data_3SAL # _entry.id 3SAL # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.281 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 3SAL RCSB RCSB065968 WWPDB D_1000065968 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 3NSS 'structure of 09N1 neuraminidase' unspecified PDB 3SAN . unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 3SAL _pdbx_database_status.recvd_initial_deposition_date 2011-06-03 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site PDBJ _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 # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Wang, M.Y.' 1 'Qi, J.X.' 2 'Liu, Y.' 3 'Vavricka, C.J.' 4 'Wu, Y.' 5 'Li, Q.' 6 'Gao, G.F.' 7 # _citation.id primary _citation.title 'Influenza a virus n5 neuraminidase has an extended 150-cavity' _citation.journal_abbrev J.Virol. _citation.journal_volume 85 _citation.page_first 8431 _citation.page_last 8435 _citation.year 2011 _citation.journal_id_ASTM JOVIAM _citation.country US _citation.journal_id_ISSN 0022-538X _citation.journal_id_CSD 0825 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 21653672 _citation.pdbx_database_id_DOI 10.1128/JVI.00638-11 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Wang, M.Y.' 1 primary 'Qi, J.X.' 2 primary 'Liu, Y.' 3 primary 'Vavricka, C.J.' 4 primary 'Wu, Y.' 5 primary 'Li, Q.' 6 primary 'Gao, G.F.' 7 # _cell.entry_id 3SAL _cell.length_a 111.513 _cell.length_b 111.513 _cell.length_c 66.465 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 8 _cell.pdbx_unique_axis ? _cell.length_a_esd ? _cell.length_b_esd ? _cell.length_c_esd ? _cell.angle_alpha_esd ? _cell.angle_beta_esd ? _cell.angle_gamma_esd ? # _symmetry.entry_id 3SAL _symmetry.space_group_name_H-M 'P 4' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 75 _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 Neuraminidase 43531.934 2 3.2.1.18 ? 'UNP residues 79-473' ? 2 non-polymer syn 'CALCIUM ION' 40.078 2 ? ? ? ? 3 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 8 ? ? ? ? 4 non-polymer man BETA-D-MANNOSE 180.156 2 ? ? ? ? 5 non-polymer syn GLYCEROL 92.094 5 ? ? ? ? 6 water nat water 18.015 945 ? ? ? ? # _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 ;PEFLNNTEPLCNVSGFAIVSKDNGIRIGSRGHVFVIREPFVACGPTECRTFFLTQGALLNDKHSNNTVKDRSPYRALMSV PLGSSPNAYQAKFESVAWSATACHDGKKWLAVGISGADDDAYAVIHYGGMPTDVVRSWRKQILRTQESSCVCMNGNCYWV MTDGPANSQASYKIFKSHEGMVTNEREVSFQGGHIEECSCYPNLGKVECVCRDNWNGMNRPILIFDEDLDYEVGYLCAGI PTDTPRVQDSSFTGSCTNAVGGSGTNNYGVKGFGFRQGNSVWAGRTVSISSRSGFEILLIEDGWIRTSKTIVKKVEVLNN KNWSGYSGAFTIPITMTSKQCLVPCFWLEMIRGKPEERTSIWTSSSSTVFCGVSSEVPGWSWDDGAILPFDIDKM ; _entity_poly.pdbx_seq_one_letter_code_can ;PEFLNNTEPLCNVSGFAIVSKDNGIRIGSRGHVFVIREPFVACGPTECRTFFLTQGALLNDKHSNNTVKDRSPYRALMSV PLGSSPNAYQAKFESVAWSATACHDGKKWLAVGISGADDDAYAVIHYGGMPTDVVRSWRKQILRTQESSCVCMNGNCYWV MTDGPANSQASYKIFKSHEGMVTNEREVSFQGGHIEECSCYPNLGKVECVCRDNWNGMNRPILIFDEDLDYEVGYLCAGI PTDTPRVQDSSFTGSCTNAVGGSGTNNYGVKGFGFRQGNSVWAGRTVSISSRSGFEILLIEDGWIRTSKTIVKKVEVLNN KNWSGYSGAFTIPITMTSKQCLVPCFWLEMIRGKPEERTSIWTSSSSTVFCGVSSEVPGWSWDDGAILPFDIDKM ; _entity_poly.pdbx_strand_id A,B _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 PRO n 1 2 GLU n 1 3 PHE n 1 4 LEU n 1 5 ASN n 1 6 ASN n 1 7 THR n 1 8 GLU n 1 9 PRO n 1 10 LEU n 1 11 CYS n 1 12 ASN n 1 13 VAL n 1 14 SER n 1 15 GLY n 1 16 PHE n 1 17 ALA n 1 18 ILE n 1 19 VAL n 1 20 SER n 1 21 LYS n 1 22 ASP n 1 23 ASN n 1 24 GLY n 1 25 ILE n 1 26 ARG n 1 27 ILE n 1 28 GLY n 1 29 SER n 1 30 ARG n 1 31 GLY n 1 32 HIS n 1 33 VAL n 1 34 PHE n 1 35 VAL n 1 36 ILE n 1 37 ARG n 1 38 GLU n 1 39 PRO n 1 40 PHE n 1 41 VAL n 1 42 ALA n 1 43 CYS n 1 44 GLY n 1 45 PRO n 1 46 THR n 1 47 GLU n 1 48 CYS n 1 49 ARG n 1 50 THR n 1 51 PHE n 1 52 PHE n 1 53 LEU n 1 54 THR n 1 55 GLN n 1 56 GLY n 1 57 ALA n 1 58 LEU n 1 59 LEU n 1 60 ASN n 1 61 ASP n 1 62 LYS n 1 63 HIS n 1 64 SER n 1 65 ASN n 1 66 ASN n 1 67 THR n 1 68 VAL n 1 69 LYS n 1 70 ASP n 1 71 ARG n 1 72 SER n 1 73 PRO n 1 74 TYR n 1 75 ARG n 1 76 ALA n 1 77 LEU n 1 78 MET n 1 79 SER n 1 80 VAL n 1 81 PRO n 1 82 LEU n 1 83 GLY n 1 84 SER n 1 85 SER n 1 86 PRO n 1 87 ASN n 1 88 ALA n 1 89 TYR n 1 90 GLN n 1 91 ALA n 1 92 LYS n 1 93 PHE n 1 94 GLU n 1 95 SER n 1 96 VAL n 1 97 ALA n 1 98 TRP n 1 99 SER n 1 100 ALA n 1 101 THR n 1 102 ALA n 1 103 CYS n 1 104 HIS n 1 105 ASP n 1 106 GLY n 1 107 LYS n 1 108 LYS n 1 109 TRP n 1 110 LEU n 1 111 ALA n 1 112 VAL n 1 113 GLY n 1 114 ILE n 1 115 SER n 1 116 GLY n 1 117 ALA n 1 118 ASP n 1 119 ASP n 1 120 ASP n 1 121 ALA n 1 122 TYR n 1 123 ALA n 1 124 VAL n 1 125 ILE n 1 126 HIS n 1 127 TYR n 1 128 GLY n 1 129 GLY n 1 130 MET n 1 131 PRO n 1 132 THR n 1 133 ASP n 1 134 VAL n 1 135 VAL n 1 136 ARG n 1 137 SER n 1 138 TRP n 1 139 ARG n 1 140 LYS n 1 141 GLN n 1 142 ILE n 1 143 LEU n 1 144 ARG n 1 145 THR n 1 146 GLN n 1 147 GLU n 1 148 SER n 1 149 SER n 1 150 CYS n 1 151 VAL n 1 152 CYS n 1 153 MET n 1 154 ASN n 1 155 GLY n 1 156 ASN n 1 157 CYS n 1 158 TYR n 1 159 TRP n 1 160 VAL n 1 161 MET n 1 162 THR n 1 163 ASP n 1 164 GLY n 1 165 PRO n 1 166 ALA n 1 167 ASN n 1 168 SER n 1 169 GLN n 1 170 ALA n 1 171 SER n 1 172 TYR n 1 173 LYS n 1 174 ILE n 1 175 PHE n 1 176 LYS n 1 177 SER n 1 178 HIS n 1 179 GLU n 1 180 GLY n 1 181 MET n 1 182 VAL n 1 183 THR n 1 184 ASN n 1 185 GLU n 1 186 ARG n 1 187 GLU n 1 188 VAL n 1 189 SER n 1 190 PHE n 1 191 GLN n 1 192 GLY n 1 193 GLY n 1 194 HIS n 1 195 ILE n 1 196 GLU n 1 197 GLU n 1 198 CYS n 1 199 SER n 1 200 CYS n 1 201 TYR n 1 202 PRO n 1 203 ASN n 1 204 LEU n 1 205 GLY n 1 206 LYS n 1 207 VAL n 1 208 GLU n 1 209 CYS n 1 210 VAL n 1 211 CYS n 1 212 ARG n 1 213 ASP n 1 214 ASN n 1 215 TRP n 1 216 ASN n 1 217 GLY n 1 218 MET n 1 219 ASN n 1 220 ARG n 1 221 PRO n 1 222 ILE n 1 223 LEU n 1 224 ILE n 1 225 PHE n 1 226 ASP n 1 227 GLU n 1 228 ASP n 1 229 LEU n 1 230 ASP n 1 231 TYR n 1 232 GLU n 1 233 VAL n 1 234 GLY n 1 235 TYR n 1 236 LEU n 1 237 CYS n 1 238 ALA n 1 239 GLY n 1 240 ILE n 1 241 PRO n 1 242 THR n 1 243 ASP n 1 244 THR n 1 245 PRO n 1 246 ARG n 1 247 VAL n 1 248 GLN n 1 249 ASP n 1 250 SER n 1 251 SER n 1 252 PHE n 1 253 THR n 1 254 GLY n 1 255 SER n 1 256 CYS n 1 257 THR n 1 258 ASN n 1 259 ALA n 1 260 VAL n 1 261 GLY n 1 262 GLY n 1 263 SER n 1 264 GLY n 1 265 THR n 1 266 ASN n 1 267 ASN n 1 268 TYR n 1 269 GLY n 1 270 VAL n 1 271 LYS n 1 272 GLY n 1 273 PHE n 1 274 GLY n 1 275 PHE n 1 276 ARG n 1 277 GLN n 1 278 GLY n 1 279 ASN n 1 280 SER n 1 281 VAL n 1 282 TRP n 1 283 ALA n 1 284 GLY n 1 285 ARG n 1 286 THR n 1 287 VAL n 1 288 SER n 1 289 ILE n 1 290 SER n 1 291 SER n 1 292 ARG n 1 293 SER n 1 294 GLY n 1 295 PHE n 1 296 GLU n 1 297 ILE n 1 298 LEU n 1 299 LEU n 1 300 ILE n 1 301 GLU n 1 302 ASP n 1 303 GLY n 1 304 TRP n 1 305 ILE n 1 306 ARG n 1 307 THR n 1 308 SER n 1 309 LYS n 1 310 THR n 1 311 ILE n 1 312 VAL n 1 313 LYS n 1 314 LYS n 1 315 VAL n 1 316 GLU n 1 317 VAL n 1 318 LEU n 1 319 ASN n 1 320 ASN n 1 321 LYS n 1 322 ASN n 1 323 TRP n 1 324 SER n 1 325 GLY n 1 326 TYR n 1 327 SER n 1 328 GLY n 1 329 ALA n 1 330 PHE n 1 331 THR n 1 332 ILE n 1 333 PRO n 1 334 ILE n 1 335 THR n 1 336 MET n 1 337 THR n 1 338 SER n 1 339 LYS n 1 340 GLN n 1 341 CYS n 1 342 LEU n 1 343 VAL n 1 344 PRO n 1 345 CYS n 1 346 PHE n 1 347 TRP n 1 348 LEU n 1 349 GLU n 1 350 MET n 1 351 ILE n 1 352 ARG n 1 353 GLY n 1 354 LYS n 1 355 PRO n 1 356 GLU n 1 357 GLU n 1 358 ARG n 1 359 THR n 1 360 SER n 1 361 ILE n 1 362 TRP n 1 363 THR n 1 364 SER n 1 365 SER n 1 366 SER n 1 367 SER n 1 368 THR n 1 369 VAL n 1 370 PHE n 1 371 CYS n 1 372 GLY n 1 373 VAL n 1 374 SER n 1 375 SER n 1 376 GLU n 1 377 VAL n 1 378 PRO n 1 379 GLY n 1 380 TRP n 1 381 SER n 1 382 TRP n 1 383 ASP n 1 384 ASP n 1 385 GLY n 1 386 ALA n 1 387 ILE n 1 388 LEU n 1 389 PRO n 1 390 PHE n 1 391 ASP n 1 392 ILE n 1 393 ASP n 1 394 LYS n 1 395 MET 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 NA _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain 'A/duck/Alberta/60/1976(H12N5)' _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 'Influenza A virus' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 385582 _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 'Spodoptera frugiperda' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 7108 _entity_src_gen.host_org_genus ? _entity_src_gen.pdbx_host_org_gene ? _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species ? _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain ? _entity_src_gen.pdbx_host_org_variant ? _entity_src_gen.pdbx_host_org_cell_line SF9 _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 baculovirus _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name pFastBac1 _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code A1ILL9_I76A2 _struct_ref.pdbx_db_accession A1ILL9 _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;PEFLNNTEPLCNVSGFAIVSKDNGIRIGSRGHVFVIREPFVACGPTECRTFFLTQGALLNDKHSNNTVKDRSPYRALMSV PLGSSPNAYQAKFESVAWSATACHDGKKWLAVGISGADDDAYAVIHYGGMPTDVVRSWRKQILRTQESSCVCMNGNCYWV MTDGPANSQASYKIFKSHEGMVTNEREVSFQGGHIEECSCYPNLGKVECVCRDNWNGMNRPILIFDEDLDYEVGYLCAGI PTDTPRVQDSSFTGSCTNAVGGSGTNNYGVKGFGFRQGNSVWAGRTVSISSRSGFEILLIEDGWIRTSKTIVKKVEVLNN KNWSGYSGAFTIPITMTSKQCLVPCFWLEMIRGKPEERTSIWTSSSSTVFCGVSSEVPGWSWDDGAILPFDIDKM ; _struct_ref.pdbx_align_begin 79 _struct_ref.pdbx_db_isoform ? # loop_ _struct_ref_seq.align_id _struct_ref_seq.ref_id _struct_ref_seq.pdbx_PDB_id_code _struct_ref_seq.pdbx_strand_id _struct_ref_seq.seq_align_beg _struct_ref_seq.pdbx_seq_align_beg_ins_code _struct_ref_seq.seq_align_end _struct_ref_seq.pdbx_seq_align_end_ins_code _struct_ref_seq.pdbx_db_accession _struct_ref_seq.db_align_beg _struct_ref_seq.pdbx_db_align_beg_ins_code _struct_ref_seq.db_align_end _struct_ref_seq.pdbx_db_align_end_ins_code _struct_ref_seq.pdbx_auth_seq_align_beg _struct_ref_seq.pdbx_auth_seq_align_end 1 1 3SAL A 1 ? 395 ? A1ILL9 79 ? 473 ? 82 471 2 1 3SAL B 1 ? 395 ? A1ILL9 79 ? 473 ? 82 471 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 BMA D-saccharide . BETA-D-MANNOSE ? 'C6 H12 O6' 180.156 CA non-polymer . 'CALCIUM ION' ? 'Ca 2' 40.078 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 GOL non-polymer . GLYCEROL 'GLYCERIN; PROPANE-1,2,3-TRIOL' 'C3 H8 O3' 92.094 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.entry_id 3SAL _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.37 _exptl_crystal.density_percent_sol 48.17 _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.temp 291 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 7.5 _exptl_crystal_grow.pdbx_details '0.1M HEPES (pH 7.5), 12% w/v Polyethylene glycol 3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K' _exptl_crystal_grow.pdbx_pH_range . # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'ADSC QUANTUM 270' _diffrn_detector.pdbx_collection_date 2010-12-11 _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator GRAPHITE _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.98 _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_synchrotron_site 'Photon Factory' _diffrn_source.pdbx_synchrotron_beamline AR-NE3A _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 0.98 # _reflns.entry_id 3SAL _reflns.observed_criterion_sigma_I 2.0 _reflns.observed_criterion_sigma_F 2.0 _reflns.d_resolution_low 50 _reflns.d_resolution_high 1.5 _reflns.number_obs 130228 _reflns.number_all ? _reflns.percent_possible_obs 99.7 _reflns.pdbx_Rmerge_I_obs 0.083 _reflns.pdbx_Rsym_value 0.083 _reflns.pdbx_netI_over_sigmaI 21.9 _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy 6.4 _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # _reflns_shell.d_res_high 1.5 _reflns_shell.d_res_low 1.55 _reflns_shell.percent_possible_all 98.0 _reflns_shell.Rmerge_I_obs ? _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs ? _reflns_shell.pdbx_redundancy ? _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all ? _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_unique_obs ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_rejects ? _reflns_shell.pdbx_netI_over_sigmaI_obs ? _reflns_shell.number_possible ? _reflns_shell.Rmerge_F_all ? _reflns_shell.Rmerge_F_obs ? _reflns_shell.Rmerge_I_all ? _reflns_shell.meanI_over_sigI_all ? _reflns_shell.pdbx_Rrim_I_all ? _reflns_shell.pdbx_Rpim_I_all ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 # _refine.entry_id 3SAL _refine.ls_number_reflns_obs 125014 _refine.ls_number_reflns_all 130228 _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 2 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 37.171 _refine.ls_d_res_high 1.50 _refine.ls_percent_reflns_obs 95.71 _refine.ls_R_factor_obs 0.1279 _refine.ls_R_factor_all 0.1279 _refine.ls_R_factor_R_work 0.1260 _refine.ls_R_factor_R_free 0.1640 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.03 _refine.ls_number_reflns_R_free 6290 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.B_iso_mean 17.4810 _refine.aniso_B[1][1] 1.4557 _refine.aniso_B[2][2] 1.4557 _refine.aniso_B[3][3] -2.9114 _refine.aniso_B[1][2] 0.0000 _refine.aniso_B[1][3] -0.0000 _refine.aniso_B[2][3] 0.0000 _refine.solvent_model_details 'FLAT BULK SOLVENT MODEL' _refine.solvent_model_param_ksol 0.353 _refine.solvent_model_param_bsol 40.974 _refine.pdbx_solvent_vdw_probe_radii 1.11 _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii 0.90 _refine.pdbx_ls_cross_valid_method ? _refine.details ? _refine.pdbx_starting_model 'PDB ENTRY 3NSS' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values ML _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML 0.17 _refine.pdbx_overall_phase_error 14.22 _refine.overall_SU_B ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_work_R_set 0.9242 _refine.pdbx_diffrn_id 1 _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.overall_FOM_free_R_set ? _refine.pdbx_overall_ESU_R ? _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 6084 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 166 _refine_hist.number_atoms_solvent 945 _refine_hist.number_atoms_total 7195 _refine_hist.d_res_high 1.50 _refine_hist.d_res_low 37.171 # 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_restraint_function _refine_ls_restr.pdbx_refine_id f_bond_d 0.004 ? ? 6480 ? 'X-RAY DIFFRACTION' f_angle_d 0.949 ? ? 8786 ? 'X-RAY DIFFRACTION' f_dihedral_angle_d 23.655 ? ? 2347 ? 'X-RAY DIFFRACTION' f_chiral_restr 0.066 ? ? 967 ? 'X-RAY DIFFRACTION' f_plane_restr 0.003 ? ? 1116 ? 'X-RAY DIFFRACTION' # loop_ _refine_ls_shell.pdbx_refine_id _refine_ls_shell.pdbx_total_number_of_bins_used _refine_ls_shell.d_res_high _refine_ls_shell.d_res_low _refine_ls_shell.number_reflns_R_work _refine_ls_shell.R_factor_R_work _refine_ls_shell.percent_reflns_obs _refine_ls_shell.R_factor_R_free _refine_ls_shell.R_factor_R_free_error _refine_ls_shell.percent_reflns_R_free _refine_ls_shell.number_reflns_R_free _refine_ls_shell.number_reflns_all _refine_ls_shell.R_factor_all _refine_ls_shell.number_reflns_obs _refine_ls_shell.redundancy_reflns_obs 'X-RAY DIFFRACTION' . 1.4994 1.5164 3278 0.1924 79.00 0.2476 . . 188 . . . . 'X-RAY DIFFRACTION' . 1.5164 1.5343 3550 0.1529 87.00 0.2142 . . 209 . . . . 'X-RAY DIFFRACTION' . 1.5343 1.5530 3641 0.1373 88.00 0.1957 . . 189 . . . . 'X-RAY DIFFRACTION' . 1.5530 1.5726 3697 0.1289 91.00 0.1845 . . 209 . . . . 'X-RAY DIFFRACTION' . 1.5726 1.5933 3731 0.1266 91.00 0.1855 . . 219 . . . . 'X-RAY DIFFRACTION' . 1.5933 1.6151 3772 0.1243 92.00 0.2010 . . 208 . . . . 'X-RAY DIFFRACTION' . 1.6151 1.6382 3825 0.1235 93.00 0.1806 . . 209 . . . . 'X-RAY DIFFRACTION' . 1.6382 1.6627 3876 0.1102 93.00 0.1744 . . 216 . . . . 'X-RAY DIFFRACTION' . 1.6627 1.6887 3865 0.1075 94.00 0.1633 . . 184 . . . . 'X-RAY DIFFRACTION' . 1.6887 1.7163 3915 0.1052 95.00 0.1699 . . 202 . . . . 'X-RAY DIFFRACTION' . 1.7163 1.7459 3926 0.0967 95.00 0.1732 . . 193 . . . . 'X-RAY DIFFRACTION' . 1.7459 1.7777 3968 0.0955 96.00 0.1491 . . 212 . . . . 'X-RAY DIFFRACTION' . 1.7777 1.8119 3911 0.0965 96.00 0.1513 . . 212 . . . . 'X-RAY DIFFRACTION' . 1.8119 1.8489 4036 0.0943 97.00 0.1400 . . 218 . . . . 'X-RAY DIFFRACTION' . 1.8489 1.8891 4020 0.0938 97.00 0.1536 . . 210 . . . . 'X-RAY DIFFRACTION' . 1.8891 1.9330 4024 0.0998 98.00 0.1473 . . 199 . . . . 'X-RAY DIFFRACTION' . 1.9330 1.9813 4055 0.0928 98.00 0.1328 . . 201 . . . . 'X-RAY DIFFRACTION' . 1.9813 2.0349 4098 0.0936 99.00 0.1360 . . 210 . . . . 'X-RAY DIFFRACTION' . 2.0349 2.0948 4101 0.0985 99.00 0.1341 . . 190 . . . . 'X-RAY DIFFRACTION' . 2.0948 2.1624 4065 0.1015 99.00 0.1383 . . 210 . . . . 'X-RAY DIFFRACTION' . 2.1624 2.2397 4070 0.1064 99.00 0.1465 . . 240 . . . . 'X-RAY DIFFRACTION' . 2.2397 2.3293 4082 0.1144 99.00 0.1561 . . 231 . . . . 'X-RAY DIFFRACTION' . 2.3293 2.4353 4099 0.1251 99.00 0.1757 . . 230 . . . . 'X-RAY DIFFRACTION' . 2.4353 2.5637 4104 0.1287 99.00 0.1777 . . 227 . . . . 'X-RAY DIFFRACTION' . 2.5637 2.7242 4124 0.1362 99.00 0.1764 . . 198 . . . . 'X-RAY DIFFRACTION' . 2.7242 2.9345 4176 0.1320 100.00 0.1622 . . 193 . . . . 'X-RAY DIFFRACTION' . 2.9345 3.2297 4128 0.1321 100.00 0.1637 . . 225 . . . . 'X-RAY DIFFRACTION' . 3.2297 3.6966 4200 0.1228 100.00 0.1591 . . 195 . . . . 'X-RAY DIFFRACTION' . 3.6966 4.6560 4135 0.1173 99.00 0.1293 . . 233 . . . . 'X-RAY DIFFRACTION' . 4.6560 37.1824 4252 0.1600 100.00 0.1623 . . 230 . . . . # _struct.entry_id 3SAL _struct.title 'Crystal Structure of Influenza A Virus Neuraminidase N5' _struct.pdbx_descriptor 'Neuraminidase (E.C.3.2.1.18)' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 3SAL _struct_keywords.pdbx_keywords HYDROLASE _struct_keywords.text '6-BLADED BETA-PROPELLER, HYDROLASE, CALCIUM BINDING, GLYCOSYLATION' # 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 1 ? C N N 2 ? D N N 3 ? E N N 3 ? F N N 3 ? G N N 3 ? H N N 4 ? I N N 5 ? J N N 5 ? K N N 5 ? L N N 2 ? M N N 3 ? N N N 3 ? O N N 3 ? P N N 3 ? Q N N 4 ? R N N 5 ? S N N 5 ? T N N 6 ? U N N 6 ? # _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 ASN A 23 ? GLY A 28 ? ASN A 104 GLY A 109 1 ? 6 HELX_P HELX_P2 2 ASP A 61 ? ASN A 65 ? ASP A 142 ASN A 146 5 ? 5 HELX_P HELX_P3 3 GLN A 248 ? PHE A 252 ? GLN A 329 PHE A 333 5 ? 5 HELX_P HELX_P4 4 PHE A 390 ? LYS A 394 ? PHE A 466 LYS A 470 5 ? 5 HELX_P HELX_P5 5 ASN B 23 ? SER B 29 ? ASN B 104 SER B 110 1 ? 7 HELX_P HELX_P6 6 ASP B 61 ? ASN B 65 ? ASP B 142 ASN B 146 5 ? 5 HELX_P HELX_P7 7 GLN B 248 ? PHE B 252 ? GLN B 329 PHE B 333 5 ? 5 HELX_P HELX_P8 8 PRO B 333 ? SER B 338 ? PRO B 413 SER B 414 1 ? 6 HELX_P HELX_P9 9 PHE B 390 ? LYS B 394 ? PHE B 466 LYS B 470 5 ? 5 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 11 SG ? ? ? 1_555 A CYS 341 SG ? ? A CYS 92 A CYS 417 1_555 ? ? ? ? ? ? ? 2.044 ? disulf2 disulf ? ? A CYS 43 SG ? ? ? 1_555 A CYS 48 SG ? ? A CYS 124 A CYS 129 1_555 ? ? ? ? ? ? ? 2.035 ? disulf3 disulf ? ? A CYS 103 SG ? ? ? 1_555 A CYS 150 SG ? ? A CYS 183 A CYS 230 1_555 ? ? ? ? ? ? ? 2.033 ? disulf4 disulf ? ? A CYS 152 SG ? ? ? 1_555 A CYS 157 SG ? ? A CYS 232 A CYS 237 1_555 ? ? ? ? ? ? ? 2.044 ? disulf5 disulf ? ? A CYS 198 SG ? ? ? 1_555 A CYS 211 SG ? ? A CYS 278 A CYS 291 1_555 ? ? ? ? ? ? ? 2.062 ? disulf6 disulf ? ? A CYS 200 SG ? ? ? 1_555 A CYS 209 SG ? ? A CYS 280 A CYS 289 1_555 ? ? ? ? ? ? ? 2.046 ? disulf7 disulf ? ? A CYS 237 SG ? ? ? 1_555 A CYS 256 SG ? ? A CYS 318 A CYS 337 1_555 ? ? ? ? ? ? ? 2.036 ? disulf8 disulf ? ? A CYS 345 SG ? ? ? 1_555 A CYS 371 SG ? ? A CYS 421 A CYS 447 1_555 ? ? ? ? ? ? ? 2.038 ? disulf9 disulf ? ? B CYS 11 SG ? ? ? 1_555 B CYS 341 SG ? ? B CYS 92 B CYS 417 1_555 ? ? ? ? ? ? ? 2.041 ? disulf10 disulf ? ? B CYS 43 SG ? ? ? 1_555 B CYS 48 SG ? ? B CYS 124 B CYS 129 1_555 ? ? ? ? ? ? ? 2.031 ? disulf11 disulf ? ? B CYS 103 SG ? ? ? 1_555 B CYS 150 SG ? ? B CYS 183 B CYS 230 1_555 ? ? ? ? ? ? ? 2.031 ? disulf12 disulf ? ? B CYS 152 SG ? ? ? 1_555 B CYS 157 SG ? ? B CYS 232 B CYS 237 1_555 ? ? ? ? ? ? ? 2.042 ? disulf13 disulf ? ? B CYS 198 SG ? ? ? 1_555 B CYS 211 SG ? ? B CYS 278 B CYS 291 1_555 ? ? ? ? ? ? ? 2.063 ? disulf14 disulf ? ? B CYS 200 SG ? ? ? 1_555 B CYS 209 SG ? ? B CYS 280 B CYS 289 1_555 ? ? ? ? ? ? ? 2.048 ? disulf15 disulf ? ? B CYS 237 SG ? ? ? 1_555 B CYS 256 SG ? ? B CYS 318 B CYS 337 1_555 ? ? ? ? ? ? ? 2.041 ? disulf16 disulf ? ? B CYS 345 SG ? ? ? 1_555 B CYS 371 SG ? ? B CYS 421 B CYS 447 1_555 ? ? ? ? ? ? ? 2.038 ? covale1 covale ? ? F NAG . O4 ? ? ? 1_555 G NAG . C1 ? ? A NAG 803 A NAG 804 1_555 ? ? ? ? ? ? ? 1.437 ? covale2 covale ? ? P NAG . O4 ? ? ? 1_555 Q BMA . C1 ? ? B NAG 804 B BMA 805 1_555 ? ? ? ? ? ? ? 1.439 ? covale3 covale ? ? B ASN 12 ND2 ? ? ? 1_555 M NAG . C1 ? ? B ASN 93 B NAG 801 1_555 ? ? ? ? ? ? ? 1.439 ? covale4 covale ? ? D NAG . O4 ? ? ? 1_555 E NAG . C1 ? ? A NAG 801 A NAG 802 1_555 ? ? ? ? ? ? ? 1.440 ? covale5 covale ? ? M NAG . O4 ? ? ? 1_555 N NAG . C1 ? ? B NAG 801 B NAG 802 1_555 ? ? ? ? ? ? ? 1.440 ? covale6 covale ? ? A ASN 65 ND2 ? ? ? 1_555 F NAG . C1 ? ? A ASN 146 A NAG 803 1_555 ? ? ? ? ? ? ? 1.441 ? covale7 covale ? ? G NAG . O4 ? ? ? 1_555 H BMA . C1 ? ? A NAG 804 A BMA 805 1_555 ? ? ? ? ? ? ? 1.441 ? covale8 covale ? ? A ASN 12 ND2 ? ? ? 1_555 D NAG . C1 ? ? A ASN 93 A NAG 801 1_555 ? ? ? ? ? ? ? 1.441 ? covale9 covale ? ? O NAG . O4 ? ? ? 1_555 P NAG . C1 ? ? B NAG 803 B NAG 804 1_555 ? ? ? ? ? ? ? 1.442 ? covale10 covale ? ? B ASN 65 ND2 ? ? ? 1_555 O NAG . C1 ? ? B ASN 146 B NAG 803 1_555 ? ? ? ? ? ? ? 1.443 ? metalc1 metalc ? ? B ASP 213 O ? ? ? 1_555 L CA . CA ? ? B ASP 293 B CA 601 1_555 ? ? ? ? ? ? ? 2.358 ? metalc2 metalc ? ? A ASP 243 OD2 ? ? ? 1_555 C CA . CA ? ? A ASP 324 A CA 601 1_555 ? ? ? ? ? ? ? 2.375 ? metalc3 metalc ? ? B ASP 243 OD2 ? ? ? 1_555 L CA . CA ? ? B ASP 324 B CA 601 1_555 ? ? ? ? ? ? ? 2.378 ? metalc4 metalc ? ? A ASP 213 O ? ? ? 1_555 C CA . CA ? ? A ASP 293 A CA 601 1_555 ? ? ? ? ? ? ? 2.379 ? metalc5 metalc ? ? B TYR 268 O ? ? ? 1_555 L CA . CA ? ? B TYR 347 B CA 601 1_555 ? ? ? ? ? ? ? 2.414 ? metalc6 metalc ? ? A TYR 268 O ? ? ? 1_555 C CA . CA ? ? A TYR 347 A CA 601 1_555 ? ? ? ? ? ? ? 2.427 ? metalc7 metalc ? ? B GLY 217 O ? ? ? 1_555 L CA . CA ? ? B GLY 297 B CA 601 1_555 ? ? ? ? ? ? ? 2.438 ? metalc8 metalc ? ? A GLY 217 O ? ? ? 1_555 C CA . CA ? ? A GLY 297 A CA 601 1_555 ? ? ? ? ? ? ? 2.459 ? metalc9 metalc ? ? L CA . CA ? ? ? 1_555 U HOH . O ? ? B CA 601 B HOH 45 1_555 ? ? ? ? ? ? ? 2.484 ? metalc10 metalc ? ? C CA . CA ? ? ? 1_555 T HOH . O ? ? A CA 601 A HOH 9 1_555 ? ? ? ? ? ? ? 2.497 ? metalc11 metalc ? ? L CA . CA ? ? ? 1_555 U HOH . O ? ? B CA 601 B HOH 6 1_555 ? ? ? ? ? ? ? 2.510 ? metalc12 metalc ? ? C CA . CA ? ? ? 1_555 T HOH . O ? ? A CA 601 A HOH 11 1_555 ? ? ? ? ? ? ? 2.529 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? metalc ? ? # 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 THR 244 A . ? THR 325 A PRO 245 A ? PRO 326 A 1 6.06 2 LYS 354 A . ? LYS 430 A PRO 355 A ? PRO 431 A 1 3.59 3 LEU 388 A . ? LEU 464 A PRO 389 A ? PRO 465 A 1 -1.00 4 THR 244 B . ? THR 325 B PRO 245 B ? PRO 326 B 1 4.55 5 LYS 354 B . ? LYS 430 B PRO 355 B ? PRO 431 B 1 4.72 6 LEU 388 B . ? LEU 464 B PRO 389 B ? PRO 465 B 1 -0.08 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 4 ? B ? 3 ? C ? 4 ? D ? 4 ? E ? 4 ? F ? 4 ? G ? 4 ? H ? 4 ? I ? 3 ? J ? 4 ? K ? 4 ? L ? 4 ? M ? 4 ? N ? 4 ? # 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 ? anti-parallel B 2 3 ? anti-parallel C 1 2 ? anti-parallel C 2 3 ? anti-parallel C 3 4 ? anti-parallel D 1 2 ? anti-parallel D 2 3 ? anti-parallel D 3 4 ? anti-parallel E 1 2 ? anti-parallel E 2 3 ? anti-parallel E 3 4 ? anti-parallel F 1 2 ? anti-parallel F 2 3 ? anti-parallel F 3 4 ? anti-parallel G 1 2 ? anti-parallel G 2 3 ? anti-parallel G 3 4 ? anti-parallel H 1 2 ? anti-parallel H 2 3 ? anti-parallel H 3 4 ? anti-parallel I 1 2 ? anti-parallel I 2 3 ? anti-parallel J 1 2 ? anti-parallel J 2 3 ? anti-parallel J 3 4 ? anti-parallel K 1 2 ? anti-parallel K 2 3 ? anti-parallel K 3 4 ? anti-parallel L 1 2 ? anti-parallel L 2 3 ? anti-parallel L 3 4 ? anti-parallel M 1 2 ? anti-parallel M 2 3 ? anti-parallel M 3 4 ? anti-parallel N 1 2 ? anti-parallel N 2 3 ? anti-parallel N 3 4 ? 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 GLY A 15 ? LYS A 21 ? GLY A 96 LYS A 102 A 2 THR A 363 ? VAL A 373 ? THR A 439 VAL A 449 A 3 VAL A 343 ? GLY A 353 ? VAL A 419 GLY A 429 A 4 SER A 327 ? ILE A 332 ? SER A 407 ILE A 412 B 1 PHE A 34 ? ARG A 37 ? PHE A 115 ARG A 118 B 2 CYS A 48 ? LEU A 58 ? CYS A 129 LEU A 139 B 3 VAL A 41 ? CYS A 43 ? VAL A 122 CYS A 124 C 1 PHE A 34 ? ARG A 37 ? PHE A 115 ARG A 118 C 2 CYS A 48 ? LEU A 58 ? CYS A 129 LEU A 139 C 3 ALA A 76 ? PRO A 81 ? ALA A 157 PRO A 162 C 4 LYS A 92 ? VAL A 96 ? LYS A 172 VAL A 176 D 1 SER A 99 ? HIS A 104 ? SER A 179 HIS A 184 D 2 TRP A 109 ? SER A 115 ? TRP A 189 SER A 195 D 3 TYR A 122 ? TYR A 127 ? TYR A 202 TYR A 207 D 4 MET A 130 ? ARG A 136 ? MET A 210 ARG A 216 E 1 VAL A 151 ? MET A 153 ? VAL A 231 MET A 233 E 2 ASN A 156 ? ASP A 163 ? ASN A 236 ASP A 243 E 3 SER A 171 ? HIS A 178 ? SER A 251 HIS A 258 E 4 MET A 181 ? VAL A 188 ? MET A 261 VAL A 268 F 1 GLU A 196 ? ASN A 203 ? GLU A 276 ASN A 283 F 2 LYS A 206 ? ARG A 212 ? LYS A 286 ARG A 292 F 3 PRO A 221 ? PHE A 225 ? PRO A 301 PHE A 305 F 4 TYR A 231 ? TYR A 235 ? TYR A 312 TYR A 316 G 1 GLY A 274 ? GLN A 277 ? GLY A 353 GLN A 356 G 2 SER A 280 ? ARG A 285 ? SER A 359 ARG A 364 G 3 SER A 293 ? ILE A 300 ? SER A 372 ILE A 379 G 4 ILE A 311 ? TRP A 323 ? ILE A 391 TRP A 403 H 1 GLY B 15 ? LYS B 21 ? GLY B 96 LYS B 102 H 2 THR B 363 ? VAL B 373 ? THR B 439 VAL B 449 H 3 VAL B 343 ? GLY B 353 ? VAL B 419 GLY B 429 H 4 SER B 327 ? ILE B 332 ? SER B 407 ILE B 412 I 1 PHE B 34 ? ARG B 37 ? PHE B 115 ARG B 118 I 2 CYS B 48 ? LEU B 58 ? CYS B 129 LEU B 139 I 3 VAL B 41 ? CYS B 43 ? VAL B 122 CYS B 124 J 1 PHE B 34 ? ARG B 37 ? PHE B 115 ARG B 118 J 2 CYS B 48 ? LEU B 58 ? CYS B 129 LEU B 139 J 3 ALA B 76 ? PRO B 81 ? ALA B 157 PRO B 162 J 4 LYS B 92 ? VAL B 96 ? LYS B 172 VAL B 176 K 1 SER B 99 ? HIS B 104 ? SER B 179 HIS B 184 K 2 TRP B 109 ? SER B 115 ? TRP B 189 SER B 195 K 3 TYR B 122 ? TYR B 127 ? TYR B 202 TYR B 207 K 4 MET B 130 ? ARG B 136 ? MET B 210 ARG B 216 L 1 VAL B 151 ? MET B 153 ? VAL B 231 MET B 233 L 2 ASN B 156 ? ASP B 163 ? ASN B 236 ASP B 243 L 3 SER B 171 ? HIS B 178 ? SER B 251 HIS B 258 L 4 MET B 181 ? VAL B 188 ? MET B 261 VAL B 268 M 1 GLU B 196 ? ASN B 203 ? GLU B 276 ASN B 283 M 2 LYS B 206 ? ARG B 212 ? LYS B 286 ARG B 292 M 3 PRO B 221 ? PHE B 225 ? PRO B 301 PHE B 305 M 4 TYR B 231 ? TYR B 235 ? TYR B 312 TYR B 316 N 1 GLY B 274 ? GLN B 277 ? GLY B 353 GLN B 356 N 2 SER B 280 ? ARG B 285 ? SER B 359 ARG B 364 N 3 SER B 293 ? ILE B 300 ? SER B 372 ILE B 379 N 4 ILE B 311 ? TRP B 323 ? ILE B 391 TRP B 403 # 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 VAL A 19 ? N VAL A 100 O VAL A 369 ? O VAL A 445 A 2 3 O GLY A 372 ? O GLY A 448 N PRO A 344 ? N PRO A 420 A 3 4 O CYS A 345 ? O CYS A 421 N PHE A 330 ? N PHE A 410 B 1 2 N VAL A 35 ? N VAL A 116 O ALA A 57 ? O ALA A 138 B 2 3 O ARG A 49 ? O ARG A 130 N ALA A 42 ? N ALA A 123 C 1 2 N VAL A 35 ? N VAL A 116 O ALA A 57 ? O ALA A 138 C 2 3 N THR A 54 ? N THR A 135 O ALA A 76 ? O ALA A 157 C 3 4 N LEU A 77 ? N LEU A 158 O SER A 95 ? O SER A 175 D 1 2 N CYS A 103 ? N CYS A 183 O LEU A 110 ? O LEU A 190 D 2 3 N ALA A 111 ? N ALA A 191 O HIS A 126 ? O HIS A 206 D 3 4 N TYR A 127 ? N TYR A 207 O MET A 130 ? O MET A 210 E 1 2 N VAL A 151 ? N VAL A 231 O TYR A 158 ? O TYR A 238 E 2 3 N MET A 161 ? N MET A 241 O LYS A 173 ? O LYS A 253 E 3 4 N TYR A 172 ? N TYR A 252 O VAL A 188 ? O VAL A 268 F 1 2 N TYR A 201 ? N TYR A 281 O GLU A 208 ? O GLU A 288 F 2 3 N VAL A 207 ? N VAL A 287 O PHE A 225 ? O PHE A 305 F 3 4 N ILE A 224 ? N ILE A 304 O GLU A 232 ? O GLU A 313 G 1 2 N GLN A 277 ? N GLN A 356 O SER A 280 ? O SER A 359 G 2 3 N VAL A 281 ? N VAL A 360 O ILE A 300 ? O ILE A 379 G 3 4 N PHE A 295 ? N PHE A 374 O LEU A 318 ? O LEU A 398 H 1 2 N VAL B 19 ? N VAL B 100 O VAL B 369 ? O VAL B 445 H 2 3 O SER B 364 ? O SER B 440 N ARG B 352 ? N ARG B 428 H 3 4 O CYS B 345 ? O CYS B 421 N PHE B 330 ? N PHE B 410 I 1 2 N VAL B 35 ? N VAL B 116 O ALA B 57 ? O ALA B 138 I 2 3 O ARG B 49 ? O ARG B 130 N ALA B 42 ? N ALA B 123 J 1 2 N VAL B 35 ? N VAL B 116 O ALA B 57 ? O ALA B 138 J 2 3 N THR B 50 ? N THR B 131 O VAL B 80 ? O VAL B 161 J 3 4 N LEU B 77 ? N LEU B 158 O SER B 95 ? O SER B 175 K 1 2 N CYS B 103 ? N CYS B 183 O LEU B 110 ? O LEU B 190 K 2 3 N ALA B 111 ? N ALA B 191 O HIS B 126 ? O HIS B 206 K 3 4 N ALA B 123 ? N ALA B 203 O VAL B 135 ? O VAL B 215 L 1 2 N VAL B 151 ? N VAL B 231 O TYR B 158 ? O TYR B 238 L 2 3 N TRP B 159 ? N TRP B 239 O PHE B 175 ? O PHE B 255 L 3 4 N TYR B 172 ? N TYR B 252 O VAL B 188 ? O VAL B 268 M 1 2 N TYR B 201 ? N TYR B 281 O GLU B 208 ? O GLU B 288 M 2 3 N VAL B 207 ? N VAL B 287 O PHE B 225 ? O PHE B 305 M 3 4 N ILE B 224 ? N ILE B 304 O GLU B 232 ? O GLU B 313 N 1 2 N GLN B 277 ? N GLN B 356 O SER B 280 ? O SER B 359 N 2 3 N VAL B 281 ? N VAL B 360 O ILE B 300 ? O ILE B 379 N 3 4 N LEU B 299 ? N LEU B 378 O LYS B 313 ? O LYS B 393 # 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 ? ? ? ? 6 'BINDING SITE FOR RESIDUE CA A 601' AC2 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG A 801' AC3 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 802' AC4 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG A 803' AC5 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE NAG A 804' AC6 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE BMA A 805' AC7 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE GOL A 1' AC8 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE GOL A 472' AC9 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE GOL A 473' BC1 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE CA B 601' BC2 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG B 801' BC3 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG B 802' BC4 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE NAG B 803' BC5 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG B 804' BC6 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE BMA B 805' BC7 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE GOL B 1' BC8 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE GOL B 472' # 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 6 HOH T . ? HOH A 9 . ? 1_555 ? 2 AC1 6 HOH T . ? HOH A 11 . ? 1_555 ? 3 AC1 6 ASP A 213 ? ASP A 293 . ? 1_555 ? 4 AC1 6 GLY A 217 ? GLY A 297 . ? 1_555 ? 5 AC1 6 ASP A 243 ? ASP A 324 . ? 1_555 ? 6 AC1 6 TYR A 268 ? TYR A 347 . ? 1_555 ? 7 AC2 5 LEU A 10 ? LEU A 91 . ? 1_555 ? 8 AC2 5 ASN A 12 ? ASN A 93 . ? 1_555 ? 9 AC2 5 HOH T . ? HOH A 574 . ? 1_555 ? 10 AC2 5 HOH T . ? HOH A 745 . ? 1_555 ? 11 AC2 5 NAG E . ? NAG A 802 . ? 1_555 ? 12 AC3 4 ASN A 279 ? ASN A 358 . ? 1_555 ? 13 AC3 4 HOH T . ? HOH A 780 . ? 1_555 ? 14 AC3 4 NAG D . ? NAG A 801 . ? 1_555 ? 15 AC3 4 HOH T . ? HOH A 875 . ? 1_555 ? 16 AC4 6 ASN A 65 ? ASN A 146 . ? 1_555 ? 17 AC4 6 HOH T . ? HOH A 731 . ? 1_555 ? 18 AC4 6 HOH T . ? HOH A 754 . ? 1_555 ? 19 AC4 6 HOH T . ? HOH A 761 . ? 1_555 ? 20 AC4 6 NAG G . ? NAG A 804 . ? 1_555 ? 21 AC4 6 HOH T . ? HOH A 836 . ? 1_555 ? 22 AC5 2 NAG F . ? NAG A 803 . ? 1_555 ? 23 AC5 2 BMA H . ? BMA A 805 . ? 1_555 ? 24 AC6 1 NAG G . ? NAG A 804 . ? 1_555 ? 25 AC7 8 PHE A 34 ? PHE A 115 . ? 4_555 ? 26 AC7 8 SER A 84 A SER A 164 . ? 1_555 ? 27 AC7 8 SER A 85 ? SER A 165 . ? 1_555 ? 28 AC7 8 ASN A 87 ? ASN A 167 . ? 1_555 ? 29 AC7 8 ALA A 88 ? ALA A 168 . ? 4_555 ? 30 AC7 8 GLN A 90 ? GLN A 170 . ? 1_555 ? 31 AC7 8 ALA A 91 ? ALA A 171 . ? 4_555 ? 32 AC7 8 PHE A 93 ? PHE A 173 . ? 4_555 ? 33 AC8 8 LEU A 82 ? LEU A 163 . ? 3_555 ? 34 AC8 8 PHE A 93 ? PHE A 173 . ? 1_555 ? 35 AC8 8 GLU A 94 ? GLU A 174 . ? 1_555 ? 36 AC8 8 HIS A 126 ? HIS A 206 . ? 1_555 ? 37 AC8 8 GLY A 129 ? GLY A 209 . ? 1_555 ? 38 AC8 8 HOH T . ? HOH A 496 . ? 1_555 ? 39 AC8 8 HOH T . ? HOH A 570 . ? 3_555 ? 40 AC8 8 HOH T . ? HOH A 702 . ? 3_555 ? 41 AC9 6 LYS A 206 ? LYS A 286 . ? 1_555 ? 42 AC9 6 ILE A 224 ? ILE A 304 . ? 1_555 ? 43 AC9 6 ASP A 226 ? ASP A 306 . ? 1_555 ? 44 AC9 6 ASP A 230 ? ASP A 311 . ? 1_555 ? 45 AC9 6 GLU A 232 ? GLU A 313 . ? 1_555 ? 46 AC9 6 HOH U . ? HOH B 666 . ? 1_555 ? 47 BC1 6 HOH U . ? HOH B 6 . ? 1_555 ? 48 BC1 6 HOH U . ? HOH B 45 . ? 1_555 ? 49 BC1 6 ASP B 213 ? ASP B 293 . ? 1_555 ? 50 BC1 6 GLY B 217 ? GLY B 297 . ? 1_555 ? 51 BC1 6 ASP B 243 ? ASP B 324 . ? 1_555 ? 52 BC1 6 TYR B 268 ? TYR B 347 . ? 1_555 ? 53 BC2 6 LEU B 10 ? LEU B 91 . ? 1_555 ? 54 BC2 6 ASN B 12 ? ASN B 93 . ? 1_555 ? 55 BC2 6 HOH U . ? HOH B 607 . ? 1_555 ? 56 BC2 6 HOH U . ? HOH B 624 . ? 1_555 ? 57 BC2 6 NAG N . ? NAG B 802 . ? 1_555 ? 58 BC2 6 HOH U . ? HOH B 885 . ? 1_555 ? 59 BC3 3 ASN B 279 ? ASN B 358 . ? 1_555 ? 60 BC3 3 HOH U . ? HOH B 532 . ? 1_555 ? 61 BC3 3 NAG M . ? NAG B 801 . ? 1_555 ? 62 BC4 7 ASN B 65 ? ASN B 146 . ? 1_555 ? 63 BC4 7 THR B 67 ? THR B 148 . ? 1_555 ? 64 BC4 7 ILE B 361 ? ILE B 437 . ? 1_555 ? 65 BC4 7 HOH U . ? HOH B 612 . ? 1_555 ? 66 BC4 7 HOH U . ? HOH B 731 . ? 1_555 ? 67 BC4 7 NAG P . ? NAG B 804 . ? 1_555 ? 68 BC4 7 HOH U . ? HOH B 900 . ? 1_555 ? 69 BC5 4 GLN A 191 ? GLN A 271 . ? 1_555 ? 70 BC5 4 NAG O . ? NAG B 803 . ? 1_555 ? 71 BC5 4 BMA Q . ? BMA B 805 . ? 1_555 ? 72 BC5 4 HOH U . ? HOH B 948 . ? 1_555 ? 73 BC6 2 HOH U . ? HOH B 795 . ? 1_555 ? 74 BC6 2 NAG P . ? NAG B 804 . ? 1_555 ? 75 BC7 8 LYS A 176 ? LYS A 256 . ? 1_555 ? 76 BC7 8 ASN A 184 ? ASN A 264 . ? 1_555 ? 77 BC7 8 HOH T . ? HOH A 564 . ? 1_555 ? 78 BC7 8 HOH T . ? HOH A 690 . ? 1_555 ? 79 BC7 8 ASN B 167 ? ASN B 247 . ? 1_555 ? 80 BC7 8 TRP B 215 ? TRP B 295 . ? 1_555 ? 81 BC7 8 HOH U . ? HOH B 641 . ? 1_555 ? 82 BC7 8 HOH U . ? HOH B 744 . ? 1_555 ? 83 BC8 8 PHE B 34 ? PHE B 115 . ? 4_545 ? 84 BC8 8 SER B 84 A SER B 164 . ? 1_555 ? 85 BC8 8 SER B 85 ? SER B 165 . ? 1_555 ? 86 BC8 8 ASN B 87 ? ASN B 167 . ? 1_555 ? 87 BC8 8 ALA B 88 ? ALA B 168 . ? 4_545 ? 88 BC8 8 GLN B 90 ? GLN B 170 . ? 1_555 ? 89 BC8 8 ALA B 91 ? ALA B 171 . ? 4_545 ? 90 BC8 8 PHE B 93 ? PHE B 173 . ? 4_545 ? # _database_PDB_matrix.entry_id 3SAL _database_PDB_matrix.origx[1][1] 1.000000 _database_PDB_matrix.origx[1][2] 0.000000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx[2][1] 0.000000 _database_PDB_matrix.origx[2][2] 1.000000 _database_PDB_matrix.origx[2][3] 0.000000 _database_PDB_matrix.origx[3][1] 0.000000 _database_PDB_matrix.origx[3][2] 0.000000 _database_PDB_matrix.origx[3][3] 1.000000 _database_PDB_matrix.origx_vector[1] 0.00000 _database_PDB_matrix.origx_vector[2] 0.00000 _database_PDB_matrix.origx_vector[3] 0.00000 # _atom_sites.entry_id 3SAL _atom_sites.fract_transf_matrix[1][1] 0.008968 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.008968 _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] 0.015046 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C CA 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 . PRO A 1 1 ? -7.271 -7.440 45.887 1.00 39.93 ? 82 PRO A N 1 ATOM 2 C CA . PRO A 1 1 ? -8.240 -8.007 44.942 1.00 37.73 ? 82 PRO A CA 1 ATOM 3 C C . PRO A 1 1 ? -9.094 -9.089 45.591 1.00 32.79 ? 82 PRO A C 1 ATOM 4 O O . PRO A 1 1 ? -8.570 -9.948 46.303 1.00 33.06 ? 82 PRO A O 1 ATOM 5 C CB . PRO A 1 1 ? -7.350 -8.620 43.857 1.00 40.29 ? 82 PRO A CB 1 ATOM 6 C CG . PRO A 1 1 ? -6.054 -8.892 44.544 1.00 41.55 ? 82 PRO A CG 1 ATOM 7 C CD . PRO A 1 1 ? -5.884 -7.759 45.510 1.00 41.27 ? 82 PRO A CD 1 ATOM 8 N N . GLU A 1 2 ? -10.398 -9.043 45.344 1.00 27.41 ? 83 GLU A N 1 ATOM 9 C CA . GLU A 1 2 ? -11.317 -10.019 45.913 1.00 25.11 ? 83 GLU A CA 1 ATOM 10 C C . GLU A 1 2 ? -12.236 -10.588 44.842 1.00 19.99 ? 83 GLU A C 1 ATOM 11 O O . GLU A 1 2 ? -12.415 -9.987 43.780 1.00 18.83 ? 83 GLU A O 1 ATOM 12 C CB . GLU A 1 2 ? -12.154 -9.383 47.021 1.00 30.51 ? 83 GLU A CB 1 ATOM 13 C CG . GLU A 1 2 ? -11.347 -8.894 48.210 1.00 36.79 ? 83 GLU A CG 1 ATOM 14 C CD . GLU A 1 2 ? -12.227 -8.433 49.354 1.00 43.78 ? 83 GLU A CD 1 ATOM 15 O OE1 . GLU A 1 2 ? -12.563 -7.229 49.401 1.00 46.30 ? 83 GLU A OE1 1 ATOM 16 O OE2 . GLU A 1 2 ? -12.586 -9.276 50.204 1.00 46.21 ? 83 GLU A OE2 1 ATOM 17 N N . PHE A 1 3 ? -12.821 -11.748 45.118 1.00 16.63 ? 84 PHE A N 1 ATOM 18 C CA . PHE A 1 3 ? -13.790 -12.323 44.194 1.00 14.99 ? 84 PHE A CA 1 ATOM 19 C C . PHE A 1 3 ? -15.060 -11.488 44.186 1.00 13.81 ? 84 PHE A C 1 ATOM 20 O O . PHE A 1 3 ? -15.493 -10.977 45.223 1.00 16.23 ? 84 PHE A O 1 ATOM 21 C CB . PHE A 1 3 ? -14.124 -13.769 44.565 1.00 14.78 ? 84 PHE A CB 1 ATOM 22 C CG . PHE A 1 3 ? -12.976 -14.721 44.397 1.00 14.85 ? 84 PHE A CG 1 ATOM 23 C CD1 . PHE A 1 3 ? -12.400 -14.918 43.152 1.00 14.25 ? 84 PHE A CD1 1 ATOM 24 C CD2 . PHE A 1 3 ? -12.479 -15.427 45.480 1.00 15.75 ? 84 PHE A CD2 1 ATOM 25 C CE1 . PHE A 1 3 ? -11.348 -15.797 42.989 1.00 15.32 ? 84 PHE A CE1 1 ATOM 26 C CE2 . PHE A 1 3 ? -11.424 -16.311 45.323 1.00 16.90 ? 84 PHE A CE2 1 ATOM 27 C CZ . PHE A 1 3 ? -10.858 -16.495 44.076 1.00 16.32 ? 84 PHE A CZ 1 ATOM 28 N N . LEU A 1 4 ? -15.654 -11.352 43.009 1.00 13.05 ? 85 LEU A N 1 ATOM 29 C CA . LEU A 1 4 ? -16.914 -10.639 42.877 1.00 15.27 ? 85 LEU A CA 1 ATOM 30 C C . LEU A 1 4 ? -18.057 -11.525 43.370 1.00 14.78 ? 85 LEU A C 1 ATOM 31 O O . LEU A 1 4 ? -18.195 -12.668 42.928 1.00 15.77 ? 85 LEU A O 1 ATOM 32 C CB . LEU A 1 4 ? -17.138 -10.251 41.416 1.00 17.43 ? 85 LEU A CB 1 ATOM 33 C CG . LEU A 1 4 ? -18.242 -9.239 41.116 1.00 22.02 ? 85 LEU A CG 1 ATOM 34 C CD1 . LEU A 1 4 ? -17.912 -7.895 41.743 1.00 23.16 ? 85 LEU A CD1 1 ATOM 35 C CD2 . LEU A 1 4 ? -18.421 -9.102 39.617 1.00 23.02 ? 85 LEU A CD2 1 ATOM 36 N N . ASN A 1 5 ? -18.867 -11.011 44.293 1.00 14.62 ? 86 ASN A N 1 ATOM 37 C CA . ASN A 1 5 ? -20.030 -11.757 44.762 1.00 16.12 ? 86 ASN A CA 1 ATOM 38 C C . ASN A 1 5 ? -20.950 -12.114 43.602 1.00 15.47 ? 86 ASN A C 1 ATOM 39 O O . ASN A 1 5 ? -21.189 -13.291 43.321 1.00 14.59 ? 86 ASN A O 1 ATOM 40 C CB . ASN A 1 5 ? -20.813 -10.959 45.805 1.00 18.89 ? 86 ASN A CB 1 ATOM 41 C CG . ASN A 1 5 ? -20.258 -11.120 47.208 1.00 23.61 ? 86 ASN A CG 1 ATOM 42 O OD1 . ASN A 1 5 ? -19.267 -11.820 47.428 1.00 25.51 ? 86 ASN A OD1 1 ATOM 43 N ND2 . ASN A 1 5 ? -20.904 -10.474 48.170 1.00 24.89 ? 86 ASN A ND2 1 ATOM 44 N N . ASN A 1 6 ? -21.464 -11.086 42.932 1.00 15.01 ? 87 ASN A N 1 ATOM 45 C CA . ASN A 1 6 ? -22.330 -11.276 41.775 1.00 13.55 ? 87 ASN A CA 1 ATOM 46 C C . ASN A 1 6 ? -23.568 -12.102 42.101 1.00 14.61 ? 87 ASN A C 1 ATOM 47 O O . ASN A 1 6 ? -24.062 -12.847 41.258 1.00 15.95 ? 87 ASN A O 1 ATOM 48 C CB . ASN A 1 6 ? -21.557 -11.943 40.637 1.00 16.17 ? 87 ASN A CB 1 ATOM 49 C CG . ASN A 1 6 ? -21.346 -11.025 39.456 1.00 18.20 ? 87 ASN A CG 1 ATOM 50 O OD1 . ASN A 1 6 ? -21.753 -9.865 39.473 1.00 18.73 ? 87 ASN A OD1 1 ATOM 51 N ND2 . ASN A 1 6 ? -20.713 -11.547 38.413 1.00 21.52 ? 87 ASN A ND2 1 ATOM 52 N N . THR A 1 7 ? -24.065 -11.965 43.326 1.00 14.90 ? 88 THR A N 1 ATOM 53 C CA . THR A 1 7 ? -25.232 -12.719 43.766 1.00 14.35 ? 88 THR A CA 1 ATOM 54 C C . THR A 1 7 ? -26.464 -11.828 43.870 1.00 13.61 ? 88 THR A C 1 ATOM 55 O O . THR A 1 7 ? -27.523 -12.262 44.325 1.00 13.95 ? 88 THR A O 1 ATOM 56 C CB . THR A 1 7 ? -24.977 -13.404 45.118 1.00 16.80 ? 88 THR A CB 1 ATOM 57 O OG1 . THR A 1 7 ? -24.481 -12.439 46.052 1.00 19.78 ? 88 THR A OG1 1 ATOM 58 C CG2 . THR A 1 7 ? -23.951 -14.516 44.963 1.00 17.87 ? 88 THR A CG2 1 ATOM 59 N N . GLU A 1 8 ? -26.317 -10.581 43.437 1.00 14.12 ? 89 GLU A N 1 ATOM 60 C CA . GLU A 1 8 ? -27.414 -9.623 43.456 1.00 15.52 ? 89 GLU A CA 1 ATOM 61 C C . GLU A 1 8 ? -28.501 -9.996 42.451 1.00 14.70 ? 89 GLU A C 1 ATOM 62 O O . GLU A 1 8 ? -28.259 -10.758 41.511 1.00 14.32 ? 89 GLU A O 1 ATOM 63 C CB . GLU A 1 8 ? -26.890 -8.215 43.152 1.00 17.63 ? 89 GLU A CB 1 ATOM 64 C CG . GLU A 1 8 ? -25.975 -7.630 44.225 1.00 19.68 ? 89 GLU A CG 1 ATOM 65 C CD . GLU A 1 8 ? -24.535 -8.112 44.128 1.00 22.40 ? 89 GLU A CD 1 ATOM 66 O OE1 . GLU A 1 8 ? -24.204 -8.869 43.193 1.00 23.79 ? 89 GLU A OE1 1 ATOM 67 O OE2 . GLU A 1 8 ? -23.725 -7.720 44.994 1.00 26.17 ? 89 GLU A OE2 1 ATOM 68 N N . PRO A 1 9 ? -29.712 -9.457 42.644 1.00 14.33 ? 90 PRO A N 1 ATOM 69 C CA . PRO A 1 9 ? -30.751 -9.647 41.628 1.00 13.23 ? 90 PRO A CA 1 ATOM 70 C C . PRO A 1 9 ? -30.394 -8.903 40.348 1.00 14.18 ? 90 PRO A C 1 ATOM 71 O O . PRO A 1 9 ? -29.686 -7.892 40.396 1.00 15.29 ? 90 PRO A O 1 ATOM 72 C CB . PRO A 1 9 ? -31.986 -9.008 42.270 1.00 13.95 ? 90 PRO A CB 1 ATOM 73 C CG . PRO A 1 9 ? -31.440 -8.028 43.252 1.00 16.26 ? 90 PRO A CG 1 ATOM 74 C CD . PRO A 1 9 ? -30.184 -8.649 43.782 1.00 15.79 ? 90 PRO A CD 1 ATOM 75 N N . LEU A 1 10 ? -30.870 -9.401 39.213 1.00 12.47 ? 91 LEU A N 1 ATOM 76 C CA . LEU A 1 10 ? -30.742 -8.666 37.965 1.00 12.80 ? 91 LEU A CA 1 ATOM 77 C C . LEU A 1 10 ? -31.636 -7.431 38.032 1.00 12.67 ? 91 LEU A C 1 ATOM 78 O O . LEU A 1 10 ? -32.756 -7.495 38.540 1.00 14.74 ? 91 LEU A O 1 ATOM 79 C CB . LEU A 1 10 ? -31.156 -9.538 36.783 1.00 12.00 ? 91 LEU A CB 1 ATOM 80 C CG . LEU A 1 10 ? -30.843 -8.958 35.402 1.00 11.69 ? 91 LEU A CG 1 ATOM 81 C CD1 . LEU A 1 10 ? -29.356 -9.100 35.090 1.00 12.55 ? 91 LEU A CD1 1 ATOM 82 C CD2 . LEU A 1 10 ? -31.679 -9.640 34.333 1.00 13.14 ? 91 LEU A CD2 1 ATOM 83 N N . CYS A 1 11 ? -31.143 -6.305 37.527 1.00 12.79 ? 92 CYS A N 1 ATOM 84 C CA . CYS A 1 11 ? -31.946 -5.088 37.487 1.00 13.48 ? 92 CYS A CA 1 ATOM 85 C C . CYS A 1 11 ? -33.180 -5.255 36.610 1.00 14.73 ? 92 CYS A C 1 ATOM 86 O O . CYS A 1 11 ? -33.131 -5.916 35.572 1.00 15.01 ? 92 CYS A O 1 ATOM 87 C CB . CYS A 1 11 ? -31.127 -3.919 36.941 1.00 16.27 ? 92 CYS A CB 1 ATOM 88 S SG . CYS A 1 11 ? -29.732 -3.419 37.965 1.00 19.29 ? 92 CYS A SG 1 ATOM 89 N N . ASN A 1 12 ? -34.286 -4.649 37.029 1.00 14.12 ? 93 ASN A N 1 ATOM 90 C CA . ASN A 1 12 ? -35.411 -4.446 36.129 1.00 15.41 ? 93 ASN A CA 1 ATOM 91 C C . ASN A 1 12 ? -35.136 -3.196 35.313 1.00 15.12 ? 93 ASN A C 1 ATOM 92 O O . ASN A 1 12 ? -34.845 -2.140 35.872 1.00 18.38 ? 93 ASN A O 1 ATOM 93 C CB . ASN A 1 12 ? -36.716 -4.291 36.907 1.00 16.99 ? 93 ASN A CB 1 ATOM 94 C CG . ASN A 1 12 ? -37.127 -5.568 37.605 1.00 19.30 ? 93 ASN A CG 1 ATOM 95 O OD1 . ASN A 1 12 ? -37.092 -6.650 37.013 1.00 19.90 ? 93 ASN A OD1 1 ATOM 96 N ND2 . ASN A 1 12 ? -37.514 -5.448 38.876 1.00 20.84 ? 93 ASN A ND2 1 ATOM 97 N N . VAL A 1 13 ? -35.202 -3.319 33.992 1.00 13.12 ? 94 VAL A N 1 ATOM 98 C CA . VAL A 1 13 ? -34.913 -2.190 33.115 1.00 12.98 ? 94 VAL A CA 1 ATOM 99 C C . VAL A 1 13 ? -36.068 -1.912 32.162 1.00 14.17 ? 94 VAL A C 1 ATOM 100 O O . VAL A 1 13 ? -36.812 -2.819 31.790 1.00 15.04 ? 94 VAL A O 1 ATOM 101 C CB . VAL A 1 13 ? -33.611 -2.408 32.310 1.00 13.26 ? 94 VAL A CB 1 ATOM 102 C CG1 . VAL A 1 13 ? -32.434 -2.595 33.253 1.00 12.70 ? 94 VAL A CG1 1 ATOM 103 C CG2 . VAL A 1 13 ? -33.749 -3.598 31.369 1.00 14.29 ? 94 VAL A CG2 1 ATOM 104 N N . SER A 1 14 ? -36.216 -0.649 31.773 1.00 14.87 ? 95 SER A N 1 ATOM 105 C CA . SER A 1 14 ? -37.318 -0.246 30.909 1.00 15.22 ? 95 SER A CA 1 ATOM 106 C C . SER A 1 14 ? -36.860 0.108 29.501 1.00 14.11 ? 95 SER A C 1 ATOM 107 O O . SER A 1 14 ? -37.678 0.395 28.630 1.00 15.89 ? 95 SER A O 1 ATOM 108 C CB . SER A 1 14 ? -38.080 0.928 31.526 1.00 17.31 ? 95 SER A CB 1 ATOM 109 O OG . SER A 1 14 ? -38.797 0.505 32.673 1.00 21.09 ? 95 SER A OG 1 ATOM 110 N N . GLY A 1 15 ? -35.552 0.087 29.280 1.00 13.97 ? 96 GLY A N 1 ATOM 111 C CA . GLY A 1 15 ? -35.008 0.385 27.970 1.00 13.38 ? 96 GLY A CA 1 ATOM 112 C C . GLY A 1 15 ? -33.548 0.008 27.878 1.00 12.94 ? 96 GLY A C 1 ATOM 113 O O . GLY A 1 15 ? -32.923 -0.331 28.880 1.00 13.55 ? 96 GLY A O 1 ATOM 114 N N . PHE A 1 16 ? -33.007 0.058 26.668 1.00 12.97 ? 97 PHE A N 1 ATOM 115 C CA . PHE A 1 16 ? -31.608 -0.267 26.443 1.00 12.08 ? 97 PHE A CA 1 ATOM 116 C C . PHE A 1 16 ? -30.911 0.869 25.709 1.00 11.16 ? 97 PHE A C 1 ATOM 117 O O . PHE A 1 16 ? -31.381 1.330 24.665 1.00 13.81 ? 97 PHE A O 1 ATOM 118 C CB . PHE A 1 16 ? -31.480 -1.583 25.673 1.00 12.58 ? 97 PHE A CB 1 ATOM 119 C CG . PHE A 1 16 ? -31.777 -2.796 26.504 1.00 14.27 ? 97 PHE A CG 1 ATOM 120 C CD1 . PHE A 1 16 ? -30.756 -3.466 27.157 1.00 15.18 ? 97 PHE A CD1 1 ATOM 121 C CD2 . PHE A 1 16 ? -33.076 -3.257 26.649 1.00 17.43 ? 97 PHE A CD2 1 ATOM 122 C CE1 . PHE A 1 16 ? -31.019 -4.578 27.934 1.00 15.02 ? 97 PHE A CE1 1 ATOM 123 C CE2 . PHE A 1 16 ? -33.348 -4.370 27.424 1.00 18.34 ? 97 PHE A CE2 1 ATOM 124 C CZ . PHE A 1 16 ? -32.317 -5.032 28.067 1.00 16.21 ? 97 PHE A CZ 1 ATOM 125 N N . ALA A 1 17 ? -29.800 1.326 26.279 1.00 11.19 ? 98 ALA A N 1 ATOM 126 C CA . ALA A 1 17 ? -29.036 2.444 25.735 1.00 10.13 ? 98 ALA A CA 1 ATOM 127 C C . ALA A 1 17 ? -27.765 1.934 25.074 1.00 9.61 ? 98 ALA A C 1 ATOM 128 O O . ALA A 1 17 ? -27.114 1.025 25.590 1.00 10.25 ? 98 ALA A O 1 ATOM 129 C CB . ALA A 1 17 ? -28.691 3.424 26.840 1.00 12.19 ? 98 ALA A CB 1 ATOM 130 N N . ILE A 1 18 ? -27.410 2.512 23.931 1.00 10.06 ? 99 ILE A N 1 ATOM 131 C CA . ILE A 1 18 ? -26.181 2.111 23.249 1.00 8.70 ? 99 ILE A CA 1 ATOM 132 C C . ILE A 1 18 ? -24.940 2.523 24.043 1.00 8.62 ? 99 ILE A C 1 ATOM 133 O O . ILE A 1 18 ? -24.833 3.657 24.516 1.00 10.42 ? 99 ILE A O 1 ATOM 134 C CB . ILE A 1 18 ? -26.112 2.627 21.789 1.00 9.02 ? 99 ILE A CB 1 ATOM 135 C CG1 . ILE A 1 18 ? -25.006 1.893 21.022 1.00 9.34 ? 99 ILE A CG1 1 ATOM 136 C CG2 . ILE A 1 18 ? -25.923 4.146 21.737 1.00 10.91 ? 99 ILE A CG2 1 ATOM 137 C CD1 . ILE A 1 18 ? -25.094 2.050 19.515 1.00 10.54 ? 99 ILE A CD1 1 ATOM 138 N N . VAL A 1 19 ? -24.018 1.577 24.193 1.00 8.90 ? 100 VAL A N 1 ATOM 139 C CA . VAL A 1 19 ? -22.817 1.763 24.999 1.00 9.82 ? 100 VAL A CA 1 ATOM 140 C C . VAL A 1 19 ? -21.569 1.873 24.124 1.00 9.39 ? 100 VAL A C 1 ATOM 141 O O . VAL A 1 19 ? -20.677 2.680 24.395 1.00 9.76 ? 100 VAL A O 1 ATOM 142 C CB . VAL A 1 19 ? -22.643 0.595 25.998 1.00 12.04 ? 100 VAL A CB 1 ATOM 143 C CG1 . VAL A 1 19 ? -21.320 0.708 26.751 1.00 14.33 ? 100 VAL A CG1 1 ATOM 144 C CG2 . VAL A 1 19 ? -23.820 0.546 26.965 1.00 14.64 ? 100 VAL A CG2 1 ATOM 145 N N . SER A 1 20 ? -21.503 1.059 23.075 1.00 8.97 ? 101 SER A N 1 ATOM 146 C CA . SER A 1 20 ? -20.351 1.085 22.182 1.00 8.30 ? 101 SER A CA 1 ATOM 147 C C . SER A 1 20 ? -20.671 0.590 20.780 1.00 7.67 ? 101 SER A C 1 ATOM 148 O O . SER A 1 20 ? -21.682 -0.080 20.549 1.00 9.19 ? 101 SER A O 1 ATOM 149 C CB . SER A 1 20 ? -19.191 0.268 22.762 1.00 10.94 ? 101 SER A CB 1 ATOM 150 O OG . SER A 1 20 ? -19.476 -1.118 22.726 1.00 13.05 ? 101 SER A OG 1 ATOM 151 N N . LYS A 1 21 ? -19.787 0.933 19.853 1.00 8.47 ? 102 LYS A N 1 ATOM 152 C CA . LYS A 1 21 ? -19.859 0.467 18.477 1.00 8.40 ? 102 LYS A CA 1 ATOM 153 C C . LYS A 1 21 ? -18.433 0.473 17.955 1.00 9.99 ? 102 LYS A C 1 ATOM 154 O O . LYS A 1 21 ? -17.777 1.513 17.967 1.00 12.19 ? 102 LYS A O 1 ATOM 155 C CB . LYS A 1 21 ? -20.718 1.411 17.639 1.00 9.78 ? 102 LYS A CB 1 ATOM 156 C CG . LYS A 1 21 ? -20.874 0.972 16.192 1.00 9.89 ? 102 LYS A CG 1 ATOM 157 C CD . LYS A 1 21 ? -21.668 1.981 15.376 1.00 10.25 ? 102 LYS A CD 1 ATOM 158 C CE . LYS A 1 21 ? -22.167 1.370 14.066 1.00 9.54 ? 102 LYS A CE 1 ATOM 159 N NZ . LYS A 1 21 ? -21.067 0.806 13.233 1.00 11.08 ? 102 LYS A NZ 1 ATOM 160 N N . ASP A 1 22 ? -17.940 -0.675 17.503 1.00 9.00 ? 103 ASP A N 1 ATOM 161 C CA . ASP A 1 22 ? -16.513 -0.776 17.207 1.00 10.60 ? 103 ASP A CA 1 ATOM 162 C C . ASP A 1 22 ? -16.108 -0.296 15.810 1.00 8.64 ? 103 ASP A C 1 ATOM 163 O O . ASP A 1 22 ? -14.952 0.053 15.594 1.00 10.01 ? 103 ASP A O 1 ATOM 164 C CB . ASP A 1 22 ? -15.985 -2.189 17.475 1.00 13.59 ? 103 ASP A CB 1 ATOM 165 C CG . ASP A 1 22 ? -16.543 -3.213 16.510 1.00 18.27 ? 103 ASP A CG 1 ATOM 166 O OD1 . ASP A 1 22 ? -15.894 -3.491 15.477 1.00 20.97 ? 103 ASP A OD1 1 ATOM 167 O OD2 . ASP A 1 22 ? -17.628 -3.750 16.791 1.00 23.51 ? 103 ASP A OD2 1 ATOM 168 N N . ASN A 1 23 ? -17.053 -0.270 14.872 1.00 8.49 ? 104 ASN A N 1 ATOM 169 C CA . ASN A 1 23 ? -16.763 0.206 13.519 1.00 8.93 ? 104 ASN A CA 1 ATOM 170 C C . ASN A 1 23 ? -15.582 -0.536 12.891 1.00 9.38 ? 104 ASN A C 1 ATOM 171 O O . ASN A 1 23 ? -14.868 0.012 12.050 1.00 8.98 ? 104 ASN A O 1 ATOM 172 C CB . ASN A 1 23 ? -16.471 1.713 13.534 1.00 10.20 ? 104 ASN A CB 1 ATOM 173 C CG . ASN A 1 23 ? -17.733 2.560 13.624 1.00 10.28 ? 104 ASN A CG 1 ATOM 174 O OD1 . ASN A 1 23 ? -18.719 2.305 12.931 1.00 12.28 ? 104 ASN A OD1 1 ATOM 175 N ND2 . ASN A 1 23 ? -17.698 3.586 14.467 1.00 13.29 ? 104 ASN A ND2 1 ATOM 176 N N . GLY A 1 24 ? -15.384 -1.787 13.291 1.00 7.76 ? 105 GLY A N 1 ATOM 177 C CA . GLY A 1 24 ? -14.175 -2.513 12.940 1.00 7.92 ? 105 GLY A CA 1 ATOM 178 C C . GLY A 1 24 ? -13.954 -2.713 11.454 1.00 8.78 ? 105 GLY A C 1 ATOM 179 O O . GLY A 1 24 ? -12.821 -2.636 10.970 1.00 9.80 ? 105 GLY A O 1 ATOM 180 N N . ILE A 1 25 ? -15.027 -2.981 10.720 1.00 8.90 ? 106 ILE A N 1 ATOM 181 C CA . ILE A 1 25 ? -14.887 -3.258 9.295 1.00 9.83 ? 106 ILE A CA 1 ATOM 182 C C . ILE A 1 25 ? -14.605 -1.974 8.510 1.00 9.35 ? 106 ILE A C 1 ATOM 183 O O . ILE A 1 25 ? -13.772 -1.966 7.601 1.00 9.30 ? 106 ILE A O 1 ATOM 184 C CB . ILE A 1 25 ? -16.105 -4.029 8.737 1.00 8.75 ? 106 ILE A CB 1 ATOM 185 C CG1 . ILE A 1 25 ? -16.362 -5.263 9.606 1.00 10.28 ? 106 ILE A CG1 1 ATOM 186 C CG2 . ILE A 1 25 ? -15.853 -4.454 7.296 1.00 9.06 ? 106 ILE A CG2 1 ATOM 187 C CD1 . ILE A 1 25 ? -17.512 -6.128 9.149 1.00 8.96 ? 106 ILE A CD1 1 ATOM 188 N N . ARG A 1 26 ? -15.273 -0.885 8.881 1.00 9.30 ? 107 ARG A N 1 ATOM 189 C CA . ARG A 1 26 ? -14.973 0.421 8.302 1.00 8.61 ? 107 ARG A CA 1 ATOM 190 C C . ARG A 1 26 ? -13.502 0.772 8.509 1.00 8.23 ? 107 ARG A C 1 ATOM 191 O O . ARG A 1 26 ? -12.810 1.181 7.571 1.00 9.38 ? 107 ARG A O 1 ATOM 192 C CB . ARG A 1 26 ? -15.860 1.509 8.914 1.00 8.22 ? 107 ARG A CB 1 ATOM 193 C CG . ARG A 1 26 ? -17.311 1.440 8.480 1.00 8.33 ? 107 ARG A CG 1 ATOM 194 C CD . ARG A 1 26 ? -18.192 2.408 9.273 1.00 9.95 ? 107 ARG A CD 1 ATOM 195 N NE . ARG A 1 26 ? -17.764 3.803 9.172 1.00 10.16 ? 107 ARG A NE 1 ATOM 196 C CZ . ARG A 1 26 ? -18.075 4.612 8.162 1.00 11.16 ? 107 ARG A CZ 1 ATOM 197 N NH1 . ARG A 1 26 ? -18.798 4.159 7.144 1.00 10.97 ? 107 ARG A NH1 1 ATOM 198 N NH2 . ARG A 1 26 ? -17.650 5.872 8.161 1.00 12.58 ? 107 ARG A NH2 1 ATOM 199 N N . ILE A 1 27 ? -13.028 0.611 9.740 1.00 7.99 ? 108 ILE A N 1 ATOM 200 C CA . ILE A 1 27 ? -11.634 0.892 10.062 1.00 7.75 ? 108 ILE A CA 1 ATOM 201 C C . ILE A 1 27 ? -10.693 -0.031 9.284 1.00 8.31 ? 108 ILE A C 1 ATOM 202 O O . ILE A 1 27 ? -9.665 0.414 8.762 1.00 9.11 ? 108 ILE A O 1 ATOM 203 C CB . ILE A 1 27 ? -11.383 0.784 11.579 1.00 8.61 ? 108 ILE A CB 1 ATOM 204 C CG1 . ILE A 1 27 ? -12.147 1.896 12.310 1.00 9.31 ? 108 ILE A CG1 1 ATOM 205 C CG2 . ILE A 1 27 ? -9.887 0.850 11.888 1.00 8.83 ? 108 ILE A CG2 1 ATOM 206 C CD1 . ILE A 1 27 ? -12.244 1.699 13.812 1.00 9.97 ? 108 ILE A CD1 1 ATOM 207 N N . GLY A 1 28 ? -11.074 -1.302 9.178 1.00 9.05 ? 109 GLY A N 1 ATOM 208 C CA . GLY A 1 28 ? -10.268 -2.313 8.511 1.00 9.88 ? 109 GLY A CA 1 ATOM 209 C C . GLY A 1 28 ? -10.150 -2.181 7.002 1.00 9.52 ? 109 GLY A C 1 ATOM 210 O O . GLY A 1 28 ? -9.426 -2.940 6.362 1.00 10.51 ? 109 GLY A O 1 ATOM 211 N N . SER A 1 29 ? -10.871 -1.226 6.428 1.00 9.10 ? 110 SER A N 1 ATOM 212 C CA . SER A 1 29 ? -10.709 -0.907 5.018 1.00 10.32 ? 110 SER A CA 1 ATOM 213 C C . SER A 1 29 ? -9.271 -0.450 4.754 1.00 8.92 ? 110 SER A C 1 ATOM 214 O O . SER A 1 29 ? -8.726 -0.671 3.672 1.00 10.95 ? 110 SER A O 1 ATOM 215 C CB . SER A 1 29 ? -11.714 0.174 4.610 1.00 9.60 ? 110 SER A CB 1 ATOM 216 O OG . SER A 1 29 ? -11.687 0.417 3.214 1.00 10.93 ? 110 SER A OG 1 ATOM 217 N N . ARG A 1 30 ? -8.655 0.166 5.761 1.00 9.96 ? 111 ARG A N 1 ATOM 218 C CA . ARG A 1 30 ? -7.289 0.669 5.641 1.00 9.79 ? 111 ARG A CA 1 ATOM 219 C C . ARG A 1 30 ? -6.405 0.244 6.818 1.00 8.87 ? 111 ARG A C 1 ATOM 220 O O . ARG A 1 30 ? -5.220 -0.049 6.644 1.00 9.40 ? 111 ARG A O 1 ATOM 221 C CB . ARG A 1 30 ? -7.287 2.195 5.502 1.00 10.76 ? 111 ARG A CB 1 ATOM 222 C CG . ARG A 1 30 ? -5.899 2.796 5.295 1.00 10.92 ? 111 ARG A CG 1 ATOM 223 C CD . ARG A 1 30 ? -6.004 4.235 4.815 1.00 10.89 ? 111 ARG A CD 1 ATOM 224 N NE . ARG A 1 30 ? -4.704 4.817 4.491 1.00 11.27 ? 111 ARG A NE 1 ATOM 225 C CZ . ARG A 1 30 ? -4.061 4.625 3.344 1.00 12.26 ? 111 ARG A CZ 1 ATOM 226 N NH1 . ARG A 1 30 ? -4.585 3.844 2.405 1.00 13.35 ? 111 ARG A NH1 1 ATOM 227 N NH2 . ARG A 1 30 ? -2.885 5.206 3.139 1.00 12.76 ? 111 ARG A NH2 1 ATOM 228 N N . GLY A 1 31 ? -6.981 0.223 8.016 1.00 8.67 ? 112 GLY A N 1 ATOM 229 C CA . GLY A 1 31 ? -6.247 -0.194 9.197 1.00 9.28 ? 112 GLY A CA 1 ATOM 230 C C . GLY A 1 31 ? -6.009 -1.693 9.222 1.00 8.64 ? 112 GLY A C 1 ATOM 231 O O . GLY A 1 31 ? -6.505 -2.431 8.367 1.00 9.52 ? 112 GLY A O 1 ATOM 232 N N . HIS A 1 32 ? -5.253 -2.152 10.211 1.00 8.54 ? 113 HIS A N 1 ATOM 233 C CA . HIS A 1 32 ? -4.954 -3.574 10.335 1.00 7.90 ? 113 HIS A CA 1 ATOM 234 C C . HIS A 1 32 ? -5.873 -4.216 11.360 1.00 6.94 ? 113 HIS A C 1 ATOM 235 O O . HIS A 1 32 ? -5.626 -4.169 12.559 1.00 8.65 ? 113 HIS A O 1 ATOM 236 C CB . HIS A 1 32 ? -3.477 -3.784 10.655 1.00 8.01 ? 113 HIS A CB 1 ATOM 237 C CG . HIS A 1 32 ? -2.568 -3.274 9.582 1.00 7.06 ? 113 HIS A CG 1 ATOM 238 N ND1 . HIS A 1 32 ? -1.243 -2.967 9.799 1.00 9.62 ? 113 HIS A ND1 1 ATOM 239 C CD2 . HIS A 1 32 ? -2.811 -2.999 8.277 1.00 8.48 ? 113 HIS A CD2 1 ATOM 240 C CE1 . HIS A 1 32 ? -0.703 -2.534 8.672 1.00 9.34 ? 113 HIS A CE1 1 ATOM 241 N NE2 . HIS A 1 32 ? -1.634 -2.546 7.734 1.00 8.92 ? 113 HIS A NE2 1 ATOM 242 N N . VAL A 1 33 ? -6.949 -4.805 10.855 1.00 7.92 ? 114 VAL A N 1 ATOM 243 C CA . VAL A 1 33 ? -8.048 -5.269 11.683 1.00 7.53 ? 114 VAL A CA 1 ATOM 244 C C . VAL A 1 33 ? -8.365 -6.709 11.321 1.00 7.96 ? 114 VAL A C 1 ATOM 245 O O . VAL A 1 33 ? -8.459 -7.052 10.142 1.00 8.76 ? 114 VAL A O 1 ATOM 246 C CB . VAL A 1 33 ? -9.306 -4.392 11.458 1.00 6.98 ? 114 VAL A CB 1 ATOM 247 C CG1 . VAL A 1 33 ? -10.474 -4.901 12.294 1.00 7.48 ? 114 VAL A CG1 1 ATOM 248 C CG2 . VAL A 1 33 ? -9.007 -2.928 11.781 1.00 8.67 ? 114 VAL A CG2 1 ATOM 249 N N . PHE A 1 34 ? -8.523 -7.556 12.332 1.00 7.35 ? 115 PHE A N 1 ATOM 250 C CA . PHE A 1 34 ? -8.834 -8.960 12.098 1.00 8.60 ? 115 PHE A CA 1 ATOM 251 C C . PHE A 1 34 ? -10.194 -9.163 11.460 1.00 8.30 ? 115 PHE A C 1 ATOM 252 O O . PHE A 1 34 ? -11.142 -8.422 11.727 1.00 9.22 ? 115 PHE A O 1 ATOM 253 C CB . PHE A 1 34 ? -8.786 -9.761 13.403 1.00 8.40 ? 115 PHE A CB 1 ATOM 254 C CG . PHE A 1 34 ? -7.401 -9.991 13.918 1.00 8.03 ? 115 PHE A CG 1 ATOM 255 C CD1 . PHE A 1 34 ? -6.558 -10.893 13.288 1.00 9.97 ? 115 PHE A CD1 1 ATOM 256 C CD2 . PHE A 1 34 ? -6.941 -9.311 15.036 1.00 8.40 ? 115 PHE A CD2 1 ATOM 257 C CE1 . PHE A 1 34 ? -5.278 -11.112 13.761 1.00 10.34 ? 115 PHE A CE1 1 ATOM 258 C CE2 . PHE A 1 34 ? -5.659 -9.526 15.514 1.00 9.11 ? 115 PHE A CE2 1 ATOM 259 C CZ . PHE A 1 34 ? -4.826 -10.426 14.872 1.00 9.76 ? 115 PHE A CZ 1 ATOM 260 N N . VAL A 1 35 ? -10.278 -10.185 10.618 1.00 8.28 ? 116 VAL A N 1 ATOM 261 C CA . VAL A 1 35 ? -11.561 -10.724 10.203 1.00 9.56 ? 116 VAL A CA 1 ATOM 262 C C . VAL A 1 35 ? -12.055 -11.583 11.364 1.00 8.90 ? 116 VAL A C 1 ATOM 263 O O . VAL A 1 35 ? -11.330 -12.453 11.847 1.00 11.60 ? 116 VAL A O 1 ATOM 264 C CB . VAL A 1 35 ? -11.413 -11.563 8.933 1.00 12.43 ? 116 VAL A CB 1 ATOM 265 C CG1 . VAL A 1 35 ? -12.643 -12.397 8.705 1.00 16.12 ? 116 VAL A CG1 1 ATOM 266 C CG2 . VAL A 1 35 ? -11.139 -10.653 7.738 1.00 13.83 ? 116 VAL A CG2 1 ATOM 267 N N . ILE A 1 36 ? -13.267 -11.314 11.840 1.00 8.03 ? 117 ILE A N 1 ATOM 268 C CA . ILE A 1 36 ? -13.744 -11.945 13.069 1.00 7.73 ? 117 ILE A CA 1 ATOM 269 C C . ILE A 1 36 ? -15.150 -12.519 12.974 1.00 9.13 ? 117 ILE A C 1 ATOM 270 O O . ILE A 1 36 ? -15.875 -12.291 12.001 1.00 10.70 ? 117 ILE A O 1 ATOM 271 C CB . ILE A 1 36 ? -13.743 -10.954 14.257 1.00 8.45 ? 117 ILE A CB 1 ATOM 272 C CG1 . ILE A 1 36 ? -14.848 -9.905 14.090 1.00 9.66 ? 117 ILE A CG1 1 ATOM 273 C CG2 . ILE A 1 36 ? -12.377 -10.297 14.423 1.00 8.41 ? 117 ILE A CG2 1 ATOM 274 C CD1 . ILE A 1 36 ? -15.207 -9.181 15.386 1.00 12.31 ? 117 ILE A CD1 1 ATOM 275 N N . ARG A 1 37 ? -15.509 -13.282 14.001 1.00 9.38 ? 118 ARG A N 1 ATOM 276 C CA . ARG A 1 37 ? -16.897 -13.608 14.305 1.00 9.91 ? 118 ARG A CA 1 ATOM 277 C C . ARG A 1 37 ? -17.084 -13.506 15.811 1.00 10.07 ? 118 ARG A C 1 ATOM 278 O O . ARG A 1 37 ? -16.104 -13.446 16.560 1.00 9.95 ? 118 ARG A O 1 ATOM 279 C CB . ARG A 1 37 ? -17.260 -15.025 13.848 1.00 11.45 ? 118 ARG A CB 1 ATOM 280 C CG . ARG A 1 37 ? -17.423 -15.212 12.340 1.00 12.81 ? 118 ARG A CG 1 ATOM 281 C CD . ARG A 1 37 ? -18.639 -14.464 11.784 1.00 12.83 ? 118 ARG A CD 1 ATOM 282 N NE . ARG A 1 37 ? -19.837 -14.613 12.617 1.00 14.44 ? 118 ARG A NE 1 ATOM 283 C CZ . ARG A 1 37 ? -20.702 -15.621 12.539 1.00 13.62 ? 118 ARG A CZ 1 ATOM 284 N NH1 . ARG A 1 37 ? -20.517 -16.601 11.663 1.00 16.28 ? 118 ARG A NH1 1 ATOM 285 N NH2 . ARG A 1 37 ? -21.758 -15.652 13.347 1.00 14.77 ? 118 ARG A NH2 1 ATOM 286 N N . GLU A 1 38 ? -18.346 -13.496 16.233 1.00 10.51 ? 119 GLU A N 1 ATOM 287 C CA . GLU A 1 38 ? -18.756 -13.495 17.644 1.00 10.84 ? 119 GLU A CA 1 ATOM 288 C C . GLU A 1 38 ? -18.001 -12.533 18.567 1.00 9.89 ? 119 GLU A C 1 ATOM 289 O O . GLU A 1 38 ? -17.296 -12.959 19.483 1.00 11.04 ? 119 GLU A O 1 ATOM 290 C CB . GLU A 1 38 ? -18.780 -14.916 18.221 1.00 13.19 ? 119 GLU A CB 1 ATOM 291 C CG . GLU A 1 38 ? -17.483 -15.694 18.106 1.00 14.44 ? 119 GLU A CG 1 ATOM 292 C CD . GLU A 1 38 ? -17.614 -17.103 18.650 1.00 14.82 ? 119 GLU A CD 1 ATOM 293 O OE1 . GLU A 1 38 ? -17.183 -17.344 19.800 1.00 14.20 ? 119 GLU A OE1 1 ATOM 294 O OE2 . GLU A 1 38 ? -18.162 -17.967 17.933 1.00 15.25 ? 119 GLU A OE2 1 ATOM 295 N N . PRO A 1 39 ? -18.183 -11.226 18.343 1.00 10.83 ? 120 PRO A N 1 ATOM 296 C CA . PRO A 1 39 ? -17.606 -10.181 19.195 1.00 10.58 ? 120 PRO A CA 1 ATOM 297 C C . PRO A 1 39 ? -18.346 -10.076 20.526 1.00 10.93 ? 120 PRO A C 1 ATOM 298 O O . PRO A 1 39 ? -18.998 -9.062 20.797 1.00 11.43 ? 120 PRO A O 1 ATOM 299 C CB . PRO A 1 39 ? -17.827 -8.911 18.373 1.00 11.03 ? 120 PRO A CB 1 ATOM 300 C CG . PRO A 1 39 ? -19.054 -9.201 17.575 1.00 10.46 ? 120 PRO A CG 1 ATOM 301 C CD . PRO A 1 39 ? -18.946 -10.661 17.215 1.00 11.88 ? 120 PRO A CD 1 ATOM 302 N N . PHE A 1 40 ? -18.245 -11.111 21.353 1.00 9.24 ? 121 PHE A N 1 ATOM 303 C CA . PHE A 1 40 ? -18.969 -11.119 22.621 1.00 8.09 ? 121 PHE A CA 1 ATOM 304 C C . PHE A 1 40 ? -18.285 -10.267 23.681 1.00 9.67 ? 121 PHE A C 1 ATOM 305 O O . PHE A 1 40 ? -17.099 -9.964 23.577 1.00 12.49 ? 121 PHE A O 1 ATOM 306 C CB . PHE A 1 40 ? -19.287 -12.545 23.109 1.00 9.27 ? 121 PHE A CB 1 ATOM 307 C CG . PHE A 1 40 ? -18.101 -13.336 23.615 1.00 9.22 ? 121 PHE A CG 1 ATOM 308 C CD1 . PHE A 1 40 ? -17.726 -13.280 24.952 1.00 10.35 ? 121 PHE A CD1 1 ATOM 309 C CD2 . PHE A 1 40 ? -17.415 -14.200 22.772 1.00 10.17 ? 121 PHE A CD2 1 ATOM 310 C CE1 . PHE A 1 40 ? -16.660 -14.040 25.428 1.00 11.05 ? 121 PHE A CE1 1 ATOM 311 C CE2 . PHE A 1 40 ? -16.357 -14.964 23.241 1.00 12.15 ? 121 PHE A CE2 1 ATOM 312 C CZ . PHE A 1 40 ? -15.976 -14.880 24.570 1.00 10.60 ? 121 PHE A CZ 1 ATOM 313 N N . VAL A 1 41 ? -19.049 -9.855 24.684 1.00 9.57 ? 122 VAL A N 1 ATOM 314 C CA . VAL A 1 41 ? -18.526 -8.968 25.710 1.00 9.26 ? 122 VAL A CA 1 ATOM 315 C C . VAL A 1 41 ? -18.568 -9.646 27.071 1.00 8.80 ? 122 VAL A C 1 ATOM 316 O O . VAL A 1 41 ? -19.507 -10.374 27.379 1.00 9.28 ? 122 VAL A O 1 ATOM 317 C CB . VAL A 1 41 ? -19.338 -7.655 25.774 1.00 9.77 ? 122 VAL A CB 1 ATOM 318 C CG1 . VAL A 1 41 ? -18.787 -6.730 26.859 1.00 11.04 ? 122 VAL A CG1 1 ATOM 319 C CG2 . VAL A 1 41 ? -19.323 -6.957 24.420 1.00 10.58 ? 122 VAL A CG2 1 ATOM 320 N N . ALA A 1 42 ? -17.541 -9.409 27.879 1.00 8.64 ? 123 ALA A N 1 ATOM 321 C CA . ALA A 1 42 ? -17.536 -9.858 29.266 1.00 9.87 ? 123 ALA A CA 1 ATOM 322 C C . ALA A 1 42 ? -16.929 -8.767 30.128 1.00 11.08 ? 123 ALA A C 1 ATOM 323 O O . ALA A 1 42 ? -16.043 -8.043 29.678 1.00 11.85 ? 123 ALA A O 1 ATOM 324 C CB . ALA A 1 42 ? -16.746 -11.146 29.407 1.00 11.70 ? 123 ALA A CB 1 ATOM 325 N N . CYS A 1 43 ? -17.399 -8.649 31.365 1.00 12.06 ? 124 CYS A N 1 ATOM 326 C CA . CYS A 1 43 ? -16.951 -7.575 32.243 1.00 14.46 ? 124 CYS A CA 1 ATOM 327 C C . CYS A 1 43 ? -16.340 -8.076 33.539 1.00 16.64 ? 124 CYS A C 1 ATOM 328 O O . CYS A 1 43 ? -16.870 -8.985 34.177 1.00 18.10 ? 124 CYS A O 1 ATOM 329 C CB . CYS A 1 43 ? -18.114 -6.644 32.584 1.00 16.31 ? 124 CYS A CB 1 ATOM 330 S SG . CYS A 1 43 ? -18.847 -5.850 31.159 1.00 17.96 ? 124 CYS A SG 1 ATOM 331 N N . GLY A 1 44 ? -15.226 -7.463 33.923 1.00 18.66 ? 125 GLY A N 1 ATOM 332 C CA . GLY A 1 44 ? -14.667 -7.642 35.247 1.00 21.30 ? 125 GLY A CA 1 ATOM 333 C C . GLY A 1 44 ? -15.125 -6.490 36.117 1.00 24.73 ? 125 GLY A C 1 ATOM 334 O O . GLY A 1 44 ? -15.981 -5.709 35.705 1.00 24.56 ? 125 GLY A O 1 ATOM 335 N N . PRO A 1 45 ? -14.559 -6.375 37.326 1.00 28.04 ? 126 PRO A N 1 ATOM 336 C CA . PRO A 1 45 ? -14.943 -5.325 38.276 1.00 30.41 ? 126 PRO A CA 1 ATOM 337 C C . PRO A 1 45 ? -14.764 -3.913 37.722 1.00 31.68 ? 126 PRO A C 1 ATOM 338 O O . PRO A 1 45 ? -15.579 -3.039 38.017 1.00 34.17 ? 126 PRO A O 1 ATOM 339 C CB . PRO A 1 45 ? -13.979 -5.545 39.447 1.00 30.44 ? 126 PRO A CB 1 ATOM 340 C CG . PRO A 1 45 ? -13.576 -6.971 39.348 1.00 30.91 ? 126 PRO A CG 1 ATOM 341 C CD . PRO A 1 45 ? -13.540 -7.281 37.881 1.00 29.61 ? 126 PRO A CD 1 ATOM 342 N N . THR A 1 46 ? -13.719 -3.694 36.931 1.00 28.86 ? 127 THR A N 1 ATOM 343 C CA . THR A 1 46 ? -13.371 -2.345 36.497 1.00 28.50 ? 127 THR A CA 1 ATOM 344 C C . THR A 1 46 ? -13.233 -2.210 34.986 1.00 23.56 ? 127 THR A C 1 ATOM 345 O O . THR A 1 46 ? -12.803 -1.167 34.494 1.00 23.11 ? 127 THR A O 1 ATOM 346 C CB . THR A 1 46 ? -12.031 -1.901 37.110 1.00 33.25 ? 127 THR A CB 1 ATOM 347 O OG1 . THR A 1 46 ? -10.961 -2.643 36.507 1.00 36.39 ? 127 THR A OG1 1 ATOM 348 C CG2 . THR A 1 46 ? -12.026 -2.133 38.613 1.00 35.01 ? 127 THR A CG2 1 ATOM 349 N N . GLU A 1 47 ? -13.593 -3.255 34.248 1.00 19.43 ? 128 GLU A N 1 ATOM 350 C CA . GLU A 1 47 ? -13.289 -3.289 32.824 1.00 19.39 ? 128 GLU A CA 1 ATOM 351 C C . GLU A 1 47 ? -14.186 -4.242 32.042 1.00 15.87 ? 128 GLU A C 1 ATOM 352 O O . GLU A 1 47 ? -14.379 -5.386 32.447 1.00 19.14 ? 128 GLU A O 1 ATOM 353 C CB . GLU A 1 47 ? -11.829 -3.709 32.641 1.00 23.61 ? 128 GLU A CB 1 ATOM 354 C CG . GLU A 1 47 ? -11.443 -4.076 31.227 1.00 23.75 ? 128 GLU A CG 1 ATOM 355 C CD . GLU A 1 47 ? -10.105 -4.795 31.162 1.00 24.62 ? 128 GLU A CD 1 ATOM 356 O OE1 . GLU A 1 47 ? -9.337 -4.521 30.222 1.00 20.98 ? 128 GLU A OE1 1 ATOM 357 O OE2 . GLU A 1 47 ? -9.819 -5.630 32.051 1.00 27.68 ? 128 GLU A OE2 1 ATOM 358 N N . CYS A 1 48 ? -14.729 -3.769 30.922 1.00 12.25 ? 129 CYS A N 1 ATOM 359 C CA . CYS A 1 48 ? -15.401 -4.652 29.972 1.00 11.60 ? 129 CYS A CA 1 ATOM 360 C C . CYS A 1 48 ? -14.526 -4.834 28.741 1.00 10.22 ? 129 CYS A C 1 ATOM 361 O O . CYS A 1 48 ? -13.857 -3.898 28.302 1.00 10.24 ? 129 CYS A O 1 ATOM 362 C CB . CYS A 1 48 ? -16.762 -4.095 29.547 1.00 14.40 ? 129 CYS A CB 1 ATOM 363 S SG . CYS A 1 48 ? -17.990 -4.027 30.868 1.00 18.13 ? 129 CYS A SG 1 ATOM 364 N N . ARG A 1 49 ? -14.539 -6.038 28.180 1.00 9.39 ? 130 ARG A N 1 ATOM 365 C CA . ARG A 1 49 ? -13.740 -6.333 26.999 1.00 8.94 ? 130 ARG A CA 1 ATOM 366 C C . ARG A 1 49 ? -14.584 -7.021 25.936 1.00 8.27 ? 130 ARG A C 1 ATOM 367 O O . ARG A 1 49 ? -15.513 -7.772 26.251 1.00 10.33 ? 130 ARG A O 1 ATOM 368 C CB . ARG A 1 49 ? -12.533 -7.208 27.366 1.00 8.80 ? 130 ARG A CB 1 ATOM 369 C CG . ARG A 1 49 ? -11.553 -6.528 28.315 1.00 8.25 ? 130 ARG A CG 1 ATOM 370 C CD . ARG A 1 49 ? -10.319 -7.384 28.589 1.00 9.08 ? 130 ARG A CD 1 ATOM 371 N NE . ARG A 1 49 ? -9.474 -7.519 27.406 1.00 10.60 ? 130 ARG A NE 1 ATOM 372 C CZ . ARG A 1 49 ? -8.602 -6.602 26.995 1.00 10.60 ? 130 ARG A CZ 1 ATOM 373 N NH1 . ARG A 1 49 ? -8.446 -5.472 27.676 1.00 10.56 ? 130 ARG A NH1 1 ATOM 374 N NH2 . ARG A 1 49 ? -7.882 -6.818 25.901 1.00 10.57 ? 130 ARG A NH2 1 ATOM 375 N N . THR A 1 50 ? -14.268 -6.741 24.676 1.00 8.46 ? 131 THR A N 1 ATOM 376 C CA . THR A 1 50 ? -14.837 -7.476 23.559 1.00 8.86 ? 131 THR A CA 1 ATOM 377 C C . THR A 1 50 ? -13.908 -8.623 23.195 1.00 9.09 ? 131 THR A C 1 ATOM 378 O O . THR A 1 50 ? -12.740 -8.412 22.851 1.00 11.15 ? 131 THR A O 1 ATOM 379 C CB . THR A 1 50 ? -15.021 -6.587 22.317 1.00 10.95 ? 131 THR A CB 1 ATOM 380 O OG1 . THR A 1 50 ? -16.005 -5.583 22.585 1.00 12.89 ? 131 THR A OG1 1 ATOM 381 C CG2 . THR A 1 50 ? -15.474 -7.425 21.124 1.00 12.80 ? 131 THR A CG2 1 ATOM 382 N N . PHE A 1 51 ? -14.432 -9.839 23.289 1.00 9.09 ? 132 PHE A N 1 ATOM 383 C CA . PHE A 1 51 ? -13.716 -11.026 22.853 1.00 8.77 ? 132 PHE A CA 1 ATOM 384 C C . PHE A 1 51 ? -14.172 -11.354 21.445 1.00 8.03 ? 132 PHE A C 1 ATOM 385 O O . PHE A 1 51 ? -15.252 -10.942 21.032 1.00 10.42 ? 132 PHE A O 1 ATOM 386 C CB . PHE A 1 51 ? -14.023 -12.193 23.791 1.00 8.34 ? 132 PHE A CB 1 ATOM 387 C CG . PHE A 1 51 ? -13.408 -12.043 25.147 1.00 8.95 ? 132 PHE A CG 1 ATOM 388 C CD1 . PHE A 1 51 ? -13.961 -11.178 26.077 1.00 9.91 ? 132 PHE A CD1 1 ATOM 389 C CD2 . PHE A 1 51 ? -12.269 -12.753 25.490 1.00 9.98 ? 132 PHE A CD2 1 ATOM 390 C CE1 . PHE A 1 51 ? -13.390 -11.024 27.329 1.00 10.95 ? 132 PHE A CE1 1 ATOM 391 C CE2 . PHE A 1 51 ? -11.695 -12.606 26.741 1.00 10.55 ? 132 PHE A CE2 1 ATOM 392 C CZ . PHE A 1 51 ? -12.257 -11.738 27.660 1.00 9.96 ? 132 PHE A CZ 1 ATOM 393 N N . PHE A 1 52 ? -13.350 -12.084 20.701 1.00 8.41 ? 133 PHE A N 1 ATOM 394 C CA . PHE A 1 52 ? -13.719 -12.461 19.344 1.00 8.15 ? 133 PHE A CA 1 ATOM 395 C C . PHE A 1 52 ? -12.897 -13.643 18.857 1.00 8.14 ? 133 PHE A C 1 ATOM 396 O O . PHE A 1 52 ? -11.807 -13.903 19.367 1.00 8.56 ? 133 PHE A O 1 ATOM 397 C CB . PHE A 1 52 ? -13.559 -11.270 18.387 1.00 9.20 ? 133 PHE A CB 1 ATOM 398 C CG . PHE A 1 52 ? -12.188 -10.651 18.405 1.00 9.26 ? 133 PHE A CG 1 ATOM 399 C CD1 . PHE A 1 52 ? -11.885 -9.622 19.287 1.00 10.51 ? 133 PHE A CD1 1 ATOM 400 C CD2 . PHE A 1 52 ? -11.206 -11.086 17.529 1.00 10.81 ? 133 PHE A CD2 1 ATOM 401 C CE1 . PHE A 1 52 ? -10.622 -9.045 19.303 1.00 10.64 ? 133 PHE A CE1 1 ATOM 402 C CE2 . PHE A 1 52 ? -9.942 -10.510 17.535 1.00 10.82 ? 133 PHE A CE2 1 ATOM 403 C CZ . PHE A 1 52 ? -9.650 -9.490 18.424 1.00 11.10 ? 133 PHE A CZ 1 ATOM 404 N N . LEU A 1 53 ? -13.438 -14.372 17.885 1.00 8.14 ? 134 LEU A N 1 ATOM 405 C CA . LEU A 1 53 ? -12.679 -15.418 17.209 1.00 8.64 ? 134 LEU A CA 1 ATOM 406 C C . LEU A 1 53 ? -12.151 -14.902 15.881 1.00 9.86 ? 134 LEU A C 1 ATOM 407 O O . LEU A 1 53 ? -12.858 -14.205 15.152 1.00 9.78 ? 134 LEU A O 1 ATOM 408 C CB . LEU A 1 53 ? -13.541 -16.653 16.956 1.00 9.50 ? 134 LEU A CB 1 ATOM 409 C CG . LEU A 1 53 ? -14.026 -17.435 18.172 1.00 9.43 ? 134 LEU A CG 1 ATOM 410 C CD1 . LEU A 1 53 ? -14.762 -18.681 17.713 1.00 11.52 ? 134 LEU A CD1 1 ATOM 411 C CD2 . LEU A 1 53 ? -12.855 -17.797 19.066 1.00 10.58 ? 134 LEU A CD2 1 ATOM 412 N N . THR A 1 54 ? -10.912 -15.255 15.564 1.00 9.64 ? 135 THR A N 1 ATOM 413 C CA . THR A 1 54 ? -10.336 -14.905 14.274 1.00 11.09 ? 135 THR A CA 1 ATOM 414 C C . THR A 1 54 ? -9.519 -16.057 13.700 1.00 12.58 ? 135 THR A C 1 ATOM 415 O O . THR A 1 54 ? -9.015 -16.901 14.444 1.00 14.49 ? 135 THR A O 1 ATOM 416 C CB . THR A 1 54 ? -9.461 -13.640 14.375 1.00 12.17 ? 135 THR A CB 1 ATOM 417 O OG1 . THR A 1 54 ? -8.911 -13.331 13.088 1.00 13.20 ? 135 THR A OG1 1 ATOM 418 C CG2 . THR A 1 54 ? -8.337 -13.840 15.377 1.00 14.45 ? 135 THR A CG2 1 ATOM 419 N N . GLN A 1 55 ? -9.409 -16.094 12.374 1.00 12.56 ? 136 GLN A N 1 ATOM 420 C CA . GLN A 1 55 ? -8.561 -17.063 11.690 1.00 13.79 ? 136 GLN A CA 1 ATOM 421 C C . GLN A 1 55 ? -7.113 -16.572 11.629 1.00 13.47 ? 136 GLN A C 1 ATOM 422 O O . GLN A 1 55 ? -6.258 -17.202 11.006 1.00 14.34 ? 136 GLN A O 1 ATOM 423 C CB . GLN A 1 55 ? -9.077 -17.316 10.265 1.00 15.50 ? 136 GLN A CB 1 ATOM 424 C CG . GLN A 1 55 ? -10.454 -17.983 10.175 1.00 16.55 ? 136 GLN A CG 1 ATOM 425 C CD . GLN A 1 55 ? -10.377 -19.498 10.228 1.00 18.42 ? 136 GLN A CD 1 ATOM 426 O OE1 . GLN A 1 55 ? -11.373 -20.198 10.015 1.00 20.84 ? 136 GLN A OE1 1 ATOM 427 N NE2 . GLN A 1 55 ? -9.190 -20.012 10.507 1.00 17.70 ? 136 GLN A NE2 1 ATOM 428 N N . GLY A 1 56 ? -6.834 -15.443 12.269 1.00 12.70 ? 137 GLY A N 1 ATOM 429 C CA . GLY A 1 56 ? -5.503 -14.866 12.207 1.00 13.83 ? 137 GLY A CA 1 ATOM 430 C C . GLY A 1 56 ? -5.248 -14.245 10.849 1.00 15.78 ? 137 GLY A C 1 ATOM 431 O O . GLY A 1 56 ? -4.120 -14.230 10.352 1.00 19.94 ? 137 GLY A O 1 ATOM 432 N N . ALA A 1 57 ? -6.310 -13.734 10.241 1.00 12.67 ? 138 ALA A N 1 ATOM 433 C CA . ALA A 1 57 ? -6.212 -13.061 8.957 1.00 11.46 ? 138 ALA A CA 1 ATOM 434 C C . ALA A 1 57 ? -6.766 -11.655 9.104 1.00 9.01 ? 138 ALA A C 1 ATOM 435 O O . ALA A 1 57 ? -7.700 -11.429 9.874 1.00 10.21 ? 138 ALA A O 1 ATOM 436 C CB . ALA A 1 57 ? -6.984 -13.824 7.898 1.00 11.60 ? 138 ALA A CB 1 ATOM 437 N N . LEU A 1 58 ? -6.188 -10.715 8.364 1.00 8.48 ? 139 LEU A N 1 ATOM 438 C CA . LEU A 1 58 ? -6.633 -9.330 8.414 1.00 8.56 ? 139 LEU A CA 1 ATOM 439 C C . LEU A 1 58 ? -7.558 -8.972 7.253 1.00 8.88 ? 139 LEU A C 1 ATOM 440 O O . LEU A 1 58 ? -7.458 -9.540 6.157 1.00 9.75 ? 139 LEU A O 1 ATOM 441 C CB . LEU A 1 58 ? -5.433 -8.384 8.427 1.00 8.67 ? 139 LEU A CB 1 ATOM 442 C CG . LEU A 1 58 ? -4.424 -8.555 9.565 1.00 10.08 ? 139 LEU A CG 1 ATOM 443 C CD1 . LEU A 1 58 ? -3.346 -7.485 9.469 1.00 12.03 ? 139 LEU A CD1 1 ATOM 444 C CD2 . LEU A 1 58 ? -5.113 -8.501 10.922 1.00 12.19 ? 139 LEU A CD2 1 ATOM 445 N N . LEU A 1 59 ? -8.454 -8.021 7.499 1.00 8.93 ? 140 LEU A N 1 ATOM 446 C CA . LEU A 1 59 ? -9.291 -7.464 6.439 1.00 8.30 ? 140 LEU A CA 1 ATOM 447 C C . LEU A 1 59 ? -8.438 -6.940 5.288 1.00 9.07 ? 140 LEU A C 1 ATOM 448 O O . LEU A 1 59 ? -7.375 -6.361 5.508 1.00 8.82 ? 140 LEU A O 1 ATOM 449 C CB . LEU A 1 59 ? -10.169 -6.337 6.984 1.00 9.19 ? 140 LEU A CB 1 ATOM 450 C CG . LEU A 1 59 ? -11.419 -6.789 7.740 1.00 8.27 ? 140 LEU A CG 1 ATOM 451 C CD1 . LEU A 1 59 ? -11.996 -5.638 8.554 1.00 9.47 ? 140 LEU A CD1 1 ATOM 452 C CD2 . LEU A 1 59 ? -12.459 -7.367 6.771 1.00 9.80 ? 140 LEU A CD2 1 ATOM 453 N N . ASN A 1 60 ? -8.920 -7.147 4.064 1.00 10.01 ? 141 ASN A N 1 ATOM 454 C CA . ASN A 1 60 ? -8.235 -6.704 2.850 1.00 9.65 ? 141 ASN A CA 1 ATOM 455 C C . ASN A 1 60 ? -6.921 -7.428 2.568 1.00 9.95 ? 141 ASN A C 1 ATOM 456 O O . ASN A 1 60 ? -6.125 -6.984 1.741 1.00 10.99 ? 141 ASN A O 1 ATOM 457 C CB . ASN A 1 60 ? -8.043 -5.183 2.832 1.00 11.18 ? 141 ASN A CB 1 ATOM 458 C CG . ASN A 1 60 ? -9.076 -4.480 1.966 1.00 12.11 ? 141 ASN A CG 1 ATOM 459 O OD1 . ASN A 1 60 ? -9.677 -5.091 1.082 1.00 12.61 ? 141 ASN A OD1 1 ATOM 460 N ND2 . ASN A 1 60 ? -9.289 -3.197 2.220 1.00 12.59 ? 141 ASN A ND2 1 ATOM 461 N N . ASP A 1 61 ? -6.709 -8.551 3.244 1.00 9.65 ? 142 ASP A N 1 ATOM 462 C CA . ASP A 1 61 ? -5.570 -9.412 2.941 1.00 10.24 ? 142 ASP A CA 1 ATOM 463 C C . ASP A 1 61 ? -6.022 -10.737 2.342 1.00 9.22 ? 142 ASP A C 1 ATOM 464 O O . ASP A 1 61 ? -7.115 -11.221 2.638 1.00 11.22 ? 142 ASP A O 1 ATOM 465 C CB . ASP A 1 61 ? -4.746 -9.693 4.192 1.00 10.42 ? 142 ASP A CB 1 ATOM 466 C CG . ASP A 1 61 ? -3.518 -10.523 3.890 1.00 11.73 ? 142 ASP A CG 1 ATOM 467 O OD1 . ASP A 1 61 ? -2.586 -9.986 3.256 1.00 11.19 ? 142 ASP A OD1 1 ATOM 468 O OD2 . ASP A 1 61 ? -3.489 -11.714 4.270 1.00 11.04 ? 142 ASP A OD2 1 ATOM 469 N N . LYS A 1 62 ? -5.164 -11.335 1.520 1.00 10.06 ? 143 LYS A N 1 ATOM 470 C CA . LYS A 1 62 ? -5.502 -12.580 0.842 1.00 11.59 ? 143 LYS A CA 1 ATOM 471 C C . LYS A 1 62 ? -5.856 -13.719 1.801 1.00 11.16 ? 143 LYS A C 1 ATOM 472 O O . LYS A 1 62 ? -6.618 -14.614 1.443 1.00 12.26 ? 143 LYS A O 1 ATOM 473 C CB . LYS A 1 62 ? -4.373 -13.011 -0.100 1.00 12.47 ? 143 LYS A CB 1 ATOM 474 C CG . LYS A 1 62 ? -3.093 -13.428 0.604 1.00 12.90 ? 143 LYS A CG 1 ATOM 475 C CD . LYS A 1 62 ? -2.056 -13.887 -0.405 1.00 14.09 ? 143 LYS A CD 1 ATOM 476 C CE . LYS A 1 62 ? -0.838 -14.494 0.273 1.00 13.70 ? 143 LYS A CE 1 ATOM 477 N NZ . LYS A 1 62 ? 0.129 -15.030 -0.732 1.00 16.59 ? 143 LYS A NZ 1 ATOM 478 N N . HIS A 1 63 ? -5.311 -13.692 3.016 1.00 10.76 ? 144 HIS A N 1 ATOM 479 C CA . HIS A 1 63 ? -5.589 -14.756 3.978 1.00 9.76 ? 144 HIS A CA 1 ATOM 480 C C . HIS A 1 63 ? -7.025 -14.715 4.502 1.00 11.22 ? 144 HIS A C 1 ATOM 481 O O . HIS A 1 63 ? -7.481 -15.665 5.142 1.00 13.70 ? 144 HIS A O 1 ATOM 482 C CB . HIS A 1 63 ? -4.579 -14.741 5.133 1.00 10.71 ? 144 HIS A CB 1 ATOM 483 C CG . HIS A 1 63 ? -3.197 -15.144 4.723 1.00 10.74 ? 144 HIS A CG 1 ATOM 484 N ND1 . HIS A 1 63 ? -2.278 -14.247 4.221 1.00 10.14 ? 144 HIS A ND1 1 ATOM 485 C CD2 . HIS A 1 63 ? -2.582 -16.351 4.723 1.00 10.00 ? 144 HIS A CD2 1 ATOM 486 C CE1 . HIS A 1 63 ? -1.155 -14.882 3.937 1.00 11.26 ? 144 HIS A CE1 1 ATOM 487 N NE2 . HIS A 1 63 ? -1.313 -16.160 4.233 1.00 11.32 ? 144 HIS A NE2 1 ATOM 488 N N . SER A 1 64 ? -7.738 -13.628 4.213 1.00 11.24 ? 145 SER A N 1 ATOM 489 C CA . SER A 1 64 ? -9.143 -13.516 4.601 1.00 11.62 ? 145 SER A CA 1 ATOM 490 C C . SER A 1 64 ? -10.054 -14.269 3.632 1.00 12.58 ? 145 SER A C 1 ATOM 491 O O . SER A 1 64 ? -11.248 -14.408 3.884 1.00 13.88 ? 145 SER A O 1 ATOM 492 C CB . SER A 1 64 ? -9.574 -12.048 4.696 1.00 11.35 ? 145 SER A CB 1 ATOM 493 O OG . SER A 1 64 ? -9.666 -11.455 3.410 1.00 13.29 ? 145 SER A OG 1 ATOM 494 N N . ASN A 1 65 ? -9.489 -14.746 2.524 1.00 12.09 ? 146 ASN A N 1 ATOM 495 C CA . ASN A 1 65 ? -10.235 -15.558 1.567 1.00 13.60 ? 146 ASN A CA 1 ATOM 496 C C . ASN A 1 65 ? -10.913 -16.708 2.312 1.00 16.79 ? 146 ASN A C 1 ATOM 497 O O . ASN A 1 65 ? -10.271 -17.398 3.105 1.00 17.08 ? 146 ASN A O 1 ATOM 498 C CB . ASN A 1 65 ? -9.275 -16.102 0.501 1.00 15.64 ? 146 ASN A CB 1 ATOM 499 C CG . ASN A 1 65 ? -9.923 -16.267 -0.873 1.00 18.19 ? 146 ASN A CG 1 ATOM 500 O OD1 . ASN A 1 65 ? -11.148 -16.349 -1.004 1.00 16.21 ? 146 ASN A OD1 1 ATOM 501 N ND2 . ASN A 1 65 ? -9.077 -16.324 -1.911 1.00 20.53 ? 146 ASN A ND2 1 ATOM 502 N N . ASN A 1 66 ? -12.208 -16.902 2.073 1.00 18.82 ? 147 ASN A N 1 ATOM 503 C CA . ASN A 1 66 ? -12.953 -17.981 2.723 1.00 21.94 ? 147 ASN A CA 1 ATOM 504 C C . ASN A 1 66 ? -12.620 -19.342 2.128 1.00 22.77 ? 147 ASN A C 1 ATOM 505 O O . ASN A 1 66 ? -13.448 -19.960 1.455 1.00 26.10 ? 147 ASN A O 1 ATOM 506 C CB . ASN A 1 66 ? -14.462 -17.729 2.643 1.00 24.89 ? 147 ASN A CB 1 ATOM 507 C CG . ASN A 1 66 ? -14.946 -16.764 3.704 1.00 28.52 ? 147 ASN A CG 1 ATOM 508 O OD1 . ASN A 1 66 ? -14.179 -16.341 4.568 1.00 32.18 ? 147 ASN A OD1 1 ATOM 509 N ND2 . ASN A 1 66 ? -16.227 -16.413 3.649 1.00 28.76 ? 147 ASN A ND2 1 ATOM 510 N N . THR A 1 67 ? -11.404 -19.805 2.384 1.00 21.65 ? 148 THR A N 1 ATOM 511 C CA . THR A 1 67 ? -10.919 -21.050 1.809 1.00 23.64 ? 148 THR A CA 1 ATOM 512 C C . THR A 1 67 ? -10.513 -22.032 2.902 1.00 25.56 ? 148 THR A C 1 ATOM 513 O O . THR A 1 67 ? -9.954 -23.095 2.622 1.00 27.74 ? 148 THR A O 1 ATOM 514 C CB . THR A 1 67 ? -9.716 -20.794 0.888 1.00 24.82 ? 148 THR A CB 1 ATOM 515 O OG1 . THR A 1 67 ? -8.689 -20.117 1.626 1.00 27.30 ? 148 THR A OG1 1 ATOM 516 C CG2 . THR A 1 67 ? -10.130 -19.928 -0.291 1.00 24.33 ? 148 THR A CG2 1 ATOM 517 N N . VAL A 1 68 ? -10.801 -21.663 4.146 1.00 24.53 ? 149 VAL A N 1 ATOM 518 C CA . VAL A 1 68 ? -10.489 -22.494 5.301 1.00 25.70 ? 149 VAL A CA 1 ATOM 519 C C . VAL A 1 68 ? -11.756 -22.724 6.113 1.00 25.76 ? 149 VAL A C 1 ATOM 520 O O . VAL A 1 68 ? -12.569 -21.812 6.271 1.00 25.77 ? 149 VAL A O 1 ATOM 521 C CB . VAL A 1 68 ? -9.441 -21.820 6.207 1.00 27.94 ? 149 VAL A CB 1 ATOM 522 C CG1 . VAL A 1 68 ? -9.112 -22.707 7.396 1.00 29.03 ? 149 VAL A CG1 1 ATOM 523 C CG2 . VAL A 1 68 ? -8.185 -21.498 5.414 1.00 27.89 ? 149 VAL A CG2 1 ATOM 524 N N . LYS A 1 69 ? -11.929 -23.939 6.626 1.00 24.29 ? 150 LYS A N 1 ATOM 525 C CA . LYS A 1 69 ? -13.109 -24.246 7.426 1.00 24.06 ? 150 LYS A CA 1 ATOM 526 C C . LYS A 1 69 ? -13.090 -23.453 8.727 1.00 20.44 ? 150 LYS A C 1 ATOM 527 O O . LYS A 1 69 ? -12.030 -23.023 9.182 1.00 19.73 ? 150 LYS A O 1 ATOM 528 C CB . LYS A 1 69 ? -13.214 -25.747 7.712 1.00 27.73 ? 150 LYS A CB 1 ATOM 529 C CG . LYS A 1 69 ? -12.254 -26.268 8.768 1.00 33.14 ? 150 LYS A CG 1 ATOM 530 C CD . LYS A 1 69 ? -10.820 -26.297 8.270 1.00 37.20 ? 150 LYS A CD 1 ATOM 531 C CE . LYS A 1 69 ? -9.928 -27.082 9.223 1.00 40.40 ? 150 LYS A CE 1 ATOM 532 N NZ . LYS A 1 69 ? -8.534 -27.201 8.717 1.00 42.53 ? 150 LYS A NZ 1 ATOM 533 N N . ASP A 1 70 ? -14.267 -23.255 9.315 1.00 18.25 ? 151 ASP A N 1 ATOM 534 C CA . ASP A 1 70 ? -14.384 -22.505 10.562 1.00 19.37 ? 151 ASP A CA 1 ATOM 535 C C . ASP A 1 70 ? -13.522 -23.109 11.657 1.00 17.07 ? 151 ASP A C 1 ATOM 536 O O . ASP A 1 70 ? -12.801 -22.400 12.366 1.00 16.78 ? 151 ASP A O 1 ATOM 537 C CB . ASP A 1 70 ? -15.838 -22.464 11.033 1.00 23.02 ? 151 ASP A CB 1 ATOM 538 C CG . ASP A 1 70 ? -16.688 -21.517 10.217 1.00 28.56 ? 151 ASP A CG 1 ATOM 539 O OD1 . ASP A 1 70 ? -16.145 -20.867 9.299 1.00 31.53 ? 151 ASP A OD1 1 ATOM 540 O OD2 . ASP A 1 70 ? -17.901 -21.423 10.499 1.00 31.11 ? 151 ASP A OD2 1 ATOM 541 N N . ARG A 1 71 ? -13.606 -24.426 11.800 1.00 14.80 ? 152 ARG A N 1 ATOM 542 C CA . ARG A 1 71 ? -12.845 -25.109 12.834 1.00 12.73 ? 152 ARG A CA 1 ATOM 543 C C . ARG A 1 71 ? -11.461 -25.468 12.312 1.00 16.03 ? 152 ARG A C 1 ATOM 544 O O . ARG A 1 71 ? -11.188 -26.611 11.939 1.00 20.14 ? 152 ARG A O 1 ATOM 545 C CB . ARG A 1 71 ? -13.615 -26.323 13.354 1.00 12.82 ? 152 ARG A CB 1 ATOM 546 C CG . ARG A 1 71 ? -14.945 -25.922 13.983 1.00 11.91 ? 152 ARG A CG 1 ATOM 547 C CD . ARG A 1 71 ? -15.671 -27.095 14.608 1.00 11.72 ? 152 ARG A CD 1 ATOM 548 N NE . ARG A 1 71 ? -16.040 -28.089 13.608 1.00 11.93 ? 152 ARG A NE 1 ATOM 549 C CZ . ARG A 1 71 ? -17.139 -28.027 12.862 1.00 13.32 ? 152 ARG A CZ 1 ATOM 550 N NH1 . ARG A 1 71 ? -17.980 -27.010 12.995 1.00 15.52 ? 152 ARG A NH1 1 ATOM 551 N NH2 . ARG A 1 71 ? -17.394 -28.981 11.978 1.00 13.92 ? 152 ARG A NH2 1 ATOM 552 N N . SER A 1 72 ? -10.594 -24.463 12.281 1.00 12.96 ? 153 SER A N 1 ATOM 553 C CA . SER A 1 72 ? -9.261 -24.611 11.721 1.00 12.66 ? 153 SER A CA 1 ATOM 554 C C . SER A 1 72 ? -8.228 -24.547 12.830 1.00 12.49 ? 153 SER A C 1 ATOM 555 O O . SER A 1 72 ? -8.531 -24.112 13.945 1.00 13.75 ? 153 SER A O 1 ATOM 556 C CB . SER A 1 72 ? -8.985 -23.482 10.734 1.00 13.85 ? 153 SER A CB 1 ATOM 557 O OG . SER A 1 72 ? -8.660 -22.292 11.434 1.00 14.16 ? 153 SER A OG 1 ATOM 558 N N . PRO A 1 73 ? -6.995 -24.972 12.526 1.00 13.11 ? 154 PRO A N 1 ATOM 559 C CA . PRO A 1 73 ? -5.909 -24.850 13.502 1.00 13.52 ? 154 PRO A CA 1 ATOM 560 C C . PRO A 1 73 ? -5.451 -23.405 13.688 1.00 12.94 ? 154 PRO A C 1 ATOM 561 O O . PRO A 1 73 ? -4.654 -23.149 14.587 1.00 14.79 ? 154 PRO A O 1 ATOM 562 C CB . PRO A 1 73 ? -4.776 -25.683 12.887 1.00 15.29 ? 154 PRO A CB 1 ATOM 563 C CG . PRO A 1 73 ? -5.112 -25.812 11.449 1.00 15.63 ? 154 PRO A CG 1 ATOM 564 C CD . PRO A 1 73 ? -6.601 -25.749 11.338 1.00 13.43 ? 154 PRO A CD 1 ATOM 565 N N . TYR A 1 74 ? -5.943 -22.481 12.865 1.00 10.78 ? 155 TYR A N 1 ATOM 566 C CA . TYR A 1 74 ? -5.524 -21.079 12.971 1.00 10.91 ? 155 TYR A CA 1 ATOM 567 C C . TYR A 1 74 ? -6.442 -20.269 13.873 1.00 11.33 ? 155 TYR A C 1 ATOM 568 O O . TYR A 1 74 ? -6.079 -19.181 14.315 1.00 13.38 ? 155 TYR A O 1 ATOM 569 C CB . TYR A 1 74 ? -5.467 -20.417 11.591 1.00 10.58 ? 155 TYR A CB 1 ATOM 570 C CG . TYR A 1 74 ? -4.908 -21.324 10.531 1.00 10.10 ? 155 TYR A CG 1 ATOM 571 C CD1 . TYR A 1 74 ? -3.692 -21.967 10.717 1.00 11.44 ? 155 TYR A CD1 1 ATOM 572 C CD2 . TYR A 1 74 ? -5.596 -21.546 9.344 1.00 10.65 ? 155 TYR A CD2 1 ATOM 573 C CE1 . TYR A 1 74 ? -3.179 -22.812 9.757 1.00 10.61 ? 155 TYR A CE1 1 ATOM 574 C CE2 . TYR A 1 74 ? -5.086 -22.385 8.376 1.00 11.44 ? 155 TYR A CE2 1 ATOM 575 C CZ . TYR A 1 74 ? -3.879 -23.018 8.588 1.00 12.40 ? 155 TYR A CZ 1 ATOM 576 O OH . TYR A 1 74 ? -3.369 -23.857 7.621 1.00 14.39 ? 155 TYR A OH 1 ATOM 577 N N . ARG A 1 75 ? -7.632 -20.798 14.142 1.00 9.64 ? 156 ARG A N 1 ATOM 578 C CA . ARG A 1 75 ? -8.649 -20.043 14.868 1.00 9.88 ? 156 ARG A CA 1 ATOM 579 C C . ARG A 1 75 ? -8.213 -19.736 16.297 1.00 9.09 ? 156 ARG A C 1 ATOM 580 O O . ARG A 1 75 ? -7.780 -20.628 17.029 1.00 9.10 ? 156 ARG A O 1 ATOM 581 C CB . ARG A 1 75 ? -9.977 -20.801 14.873 1.00 11.03 ? 156 ARG A CB 1 ATOM 582 C CG . ARG A 1 75 ? -11.197 -19.899 14.890 1.00 13.88 ? 156 ARG A CG 1 ATOM 583 C CD . ARG A 1 75 ? -11.605 -19.492 13.480 1.00 15.83 ? 156 ARG A CD 1 ATOM 584 N NE . ARG A 1 75 ? -12.761 -18.602 13.508 1.00 16.86 ? 156 ARG A NE 1 ATOM 585 C CZ . ARG A 1 75 ? -14.018 -19.016 13.627 1.00 18.34 ? 156 ARG A CZ 1 ATOM 586 N NH1 . ARG A 1 75 ? -14.283 -20.313 13.719 1.00 19.67 ? 156 ARG A NH1 1 ATOM 587 N NH2 . ARG A 1 75 ? -15.011 -18.136 13.648 1.00 18.27 ? 156 ARG A NH2 1 ATOM 588 N N . ALA A 1 76 ? -8.339 -18.471 16.691 1.00 9.50 ? 157 ALA A N 1 ATOM 589 C CA . ALA A 1 76 ? -7.915 -18.033 18.015 1.00 10.28 ? 157 ALA A CA 1 ATOM 590 C C . ALA A 1 76 ? -8.930 -17.099 18.657 1.00 8.43 ? 157 ALA A C 1 ATOM 591 O O . ALA A 1 76 ? -9.640 -16.362 17.970 1.00 9.07 ? 157 ALA A O 1 ATOM 592 C CB . ALA A 1 76 ? -6.557 -17.343 17.932 1.00 11.10 ? 157 ALA A CB 1 ATOM 593 N N . LEU A 1 77 ? -8.985 -17.140 19.983 1.00 8.26 ? 158 LEU A N 1 ATOM 594 C CA . LEU A 1 77 ? -9.761 -16.193 20.767 1.00 8.16 ? 158 LEU A CA 1 ATOM 595 C C . LEU A 1 77 ? -8.846 -15.054 21.199 1.00 8.58 ? 158 LEU A C 1 ATOM 596 O O . LEU A 1 77 ? -7.765 -15.292 21.735 1.00 8.63 ? 158 LEU A O 1 ATOM 597 C CB . LEU A 1 77 ? -10.345 -16.881 22.005 1.00 8.26 ? 158 LEU A CB 1 ATOM 598 C CG . LEU A 1 77 ? -11.162 -16.016 22.970 1.00 8.42 ? 158 LEU A CG 1 ATOM 599 C CD1 . LEU A 1 77 ? -12.530 -15.677 22.371 1.00 9.22 ? 158 LEU A CD1 1 ATOM 600 C CD2 . LEU A 1 77 ? -11.316 -16.710 24.319 1.00 10.57 ? 158 LEU A CD2 1 ATOM 601 N N . MET A 1 78 ? -9.278 -13.820 20.950 1.00 8.38 ? 159 MET A N 1 ATOM 602 C CA . MET A 1 78 ? -8.545 -12.632 21.383 1.00 7.05 ? 159 MET A CA 1 ATOM 603 C C . MET A 1 78 ? -9.520 -11.652 22.016 1.00 8.28 ? 159 MET A C 1 ATOM 604 O O . MET A 1 78 ? -10.733 -11.870 21.979 1.00 8.40 ? 159 MET A O 1 ATOM 605 C CB . MET A 1 78 ? -7.844 -11.958 20.201 1.00 9.02 ? 159 MET A CB 1 ATOM 606 C CG . MET A 1 78 ? -6.887 -12.850 19.433 1.00 10.60 ? 159 MET A CG 1 ATOM 607 S SD . MET A 1 78 ? -6.111 -11.928 18.095 1.00 11.67 ? 159 MET A SD 1 ATOM 608 C CE . MET A 1 78 ? -5.052 -13.184 17.387 1.00 12.94 ? 159 MET A CE 1 ATOM 609 N N . SER A 1 79 ? -8.996 -10.577 22.600 1.00 7.86 ? 160 SER A N 1 ATOM 610 C CA . SER A 1 79 ? -9.855 -9.535 23.155 1.00 6.61 ? 160 SER A CA 1 ATOM 611 C C . SER A 1 79 ? -9.254 -8.139 23.026 1.00 8.88 ? 160 SER A C 1 ATOM 612 O O . SER A 1 79 ? -8.039 -7.975 22.907 1.00 9.08 ? 160 SER A O 1 ATOM 613 C CB . SER A 1 79 ? -10.188 -9.822 24.623 1.00 7.75 ? 160 SER A CB 1 ATOM 614 O OG . SER A 1 79 ? -9.058 -9.607 25.453 1.00 8.62 ? 160 SER A OG 1 ATOM 615 N N . VAL A 1 80 ? -10.133 -7.141 23.024 1.00 8.18 ? 161 VAL A N 1 ATOM 616 C CA . VAL A 1 80 ? -9.744 -5.739 23.086 1.00 7.41 ? 161 VAL A CA 1 ATOM 617 C C . VAL A 1 80 ? -10.666 -5.042 24.076 1.00 8.20 ? 161 VAL A C 1 ATOM 618 O O . VAL A 1 80 ? -11.702 -5.587 24.439 1.00 8.98 ? 161 VAL A O 1 ATOM 619 C CB . VAL A 1 80 ? -9.878 -5.045 21.711 1.00 7.50 ? 161 VAL A CB 1 ATOM 620 C CG1 . VAL A 1 80 ? -8.855 -5.596 20.725 1.00 8.63 ? 161 VAL A CG1 1 ATOM 621 C CG2 . VAL A 1 80 ? -11.301 -5.196 21.171 1.00 10.32 ? 161 VAL A CG2 1 ATOM 622 N N . PRO A 1 81 ? -10.289 -3.839 24.531 1.00 9.84 ? 162 PRO A N 1 ATOM 623 C CA . PRO A 1 81 ? -11.215 -3.077 25.378 1.00 10.65 ? 162 PRO A CA 1 ATOM 624 C C . PRO A 1 81 ? -12.553 -2.851 24.671 1.00 10.23 ? 162 PRO A C 1 ATOM 625 O O . PRO A 1 81 ? -12.591 -2.715 23.448 1.00 11.04 ? 162 PRO A O 1 ATOM 626 C CB . PRO A 1 81 ? -10.487 -1.745 25.576 1.00 11.72 ? 162 PRO A CB 1 ATOM 627 C CG . PRO A 1 81 ? -9.042 -2.082 25.402 1.00 12.52 ? 162 PRO A CG 1 ATOM 628 C CD . PRO A 1 81 ? -9.003 -3.147 24.346 1.00 11.58 ? 162 PRO A CD 1 ATOM 629 N N . LEU A 1 82 ? -13.640 -2.810 25.433 1.00 9.76 ? 163 LEU A N 1 ATOM 630 C CA . LEU A 1 82 ? -14.963 -2.626 24.847 1.00 10.24 ? 163 LEU A CA 1 ATOM 631 C C . LEU A 1 82 ? -15.019 -1.359 23.999 1.00 10.08 ? 163 LEU A C 1 ATOM 632 O O . LEU A 1 82 ? -14.679 -0.269 24.465 1.00 11.36 ? 163 LEU A O 1 ATOM 633 C CB . LEU A 1 82 ? -16.033 -2.582 25.938 1.00 10.95 ? 163 LEU A CB 1 ATOM 634 C CG . LEU A 1 82 ? -17.469 -2.356 25.459 1.00 11.12 ? 163 LEU A CG 1 ATOM 635 C CD1 . LEU A 1 82 ? -17.906 -3.466 24.515 1.00 13.23 ? 163 LEU A CD1 1 ATOM 636 C CD2 . LEU A 1 82 ? -18.426 -2.243 26.643 1.00 13.03 ? 163 LEU A CD2 1 ATOM 637 N N . GLY A 1 83 ? -15.446 -1.506 22.750 1.00 8.94 ? 164 GLY A N 1 ATOM 638 C CA . GLY A 1 83 ? -15.548 -0.371 21.851 1.00 8.72 ? 164 GLY A CA 1 ATOM 639 C C . GLY A 1 83 ? -14.386 -0.259 20.882 1.00 8.52 ? 164 GLY A C 1 ATOM 640 O O . GLY A 1 83 ? -14.490 0.416 19.857 1.00 10.03 ? 164 GLY A O 1 ATOM 641 N N . SER A 1 84 A -13.273 -0.911 21.202 1.00 8.78 ? 164 SER A N 1 ATOM 642 C CA . SER A 1 84 A -12.124 -0.922 20.303 1.00 8.13 ? 164 SER A CA 1 ATOM 643 C C . SER A 1 84 A -12.374 -1.825 19.101 1.00 8.03 ? 164 SER A C 1 ATOM 644 O O . SER A 1 84 A -13.125 -2.801 19.183 1.00 9.83 ? 164 SER A O 1 ATOM 645 C CB . SER A 1 84 A -10.860 -1.382 21.035 1.00 8.85 ? 164 SER A CB 1 ATOM 646 O OG . SER A 1 84 A -10.370 -0.373 21.899 1.00 10.21 ? 164 SER A OG 1 ATOM 647 N N . SER A 1 85 ? -11.750 -1.487 17.978 1.00 8.72 ? 165 SER A N 1 ATOM 648 C CA . SER A 1 85 ? -11.768 -2.370 16.824 1.00 8.23 ? 165 SER A CA 1 ATOM 649 C C . SER A 1 85 ? -10.922 -3.593 17.159 1.00 9.04 ? 165 SER A C 1 ATOM 650 O O . SER A 1 85 ? -10.002 -3.506 17.974 1.00 8.84 ? 165 SER A O 1 ATOM 651 C CB . SER A 1 85 ? -11.219 -1.653 15.587 1.00 9.62 ? 165 SER A CB 1 ATOM 652 O OG . SER A 1 85 ? -9.875 -1.232 15.785 1.00 10.26 ? 165 SER A OG 1 ATOM 653 N N . PRO A 1 86 ? -11.238 -4.744 16.547 1.00 8.43 ? 166 PRO A N 1 ATOM 654 C CA . PRO A 1 86 ? -10.457 -5.958 16.820 1.00 9.00 ? 166 PRO A CA 1 ATOM 655 C C . PRO A 1 86 ? -9.175 -5.939 16.004 1.00 8.66 ? 166 PRO A C 1 ATOM 656 O O . PRO A 1 86 ? -9.006 -6.732 15.074 1.00 8.89 ? 166 PRO A O 1 ATOM 657 C CB . PRO A 1 86 ? -11.389 -7.075 16.350 1.00 9.35 ? 166 PRO A CB 1 ATOM 658 C CG . PRO A 1 86 ? -12.172 -6.445 15.241 1.00 8.22 ? 166 PRO A CG 1 ATOM 659 C CD . PRO A 1 86 ? -12.394 -5.013 15.671 1.00 8.20 ? 166 PRO A CD 1 ATOM 660 N N . ASN A 1 87 ? -8.277 -5.023 16.350 1.00 8.47 ? 167 ASN A N 1 ATOM 661 C CA . ASN A 1 87 ? -7.115 -4.767 15.505 1.00 7.24 ? 167 ASN A CA 1 ATOM 662 C C . ASN A 1 87 ? -5.845 -5.496 15.937 1.00 7.53 ? 167 ASN A C 1 ATOM 663 O O . ASN A 1 87 ? -5.764 -6.047 17.034 1.00 9.22 ? 167 ASN A O 1 ATOM 664 C CB . ASN A 1 87 ? -6.867 -3.264 15.367 1.00 8.62 ? 167 ASN A CB 1 ATOM 665 C CG . ASN A 1 87 ? -6.417 -2.628 16.660 1.00 7.87 ? 167 ASN A CG 1 ATOM 666 O OD1 . ASN A 1 87 ? -5.286 -2.830 17.100 1.00 9.49 ? 167 ASN A OD1 1 ATOM 667 N ND2 . ASN A 1 87 ? -7.297 -1.847 17.275 1.00 9.55 ? 167 ASN A ND2 1 ATOM 668 N N . ALA A 1 88 ? -4.853 -5.493 15.055 1.00 7.77 ? 168 ALA A N 1 ATOM 669 C CA . ALA A 1 88 ? -3.673 -6.331 15.220 1.00 7.39 ? 168 ALA A CA 1 ATOM 670 C C . ALA A 1 88 ? -2.759 -5.894 16.360 1.00 7.39 ? 168 ALA A C 1 ATOM 671 O O . ALA A 1 88 ? -1.934 -6.677 16.820 1.00 9.68 ? 168 ALA A O 1 ATOM 672 C CB . ALA A 1 88 ? -2.885 -6.393 13.913 1.00 10.15 ? 168 ALA A CB 1 ATOM 673 N N . TYR A 1 89 ? -2.905 -4.654 16.820 1.00 8.03 ? 169 TYR A N 1 ATOM 674 C CA . TYR A 1 89 ? -1.922 -4.085 17.741 1.00 7.56 ? 169 TYR A CA 1 ATOM 675 C C . TYR A 1 89 ? -2.468 -3.795 19.135 1.00 7.87 ? 169 TYR A C 1 ATOM 676 O O . TYR A 1 89 ? -1.695 -3.606 20.069 1.00 11.64 ? 169 TYR A O 1 ATOM 677 C CB . TYR A 1 89 ? -1.272 -2.841 17.123 1.00 8.34 ? 169 TYR A CB 1 ATOM 678 C CG . TYR A 1 89 ? -0.837 -3.088 15.700 1.00 8.75 ? 169 TYR A CG 1 ATOM 679 C CD1 . TYR A 1 89 ? 0.018 -4.143 15.390 1.00 9.13 ? 169 TYR A CD1 1 ATOM 680 C CD2 . TYR A 1 89 ? -1.304 -2.292 14.658 1.00 9.49 ? 169 TYR A CD2 1 ATOM 681 C CE1 . TYR A 1 89 ? 0.405 -4.390 14.083 1.00 8.15 ? 169 TYR A CE1 1 ATOM 682 C CE2 . TYR A 1 89 ? -0.924 -2.529 13.349 1.00 8.68 ? 169 TYR A CE2 1 ATOM 683 C CZ . TYR A 1 89 ? -0.067 -3.577 13.067 1.00 7.76 ? 169 TYR A CZ 1 ATOM 684 O OH . TYR A 1 89 ? 0.308 -3.820 11.768 1.00 9.16 ? 169 TYR A OH 1 ATOM 685 N N . GLN A 1 90 ? -3.792 -3.773 19.272 1.00 8.39 ? 170 GLN A N 1 ATOM 686 C CA . GLN A 1 90 ? -4.423 -3.669 20.586 1.00 8.87 ? 170 GLN A CA 1 ATOM 687 C C . GLN A 1 90 ? -4.913 -5.028 21.081 1.00 8.89 ? 170 GLN A C 1 ATOM 688 O O . GLN A 1 90 ? -5.178 -5.201 22.270 1.00 11.42 ? 170 GLN A O 1 ATOM 689 C CB . GLN A 1 90 ? -5.588 -2.669 20.565 1.00 10.34 ? 170 GLN A CB 1 ATOM 690 C CG . GLN A 1 90 ? -5.149 -1.211 20.506 1.00 9.81 ? 170 GLN A CG 1 ATOM 691 C CD . GLN A 1 90 ? -6.311 -0.231 20.441 1.00 13.37 ? 170 GLN A CD 1 ATOM 692 O OE1 . GLN A 1 90 ? -7.291 -0.461 19.745 1.00 12.95 ? 170 GLN A OE1 1 ATOM 693 N NE2 . GLN A 1 90 ? -6.190 0.883 21.159 1.00 18.60 ? 170 GLN A NE2 1 ATOM 694 N N . ALA A 1 91 ? -5.039 -5.988 20.172 1.00 9.64 ? 171 ALA A N 1 ATOM 695 C CA . ALA A 1 91 ? -5.574 -7.299 20.533 1.00 9.79 ? 171 ALA A CA 1 ATOM 696 C C . ALA A 1 91 ? -4.700 -8.036 21.540 1.00 9.50 ? 171 ALA A C 1 ATOM 697 O O . ALA A 1 91 ? -3.469 -8.026 21.447 1.00 11.16 ? 171 ALA A O 1 ATOM 698 C CB . ALA A 1 91 ? -5.786 -8.159 19.294 1.00 10.50 ? 171 ALA A CB 1 ATOM 699 N N . LYS A 1 92 ? -5.361 -8.671 22.500 1.00 9.46 ? 172 LYS A N 1 ATOM 700 C CA . LYS A 1 92 ? -4.711 -9.513 23.495 1.00 8.17 ? 172 LYS A CA 1 ATOM 701 C C . LYS A 1 92 ? -5.047 -10.967 23.195 1.00 8.21 ? 172 LYS A C 1 ATOM 702 O O . LYS A 1 92 ? -6.215 -11.314 23.042 1.00 9.51 ? 172 LYS A O 1 ATOM 703 C CB . LYS A 1 92 ? -5.222 -9.141 24.886 1.00 9.80 ? 172 LYS A CB 1 ATOM 704 C CG . LYS A 1 92 ? -4.761 -10.054 26.003 1.00 12.12 ? 172 LYS A CG 1 ATOM 705 C CD . LYS A 1 92 ? -5.391 -9.613 27.314 1.00 14.79 ? 172 LYS A CD 1 ATOM 706 C CE . LYS A 1 92 ? -5.091 -10.583 28.441 1.00 18.59 ? 172 LYS A CE 1 ATOM 707 N NZ . LYS A 1 92 ? -5.753 -10.149 29.705 1.00 22.53 ? 172 LYS A NZ 1 ATOM 708 N N . PHE A 1 93 ? -4.029 -11.818 23.108 1.00 8.62 ? 173 PHE A N 1 ATOM 709 C CA . PHE A 1 93 ? -4.266 -13.229 22.842 1.00 8.76 ? 173 PHE A CA 1 ATOM 710 C C . PHE A 1 93 ? -4.834 -13.915 24.084 1.00 8.96 ? 173 PHE A C 1 ATOM 711 O O . PHE A 1 93 ? -4.300 -13.762 25.184 1.00 10.47 ? 173 PHE A O 1 ATOM 712 C CB . PHE A 1 93 ? -2.988 -13.938 22.387 1.00 9.30 ? 173 PHE A CB 1 ATOM 713 C CG . PHE A 1 93 ? -3.216 -15.368 22.000 1.00 8.49 ? 173 PHE A CG 1 ATOM 714 C CD1 . PHE A 1 93 ? -3.485 -15.708 20.682 1.00 9.10 ? 173 PHE A CD1 1 ATOM 715 C CD2 . PHE A 1 93 ? -3.200 -16.372 22.959 1.00 10.45 ? 173 PHE A CD2 1 ATOM 716 C CE1 . PHE A 1 93 ? -3.721 -17.023 20.323 1.00 11.05 ? 173 PHE A CE1 1 ATOM 717 C CE2 . PHE A 1 93 ? -3.434 -17.693 22.605 1.00 11.82 ? 173 PHE A CE2 1 ATOM 718 C CZ . PHE A 1 93 ? -3.694 -18.016 21.286 1.00 12.21 ? 173 PHE A CZ 1 ATOM 719 N N . GLU A 1 94 ? -5.913 -14.674 23.902 1.00 7.92 ? 174 GLU A N 1 ATOM 720 C CA . GLU A 1 94 ? -6.588 -15.328 25.023 1.00 8.61 ? 174 GLU A CA 1 ATOM 721 C C . GLU A 1 94 ? -6.453 -16.854 24.996 1.00 8.49 ? 174 GLU A C 1 ATOM 722 O O . GLU A 1 94 ? -6.123 -17.472 26.010 1.00 9.86 ? 174 GLU A O 1 ATOM 723 C CB . GLU A 1 94 ? -8.071 -14.932 25.061 1.00 10.65 ? 174 GLU A CB 1 ATOM 724 C CG . GLU A 1 94 ? -8.332 -13.433 25.178 1.00 10.57 ? 174 GLU A CG 1 ATOM 725 C CD . GLU A 1 94 ? -8.107 -12.897 26.582 1.00 12.32 ? 174 GLU A CD 1 ATOM 726 O OE1 . GLU A 1 94 ? -7.891 -13.708 27.508 1.00 14.58 ? 174 GLU A OE1 1 ATOM 727 O OE2 . GLU A 1 94 ? -8.158 -11.662 26.763 1.00 12.55 ? 174 GLU A OE2 1 ATOM 728 N N . SER A 1 95 ? -6.715 -17.467 23.844 1.00 8.26 ? 175 SER A N 1 ATOM 729 C CA . SER A 1 95 ? -6.703 -18.926 23.749 1.00 8.50 ? 175 SER A CA 1 ATOM 730 C C . SER A 1 95 ? -6.699 -19.357 22.292 1.00 8.52 ? 175 SER A C 1 ATOM 731 O O . SER A 1 95 ? -7.186 -18.636 21.426 1.00 9.67 ? 175 SER A O 1 ATOM 732 C CB . SER A 1 95 ? -7.943 -19.510 24.447 1.00 9.40 ? 175 SER A CB 1 ATOM 733 O OG . SER A 1 95 ? -7.941 -20.932 24.448 1.00 9.09 ? 175 SER A OG 1 ATOM 734 N N . VAL A 1 96 ? -6.143 -20.528 22.006 1.00 7.73 ? 176 VAL A N 1 ATOM 735 C CA . VAL A 1 96 ? -6.439 -21.152 20.726 1.00 8.89 ? 176 VAL A CA 1 ATOM 736 C C . VAL A 1 96 ? -7.902 -21.579 20.824 1.00 8.87 ? 176 VAL A C 1 ATOM 737 O O . VAL A 1 96 ? -8.325 -22.096 21.858 1.00 10.71 ? 176 VAL A O 1 ATOM 738 C CB . VAL A 1 96 ? -5.525 -22.354 20.447 1.00 8.72 ? 176 VAL A CB 1 ATOM 739 C CG1 . VAL A 1 96 ? -5.876 -22.981 19.111 1.00 9.40 ? 176 VAL A CG1 1 ATOM 740 C CG2 . VAL A 1 96 ? -4.061 -21.917 20.454 1.00 9.06 ? 176 VAL A CG2 1 ATOM 741 N N . ALA A 1 97 ? -8.695 -21.335 19.782 1.00 7.43 ? 177 ALA A N 1 ATOM 742 C CA . ALA A 1 97 ? -10.132 -21.584 19.900 1.00 7.77 ? 177 ALA A CA 1 ATOM 743 C C . ALA A 1 97 ? -10.909 -21.461 18.602 1.00 6.74 ? 177 ALA A C 1 ATOM 744 O O . ALA A 1 97 ? -10.802 -20.453 17.908 1.00 9.05 ? 177 ALA A O 1 ATOM 745 C CB . ALA A 1 97 ? -10.744 -20.633 20.927 1.00 8.53 ? 177 ALA A CB 1 ATOM 746 N N . TRP A 1 98 ? -11.716 -22.475 18.295 1.00 8.43 ? 178 TRP A N 1 ATOM 747 C CA . TRP A 1 98 ? -12.771 -22.306 17.301 1.00 9.28 ? 178 TRP A CA 1 ATOM 748 C C . TRP A 1 98 ? -14.164 -22.278 17.940 1.00 8.39 ? 178 TRP A C 1 ATOM 749 O O . TRP A 1 98 ? -15.176 -22.174 17.248 1.00 9.30 ? 178 TRP A O 1 ATOM 750 C CB . TRP A 1 98 ? -12.673 -23.300 16.127 1.00 9.69 ? 178 TRP A CB 1 ATOM 751 C CG . TRP A 1 98 ? -12.378 -24.757 16.429 1.00 9.53 ? 178 TRP A CG 1 ATOM 752 C CD1 . TRP A 1 98 ? -11.238 -25.441 16.102 1.00 9.57 ? 178 TRP A CD1 1 ATOM 753 C CD2 . TRP A 1 98 ? -13.255 -25.715 17.042 1.00 9.82 ? 178 TRP A CD2 1 ATOM 754 N NE1 . TRP A 1 98 ? -11.343 -26.756 16.493 1.00 8.50 ? 178 TRP A NE1 1 ATOM 755 C CE2 . TRP A 1 98 ? -12.568 -26.949 17.078 1.00 8.60 ? 178 TRP A CE2 1 ATOM 756 C CE3 . TRP A 1 98 ? -14.543 -25.644 17.584 1.00 9.67 ? 178 TRP A CE3 1 ATOM 757 C CZ2 . TRP A 1 98 ? -13.132 -28.105 17.620 1.00 9.70 ? 178 TRP A CZ2 1 ATOM 758 C CZ3 . TRP A 1 98 ? -15.100 -26.791 18.130 1.00 10.66 ? 178 TRP A CZ3 1 ATOM 759 C CH2 . TRP A 1 98 ? -14.393 -28.004 18.146 1.00 9.99 ? 178 TRP A CH2 1 ATOM 760 N N . SER A 1 99 ? -14.192 -22.356 19.268 1.00 9.00 ? 179 SER A N 1 ATOM 761 C CA . SER A 1 99 ? -15.395 -22.126 20.068 1.00 8.18 ? 179 SER A CA 1 ATOM 762 C C . SER A 1 99 ? -14.912 -21.682 21.444 1.00 7.98 ? 179 SER A C 1 ATOM 763 O O . SER A 1 99 ? -13.879 -22.162 21.917 1.00 9.22 ? 179 SER A O 1 ATOM 764 C CB . SER A 1 99 ? -16.247 -23.398 20.169 1.00 8.30 ? 179 SER A CB 1 ATOM 765 O OG . SER A 1 99 ? -17.411 -23.177 20.950 1.00 8.95 ? 179 SER A OG 1 ATOM 766 N N . ALA A 1 100 ? -15.629 -20.763 22.086 1.00 7.37 ? 180 ALA A N 1 ATOM 767 C CA . ALA A 1 100 ? -15.100 -20.162 23.311 1.00 7.33 ? 180 ALA A CA 1 ATOM 768 C C . ALA A 1 100 ? -16.130 -19.525 24.241 1.00 8.23 ? 180 ALA A C 1 ATOM 769 O O . ALA A 1 100 ? -17.258 -19.221 23.853 1.00 9.53 ? 180 ALA A O 1 ATOM 770 C CB . ALA A 1 100 ? -14.016 -19.136 22.965 1.00 10.10 ? 180 ALA A CB 1 ATOM 771 N N . THR A 1 101 ? -15.702 -19.323 25.481 1.00 8.46 ? 181 THR A N 1 ATOM 772 C CA . THR A 1 101 ? -16.418 -18.504 26.443 1.00 8.14 ? 181 THR A CA 1 ATOM 773 C C . THR A 1 101 ? -15.359 -17.852 27.332 1.00 8.80 ? 181 THR A C 1 ATOM 774 O O . THR A 1 101 ? -14.233 -18.342 27.422 1.00 10.60 ? 181 THR A O 1 ATOM 775 C CB . THR A 1 101 ? -17.436 -19.329 27.271 1.00 8.78 ? 181 THR A CB 1 ATOM 776 O OG1 . THR A 1 101 ? -18.139 -18.467 28.177 1.00 9.95 ? 181 THR A OG1 1 ATOM 777 C CG2 . THR A 1 101 ? -16.744 -20.437 28.056 1.00 11.24 ? 181 THR A CG2 1 ATOM 778 N N . ALA A 1 102 ? -15.701 -16.728 27.951 1.00 8.20 ? 182 ALA A N 1 ATOM 779 C CA . ALA A 1 102 ? -14.771 -16.031 28.831 1.00 8.97 ? 182 ALA A CA 1 ATOM 780 C C . ALA A 1 102 ? -15.537 -15.190 29.843 1.00 8.87 ? 182 ALA A C 1 ATOM 781 O O . ALA A 1 102 ? -16.664 -14.774 29.584 1.00 8.91 ? 182 ALA A O 1 ATOM 782 C CB . ALA A 1 102 ? -13.803 -15.162 28.029 1.00 10.00 ? 182 ALA A CB 1 ATOM 783 N N . CYS A 1 103 ? -14.923 -14.958 30.998 1.00 8.89 ? 183 CYS A N 1 ATOM 784 C CA . CYS A 1 103 ? -15.525 -14.148 32.052 1.00 8.55 ? 183 CYS A CA 1 ATOM 785 C C . CYS A 1 103 ? -14.463 -13.777 33.082 1.00 10.28 ? 183 CYS A C 1 ATOM 786 O O . CYS A 1 103 ? -13.312 -14.191 32.965 1.00 13.57 ? 183 CYS A O 1 ATOM 787 C CB . CYS A 1 103 ? -16.711 -14.875 32.702 1.00 11.54 ? 183 CYS A CB 1 ATOM 788 S SG . CYS A 1 103 ? -16.428 -16.613 33.136 1.00 13.78 ? 183 CYS A SG 1 ATOM 789 N N . HIS A 1 104 ? -14.850 -12.994 34.084 1.00 9.78 ? 184 HIS A N 1 ATOM 790 C CA . HIS A 1 104 ? -13.909 -12.500 35.083 1.00 10.33 ? 184 HIS A CA 1 ATOM 791 C C . HIS A 1 104 ? -14.487 -12.749 36.472 1.00 11.29 ? 184 HIS A C 1 ATOM 792 O O . HIS A 1 104 ? -15.654 -12.455 36.719 1.00 13.26 ? 184 HIS A O 1 ATOM 793 C CB . HIS A 1 104 ? -13.670 -11.005 34.863 1.00 12.25 ? 184 HIS A CB 1 ATOM 794 C CG . HIS A 1 104 ? -12.460 -10.466 35.563 1.00 13.75 ? 184 HIS A CG 1 ATOM 795 N ND1 . HIS A 1 104 ? -12.389 -10.329 36.933 1.00 14.90 ? 184 HIS A ND1 1 ATOM 796 C CD2 . HIS A 1 104 ? -11.286 -9.997 35.076 1.00 13.91 ? 184 HIS A CD2 1 ATOM 797 C CE1 . HIS A 1 104 ? -11.216 -9.815 37.262 1.00 14.93 ? 184 HIS A CE1 1 ATOM 798 N NE2 . HIS A 1 104 ? -10.529 -9.600 36.153 1.00 14.24 ? 184 HIS A NE2 1 ATOM 799 N N . ASP A 1 105 ? -13.684 -13.292 37.382 1.00 10.76 ? 185 ASP A N 1 ATOM 800 C CA . ASP A 1 105 ? -14.214 -13.672 38.691 1.00 11.71 ? 185 ASP A CA 1 ATOM 801 C C . ASP A 1 105 ? -14.001 -12.616 39.774 1.00 11.86 ? 185 ASP A C 1 ATOM 802 O O . ASP A 1 105 ? -14.330 -12.840 40.938 1.00 12.36 ? 185 ASP A O 1 ATOM 803 C CB . ASP A 1 105 ? -13.666 -15.034 39.137 1.00 13.25 ? 185 ASP A CB 1 ATOM 804 C CG . ASP A 1 105 ? -12.177 -15.011 39.434 1.00 12.97 ? 185 ASP A CG 1 ATOM 805 O OD1 . ASP A 1 105 ? -11.565 -13.922 39.428 1.00 13.02 ? 185 ASP A OD1 1 ATOM 806 O OD2 . ASP A 1 105 ? -11.617 -16.100 39.685 1.00 13.83 ? 185 ASP A OD2 1 ATOM 807 N N . GLY A 1 106 ? -13.464 -11.464 39.382 1.00 11.85 ? 186 GLY A N 1 ATOM 808 C CA . GLY A 1 106 ? -13.153 -10.413 40.333 1.00 12.90 ? 186 GLY A CA 1 ATOM 809 C C . GLY A 1 106 ? -11.657 -10.277 40.525 1.00 13.50 ? 186 GLY A C 1 ATOM 810 O O . GLY A 1 106 ? -11.148 -9.183 40.777 1.00 15.48 ? 186 GLY A O 1 ATOM 811 N N . LYS A 1 107 ? -10.946 -11.393 40.397 1.00 13.59 ? 187 LYS A N 1 ATOM 812 C CA . LYS A 1 107 ? -9.491 -11.377 40.519 1.00 13.49 ? 187 LYS A CA 1 ATOM 813 C C . LYS A 1 107 ? -8.789 -11.504 39.168 1.00 14.46 ? 187 LYS A C 1 ATOM 814 O O . LYS A 1 107 ? -7.868 -10.741 38.873 1.00 16.55 ? 187 LYS A O 1 ATOM 815 C CB . LYS A 1 107 ? -9.010 -12.475 41.470 1.00 14.47 ? 187 LYS A CB 1 ATOM 816 C CG . LYS A 1 107 ? -9.519 -12.325 42.894 1.00 14.32 ? 187 LYS A CG 1 ATOM 817 C CD . LYS A 1 107 ? -8.843 -13.313 43.826 1.00 16.15 ? 187 LYS A CD 1 ATOM 818 C CE . LYS A 1 107 ? -9.470 -13.274 45.212 1.00 16.42 ? 187 LYS A CE 1 ATOM 819 N NZ . LYS A 1 107 ? -8.750 -14.157 46.174 1.00 17.74 ? 187 LYS A NZ 1 ATOM 820 N N . LYS A 1 108 ? -9.222 -12.465 38.353 1.00 13.40 ? 188 LYS A N 1 ATOM 821 C CA . LYS A 1 108 ? -8.562 -12.751 37.078 1.00 13.23 ? 188 LYS A CA 1 ATOM 822 C C . LYS A 1 108 ? -9.546 -13.078 35.957 1.00 11.38 ? 188 LYS A C 1 ATOM 823 O O . LYS A 1 108 ? -10.696 -13.452 36.210 1.00 12.81 ? 188 LYS A O 1 ATOM 824 C CB . LYS A 1 108 ? -7.594 -13.928 37.231 1.00 14.42 ? 188 LYS A CB 1 ATOM 825 C CG . LYS A 1 108 ? -6.544 -13.760 38.317 1.00 15.49 ? 188 LYS A CG 1 ATOM 826 C CD . LYS A 1 108 ? -5.488 -12.745 37.926 1.00 21.09 ? 188 LYS A CD 1 ATOM 827 C CE . LYS A 1 108 ? -4.407 -12.646 38.993 1.00 25.57 ? 188 LYS A CE 1 ATOM 828 N NZ . LYS A 1 108 ? -3.334 -11.687 38.613 1.00 29.78 ? 188 LYS A NZ 1 ATOM 829 N N . TRP A 1 109 ? -9.074 -12.944 34.720 1.00 10.63 ? 189 TRP A N 1 ATOM 830 C CA . TRP A 1 109 ? -9.815 -13.390 33.545 1.00 11.05 ? 189 TRP A CA 1 ATOM 831 C C . TRP A 1 109 ? -9.768 -14.903 33.378 1.00 10.93 ? 189 TRP A C 1 ATOM 832 O O . TRP A 1 109 ? -8.713 -15.525 33.513 1.00 12.16 ? 189 TRP A O 1 ATOM 833 C CB . TRP A 1 109 ? -9.258 -12.741 32.274 1.00 10.99 ? 189 TRP A CB 1 ATOM 834 C CG . TRP A 1 109 ? -9.662 -11.322 32.114 1.00 11.79 ? 189 TRP A CG 1 ATOM 835 C CD1 . TRP A 1 109 ? -8.888 -10.218 32.329 1.00 13.06 ? 189 TRP A CD1 1 ATOM 836 C CD2 . TRP A 1 109 ? -10.952 -10.839 31.723 1.00 13.14 ? 189 TRP A CD2 1 ATOM 837 N NE1 . TRP A 1 109 ? -9.617 -9.079 32.089 1.00 13.93 ? 189 TRP A NE1 1 ATOM 838 C CE2 . TRP A 1 109 ? -10.887 -9.433 31.714 1.00 14.68 ? 189 TRP A CE2 1 ATOM 839 C CE3 . TRP A 1 109 ? -12.156 -11.462 31.374 1.00 14.84 ? 189 TRP A CE3 1 ATOM 840 C CZ2 . TRP A 1 109 ? -11.982 -8.636 31.377 1.00 15.73 ? 189 TRP A CZ2 1 ATOM 841 C CZ3 . TRP A 1 109 ? -13.240 -10.671 31.037 1.00 15.47 ? 189 TRP A CZ3 1 ATOM 842 C CH2 . TRP A 1 109 ? -13.145 -9.274 31.039 1.00 16.07 ? 189 TRP A CH2 1 ATOM 843 N N . LEU A 1 110 ? -10.924 -15.479 33.074 1.00 11.06 ? 190 LEU A N 1 ATOM 844 C CA . LEU A 1 110 ? -11.032 -16.885 32.713 1.00 9.46 ? 190 LEU A CA 1 ATOM 845 C C . LEU A 1 110 ? -11.370 -16.967 31.228 1.00 10.39 ? 190 LEU A C 1 ATOM 846 O O . LEU A 1 110 ? -12.302 -16.316 30.763 1.00 11.47 ? 190 LEU A O 1 ATOM 847 C CB . LEU A 1 110 ? -12.136 -17.554 33.535 1.00 11.59 ? 190 LEU A CB 1 ATOM 848 C CG . LEU A 1 110 ? -12.348 -19.053 33.315 1.00 12.61 ? 190 LEU A CG 1 ATOM 849 C CD1 . LEU A 1 110 ? -11.247 -19.846 33.997 1.00 13.69 ? 190 LEU A CD1 1 ATOM 850 C CD2 . LEU A 1 110 ? -13.717 -19.481 33.832 1.00 14.82 ? 190 LEU A CD2 1 ATOM 851 N N . ALA A 1 111 ? -10.599 -17.746 30.478 1.00 10.51 ? 191 ALA A N 1 ATOM 852 C CA . ALA A 1 111 ? -10.912 -17.972 29.070 1.00 11.75 ? 191 ALA A CA 1 ATOM 853 C C . ALA A 1 111 ? -10.930 -19.461 28.762 1.00 12.61 ? 191 ALA A C 1 ATOM 854 O O . ALA A 1 111 ? -9.995 -20.183 29.102 1.00 14.64 ? 191 ALA A O 1 ATOM 855 C CB . ALA A 1 111 ? -9.918 -17.250 28.169 1.00 13.33 ? 191 ALA A CB 1 ATOM 856 N N . VAL A 1 112 ? -12.006 -19.911 28.128 1.00 11.43 ? 192 VAL A N 1 ATOM 857 C CA . VAL A 1 112 ? -12.163 -21.313 27.768 1.00 11.29 ? 192 VAL A CA 1 ATOM 858 C C . VAL A 1 112 ? -12.218 -21.421 26.254 1.00 9.29 ? 192 VAL A C 1 ATOM 859 O O . VAL A 1 112 ? -13.143 -20.909 25.628 1.00 10.98 ? 192 VAL A O 1 ATOM 860 C CB . VAL A 1 112 ? -13.453 -21.904 28.370 1.00 10.73 ? 192 VAL A CB 1 ATOM 861 C CG1 . VAL A 1 112 ? -13.609 -23.372 27.981 1.00 12.25 ? 192 VAL A CG1 1 ATOM 862 C CG2 . VAL A 1 112 ? -13.460 -21.743 29.888 1.00 12.72 ? 192 VAL A CG2 1 ATOM 863 N N . GLY A 1 113 ? -11.218 -22.076 25.666 1.00 8.43 ? 193 GLY A N 1 ATOM 864 C CA . GLY A 1 113 ? -11.116 -22.170 24.221 1.00 9.30 ? 193 GLY A CA 1 ATOM 865 C C . GLY A 1 113 ? -10.984 -23.599 23.737 1.00 8.60 ? 193 GLY A C 1 ATOM 866 O O . GLY A 1 113 ? -10.142 -24.356 24.221 1.00 8.64 ? 193 GLY A O 1 ATOM 867 N N . ILE A 1 114 ? -11.818 -23.967 22.769 1.00 8.83 ? 194 ILE A N 1 ATOM 868 C CA . ILE A 1 114 ? -11.838 -25.328 22.245 1.00 8.80 ? 194 ILE A CA 1 ATOM 869 C C . ILE A 1 114 ? -11.107 -25.411 20.911 1.00 8.50 ? 194 ILE A C 1 ATOM 870 O O . ILE A 1 114 ? -11.351 -24.608 20.013 1.00 9.44 ? 194 ILE A O 1 ATOM 871 C CB . ILE A 1 114 ? -13.284 -25.820 22.040 1.00 9.50 ? 194 ILE A CB 1 ATOM 872 C CG1 . ILE A 1 114 ? -14.033 -25.830 23.377 1.00 10.84 ? 194 ILE A CG1 1 ATOM 873 C CG2 . ILE A 1 114 ? -13.298 -27.199 21.381 1.00 10.00 ? 194 ILE A CG2 1 ATOM 874 C CD1 . ILE A 1 114 ? -15.539 -25.854 23.230 1.00 10.69 ? 194 ILE A CD1 1 ATOM 875 N N . SER A 1 115 ? -10.210 -26.383 20.787 1.00 8.89 ? 195 SER A N 1 ATOM 876 C CA . SER A 1 115 ? -9.558 -26.650 19.511 1.00 9.22 ? 195 SER A CA 1 ATOM 877 C C . SER A 1 115 ? -9.391 -28.159 19.320 1.00 9.92 ? 195 SER A C 1 ATOM 878 O O . SER A 1 115 ? -9.896 -28.951 20.116 1.00 9.97 ? 195 SER A O 1 ATOM 879 C CB . SER A 1 115 ? -8.214 -25.916 19.425 1.00 9.50 ? 195 SER A CB 1 ATOM 880 O OG . SER A 1 115 ? -7.743 -25.849 18.086 1.00 10.50 ? 195 SER A OG 1 ATOM 881 N N . GLY A 1 116 ? -8.693 -28.554 18.262 1.00 10.81 ? 196 GLY A N 1 ATOM 882 C CA . GLY A 1 116 ? -8.531 -29.962 17.948 1.00 10.59 ? 196 GLY A CA 1 ATOM 883 C C . GLY A 1 116 ? -9.494 -30.444 16.879 1.00 10.76 ? 196 GLY A C 1 ATOM 884 O O . GLY A 1 116 ? -10.308 -29.671 16.358 1.00 11.53 ? 196 GLY A O 1 ATOM 885 N N . ALA A 1 117 ? -9.400 -31.732 16.558 1.00 11.50 ? 197 ALA A N 1 ATOM 886 C CA . ALA A 1 117 ? -10.243 -32.358 15.541 1.00 11.70 ? 197 ALA A CA 1 ATOM 887 C C . ALA A 1 117 ? -11.698 -32.490 15.993 1.00 12.31 ? 197 ALA A C 1 ATOM 888 O O . ALA A 1 117 ? -11.985 -32.548 17.187 1.00 12.46 ? 197 ALA A O 1 ATOM 889 C CB . ALA A 1 117 ? -9.682 -33.727 15.170 1.00 12.28 ? 197 ALA A CB 1 ATOM 890 N N . ASP A 1 118 ? -12.613 -32.545 15.030 1.00 11.48 ? 198 ASP A N 1 ATOM 891 C CA . ASP A 1 118 ? -14.038 -32.671 15.332 1.00 12.49 ? 198 ASP A CA 1 ATOM 892 C C . ASP A 1 118 ? -14.347 -33.882 16.206 1.00 13.03 ? 198 ASP A C 1 ATOM 893 O O . ASP A 1 118 ? -15.231 -33.827 17.060 1.00 13.95 ? 198 ASP A O 1 ATOM 894 C CB . ASP A 1 118 ? -14.863 -32.742 14.044 1.00 13.48 ? 198 ASP A CB 1 ATOM 895 C CG . ASP A 1 118 ? -14.983 -31.399 13.349 1.00 15.19 ? 198 ASP A CG 1 ATOM 896 O OD1 . ASP A 1 118 ? -14.479 -30.394 13.891 1.00 16.10 ? 198 ASP A OD1 1 ATOM 897 O OD2 . ASP A 1 118 ? -15.590 -31.350 12.257 1.00 17.74 ? 198 ASP A OD2 1 ATOM 898 N N . ASP A 1 119 ? -13.621 -34.975 15.993 1.00 13.26 ? 199 ASP A N 1 ATOM 899 C CA . ASP A 1 119 ? -13.907 -36.209 16.720 1.00 14.47 ? 199 ASP A CA 1 ATOM 900 C C . ASP A 1 119 ? -13.086 -36.378 17.997 1.00 13.78 ? 199 ASP A C 1 ATOM 901 O O . ASP A 1 119 ? -13.156 -37.418 18.644 1.00 14.87 ? 199 ASP A O 1 ATOM 902 C CB . ASP A 1 119 ? -13.749 -37.434 15.811 1.00 16.14 ? 199 ASP A CB 1 ATOM 903 C CG . ASP A 1 119 ? -12.311 -37.682 15.399 1.00 19.82 ? 199 ASP A CG 1 ATOM 904 O OD1 . ASP A 1 119 ? -11.422 -36.902 15.798 1.00 21.43 ? 199 ASP A OD1 1 ATOM 905 O OD2 . ASP A 1 119 ? -12.070 -38.667 14.670 1.00 21.54 ? 199 ASP A OD2 1 ATOM 906 N N . ASP A 1 120 ? -12.320 -35.356 18.370 1.00 12.65 ? 200 ASP A N 1 ATOM 907 C CA . ASP A 1 120 ? -11.524 -35.432 19.592 1.00 14.05 ? 200 ASP A CA 1 ATOM 908 C C . ASP A 1 120 ? -11.049 -34.053 20.021 1.00 12.12 ? 200 ASP A C 1 ATOM 909 O O . ASP A 1 120 ? -9.864 -33.836 20.276 1.00 13.62 ? 200 ASP A O 1 ATOM 910 C CB . ASP A 1 120 ? -10.335 -36.379 19.401 1.00 17.48 ? 200 ASP A CB 1 ATOM 911 C CG . ASP A 1 120 ? -10.049 -37.215 20.636 1.00 20.92 ? 200 ASP A CG 1 ATOM 912 O OD1 . ASP A 1 120 ? -10.638 -36.940 21.701 1.00 22.40 ? 200 ASP A OD1 1 ATOM 913 O OD2 . ASP A 1 120 ? -9.236 -38.156 20.539 1.00 23.35 ? 200 ASP A OD2 1 ATOM 914 N N . ALA A 1 121 ? -11.993 -33.124 20.106 1.00 10.84 ? 201 ALA A N 1 ATOM 915 C CA . ALA A 1 121 ? -11.684 -31.759 20.501 1.00 10.02 ? 201 ALA A CA 1 ATOM 916 C C . ALA A 1 121 ? -11.486 -31.662 22.004 1.00 10.28 ? 201 ALA A C 1 ATOM 917 O O . ALA A 1 121 ? -11.897 -32.545 22.765 1.00 10.72 ? 201 ALA A O 1 ATOM 918 C CB . ALA A 1 121 ? -12.791 -30.815 20.052 1.00 9.92 ? 201 ALA A CB 1 ATOM 919 N N . TYR A 1 122 ? -10.852 -30.582 22.436 1.00 9.89 ? 202 TYR A N 1 ATOM 920 C CA . TYR A 1 122 ? -10.726 -30.328 23.861 1.00 8.39 ? 202 TYR A CA 1 ATOM 921 C C . TYR A 1 122 ? -10.669 -28.844 24.173 1.00 9.57 ? 202 TYR A C 1 ATOM 922 O O . TYR A 1 122 ? -10.146 -28.050 23.391 1.00 10.15 ? 202 TYR A O 1 ATOM 923 C CB . TYR A 1 122 ? -9.527 -31.071 24.468 1.00 10.11 ? 202 TYR A CB 1 ATOM 924 C CG . TYR A 1 122 ? -8.159 -30.620 24.005 1.00 9.46 ? 202 TYR A CG 1 ATOM 925 C CD1 . TYR A 1 122 ? -7.434 -29.679 24.727 1.00 10.37 ? 202 TYR A CD1 1 ATOM 926 C CD2 . TYR A 1 122 ? -7.573 -31.164 22.871 1.00 9.63 ? 202 TYR A CD2 1 ATOM 927 C CE1 . TYR A 1 122 ? -6.173 -29.279 24.319 1.00 12.13 ? 202 TYR A CE1 1 ATOM 928 C CE2 . TYR A 1 122 ? -6.313 -30.767 22.453 1.00 11.40 ? 202 TYR A CE2 1 ATOM 929 C CZ . TYR A 1 122 ? -5.618 -29.825 23.183 1.00 11.64 ? 202 TYR A CZ 1 ATOM 930 O OH . TYR A 1 122 ? -4.364 -29.428 22.781 1.00 11.77 ? 202 TYR A OH 1 ATOM 931 N N . ALA A 1 123 ? -11.247 -28.477 25.310 1.00 10.17 ? 203 ALA A N 1 ATOM 932 C CA . ALA A 1 123 ? -11.184 -27.108 25.785 1.00 10.06 ? 203 ALA A CA 1 ATOM 933 C C . ALA A 1 123 ? -9.947 -26.943 26.646 1.00 8.44 ? 203 ALA A C 1 ATOM 934 O O . ALA A 1 123 ? -9.621 -27.811 27.462 1.00 9.76 ? 203 ALA A O 1 ATOM 935 C CB . ALA A 1 123 ? -12.429 -26.758 26.590 1.00 9.78 ? 203 ALA A CB 1 ATOM 936 N N . VAL A 1 124 ? -9.246 -25.837 26.445 1.00 8.36 ? 204 VAL A N 1 ATOM 937 C CA . VAL A 1 124 ? -8.174 -25.450 27.346 1.00 7.78 ? 204 VAL A CA 1 ATOM 938 C C . VAL A 1 124 ? -8.670 -24.275 28.172 1.00 8.32 ? 204 VAL A C 1 ATOM 939 O O . VAL A 1 124 ? -9.170 -23.282 27.630 1.00 8.84 ? 204 VAL A O 1 ATOM 940 C CB . VAL A 1 124 ? -6.893 -25.063 26.594 1.00 8.98 ? 204 VAL A CB 1 ATOM 941 C CG1 . VAL A 1 124 ? -5.819 -24.623 27.584 1.00 9.75 ? 204 VAL A CG1 1 ATOM 942 C CG2 . VAL A 1 124 ? -6.403 -26.236 25.757 1.00 9.21 ? 204 VAL A CG2 1 ATOM 943 N N . ILE A 1 125 ? -8.564 -24.411 29.487 1.00 8.29 ? 205 ILE A N 1 ATOM 944 C CA . ILE A 1 125 ? -8.981 -23.365 30.401 1.00 9.32 ? 205 ILE A CA 1 ATOM 945 C C . ILE A 1 125 ? -7.781 -22.511 30.774 1.00 9.81 ? 205 ILE A C 1 ATOM 946 O O . ILE A 1 125 ? -6.760 -23.020 31.234 1.00 11.84 ? 205 ILE A O 1 ATOM 947 C CB . ILE A 1 125 ? -9.629 -23.956 31.662 1.00 12.23 ? 205 ILE A CB 1 ATOM 948 C CG1 . ILE A 1 125 ? -10.778 -24.885 31.266 1.00 15.76 ? 205 ILE A CG1 1 ATOM 949 C CG2 . ILE A 1 125 ? -10.116 -22.843 32.582 1.00 12.06 ? 205 ILE A CG2 1 ATOM 950 C CD1 . ILE A 1 125 ? -11.309 -25.708 32.403 1.00 17.06 ? 205 ILE A CD1 1 ATOM 951 N N . HIS A 1 126 ? -7.911 -21.212 30.534 1.00 9.54 ? 206 HIS A N 1 ATOM 952 C CA . HIS A 1 126 ? -6.869 -20.241 30.827 1.00 9.06 ? 206 HIS A CA 1 ATOM 953 C C . HIS A 1 126 ? -7.345 -19.375 31.982 1.00 10.57 ? 206 HIS A C 1 ATOM 954 O O . HIS A 1 126 ? -8.456 -18.840 31.944 1.00 12.31 ? 206 HIS A O 1 ATOM 955 C CB . HIS A 1 126 ? -6.631 -19.333 29.618 1.00 9.52 ? 206 HIS A CB 1 ATOM 956 C CG . HIS A 1 126 ? -6.075 -20.030 28.414 1.00 9.99 ? 206 HIS A CG 1 ATOM 957 N ND1 . HIS A 1 126 ? -6.839 -20.823 27.582 1.00 11.77 ? 206 HIS A ND1 1 ATOM 958 C CD2 . HIS A 1 126 ? -4.835 -20.003 27.872 1.00 8.53 ? 206 HIS A CD2 1 ATOM 959 C CE1 . HIS A 1 126 ? -6.085 -21.275 26.595 1.00 8.96 ? 206 HIS A CE1 1 ATOM 960 N NE2 . HIS A 1 126 ? -4.866 -20.792 26.747 1.00 12.29 ? 206 HIS A NE2 1 ATOM 961 N N . TYR A 1 127 ? -6.510 -19.229 33.005 1.00 9.61 ? 207 TYR A N 1 ATOM 962 C CA . TYR A 1 127 ? -6.864 -18.405 34.151 1.00 10.67 ? 207 TYR A CA 1 ATOM 963 C C . TYR A 1 127 ? -5.713 -17.468 34.479 1.00 12.42 ? 207 TYR A C 1 ATOM 964 O O . TYR A 1 127 ? -4.602 -17.914 34.762 1.00 13.41 ? 207 TYR A O 1 ATOM 965 C CB . TYR A 1 127 ? -7.218 -19.275 35.362 1.00 11.46 ? 207 TYR A CB 1 ATOM 966 C CG . TYR A 1 127 ? -7.698 -18.473 36.553 1.00 11.16 ? 207 TYR A CG 1 ATOM 967 C CD1 . TYR A 1 127 ? -8.949 -17.867 36.546 1.00 11.74 ? 207 TYR A CD1 1 ATOM 968 C CD2 . TYR A 1 127 ? -6.902 -18.316 37.680 1.00 11.39 ? 207 TYR A CD2 1 ATOM 969 C CE1 . TYR A 1 127 ? -9.396 -17.131 37.631 1.00 11.26 ? 207 TYR A CE1 1 ATOM 970 C CE2 . TYR A 1 127 ? -7.340 -17.579 38.765 1.00 12.27 ? 207 TYR A CE2 1 ATOM 971 C CZ . TYR A 1 127 ? -8.584 -16.990 38.737 1.00 11.46 ? 207 TYR A CZ 1 ATOM 972 O OH . TYR A 1 127 ? -9.011 -16.255 39.821 1.00 13.15 ? 207 TYR A OH 1 ATOM 973 N N . GLY A 1 128 ? -5.978 -16.166 34.428 1.00 11.59 ? 208 GLY A N 1 ATOM 974 C CA . GLY A 1 128 ? -4.928 -15.179 34.600 1.00 13.45 ? 208 GLY A CA 1 ATOM 975 C C . GLY A 1 128 ? -3.848 -15.329 33.547 1.00 14.67 ? 208 GLY A C 1 ATOM 976 O O . GLY A 1 128 ? -2.691 -14.981 33.778 1.00 16.88 ? 208 GLY A O 1 ATOM 977 N N . GLY A 1 129 ? -4.227 -15.858 32.387 1.00 14.07 ? 209 GLY A N 1 ATOM 978 C CA . GLY A 1 129 ? -3.298 -16.014 31.283 1.00 14.88 ? 209 GLY A CA 1 ATOM 979 C C . GLY A 1 129 ? -2.502 -17.306 31.310 1.00 15.88 ? 209 GLY A C 1 ATOM 980 O O . GLY A 1 129 ? -1.693 -17.555 30.419 1.00 17.68 ? 209 GLY A O 1 ATOM 981 N N . MET A 1 130 ? -2.727 -18.130 32.329 1.00 15.78 ? 210 MET A N 1 ATOM 982 C CA . MET A 1 130 ? -2.023 -19.404 32.440 1.00 16.47 ? 210 MET A CA 1 ATOM 983 C C . MET A 1 130 ? -2.955 -20.582 32.172 1.00 15.91 ? 210 MET A C 1 ATOM 984 O O . MET A 1 130 ? -4.100 -20.588 32.619 1.00 15.04 ? 210 MET A O 1 ATOM 985 C CB . MET A 1 130 ? -1.391 -19.539 33.826 1.00 19.43 ? 210 MET A CB 1 ATOM 986 C CG . MET A 1 130 ? -0.480 -18.379 34.182 1.00 20.75 ? 210 MET A CG 1 ATOM 987 S SD . MET A 1 130 ? 0.970 -18.282 33.115 1.00 21.82 ? 210 MET A SD 1 ATOM 988 C CE . MET A 1 130 ? 1.358 -16.538 33.249 1.00 26.14 ? 210 MET A CE 1 ATOM 989 N N . PRO A 1 131 ? -2.463 -21.588 31.437 1.00 15.23 ? 211 PRO A N 1 ATOM 990 C CA . PRO A 1 131 ? -3.266 -22.792 31.210 1.00 14.53 ? 211 PRO A CA 1 ATOM 991 C C . PRO A 1 131 ? -3.401 -23.544 32.526 1.00 14.20 ? 211 PRO A C 1 ATOM 992 O O . PRO A 1 131 ? -2.387 -23.812 33.170 1.00 18.31 ? 211 PRO A O 1 ATOM 993 C CB . PRO A 1 131 ? -2.418 -23.594 30.224 1.00 15.78 ? 211 PRO A CB 1 ATOM 994 C CG . PRO A 1 131 ? -1.013 -23.162 30.509 1.00 16.33 ? 211 PRO A CG 1 ATOM 995 C CD . PRO A 1 131 ? -1.097 -21.714 30.903 1.00 16.82 ? 211 PRO A CD 1 ATOM 996 N N . THR A 1 132 ? -4.627 -23.865 32.924 1.00 12.11 ? 212 THR A N 1 ATOM 997 C CA . THR A 1 132 ? -4.866 -24.474 34.229 1.00 12.27 ? 212 THR A CA 1 ATOM 998 C C . THR A 1 132 ? -5.531 -25.849 34.171 1.00 11.42 ? 212 THR A C 1 ATOM 999 O O . THR A 1 132 ? -5.279 -26.695 35.027 1.00 13.56 ? 212 THR A O 1 ATOM 1000 C CB . THR A 1 132 ? -5.703 -23.548 35.132 1.00 12.93 ? 212 THR A CB 1 ATOM 1001 O OG1 . THR A 1 132 ? -6.859 -23.103 34.416 1.00 14.01 ? 212 THR A OG1 1 ATOM 1002 C CG2 . THR A 1 132 ? -4.888 -22.336 35.555 1.00 13.81 ? 212 THR A CG2 1 ATOM 1003 N N . ASP A 1 133 ? -6.371 -26.081 33.169 1.00 10.73 ? 213 ASP A N 1 ATOM 1004 C CA . ASP A 1 133 ? -7.123 -27.331 33.109 1.00 11.07 ? 213 ASP A CA 1 ATOM 1005 C C . ASP A 1 133 ? -7.607 -27.588 31.687 1.00 10.27 ? 213 ASP A C 1 ATOM 1006 O O . ASP A 1 133 ? -7.500 -26.722 30.813 1.00 10.75 ? 213 ASP A O 1 ATOM 1007 C CB . ASP A 1 133 ? -8.314 -27.262 34.073 1.00 13.11 ? 213 ASP A CB 1 ATOM 1008 C CG . ASP A 1 133 ? -8.731 -28.625 34.612 1.00 13.56 ? 213 ASP A CG 1 ATOM 1009 O OD1 . ASP A 1 133 ? -8.185 -29.664 34.172 1.00 14.51 ? 213 ASP A OD1 1 ATOM 1010 O OD2 . ASP A 1 133 ? -9.615 -28.652 35.496 1.00 14.73 ? 213 ASP A OD2 1 ATOM 1011 N N . VAL A 1 134 ? -8.130 -28.788 31.458 1.00 11.76 ? 214 VAL A N 1 ATOM 1012 C CA . VAL A 1 134 ? -8.698 -29.144 30.165 1.00 12.53 ? 214 VAL A CA 1 ATOM 1013 C C . VAL A 1 134 ? -10.027 -29.859 30.346 1.00 13.10 ? 214 VAL A C 1 ATOM 1014 O O . VAL A 1 134 ? -10.259 -30.508 31.365 1.00 15.46 ? 214 VAL A O 1 ATOM 1015 C CB . VAL A 1 134 ? -7.756 -30.064 29.357 1.00 14.23 ? 214 VAL A CB 1 ATOM 1016 C CG1 . VAL A 1 134 ? -6.456 -29.351 29.014 1.00 15.03 ? 214 VAL A CG1 1 ATOM 1017 C CG2 . VAL A 1 134 ? -7.487 -31.352 30.114 1.00 17.45 ? 214 VAL A CG2 1 ATOM 1018 N N . VAL A 1 135 ? -10.899 -29.731 29.352 1.00 11.33 ? 215 VAL A N 1 ATOM 1019 C CA . VAL A 1 135 ? -12.111 -30.537 29.285 1.00 11.76 ? 215 VAL A CA 1 ATOM 1020 C C . VAL A 1 135 ? -12.140 -31.259 27.946 1.00 10.97 ? 215 VAL A C 1 ATOM 1021 O O . VAL A 1 135 ? -12.125 -30.628 26.891 1.00 11.73 ? 215 VAL A O 1 ATOM 1022 C CB . VAL A 1 135 ? -13.384 -29.687 29.418 1.00 12.55 ? 215 VAL A CB 1 ATOM 1023 C CG1 . VAL A 1 135 ? -14.621 -30.567 29.265 1.00 14.11 ? 215 VAL A CG1 1 ATOM 1024 C CG2 . VAL A 1 135 ? -13.404 -28.958 30.753 1.00 15.84 ? 215 VAL A CG2 1 ATOM 1025 N N . ARG A 1 136 ? -12.163 -32.584 27.982 1.00 11.53 ? 216 ARG A N 1 ATOM 1026 C CA . ARG A 1 136 ? -12.185 -33.350 26.746 1.00 12.17 ? 216 ARG A CA 1 ATOM 1027 C C . ARG A 1 136 ? -13.602 -33.566 26.230 1.00 12.19 ? 216 ARG A C 1 ATOM 1028 O O . ARG A 1 136 ? -14.560 -33.609 26.999 1.00 13.88 ? 216 ARG A O 1 ATOM 1029 C CB . ARG A 1 136 ? -11.480 -34.694 26.922 1.00 15.00 ? 216 ARG A CB 1 ATOM 1030 C CG . ARG A 1 136 ? -9.975 -34.575 27.075 1.00 18.63 ? 216 ARG A CG 1 ATOM 1031 C CD . ARG A 1 136 ? -9.304 -35.929 26.943 1.00 20.44 ? 216 ARG A CD 1 ATOM 1032 N NE . ARG A 1 136 ? -9.477 -36.497 25.608 1.00 20.17 ? 216 ARG A NE 1 ATOM 1033 C CZ . ARG A 1 136 ? -8.982 -37.672 25.232 1.00 23.09 ? 216 ARG A CZ 1 ATOM 1034 N NH1 . ARG A 1 136 ? -8.285 -38.405 26.090 1.00 25.60 ? 216 ARG A NH1 1 ATOM 1035 N NH2 . ARG A 1 136 ? -9.182 -38.117 23.999 1.00 25.32 ? 216 ARG A NH2 1 ATOM 1036 N N . SER A 1 137 ? -13.720 -33.686 24.913 1.00 12.10 ? 217 SER A N 1 ATOM 1037 C CA . SER A 1 137 ? -14.965 -34.080 24.280 1.00 9.94 ? 217 SER A CA 1 ATOM 1038 C C . SER A 1 137 ? -15.415 -35.425 24.844 1.00 12.46 ? 217 SER A C 1 ATOM 1039 O O . SER A 1 137 ? -14.624 -36.367 24.910 1.00 14.93 ? 217 SER A O 1 ATOM 1040 C CB . SER A 1 137 ? -14.752 -34.170 22.769 1.00 11.60 ? 217 SER A CB 1 ATOM 1041 O OG . SER A 1 137 ? -15.901 -34.652 22.102 1.00 11.49 ? 217 SER A OG 1 ATOM 1042 N N . TRP A 1 138 ? -16.678 -35.516 25.254 1.00 12.07 ? 218 TRP A N 1 ATOM 1043 C CA . TRP A 1 138 ? -17.197 -36.751 25.836 1.00 12.16 ? 218 TRP A CA 1 ATOM 1044 C C . TRP A 1 138 ? -18.099 -37.539 24.877 1.00 12.78 ? 218 TRP A C 1 ATOM 1045 O O . TRP A 1 138 ? -18.401 -38.712 25.126 1.00 15.73 ? 218 TRP A O 1 ATOM 1046 C CB . TRP A 1 138 ? -17.909 -36.476 27.172 1.00 12.51 ? 218 TRP A CB 1 ATOM 1047 C CG . TRP A 1 138 ? -19.202 -35.723 27.040 1.00 13.01 ? 218 TRP A CG 1 ATOM 1048 C CD1 . TRP A 1 138 ? -20.452 -36.261 26.933 1.00 13.90 ? 218 TRP A CD1 1 ATOM 1049 C CD2 . TRP A 1 138 ? -19.374 -34.300 27.002 1.00 12.90 ? 218 TRP A CD2 1 ATOM 1050 N NE1 . TRP A 1 138 ? -21.390 -35.264 26.828 1.00 13.99 ? 218 TRP A NE1 1 ATOM 1051 C CE2 . TRP A 1 138 ? -20.755 -34.050 26.869 1.00 13.44 ? 218 TRP A CE2 1 ATOM 1052 C CE3 . TRP A 1 138 ? -18.495 -33.213 27.070 1.00 14.11 ? 218 TRP A CE3 1 ATOM 1053 C CZ2 . TRP A 1 138 ? -21.278 -32.760 26.798 1.00 13.54 ? 218 TRP A CZ2 1 ATOM 1054 C CZ3 . TRP A 1 138 ? -19.017 -31.931 27.001 1.00 13.65 ? 218 TRP A CZ3 1 ATOM 1055 C CH2 . TRP A 1 138 ? -20.395 -31.716 26.865 1.00 13.28 ? 218 TRP A CH2 1 ATOM 1056 N N . ARG A 1 139 ? -18.520 -36.899 23.787 1.00 13.03 ? 219 ARG A N 1 ATOM 1057 C CA . ARG A 1 139 ? -19.300 -37.569 22.745 1.00 13.79 ? 219 ARG A CA 1 ATOM 1058 C C . ARG A 1 139 ? -18.539 -37.631 21.422 1.00 13.55 ? 219 ARG A C 1 ATOM 1059 O O . ARG A 1 139 ? -19.009 -38.230 20.452 1.00 14.30 ? 219 ARG A O 1 ATOM 1060 C CB . ARG A 1 139 ? -20.651 -36.876 22.532 1.00 15.86 ? 219 ARG A CB 1 ATOM 1061 C CG . ARG A 1 139 ? -21.610 -36.999 23.702 1.00 18.57 ? 219 ARG A CG 1 ATOM 1062 C CD . ARG A 1 139 ? -21.967 -38.450 23.981 1.00 22.77 ? 219 ARG A CD 1 ATOM 1063 N NE . ARG A 1 139 ? -22.968 -38.570 25.037 1.00 28.12 ? 219 ARG A NE 1 ATOM 1064 C CZ . ARG A 1 139 ? -24.282 -38.556 24.827 1.00 30.99 ? 219 ARG A CZ 1 ATOM 1065 N NH1 . ARG A 1 139 ? -24.758 -38.425 23.595 1.00 31.80 ? 219 ARG A NH1 1 ATOM 1066 N NH2 . ARG A 1 139 ? -25.120 -38.670 25.849 1.00 31.91 ? 219 ARG A NH2 1 ATOM 1067 N N . LYS A 1 140 ? -17.370 -37.001 21.388 1.00 12.44 ? 220 LYS A N 1 ATOM 1068 C CA . LYS A 1 140 ? -16.502 -37.020 20.212 1.00 12.43 ? 220 LYS A CA 1 ATOM 1069 C C . LYS A 1 140 ? -17.197 -36.467 18.971 1.00 13.16 ? 220 LYS A C 1 ATOM 1070 O O . LYS A 1 140 ? -17.026 -36.983 17.863 1.00 13.81 ? 220 LYS A O 1 ATOM 1071 C CB . LYS A 1 140 ? -15.989 -38.438 19.949 1.00 14.73 ? 220 LYS A CB 1 ATOM 1072 C CG . LYS A 1 140 ? -15.387 -39.109 21.177 1.00 16.03 ? 220 LYS A CG 1 ATOM 1073 C CD . LYS A 1 140 ? -14.252 -38.284 21.768 1.00 16.70 ? 220 LYS A CD 1 ATOM 1074 C CE . LYS A 1 140 ? -13.658 -38.955 22.999 1.00 20.25 ? 220 LYS A CE 1 ATOM 1075 N NZ . LYS A 1 140 ? -12.640 -38.093 23.662 1.00 21.38 ? 220 LYS A NZ 1 ATOM 1076 N N . GLN A 1 141 ? -17.971 -35.405 19.160 1.00 11.97 ? 221 GLN A N 1 ATOM 1077 C CA . GLN A 1 141 ? -18.731 -34.813 18.067 1.00 13.03 ? 221 GLN A CA 1 ATOM 1078 C C . GLN A 1 141 ? -18.815 -33.300 18.201 1.00 11.68 ? 221 GLN A C 1 ATOM 1079 O O . GLN A 1 141 ? -19.869 -32.756 18.537 1.00 12.04 ? 221 GLN A O 1 ATOM 1080 C CB . GLN A 1 141 ? -20.141 -35.393 18.023 1.00 17.02 ? 221 GLN A CB 1 ATOM 1081 C CG . GLN A 1 141 ? -20.196 -36.900 17.972 1.00 22.85 ? 221 GLN A CG 1 ATOM 1082 C CD . GLN A 1 141 ? -21.604 -37.412 18.135 1.00 25.45 ? 221 GLN A CD 1 ATOM 1083 O OE1 . GLN A 1 141 ? -21.931 -38.064 19.128 1.00 26.71 ? 221 GLN A OE1 1 ATOM 1084 N NE2 . GLN A 1 141 ? -22.457 -37.100 17.169 1.00 24.38 ? 221 GLN A NE2 1 ATOM 1085 N N . ILE A 1 142 ? -17.699 -32.632 17.924 1.00 10.75 ? 222 ILE A N 1 ATOM 1086 C CA . ILE A 1 142 ? -17.625 -31.173 17.929 1.00 10.34 ? 222 ILE A CA 1 ATOM 1087 C C . ILE A 1 142 ? -18.012 -30.571 19.279 1.00 10.83 ? 222 ILE A C 1 ATOM 1088 O O . ILE A 1 142 ? -19.010 -29.857 19.404 1.00 11.40 ? 222 ILE A O 1 ATOM 1089 C CB . ILE A 1 142 ? -18.460 -30.538 16.786 1.00 11.19 ? 222 ILE A CB 1 ATOM 1090 C CG1 . ILE A 1 142 ? -18.236 -31.301 15.479 1.00 13.68 ? 222 ILE A CG1 1 ATOM 1091 C CG2 . ILE A 1 142 ? -18.094 -29.065 16.612 1.00 12.31 ? 222 ILE A CG2 1 ATOM 1092 C CD1 . ILE A 1 142 ? -19.114 -30.825 14.336 1.00 15.02 ? 222 ILE A CD1 1 ATOM 1093 N N . LEU A 1 143 ? -17.211 -30.873 20.293 1.00 9.80 ? 223 LEU A N 1 ATOM 1094 C CA . LEU A 1 143 ? -17.326 -30.197 21.574 1.00 9.00 ? 223 LEU A CA 1 ATOM 1095 C C . LEU A 1 143 ? -17.407 -28.691 21.315 1.00 9.47 ? 223 LEU A C 1 ATOM 1096 O O . LEU A 1 143 ? -16.617 -28.140 20.548 1.00 9.40 ? 223 LEU A O 1 ATOM 1097 C CB . LEU A 1 143 ? -16.112 -30.524 22.441 1.00 10.54 ? 223 LEU A CB 1 ATOM 1098 C CG . LEU A 1 143 ? -16.020 -29.819 23.796 1.00 9.56 ? 223 LEU A CG 1 ATOM 1099 C CD1 . LEU A 1 143 ? -17.156 -30.269 24.705 1.00 10.55 ? 223 LEU A CD1 1 ATOM 1100 C CD2 . LEU A 1 143 ? -14.668 -30.096 24.441 1.00 12.17 ? 223 LEU A CD2 1 ATOM 1101 N N . ARG A 1 144 ? -18.371 -28.025 21.942 1.00 9.52 ? 224 ARG A N 1 ATOM 1102 C CA . ARG A 1 144 ? -18.603 -26.615 21.654 1.00 9.06 ? 224 ARG A CA 1 ATOM 1103 C C . ARG A 1 144 ? -19.254 -25.902 22.831 1.00 9.09 ? 224 ARG A C 1 ATOM 1104 O O . ARG A 1 144 ? -19.792 -26.543 23.733 1.00 10.00 ? 224 ARG A O 1 ATOM 1105 C CB . ARG A 1 144 ? -19.435 -26.457 20.376 1.00 8.97 ? 224 ARG A CB 1 ATOM 1106 C CG . ARG A 1 144 ? -20.746 -27.227 20.369 1.00 10.00 ? 224 ARG A CG 1 ATOM 1107 C CD . ARG A 1 144 ? -21.268 -27.368 18.943 1.00 11.32 ? 224 ARG A CD 1 ATOM 1108 N NE . ARG A 1 144 ? -22.582 -28.006 18.846 1.00 11.46 ? 224 ARG A NE 1 ATOM 1109 C CZ . ARG A 1 144 ? -22.782 -29.317 18.737 1.00 11.41 ? 224 ARG A CZ 1 ATOM 1110 N NH1 . ARG A 1 144 ? -21.754 -30.156 18.742 1.00 12.23 ? 224 ARG A NH1 1 ATOM 1111 N NH2 . ARG A 1 144 ? -24.019 -29.792 18.634 1.00 12.21 ? 224 ARG A NH2 1 ATOM 1112 N N . THR A 1 145 ? -19.193 -24.576 22.834 1.00 9.10 ? 225 THR A N 1 ATOM 1113 C CA . THR A 1 145 ? -19.676 -23.829 23.987 1.00 8.97 ? 225 THR A CA 1 ATOM 1114 C C . THR A 1 145 ? -20.390 -22.527 23.601 1.00 9.21 ? 225 THR A C 1 ATOM 1115 O O . THR A 1 145 ? -20.913 -22.406 22.492 1.00 10.93 ? 225 THR A O 1 ATOM 1116 C CB . THR A 1 145 ? -18.550 -23.647 25.057 1.00 9.81 ? 225 THR A CB 1 ATOM 1117 O OG1 . THR A 1 145 ? -19.099 -23.139 26.280 1.00 10.43 ? 225 THR A OG1 1 ATOM 1118 C CG2 . THR A 1 145 ? -17.426 -22.742 24.559 1.00 9.75 ? 225 THR A CG2 1 ATOM 1119 N N . GLN A 1 146 ? -20.424 -21.566 24.517 1.00 9.45 ? 226 GLN A N 1 ATOM 1120 C CA . GLN A 1 146 ? -21.411 -20.484 24.455 1.00 9.23 ? 226 GLN A CA 1 ATOM 1121 C C . GLN A 1 146 ? -21.233 -19.438 23.361 1.00 8.44 ? 226 GLN A C 1 ATOM 1122 O O . GLN A 1 146 ? -22.218 -18.946 22.815 1.00 9.22 ? 226 GLN A O 1 ATOM 1123 C CB . GLN A 1 146 ? -21.500 -19.776 25.811 1.00 9.17 ? 226 GLN A CB 1 ATOM 1124 C CG . GLN A 1 146 ? -22.026 -20.672 26.914 1.00 9.69 ? 226 GLN A CG 1 ATOM 1125 C CD . GLN A 1 146 ? -22.049 -20.007 28.277 1.00 10.73 ? 226 GLN A CD 1 ATOM 1126 O OE1 . GLN A 1 146 ? -22.019 -20.685 29.299 1.00 11.32 ? 226 GLN A OE1 1 ATOM 1127 N NE2 . GLN A 1 146 ? -22.108 -18.680 28.299 1.00 12.87 ? 226 GLN A NE2 1 ATOM 1128 N N . GLU A 1 147 ? -19.985 -19.098 23.053 1.00 9.35 ? 227 GLU A N 1 ATOM 1129 C CA . GLU A 1 147 ? -19.678 -17.948 22.201 1.00 9.01 ? 227 GLU A CA 1 ATOM 1130 C C . GLU A 1 147 ? -20.191 -16.655 22.850 1.00 8.56 ? 227 GLU A C 1 ATOM 1131 O O . GLU A 1 147 ? -20.538 -15.689 22.166 1.00 9.62 ? 227 GLU A O 1 ATOM 1132 C CB . GLU A 1 147 ? -20.258 -18.098 20.785 1.00 9.29 ? 227 GLU A CB 1 ATOM 1133 C CG . GLU A 1 147 ? -20.304 -19.521 20.221 1.00 10.55 ? 227 GLU A CG 1 ATOM 1134 C CD . GLU A 1 147 ? -18.963 -20.237 20.189 1.00 12.18 ? 227 GLU A CD 1 ATOM 1135 O OE1 . GLU A 1 147 ? -17.933 -19.656 20.590 1.00 12.23 ? 227 GLU A OE1 1 ATOM 1136 O OE2 . GLU A 1 147 ? -18.947 -21.407 19.755 1.00 13.19 ? 227 GLU A OE2 1 ATOM 1137 N N . SER A 1 148 ? -20.243 -16.649 24.177 1.00 8.91 ? 228 SER A N 1 ATOM 1138 C CA . SER A 1 148 ? -20.518 -15.435 24.933 1.00 8.78 ? 228 SER A CA 1 ATOM 1139 C C . SER A 1 148 ? -19.969 -15.580 26.346 1.00 9.38 ? 228 SER A C 1 ATOM 1140 O O . SER A 1 148 ? -19.381 -16.610 26.694 1.00 10.28 ? 228 SER A O 1 ATOM 1141 C CB . SER A 1 148 ? -22.015 -15.092 24.949 1.00 10.84 ? 228 SER A CB 1 ATOM 1142 O OG . SER A 1 148 ? -22.780 -16.094 25.591 1.00 11.72 ? 228 SER A OG 1 ATOM 1143 N N A SER A 1 149 ? -20.155 -14.547 27.160 0.46 8.14 ? 229 SER A N 1 ATOM 1144 N N B SER A 1 149 ? -20.170 -14.548 27.157 0.54 8.65 ? 229 SER A N 1 ATOM 1145 C CA A SER A 1 149 ? -19.573 -14.520 28.496 0.46 7.38 ? 229 SER A CA 1 ATOM 1146 C CA B SER A 1 149 ? -19.636 -14.507 28.514 0.54 8.58 ? 229 SER A CA 1 ATOM 1147 C C A SER A 1 149 ? -20.108 -15.621 29.406 0.46 9.27 ? 229 SER A C 1 ATOM 1148 C C B SER A 1 149 ? -20.119 -15.664 29.384 0.54 10.02 ? 229 SER A C 1 ATOM 1149 O O A SER A 1 149 ? -21.306 -15.911 29.422 0.46 10.63 ? 229 SER A O 1 ATOM 1150 O O B SER A 1 149 ? -21.293 -16.036 29.350 0.54 11.55 ? 229 SER A O 1 ATOM 1151 C CB A SER A 1 149 ? -19.799 -13.155 29.147 0.46 8.35 ? 229 SER A CB 1 ATOM 1152 C CB B SER A 1 149 ? -20.008 -13.178 29.176 0.54 10.47 ? 229 SER A CB 1 ATOM 1153 O OG A SER A 1 149 ? -21.180 -12.855 29.225 0.46 7.66 ? 229 SER A OG 1 ATOM 1154 O OG B SER A 1 149 ? -19.488 -13.090 30.490 0.54 10.94 ? 229 SER A OG 1 ATOM 1155 N N . CYS A 1 150 ? -19.206 -16.231 30.165 1.00 8.92 ? 230 CYS A N 1 ATOM 1156 C CA . CYS A 1 150 ? -19.598 -17.178 31.193 1.00 9.00 ? 230 CYS A CA 1 ATOM 1157 C C . CYS A 1 150 ? -20.011 -16.371 32.422 1.00 10.05 ? 230 CYS A C 1 ATOM 1158 O O . CYS A 1 150 ? -20.099 -15.140 32.364 1.00 11.00 ? 230 CYS A O 1 ATOM 1159 C CB . CYS A 1 150 ? -18.496 -18.210 31.496 1.00 10.11 ? 230 CYS A CB 1 ATOM 1160 S SG . CYS A 1 150 ? -16.771 -17.644 31.418 1.00 12.34 ? 230 CYS A SG 1 ATOM 1161 N N . VAL A 1 151 ? -20.294 -17.051 33.524 1.00 9.35 ? 231 VAL A N 1 ATOM 1162 C CA . VAL A 1 151 ? -20.801 -16.369 34.708 1.00 9.65 ? 231 VAL A CA 1 ATOM 1163 C C . VAL A 1 151 ? -19.987 -16.748 35.933 1.00 10.59 ? 231 VAL A C 1 ATOM 1164 O O . VAL A 1 151 ? -19.784 -17.931 36.207 1.00 12.48 ? 231 VAL A O 1 ATOM 1165 C CB . VAL A 1 151 ? -22.288 -16.710 34.958 1.00 10.17 ? 231 VAL A CB 1 ATOM 1166 C CG1 . VAL A 1 151 ? -22.755 -16.124 36.288 1.00 12.61 ? 231 VAL A CG1 1 ATOM 1167 C CG2 . VAL A 1 151 ? -23.152 -16.197 33.809 1.00 11.70 ? 231 VAL A CG2 1 ATOM 1168 N N . CYS A 1 152 ? -19.522 -15.744 36.672 1.00 11.08 ? 232 CYS A N 1 ATOM 1169 C CA . CYS A 1 152 ? -18.799 -15.986 37.917 1.00 11.60 ? 232 CYS A CA 1 ATOM 1170 C C . CYS A 1 152 ? -19.579 -15.441 39.107 1.00 11.53 ? 232 CYS A C 1 ATOM 1171 O O . CYS A 1 152 ? -20.083 -14.318 39.067 1.00 14.01 ? 232 CYS A O 1 ATOM 1172 C CB . CYS A 1 152 ? -17.408 -15.346 37.881 1.00 13.36 ? 232 CYS A CB 1 ATOM 1173 S SG . CYS A 1 152 ? -16.350 -15.904 36.525 1.00 14.08 ? 232 CYS A SG 1 ATOM 1174 N N . MET A 1 153 ? -19.683 -16.246 40.159 1.00 11.23 ? 233 MET A N 1 ATOM 1175 C CA . MET A 1 153 ? -20.305 -15.822 41.409 1.00 12.60 ? 233 MET A CA 1 ATOM 1176 C C . MET A 1 153 ? -19.512 -16.398 42.574 1.00 12.99 ? 233 MET A C 1 ATOM 1177 O O . MET A 1 153 ? -19.214 -17.590 42.594 1.00 14.23 ? 233 MET A O 1 ATOM 1178 C CB . MET A 1 153 ? -21.755 -16.306 41.489 1.00 13.42 ? 233 MET A CB 1 ATOM 1179 C CG . MET A 1 153 ? -22.668 -15.740 40.409 1.00 15.74 ? 233 MET A CG 1 ATOM 1180 S SD . MET A 1 153 ? -24.340 -16.411 40.496 1.00 17.67 ? 233 MET A SD 1 ATOM 1181 C CE . MET A 1 153 ? -24.014 -18.160 40.288 1.00 17.18 ? 233 MET A CE 1 ATOM 1182 N N . ASN A 1 154 ? -19.167 -15.548 43.538 1.00 13.71 ? 234 ASN A N 1 ATOM 1183 C CA . ASN A 1 154 ? -18.461 -15.989 44.741 1.00 14.60 ? 234 ASN A CA 1 ATOM 1184 C C . ASN A 1 154 ? -17.183 -16.775 44.453 1.00 14.91 ? 234 ASN A C 1 ATOM 1185 O O . ASN A 1 154 ? -16.808 -17.662 45.222 1.00 17.44 ? 234 ASN A O 1 ATOM 1186 C CB . ASN A 1 154 ? -19.384 -16.828 45.633 1.00 17.13 ? 234 ASN A CB 1 ATOM 1187 C CG . ASN A 1 154 ? -20.499 -16.013 46.256 1.00 20.00 ? 234 ASN A CG 1 ATOM 1188 O OD1 . ASN A 1 154 ? -20.319 -14.842 46.592 1.00 19.82 ? 234 ASN A OD1 1 ATOM 1189 N ND2 . ASN A 1 154 ? -21.659 -16.639 46.428 1.00 21.65 ? 234 ASN A ND2 1 ATOM 1190 N N . GLY A 1 155 ? -16.520 -16.455 43.345 1.00 14.10 ? 235 GLY A N 1 ATOM 1191 C CA . GLY A 1 155 ? -15.241 -17.066 43.030 1.00 13.69 ? 235 GLY A CA 1 ATOM 1192 C C . GLY A 1 155 ? -15.336 -18.341 42.215 1.00 13.22 ? 235 GLY A C 1 ATOM 1193 O O . GLY A 1 155 ? -14.319 -18.957 41.893 1.00 14.85 ? 235 GLY A O 1 ATOM 1194 N N . ASN A 1 156 ? -16.557 -18.743 41.888 1.00 13.00 ? 236 ASN A N 1 ATOM 1195 C CA . ASN A 1 156 ? -16.780 -19.893 41.022 1.00 13.11 ? 236 ASN A CA 1 ATOM 1196 C C . ASN A 1 156 ? -17.296 -19.405 39.681 1.00 12.42 ? 236 ASN A C 1 ATOM 1197 O O . ASN A 1 156 ? -18.129 -18.499 39.628 1.00 13.80 ? 236 ASN A O 1 ATOM 1198 C CB . ASN A 1 156 ? -17.804 -20.848 41.642 1.00 13.75 ? 236 ASN A CB 1 ATOM 1199 C CG . ASN A 1 156 ? -17.379 -21.359 43.004 1.00 14.88 ? 236 ASN A CG 1 ATOM 1200 O OD1 . ASN A 1 156 ? -18.135 -21.272 43.976 1.00 18.28 ? 236 ASN A OD1 1 ATOM 1201 N ND2 . ASN A 1 156 ? -16.167 -21.894 43.084 1.00 15.76 ? 236 ASN A ND2 1 ATOM 1202 N N . CYS A 1 157 ? -16.802 -19.992 38.598 1.00 11.94 ? 237 CYS A N 1 ATOM 1203 C CA . CYS A 1 157 ? -17.253 -19.609 37.264 1.00 11.26 ? 237 CYS A CA 1 ATOM 1204 C C . CYS A 1 157 ? -17.913 -20.789 36.561 1.00 10.83 ? 237 CYS A C 1 ATOM 1205 O O . CYS A 1 157 ? -17.466 -21.932 36.693 1.00 12.49 ? 237 CYS A O 1 ATOM 1206 C CB . CYS A 1 157 ? -16.092 -19.059 36.436 1.00 13.20 ? 237 CYS A CB 1 ATOM 1207 S SG . CYS A 1 157 ? -15.335 -17.569 37.138 1.00 14.74 ? 237 CYS A SG 1 ATOM 1208 N N . TYR A 1 158 ? -18.975 -20.503 35.812 1.00 9.51 ? 238 TYR A N 1 ATOM 1209 C CA . TYR A 1 158 ? -19.830 -21.543 35.249 1.00 8.86 ? 238 TYR A CA 1 ATOM 1210 C C . TYR A 1 158 ? -20.041 -21.334 33.762 1.00 9.59 ? 238 TYR A C 1 ATOM 1211 O O . TYR A 1 158 ? -20.156 -20.201 33.305 1.00 10.70 ? 238 TYR A O 1 ATOM 1212 C CB . TYR A 1 158 ? -21.206 -21.511 35.916 1.00 9.59 ? 238 TYR A CB 1 ATOM 1213 C CG . TYR A 1 158 ? -21.200 -21.609 37.427 1.00 9.79 ? 238 TYR A CG 1 ATOM 1214 C CD1 . TYR A 1 158 ? -21.418 -22.823 38.064 1.00 12.12 ? 238 TYR A CD1 1 ATOM 1215 C CD2 . TYR A 1 158 ? -20.998 -20.482 38.214 1.00 9.43 ? 238 TYR A CD2 1 ATOM 1216 C CE1 . TYR A 1 158 ? -21.427 -22.915 39.444 1.00 12.66 ? 238 TYR A CE1 1 ATOM 1217 C CE2 . TYR A 1 158 ? -21.004 -20.562 39.594 1.00 10.38 ? 238 TYR A CE2 1 ATOM 1218 C CZ . TYR A 1 158 ? -21.217 -21.783 40.204 1.00 12.19 ? 238 TYR A CZ 1 ATOM 1219 O OH . TYR A 1 158 ? -21.220 -21.872 41.577 1.00 13.52 ? 238 TYR A OH 1 ATOM 1220 N N . TRP A 1 159 ? -20.136 -22.429 33.013 1.00 9.69 ? 239 TRP A N 1 ATOM 1221 C CA . TRP A 1 159 ? -20.462 -22.338 31.590 1.00 9.44 ? 239 TRP A CA 1 ATOM 1222 C C . TRP A 1 159 ? -21.124 -23.613 31.081 1.00 9.23 ? 239 TRP A C 1 ATOM 1223 O O . TRP A 1 159 ? -21.087 -24.655 31.744 1.00 9.98 ? 239 TRP A O 1 ATOM 1224 C CB . TRP A 1 159 ? -19.222 -21.988 30.751 1.00 10.16 ? 239 TRP A CB 1 ATOM 1225 C CG . TRP A 1 159 ? -18.193 -23.082 30.671 1.00 10.17 ? 239 TRP A CG 1 ATOM 1226 C CD1 . TRP A 1 159 ? -18.114 -24.061 29.727 1.00 11.06 ? 239 TRP A CD1 1 ATOM 1227 C CD2 . TRP A 1 159 ? -17.101 -23.306 31.574 1.00 10.41 ? 239 TRP A CD2 1 ATOM 1228 N NE1 . TRP A 1 159 ? -17.040 -24.882 29.982 1.00 11.46 ? 239 TRP A NE1 1 ATOM 1229 C CE2 . TRP A 1 159 ? -16.401 -24.438 31.109 1.00 11.46 ? 239 TRP A CE2 1 ATOM 1230 C CE3 . TRP A 1 159 ? -16.643 -22.654 32.724 1.00 12.03 ? 239 TRP A CE3 1 ATOM 1231 C CZ2 . TRP A 1 159 ? -15.271 -24.938 31.759 1.00 12.35 ? 239 TRP A CZ2 1 ATOM 1232 C CZ3 . TRP A 1 159 ? -15.518 -23.151 33.367 1.00 13.36 ? 239 TRP A CZ3 1 ATOM 1233 C CH2 . TRP A 1 159 ? -14.845 -24.282 32.880 1.00 12.47 ? 239 TRP A CH2 1 ATOM 1234 N N . VAL A 1 160 ? -21.734 -23.516 29.905 1.00 9.34 ? 240 VAL A N 1 ATOM 1235 C CA . VAL A 1 160 ? -22.477 -24.622 29.318 1.00 9.27 ? 240 VAL A CA 1 ATOM 1236 C C . VAL A 1 160 ? -21.798 -25.106 28.043 1.00 9.25 ? 240 VAL A C 1 ATOM 1237 O O . VAL A 1 160 ? -21.389 -24.297 27.206 1.00 10.79 ? 240 VAL A O 1 ATOM 1238 C CB . VAL A 1 160 ? -23.913 -24.192 28.976 1.00 9.91 ? 240 VAL A CB 1 ATOM 1239 C CG1 . VAL A 1 160 ? -24.719 -25.375 28.450 1.00 9.55 ? 240 VAL A CG1 1 ATOM 1240 C CG2 . VAL A 1 160 ? -24.585 -23.563 30.193 1.00 11.75 ? 240 VAL A CG2 1 ATOM 1241 N N . MET A 1 161 ? -21.683 -26.423 27.894 1.00 9.13 ? 241 MET A N 1 ATOM 1242 C CA . MET A 1 161 ? -21.107 -27.013 26.686 1.00 9.81 ? 241 MET A CA 1 ATOM 1243 C C . MET A 1 161 ? -22.026 -28.049 26.055 1.00 9.32 ? 241 MET A C 1 ATOM 1244 O O . MET A 1 161 ? -22.869 -28.651 26.725 1.00 10.12 ? 241 MET A O 1 ATOM 1245 C CB . MET A 1 161 ? -19.761 -27.670 26.984 1.00 11.06 ? 241 MET A CB 1 ATOM 1246 C CG . MET A 1 161 ? -18.791 -26.795 27.746 1.00 11.70 ? 241 MET A CG 1 ATOM 1247 S SD . MET A 1 161 ? -17.185 -27.598 27.927 1.00 14.90 ? 241 MET A SD 1 ATOM 1248 C CE . MET A 1 161 ? -16.400 -27.063 26.424 1.00 11.67 ? 241 MET A CE 1 ATOM 1249 N N . THR A 1 162 ? -21.833 -28.266 24.758 1.00 8.98 ? 242 THR A N 1 ATOM 1250 C CA . THR A 1 162 ? -22.601 -29.243 24.004 1.00 8.92 ? 242 THR A CA 1 ATOM 1251 C C . THR A 1 162 ? -21.643 -30.147 23.240 1.00 8.65 ? 242 THR A C 1 ATOM 1252 O O . THR A 1 162 ? -20.574 -29.713 22.816 1.00 9.47 ? 242 THR A O 1 ATOM 1253 C CB . THR A 1 162 ? -23.553 -28.535 23.024 1.00 8.75 ? 242 THR A CB 1 ATOM 1254 O OG1 . THR A 1 162 ? -24.458 -27.712 23.772 1.00 11.89 ? 242 THR A OG1 1 ATOM 1255 C CG2 . THR A 1 162 ? -24.348 -29.540 22.191 1.00 10.04 ? 242 THR A CG2 1 ATOM 1256 N N . ASP A 1 163 ? -22.025 -31.408 23.082 1.00 8.64 ? 243 ASP A N 1 ATOM 1257 C CA . ASP A 1 163 ? -21.237 -32.363 22.322 1.00 9.71 ? 243 ASP A CA 1 ATOM 1258 C C . ASP A 1 163 ? -22.243 -33.307 21.674 1.00 10.31 ? 243 ASP A C 1 ATOM 1259 O O . ASP A 1 163 ? -23.116 -33.845 22.354 1.00 11.28 ? 243 ASP A O 1 ATOM 1260 C CB . ASP A 1 163 ? -20.282 -33.116 23.256 1.00 11.57 ? 243 ASP A CB 1 ATOM 1261 C CG . ASP A 1 163 ? -19.115 -33.760 22.524 1.00 11.99 ? 243 ASP A CG 1 ATOM 1262 O OD1 . ASP A 1 163 ? -19.209 -33.971 21.298 1.00 12.79 ? 243 ASP A OD1 1 ATOM 1263 O OD2 . ASP A 1 163 ? -18.099 -34.069 23.189 1.00 11.70 ? 243 ASP A OD2 1 ATOM 1264 N N . GLY A 1 164 ? -22.149 -33.480 20.359 1.00 10.47 ? 244 GLY A N 1 ATOM 1265 C CA . GLY A 1 164 ? -23.100 -34.312 19.640 1.00 9.64 ? 244 GLY A CA 1 ATOM 1266 C C . GLY A 1 164 ? -23.624 -33.656 18.374 1.00 9.90 ? 244 GLY A C 1 ATOM 1267 O O . GLY A 1 164 ? -23.118 -32.616 17.957 1.00 11.66 ? 244 GLY A O 1 ATOM 1268 N N . PRO A 1 165 ? -24.642 -34.268 17.752 1.00 12.11 ? 245 PRO A N 1 ATOM 1269 C CA . PRO A 1 165 ? -25.202 -33.804 16.476 1.00 12.95 ? 245 PRO A CA 1 ATOM 1270 C C . PRO A 1 165 ? -25.718 -32.368 16.500 1.00 11.99 ? 245 PRO A C 1 ATOM 1271 O O . PRO A 1 165 ? -26.143 -31.857 17.542 1.00 12.74 ? 245 PRO A O 1 ATOM 1272 C CB . PRO A 1 165 ? -26.364 -34.775 16.233 1.00 14.42 ? 245 PRO A CB 1 ATOM 1273 C CG . PRO A 1 165 ? -25.968 -36.013 16.956 1.00 13.65 ? 245 PRO A CG 1 ATOM 1274 C CD . PRO A 1 165 ? -25.240 -35.541 18.186 1.00 11.93 ? 245 PRO A CD 1 ATOM 1275 N N . ALA A 1 166 ? -25.680 -31.735 15.333 1.00 12.57 ? 246 ALA A N 1 ATOM 1276 C CA . ALA A 1 166 ? -26.149 -30.369 15.164 1.00 12.38 ? 246 ALA A CA 1 ATOM 1277 C C . ALA A 1 166 ? -27.663 -30.296 15.008 1.00 12.44 ? 246 ALA A C 1 ATOM 1278 O O . ALA A 1 166 ? -28.281 -29.305 15.402 1.00 12.94 ? 246 ALA A O 1 ATOM 1279 C CB . ALA A 1 166 ? -25.468 -29.728 13.955 1.00 14.37 ? 246 ALA A CB 1 ATOM 1280 N N . ASN A 1 167 ? -28.254 -31.339 14.429 1.00 12.05 ? 247 ASN A N 1 ATOM 1281 C CA . ASN A 1 167 ? -29.672 -31.320 14.064 1.00 12.86 ? 247 ASN A CA 1 ATOM 1282 C C . ASN A 1 167 ? -30.472 -32.496 14.624 1.00 13.87 ? 247 ASN A C 1 ATOM 1283 O O . ASN A 1 167 ? -31.482 -32.904 14.043 1.00 15.42 ? 247 ASN A O 1 ATOM 1284 C CB . ASN A 1 167 ? -29.842 -31.300 12.540 1.00 12.69 ? 247 ASN A CB 1 ATOM 1285 C CG . ASN A 1 167 ? -29.265 -30.054 11.888 1.00 13.72 ? 247 ASN A CG 1 ATOM 1286 O OD1 . ASN A 1 167 ? -28.768 -30.116 10.765 1.00 16.38 ? 247 ASN A OD1 1 ATOM 1287 N ND2 . ASN A 1 167 ? -29.341 -28.921 12.575 1.00 13.23 ? 247 ASN A ND2 1 ATOM 1288 N N . SER A 1 168 ? -30.011 -33.052 15.737 1.00 12.97 ? 248 SER A N 1 ATOM 1289 C CA . SER A 1 168 ? -30.759 -34.090 16.441 1.00 13.88 ? 248 SER A CA 1 ATOM 1290 C C . SER A 1 168 ? -30.274 -34.151 17.884 1.00 13.47 ? 248 SER A C 1 ATOM 1291 O O . SER A 1 168 ? -29.467 -33.324 18.298 1.00 12.67 ? 248 SER A O 1 ATOM 1292 C CB . SER A 1 168 ? -30.629 -35.451 15.746 1.00 15.49 ? 248 SER A CB 1 ATOM 1293 O OG . SER A 1 168 ? -29.292 -35.918 15.747 1.00 16.44 ? 248 SER A OG 1 ATOM 1294 N N . GLN A 1 169 ? -30.768 -35.116 18.652 1.00 12.70 ? 249 GLN A N 1 ATOM 1295 C CA . GLN A 1 169 ? -30.436 -35.181 20.070 1.00 13.15 ? 249 GLN A CA 1 ATOM 1296 C C . GLN A 1 169 ? -28.932 -35.139 20.298 1.00 13.01 ? 249 GLN A C 1 ATOM 1297 O O . GLN A 1 169 ? -28.183 -35.938 19.732 1.00 13.47 ? 249 GLN A O 1 ATOM 1298 C CB . GLN A 1 169 ? -31.007 -36.447 20.708 1.00 12.06 ? 249 GLN A CB 1 ATOM 1299 C CG . GLN A 1 169 ? -30.823 -36.489 22.216 1.00 12.14 ? 249 GLN A CG 1 ATOM 1300 C CD . GLN A 1 169 ? -31.770 -35.551 22.935 1.00 12.90 ? 249 GLN A CD 1 ATOM 1301 O OE1 . GLN A 1 169 ? -32.991 -35.697 22.841 1.00 14.59 ? 249 GLN A OE1 1 ATOM 1302 N NE2 . GLN A 1 169 ? -31.214 -34.582 23.660 1.00 14.03 ? 249 GLN A NE2 1 ATOM 1303 N N . ALA A 1 170 ? -28.494 -34.201 21.130 1.00 11.68 ? 250 ALA A N 1 ATOM 1304 C CA . ALA A 1 170 ? -27.095 -34.130 21.522 1.00 11.00 ? 250 ALA A CA 1 ATOM 1305 C C . ALA A 1 170 ? -27.000 -34.211 23.040 1.00 12.02 ? 250 ALA A C 1 ATOM 1306 O O . ALA A 1 170 ? -27.988 -34.512 23.714 1.00 11.66 ? 250 ALA A O 1 ATOM 1307 C CB . ALA A 1 170 ? -26.445 -32.854 20.997 1.00 11.92 ? 250 ALA A CB 1 ATOM 1308 N N . SER A 1 171 ? -25.808 -33.950 23.565 1.00 12.36 ? 251 SER A N 1 ATOM 1309 C CA . SER A 1 171 ? -25.542 -34.021 24.996 1.00 12.23 ? 251 SER A CA 1 ATOM 1310 C C . SER A 1 171 ? -25.121 -32.646 25.509 1.00 10.76 ? 251 SER A C 1 ATOM 1311 O O . SER A 1 171 ? -24.344 -31.948 24.860 1.00 11.32 ? 251 SER A O 1 ATOM 1312 C CB . SER A 1 171 ? -24.451 -35.058 25.273 1.00 13.67 ? 251 SER A CB 1 ATOM 1313 O OG . SER A 1 171 ? -24.194 -35.187 26.660 1.00 15.22 ? 251 SER A OG 1 ATOM 1314 N N . TYR A 1 172 ? -25.639 -32.259 26.671 1.00 10.15 ? 252 TYR A N 1 ATOM 1315 C CA . TYR A 1 172 ? -25.432 -30.911 27.198 1.00 11.46 ? 252 TYR A CA 1 ATOM 1316 C C . TYR A 1 172 ? -24.916 -30.994 28.629 1.00 11.09 ? 252 TYR A C 1 ATOM 1317 O O . TYR A 1 172 ? -25.466 -31.736 29.440 1.00 12.04 ? 252 TYR A O 1 ATOM 1318 C CB . TYR A 1 172 ? -26.746 -30.121 27.129 1.00 11.67 ? 252 TYR A CB 1 ATOM 1319 C CG . TYR A 1 172 ? -27.583 -30.538 25.943 1.00 11.63 ? 252 TYR A CG 1 ATOM 1320 C CD1 . TYR A 1 172 ? -27.190 -30.217 24.649 1.00 11.89 ? 252 TYR A CD1 1 ATOM 1321 C CD2 . TYR A 1 172 ? -28.738 -31.293 26.110 1.00 11.53 ? 252 TYR A CD2 1 ATOM 1322 C CE1 . TYR A 1 172 ? -27.931 -30.621 23.554 1.00 11.62 ? 252 TYR A CE1 1 ATOM 1323 C CE2 . TYR A 1 172 ? -29.489 -31.701 25.019 1.00 10.94 ? 252 TYR A CE2 1 ATOM 1324 C CZ . TYR A 1 172 ? -29.078 -31.362 23.743 1.00 10.90 ? 252 TYR A CZ 1 ATOM 1325 O OH . TYR A 1 172 ? -29.808 -31.764 22.652 1.00 12.03 ? 252 TYR A OH 1 ATOM 1326 N N . LYS A 1 173 ? -23.852 -30.252 28.931 1.00 10.95 ? 253 LYS A N 1 ATOM 1327 C CA . LYS A 1 173 ? -23.264 -30.267 30.268 1.00 11.27 ? 253 LYS A CA 1 ATOM 1328 C C . LYS A 1 173 ? -23.035 -28.870 30.825 1.00 10.64 ? 253 LYS A C 1 ATOM 1329 O O . LYS A 1 173 ? -22.734 -27.927 30.085 1.00 11.44 ? 253 LYS A O 1 ATOM 1330 C CB . LYS A 1 173 ? -21.931 -31.021 30.276 1.00 12.66 ? 253 LYS A CB 1 ATOM 1331 C CG . LYS A 1 173 ? -22.052 -32.528 30.236 1.00 14.16 ? 253 LYS A CG 1 ATOM 1332 C CD . LYS A 1 173 ? -20.680 -33.175 30.351 1.00 15.29 ? 253 LYS A CD 1 ATOM 1333 C CE . LYS A 1 173 ? -20.782 -34.687 30.314 1.00 19.14 ? 253 LYS A CE 1 ATOM 1334 N NZ . LYS A 1 173 ? -19.455 -35.320 30.533 1.00 20.69 ? 253 LYS A NZ 1 ATOM 1335 N N . ILE A 1 174 ? -23.170 -28.755 32.142 1.00 10.69 ? 254 ILE A N 1 ATOM 1336 C CA . ILE A 1 174 ? -22.842 -27.535 32.862 1.00 11.39 ? 254 ILE A CA 1 ATOM 1337 C C . ILE A 1 174 ? -21.548 -27.764 33.629 1.00 10.55 ? 254 ILE A C 1 ATOM 1338 O O . ILE A 1 174 ? -21.336 -28.846 34.191 1.00 11.77 ? 254 ILE A O 1 ATOM 1339 C CB . ILE A 1 174 ? -23.941 -27.169 33.873 1.00 14.67 ? 254 ILE A CB 1 ATOM 1340 C CG1 . ILE A 1 174 ? -25.303 -27.069 33.187 1.00 18.75 ? 254 ILE A CG1 1 ATOM 1341 C CG2 . ILE A 1 174 ? -23.603 -25.866 34.578 1.00 18.27 ? 254 ILE A CG2 1 ATOM 1342 C CD1 . ILE A 1 174 ? -26.458 -27.008 34.172 1.00 21.23 ? 254 ILE A CD1 1 ATOM 1343 N N . PHE A 1 175 ? -20.692 -26.747 33.657 1.00 9.99 ? 255 PHE A N 1 ATOM 1344 C CA . PHE A 1 175 ? -19.404 -26.837 34.336 1.00 10.83 ? 255 PHE A CA 1 ATOM 1345 C C . PHE A 1 175 ? -19.253 -25.766 35.399 1.00 10.84 ? 255 PHE A C 1 ATOM 1346 O O . PHE A 1 175 ? -19.721 -24.640 35.232 1.00 12.79 ? 255 PHE A O 1 ATOM 1347 C CB . PHE A 1 175 ? -18.257 -26.728 33.324 1.00 12.08 ? 255 PHE A CB 1 ATOM 1348 C CG . PHE A 1 175 ? -18.172 -27.896 32.394 1.00 12.11 ? 255 PHE A CG 1 ATOM 1349 C CD1 . PHE A 1 175 ? -17.302 -28.943 32.654 1.00 13.77 ? 255 PHE A CD1 1 ATOM 1350 C CD2 . PHE A 1 175 ? -18.989 -27.969 31.277 1.00 11.17 ? 255 PHE A CD2 1 ATOM 1351 C CE1 . PHE A 1 175 ? -17.237 -30.032 31.807 1.00 14.46 ? 255 PHE A CE1 1 ATOM 1352 C CE2 . PHE A 1 175 ? -18.926 -29.055 30.432 1.00 13.11 ? 255 PHE A CE2 1 ATOM 1353 C CZ . PHE A 1 175 ? -18.049 -30.087 30.697 1.00 13.95 ? 255 PHE A CZ 1 ATOM 1354 N N . LYS A 1 176 ? -18.596 -26.143 36.492 1.00 11.01 ? 256 LYS A N 1 ATOM 1355 C CA . LYS A 1 176 ? -18.239 -25.237 37.574 1.00 12.19 ? 256 LYS A CA 1 ATOM 1356 C C . LYS A 1 176 ? -16.725 -25.252 37.718 1.00 12.39 ? 256 LYS A C 1 ATOM 1357 O O . LYS A 1 176 ? -16.100 -26.310 37.647 1.00 12.94 ? 256 LYS A O 1 ATOM 1358 C CB . LYS A 1 176 ? -18.881 -25.707 38.879 1.00 12.09 ? 256 LYS A CB 1 ATOM 1359 C CG . LYS A 1 176 ? -18.615 -24.817 40.087 1.00 12.17 ? 256 LYS A CG 1 ATOM 1360 C CD . LYS A 1 176 ? -19.293 -25.399 41.321 1.00 12.46 ? 256 LYS A CD 1 ATOM 1361 C CE . LYS A 1 176 ? -19.258 -24.446 42.506 1.00 13.54 ? 256 LYS A CE 1 ATOM 1362 N NZ . LYS A 1 176 ? -19.954 -25.033 43.688 1.00 15.00 ? 256 LYS A NZ 1 ATOM 1363 N N . SER A 1 177 ? -16.137 -24.079 37.918 1.00 11.87 ? 257 SER A N 1 ATOM 1364 C CA . SER A 1 177 ? -14.690 -23.966 38.057 1.00 11.52 ? 257 SER A CA 1 ATOM 1365 C C . SER A 1 177 ? -14.310 -22.994 39.165 1.00 11.38 ? 257 SER A C 1 ATOM 1366 O O . SER A 1 177 ? -15.080 -22.096 39.516 1.00 13.26 ? 257 SER A O 1 ATOM 1367 C CB . SER A 1 177 ? -14.060 -23.506 36.742 1.00 12.39 ? 257 SER A CB 1 ATOM 1368 O OG . SER A 1 177 ? -14.453 -22.180 36.436 1.00 12.95 ? 257 SER A OG 1 ATOM 1369 N N . HIS A 1 178 ? -13.115 -23.184 39.714 1.00 12.01 ? 258 HIS A N 1 ATOM 1370 C CA . HIS A 1 178 ? -12.545 -22.239 40.663 1.00 11.61 ? 258 HIS A CA 1 ATOM 1371 C C . HIS A 1 178 ? -11.082 -22.023 40.304 1.00 12.85 ? 258 HIS A C 1 ATOM 1372 O O . HIS A 1 178 ? -10.306 -22.978 40.238 1.00 12.68 ? 258 HIS A O 1 ATOM 1373 C CB . HIS A 1 178 ? -12.683 -22.763 42.096 1.00 13.79 ? 258 HIS A CB 1 ATOM 1374 C CG . HIS A 1 178 ? -12.110 -21.852 43.138 1.00 15.16 ? 258 HIS A CG 1 ATOM 1375 N ND1 . HIS A 1 178 ? -12.652 -20.619 43.433 1.00 17.56 ? 258 HIS A ND1 1 ATOM 1376 C CD2 . HIS A 1 178 ? -11.054 -22.006 43.973 1.00 17.21 ? 258 HIS A CD2 1 ATOM 1377 C CE1 . HIS A 1 178 ? -11.950 -20.049 44.397 1.00 18.55 ? 258 HIS A CE1 1 ATOM 1378 N NE2 . HIS A 1 178 ? -10.975 -20.870 44.743 1.00 18.26 ? 258 HIS A NE2 1 ATOM 1379 N N . GLU A 1 179 ? -10.722 -20.768 40.051 1.00 12.69 ? 259 GLU A N 1 ATOM 1380 C CA . GLU A 1 179 ? -9.367 -20.411 39.641 1.00 12.61 ? 259 GLU A CA 1 ATOM 1381 C C . GLU A 1 179 ? -8.875 -21.274 38.480 1.00 11.95 ? 259 GLU A C 1 ATOM 1382 O O . GLU A 1 179 ? -7.725 -21.711 38.449 1.00 13.34 ? 259 GLU A O 1 ATOM 1383 C CB . GLU A 1 179 ? -8.409 -20.456 40.835 1.00 14.02 ? 259 GLU A CB 1 ATOM 1384 C CG . GLU A 1 179 ? -8.792 -19.459 41.923 1.00 16.04 ? 259 GLU A CG 1 ATOM 1385 C CD . GLU A 1 179 ? -7.792 -19.395 43.059 1.00 20.18 ? 259 GLU A CD 1 ATOM 1386 O OE1 . GLU A 1 179 ? -7.449 -20.458 43.618 1.00 20.42 ? 259 GLU A OE1 1 ATOM 1387 O OE2 . GLU A 1 179 ? -7.360 -18.273 43.402 1.00 22.46 ? 259 GLU A OE2 1 ATOM 1388 N N . GLY A 1 180 ? -9.762 -21.514 37.520 1.00 11.17 ? 260 GLY A N 1 ATOM 1389 C CA . GLY A 1 180 ? -9.388 -22.202 36.299 1.00 11.55 ? 260 GLY A CA 1 ATOM 1390 C C . GLY A 1 180 ? -9.377 -23.716 36.392 1.00 12.37 ? 260 GLY A C 1 ATOM 1391 O O . GLY A 1 180 ? -9.037 -24.392 35.424 1.00 12.78 ? 260 GLY A O 1 ATOM 1392 N N . MET A 1 181 ? -9.743 -24.253 37.553 1.00 12.16 ? 261 MET A N 1 ATOM 1393 C CA . MET A 1 181 ? -9.840 -25.701 37.720 1.00 11.77 ? 261 MET A CA 1 ATOM 1394 C C . MET A 1 181 ? -11.302 -26.131 37.705 1.00 11.67 ? 261 MET A C 1 ATOM 1395 O O . MET A 1 181 ? -12.126 -25.566 38.423 1.00 12.14 ? 261 MET A O 1 ATOM 1396 C CB . MET A 1 181 ? -9.195 -26.139 39.037 1.00 13.80 ? 261 MET A CB 1 ATOM 1397 C CG . MET A 1 181 ? -7.774 -25.637 39.245 1.00 16.48 ? 261 MET A CG 1 ATOM 1398 S SD . MET A 1 181 ? -6.640 -26.124 37.931 1.00 19.19 ? 261 MET A SD 1 ATOM 1399 C CE . MET A 1 181 ? -6.828 -27.905 37.943 1.00 20.82 ? 261 MET A CE 1 ATOM 1400 N N . VAL A 1 182 ? -11.629 -27.131 36.893 1.00 11.36 ? 262 VAL A N 1 ATOM 1401 C CA . VAL A 1 182 ? -12.986 -27.657 36.901 1.00 11.35 ? 262 VAL A CA 1 ATOM 1402 C C . VAL A 1 182 ? -13.216 -28.377 38.224 1.00 12.34 ? 262 VAL A C 1 ATOM 1403 O O . VAL A 1 182 ? -12.474 -29.297 38.576 1.00 14.71 ? 262 VAL A O 1 ATOM 1404 C CB . VAL A 1 182 ? -13.250 -28.608 35.719 1.00 12.56 ? 262 VAL A CB 1 ATOM 1405 C CG1 . VAL A 1 182 ? -14.633 -29.238 35.845 1.00 13.02 ? 262 VAL A CG1 1 ATOM 1406 C CG2 . VAL A 1 182 ? -13.123 -27.857 34.403 1.00 13.75 ? 262 VAL A CG2 1 ATOM 1407 N N . THR A 1 183 ? -14.233 -27.945 38.962 1.00 11.97 ? 263 THR A N 1 ATOM 1408 C CA . THR A 1 183 ? -14.502 -28.508 40.281 1.00 11.81 ? 263 THR A CA 1 ATOM 1409 C C . THR A 1 183 ? -15.789 -29.324 40.328 1.00 12.08 ? 263 THR A C 1 ATOM 1410 O O . THR A 1 183 ? -16.036 -30.042 41.296 1.00 14.23 ? 263 THR A O 1 ATOM 1411 C CB . THR A 1 183 ? -14.578 -27.411 41.360 1.00 14.23 ? 263 THR A CB 1 ATOM 1412 O OG1 . THR A 1 183 ? -15.565 -26.441 40.985 1.00 15.04 ? 263 THR A OG1 1 ATOM 1413 C CG2 . THR A 1 183 ? -13.226 -26.723 41.524 1.00 14.57 ? 263 THR A CG2 1 ATOM 1414 N N . ASN A 1 184 ? -16.615 -29.201 39.296 1.00 12.22 ? 264 ASN A N 1 ATOM 1415 C CA . ASN A 1 184 ? -17.860 -29.953 39.224 1.00 12.93 ? 264 ASN A CA 1 ATOM 1416 C C . ASN A 1 184 ? -18.399 -29.909 37.799 1.00 11.39 ? 264 ASN A C 1 ATOM 1417 O O . ASN A 1 184 ? -18.082 -28.995 37.036 1.00 11.50 ? 264 ASN A O 1 ATOM 1418 C CB . ASN A 1 184 ? -18.886 -29.371 40.206 1.00 15.86 ? 264 ASN A CB 1 ATOM 1419 C CG . ASN A 1 184 ? -19.955 -30.376 40.623 1.00 18.11 ? 264 ASN A CG 1 ATOM 1420 O OD1 . ASN A 1 184 ? -20.097 -31.446 40.033 1.00 18.71 ? 264 ASN A OD1 1 ATOM 1421 N ND2 . ASN A 1 184 ? -20.719 -30.022 41.651 1.00 20.70 ? 264 ASN A ND2 1 ATOM 1422 N N . GLU A 1 185 ? -19.193 -30.910 37.438 1.00 11.44 ? 265 GLU A N 1 ATOM 1423 C CA . GLU A 1 185 ? -19.882 -30.917 36.156 1.00 13.33 ? 265 GLU A CA 1 ATOM 1424 C C . GLU A 1 185 ? -21.155 -31.741 36.276 1.00 14.13 ? 265 GLU A C 1 ATOM 1425 O O . GLU A 1 185 ? -21.270 -32.598 37.156 1.00 15.42 ? 265 GLU A O 1 ATOM 1426 C CB . GLU A 1 185 ? -18.987 -31.471 35.045 1.00 17.09 ? 265 GLU A CB 1 ATOM 1427 C CG . GLU A 1 185 ? -18.617 -32.935 35.212 1.00 20.88 ? 265 GLU A CG 1 ATOM 1428 C CD . GLU A 1 185 ? -18.036 -33.532 33.942 1.00 26.19 ? 265 GLU A CD 1 ATOM 1429 O OE1 . GLU A 1 185 ? -16.837 -33.308 33.670 1.00 28.14 ? 265 GLU A OE1 1 ATOM 1430 O OE2 . GLU A 1 185 ? -18.779 -34.225 33.215 1.00 28.56 ? 265 GLU A OE2 1 ATOM 1431 N N . ARG A 1 186 ? -22.110 -31.475 35.395 1.00 13.80 ? 266 ARG A N 1 ATOM 1432 C CA . ARG A 1 186 ? -23.390 -32.167 35.426 1.00 14.62 ? 266 ARG A CA 1 ATOM 1433 C C . ARG A 1 186 ? -23.957 -32.250 34.020 1.00 12.67 ? 266 ARG A C 1 ATOM 1434 O O . ARG A 1 186 ? -23.983 -31.254 33.296 1.00 13.92 ? 266 ARG A O 1 ATOM 1435 C CB . ARG A 1 186 ? -24.373 -31.414 36.326 1.00 16.81 ? 266 ARG A CB 1 ATOM 1436 C CG . ARG A 1 186 ? -25.733 -32.086 36.477 1.00 20.42 ? 266 ARG A CG 1 ATOM 1437 C CD . ARG A 1 186 ? -25.736 -33.092 37.614 1.00 24.44 ? 266 ARG A CD 1 ATOM 1438 N NE . ARG A 1 186 ? -25.534 -32.445 38.907 1.00 26.71 ? 266 ARG A NE 1 ATOM 1439 C CZ . ARG A 1 186 ? -26.517 -31.994 39.682 1.00 27.74 ? 266 ARG A CZ 1 ATOM 1440 N NH1 . ARG A 1 186 ? -27.782 -32.126 39.301 1.00 26.70 ? 266 ARG A NH1 1 ATOM 1441 N NH2 . ARG A 1 186 ? -26.233 -31.415 40.842 1.00 27.87 ? 266 ARG A NH2 1 ATOM 1442 N N . GLU A 1 187 ? -24.412 -33.431 33.625 1.00 12.90 ? 267 GLU A N 1 ATOM 1443 C CA . GLU A 1 187 ? -25.130 -33.547 32.367 1.00 14.53 ? 267 GLU A CA 1 ATOM 1444 C C . GLU A 1 187 ? -26.589 -33.148 32.556 1.00 13.71 ? 267 GLU A C 1 ATOM 1445 O O . GLU A 1 187 ? -27.248 -33.572 33.508 1.00 16.05 ? 267 GLU A O 1 ATOM 1446 C CB . GLU A 1 187 ? -25.032 -34.953 31.781 1.00 17.22 ? 267 GLU A CB 1 ATOM 1447 C CG . GLU A 1 187 ? -25.816 -35.090 30.490 1.00 19.49 ? 267 GLU A CG 1 ATOM 1448 C CD . GLU A 1 187 ? -25.363 -36.251 29.633 1.00 22.85 ? 267 GLU A CD 1 ATOM 1449 O OE1 . GLU A 1 187 ? -24.530 -37.058 30.101 1.00 24.96 ? 267 GLU A OE1 1 ATOM 1450 O OE2 . GLU A 1 187 ? -25.843 -36.352 28.483 1.00 22.91 ? 267 GLU A OE2 1 ATOM 1451 N N . VAL A 1 188 ? -27.076 -32.316 31.644 1.00 12.25 ? 268 VAL A N 1 ATOM 1452 C CA . VAL A 1 188 ? -28.451 -31.842 31.673 1.00 14.19 ? 268 VAL A CA 1 ATOM 1453 C C . VAL A 1 188 ? -29.337 -32.763 30.847 1.00 14.66 ? 268 VAL A C 1 ATOM 1454 O O . VAL A 1 188 ? -29.133 -32.912 29.642 1.00 15.75 ? 268 VAL A O 1 ATOM 1455 C CB . VAL A 1 188 ? -28.543 -30.415 31.105 1.00 14.92 ? 268 VAL A CB 1 ATOM 1456 C CG1 . VAL A 1 188 ? -29.995 -29.956 31.023 1.00 16.58 ? 268 VAL A CG1 1 ATOM 1457 C CG2 . VAL A 1 188 ? -27.715 -29.460 31.949 1.00 15.64 ? 268 VAL A CG2 1 ATOM 1458 N N . SER A 1 189 ? -30.316 -33.387 31.494 1.00 14.78 ? 269 SER A N 1 ATOM 1459 C CA . SER A 1 189 ? -31.250 -34.264 30.791 1.00 16.88 ? 269 SER A CA 1 ATOM 1460 C C . SER A 1 189 ? -32.316 -33.440 30.075 1.00 15.06 ? 269 SER A C 1 ATOM 1461 O O . SER A 1 189 ? -33.065 -32.694 30.705 1.00 16.08 ? 269 SER A O 1 ATOM 1462 C CB . SER A 1 189 ? -31.898 -35.248 31.764 1.00 18.98 ? 269 SER A CB 1 ATOM 1463 O OG . SER A 1 189 ? -32.804 -36.104 31.089 1.00 23.20 ? 269 SER A OG 1 ATOM 1464 N N . PHE A 1 190 ? -32.385 -33.580 28.756 1.00 14.47 ? 270 PHE A N 1 ATOM 1465 C CA . PHE A 1 190 ? -33.237 -32.720 27.944 1.00 13.28 ? 270 PHE A CA 1 ATOM 1466 C C . PHE A 1 190 ? -33.645 -33.480 26.688 1.00 14.44 ? 270 PHE A C 1 ATOM 1467 O O . PHE A 1 190 ? -33.316 -33.082 25.572 1.00 15.31 ? 270 PHE A O 1 ATOM 1468 C CB . PHE A 1 190 ? -32.465 -31.440 27.589 1.00 13.30 ? 270 PHE A CB 1 ATOM 1469 C CG . PHE A 1 190 ? -33.328 -30.297 27.115 1.00 14.34 ? 270 PHE A CG 1 ATOM 1470 C CD1 . PHE A 1 190 ? -34.660 -30.200 27.481 1.00 14.78 ? 270 PHE A CD1 1 ATOM 1471 C CD2 . PHE A 1 190 ? -32.783 -29.297 26.324 1.00 14.72 ? 270 PHE A CD2 1 ATOM 1472 C CE1 . PHE A 1 190 ? -35.436 -29.134 27.051 1.00 14.91 ? 270 PHE A CE1 1 ATOM 1473 C CE2 . PHE A 1 190 ? -33.551 -28.231 25.890 1.00 15.30 ? 270 PHE A CE2 1 ATOM 1474 C CZ . PHE A 1 190 ? -34.878 -28.147 26.257 1.00 15.37 ? 270 PHE A CZ 1 ATOM 1475 N N . GLN A 1 191 ? -34.351 -34.589 26.880 1.00 16.33 ? 271 GLN A N 1 ATOM 1476 C CA . GLN A 1 191 ? -34.776 -35.428 25.764 1.00 17.13 ? 271 GLN A CA 1 ATOM 1477 C C . GLN A 1 191 ? -35.788 -34.704 24.880 1.00 16.70 ? 271 GLN A C 1 ATOM 1478 O O . GLN A 1 191 ? -36.820 -34.230 25.355 1.00 18.22 ? 271 GLN A O 1 ATOM 1479 C CB . GLN A 1 191 ? -35.353 -36.751 26.270 1.00 20.65 ? 271 GLN A CB 1 ATOM 1480 C CG . GLN A 1 191 ? -34.310 -37.676 26.882 1.00 26.15 ? 271 GLN A CG 1 ATOM 1481 C CD . GLN A 1 191 ? -33.226 -38.070 25.892 1.00 31.25 ? 271 GLN A CD 1 ATOM 1482 O OE1 . GLN A 1 191 ? -32.112 -37.545 25.930 1.00 33.91 ? 271 GLN A OE1 1 ATOM 1483 N NE2 . GLN A 1 191 ? -33.551 -38.998 24.998 1.00 32.79 ? 271 GLN A NE2 1 ATOM 1484 N N . GLY A 1 192 ? -35.477 -34.615 23.592 1.00 15.09 ? 272 GLY A N 1 ATOM 1485 C CA . GLY A 1 192 ? -36.319 -33.898 22.652 1.00 15.23 ? 272 GLY A CA 1 ATOM 1486 C C . GLY A 1 192 ? -35.957 -32.427 22.569 1.00 13.91 ? 272 GLY A C 1 ATOM 1487 O O . GLY A 1 192 ? -36.496 -31.693 21.744 1.00 14.96 ? 272 GLY A O 1 ATOM 1488 N N . GLY A 1 193 ? -35.048 -31.994 23.438 1.00 13.25 ? 273 GLY A N 1 ATOM 1489 C CA . GLY A 1 193 ? -34.586 -30.617 23.433 1.00 11.81 ? 273 GLY A CA 1 ATOM 1490 C C . GLY A 1 193 ? -33.185 -30.504 22.867 1.00 11.94 ? 273 GLY A C 1 ATOM 1491 O O . GLY A 1 193 ? -32.447 -31.490 22.797 1.00 12.84 ? 273 GLY A O 1 ATOM 1492 N N . HIS A 1 194 ? -32.815 -29.296 22.458 1.00 11.99 ? 274 HIS A N 1 ATOM 1493 C CA . HIS A 1 194 ? -31.505 -29.061 21.870 1.00 11.25 ? 274 HIS A CA 1 ATOM 1494 C C . HIS A 1 194 ? -30.950 -27.741 22.383 1.00 11.65 ? 274 HIS A C 1 ATOM 1495 O O . HIS A 1 194 ? -31.639 -26.722 22.346 1.00 13.11 ? 274 HIS A O 1 ATOM 1496 C CB . HIS A 1 194 ? -31.607 -29.045 20.342 1.00 11.63 ? 274 HIS A CB 1 ATOM 1497 C CG . HIS A 1 194 ? -30.301 -29.269 19.647 1.00 12.12 ? 274 HIS A CG 1 ATOM 1498 N ND1 . HIS A 1 194 ? -29.586 -28.248 19.060 1.00 13.68 ? 274 HIS A ND1 1 ATOM 1499 C CD2 . HIS A 1 194 ? -29.576 -30.397 19.452 1.00 12.63 ? 274 HIS A CD2 1 ATOM 1500 C CE1 . HIS A 1 194 ? -28.477 -28.736 18.531 1.00 13.76 ? 274 HIS A CE1 1 ATOM 1501 N NE2 . HIS A 1 194 ? -28.448 -30.038 18.755 1.00 13.91 ? 274 HIS A NE2 1 ATOM 1502 N N . ILE A 1 195 ? -29.710 -27.768 22.865 1.00 10.87 ? 275 ILE A N 1 ATOM 1503 C CA . ILE A 1 195 ? -29.074 -26.588 23.444 1.00 10.99 ? 275 ILE A CA 1 ATOM 1504 C C . ILE A 1 195 ? -27.752 -26.267 22.759 1.00 11.96 ? 275 ILE A C 1 ATOM 1505 O O . ILE A 1 195 ? -26.856 -27.112 22.693 1.00 13.37 ? 275 ILE A O 1 ATOM 1506 C CB . ILE A 1 195 ? -28.822 -26.777 24.955 1.00 13.11 ? 275 ILE A CB 1 ATOM 1507 C CG1 . ILE A 1 195 ? -30.150 -26.816 25.709 1.00 14.26 ? 275 ILE A CG1 1 ATOM 1508 C CG2 . ILE A 1 195 ? -27.925 -25.667 25.503 1.00 13.52 ? 275 ILE A CG2 1 ATOM 1509 C CD1 . ILE A 1 195 ? -30.000 -27.155 27.176 1.00 14.66 ? 275 ILE A CD1 1 ATOM 1510 N N . GLU A 1 196 ? -27.648 -25.040 22.252 1.00 12.01 ? 276 GLU A N 1 ATOM 1511 C CA . GLU A 1 196 ? -26.433 -24.530 21.626 1.00 13.51 ? 276 GLU A CA 1 ATOM 1512 C C . GLU A 1 196 ? -26.234 -23.089 22.052 1.00 11.02 ? 276 GLU A C 1 ATOM 1513 O O . GLU A 1 196 ? -27.203 -22.381 22.308 1.00 10.99 ? 276 GLU A O 1 ATOM 1514 C CB . GLU A 1 196 ? -26.570 -24.540 20.100 1.00 14.23 ? 276 GLU A CB 1 ATOM 1515 C CG . GLU A 1 196 ? -26.833 -25.894 19.487 1.00 16.47 ? 276 GLU A CG 1 ATOM 1516 C CD . GLU A 1 196 ? -25.562 -26.571 19.032 1.00 18.97 ? 276 GLU A CD 1 ATOM 1517 O OE1 . GLU A 1 196 ? -24.504 -26.323 19.649 1.00 20.36 ? 276 GLU A OE1 1 ATOM 1518 O OE2 . GLU A 1 196 ? -25.622 -27.348 18.056 1.00 18.26 ? 276 GLU A OE2 1 ATOM 1519 N N . GLU A 1 197 ? -24.980 -22.655 22.115 1.00 10.11 ? 277 GLU A N 1 ATOM 1520 C CA . GLU A 1 197 ? -24.661 -21.230 22.179 1.00 9.01 ? 277 GLU A CA 1 ATOM 1521 C C . GLU A 1 197 ? -25.448 -20.463 23.241 1.00 9.50 ? 277 GLU A C 1 ATOM 1522 O O . GLU A 1 197 ? -26.058 -19.431 22.957 1.00 9.71 ? 277 GLU A O 1 ATOM 1523 C CB . GLU A 1 197 ? -24.860 -20.606 20.794 1.00 9.03 ? 277 GLU A CB 1 ATOM 1524 C CG . GLU A 1 197 ? -23.886 -21.162 19.767 1.00 10.25 ? 277 GLU A CG 1 ATOM 1525 C CD . GLU A 1 197 ? -24.210 -20.758 18.343 1.00 12.06 ? 277 GLU A CD 1 ATOM 1526 O OE1 . GLU A 1 197 ? -25.310 -20.219 18.093 1.00 12.58 ? 277 GLU A OE1 1 ATOM 1527 O OE2 . GLU A 1 197 ? -23.357 -20.997 17.464 1.00 13.44 ? 277 GLU A OE2 1 ATOM 1528 N N . CYS A 1 198 ? -25.412 -20.957 24.473 1.00 9.11 ? 278 CYS A N 1 ATOM 1529 C CA . CYS A 1 198 ? -26.174 -20.332 25.548 1.00 9.85 ? 278 CYS A CA 1 ATOM 1530 C C . CYS A 1 198 ? -25.705 -18.922 25.880 1.00 9.65 ? 278 CYS A C 1 ATOM 1531 O O . CYS A 1 198 ? -24.505 -18.652 25.971 1.00 10.51 ? 278 CYS A O 1 ATOM 1532 C CB . CYS A 1 198 ? -26.124 -21.186 26.809 1.00 12.28 ? 278 CYS A CB 1 ATOM 1533 S SG . CYS A 1 198 ? -27.145 -22.662 26.707 1.00 15.44 ? 278 CYS A SG 1 ATOM 1534 N N . SER A 1 199 ? -26.670 -18.028 26.062 1.00 9.37 ? 279 SER A N 1 ATOM 1535 C CA . SER A 1 199 ? -26.404 -16.696 26.584 1.00 9.28 ? 279 SER A CA 1 ATOM 1536 C C . SER A 1 199 ? -26.834 -16.679 28.041 1.00 9.30 ? 279 SER A C 1 ATOM 1537 O O . SER A 1 199 ? -28.019 -16.796 28.341 1.00 10.43 ? 279 SER A O 1 ATOM 1538 C CB . SER A 1 199 ? -27.168 -15.644 25.778 1.00 10.42 ? 279 SER A CB 1 ATOM 1539 O OG . SER A 1 199 ? -26.620 -15.513 24.474 1.00 12.21 ? 279 SER A OG 1 ATOM 1540 N N . CYS A 1 200 ? -25.866 -16.560 28.946 1.00 9.76 ? 280 CYS A N 1 ATOM 1541 C CA . CYS A 1 200 ? -26.129 -16.734 30.373 1.00 10.55 ? 280 CYS A CA 1 ATOM 1542 C C . CYS A 1 200 ? -25.782 -15.488 31.172 1.00 8.90 ? 280 CYS A C 1 ATOM 1543 O O . CYS A 1 200 ? -24.894 -14.723 30.791 1.00 11.77 ? 280 CYS A O 1 ATOM 1544 C CB . CYS A 1 200 ? -25.323 -17.915 30.924 1.00 11.27 ? 280 CYS A CB 1 ATOM 1545 S SG . CYS A 1 200 ? -25.571 -19.491 30.069 1.00 12.25 ? 280 CYS A SG 1 ATOM 1546 N N . TYR A 1 201 ? -26.477 -15.298 32.289 1.00 9.51 ? 281 TYR A N 1 ATOM 1547 C CA . TYR A 1 201 ? -26.224 -14.166 33.169 1.00 10.04 ? 281 TYR A CA 1 ATOM 1548 C C . TYR A 1 201 ? -26.584 -14.562 34.593 1.00 10.77 ? 281 TYR A C 1 ATOM 1549 O O . TYR A 1 201 ? -27.382 -15.474 34.809 1.00 10.36 ? 281 TYR A O 1 ATOM 1550 C CB . TYR A 1 201 ? -27.062 -12.958 32.734 1.00 10.78 ? 281 TYR A CB 1 ATOM 1551 C CG . TYR A 1 201 ? -28.538 -13.265 32.731 1.00 11.60 ? 281 TYR A CG 1 ATOM 1552 C CD1 . TYR A 1 201 ? -29.146 -13.838 31.619 1.00 12.17 ? 281 TYR A CD1 1 ATOM 1553 C CD2 . TYR A 1 201 ? -29.318 -13.022 33.855 1.00 10.66 ? 281 TYR A CD2 1 ATOM 1554 C CE1 . TYR A 1 201 ? -30.494 -14.149 31.623 1.00 11.98 ? 281 TYR A CE1 1 ATOM 1555 C CE2 . TYR A 1 201 ? -30.665 -13.329 33.868 1.00 11.71 ? 281 TYR A CE2 1 ATOM 1556 C CZ . TYR A 1 201 ? -31.248 -13.888 32.747 1.00 12.54 ? 281 TYR A CZ 1 ATOM 1557 O OH . TYR A 1 201 ? -32.588 -14.202 32.758 1.00 13.66 ? 281 TYR A OH 1 ATOM 1558 N N . PRO A 1 202 ? -25.983 -13.889 35.577 1.00 11.00 ? 282 PRO A N 1 ATOM 1559 C CA . PRO A 1 202 ? -26.326 -14.133 36.982 1.00 11.76 ? 282 PRO A CA 1 ATOM 1560 C C . PRO A 1 202 ? -27.612 -13.416 37.381 1.00 11.82 ? 282 PRO A C 1 ATOM 1561 O O . PRO A 1 202 ? -27.863 -12.296 36.932 1.00 13.29 ? 282 PRO A O 1 ATOM 1562 C CB . PRO A 1 202 ? -25.134 -13.541 37.738 1.00 12.95 ? 282 PRO A CB 1 ATOM 1563 C CG . PRO A 1 202 ? -24.591 -12.490 36.822 1.00 13.35 ? 282 PRO A CG 1 ATOM 1564 C CD . PRO A 1 202 ? -24.839 -12.972 35.423 1.00 12.19 ? 282 PRO A CD 1 ATOM 1565 N N . ASN A 1 203 ? -28.420 -14.064 38.213 1.00 11.32 ? 283 ASN A N 1 ATOM 1566 C CA . ASN A 1 203 ? -29.642 -13.455 38.722 1.00 12.16 ? 283 ASN A CA 1 ATOM 1567 C C . ASN A 1 203 ? -29.975 -14.047 40.086 1.00 12.69 ? 283 ASN A C 1 ATOM 1568 O O . ASN A 1 203 ? -30.374 -15.206 40.187 1.00 14.77 ? 283 ASN A O 1 ATOM 1569 C CB . ASN A 1 203 ? -30.797 -13.665 37.733 1.00 12.66 ? 283 ASN A CB 1 ATOM 1570 C CG . ASN A 1 203 ? -32.018 -12.809 38.057 1.00 13.19 ? 283 ASN A CG 1 ATOM 1571 O OD1 . ASN A 1 203 ? -32.024 -12.047 39.025 1.00 12.76 ? 283 ASN A OD1 1 ATOM 1572 N ND2 . ASN A 1 203 ? -33.058 -12.932 37.235 1.00 13.24 ? 283 ASN A ND2 1 ATOM 1573 N N . LEU A 1 204 ? -29.781 -13.249 41.133 1.00 13.66 ? 284 LEU A N 1 ATOM 1574 C CA . LEU A 1 204 ? -30.034 -13.676 42.507 1.00 15.50 ? 284 LEU A CA 1 ATOM 1575 C C . LEU A 1 204 ? -29.306 -14.976 42.854 1.00 15.01 ? 284 LEU A C 1 ATOM 1576 O O . LEU A 1 204 ? -29.864 -15.865 43.499 1.00 16.26 ? 284 LEU A O 1 ATOM 1577 C CB . LEU A 1 204 ? -31.536 -13.808 42.776 1.00 18.39 ? 284 LEU A CB 1 ATOM 1578 C CG . LEU A 1 204 ? -31.966 -13.516 44.217 1.00 22.54 ? 284 LEU A CG 1 ATOM 1579 C CD1 . LEU A 1 204 ? -31.558 -12.105 44.625 1.00 22.53 ? 284 LEU A CD1 1 ATOM 1580 C CD2 . LEU A 1 204 ? -33.466 -13.707 44.383 1.00 24.20 ? 284 LEU A CD2 1 ATOM 1581 N N . GLY A 1 205 ? -28.057 -15.083 42.413 1.00 14.76 ? 285 GLY A N 1 ATOM 1582 C CA . GLY A 1 205 ? -27.207 -16.190 42.811 1.00 16.94 ? 285 GLY A CA 1 ATOM 1583 C C . GLY A 1 205 ? -27.396 -17.465 42.012 1.00 16.86 ? 285 GLY A C 1 ATOM 1584 O O . GLY A 1 205 ? -26.797 -18.492 42.327 1.00 18.00 ? 285 GLY A O 1 ATOM 1585 N N . LYS A 1 206 ? -28.235 -17.405 40.984 1.00 15.10 ? 286 LYS A N 1 ATOM 1586 C CA . LYS A 1 206 ? -28.382 -18.519 40.057 1.00 14.72 ? 286 LYS A CA 1 ATOM 1587 C C . LYS A 1 206 ? -27.936 -18.084 38.670 1.00 14.10 ? 286 LYS A C 1 ATOM 1588 O O . LYS A 1 206 ? -27.884 -16.890 38.378 1.00 14.75 ? 286 LYS A O 1 ATOM 1589 C CB . LYS A 1 206 ? -29.832 -19.000 40.009 1.00 16.66 ? 286 LYS A CB 1 ATOM 1590 C CG . LYS A 1 206 ? -30.333 -19.608 41.310 1.00 19.02 ? 286 LYS A CG 1 ATOM 1591 C CD . LYS A 1 206 ? -31.677 -20.281 41.106 1.00 21.40 ? 286 LYS A CD 1 ATOM 1592 C CE . LYS A 1 206 ? -32.169 -20.931 42.388 1.00 25.06 ? 286 LYS A CE 1 ATOM 1593 N NZ . LYS A 1 206 ? -33.433 -21.685 42.169 1.00 28.34 ? 286 LYS A NZ 1 ATOM 1594 N N . VAL A 1 207 ? -27.603 -19.051 37.821 1.00 11.59 ? 287 VAL A N 1 ATOM 1595 C CA . VAL A 1 207 ? -27.273 -18.747 36.437 1.00 11.47 ? 287 VAL A CA 1 ATOM 1596 C C . VAL A 1 207 ? -28.499 -19.008 35.573 1.00 10.74 ? 287 VAL A C 1 ATOM 1597 O O . VAL A 1 207 ? -29.077 -20.096 35.611 1.00 11.05 ? 287 VAL A O 1 ATOM 1598 C CB . VAL A 1 207 ? -26.092 -19.594 35.924 1.00 11.77 ? 287 VAL A CB 1 ATOM 1599 C CG1 . VAL A 1 207 ? -25.732 -19.193 34.494 1.00 12.97 ? 287 VAL A CG1 1 ATOM 1600 C CG2 . VAL A 1 207 ? -24.887 -19.438 36.840 1.00 13.52 ? 287 VAL A CG2 1 ATOM 1601 N N . GLU A 1 208 ? -28.905 -17.999 34.810 1.00 11.13 ? 288 GLU A N 1 ATOM 1602 C CA . GLU A 1 208 ? -30.028 -18.140 33.895 1.00 11.25 ? 288 GLU A CA 1 ATOM 1603 C C . GLU A 1 208 ? -29.519 -18.047 32.464 1.00 10.53 ? 288 GLU A C 1 ATOM 1604 O O . GLU A 1 208 ? -28.782 -17.124 32.122 1.00 10.31 ? 288 GLU A O 1 ATOM 1605 C CB . GLU A 1 208 ? -31.103 -17.086 34.191 1.00 12.13 ? 288 GLU A CB 1 ATOM 1606 C CG . GLU A 1 208 ? -31.738 -17.281 35.567 1.00 11.92 ? 288 GLU A CG 1 ATOM 1607 C CD . GLU A 1 208 ? -32.794 -16.239 35.928 1.00 13.45 ? 288 GLU A CD 1 ATOM 1608 O OE1 . GLU A 1 208 ? -32.906 -15.207 35.236 1.00 13.27 ? 288 GLU A OE1 1 ATOM 1609 O OE2 . GLU A 1 208 ? -33.510 -16.455 36.927 1.00 14.89 ? 288 GLU A OE2 1 ATOM 1610 N N . CYS A 1 209 ? -29.895 -19.024 31.642 1.00 10.67 ? 289 CYS A N 1 ATOM 1611 C CA . CYS A 1 209 ? -29.416 -19.103 30.268 1.00 11.03 ? 289 CYS A CA 1 ATOM 1612 C C . CYS A 1 209 ? -30.564 -19.156 29.276 1.00 10.71 ? 289 CYS A C 1 ATOM 1613 O O . CYS A 1 209 ? -31.555 -19.861 29.489 1.00 12.00 ? 289 CYS A O 1 ATOM 1614 C CB . CYS A 1 209 ? -28.549 -20.348 30.069 1.00 12.10 ? 289 CYS A CB 1 ATOM 1615 S SG . CYS A 1 209 ? -27.070 -20.433 31.094 1.00 13.47 ? 289 CYS A SG 1 ATOM 1616 N N . VAL A 1 210 ? -30.410 -18.409 28.188 1.00 10.36 ? 290 VAL A N 1 ATOM 1617 C CA . VAL A 1 210 ? -31.317 -18.473 27.051 1.00 10.62 ? 290 VAL A CA 1 ATOM 1618 C C . VAL A 1 210 ? -30.488 -18.932 25.859 1.00 10.33 ? 290 VAL A C 1 ATOM 1619 O O . VAL A 1 210 ? -29.491 -18.293 25.504 1.00 10.57 ? 290 VAL A O 1 ATOM 1620 C CB . VAL A 1 210 ? -31.938 -17.098 26.753 1.00 11.35 ? 290 VAL A CB 1 ATOM 1621 C CG1 . VAL A 1 210 ? -32.873 -17.182 25.565 1.00 12.52 ? 290 VAL A CG1 1 ATOM 1622 C CG2 . VAL A 1 210 ? -32.675 -16.570 27.980 1.00 13.04 ? 290 VAL A CG2 1 ATOM 1623 N N . CYS A 1 211 ? -30.890 -20.036 25.238 1.00 10.05 ? 291 CYS A N 1 ATOM 1624 C CA . CYS A 1 211 ? -30.016 -20.695 24.274 1.00 10.08 ? 291 CYS A CA 1 ATOM 1625 C C . CYS A 1 211 ? -30.617 -20.806 22.876 1.00 10.03 ? 291 CYS A C 1 ATOM 1626 O O . CYS A 1 211 ? -31.621 -20.166 22.559 1.00 10.68 ? 291 CYS A O 1 ATOM 1627 C CB . CYS A 1 211 ? -29.607 -22.080 24.797 1.00 10.79 ? 291 CYS A CB 1 ATOM 1628 S SG . CYS A 1 211 ? -29.120 -22.087 26.563 1.00 14.19 ? 291 CYS A SG 1 ATOM 1629 N N . ARG A 1 212 ? -29.972 -21.617 22.045 1.00 10.25 ? 292 ARG A N 1 ATOM 1630 C CA . ARG A 1 212 ? -30.395 -21.845 20.672 1.00 10.67 ? 292 ARG A CA 1 ATOM 1631 C C . ARG A 1 212 ? -30.705 -23.323 20.479 1.00 11.22 ? 292 ARG A C 1 ATOM 1632 O O . ARG A 1 212 ? -29.878 -24.182 20.781 1.00 12.09 ? 292 ARG A O 1 ATOM 1633 C CB . ARG A 1 212 ? -29.280 -21.414 19.712 1.00 9.86 ? 292 ARG A CB 1 ATOM 1634 C CG . ARG A 1 212 ? -29.382 -21.966 18.297 1.00 10.80 ? 292 ARG A CG 1 ATOM 1635 C CD . ARG A 1 212 ? -28.173 -21.532 17.470 1.00 10.68 ? 292 ARG A CD 1 ATOM 1636 N NE . ARG A 1 212 ? -28.154 -22.114 16.129 1.00 11.98 ? 292 ARG A NE 1 ATOM 1637 C CZ . ARG A 1 212 ? -27.296 -21.752 15.181 1.00 12.91 ? 292 ARG A CZ 1 ATOM 1638 N NH1 . ARG A 1 212 ? -26.395 -20.807 15.428 1.00 11.34 ? 292 ARG A NH1 1 ATOM 1639 N NH2 . ARG A 1 212 ? -27.338 -22.328 13.987 1.00 13.13 ? 292 ARG A NH2 1 ATOM 1640 N N . ASP A 1 213 ? -31.912 -23.614 20.006 1.00 11.72 ? 293 ASP A N 1 ATOM 1641 C CA . ASP A 1 213 ? -32.293 -24.970 19.641 1.00 11.88 ? 293 ASP A CA 1 ATOM 1642 C C . ASP A 1 213 ? -32.066 -25.099 18.146 1.00 11.32 ? 293 ASP A C 1 ATOM 1643 O O . ASP A 1 213 ? -32.679 -24.381 17.372 1.00 11.21 ? 293 ASP A O 1 ATOM 1644 C CB . ASP A 1 213 ? -33.767 -25.211 19.998 1.00 12.76 ? 293 ASP A CB 1 ATOM 1645 C CG . ASP A 1 213 ? -34.267 -26.582 19.574 1.00 13.86 ? 293 ASP A CG 1 ATOM 1646 O OD1 . ASP A 1 213 ? -34.057 -26.974 18.409 1.00 13.70 ? 293 ASP A OD1 1 ATOM 1647 O OD2 . ASP A 1 213 ? -34.903 -27.263 20.407 1.00 15.12 ? 293 ASP A OD2 1 ATOM 1648 N N . ASN A 1 214 ? -31.170 -25.991 17.740 1.00 11.75 ? 294 ASN A N 1 ATOM 1649 C CA . ASN A 1 214 ? -30.830 -26.142 16.327 1.00 12.25 ? 294 ASN A CA 1 ATOM 1650 C C . ASN A 1 214 ? -31.503 -27.365 15.713 1.00 12.03 ? 294 ASN A C 1 ATOM 1651 O O . ASN A 1 214 ? -31.103 -27.842 14.647 1.00 12.54 ? 294 ASN A O 1 ATOM 1652 C CB . ASN A 1 214 ? -29.312 -26.242 16.165 1.00 13.57 ? 294 ASN A CB 1 ATOM 1653 C CG . ASN A 1 214 ? -28.822 -25.661 14.856 1.00 14.92 ? 294 ASN A CG 1 ATOM 1654 O OD1 . ASN A 1 214 ? -29.150 -24.527 14.505 1.00 15.19 ? 294 ASN A OD1 1 ATOM 1655 N ND2 . ASN A 1 214 ? -28.014 -26.430 14.132 1.00 14.80 ? 294 ASN A ND2 1 ATOM 1656 N N . TRP A 1 215 ? -32.536 -27.851 16.395 1.00 11.95 ? 295 TRP A N 1 ATOM 1657 C CA . TRP A 1 215 ? -33.217 -29.088 16.040 1.00 12.28 ? 295 TRP A CA 1 ATOM 1658 C C . TRP A 1 215 ? -34.687 -28.798 15.718 1.00 12.75 ? 295 TRP A C 1 ATOM 1659 O O . TRP A 1 215 ? -34.998 -28.319 14.626 1.00 15.02 ? 295 TRP A O 1 ATOM 1660 C CB . TRP A 1 215 ? -33.067 -30.087 17.192 1.00 13.50 ? 295 TRP A CB 1 ATOM 1661 C CG . TRP A 1 215 ? -33.568 -31.482 16.951 1.00 12.82 ? 295 TRP A CG 1 ATOM 1662 C CD1 . TRP A 1 215 ? -33.967 -32.031 15.766 1.00 13.91 ? 295 TRP A CD1 1 ATOM 1663 C CD2 . TRP A 1 215 ? -33.714 -32.510 17.940 1.00 14.62 ? 295 TRP A CD2 1 ATOM 1664 N NE1 . TRP A 1 215 ? -34.359 -33.338 15.960 1.00 15.15 ? 295 TRP A NE1 1 ATOM 1665 C CE2 . TRP A 1 215 ? -34.209 -33.655 17.285 1.00 15.86 ? 295 TRP A CE2 1 ATOM 1666 C CE3 . TRP A 1 215 ? -33.474 -32.570 19.317 1.00 14.88 ? 295 TRP A CE3 1 ATOM 1667 C CZ2 . TRP A 1 215 ? -34.472 -34.847 17.961 1.00 16.73 ? 295 TRP A CZ2 1 ATOM 1668 C CZ3 . TRP A 1 215 ? -33.733 -33.754 19.987 1.00 16.08 ? 295 TRP A CZ3 1 ATOM 1669 C CH2 . TRP A 1 215 ? -34.226 -34.877 19.308 1.00 17.01 ? 295 TRP A CH2 1 ATOM 1670 N N . ASN A 1 216 ? -35.581 -29.055 16.670 1.00 13.22 ? 296 ASN A N 1 ATOM 1671 C CA . ASN A 1 216 ? -37.022 -28.916 16.430 1.00 14.03 ? 296 ASN A CA 1 ATOM 1672 C C . ASN A 1 216 ? -37.683 -27.644 16.973 1.00 13.52 ? 296 ASN A C 1 ATOM 1673 O O . ASN A 1 216 ? -38.905 -27.514 16.915 1.00 15.59 ? 296 ASN A O 1 ATOM 1674 C CB . ASN A 1 216 ? -37.773 -30.133 16.991 1.00 15.52 ? 296 ASN A CB 1 ATOM 1675 C CG . ASN A 1 216 ? -37.509 -31.398 16.204 1.00 17.01 ? 296 ASN A CG 1 ATOM 1676 O OD1 . ASN A 1 216 ? -37.400 -32.487 16.772 1.00 19.38 ? 296 ASN A OD1 1 ATOM 1677 N ND2 . ASN A 1 216 ? -37.407 -31.264 14.890 1.00 16.47 ? 296 ASN A ND2 1 ATOM 1678 N N . GLY A 1 217 ? -36.902 -26.707 17.502 1.00 12.43 ? 297 GLY A N 1 ATOM 1679 C CA . GLY A 1 217 ? -37.497 -25.551 18.154 1.00 12.23 ? 297 GLY A CA 1 ATOM 1680 C C . GLY A 1 217 ? -37.178 -24.195 17.557 1.00 12.65 ? 297 GLY A C 1 ATOM 1681 O O . GLY A 1 217 ? -36.012 -23.872 17.344 1.00 12.16 ? 297 GLY A O 1 ATOM 1682 N N . MET A 1 218 ? -38.215 -23.398 17.299 1.00 12.65 ? 298 MET A N 1 ATOM 1683 C CA . MET A 1 218 ? -38.037 -21.994 16.927 1.00 12.56 ? 298 MET A CA 1 ATOM 1684 C C . MET A 1 218 ? -38.201 -21.117 18.168 1.00 13.03 ? 298 MET A C 1 ATOM 1685 O O . MET A 1 218 ? -37.986 -19.901 18.122 1.00 13.15 ? 298 MET A O 1 ATOM 1686 C CB . MET A 1 218 ? -39.033 -21.575 15.845 1.00 13.63 ? 298 MET A CB 1 ATOM 1687 C CG . MET A 1 218 ? -40.442 -21.333 16.358 1.00 13.34 ? 298 MET A CG 1 ATOM 1688 S SD . MET A 1 218 ? -41.597 -20.872 15.051 1.00 15.93 ? 298 MET A SD 1 ATOM 1689 C CE . MET A 1 218 ? -42.073 -22.480 14.420 1.00 15.27 ? 298 MET A CE 1 ATOM 1690 N N . ASN A 1 219 ? -38.615 -21.739 19.269 1.00 12.44 ? 299 ASN A N 1 ATOM 1691 C CA . ASN A 1 219 ? -38.527 -21.105 20.577 1.00 12.20 ? 299 ASN A CA 1 ATOM 1692 C C . ASN A 1 219 ? -37.176 -21.427 21.214 1.00 11.90 ? 299 ASN A C 1 ATOM 1693 O O . ASN A 1 219 ? -36.527 -22.414 20.854 1.00 12.59 ? 299 ASN A O 1 ATOM 1694 C CB . ASN A 1 219 ? -39.709 -21.477 21.493 1.00 13.58 ? 299 ASN A CB 1 ATOM 1695 C CG . ASN A 1 219 ? -39.966 -22.984 21.582 1.00 13.65 ? 299 ASN A CG 1 ATOM 1696 O OD1 . ASN A 1 219 ? -39.419 -23.779 20.819 1.00 14.31 ? 299 ASN A OD1 1 ATOM 1697 N ND2 . ASN A 1 219 ? -40.828 -23.374 22.520 1.00 13.85 ? 299 ASN A ND2 1 ATOM 1698 N N . ARG A 1 220 ? -36.739 -20.579 22.137 1.00 11.43 ? 300 ARG A N 1 ATOM 1699 C CA . ARG A 1 220 ? -35.416 -20.733 22.739 1.00 11.14 ? 300 ARG A CA 1 ATOM 1700 C C . ARG A 1 220 ? -35.449 -21.548 24.022 1.00 11.64 ? 300 ARG A C 1 ATOM 1701 O O . ARG A 1 220 ? -36.295 -21.322 24.884 1.00 12.52 ? 300 ARG A O 1 ATOM 1702 C CB . ARG A 1 220 ? -34.786 -19.367 23.012 1.00 11.61 ? 300 ARG A CB 1 ATOM 1703 C CG . ARG A 1 220 ? -34.467 -18.596 21.752 1.00 10.48 ? 300 ARG A CG 1 ATOM 1704 C CD . ARG A 1 220 ? -33.498 -17.458 22.033 1.00 10.88 ? 300 ARG A CD 1 ATOM 1705 N NE . ARG A 1 220 ? -33.150 -16.746 20.808 1.00 10.21 ? 300 ARG A NE 1 ATOM 1706 C CZ . ARG A 1 220 ? -32.265 -17.189 19.920 1.00 10.15 ? 300 ARG A CZ 1 ATOM 1707 N NH1 . ARG A 1 220 ? -31.637 -18.339 20.130 1.00 11.40 ? 300 ARG A NH1 1 ATOM 1708 N NH2 . ARG A 1 220 ? -32.010 -16.487 18.823 1.00 10.59 ? 300 ARG A NH2 1 ATOM 1709 N N . PRO A 1 221 ? -34.516 -22.499 24.155 1.00 10.70 ? 301 PRO A N 1 ATOM 1710 C CA . PRO A 1 221 ? -34.392 -23.232 25.417 1.00 11.34 ? 301 PRO A CA 1 ATOM 1711 C C . PRO A 1 221 ? -34.006 -22.292 26.552 1.00 11.76 ? 301 PRO A C 1 ATOM 1712 O O . PRO A 1 221 ? -33.284 -21.314 26.333 1.00 12.67 ? 301 PRO A O 1 ATOM 1713 C CB . PRO A 1 221 ? -33.246 -24.212 25.146 1.00 12.58 ? 301 PRO A CB 1 ATOM 1714 C CG . PRO A 1 221 ? -33.157 -24.310 23.667 1.00 13.34 ? 301 PRO A CG 1 ATOM 1715 C CD . PRO A 1 221 ? -33.556 -22.969 23.143 1.00 12.06 ? 301 PRO A CD 1 ATOM 1716 N N . ILE A 1 222 ? -34.503 -22.587 27.746 1.00 11.70 ? 302 ILE A N 1 ATOM 1717 C CA . ILE A 1 222 ? -34.094 -21.901 28.959 1.00 11.68 ? 302 ILE A CA 1 ATOM 1718 C C . ILE A 1 222 ? -33.470 -22.919 29.898 1.00 12.72 ? 302 ILE A C 1 ATOM 1719 O O . ILE A 1 222 ? -34.038 -23.985 30.145 1.00 15.71 ? 302 ILE A O 1 ATOM 1720 C CB . ILE A 1 222 ? -35.288 -21.239 29.667 1.00 14.34 ? 302 ILE A CB 1 ATOM 1721 C CG1 . ILE A 1 222 ? -35.928 -20.192 28.753 1.00 17.99 ? 302 ILE A CG1 1 ATOM 1722 C CG2 . ILE A 1 222 ? -34.849 -20.611 30.982 1.00 17.50 ? 302 ILE A CG2 1 ATOM 1723 C CD1 . ILE A 1 222 ? -35.015 -19.049 28.418 1.00 20.07 ? 302 ILE A CD1 1 ATOM 1724 N N . LEU A 1 223 ? -32.295 -22.588 30.414 1.00 11.65 ? 303 LEU A N 1 ATOM 1725 C CA . LEU A 1 223 ? -31.606 -23.441 31.370 1.00 12.40 ? 303 LEU A CA 1 ATOM 1726 C C . LEU A 1 223 ? -31.225 -22.599 32.573 1.00 11.54 ? 303 LEU A C 1 ATOM 1727 O O . LEU A 1 223 ? -30.554 -21.581 32.431 1.00 12.65 ? 303 LEU A O 1 ATOM 1728 C CB . LEU A 1 223 ? -30.354 -24.050 30.734 1.00 12.65 ? 303 LEU A CB 1 ATOM 1729 C CG . LEU A 1 223 ? -29.390 -24.811 31.646 1.00 12.03 ? 303 LEU A CG 1 ATOM 1730 C CD1 . LEU A 1 223 ? -30.046 -26.056 32.218 1.00 12.98 ? 303 LEU A CD1 1 ATOM 1731 C CD2 . LEU A 1 223 ? -28.123 -25.173 30.889 1.00 14.13 ? 303 LEU A CD2 1 ATOM 1732 N N . ILE A 1 224 ? -31.672 -23.013 33.753 1.00 11.26 ? 304 ILE A N 1 ATOM 1733 C CA . ILE A 1 224 ? -31.364 -22.298 34.983 1.00 11.26 ? 304 ILE A CA 1 ATOM 1734 C C . ILE A 1 224 ? -30.681 -23.257 35.945 1.00 11.97 ? 304 ILE A C 1 ATOM 1735 O O . ILE A 1 224 ? -31.172 -24.361 36.175 1.00 13.95 ? 304 ILE A O 1 ATOM 1736 C CB . ILE A 1 224 ? -32.642 -21.755 35.645 1.00 13.19 ? 304 ILE A CB 1 ATOM 1737 C CG1 . ILE A 1 224 ? -33.426 -20.891 34.654 1.00 14.97 ? 304 ILE A CG1 1 ATOM 1738 C CG2 . ILE A 1 224 ? -32.300 -20.970 36.900 1.00 13.56 ? 304 ILE A CG2 1 ATOM 1739 C CD1 . ILE A 1 224 ? -34.814 -20.524 35.131 1.00 18.74 ? 304 ILE A CD1 1 ATOM 1740 N N . PHE A 1 225 ? -29.545 -22.857 36.504 1.00 11.91 ? 305 PHE A N 1 ATOM 1741 C CA . PHE A 1 225 ? -28.861 -23.736 37.447 1.00 12.19 ? 305 PHE A CA 1 ATOM 1742 C C . PHE A 1 225 ? -28.242 -22.990 38.625 1.00 12.99 ? 305 PHE A C 1 ATOM 1743 O O . PHE A 1 225 ? -28.091 -21.769 38.592 1.00 14.00 ? 305 PHE A O 1 ATOM 1744 C CB . PHE A 1 225 ? -27.836 -24.641 36.740 1.00 12.08 ? 305 PHE A CB 1 ATOM 1745 C CG . PHE A 1 225 ? -26.735 -23.897 36.027 1.00 12.06 ? 305 PHE A CG 1 ATOM 1746 C CD1 . PHE A 1 225 ? -25.560 -23.571 36.687 1.00 14.04 ? 305 PHE A CD1 1 ATOM 1747 C CD2 . PHE A 1 225 ? -26.863 -23.550 34.688 1.00 12.28 ? 305 PHE A CD2 1 ATOM 1748 C CE1 . PHE A 1 225 ? -24.539 -22.898 36.031 1.00 13.97 ? 305 PHE A CE1 1 ATOM 1749 C CE2 . PHE A 1 225 ? -25.843 -22.877 34.027 1.00 12.67 ? 305 PHE A CE2 1 ATOM 1750 C CZ . PHE A 1 225 ? -24.681 -22.552 34.700 1.00 13.47 ? 305 PHE A CZ 1 ATOM 1751 N N . ASP A 1 226 ? -27.906 -23.735 39.674 1.00 13.15 ? 306 ASP A N 1 ATOM 1752 C CA . ASP A 1 226 ? -27.326 -23.145 40.876 1.00 14.47 ? 306 ASP A CA 1 ATOM 1753 C C . ASP A 1 226 ? -25.912 -23.659 41.137 1.00 14.16 ? 306 ASP A C 1 ATOM 1754 O O . ASP A 1 226 ? -25.345 -24.384 40.319 1.00 13.87 ? 306 ASP A O 1 ATOM 1755 C CB . ASP A 1 226 ? -28.240 -23.369 42.089 1.00 15.52 ? 306 ASP A CB 1 ATOM 1756 C CG . ASP A 1 226 ? -28.473 -24.839 42.394 1.00 17.00 ? 306 ASP A CG 1 ATOM 1757 O OD1 . ASP A 1 226 ? -27.603 -25.674 42.070 1.00 16.22 ? 306 ASP A OD1 1 ATOM 1758 O OD2 . ASP A 1 226 ? -29.531 -25.160 42.976 1.00 20.12 ? 306 ASP A OD2 1 ATOM 1759 N N . GLU A 1 227 ? -25.346 -23.279 42.278 1.00 14.37 ? 308 GLU A N 1 ATOM 1760 C CA . GLU A 1 227 ? -23.955 -23.595 42.587 1.00 15.26 ? 308 GLU A CA 1 ATOM 1761 C C . GLU A 1 227 ? -23.681 -25.096 42.671 1.00 15.13 ? 308 GLU A C 1 ATOM 1762 O O . GLU A 1 227 ? -22.544 -25.525 42.499 1.00 16.39 ? 308 GLU A O 1 ATOM 1763 C CB . GLU A 1 227 ? -23.533 -22.915 43.889 1.00 17.57 ? 308 GLU A CB 1 ATOM 1764 C CG . GLU A 1 227 ? -24.297 -23.420 45.103 1.00 21.40 ? 308 GLU A CG 1 ATOM 1765 C CD . GLU A 1 227 ? -23.945 -22.678 46.374 1.00 25.91 ? 308 GLU A CD 1 ATOM 1766 O OE1 . GLU A 1 227 ? -24.848 -22.502 47.215 1.00 28.43 ? 308 GLU A OE1 1 ATOM 1767 O OE2 . GLU A 1 227 ? -22.776 -22.266 46.532 1.00 28.57 ? 308 GLU A OE2 1 ATOM 1768 N N . ASP A 1 228 ? -24.719 -25.885 42.945 1.00 14.80 ? 309 ASP A N 1 ATOM 1769 C CA . ASP A 1 228 ? -24.598 -27.343 43.010 1.00 16.23 ? 309 ASP A CA 1 ATOM 1770 C C . ASP A 1 228 ? -24.727 -27.980 41.636 1.00 15.45 ? 309 ASP A C 1 ATOM 1771 O O . ASP A 1 228 ? -24.578 -29.196 41.489 1.00 15.95 ? 309 ASP A O 1 ATOM 1772 C CB . ASP A 1 228 ? -25.685 -27.931 43.910 1.00 17.74 ? 309 ASP A CB 1 ATOM 1773 C CG . ASP A 1 228 ? -25.343 -27.840 45.375 1.00 19.98 ? 309 ASP A CG 1 ATOM 1774 O OD1 . ASP A 1 228 ? -24.139 -27.779 45.706 1.00 20.84 ? 309 ASP A OD1 1 ATOM 1775 O OD2 . ASP A 1 228 ? -26.284 -27.845 46.196 1.00 21.99 ? 309 ASP A OD2 1 ATOM 1776 N N . LEU A 1 229 ? -25.015 -27.149 40.640 1.00 13.88 ? 310 LEU A N 1 ATOM 1777 C CA . LEU A 1 229 ? -25.325 -27.606 39.289 1.00 14.56 ? 310 LEU A CA 1 ATOM 1778 C C . LEU A 1 229 ? -26.658 -28.355 39.219 1.00 15.61 ? 310 LEU A C 1 ATOM 1779 O O . LEU A 1 229 ? -26.917 -29.085 38.262 1.00 16.76 ? 310 LEU A O 1 ATOM 1780 C CB . LEU A 1 229 ? -24.182 -28.435 38.693 1.00 13.57 ? 310 LEU A CB 1 ATOM 1781 C CG . LEU A 1 229 ? -22.827 -27.727 38.668 1.00 14.50 ? 310 LEU A CG 1 ATOM 1782 C CD1 . LEU A 1 229 ? -21.810 -28.538 37.881 1.00 14.24 ? 310 LEU A CD1 1 ATOM 1783 C CD2 . LEU A 1 229 ? -22.966 -26.325 38.085 1.00 14.91 ? 310 LEU A CD2 1 ATOM 1784 N N . ASP A 1 230 ? -27.498 -28.175 40.237 1.00 15.10 ? 311 ASP A N 1 ATOM 1785 C CA . ASP A 1 230 ? -28.901 -28.554 40.128 1.00 15.71 ? 311 ASP A CA 1 ATOM 1786 C C . ASP A 1 230 ? -29.507 -27.615 39.097 1.00 14.24 ? 311 ASP A C 1 ATOM 1787 O O . ASP A 1 230 ? -29.131 -26.445 39.032 1.00 15.98 ? 311 ASP A O 1 ATOM 1788 C CB . ASP A 1 230 ? -29.622 -28.391 41.466 1.00 19.59 ? 311 ASP A CB 1 ATOM 1789 C CG . ASP A 1 230 ? -29.469 -29.600 42.369 1.00 23.78 ? 311 ASP A CG 1 ATOM 1790 O OD1 . ASP A 1 230 ? -28.956 -30.641 41.907 1.00 25.47 ? 311 ASP A OD1 1 ATOM 1791 O OD2 . ASP A 1 230 ? -29.876 -29.509 43.546 1.00 25.36 ? 311 ASP A OD2 1 ATOM 1792 N N . TYR A 1 231 ? -30.434 -28.110 38.286 1.00 13.39 ? 312 TYR A N 1 ATOM 1793 C CA . TYR A 1 231 ? -30.924 -27.310 37.167 1.00 13.62 ? 312 TYR A CA 1 ATOM 1794 C C . TYR A 1 231 ? -32.411 -27.481 36.869 1.00 14.65 ? 312 TYR A C 1 ATOM 1795 O O . TYR A 1 231 ? -33.049 -28.450 37.296 1.00 15.19 ? 312 TYR A O 1 ATOM 1796 C CB . TYR A 1 231 ? -30.115 -27.627 35.903 1.00 13.59 ? 312 TYR A CB 1 ATOM 1797 C CG . TYR A 1 231 ? -30.313 -29.045 35.429 1.00 15.07 ? 312 TYR A CG 1 ATOM 1798 C CD1 . TYR A 1 231 ? -31.363 -29.374 34.577 1.00 15.31 ? 312 TYR A CD1 1 ATOM 1799 C CD2 . TYR A 1 231 ? -29.470 -30.061 35.854 1.00 14.28 ? 312 TYR A CD2 1 ATOM 1800 C CE1 . TYR A 1 231 ? -31.558 -30.676 34.153 1.00 15.02 ? 312 TYR A CE1 1 ATOM 1801 C CE2 . TYR A 1 231 ? -29.657 -31.367 35.436 1.00 14.84 ? 312 TYR A CE2 1 ATOM 1802 C CZ . TYR A 1 231 ? -30.703 -31.668 34.587 1.00 14.99 ? 312 TYR A CZ 1 ATOM 1803 O OH . TYR A 1 231 ? -30.894 -32.964 34.172 1.00 16.53 ? 312 TYR A OH 1 ATOM 1804 N N . GLU A 1 232 ? -32.949 -26.504 36.145 1.00 15.49 ? 313 GLU A N 1 ATOM 1805 C CA . GLU A 1 232 ? -34.256 -26.599 35.514 1.00 16.67 ? 313 GLU A CA 1 ATOM 1806 C C . GLU A 1 232 ? -34.034 -26.326 34.032 1.00 15.11 ? 313 GLU A C 1 ATOM 1807 O O . GLU A 1 232 ? -33.293 -25.409 33.669 1.00 15.22 ? 313 GLU A O 1 ATOM 1808 C CB . GLU A 1 232 ? -35.215 -25.551 36.077 1.00 20.97 ? 313 GLU A CB 1 ATOM 1809 C CG . GLU A 1 232 ? -35.393 -25.583 37.582 1.00 27.91 ? 313 GLU A CG 1 ATOM 1810 C CD . GLU A 1 232 ? -36.292 -24.463 38.079 1.00 33.15 ? 313 GLU A CD 1 ATOM 1811 O OE1 . GLU A 1 232 ? -37.405 -24.300 37.533 1.00 35.22 ? 313 GLU A OE1 1 ATOM 1812 O OE2 . GLU A 1 232 ? -35.887 -23.744 39.015 1.00 36.71 ? 313 GLU A OE2 1 ATOM 1813 N N . VAL A 1 233 ? -34.659 -27.120 33.174 1.00 14.75 ? 314 VAL A N 1 ATOM 1814 C CA . VAL A 1 233 ? -34.512 -26.926 31.738 1.00 13.53 ? 314 VAL A CA 1 ATOM 1815 C C . VAL A 1 233 ? -35.870 -27.001 31.045 1.00 13.83 ? 314 VAL A C 1 ATOM 1816 O O . VAL A 1 233 ? -36.754 -27.753 31.466 1.00 15.48 ? 314 VAL A O 1 ATOM 1817 C CB . VAL A 1 233 ? -33.503 -27.933 31.121 1.00 13.71 ? 314 VAL A CB 1 ATOM 1818 C CG1 . VAL A 1 233 ? -34.055 -29.353 31.151 1.00 15.06 ? 314 VAL A CG1 1 ATOM 1819 C CG2 . VAL A 1 233 ? -33.132 -27.523 29.703 1.00 15.13 ? 314 VAL A CG2 1 ATOM 1820 N N . GLY A 1 234 ? -36.031 -26.197 29.999 1.00 13.57 ? 315 GLY A N 1 ATOM 1821 C CA . GLY A 1 234 ? -37.292 -26.097 29.285 1.00 12.52 ? 315 GLY A CA 1 ATOM 1822 C C . GLY A 1 234 ? -37.175 -25.089 28.161 1.00 12.86 ? 315 GLY A C 1 ATOM 1823 O O . GLY A 1 234 ? -36.093 -24.900 27.614 1.00 11.95 ? 315 GLY A O 1 ATOM 1824 N N . TYR A 1 235 ? -38.285 -24.439 27.822 1.00 12.37 ? 316 TYR A N 1 ATOM 1825 C CA . TYR A 1 235 ? -38.298 -23.438 26.760 1.00 12.26 ? 316 TYR A CA 1 ATOM 1826 C C . TYR A 1 235 ? -38.891 -22.126 27.246 1.00 12.44 ? 316 TYR A C 1 ATOM 1827 O O . TYR A 1 235 ? -39.690 -22.107 28.182 1.00 12.98 ? 316 TYR A O 1 ATOM 1828 C CB . TYR A 1 235 ? -39.064 -23.959 25.536 1.00 12.36 ? 316 TYR A CB 1 ATOM 1829 C CG . TYR A 1 235 ? -38.248 -24.955 24.758 1.00 12.13 ? 316 TYR A CG 1 ATOM 1830 C CD1 . TYR A 1 235 ? -38.206 -26.292 25.136 1.00 12.27 ? 316 TYR A CD1 1 ATOM 1831 C CD2 . TYR A 1 235 ? -37.475 -24.553 23.676 1.00 12.03 ? 316 TYR A CD2 1 ATOM 1832 C CE1 . TYR A 1 235 ? -37.436 -27.205 24.445 1.00 13.04 ? 316 TYR A CE1 1 ATOM 1833 C CE2 . TYR A 1 235 ? -36.701 -25.460 22.975 1.00 12.64 ? 316 TYR A CE2 1 ATOM 1834 C CZ . TYR A 1 235 ? -36.685 -26.784 23.367 1.00 13.71 ? 316 TYR A CZ 1 ATOM 1835 O OH . TYR A 1 235 ? -35.913 -27.691 22.684 1.00 15.54 ? 316 TYR A OH 1 ATOM 1836 N N . LEU A 1 236 ? -38.490 -21.028 26.617 1.00 12.30 ? 317 LEU A N 1 ATOM 1837 C CA . LEU A 1 236 ? -39.055 -19.732 26.955 1.00 13.67 ? 317 LEU A CA 1 ATOM 1838 C C . LEU A 1 236 ? -40.557 -19.801 26.722 1.00 14.89 ? 317 LEU A C 1 ATOM 1839 O O . LEU A 1 236 ? -41.005 -20.065 25.608 1.00 16.28 ? 317 LEU A O 1 ATOM 1840 C CB . LEU A 1 236 ? -38.420 -18.633 26.102 1.00 12.96 ? 317 LEU A CB 1 ATOM 1841 C CG . LEU A 1 236 ? -38.886 -17.211 26.402 1.00 14.26 ? 317 LEU A CG 1 ATOM 1842 C CD1 . LEU A 1 236 ? -38.589 -16.853 27.853 1.00 15.40 ? 317 LEU A CD1 1 ATOM 1843 C CD2 . LEU A 1 236 ? -38.219 -16.224 25.451 1.00 15.44 ? 317 LEU A CD2 1 ATOM 1844 N N . CYS A 1 237 ? -41.332 -19.576 27.779 1.00 14.58 ? 318 CYS A N 1 ATOM 1845 C CA . CYS A 1 237 ? -42.778 -19.785 27.734 1.00 16.78 ? 318 CYS A CA 1 ATOM 1846 C C . CYS A 1 237 ? -43.488 -18.928 26.696 1.00 15.89 ? 318 CYS A C 1 ATOM 1847 O O . CYS A 1 237 ? -44.477 -19.358 26.105 1.00 17.13 ? 318 CYS A O 1 ATOM 1848 C CB . CYS A 1 237 ? -43.400 -19.522 29.107 1.00 18.07 ? 318 CYS A CB 1 ATOM 1849 S SG . CYS A 1 237 ? -42.949 -20.722 30.369 1.00 23.29 ? 318 CYS A SG 1 ATOM 1850 N N . ALA A 1 238 ? -42.979 -17.718 26.486 1.00 15.42 ? 319 ALA A N 1 ATOM 1851 C CA . ALA A 1 238 ? -43.654 -16.716 25.663 1.00 15.08 ? 319 ALA A CA 1 ATOM 1852 C C . ALA A 1 238 ? -44.246 -17.262 24.364 1.00 15.24 ? 319 ALA A C 1 ATOM 1853 O O . ALA A 1 238 ? -43.612 -18.052 23.662 1.00 15.73 ? 319 ALA A O 1 ATOM 1854 C CB . ALA A 1 238 ? -42.707 -15.557 25.364 1.00 14.79 ? 319 ALA A CB 1 ATOM 1855 N N . GLY A 1 239 ? -45.464 -16.824 24.054 1.00 15.67 ? 320 GLY A N 1 ATOM 1856 C CA . GLY A 1 239 ? -46.112 -17.145 22.795 1.00 16.71 ? 320 GLY A CA 1 ATOM 1857 C C . GLY A 1 239 ? -45.592 -16.286 21.657 1.00 16.05 ? 320 GLY A C 1 ATOM 1858 O O . GLY A 1 239 ? -46.280 -16.064 20.660 1.00 17.46 ? 320 GLY A O 1 ATOM 1859 N N . ILE A 1 240 ? -44.369 -15.797 21.822 1.00 15.65 ? 321 ILE A N 1 ATOM 1860 C CA . ILE A 1 240 ? -43.667 -15.036 20.798 1.00 16.26 ? 321 ILE A CA 1 ATOM 1861 C C . ILE A 1 240 ? -42.350 -15.758 20.531 1.00 14.80 ? 321 ILE A C 1 ATOM 1862 O O . ILE A 1 240 ? -41.516 -15.866 21.426 1.00 15.71 ? 321 ILE A O 1 ATOM 1863 C CB . ILE A 1 240 ? -43.357 -13.603 21.286 1.00 16.77 ? 321 ILE A CB 1 ATOM 1864 C CG1 . ILE A 1 240 ? -44.643 -12.879 21.706 1.00 17.96 ? 321 ILE A CG1 1 ATOM 1865 C CG2 . ILE A 1 240 ? -42.609 -12.816 20.213 1.00 18.41 ? 321 ILE A CG2 1 ATOM 1866 C CD1 . ILE A 1 240 ? -45.604 -12.618 20.567 1.00 17.69 ? 321 ILE A CD1 1 ATOM 1867 N N . PRO A 1 241 ? -42.163 -16.275 19.306 1.00 13.11 ? 322 PRO A N 1 ATOM 1868 C CA . PRO A 1 241 ? -40.926 -17.009 19.013 1.00 12.58 ? 322 PRO A CA 1 ATOM 1869 C C . PRO A 1 241 ? -39.772 -16.040 18.783 1.00 12.47 ? 322 PRO A C 1 ATOM 1870 O O . PRO A 1 241 ? -39.990 -14.974 18.209 1.00 13.95 ? 322 PRO A O 1 ATOM 1871 C CB . PRO A 1 241 ? -41.258 -17.764 17.720 1.00 13.70 ? 322 PRO A CB 1 ATOM 1872 C CG . PRO A 1 241 ? -42.435 -17.052 17.117 1.00 14.30 ? 322 PRO A CG 1 ATOM 1873 C CD . PRO A 1 241 ? -42.989 -16.063 18.108 1.00 14.32 ? 322 PRO A CD 1 ATOM 1874 N N . THR A 1 242 ? -38.568 -16.385 19.227 1.00 12.47 ? 323 THR A N 1 ATOM 1875 C CA . THR A 1 242 ? -37.456 -15.440 19.117 1.00 11.99 ? 323 THR A CA 1 ATOM 1876 C C . THR A 1 242 ? -36.191 -15.990 18.458 1.00 12.85 ? 323 THR A C 1 ATOM 1877 O O . THR A 1 242 ? -35.177 -15.297 18.396 1.00 12.71 ? 323 THR A O 1 ATOM 1878 C CB . THR A 1 242 ? -37.099 -14.800 20.480 1.00 12.15 ? 323 THR A CB 1 ATOM 1879 O OG1 . THR A 1 242 ? -36.561 -15.792 21.362 1.00 12.92 ? 323 THR A OG1 1 ATOM 1880 C CG2 . THR A 1 242 ? -38.328 -14.163 21.114 1.00 11.83 ? 323 THR A CG2 1 ATOM 1881 N N . ASP A 1 243 ? -36.249 -17.222 17.958 1.00 12.59 ? 324 ASP A N 1 ATOM 1882 C CA . ASP A 1 243 ? -35.144 -17.762 17.169 1.00 11.80 ? 324 ASP A CA 1 ATOM 1883 C C . ASP A 1 243 ? -35.290 -17.273 15.729 1.00 11.31 ? 324 ASP A C 1 ATOM 1884 O O . ASP A 1 243 ? -36.292 -16.650 15.374 1.00 12.40 ? 324 ASP A O 1 ATOM 1885 C CB . ASP A 1 243 ? -35.164 -19.293 17.211 1.00 12.61 ? 324 ASP A CB 1 ATOM 1886 C CG . ASP A 1 243 ? -33.841 -19.924 16.800 1.00 12.51 ? 324 ASP A CG 1 ATOM 1887 O OD1 . ASP A 1 243 ? -32.847 -19.212 16.549 1.00 12.59 ? 324 ASP A OD1 1 ATOM 1888 O OD2 . ASP A 1 243 ? -33.795 -21.165 16.746 1.00 12.38 ? 324 ASP A OD2 1 ATOM 1889 N N . THR A 1 244 ? -34.280 -17.545 14.910 1.00 11.61 ? 325 THR A N 1 ATOM 1890 C CA . THR A 1 244 ? -34.370 -17.344 13.471 1.00 12.18 ? 325 THR A CA 1 ATOM 1891 C C . THR A 1 244 ? -33.708 -18.540 12.806 1.00 12.26 ? 325 THR A C 1 ATOM 1892 O O . THR A 1 244 ? -32.553 -18.835 13.091 1.00 12.97 ? 325 THR A O 1 ATOM 1893 C CB . THR A 1 244 ? -33.635 -16.068 13.031 1.00 11.57 ? 325 THR A CB 1 ATOM 1894 O OG1 . THR A 1 244 ? -34.127 -14.948 13.777 1.00 13.24 ? 325 THR A OG1 1 ATOM 1895 C CG2 . THR A 1 244 ? -33.837 -15.818 11.540 1.00 12.37 ? 325 THR A CG2 1 ATOM 1896 N N . PRO A 1 245 ? -34.424 -19.227 11.901 1.00 12.61 ? 326 PRO A N 1 ATOM 1897 C CA . PRO A 1 245 ? -35.753 -18.896 11.369 1.00 12.31 ? 326 PRO A CA 1 ATOM 1898 C C . PRO A 1 245 ? -36.914 -19.195 12.314 1.00 12.88 ? 326 PRO A C 1 ATOM 1899 O O . PRO A 1 245 ? -36.809 -20.025 13.218 1.00 12.37 ? 326 PRO A O 1 ATOM 1900 C CB . PRO A 1 245 ? -35.856 -19.792 10.133 1.00 13.70 ? 326 PRO A CB 1 ATOM 1901 C CG . PRO A 1 245 ? -35.027 -20.984 10.483 1.00 14.73 ? 326 PRO A CG 1 ATOM 1902 C CD . PRO A 1 245 ? -33.865 -20.436 11.269 1.00 14.47 ? 326 PRO A CD 1 ATOM 1903 N N . ARG A 1 246 ? -38.029 -18.514 12.072 1.00 12.30 ? 327 ARG A N 1 ATOM 1904 C CA . ARG A 1 246 ? -39.257 -18.711 12.829 1.00 11.41 ? 327 ARG A CA 1 ATOM 1905 C C . ARG A 1 246 ? -40.440 -18.356 11.935 1.00 13.45 ? 327 ARG A C 1 ATOM 1906 O O . ARG A 1 246 ? -40.259 -17.945 10.785 1.00 14.51 ? 327 ARG A O 1 ATOM 1907 C CB . ARG A 1 246 ? -39.263 -17.821 14.073 1.00 12.43 ? 327 ARG A CB 1 ATOM 1908 C CG . ARG A 1 246 ? -39.232 -16.334 13.753 1.00 12.53 ? 327 ARG A CG 1 ATOM 1909 C CD . ARG A 1 246 ? -39.229 -15.472 15.008 1.00 12.39 ? 327 ARG A CD 1 ATOM 1910 N NE . ARG A 1 246 ? -39.340 -14.060 14.657 1.00 12.84 ? 327 ARG A NE 1 ATOM 1911 C CZ . ARG A 1 246 ? -38.306 -13.264 14.399 1.00 13.08 ? 327 ARG A CZ 1 ATOM 1912 N NH1 . ARG A 1 246 ? -37.064 -13.726 14.477 1.00 12.84 ? 327 ARG A NH1 1 ATOM 1913 N NH2 . ARG A 1 246 ? -38.515 -11.996 14.072 1.00 14.88 ? 327 ARG A NH2 1 ATOM 1914 N N . VAL A 1 247 ? -41.648 -18.518 12.459 1.00 13.78 ? 328 VAL A N 1 ATOM 1915 C CA . VAL A 1 247 ? -42.845 -18.083 11.749 1.00 14.44 ? 328 VAL A CA 1 ATOM 1916 C C . VAL A 1 247 ? -43.317 -16.766 12.347 1.00 14.87 ? 328 VAL A C 1 ATOM 1917 O O . VAL A 1 247 ? -42.813 -16.342 13.390 1.00 16.03 ? 328 VAL A O 1 ATOM 1918 C CB . VAL A 1 247 ? -43.976 -19.126 11.844 1.00 14.62 ? 328 VAL A CB 1 ATOM 1919 C CG1 . VAL A 1 247 ? -43.528 -20.451 11.231 1.00 17.62 ? 328 VAL A CG1 1 ATOM 1920 C CG2 . VAL A 1 247 ? -44.408 -19.315 13.291 1.00 15.62 ? 328 VAL A CG2 1 ATOM 1921 N N . GLN A 1 248 ? -44.268 -16.116 11.681 1.00 16.31 ? 329 GLN A N 1 ATOM 1922 C CA . GLN A 1 248 ? -44.866 -14.896 12.205 1.00 17.89 ? 329 GLN A CA 1 ATOM 1923 C C . GLN A 1 248 ? -45.530 -15.195 13.544 1.00 17.92 ? 329 GLN A C 1 ATOM 1924 O O . GLN A 1 248 ? -46.015 -16.306 13.771 1.00 19.34 ? 329 GLN A O 1 ATOM 1925 C CB . GLN A 1 248 ? -45.902 -14.331 11.226 1.00 21.48 ? 329 GLN A CB 1 ATOM 1926 C CG . GLN A 1 248 ? -45.354 -13.981 9.846 1.00 26.48 ? 329 GLN A CG 1 ATOM 1927 C CD . GLN A 1 248 ? -44.486 -12.732 9.841 1.00 30.28 ? 329 GLN A CD 1 ATOM 1928 O OE1 . GLN A 1 248 ? -44.356 -12.043 10.855 1.00 32.27 ? 329 GLN A OE1 1 ATOM 1929 N NE2 . GLN A 1 248 ? -43.889 -12.433 8.690 1.00 30.96 ? 329 GLN A NE2 1 ATOM 1930 N N . ASP A 1 249 ? -45.554 -14.201 14.425 1.00 17.30 ? 330 ASP A N 1 ATOM 1931 C CA . ASP A 1 249 ? -46.104 -14.373 15.766 1.00 17.90 ? 330 ASP A CA 1 ATOM 1932 C C . ASP A 1 249 ? -47.493 -15.012 15.775 1.00 18.37 ? 330 ASP A C 1 ATOM 1933 O O . ASP A 1 249 ? -47.768 -15.895 16.584 1.00 18.73 ? 330 ASP A O 1 ATOM 1934 C CB . ASP A 1 249 ? -46.139 -13.032 16.502 1.00 18.13 ? 330 ASP A CB 1 ATOM 1935 C CG . ASP A 1 249 ? -44.755 -12.490 16.788 1.00 18.35 ? 330 ASP A CG 1 ATOM 1936 O OD1 . ASP A 1 249 ? -43.776 -13.258 16.675 1.00 17.90 ? 330 ASP A OD1 1 ATOM 1937 O OD2 . ASP A 1 249 ? -44.644 -11.298 17.133 1.00 18.82 ? 330 ASP A OD2 1 ATOM 1938 N N . SER A 1 250 ? -48.362 -14.569 14.871 1.00 19.00 ? 331 SER A N 1 ATOM 1939 C CA . SER A 1 250 ? -49.749 -15.032 14.858 1.00 21.26 ? 331 SER A CA 1 ATOM 1940 C C . SER A 1 250 ? -49.885 -16.512 14.501 1.00 21.98 ? 331 SER A C 1 ATOM 1941 O O . SER A 1 250 ? -50.939 -17.113 14.713 1.00 23.52 ? 331 SER A O 1 ATOM 1942 C CB . SER A 1 250 ? -50.594 -14.183 13.902 1.00 23.50 ? 331 SER A CB 1 ATOM 1943 O OG . SER A 1 250 ? -50.161 -14.337 12.563 1.00 25.71 ? 331 SER A OG 1 ATOM 1944 N N . SER A 1 251 ? -48.819 -17.093 13.959 1.00 20.69 ? 332 SER A N 1 ATOM 1945 C CA . SER A 1 251 ? -48.824 -18.500 13.567 1.00 19.67 ? 332 SER A CA 1 ATOM 1946 C C . SER A 1 251 ? -48.141 -19.384 14.605 1.00 19.36 ? 332 SER A C 1 ATOM 1947 O O . SER A 1 251 ? -47.932 -20.578 14.375 1.00 20.48 ? 332 SER A O 1 ATOM 1948 C CB . SER A 1 251 ? -48.137 -18.681 12.213 1.00 21.09 ? 332 SER A CB 1 ATOM 1949 O OG . SER A 1 251 ? -48.899 -18.098 11.172 1.00 22.38 ? 332 SER A OG 1 ATOM 1950 N N . PHE A 1 252 ? -47.804 -18.796 15.747 1.00 17.90 ? 333 PHE A N 1 ATOM 1951 C CA . PHE A 1 252 ? -47.032 -19.488 16.769 1.00 17.67 ? 333 PHE A CA 1 ATOM 1952 C C . PHE A 1 252 ? -47.816 -19.628 18.068 1.00 19.12 ? 333 PHE A C 1 ATOM 1953 O O . PHE A 1 252 ? -48.489 -18.695 18.509 1.00 20.43 ? 333 PHE A O 1 ATOM 1954 C CB . PHE A 1 252 ? -45.718 -18.738 17.019 1.00 17.35 ? 333 PHE A CB 1 ATOM 1955 C CG . PHE A 1 252 ? -44.845 -19.356 18.079 1.00 17.58 ? 333 PHE A CG 1 ATOM 1956 C CD1 . PHE A 1 252 ? -43.986 -20.396 17.767 1.00 17.54 ? 333 PHE A CD1 1 ATOM 1957 C CD2 . PHE A 1 252 ? -44.863 -18.873 19.379 1.00 16.97 ? 333 PHE A CD2 1 ATOM 1958 C CE1 . PHE A 1 252 ? -43.168 -20.956 18.736 1.00 17.90 ? 333 PHE A CE1 1 ATOM 1959 C CE2 . PHE A 1 252 ? -44.053 -19.430 20.355 1.00 17.70 ? 333 PHE A CE2 1 ATOM 1960 C CZ . PHE A 1 252 ? -43.203 -20.474 20.033 1.00 18.06 ? 333 PHE A CZ 1 ATOM 1961 N N . THR A 1 253 ? -47.732 -20.809 18.668 1.00 19.09 ? 334 THR A N 1 ATOM 1962 C CA . THR A 1 253 ? -48.292 -21.045 19.989 1.00 19.41 ? 334 THR A CA 1 ATOM 1963 C C . THR A 1 253 ? -47.164 -21.480 20.908 1.00 19.05 ? 334 THR A C 1 ATOM 1964 O O . THR A 1 253 ? -46.452 -22.442 20.615 1.00 20.32 ? 334 THR A O 1 ATOM 1965 C CB . THR A 1 253 ? -49.370 -22.134 19.960 1.00 21.60 ? 334 THR A CB 1 ATOM 1966 O OG1 . THR A 1 253 ? -50.423 -21.734 19.076 1.00 23.64 ? 334 THR A OG1 1 ATOM 1967 C CG2 . THR A 1 253 ? -49.935 -22.357 21.357 1.00 21.61 ? 334 THR A CG2 1 ATOM 1968 N N . GLY A 1 254 ? -46.997 -20.768 22.017 1.00 18.10 ? 335 GLY A N 1 ATOM 1969 C CA . GLY A 1 254 ? -45.868 -21.002 22.897 1.00 18.10 ? 335 GLY A CA 1 ATOM 1970 C C . GLY A 1 254 ? -45.938 -22.295 23.686 1.00 17.94 ? 335 GLY A C 1 ATOM 1971 O O . GLY A 1 254 ? -46.978 -22.957 23.736 1.00 19.23 ? 335 GLY A O 1 ATOM 1972 N N . SER A 1 255 ? -44.811 -22.650 24.297 1.00 17.57 ? 336 SER A N 1 ATOM 1973 C CA . SER A 1 255 ? -44.727 -23.779 25.219 1.00 16.22 ? 336 SER A CA 1 ATOM 1974 C C . SER A 1 255 ? -43.567 -23.582 26.184 1.00 17.64 ? 336 SER A C 1 ATOM 1975 O O . SER A 1 255 ? -42.473 -23.178 25.775 1.00 18.34 ? 336 SER A O 1 ATOM 1976 C CB . SER A 1 255 ? -44.545 -25.101 24.468 1.00 16.62 ? 336 SER A CB 1 ATOM 1977 O OG . SER A 1 255 ? -44.359 -26.175 25.381 1.00 17.72 ? 336 SER A OG 1 ATOM 1978 N N . CYS A 1 256 ? -43.810 -23.876 27.459 1.00 18.00 ? 337 CYS A N 1 ATOM 1979 C CA . CYS A 1 256 ? -42.783 -23.800 28.493 1.00 19.82 ? 337 CYS A CA 1 ATOM 1980 C C . CYS A 1 256 ? -41.920 -25.053 28.506 1.00 19.64 ? 337 CYS A C 1 ATOM 1981 O O . CYS A 1 256 ? -40.822 -25.054 29.059 1.00 19.57 ? 337 CYS A O 1 ATOM 1982 C CB . CYS A 1 256 ? -43.425 -23.650 29.876 1.00 23.11 ? 337 CYS A CB 1 ATOM 1983 S SG . CYS A 1 256 ? -44.389 -22.144 30.146 1.00 27.20 ? 337 CYS A SG 1 ATOM 1984 N N . THR A 1 257 ? -42.424 -26.124 27.904 1.00 19.93 ? 338 THR A N 1 ATOM 1985 C CA . THR A 1 257 ? -41.820 -27.439 28.087 1.00 19.12 ? 338 THR A CA 1 ATOM 1986 C C . THR A 1 257 ? -41.298 -28.074 26.805 1.00 19.27 ? 338 THR A C 1 ATOM 1987 O O . THR A 1 257 ? -40.339 -28.845 26.837 1.00 20.43 ? 338 THR A O 1 ATOM 1988 C CB . THR A 1 257 ? -42.821 -28.414 28.730 1.00 19.45 ? 338 THR A CB 1 ATOM 1989 O OG1 . THR A 1 257 ? -44.021 -28.438 27.948 1.00 21.17 ? 338 THR A OG1 1 ATOM 1990 C CG2 . THR A 1 257 ? -43.159 -27.977 30.148 1.00 21.14 ? 338 THR A CG2 1 ATOM 1991 N N . ASN A 1 258 ? -41.931 -27.757 25.681 1.00 18.46 ? 339 ASN A N 1 ATOM 1992 C CA . ASN A 1 258 ? -41.626 -28.436 24.425 1.00 18.70 ? 339 ASN A CA 1 ATOM 1993 C C . ASN A 1 258 ? -41.086 -27.522 23.336 1.00 16.13 ? 339 ASN A C 1 ATOM 1994 O O . ASN A 1 258 ? -41.478 -26.359 23.234 1.00 17.34 ? 339 ASN A O 1 ATOM 1995 C CB . ASN A 1 258 ? -42.872 -29.149 23.896 1.00 24.23 ? 339 ASN A CB 1 ATOM 1996 C CG . ASN A 1 258 ? -43.311 -30.292 24.783 1.00 29.70 ? 339 ASN A CG 1 ATOM 1997 O OD1 . ASN A 1 258 ? -42.540 -31.214 25.055 1.00 32.67 ? 339 ASN A OD1 1 ATOM 1998 N ND2 . ASN A 1 258 ? -44.556 -30.244 25.236 1.00 32.93 ? 339 ASN A ND2 1 ATOM 1999 N N . ALA A 1 259 ? -40.188 -28.062 22.521 1.00 13.76 ? 340 ALA A N 1 ATOM 2000 C CA . ALA A 1 259 ? -39.749 -27.377 21.317 1.00 14.20 ? 340 ALA A CA 1 ATOM 2001 C C . ALA A 1 259 ? -40.931 -27.217 20.369 1.00 14.76 ? 340 ALA A C 1 ATOM 2002 O O . ALA A 1 259 ? -41.669 -28.170 20.113 1.00 17.77 ? 340 ALA A O 1 ATOM 2003 C CB . ALA A 1 259 ? -38.628 -28.155 20.644 1.00 15.37 ? 340 ALA A CB 1 ATOM 2004 N N . VAL A 1 260 ? -41.113 -26.004 19.862 1.00 13.81 ? 341 VAL A N 1 ATOM 2005 C CA . VAL A 1 260 ? -42.160 -25.723 18.892 1.00 14.35 ? 341 VAL A CA 1 ATOM 2006 C C . VAL A 1 260 ? -41.489 -25.324 17.588 1.00 13.83 ? 341 VAL A C 1 ATOM 2007 O O . VAL A 1 260 ? -40.734 -24.355 17.545 1.00 15.27 ? 341 VAL A O 1 ATOM 2008 C CB . VAL A 1 260 ? -43.082 -24.589 19.374 1.00 15.56 ? 341 VAL A CB 1 ATOM 2009 C CG1 . VAL A 1 260 ? -44.114 -24.245 18.305 1.00 16.32 ? 341 VAL A CG1 1 ATOM 2010 C CG2 . VAL A 1 260 ? -43.763 -24.985 20.672 1.00 16.74 ? 341 VAL A CG2 1 ATOM 2011 N N . GLY A 1 261 ? -41.753 -26.078 16.526 1.00 13.72 ? 342 GLY A N 1 ATOM 2012 C CA . GLY A 1 261 ? -41.049 -25.867 15.277 1.00 15.08 ? 342 GLY A CA 1 ATOM 2013 C C . GLY A 1 261 ? -41.875 -26.165 14.046 1.00 16.23 ? 342 GLY A C 1 ATOM 2014 O O . GLY A 1 261 ? -43.062 -25.846 13.992 1.00 17.81 ? 342 GLY A O 1 ATOM 2015 N N . GLY A 1 262 ? -41.238 -26.776 13.052 1.00 15.75 ? 343 GLY A N 1 ATOM 2016 C CA . GLY A 1 262 ? -41.890 -27.064 11.788 1.00 16.18 ? 343 GLY A CA 1 ATOM 2017 C C . GLY A 1 262 ? -41.998 -25.826 10.921 1.00 16.81 ? 343 GLY A C 1 ATOM 2018 O O . GLY A 1 262 ? -41.330 -24.821 11.173 1.00 17.12 ? 343 GLY A O 1 ATOM 2019 N N . SER A 1 263 ? -42.845 -25.897 9.899 1.00 17.84 ? 344 SER A N 1 ATOM 2020 C CA . SER A 1 263 ? -43.075 -24.767 9.006 1.00 19.63 ? 344 SER A CA 1 ATOM 2021 C C . SER A 1 263 ? -41.776 -24.204 8.440 1.00 18.91 ? 344 SER A C 1 ATOM 2022 O O . SER A 1 263 ? -41.632 -22.991 8.279 1.00 20.02 ? 344 SER A O 1 ATOM 2023 C CB . SER A 1 263 ? -43.868 -23.671 9.720 1.00 22.88 ? 344 SER A CB 1 ATOM 2024 O OG . SER A 1 263 ? -45.144 -24.150 10.108 1.00 23.72 ? 344 SER A OG 1 ATOM 2025 N N . GLY A 1 264 ? -40.834 -25.097 8.146 1.00 17.60 ? 345 GLY A N 1 ATOM 2026 C CA . GLY A 1 264 ? -39.578 -24.724 7.523 1.00 17.93 ? 345 GLY A CA 1 ATOM 2027 C C . GLY A 1 264 ? -38.552 -24.102 8.453 1.00 17.00 ? 345 GLY A C 1 ATOM 2028 O O . GLY A 1 264 ? -37.570 -23.520 7.988 1.00 17.73 ? 345 GLY A O 1 ATOM 2029 N N . THR A 1 265 ? -38.765 -24.220 9.760 1.00 15.56 ? 346 THR A N 1 ATOM 2030 C CA . THR A 1 265 ? -37.864 -23.602 10.729 1.00 14.12 ? 346 THR A CA 1 ATOM 2031 C C . THR A 1 265 ? -36.895 -24.587 11.383 1.00 13.49 ? 346 THR A C 1 ATOM 2032 O O . THR A 1 265 ? -35.968 -24.174 12.080 1.00 13.28 ? 346 THR A O 1 ATOM 2033 C CB . THR A 1 265 ? -38.637 -22.871 11.851 1.00 13.57 ? 346 THR A CB 1 ATOM 2034 O OG1 . THR A 1 265 ? -39.287 -23.828 12.699 1.00 15.41 ? 346 THR A OG1 1 ATOM 2035 C CG2 . THR A 1 265 ? -39.671 -21.915 11.266 1.00 14.97 ? 346 THR A CG2 1 ATOM 2036 N N . ASN A 1 266 A -37.108 -25.882 11.167 1.00 13.85 ? 346 ASN A N 1 ATOM 2037 C CA . ASN A 1 266 A -36.278 -26.900 11.808 1.00 12.80 ? 346 ASN A CA 1 ATOM 2038 C C . ASN A 1 266 A -34.830 -26.889 11.319 1.00 12.35 ? 346 ASN A C 1 ATOM 2039 O O . ASN A 1 266 A -34.543 -26.471 10.196 1.00 14.35 ? 346 ASN A O 1 ATOM 2040 C CB . ASN A 1 266 A -36.868 -28.300 11.600 1.00 13.39 ? 346 ASN A CB 1 ATOM 2041 C CG . ASN A 1 266 A -38.176 -28.515 12.351 1.00 15.34 ? 346 ASN A CG 1 ATOM 2042 O OD1 . ASN A 1 266 A -38.912 -29.463 12.071 1.00 19.48 ? 346 ASN A OD1 1 ATOM 2043 N ND2 . ASN A 1 266 A -38.466 -27.647 13.306 1.00 13.97 ? 346 ASN A ND2 1 ATOM 2044 N N . ASN A 1 267 B -33.926 -27.348 12.181 1.00 10.91 ? 346 ASN A N 1 ATOM 2045 C CA . ASN A 1 267 B -32.535 -27.612 11.813 1.00 11.31 ? 346 ASN A CA 1 ATOM 2046 C C . ASN A 1 267 B -31.656 -26.384 11.603 1.00 11.33 ? 346 ASN A C 1 ATOM 2047 O O . ASN A 1 267 B -30.581 -26.473 11.011 1.00 13.69 ? 346 ASN A O 1 ATOM 2048 C CB . ASN A 1 267 B -32.465 -28.543 10.601 1.00 13.15 ? 346 ASN A CB 1 ATOM 2049 C CG . ASN A 1 267 B -33.146 -29.862 10.860 1.00 14.59 ? 346 ASN A CG 1 ATOM 2050 O OD1 . ASN A 1 267 B -33.100 -30.382 11.974 1.00 16.83 ? 346 ASN A OD1 1 ATOM 2051 N ND2 . ASN A 1 267 B -33.800 -30.403 9.845 1.00 16.75 ? 346 ASN A ND2 1 ATOM 2052 N N . TYR A 1 268 ? -32.109 -25.237 12.088 1.00 12.08 ? 347 TYR A N 1 ATOM 2053 C CA . TYR A 1 268 ? -31.247 -24.064 12.110 1.00 12.55 ? 347 TYR A CA 1 ATOM 2054 C C . TYR A 1 268 ? -31.637 -23.162 13.262 1.00 11.54 ? 347 TYR A C 1 ATOM 2055 O O . TYR A 1 268 ? -32.497 -23.510 14.064 1.00 11.97 ? 347 TYR A O 1 ATOM 2056 C CB . TYR A 1 268 ? -31.295 -23.307 10.784 1.00 13.96 ? 347 TYR A CB 1 ATOM 2057 C CG . TYR A 1 268 ? -30.030 -22.523 10.482 1.00 15.80 ? 347 TYR A CG 1 ATOM 2058 C CD1 . TYR A 1 268 ? -28.782 -23.136 10.530 1.00 15.78 ? 347 TYR A CD1 1 ATOM 2059 C CD2 . TYR A 1 268 ? -30.084 -21.178 10.136 1.00 15.02 ? 347 TYR A CD2 1 ATOM 2060 C CE1 . TYR A 1 268 ? -27.624 -22.430 10.249 1.00 16.27 ? 347 TYR A CE1 1 ATOM 2061 C CE2 . TYR A 1 268 ? -28.930 -20.461 9.853 1.00 16.04 ? 347 TYR A CE2 1 ATOM 2062 C CZ . TYR A 1 268 ? -27.705 -21.093 9.910 1.00 17.63 ? 347 TYR A CZ 1 ATOM 2063 O OH . TYR A 1 268 ? -26.556 -20.387 9.630 1.00 20.12 ? 347 TYR A OH 1 ATOM 2064 N N . GLY A 1 269 ? -30.987 -22.011 13.349 1.00 11.39 ? 348 GLY A N 1 ATOM 2065 C CA . GLY A 1 269 ? -31.225 -21.091 14.439 1.00 10.85 ? 348 GLY A CA 1 ATOM 2066 C C . GLY A 1 269 ? -30.161 -20.020 14.420 1.00 9.93 ? 348 GLY A C 1 ATOM 2067 O O . GLY A 1 269 ? -29.346 -19.954 13.496 1.00 11.09 ? 348 GLY A O 1 ATOM 2068 N N . VAL A 1 270 ? -30.169 -19.173 15.440 1.00 9.32 ? 349 VAL A N 1 ATOM 2069 C CA . VAL A 1 270 ? -29.127 -18.173 15.601 1.00 10.02 ? 349 VAL A CA 1 ATOM 2070 C C . VAL A 1 270 ? -28.926 -17.970 17.092 1.00 10.06 ? 349 VAL A C 1 ATOM 2071 O O . VAL A 1 270 ? -29.869 -18.116 17.869 1.00 10.70 ? 349 VAL A O 1 ATOM 2072 C CB . VAL A 1 270 ? -29.501 -16.840 14.903 1.00 10.01 ? 349 VAL A CB 1 ATOM 2073 C CG1 . VAL A 1 270 ? -30.703 -16.185 15.578 1.00 10.22 ? 349 VAL A CG1 1 ATOM 2074 C CG2 . VAL A 1 270 ? -28.307 -15.886 14.869 1.00 11.47 ? 349 VAL A CG2 1 ATOM 2075 N N . LYS A 1 271 ? -27.699 -17.669 17.502 1.00 10.22 ? 350 LYS A N 1 ATOM 2076 C CA . LYS A 1 271 ? -27.457 -17.366 18.904 1.00 9.41 ? 350 LYS A CA 1 ATOM 2077 C C . LYS A 1 271 ? -28.209 -16.099 19.266 1.00 9.53 ? 350 LYS A C 1 ATOM 2078 O O . LYS A 1 271 ? -28.177 -15.122 18.518 1.00 10.24 ? 350 LYS A O 1 ATOM 2079 C CB . LYS A 1 271 ? -25.969 -17.180 19.191 1.00 8.60 ? 350 LYS A CB 1 ATOM 2080 C CG . LYS A 1 271 ? -25.690 -16.797 20.642 1.00 8.29 ? 350 LYS A CG 1 ATOM 2081 C CD . LYS A 1 271 ? -24.207 -16.614 20.902 1.00 8.62 ? 350 LYS A CD 1 ATOM 2082 C CE . LYS A 1 271 ? -23.950 -16.092 22.312 1.00 8.30 ? 350 LYS A CE 1 ATOM 2083 N NZ . LYS A 1 271 ? -24.219 -17.107 23.372 1.00 9.21 ? 350 LYS A NZ 1 ATOM 2084 N N . GLY A 1 272 ? -28.893 -16.127 20.407 1.00 9.28 ? 351 GLY A N 1 ATOM 2085 C CA . GLY A 1 272 ? -29.621 -14.972 20.899 1.00 9.61 ? 351 GLY A CA 1 ATOM 2086 C C . GLY A 1 272 ? -29.683 -14.970 22.415 1.00 10.09 ? 351 GLY A C 1 ATOM 2087 O O . GLY A 1 272 ? -29.005 -15.761 23.077 1.00 11.17 ? 351 GLY A O 1 ATOM 2088 N N . PHE A 1 273 ? -30.500 -14.087 22.976 1.00 9.96 ? 352 PHE A N 1 ATOM 2089 C CA . PHE A 1 273 ? -30.509 -13.900 24.419 1.00 10.51 ? 352 PHE A CA 1 ATOM 2090 C C . PHE A 1 273 ? -31.877 -13.469 24.926 1.00 9.78 ? 352 PHE A C 1 ATOM 2091 O O . PHE A 1 273 ? -32.755 -13.073 24.153 1.00 10.54 ? 352 PHE A O 1 ATOM 2092 C CB . PHE A 1 273 ? -29.495 -12.822 24.808 1.00 11.74 ? 352 PHE A CB 1 ATOM 2093 C CG . PHE A 1 273 ? -29.932 -11.439 24.426 1.00 11.88 ? 352 PHE A CG 1 ATOM 2094 C CD1 . PHE A 1 273 ? -29.665 -10.941 23.161 1.00 11.89 ? 352 PHE A CD1 1 ATOM 2095 C CD2 . PHE A 1 273 ? -30.653 -10.655 25.315 1.00 12.15 ? 352 PHE A CD2 1 ATOM 2096 C CE1 . PHE A 1 273 ? -30.083 -9.675 22.796 1.00 12.25 ? 352 PHE A CE1 1 ATOM 2097 C CE2 . PHE A 1 273 ? -31.080 -9.390 24.957 1.00 13.02 ? 352 PHE A CE2 1 ATOM 2098 C CZ . PHE A 1 273 ? -30.797 -8.899 23.694 1.00 11.96 ? 352 PHE A CZ 1 ATOM 2099 N N . GLY A 1 274 ? -32.033 -13.523 26.243 1.00 10.08 ? 353 GLY A N 1 ATOM 2100 C CA . GLY A 1 274 ? -33.188 -12.958 26.911 1.00 10.64 ? 353 GLY A CA 1 ATOM 2101 C C . GLY A 1 274 ? -32.827 -12.658 28.354 1.00 10.84 ? 353 GLY A C 1 ATOM 2102 O O . GLY A 1 274 ? -31.856 -13.203 28.880 1.00 13.04 ? 353 GLY A O 1 ATOM 2103 N N . PHE A 1 275 ? -33.595 -11.780 28.989 1.00 11.32 ? 354 PHE A N 1 ATOM 2104 C CA . PHE A 1 275 ? -33.397 -11.466 30.401 1.00 11.59 ? 354 PHE A CA 1 ATOM 2105 C C . PHE A 1 275 ? -34.709 -11.593 31.159 1.00 11.38 ? 354 PHE A C 1 ATOM 2106 O O . PHE A 1 275 ? -35.689 -10.917 30.834 1.00 12.15 ? 354 PHE A O 1 ATOM 2107 C CB . PHE A 1 275 ? -32.874 -10.040 30.581 1.00 11.76 ? 354 PHE A CB 1 ATOM 2108 C CG . PHE A 1 275 ? -31.453 -9.847 30.145 1.00 11.72 ? 354 PHE A CG 1 ATOM 2109 C CD1 . PHE A 1 275 ? -30.408 -10.378 30.887 1.00 11.72 ? 354 PHE A CD1 1 ATOM 2110 C CD2 . PHE A 1 275 ? -31.159 -9.108 29.011 1.00 13.12 ? 354 PHE A CD2 1 ATOM 2111 C CE1 . PHE A 1 275 ? -29.094 -10.190 30.493 1.00 12.73 ? 354 PHE A CE1 1 ATOM 2112 C CE2 . PHE A 1 275 ? -29.847 -8.915 28.612 1.00 12.82 ? 354 PHE A CE2 1 ATOM 2113 C CZ . PHE A 1 275 ? -28.812 -9.457 29.355 1.00 11.78 ? 354 PHE A CZ 1 ATOM 2114 N N . ARG A 1 276 ? -34.731 -12.448 32.176 1.00 11.50 ? 355 ARG A N 1 ATOM 2115 C CA . ARG A 1 276 ? -35.889 -12.525 33.053 1.00 11.71 ? 355 ARG A CA 1 ATOM 2116 C C . ARG A 1 276 ? -36.095 -11.184 33.752 1.00 12.94 ? 355 ARG A C 1 ATOM 2117 O O . ARG A 1 276 ? -35.134 -10.542 34.175 1.00 11.94 ? 355 ARG A O 1 ATOM 2118 C CB . ARG A 1 276 ? -35.715 -13.632 34.092 1.00 12.18 ? 355 ARG A CB 1 ATOM 2119 C CG . ARG A 1 276 ? -36.920 -13.788 35.004 1.00 12.78 ? 355 ARG A CG 1 ATOM 2120 C CD . ARG A 1 276 ? -36.826 -15.038 35.863 1.00 14.65 ? 355 ARG A CD 1 ATOM 2121 N NE . ARG A 1 276 ? -35.914 -14.888 36.993 1.00 14.49 ? 355 ARG A NE 1 ATOM 2122 C CZ . ARG A 1 276 ? -36.247 -14.305 38.141 1.00 15.50 ? 355 ARG A CZ 1 ATOM 2123 N NH1 . ARG A 1 276 ? -37.459 -13.793 38.296 1.00 16.07 ? 355 ARG A NH1 1 ATOM 2124 N NH2 . ARG A 1 276 ? -35.366 -14.220 39.130 1.00 16.45 ? 355 ARG A NH2 1 ATOM 2125 N N . GLN A 1 277 ? -37.352 -10.761 33.854 1.00 13.09 ? 356 GLN A N 1 ATOM 2126 C CA . GLN A 1 277 ? -37.713 -9.547 34.570 1.00 14.02 ? 356 GLN A CA 1 ATOM 2127 C C . GLN A 1 277 ? -38.874 -9.892 35.490 1.00 14.95 ? 356 GLN A C 1 ATOM 2128 O O . GLN A 1 277 ? -40.030 -9.595 35.185 1.00 15.57 ? 356 GLN A O 1 ATOM 2129 C CB . GLN A 1 277 ? -38.123 -8.450 33.589 1.00 13.66 ? 356 GLN A CB 1 ATOM 2130 C CG . GLN A 1 277 ? -37.029 -8.045 32.605 1.00 13.09 ? 356 GLN A CG 1 ATOM 2131 C CD . GLN A 1 277 ? -36.008 -7.095 33.208 1.00 13.62 ? 356 GLN A CD 1 ATOM 2132 O OE1 . GLN A 1 277 ? -36.152 -5.877 33.116 1.00 13.77 ? 356 GLN A OE1 1 ATOM 2133 N NE2 . GLN A 1 277 ? -34.962 -7.650 33.815 1.00 13.40 ? 356 GLN A NE2 1 ATOM 2134 N N . GLY A 1 278 ? -38.563 -10.533 36.612 1.00 13.92 ? 357 GLY A N 1 ATOM 2135 C CA . GLY A 1 278 ? -39.598 -11.075 37.472 1.00 15.15 ? 357 GLY A CA 1 ATOM 2136 C C . GLY A 1 278 ? -40.283 -12.218 36.747 1.00 15.47 ? 357 GLY A C 1 ATOM 2137 O O . GLY A 1 278 ? -39.680 -13.269 36.527 1.00 16.04 ? 357 GLY A O 1 ATOM 2138 N N . ASN A 1 279 ? -41.537 -12.006 36.356 1.00 15.70 ? 358 ASN A N 1 ATOM 2139 C CA . ASN A 1 279 ? -42.281 -12.995 35.583 1.00 14.40 ? 358 ASN A CA 1 ATOM 2140 C C . ASN A 1 279 ? -42.226 -12.715 34.086 1.00 14.27 ? 358 ASN A C 1 ATOM 2141 O O . ASN A 1 279 ? -42.584 -13.569 33.274 1.00 14.19 ? 358 ASN A O 1 ATOM 2142 C CB . ASN A 1 279 ? -43.740 -13.055 36.046 1.00 16.77 ? 358 ASN A CB 1 ATOM 2143 C CG . ASN A 1 279 ? -43.889 -13.679 37.416 1.00 19.16 ? 358 ASN A CG 1 ATOM 2144 O OD1 . ASN A 1 279 ? -43.092 -14.532 37.813 1.00 20.18 ? 358 ASN A OD1 1 ATOM 2145 N ND2 . ASN A 1 279 ? -44.916 -13.262 38.148 1.00 21.20 ? 358 ASN A ND2 1 ATOM 2146 N N . SER A 1 280 ? -41.776 -11.515 33.734 1.00 15.29 ? 359 SER A N 1 ATOM 2147 C CA . SER A 1 280 ? -41.690 -11.098 32.338 1.00 14.69 ? 359 SER A CA 1 ATOM 2148 C C . SER A 1 280 ? -40.305 -11.375 31.766 1.00 13.58 ? 359 SER A C 1 ATOM 2149 O O . SER A 1 280 ? -39.442 -11.920 32.449 1.00 14.50 ? 359 SER A O 1 ATOM 2150 C CB . SER A 1 280 ? -42.029 -9.612 32.203 1.00 13.88 ? 359 SER A CB 1 ATOM 2151 O OG . SER A 1 280 ? -43.352 -9.356 32.644 1.00 15.86 ? 359 SER A OG 1 ATOM 2152 N N . VAL A 1 281 ? -40.096 -10.997 30.509 1.00 12.89 ? 360 VAL A N 1 ATOM 2153 C CA . VAL A 1 281 ? -38.825 -11.256 29.846 1.00 13.31 ? 360 VAL A CA 1 ATOM 2154 C C . VAL A 1 281 ? -38.537 -10.225 28.756 1.00 13.94 ? 360 VAL A C 1 ATOM 2155 O O . VAL A 1 281 ? -39.433 -9.855 27.993 1.00 13.55 ? 360 VAL A O 1 ATOM 2156 C CB . VAL A 1 281 ? -38.787 -12.690 29.244 1.00 13.33 ? 360 VAL A CB 1 ATOM 2157 C CG1 . VAL A 1 281 ? -39.895 -12.878 28.215 1.00 14.45 ? 360 VAL A CG1 1 ATOM 2158 C CG2 . VAL A 1 281 ? -37.425 -12.991 28.633 1.00 13.32 ? 360 VAL A CG2 1 ATOM 2159 N N . TRP A 1 282 ? -37.298 -9.737 28.719 1.00 12.51 ? 361 TRP A N 1 ATOM 2160 C CA . TRP A 1 282 ? -36.784 -9.003 27.568 1.00 11.11 ? 361 TRP A CA 1 ATOM 2161 C C . TRP A 1 282 ? -36.157 -10.040 26.649 1.00 11.15 ? 361 TRP A C 1 ATOM 2162 O O . TRP A 1 282 ? -35.290 -10.799 27.078 1.00 14.37 ? 361 TRP A O 1 ATOM 2163 C CB . TRP A 1 282 ? -35.694 -8.008 27.978 1.00 12.03 ? 361 TRP A CB 1 ATOM 2164 C CG . TRP A 1 282 ? -36.173 -6.665 28.458 1.00 12.43 ? 361 TRP A CG 1 ATOM 2165 C CD1 . TRP A 1 282 ? -36.156 -6.203 29.744 1.00 13.65 ? 361 TRP A CD1 1 ATOM 2166 C CD2 . TRP A 1 282 ? -36.703 -5.598 27.657 1.00 12.15 ? 361 TRP A CD2 1 ATOM 2167 N NE1 . TRP A 1 282 ? -36.654 -4.923 29.794 1.00 15.12 ? 361 TRP A NE1 1 ATOM 2168 C CE2 . TRP A 1 282 ? -37.000 -4.529 28.528 1.00 14.05 ? 361 TRP A CE2 1 ATOM 2169 C CE3 . TRP A 1 282 ? -36.963 -5.446 26.290 1.00 12.86 ? 361 TRP A CE3 1 ATOM 2170 C CZ2 . TRP A 1 282 ? -37.540 -3.325 28.077 1.00 14.54 ? 361 TRP A CZ2 1 ATOM 2171 C CZ3 . TRP A 1 282 ? -37.504 -4.248 25.843 1.00 13.45 ? 361 TRP A CZ3 1 ATOM 2172 C CH2 . TRP A 1 282 ? -37.785 -3.204 26.735 1.00 14.50 ? 361 TRP A CH2 1 ATOM 2173 N N . ALA A 1 283 ? -36.586 -10.083 25.392 1.00 12.27 ? 362 ALA A N 1 ATOM 2174 C CA . ALA A 1 283 ? -36.014 -11.029 24.437 1.00 12.05 ? 362 ALA A CA 1 ATOM 2175 C C . ALA A 1 283 ? -35.611 -10.335 23.146 1.00 12.71 ? 362 ALA A C 1 ATOM 2176 O O . ALA A 1 283 ? -36.372 -9.545 22.592 1.00 12.98 ? 362 ALA A O 1 ATOM 2177 C CB . ALA A 1 283 ? -36.997 -12.153 24.142 1.00 12.92 ? 362 ALA A CB 1 ATOM 2178 N N . GLY A 1 284 ? -34.411 -10.635 22.665 1.00 11.64 ? 363 GLY A N 1 ATOM 2179 C CA . GLY A 1 284 ? -33.961 -10.095 21.398 1.00 10.98 ? 363 GLY A CA 1 ATOM 2180 C C . GLY A 1 284 ? -34.347 -10.997 20.242 1.00 11.55 ? 363 GLY A C 1 ATOM 2181 O O . GLY A 1 284 ? -34.549 -12.199 20.412 1.00 13.15 ? 363 GLY A O 1 ATOM 2182 N N . ARG A 1 285 ? -34.469 -10.417 19.057 1.00 10.62 ? 364 ARG A N 1 ATOM 2183 C CA . ARG A 1 285 ? -34.624 -11.224 17.854 1.00 9.83 ? 364 ARG A CA 1 ATOM 2184 C C . ARG A 1 285 ? -34.335 -10.407 16.612 1.00 9.98 ? 364 ARG A C 1 ATOM 2185 O O . ARG A 1 285 ? -34.412 -9.180 16.633 1.00 11.33 ? 364 ARG A O 1 ATOM 2186 C CB . ARG A 1 285 ? -36.028 -11.830 17.772 1.00 10.32 ? 364 ARG A CB 1 ATOM 2187 C CG . ARG A 1 285 ? -37.160 -10.817 17.624 1.00 11.33 ? 364 ARG A CG 1 ATOM 2188 C CD . ARG A 1 285 ? -38.495 -11.546 17.576 1.00 12.37 ? 364 ARG A CD 1 ATOM 2189 N NE . ARG A 1 285 ? -39.619 -10.669 17.273 1.00 12.88 ? 364 ARG A NE 1 ATOM 2190 C CZ . ARG A 1 285 ? -40.868 -11.101 17.140 1.00 14.04 ? 364 ARG A CZ 1 ATOM 2191 N NH1 . ARG A 1 285 ? -41.135 -12.392 17.289 1.00 14.40 ? 364 ARG A NH1 1 ATOM 2192 N NH2 . ARG A 1 285 ? -41.847 -10.249 16.865 1.00 15.25 ? 364 ARG A NH2 1 ATOM 2193 N N . THR A 1 286 ? -33.987 -11.091 15.530 1.00 10.84 ? 365 THR A N 1 ATOM 2194 C CA . THR A 1 286 ? -33.863 -10.431 14.242 1.00 11.16 ? 365 THR A CA 1 ATOM 2195 C C . THR A 1 286 ? -35.231 -9.878 13.862 1.00 11.75 ? 365 THR A C 1 ATOM 2196 O O . THR A 1 286 ? -36.257 -10.392 14.303 1.00 12.24 ? 365 THR A O 1 ATOM 2197 C CB . THR A 1 286 ? -33.399 -11.416 13.163 1.00 11.54 ? 365 THR A CB 1 ATOM 2198 O OG1 . THR A 1 286 ? -34.387 -12.442 12.997 1.00 14.33 ? 365 THR A OG1 1 ATOM 2199 C CG2 . THR A 1 286 ? -32.075 -12.056 13.565 1.00 12.55 ? 365 THR A CG2 1 ATOM 2200 N N . VAL A 1 287 ? -35.257 -8.822 13.061 1.00 11.83 ? 366 VAL A N 1 ATOM 2201 C CA . VAL A 1 287 ? -36.537 -8.290 12.601 1.00 12.87 ? 366 VAL A CA 1 ATOM 2202 C C . VAL A 1 287 ? -37.179 -9.250 11.600 1.00 14.27 ? 366 VAL A C 1 ATOM 2203 O O . VAL A 1 287 ? -38.376 -9.532 11.672 1.00 15.83 ? 366 VAL A O 1 ATOM 2204 C CB . VAL A 1 287 ? -36.392 -6.882 11.995 1.00 13.79 ? 366 VAL A CB 1 ATOM 2205 C CG1 . VAL A 1 287 ? -37.693 -6.440 11.351 1.00 15.37 ? 366 VAL A CG1 1 ATOM 2206 C CG2 . VAL A 1 287 ? -35.982 -5.893 13.074 1.00 14.27 ? 366 VAL A CG2 1 ATOM 2207 N N . SER A 1 288 ? -36.370 -9.762 10.679 1.00 14.17 ? 367 SER A N 1 ATOM 2208 C CA . SER A 1 288 ? -36.827 -10.750 9.707 1.00 14.79 ? 367 SER A CA 1 ATOM 2209 C C . SER A 1 288 ? -37.085 -12.092 10.381 1.00 15.10 ? 367 SER A C 1 ATOM 2210 O O . SER A 1 288 ? -36.342 -12.494 11.274 1.00 15.47 ? 367 SER A O 1 ATOM 2211 C CB . SER A 1 288 ? -35.778 -10.929 8.610 1.00 13.93 ? 367 SER A CB 1 ATOM 2212 O OG . SER A 1 288 ? -36.069 -12.064 7.817 1.00 16.19 ? 367 SER A OG 1 ATOM 2213 N N . ILE A 1 289 ? -38.130 -12.793 9.951 1.00 16.27 ? 368 ILE A N 1 ATOM 2214 C CA . ILE A 1 289 ? -38.417 -14.110 10.510 1.00 16.25 ? 368 ILE A CA 1 ATOM 2215 C C . ILE A 1 289 ? -37.567 -15.193 9.853 1.00 16.38 ? 368 ILE A C 1 ATOM 2216 O O . ILE A 1 289 ? -37.420 -16.288 10.394 1.00 16.26 ? 368 ILE A O 1 ATOM 2217 C CB . ILE A 1 289 ? -39.910 -14.496 10.379 1.00 16.67 ? 368 ILE A CB 1 ATOM 2218 C CG1 . ILE A 1 289 ? -40.302 -14.669 8.908 1.00 17.53 ? 368 ILE A CG1 1 ATOM 2219 C CG2 . ILE A 1 289 ? -40.794 -13.469 11.073 1.00 18.35 ? 368 ILE A CG2 1 ATOM 2220 C CD1 . ILE A 1 289 ? -41.722 -15.174 8.714 1.00 18.43 ? 368 ILE A CD1 1 ATOM 2221 N N . SER A 1 290 ? -37.000 -14.885 8.691 1.00 17.92 ? 369 SER A N 1 ATOM 2222 C CA . SER A 1 290 ? -36.293 -15.897 7.911 1.00 19.60 ? 369 SER A CA 1 ATOM 2223 C C . SER A 1 290 ? -34.788 -15.662 7.831 1.00 20.50 ? 369 SER A C 1 ATOM 2224 O O . SER A 1 290 ? -34.009 -16.611 7.740 1.00 22.53 ? 369 SER A O 1 ATOM 2225 C CB . SER A 1 290 ? -36.888 -15.997 6.502 1.00 22.12 ? 369 SER A CB 1 ATOM 2226 O OG . SER A 1 290 ? -36.754 -14.773 5.799 1.00 24.65 ? 369 SER A OG 1 ATOM 2227 N N . SER A 1 291 ? -34.376 -14.401 7.866 1.00 18.36 ? 370 SER A N 1 ATOM 2228 C CA . SER A 1 291 ? -32.970 -14.072 7.673 1.00 17.92 ? 370 SER A CA 1 ATOM 2229 C C . SER A 1 291 ? -32.379 -13.306 8.848 1.00 14.93 ? 370 SER A C 1 ATOM 2230 O O . SER A 1 291 ? -33.100 -12.721 9.659 1.00 14.69 ? 370 SER A O 1 ATOM 2231 C CB . SER A 1 291 ? -32.783 -13.269 6.385 1.00 21.63 ? 370 SER A CB 1 ATOM 2232 O OG . SER A 1 291 ? -33.513 -12.059 6.433 1.00 26.21 ? 370 SER A OG 1 ATOM 2233 N N . ARG A 1 292 ? -31.055 -13.309 8.926 1.00 15.59 ? 371 ARG A N 1 ATOM 2234 C CA . ARG A 1 292 ? -30.357 -12.586 9.975 1.00 14.04 ? 371 ARG A CA 1 ATOM 2235 C C . ARG A 1 292 ? -30.204 -11.124 9.573 1.00 15.23 ? 371 ARG A C 1 ATOM 2236 O O . ARG A 1 292 ? -29.106 -10.654 9.261 1.00 15.65 ? 371 ARG A O 1 ATOM 2237 C CB . ARG A 1 292 ? -29.004 -13.238 10.255 1.00 14.06 ? 371 ARG A CB 1 ATOM 2238 C CG . ARG A 1 292 ? -29.135 -14.671 10.747 1.00 13.32 ? 371 ARG A CG 1 ATOM 2239 C CD . ARG A 1 292 ? -27.807 -15.404 10.757 1.00 12.06 ? 371 ARG A CD 1 ATOM 2240 N NE . ARG A 1 292 ? -27.926 -16.699 11.424 1.00 11.28 ? 371 ARG A NE 1 ATOM 2241 C CZ . ARG A 1 292 ? -26.895 -17.466 11.761 1.00 12.41 ? 371 ARG A CZ 1 ATOM 2242 N NH1 . ARG A 1 292 ? -25.656 -17.070 11.499 1.00 12.72 ? 371 ARG A NH1 1 ATOM 2243 N NH2 . ARG A 1 292 ? -27.101 -18.623 12.375 1.00 11.90 ? 371 ARG A NH2 1 ATOM 2244 N N . SER A 1 293 ? -31.330 -10.419 9.567 1.00 14.62 ? 372 SER A N 1 ATOM 2245 C CA . SER A 1 293 ? -31.364 -8.999 9.244 1.00 14.60 ? 372 SER A CA 1 ATOM 2246 C C . SER A 1 293 ? -32.199 -8.251 10.275 1.00 13.22 ? 372 SER A C 1 ATOM 2247 O O . SER A 1 293 ? -33.219 -8.757 10.756 1.00 12.95 ? 372 SER A O 1 ATOM 2248 C CB . SER A 1 293 ? -31.923 -8.768 7.837 1.00 18.15 ? 372 SER A CB 1 ATOM 2249 O OG . SER A 1 293 ? -33.211 -9.340 7.693 1.00 20.27 ? 372 SER A OG 1 ATOM 2250 N N . GLY A 1 294 ? -31.750 -7.050 10.620 1.00 11.45 ? 373 GLY A N 1 ATOM 2251 C CA . GLY A 1 294 ? -32.419 -6.237 11.615 1.00 10.57 ? 373 GLY A CA 1 ATOM 2252 C C . GLY A 1 294 ? -32.260 -6.787 13.018 1.00 10.76 ? 373 GLY A C 1 ATOM 2253 O O . GLY A 1 294 ? -31.823 -7.924 13.215 1.00 11.00 ? 373 GLY A O 1 ATOM 2254 N N . PHE A 1 295 ? -32.600 -5.972 14.008 1.00 9.60 ? 374 PHE A N 1 ATOM 2255 C CA . PHE A 1 295 ? -32.612 -6.448 15.383 1.00 10.83 ? 374 PHE A CA 1 ATOM 2256 C C . PHE A 1 295 ? -33.518 -5.609 16.265 1.00 10.89 ? 374 PHE A C 1 ATOM 2257 O O . PHE A 1 295 ? -33.504 -4.379 16.206 1.00 10.79 ? 374 PHE A O 1 ATOM 2258 C CB . PHE A 1 295 ? -31.203 -6.513 15.978 1.00 10.22 ? 374 PHE A CB 1 ATOM 2259 C CG . PHE A 1 295 ? -31.101 -7.446 17.146 1.00 11.00 ? 374 PHE A CG 1 ATOM 2260 C CD1 . PHE A 1 295 ? -31.087 -8.817 16.945 1.00 10.56 ? 374 PHE A CD1 1 ATOM 2261 C CD2 . PHE A 1 295 ? -31.054 -6.959 18.439 1.00 11.76 ? 374 PHE A CD2 1 ATOM 2262 C CE1 . PHE A 1 295 ? -31.013 -9.688 18.009 1.00 10.31 ? 374 PHE A CE1 1 ATOM 2263 C CE2 . PHE A 1 295 ? -30.979 -7.826 19.518 1.00 11.47 ? 374 PHE A CE2 1 ATOM 2264 C CZ . PHE A 1 295 ? -30.957 -9.193 19.303 1.00 10.96 ? 374 PHE A CZ 1 ATOM 2265 N N . GLU A 1 296 ? -34.308 -6.293 17.082 1.00 10.85 ? 375 GLU A N 1 ATOM 2266 C CA . GLU A 1 296 ? -35.231 -5.639 17.990 1.00 11.04 ? 375 GLU A CA 1 ATOM 2267 C C . GLU A 1 296 ? -35.239 -6.380 19.321 1.00 11.09 ? 375 GLU A C 1 ATOM 2268 O O . GLU A 1 296 ? -34.848 -7.548 19.398 1.00 11.28 ? 375 GLU A O 1 ATOM 2269 C CB . GLU A 1 296 ? -36.640 -5.615 17.383 1.00 13.07 ? 375 GLU A CB 1 ATOM 2270 C CG . GLU A 1 296 ? -37.209 -7.003 17.112 1.00 13.91 ? 375 GLU A CG 1 ATOM 2271 C CD . GLU A 1 296 ? -38.536 -6.972 16.371 1.00 17.75 ? 375 GLU A CD 1 ATOM 2272 O OE1 . GLU A 1 296 ? -38.872 -5.931 15.769 1.00 19.99 ? 375 GLU A OE1 1 ATOM 2273 O OE2 . GLU A 1 296 ? -39.244 -8.001 16.384 1.00 19.41 ? 375 GLU A OE2 1 ATOM 2274 N N . ILE A 1 297 ? -35.664 -5.695 20.375 1.00 11.34 ? 376 ILE A N 1 ATOM 2275 C CA . ILE A 1 297 ? -35.798 -6.334 21.674 1.00 12.42 ? 376 ILE A CA 1 ATOM 2276 C C . ILE A 1 297 ? -37.202 -6.079 22.203 1.00 13.90 ? 376 ILE A C 1 ATOM 2277 O O . ILE A 1 297 ? -37.713 -4.959 22.129 1.00 15.61 ? 376 ILE A O 1 ATOM 2278 C CB . ILE A 1 297 ? -34.736 -5.847 22.691 1.00 14.53 ? 376 ILE A CB 1 ATOM 2279 C CG1 . ILE A 1 297 ? -33.354 -5.761 22.042 1.00 16.60 ? 376 ILE A CG1 1 ATOM 2280 C CG2 . ILE A 1 297 ? -34.677 -6.786 23.880 1.00 15.63 ? 376 ILE A CG2 1 ATOM 2281 C CD1 . ILE A 1 297 ? -33.091 -4.456 21.309 1.00 19.75 ? 376 ILE A CD1 1 ATOM 2282 N N . LEU A 1 298 ? -37.826 -7.132 22.718 1.00 13.35 ? 377 LEU A N 1 ATOM 2283 C CA . LEU A 1 298 ? -39.222 -7.081 23.128 1.00 13.44 ? 377 LEU A CA 1 ATOM 2284 C C . LEU A 1 298 ? -39.357 -7.363 24.616 1.00 12.60 ? 377 LEU A C 1 ATOM 2285 O O . LEU A 1 298 ? -38.728 -8.283 25.135 1.00 14.17 ? 377 LEU A O 1 ATOM 2286 C CB . LEU A 1 298 ? -40.040 -8.121 22.350 1.00 15.20 ? 377 LEU A CB 1 ATOM 2287 C CG . LEU A 1 298 ? -40.362 -7.897 20.870 1.00 18.68 ? 377 LEU A CG 1 ATOM 2288 C CD1 . LEU A 1 298 ? -39.103 -7.804 20.034 1.00 21.63 ? 377 LEU A CD1 1 ATOM 2289 C CD2 . LEU A 1 298 ? -41.256 -9.018 20.359 1.00 21.84 ? 377 LEU A CD2 1 ATOM 2290 N N . LEU A 1 299 ? -40.174 -6.572 25.303 1.00 12.97 ? 378 LEU A N 1 ATOM 2291 C CA . LEU A 1 299 ? -40.551 -6.895 26.673 1.00 13.44 ? 378 LEU A CA 1 ATOM 2292 C C . LEU A 1 299 ? -41.903 -7.592 26.627 1.00 14.61 ? 378 LEU A C 1 ATOM 2293 O O . LEU A 1 299 ? -42.910 -6.987 26.250 1.00 15.38 ? 378 LEU A O 1 ATOM 2294 C CB . LEU A 1 299 ? -40.620 -5.639 27.543 1.00 14.03 ? 378 LEU A CB 1 ATOM 2295 C CG . LEU A 1 299 ? -40.952 -5.856 29.024 1.00 14.16 ? 378 LEU A CG 1 ATOM 2296 C CD1 . LEU A 1 299 ? -39.954 -6.796 29.690 1.00 13.75 ? 378 LEU A CD1 1 ATOM 2297 C CD2 . LEU A 1 299 ? -41.003 -4.528 29.757 1.00 17.42 ? 378 LEU A CD2 1 ATOM 2298 N N . ILE A 1 300 ? -41.916 -8.872 26.983 1.00 13.86 ? 379 ILE A N 1 ATOM 2299 C CA . ILE A 1 300 ? -43.131 -9.677 26.920 1.00 14.75 ? 379 ILE A CA 1 ATOM 2300 C C . ILE A 1 300 ? -43.689 -9.904 28.318 1.00 15.27 ? 379 ILE A C 1 ATOM 2301 O O . ILE A 1 300 ? -43.047 -10.535 29.162 1.00 15.03 ? 379 ILE A O 1 ATOM 2302 C CB . ILE A 1 300 ? -42.872 -11.034 26.247 1.00 14.59 ? 379 ILE A CB 1 ATOM 2303 C CG1 . ILE A 1 300 ? -42.234 -10.827 24.871 1.00 16.05 ? 379 ILE A CG1 1 ATOM 2304 C CG2 . ILE A 1 300 ? -44.169 -11.820 26.130 1.00 14.62 ? 379 ILE A CG2 1 ATOM 2305 C CD1 . ILE A 1 300 ? -41.634 -12.084 24.270 1.00 17.47 ? 379 ILE A CD1 1 ATOM 2306 N N . GLU A 1 301 ? -44.888 -9.383 28.556 1.00 16.85 ? 380 GLU A N 1 ATOM 2307 C CA . GLU A 1 301 ? -45.516 -9.452 29.869 1.00 17.54 ? 380 GLU A CA 1 ATOM 2308 C C . GLU A 1 301 ? -45.752 -10.893 30.303 1.00 17.62 ? 380 GLU A C 1 ATOM 2309 O O . GLU A 1 301 ? -46.424 -11.654 29.609 1.00 17.17 ? 380 GLU A O 1 ATOM 2310 C CB . GLU A 1 301 ? -46.834 -8.675 29.860 1.00 19.91 ? 380 GLU A CB 1 ATOM 2311 C CG . GLU A 1 301 ? -47.505 -8.581 31.214 1.00 24.31 ? 380 GLU A CG 1 ATOM 2312 C CD . GLU A 1 301 ? -48.666 -7.605 31.213 1.00 29.69 ? 380 GLU A CD 1 ATOM 2313 O OE1 . GLU A 1 301 ? -49.743 -7.958 30.689 1.00 31.85 ? 380 GLU A OE1 1 ATOM 2314 O OE2 . GLU A 1 301 ? -48.501 -6.483 31.735 1.00 33.30 ? 380 GLU A OE2 1 ATOM 2315 N N . ASP A 1 302 ? -45.193 -11.257 31.454 1.00 16.73 ? 381 ASP A N 1 ATOM 2316 C CA . ASP A 1 302 ? -45.309 -12.612 31.989 1.00 17.33 ? 381 ASP A CA 1 ATOM 2317 C C . ASP A 1 302 ? -44.714 -13.676 31.061 1.00 16.43 ? 381 ASP A C 1 ATOM 2318 O O . ASP A 1 302 ? -45.026 -14.860 31.189 1.00 16.60 ? 381 ASP A O 1 ATOM 2319 C CB . ASP A 1 302 ? -46.774 -12.944 32.300 1.00 19.12 ? 381 ASP A CB 1 ATOM 2320 C CG . ASP A 1 302 ? -47.327 -12.121 33.448 1.00 22.72 ? 381 ASP A CG 1 ATOM 2321 O OD1 . ASP A 1 302 ? -46.527 -11.646 34.280 1.00 23.97 ? 381 ASP A OD1 1 ATOM 2322 O OD2 . ASP A 1 302 ? -48.563 -11.955 33.523 1.00 25.02 ? 381 ASP A OD2 1 ATOM 2323 N N . GLY A 1 303 ? -43.846 -13.254 30.146 1.00 14.89 ? 382 GLY A N 1 ATOM 2324 C CA . GLY A 1 303 ? -43.301 -14.145 29.135 1.00 15.69 ? 382 GLY A CA 1 ATOM 2325 C C . GLY A 1 303 ? -42.365 -15.223 29.651 1.00 15.31 ? 382 GLY A C 1 ATOM 2326 O O . GLY A 1 303 ? -42.031 -16.164 28.926 1.00 15.25 ? 382 GLY A O 1 ATOM 2327 N N . TRP A 1 304 ? -41.932 -15.094 30.901 1.00 15.62 ? 383 TRP A N 1 ATOM 2328 C CA . TRP A 1 304 ? -41.046 -16.095 31.485 1.00 15.26 ? 383 TRP A CA 1 ATOM 2329 C C . TRP A 1 304 ? -41.838 -17.259 32.084 1.00 15.93 ? 383 TRP A C 1 ATOM 2330 O O . TRP A 1 304 ? -41.308 -18.358 32.241 1.00 17.06 ? 383 TRP A O 1 ATOM 2331 C CB . TRP A 1 304 ? -40.137 -15.466 32.547 1.00 16.14 ? 383 TRP A CB 1 ATOM 2332 C CG . TRP A 1 304 ? -38.959 -16.322 32.948 1.00 15.99 ? 383 TRP A CG 1 ATOM 2333 C CD1 . TRP A 1 304 ? -38.913 -17.238 33.963 1.00 16.26 ? 383 TRP A CD1 1 ATOM 2334 C CD2 . TRP A 1 304 ? -37.659 -16.328 32.346 1.00 15.40 ? 383 TRP A CD2 1 ATOM 2335 N NE1 . TRP A 1 304 ? -37.666 -17.813 34.027 1.00 17.96 ? 383 TRP A NE1 1 ATOM 2336 C CE2 . TRP A 1 304 ? -36.877 -17.272 33.046 1.00 16.26 ? 383 TRP A CE2 1 ATOM 2337 C CE3 . TRP A 1 304 ? -37.077 -15.624 31.288 1.00 15.22 ? 383 TRP A CE3 1 ATOM 2338 C CZ2 . TRP A 1 304 ? -35.546 -17.530 32.718 1.00 16.62 ? 383 TRP A CZ2 1 ATOM 2339 C CZ3 . TRP A 1 304 ? -35.754 -15.886 30.962 1.00 15.61 ? 383 TRP A CZ3 1 ATOM 2340 C CH2 . TRP A 1 304 ? -35.005 -16.829 31.676 1.00 16.19 ? 383 TRP A CH2 1 ATOM 2341 N N . ILE A 1 305 ? -43.108 -17.022 32.401 1.00 16.19 ? 384 ILE A N 1 ATOM 2342 C CA . ILE A 1 305 ? -43.898 -18.014 33.133 1.00 16.76 ? 384 ILE A CA 1 ATOM 2343 C C . ILE A 1 305 ? -45.133 -18.546 32.401 1.00 17.31 ? 384 ILE A C 1 ATOM 2344 O O . ILE A 1 305 ? -45.687 -19.574 32.790 1.00 19.69 ? 384 ILE A O 1 ATOM 2345 C CB . ILE A 1 305 ? -44.321 -17.498 34.528 1.00 17.83 ? 384 ILE A CB 1 ATOM 2346 C CG1 . ILE A 1 305 ? -45.311 -16.335 34.401 1.00 17.70 ? 384 ILE A CG1 1 ATOM 2347 C CG2 . ILE A 1 305 ? -43.095 -17.098 35.339 1.00 19.73 ? 384 ILE A CG2 1 ATOM 2348 C CD1 . ILE A 1 305 ? -45.955 -15.925 35.715 1.00 20.65 ? 384 ILE A CD1 1 ATOM 2349 N N . ARG A 1 306 ? -45.576 -17.852 31.358 1.00 16.95 ? 385 ARG A N 1 ATOM 2350 C CA . ARG A 1 306 ? -46.714 -18.334 30.581 1.00 18.85 ? 385 ARG A CA 1 ATOM 2351 C C . ARG A 1 306 ? -46.609 -17.966 29.104 1.00 18.66 ? 385 ARG A C 1 ATOM 2352 O O . ARG A 1 306 ? -45.776 -17.147 28.713 1.00 19.29 ? 385 ARG A O 1 ATOM 2353 C CB . ARG A 1 306 ? -48.041 -17.848 31.171 1.00 22.24 ? 385 ARG A CB 1 ATOM 2354 C CG . ARG A 1 306 ? -48.238 -16.349 31.139 1.00 23.45 ? 385 ARG A CG 1 ATOM 2355 C CD . ARG A 1 306 ? -49.622 -15.967 31.646 1.00 26.32 ? 385 ARG A CD 1 ATOM 2356 N NE . ARG A 1 306 ? -49.762 -14.521 31.765 1.00 27.87 ? 385 ARG A NE 1 ATOM 2357 C CZ . ARG A 1 306 ? -50.202 -13.728 30.795 1.00 28.82 ? 385 ARG A CZ 1 ATOM 2358 N NH1 . ARG A 1 306 ? -50.560 -14.240 29.625 1.00 27.79 ? 385 ARG A NH1 1 ATOM 2359 N NH2 . ARG A 1 306 ? -50.288 -12.421 30.998 1.00 30.00 ? 385 ARG A NH2 1 ATOM 2360 N N . THR A 1 307 ? -47.465 -18.581 28.295 1.00 17.39 ? 387 THR A N 1 ATOM 2361 C CA . THR A 1 307 ? -47.403 -18.445 26.842 1.00 17.42 ? 387 THR A CA 1 ATOM 2362 C C . THR A 1 307 ? -47.981 -17.119 26.355 1.00 17.85 ? 387 THR A C 1 ATOM 2363 O O . THR A 1 307 ? -48.751 -17.075 25.395 1.00 19.65 ? 387 THR A O 1 ATOM 2364 C CB . THR A 1 307 ? -48.120 -19.617 26.148 1.00 19.19 ? 387 THR A CB 1 ATOM 2365 O OG1 . THR A 1 307 ? -49.465 -19.709 26.633 1.00 20.22 ? 387 THR A OG1 1 ATOM 2366 C CG2 . THR A 1 307 ? -47.397 -20.921 26.445 1.00 18.64 ? 387 THR A CG2 1 ATOM 2367 N N . SER A 1 308 ? -47.578 -16.039 27.015 1.00 17.59 ? 388 SER A N 1 ATOM 2368 C CA . SER A 1 308 ? -48.084 -14.703 26.723 1.00 16.69 ? 388 SER A CA 1 ATOM 2369 C C . SER A 1 308 ? -47.696 -14.188 25.339 1.00 17.08 ? 388 SER A C 1 ATOM 2370 O O . SER A 1 308 ? -46.602 -14.457 24.842 1.00 17.67 ? 388 SER A O 1 ATOM 2371 C CB . SER A 1 308 ? -47.586 -13.721 27.782 1.00 16.66 ? 388 SER A CB 1 ATOM 2372 O OG . SER A 1 308 ? -47.992 -12.397 27.478 1.00 17.08 ? 388 SER A OG 1 ATOM 2373 N N . LYS A 1 309 ? -48.604 -13.433 24.729 1.00 17.83 ? 389 LYS A N 1 ATOM 2374 C CA . LYS A 1 309 ? -48.324 -12.760 23.467 1.00 18.14 ? 389 LYS A CA 1 ATOM 2375 C C . LYS A 1 309 ? -48.382 -11.250 23.658 1.00 17.96 ? 389 LYS A C 1 ATOM 2376 O O . LYS A 1 309 ? -48.378 -10.488 22.693 1.00 19.98 ? 389 LYS A O 1 ATOM 2377 C CB . LYS A 1 309 ? -49.320 -13.198 22.394 1.00 18.57 ? 389 LYS A CB 1 ATOM 2378 C CG . LYS A 1 309 ? -49.098 -14.614 21.893 1.00 20.05 ? 389 LYS A CG 1 ATOM 2379 C CD . LYS A 1 309 ? -50.194 -15.033 20.926 1.00 20.26 ? 389 LYS A CD 1 ATOM 2380 C CE . LYS A 1 309 ? -49.806 -16.289 20.175 1.00 22.15 ? 389 LYS A CE 1 ATOM 2381 N NZ . LYS A 1 309 ? -48.645 -16.034 19.279 1.00 22.57 ? 389 LYS A NZ 1 ATOM 2382 N N . THR A 1 310 ? -48.433 -10.822 24.914 1.00 16.90 ? 390 THR A N 1 ATOM 2383 C CA . THR A 1 310 ? -48.539 -9.405 25.232 1.00 18.41 ? 390 THR A CA 1 ATOM 2384 C C . THR A 1 310 ? -47.174 -8.728 25.209 1.00 17.97 ? 390 THR A C 1 ATOM 2385 O O . THR A 1 310 ? -46.359 -8.916 26.114 1.00 18.77 ? 390 THR A O 1 ATOM 2386 C CB . THR A 1 310 ? -49.187 -9.191 26.610 1.00 19.67 ? 390 THR A CB 1 ATOM 2387 O OG1 . THR A 1 310 ? -50.432 -9.897 26.666 1.00 21.03 ? 390 THR A OG1 1 ATOM 2388 C CG2 . THR A 1 310 ? -49.429 -7.710 26.864 1.00 20.23 ? 390 THR A CG2 1 ATOM 2389 N N . ILE A 1 311 ? -46.932 -7.941 24.167 1.00 18.29 ? 391 ILE A N 1 ATOM 2390 C CA . ILE A 1 311 ? -45.694 -7.184 24.048 1.00 18.31 ? 391 ILE A CA 1 ATOM 2391 C C . ILE A 1 311 ? -45.922 -5.775 24.581 1.00 19.04 ? 391 ILE A C 1 ATOM 2392 O O . ILE A 1 311 ? -46.675 -4.994 23.998 1.00 21.66 ? 391 ILE A O 1 ATOM 2393 C CB . ILE A 1 311 ? -45.203 -7.138 22.589 1.00 18.88 ? 391 ILE A CB 1 ATOM 2394 C CG1 . ILE A 1 311 ? -44.964 -8.561 22.074 1.00 19.98 ? 391 ILE A CG1 1 ATOM 2395 C CG2 . ILE A 1 311 ? -43.929 -6.304 22.476 1.00 19.47 ? 391 ILE A CG2 1 ATOM 2396 C CD1 . ILE A 1 311 ? -44.840 -8.666 20.568 1.00 20.39 ? 391 ILE A CD1 1 ATOM 2397 N N . VAL A 1 312 ? -45.283 -5.459 25.701 1.00 16.95 ? 392 VAL A N 1 ATOM 2398 C CA . VAL A 1 312 ? -45.512 -4.181 26.363 1.00 18.88 ? 392 VAL A CA 1 ATOM 2399 C C . VAL A 1 312 ? -44.533 -3.098 25.918 1.00 18.96 ? 392 VAL A C 1 ATOM 2400 O O . VAL A 1 312 ? -44.855 -1.912 25.964 1.00 20.84 ? 392 VAL A O 1 ATOM 2401 C CB . VAL A 1 312 ? -45.490 -4.323 27.894 1.00 21.97 ? 392 VAL A CB 1 ATOM 2402 C CG1 . VAL A 1 312 ? -46.687 -5.141 28.360 1.00 24.27 ? 392 VAL A CG1 1 ATOM 2403 C CG2 . VAL A 1 312 ? -44.200 -4.960 28.347 1.00 22.46 ? 392 VAL A CG2 1 ATOM 2404 N N . LYS A 1 313 ? -43.344 -3.514 25.493 1.00 17.29 ? 393 LYS A N 1 ATOM 2405 C CA . LYS A 1 313 ? -42.361 -2.599 24.919 1.00 17.07 ? 393 LYS A CA 1 ATOM 2406 C C . LYS A 1 313 ? -41.633 -3.283 23.774 1.00 16.10 ? 393 LYS A C 1 ATOM 2407 O O . LYS A 1 313 ? -41.411 -4.492 23.803 1.00 16.37 ? 393 LYS A O 1 ATOM 2408 C CB . LYS A 1 313 ? -41.328 -2.160 25.960 1.00 18.69 ? 393 LYS A CB 1 ATOM 2409 C CG . LYS A 1 313 ? -41.882 -1.393 27.146 1.00 19.97 ? 393 LYS A CG 1 ATOM 2410 C CD . LYS A 1 313 ? -40.749 -0.912 28.042 1.00 22.29 ? 393 LYS A CD 1 ATOM 2411 C CE . LYS A 1 313 ? -41.269 -0.357 29.358 1.00 25.51 ? 393 LYS A CE 1 ATOM 2412 N NZ . LYS A 1 313 ? -42.216 0.771 29.152 1.00 27.96 ? 393 LYS A NZ 1 ATOM 2413 N N . LYS A 1 314 ? -41.256 -2.502 22.770 1.00 17.11 ? 394 LYS A N 1 ATOM 2414 C CA . LYS A 1 314 ? -40.415 -3.005 21.695 1.00 19.50 ? 394 LYS A CA 1 ATOM 2415 C C . LYS A 1 314 ? -39.478 -1.902 21.236 1.00 19.56 ? 394 LYS A C 1 ATOM 2416 O O . LYS A 1 314 ? -39.908 -0.776 20.995 1.00 23.14 ? 394 LYS A O 1 ATOM 2417 C CB . LYS A 1 314 ? -41.254 -3.491 20.511 1.00 22.63 ? 394 LYS A CB 1 ATOM 2418 C CG . LYS A 1 314 ? -40.416 -4.123 19.409 1.00 27.21 ? 394 LYS A CG 1 ATOM 2419 C CD . LYS A 1 314 ? -40.935 -3.783 18.023 1.00 32.76 ? 394 LYS A CD 1 ATOM 2420 C CE . LYS A 1 314 ? -42.222 -4.522 17.706 1.00 36.61 ? 394 LYS A CE 1 ATOM 2421 N NZ . LYS A 1 314 ? -42.682 -4.243 16.315 1.00 38.93 ? 394 LYS A NZ 1 ATOM 2422 N N . VAL A 1 315 ? -38.195 -2.222 21.127 1.00 16.41 ? 395 VAL A N 1 ATOM 2423 C CA . VAL A 1 315 ? -37.223 -1.254 20.638 1.00 15.37 ? 395 VAL A CA 1 ATOM 2424 C C . VAL A 1 315 ? -36.394 -1.861 19.511 1.00 13.92 ? 395 VAL A C 1 ATOM 2425 O O . VAL A 1 315 ? -35.909 -2.990 19.620 1.00 15.26 ? 395 VAL A O 1 ATOM 2426 C CB . VAL A 1 315 ? -36.305 -0.734 21.771 1.00 17.78 ? 395 VAL A CB 1 ATOM 2427 C CG1 . VAL A 1 315 ? -35.491 -1.867 22.378 1.00 20.89 ? 395 VAL A CG1 1 ATOM 2428 C CG2 . VAL A 1 315 ? -35.396 0.373 21.257 1.00 18.29 ? 395 VAL A CG2 1 ATOM 2429 N N . GLU A 1 316 ? -36.258 -1.118 18.418 1.00 13.10 ? 396 GLU A N 1 ATOM 2430 C CA . GLU A 1 316 ? -35.447 -1.562 17.294 1.00 12.95 ? 396 GLU A CA 1 ATOM 2431 C C . GLU A 1 316 ? -34.102 -0.853 17.342 1.00 13.10 ? 396 GLU A C 1 ATOM 2432 O O . GLU A 1 316 ? -34.049 0.368 17.490 1.00 13.29 ? 396 GLU A O 1 ATOM 2433 C CB . GLU A 1 316 ? -36.149 -1.263 15.969 1.00 14.06 ? 396 GLU A CB 1 ATOM 2434 C CG . GLU A 1 316 ? -35.373 -1.730 14.743 1.00 15.48 ? 396 GLU A CG 1 ATOM 2435 C CD . GLU A 1 316 ? -36.107 -1.451 13.447 1.00 18.44 ? 396 GLU A CD 1 ATOM 2436 O OE1 . GLU A 1 316 ? -35.883 -0.375 12.854 1.00 19.76 ? 396 GLU A OE1 1 ATOM 2437 O OE2 . GLU A 1 316 ? -36.911 -2.306 13.021 1.00 20.00 ? 396 GLU A OE2 1 ATOM 2438 N N . VAL A 1 317 ? -33.020 -1.618 17.232 1.00 12.24 ? 397 VAL A N 1 ATOM 2439 C CA . VAL A 1 317 ? -31.679 -1.037 17.258 1.00 11.93 ? 397 VAL A CA 1 ATOM 2440 C C . VAL A 1 317 ? -30.945 -1.224 15.932 1.00 10.86 ? 397 VAL A C 1 ATOM 2441 O O . VAL A 1 317 ? -29.836 -0.726 15.751 1.00 11.18 ? 397 VAL A O 1 ATOM 2442 C CB . VAL A 1 317 ? -30.824 -1.592 18.423 1.00 11.01 ? 397 VAL A CB 1 ATOM 2443 C CG1 . VAL A 1 317 ? -31.489 -1.284 19.758 1.00 11.79 ? 397 VAL A CG1 1 ATOM 2444 C CG2 . VAL A 1 317 ? -30.595 -3.092 18.266 1.00 11.94 ? 397 VAL A CG2 1 ATOM 2445 N N . LEU A 1 318 ? -31.575 -1.942 15.009 1.00 9.89 ? 398 LEU A N 1 ATOM 2446 C CA . LEU A 1 318 ? -31.040 -2.127 13.665 1.00 10.14 ? 398 LEU A CA 1 ATOM 2447 C C . LEU A 1 318 ? -32.203 -2.445 12.745 1.00 10.98 ? 398 LEU A C 1 ATOM 2448 O O . LEU A 1 318 ? -32.945 -3.397 12.988 1.00 11.45 ? 398 LEU A O 1 ATOM 2449 C CB . LEU A 1 318 ? -30.033 -3.279 13.632 1.00 10.06 ? 398 LEU A CB 1 ATOM 2450 C CG . LEU A 1 318 ? -29.319 -3.498 12.296 1.00 10.31 ? 398 LEU A CG 1 ATOM 2451 C CD1 . LEU A 1 318 ? -28.337 -2.363 12.038 1.00 10.42 ? 398 LEU A CD1 1 ATOM 2452 C CD2 . LEU A 1 318 ? -28.599 -4.844 12.286 1.00 12.50 ? 398 LEU A CD2 1 ATOM 2453 N N . ASN A 1 319 ? -32.379 -1.650 11.695 1.00 11.98 ? 399 ASN A N 1 ATOM 2454 C CA . ASN A 1 319 ? -33.507 -1.883 10.805 1.00 13.56 ? 399 ASN A CA 1 ATOM 2455 C C . ASN A 1 319 ? -33.282 -3.081 9.887 1.00 12.62 ? 399 ASN A C 1 ATOM 2456 O O . ASN A 1 319 ? -32.161 -3.593 9.768 1.00 12.21 ? 399 ASN A O 1 ATOM 2457 C CB . ASN A 1 319 ? -33.902 -0.616 10.035 1.00 16.52 ? 399 ASN A CB 1 ATOM 2458 C CG . ASN A 1 319 ? -32.874 -0.204 9.008 1.00 18.52 ? 399 ASN A CG 1 ATOM 2459 O OD1 . ASN A 1 319 ? -32.264 -1.044 8.349 1.00 20.42 ? 399 ASN A OD1 1 ATOM 2460 N ND2 . ASN A 1 319 ? -32.688 1.103 8.853 1.00 20.50 ? 399 ASN A ND2 1 ATOM 2461 N N . ASN A 1 320 ? -34.358 -3.531 9.253 1.00 13.70 ? 400 ASN A N 1 ATOM 2462 C CA . ASN A 1 320 ? -34.345 -4.778 8.500 1.00 14.16 ? 400 ASN A CA 1 ATOM 2463 C C . ASN A 1 320 ? -33.625 -4.687 7.157 1.00 16.57 ? 400 ASN A C 1 ATOM 2464 O O . ASN A 1 320 ? -33.536 -5.678 6.430 1.00 20.33 ? 400 ASN A O 1 ATOM 2465 C CB . ASN A 1 320 ? -35.777 -5.283 8.299 1.00 16.11 ? 400 ASN A CB 1 ATOM 2466 C CG . ASN A 1 320 ? -35.839 -6.773 8.035 1.00 18.96 ? 400 ASN A CG 1 ATOM 2467 O OD1 . ASN A 1 320 ? -34.967 -7.528 8.464 1.00 19.79 ? 400 ASN A OD1 1 ATOM 2468 N ND2 . ASN A 1 320 ? -36.880 -7.206 7.338 1.00 22.68 ? 400 ASN A ND2 1 ATOM 2469 N N . LYS A 1 321 ? -33.113 -3.504 6.829 1.00 16.63 ? 401 LYS A N 1 ATOM 2470 C CA . LYS A 1 321 ? -32.343 -3.323 5.602 1.00 18.22 ? 401 LYS A CA 1 ATOM 2471 C C . LYS A 1 321 ? -30.875 -3.644 5.850 1.00 16.46 ? 401 LYS A C 1 ATOM 2472 O O . LYS A 1 321 ? -30.049 -3.583 4.939 1.00 19.59 ? 401 LYS A O 1 ATOM 2473 C CB . LYS A 1 321 ? -32.478 -1.889 5.084 1.00 22.20 ? 401 LYS A CB 1 ATOM 2474 C CG . LYS A 1 321 ? -33.901 -1.475 4.745 1.00 27.38 ? 401 LYS A CG 1 ATOM 2475 C CD . LYS A 1 321 ? -33.960 -0.026 4.278 1.00 32.33 ? 401 LYS A CD 1 ATOM 2476 C CE . LYS A 1 321 ? -33.482 0.928 5.366 1.00 35.83 ? 401 LYS A CE 1 ATOM 2477 N NZ . LYS A 1 321 ? -33.572 2.356 4.944 1.00 37.74 ? 401 LYS A NZ 1 ATOM 2478 N N . ASN A 1 322 ? -30.553 -3.984 7.092 1.00 14.47 ? 402 ASN A N 1 ATOM 2479 C CA . ASN A 1 322 ? -29.167 -4.206 7.477 1.00 13.61 ? 402 ASN A CA 1 ATOM 2480 C C . ASN A 1 322 ? -28.933 -5.571 8.105 1.00 13.76 ? 402 ASN A C 1 ATOM 2481 O O . ASN A 1 322 ? -29.791 -6.100 8.809 1.00 14.44 ? 402 ASN A O 1 ATOM 2482 C CB . ASN A 1 322 ? -28.698 -3.101 8.425 1.00 15.00 ? 402 ASN A CB 1 ATOM 2483 C CG . ASN A 1 322 ? -28.562 -1.763 7.732 1.00 16.70 ? 402 ASN A CG 1 ATOM 2484 O OD1 . ASN A 1 322 ? -27.585 -1.516 7.032 1.00 17.64 ? 402 ASN A OD1 1 ATOM 2485 N ND2 . ASN A 1 322 ? -29.546 -0.890 7.924 1.00 18.95 ? 402 ASN A ND2 1 ATOM 2486 N N . TRP A 1 323 ? -27.758 -6.133 7.849 1.00 15.80 ? 403 TRP A N 1 ATOM 2487 C CA . TRP A 1 323 ? -27.423 -7.462 8.338 1.00 15.83 ? 403 TRP A CA 1 ATOM 2488 C C . TRP A 1 323 ? -27.130 -7.472 9.830 1.00 15.45 ? 403 TRP A C 1 ATOM 2489 O O . TRP A 1 323 ? -26.383 -6.631 10.338 1.00 16.19 ? 403 TRP A O 1 ATOM 2490 C CB . TRP A 1 323 ? -26.224 -8.022 7.573 1.00 17.74 ? 403 TRP A CB 1 ATOM 2491 C CG . TRP A 1 323 ? -26.452 -8.054 6.113 1.00 19.52 ? 403 TRP A CG 1 ATOM 2492 C CD1 . TRP A 1 323 ? -25.823 -7.300 5.165 1.00 20.45 ? 403 TRP A CD1 1 ATOM 2493 C CD2 . TRP A 1 323 ? -27.402 -8.865 5.419 1.00 20.84 ? 403 TRP A CD2 1 ATOM 2494 N NE1 . TRP A 1 323 ? -26.315 -7.604 3.919 1.00 22.34 ? 403 TRP A NE1 1 ATOM 2495 C CE2 . TRP A 1 323 ? -27.287 -8.562 4.048 1.00 21.88 ? 403 TRP A CE2 1 ATOM 2496 C CE3 . TRP A 1 323 ? -28.336 -9.823 5.823 1.00 21.76 ? 403 TRP A CE3 1 ATOM 2497 C CZ2 . TRP A 1 323 ? -28.070 -9.183 3.079 1.00 22.80 ? 403 TRP A CZ2 1 ATOM 2498 C CZ3 . TRP A 1 323 ? -29.114 -10.438 4.861 1.00 22.70 ? 403 TRP A CZ3 1 ATOM 2499 C CH2 . TRP A 1 323 ? -28.976 -10.116 3.505 1.00 22.87 ? 403 TRP A CH2 1 ATOM 2500 N N . SER A 1 324 ? -27.732 -8.427 10.531 1.00 13.31 ? 404 SER A N 1 ATOM 2501 C CA . SER A 1 324 ? -27.390 -8.666 11.924 1.00 12.04 ? 404 SER A CA 1 ATOM 2502 C C . SER A 1 324 ? -26.581 -9.952 12.041 1.00 11.34 ? 404 SER A C 1 ATOM 2503 O O . SER A 1 324 ? -25.678 -10.194 11.237 1.00 12.19 ? 404 SER A O 1 ATOM 2504 C CB . SER A 1 324 ? -28.637 -8.686 12.822 1.00 11.71 ? 404 SER A CB 1 ATOM 2505 O OG . SER A 1 324 ? -29.642 -9.553 12.326 1.00 10.97 ? 404 SER A OG 1 ATOM 2506 N N . GLY A 1 325 ? -26.895 -10.771 13.038 1.00 12.53 ? 405 GLY A N 1 ATOM 2507 C CA . GLY A 1 325 ? -26.107 -11.957 13.320 1.00 11.25 ? 405 GLY A CA 1 ATOM 2508 C C . GLY A 1 325 ? -26.356 -12.438 14.733 1.00 9.99 ? 405 GLY A C 1 ATOM 2509 O O . GLY A 1 325 ? -27.470 -12.323 15.239 1.00 11.82 ? 405 GLY A O 1 ATOM 2510 N N . TYR A 1 326 ? -25.317 -12.970 15.372 1.00 8.96 ? 406 TYR A N 1 ATOM 2511 C CA . TYR A 1 326 ? -25.421 -13.442 16.748 1.00 8.89 ? 406 TYR A CA 1 ATOM 2512 C C . TYR A 1 326 ? -25.675 -12.287 17.711 1.00 8.53 ? 406 TYR A C 1 ATOM 2513 O O . TYR A 1 326 ? -25.332 -11.143 17.431 1.00 10.73 ? 406 TYR A O 1 ATOM 2514 C CB . TYR A 1 326 ? -24.130 -14.152 17.164 1.00 9.80 ? 406 TYR A CB 1 ATOM 2515 C CG . TYR A 1 326 ? -23.996 -15.572 16.666 1.00 9.57 ? 406 TYR A CG 1 ATOM 2516 C CD1 . TYR A 1 326 ? -24.785 -16.047 15.624 1.00 11.03 ? 406 TYR A CD1 1 ATOM 2517 C CD2 . TYR A 1 326 ? -23.074 -16.438 17.239 1.00 9.82 ? 406 TYR A CD2 1 ATOM 2518 C CE1 . TYR A 1 326 ? -24.660 -17.352 15.172 1.00 12.30 ? 406 TYR A CE1 1 ATOM 2519 C CE2 . TYR A 1 326 ? -22.939 -17.737 16.796 1.00 10.60 ? 406 TYR A CE2 1 ATOM 2520 C CZ . TYR A 1 326 ? -23.738 -18.192 15.763 1.00 11.96 ? 406 TYR A CZ 1 ATOM 2521 O OH . TYR A 1 326 ? -23.612 -19.488 15.317 1.00 13.40 ? 406 TYR A OH 1 ATOM 2522 N N . SER A 1 327 ? -26.284 -12.598 18.847 1.00 8.56 ? 407 SER A N 1 ATOM 2523 C CA . SER A 1 327 ? -26.393 -11.649 19.943 1.00 8.32 ? 407 SER A CA 1 ATOM 2524 C C . SER A 1 327 ? -26.230 -12.423 21.246 1.00 8.60 ? 407 SER A C 1 ATOM 2525 O O . SER A 1 327 ? -26.502 -13.629 21.300 1.00 10.28 ? 407 SER A O 1 ATOM 2526 C CB . SER A 1 327 ? -27.726 -10.891 19.896 1.00 9.38 ? 407 SER A CB 1 ATOM 2527 O OG . SER A 1 327 ? -28.832 -11.779 19.881 1.00 10.03 ? 407 SER A OG 1 ATOM 2528 N N . GLY A 1 328 ? -25.760 -11.747 22.288 1.00 8.58 ? 408 GLY A N 1 ATOM 2529 C CA . GLY A 1 328 ? -25.486 -12.424 23.541 1.00 8.48 ? 408 GLY A CA 1 ATOM 2530 C C . GLY A 1 328 ? -25.631 -11.531 24.751 1.00 9.08 ? 408 GLY A C 1 ATOM 2531 O O . GLY A 1 328 ? -25.612 -10.307 24.640 1.00 10.35 ? 408 GLY A O 1 ATOM 2532 N N . ALA A 1 329 ? -25.755 -12.157 25.915 1.00 10.06 ? 409 ALA A N 1 ATOM 2533 C CA . ALA A 1 329 ? -25.994 -11.447 27.164 1.00 9.58 ? 409 ALA A CA 1 ATOM 2534 C C . ALA A 1 329 ? -24.738 -11.336 28.019 1.00 9.77 ? 409 ALA A C 1 ATOM 2535 O O . ALA A 1 329 ? -23.863 -12.203 27.981 1.00 11.15 ? 409 ALA A O 1 ATOM 2536 C CB . ALA A 1 329 ? -27.096 -12.149 27.952 1.00 12.24 ? 409 ALA A CB 1 ATOM 2537 N N . PHE A 1 330 ? -24.664 -10.257 28.789 1.00 9.53 ? 410 PHE A N 1 ATOM 2538 C CA . PHE A 1 330 ? -23.684 -10.122 29.861 1.00 9.13 ? 410 PHE A CA 1 ATOM 2539 C C . PHE A 1 330 ? -24.234 -9.151 30.892 1.00 10.61 ? 410 PHE A C 1 ATOM 2540 O O . PHE A 1 330 ? -25.303 -8.579 30.692 1.00 11.41 ? 410 PHE A O 1 ATOM 2541 C CB . PHE A 1 330 ? -22.307 -9.679 29.341 1.00 10.01 ? 410 PHE A CB 1 ATOM 2542 C CG . PHE A 1 330 ? -22.274 -8.291 28.753 1.00 9.27 ? 410 PHE A CG 1 ATOM 2543 C CD1 . PHE A 1 330 ? -22.738 -8.053 27.465 1.00 10.02 ? 410 PHE A CD1 1 ATOM 2544 C CD2 . PHE A 1 330 ? -21.742 -7.230 29.475 1.00 10.84 ? 410 PHE A CD2 1 ATOM 2545 C CE1 . PHE A 1 330 ? -22.689 -6.780 26.915 1.00 11.49 ? 410 PHE A CE1 1 ATOM 2546 C CE2 . PHE A 1 330 ? -21.689 -5.953 28.931 1.00 10.59 ? 410 PHE A CE2 1 ATOM 2547 C CZ . PHE A 1 330 ? -22.164 -5.728 27.648 1.00 10.53 ? 410 PHE A CZ 1 ATOM 2548 N N . THR A 1 331 ? -23.522 -8.985 32.003 1.00 10.75 ? 411 THR A N 1 ATOM 2549 C CA . THR A 1 331 ? -23.952 -8.053 33.037 1.00 11.30 ? 411 THR A CA 1 ATOM 2550 C C . THR A 1 331 ? -22.807 -7.171 33.509 1.00 12.56 ? 411 THR A C 1 ATOM 2551 O O . THR A 1 331 ? -21.638 -7.541 33.394 1.00 13.83 ? 411 THR A O 1 ATOM 2552 C CB . THR A 1 331 ? -24.551 -8.780 34.262 1.00 12.28 ? 411 THR A CB 1 ATOM 2553 O OG1 . THR A 1 331 ? -23.590 -9.700 34.792 1.00 13.16 ? 411 THR A OG1 1 ATOM 2554 C CG2 . THR A 1 331 ? -25.827 -9.526 33.885 1.00 13.42 ? 411 THR A CG2 1 ATOM 2555 N N . ILE A 1 332 ? -23.156 -6.000 34.034 1.00 12.58 ? 412 ILE A N 1 ATOM 2556 C CA . ILE A 1 332 ? -22.185 -5.109 34.650 1.00 13.07 ? 412 ILE A CA 1 ATOM 2557 C C . ILE A 1 332 ? -22.257 -5.269 36.158 1.00 14.06 ? 412 ILE A C 1 ATOM 2558 O O . ILE A 1 332 ? -23.330 -5.138 36.745 1.00 15.78 ? 412 ILE A O 1 ATOM 2559 C CB . ILE A 1 332 ? -22.476 -3.640 34.322 1.00 15.99 ? 412 ILE A CB 1 ATOM 2560 C CG1 . ILE A 1 332 ? -22.631 -3.439 32.816 1.00 20.89 ? 412 ILE A CG1 1 ATOM 2561 C CG2 . ILE A 1 332 ? -21.377 -2.755 34.872 1.00 14.85 ? 412 ILE A CG2 1 ATOM 2562 C CD1 . ILE A 1 332 ? -22.969 -2.014 32.434 1.00 23.19 ? 412 ILE A CD1 1 ATOM 2563 N N . PRO A 1 333 ? -21.115 -5.563 36.789 1.00 16.60 ? 413 PRO A N 1 ATOM 2564 C CA . PRO A 1 333 ? -21.034 -5.749 38.242 1.00 18.87 ? 413 PRO A CA 1 ATOM 2565 C C . PRO A 1 333 ? -21.340 -4.474 39.024 1.00 21.53 ? 413 PRO A C 1 ATOM 2566 O O . PRO A 1 333 ? -21.291 -3.372 38.479 1.00 21.44 ? 413 PRO A O 1 ATOM 2567 C CB . PRO A 1 333 ? -19.571 -6.151 38.463 1.00 20.67 ? 413 PRO A CB 1 ATOM 2568 C CG . PRO A 1 333 ? -19.104 -6.660 37.154 1.00 20.63 ? 413 PRO A CG 1 ATOM 2569 C CD . PRO A 1 333 ? -19.845 -5.880 36.117 1.00 17.39 ? 413 PRO A CD 1 ATOM 2570 N N . ILE A 1 334 A -21.650 -4.645 40.303 1.00 22.28 ? 413 ILE A N 1 ATOM 2571 C CA . ILE A 1 334 A -21.958 -3.543 41.201 1.00 26.65 ? 413 ILE A CA 1 ATOM 2572 C C . ILE A 1 334 A -20.760 -2.619 41.411 1.00 30.03 ? 413 ILE A C 1 ATOM 2573 O O . ILE A 1 334 A -20.924 -1.437 41.729 1.00 30.40 ? 413 ILE A O 1 ATOM 2574 C CB . ILE A 1 334 A -22.419 -4.090 42.574 1.00 28.46 ? 413 ILE A CB 1 ATOM 2575 C CG1 . ILE A 1 334 A -23.930 -3.936 42.735 1.00 32.14 ? 413 ILE A CG1 1 ATOM 2576 C CG2 . ILE A 1 334 A -21.688 -3.400 43.712 1.00 31.29 ? 413 ILE A CG2 1 ATOM 2577 C CD1 . ILE A 1 334 A -24.728 -4.679 41.709 1.00 31.48 ? 413 ILE A CD1 1 ATOM 2578 N N . THR A 1 335 B -19.562 -3.164 41.222 1.00 33.14 ? 413 THR A N 1 ATOM 2579 C CA . THR A 1 335 B -18.322 -2.471 41.565 1.00 38.51 ? 413 THR A CA 1 ATOM 2580 C C . THR A 1 335 B -17.967 -1.301 40.650 1.00 43.19 ? 413 THR A C 1 ATOM 2581 O O . THR A 1 335 B -16.882 -0.731 40.760 1.00 44.07 ? 413 THR A O 1 ATOM 2582 C CB . THR A 1 335 B -17.125 -3.445 41.609 1.00 39.66 ? 413 THR A CB 1 ATOM 2583 O OG1 . THR A 1 335 B -17.067 -4.193 40.388 1.00 39.80 ? 413 THR A OG1 1 ATOM 2584 C CG2 . THR A 1 335 B -17.257 -4.407 42.783 1.00 40.51 ? 413 THR A CG2 1 ATOM 2585 N N . MET A 1 336 C -18.877 -0.943 39.752 1.00 46.32 ? 413 MET A N 1 ATOM 2586 C CA . MET A 1 336 C -18.661 0.199 38.870 1.00 49.65 ? 413 MET A CA 1 ATOM 2587 C C . MET A 1 336 C -19.918 1.049 38.777 1.00 45.48 ? 413 MET A C 1 ATOM 2588 O O . MET A 1 336 C -19.860 2.228 38.428 1.00 46.26 ? 413 MET A O 1 ATOM 2589 C CB . MET A 1 336 C -18.260 -0.268 37.475 1.00 55.83 ? 413 MET A CB 1 ATOM 2590 C CG . MET A 1 336 C -19.228 -1.264 36.883 1.00 61.29 ? 413 MET A CG 1 ATOM 2591 S SD . MET A 1 336 C -18.709 -2.958 37.187 1.00 66.08 ? 413 MET A SD 1 ATOM 2592 C CE . MET A 1 336 C -17.567 -3.194 35.831 1.00 67.09 ? 413 MET A CE 1 ATOM 2593 N N . THR A 1 337 D -21.056 0.440 39.085 1.00 39.59 ? 413 THR A N 1 ATOM 2594 C CA . THR A 1 337 D -22.324 1.147 39.049 1.00 34.62 ? 413 THR A CA 1 ATOM 2595 C C . THR A 1 337 D -22.732 1.549 40.461 1.00 34.68 ? 413 THR A C 1 ATOM 2596 O O . THR A 1 337 D -22.197 1.036 41.444 1.00 37.45 ? 413 THR A O 1 ATOM 2597 C CB . THR A 1 337 D -23.439 0.282 38.428 1.00 32.21 ? 413 THR A CB 1 ATOM 2598 O OG1 . THR A 1 337 D -23.804 -0.756 39.344 1.00 30.96 ? 413 THR A OG1 1 ATOM 2599 C CG2 . THR A 1 337 D -22.972 -0.340 37.113 1.00 32.90 ? 413 THR A CG2 1 ATOM 2600 N N . SER A 1 338 ? -23.679 2.474 40.550 1.00 31.08 ? 414 SER A N 1 ATOM 2601 C CA . SER A 1 338 ? -24.227 2.918 41.824 1.00 29.90 ? 414 SER A CA 1 ATOM 2602 C C . SER A 1 338 ? -25.517 2.167 42.113 1.00 31.03 ? 414 SER A C 1 ATOM 2603 O O . SER A 1 338 ? -26.487 2.745 42.607 1.00 32.58 ? 414 SER A O 1 ATOM 2604 C CB . SER A 1 338 ? -24.511 4.422 41.789 1.00 28.87 ? 414 SER A CB 1 ATOM 2605 O OG . SER A 1 338 ? -23.315 5.173 41.682 1.00 28.01 ? 414 SER A OG 1 ATOM 2606 N N . LYS A 1 339 ? -25.529 0.876 41.796 1.00 30.59 ? 415 LYS A N 1 ATOM 2607 C CA . LYS A 1 339 ? -26.740 0.077 41.938 1.00 30.50 ? 415 LYS A CA 1 ATOM 2608 C C . LYS A 1 339 ? -26.566 -1.098 42.892 1.00 28.63 ? 415 LYS A C 1 ATOM 2609 O O . LYS A 1 339 ? -25.446 -1.475 43.233 1.00 28.30 ? 415 LYS A O 1 ATOM 2610 C CB . LYS A 1 339 ? -27.215 -0.413 40.570 1.00 31.10 ? 415 LYS A CB 1 ATOM 2611 C CG . LYS A 1 339 ? -27.451 0.718 39.582 1.00 33.60 ? 415 LYS A CG 1 ATOM 2612 C CD . LYS A 1 339 ? -28.386 0.313 38.459 1.00 35.34 ? 415 LYS A CD 1 ATOM 2613 C CE . LYS A 1 339 ? -28.929 1.547 37.747 1.00 37.70 ? 415 LYS A CE 1 ATOM 2614 N NZ . LYS A 1 339 ? -29.906 1.204 36.677 1.00 40.02 ? 415 LYS A NZ 1 ATOM 2615 N N . GLN A 1 340 ? -27.690 -1.662 43.324 1.00 26.79 ? 416 GLN A N 1 ATOM 2616 C CA . GLN A 1 340 ? -27.692 -2.827 44.195 1.00 26.14 ? 416 GLN A CA 1 ATOM 2617 C C . GLN A 1 340 ? -28.158 -4.041 43.408 1.00 22.28 ? 416 GLN A C 1 ATOM 2618 O O . GLN A 1 340 ? -28.521 -5.066 43.981 1.00 22.61 ? 416 GLN A O 1 ATOM 2619 C CB . GLN A 1 340 ? -28.624 -2.596 45.384 1.00 29.57 ? 416 GLN A CB 1 ATOM 2620 C CG . GLN A 1 340 ? -28.422 -1.256 46.065 1.00 35.26 ? 416 GLN A CG 1 ATOM 2621 C CD . GLN A 1 340 ? -26.997 -1.061 46.532 1.00 39.86 ? 416 GLN A CD 1 ATOM 2622 O OE1 . GLN A 1 340 ? -26.358 -1.996 47.017 1.00 41.63 ? 416 GLN A OE1 1 ATOM 2623 N NE2 . GLN A 1 340 ? -26.489 0.159 46.391 1.00 41.37 ? 416 GLN A NE2 1 ATOM 2624 N N . CYS A 1 341 ? -28.150 -3.910 42.087 1.00 19.70 ? 417 CYS A N 1 ATOM 2625 C CA . CYS A 1 341 ? -28.583 -4.979 41.201 1.00 16.97 ? 417 CYS A CA 1 ATOM 2626 C C . CYS A 1 341 ? -27.652 -5.044 39.998 1.00 14.86 ? 417 CYS A C 1 ATOM 2627 O O . CYS A 1 341 ? -26.933 -4.083 39.711 1.00 15.89 ? 417 CYS A O 1 ATOM 2628 C CB . CYS A 1 341 ? -30.029 -4.753 40.752 1.00 17.96 ? 417 CYS A CB 1 ATOM 2629 S SG . CYS A 1 341 ? -30.328 -3.172 39.905 1.00 22.20 ? 417 CYS A SG 1 ATOM 2630 N N . LEU A 1 342 ? -27.669 -6.173 39.297 1.00 13.02 ? 418 LEU A N 1 ATOM 2631 C CA . LEU A 1 342 ? -26.776 -6.389 38.164 1.00 12.55 ? 418 LEU A CA 1 ATOM 2632 C C . LEU A 1 342 ? -27.405 -5.874 36.874 1.00 13.07 ? 418 LEU A C 1 ATOM 2633 O O . LEU A 1 342 ? -28.522 -6.247 36.530 1.00 13.80 ? 418 LEU A O 1 ATOM 2634 C CB . LEU A 1 342 ? -26.435 -7.874 38.032 1.00 14.07 ? 418 LEU A CB 1 ATOM 2635 C CG . LEU A 1 342 ? -25.942 -8.542 39.317 1.00 14.98 ? 418 LEU A CG 1 ATOM 2636 C CD1 . LEU A 1 342 ? -25.592 -10.003 39.079 1.00 15.83 ? 418 LEU A CD1 1 ATOM 2637 C CD2 . LEU A 1 342 ? -24.748 -7.787 39.892 1.00 16.68 ? 418 LEU A CD2 1 ATOM 2638 N N . VAL A 1 343 ? -26.681 -5.019 36.159 1.00 11.91 ? 419 VAL A N 1 ATOM 2639 C CA . VAL A 1 343 ? -27.220 -4.401 34.950 1.00 11.69 ? 419 VAL A CA 1 ATOM 2640 C C . VAL A 1 343 ? -27.144 -5.351 33.757 1.00 11.82 ? 419 VAL A C 1 ATOM 2641 O O . VAL A 1 343 ? -26.063 -5.812 33.399 1.00 12.54 ? 419 VAL A O 1 ATOM 2642 C CB . VAL A 1 343 ? -26.483 -3.086 34.619 1.00 13.21 ? 419 VAL A CB 1 ATOM 2643 C CG1 . VAL A 1 343 ? -26.963 -2.513 33.293 1.00 13.95 ? 419 VAL A CG1 1 ATOM 2644 C CG2 . VAL A 1 343 ? -26.671 -2.074 35.741 1.00 14.62 ? 419 VAL A CG2 1 ATOM 2645 N N . PRO A 1 344 ? -28.300 -5.655 33.142 1.00 10.74 ? 420 PRO A N 1 ATOM 2646 C CA . PRO A 1 344 ? -28.320 -6.524 31.961 1.00 10.65 ? 420 PRO A CA 1 ATOM 2647 C C . PRO A 1 344 ? -27.888 -5.783 30.696 1.00 10.54 ? 420 PRO A C 1 ATOM 2648 O O . PRO A 1 344 ? -28.379 -4.686 30.412 1.00 12.10 ? 420 PRO A O 1 ATOM 2649 C CB . PRO A 1 344 ? -29.790 -6.934 31.860 1.00 13.02 ? 420 PRO A CB 1 ATOM 2650 C CG . PRO A 1 344 ? -30.529 -5.773 32.434 1.00 12.20 ? 420 PRO A CG 1 ATOM 2651 C CD . PRO A 1 344 ? -29.656 -5.238 33.544 1.00 12.51 ? 420 PRO A CD 1 ATOM 2652 N N . CYS A 1 345 ? -26.973 -6.386 29.948 1.00 10.48 ? 421 CYS A N 1 ATOM 2653 C CA . CYS A 1 345 ? -26.495 -5.811 28.693 1.00 10.76 ? 421 CYS A CA 1 ATOM 2654 C C . CYS A 1 345 ? -26.474 -6.878 27.615 1.00 9.58 ? 421 CYS A C 1 ATOM 2655 O O . CYS A 1 345 ? -26.412 -8.070 27.912 1.00 10.52 ? 421 CYS A O 1 ATOM 2656 C CB . CYS A 1 345 ? -25.079 -5.259 28.846 1.00 10.88 ? 421 CYS A CB 1 ATOM 2657 S SG . CYS A 1 345 ? -24.858 -4.047 30.151 1.00 11.98 ? 421 CYS A SG 1 ATOM 2658 N N . PHE A 1 346 ? -26.514 -6.447 26.360 1.00 8.97 ? 422 PHE A N 1 ATOM 2659 C CA . PHE A 1 346 ? -26.331 -7.371 25.252 1.00 9.00 ? 422 PHE A CA 1 ATOM 2660 C C . PHE A 1 346 ? -25.428 -6.788 24.175 1.00 9.77 ? 422 PHE A C 1 ATOM 2661 O O . PHE A 1 346 ? -25.297 -5.568 24.037 1.00 10.04 ? 422 PHE A O 1 ATOM 2662 C CB . PHE A 1 346 ? -27.673 -7.826 24.658 1.00 9.54 ? 422 PHE A CB 1 ATOM 2663 C CG . PHE A 1 346 ? -28.403 -6.760 23.890 1.00 9.29 ? 422 PHE A CG 1 ATOM 2664 C CD1 . PHE A 1 346 ? -29.293 -5.912 24.532 1.00 10.29 ? 422 PHE A CD1 1 ATOM 2665 C CD2 . PHE A 1 346 ? -28.221 -6.622 22.519 1.00 10.63 ? 422 PHE A CD2 1 ATOM 2666 C CE1 . PHE A 1 346 ? -29.975 -4.935 23.824 1.00 10.78 ? 422 PHE A CE1 1 ATOM 2667 C CE2 . PHE A 1 346 ? -28.901 -5.649 21.809 1.00 11.64 ? 422 PHE A CE2 1 ATOM 2668 C CZ . PHE A 1 346 ? -29.778 -4.804 22.464 1.00 11.49 ? 422 PHE A CZ 1 ATOM 2669 N N . TRP A 1 347 ? -24.787 -7.677 23.428 1.00 9.54 ? 423 TRP A N 1 ATOM 2670 C CA . TRP A 1 347 ? -24.045 -7.279 22.247 1.00 9.07 ? 423 TRP A CA 1 ATOM 2671 C C . TRP A 1 347 ? -24.760 -7.813 21.018 1.00 8.96 ? 423 TRP A C 1 ATOM 2672 O O . TRP A 1 347 ? -25.450 -8.835 21.079 1.00 9.18 ? 423 TRP A O 1 ATOM 2673 C CB . TRP A 1 347 ? -22.604 -7.797 22.298 1.00 9.98 ? 423 TRP A CB 1 ATOM 2674 C CG . TRP A 1 347 ? -22.489 -9.273 22.577 1.00 9.72 ? 423 TRP A CG 1 ATOM 2675 C CD1 . TRP A 1 347 ? -22.366 -9.867 23.802 1.00 10.66 ? 423 TRP A CD1 1 ATOM 2676 C CD2 . TRP A 1 347 ? -22.477 -10.337 21.612 1.00 9.39 ? 423 TRP A CD2 1 ATOM 2677 N NE1 . TRP A 1 347 ? -22.287 -11.232 23.659 1.00 9.15 ? 423 TRP A NE1 1 ATOM 2678 C CE2 . TRP A 1 347 ? -22.350 -11.546 22.328 1.00 9.33 ? 423 TRP A CE2 1 ATOM 2679 C CE3 . TRP A 1 347 ? -22.566 -10.384 20.217 1.00 9.64 ? 423 TRP A CE3 1 ATOM 2680 C CZ2 . TRP A 1 347 ? -22.310 -12.790 21.692 1.00 10.19 ? 423 TRP A CZ2 1 ATOM 2681 C CZ3 . TRP A 1 347 ? -22.522 -11.619 19.590 1.00 10.75 ? 423 TRP A CZ3 1 ATOM 2682 C CH2 . TRP A 1 347 ? -22.392 -12.805 20.328 1.00 11.14 ? 423 TRP A CH2 1 ATOM 2683 N N . LEU A 1 348 ? -24.594 -7.102 19.909 1.00 9.27 ? 424 LEU A N 1 ATOM 2684 C CA . LEU A 1 348 ? -25.182 -7.479 18.636 1.00 9.58 ? 424 LEU A CA 1 ATOM 2685 C C . LEU A 1 348 ? -24.086 -7.564 17.588 1.00 8.66 ? 424 LEU A C 1 ATOM 2686 O O . LEU A 1 348 ? -23.305 -6.621 17.407 1.00 10.88 ? 424 LEU A O 1 ATOM 2687 C CB . LEU A 1 348 ? -26.227 -6.448 18.203 1.00 10.28 ? 424 LEU A CB 1 ATOM 2688 C CG . LEU A 1 348 ? -26.851 -6.677 16.824 1.00 11.44 ? 424 LEU A CG 1 ATOM 2689 C CD1 . LEU A 1 348 ? -27.575 -8.018 16.781 1.00 12.48 ? 424 LEU A CD1 1 ATOM 2690 C CD2 . LEU A 1 348 ? -27.784 -5.532 16.460 1.00 13.15 ? 424 LEU A CD2 1 ATOM 2691 N N . GLU A 1 349 ? -24.027 -8.704 16.910 1.00 8.38 ? 425 GLU A N 1 ATOM 2692 C CA . GLU A 1 349 ? -23.080 -8.922 15.829 1.00 9.38 ? 425 GLU A CA 1 ATOM 2693 C C . GLU A 1 349 ? -23.731 -8.570 14.497 1.00 10.63 ? 425 GLU A C 1 ATOM 2694 O O . GLU A 1 349 ? -24.873 -8.942 14.237 1.00 10.99 ? 425 GLU A O 1 ATOM 2695 C CB . GLU A 1 349 ? -22.632 -10.383 15.815 1.00 12.05 ? 425 GLU A CB 1 ATOM 2696 C CG . GLU A 1 349 ? -21.729 -10.730 14.651 1.00 12.01 ? 425 GLU A CG 1 ATOM 2697 C CD . GLU A 1 349 ? -21.432 -12.213 14.548 1.00 11.50 ? 425 GLU A CD 1 ATOM 2698 O OE1 . GLU A 1 349 ? -22.376 -13.030 14.632 1.00 11.90 ? 425 GLU A OE1 1 ATOM 2699 O OE2 . GLU A 1 349 ? -20.250 -12.559 14.357 1.00 11.97 ? 425 GLU A OE2 1 ATOM 2700 N N . MET A 1 350 ? -23.002 -7.847 13.658 1.00 9.13 ? 426 MET A N 1 ATOM 2701 C CA . MET A 1 350 ? -23.500 -7.480 12.342 1.00 9.02 ? 426 MET A CA 1 ATOM 2702 C C . MET A 1 350 ? -22.546 -8.027 11.289 1.00 8.57 ? 426 MET A C 1 ATOM 2703 O O . MET A 1 350 ? -21.435 -7.524 11.116 1.00 10.46 ? 426 MET A O 1 ATOM 2704 C CB . MET A 1 350 ? -23.664 -5.963 12.244 1.00 10.05 ? 426 MET A CB 1 ATOM 2705 C CG . MET A 1 350 ? -24.690 -5.437 13.243 1.00 11.43 ? 426 MET A CG 1 ATOM 2706 S SD . MET A 1 350 ? -24.906 -3.652 13.238 1.00 12.05 ? 426 MET A SD 1 ATOM 2707 C CE . MET A 1 350 ? -23.359 -3.106 13.959 1.00 13.37 ? 426 MET A CE 1 ATOM 2708 N N . ILE A 1 351 ? -22.986 -9.081 10.609 1.00 9.62 ? 427 ILE A N 1 ATOM 2709 C CA . ILE A 1 351 ? -22.125 -9.837 9.709 1.00 10.03 ? 427 ILE A CA 1 ATOM 2710 C C . ILE A 1 351 ? -22.082 -9.209 8.320 1.00 10.84 ? 427 ILE A C 1 ATOM 2711 O O . ILE A 1 351 ? -23.119 -8.849 7.764 1.00 13.20 ? 427 ILE A O 1 ATOM 2712 C CB . ILE A 1 351 ? -22.604 -11.299 9.586 1.00 10.38 ? 427 ILE A CB 1 ATOM 2713 C CG1 . ILE A 1 351 ? -22.641 -11.969 10.961 1.00 11.37 ? 427 ILE A CG1 1 ATOM 2714 C CG2 . ILE A 1 351 ? -21.710 -12.080 8.627 1.00 12.52 ? 427 ILE A CG2 1 ATOM 2715 C CD1 . ILE A 1 351 ? -23.381 -13.293 10.975 1.00 12.80 ? 427 ILE A CD1 1 ATOM 2716 N N . ARG A 1 352 ? -20.877 -9.077 7.769 1.00 10.74 ? 428 ARG A N 1 ATOM 2717 C CA . ARG A 1 352 ? -20.694 -8.572 6.410 1.00 10.83 ? 428 ARG A CA 1 ATOM 2718 C C . ARG A 1 352 ? -19.926 -9.587 5.572 1.00 11.76 ? 428 ARG A C 1 ATOM 2719 O O . ARG A 1 352 ? -19.118 -10.358 6.100 1.00 12.75 ? 428 ARG A O 1 ATOM 2720 C CB . ARG A 1 352 ? -19.943 -7.237 6.413 1.00 10.63 ? 428 ARG A CB 1 ATOM 2721 C CG . ARG A 1 352 ? -20.603 -6.126 7.229 1.00 11.23 ? 428 ARG A CG 1 ATOM 2722 C CD . ARG A 1 352 ? -22.010 -5.809 6.740 1.00 10.82 ? 428 ARG A CD 1 ATOM 2723 N NE . ARG A 1 352 ? -22.056 -5.473 5.319 1.00 11.40 ? 428 ARG A NE 1 ATOM 2724 C CZ . ARG A 1 352 ? -21.802 -4.267 4.819 1.00 12.19 ? 428 ARG A CZ 1 ATOM 2725 N NH1 . ARG A 1 352 ? -21.473 -3.259 5.621 1.00 12.51 ? 428 ARG A NH1 1 ATOM 2726 N NH2 . ARG A 1 352 ? -21.883 -4.067 3.511 1.00 13.52 ? 428 ARG A NH2 1 ATOM 2727 N N . GLY A 1 353 ? -20.173 -9.583 4.267 1.00 12.96 ? 429 GLY A N 1 ATOM 2728 C CA . GLY A 1 353 ? -19.510 -10.508 3.367 1.00 14.15 ? 429 GLY A CA 1 ATOM 2729 C C . GLY A 1 353 ? -20.348 -11.750 3.124 1.00 17.87 ? 429 GLY A C 1 ATOM 2730 O O . GLY A 1 353 ? -21.578 -11.687 3.112 1.00 20.38 ? 429 GLY A O 1 ATOM 2731 N N . LYS A 1 354 ? -19.687 -12.885 2.929 1.00 19.57 ? 430 LYS A N 1 ATOM 2732 C CA . LYS A 1 354 ? -20.400 -14.144 2.731 1.00 21.79 ? 430 LYS A CA 1 ATOM 2733 C C . LYS A 1 354 ? -21.139 -14.533 4.007 1.00 21.74 ? 430 LYS A C 1 ATOM 2734 O O . LYS A 1 354 ? -20.688 -14.212 5.103 1.00 23.06 ? 430 LYS A O 1 ATOM 2735 C CB . LYS A 1 354 ? -19.428 -15.251 2.315 1.00 24.16 ? 430 LYS A CB 1 ATOM 2736 C CG . LYS A 1 354 ? -19.002 -15.187 0.857 1.00 26.84 ? 430 LYS A CG 1 ATOM 2737 C CD . LYS A 1 354 ? -18.120 -16.369 0.488 1.00 30.09 ? 430 LYS A CD 1 ATOM 2738 C CE . LYS A 1 354 ? -18.182 -16.656 -1.004 1.00 32.60 ? 430 LYS A CE 1 ATOM 2739 N NZ . LYS A 1 354 ? -17.898 -15.444 -1.820 1.00 33.32 ? 430 LYS A NZ 1 ATOM 2740 N N . PRO A 1 355 ? -22.269 -15.248 3.877 1.00 22.86 ? 431 PRO A N 1 ATOM 2741 C CA . PRO A 1 355 ? -22.860 -15.775 2.643 1.00 24.15 ? 431 PRO A CA 1 ATOM 2742 C C . PRO A 1 355 ? -23.788 -14.797 1.925 1.00 24.99 ? 431 PRO A C 1 ATOM 2743 O O . PRO A 1 355 ? -24.070 -15.000 0.747 1.00 26.15 ? 431 PRO A O 1 ATOM 2744 C CB . PRO A 1 355 ? -23.693 -16.971 3.136 1.00 25.41 ? 431 PRO A CB 1 ATOM 2745 C CG . PRO A 1 355 ? -23.429 -17.090 4.624 1.00 27.32 ? 431 PRO A CG 1 ATOM 2746 C CD . PRO A 1 355 ? -22.983 -15.740 5.064 1.00 25.25 ? 431 PRO A CD 1 ATOM 2747 N N . GLU A 1 356 ? -24.266 -13.767 2.619 1.00 23.76 ? 432 GLU A N 1 ATOM 2748 C CA . GLU A 1 356 ? -25.276 -12.872 2.050 1.00 23.87 ? 432 GLU A CA 1 ATOM 2749 C C . GLU A 1 356 ? -24.734 -11.952 0.957 1.00 22.75 ? 432 GLU A C 1 ATOM 2750 O O . GLU A 1 356 ? -25.447 -11.605 0.016 1.00 25.12 ? 432 GLU A O 1 ATOM 2751 C CB . GLU A 1 356 ? -25.946 -12.041 3.149 1.00 25.00 ? 432 GLU A CB 1 ATOM 2752 C CG . GLU A 1 356 ? -26.710 -12.862 4.176 1.00 28.11 ? 432 GLU A CG 1 ATOM 2753 C CD . GLU A 1 356 ? -27.905 -13.590 3.586 1.00 31.27 ? 432 GLU A CD 1 ATOM 2754 O OE1 . GLU A 1 356 ? -28.224 -13.368 2.397 1.00 31.59 ? 432 GLU A OE1 1 ATOM 2755 O OE2 . GLU A 1 356 ? -28.531 -14.385 4.317 1.00 34.39 ? 432 GLU A OE2 1 ATOM 2756 N N . GLU A 1 357 ? -23.477 -11.548 1.088 1.00 21.45 ? 433 GLU A N 1 ATOM 2757 C CA . GLU A 1 357 ? -22.867 -10.651 0.116 1.00 19.67 ? 433 GLU A CA 1 ATOM 2758 C C . GLU A 1 357 ? -21.786 -11.397 -0.662 1.00 24.28 ? 433 GLU A C 1 ATOM 2759 O O . GLU A 1 357 ? -20.612 -11.389 -0.290 1.00 25.65 ? 433 GLU A O 1 ATOM 2760 C CB . GLU A 1 357 ? -22.320 -9.411 0.826 1.00 19.46 ? 433 GLU A CB 1 ATOM 2761 C CG . GLU A 1 357 ? -23.407 -8.668 1.607 1.00 19.02 ? 433 GLU A CG 1 ATOM 2762 C CD . GLU A 1 357 ? -22.866 -7.564 2.495 1.00 18.66 ? 433 GLU A CD 1 ATOM 2763 O OE1 . GLU A 1 357 ? -22.452 -7.868 3.632 1.00 15.82 ? 433 GLU A OE1 1 ATOM 2764 O OE2 . GLU A 1 357 ? -22.869 -6.391 2.062 1.00 20.89 ? 433 GLU A OE2 1 ATOM 2765 N N . ARG A 1 358 ? -22.205 -12.040 -1.750 1.00 25.66 ? 434 ARG A N 1 ATOM 2766 C CA . ARG A 1 358 ? -21.373 -13.010 -2.463 1.00 29.14 ? 434 ARG A CA 1 ATOM 2767 C C . ARG A 1 358 ? -20.275 -12.398 -3.332 1.00 27.89 ? 434 ARG A C 1 ATOM 2768 O O . ARG A 1 358 ? -19.423 -13.119 -3.854 1.00 28.96 ? 434 ARG A O 1 ATOM 2769 C CB . ARG A 1 358 ? -22.241 -13.940 -3.321 1.00 35.25 ? 434 ARG A CB 1 ATOM 2770 C CG . ARG A 1 358 ? -23.258 -14.768 -2.548 1.00 41.07 ? 434 ARG A CG 1 ATOM 2771 C CD . ARG A 1 358 ? -24.450 -13.929 -2.116 1.00 46.10 ? 434 ARG A CD 1 ATOM 2772 N NE . ARG A 1 358 ? -25.715 -14.626 -2.334 1.00 49.92 ? 434 ARG A NE 1 ATOM 2773 C CZ . ARG A 1 358 ? -26.418 -14.558 -3.460 1.00 52.43 ? 434 ARG A CZ 1 ATOM 2774 N NH1 . ARG A 1 358 ? -25.979 -13.822 -4.473 1.00 53.33 ? 434 ARG A NH1 1 ATOM 2775 N NH2 . ARG A 1 358 ? -27.559 -15.224 -3.575 1.00 53.52 ? 434 ARG A NH2 1 ATOM 2776 N N . THR A 1 359 ? -20.298 -11.081 -3.501 1.00 26.21 ? 435 THR A N 1 ATOM 2777 C CA . THR A 1 359 ? -19.254 -10.409 -4.268 1.00 25.07 ? 435 THR A CA 1 ATOM 2778 C C . THR A 1 359 ? -18.000 -10.171 -3.421 1.00 22.38 ? 435 THR A C 1 ATOM 2779 O O . THR A 1 359 ? -16.999 -9.642 -3.905 1.00 25.34 ? 435 THR A O 1 ATOM 2780 C CB . THR A 1 359 ? -19.752 -9.083 -4.877 1.00 26.46 ? 435 THR A CB 1 ATOM 2781 O OG1 . THR A 1 359 ? -20.391 -8.297 -3.865 1.00 28.77 ? 435 THR A OG1 1 ATOM 2782 C CG2 . THR A 1 359 ? -20.749 -9.358 -5.994 1.00 27.14 ? 435 THR A CG2 1 ATOM 2783 N N . SER A 1 360 ? -18.059 -10.571 -2.156 1.00 18.32 ? 436 SER A N 1 ATOM 2784 C CA . SER A 1 360 ? -16.886 -10.515 -1.290 1.00 15.26 ? 436 SER A CA 1 ATOM 2785 C C . SER A 1 360 ? -16.359 -11.920 -1.039 1.00 15.94 ? 436 SER A C 1 ATOM 2786 O O . SER A 1 360 ? -17.127 -12.880 -1.019 1.00 17.60 ? 436 SER A O 1 ATOM 2787 C CB . SER A 1 360 ? -17.215 -9.820 0.034 1.00 16.94 ? 436 SER A CB 1 ATOM 2788 O OG . SER A 1 360 ? -17.397 -8.425 -0.155 1.00 17.78 ? 436 SER A OG 1 ATOM 2789 N N . ILE A 1 361 ? -15.048 -12.036 -0.852 1.00 14.79 ? 437 ILE A N 1 ATOM 2790 C CA . ILE A 1 361 ? -14.409 -13.337 -0.684 1.00 13.84 ? 437 ILE A CA 1 ATOM 2791 C C . ILE A 1 361 ? -14.276 -13.709 0.790 1.00 13.99 ? 437 ILE A C 1 ATOM 2792 O O . ILE A 1 361 ? -13.865 -14.819 1.126 1.00 14.02 ? 437 ILE A O 1 ATOM 2793 C CB . ILE A 1 361 ? -13.013 -13.365 -1.349 1.00 14.05 ? 437 ILE A CB 1 ATOM 2794 C CG1 . ILE A 1 361 ? -12.041 -12.437 -0.613 1.00 15.39 ? 437 ILE A CG1 1 ATOM 2795 C CG2 . ILE A 1 361 ? -13.115 -12.967 -2.815 1.00 16.06 ? 437 ILE A CG2 1 ATOM 2796 C CD1 . ILE A 1 361 ? -10.626 -12.477 -1.161 1.00 17.65 ? 437 ILE A CD1 1 ATOM 2797 N N . TRP A 1 362 ? -14.649 -12.775 1.658 1.00 12.63 ? 438 TRP A N 1 ATOM 2798 C CA . TRP A 1 362 ? -14.419 -12.893 3.091 1.00 11.47 ? 438 TRP A CA 1 ATOM 2799 C C . TRP A 1 362 ? -15.707 -12.713 3.882 1.00 12.60 ? 438 TRP A C 1 ATOM 2800 O O . TRP A 1 362 ? -16.736 -12.300 3.342 1.00 13.35 ? 438 TRP A O 1 ATOM 2801 C CB . TRP A 1 362 ? -13.417 -11.822 3.529 1.00 11.49 ? 438 TRP A CB 1 ATOM 2802 C CG . TRP A 1 362 ? -13.821 -10.446 3.078 1.00 10.78 ? 438 TRP A CG 1 ATOM 2803 C CD1 . TRP A 1 362 ? -13.547 -9.867 1.872 1.00 11.22 ? 438 TRP A CD1 1 ATOM 2804 C CD2 . TRP A 1 362 ? -14.589 -9.487 3.818 1.00 10.38 ? 438 TRP A CD2 1 ATOM 2805 N NE1 . TRP A 1 362 ? -14.089 -8.606 1.817 1.00 11.53 ? 438 TRP A NE1 1 ATOM 2806 C CE2 . TRP A 1 362 ? -14.733 -8.347 2.999 1.00 10.58 ? 438 TRP A CE2 1 ATOM 2807 C CE3 . TRP A 1 362 ? -15.167 -9.481 5.092 1.00 10.81 ? 438 TRP A CE3 1 ATOM 2808 C CZ2 . TRP A 1 362 ? -15.430 -7.213 3.412 1.00 11.53 ? 438 TRP A CZ2 1 ATOM 2809 C CZ3 . TRP A 1 362 ? -15.858 -8.351 5.503 1.00 11.46 ? 438 TRP A CZ3 1 ATOM 2810 C CH2 . TRP A 1 362 ? -15.985 -7.234 4.663 1.00 12.11 ? 438 TRP A CH2 1 ATOM 2811 N N . THR A 1 363 ? -15.636 -13.023 5.171 1.00 11.11 ? 439 THR A N 1 ATOM 2812 C CA . THR A 1 363 ? -16.740 -12.772 6.089 1.00 12.54 ? 439 THR A CA 1 ATOM 2813 C C . THR A 1 363 ? -16.183 -12.205 7.382 1.00 11.64 ? 439 THR A C 1 ATOM 2814 O O . THR A 1 363 ? -15.263 -12.775 7.959 1.00 14.45 ? 439 THR A O 1 ATOM 2815 C CB . THR A 1 363 ? -17.499 -14.066 6.443 1.00 15.95 ? 439 THR A CB 1 ATOM 2816 O OG1 . THR A 1 363 ? -18.028 -14.661 5.253 1.00 18.47 ? 439 THR A OG1 1 ATOM 2817 C CG2 . THR A 1 363 ? -18.635 -13.770 7.420 1.00 17.61 ? 439 THR A CG2 1 ATOM 2818 N N . SER A 1 364 ? -16.729 -11.083 7.836 1.00 10.03 ? 440 SER A N 1 ATOM 2819 C CA . SER A 1 364 ? -16.392 -10.582 9.162 1.00 9.64 ? 440 SER A CA 1 ATOM 2820 C C . SER A 1 364 ? -17.637 -10.011 9.819 1.00 9.88 ? 440 SER A C 1 ATOM 2821 O O . SER A 1 364 ? -18.730 -10.087 9.263 1.00 11.30 ? 440 SER A O 1 ATOM 2822 C CB . SER A 1 364 ? -15.289 -9.522 9.093 1.00 9.65 ? 440 SER A CB 1 ATOM 2823 O OG . SER A 1 364 ? -14.708 -9.324 10.373 1.00 10.47 ? 440 SER A OG 1 ATOM 2824 N N . SER A 1 365 ? -17.481 -9.455 11.012 1.00 9.72 ? 441 SER A N 1 ATOM 2825 C CA . SER A 1 365 ? -18.594 -8.786 11.659 1.00 9.06 ? 441 SER A CA 1 ATOM 2826 C C . SER A 1 365 ? -18.086 -7.653 12.527 1.00 10.16 ? 441 SER A C 1 ATOM 2827 O O . SER A 1 365 ? -16.909 -7.616 12.888 1.00 10.96 ? 441 SER A O 1 ATOM 2828 C CB . SER A 1 365 ? -19.429 -9.774 12.482 1.00 9.20 ? 441 SER A CB 1 ATOM 2829 O OG . SER A 1 365 ? -18.679 -10.336 13.549 1.00 11.10 ? 441 SER A OG 1 ATOM 2830 N N . SER A 1 366 ? -18.971 -6.713 12.831 1.00 10.28 ? 442 SER A N 1 ATOM 2831 C CA . SER A 1 366 ? -18.677 -5.686 13.820 1.00 9.59 ? 442 SER A CA 1 ATOM 2832 C C . SER A 1 366 ? -19.802 -5.716 14.840 1.00 9.63 ? 442 SER A C 1 ATOM 2833 O O . SER A 1 366 ? -20.749 -6.486 14.695 1.00 11.92 ? 442 SER A O 1 ATOM 2834 C CB . SER A 1 366 ? -18.550 -4.303 13.175 1.00 10.78 ? 442 SER A CB 1 ATOM 2835 O OG . SER A 1 366 ? -19.815 -3.804 12.780 1.00 11.68 ? 442 SER A OG 1 ATOM 2836 N N . SER A 1 367 ? -19.704 -4.895 15.877 1.00 9.14 ? 443 SER A N 1 ATOM 2837 C CA . SER A 1 367 ? -20.676 -4.976 16.957 1.00 10.28 ? 443 SER A CA 1 ATOM 2838 C C . SER A 1 367 ? -21.249 -3.636 17.389 1.00 10.09 ? 443 SER A C 1 ATOM 2839 O O . SER A 1 367 ? -20.647 -2.575 17.190 1.00 10.93 ? 443 SER A O 1 ATOM 2840 C CB . SER A 1 367 ? -20.066 -5.673 18.179 1.00 11.85 ? 443 SER A CB 1 ATOM 2841 O OG . SER A 1 367 ? -19.110 -4.838 18.813 1.00 13.00 ? 443 SER A OG 1 ATOM 2842 N N . THR A 1 368 ? -22.443 -3.709 17.958 1.00 8.40 ? 444 THR A N 1 ATOM 2843 C CA . THR A 1 368 ? -22.974 -2.652 18.798 1.00 8.17 ? 444 THR A CA 1 ATOM 2844 C C . THR A 1 368 ? -23.308 -3.297 20.132 1.00 8.68 ? 444 THR A C 1 ATOM 2845 O O . THR A 1 368 ? -23.592 -4.495 20.205 1.00 9.59 ? 444 THR A O 1 ATOM 2846 C CB . THR A 1 368 ? -24.228 -1.998 18.201 1.00 9.22 ? 444 THR A CB 1 ATOM 2847 O OG1 . THR A 1 368 ? -25.104 -3.015 17.697 1.00 10.46 ? 444 THR A OG1 1 ATOM 2848 C CG2 . THR A 1 368 ? -23.846 -1.049 17.073 1.00 9.36 ? 444 THR A CG2 1 ATOM 2849 N N . VAL A 1 369 ? -23.255 -2.509 21.193 1.00 7.64 ? 445 VAL A N 1 ATOM 2850 C CA . VAL A 1 369 ? -23.446 -3.043 22.531 1.00 8.51 ? 445 VAL A CA 1 ATOM 2851 C C . VAL A 1 369 ? -24.377 -2.116 23.291 1.00 8.28 ? 445 VAL A C 1 ATOM 2852 O O . VAL A 1 369 ? -24.268 -0.897 23.177 1.00 9.78 ? 445 VAL A O 1 ATOM 2853 C CB . VAL A 1 369 ? -22.094 -3.190 23.255 1.00 9.34 ? 445 VAL A CB 1 ATOM 2854 C CG1 . VAL A 1 369 ? -22.286 -3.724 24.666 1.00 10.86 ? 445 VAL A CG1 1 ATOM 2855 C CG2 . VAL A 1 369 ? -21.168 -4.102 22.450 1.00 10.34 ? 445 VAL A CG2 1 ATOM 2856 N N . PHE A 1 370 ? -25.303 -2.702 24.046 1.00 8.86 ? 446 PHE A N 1 ATOM 2857 C CA . PHE A 1 370 ? -26.361 -1.954 24.711 1.00 10.08 ? 446 PHE A CA 1 ATOM 2858 C C . PHE A 1 370 ? -26.523 -2.412 26.150 1.00 10.54 ? 446 PHE A C 1 ATOM 2859 O O . PHE A 1 370 ? -26.376 -3.596 26.454 1.00 11.33 ? 446 PHE A O 1 ATOM 2860 C CB . PHE A 1 370 ? -27.694 -2.170 23.989 1.00 9.45 ? 446 PHE A CB 1 ATOM 2861 C CG . PHE A 1 370 ? -27.681 -1.750 22.555 1.00 9.68 ? 446 PHE A CG 1 ATOM 2862 C CD1 . PHE A 1 370 ? -27.149 -2.582 21.583 1.00 10.30 ? 446 PHE A CD1 1 ATOM 2863 C CD2 . PHE A 1 370 ? -28.217 -0.531 22.172 1.00 11.91 ? 446 PHE A CD2 1 ATOM 2864 C CE1 . PHE A 1 370 ? -27.131 -2.195 20.257 1.00 11.69 ? 446 PHE A CE1 1 ATOM 2865 C CE2 . PHE A 1 370 ? -28.209 -0.143 20.844 1.00 12.54 ? 446 PHE A CE2 1 ATOM 2866 C CZ . PHE A 1 370 ? -27.665 -0.977 19.888 1.00 12.64 ? 446 PHE A CZ 1 ATOM 2867 N N . CYS A 1 371 ? -26.844 -1.478 27.037 1.00 9.51 ? 447 CYS A N 1 ATOM 2868 C CA . CYS A 1 371 ? -27.121 -1.833 28.423 1.00 8.76 ? 447 CYS A CA 1 ATOM 2869 C C . CYS A 1 371 ? -28.474 -1.316 28.883 1.00 10.31 ? 447 CYS A C 1 ATOM 2870 O O . CYS A 1 371 ? -28.918 -0.243 28.470 1.00 11.63 ? 447 CYS A O 1 ATOM 2871 C CB . CYS A 1 371 ? -26.016 -1.328 29.349 1.00 10.90 ? 447 CYS A CB 1 ATOM 2872 S SG . CYS A 1 371 ? -24.490 -2.275 29.215 1.00 12.99 ? 447 CYS A SG 1 ATOM 2873 N N . GLY A 1 372 ? -29.121 -2.088 29.748 1.00 10.33 ? 448 GLY A N 1 ATOM 2874 C CA . GLY A 1 372 ? -30.422 -1.718 30.273 1.00 12.13 ? 448 GLY A CA 1 ATOM 2875 C C . GLY A 1 372 ? -30.359 -0.548 31.232 1.00 12.29 ? 448 GLY A C 1 ATOM 2876 O O . GLY A 1 372 ? -29.431 -0.438 32.035 1.00 14.36 ? 448 GLY A O 1 ATOM 2877 N N . VAL A 1 373 ? -31.352 0.331 31.141 1.00 11.50 ? 449 VAL A N 1 ATOM 2878 C CA . VAL A 1 373 ? -31.468 1.468 32.047 1.00 12.37 ? 449 VAL A CA 1 ATOM 2879 C C . VAL A 1 373 ? -32.884 1.542 32.614 1.00 14.49 ? 449 VAL A C 1 ATOM 2880 O O . VAL A 1 373 ? -33.798 0.885 32.113 1.00 14.70 ? 449 VAL A O 1 ATOM 2881 C CB . VAL A 1 373 ? -31.086 2.790 31.360 1.00 15.48 ? 449 VAL A CB 1 ATOM 2882 C CG1 . VAL A 1 373 ? -29.604 2.789 31.010 1.00 16.84 ? 449 VAL A CG1 1 ATOM 2883 C CG2 . VAL A 1 373 ? -31.929 3.004 30.123 1.00 14.85 ? 449 VAL A CG2 1 ATOM 2884 N N A SER A 1 374 ? -33.064 2.340 33.659 0.41 16.59 ? 450 SER A N 1 ATOM 2885 N N B SER A 1 374 ? -33.058 2.365 33.643 0.59 16.99 ? 450 SER A N 1 ATOM 2886 C CA A SER A 1 374 ? -34.331 2.358 34.382 0.41 18.11 ? 450 SER A CA 1 ATOM 2887 C CA B SER A 1 374 ? -34.304 2.403 34.407 0.59 19.00 ? 450 SER A CA 1 ATOM 2888 C C A SER A 1 374 ? -35.480 2.978 33.591 0.41 20.19 ? 450 SER A C 1 ATOM 2889 C C B SER A 1 374 ? -35.452 3.124 33.702 0.59 20.74 ? 450 SER A C 1 ATOM 2890 O O A SER A 1 374 ? -36.648 2.712 33.874 0.41 23.21 ? 450 SER A O 1 ATOM 2891 O O B SER A 1 374 ? -36.594 3.076 34.160 0.59 23.67 ? 450 SER A O 1 ATOM 2892 C CB A SER A 1 374 ? -34.169 3.068 35.727 0.41 18.69 ? 450 SER A CB 1 ATOM 2893 C CB B SER A 1 374 ? -34.063 3.037 35.779 0.59 20.79 ? 450 SER A CB 1 ATOM 2894 O OG A SER A 1 374 ? -33.259 2.370 36.558 0.41 18.92 ? 450 SER A OG 1 ATOM 2895 O OG B SER A 1 374 ? -33.601 4.370 35.646 0.59 22.25 ? 450 SER A OG 1 ATOM 2896 N N . SER A 1 375 ? -35.152 3.800 32.600 1.00 19.90 ? 451 SER A N 1 ATOM 2897 C CA . SER A 1 375 ? -36.183 4.500 31.840 1.00 21.45 ? 451 SER A CA 1 ATOM 2898 C C . SER A 1 375 ? -36.251 4.003 30.404 1.00 18.00 ? 451 SER A C 1 ATOM 2899 O O . SER A 1 375 ? -35.360 3.292 29.944 1.00 17.87 ? 451 SER A O 1 ATOM 2900 C CB . SER A 1 375 ? -35.935 6.009 31.861 1.00 26.39 ? 451 SER A CB 1 ATOM 2901 O OG . SER A 1 375 ? -34.744 6.338 31.167 1.00 29.38 ? 451 SER A OG 1 ATOM 2902 N N . GLU A 1 376 ? -37.316 4.368 29.699 1.00 16.85 ? 452 GLU A N 1 ATOM 2903 C CA . GLU A 1 376 ? -37.426 4.026 28.288 1.00 17.10 ? 452 GLU A CA 1 ATOM 2904 C C . GLU A 1 376 ? -36.387 4.795 27.482 1.00 16.27 ? 452 GLU A C 1 ATOM 2905 O O . GLU A 1 376 ? -36.047 5.934 27.810 1.00 17.51 ? 452 GLU A O 1 ATOM 2906 C CB . GLU A 1 376 ? -38.836 4.304 27.764 1.00 20.31 ? 452 GLU A CB 1 ATOM 2907 C CG . GLU A 1 376 ? -39.893 3.405 28.388 1.00 24.38 ? 452 GLU A CG 1 ATOM 2908 C CD . GLU A 1 376 ? -41.276 3.634 27.810 1.00 31.22 ? 452 GLU A CD 1 ATOM 2909 O OE1 . GLU A 1 376 ? -42.146 4.156 28.540 1.00 35.35 ? 452 GLU A OE1 1 ATOM 2910 O OE2 . GLU A 1 376 ? -41.492 3.294 26.628 1.00 33.37 ? 452 GLU A OE2 1 ATOM 2911 N N . VAL A 1 377 ? -35.872 4.149 26.442 1.00 14.65 ? 453 VAL A N 1 ATOM 2912 C CA . VAL A 1 377 ? -34.875 4.744 25.565 1.00 15.17 ? 453 VAL A CA 1 ATOM 2913 C C . VAL A 1 377 ? -35.317 4.534 24.124 1.00 14.42 ? 453 VAL A C 1 ATOM 2914 O O . VAL A 1 377 ? -35.731 3.433 23.762 1.00 15.72 ? 453 VAL A O 1 ATOM 2915 C CB . VAL A 1 377 ? -33.498 4.074 25.763 1.00 15.29 ? 453 VAL A CB 1 ATOM 2916 C CG1 . VAL A 1 377 ? -32.445 4.765 24.925 1.00 15.78 ? 453 VAL A CG1 1 ATOM 2917 C CG2 . VAL A 1 377 ? -33.107 4.084 27.234 1.00 15.60 ? 453 VAL A CG2 1 ATOM 2918 N N . PRO A 1 378 ? -35.232 5.587 23.294 1.00 14.06 ? 454 PRO A N 1 ATOM 2919 C CA . PRO A 1 378 ? -35.613 5.445 21.886 1.00 14.39 ? 454 PRO A CA 1 ATOM 2920 C C . PRO A 1 378 ? -34.661 4.507 21.160 1.00 14.35 ? 454 PRO A C 1 ATOM 2921 O O . PRO A 1 378 ? -33.507 4.357 21.568 1.00 13.25 ? 454 PRO A O 1 ATOM 2922 C CB . PRO A 1 378 ? -35.447 6.866 21.324 1.00 16.83 ? 454 PRO A CB 1 ATOM 2923 C CG . PRO A 1 378 ? -35.369 7.765 22.516 1.00 18.80 ? 454 PRO A CG 1 ATOM 2924 C CD . PRO A 1 378 ? -34.771 6.949 23.610 1.00 16.31 ? 454 PRO A CD 1 ATOM 2925 N N . GLY A 1 379 ? -35.144 3.881 20.095 1.00 14.07 ? 455 GLY A N 1 ATOM 2926 C CA . GLY A 1 379 ? -34.288 3.092 19.234 1.00 13.52 ? 455 GLY A CA 1 ATOM 2927 C C . GLY A 1 379 ? -33.707 3.929 18.109 1.00 13.42 ? 455 GLY A C 1 ATOM 2928 O O . GLY A 1 379 ? -33.920 5.139 18.040 1.00 14.83 ? 455 GLY A O 1 ATOM 2929 N N . TRP A 1 380 ? -32.948 3.271 17.242 1.00 12.73 ? 456 TRP A N 1 ATOM 2930 C CA . TRP A 1 380 ? -32.438 3.866 16.016 1.00 13.10 ? 456 TRP A CA 1 ATOM 2931 C C . TRP A 1 380 ? -31.930 2.696 15.195 1.00 13.02 ? 456 TRP A C 1 ATOM 2932 O O . TRP A 1 380 ? -32.315 1.553 15.438 1.00 14.96 ? 456 TRP A O 1 ATOM 2933 C CB . TRP A 1 380 ? -31.305 4.857 16.308 1.00 12.78 ? 456 TRP A CB 1 ATOM 2934 C CG . TRP A 1 380 ? -31.116 5.916 15.244 1.00 12.85 ? 456 TRP A CG 1 ATOM 2935 C CD1 . TRP A 1 380 ? -32.056 6.374 14.363 1.00 13.10 ? 456 TRP A CD1 1 ATOM 2936 C CD2 . TRP A 1 380 ? -29.920 6.660 14.975 1.00 12.06 ? 456 TRP A CD2 1 ATOM 2937 N NE1 . TRP A 1 380 ? -31.515 7.351 13.558 1.00 12.89 ? 456 TRP A NE1 1 ATOM 2938 C CE2 . TRP A 1 380 ? -30.206 7.545 13.916 1.00 13.19 ? 456 TRP A CE2 1 ATOM 2939 C CE3 . TRP A 1 380 ? -28.635 6.660 15.526 1.00 11.11 ? 456 TRP A CE3 1 ATOM 2940 C CZ2 . TRP A 1 380 ? -29.252 8.421 13.396 1.00 13.31 ? 456 TRP A CZ2 1 ATOM 2941 C CZ3 . TRP A 1 380 ? -27.689 7.533 15.011 1.00 11.15 ? 456 TRP A CZ3 1 ATOM 2942 C CH2 . TRP A 1 380 ? -28.002 8.402 13.959 1.00 11.82 ? 456 TRP A CH2 1 ATOM 2943 N N . SER A 1 381 ? -31.072 2.966 14.222 1.00 12.52 ? 457 SER A N 1 ATOM 2944 C CA . SER A 1 381 ? -30.453 1.889 13.470 1.00 12.38 ? 457 SER A CA 1 ATOM 2945 C C . SER A 1 381 ? -28.958 2.138 13.364 1.00 11.12 ? 457 SER A C 1 ATOM 2946 O O . SER A 1 381 ? -28.507 2.948 12.560 1.00 12.87 ? 457 SER A O 1 ATOM 2947 C CB . SER A 1 381 ? -31.083 1.751 12.084 1.00 12.85 ? 457 SER A CB 1 ATOM 2948 O OG . SER A 1 381 ? -30.581 0.604 11.418 1.00 12.11 ? 457 SER A OG 1 ATOM 2949 N N . TRP A 1 382 ? -28.193 1.443 14.197 1.00 10.02 ? 458 TRP A N 1 ATOM 2950 C CA . TRP A 1 382 ? -26.746 1.574 14.191 1.00 8.59 ? 458 TRP A CA 1 ATOM 2951 C C . TRP A 1 382 ? -26.129 0.422 13.402 1.00 8.83 ? 458 TRP A C 1 ATOM 2952 O O . TRP A 1 382 ? -25.744 -0.597 13.973 1.00 10.55 ? 458 TRP A O 1 ATOM 2953 C CB . TRP A 1 382 ? -26.201 1.580 15.622 1.00 9.06 ? 458 TRP A CB 1 ATOM 2954 C CG . TRP A 1 382 ? -26.560 2.791 16.466 1.00 9.16 ? 458 TRP A CG 1 ATOM 2955 C CD1 . TRP A 1 382 ? -25.847 3.952 16.582 1.00 8.73 ? 458 TRP A CD1 1 ATOM 2956 C CD2 . TRP A 1 382 ? -27.683 2.923 17.351 1.00 9.46 ? 458 TRP A CD2 1 ATOM 2957 N NE1 . TRP A 1 382 ? -26.466 4.804 17.468 1.00 9.53 ? 458 TRP A NE1 1 ATOM 2958 C CE2 . TRP A 1 382 ? -27.594 4.195 17.954 1.00 9.31 ? 458 TRP A CE2 1 ATOM 2959 C CE3 . TRP A 1 382 ? -28.760 2.094 17.683 1.00 10.04 ? 458 TRP A CE3 1 ATOM 2960 C CZ2 . TRP A 1 382 ? -28.542 4.658 18.870 1.00 9.51 ? 458 TRP A CZ2 1 ATOM 2961 C CZ3 . TRP A 1 382 ? -29.696 2.551 18.592 1.00 11.01 ? 458 TRP A CZ3 1 ATOM 2962 C CH2 . TRP A 1 382 ? -29.581 3.822 19.177 1.00 11.51 ? 458 TRP A CH2 1 ATOM 2963 N N . ASP A 1 383 ? -26.039 0.588 12.085 1.00 9.21 ? 459 ASP A N 1 ATOM 2964 C CA . ASP A 1 383 ? -25.563 -0.479 11.211 1.00 9.48 ? 459 ASP A CA 1 ATOM 2965 C C . ASP A 1 383 ? -24.040 -0.530 11.120 1.00 9.61 ? 459 ASP A C 1 ATOM 2966 O O . ASP A 1 383 ? -23.348 0.405 11.520 1.00 10.38 ? 459 ASP A O 1 ATOM 2967 C CB . ASP A 1 383 ? -26.165 -0.320 9.815 1.00 11.02 ? 459 ASP A CB 1 ATOM 2968 C CG . ASP A 1 383 ? -25.830 1.018 9.193 1.00 12.25 ? 459 ASP A CG 1 ATOM 2969 O OD1 . ASP A 1 383 ? -24.984 1.051 8.276 1.00 13.31 ? 459 ASP A OD1 1 ATOM 2970 O OD2 . ASP A 1 383 ? -26.399 2.038 9.636 1.00 14.09 ? 459 ASP A OD2 1 ATOM 2971 N N . ASP A 1 384 ? -23.524 -1.632 10.586 1.00 10.17 ? 460 ASP A N 1 ATOM 2972 C CA . ASP A 1 384 ? -22.082 -1.823 10.469 1.00 10.49 ? 460 ASP A CA 1 ATOM 2973 C C . ASP A 1 384 ? -21.395 -0.658 9.763 1.00 10.36 ? 460 ASP A C 1 ATOM 2974 O O . ASP A 1 384 ? -20.436 -0.084 10.285 1.00 11.23 ? 460 ASP A O 1 ATOM 2975 C CB . ASP A 1 384 ? -21.768 -3.125 9.736 1.00 11.75 ? 460 ASP A CB 1 ATOM 2976 C CG . ASP A 1 384 ? -20.314 -3.219 9.339 1.00 12.42 ? 460 ASP A CG 1 ATOM 2977 O OD1 . ASP A 1 384 ? -19.466 -3.473 10.222 1.00 12.96 ? 460 ASP A OD1 1 ATOM 2978 O OD2 . ASP A 1 384 ? -20.018 -3.021 8.144 1.00 11.74 ? 460 ASP A OD2 1 ATOM 2979 N N . GLY A 1 385 ? -21.869 -0.330 8.565 1.00 11.03 ? 461 GLY A N 1 ATOM 2980 C CA . GLY A 1 385 ? -21.421 0.871 7.881 1.00 10.66 ? 461 GLY A CA 1 ATOM 2981 C C . GLY A 1 385 ? -20.301 0.722 6.866 1.00 10.97 ? 461 GLY A C 1 ATOM 2982 O O . GLY A 1 385 ? -19.944 1.694 6.202 1.00 11.51 ? 461 GLY A O 1 ATOM 2983 N N . ALA A 1 386 ? -19.735 -0.474 6.739 1.00 10.72 ? 462 ALA A N 1 ATOM 2984 C CA . ALA A 1 386 ? -18.684 -0.680 5.751 1.00 10.30 ? 462 ALA A CA 1 ATOM 2985 C C . ALA A 1 386 ? -19.251 -0.647 4.336 1.00 11.63 ? 462 ALA A C 1 ATOM 2986 O O . ALA A 1 386 ? -20.382 -1.076 4.090 1.00 12.17 ? 462 ALA A O 1 ATOM 2987 C CB . ALA A 1 386 ? -17.948 -1.989 6.000 1.00 11.58 ? 462 ALA A CB 1 ATOM 2988 N N . ILE A 1 387 ? -18.454 -0.131 3.409 1.00 11.17 ? 463 ILE A N 1 ATOM 2989 C CA . ILE A 1 387 ? -18.851 -0.047 2.015 1.00 12.51 ? 463 ILE A CA 1 ATOM 2990 C C . ILE A 1 387 ? -18.186 -1.179 1.247 1.00 12.29 ? 463 ILE A C 1 ATOM 2991 O O . ILE A 1 387 ? -16.976 -1.168 1.034 1.00 12.85 ? 463 ILE A O 1 ATOM 2992 C CB . ILE A 1 387 ? -18.450 1.306 1.408 1.00 14.14 ? 463 ILE A CB 1 ATOM 2993 C CG1 . ILE A 1 387 ? -19.071 2.447 2.214 1.00 16.37 ? 463 ILE A CG1 1 ATOM 2994 C CG2 . ILE A 1 387 ? -18.873 1.387 -0.051 1.00 15.99 ? 463 ILE A CG2 1 ATOM 2995 C CD1 . ILE A 1 387 ? -18.516 3.811 1.871 1.00 18.56 ? 463 ILE A CD1 1 ATOM 2996 N N . LEU A 1 388 ? -18.985 -2.165 0.852 1.00 11.96 ? 464 LEU A N 1 ATOM 2997 C CA . LEU A 1 388 ? -18.485 -3.331 0.138 1.00 13.21 ? 464 LEU A CA 1 ATOM 2998 C C . LEU A 1 388 ? -18.820 -3.209 -1.343 1.00 13.71 ? 464 LEU A C 1 ATOM 2999 O O . LEU A 1 388 ? -19.735 -2.475 -1.711 1.00 17.09 ? 464 LEU A O 1 ATOM 3000 C CB . LEU A 1 388 ? -19.091 -4.613 0.718 1.00 13.79 ? 464 LEU A CB 1 ATOM 3001 C CG . LEU A 1 388 ? -18.347 -5.280 1.880 1.00 11.85 ? 464 LEU A CG 1 ATOM 3002 C CD1 . LEU A 1 388 ? -18.160 -4.318 3.047 1.00 12.23 ? 464 LEU A CD1 1 ATOM 3003 C CD2 . LEU A 1 388 ? -19.075 -6.539 2.342 1.00 13.39 ? 464 LEU A CD2 1 ATOM 3004 N N . PRO A 1 389 ? -18.075 -3.922 -2.202 1.00 15.26 ? 465 PRO A N 1 ATOM 3005 C CA . PRO A 1 389 ? -16.947 -4.801 -1.870 1.00 14.84 ? 465 PRO A CA 1 ATOM 3006 C C . PRO A 1 389 ? -15.696 -4.027 -1.459 1.00 14.45 ? 465 PRO A C 1 ATOM 3007 O O . PRO A 1 389 ? -15.636 -2.807 -1.630 1.00 14.68 ? 465 PRO A O 1 ATOM 3008 C CB . PRO A 1 389 ? -16.681 -5.548 -3.187 1.00 15.33 ? 465 PRO A CB 1 ATOM 3009 C CG . PRO A 1 389 ? -17.894 -5.322 -4.034 1.00 18.34 ? 465 PRO A CG 1 ATOM 3010 C CD . PRO A 1 389 ? -18.414 -3.983 -3.632 1.00 16.65 ? 465 PRO A CD 1 ATOM 3011 N N . PHE A 1 390 ? -14.713 -4.744 -0.920 1.00 13.48 ? 466 PHE A N 1 ATOM 3012 C CA . PHE A 1 390 ? -13.443 -4.162 -0.504 1.00 11.82 ? 466 PHE A CA 1 ATOM 3013 C C . PHE A 1 390 ? -12.377 -4.346 -1.586 1.00 12.54 ? 466 PHE A C 1 ATOM 3014 O O . PHE A 1 390 ? -12.597 -5.051 -2.575 1.00 13.05 ? 466 PHE A O 1 ATOM 3015 C CB . PHE A 1 390 ? -12.973 -4.806 0.809 1.00 12.62 ? 466 PHE A CB 1 ATOM 3016 C CG . PHE A 1 390 ? -13.406 -4.064 2.049 1.00 11.53 ? 466 PHE A CG 1 ATOM 3017 C CD1 . PHE A 1 390 ? -14.478 -3.186 2.017 1.00 12.86 ? 466 PHE A CD1 1 ATOM 3018 C CD2 . PHE A 1 390 ? -12.744 -4.259 3.253 1.00 11.12 ? 466 PHE A CD2 1 ATOM 3019 C CE1 . PHE A 1 390 ? -14.874 -2.501 3.161 1.00 11.56 ? 466 PHE A CE1 1 ATOM 3020 C CE2 . PHE A 1 390 ? -13.136 -3.581 4.400 1.00 11.75 ? 466 PHE A CE2 1 ATOM 3021 C CZ . PHE A 1 390 ? -14.203 -2.702 4.353 1.00 11.66 ? 466 PHE A CZ 1 ATOM 3022 N N . ASP A 1 391 ? -11.223 -3.710 -1.394 1.00 13.21 ? 467 ASP A N 1 ATOM 3023 C CA . ASP A 1 391 ? -10.125 -3.798 -2.359 1.00 14.24 ? 467 ASP A CA 1 ATOM 3024 C C . ASP A 1 391 ? -9.780 -5.244 -2.716 1.00 13.94 ? 467 ASP A C 1 ATOM 3025 O O . ASP A 1 391 ? -9.570 -5.577 -3.884 1.00 14.94 ? 467 ASP A O 1 ATOM 3026 C CB . ASP A 1 391 ? -8.863 -3.113 -1.817 1.00 15.93 ? 467 ASP A CB 1 ATOM 3027 C CG . ASP A 1 391 ? -9.059 -1.633 -1.553 1.00 19.54 ? 467 ASP A CG 1 ATOM 3028 O OD1 . ASP A 1 391 ? -10.039 -1.050 -2.060 1.00 20.06 ? 467 ASP A OD1 1 ATOM 3029 O OD2 . ASP A 1 391 ? -8.214 -1.048 -0.839 1.00 21.79 ? 467 ASP A OD2 1 ATOM 3030 N N . ILE A 1 392 ? -9.713 -6.102 -1.703 1.00 12.72 ? 468 ILE A N 1 ATOM 3031 C CA . ILE A 1 392 ? -9.273 -7.478 -1.903 1.00 12.68 ? 468 ILE A CA 1 ATOM 3032 C C . ILE A 1 392 ? -10.262 -8.275 -2.754 1.00 13.57 ? 468 ILE A C 1 ATOM 3033 O O . ILE A 1 392 ? -9.897 -9.277 -3.372 1.00 15.32 ? 468 ILE A O 1 ATOM 3034 C CB . ILE A 1 392 ? -9.015 -8.187 -0.548 1.00 11.90 ? 468 ILE A CB 1 ATOM 3035 C CG1 . ILE A 1 392 ? -8.190 -9.463 -0.743 1.00 13.91 ? 468 ILE A CG1 1 ATOM 3036 C CG2 . ILE A 1 392 ? -10.324 -8.468 0.188 1.00 13.59 ? 468 ILE A CG2 1 ATOM 3037 C CD1 . ILE A 1 392 ? -6.766 -9.206 -1.157 1.00 14.35 ? 468 ILE A CD1 1 ATOM 3038 N N . ASP A 1 393 ? -11.506 -7.806 -2.800 1.00 14.13 ? 469 ASP A N 1 ATOM 3039 C CA . ASP A 1 393 ? -12.566 -8.472 -3.552 1.00 14.79 ? 469 ASP A CA 1 ATOM 3040 C C . ASP A 1 393 ? -12.466 -8.207 -5.053 1.00 19.19 ? 469 ASP A C 1 ATOM 3041 O O . ASP A 1 393 ? -13.169 -8.830 -5.853 1.00 20.75 ? 469 ASP A O 1 ATOM 3042 C CB . ASP A 1 393 ? -13.937 -8.025 -3.038 1.00 14.35 ? 469 ASP A CB 1 ATOM 3043 C CG . ASP A 1 393 ? -14.162 -8.392 -1.585 1.00 13.54 ? 469 ASP A CG 1 ATOM 3044 O OD1 . ASP A 1 393 ? -14.750 -7.574 -0.845 1.00 13.39 ? 469 ASP A OD1 1 ATOM 3045 O OD2 . ASP A 1 393 ? -13.744 -9.498 -1.179 1.00 14.41 ? 469 ASP A OD2 1 ATOM 3046 N N . LYS A 1 394 ? -11.597 -7.275 -5.430 1.00 20.65 ? 470 LYS A N 1 ATOM 3047 C CA . LYS A 1 394 ? -11.396 -6.937 -6.833 1.00 27.45 ? 470 LYS A CA 1 ATOM 3048 C C . LYS A 1 394 ? -10.041 -7.438 -7.322 1.00 30.61 ? 470 LYS A C 1 ATOM 3049 O O . LYS A 1 394 ? -9.960 -8.165 -8.311 1.00 35.83 ? 470 LYS A O 1 ATOM 3050 C CB . LYS A 1 394 ? -11.507 -5.426 -7.046 1.00 30.42 ? 470 LYS A CB 1 ATOM 3051 C CG . LYS A 1 394 ? -12.914 -4.860 -6.871 1.00 35.29 ? 470 LYS A CG 1 ATOM 3052 C CD . LYS A 1 394 ? -13.008 -3.981 -5.632 1.00 38.89 ? 470 LYS A CD 1 ATOM 3053 C CE . LYS A 1 394 ? -14.158 -2.983 -5.729 1.00 41.53 ? 470 LYS A CE 1 ATOM 3054 N NZ . LYS A 1 394 ? -14.150 -2.022 -4.586 1.00 42.81 ? 470 LYS A NZ 1 ATOM 3055 N N . PRO B 1 1 ? -46.936 -49.037 79.091 1.00 44.22 ? 82 PRO B N 1 ATOM 3056 C CA . PRO B 1 1 ? -45.782 -48.843 78.206 1.00 42.08 ? 82 PRO B CA 1 ATOM 3057 C C . PRO B 1 1 ? -44.713 -47.971 78.855 1.00 37.13 ? 82 PRO B C 1 ATOM 3058 O O . PRO B 1 1 ? -45.039 -47.004 79.542 1.00 37.86 ? 82 PRO B O 1 ATOM 3059 C CB . PRO B 1 1 ? -46.384 -48.119 76.997 1.00 44.62 ? 82 PRO B CB 1 ATOM 3060 C CG . PRO B 1 1 ? -47.830 -48.484 77.016 1.00 45.86 ? 82 PRO B CG 1 ATOM 3061 C CD . PRO B 1 1 ? -48.194 -48.596 78.466 1.00 45.63 ? 82 PRO B CD 1 ATOM 3062 N N . GLU B 1 2 ? -43.450 -48.319 78.637 1.00 31.40 ? 83 GLU B N 1 ATOM 3063 C CA . GLU B 1 2 ? -42.336 -47.553 79.180 1.00 27.52 ? 83 GLU B CA 1 ATOM 3064 C C . GLU B 1 2 ? -41.385 -47.142 78.068 1.00 20.44 ? 83 GLU B C 1 ATOM 3065 O O . GLU B 1 2 ? -41.349 -47.773 77.008 1.00 20.22 ? 83 GLU B O 1 ATOM 3066 C CB . GLU B 1 2 ? -41.572 -48.374 80.218 1.00 30.56 ? 83 GLU B CB 1 ATOM 3067 C CG . GLU B 1 2 ? -42.270 -48.507 81.560 1.00 36.83 ? 83 GLU B CG 1 ATOM 3068 C CD . GLU B 1 2 ? -41.423 -49.246 82.578 1.00 43.59 ? 83 GLU B CD 1 ATOM 3069 O OE1 . GLU B 1 2 ? -41.057 -50.412 82.312 1.00 45.73 ? 83 GLU B OE1 1 ATOM 3070 O OE2 . GLU B 1 2 ? -41.123 -48.663 83.642 1.00 46.02 ? 83 GLU B OE2 1 ATOM 3071 N N . PHE B 1 3 ? -40.614 -46.085 78.305 1.00 16.89 ? 84 PHE B N 1 ATOM 3072 C CA . PHE B 1 3 ? -39.571 -45.705 77.362 1.00 16.21 ? 84 PHE B CA 1 ATOM 3073 C C . PHE B 1 3 ? -38.475 -46.762 77.369 1.00 16.89 ? 84 PHE B C 1 ATOM 3074 O O . PHE B 1 3 ? -38.143 -47.316 78.419 1.00 18.72 ? 84 PHE B O 1 ATOM 3075 C CB . PHE B 1 3 ? -38.963 -44.350 77.724 1.00 15.50 ? 84 PHE B CB 1 ATOM 3076 C CG . PHE B 1 3 ? -39.912 -43.195 77.590 1.00 14.75 ? 84 PHE B CG 1 ATOM 3077 C CD1 . PHE B 1 3 ? -40.499 -42.896 76.372 1.00 14.72 ? 84 PHE B CD1 1 ATOM 3078 C CD2 . PHE B 1 3 ? -40.191 -42.387 78.678 1.00 14.93 ? 84 PHE B CD2 1 ATOM 3079 C CE1 . PHE B 1 3 ? -41.365 -41.824 76.247 1.00 14.46 ? 84 PHE B CE1 1 ATOM 3080 C CE2 . PHE B 1 3 ? -41.052 -41.314 78.562 1.00 15.82 ? 84 PHE B CE2 1 ATOM 3081 C CZ . PHE B 1 3 ? -41.640 -41.030 77.343 1.00 15.78 ? 84 PHE B CZ 1 ATOM 3082 N N . LEU B 1 4 ? -37.921 -47.043 76.195 1.00 16.40 ? 85 LEU B N 1 ATOM 3083 C CA . LEU B 1 4 ? -36.772 -47.930 76.081 1.00 16.18 ? 85 LEU B CA 1 ATOM 3084 C C . LEU B 1 4 ? -35.518 -47.220 76.577 1.00 15.26 ? 85 LEU B C 1 ATOM 3085 O O . LEU B 1 4 ? -35.233 -46.098 76.161 1.00 16.55 ? 85 LEU B O 1 ATOM 3086 C CB . LEU B 1 4 ? -36.570 -48.343 74.623 1.00 18.10 ? 85 LEU B CB 1 ATOM 3087 C CG . LEU B 1 4 ? -37.575 -49.314 74.007 1.00 21.24 ? 85 LEU B CG 1 ATOM 3088 C CD1 . LEU B 1 4 ? -37.512 -49.247 72.488 1.00 22.40 ? 85 LEU B CD1 1 ATOM 3089 C CD2 . LEU B 1 4 ? -37.313 -50.730 74.502 1.00 23.57 ? 85 LEU B CD2 1 ATOM 3090 N N . ASN B 1 5 ? -34.766 -47.865 77.464 1.00 15.42 ? 86 ASN B N 1 ATOM 3091 C CA . ASN B 1 5 ? -33.485 -47.310 77.888 1.00 15.82 ? 86 ASN B CA 1 ATOM 3092 C C . ASN B 1 5 ? -32.554 -47.159 76.692 1.00 14.69 ? 86 ASN B C 1 ATOM 3093 O O . ASN B 1 5 ? -32.108 -46.055 76.372 1.00 14.50 ? 86 ASN B O 1 ATOM 3094 C CB . ASN B 1 5 ? -32.820 -48.194 78.944 1.00 18.13 ? 86 ASN B CB 1 ATOM 3095 C CG . ASN B 1 5 ? -33.350 -47.943 80.341 1.00 22.89 ? 86 ASN B CG 1 ATOM 3096 O OD1 . ASN B 1 5 ? -34.141 -47.029 80.566 1.00 24.51 ? 86 ASN B OD1 1 ATOM 3097 N ND2 . ASN B 1 5 ? -32.904 -48.756 81.293 1.00 25.04 ? 86 ASN B ND2 1 ATOM 3098 N N . ASN B 1 6 ? -32.273 -48.277 76.029 1.00 14.02 ? 87 ASN B N 1 ATOM 3099 C CA . ASN B 1 6 ? -31.396 -48.273 74.863 1.00 14.50 ? 87 ASN B CA 1 ATOM 3100 C C . ASN B 1 6 ? -30.029 -47.687 75.180 1.00 15.12 ? 87 ASN B C 1 ATOM 3101 O O . ASN B 1 6 ? -29.398 -47.072 74.324 1.00 15.03 ? 87 ASN B O 1 ATOM 3102 C CB . ASN B 1 6 ? -32.034 -47.497 73.705 1.00 16.02 ? 87 ASN B CB 1 ATOM 3103 C CG . ASN B 1 6 ? -32.765 -48.393 72.731 1.00 18.09 ? 87 ASN B CG 1 ATOM 3104 O OD1 . ASN B 1 6 ? -32.541 -49.605 72.688 1.00 17.63 ? 87 ASN B OD1 1 ATOM 3105 N ND2 . ASN B 1 6 ? -33.642 -47.796 71.928 1.00 20.36 ? 87 ASN B ND2 1 ATOM 3106 N N . THR B 1 7 ? -29.578 -47.882 76.415 1.00 15.41 ? 88 THR B N 1 ATOM 3107 C CA . THR B 1 7 ? -28.288 -47.362 76.850 1.00 15.60 ? 88 THR B CA 1 ATOM 3108 C C . THR B 1 7 ? -27.240 -48.470 76.945 1.00 14.98 ? 88 THR B C 1 ATOM 3109 O O . THR B 1 7 ? -26.119 -48.244 77.401 1.00 15.37 ? 88 THR B O 1 ATOM 3110 C CB . THR B 1 7 ? -28.408 -46.666 78.209 1.00 18.86 ? 88 THR B CB 1 ATOM 3111 O OG1 . THR B 1 7 ? -29.084 -47.540 79.122 1.00 20.43 ? 88 THR B OG1 1 ATOM 3112 C CG2 . THR B 1 7 ? -29.206 -45.377 78.070 1.00 19.63 ? 88 THR B CG2 1 ATOM 3113 N N . GLU B 1 8 ? -27.614 -49.666 76.502 1.00 14.76 ? 89 GLU B N 1 ATOM 3114 C CA . GLU B 1 8 ? -26.720 -50.818 76.542 1.00 15.33 ? 89 GLU B CA 1 ATOM 3115 C C . GLU B 1 8 ? -25.602 -50.695 75.509 1.00 14.64 ? 89 GLU B C 1 ATOM 3116 O O . GLU B 1 8 ? -25.713 -49.931 74.550 1.00 14.34 ? 89 GLU B O 1 ATOM 3117 C CB . GLU B 1 8 ? -27.510 -52.109 76.299 1.00 16.56 ? 89 GLU B CB 1 ATOM 3118 C CG . GLU B 1 8 ? -28.525 -52.446 77.383 1.00 17.76 ? 89 GLU B CG 1 ATOM 3119 C CD . GLU B 1 8 ? -29.854 -51.729 77.210 1.00 22.45 ? 89 GLU B CD 1 ATOM 3120 O OE1 . GLU B 1 8 ? -30.012 -50.975 76.227 1.00 24.74 ? 89 GLU B OE1 1 ATOM 3121 O OE2 . GLU B 1 8 ? -30.747 -51.929 78.060 1.00 26.04 ? 89 GLU B OE2 1 ATOM 3122 N N . PRO B 1 9 ? -24.512 -51.450 75.700 1.00 13.70 ? 90 PRO B N 1 ATOM 3123 C CA . PRO B 1 9 ? -23.460 -51.484 74.679 1.00 13.74 ? 90 PRO B CA 1 ATOM 3124 C C . PRO B 1 9 ? -23.962 -52.160 73.413 1.00 14.45 ? 90 PRO B C 1 ATOM 3125 O O . PRO B 1 9 ? -24.842 -53.013 73.488 1.00 15.23 ? 90 PRO B O 1 ATOM 3126 C CB . PRO B 1 9 ? -22.377 -52.351 75.327 1.00 13.96 ? 90 PRO B CB 1 ATOM 3127 C CG . PRO B 1 9 ? -23.110 -53.186 76.329 1.00 15.25 ? 90 PRO B CG 1 ATOM 3128 C CD . PRO B 1 9 ? -24.191 -52.300 76.860 1.00 14.15 ? 90 PRO B CD 1 ATOM 3129 N N . LEU B 1 10 ? -23.417 -51.769 72.265 1.00 12.49 ? 91 LEU B N 1 ATOM 3130 C CA . LEU B 1 10 ? -23.695 -52.472 71.023 1.00 12.79 ? 91 LEU B CA 1 ATOM 3131 C C . LEU B 1 10 ? -23.026 -53.841 71.090 1.00 13.09 ? 91 LEU B C 1 ATOM 3132 O O . LEU B 1 10 ? -21.896 -53.963 71.563 1.00 14.60 ? 91 LEU B O 1 ATOM 3133 C CB . LEU B 1 10 ? -23.148 -51.688 69.830 1.00 12.48 ? 91 LEU B CB 1 ATOM 3134 C CG . LEU B 1 10 ? -23.575 -52.199 68.453 1.00 11.88 ? 91 LEU B CG 1 ATOM 3135 C CD1 . LEU B 1 10 ? -25.005 -51.767 68.158 1.00 12.33 ? 91 LEU B CD1 1 ATOM 3136 C CD2 . LEU B 1 10 ? -22.625 -51.699 67.374 1.00 13.04 ? 91 LEU B CD2 1 ATOM 3137 N N . CYS B 1 11 ? -23.724 -54.873 70.628 1.00 13.21 ? 92 CYS B N 1 ATOM 3138 C CA . CYS B 1 11 ? -23.148 -56.211 70.592 1.00 14.48 ? 92 CYS B CA 1 ATOM 3139 C C . CYS B 1 11 ? -21.935 -56.265 69.678 1.00 14.50 ? 92 CYS B C 1 ATOM 3140 O O . CYS B 1 11 ? -21.910 -55.622 68.628 1.00 14.04 ? 92 CYS B O 1 ATOM 3141 C CB . CYS B 1 11 ? -24.173 -57.225 70.083 1.00 17.06 ? 92 CYS B CB 1 ATOM 3142 S SG . CYS B 1 11 ? -25.624 -57.437 71.122 1.00 20.34 ? 92 CYS B SG 1 ATOM 3143 N N . ASN B 1 12 ? -20.933 -57.042 70.076 1.00 14.70 ? 93 ASN B N 1 ATOM 3144 C CA . ASN B 1 12 ? -19.887 -57.446 69.150 1.00 15.65 ? 93 ASN B CA 1 ATOM 3145 C C . ASN B 1 12 ? -20.384 -58.645 68.362 1.00 15.75 ? 93 ASN B C 1 ATOM 3146 O O . ASN B 1 12 ? -20.849 -59.629 68.940 1.00 17.30 ? 93 ASN B O 1 ATOM 3147 C CB . ASN B 1 12 ? -18.603 -57.807 69.891 1.00 16.92 ? 93 ASN B CB 1 ATOM 3148 C CG . ASN B 1 12 ? -17.995 -56.626 70.602 1.00 18.97 ? 93 ASN B CG 1 ATOM 3149 O OD1 . ASN B 1 12 ? -17.885 -55.536 70.034 1.00 19.24 ? 93 ASN B OD1 1 ATOM 3150 N ND2 . ASN B 1 12 ? -17.598 -56.833 71.857 1.00 19.72 ? 93 ASN B ND2 1 ATOM 3151 N N . VAL B 1 13 ? -20.298 -58.558 67.042 1.00 14.14 ? 94 VAL B N 1 ATOM 3152 C CA . VAL B 1 13 ? -20.811 -59.615 66.182 1.00 14.73 ? 94 VAL B CA 1 ATOM 3153 C C . VAL B 1 13 ? -19.736 -60.093 65.214 1.00 15.70 ? 94 VAL B C 1 ATOM 3154 O O . VAL B 1 13 ? -18.846 -59.331 64.838 1.00 16.08 ? 94 VAL B O 1 ATOM 3155 C CB . VAL B 1 13 ? -22.060 -59.147 65.412 1.00 14.18 ? 94 VAL B CB 1 ATOM 3156 C CG1 . VAL B 1 13 ? -23.160 -58.757 66.392 1.00 13.00 ? 94 VAL B CG1 1 ATOM 3157 C CG2 . VAL B 1 13 ? -21.716 -57.975 64.497 1.00 15.04 ? 94 VAL B CG2 1 ATOM 3158 N N . SER B 1 14 ? -19.818 -61.362 64.826 1.00 15.36 ? 95 SER B N 1 ATOM 3159 C CA . SER B 1 14 ? -18.816 -61.968 63.951 1.00 15.21 ? 95 SER B CA 1 ATOM 3160 C C . SER B 1 14 ? -19.352 -62.260 62.556 1.00 14.87 ? 95 SER B C 1 ATOM 3161 O O . SER B 1 14 ? -18.622 -62.740 61.688 1.00 16.03 ? 95 SER B O 1 ATOM 3162 C CB . SER B 1 14 ? -18.277 -63.259 64.572 1.00 17.10 ? 95 SER B CB 1 ATOM 3163 O OG . SER B 1 14 ? -17.415 -62.977 65.659 1.00 20.87 ? 95 SER B OG 1 ATOM 3164 N N . GLY B 1 15 ? -20.628 -61.968 62.342 1.00 14.07 ? 96 GLY B N 1 ATOM 3165 C CA . GLY B 1 15 ? -21.251 -62.225 61.061 1.00 15.12 ? 96 GLY B CA 1 ATOM 3166 C C . GLY B 1 15 ? -22.631 -61.615 60.981 1.00 13.72 ? 96 GLY B C 1 ATOM 3167 O O . GLY B 1 15 ? -23.169 -61.130 61.978 1.00 14.77 ? 96 GLY B O 1 ATOM 3168 N N . PHE B 1 16 ? -23.207 -61.641 59.786 1.00 13.15 ? 97 PHE B N 1 ATOM 3169 C CA . PHE B 1 16 ? -24.521 -61.062 59.559 1.00 11.79 ? 97 PHE B CA 1 ATOM 3170 C C . PHE B 1 16 ? -25.427 -62.057 58.855 1.00 12.01 ? 97 PHE B C 1 ATOM 3171 O O . PHE B 1 16 ? -25.071 -62.605 57.811 1.00 12.95 ? 97 PHE B O 1 ATOM 3172 C CB . PHE B 1 16 ? -24.403 -59.766 58.758 1.00 13.36 ? 97 PHE B CB 1 ATOM 3173 C CG . PHE B 1 16 ? -23.837 -58.628 59.548 1.00 15.23 ? 97 PHE B CG 1 ATOM 3174 C CD1 . PHE B 1 16 ? -24.672 -57.775 60.248 1.00 15.78 ? 97 PHE B CD1 1 ATOM 3175 C CD2 . PHE B 1 16 ? -22.468 -58.428 59.616 1.00 18.51 ? 97 PHE B CD2 1 ATOM 3176 C CE1 . PHE B 1 16 ? -24.155 -56.726 60.990 1.00 17.84 ? 97 PHE B CE1 1 ATOM 3177 C CE2 . PHE B 1 16 ? -21.943 -57.381 60.358 1.00 20.23 ? 97 PHE B CE2 1 ATOM 3178 C CZ . PHE B 1 16 ? -22.789 -56.531 61.047 1.00 20.18 ? 97 PHE B CZ 1 ATOM 3179 N N . ALA B 1 17 ? -26.592 -62.290 59.452 1.00 11.61 ? 98 ALA B N 1 ATOM 3180 C CA . ALA B 1 17 ? -27.559 -63.254 58.946 1.00 11.23 ? 98 ALA B CA 1 ATOM 3181 C C . ALA B 1 17 ? -28.714 -62.527 58.281 1.00 10.15 ? 98 ALA B C 1 ATOM 3182 O O . ALA B 1 17 ? -29.184 -61.507 58.784 1.00 10.84 ? 98 ALA B O 1 ATOM 3183 C CB . ALA B 1 17 ? -28.078 -64.110 60.090 1.00 11.32 ? 98 ALA B CB 1 ATOM 3184 N N . ILE B 1 18 ? -29.192 -63.057 57.162 1.00 9.61 ? 99 ILE B N 1 ATOM 3185 C CA . ILE B 1 18 ? -30.315 -62.425 56.480 1.00 9.69 ? 99 ILE B CA 1 ATOM 3186 C C . ILE B 1 18 ? -31.607 -62.600 57.282 1.00 9.03 ? 99 ILE B C 1 ATOM 3187 O O . ILE B 1 18 ? -31.910 -63.688 57.773 1.00 9.98 ? 99 ILE B O 1 ATOM 3188 C CB . ILE B 1 18 ? -30.476 -62.926 55.027 1.00 10.29 ? 99 ILE B CB 1 ATOM 3189 C CG1 . ILE B 1 18 ? -31.453 -62.028 54.259 1.00 10.81 ? 99 ILE B CG1 1 ATOM 3190 C CG2 . ILE B 1 18 ? -30.896 -64.397 54.997 1.00 11.45 ? 99 ILE B CG2 1 ATOM 3191 C CD1 . ILE B 1 18 ? -31.420 -62.249 52.760 1.00 10.49 ? 99 ILE B CD1 1 ATOM 3192 N N . VAL B 1 19 ? -32.347 -61.506 57.426 1.00 9.39 ? 100 VAL B N 1 ATOM 3193 C CA . VAL B 1 19 ? -33.560 -61.475 58.236 1.00 9.82 ? 100 VAL B CA 1 ATOM 3194 C C . VAL B 1 19 ? -34.806 -61.384 57.367 1.00 9.20 ? 100 VAL B C 1 ATOM 3195 O O . VAL B 1 19 ? -35.815 -62.035 57.641 1.00 11.69 ? 100 VAL B O 1 ATOM 3196 C CB . VAL B 1 19 ? -33.542 -60.284 59.215 1.00 11.68 ? 100 VAL B CB 1 ATOM 3197 C CG1 . VAL B 1 19 ? -34.848 -60.213 59.999 1.00 14.63 ? 100 VAL B CG1 1 ATOM 3198 C CG2 . VAL B 1 19 ? -32.347 -60.395 60.149 1.00 13.42 ? 100 VAL B CG2 1 ATOM 3199 N N . SER B 1 20 ? -34.740 -60.573 56.318 1.00 8.92 ? 101 SER B N 1 ATOM 3200 C CA . SER B 1 20 ? -35.890 -60.411 55.442 1.00 8.76 ? 101 SER B CA 1 ATOM 3201 C C . SER B 1 20 ? -35.498 -59.987 54.037 1.00 8.07 ? 101 SER B C 1 ATOM 3202 O O . SER B 1 20 ? -34.371 -59.540 53.792 1.00 9.64 ? 101 SER B O 1 ATOM 3203 C CB . SER B 1 20 ? -36.888 -59.412 56.037 1.00 12.55 ? 101 SER B CB 1 ATOM 3204 O OG . SER B 1 20 ? -36.363 -58.098 56.044 1.00 13.01 ? 101 SER B OG 1 ATOM 3205 N N . LYS B 1 21 ? -36.447 -60.143 53.121 1.00 8.73 ? 102 LYS B N 1 ATOM 3206 C CA . LYS B 1 21 ? -36.303 -59.709 51.737 1.00 9.82 ? 102 LYS B CA 1 ATOM 3207 C C . LYS B 1 21 ? -37.713 -59.466 51.219 1.00 10.13 ? 102 LYS B C 1 ATOM 3208 O O . LYS B 1 21 ? -38.545 -60.377 51.246 1.00 12.35 ? 102 LYS B O 1 ATOM 3209 C CB . LYS B 1 21 ? -35.626 -60.792 50.899 1.00 9.71 ? 102 LYS B CB 1 ATOM 3210 C CG . LYS B 1 21 ? -35.368 -60.366 49.466 1.00 9.88 ? 102 LYS B CG 1 ATOM 3211 C CD . LYS B 1 21 ? -34.818 -61.508 48.631 1.00 9.79 ? 102 LYS B CD 1 ATOM 3212 C CE . LYS B 1 21 ? -34.226 -60.991 47.325 1.00 10.27 ? 102 LYS B CE 1 ATOM 3213 N NZ . LYS B 1 21 ? -35.231 -60.242 46.508 1.00 11.50 ? 102 LYS B NZ 1 ATOM 3214 N N . ASP B 1 22 ? -38.003 -58.251 50.759 1.00 9.41 ? 103 ASP B N 1 ATOM 3215 C CA . ASP B 1 22 ? -39.395 -57.910 50.462 1.00 10.66 ? 103 ASP B CA 1 ATOM 3216 C C . ASP B 1 22 ? -39.877 -58.304 49.064 1.00 8.68 ? 103 ASP B C 1 ATOM 3217 O O . ASP B 1 22 ? -41.081 -58.439 48.846 1.00 10.24 ? 103 ASP B O 1 ATOM 3218 C CB . ASP B 1 22 ? -39.694 -56.433 50.764 1.00 13.75 ? 103 ASP B CB 1 ATOM 3219 C CG . ASP B 1 22 ? -38.912 -55.479 49.884 1.00 20.31 ? 103 ASP B CG 1 ATOM 3220 O OD1 . ASP B 1 22 ? -39.392 -55.143 48.781 1.00 20.69 ? 103 ASP B OD1 1 ATOM 3221 O OD2 . ASP B 1 22 ? -37.826 -55.042 50.308 1.00 25.87 ? 103 ASP B OD2 1 ATOM 3222 N N . ASN B 1 23 ? -38.947 -58.501 48.131 1.00 8.21 ? 104 ASN B N 1 ATOM 3223 C CA . ASN B 1 23 ? -39.308 -58.890 46.769 1.00 9.28 ? 104 ASN B CA 1 ATOM 3224 C C . ASN B 1 23 ? -40.347 -57.957 46.153 1.00 9.52 ? 104 ASN B C 1 ATOM 3225 O O . ASN B 1 23 ? -41.153 -58.379 45.324 1.00 9.07 ? 104 ASN B O 1 ATOM 3226 C CB . ASN B 1 23 ? -39.841 -60.328 46.742 1.00 10.12 ? 104 ASN B CB 1 ATOM 3227 C CG . ASN B 1 23 ? -38.743 -61.369 46.879 1.00 12.04 ? 104 ASN B CG 1 ATOM 3228 O OD1 . ASN B 1 23 ? -37.726 -61.314 46.186 1.00 12.25 ? 104 ASN B OD1 1 ATOM 3229 N ND2 . ASN B 1 23 ? -38.954 -62.338 47.765 1.00 14.33 ? 104 ASN B ND2 1 ATOM 3230 N N . GLY B 1 24 ? -40.316 -56.689 46.547 1.00 9.83 ? 105 GLY B N 1 ATOM 3231 C CA . GLY B 1 24 ? -41.381 -55.761 46.215 1.00 9.53 ? 105 GLY B CA 1 ATOM 3232 C C . GLY B 1 24 ? -41.579 -55.523 44.731 1.00 10.00 ? 105 GLY B C 1 ATOM 3233 O O . GLY B 1 24 ? -42.711 -55.390 44.254 1.00 9.77 ? 105 GLY B O 1 ATOM 3234 N N . ILE B 1 25 ? -40.480 -55.455 43.991 1.00 10.37 ? 106 ILE B N 1 ATOM 3235 C CA . ILE B 1 25 ? -40.567 -55.161 42.564 1.00 9.43 ? 106 ILE B CA 1 ATOM 3236 C C . ILE B 1 25 ? -41.071 -56.377 41.779 1.00 9.70 ? 106 ILE B C 1 ATOM 3237 O O . ILE B 1 25 ? -41.897 -56.244 40.877 1.00 10.40 ? 106 ILE B O 1 ATOM 3238 C CB . ILE B 1 25 ? -39.236 -54.613 42.008 1.00 9.47 ? 106 ILE B CB 1 ATOM 3239 C CG1 . ILE B 1 25 ? -38.803 -53.386 42.824 1.00 9.69 ? 106 ILE B CG1 1 ATOM 3240 C CG2 . ILE B 1 25 ? -39.391 -54.225 40.549 1.00 10.02 ? 106 ILE B CG2 1 ATOM 3241 C CD1 . ILE B 1 25 ? -37.475 -52.780 42.397 1.00 10.44 ? 106 ILE B CD1 1 ATOM 3242 N N . ARG B 1 26 ? -40.593 -57.564 42.137 1.00 8.70 ? 107 ARG B N 1 ATOM 3243 C CA . ARG B 1 26 ? -41.132 -58.797 41.566 1.00 9.77 ? 107 ARG B CA 1 ATOM 3244 C C . ARG B 1 26 ? -42.644 -58.879 41.784 1.00 8.70 ? 107 ARG B C 1 ATOM 3245 O O . ARG B 1 26 ? -43.407 -59.184 40.862 1.00 10.16 ? 107 ARG B O 1 ATOM 3246 C CB . ARG B 1 26 ? -40.450 -60.019 42.185 1.00 9.57 ? 107 ARG B CB 1 ATOM 3247 C CG . ARG B 1 26 ? -39.014 -60.222 41.730 1.00 10.54 ? 107 ARG B CG 1 ATOM 3248 C CD . ARG B 1 26 ? -38.314 -61.344 42.496 1.00 10.74 ? 107 ARG B CD 1 ATOM 3249 N NE . ARG B 1 26 ? -38.989 -62.636 42.373 1.00 11.37 ? 107 ARG B NE 1 ATOM 3250 C CZ . ARG B 1 26 ? -38.825 -63.473 41.352 1.00 12.12 ? 107 ARG B CZ 1 ATOM 3251 N NH1 . ARG B 1 26 ? -38.019 -63.153 40.345 1.00 12.76 ? 107 ARG B NH1 1 ATOM 3252 N NH2 . ARG B 1 26 ? -39.474 -64.631 41.333 1.00 13.48 ? 107 ARG B NH2 1 ATOM 3253 N N . ILE B 1 27 ? -43.076 -58.604 43.008 1.00 8.29 ? 108 ILE B N 1 ATOM 3254 C CA . ILE B 1 27 ? -44.494 -58.665 43.332 1.00 9.43 ? 108 ILE B CA 1 ATOM 3255 C C . ILE B 1 27 ? -45.254 -57.578 42.571 1.00 10.36 ? 108 ILE B C 1 ATOM 3256 O O . ILE B 1 27 ? -46.350 -57.815 42.055 1.00 11.04 ? 108 ILE B O 1 ATOM 3257 C CB . ILE B 1 27 ? -44.715 -58.530 44.851 1.00 8.03 ? 108 ILE B CB 1 ATOM 3258 C CG1 . ILE B 1 27 ? -44.124 -59.747 45.565 1.00 7.57 ? 108 ILE B CG1 1 ATOM 3259 C CG2 . ILE B 1 27 ? -46.196 -58.371 45.168 1.00 9.79 ? 108 ILE B CG2 1 ATOM 3260 C CD1 . ILE B 1 27 ? -43.955 -59.565 47.058 1.00 8.78 ? 108 ILE B CD1 1 ATOM 3261 N N . GLY B 1 28 ? -44.643 -56.399 42.475 1.00 9.15 ? 109 GLY B N 1 ATOM 3262 C CA . GLY B 1 28 ? -45.253 -55.255 41.819 1.00 9.94 ? 109 GLY B CA 1 ATOM 3263 C C . GLY B 1 28 ? -45.405 -55.370 40.312 1.00 9.82 ? 109 GLY B C 1 ATOM 3264 O O . GLY B 1 28 ? -46.007 -54.506 39.682 1.00 10.67 ? 109 GLY B O 1 ATOM 3265 N N . SER B 1 29 ? -44.860 -56.430 39.726 1.00 9.62 ? 110 SER B N 1 ATOM 3266 C CA . SER B 1 29 ? -45.071 -56.688 38.309 1.00 10.20 ? 110 SER B CA 1 ATOM 3267 C C . SER B 1 29 ? -46.563 -56.914 38.043 1.00 10.91 ? 110 SER B C 1 ATOM 3268 O O . SER B 1 29 ? -47.061 -56.608 36.959 1.00 11.16 ? 110 SER B O 1 ATOM 3269 C CB . SER B 1 29 ? -44.235 -57.891 37.856 1.00 10.77 ? 110 SER B CB 1 ATOM 3270 O OG . SER B 1 29 ? -44.390 -58.146 36.469 1.00 12.09 ? 110 SER B OG 1 ATOM 3271 N N . ARG B 1 30 ? -47.273 -57.427 39.048 1.00 10.51 ? 111 ARG B N 1 ATOM 3272 C CA . ARG B 1 30 ? -48.712 -57.681 38.930 1.00 9.21 ? 111 ARG B CA 1 ATOM 3273 C C . ARG B 1 30 ? -49.508 -57.118 40.109 1.00 9.79 ? 111 ARG B C 1 ATOM 3274 O O . ARG B 1 30 ? -50.624 -56.626 39.935 1.00 11.06 ? 111 ARG B O 1 ATOM 3275 C CB . ARG B 1 30 ? -48.989 -59.181 38.777 1.00 10.03 ? 111 ARG B CB 1 ATOM 3276 C CG . ARG B 1 30 ? -50.459 -59.533 38.572 1.00 10.74 ? 111 ARG B CG 1 ATOM 3277 C CD . ARG B 1 30 ? -50.600 -60.964 38.084 1.00 10.96 ? 111 ARG B CD 1 ATOM 3278 N NE . ARG B 1 30 ? -51.980 -61.316 37.773 1.00 11.83 ? 111 ARG B NE 1 ATOM 3279 C CZ . ARG B 1 30 ? -52.587 -61.004 36.633 1.00 12.42 ? 111 ARG B CZ 1 ATOM 3280 N NH1 . ARG B 1 30 ? -51.936 -60.318 35.699 1.00 13.22 ? 111 ARG B NH1 1 ATOM 3281 N NH2 . ARG B 1 30 ? -53.845 -61.370 36.426 1.00 13.51 ? 111 ARG B NH2 1 ATOM 3282 N N . GLY B 1 31 ? -48.941 -57.200 41.309 1.00 10.15 ? 112 GLY B N 1 ATOM 3283 C CA . GLY B 1 31 ? -49.605 -56.677 42.489 1.00 10.63 ? 112 GLY B CA 1 ATOM 3284 C C . GLY B 1 31 ? -49.557 -55.163 42.538 1.00 9.57 ? 112 GLY B C 1 ATOM 3285 O O . GLY B 1 31 ? -48.935 -54.518 41.693 1.00 10.61 ? 112 GLY B O 1 ATOM 3286 N N . HIS B 1 32 ? -50.216 -54.589 43.536 1.00 8.18 ? 113 HIS B N 1 ATOM 3287 C CA . HIS B 1 32 ? -50.279 -53.140 43.662 1.00 9.39 ? 113 HIS B CA 1 ATOM 3288 C C . HIS B 1 32 ? -49.260 -52.656 44.677 1.00 9.35 ? 113 HIS B C 1 ATOM 3289 O O . HIS B 1 32 ? -49.500 -52.668 45.886 1.00 10.21 ? 113 HIS B O 1 ATOM 3290 C CB . HIS B 1 32 ? -51.701 -52.701 44.002 1.00 9.37 ? 113 HIS B CB 1 ATOM 3291 C CG . HIS B 1 32 ? -52.685 -53.021 42.920 1.00 8.44 ? 113 HIS B CG 1 ATOM 3292 N ND1 . HIS B 1 32 ? -54.046 -53.074 43.130 1.00 9.49 ? 113 HIS B ND1 1 ATOM 3293 C CD2 . HIS B 1 32 ? -52.495 -53.321 41.612 1.00 9.07 ? 113 HIS B CD2 1 ATOM 3294 C CE1 . HIS B 1 32 ? -54.652 -53.383 41.998 1.00 10.03 ? 113 HIS B CE1 1 ATOM 3295 N NE2 . HIS B 1 32 ? -53.733 -53.539 41.060 1.00 10.00 ? 113 HIS B NE2 1 ATOM 3296 N N . VAL B 1 33 ? -48.109 -52.244 44.160 1.00 8.61 ? 114 VAL B N 1 ATOM 3297 C CA . VAL B 1 33 ? -46.949 -51.959 44.986 1.00 9.06 ? 114 VAL B CA 1 ATOM 3298 C C . VAL B 1 33 ? -46.396 -50.591 44.633 1.00 8.59 ? 114 VAL B C 1 ATOM 3299 O O . VAL B 1 33 ? -46.251 -50.255 43.460 1.00 9.75 ? 114 VAL B O 1 ATOM 3300 C CB . VAL B 1 33 ? -45.851 -53.033 44.788 1.00 9.56 ? 114 VAL B CB 1 ATOM 3301 C CG1 . VAL B 1 33 ? -44.615 -52.705 45.619 1.00 10.04 ? 114 VAL B CG1 1 ATOM 3302 C CG2 . VAL B 1 33 ? -46.387 -54.421 45.147 1.00 10.39 ? 114 VAL B CG2 1 ATOM 3303 N N . PHE B 1 34 ? -46.098 -49.792 45.648 1.00 8.52 ? 115 PHE B N 1 ATOM 3304 C CA . PHE B 1 34 ? -45.537 -48.472 45.409 1.00 9.07 ? 115 PHE B CA 1 ATOM 3305 C C . PHE B 1 34 ? -44.167 -48.527 44.758 1.00 9.58 ? 115 PHE B C 1 ATOM 3306 O O . PHE B 1 34 ? -43.362 -49.423 45.025 1.00 10.23 ? 115 PHE B O 1 ATOM 3307 C CB . PHE B 1 34 ? -45.438 -47.680 46.710 1.00 8.57 ? 115 PHE B CB 1 ATOM 3308 C CG . PHE B 1 34 ? -46.754 -47.204 47.220 1.00 8.24 ? 115 PHE B CG 1 ATOM 3309 C CD1 . PHE B 1 34 ? -47.419 -46.166 46.586 1.00 9.74 ? 115 PHE B CD1 1 ATOM 3310 C CD2 . PHE B 1 34 ? -47.333 -47.792 48.335 1.00 9.04 ? 115 PHE B CD2 1 ATOM 3311 C CE1 . PHE B 1 34 ? -48.639 -45.723 47.054 1.00 11.82 ? 115 PHE B CE1 1 ATOM 3312 C CE2 . PHE B 1 34 ? -48.552 -47.349 48.809 1.00 10.02 ? 115 PHE B CE2 1 ATOM 3313 C CZ . PHE B 1 34 ? -49.208 -46.316 48.165 1.00 10.88 ? 115 PHE B CZ 1 ATOM 3314 N N . VAL B 1 35 ? -43.917 -47.553 43.893 1.00 10.47 ? 116 VAL B N 1 ATOM 3315 C CA . VAL B 1 35 ? -42.566 -47.231 43.480 1.00 11.54 ? 116 VAL B CA 1 ATOM 3316 C C . VAL B 1 35 ? -41.936 -46.483 44.651 1.00 10.45 ? 116 VAL B C 1 ATOM 3317 O O . VAL B 1 35 ? -42.505 -45.503 45.145 1.00 12.89 ? 116 VAL B O 1 ATOM 3318 C CB . VAL B 1 35 ? -42.580 -46.347 42.224 1.00 14.25 ? 116 VAL B CB 1 ATOM 3319 C CG1 . VAL B 1 35 ? -41.219 -45.749 41.981 1.00 17.32 ? 116 VAL B CG1 1 ATOM 3320 C CG2 . VAL B 1 35 ? -43.038 -47.160 41.024 1.00 15.63 ? 116 VAL B CG2 1 ATOM 3321 N N . ILE B 1 36 ? -40.780 -46.952 45.113 1.00 9.63 ? 117 ILE B N 1 ATOM 3322 C CA . ILE B 1 36 ? -40.194 -46.415 46.339 1.00 9.77 ? 117 ILE B CA 1 ATOM 3323 C C . ILE B 1 36 ? -38.708 -46.088 46.223 1.00 10.56 ? 117 ILE B C 1 ATOM 3324 O O . ILE B 1 36 ? -38.050 -46.428 45.238 1.00 12.60 ? 117 ILE B O 1 ATOM 3325 C CB . ILE B 1 36 ? -40.373 -47.393 47.534 1.00 10.34 ? 117 ILE B CB 1 ATOM 3326 C CG1 . ILE B 1 36 ? -39.470 -48.621 47.372 1.00 10.23 ? 117 ILE B CG1 1 ATOM 3327 C CG2 . ILE B 1 36 ? -41.832 -47.805 47.676 1.00 11.57 ? 117 ILE B CG2 1 ATOM 3328 C CD1 . ILE B 1 36 ? -39.171 -49.353 48.668 1.00 11.58 ? 117 ILE B CD1 1 ATOM 3329 N N . ARG B 1 37 ? -38.201 -45.405 47.244 1.00 10.33 ? 118 ARG B N 1 ATOM 3330 C CA . ARG B 1 37 ? -36.771 -45.334 47.516 1.00 11.39 ? 118 ARG B CA 1 ATOM 3331 C C . ARG B 1 37 ? -36.573 -45.454 49.021 1.00 10.71 ? 118 ARG B C 1 ATOM 3332 O O . ARG B 1 37 ? -37.535 -45.339 49.788 1.00 11.06 ? 118 ARG B O 1 ATOM 3333 C CB . ARG B 1 37 ? -36.157 -44.019 47.025 1.00 11.84 ? 118 ARG B CB 1 ATOM 3334 C CG . ARG B 1 37 ? -35.952 -43.905 45.519 1.00 12.75 ? 118 ARG B CG 1 ATOM 3335 C CD . ARG B 1 37 ? -34.882 -44.861 44.977 1.00 12.03 ? 118 ARG B CD 1 ATOM 3336 N NE . ARG B 1 37 ? -33.679 -44.924 45.812 1.00 13.24 ? 118 ARG B NE 1 ATOM 3337 C CZ . ARG B 1 37 ? -32.654 -44.077 45.744 1.00 12.70 ? 118 ARG B CZ 1 ATOM 3338 N NH1 . ARG B 1 37 ? -32.664 -43.073 44.876 1.00 15.57 ? 118 ARG B NH1 1 ATOM 3339 N NH2 . ARG B 1 37 ? -31.613 -44.232 46.557 1.00 13.52 ? 118 ARG B NH2 1 ATOM 3340 N N . GLU B 1 38 ? -35.325 -45.679 49.426 1.00 11.62 ? 119 GLU B N 1 ATOM 3341 C CA . GLU B 1 38 ? -34.908 -45.749 50.835 1.00 12.96 ? 119 GLU B CA 1 ATOM 3342 C C . GLU B 1 38 ? -35.815 -46.549 51.777 1.00 12.37 ? 119 GLU B C 1 ATOM 3343 O O . GLU B 1 38 ? -36.436 -45.993 52.686 1.00 13.27 ? 119 GLU B O 1 ATOM 3344 C CB . GLU B 1 38 ? -34.632 -44.351 51.398 1.00 14.02 ? 119 GLU B CB 1 ATOM 3345 C CG . GLU B 1 38 ? -35.798 -43.391 51.334 1.00 15.90 ? 119 GLU B CG 1 ATOM 3346 C CD . GLU B 1 38 ? -35.425 -42.019 51.844 1.00 16.45 ? 119 GLU B CD 1 ATOM 3347 O OE1 . GLU B 1 38 ? -35.791 -41.687 52.994 1.00 17.73 ? 119 GLU B OE1 1 ATOM 3348 O OE2 . GLU B 1 38 ? -34.750 -41.279 51.096 1.00 16.49 ? 119 GLU B OE2 1 ATOM 3349 N N . PRO B 1 39 ? -35.867 -47.871 51.575 1.00 12.09 ? 120 PRO B N 1 ATOM 3350 C CA . PRO B 1 39 ? -36.639 -48.773 52.435 1.00 12.14 ? 120 PRO B CA 1 ATOM 3351 C C . PRO B 1 39 ? -35.929 -49.019 53.767 1.00 13.35 ? 120 PRO B C 1 ATOM 3352 O O . PRO B 1 39 ? -35.472 -50.138 54.018 1.00 14.14 ? 120 PRO B O 1 ATOM 3353 C CB . PRO B 1 39 ? -36.684 -50.064 51.618 1.00 11.98 ? 120 PRO B CB 1 ATOM 3354 C CG . PRO B 1 39 ? -35.432 -50.032 50.814 1.00 14.50 ? 120 PRO B CG 1 ATOM 3355 C CD . PRO B 1 39 ? -35.205 -48.588 50.470 1.00 12.89 ? 120 PRO B CD 1 ATOM 3356 N N . PHE B 1 40 ? -35.836 -47.992 54.609 1.00 10.24 ? 121 PHE B N 1 ATOM 3357 C CA . PHE B 1 40 ? -35.109 -48.127 55.870 1.00 9.32 ? 121 PHE B CA 1 ATOM 3358 C C . PHE B 1 40 ? -35.922 -48.829 56.947 1.00 9.22 ? 121 PHE B C 1 ATOM 3359 O O . PHE B 1 40 ? -37.144 -48.879 56.881 1.00 12.23 ? 121 PHE B O 1 ATOM 3360 C CB . PHE B 1 40 ? -34.530 -46.785 56.363 1.00 9.90 ? 121 PHE B CB 1 ATOM 3361 C CG . PHE B 1 40 ? -35.554 -45.785 56.863 1.00 10.03 ? 121 PHE B CG 1 ATOM 3362 C CD1 . PHE B 1 40 ? -35.960 -45.787 58.192 1.00 11.16 ? 121 PHE B CD1 1 ATOM 3363 C CD2 . PHE B 1 40 ? -36.043 -44.793 56.023 1.00 11.04 ? 121 PHE B CD2 1 ATOM 3364 C CE1 . PHE B 1 40 ? -36.867 -44.845 58.665 1.00 10.56 ? 121 PHE B CE1 1 ATOM 3365 C CE2 . PHE B 1 40 ? -36.948 -43.846 56.486 1.00 10.30 ? 121 PHE B CE2 1 ATOM 3366 C CZ . PHE B 1 40 ? -37.362 -43.873 57.810 1.00 10.83 ? 121 PHE B CZ 1 ATOM 3367 N N . VAL B 1 41 ? -35.228 -49.393 57.926 1.00 8.65 ? 122 VAL B N 1 ATOM 3368 C CA . VAL B 1 41 ? -35.881 -50.168 58.969 1.00 8.61 ? 122 VAL B CA 1 ATOM 3369 C C . VAL B 1 41 ? -35.692 -49.490 60.320 1.00 9.12 ? 122 VAL B C 1 ATOM 3370 O O . VAL B 1 41 ? -34.625 -48.938 60.605 1.00 10.55 ? 122 VAL B O 1 ATOM 3371 C CB . VAL B 1 41 ? -35.301 -51.597 59.034 1.00 9.09 ? 122 VAL B CB 1 ATOM 3372 C CG1 . VAL B 1 41 ? -35.957 -52.401 60.157 1.00 11.44 ? 122 VAL B CG1 1 ATOM 3373 C CG2 . VAL B 1 41 ? -35.465 -52.302 57.695 1.00 10.48 ? 122 VAL B CG2 1 ATOM 3374 N N . ALA B 1 42 ? -36.736 -49.512 61.141 1.00 9.85 ? 123 ALA B N 1 ATOM 3375 C CA . ALA B 1 42 ? -36.632 -49.066 62.527 1.00 10.42 ? 123 ALA B CA 1 ATOM 3376 C C . ALA B 1 42 ? -37.413 -50.032 63.399 1.00 11.68 ? 123 ALA B C 1 ATOM 3377 O O . ALA B 1 42 ? -38.422 -50.580 62.964 1.00 10.97 ? 123 ALA B O 1 ATOM 3378 C CB . ALA B 1 42 ? -37.169 -47.649 62.688 1.00 11.98 ? 123 ALA B CB 1 ATOM 3379 N N . CYS B 1 43 ? -36.944 -50.239 64.626 1.00 12.40 ? 124 CYS B N 1 ATOM 3380 C CA . CYS B 1 43 ? -37.570 -51.201 65.524 1.00 14.58 ? 124 CYS B CA 1 ATOM 3381 C C . CYS B 1 43 ? -38.131 -50.562 66.781 1.00 16.34 ? 124 CYS B C 1 ATOM 3382 O O . CYS B 1 43 ? -37.490 -49.716 67.407 1.00 18.40 ? 124 CYS B O 1 ATOM 3383 C CB . CYS B 1 43 ? -36.574 -52.283 65.928 1.00 15.94 ? 124 CYS B CB 1 ATOM 3384 S SG . CYS B 1 43 ? -35.984 -53.262 64.556 1.00 19.05 ? 124 CYS B SG 1 ATOM 3385 N N . GLY B 1 44 ? -39.332 -50.992 67.148 1.00 16.89 ? 125 GLY B N 1 ATOM 3386 C CA . GLY B 1 44 ? -39.928 -50.615 68.412 1.00 19.80 ? 125 GLY B CA 1 ATOM 3387 C C . GLY B 1 44 ? -39.760 -51.761 69.387 1.00 21.56 ? 125 GLY B C 1 ATOM 3388 O O . GLY B 1 44 ? -39.021 -52.708 69.116 1.00 22.68 ? 125 GLY B O 1 ATOM 3389 N N . PRO B 1 45 ? -40.448 -51.685 70.530 1.00 23.28 ? 126 PRO B N 1 ATOM 3390 C CA . PRO B 1 45 ? -40.348 -52.712 71.570 1.00 25.93 ? 126 PRO B CA 1 ATOM 3391 C C . PRO B 1 45 ? -40.856 -54.076 71.109 1.00 27.90 ? 126 PRO B C 1 ATOM 3392 O O . PRO B 1 45 ? -40.373 -55.093 71.609 1.00 30.71 ? 126 PRO B O 1 ATOM 3393 C CB . PRO B 1 45 ? -41.249 -52.170 72.687 1.00 25.62 ? 126 PRO B CB 1 ATOM 3394 C CG . PRO B 1 45 ? -41.388 -50.715 72.410 1.00 26.39 ? 126 PRO B CG 1 ATOM 3395 C CD . PRO B 1 45 ? -41.331 -50.577 70.925 1.00 24.55 ? 126 PRO B CD 1 ATOM 3396 N N . THR B 1 46 ? -41.807 -54.102 70.179 1.00 26.46 ? 127 THR B N 1 ATOM 3397 C CA . THR B 1 46 ? -42.468 -55.355 69.814 1.00 28.43 ? 127 THR B CA 1 ATOM 3398 C C . THR B 1 46 ? -42.379 -55.732 68.333 1.00 24.92 ? 127 THR B C 1 ATOM 3399 O O . THR B 1 46 ? -42.685 -56.867 67.963 1.00 26.57 ? 127 THR B O 1 ATOM 3400 C CB . THR B 1 46 ? -43.954 -55.348 70.229 1.00 31.15 ? 127 THR B CB 1 ATOM 3401 O OG1 . THR B 1 46 ? -44.653 -54.323 69.510 1.00 33.79 ? 127 THR B OG1 1 ATOM 3402 C CG2 . THR B 1 46 ? -44.090 -55.098 71.725 1.00 32.76 ? 127 THR B CG2 1 ATOM 3403 N N . GLU B 1 47 ? -41.967 -54.797 67.483 1.00 22.17 ? 128 GLU B N 1 ATOM 3404 C CA . GLU B 1 47 ? -41.855 -55.111 66.062 1.00 19.99 ? 128 GLU B CA 1 ATOM 3405 C C . GLU B 1 47 ? -40.927 -54.164 65.322 1.00 17.77 ? 128 GLU B C 1 ATOM 3406 O O . GLU B 1 47 ? -40.706 -53.029 65.746 1.00 18.92 ? 128 GLU B O 1 ATOM 3407 C CB . GLU B 1 47 ? -43.231 -55.111 65.383 1.00 25.07 ? 128 GLU B CB 1 ATOM 3408 C CG . GLU B 1 47 ? -43.666 -53.747 64.863 1.00 26.31 ? 128 GLU B CG 1 ATOM 3409 C CD . GLU B 1 47 ? -44.808 -53.830 63.861 1.00 28.31 ? 128 GLU B CD 1 ATOM 3410 O OE1 . GLU B 1 47 ? -44.961 -54.883 63.204 1.00 32.64 ? 128 GLU B OE1 1 ATOM 3411 O OE2 . GLU B 1 47 ? -45.549 -52.835 63.719 1.00 23.86 ? 128 GLU B OE2 1 ATOM 3412 N N . CYS B 1 48 ? -40.379 -54.652 64.216 1.00 13.97 ? 129 CYS B N 1 ATOM 3413 C CA . CYS B 1 48 ? -39.604 -53.821 63.311 1.00 12.09 ? 129 CYS B CA 1 ATOM 3414 C C . CYS B 1 48 ? -40.450 -53.521 62.083 1.00 9.70 ? 129 CYS B C 1 ATOM 3415 O O . CYS B 1 48 ? -41.250 -54.356 61.652 1.00 11.06 ? 129 CYS B O 1 ATOM 3416 C CB . CYS B 1 48 ? -38.314 -54.528 62.896 1.00 14.84 ? 129 CYS B CB 1 ATOM 3417 S SG . CYS B 1 48 ? -37.185 -54.874 64.263 1.00 18.58 ? 129 CYS B SG 1 ATOM 3418 N N . ARG B 1 49 ? -40.282 -52.327 61.528 1.00 9.93 ? 130 ARG B N 1 ATOM 3419 C CA . ARG B 1 49 ? -41.028 -51.929 60.346 1.00 8.52 ? 130 ARG B CA 1 ATOM 3420 C C . ARG B 1 49 ? -40.092 -51.393 59.273 1.00 9.43 ? 130 ARG B C 1 ATOM 3421 O O . ARG B 1 49 ? -39.057 -50.794 59.582 1.00 10.41 ? 130 ARG B O 1 ATOM 3422 C CB . ARG B 1 49 ? -42.081 -50.869 60.698 1.00 9.42 ? 130 ARG B CB 1 ATOM 3423 C CG . ARG B 1 49 ? -43.138 -51.357 61.678 1.00 9.54 ? 130 ARG B CG 1 ATOM 3424 C CD . ARG B 1 49 ? -44.211 -50.305 61.944 1.00 10.51 ? 130 ARG B CD 1 ATOM 3425 N NE . ARG B 1 49 ? -45.022 -50.012 60.762 1.00 11.37 ? 130 ARG B NE 1 ATOM 3426 C CZ . ARG B 1 49 ? -46.055 -50.748 60.354 1.00 10.77 ? 130 ARG B CZ 1 ATOM 3427 N NH1 . ARG B 1 49 ? -46.403 -51.845 61.015 1.00 10.50 ? 130 ARG B NH1 1 ATOM 3428 N NH2 . ARG B 1 49 ? -46.737 -50.393 59.274 1.00 10.83 ? 130 ARG B NH2 1 ATOM 3429 N N . THR B 1 50 ? -40.458 -51.627 58.015 1.00 9.53 ? 131 THR B N 1 ATOM 3430 C CA . THR B 1 50 ? -39.780 -51.002 56.889 1.00 9.30 ? 131 THR B CA 1 ATOM 3431 C C . THR B 1 50 ? -40.495 -49.702 56.542 1.00 9.81 ? 131 THR B C 1 ATOM 3432 O O . THR B 1 50 ? -41.687 -49.704 56.232 1.00 11.51 ? 131 THR B O 1 ATOM 3433 C CB . THR B 1 50 ? -39.782 -51.910 55.641 1.00 9.68 ? 131 THR B CB 1 ATOM 3434 O OG1 . THR B 1 50 ? -38.967 -53.065 55.880 1.00 13.09 ? 131 THR B OG1 1 ATOM 3435 C CG2 . THR B 1 50 ? -39.243 -51.157 54.431 1.00 11.52 ? 131 THR B CG2 1 ATOM 3436 N N . PHE B 1 51 ? -39.764 -48.596 56.615 1.00 8.74 ? 132 PHE B N 1 ATOM 3437 C CA . PHE B 1 51 ? -40.262 -47.304 56.175 1.00 9.40 ? 132 PHE B CA 1 ATOM 3438 C C . PHE B 1 51 ? -39.775 -47.077 54.753 1.00 8.62 ? 132 PHE B C 1 ATOM 3439 O O . PHE B 1 51 ? -38.815 -47.708 54.319 1.00 11.46 ? 132 PHE B O 1 ATOM 3440 C CB . PHE B 1 51 ? -39.758 -46.195 57.101 1.00 10.53 ? 132 PHE B CB 1 ATOM 3441 C CG . PHE B 1 51 ? -40.399 -46.209 58.459 1.00 10.51 ? 132 PHE B CG 1 ATOM 3442 C CD1 . PHE B 1 51 ? -40.026 -47.149 59.409 1.00 10.53 ? 132 PHE B CD1 1 ATOM 3443 C CD2 . PHE B 1 51 ? -41.382 -45.287 58.783 1.00 11.20 ? 132 PHE B CD2 1 ATOM 3444 C CE1 . PHE B 1 51 ? -40.624 -47.170 60.659 1.00 11.19 ? 132 PHE B CE1 1 ATOM 3445 C CE2 . PHE B 1 51 ? -41.984 -45.300 60.031 1.00 12.00 ? 132 PHE B CE2 1 ATOM 3446 C CZ . PHE B 1 51 ? -41.602 -46.242 60.971 1.00 11.37 ? 132 PHE B CZ 1 ATOM 3447 N N . PHE B 1 52 ? -40.442 -46.196 54.020 1.00 8.61 ? 133 PHE B N 1 ATOM 3448 C CA . PHE B 1 52 ? -40.029 -45.905 52.653 1.00 8.36 ? 133 PHE B CA 1 ATOM 3449 C C . PHE B 1 52 ? -40.644 -44.606 52.156 1.00 9.47 ? 133 PHE B C 1 ATOM 3450 O O . PHE B 1 52 ? -41.671 -44.161 52.668 1.00 8.76 ? 133 PHE B O 1 ATOM 3451 C CB . PHE B 1 52 ? -40.394 -47.063 51.712 1.00 9.55 ? 133 PHE B CB 1 ATOM 3452 C CG . PHE B 1 52 ? -41.852 -47.433 51.733 1.00 10.66 ? 133 PHE B CG 1 ATOM 3453 C CD1 . PHE B 1 52 ? -42.322 -48.405 52.604 1.00 11.13 ? 133 PHE B CD1 1 ATOM 3454 C CD2 . PHE B 1 52 ? -42.753 -46.821 50.868 1.00 11.77 ? 133 PHE B CD2 1 ATOM 3455 C CE1 . PHE B 1 52 ? -43.670 -48.754 52.623 1.00 12.19 ? 133 PHE B CE1 1 ATOM 3456 C CE2 . PHE B 1 52 ? -44.101 -47.168 50.879 1.00 12.99 ? 133 PHE B CE2 1 ATOM 3457 C CZ . PHE B 1 52 ? -44.558 -48.137 51.757 1.00 12.37 ? 133 PHE B CZ 1 ATOM 3458 N N . LEU B 1 53 ? -39.997 -43.992 51.170 1.00 9.08 ? 134 LEU B N 1 ATOM 3459 C CA . LEU B 1 53 ? -40.560 -42.826 50.497 1.00 9.37 ? 134 LEU B CA 1 ATOM 3460 C C . LEU B 1 53 ? -41.183 -43.237 49.169 1.00 9.68 ? 134 LEU B C 1 ATOM 3461 O O . LEU B 1 53 ? -40.605 -44.022 48.417 1.00 10.60 ? 134 LEU B O 1 ATOM 3462 C CB . LEU B 1 53 ? -39.482 -41.773 50.241 1.00 9.95 ? 134 LEU B CB 1 ATOM 3463 C CG . LEU B 1 53 ? -38.867 -41.092 51.460 1.00 10.92 ? 134 LEU B CG 1 ATOM 3464 C CD1 . LEU B 1 53 ? -37.891 -40.013 51.011 1.00 14.53 ? 134 LEU B CD1 1 ATOM 3465 C CD2 . LEU B 1 53 ? -39.961 -40.501 52.336 1.00 10.78 ? 134 LEU B CD2 1 ATOM 3466 N N . THR B 1 54 ? -42.355 -42.694 48.872 1.00 11.25 ? 135 THR B N 1 ATOM 3467 C CA . THR B 1 54 ? -42.981 -42.949 47.582 1.00 13.33 ? 135 THR B CA 1 ATOM 3468 C C . THR B 1 54 ? -43.563 -41.680 46.974 1.00 15.76 ? 135 THR B C 1 ATOM 3469 O O . THR B 1 54 ? -43.932 -40.750 47.695 1.00 15.96 ? 135 THR B O 1 ATOM 3470 C CB . THR B 1 54 ? -44.072 -44.027 47.685 1.00 14.95 ? 135 THR B CB 1 ATOM 3471 O OG1 . THR B 1 54 ? -44.639 -44.265 46.387 1.00 17.90 ? 135 THR B OG1 1 ATOM 3472 C CG2 . THR B 1 54 ? -45.167 -43.594 48.646 1.00 15.79 ? 135 THR B CG2 1 ATOM 3473 N N . GLN B 1 55 ? -43.633 -41.648 45.645 1.00 15.68 ? 136 GLN B N 1 ATOM 3474 C CA . GLN B 1 55 ? -44.278 -40.553 44.931 1.00 18.86 ? 136 GLN B CA 1 ATOM 3475 C C . GLN B 1 55 ? -45.790 -40.759 44.860 1.00 17.52 ? 136 GLN B C 1 ATOM 3476 O O . GLN B 1 55 ? -46.495 -40.024 44.168 1.00 19.56 ? 136 GLN B O 1 ATOM 3477 C CB . GLN B 1 55 ? -43.715 -40.435 43.513 1.00 20.70 ? 136 GLN B CB 1 ATOM 3478 C CG . GLN B 1 55 ? -42.268 -39.966 43.435 1.00 22.15 ? 136 GLN B CG 1 ATOM 3479 C CD . GLN B 1 55 ? -42.144 -38.456 43.415 1.00 25.60 ? 136 GLN B CD 1 ATOM 3480 O OE1 . GLN B 1 55 ? -41.043 -37.910 43.317 1.00 29.08 ? 136 GLN B OE1 1 ATOM 3481 N NE2 . GLN B 1 55 ? -43.278 -37.772 43.496 1.00 24.34 ? 136 GLN B NE2 1 ATOM 3482 N N . GLY B 1 56 ? -46.291 -41.762 45.570 1.00 14.78 ? 137 GLY B N 1 ATOM 3483 C CA . GLY B 1 56 ? -47.710 -42.065 45.526 1.00 16.10 ? 137 GLY B CA 1 ATOM 3484 C C . GLY B 1 56 ? -48.105 -42.588 44.161 1.00 16.57 ? 137 GLY B C 1 ATOM 3485 O O . GLY B 1 56 ? -49.176 -42.275 43.641 1.00 20.69 ? 137 GLY B O 1 ATOM 3486 N N . ALA B 1 57 ? -47.218 -43.379 43.572 1.00 12.78 ? 138 ALA B N 1 ATOM 3487 C CA . ALA B 1 57 ? -47.468 -44.005 42.284 1.00 11.38 ? 138 ALA B CA 1 ATOM 3488 C C . ALA B 1 57 ? -47.143 -45.483 42.412 1.00 9.78 ? 138 ALA B C 1 ATOM 3489 O O . ALA B 1 57 ? -46.267 -45.864 43.191 1.00 11.80 ? 138 ALA B O 1 ATOM 3490 C CB . ALA B 1 57 ? -46.613 -43.365 41.205 1.00 12.74 ? 138 ALA B CB 1 ATOM 3491 N N . LEU B 1 58 ? -47.850 -46.313 41.652 1.00 10.45 ? 139 LEU B N 1 ATOM 3492 C CA . LEU B 1 58 ? -47.632 -47.753 41.702 1.00 9.59 ? 139 LEU B CA 1 ATOM 3493 C C . LEU B 1 58 ? -46.790 -48.262 40.539 1.00 8.95 ? 139 LEU B C 1 ATOM 3494 O O . LEU B 1 58 ? -46.788 -47.683 39.444 1.00 9.93 ? 139 LEU B O 1 ATOM 3495 C CB . LEU B 1 58 ? -48.966 -48.501 41.728 1.00 9.67 ? 139 LEU B CB 1 ATOM 3496 C CG . LEU B 1 58 ? -49.940 -48.167 42.860 1.00 10.02 ? 139 LEU B CG 1 ATOM 3497 C CD1 . LEU B 1 58 ? -51.165 -49.064 42.771 1.00 11.55 ? 139 LEU B CD1 1 ATOM 3498 C CD2 . LEU B 1 58 ? -49.260 -48.322 44.206 1.00 11.45 ? 139 LEU B CD2 1 ATOM 3499 N N . LEU B 1 59 ? -46.079 -49.355 40.785 1.00 9.00 ? 140 LEU B N 1 ATOM 3500 C CA . LEU B 1 59 ? -45.342 -50.041 39.734 1.00 10.01 ? 140 LEU B CA 1 ATOM 3501 C C . LEU B 1 59 ? -46.266 -50.419 38.583 1.00 10.43 ? 140 LEU B C 1 ATOM 3502 O O . LEU B 1 59 ? -47.416 -50.817 38.794 1.00 9.87 ? 140 LEU B O 1 ATOM 3503 C CB . LEU B 1 59 ? -44.657 -51.291 40.288 1.00 10.48 ? 140 LEU B CB 1 ATOM 3504 C CG . LEU B 1 59 ? -43.361 -51.048 41.063 1.00 11.44 ? 140 LEU B CG 1 ATOM 3505 C CD1 . LEU B 1 59 ? -42.955 -52.289 41.840 1.00 11.85 ? 140 LEU B CD1 1 ATOM 3506 C CD2 . LEU B 1 59 ? -42.249 -50.609 40.113 1.00 12.70 ? 140 LEU B CD2 1 ATOM 3507 N N . ASN B 1 60 ? -45.746 -50.287 37.367 1.00 9.56 ? 141 ASN B N 1 ATOM 3508 C CA . ASN B 1 60 ? -46.487 -50.614 36.151 1.00 9.67 ? 141 ASN B CA 1 ATOM 3509 C C . ASN B 1 60 ? -47.656 -49.676 35.849 1.00 9.99 ? 141 ASN B C 1 ATOM 3510 O O . ASN B 1 60 ? -48.498 -49.978 35.009 1.00 12.19 ? 141 ASN B O 1 ATOM 3511 C CB . ASN B 1 60 ? -46.932 -52.083 36.147 1.00 11.42 ? 141 ASN B CB 1 ATOM 3512 C CG . ASN B 1 60 ? -46.066 -52.943 35.249 1.00 11.86 ? 141 ASN B CG 1 ATOM 3513 O OD1 . ASN B 1 60 ? -45.385 -52.431 34.357 1.00 13.15 ? 141 ASN B OD1 1 ATOM 3514 N ND2 . ASN B 1 60 ? -46.089 -54.252 35.473 1.00 11.45 ? 141 ASN B ND2 1 ATOM 3515 N N . ASP B 1 61 ? -47.690 -48.532 36.526 1.00 8.87 ? 142 ASP B N 1 ATOM 3516 C CA . ASP B 1 61 ? -48.669 -47.495 36.218 1.00 9.29 ? 142 ASP B CA 1 ATOM 3517 C C . ASP B 1 61 ? -47.992 -46.281 35.597 1.00 9.56 ? 142 ASP B C 1 ATOM 3518 O O . ASP B 1 61 ? -46.828 -46.007 35.872 1.00 11.43 ? 142 ASP B O 1 ATOM 3519 C CB . ASP B 1 61 ? -49.420 -47.058 37.468 1.00 9.68 ? 142 ASP B CB 1 ATOM 3520 C CG . ASP B 1 61 ? -50.468 -46.008 37.167 1.00 10.25 ? 142 ASP B CG 1 ATOM 3521 O OD1 . ASP B 1 61 ? -51.485 -46.354 36.531 1.00 12.53 ? 142 ASP B OD1 1 ATOM 3522 O OD2 . ASP B 1 61 ? -50.267 -44.834 37.545 1.00 11.00 ? 142 ASP B OD2 1 ATOM 3523 N N . LYS B 1 62 ? -48.728 -45.544 34.772 1.00 9.63 ? 143 LYS B N 1 ATOM 3524 C CA . LYS B 1 62 ? -48.167 -44.374 34.103 1.00 10.73 ? 143 LYS B CA 1 ATOM 3525 C C . LYS B 1 62 ? -47.628 -43.313 35.066 1.00 11.30 ? 143 LYS B C 1 ATOM 3526 O O . LYS B 1 62 ? -46.738 -42.546 34.704 1.00 12.80 ? 143 LYS B O 1 ATOM 3527 C CB . LYS B 1 62 ? -49.192 -43.754 33.150 1.00 12.01 ? 143 LYS B CB 1 ATOM 3528 C CG . LYS B 1 62 ? -50.376 -43.108 33.843 1.00 12.60 ? 143 LYS B CG 1 ATOM 3529 C CD . LYS B 1 62 ? -51.280 -42.430 32.834 1.00 13.77 ? 143 LYS B CD 1 ATOM 3530 C CE . LYS B 1 62 ? -52.408 -41.674 33.512 1.00 13.56 ? 143 LYS B CE 1 ATOM 3531 N NZ . LYS B 1 62 ? -53.225 -40.950 32.503 1.00 14.79 ? 143 LYS B NZ 1 ATOM 3532 N N . HIS B 1 63 ? -48.154 -43.264 36.288 1.00 10.68 ? 144 HIS B N 1 ATOM 3533 C CA . HIS B 1 63 ? -47.695 -42.262 37.252 1.00 9.54 ? 144 HIS B CA 1 ATOM 3534 C C . HIS B 1 63 ? -46.295 -42.555 37.792 1.00 11.04 ? 144 HIS B C 1 ATOM 3535 O O . HIS B 1 63 ? -45.701 -41.712 38.471 1.00 12.42 ? 144 HIS B O 1 ATOM 3536 C CB . HIS B 1 63 ? -48.696 -42.090 38.402 1.00 10.34 ? 144 HIS B CB 1 ATOM 3537 C CG . HIS B 1 63 ? -49.980 -41.441 37.989 1.00 11.05 ? 144 HIS B CG 1 ATOM 3538 N ND1 . HIS B 1 63 ? -51.039 -42.152 37.464 1.00 11.73 ? 144 HIS B ND1 1 ATOM 3539 C CD2 . HIS B 1 63 ? -50.371 -40.145 38.011 1.00 11.64 ? 144 HIS B CD2 1 ATOM 3540 C CE1 . HIS B 1 63 ? -52.027 -41.321 37.182 1.00 11.41 ? 144 HIS B CE1 1 ATOM 3541 N NE2 . HIS B 1 63 ? -51.648 -40.097 37.506 1.00 11.61 ? 144 HIS B NE2 1 ATOM 3542 N N . SER B 1 64 ? -45.771 -43.741 37.485 1.00 9.98 ? 145 SER B N 1 ATOM 3543 C CA . SER B 1 64 ? -44.409 -44.107 37.876 1.00 12.28 ? 145 SER B CA 1 ATOM 3544 C C . SER B 1 64 ? -43.370 -43.515 36.922 1.00 12.80 ? 145 SER B C 1 ATOM 3545 O O . SER B 1 64 ? -42.169 -43.628 37.155 1.00 13.00 ? 145 SER B O 1 ATOM 3546 C CB . SER B 1 64 ? -44.247 -45.630 37.936 1.00 12.49 ? 145 SER B CB 1 ATOM 3547 O OG . SER B 1 64 ? -44.243 -46.201 36.638 1.00 13.85 ? 145 SER B OG 1 ATOM 3548 N N . ASN B 1 65 ? -43.840 -42.895 35.844 1.00 13.02 ? 146 ASN B N 1 ATOM 3549 C CA . ASN B 1 65 ? -42.960 -42.226 34.889 1.00 13.06 ? 146 ASN B CA 1 ATOM 3550 C C . ASN B 1 65 ? -42.095 -41.203 35.622 1.00 15.36 ? 146 ASN B C 1 ATOM 3551 O O . ASN B 1 65 ? -42.610 -40.397 36.398 1.00 17.00 ? 146 ASN B O 1 ATOM 3552 C CB . ASN B 1 65 ? -43.804 -41.529 33.819 1.00 13.90 ? 146 ASN B CB 1 ATOM 3553 C CG . ASN B 1 65 ? -43.119 -41.469 32.460 1.00 15.64 ? 146 ASN B CG 1 ATOM 3554 O OD1 . ASN B 1 65 ? -41.895 -41.582 32.353 1.00 15.27 ? 146 ASN B OD1 1 ATOM 3555 N ND2 . ASN B 1 65 ? -43.924 -41.276 31.408 1.00 18.09 ? 146 ASN B ND2 1 ATOM 3556 N N . ASN B 1 66 ? -40.784 -41.247 35.391 1.00 16.76 ? 147 ASN B N 1 ATOM 3557 C CA . ASN B 1 66 ? -39.862 -40.309 36.030 1.00 21.90 ? 147 ASN B CA 1 ATOM 3558 C C . ASN B 1 66 ? -39.954 -38.917 35.418 1.00 24.95 ? 147 ASN B C 1 ATOM 3559 O O . ASN B 1 66 ? -38.990 -38.413 34.839 1.00 28.49 ? 147 ASN B O 1 ATOM 3560 C CB . ASN B 1 66 ? -38.420 -40.822 35.951 1.00 25.09 ? 147 ASN B CB 1 ATOM 3561 C CG . ASN B 1 66 ? -38.134 -41.916 36.962 1.00 27.57 ? 147 ASN B CG 1 ATOM 3562 O OD1 . ASN B 1 66 ? -38.949 -42.194 37.843 1.00 29.08 ? 147 ASN B OD1 1 ATOM 3563 N ND2 . ASN B 1 66 ? -36.968 -42.539 36.842 1.00 28.22 ? 147 ASN B ND2 1 ATOM 3564 N N . THR B 1 67 ? -41.121 -38.302 35.553 1.00 26.47 ? 148 THR B N 1 ATOM 3565 C CA . THR B 1 67 ? -41.376 -36.994 34.974 1.00 28.84 ? 148 THR B CA 1 ATOM 3566 C C . THR B 1 67 ? -41.570 -35.960 36.073 1.00 30.26 ? 148 THR B C 1 ATOM 3567 O O . THR B 1 67 ? -41.892 -34.803 35.804 1.00 31.33 ? 148 THR B O 1 ATOM 3568 C CB . THR B 1 67 ? -42.623 -37.026 34.078 1.00 28.91 ? 148 THR B CB 1 ATOM 3569 O OG1 . THR B 1 67 ? -43.742 -37.503 34.835 1.00 30.65 ? 148 THR B OG1 1 ATOM 3570 C CG2 . THR B 1 67 ? -42.398 -37.948 32.886 1.00 27.24 ? 148 THR B CG2 1 ATOM 3571 N N . VAL B 1 68 ? -41.377 -36.389 37.316 1.00 30.69 ? 149 VAL B N 1 ATOM 3572 C CA . VAL B 1 68 ? -41.481 -35.497 38.462 1.00 31.93 ? 149 VAL B CA 1 ATOM 3573 C C . VAL B 1 68 ? -40.190 -35.519 39.272 1.00 30.36 ? 149 VAL B C 1 ATOM 3574 O O . VAL B 1 68 ? -39.596 -36.576 39.485 1.00 30.06 ? 149 VAL B O 1 ATOM 3575 C CB . VAL B 1 68 ? -42.660 -35.880 39.377 1.00 34.50 ? 149 VAL B CB 1 ATOM 3576 C CG1 . VAL B 1 68 ? -43.980 -35.702 38.643 1.00 35.81 ? 149 VAL B CG1 1 ATOM 3577 C CG2 . VAL B 1 68 ? -42.510 -37.312 39.871 1.00 35.08 ? 149 VAL B CG2 1 ATOM 3578 N N . LYS B 1 69 ? -39.757 -34.344 39.717 1.00 29.02 ? 150 LYS B N 1 ATOM 3579 C CA . LYS B 1 69 ? -38.550 -34.235 40.527 1.00 28.13 ? 150 LYS B CA 1 ATOM 3580 C C . LYS B 1 69 ? -38.711 -35.021 41.825 1.00 25.46 ? 150 LYS B C 1 ATOM 3581 O O . LYS B 1 69 ? -39.832 -35.264 42.275 1.00 24.27 ? 150 LYS B O 1 ATOM 3582 C CB . LYS B 1 69 ? -38.240 -32.766 40.822 1.00 30.97 ? 150 LYS B CB 1 ATOM 3583 C CG . LYS B 1 69 ? -39.283 -32.071 41.683 1.00 35.26 ? 150 LYS B CG 1 ATOM 3584 C CD . LYS B 1 69 ? -39.691 -30.723 41.101 1.00 39.56 ? 150 LYS B CD 1 ATOM 3585 C CE . LYS B 1 69 ? -40.878 -30.857 40.151 1.00 42.42 ? 150 LYS B CE 1 ATOM 3586 N NZ . LYS B 1 69 ? -40.604 -31.760 38.997 1.00 43.62 ? 150 LYS B NZ 1 ATOM 3587 N N . ASP B 1 70 ? -37.591 -35.421 42.422 1.00 22.87 ? 151 ASP B N 1 ATOM 3588 C CA . ASP B 1 70 ? -37.620 -36.193 43.659 1.00 23.83 ? 151 ASP B CA 1 ATOM 3589 C C . ASP B 1 70 ? -38.364 -35.445 44.754 1.00 20.38 ? 151 ASP B C 1 ATOM 3590 O O . ASP B 1 70 ? -39.214 -36.012 45.443 1.00 21.11 ? 151 ASP B O 1 ATOM 3591 C CB . ASP B 1 70 ? -36.201 -36.516 44.130 1.00 28.53 ? 151 ASP B CB 1 ATOM 3592 C CG . ASP B 1 70 ? -35.479 -37.456 43.193 1.00 33.95 ? 151 ASP B CG 1 ATOM 3593 O OD1 . ASP B 1 70 ? -36.134 -38.004 42.280 1.00 36.05 ? 151 ASP B OD1 1 ATOM 3594 O OD2 . ASP B 1 70 ? -34.258 -37.651 43.373 1.00 36.41 ? 151 ASP B OD2 1 ATOM 3595 N N . ARG B 1 71 ? -38.046 -34.166 44.913 1.00 16.93 ? 152 ARG B N 1 ATOM 3596 C CA . ARG B 1 71 ? -38.674 -33.370 45.958 1.00 15.70 ? 152 ARG B CA 1 ATOM 3597 C C . ARG B 1 71 ? -39.990 -32.772 45.472 1.00 17.54 ? 152 ARG B C 1 ATOM 3598 O O . ARG B 1 71 ? -40.084 -31.580 45.173 1.00 22.32 ? 152 ARG B O 1 ATOM 3599 C CB . ARG B 1 71 ? -37.709 -32.302 46.464 1.00 14.79 ? 152 ARG B CB 1 ATOM 3600 C CG . ARG B 1 71 ? -36.480 -32.906 47.128 1.00 16.16 ? 152 ARG B CG 1 ATOM 3601 C CD . ARG B 1 71 ? -35.552 -31.843 47.668 1.00 15.69 ? 152 ARG B CD 1 ATOM 3602 N NE . ARG B 1 71 ? -35.067 -30.969 46.604 1.00 15.49 ? 152 ARG B NE 1 ATOM 3603 C CZ . ARG B 1 71 ? -34.067 -31.279 45.787 1.00 17.87 ? 152 ARG B CZ 1 ATOM 3604 N NH1 . ARG B 1 71 ? -33.447 -32.447 45.912 1.00 19.59 ? 152 ARG B NH1 1 ATOM 3605 N NH2 . ARG B 1 71 ? -33.689 -30.424 44.845 1.00 19.67 ? 152 ARG B NH2 1 ATOM 3606 N N . SER B 1 72 ? -41.004 -33.627 45.395 1.00 14.29 ? 153 SER B N 1 ATOM 3607 C CA . SER B 1 72 ? -42.303 -33.253 44.859 1.00 13.54 ? 153 SER B CA 1 ATOM 3608 C C . SER B 1 72 ? -43.327 -33.160 45.978 1.00 12.89 ? 153 SER B C 1 ATOM 3609 O O . SER B 1 72 ? -43.099 -33.665 47.076 1.00 13.94 ? 153 SER B O 1 ATOM 3610 C CB . SER B 1 72 ? -42.772 -34.301 43.854 1.00 15.17 ? 153 SER B CB 1 ATOM 3611 O OG . SER B 1 72 ? -43.366 -35.394 44.531 1.00 16.59 ? 153 SER B OG 1 ATOM 3612 N N . PRO B 1 73 ? -44.468 -32.515 45.700 1.00 13.54 ? 154 PRO B N 1 ATOM 3613 C CA . PRO B 1 73 ? -45.550 -32.451 46.689 1.00 13.32 ? 154 PRO B CA 1 ATOM 3614 C C . PRO B 1 73 ? -46.266 -33.787 46.882 1.00 13.28 ? 154 PRO B C 1 ATOM 3615 O O . PRO B 1 73 ? -47.099 -33.892 47.779 1.00 15.61 ? 154 PRO B O 1 ATOM 3616 C CB . PRO B 1 73 ? -46.522 -31.422 46.097 1.00 15.92 ? 154 PRO B CB 1 ATOM 3617 C CG . PRO B 1 73 ? -46.133 -31.262 44.668 1.00 17.33 ? 154 PRO B CG 1 ATOM 3618 C CD . PRO B 1 73 ? -44.701 -31.643 44.537 1.00 16.38 ? 154 PRO B CD 1 ATOM 3619 N N . TYR B 1 74 ? -45.955 -34.790 46.065 1.00 12.65 ? 155 TYR B N 1 ATOM 3620 C CA . TYR B 1 74 ? -46.627 -36.085 46.185 1.00 11.99 ? 155 TYR B CA 1 ATOM 3621 C C . TYR B 1 74 ? -45.868 -37.049 47.085 1.00 12.99 ? 155 TYR B C 1 ATOM 3622 O O . TYR B 1 74 ? -46.409 -38.066 47.505 1.00 14.73 ? 155 TYR B O 1 ATOM 3623 C CB . TYR B 1 74 ? -46.830 -36.724 44.808 1.00 10.99 ? 155 TYR B CB 1 ATOM 3624 C CG . TYR B 1 74 ? -47.205 -35.723 43.751 1.00 10.28 ? 155 TYR B CG 1 ATOM 3625 C CD1 . TYR B 1 74 ? -48.275 -34.859 43.940 1.00 11.38 ? 155 TYR B CD1 1 ATOM 3626 C CD2 . TYR B 1 74 ? -46.486 -35.631 42.567 1.00 10.67 ? 155 TYR B CD2 1 ATOM 3627 C CE1 . TYR B 1 74 ? -48.614 -33.926 42.984 1.00 11.81 ? 155 TYR B CE1 1 ATOM 3628 C CE2 . TYR B 1 74 ? -46.825 -34.706 41.599 1.00 11.72 ? 155 TYR B CE2 1 ATOM 3629 C CZ . TYR B 1 74 ? -47.890 -33.856 41.813 1.00 12.87 ? 155 TYR B CZ 1 ATOM 3630 O OH . TYR B 1 74 ? -48.233 -32.931 40.851 1.00 14.79 ? 155 TYR B OH 1 ATOM 3631 N N . ARG B 1 75 ? -44.614 -36.725 47.380 1.00 12.42 ? 156 ARG B N 1 ATOM 3632 C CA . ARG B 1 75 ? -43.749 -37.646 48.109 1.00 12.66 ? 156 ARG B CA 1 ATOM 3633 C C . ARG B 1 75 ? -44.213 -37.824 49.554 1.00 10.84 ? 156 ARG B C 1 ATOM 3634 O O . ARG B 1 75 ? -44.483 -36.845 50.258 1.00 10.46 ? 156 ARG B O 1 ATOM 3635 C CB . ARG B 1 75 ? -42.300 -37.161 48.070 1.00 13.83 ? 156 ARG B CB 1 ATOM 3636 C CG . ARG B 1 75 ? -41.273 -38.276 48.124 1.00 16.40 ? 156 ARG B CG 1 ATOM 3637 C CD . ARG B 1 75 ? -40.841 -38.713 46.737 1.00 18.23 ? 156 ARG B CD 1 ATOM 3638 N NE . ARG B 1 75 ? -39.837 -39.771 46.804 1.00 19.38 ? 156 ARG B NE 1 ATOM 3639 C CZ . ARG B 1 75 ? -38.525 -39.557 46.845 1.00 21.22 ? 156 ARG B CZ 1 ATOM 3640 N NH1 . ARG B 1 75 ? -38.053 -38.318 46.816 1.00 22.66 ? 156 ARG B NH1 1 ATOM 3641 N NH2 . ARG B 1 75 ? -37.684 -40.580 46.907 1.00 20.61 ? 156 ARG B NH2 1 ATOM 3642 N N . ALA B 1 76 ? -44.306 -39.078 49.984 1.00 10.60 ? 157 ALA B N 1 ATOM 3643 C CA . ALA B 1 76 ? -44.798 -39.405 51.317 1.00 11.29 ? 157 ALA B CA 1 ATOM 3644 C C . ALA B 1 76 ? -43.968 -40.505 51.964 1.00 11.30 ? 157 ALA B C 1 ATOM 3645 O O . ALA B 1 76 ? -43.411 -41.365 51.278 1.00 11.48 ? 157 ALA B O 1 ATOM 3646 C CB . ALA B 1 76 ? -46.265 -39.826 51.251 1.00 13.10 ? 157 ALA B CB 1 ATOM 3647 N N . LEU B 1 77 ? -43.895 -40.466 53.291 1.00 9.60 ? 158 LEU B N 1 ATOM 3648 C CA . LEU B 1 77 ? -43.283 -41.527 54.079 1.00 8.18 ? 158 LEU B CA 1 ATOM 3649 C C . LEU B 1 77 ? -44.377 -42.485 54.525 1.00 8.86 ? 158 LEU B C 1 ATOM 3650 O O . LEU B 1 77 ? -45.392 -42.056 55.073 1.00 9.37 ? 158 LEU B O 1 ATOM 3651 C CB . LEU B 1 77 ? -42.573 -40.940 55.304 1.00 8.16 ? 158 LEU B CB 1 ATOM 3652 C CG . LEU B 1 77 ? -41.945 -41.936 56.284 1.00 8.32 ? 158 LEU B CG 1 ATOM 3653 C CD1 . LEU B 1 77 ? -40.683 -42.547 55.681 1.00 9.98 ? 158 LEU B CD1 1 ATOM 3654 C CD2 . LEU B 1 77 ? -41.641 -41.269 57.626 1.00 9.58 ? 158 LEU B CD2 1 ATOM 3655 N N . MET B 1 78 ? -44.175 -43.776 54.273 1.00 7.61 ? 159 MET B N 1 ATOM 3656 C CA . MET B 1 78 ? -45.103 -44.816 54.712 1.00 7.34 ? 159 MET B CA 1 ATOM 3657 C C . MET B 1 78 ? -44.317 -45.962 55.340 1.00 8.04 ? 159 MET B C 1 ATOM 3658 O O . MET B 1 78 ? -43.092 -45.982 55.273 1.00 9.46 ? 159 MET B O 1 ATOM 3659 C CB . MET B 1 78 ? -45.909 -45.356 53.532 1.00 8.92 ? 159 MET B CB 1 ATOM 3660 C CG . MET B 1 78 ? -46.703 -44.315 52.771 1.00 9.42 ? 159 MET B CG 1 ATOM 3661 S SD . MET B 1 78 ? -47.645 -45.103 51.452 1.00 12.77 ? 159 MET B SD 1 ATOM 3662 C CE . MET B 1 78 ? -48.503 -43.710 50.730 1.00 14.38 ? 159 MET B CE 1 ATOM 3663 N N . SER B 1 79 ? -45.015 -46.920 55.941 1.00 7.90 ? 160 SER B N 1 ATOM 3664 C CA . SER B 1 79 ? -44.339 -48.093 56.488 1.00 8.95 ? 160 SER B CA 1 ATOM 3665 C C . SER B 1 79 ? -45.166 -49.372 56.359 1.00 9.55 ? 160 SER B C 1 ATOM 3666 O O . SER B 1 79 ? -46.392 -49.328 56.232 1.00 9.54 ? 160 SER B O 1 ATOM 3667 C CB . SER B 1 79 ? -43.946 -47.869 57.954 1.00 9.39 ? 160 SER B CB 1 ATOM 3668 O OG . SER B 1 79 ? -45.088 -47.855 58.797 1.00 9.95 ? 160 SER B OG 1 ATOM 3669 N N . VAL B 1 80 ? -44.470 -50.505 56.388 1.00 9.50 ? 161 VAL B N 1 ATOM 3670 C CA . VAL B 1 80 ? -45.094 -51.823 56.456 1.00 8.83 ? 161 VAL B CA 1 ATOM 3671 C C . VAL B 1 80 ? -44.305 -52.670 57.451 1.00 9.36 ? 161 VAL B C 1 ATOM 3672 O O . VAL B 1 80 ? -43.186 -52.322 57.813 1.00 9.69 ? 161 VAL B O 1 ATOM 3673 C CB . VAL B 1 80 ? -45.092 -52.549 55.084 1.00 8.77 ? 161 VAL B CB 1 ATOM 3674 C CG1 . VAL B 1 80 ? -46.032 -51.860 54.097 1.00 10.04 ? 161 VAL B CG1 1 ATOM 3675 C CG2 . VAL B 1 80 ? -43.669 -52.652 54.529 1.00 10.54 ? 161 VAL B CG2 1 ATOM 3676 N N . PRO B 1 81 ? -44.885 -53.787 57.905 1.00 9.69 ? 162 PRO B N 1 ATOM 3677 C CA . PRO B 1 81 ? -44.103 -54.693 58.752 1.00 10.19 ? 162 PRO B CA 1 ATOM 3678 C C . PRO B 1 81 ? -42.842 -55.157 58.030 1.00 10.43 ? 162 PRO B C 1 ATOM 3679 O O . PRO B 1 81 ? -42.853 -55.299 56.807 1.00 11.26 ? 162 PRO B O 1 ATOM 3680 C CB . PRO B 1 81 ? -45.052 -55.874 58.965 1.00 11.94 ? 162 PRO B CB 1 ATOM 3681 C CG . PRO B 1 81 ? -46.413 -55.293 58.802 1.00 12.91 ? 162 PRO B CG 1 ATOM 3682 C CD . PRO B 1 81 ? -46.277 -54.236 57.744 1.00 11.94 ? 162 PRO B CD 1 ATOM 3683 N N . LEU B 1 82 ? -41.770 -55.391 58.779 1.00 10.40 ? 163 LEU B N 1 ATOM 3684 C CA . LEU B 1 82 ? -40.513 -55.830 58.183 1.00 9.87 ? 163 LEU B CA 1 ATOM 3685 C C . LEU B 1 82 ? -40.701 -57.082 57.331 1.00 9.70 ? 163 LEU B C 1 ATOM 3686 O O . LEU B 1 82 ? -41.229 -58.093 57.795 1.00 11.81 ? 163 LEU B O 1 ATOM 3687 C CB . LEU B 1 82 ? -39.465 -56.092 59.266 1.00 11.82 ? 163 LEU B CB 1 ATOM 3688 C CG . LEU B 1 82 ? -38.094 -56.560 58.770 1.00 12.08 ? 163 LEU B CG 1 ATOM 3689 C CD1 . LEU B 1 82 ? -37.485 -55.544 57.814 1.00 14.57 ? 163 LEU B CD1 1 ATOM 3690 C CD2 . LEU B 1 82 ? -37.160 -56.823 59.946 1.00 15.08 ? 163 LEU B CD2 1 ATOM 3691 N N . GLY B 1 83 ? -40.259 -57.008 56.082 1.00 10.12 ? 164 GLY B N 1 ATOM 3692 C CA . GLY B 1 83 ? -40.366 -58.134 55.178 1.00 9.50 ? 164 GLY B CA 1 ATOM 3693 C C . GLY B 1 83 ? -41.534 -58.022 54.215 1.00 9.91 ? 164 GLY B C 1 ATOM 3694 O O . GLY B 1 83 ? -41.560 -58.695 53.191 1.00 11.27 ? 164 GLY B O 1 ATOM 3695 N N . SER B 1 84 A -42.507 -57.180 54.540 1.00 9.44 ? 164 SER B N 1 ATOM 3696 C CA . SER B 1 84 A -43.640 -56.985 53.645 1.00 8.77 ? 164 SER B CA 1 ATOM 3697 C C . SER B 1 84 A -43.252 -56.136 52.446 1.00 9.21 ? 164 SER B C 1 ATOM 3698 O O . SER B 1 84 A -42.349 -55.298 52.527 1.00 10.87 ? 164 SER B O 1 ATOM 3699 C CB . SER B 1 84 A -44.812 -56.333 54.379 1.00 9.74 ? 164 SER B CB 1 ATOM 3700 O OG . SER B 1 84 A -45.447 -57.259 55.240 1.00 11.21 ? 164 SER B OG 1 ATOM 3701 N N . SER B 1 85 ? -43.934 -56.361 51.329 1.00 9.27 ? 165 SER B N 1 ATOM 3702 C CA . SER B 1 85 ? -43.771 -55.495 50.173 1.00 9.33 ? 165 SER B CA 1 ATOM 3703 C C . SER B 1 85 ? -44.377 -54.138 50.505 1.00 10.17 ? 165 SER B C 1 ATOM 3704 O O . SER B 1 85 ? -45.287 -54.046 51.337 1.00 9.39 ? 165 SER B O 1 ATOM 3705 C CB . SER B 1 85 ? -44.450 -56.096 48.939 1.00 10.73 ? 165 SER B CB 1 ATOM 3706 O OG . SER B 1 85 ? -45.842 -56.273 49.143 1.00 11.03 ? 165 SER B OG 1 ATOM 3707 N N . PRO B 1 86 ? -43.869 -53.073 49.869 1.00 8.72 ? 166 PRO B N 1 ATOM 3708 C CA . PRO B 1 86 ? -44.413 -51.739 50.137 1.00 9.13 ? 166 PRO B CA 1 ATOM 3709 C C . PRO B 1 86 ? -45.676 -51.527 49.315 1.00 8.70 ? 166 PRO B C 1 ATOM 3710 O O . PRO B 1 86 ? -45.695 -50.721 48.381 1.00 10.14 ? 166 PRO B O 1 ATOM 3711 C CB . PRO B 1 86 ? -43.292 -50.811 49.670 1.00 9.73 ? 166 PRO B CB 1 ATOM 3712 C CG . PRO B 1 86 ? -42.622 -51.572 48.568 1.00 9.30 ? 166 PRO B CG 1 ATOM 3713 C CD . PRO B 1 86 ? -42.724 -53.034 48.941 1.00 9.16 ? 166 PRO B CD 1 ATOM 3714 N N . ASN B 1 87 ? -46.728 -52.259 49.671 1.00 8.37 ? 167 ASN B N 1 ATOM 3715 C CA . ASN B 1 87 ? -47.918 -52.310 48.835 1.00 8.80 ? 167 ASN B CA 1 ATOM 3716 C C . ASN B 1 87 ? -49.036 -51.364 49.261 1.00 7.93 ? 167 ASN B C 1 ATOM 3717 O O . ASN B 1 87 ? -49.027 -50.812 50.362 1.00 8.90 ? 167 ASN B O 1 ATOM 3718 C CB . ASN B 1 87 ? -48.429 -53.749 48.705 1.00 10.37 ? 167 ASN B CB 1 ATOM 3719 C CG . ASN B 1 87 ? -48.973 -54.295 50.008 1.00 10.39 ? 167 ASN B CG 1 ATOM 3720 O OD1 . ASN B 1 87 ? -50.042 -53.893 50.455 1.00 10.28 ? 167 ASN B OD1 1 ATOM 3721 N ND2 . ASN B 1 87 ? -48.241 -55.220 50.622 1.00 9.55 ? 167 ASN B ND2 1 ATOM 3722 N N . ALA B 1 88 ? -50.001 -51.185 48.369 1.00 8.66 ? 168 ALA B N 1 ATOM 3723 C CA . ALA B 1 88 ? -51.038 -50.176 48.539 1.00 9.06 ? 168 ALA B CA 1 ATOM 3724 C C . ALA B 1 88 ? -51.993 -50.444 49.693 1.00 8.22 ? 168 ALA B C 1 ATOM 3725 O O . ALA B 1 88 ? -52.667 -49.527 50.156 1.00 10.63 ? 168 ALA B O 1 ATOM 3726 C CB . ALA B 1 88 ? -51.826 -50.016 47.246 1.00 10.17 ? 168 ALA B CB 1 ATOM 3727 N N . TYR B 1 89 ? -52.064 -51.689 50.153 1.00 8.95 ? 169 TYR B N 1 ATOM 3728 C CA . TYR B 1 89 ? -53.133 -52.073 51.071 1.00 8.99 ? 169 TYR B CA 1 ATOM 3729 C C . TYR B 1 89 ? -52.649 -52.433 52.475 1.00 10.21 ? 169 TYR B C 1 ATOM 3730 O O . TYR B 1 89 ? -53.437 -52.441 53.420 1.00 13.17 ? 169 TYR B O 1 ATOM 3731 C CB . TYR B 1 89 ? -53.989 -53.190 50.453 1.00 9.40 ? 169 TYR B CB 1 ATOM 3732 C CG . TYR B 1 89 ? -54.384 -52.866 49.031 1.00 8.86 ? 169 TYR B CG 1 ATOM 3733 C CD1 . TYR B 1 89 ? -55.062 -51.690 48.738 1.00 8.95 ? 169 TYR B CD1 1 ATOM 3734 C CD2 . TYR B 1 89 ? -54.057 -53.718 47.981 1.00 8.78 ? 169 TYR B CD2 1 ATOM 3735 C CE1 . TYR B 1 89 ? -55.410 -51.373 47.440 1.00 8.29 ? 169 TYR B CE1 1 ATOM 3736 C CE2 . TYR B 1 89 ? -54.401 -53.408 46.676 1.00 8.82 ? 169 TYR B CE2 1 ATOM 3737 C CZ . TYR B 1 89 ? -55.079 -52.235 46.415 1.00 8.94 ? 169 TYR B CZ 1 ATOM 3738 O OH . TYR B 1 89 ? -55.426 -51.913 45.126 1.00 10.57 ? 169 TYR B OH 1 ATOM 3739 N N . GLN B 1 90 ? -51.357 -52.720 52.609 1.00 9.47 ? 170 GLN B N 1 ATOM 3740 C CA . GLN B 1 90 ? -50.754 -52.938 53.922 1.00 9.67 ? 170 GLN B CA 1 ATOM 3741 C C . GLN B 1 90 ? -50.030 -51.689 54.420 1.00 9.98 ? 170 GLN B C 1 ATOM 3742 O O . GLN B 1 90 ? -49.741 -51.571 55.605 1.00 12.49 ? 170 GLN B O 1 ATOM 3743 C CB . GLN B 1 90 ? -49.784 -54.127 53.897 1.00 10.22 ? 170 GLN B CB 1 ATOM 3744 C CG . GLN B 1 90 ? -50.454 -55.490 53.802 1.00 10.98 ? 170 GLN B CG 1 ATOM 3745 C CD . GLN B 1 90 ? -49.456 -56.639 53.746 1.00 13.64 ? 170 GLN B CD 1 ATOM 3746 O OE1 . GLN B 1 90 ? -48.429 -56.552 53.080 1.00 14.14 ? 170 GLN B OE1 1 ATOM 3747 N NE2 . GLN B 1 90 ? -49.767 -57.730 54.436 1.00 17.55 ? 170 GLN B NE2 1 ATOM 3748 N N . ALA B 1 91 ? -49.727 -50.763 53.511 1.00 10.31 ? 171 ALA B N 1 ATOM 3749 C CA . ALA B 1 91 ? -48.983 -49.556 53.869 1.00 10.05 ? 171 ALA B CA 1 ATOM 3750 C C . ALA B 1 91 ? -49.705 -48.683 54.888 1.00 9.44 ? 171 ALA B C 1 ATOM 3751 O O . ALA B 1 91 ? -50.912 -48.449 54.787 1.00 11.13 ? 171 ALA B O 1 ATOM 3752 C CB . ALA B 1 91 ? -48.664 -48.738 52.634 1.00 10.96 ? 171 ALA B CB 1 ATOM 3753 N N . LYS B 1 92 ? -48.942 -48.197 55.861 1.00 9.26 ? 172 LYS B N 1 ATOM 3754 C CA . LYS B 1 92 ? -49.420 -47.221 56.830 1.00 9.19 ? 172 LYS B CA 1 ATOM 3755 C C . LYS B 1 92 ? -48.836 -45.846 56.513 1.00 9.51 ? 172 LYS B C 1 ATOM 3756 O O . LYS B 1 92 ? -47.623 -45.704 56.371 1.00 10.05 ? 172 LYS B O 1 ATOM 3757 C CB . LYS B 1 92 ? -48.993 -47.640 58.235 1.00 11.27 ? 172 LYS B CB 1 ATOM 3758 C CG . LYS B 1 92 ? -49.251 -46.598 59.311 1.00 13.82 ? 172 LYS B CG 1 ATOM 3759 C CD . LYS B 1 92 ? -48.694 -47.065 60.645 1.00 17.10 ? 172 LYS B CD 1 ATOM 3760 C CE . LYS B 1 92 ? -48.914 -46.031 61.737 1.00 20.84 ? 172 LYS B CE 1 ATOM 3761 N NZ . LYS B 1 92 ? -48.279 -46.458 63.016 1.00 24.88 ? 172 LYS B NZ 1 ATOM 3762 N N . PHE B 1 93 ? -49.692 -44.834 56.406 1.00 8.78 ? 173 PHE B N 1 ATOM 3763 C CA . PHE B 1 93 ? -49.214 -43.480 56.150 1.00 8.97 ? 173 PHE B CA 1 ATOM 3764 C C . PHE B 1 93 ? -48.509 -42.906 57.379 1.00 8.79 ? 173 PHE B C 1 ATOM 3765 O O . PHE B 1 93 ? -49.041 -42.966 58.491 1.00 11.08 ? 173 PHE B O 1 ATOM 3766 C CB . PHE B 1 93 ? -50.358 -42.551 55.724 1.00 10.44 ? 173 PHE B CB 1 ATOM 3767 C CG . PHE B 1 93 ? -49.888 -41.186 55.311 1.00 10.56 ? 173 PHE B CG 1 ATOM 3768 C CD1 . PHE B 1 93 ? -49.617 -40.907 53.981 1.00 11.49 ? 173 PHE B CD1 1 ATOM 3769 C CD2 . PHE B 1 93 ? -49.685 -40.189 56.257 1.00 11.06 ? 173 PHE B CD2 1 ATOM 3770 C CE1 . PHE B 1 93 ? -49.164 -39.659 53.597 1.00 10.66 ? 173 PHE B CE1 1 ATOM 3771 C CE2 . PHE B 1 93 ? -49.230 -38.936 55.881 1.00 11.31 ? 173 PHE B CE2 1 ATOM 3772 C CZ . PHE B 1 93 ? -48.975 -38.670 54.545 1.00 11.43 ? 173 PHE B CZ 1 ATOM 3773 N N . GLU B 1 94 ? -47.323 -42.337 57.175 1.00 8.51 ? 174 GLU B N 1 ATOM 3774 C CA . GLU B 1 94 ? -46.540 -41.790 58.285 1.00 8.69 ? 174 GLU B CA 1 ATOM 3775 C C . GLU B 1 94 ? -46.404 -40.263 58.255 1.00 8.88 ? 174 GLU B C 1 ATOM 3776 O O . GLU B 1 94 ? -46.617 -39.596 59.269 1.00 10.35 ? 174 GLU B O 1 ATOM 3777 C CB . GLU B 1 94 ? -45.153 -42.442 58.344 1.00 10.35 ? 174 GLU B CB 1 ATOM 3778 C CG . GLU B 1 94 ? -45.166 -43.964 58.484 1.00 10.66 ? 174 GLU B CG 1 ATOM 3779 C CD . GLU B 1 94 ? -45.498 -44.436 59.893 1.00 13.32 ? 174 GLU B CD 1 ATOM 3780 O OE1 . GLU B 1 94 ? -45.607 -43.587 60.801 1.00 14.87 ? 174 GLU B OE1 1 ATOM 3781 O OE2 . GLU B 1 94 ? -45.645 -45.662 60.093 1.00 12.67 ? 174 GLU B OE2 1 ATOM 3782 N N . SER B 1 95 ? -46.035 -39.712 57.104 1.00 9.13 ? 175 SER B N 1 ATOM 3783 C CA . SER B 1 95 ? -45.808 -38.276 56.983 1.00 9.88 ? 175 SER B CA 1 ATOM 3784 C C . SER B 1 95 ? -45.745 -37.866 55.521 1.00 9.29 ? 175 SER B C 1 ATOM 3785 O O . SER B 1 95 ? -45.395 -38.674 54.663 1.00 9.77 ? 175 SER B O 1 ATOM 3786 C CB . SER B 1 95 ? -44.484 -37.904 57.661 1.00 10.20 ? 175 SER B CB 1 ATOM 3787 O OG . SER B 1 95 ? -44.241 -36.505 57.614 1.00 9.90 ? 175 SER B OG 1 ATOM 3788 N N . VAL B 1 96 ? -46.087 -36.616 55.227 1.00 9.55 ? 176 VAL B N 1 ATOM 3789 C CA . VAL B 1 96 ? -45.708 -36.057 53.940 1.00 8.76 ? 176 VAL B CA 1 ATOM 3790 C C . VAL B 1 96 ? -44.196 -35.886 54.038 1.00 9.76 ? 176 VAL B C 1 ATOM 3791 O O . VAL B 1 96 ? -43.689 -35.461 55.078 1.00 10.85 ? 176 VAL B O 1 ATOM 3792 C CB . VAL B 1 96 ? -46.402 -34.711 53.665 1.00 9.27 ? 176 VAL B CB 1 ATOM 3793 C CG1 . VAL B 1 96 ? -45.987 -34.158 52.297 1.00 10.26 ? 176 VAL B CG1 1 ATOM 3794 C CG2 . VAL B 1 96 ? -47.916 -34.870 53.747 1.00 10.81 ? 176 VAL B CG2 1 ATOM 3795 N N . ALA B 1 97 ? -43.461 -36.246 52.990 1.00 9.23 ? 177 ALA B N 1 ATOM 3796 C CA . ALA B 1 97 ? -42.005 -36.270 53.110 1.00 9.24 ? 177 ALA B CA 1 ATOM 3797 C C . ALA B 1 97 ? -41.278 -36.551 51.809 1.00 9.35 ? 177 ALA B C 1 ATOM 3798 O O . ALA B 1 97 ? -41.580 -37.533 51.135 1.00 10.00 ? 177 ALA B O 1 ATOM 3799 C CB . ALA B 1 97 ? -41.589 -37.311 54.147 1.00 10.71 ? 177 ALA B CB 1 ATOM 3800 N N . TRP B 1 98 ? -40.312 -35.699 51.470 1.00 9.79 ? 178 TRP B N 1 ATOM 3801 C CA . TRP B 1 98 ? -39.313 -36.067 50.468 1.00 9.52 ? 178 TRP B CA 1 ATOM 3802 C C . TRP B 1 98 ? -37.930 -36.341 51.080 1.00 9.42 ? 178 TRP B C 1 ATOM 3803 O O . TRP B 1 98 ? -36.970 -36.652 50.370 1.00 10.32 ? 178 TRP B O 1 ATOM 3804 C CB . TRP B 1 98 ? -39.254 -35.093 49.276 1.00 10.36 ? 178 TRP B CB 1 ATOM 3805 C CG . TRP B 1 98 ? -39.262 -33.602 49.553 1.00 10.00 ? 178 TRP B CG 1 ATOM 3806 C CD1 . TRP B 1 98 ? -40.251 -32.717 49.220 1.00 10.94 ? 178 TRP B CD1 1 ATOM 3807 C CD2 . TRP B 1 98 ? -38.214 -32.819 50.148 1.00 10.83 ? 178 TRP B CD2 1 ATOM 3808 N NE1 . TRP B 1 98 ? -39.894 -31.441 49.585 1.00 9.96 ? 178 TRP B NE1 1 ATOM 3809 C CE2 . TRP B 1 98 ? -38.651 -31.476 50.158 1.00 10.13 ? 178 TRP B CE2 1 ATOM 3810 C CE3 . TRP B 1 98 ? -36.957 -33.123 50.680 1.00 10.21 ? 178 TRP B CE3 1 ATOM 3811 C CZ2 . TRP B 1 98 ? -37.876 -30.444 50.679 1.00 10.54 ? 178 TRP B CZ2 1 ATOM 3812 C CZ3 . TRP B 1 98 ? -36.189 -32.093 51.198 1.00 10.21 ? 178 TRP B CZ3 1 ATOM 3813 C CH2 . TRP B 1 98 ? -36.652 -30.770 51.194 1.00 10.86 ? 178 TRP B CH2 1 ATOM 3814 N N . SER B 1 99 ? -37.857 -36.237 52.405 1.00 9.08 ? 179 SER B N 1 ATOM 3815 C CA . SER B 1 99 ? -36.701 -36.674 53.190 1.00 8.67 ? 179 SER B CA 1 ATOM 3816 C C . SER B 1 99 ? -37.239 -37.017 54.575 1.00 9.66 ? 179 SER B C 1 ATOM 3817 O O . SER B 1 99 ? -38.159 -36.357 55.058 1.00 9.88 ? 179 SER B O 1 ATOM 3818 C CB . SER B 1 99 ? -35.648 -35.568 53.276 1.00 9.37 ? 179 SER B CB 1 ATOM 3819 O OG . SER B 1 99 ? -34.525 -35.972 54.046 1.00 10.06 ? 179 SER B OG 1 ATOM 3820 N N . ALA B 1 100 ? -36.689 -38.043 55.217 1.00 8.28 ? 180 ALA B N 1 ATOM 3821 C CA . ALA B 1 100 ? -37.306 -38.535 56.446 1.00 9.15 ? 180 ALA B CA 1 ATOM 3822 C C . ALA B 1 100 ? -36.388 -39.319 57.371 1.00 8.38 ? 180 ALA B C 1 ATOM 3823 O O . ALA B 1 100 ? -35.324 -39.798 56.973 1.00 10.02 ? 180 ALA B O 1 ATOM 3824 C CB . ALA B 1 100 ? -38.539 -39.382 56.110 1.00 10.72 ? 180 ALA B CB 1 ATOM 3825 N N . THR B 1 101 ? -36.826 -39.428 58.620 1.00 8.10 ? 181 THR B N 1 ATOM 3826 C CA . THR B 1 101 ? -36.247 -40.346 59.590 1.00 7.67 ? 181 THR B CA 1 ATOM 3827 C C . THR B 1 101 ? -37.387 -40.798 60.504 1.00 8.72 ? 181 THR B C 1 ATOM 3828 O O . THR B 1 101 ? -38.408 -40.117 60.612 1.00 10.61 ? 181 THR B O 1 ATOM 3829 C CB . THR B 1 101 ? -35.088 -39.704 60.402 1.00 9.67 ? 181 THR B CB 1 ATOM 3830 O OG1 . THR B 1 101 ? -34.507 -40.680 61.277 1.00 10.28 ? 181 THR B OG1 1 ATOM 3831 C CG2 . THR B 1 101 ? -35.578 -38.516 61.226 1.00 11.21 ? 181 THR B CG2 1 ATOM 3832 N N . ALA B 1 102 ? -37.229 -41.954 61.138 1.00 8.91 ? 182 ALA B N 1 ATOM 3833 C CA . ALA B 1 102 ? -38.256 -42.470 62.036 1.00 7.94 ? 182 ALA B CA 1 ATOM 3834 C C . ALA B 1 102 ? -37.632 -43.410 63.055 1.00 8.78 ? 182 ALA B C 1 ATOM 3835 O O . ALA B 1 102 ? -36.588 -44.003 62.800 1.00 9.61 ? 182 ALA B O 1 ATOM 3836 C CB . ALA B 1 102 ? -39.355 -43.187 61.252 1.00 8.46 ? 182 ALA B CB 1 ATOM 3837 N N . CYS B 1 103 ? -38.281 -43.537 64.206 1.00 9.65 ? 183 CYS B N 1 ATOM 3838 C CA . CYS B 1 103 ? -37.805 -44.404 65.275 1.00 10.20 ? 183 CYS B CA 1 ATOM 3839 C C . CYS B 1 103 ? -38.889 -44.536 66.337 1.00 11.33 ? 183 CYS B C 1 ATOM 3840 O O . CYS B 1 103 ? -39.924 -43.876 66.256 1.00 13.75 ? 183 CYS B O 1 ATOM 3841 C CB . CYS B 1 103 ? -36.488 -43.887 65.875 1.00 11.94 ? 183 CYS B CB 1 ATOM 3842 S SG . CYS B 1 103 ? -36.431 -42.124 66.306 1.00 13.55 ? 183 CYS B SG 1 ATOM 3843 N N . HIS B 1 104 ? -38.655 -45.391 67.325 1.00 10.93 ? 184 HIS B N 1 ATOM 3844 C CA . HIS B 1 104 ? -39.659 -45.672 68.343 1.00 11.22 ? 184 HIS B CA 1 ATOM 3845 C C . HIS B 1 104 ? -39.026 -45.485 69.713 1.00 10.78 ? 184 HIS B C 1 ATOM 3846 O O . HIS B 1 104 ? -37.940 -46.006 69.969 1.00 13.17 ? 184 HIS B O 1 ATOM 3847 C CB . HIS B 1 104 ? -40.174 -47.107 68.187 1.00 11.94 ? 184 HIS B CB 1 ATOM 3848 C CG . HIS B 1 104 ? -41.463 -47.377 68.901 1.00 13.32 ? 184 HIS B CG 1 ATOM 3849 N ND1 . HIS B 1 104 ? -41.570 -47.380 70.276 1.00 14.20 ? 184 HIS B ND1 1 ATOM 3850 C CD2 . HIS B 1 104 ? -42.698 -47.666 68.427 1.00 14.25 ? 184 HIS B CD2 1 ATOM 3851 C CE1 . HIS B 1 104 ? -42.818 -47.651 70.618 1.00 14.46 ? 184 HIS B CE1 1 ATOM 3852 N NE2 . HIS B 1 104 ? -43.522 -47.830 69.515 1.00 14.50 ? 184 HIS B NE2 1 ATOM 3853 N N . ASP B 1 105 ? -39.691 -44.746 70.598 1.00 11.38 ? 185 ASP B N 1 ATOM 3854 C CA . ASP B 1 105 ? -39.094 -44.458 71.905 1.00 11.90 ? 185 ASP B CA 1 ATOM 3855 C C . ASP B 1 105 ? -39.478 -45.448 73.003 1.00 13.29 ? 185 ASP B C 1 ATOM 3856 O O . ASP B 1 105 ? -39.052 -45.302 74.149 1.00 12.96 ? 185 ASP B O 1 ATOM 3857 C CB . ASP B 1 105 ? -39.377 -43.015 72.346 1.00 12.33 ? 185 ASP B CB 1 ATOM 3858 C CG . ASP B 1 105 ? -40.843 -42.759 72.657 1.00 13.14 ? 185 ASP B CG 1 ATOM 3859 O OD1 . ASP B 1 105 ? -41.658 -43.705 72.642 1.00 13.55 ? 185 ASP B OD1 1 ATOM 3860 O OD2 . ASP B 1 105 ? -41.178 -41.586 72.928 1.00 13.32 ? 185 ASP B OD2 1 ATOM 3861 N N . GLY B 1 106 ? -40.269 -46.456 72.646 1.00 12.97 ? 186 GLY B N 1 ATOM 3862 C CA . GLY B 1 106 ? -40.748 -47.427 73.613 1.00 12.44 ? 186 GLY B CA 1 ATOM 3863 C C . GLY B 1 106 ? -42.235 -47.287 73.862 1.00 13.78 ? 186 GLY B C 1 ATOM 3864 O O . GLY B 1 106 ? -42.916 -48.262 74.200 1.00 15.50 ? 186 GLY B O 1 ATOM 3865 N N . LYS B 1 107 ? -42.740 -46.068 73.698 1.00 13.77 ? 187 LYS B N 1 ATOM 3866 C CA . LYS B 1 107 ? -44.164 -45.800 73.876 1.00 12.66 ? 187 LYS B CA 1 ATOM 3867 C C . LYS B 1 107 ? -44.863 -45.557 72.543 1.00 13.00 ? 187 LYS B C 1 ATOM 3868 O O . LYS B 1 107 ? -45.934 -46.110 72.290 1.00 15.54 ? 187 LYS B O 1 ATOM 3869 C CB . LYS B 1 107 ? -44.385 -44.604 74.807 1.00 13.82 ? 187 LYS B CB 1 ATOM 3870 C CG . LYS B 1 107 ? -43.822 -44.792 76.206 1.00 15.12 ? 187 LYS B CG 1 ATOM 3871 C CD . LYS B 1 107 ? -44.255 -43.667 77.135 1.00 16.33 ? 187 LYS B CD 1 ATOM 3872 C CE . LYS B 1 107 ? -43.616 -43.803 78.508 1.00 18.26 ? 187 LYS B CE 1 ATOM 3873 N NZ . LYS B 1 107 ? -44.170 -42.813 79.475 1.00 21.10 ? 187 LYS B NZ 1 ATOM 3874 N N . LYS B 1 108 ? -44.254 -44.732 71.693 1.00 13.27 ? 188 LYS B N 1 ATOM 3875 C CA . LYS B 1 108 ? -44.867 -44.363 70.419 1.00 13.43 ? 188 LYS B CA 1 ATOM 3876 C C . LYS B 1 108 ? -43.858 -44.256 69.281 1.00 12.95 ? 188 LYS B C 1 ATOM 3877 O O . LYS B 1 108 ? -42.655 -44.097 69.507 1.00 13.64 ? 188 LYS B O 1 ATOM 3878 C CB . LYS B 1 108 ? -45.609 -43.027 70.540 1.00 15.44 ? 188 LYS B CB 1 ATOM 3879 C CG . LYS B 1 108 ? -46.686 -42.983 71.604 1.00 19.08 ? 188 LYS B CG 1 ATOM 3880 C CD . LYS B 1 108 ? -47.408 -41.646 71.573 1.00 24.44 ? 188 LYS B CD 1 ATOM 3881 C CE . LYS B 1 108 ? -48.337 -41.483 72.763 1.00 29.95 ? 188 LYS B CE 1 ATOM 3882 N NZ . LYS B 1 108 ? -49.316 -42.599 72.857 1.00 33.15 ? 188 LYS B NZ 1 ATOM 3883 N N . TRP B 1 109 ? -44.365 -44.335 68.055 1.00 11.96 ? 189 TRP B N 1 ATOM 3884 C CA . TRP B 1 109 ? -43.560 -44.069 66.870 1.00 11.77 ? 189 TRP B CA 1 ATOM 3885 C C . TRP B 1 109 ? -43.336 -42.582 66.679 1.00 11.78 ? 189 TRP B C 1 ATOM 3886 O O . TRP B 1 109 ? -44.260 -41.775 66.828 1.00 12.27 ? 189 TRP B O 1 ATOM 3887 C CB . TRP B 1 109 ? -44.228 -44.636 65.615 1.00 12.03 ? 189 TRP B CB 1 ATOM 3888 C CG . TRP B 1 109 ? -44.056 -46.104 65.465 1.00 11.96 ? 189 TRP B CG 1 ATOM 3889 C CD1 . TRP B 1 109 ? -44.989 -47.069 65.707 1.00 13.07 ? 189 TRP B CD1 1 ATOM 3890 C CD2 . TRP B 1 109 ? -42.866 -46.786 65.054 1.00 13.22 ? 189 TRP B CD2 1 ATOM 3891 N NE1 . TRP B 1 109 ? -44.454 -48.311 65.464 1.00 13.80 ? 189 TRP B NE1 1 ATOM 3892 C CE2 . TRP B 1 109 ? -43.152 -48.165 65.063 1.00 14.24 ? 189 TRP B CE2 1 ATOM 3893 C CE3 . TRP B 1 109 ? -41.588 -46.363 64.673 1.00 13.59 ? 189 TRP B CE3 1 ATOM 3894 C CZ2 . TRP B 1 109 ? -42.205 -49.126 64.707 1.00 15.86 ? 189 TRP B CZ2 1 ATOM 3895 C CZ3 . TRP B 1 109 ? -40.648 -47.319 64.324 1.00 16.29 ? 189 TRP B CZ3 1 ATOM 3896 C CH2 . TRP B 1 109 ? -40.962 -48.683 64.343 1.00 16.45 ? 189 TRP B CH2 1 ATOM 3897 N N . LEU B 1 110 ? -42.101 -42.233 66.341 1.00 10.95 ? 190 LEU B N 1 ATOM 3898 C CA . LEU B 1 110 ? -41.739 -40.882 65.956 1.00 10.29 ? 190 LEU B CA 1 ATOM 3899 C C . LEU B 1 110 ? -41.388 -40.897 64.479 1.00 10.85 ? 190 LEU B C 1 ATOM 3900 O O . LEU B 1 110 ? -40.573 -41.703 64.041 1.00 11.80 ? 190 LEU B O 1 ATOM 3901 C CB . LEU B 1 110 ? -40.525 -40.416 66.757 1.00 11.57 ? 190 LEU B CB 1 ATOM 3902 C CG . LEU B 1 110 ? -40.013 -39.006 66.457 1.00 13.52 ? 190 LEU B CG 1 ATOM 3903 C CD1 . LEU B 1 110 ? -40.906 -37.960 67.108 1.00 14.45 ? 190 LEU B CD1 1 ATOM 3904 C CD2 . LEU B 1 110 ? -38.580 -38.859 66.939 1.00 15.66 ? 190 LEU B CD2 1 ATOM 3905 N N . ALA B 1 111 ? -42.023 -40.025 63.706 1.00 11.05 ? 191 ALA B N 1 ATOM 3906 C CA . ALA B 1 111 ? -41.694 -39.903 62.293 1.00 11.98 ? 191 ALA B CA 1 ATOM 3907 C C . ALA B 1 111 ? -41.432 -38.446 61.954 1.00 12.65 ? 191 ALA B C 1 ATOM 3908 O O . ALA B 1 111 ? -42.248 -37.577 62.257 1.00 14.84 ? 191 ALA B O 1 ATOM 3909 C CB . ALA B 1 111 ? -42.815 -40.465 61.430 1.00 14.18 ? 191 ALA B CB 1 ATOM 3910 N N . VAL B 1 112 ? -40.285 -38.183 61.334 1.00 11.24 ? 192 VAL B N 1 ATOM 3911 C CA . VAL B 1 112 ? -39.915 -36.832 60.936 1.00 11.03 ? 192 VAL B CA 1 ATOM 3912 C C . VAL B 1 112 ? -39.890 -36.756 59.416 1.00 10.15 ? 192 VAL B C 1 ATOM 3913 O O . VAL B 1 112 ? -39.096 -37.440 58.772 1.00 11.27 ? 192 VAL B O 1 ATOM 3914 C CB . VAL B 1 112 ? -38.531 -36.445 61.483 1.00 11.53 ? 192 VAL B CB 1 ATOM 3915 C CG1 . VAL B 1 112 ? -38.190 -35.013 61.099 1.00 13.29 ? 192 VAL B CG1 1 ATOM 3916 C CG2 . VAL B 1 112 ? -38.489 -36.618 62.999 1.00 12.68 ? 192 VAL B CG2 1 ATOM 3917 N N . GLY B 1 113 ? -40.771 -35.936 58.850 1.00 9.83 ? 193 GLY B N 1 ATOM 3918 C CA . GLY B 1 113 ? -40.902 -35.830 57.407 1.00 9.97 ? 193 GLY B CA 1 ATOM 3919 C C . GLY B 1 113 ? -40.770 -34.403 56.912 1.00 9.18 ? 193 GLY B C 1 ATOM 3920 O O . GLY B 1 113 ? -41.472 -33.503 57.382 1.00 10.92 ? 193 GLY B O 1 ATOM 3921 N N . ILE B 1 114 ? -39.865 -34.199 55.961 1.00 8.43 ? 194 ILE B N 1 ATOM 3922 C CA . ILE B 1 114 ? -39.612 -32.878 55.402 1.00 9.97 ? 194 ILE B CA 1 ATOM 3923 C C . ILE B 1 114 ? -40.315 -32.705 54.063 1.00 9.95 ? 194 ILE B C 1 ATOM 3924 O O . ILE B 1 114 ? -40.209 -33.558 53.179 1.00 11.02 ? 194 ILE B O 1 ATOM 3925 C CB . ILE B 1 114 ? -38.102 -32.650 55.196 1.00 10.09 ? 194 ILE B CB 1 ATOM 3926 C CG1 . ILE B 1 114 ? -37.361 -32.771 56.530 1.00 11.68 ? 194 ILE B CG1 1 ATOM 3927 C CG2 . ILE B 1 114 ? -37.843 -31.295 54.534 1.00 10.82 ? 194 ILE B CG2 1 ATOM 3928 C CD1 . ILE B 1 114 ? -35.871 -32.986 56.369 1.00 13.19 ? 194 ILE B CD1 1 ATOM 3929 N N . SER B 1 115 ? -41.038 -31.600 53.919 1.00 8.98 ? 195 SER B N 1 ATOM 3930 C CA . SER B 1 115 ? -41.646 -31.259 52.639 1.00 10.70 ? 195 SER B CA 1 ATOM 3931 C C . SER B 1 115 ? -41.563 -29.749 52.427 1.00 10.82 ? 195 SER B C 1 ATOM 3932 O O . SER B 1 115 ? -40.936 -29.041 53.216 1.00 10.96 ? 195 SER B O 1 ATOM 3933 C CB . SER B 1 115 ? -43.095 -31.760 52.570 1.00 11.17 ? 195 SER B CB 1 ATOM 3934 O OG . SER B 1 115 ? -43.593 -31.709 51.242 1.00 11.49 ? 195 SER B OG 1 ATOM 3935 N N . GLY B 1 116 ? -42.177 -29.258 51.356 1.00 10.72 ? 196 GLY B N 1 ATOM 3936 C CA . GLY B 1 116 ? -42.117 -27.844 51.034 1.00 12.32 ? 196 GLY B CA 1 ATOM 3937 C C . GLY B 1 116 ? -41.096 -27.543 49.953 1.00 11.23 ? 196 GLY B C 1 ATOM 3938 O O . GLY B 1 116 ? -40.459 -28.451 49.416 1.00 11.90 ? 196 GLY B O 1 ATOM 3939 N N . ALA B 1 117 ? -40.941 -26.260 49.642 1.00 11.60 ? 197 ALA B N 1 ATOM 3940 C CA . ALA B 1 117 ? -40.026 -25.802 48.599 1.00 12.53 ? 197 ALA B CA 1 ATOM 3941 C C . ALA B 1 117 ? -38.563 -25.928 49.024 1.00 13.09 ? 197 ALA B C 1 ATOM 3942 O O . ALA B 1 117 ? -38.250 -25.912 50.216 1.00 12.89 ? 197 ALA B O 1 ATOM 3943 C CB . ALA B 1 117 ? -40.346 -24.360 48.224 1.00 14.12 ? 197 ALA B CB 1 ATOM 3944 N N . ASP B 1 118 ? -37.669 -26.047 48.044 1.00 13.81 ? 198 ASP B N 1 ATOM 3945 C CA . ASP B 1 118 ? -36.243 -26.180 48.324 1.00 13.43 ? 198 ASP B CA 1 ATOM 3946 C C . ASP B 1 118 ? -35.715 -25.031 49.181 1.00 13.88 ? 198 ASP B C 1 ATOM 3947 O O . ASP B 1 118 ? -34.846 -25.233 50.029 1.00 14.99 ? 198 ASP B O 1 ATOM 3948 C CB . ASP B 1 118 ? -35.434 -26.266 47.025 1.00 14.34 ? 198 ASP B CB 1 ATOM 3949 C CG . ASP B 1 118 ? -35.560 -27.616 46.338 1.00 15.89 ? 198 ASP B CG 1 ATOM 3950 O OD1 . ASP B 1 118 ? -36.238 -28.512 46.883 1.00 17.38 ? 198 ASP B OD1 1 ATOM 3951 O OD2 . ASP B 1 118 ? -34.967 -27.784 45.248 1.00 16.95 ? 198 ASP B OD2 1 ATOM 3952 N N . ASP B 1 119 ? -36.236 -23.827 48.957 1.00 14.84 ? 199 ASP B N 1 ATOM 3953 C CA . ASP B 1 119 ? -35.737 -22.649 49.663 1.00 16.53 ? 199 ASP B CA 1 ATOM 3954 C C . ASP B 1 119 ? -36.524 -22.301 50.929 1.00 15.31 ? 199 ASP B C 1 ATOM 3955 O O . ASP B 1 119 ? -36.300 -21.254 51.532 1.00 16.95 ? 199 ASP B O 1 ATOM 3956 C CB . ASP B 1 119 ? -35.650 -21.437 48.727 1.00 19.55 ? 199 ASP B CB 1 ATOM 3957 C CG . ASP B 1 119 ? -37.012 -20.923 48.290 1.00 22.85 ? 199 ASP B CG 1 ATOM 3958 O OD1 . ASP B 1 119 ? -38.034 -21.569 48.597 1.00 23.88 ? 199 ASP B OD1 1 ATOM 3959 O OD2 . ASP B 1 119 ? -37.058 -19.861 47.632 1.00 26.65 ? 199 ASP B OD2 1 ATOM 3960 N N . ASP B 1 120 ? -37.429 -23.182 51.343 1.00 13.31 ? 200 ASP B N 1 ATOM 3961 C CA . ASP B 1 120 ? -38.214 -22.936 52.550 1.00 13.95 ? 200 ASP B CA 1 ATOM 3962 C C . ASP B 1 120 ? -38.920 -24.205 53.019 1.00 13.54 ? 200 ASP B C 1 ATOM 3963 O O . ASP B 1 120 ? -40.119 -24.198 53.317 1.00 15.18 ? 200 ASP B O 1 ATOM 3964 C CB . ASP B 1 120 ? -39.228 -21.813 52.305 1.00 17.66 ? 200 ASP B CB 1 ATOM 3965 C CG . ASP B 1 120 ? -39.392 -20.896 53.506 1.00 22.63 ? 200 ASP B CG 1 ATOM 3966 O OD1 . ASP B 1 120 ? -38.800 -21.178 54.570 1.00 24.21 ? 200 ASP B OD1 1 ATOM 3967 O OD2 . ASP B 1 120 ? -40.116 -19.886 53.382 1.00 26.40 ? 200 ASP B OD2 1 ATOM 3968 N N . ALA B 1 121 ? -38.164 -25.294 53.081 1.00 12.17 ? 201 ALA B N 1 ATOM 3969 C CA . ALA B 1 121 ? -38.706 -26.577 53.502 1.00 10.94 ? 201 ALA B CA 1 ATOM 3970 C C . ALA B 1 121 ? -38.890 -26.611 55.010 1.00 11.56 ? 201 ALA B C 1 ATOM 3971 O O . ALA B 1 121 ? -38.308 -25.808 55.737 1.00 12.23 ? 201 ALA B O 1 ATOM 3972 C CB . ALA B 1 121 ? -37.790 -27.708 53.053 1.00 12.58 ? 201 ALA B CB 1 ATOM 3973 N N . TYR B 1 122 ? -39.714 -27.535 55.484 1.00 10.36 ? 202 TYR B N 1 ATOM 3974 C CA . TYR B 1 122 ? -39.838 -27.733 56.917 1.00 9.49 ? 202 TYR B CA 1 ATOM 3975 C C . TYR B 1 122 ? -40.139 -29.178 57.254 1.00 10.25 ? 202 TYR B C 1 ATOM 3976 O O . TYR B 1 122 ? -40.794 -29.886 56.489 1.00 10.49 ? 202 TYR B O 1 ATOM 3977 C CB . TYR B 1 122 ? -40.879 -26.787 57.536 1.00 10.37 ? 202 TYR B CB 1 ATOM 3978 C CG . TYR B 1 122 ? -42.318 -26.995 57.102 1.00 9.37 ? 202 TYR B CG 1 ATOM 3979 C CD1 . TYR B 1 122 ? -43.192 -27.757 57.868 1.00 10.55 ? 202 TYR B CD1 1 ATOM 3980 C CD2 . TYR B 1 122 ? -42.815 -26.397 55.950 1.00 10.13 ? 202 TYR B CD2 1 ATOM 3981 C CE1 . TYR B 1 122 ? -44.514 -27.934 57.491 1.00 10.68 ? 202 TYR B CE1 1 ATOM 3982 C CE2 . TYR B 1 122 ? -44.140 -26.572 55.563 1.00 10.34 ? 202 TYR B CE2 1 ATOM 3983 C CZ . TYR B 1 122 ? -44.985 -27.339 56.339 1.00 10.72 ? 202 TYR B CZ 1 ATOM 3984 O OH . TYR B 1 122 ? -46.304 -27.519 55.972 1.00 12.10 ? 202 TYR B OH 1 ATOM 3985 N N . ALA B 1 123 ? -39.623 -29.612 58.397 1.00 10.32 ? 203 ALA B N 1 ATOM 3986 C CA . ALA B 1 123 ? -39.905 -30.935 58.910 1.00 10.83 ? 203 ALA B CA 1 ATOM 3987 C C . ALA B 1 123 ? -41.155 -30.878 59.769 1.00 10.02 ? 203 ALA B C 1 ATOM 3988 O O . ALA B 1 123 ? -41.326 -29.960 60.571 1.00 11.53 ? 203 ALA B O 1 ATOM 3989 C CB . ALA B 1 123 ? -38.727 -31.444 59.729 1.00 11.48 ? 203 ALA B CB 1 ATOM 3990 N N . VAL B 1 124 ? -42.044 -31.845 59.582 1.00 9.49 ? 204 VAL B N 1 ATOM 3991 C CA . VAL B 1 124 ? -43.153 -32.031 60.506 1.00 8.54 ? 204 VAL B CA 1 ATOM 3992 C C . VAL B 1 124 ? -42.855 -33.265 61.343 1.00 9.71 ? 204 VAL B C 1 ATOM 3993 O O . VAL B 1 124 ? -42.523 -34.330 60.811 1.00 10.63 ? 204 VAL B O 1 ATOM 3994 C CB . VAL B 1 124 ? -44.498 -32.203 59.776 1.00 9.01 ? 204 VAL B CB 1 ATOM 3995 C CG1 . VAL B 1 124 ? -45.609 -32.524 60.771 1.00 8.84 ? 204 VAL B CG1 1 ATOM 3996 C CG2 . VAL B 1 124 ? -44.832 -30.949 58.989 1.00 10.59 ? 204 VAL B CG2 1 ATOM 3997 N N . ILE B 1 125 ? -42.948 -33.106 62.656 1.00 10.07 ? 205 ILE B N 1 ATOM 3998 C CA . ILE B 1 125 ? -42.690 -34.198 63.573 1.00 10.10 ? 205 ILE B CA 1 ATOM 3999 C C . ILE B 1 125 ? -44.012 -34.841 63.951 1.00 10.31 ? 205 ILE B C 1 ATOM 4000 O O . ILE B 1 125 ? -44.921 -34.177 64.449 1.00 12.47 ? 205 ILE B O 1 ATOM 4001 C CB . ILE B 1 125 ? -41.955 -33.707 64.829 1.00 12.05 ? 205 ILE B CB 1 ATOM 4002 C CG1 . ILE B 1 125 ? -40.659 -33.005 64.420 1.00 15.88 ? 205 ILE B CG1 1 ATOM 4003 C CG2 . ILE B 1 125 ? -41.658 -34.870 65.763 1.00 13.24 ? 205 ILE B CG2 1 ATOM 4004 C CD1 . ILE B 1 125 ? -39.896 -32.417 65.562 1.00 19.06 ? 205 ILE B CD1 1 ATOM 4005 N N . HIS B 1 126 ? -44.118 -36.134 63.676 1.00 10.48 ? 206 HIS B N 1 ATOM 4006 C CA . HIS B 1 126 ? -45.302 -36.915 64.002 1.00 10.61 ? 206 HIS B CA 1 ATOM 4007 C C . HIS B 1 126 ? -44.966 -37.826 65.168 1.00 10.35 ? 206 HIS B C 1 ATOM 4008 O O . HIS B 1 126 ? -43.974 -38.550 65.124 1.00 12.82 ? 206 HIS B O 1 ATOM 4009 C CB . HIS B 1 126 ? -45.708 -37.782 62.807 1.00 10.46 ? 206 HIS B CB 1 ATOM 4010 C CG . HIS B 1 126 ? -46.182 -37.008 61.614 1.00 10.09 ? 206 HIS B CG 1 ATOM 4011 N ND1 . HIS B 1 126 ? -45.325 -36.357 60.750 1.00 11.77 ? 206 HIS B ND1 1 ATOM 4012 C CD2 . HIS B 1 126 ? -47.428 -36.812 61.125 1.00 9.05 ? 206 HIS B CD2 1 ATOM 4013 C CE1 . HIS B 1 126 ? -46.028 -35.780 59.790 1.00 9.20 ? 206 HIS B CE1 1 ATOM 4014 N NE2 . HIS B 1 126 ? -47.306 -36.044 59.994 1.00 13.61 ? 206 HIS B NE2 1 ATOM 4015 N N . TYR B 1 127 ? -45.789 -37.801 66.210 1.00 9.71 ? 207 TYR B N 1 ATOM 4016 C CA . TYR B 1 127 ? -45.545 -38.646 67.368 1.00 10.06 ? 207 TYR B CA 1 ATOM 4017 C C . TYR B 1 127 ? -46.838 -39.346 67.750 1.00 12.73 ? 207 TYR B C 1 ATOM 4018 O O . TYR B 1 127 ? -47.829 -38.700 68.092 1.00 14.21 ? 207 TYR B O 1 ATOM 4019 C CB . TYR B 1 127 ? -45.012 -37.810 68.533 1.00 11.91 ? 207 TYR B CB 1 ATOM 4020 C CG . TYR B 1 127 ? -44.639 -38.623 69.752 1.00 11.54 ? 207 TYR B CG 1 ATOM 4021 C CD1 . TYR B 1 127 ? -43.494 -39.413 69.761 1.00 12.35 ? 207 TYR B CD1 1 ATOM 4022 C CD2 . TYR B 1 127 ? -45.428 -38.598 70.896 1.00 12.35 ? 207 TYR B CD2 1 ATOM 4023 C CE1 . TYR B 1 127 ? -43.148 -40.158 70.872 1.00 12.17 ? 207 TYR B CE1 1 ATOM 4024 C CE2 . TYR B 1 127 ? -45.089 -39.337 72.011 1.00 13.24 ? 207 TYR B CE2 1 ATOM 4025 C CZ . TYR B 1 127 ? -43.953 -40.117 71.994 1.00 12.57 ? 207 TYR B CZ 1 ATOM 4026 O OH . TYR B 1 127 ? -43.622 -40.853 73.107 1.00 15.04 ? 207 TYR B OH 1 ATOM 4027 N N . GLY B 1 128 ? -46.831 -40.672 67.679 1.00 13.25 ? 208 GLY B N 1 ATOM 4028 C CA . GLY B 1 128 ? -48.050 -41.432 67.888 1.00 14.26 ? 208 GLY B CA 1 ATOM 4029 C C . GLY B 1 128 ? -49.103 -41.065 66.859 1.00 15.60 ? 208 GLY B C 1 ATOM 4030 O O . GLY B 1 128 ? -50.302 -41.168 67.117 1.00 16.62 ? 208 GLY B O 1 ATOM 4031 N N . GLY B 1 129 ? -48.650 -40.625 65.688 1.00 15.10 ? 209 GLY B N 1 ATOM 4032 C CA . GLY B 1 129 ? -49.546 -40.283 64.597 1.00 17.27 ? 209 GLY B CA 1 ATOM 4033 C C . GLY B 1 129 ? -50.079 -38.861 64.633 1.00 19.19 ? 209 GLY B C 1 ATOM 4034 O O . GLY B 1 129 ? -50.826 -38.452 63.745 1.00 21.27 ? 209 GLY B O 1 ATOM 4035 N N . MET B 1 130 ? -49.705 -38.102 65.656 1.00 18.22 ? 210 MET B N 1 ATOM 4036 C CA . MET B 1 130 ? -50.150 -36.717 65.757 1.00 19.72 ? 210 MET B CA 1 ATOM 4037 C C . MET B 1 130 ? -49.015 -35.748 65.434 1.00 16.43 ? 210 MET B C 1 ATOM 4038 O O . MET B 1 130 ? -47.874 -35.956 65.852 1.00 15.64 ? 210 MET B O 1 ATOM 4039 C CB . MET B 1 130 ? -50.716 -36.429 67.150 1.00 23.52 ? 210 MET B CB 1 ATOM 4040 C CG . MET B 1 130 ? -51.880 -37.330 67.556 1.00 27.60 ? 210 MET B CG 1 ATOM 4041 S SD . MET B 1 130 ? -53.313 -37.274 66.455 1.00 31.43 ? 210 MET B SD 1 ATOM 4042 C CE . MET B 1 130 ? -53.247 -38.919 65.749 1.00 33.22 ? 210 MET B CE 1 ATOM 4043 N N . PRO B 1 131 ? -49.324 -34.685 64.679 1.00 14.87 ? 211 PRO B N 1 ATOM 4044 C CA . PRO B 1 131 ? -48.325 -33.654 64.388 1.00 14.59 ? 211 PRO B CA 1 ATOM 4045 C C . PRO B 1 131 ? -48.050 -32.855 65.655 1.00 15.88 ? 211 PRO B C 1 ATOM 4046 O O . PRO B 1 131 ? -48.946 -32.190 66.172 1.00 21.11 ? 211 PRO B O 1 ATOM 4047 C CB . PRO B 1 131 ? -49.022 -32.784 63.341 1.00 16.85 ? 211 PRO B CB 1 ATOM 4048 C CG . PRO B 1 131 ? -50.471 -32.936 63.641 1.00 17.00 ? 211 PRO B CG 1 ATOM 4049 C CD . PRO B 1 131 ? -50.648 -34.348 64.129 1.00 17.15 ? 211 PRO B CD 1 ATOM 4050 N N . THR B 1 132 ? -46.824 -32.931 66.154 1.00 11.96 ? 212 THR B N 1 ATOM 4051 C CA . THR B 1 132 ? -46.497 -32.340 67.444 1.00 11.90 ? 212 THR B CA 1 ATOM 4052 C C . THR B 1 132 ? -45.623 -31.094 67.335 1.00 11.98 ? 212 THR B C 1 ATOM 4053 O O . THR B 1 132 ? -45.704 -30.203 68.175 1.00 13.58 ? 212 THR B O 1 ATOM 4054 C CB . THR B 1 132 ? -45.791 -33.364 68.355 1.00 13.14 ? 212 THR B CB 1 ATOM 4055 O OG1 . THR B 1 132 ? -44.758 -34.022 67.610 1.00 14.05 ? 212 THR B OG1 1 ATOM 4056 C CG2 . THR B 1 132 ? -46.780 -34.408 68.859 1.00 15.22 ? 212 THR B CG2 1 ATOM 4057 N N . ASP B 1 133 ? -44.782 -31.024 66.310 1.00 11.60 ? 213 ASP B N 1 ATOM 4058 C CA . ASP B 1 133 ? -43.835 -29.917 66.222 1.00 11.64 ? 213 ASP B CA 1 ATOM 4059 C C . ASP B 1 133 ? -43.315 -29.790 64.797 1.00 11.48 ? 213 ASP B C 1 ATOM 4060 O O . ASP B 1 133 ? -43.582 -30.645 63.951 1.00 11.45 ? 213 ASP B O 1 ATOM 4061 C CB . ASP B 1 133 ? -42.678 -30.141 67.208 1.00 11.83 ? 213 ASP B CB 1 ATOM 4062 C CG . ASP B 1 133 ? -42.025 -28.844 67.671 1.00 13.59 ? 213 ASP B CG 1 ATOM 4063 O OD1 . ASP B 1 133 ? -42.397 -27.757 67.181 1.00 14.61 ? 213 ASP B OD1 1 ATOM 4064 O OD2 . ASP B 1 133 ? -41.128 -28.916 68.537 1.00 16.10 ? 213 ASP B OD2 1 ATOM 4065 N N . VAL B 1 134 ? -42.581 -28.715 64.538 1.00 11.38 ? 214 VAL B N 1 ATOM 4066 C CA . VAL B 1 134 ? -41.994 -28.484 63.228 1.00 11.95 ? 214 VAL B CA 1 ATOM 4067 C C . VAL B 1 134 ? -40.567 -27.978 63.382 1.00 13.48 ? 214 VAL B C 1 ATOM 4068 O O . VAL B 1 134 ? -40.230 -27.346 64.382 1.00 15.82 ? 214 VAL B O 1 ATOM 4069 C CB . VAL B 1 134 ? -42.804 -27.446 62.412 1.00 15.00 ? 214 VAL B CB 1 ATOM 4070 C CG1 . VAL B 1 134 ? -44.239 -27.911 62.219 1.00 15.59 ? 214 VAL B CG1 1 ATOM 4071 C CG2 . VAL B 1 134 ? -42.769 -26.091 63.091 1.00 17.88 ? 214 VAL B CG2 1 ATOM 4072 N N . VAL B 1 135 ? -39.731 -28.269 62.392 1.00 11.71 ? 215 VAL B N 1 ATOM 4073 C CA . VAL B 1 135 ? -38.394 -27.697 62.323 1.00 12.08 ? 215 VAL B CA 1 ATOM 4074 C C . VAL B 1 135 ? -38.259 -26.994 60.985 1.00 12.05 ? 215 VAL B C 1 ATOM 4075 O O . VAL B 1 135 ? -38.410 -27.615 59.935 1.00 12.39 ? 215 VAL B O 1 ATOM 4076 C CB . VAL B 1 135 ? -37.296 -28.773 62.414 1.00 13.81 ? 215 VAL B CB 1 ATOM 4077 C CG1 . VAL B 1 135 ? -35.918 -28.140 62.235 1.00 14.66 ? 215 VAL B CG1 1 ATOM 4078 C CG2 . VAL B 1 135 ? -37.385 -29.523 63.740 1.00 15.78 ? 215 VAL B CG2 1 ATOM 4079 N N . ARG B 1 136 ? -37.987 -25.698 61.013 1.00 13.10 ? 216 ARG B N 1 ATOM 4080 C CA . ARG B 1 136 ? -37.833 -24.961 59.770 1.00 13.58 ? 216 ARG B CA 1 ATOM 4081 C C . ARG B 1 136 ? -36.409 -25.025 59.237 1.00 11.97 ? 216 ARG B C 1 ATOM 4082 O O . ARG B 1 136 ? -35.454 -25.214 59.988 1.00 14.07 ? 216 ARG B O 1 ATOM 4083 C CB . ARG B 1 136 ? -38.282 -23.509 59.936 1.00 16.27 ? 216 ARG B CB 1 ATOM 4084 C CG . ARG B 1 136 ? -39.781 -23.358 60.123 1.00 20.16 ? 216 ARG B CG 1 ATOM 4085 C CD . ARG B 1 136 ? -40.216 -21.919 59.968 1.00 22.84 ? 216 ARG B CD 1 ATOM 4086 N NE . ARG B 1 136 ? -39.934 -21.399 58.632 1.00 23.97 ? 216 ARG B NE 1 ATOM 4087 C CZ . ARG B 1 136 ? -40.231 -20.164 58.242 1.00 26.60 ? 216 ARG B CZ 1 ATOM 4088 N NH1 . ARG B 1 136 ? -40.819 -19.328 59.088 1.00 28.51 ? 216 ARG B NH1 1 ATOM 4089 N NH2 . ARG B 1 136 ? -39.942 -19.764 57.012 1.00 26.92 ? 216 ARG B NH2 1 ATOM 4090 N N . SER B 1 137 ? -36.284 -24.883 57.925 1.00 12.15 ? 217 SER B N 1 ATOM 4091 C CA . SER B 1 137 ? -34.988 -24.765 57.280 1.00 12.20 ? 217 SER B CA 1 ATOM 4092 C C . SER B 1 137 ? -34.265 -23.526 57.804 1.00 12.87 ? 217 SER B C 1 ATOM 4093 O O . SER B 1 137 ? -34.839 -22.437 57.854 1.00 15.99 ? 217 SER B O 1 ATOM 4094 C CB . SER B 1 137 ? -35.189 -24.668 55.768 1.00 11.64 ? 217 SER B CB 1 ATOM 4095 O OG . SER B 1 137 ? -33.979 -24.396 55.093 1.00 12.27 ? 217 SER B OG 1 ATOM 4096 N N . TRP B 1 138 ? -33.009 -23.691 58.202 1.00 12.25 ? 218 TRP B N 1 ATOM 4097 C CA . TRP B 1 138 ? -32.249 -22.575 58.760 1.00 13.42 ? 218 TRP B CA 1 ATOM 4098 C C . TRP B 1 138 ? -31.260 -21.961 57.763 1.00 15.20 ? 218 TRP B C 1 ATOM 4099 O O . TRP B 1 138 ? -30.729 -20.873 58.002 1.00 16.87 ? 218 TRP B O 1 ATOM 4100 C CB . TRP B 1 138 ? -31.547 -22.984 60.065 1.00 13.02 ? 218 TRP B CB 1 ATOM 4101 C CG . TRP B 1 138 ? -30.400 -23.941 59.892 1.00 12.99 ? 218 TRP B CG 1 ATOM 4102 C CD1 . TRP B 1 138 ? -29.085 -23.618 59.719 1.00 13.52 ? 218 TRP B CD1 1 ATOM 4103 C CD2 . TRP B 1 138 ? -30.464 -25.374 59.889 1.00 13.44 ? 218 TRP B CD2 1 ATOM 4104 N NE1 . TRP B 1 138 ? -28.328 -24.758 59.605 1.00 13.07 ? 218 TRP B NE1 1 ATOM 4105 C CE2 . TRP B 1 138 ? -29.149 -25.850 59.706 1.00 13.33 ? 218 TRP B CE2 1 ATOM 4106 C CE3 . TRP B 1 138 ? -31.504 -26.301 60.023 1.00 13.48 ? 218 TRP B CE3 1 ATOM 4107 C CZ2 . TRP B 1 138 ? -28.846 -27.209 59.650 1.00 12.85 ? 218 TRP B CZ2 1 ATOM 4108 C CZ3 . TRP B 1 138 ? -31.200 -27.650 59.968 1.00 14.14 ? 218 TRP B CZ3 1 ATOM 4109 C CH2 . TRP B 1 138 ? -29.884 -28.091 59.777 1.00 13.60 ? 218 TRP B CH2 1 ATOM 4110 N N . ARG B 1 139 ? -31.022 -22.653 56.649 1.00 13.21 ? 219 ARG B N 1 ATOM 4111 C CA . ARG B 1 139 ? -30.154 -22.141 55.583 1.00 14.78 ? 219 ARG B CA 1 ATOM 4112 C C . ARG B 1 139 ? -30.910 -21.945 54.269 1.00 14.55 ? 219 ARG B C 1 ATOM 4113 O O . ARG B 1 139 ? -30.350 -21.441 53.293 1.00 15.95 ? 219 ARG B O 1 ATOM 4114 C CB . ARG B 1 139 ? -28.957 -23.071 55.347 1.00 16.56 ? 219 ARG B CB 1 ATOM 4115 C CG . ARG B 1 139 ? -27.921 -23.071 56.457 1.00 18.43 ? 219 ARG B CG 1 ATOM 4116 C CD . ARG B 1 139 ? -27.269 -21.703 56.616 1.00 22.52 ? 219 ARG B CD 1 ATOM 4117 N NE . ARG B 1 139 ? -26.236 -21.707 57.650 1.00 27.17 ? 219 ARG B NE 1 ATOM 4118 C CZ . ARG B 1 139 ? -24.958 -21.999 57.427 1.00 28.95 ? 219 ARG B CZ 1 ATOM 4119 N NH1 . ARG B 1 139 ? -24.549 -22.317 56.205 1.00 30.09 ? 219 ARG B NH1 1 ATOM 4120 N NH2 . ARG B 1 139 ? -24.087 -21.976 58.427 1.00 28.85 ? 219 ARG B NH2 1 ATOM 4121 N N . LYS B 1 140 ? -32.175 -22.357 54.246 1.00 14.77 ? 220 LYS B N 1 ATOM 4122 C CA . LYS B 1 140 ? -33.026 -22.192 53.069 1.00 14.28 ? 220 LYS B CA 1 ATOM 4123 C C . LYS B 1 140 ? -32.447 -22.886 51.838 1.00 13.70 ? 220 LYS B C 1 ATOM 4124 O O . LYS B 1 140 ? -32.527 -22.368 50.722 1.00 14.30 ? 220 LYS B O 1 ATOM 4125 C CB . LYS B 1 140 ? -33.271 -20.707 52.782 1.00 15.86 ? 220 LYS B CB 1 ATOM 4126 C CG . LYS B 1 140 ? -33.772 -19.928 53.988 1.00 18.19 ? 220 LYS B CG 1 ATOM 4127 C CD . LYS B 1 140 ? -35.000 -20.579 54.615 1.00 19.98 ? 220 LYS B CD 1 ATOM 4128 C CE . LYS B 1 140 ? -35.413 -19.851 55.886 1.00 22.82 ? 220 LYS B CE 1 ATOM 4129 N NZ . LYS B 1 140 ? -36.573 -20.505 56.554 1.00 24.81 ? 220 LYS B NZ 1 ATOM 4130 N N . GLN B 1 141 ? -31.871 -24.065 52.044 1.00 12.94 ? 221 GLN B N 1 ATOM 4131 C CA . GLN B 1 141 ? -31.245 -24.800 50.952 1.00 13.57 ? 221 GLN B CA 1 ATOM 4132 C C . GLN B 1 141 ? -31.394 -26.310 51.127 1.00 11.71 ? 221 GLN B C 1 ATOM 4133 O O . GLN B 1 141 ? -30.439 -27.012 51.474 1.00 12.62 ? 221 GLN B O 1 ATOM 4134 C CB . GLN B 1 141 ? -29.772 -24.412 50.814 1.00 16.04 ? 221 GLN B CB 1 ATOM 4135 C CG . GLN B 1 141 ? -29.128 -24.936 49.540 1.00 19.72 ? 221 GLN B CG 1 ATOM 4136 C CD . GLN B 1 141 ? -27.899 -24.144 49.133 1.00 22.77 ? 221 GLN B CD 1 ATOM 4137 O OE1 . GLN B 1 141 ? -27.440 -23.264 49.866 1.00 25.38 ? 221 GLN B OE1 1 ATOM 4138 N NE2 . GLN B 1 141 ? -27.359 -24.452 47.958 1.00 23.37 ? 221 GLN B NE2 1 ATOM 4139 N N . ILE B 1 142 ? -32.608 -26.792 50.881 1.00 12.33 ? 222 ILE B N 1 ATOM 4140 C CA . ILE B 1 142 ? -32.939 -28.215 50.946 1.00 12.08 ? 222 ILE B CA 1 ATOM 4141 C C . ILE B 1 142 ? -32.647 -28.854 52.306 1.00 11.05 ? 222 ILE B C 1 ATOM 4142 O O . ILE B 1 142 ? -31.797 -29.742 52.432 1.00 12.05 ? 222 ILE B O 1 ATOM 4143 C CB . ILE B 1 142 ? -32.267 -29.019 49.810 1.00 12.71 ? 222 ILE B CB 1 ATOM 4144 C CG1 . ILE B 1 142 ? -32.417 -28.280 48.478 1.00 14.61 ? 222 ILE B CG1 1 ATOM 4145 C CG2 . ILE B 1 142 ? -32.876 -30.412 49.709 1.00 14.37 ? 222 ILE B CG2 1 ATOM 4146 C CD1 . ILE B 1 142 ? -31.827 -29.019 47.292 1.00 17.86 ? 222 ILE B CD1 1 ATOM 4147 N N . LEU B 1 143 ? -33.366 -28.399 53.326 1.00 9.87 ? 223 LEU B N 1 ATOM 4148 C CA . LEU B 1 143 ? -33.361 -29.074 54.617 1.00 9.21 ? 223 LEU B CA 1 ATOM 4149 C C . LEU B 1 143 ? -33.575 -30.565 54.384 1.00 9.50 ? 223 LEU B C 1 ATOM 4150 O O . LEU B 1 143 ? -34.505 -30.959 53.683 1.00 10.58 ? 223 LEU B O 1 ATOM 4151 C CB . LEU B 1 143 ? -34.488 -28.531 55.490 1.00 10.65 ? 223 LEU B CB 1 ATOM 4152 C CG . LEU B 1 143 ? -34.664 -29.186 56.857 1.00 8.93 ? 223 LEU B CG 1 ATOM 4153 C CD1 . LEU B 1 143 ? -33.463 -28.891 57.742 1.00 10.93 ? 223 LEU B CD1 1 ATOM 4154 C CD2 . LEU B 1 143 ? -35.949 -28.695 57.503 1.00 10.76 ? 223 LEU B CD2 1 ATOM 4155 N N . ARG B 1 144 ? -32.724 -31.397 54.973 1.00 9.86 ? 224 ARG B N 1 ATOM 4156 C CA . ARG B 1 144 ? -32.781 -32.828 54.701 1.00 9.15 ? 224 ARG B CA 1 ATOM 4157 C C . ARG B 1 144 ? -32.228 -33.640 55.862 1.00 9.38 ? 224 ARG B C 1 ATOM 4158 O O . ARG B 1 144 ? -31.527 -33.110 56.720 1.00 10.90 ? 224 ARG B O 1 ATOM 4159 C CB . ARG B 1 144 ? -32.031 -33.147 53.404 1.00 9.47 ? 224 ARG B CB 1 ATOM 4160 C CG . ARG B 1 144 ? -30.585 -32.656 53.366 1.00 10.53 ? 224 ARG B CG 1 ATOM 4161 C CD . ARG B 1 144 ? -30.123 -32.568 51.923 1.00 10.85 ? 224 ARG B CD 1 ATOM 4162 N NE . ARG B 1 144 ? -28.718 -32.209 51.754 1.00 11.24 ? 224 ARG B NE 1 ATOM 4163 C CZ . ARG B 1 144 ? -28.263 -30.962 51.677 1.00 10.87 ? 224 ARG B CZ 1 ATOM 4164 N NH1 . ARG B 1 144 ? -29.099 -29.941 51.795 1.00 11.44 ? 224 ARG B NH1 1 ATOM 4165 N NH2 . ARG B 1 144 ? -26.968 -30.738 51.497 1.00 12.16 ? 224 ARG B NH2 1 ATOM 4166 N N . THR B 1 145 ? -32.550 -34.928 55.898 1.00 9.46 ? 225 THR B N 1 ATOM 4167 C CA . THR B 1 145 ? -32.169 -35.736 57.049 1.00 10.63 ? 225 THR B CA 1 ATOM 4168 C C . THR B 1 145 ? -31.683 -37.142 56.666 1.00 10.52 ? 225 THR B C 1 ATOM 4169 O O . THR B 1 145 ? -31.224 -37.360 55.544 1.00 10.89 ? 225 THR B O 1 ATOM 4170 C CB . THR B 1 145 ? -33.288 -35.744 58.133 1.00 9.76 ? 225 THR B CB 1 ATOM 4171 O OG1 . THR B 1 145 ? -32.790 -36.299 59.357 1.00 10.81 ? 225 THR B OG1 1 ATOM 4172 C CG2 . THR B 1 145 ? -34.523 -36.511 57.664 1.00 12.02 ? 225 THR B CG2 1 ATOM 4173 N N . GLN B 1 146 ? -31.781 -38.083 57.599 1.00 9.76 ? 226 GLN B N 1 ATOM 4174 C CA . GLN B 1 146 ? -31.002 -39.321 57.534 1.00 8.62 ? 226 GLN B CA 1 ATOM 4175 C C . GLN B 1 146 ? -31.380 -40.326 56.447 1.00 9.31 ? 226 GLN B C 1 ATOM 4176 O O . GLN B 1 146 ? -30.504 -40.979 55.880 1.00 9.67 ? 226 GLN B O 1 ATOM 4177 C CB . GLN B 1 146 ? -31.007 -40.017 58.898 1.00 9.36 ? 226 GLN B CB 1 ATOM 4178 C CG . GLN B 1 146 ? -30.308 -39.211 59.975 1.00 9.90 ? 226 GLN B CG 1 ATOM 4179 C CD . GLN B 1 146 ? -30.375 -39.851 61.346 1.00 11.18 ? 226 GLN B CD 1 ATOM 4180 O OE1 . GLN B 1 146 ? -30.224 -39.171 62.355 1.00 12.28 ? 226 GLN B OE1 1 ATOM 4181 N NE2 . GLN B 1 146 ? -30.599 -41.160 61.391 1.00 12.89 ? 226 GLN B NE2 1 ATOM 4182 N N . GLU B 1 147 ? -32.675 -40.455 56.171 1.00 9.43 ? 227 GLU B N 1 ATOM 4183 C CA . GLU B 1 147 ? -33.197 -41.536 55.328 1.00 9.66 ? 227 GLU B CA 1 ATOM 4184 C C . GLU B 1 147 ? -32.924 -42.896 55.982 1.00 8.37 ? 227 GLU B C 1 ATOM 4185 O O . GLU B 1 147 ? -32.762 -43.912 55.303 1.00 9.26 ? 227 GLU B O 1 ATOM 4186 C CB . GLU B 1 147 ? -32.629 -41.500 53.903 1.00 9.60 ? 227 GLU B CB 1 ATOM 4187 C CG . GLU B 1 147 ? -32.343 -40.110 53.325 1.00 11.72 ? 227 GLU B CG 1 ATOM 4188 C CD . GLU B 1 147 ? -33.547 -39.174 53.291 1.00 12.97 ? 227 GLU B CD 1 ATOM 4189 O OE1 . GLU B 1 147 ? -34.663 -39.567 53.694 1.00 13.95 ? 227 GLU B OE1 1 ATOM 4190 O OE2 . GLU B 1 147 ? -33.368 -38.021 52.854 1.00 13.92 ? 227 GLU B OE2 1 ATOM 4191 N N . SER B 1 148 ? -32.862 -42.895 57.309 1.00 9.37 ? 228 SER B N 1 ATOM 4192 C CA . SER B 1 148 ? -32.784 -44.126 58.089 1.00 9.90 ? 228 SER B CA 1 ATOM 4193 C C . SER B 1 148 ? -33.267 -43.869 59.511 1.00 9.14 ? 228 SER B C 1 ATOM 4194 O O . SER B 1 148 ? -33.655 -42.751 59.854 1.00 11.46 ? 228 SER B O 1 ATOM 4195 C CB . SER B 1 148 ? -31.376 -44.732 58.075 1.00 11.51 ? 228 SER B CB 1 ATOM 4196 O OG . SER B 1 148 ? -30.427 -43.877 58.680 1.00 11.48 ? 228 SER B OG 1 ATOM 4197 N N A SER B 1 149 ? -33.246 -44.907 60.337 0.61 8.08 ? 229 SER B N 1 ATOM 4198 N N B SER B 1 149 ? -33.243 -44.910 60.334 0.39 8.46 ? 229 SER B N 1 ATOM 4199 C CA A SER B 1 149 ? -33.796 -44.809 61.682 0.61 8.71 ? 229 SER B CA 1 ATOM 4200 C CA B SER B 1 149 ? -33.766 -44.826 61.691 0.39 8.83 ? 229 SER B CA 1 ATOM 4201 C C A SER B 1 149 ? -33.067 -43.785 62.544 0.61 9.41 ? 229 SER B C 1 ATOM 4202 C C B SER B 1 149 ? -33.059 -43.767 62.532 0.39 9.38 ? 229 SER B C 1 ATOM 4203 O O A SER B 1 149 ? -31.834 -43.701 62.529 0.61 11.10 ? 229 SER B O 1 ATOM 4204 O O B SER B 1 149 ? -31.833 -43.639 62.486 0.39 10.64 ? 229 SER B O 1 ATOM 4205 C CB A SER B 1 149 ? -33.774 -46.177 62.365 0.61 9.88 ? 229 SER B CB 1 ATOM 4206 C CB B SER B 1 149 ? -33.658 -46.188 62.380 0.39 9.59 ? 229 SER B CB 1 ATOM 4207 O OG A SER B 1 149 ? -32.454 -46.681 62.450 0.61 9.98 ? 229 SER B OG 1 ATOM 4208 O OG B SER B 1 149 ? -34.152 -46.134 63.707 0.39 9.83 ? 229 SER B OG 1 ATOM 4209 N N . CYS B 1 150 ? -33.838 -43.009 63.299 1.00 9.43 ? 230 CYS B N 1 ATOM 4210 C CA . CYS B 1 150 ? -33.267 -42.129 64.307 1.00 10.04 ? 230 CYS B CA 1 ATOM 4211 C C . CYS B 1 150 ? -32.974 -42.983 65.544 1.00 11.24 ? 230 CYS B C 1 ATOM 4212 O O . CYS B 1 150 ? -33.141 -44.203 65.510 1.00 11.51 ? 230 CYS B O 1 ATOM 4213 C CB . CYS B 1 150 ? -34.180 -40.926 64.617 1.00 11.13 ? 230 CYS B CB 1 ATOM 4214 S SG . CYS B 1 150 ? -35.981 -41.191 64.559 1.00 12.39 ? 230 CYS B SG 1 ATOM 4215 N N . VAL B 1 151 ? -32.520 -42.361 66.624 1.00 10.11 ? 231 VAL B N 1 ATOM 4216 C CA . VAL B 1 151 ? -32.129 -43.115 67.812 1.00 10.15 ? 231 VAL B CA 1 ATOM 4217 C C . VAL B 1 151 ? -32.841 -42.579 69.043 1.00 10.17 ? 231 VAL B C 1 ATOM 4218 O O . VAL B 1 151 ? -32.826 -41.377 69.295 1.00 11.80 ? 231 VAL B O 1 ATOM 4219 C CB . VAL B 1 151 ? -30.600 -43.059 68.032 1.00 11.09 ? 231 VAL B CB 1 ATOM 4220 C CG1 . VAL B 1 151 ? -30.219 -43.669 69.385 1.00 12.14 ? 231 VAL B CG1 1 ATOM 4221 C CG2 . VAL B 1 151 ? -29.877 -43.770 66.894 1.00 12.87 ? 231 VAL B CG2 1 ATOM 4222 N N . CYS B 1 152 ? -33.470 -43.472 69.803 1.00 10.60 ? 232 CYS B N 1 ATOM 4223 C CA . CYS B 1 152 ? -34.141 -43.087 71.038 1.00 12.85 ? 232 CYS B CA 1 ATOM 4224 C C . CYS B 1 152 ? -33.457 -43.738 72.231 1.00 13.75 ? 232 CYS B C 1 ATOM 4225 O O . CYS B 1 152 ? -33.204 -44.942 72.229 1.00 15.17 ? 232 CYS B O 1 ATOM 4226 C CB . CYS B 1 152 ? -35.620 -43.498 71.013 1.00 14.38 ? 232 CYS B CB 1 ATOM 4227 S SG . CYS B 1 152 ? -36.628 -42.733 69.706 1.00 14.08 ? 232 CYS B SG 1 ATOM 4228 N N . MET B 1 153 ? -33.154 -42.933 73.243 1.00 12.00 ? 233 MET B N 1 ATOM 4229 C CA . MET B 1 153 ? -32.615 -43.439 74.501 1.00 13.15 ? 233 MET B CA 1 ATOM 4230 C C . MET B 1 153 ? -33.284 -42.707 75.653 1.00 12.76 ? 233 MET B C 1 ATOM 4231 O O . MET B 1 153 ? -33.380 -41.480 75.640 1.00 13.90 ? 233 MET B O 1 ATOM 4232 C CB . MET B 1 153 ? -31.101 -43.228 74.577 1.00 16.02 ? 233 MET B CB 1 ATOM 4233 C CG . MET B 1 153 ? -30.307 -43.938 73.493 1.00 16.94 ? 233 MET B CG 1 ATOM 4234 S SD . MET B 1 153 ? -28.536 -43.583 73.585 1.00 18.51 ? 233 MET B SD 1 ATOM 4235 C CE . MET B 1 153 ? -28.534 -41.799 73.400 1.00 20.29 ? 233 MET B CE 1 ATOM 4236 N N . ASN B 1 154 ? -33.755 -43.462 76.640 1.00 14.05 ? 234 ASN B N 1 ATOM 4237 C CA . ASN B 1 154 ? -34.329 -42.875 77.847 1.00 16.46 ? 234 ASN B CA 1 ATOM 4238 C C . ASN B 1 154 ? -35.461 -41.884 77.578 1.00 16.17 ? 234 ASN B C 1 ATOM 4239 O O . ASN B 1 154 ? -35.634 -40.921 78.323 1.00 17.94 ? 234 ASN B O 1 ATOM 4240 C CB . ASN B 1 154 ? -33.237 -42.192 78.677 1.00 17.35 ? 234 ASN B CB 1 ATOM 4241 C CG . ASN B 1 154 ? -32.256 -43.180 79.278 1.00 19.74 ? 234 ASN B CG 1 ATOM 4242 O OD1 . ASN B 1 154 ? -32.625 -44.301 79.629 1.00 19.89 ? 234 ASN B OD1 1 ATOM 4243 N ND2 . ASN B 1 154 ? -30.999 -42.767 79.403 1.00 22.27 ? 234 ASN B ND2 1 ATOM 4244 N N . GLY B 1 155 ? -36.222 -42.116 76.512 1.00 14.00 ? 235 GLY B N 1 ATOM 4245 C CA . GLY B 1 155 ? -37.375 -41.282 76.213 1.00 13.96 ? 235 GLY B CA 1 ATOM 4246 C C . GLY B 1 155 ? -37.076 -40.058 75.363 1.00 13.81 ? 235 GLY B C 1 ATOM 4247 O O . GLY B 1 155 ? -37.977 -39.280 75.056 1.00 15.07 ? 235 GLY B O 1 ATOM 4248 N N . ASN B 1 156 ? -35.810 -39.877 75.001 1.00 12.93 ? 236 ASN B N 1 ATOM 4249 C CA . ASN B 1 156 ? -35.408 -38.805 74.096 1.00 13.27 ? 236 ASN B CA 1 ATOM 4250 C C . ASN B 1 156 ? -34.985 -39.396 72.762 1.00 11.71 ? 236 ASN B C 1 ATOM 4251 O O . ASN B 1 156 ? -34.317 -40.428 72.728 1.00 13.73 ? 236 ASN B O 1 ATOM 4252 C CB . ASN B 1 156 ? -34.236 -38.016 74.678 1.00 14.62 ? 236 ASN B CB 1 ATOM 4253 C CG . ASN B 1 156 ? -34.525 -37.476 76.060 1.00 16.80 ? 236 ASN B CG 1 ATOM 4254 O OD1 . ASN B 1 156 ? -33.741 -37.669 76.989 1.00 19.28 ? 236 ASN B OD1 1 ATOM 4255 N ND2 . ASN B 1 156 ? -35.655 -36.799 76.205 1.00 16.42 ? 236 ASN B ND2 1 ATOM 4256 N N . CYS B 1 157 ? -35.364 -38.748 71.665 1.00 12.11 ? 237 CYS B N 1 ATOM 4257 C CA . CYS B 1 157 ? -34.988 -39.236 70.343 1.00 11.72 ? 237 CYS B CA 1 ATOM 4258 C C . CYS B 1 157 ? -34.147 -38.200 69.606 1.00 11.71 ? 237 CYS B C 1 ATOM 4259 O O . CYS B 1 157 ? -34.399 -36.998 69.701 1.00 13.76 ? 237 CYS B O 1 ATOM 4260 C CB . CYS B 1 157 ? -36.226 -39.615 69.526 1.00 12.69 ? 237 CYS B CB 1 ATOM 4261 S SG . CYS B 1 157 ? -37.252 -40.884 70.309 1.00 15.06 ? 237 CYS B SG 1 ATOM 4262 N N . TYR B 1 158 ? -33.151 -38.678 68.867 1.00 9.02 ? 238 TYR B N 1 ATOM 4263 C CA . TYR B 1 158 ? -32.143 -37.815 68.269 1.00 9.10 ? 238 TYR B CA 1 ATOM 4264 C C . TYR B 1 158 ? -32.018 -38.098 66.786 1.00 9.41 ? 238 TYR B C 1 ATOM 4265 O O . TYR B 1 158 ? -32.120 -39.247 66.362 1.00 10.92 ? 238 TYR B O 1 ATOM 4266 C CB . TYR B 1 158 ? -30.780 -38.091 68.910 1.00 10.54 ? 238 TYR B CB 1 ATOM 4267 C CG . TYR B 1 158 ? -30.743 -37.971 70.416 1.00 11.12 ? 238 TYR B CG 1 ATOM 4268 C CD1 . TYR B 1 158 ? -30.290 -36.808 71.023 1.00 13.63 ? 238 TYR B CD1 1 ATOM 4269 C CD2 . TYR B 1 158 ? -31.141 -39.025 71.233 1.00 11.62 ? 238 TYR B CD2 1 ATOM 4270 C CE1 . TYR B 1 158 ? -30.244 -36.691 72.398 1.00 13.69 ? 238 TYR B CE1 1 ATOM 4271 C CE2 . TYR B 1 158 ? -31.099 -38.916 72.611 1.00 13.93 ? 238 TYR B CE2 1 ATOM 4272 C CZ . TYR B 1 158 ? -30.649 -37.746 73.188 1.00 13.80 ? 238 TYR B CZ 1 ATOM 4273 O OH . TYR B 1 158 ? -30.601 -37.628 74.558 1.00 15.81 ? 238 TYR B OH 1 ATOM 4274 N N . TRP B 1 159 ? -31.770 -37.056 66.000 1.00 10.37 ? 239 TRP B N 1 ATOM 4275 C CA . TRP B 1 159 ? -31.466 -37.237 64.586 1.00 9.83 ? 239 TRP B CA 1 ATOM 4276 C C . TRP B 1 159 ? -30.581 -36.110 64.064 1.00 9.60 ? 239 TRP B C 1 ATOM 4277 O O . TRP B 1 159 ? -30.416 -35.078 64.719 1.00 11.00 ? 239 TRP B O 1 ATOM 4278 C CB . TRP B 1 159 ? -32.750 -37.360 63.756 1.00 10.97 ? 239 TRP B CB 1 ATOM 4279 C CG . TRP B 1 159 ? -33.584 -36.109 63.692 1.00 10.34 ? 239 TRP B CG 1 ATOM 4280 C CD1 . TRP B 1 159 ? -33.531 -35.135 62.734 1.00 9.78 ? 239 TRP B CD1 1 ATOM 4281 C CD2 . TRP B 1 159 ? -34.602 -35.705 64.617 1.00 11.07 ? 239 TRP B CD2 1 ATOM 4282 N NE1 . TRP B 1 159 ? -34.453 -34.155 63.005 1.00 11.07 ? 239 TRP B NE1 1 ATOM 4283 C CE2 . TRP B 1 159 ? -35.122 -34.477 64.157 1.00 10.89 ? 239 TRP B CE2 1 ATOM 4284 C CE3 . TRP B 1 159 ? -35.127 -36.262 65.789 1.00 13.25 ? 239 TRP B CE3 1 ATOM 4285 C CZ2 . TRP B 1 159 ? -36.136 -33.794 64.827 1.00 13.20 ? 239 TRP B CZ2 1 ATOM 4286 C CZ3 . TRP B 1 159 ? -36.137 -35.583 66.453 1.00 13.86 ? 239 TRP B CZ3 1 ATOM 4287 C CH2 . TRP B 1 159 ? -36.631 -34.363 65.969 1.00 14.29 ? 239 TRP B CH2 1 ATOM 4288 N N . VAL B 1 160 ? -30.009 -36.322 62.885 1.00 9.55 ? 240 VAL B N 1 ATOM 4289 C CA . VAL B 1 160 ? -29.102 -35.358 62.279 1.00 9.37 ? 240 VAL B CA 1 ATOM 4290 C C . VAL B 1 160 ? -29.716 -34.773 61.010 1.00 9.21 ? 240 VAL B C 1 ATOM 4291 O O . VAL B 1 160 ? -30.275 -35.505 60.191 1.00 9.70 ? 240 VAL B O 1 ATOM 4292 C CB . VAL B 1 160 ? -27.755 -36.025 61.936 1.00 10.15 ? 240 VAL B CB 1 ATOM 4293 C CG1 . VAL B 1 160 ? -26.792 -35.021 61.308 1.00 12.44 ? 240 VAL B CG1 1 ATOM 4294 C CG2 . VAL B 1 160 ? -27.144 -36.662 63.180 1.00 12.31 ? 240 VAL B CG2 1 ATOM 4295 N N . MET B 1 161 ? -29.618 -33.456 60.853 1.00 9.35 ? 241 MET B N 1 ATOM 4296 C CA . MET B 1 161 ? -30.107 -32.796 59.645 1.00 10.30 ? 241 MET B CA 1 ATOM 4297 C C . MET B 1 161 ? -29.026 -31.950 58.990 1.00 10.18 ? 241 MET B C 1 ATOM 4298 O O . MET B 1 161 ? -28.080 -31.502 59.645 1.00 10.95 ? 241 MET B O 1 ATOM 4299 C CB . MET B 1 161 ? -31.315 -31.909 59.949 1.00 10.63 ? 241 MET B CB 1 ATOM 4300 C CG . MET B 1 161 ? -32.401 -32.586 60.755 1.00 13.08 ? 241 MET B CG 1 ATOM 4301 S SD . MET B 1 161 ? -33.836 -31.510 60.954 1.00 16.49 ? 241 MET B SD 1 ATOM 4302 C CE . MET B 1 161 ? -34.759 -31.968 59.509 1.00 13.57 ? 241 MET B CE 1 ATOM 4303 N N . THR B 1 162 ? -29.192 -31.721 57.692 1.00 9.30 ? 242 THR B N 1 ATOM 4304 C CA . THR B 1 162 ? -28.279 -30.892 56.924 1.00 8.89 ? 242 THR B CA 1 ATOM 4305 C C . THR B 1 162 ? -29.082 -29.839 56.178 1.00 9.34 ? 242 THR B C 1 ATOM 4306 O O . THR B 1 162 ? -30.226 -30.080 55.792 1.00 10.34 ? 242 THR B O 1 ATOM 4307 C CB . THR B 1 162 ? -27.472 -31.747 55.928 1.00 9.98 ? 242 THR B CB 1 ATOM 4308 O OG1 . THR B 1 162 ? -26.704 -32.712 56.658 1.00 11.56 ? 242 THR B OG1 1 ATOM 4309 C CG2 . THR B 1 162 ? -26.535 -30.884 55.083 1.00 11.84 ? 242 THR B CG2 1 ATOM 4310 N N . ASP B 1 163 ? -28.484 -28.667 55.994 1.00 8.84 ? 243 ASP B N 1 ATOM 4311 C CA . ASP B 1 163 ? -29.110 -27.588 55.244 1.00 10.17 ? 243 ASP B CA 1 ATOM 4312 C C . ASP B 1 163 ? -27.970 -26.828 54.582 1.00 10.71 ? 243 ASP B C 1 ATOM 4313 O O . ASP B 1 163 ? -26.990 -26.482 55.238 1.00 11.17 ? 243 ASP B O 1 ATOM 4314 C CB . ASP B 1 163 ? -29.919 -26.689 56.188 1.00 10.46 ? 243 ASP B CB 1 ATOM 4315 C CG . ASP B 1 163 ? -30.994 -25.878 55.471 1.00 11.94 ? 243 ASP B CG 1 ATOM 4316 O OD1 . ASP B 1 163 ? -30.925 -25.718 54.234 1.00 12.64 ? 243 ASP B OD1 1 ATOM 4317 O OD2 . ASP B 1 163 ? -31.915 -25.388 56.161 1.00 13.25 ? 243 ASP B OD2 1 ATOM 4318 N N . GLY B 1 164 ? -28.081 -26.601 53.278 1.00 11.10 ? 244 GLY B N 1 ATOM 4319 C CA . GLY B 1 164 ? -27.005 -25.992 52.514 1.00 10.04 ? 244 GLY B CA 1 ATOM 4320 C C . GLY B 1 164 ? -26.621 -26.813 51.296 1.00 11.53 ? 244 GLY B C 1 ATOM 4321 O O . GLY B 1 164 ? -27.271 -27.805 50.980 1.00 12.26 ? 244 GLY B O 1 ATOM 4322 N N . PRO B 1 165 ? -25.553 -26.401 50.598 1.00 11.62 ? 245 PRO B N 1 ATOM 4323 C CA . PRO B 1 165 ? -25.146 -27.041 49.340 1.00 12.20 ? 245 PRO B CA 1 ATOM 4324 C C . PRO B 1 165 ? -24.889 -28.544 49.447 1.00 13.11 ? 245 PRO B C 1 ATOM 4325 O O . PRO B 1 165 ? -24.433 -29.030 50.484 1.00 13.64 ? 245 PRO B O 1 ATOM 4326 C CB . PRO B 1 165 ? -23.842 -26.318 48.989 1.00 15.01 ? 245 PRO B CB 1 ATOM 4327 C CG . PRO B 1 165 ? -23.977 -24.978 49.633 1.00 14.20 ? 245 PRO B CG 1 ATOM 4328 C CD . PRO B 1 165 ? -24.730 -25.220 50.912 1.00 12.62 ? 245 PRO B CD 1 ATOM 4329 N N . ALA B 1 166 ? -25.169 -29.257 48.358 1.00 14.52 ? 246 ALA B N 1 ATOM 4330 C CA . ALA B 1 166 ? -24.926 -30.691 48.272 1.00 15.14 ? 246 ALA B CA 1 ATOM 4331 C C . ALA B 1 166 ? -23.484 -31.007 47.894 1.00 14.43 ? 246 ALA B C 1 ATOM 4332 O O . ALA B 1 166 ? -23.003 -32.111 48.152 1.00 16.58 ? 246 ALA B O 1 ATOM 4333 C CB . ALA B 1 166 ? -25.871 -31.323 47.261 1.00 18.53 ? 246 ALA B CB 1 ATOM 4334 N N . ASN B 1 167 ? -22.805 -30.044 47.273 1.00 13.74 ? 247 ASN B N 1 ATOM 4335 C CA . ASN B 1 167 ? -21.464 -30.269 46.731 1.00 15.41 ? 247 ASN B CA 1 ATOM 4336 C C . ASN B 1 167 ? -20.420 -29.274 47.221 1.00 14.04 ? 247 ASN B C 1 ATOM 4337 O O . ASN B 1 167 ? -19.396 -29.081 46.571 1.00 13.66 ? 247 ASN B O 1 ATOM 4338 C CB . ASN B 1 167 ? -21.482 -30.212 45.202 1.00 18.48 ? 247 ASN B CB 1 ATOM 4339 C CG . ASN B 1 167 ? -22.283 -31.325 44.582 1.00 21.75 ? 247 ASN B CG 1 ATOM 4340 O OD1 . ASN B 1 167 ? -22.781 -31.188 43.464 1.00 22.00 ? 247 ASN B OD1 1 ATOM 4341 N ND2 . ASN B 1 167 ? -22.415 -32.438 45.297 1.00 22.32 ? 247 ASN B ND2 1 ATOM 4342 N N . SER B 1 168 ? -20.690 -28.621 48.344 1.00 13.63 ? 248 SER B N 1 ATOM 4343 C CA . SER B 1 168 ? -19.705 -27.750 48.978 1.00 12.98 ? 248 SER B CA 1 ATOM 4344 C C . SER B 1 168 ? -20.090 -27.560 50.441 1.00 13.23 ? 248 SER B C 1 ATOM 4345 O O . SER B 1 168 ? -21.024 -28.204 50.922 1.00 13.67 ? 248 SER B O 1 ATOM 4346 C CB . SER B 1 168 ? -19.575 -26.413 48.237 1.00 14.29 ? 248 SER B CB 1 ATOM 4347 O OG . SER B 1 168 ? -20.805 -25.718 48.184 1.00 15.43 ? 248 SER B OG 1 ATOM 4348 N N . GLN B 1 169 ? -19.372 -26.699 51.154 1.00 13.48 ? 249 GLN B N 1 ATOM 4349 C CA . GLN B 1 169 ? -19.624 -26.516 52.581 1.00 13.05 ? 249 GLN B CA 1 ATOM 4350 C C . GLN B 1 169 ? -21.100 -26.278 52.886 1.00 12.28 ? 249 GLN B C 1 ATOM 4351 O O . GLN B 1 169 ? -21.722 -25.376 52.331 1.00 13.45 ? 249 GLN B O 1 ATOM 4352 C CB . GLN B 1 169 ? -18.806 -25.350 53.130 1.00 12.81 ? 249 GLN B CB 1 ATOM 4353 C CG . GLN B 1 169 ? -18.922 -25.193 54.638 1.00 12.34 ? 249 GLN B CG 1 ATOM 4354 C CD . GLN B 1 169 ? -18.162 -26.264 55.388 1.00 12.74 ? 249 GLN B CD 1 ATOM 4355 O OE1 . GLN B 1 169 ? -16.947 -26.386 55.242 1.00 14.09 ? 249 GLN B OE1 1 ATOM 4356 N NE2 . GLN B 1 169 ? -18.873 -27.049 56.197 1.00 13.76 ? 249 GLN B NE2 1 ATOM 4357 N N . ALA B 1 170 ? -21.654 -27.090 53.780 1.00 10.62 ? 250 ALA B N 1 ATOM 4358 C CA . ALA B 1 170 ? -23.022 -26.891 54.236 1.00 11.14 ? 250 ALA B CA 1 ATOM 4359 C C . ALA B 1 170 ? -23.053 -26.776 55.757 1.00 11.77 ? 250 ALA B C 1 ATOM 4360 O O . ALA B 1 170 ? -22.010 -26.629 56.394 1.00 12.06 ? 250 ALA B O 1 ATOM 4361 C CB . ALA B 1 170 ? -23.923 -28.022 53.754 1.00 11.56 ? 250 ALA B CB 1 ATOM 4362 N N . SER B 1 171 ? -24.253 -26.837 56.327 1.00 12.12 ? 251 SER B N 1 ATOM 4363 C CA . SER B 1 171 ? -24.449 -26.726 57.768 1.00 11.99 ? 251 SER B CA 1 ATOM 4364 C C . SER B 1 171 ? -25.101 -28.000 58.303 1.00 11.18 ? 251 SER B C 1 ATOM 4365 O O . SER B 1 171 ? -26.012 -28.548 57.676 1.00 11.22 ? 251 SER B O 1 ATOM 4366 C CB . SER B 1 171 ? -25.321 -25.507 58.080 1.00 12.47 ? 251 SER B CB 1 ATOM 4367 O OG . SER B 1 171 ? -25.571 -25.385 59.468 1.00 15.02 ? 251 SER B OG 1 ATOM 4368 N N . TYR B 1 172 ? -24.626 -28.473 59.453 1.00 10.79 ? 252 TYR B N 1 ATOM 4369 C CA . TYR B 1 172 ? -25.046 -29.765 59.995 1.00 11.46 ? 252 TYR B CA 1 ATOM 4370 C C . TYR B 1 172 ? -25.486 -29.597 61.442 1.00 11.55 ? 252 TYR B C 1 ATOM 4371 O O . TYR B 1 172 ? -24.787 -28.969 62.238 1.00 12.92 ? 252 TYR B O 1 ATOM 4372 C CB . TYR B 1 172 ? -23.893 -30.776 59.884 1.00 11.88 ? 252 TYR B CB 1 ATOM 4373 C CG . TYR B 1 172 ? -23.046 -30.504 58.664 1.00 11.42 ? 252 TYR B CG 1 ATOM 4374 C CD1 . TYR B 1 172 ? -23.542 -30.746 57.389 1.00 11.19 ? 252 TYR B CD1 1 ATOM 4375 C CD2 . TYR B 1 172 ? -21.771 -29.965 58.781 1.00 11.94 ? 252 TYR B CD2 1 ATOM 4376 C CE1 . TYR B 1 172 ? -22.792 -30.470 56.266 1.00 10.88 ? 252 TYR B CE1 1 ATOM 4377 C CE2 . TYR B 1 172 ? -21.008 -29.686 57.658 1.00 11.22 ? 252 TYR B CE2 1 ATOM 4378 C CZ . TYR B 1 172 ? -21.527 -29.943 56.401 1.00 11.54 ? 252 TYR B CZ 1 ATOM 4379 O OH . TYR B 1 172 ? -20.792 -29.667 55.270 1.00 11.83 ? 252 TYR B OH 1 ATOM 4380 N N . LYS B 1 173 ? -26.650 -30.146 61.779 1.00 10.96 ? 253 LYS B N 1 ATOM 4381 C CA . LYS B 1 173 ? -27.198 -30.000 63.127 1.00 10.95 ? 253 LYS B CA 1 ATOM 4382 C C . LYS B 1 173 ? -27.693 -31.313 63.707 1.00 10.57 ? 253 LYS B C 1 ATOM 4383 O O . LYS B 1 173 ? -28.246 -32.151 62.991 1.00 10.82 ? 253 LYS B O 1 ATOM 4384 C CB . LYS B 1 173 ? -28.353 -28.991 63.142 1.00 12.86 ? 253 LYS B CB 1 ATOM 4385 C CG . LYS B 1 173 ? -27.932 -27.534 63.020 1.00 13.44 ? 253 LYS B CG 1 ATOM 4386 C CD . LYS B 1 173 ? -29.121 -26.604 63.256 1.00 15.01 ? 253 LYS B CD 1 ATOM 4387 C CE . LYS B 1 173 ? -28.720 -25.144 63.106 1.00 16.97 ? 253 LYS B CE 1 ATOM 4388 N NZ . LYS B 1 173 ? -29.866 -24.226 63.354 1.00 18.48 ? 253 LYS B NZ 1 ATOM 4389 N N . ILE B 1 174 ? -27.503 -31.473 65.014 1.00 10.56 ? 254 ILE B N 1 ATOM 4390 C CA . ILE B 1 174 ? -28.090 -32.574 65.763 1.00 10.76 ? 254 ILE B CA 1 ATOM 4391 C C . ILE B 1 174 ? -29.332 -32.056 66.468 1.00 10.93 ? 254 ILE B C 1 ATOM 4392 O O . ILE B 1 174 ? -29.322 -30.949 67.013 1.00 10.39 ? 254 ILE B O 1 ATOM 4393 C CB . ILE B 1 174 ? -27.124 -33.104 66.838 1.00 11.59 ? 254 ILE B CB 1 ATOM 4394 C CG1 . ILE B 1 174 ? -25.790 -33.521 66.215 1.00 13.53 ? 254 ILE B CG1 1 ATOM 4395 C CG2 . ILE B 1 174 ? -27.749 -34.263 67.604 1.00 13.64 ? 254 ILE B CG2 1 ATOM 4396 C CD1 . ILE B 1 174 ? -24.646 -33.561 67.223 1.00 15.54 ? 254 ILE B CD1 1 ATOM 4397 N N . PHE B 1 175 ? -30.396 -32.853 66.455 1.00 11.18 ? 255 PHE B N 1 ATOM 4398 C CA . PHE B 1 175 ? -31.641 -32.494 67.118 1.00 10.98 ? 255 PHE B CA 1 ATOM 4399 C C . PHE B 1 175 ? -32.007 -33.498 68.200 1.00 11.06 ? 255 PHE B C 1 ATOM 4400 O O . PHE B 1 175 ? -31.756 -34.695 68.062 1.00 12.34 ? 255 PHE B O 1 ATOM 4401 C CB . PHE B 1 175 ? -32.777 -32.381 66.099 1.00 12.47 ? 255 PHE B CB 1 ATOM 4402 C CG . PHE B 1 175 ? -32.663 -31.178 65.208 1.00 11.50 ? 255 PHE B CG 1 ATOM 4403 C CD1 . PHE B 1 175 ? -33.344 -30.012 65.512 1.00 14.17 ? 255 PHE B CD1 1 ATOM 4404 C CD2 . PHE B 1 175 ? -31.849 -31.201 64.088 1.00 11.88 ? 255 PHE B CD2 1 ATOM 4405 C CE1 . PHE B 1 175 ? -33.232 -28.894 64.705 1.00 15.15 ? 255 PHE B CE1 1 ATOM 4406 C CE2 . PHE B 1 175 ? -31.735 -30.085 63.276 1.00 13.65 ? 255 PHE B CE2 1 ATOM 4407 C CZ . PHE B 1 175 ? -32.427 -28.930 63.586 1.00 15.51 ? 255 PHE B CZ 1 ATOM 4408 N N . LYS B 1 176 ? -32.605 -32.991 69.272 1.00 11.07 ? 256 LYS B N 1 ATOM 4409 C CA . LYS B 1 176 ? -33.105 -33.817 70.363 1.00 12.13 ? 256 LYS B CA 1 ATOM 4410 C C . LYS B 1 176 ? -34.591 -33.547 70.526 1.00 12.17 ? 256 LYS B C 1 ATOM 4411 O O . LYS B 1 176 ? -35.035 -32.403 70.406 1.00 13.34 ? 256 LYS B O 1 ATOM 4412 C CB . LYS B 1 176 ? -32.371 -33.474 71.663 1.00 11.74 ? 256 LYS B CB 1 ATOM 4413 C CG . LYS B 1 176 ? -32.789 -34.307 72.863 1.00 12.99 ? 256 LYS B CG 1 ATOM 4414 C CD . LYS B 1 176 ? -32.015 -33.894 74.106 1.00 13.83 ? 256 LYS B CD 1 ATOM 4415 C CE . LYS B 1 176 ? -32.264 -34.853 75.253 1.00 15.87 ? 256 LYS B CE 1 ATOM 4416 N NZ . LYS B 1 176 ? -31.494 -34.451 76.458 1.00 20.02 ? 256 LYS B NZ 1 ATOM 4417 N N . SER B 1 177 ? -35.359 -34.596 70.801 1.00 11.01 ? 257 SER B N 1 ATOM 4418 C CA . SER B 1 177 ? -36.797 -34.456 70.988 1.00 10.51 ? 257 SER B CA 1 ATOM 4419 C C . SER B 1 177 ? -37.279 -35.311 72.150 1.00 11.29 ? 257 SER B C 1 ATOM 4420 O O . SER B 1 177 ? -36.643 -36.297 72.514 1.00 12.94 ? 257 SER B O 1 ATOM 4421 C CB . SER B 1 177 ? -37.549 -34.860 69.720 1.00 10.79 ? 257 SER B CB 1 ATOM 4422 O OG . SER B 1 177 ? -37.365 -36.239 69.447 1.00 12.82 ? 257 SER B OG 1 ATOM 4423 N N . HIS B 1 178 ? -38.406 -34.918 72.729 1.00 10.86 ? 258 HIS B N 1 ATOM 4424 C CA . HIS B 1 178 ? -39.077 -35.720 73.745 1.00 11.40 ? 258 HIS B CA 1 ATOM 4425 C C . HIS B 1 178 ? -40.574 -35.662 73.481 1.00 13.50 ? 258 HIS B C 1 ATOM 4426 O O . HIS B 1 178 ? -41.158 -34.578 73.417 1.00 13.84 ? 258 HIS B O 1 ATOM 4427 C CB . HIS B 1 178 ? -38.753 -35.211 75.153 1.00 12.60 ? 258 HIS B CB 1 ATOM 4428 C CG . HIS B 1 178 ? -39.461 -35.955 76.245 1.00 15.32 ? 258 HIS B CG 1 ATOM 4429 N ND1 . HIS B 1 178 ? -39.228 -37.288 76.511 1.00 16.76 ? 258 HIS B ND1 1 ATOM 4430 C CD2 . HIS B 1 178 ? -40.381 -35.546 77.151 1.00 16.58 ? 258 HIS B CD2 1 ATOM 4431 C CE1 . HIS B 1 178 ? -39.983 -37.671 77.525 1.00 17.24 ? 258 HIS B CE1 1 ATOM 4432 N NE2 . HIS B 1 178 ? -40.691 -36.632 77.934 1.00 18.18 ? 258 HIS B NE2 1 ATOM 4433 N N . GLU B 1 179 ? -41.183 -36.831 73.313 1.00 13.79 ? 259 GLU B N 1 ATOM 4434 C CA . GLU B 1 179 ? -42.598 -36.931 72.969 1.00 14.93 ? 259 GLU B CA 1 ATOM 4435 C C . GLU B 1 179 ? -42.974 -36.029 71.792 1.00 13.81 ? 259 GLU B C 1 ATOM 4436 O O . GLU B 1 179 ? -44.012 -35.364 71.803 1.00 14.84 ? 259 GLU B O 1 ATOM 4437 C CB . GLU B 1 179 ? -43.473 -36.659 74.194 1.00 18.03 ? 259 GLU B CB 1 ATOM 4438 C CG . GLU B 1 179 ? -43.241 -37.673 75.304 1.00 20.46 ? 259 GLU B CG 1 ATOM 4439 C CD . GLU B 1 179 ? -44.201 -37.519 76.461 1.00 24.93 ? 259 GLU B CD 1 ATOM 4440 O OE1 . GLU B 1 179 ? -44.309 -36.400 77.004 1.00 25.58 ? 259 GLU B OE1 1 ATOM 4441 O OE2 . GLU B 1 179 ? -44.842 -38.525 76.830 1.00 27.86 ? 259 GLU B OE2 1 ATOM 4442 N N . GLY B 1 180 ? -42.115 -36.010 70.779 1.00 12.18 ? 260 GLY B N 1 ATOM 4443 C CA . GLY B 1 180 ? -42.406 -35.303 69.544 1.00 12.71 ? 260 GLY B CA 1 ATOM 4444 C C . GLY B 1 180 ? -42.136 -33.810 69.557 1.00 12.24 ? 260 GLY B C 1 ATOM 4445 O O . GLY B 1 180 ? -42.371 -33.126 68.558 1.00 12.64 ? 260 GLY B O 1 ATOM 4446 N N . MET B 1 181 ? -41.647 -33.295 70.680 1.00 13.11 ? 261 MET B N 1 ATOM 4447 C CA . MET B 1 181 ? -41.291 -31.884 70.767 1.00 13.08 ? 261 MET B CA 1 ATOM 4448 C C . MET B 1 181 ? -39.783 -31.737 70.649 1.00 12.96 ? 261 MET B C 1 ATOM 4449 O O . MET B 1 181 ? -39.036 -32.431 71.339 1.00 13.04 ? 261 MET B O 1 ATOM 4450 C CB . MET B 1 181 ? -41.759 -31.277 72.093 1.00 15.43 ? 261 MET B CB 1 ATOM 4451 C CG . MET B 1 181 ? -43.210 -31.561 72.442 1.00 16.74 ? 261 MET B CG 1 ATOM 4452 S SD . MET B 1 181 ? -44.355 -31.030 71.158 1.00 19.84 ? 261 MET B SD 1 ATOM 4453 C CE . MET B 1 181 ? -43.952 -29.289 71.047 1.00 20.25 ? 261 MET B CE 1 ATOM 4454 N N . VAL B 1 182 ? -39.331 -30.841 69.779 1.00 12.30 ? 262 VAL B N 1 ATOM 4455 C CA . VAL B 1 182 ? -37.906 -30.545 69.700 1.00 13.78 ? 262 VAL B CA 1 ATOM 4456 C C . VAL B 1 182 ? -37.475 -29.807 70.963 1.00 14.81 ? 262 VAL B C 1 ATOM 4457 O O . VAL B 1 182 ? -38.026 -28.755 71.300 1.00 15.68 ? 262 VAL B O 1 ATOM 4458 C CB . VAL B 1 182 ? -37.556 -29.694 68.472 1.00 15.91 ? 262 VAL B CB 1 ATOM 4459 C CG1 . VAL B 1 182 ? -36.079 -29.341 68.483 1.00 17.58 ? 262 VAL B CG1 1 ATOM 4460 C CG2 . VAL B 1 182 ? -37.917 -30.433 67.201 1.00 16.04 ? 262 VAL B CG2 1 ATOM 4461 N N . THR B 1 183 ? -36.493 -30.363 71.663 1.00 14.08 ? 263 THR B N 1 ATOM 4462 C CA . THR B 1 183 ? -36.098 -29.830 72.962 1.00 14.01 ? 263 THR B CA 1 ATOM 4463 C C . THR B 1 183 ? -34.665 -29.310 73.004 1.00 13.52 ? 263 THR B C 1 ATOM 4464 O O . THR B 1 183 ? -34.258 -28.684 73.982 1.00 15.93 ? 263 THR B O 1 ATOM 4465 C CB . THR B 1 183 ? -36.280 -30.879 74.061 1.00 15.17 ? 263 THR B CB 1 ATOM 4466 O OG1 . THR B 1 183 ? -35.537 -32.054 73.717 1.00 16.73 ? 263 THR B OG1 1 ATOM 4467 C CG2 . THR B 1 183 ? -37.756 -31.243 74.206 1.00 15.31 ? 263 THR B CG2 1 ATOM 4468 N N . ASN B 1 184 ? -33.899 -29.572 71.951 1.00 14.10 ? 264 ASN B N 1 ATOM 4469 C CA . ASN B 1 184 ? -32.536 -29.055 71.870 1.00 13.34 ? 264 ASN B CA 1 ATOM 4470 C C . ASN B 1 184 ? -31.973 -29.249 70.471 1.00 12.89 ? 264 ASN B C 1 ATOM 4471 O O . ASN B 1 184 ? -32.441 -30.099 69.715 1.00 12.82 ? 264 ASN B O 1 ATOM 4472 C CB . ASN B 1 184 ? -31.634 -29.738 72.908 1.00 14.17 ? 264 ASN B CB 1 ATOM 4473 C CG . ASN B 1 184 ? -30.388 -28.922 73.236 1.00 14.65 ? 264 ASN B CG 1 ATOM 4474 O OD1 . ASN B 1 184 ? -30.271 -27.755 72.855 1.00 14.92 ? 264 ASN B OD1 1 ATOM 4475 N ND2 . ASN B 1 184 ? -29.455 -29.536 73.955 1.00 16.53 ? 264 ASN B ND2 1 ATOM 4476 N N . GLU B 1 185 ? -30.980 -28.441 70.125 1.00 12.54 ? 265 GLU B N 1 ATOM 4477 C CA . GLU B 1 185 ? -30.274 -28.595 68.863 1.00 13.76 ? 265 GLU B CA 1 ATOM 4478 C C . GLU B 1 185 ? -28.836 -28.149 69.059 1.00 13.44 ? 265 GLU B C 1 ATOM 4479 O O . GLU B 1 185 ? -28.541 -27.347 69.945 1.00 14.40 ? 265 GLU B O 1 ATOM 4480 C CB . GLU B 1 185 ? -30.932 -27.768 67.753 1.00 15.12 ? 265 GLU B CB 1 ATOM 4481 C CG . GLU B 1 185 ? -30.732 -26.264 67.894 1.00 18.79 ? 265 GLU B CG 1 ATOM 4482 C CD . GLU B 1 185 ? -31.066 -25.503 66.622 1.00 21.41 ? 265 GLU B CD 1 ATOM 4483 O OE1 . GLU B 1 185 ? -32.192 -25.659 66.109 1.00 22.94 ? 265 GLU B OE1 1 ATOM 4484 O OE2 . GLU B 1 185 ? -30.202 -24.738 66.139 1.00 22.92 ? 265 GLU B OE2 1 ATOM 4485 N N . ARG B 1 186 ? -27.939 -28.677 68.237 1.00 12.43 ? 266 ARG B N 1 ATOM 4486 C CA . ARG B 1 186 ? -26.543 -28.271 68.282 1.00 12.76 ? 266 ARG B CA 1 ATOM 4487 C C . ARG B 1 186 ? -25.983 -28.265 66.875 1.00 12.59 ? 266 ARG B C 1 ATOM 4488 O O . ARG B 1 186 ? -26.086 -29.263 66.161 1.00 13.27 ? 266 ARG B O 1 ATOM 4489 C CB . ARG B 1 186 ? -25.724 -29.236 69.145 1.00 14.16 ? 266 ARG B CB 1 ATOM 4490 C CG . ARG B 1 186 ? -24.230 -28.935 69.153 1.00 16.11 ? 266 ARG B CG 1 ATOM 4491 C CD . ARG B 1 186 ? -23.904 -27.811 70.119 1.00 17.81 ? 266 ARG B CD 1 ATOM 4492 N NE . ARG B 1 186 ? -24.306 -28.179 71.470 1.00 19.37 ? 266 ARG B NE 1 ATOM 4493 C CZ . ARG B 1 186 ? -23.499 -28.726 72.373 1.00 20.88 ? 266 ARG B CZ 1 ATOM 4494 N NH1 . ARG B 1 186 ? -22.221 -28.952 72.086 1.00 20.87 ? 266 ARG B NH1 1 ATOM 4495 N NH2 . ARG B 1 186 ? -23.970 -29.043 73.571 1.00 21.73 ? 266 ARG B NH2 1 ATOM 4496 N N . GLU B 1 187 ? -25.394 -27.148 66.464 1.00 11.91 ? 267 GLU B N 1 ATOM 4497 C CA . GLU B 1 187 ? -24.708 -27.137 65.183 1.00 12.21 ? 267 GLU B CA 1 ATOM 4498 C C . GLU B 1 187 ? -23.337 -27.790 65.310 1.00 12.97 ? 267 GLU B C 1 ATOM 4499 O O . GLU B 1 187 ? -22.589 -27.524 66.253 1.00 14.18 ? 267 GLU B O 1 ATOM 4500 C CB . GLU B 1 187 ? -24.576 -25.730 64.601 1.00 15.71 ? 267 GLU B CB 1 ATOM 4501 C CG . GLU B 1 187 ? -23.862 -25.743 63.255 1.00 17.05 ? 267 GLU B CG 1 ATOM 4502 C CD . GLU B 1 187 ? -24.149 -24.527 62.404 1.00 20.18 ? 267 GLU B CD 1 ATOM 4503 O OE1 . GLU B 1 187 ? -24.801 -23.583 62.898 1.00 22.91 ? 267 GLU B OE1 1 ATOM 4504 O OE2 . GLU B 1 187 ? -23.721 -24.523 61.233 1.00 20.62 ? 267 GLU B OE2 1 ATOM 4505 N N . VAL B 1 188 ? -23.027 -28.652 64.350 1.00 12.60 ? 268 VAL B N 1 ATOM 4506 C CA . VAL B 1 188 ? -21.763 -29.363 64.319 1.00 12.74 ? 268 VAL B CA 1 ATOM 4507 C C . VAL B 1 188 ? -20.770 -28.596 63.455 1.00 14.52 ? 268 VAL B C 1 ATOM 4508 O O . VAL B 1 188 ? -20.989 -28.414 62.256 1.00 16.24 ? 268 VAL B O 1 ATOM 4509 C CB . VAL B 1 188 ? -21.953 -30.786 63.759 1.00 13.77 ? 268 VAL B CB 1 ATOM 4510 C CG1 . VAL B 1 188 ? -20.615 -31.494 63.607 1.00 13.95 ? 268 VAL B CG1 1 ATOM 4511 C CG2 . VAL B 1 188 ? -22.896 -31.587 64.649 1.00 14.75 ? 268 VAL B CG2 1 ATOM 4512 N N . SER B 1 189 ? -19.688 -28.129 64.070 1.00 14.51 ? 269 SER B N 1 ATOM 4513 C CA . SER B 1 189 ? -18.642 -27.423 63.339 1.00 14.65 ? 269 SER B CA 1 ATOM 4514 C C . SER B 1 189 ? -17.754 -28.416 62.598 1.00 13.80 ? 269 SER B C 1 ATOM 4515 O O . SER B 1 189 ? -17.108 -29.265 63.214 1.00 15.96 ? 269 SER B O 1 ATOM 4516 C CB . SER B 1 189 ? -17.802 -26.575 64.290 1.00 17.15 ? 269 SER B CB 1 ATOM 4517 O OG . SER B 1 189 ? -16.802 -25.872 63.577 1.00 20.34 ? 269 SER B OG 1 ATOM 4518 N N . PHE B 1 190 ? -17.713 -28.295 61.276 1.00 13.65 ? 270 PHE B N 1 ATOM 4519 C CA . PHE B 1 190 ? -17.060 -29.290 60.436 1.00 12.97 ? 270 PHE B CA 1 ATOM 4520 C C . PHE B 1 190 ? -16.562 -28.622 59.158 1.00 14.87 ? 270 PHE B C 1 ATOM 4521 O O . PHE B 1 190 ? -16.995 -28.955 58.055 1.00 14.30 ? 270 PHE B O 1 ATOM 4522 C CB . PHE B 1 190 ? -18.064 -30.403 60.117 1.00 13.31 ? 270 PHE B CB 1 ATOM 4523 C CG . PHE B 1 190 ? -17.441 -31.704 59.680 1.00 14.23 ? 270 PHE B CG 1 ATOM 4524 C CD1 . PHE B 1 190 ? -16.167 -32.065 60.087 1.00 14.58 ? 270 PHE B CD1 1 ATOM 4525 C CD2 . PHE B 1 190 ? -18.159 -32.586 58.890 1.00 13.41 ? 270 PHE B CD2 1 ATOM 4526 C CE1 . PHE B 1 190 ? -15.615 -33.276 59.695 1.00 14.43 ? 270 PHE B CE1 1 ATOM 4527 C CE2 . PHE B 1 190 ? -17.615 -33.796 58.490 1.00 13.91 ? 270 PHE B CE2 1 ATOM 4528 C CZ . PHE B 1 190 ? -16.342 -34.143 58.894 1.00 14.00 ? 270 PHE B CZ 1 ATOM 4529 N N . GLN B 1 191 ? -15.654 -27.663 59.317 1.00 15.87 ? 271 GLN B N 1 ATOM 4530 C CA . GLN B 1 191 ? -15.120 -26.920 58.180 1.00 16.17 ? 271 GLN B CA 1 ATOM 4531 C C . GLN B 1 191 ? -14.312 -27.829 57.266 1.00 15.06 ? 271 GLN B C 1 ATOM 4532 O O . GLN B 1 191 ? -13.377 -28.496 57.709 1.00 17.86 ? 271 GLN B O 1 ATOM 4533 C CB . GLN B 1 191 ? -14.254 -25.754 58.661 1.00 20.16 ? 271 GLN B CB 1 ATOM 4534 C CG . GLN B 1 191 ? -15.043 -24.637 59.318 1.00 26.75 ? 271 GLN B CG 1 ATOM 4535 C CD . GLN B 1 191 ? -15.962 -23.924 58.342 1.00 32.41 ? 271 GLN B CD 1 ATOM 4536 O OE1 . GLN B 1 191 ? -17.183 -24.086 58.388 1.00 35.57 ? 271 GLN B OE1 1 ATOM 4537 N NE2 . GLN B 1 191 ? -15.376 -23.135 57.449 1.00 33.67 ? 271 GLN B NE2 1 ATOM 4538 N N . GLY B 1 192 ? -14.683 -27.857 55.990 1.00 13.17 ? 272 GLY B N 1 ATOM 4539 C CA . GLY B 1 192 ? -14.020 -28.707 55.019 1.00 13.66 ? 272 GLY B CA 1 ATOM 4540 C C . GLY B 1 192 ? -14.641 -30.089 54.957 1.00 13.94 ? 272 GLY B C 1 ATOM 4541 O O . GLY B 1 192 ? -14.298 -30.894 54.089 1.00 15.47 ? 272 GLY B O 1 ATOM 4542 N N . GLY B 1 193 ? -15.550 -30.364 55.888 1.00 13.81 ? 273 GLY B N 1 ATOM 4543 C CA . GLY B 1 193 ? -16.254 -31.632 55.923 1.00 13.39 ? 273 GLY B CA 1 ATOM 4544 C C . GLY B 1 193 ? -17.673 -31.502 55.404 1.00 11.94 ? 273 GLY B C 1 ATOM 4545 O O . GLY B 1 193 ? -18.201 -30.394 55.285 1.00 13.42 ? 273 GLY B O 1 ATOM 4546 N N . HIS B 1 194 ? -18.295 -32.636 55.099 1.00 11.43 ? 274 HIS B N 1 ATOM 4547 C CA . HIS B 1 194 ? -19.647 -32.645 54.563 1.00 11.02 ? 274 HIS B CA 1 ATOM 4548 C C . HIS B 1 194 ? -20.401 -33.844 55.117 1.00 10.99 ? 274 HIS B C 1 ATOM 4549 O O . HIS B 1 194 ? -19.891 -34.966 55.091 1.00 11.62 ? 274 HIS B O 1 ATOM 4550 C CB . HIS B 1 194 ? -19.606 -32.703 53.035 1.00 11.30 ? 274 HIS B CB 1 ATOM 4551 C CG . HIS B 1 194 ? -20.890 -32.298 52.379 1.00 11.21 ? 274 HIS B CG 1 ATOM 4552 N ND1 . HIS B 1 194 ? -21.768 -33.210 51.832 1.00 12.15 ? 274 HIS B ND1 1 ATOM 4553 C CD2 . HIS B 1 194 ? -21.437 -31.077 52.170 1.00 11.32 ? 274 HIS B CD2 1 ATOM 4554 C CE1 . HIS B 1 194 ? -22.803 -32.567 51.319 1.00 13.29 ? 274 HIS B CE1 1 ATOM 4555 N NE2 . HIS B 1 194 ? -22.627 -31.272 51.511 1.00 12.48 ? 274 HIS B NE2 1 ATOM 4556 N N . ILE B 1 195 ? -21.608 -33.601 55.626 1.00 9.91 ? 275 ILE B N 1 ATOM 4557 C CA . ILE B 1 195 ? -22.415 -34.649 56.245 1.00 10.97 ? 275 ILE B CA 1 ATOM 4558 C C . ILE B 1 195 ? -23.800 -34.725 55.614 1.00 10.67 ? 275 ILE B C 1 ATOM 4559 O O . ILE B 1 195 ? -24.522 -33.724 55.558 1.00 11.49 ? 275 ILE B O 1 ATOM 4560 C CB . ILE B 1 195 ? -22.579 -34.411 57.760 1.00 12.57 ? 275 ILE B CB 1 ATOM 4561 C CG1 . ILE B 1 195 ? -21.248 -34.633 58.480 1.00 13.75 ? 275 ILE B CG1 1 ATOM 4562 C CG2 . ILE B 1 195 ? -23.655 -35.324 58.335 1.00 12.50 ? 275 ILE B CG2 1 ATOM 4563 C CD1 . ILE B 1 195 ? -21.237 -34.158 59.920 1.00 14.47 ? 275 ILE B CD1 1 ATOM 4564 N N . GLU B 1 196 ? -24.150 -35.919 55.142 1.00 10.82 ? 276 GLU B N 1 ATOM 4565 C CA . GLU B 1 196 ? -25.458 -36.217 54.569 1.00 10.37 ? 276 GLU B CA 1 ATOM 4566 C C . GLU B 1 196 ? -25.884 -37.608 55.008 1.00 9.60 ? 276 GLU B C 1 ATOM 4567 O O . GLU B 1 196 ? -25.039 -38.469 55.252 1.00 10.65 ? 276 GLU B O 1 ATOM 4568 C CB . GLU B 1 196 ? -25.382 -36.230 53.041 1.00 12.54 ? 276 GLU B CB 1 ATOM 4569 C CG . GLU B 1 196 ? -24.894 -34.951 52.414 1.00 17.28 ? 276 GLU B CG 1 ATOM 4570 C CD . GLU B 1 196 ? -26.034 -34.090 51.929 1.00 20.27 ? 276 GLU B CD 1 ATOM 4571 O OE1 . GLU B 1 196 ? -27.109 -34.126 52.562 1.00 23.52 ? 276 GLU B OE1 1 ATOM 4572 O OE2 . GLU B 1 196 ? -25.857 -33.384 50.917 1.00 17.69 ? 276 GLU B OE2 1 ATOM 4573 N N . GLU B 1 197 ? -27.191 -37.826 55.101 1.00 9.56 ? 277 GLU B N 1 ATOM 4574 C CA . GLU B 1 197 ? -27.741 -39.178 55.184 1.00 8.54 ? 277 GLU B CA 1 ATOM 4575 C C . GLU B 1 197 ? -27.062 -40.058 56.230 1.00 9.43 ? 277 GLU B C 1 ATOM 4576 O O . GLU B 1 197 ? -26.631 -41.171 55.931 1.00 10.75 ? 277 GLU B O 1 ATOM 4577 C CB . GLU B 1 197 ? -27.675 -39.836 53.800 1.00 10.01 ? 277 GLU B CB 1 ATOM 4578 C CG . GLU B 1 197 ? -28.548 -39.119 52.787 1.00 11.41 ? 277 GLU B CG 1 ATOM 4579 C CD . GLU B 1 197 ? -28.387 -39.623 51.370 1.00 11.99 ? 277 GLU B CD 1 ATOM 4580 O OE1 . GLU B 1 197 ? -27.415 -40.352 51.085 1.00 12.19 ? 277 GLU B OE1 1 ATOM 4581 O OE2 . GLU B 1 197 ? -29.243 -39.269 50.532 1.00 13.69 ? 277 GLU B OE2 1 ATOM 4582 N N . CYS B 1 198 ? -26.994 -39.570 57.463 1.00 8.90 ? 278 CYS B N 1 ATOM 4583 C CA . CYS B 1 198 ? -26.316 -40.307 58.524 1.00 8.97 ? 278 CYS B CA 1 ATOM 4584 C C . CYS B 1 198 ? -27.022 -41.602 58.892 1.00 10.23 ? 278 CYS B C 1 ATOM 4585 O O . CYS B 1 198 ? -28.245 -41.646 59.007 1.00 11.41 ? 278 CYS B O 1 ATOM 4586 C CB . CYS B 1 198 ? -26.163 -39.440 59.773 1.00 12.18 ? 278 CYS B CB 1 ATOM 4587 S SG . CYS B 1 198 ? -24.926 -38.142 59.597 1.00 15.58 ? 278 CYS B SG 1 ATOM 4588 N N . SER B 1 199 ? -26.232 -42.653 59.071 1.00 10.25 ? 279 SER B N 1 ATOM 4589 C CA . SER B 1 199 ? -26.718 -43.903 59.633 1.00 9.86 ? 279 SER B CA 1 ATOM 4590 C C . SER B 1 199 ? -26.267 -43.954 61.085 1.00 10.33 ? 279 SER B C 1 ATOM 4591 O O . SER B 1 199 ? -25.071 -44.052 61.365 1.00 10.54 ? 279 SER B O 1 ATOM 4592 C CB . SER B 1 199 ? -26.149 -45.088 58.857 1.00 10.02 ? 279 SER B CB 1 ATOM 4593 O OG . SER B 1 199 ? -26.694 -45.144 57.553 1.00 12.18 ? 279 SER B OG 1 ATOM 4594 N N . CYS B 1 200 ? -27.220 -43.871 62.008 1.00 10.40 ? 280 CYS B N 1 ATOM 4595 C CA . CYS B 1 200 ? -26.893 -43.725 63.423 1.00 9.77 ? 280 CYS B CA 1 ATOM 4596 C C . CYS B 1 200 ? -27.435 -44.881 64.245 1.00 9.47 ? 280 CYS B C 1 ATOM 4597 O O . CYS B 1 200 ? -28.428 -45.506 63.874 1.00 11.41 ? 280 CYS B O 1 ATOM 4598 C CB . CYS B 1 200 ? -27.462 -42.415 63.973 1.00 12.23 ? 280 CYS B CB 1 ATOM 4599 S SG . CYS B 1 200 ? -26.944 -40.923 63.091 1.00 12.70 ? 280 CYS B SG 1 ATOM 4600 N N . TYR B 1 201 ? -26.787 -45.147 65.373 1.00 9.69 ? 281 TYR B N 1 ATOM 4601 C CA . TYR B 1 201 ? -27.214 -46.215 66.267 1.00 9.41 ? 281 TYR B CA 1 ATOM 4602 C C . TYR B 1 201 ? -26.760 -45.899 67.685 1.00 11.30 ? 281 TYR B C 1 ATOM 4603 O O . TYR B 1 201 ? -25.788 -45.173 67.884 1.00 11.42 ? 281 TYR B O 1 ATOM 4604 C CB . TYR B 1 201 ? -26.625 -47.558 65.815 1.00 11.11 ? 281 TYR B CB 1 ATOM 4605 C CG . TYR B 1 201 ? -25.118 -47.538 65.783 1.00 11.00 ? 281 TYR B CG 1 ATOM 4606 C CD1 . TYR B 1 201 ? -24.434 -47.142 64.639 1.00 9.94 ? 281 TYR B CD1 1 ATOM 4607 C CD2 . TYR B 1 201 ? -24.376 -47.882 66.907 1.00 12.52 ? 281 TYR B CD2 1 ATOM 4608 C CE1 . TYR B 1 201 ? -23.051 -47.102 64.614 1.00 10.88 ? 281 TYR B CE1 1 ATOM 4609 C CE2 . TYR B 1 201 ? -22.999 -47.844 66.892 1.00 11.90 ? 281 TYR B CE2 1 ATOM 4610 C CZ . TYR B 1 201 ? -22.340 -47.454 65.744 1.00 11.39 ? 281 TYR B CZ 1 ATOM 4611 O OH . TYR B 1 201 ? -20.964 -47.407 65.732 1.00 13.33 ? 281 TYR B OH 1 ATOM 4612 N N . PRO B 1 202 ? -27.471 -46.439 68.678 1.00 10.46 ? 282 PRO B N 1 ATOM 4613 C CA . PRO B 1 202 ? -27.054 -46.264 70.073 1.00 11.25 ? 282 PRO B CA 1 ATOM 4614 C C . PRO B 1 202 ? -25.918 -47.211 70.440 1.00 11.13 ? 282 PRO B C 1 ATOM 4615 O O . PRO B 1 202 ? -25.891 -48.354 69.988 1.00 12.36 ? 282 PRO B O 1 ATOM 4616 C CB . PRO B 1 202 ? -28.311 -46.625 70.865 1.00 12.12 ? 282 PRO B CB 1 ATOM 4617 C CG . PRO B 1 202 ? -29.102 -47.518 69.963 1.00 13.26 ? 282 PRO B CG 1 ATOM 4618 C CD . PRO B 1 202 ? -28.713 -47.222 68.543 1.00 12.23 ? 282 PRO B CD 1 ATOM 4619 N N . ASN B 1 203 ? -24.987 -46.727 71.254 1.00 10.64 ? 283 ASN B N 1 ATOM 4620 C CA . ASN B 1 203 ? -23.899 -47.550 71.749 1.00 11.49 ? 283 ASN B CA 1 ATOM 4621 C C . ASN B 1 203 ? -23.440 -47.018 73.099 1.00 13.08 ? 283 ASN B C 1 ATOM 4622 O O . ASN B 1 203 ? -22.849 -45.944 73.179 1.00 12.77 ? 283 ASN B O 1 ATOM 4623 C CB . ASN B 1 203 ? -22.738 -47.559 70.748 1.00 11.78 ? 283 ASN B CB 1 ATOM 4624 C CG . ASN B 1 203 ? -21.677 -48.592 71.087 1.00 11.38 ? 283 ASN B CG 1 ATOM 4625 O OD1 . ASN B 1 203 ? -21.795 -49.329 72.070 1.00 13.10 ? 283 ASN B OD1 1 ATOM 4626 N ND2 . ASN B 1 203 ? -20.637 -48.657 70.266 1.00 11.37 ? 283 ASN B ND2 1 ATOM 4627 N N . LEU B 1 204 ? -23.739 -47.764 74.158 1.00 13.67 ? 284 LEU B N 1 ATOM 4628 C CA . LEU B 1 204 ? -23.370 -47.371 75.515 1.00 15.65 ? 284 LEU B CA 1 ATOM 4629 C C . LEU B 1 204 ? -23.851 -45.962 75.868 1.00 15.31 ? 284 LEU B C 1 ATOM 4630 O O . LEU B 1 204 ? -23.143 -45.198 76.527 1.00 16.64 ? 284 LEU B O 1 ATOM 4631 C CB . LEU B 1 204 ? -21.857 -47.495 75.731 1.00 18.38 ? 284 LEU B CB 1 ATOM 4632 C CG . LEU B 1 204 ? -21.446 -47.839 77.165 1.00 23.32 ? 284 LEU B CG 1 ATOM 4633 C CD1 . LEU B 1 204 ? -22.037 -49.183 77.577 1.00 24.50 ? 284 LEU B CD1 1 ATOM 4634 C CD2 . LEU B 1 204 ? -19.932 -47.848 77.320 1.00 24.22 ? 284 LEU B CD2 1 ATOM 4635 N N . GLY B 1 205 ? -25.055 -45.620 75.421 1.00 12.96 ? 285 GLY B N 1 ATOM 4636 C CA . GLY B 1 205 ? -25.681 -44.373 75.826 1.00 14.09 ? 285 GLY B CA 1 ATOM 4637 C C . GLY B 1 205 ? -25.281 -43.164 75.004 1.00 12.99 ? 285 GLY B C 1 ATOM 4638 O O . GLY B 1 205 ? -25.735 -42.049 75.267 1.00 14.73 ? 285 GLY B O 1 ATOM 4639 N N . LYS B 1 206 ? -24.419 -43.377 74.016 1.00 13.45 ? 286 LYS B N 1 ATOM 4640 C CA . LYS B 1 206 ? -24.098 -42.337 73.048 1.00 13.69 ? 286 LYS B CA 1 ATOM 4641 C C . LYS B 1 206 ? -24.677 -42.700 71.691 1.00 13.74 ? 286 LYS B C 1 ATOM 4642 O O . LYS B 1 206 ? -24.981 -43.864 71.430 1.00 14.96 ? 286 LYS B O 1 ATOM 4643 C CB . LYS B 1 206 ? -22.586 -42.150 72.931 1.00 16.60 ? 286 LYS B CB 1 ATOM 4644 C CG . LYS B 1 206 ? -21.937 -41.596 74.189 1.00 18.22 ? 286 LYS B CG 1 ATOM 4645 C CD . LYS B 1 206 ? -20.466 -41.292 73.967 1.00 21.89 ? 286 LYS B CD 1 ATOM 4646 C CE . LYS B 1 206 ? -19.836 -40.687 75.209 1.00 24.70 ? 286 LYS B CE 1 ATOM 4647 N NZ . LYS B 1 206 ? -18.412 -40.319 74.977 1.00 27.26 ? 286 LYS B NZ 1 ATOM 4648 N N . VAL B 1 207 ? -24.839 -41.701 70.829 1.00 11.08 ? 287 VAL B N 1 ATOM 4649 C CA . VAL B 1 207 ? -25.255 -41.954 69.460 1.00 10.18 ? 287 VAL B CA 1 ATOM 4650 C C . VAL B 1 207 ? -24.026 -41.917 68.565 1.00 10.66 ? 287 VAL B C 1 ATOM 4651 O O . VAL B 1 207 ? -23.255 -40.950 68.586 1.00 11.58 ? 287 VAL B O 1 ATOM 4652 C CB . VAL B 1 207 ? -26.283 -40.917 68.967 1.00 9.88 ? 287 VAL B CB 1 ATOM 4653 C CG1 . VAL B 1 207 ? -26.712 -41.225 67.529 1.00 11.20 ? 287 VAL B CG1 1 ATOM 4654 C CG2 . VAL B 1 207 ? -27.493 -40.881 69.892 1.00 12.50 ? 287 VAL B CG2 1 ATOM 4655 N N . GLU B 1 208 ? -23.838 -42.981 67.793 1.00 10.19 ? 288 GLU B N 1 ATOM 4656 C CA . GLU B 1 208 ? -22.739 -43.053 66.838 1.00 10.12 ? 288 GLU B CA 1 ATOM 4657 C C . GLU B 1 208 ? -23.297 -43.073 65.419 1.00 9.55 ? 288 GLU B C 1 ATOM 4658 O O . GLU B 1 208 ? -24.211 -43.843 65.119 1.00 11.32 ? 288 GLU B O 1 ATOM 4659 C CB . GLU B 1 208 ? -21.859 -44.278 67.131 1.00 11.13 ? 288 GLU B CB 1 ATOM 4660 C CG . GLU B 1 208 ? -21.127 -44.159 68.469 1.00 12.82 ? 288 GLU B CG 1 ATOM 4661 C CD . GLU B 1 208 ? -20.321 -45.392 68.860 1.00 12.72 ? 288 GLU B CD 1 ATOM 4662 O OE1 . GLU B 1 208 ? -20.436 -46.440 68.197 1.00 13.90 ? 288 GLU B OE1 1 ATOM 4663 O OE2 . GLU B 1 208 ? -19.566 -45.307 69.853 1.00 14.30 ? 288 GLU B OE2 1 ATOM 4664 N N . CYS B 1 209 ? -22.756 -42.209 64.560 1.00 10.10 ? 289 CYS B N 1 ATOM 4665 C CA . CYS B 1 209 ? -23.260 -42.042 63.201 1.00 10.18 ? 289 CYS B CA 1 ATOM 4666 C C . CYS B 1 209 ? -22.151 -42.196 62.172 1.00 11.09 ? 289 CYS B C 1 ATOM 4667 O O . CYS B 1 209 ? -21.048 -41.671 62.343 1.00 12.09 ? 289 CYS B O 1 ATOM 4668 C CB . CYS B 1 209 ? -23.885 -40.656 63.018 1.00 12.92 ? 289 CYS B CB 1 ATOM 4669 S SG . CYS B 1 209 ? -25.282 -40.271 64.094 1.00 13.60 ? 289 CYS B SG 1 ATOM 4670 N N . VAL B 1 210 ? -22.461 -42.908 61.094 1.00 11.19 ? 290 VAL B N 1 ATOM 4671 C CA . VAL B 1 210 ? -21.572 -43.018 59.947 1.00 11.19 ? 290 VAL B CA 1 ATOM 4672 C C . VAL B 1 210 ? -22.324 -42.425 58.766 1.00 10.89 ? 290 VAL B C 1 ATOM 4673 O O . VAL B 1 210 ? -23.442 -42.842 58.462 1.00 10.82 ? 290 VAL B O 1 ATOM 4674 C CB . VAL B 1 210 ? -21.199 -44.480 59.655 1.00 11.76 ? 290 VAL B CB 1 ATOM 4675 C CG1 . VAL B 1 210 ? -20.278 -44.558 58.449 1.00 12.36 ? 290 VAL B CG1 1 ATOM 4676 C CG2 . VAL B 1 210 ? -20.542 -45.110 60.875 1.00 12.63 ? 290 VAL B CG2 1 ATOM 4677 N N . CYS B 1 211 ? -21.727 -41.440 58.107 1.00 10.24 ? 291 CYS B N 1 ATOM 4678 C CA . CYS B 1 211 ? -22.493 -40.626 57.175 1.00 10.91 ? 291 CYS B CA 1 ATOM 4679 C C . CYS B 1 211 ? -21.937 -40.626 55.753 1.00 10.85 ? 291 CYS B C 1 ATOM 4680 O O . CYS B 1 211 ? -21.076 -41.436 55.400 1.00 11.09 ? 291 CYS B O 1 ATOM 4681 C CB . CYS B 1 211 ? -22.611 -39.194 57.710 1.00 12.33 ? 291 CYS B CB 1 ATOM 4682 S SG . CYS B 1 211 ? -23.100 -39.093 59.472 1.00 14.62 ? 291 CYS B SG 1 ATOM 4683 N N . ARG B 1 212 ? -22.460 -39.718 54.937 1.00 10.25 ? 292 ARG B N 1 ATOM 4684 C CA . ARG B 1 212 ? -22.041 -39.578 53.552 1.00 10.84 ? 292 ARG B CA 1 ATOM 4685 C C . ARG B 1 212 ? -21.488 -38.178 53.328 1.00 10.54 ? 292 ARG B C 1 ATOM 4686 O O . ARG B 1 212 ? -22.149 -37.183 53.624 1.00 11.32 ? 292 ARG B O 1 ATOM 4687 C CB . ARG B 1 212 ? -23.229 -39.836 52.620 1.00 10.03 ? 292 ARG B CB 1 ATOM 4688 C CG . ARG B 1 212 ? -23.033 -39.411 51.164 1.00 10.73 ? 292 ARG B CG 1 ATOM 4689 C CD . ARG B 1 212 ? -24.332 -39.619 50.390 1.00 11.42 ? 292 ARG B CD 1 ATOM 4690 N NE . ARG B 1 212 ? -24.307 -39.053 49.043 1.00 11.32 ? 292 ARG B NE 1 ATOM 4691 C CZ . ARG B 1 212 ? -25.261 -39.258 48.138 1.00 11.24 ? 292 ARG B CZ 1 ATOM 4692 N NH1 . ARG B 1 212 ? -26.308 -40.021 48.436 1.00 12.96 ? 292 ARG B NH1 1 ATOM 4693 N NH2 . ARG B 1 212 ? -25.171 -38.704 46.937 1.00 12.61 ? 292 ARG B NH2 1 ATOM 4694 N N . ASP B 1 213 ? -20.261 -38.106 52.825 1.00 10.52 ? 293 ASP B N 1 ATOM 4695 C CA . ASP B 1 213 ? -19.664 -36.839 52.434 1.00 10.61 ? 293 ASP B CA 1 ATOM 4696 C C . ASP B 1 213 ? -19.910 -36.690 50.941 1.00 10.65 ? 293 ASP B C 1 ATOM 4697 O O . ASP B 1 213 ? -19.426 -37.498 50.165 1.00 11.40 ? 293 ASP B O 1 ATOM 4698 C CB . ASP B 1 213 ? -18.163 -36.854 52.752 1.00 11.64 ? 293 ASP B CB 1 ATOM 4699 C CG . ASP B 1 213 ? -17.445 -35.596 52.301 1.00 12.07 ? 293 ASP B CG 1 ATOM 4700 O OD1 . ASP B 1 213 ? -17.676 -35.143 51.164 1.00 12.09 ? 293 ASP B OD1 1 ATOM 4701 O OD2 . ASP B 1 213 ? -16.617 -35.073 53.080 1.00 13.95 ? 293 ASP B OD2 1 ATOM 4702 N N . ASN B 1 214 ? -20.686 -35.685 50.541 1.00 10.68 ? 294 ASN B N 1 ATOM 4703 C CA . ASN B 1 214 ? -21.044 -35.514 49.134 1.00 12.25 ? 294 ASN B CA 1 ATOM 4704 C C . ASN B 1 214 ? -20.215 -34.420 48.468 1.00 11.80 ? 294 ASN B C 1 ATOM 4705 O O . ASN B 1 214 ? -20.575 -33.906 47.406 1.00 11.81 ? 294 ASN B O 1 ATOM 4706 C CB . ASN B 1 214 ? -22.538 -35.200 48.997 1.00 12.80 ? 294 ASN B CB 1 ATOM 4707 C CG . ASN B 1 214 ? -23.129 -35.714 47.693 1.00 14.18 ? 294 ASN B CG 1 ATOM 4708 O OD1 . ASN B 1 214 ? -23.060 -36.905 47.394 1.00 12.58 ? 294 ASN B OD1 1 ATOM 4709 N ND2 . ASN B 1 214 ? -23.733 -34.817 46.920 1.00 14.94 ? 294 ASN B ND2 1 ATOM 4710 N N . TRP B 1 215 ? -19.092 -34.085 49.097 1.00 10.70 ? 295 TRP B N 1 ATOM 4711 C CA . TRP B 1 215 ? -18.249 -32.976 48.670 1.00 11.40 ? 295 TRP B CA 1 ATOM 4712 C C . TRP B 1 215 ? -16.857 -33.503 48.313 1.00 12.21 ? 295 TRP B C 1 ATOM 4713 O O . TRP B 1 215 ? -16.661 -34.017 47.215 1.00 14.25 ? 295 TRP B O 1 ATOM 4714 C CB . TRP B 1 215 ? -18.212 -31.920 49.784 1.00 12.28 ? 295 TRP B CB 1 ATOM 4715 C CG . TRP B 1 215 ? -17.446 -30.660 49.501 1.00 12.41 ? 295 TRP B CG 1 ATOM 4716 C CD1 . TRP B 1 215 ? -17.010 -30.206 48.289 1.00 13.57 ? 295 TRP B CD1 1 ATOM 4717 C CD2 . TRP B 1 215 ? -17.039 -29.682 50.467 1.00 12.47 ? 295 TRP B CD2 1 ATOM 4718 N NE1 . TRP B 1 215 ? -16.346 -29.010 48.445 1.00 13.05 ? 295 TRP B NE1 1 ATOM 4719 C CE2 . TRP B 1 215 ? -16.352 -28.666 49.771 1.00 13.01 ? 295 TRP B CE2 1 ATOM 4720 C CE3 . TRP B 1 215 ? -17.187 -29.570 51.854 1.00 13.13 ? 295 TRP B CE3 1 ATOM 4721 C CZ2 . TRP B 1 215 ? -15.810 -27.553 50.416 1.00 13.17 ? 295 TRP B CZ2 1 ATOM 4722 C CZ3 . TRP B 1 215 ? -16.650 -28.465 52.494 1.00 13.02 ? 295 TRP B CZ3 1 ATOM 4723 C CH2 . TRP B 1 215 ? -15.970 -27.471 51.774 1.00 13.46 ? 295 TRP B CH2 1 ATOM 4724 N N . ASN B 1 216 ? -15.907 -33.422 49.244 1.00 12.81 ? 296 ASN B N 1 ATOM 4725 C CA . ASN B 1 216 ? -14.519 -33.793 48.954 1.00 14.20 ? 296 ASN B CA 1 ATOM 4726 C C . ASN B 1 216 ? -14.044 -35.132 49.529 1.00 14.03 ? 296 ASN B C 1 ATOM 4727 O O . ASN B 1 216 ? -12.849 -35.430 49.489 1.00 15.65 ? 296 ASN B O 1 ATOM 4728 C CB . ASN B 1 216 ? -13.566 -32.687 49.430 1.00 15.33 ? 296 ASN B CB 1 ATOM 4729 C CG . ASN B 1 216 ? -13.660 -31.429 48.590 1.00 16.39 ? 296 ASN B CG 1 ATOM 4730 O OD1 . ASN B 1 216 ? -13.445 -30.320 49.086 1.00 19.53 ? 296 ASN B OD1 1 ATOM 4731 N ND2 . ASN B 1 216 ? -13.975 -31.592 47.311 1.00 14.85 ? 296 ASN B ND2 1 ATOM 4732 N N . GLY B 1 217 ? -14.957 -35.937 50.064 1.00 12.34 ? 297 GLY B N 1 ATOM 4733 C CA . GLY B 1 217 ? -14.549 -37.156 50.742 1.00 12.08 ? 297 GLY B CA 1 ATOM 4734 C C . GLY B 1 217 ? -15.079 -38.463 50.182 1.00 12.52 ? 297 GLY B C 1 ATOM 4735 O O . GLY B 1 217 ? -16.280 -38.616 49.990 1.00 11.86 ? 297 GLY B O 1 ATOM 4736 N N . MET B 1 218 ? -14.182 -39.414 49.937 1.00 13.22 ? 298 MET B N 1 ATOM 4737 C CA . MET B 1 218 ? -14.586 -40.776 49.594 1.00 13.52 ? 298 MET B CA 1 ATOM 4738 C C . MET B 1 218 ? -14.519 -41.653 50.843 1.00 14.15 ? 298 MET B C 1 ATOM 4739 O O . MET B 1 218 ? -14.913 -42.822 50.820 1.00 14.94 ? 298 MET B O 1 ATOM 4740 C CB . MET B 1 218 ? -13.708 -41.358 48.485 1.00 13.58 ? 298 MET B CB 1 ATOM 4741 C CG . MET B 1 218 ? -12.342 -41.816 48.962 1.00 14.84 ? 298 MET B CG 1 ATOM 4742 S SD . MET B 1 218 ? -11.325 -42.475 47.629 1.00 16.53 ? 298 MET B SD 1 ATOM 4743 C CE . MET B 1 218 ? -10.674 -40.963 46.931 1.00 16.19 ? 298 MET B CE 1 ATOM 4744 N N . ASN B 1 219 ? -13.997 -41.086 51.927 1.00 12.55 ? 299 ASN B N 1 ATOM 4745 C CA . ASN B 1 219 ? -14.151 -41.695 53.242 1.00 12.42 ? 299 ASN B CA 1 ATOM 4746 C C . ASN B 1 219 ? -15.407 -41.145 53.915 1.00 12.34 ? 299 ASN B C 1 ATOM 4747 O O . ASN B 1 219 ? -15.889 -40.072 53.548 1.00 14.01 ? 299 ASN B O 1 ATOM 4748 C CB . ASN B 1 219 ? -12.901 -41.515 54.122 1.00 12.76 ? 299 ASN B CB 1 ATOM 4749 C CG . ASN B 1 219 ? -12.386 -40.077 54.158 1.00 13.22 ? 299 ASN B CG 1 ATOM 4750 O OD1 . ASN B 1 219 ? -12.821 -39.219 53.392 1.00 14.23 ? 299 ASN B OD1 1 ATOM 4751 N ND2 . ASN B 1 219 ? -11.436 -39.818 55.053 1.00 14.48 ? 299 ASN B ND2 1 ATOM 4752 N N . ARG B 1 220 ? -15.954 -41.892 54.869 1.00 12.26 ? 300 ARG B N 1 ATOM 4753 C CA . ARG B 1 220 ? -17.212 -41.510 55.507 1.00 11.31 ? 300 ARG B CA 1 ATOM 4754 C C . ARG B 1 220 ? -17.009 -40.703 56.780 1.00 11.58 ? 300 ARG B C 1 ATOM 4755 O O . ARG B 1 220 ? -16.199 -41.070 57.627 1.00 13.43 ? 300 ARG B O 1 ATOM 4756 C CB . ARG B 1 220 ? -18.056 -42.745 55.823 1.00 10.65 ? 300 ARG B CB 1 ATOM 4757 C CG . ARG B 1 220 ? -18.554 -43.469 54.591 1.00 10.29 ? 300 ARG B CG 1 ATOM 4758 C CD . ARG B 1 220 ? -19.669 -44.442 54.929 1.00 10.55 ? 300 ARG B CD 1 ATOM 4759 N NE . ARG B 1 220 ? -20.161 -45.096 53.720 1.00 10.90 ? 300 ARG B NE 1 ATOM 4760 C CZ . ARG B 1 220 ? -20.978 -44.518 52.848 1.00 11.24 ? 300 ARG B CZ 1 ATOM 4761 N NH1 . ARG B 1 220 ? -21.405 -43.279 53.061 1.00 11.19 ? 300 ARG B NH1 1 ATOM 4762 N NH2 . ARG B 1 220 ? -21.370 -45.178 51.766 1.00 11.22 ? 300 ARG B NH2 1 ATOM 4763 N N . PRO B 1 221 ? -17.760 -39.600 56.923 1.00 11.17 ? 301 PRO B N 1 ATOM 4764 C CA . PRO B 1 221 ? -17.739 -38.856 58.186 1.00 11.51 ? 301 PRO B CA 1 ATOM 4765 C C . PRO B 1 221 ? -18.249 -39.710 59.341 1.00 12.12 ? 301 PRO B C 1 ATOM 4766 O O . PRO B 1 221 ? -19.135 -40.554 59.155 1.00 12.21 ? 301 PRO B O 1 ATOM 4767 C CB . PRO B 1 221 ? -18.714 -37.699 57.934 1.00 12.99 ? 301 PRO B CB 1 ATOM 4768 C CG . PRO B 1 221 ? -18.795 -37.567 56.458 1.00 12.14 ? 301 PRO B CG 1 ATOM 4769 C CD . PRO B 1 221 ? -18.615 -38.955 55.912 1.00 11.73 ? 301 PRO B CD 1 ATOM 4770 N N . ILE B 1 222 ? -17.676 -39.494 60.519 1.00 12.29 ? 302 ILE B N 1 ATOM 4771 C CA . ILE B 1 222 ? -18.158 -40.108 61.745 1.00 12.71 ? 302 ILE B CA 1 ATOM 4772 C C . ILE B 1 222 ? -18.567 -38.993 62.694 1.00 13.11 ? 302 ILE B C 1 ATOM 4773 O O . ILE B 1 222 ? -17.831 -38.023 62.880 1.00 15.38 ? 302 ILE B O 1 ATOM 4774 C CB . ILE B 1 222 ? -17.070 -40.970 62.416 1.00 15.32 ? 302 ILE B CB 1 ATOM 4775 C CG1 . ILE B 1 222 ? -16.679 -42.138 61.509 1.00 19.17 ? 302 ILE B CG1 1 ATOM 4776 C CG2 . ILE B 1 222 ? -17.543 -41.477 63.770 1.00 17.84 ? 302 ILE B CG2 1 ATOM 4777 C CD1 . ILE B 1 222 ? -17.780 -43.138 61.298 1.00 20.08 ? 302 ILE B CD1 1 ATOM 4778 N N . LEU B 1 223 ? -19.749 -39.130 63.280 1.00 12.27 ? 303 LEU B N 1 ATOM 4779 C CA . LEU B 1 223 ? -20.259 -38.157 64.230 1.00 11.99 ? 303 LEU B CA 1 ATOM 4780 C C . LEU B 1 223 ? -20.756 -38.905 65.456 1.00 11.45 ? 303 LEU B C 1 ATOM 4781 O O . LEU B 1 223 ? -21.572 -39.817 65.341 1.00 13.22 ? 303 LEU B O 1 ATOM 4782 C CB . LEU B 1 223 ? -21.397 -37.347 63.605 1.00 13.03 ? 303 LEU B CB 1 ATOM 4783 C CG . LEU B 1 223 ? -22.141 -36.376 64.523 1.00 13.63 ? 303 LEU B CG 1 ATOM 4784 C CD1 . LEU B 1 223 ? -21.225 -35.260 65.016 1.00 13.97 ? 303 LEU B CD1 1 ATOM 4785 C CD2 . LEU B 1 223 ? -23.357 -35.802 63.809 1.00 14.18 ? 303 LEU B CD2 1 ATOM 4786 N N . ILE B 1 224 ? -20.248 -38.531 66.625 1.00 11.44 ? 304 ILE B N 1 ATOM 4787 C CA . ILE B 1 224 ? -20.638 -39.176 67.868 1.00 12.13 ? 304 ILE B CA 1 ATOM 4788 C C . ILE B 1 224 ? -21.093 -38.106 68.843 1.00 12.07 ? 304 ILE B C 1 ATOM 4789 O O . ILE B 1 224 ? -20.406 -37.106 69.030 1.00 13.89 ? 304 ILE B O 1 ATOM 4790 C CB . ILE B 1 224 ? -19.455 -39.940 68.490 1.00 13.26 ? 304 ILE B CB 1 ATOM 4791 C CG1 . ILE B 1 224 ? -18.875 -40.942 67.489 1.00 16.16 ? 304 ILE B CG1 1 ATOM 4792 C CG2 . ILE B 1 224 ? -19.876 -40.628 69.786 1.00 14.41 ? 304 ILE B CG2 1 ATOM 4793 C CD1 . ILE B 1 224 ? -17.546 -41.518 67.928 1.00 18.98 ? 304 ILE B CD1 1 ATOM 4794 N N . PHE B 1 225 ? -22.250 -38.302 69.465 1.00 10.97 ? 305 PHE B N 1 ATOM 4795 C CA . PHE B 1 225 ? -22.732 -37.305 70.414 1.00 11.00 ? 305 PHE B CA 1 ATOM 4796 C C . PHE B 1 225 ? -23.434 -37.913 71.623 1.00 12.13 ? 305 PHE B C 1 ATOM 4797 O O . PHE B 1 225 ? -23.848 -39.075 71.598 1.00 13.93 ? 305 PHE B O 1 ATOM 4798 C CB . PHE B 1 225 ? -23.610 -36.250 69.719 1.00 11.66 ? 305 PHE B CB 1 ATOM 4799 C CG . PHE B 1 225 ? -24.833 -36.807 69.036 1.00 9.75 ? 305 PHE B CG 1 ATOM 4800 C CD1 . PHE B 1 225 ? -26.025 -36.949 69.729 1.00 10.56 ? 305 PHE B CD1 1 ATOM 4801 C CD2 . PHE B 1 225 ? -24.796 -37.161 67.695 1.00 10.82 ? 305 PHE B CD2 1 ATOM 4802 C CE1 . PHE B 1 225 ? -27.157 -37.451 69.106 1.00 12.55 ? 305 PHE B CE1 1 ATOM 4803 C CE2 . PHE B 1 225 ? -25.925 -37.659 67.062 1.00 10.39 ? 305 PHE B CE2 1 ATOM 4804 C CZ . PHE B 1 225 ? -27.107 -37.804 67.769 1.00 12.30 ? 305 PHE B CZ 1 ATOM 4805 N N . ASP B 1 226 ? -23.547 -37.123 72.688 1.00 11.99 ? 306 ASP B N 1 ATOM 4806 C CA . ASP B 1 226 ? -24.197 -37.580 73.911 1.00 12.52 ? 306 ASP B CA 1 ATOM 4807 C C . ASP B 1 226 ? -25.529 -36.870 74.133 1.00 12.80 ? 306 ASP B C 1 ATOM 4808 O O . ASP B 1 226 ? -25.957 -36.066 73.300 1.00 11.88 ? 306 ASP B O 1 ATOM 4809 C CB . ASP B 1 226 ? -23.267 -37.432 75.128 1.00 13.58 ? 306 ASP B CB 1 ATOM 4810 C CG . ASP B 1 226 ? -22.879 -35.988 75.420 1.00 15.75 ? 306 ASP B CG 1 ATOM 4811 O OD1 . ASP B 1 226 ? -23.630 -35.062 75.052 1.00 15.18 ? 306 ASP B OD1 1 ATOM 4812 O OD2 . ASP B 1 226 ? -21.812 -35.780 76.041 1.00 18.53 ? 306 ASP B OD2 1 ATOM 4813 N N . GLU B 1 227 ? -26.179 -37.174 75.253 1.00 12.73 ? 308 GLU B N 1 ATOM 4814 C CA . GLU B 1 227 ? -27.511 -36.646 75.546 1.00 13.66 ? 308 GLU B CA 1 ATOM 4815 C C . GLU B 1 227 ? -27.537 -35.124 75.696 1.00 12.75 ? 308 GLU B C 1 ATOM 4816 O O . GLU B 1 227 ? -28.591 -34.506 75.551 1.00 14.56 ? 308 GLU B O 1 ATOM 4817 C CB . GLU B 1 227 ? -28.079 -37.304 76.806 1.00 16.02 ? 308 GLU B CB 1 ATOM 4818 C CG . GLU B 1 227 ? -27.205 -37.094 78.040 1.00 21.67 ? 308 GLU B CG 1 ATOM 4819 C CD . GLU B 1 227 ? -27.780 -37.716 79.300 1.00 25.24 ? 308 GLU B CD 1 ATOM 4820 O OE1 . GLU B 1 227 ? -27.097 -37.658 80.346 1.00 26.65 ? 308 GLU B OE1 1 ATOM 4821 O OE2 . GLU B 1 227 ? -28.906 -38.258 79.250 1.00 25.94 ? 308 GLU B OE2 1 ATOM 4822 N N . ASP B 1 228 ? -26.386 -34.526 75.998 1.00 11.58 ? 309 ASP B N 1 ATOM 4823 C CA . ASP B 1 228 ? -26.281 -33.072 76.110 1.00 12.83 ? 309 ASP B CA 1 ATOM 4824 C C . ASP B 1 228 ? -25.922 -32.433 74.763 1.00 12.94 ? 309 ASP B C 1 ATOM 4825 O O . ASP B 1 228 ? -25.730 -31.217 74.668 1.00 14.12 ? 309 ASP B O 1 ATOM 4826 C CB . ASP B 1 228 ? -25.237 -32.690 77.161 1.00 13.11 ? 309 ASP B CB 1 ATOM 4827 C CG . ASP B 1 228 ? -25.696 -32.983 78.583 1.00 14.45 ? 309 ASP B CG 1 ATOM 4828 O OD1 . ASP B 1 228 ? -26.921 -33.005 78.833 1.00 14.39 ? 309 ASP B OD1 1 ATOM 4829 O OD2 . ASP B 1 228 ? -24.825 -33.178 79.460 1.00 15.78 ? 309 ASP B OD2 1 ATOM 4830 N N . LEU B 1 229 ? -25.835 -33.273 73.735 1.00 13.22 ? 310 LEU B N 1 ATOM 4831 C CA . LEU B 1 229 ? -25.490 -32.870 72.367 1.00 12.47 ? 310 LEU B CA 1 ATOM 4832 C C . LEU B 1 229 ? -24.046 -32.394 72.192 1.00 12.90 ? 310 LEU B C 1 ATOM 4833 O O . LEU B 1 229 ? -23.708 -31.768 71.186 1.00 13.66 ? 310 LEU B O 1 ATOM 4834 C CB . LEU B 1 229 ? -26.485 -31.849 71.800 1.00 12.12 ? 310 LEU B CB 1 ATOM 4835 C CG . LEU B 1 229 ? -27.940 -32.323 71.755 1.00 12.47 ? 310 LEU B CG 1 ATOM 4836 C CD1 . LEU B 1 229 ? -28.789 -31.393 70.893 1.00 12.11 ? 310 LEU B CD1 1 ATOM 4837 C CD2 . LEU B 1 229 ? -28.025 -33.754 71.242 1.00 15.28 ? 310 LEU B CD2 1 ATOM 4838 N N . ASP B 1 230 ? -23.193 -32.698 73.165 1.00 13.24 ? 311 ASP B N 1 ATOM 4839 C CA . ASP B 1 230 ? -21.763 -32.535 72.956 1.00 14.81 ? 311 ASP B CA 1 ATOM 4840 C C . ASP B 1 230 ? -21.329 -33.616 71.973 1.00 13.98 ? 311 ASP B C 1 ATOM 4841 O O . ASP B 1 230 ? -21.853 -34.729 71.999 1.00 14.44 ? 311 ASP B O 1 ATOM 4842 C CB . ASP B 1 230 ? -20.998 -32.638 74.270 1.00 17.61 ? 311 ASP B CB 1 ATOM 4843 C CG . ASP B 1 230 ? -21.107 -31.374 75.104 1.00 19.39 ? 311 ASP B CG 1 ATOM 4844 O OD1 . ASP B 1 230 ? -21.505 -30.325 74.554 1.00 20.94 ? 311 ASP B OD1 1 ATOM 4845 O OD2 . ASP B 1 230 ? -20.791 -31.425 76.309 1.00 21.31 ? 311 ASP B OD2 1 ATOM 4846 N N . TYR B 1 231 ? -20.388 -33.294 71.094 1.00 13.78 ? 312 TYR B N 1 ATOM 4847 C CA . TYR B 1 231 ? -20.088 -34.195 69.986 1.00 13.27 ? 312 TYR B CA 1 ATOM 4848 C C . TYR B 1 231 ? -18.607 -34.257 69.636 1.00 14.06 ? 312 TYR B C 1 ATOM 4849 O O . TYR B 1 231 ? -17.821 -33.379 70.007 1.00 14.55 ? 312 TYR B O 1 ATOM 4850 C CB . TYR B 1 231 ? -20.867 -33.767 68.740 1.00 12.78 ? 312 TYR B CB 1 ATOM 4851 C CG . TYR B 1 231 ? -20.408 -32.433 68.208 1.00 12.53 ? 312 TYR B CG 1 ATOM 4852 C CD1 . TYR B 1 231 ? -19.365 -32.353 67.296 1.00 13.27 ? 312 TYR B CD1 1 ATOM 4853 C CD2 . TYR B 1 231 ? -20.998 -31.253 68.637 1.00 14.04 ? 312 TYR B CD2 1 ATOM 4854 C CE1 . TYR B 1 231 ? -18.928 -31.132 66.816 1.00 13.65 ? 312 TYR B CE1 1 ATOM 4855 C CE2 . TYR B 1 231 ? -20.570 -30.028 68.164 1.00 15.14 ? 312 TYR B CE2 1 ATOM 4856 C CZ . TYR B 1 231 ? -19.534 -29.972 67.257 1.00 14.63 ? 312 TYR B CZ 1 ATOM 4857 O OH . TYR B 1 231 ? -19.102 -28.755 66.789 1.00 16.21 ? 312 TYR B OH 1 ATOM 4858 N N . GLU B 1 232 ? -18.249 -35.319 68.920 1.00 13.73 ? 313 GLU B N 1 ATOM 4859 C CA . GLU B 1 232 ? -16.968 -35.436 68.236 1.00 14.84 ? 313 GLU B CA 1 ATOM 4860 C C . GLU B 1 232 ? -17.282 -35.688 66.770 1.00 13.88 ? 313 GLU B C 1 ATOM 4861 O O . GLU B 1 232 ? -18.178 -36.471 66.451 1.00 13.82 ? 313 GLU B O 1 ATOM 4862 C CB . GLU B 1 232 ? -16.166 -36.617 68.775 1.00 18.05 ? 313 GLU B CB 1 ATOM 4863 C CG . GLU B 1 232 ? -15.958 -36.624 70.274 1.00 25.20 ? 313 GLU B CG 1 ATOM 4864 C CD . GLU B 1 232 ? -15.353 -37.928 70.757 1.00 31.89 ? 313 GLU B CD 1 ATOM 4865 O OE1 . GLU B 1 232 ? -14.118 -38.090 70.649 1.00 34.53 ? 313 GLU B OE1 1 ATOM 4866 O OE2 . GLU B 1 232 ? -16.116 -38.796 71.236 1.00 34.16 ? 313 GLU B OE2 1 ATOM 4867 N N . VAL B 1 233 ? -16.552 -35.033 65.875 1.00 12.25 ? 314 VAL B N 1 ATOM 4868 C CA . VAL B 1 233 ? -16.775 -35.229 64.450 1.00 12.77 ? 314 VAL B CA 1 ATOM 4869 C C . VAL B 1 233 ? -15.446 -35.412 63.728 1.00 13.27 ? 314 VAL B C 1 ATOM 4870 O O . VAL B 1 233 ? -14.436 -34.809 64.094 1.00 15.21 ? 314 VAL B O 1 ATOM 4871 C CB . VAL B 1 233 ? -17.599 -34.070 63.827 1.00 13.32 ? 314 VAL B CB 1 ATOM 4872 C CG1 . VAL B 1 233 ? -16.807 -32.770 63.840 1.00 14.75 ? 314 VAL B CG1 1 ATOM 4873 C CG2 . VAL B 1 233 ? -18.048 -34.423 62.410 1.00 13.87 ? 314 VAL B CG2 1 ATOM 4874 N N . GLY B 1 234 ? -15.450 -36.270 62.718 1.00 12.13 ? 315 GLY B N 1 ATOM 4875 C CA . GLY B 1 234 ? -14.252 -36.572 61.961 1.00 12.14 ? 315 GLY B CA 1 ATOM 4876 C C . GLY B 1 234 ? -14.580 -37.524 60.831 1.00 11.11 ? 315 GLY B C 1 ATOM 4877 O O . GLY B 1 234 ? -15.698 -37.523 60.316 1.00 12.07 ? 315 GLY B O 1 ATOM 4878 N N . TYR B 1 235 ? -13.602 -38.333 60.443 1.00 11.44 ? 316 TYR B N 1 ATOM 4879 C CA . TYR B 1 235 ? -13.800 -39.330 59.400 1.00 12.92 ? 316 TYR B CA 1 ATOM 4880 C C . TYR B 1 235 ? -13.445 -40.718 59.906 1.00 12.84 ? 316 TYR B C 1 ATOM 4881 O O . TYR B 1 235 ? -12.645 -40.862 60.830 1.00 14.89 ? 316 TYR B O 1 ATOM 4882 C CB . TYR B 1 235 ? -12.988 -38.973 58.150 1.00 12.26 ? 316 TYR B CB 1 ATOM 4883 C CG . TYR B 1 235 ? -13.638 -37.860 57.371 1.00 12.29 ? 316 TYR B CG 1 ATOM 4884 C CD1 . TYR B 1 235 ? -13.435 -36.533 57.722 1.00 13.61 ? 316 TYR B CD1 1 ATOM 4885 C CD2 . TYR B 1 235 ? -14.495 -38.137 56.312 1.00 11.96 ? 316 TYR B CD2 1 ATOM 4886 C CE1 . TYR B 1 235 ? -14.053 -35.510 57.033 1.00 13.62 ? 316 TYR B CE1 1 ATOM 4887 C CE2 . TYR B 1 235 ? -15.118 -37.122 55.613 1.00 13.09 ? 316 TYR B CE2 1 ATOM 4888 C CZ . TYR B 1 235 ? -14.891 -35.810 55.978 1.00 14.06 ? 316 TYR B CZ 1 ATOM 4889 O OH . TYR B 1 235 ? -15.510 -34.793 55.298 1.00 15.58 ? 316 TYR B OH 1 ATOM 4890 N N . LEU B 1 236 ? -14.061 -41.735 59.316 1.00 12.90 ? 317 LEU B N 1 ATOM 4891 C CA . LEU B 1 236 ? -13.724 -43.110 59.658 1.00 13.44 ? 317 LEU B CA 1 ATOM 4892 C C . LEU B 1 236 ? -12.239 -43.316 59.388 1.00 14.68 ? 317 LEU B C 1 ATOM 4893 O O . LEU B 1 236 ? -11.782 -43.180 58.253 1.00 15.76 ? 317 LEU B O 1 ATOM 4894 C CB . LEU B 1 236 ? -14.561 -44.092 58.841 1.00 13.71 ? 317 LEU B CB 1 ATOM 4895 C CG . LEU B 1 236 ? -14.366 -45.572 59.173 1.00 14.95 ? 317 LEU B CG 1 ATOM 4896 C CD1 . LEU B 1 236 ? -14.687 -45.842 60.634 1.00 16.32 ? 317 LEU B CD1 1 ATOM 4897 C CD2 . LEU B 1 236 ? -15.221 -46.440 58.262 1.00 15.10 ? 317 LEU B CD2 1 ATOM 4898 N N . CYS B 1 237 ? -11.489 -43.631 60.439 1.00 14.92 ? 318 CYS B N 1 ATOM 4899 C CA . CYS B 1 237 ? -10.029 -43.695 60.361 1.00 17.00 ? 318 CYS B CA 1 ATOM 4900 C C . CYS B 1 237 ? -9.517 -44.684 59.320 1.00 16.51 ? 318 CYS B C 1 ATOM 4901 O O . CYS B 1 237 ? -8.487 -44.446 58.686 1.00 17.16 ? 318 CYS B O 1 ATOM 4902 C CB . CYS B 1 237 ? -9.442 -44.063 61.724 1.00 19.49 ? 318 CYS B CB 1 ATOM 4903 S SG . CYS B 1 237 ? -9.633 -42.803 62.997 1.00 25.07 ? 318 CYS B SG 1 ATOM 4904 N N . ALA B 1 238 ? -10.236 -45.790 59.158 1.00 16.25 ? 319 ALA B N 1 ATOM 4905 C CA . ALA B 1 238 ? -9.779 -46.909 58.338 1.00 17.15 ? 319 ALA B CA 1 ATOM 4906 C C . ALA B 1 238 ? -9.141 -46.481 57.020 1.00 17.00 ? 319 ALA B C 1 ATOM 4907 O O . ALA B 1 238 ? -9.643 -45.590 56.330 1.00 17.34 ? 319 ALA B O 1 ATOM 4908 C CB . ALA B 1 238 ? -10.926 -47.879 58.078 1.00 18.08 ? 319 ALA B CB 1 ATOM 4909 N N . GLY B 1 239 ? -8.031 -47.133 56.681 1.00 16.41 ? 320 GLY B N 1 ATOM 4910 C CA . GLY B 1 239 ? -7.358 -46.910 55.414 1.00 16.31 ? 320 GLY B CA 1 ATOM 4911 C C . GLY B 1 239 ? -8.043 -47.660 54.289 1.00 17.62 ? 320 GLY B C 1 ATOM 4912 O O . GLY B 1 239 ? -7.429 -47.985 53.273 1.00 19.77 ? 320 GLY B O 1 ATOM 4913 N N . ILE B 1 240 ? -9.325 -47.947 54.492 1.00 16.84 ? 321 ILE B N 1 ATOM 4914 C CA . ILE B 1 240 ? -10.170 -48.557 53.479 1.00 16.85 ? 321 ILE B CA 1 ATOM 4915 C C . ILE B 1 240 ? -11.338 -47.608 53.239 1.00 15.26 ? 321 ILE B C 1 ATOM 4916 O O . ILE B 1 240 ? -12.111 -47.336 54.157 1.00 16.30 ? 321 ILE B O 1 ATOM 4917 C CB . ILE B 1 240 ? -10.728 -49.917 53.958 1.00 18.09 ? 321 ILE B CB 1 ATOM 4918 C CG1 . ILE B 1 240 ? -9.594 -50.873 54.349 1.00 19.39 ? 321 ILE B CG1 1 ATOM 4919 C CG2 . ILE B 1 240 ? -11.628 -50.539 52.897 1.00 19.16 ? 321 ILE B CG2 1 ATOM 4920 C CD1 . ILE B 1 240 ? -8.722 -51.317 53.189 1.00 20.22 ? 321 ILE B CD1 1 ATOM 4921 N N . PRO B 1 241 ? -11.468 -47.087 52.007 1.00 13.76 ? 322 PRO B N 1 ATOM 4922 C CA . PRO B 1 241 ? -12.564 -46.152 51.726 1.00 14.15 ? 322 PRO B CA 1 ATOM 4923 C C . PRO B 1 241 ? -13.870 -46.904 51.502 1.00 13.12 ? 322 PRO B C 1 ATOM 4924 O O . PRO B 1 241 ? -13.856 -47.974 50.894 1.00 13.99 ? 322 PRO B O 1 ATOM 4925 C CB . PRO B 1 241 ? -12.118 -45.463 50.436 1.00 14.41 ? 322 PRO B CB 1 ATOM 4926 C CG . PRO B 1 241 ? -11.174 -46.427 49.777 1.00 14.90 ? 322 PRO B CG 1 ATOM 4927 C CD . PRO B 1 241 ? -10.672 -47.405 50.809 1.00 14.22 ? 322 PRO B CD 1 ATOM 4928 N N . THR B 1 242 ? -14.983 -46.366 51.987 1.00 12.63 ? 323 THR B N 1 ATOM 4929 C CA . THR B 1 242 ? -16.242 -47.104 51.900 1.00 11.93 ? 323 THR B CA 1 ATOM 4930 C C . THR B 1 242 ? -17.402 -46.342 51.260 1.00 11.48 ? 323 THR B C 1 ATOM 4931 O O . THR B 1 242 ? -18.523 -46.843 51.220 1.00 13.03 ? 323 THR B O 1 ATOM 4932 C CB . THR B 1 242 ? -16.687 -47.661 53.268 1.00 12.00 ? 323 THR B CB 1 ATOM 4933 O OG1 . THR B 1 242 ? -17.010 -46.579 54.150 1.00 12.38 ? 323 THR B OG1 1 ATOM 4934 C CG2 . THR B 1 242 ? -15.589 -48.523 53.881 1.00 12.83 ? 323 THR B CG2 1 ATOM 4935 N N . ASP B 1 243 ? -17.140 -45.139 50.761 1.00 11.77 ? 324 ASP B N 1 ATOM 4936 C CA . ASP B 1 243 ? -18.146 -44.426 49.980 1.00 10.69 ? 324 ASP B CA 1 ATOM 4937 C C . ASP B 1 243 ? -18.116 -44.939 48.538 1.00 10.89 ? 324 ASP B C 1 ATOM 4938 O O . ASP B 1 243 ? -17.246 -45.725 48.167 1.00 13.25 ? 324 ASP B O 1 ATOM 4939 C CB . ASP B 1 243 ? -17.862 -42.926 50.005 1.00 11.63 ? 324 ASP B CB 1 ATOM 4940 C CG . ASP B 1 243 ? -19.079 -42.086 49.665 1.00 12.48 ? 324 ASP B CG 1 ATOM 4941 O OD1 . ASP B 1 243 ? -20.187 -42.629 49.479 1.00 11.61 ? 324 ASP B OD1 1 ATOM 4942 O OD2 . ASP B 1 243 ? -18.922 -40.854 49.599 1.00 13.03 ? 324 ASP B OD2 1 ATOM 4943 N N . THR B 1 244 ? -19.077 -44.499 47.735 1.00 10.67 ? 325 THR B N 1 ATOM 4944 C CA . THR B 1 244 ? -19.061 -44.746 46.297 1.00 11.13 ? 325 THR B CA 1 ATOM 4945 C C . THR B 1 244 ? -19.533 -43.469 45.622 1.00 12.09 ? 325 THR B C 1 ATOM 4946 O O . THR B 1 244 ? -20.602 -42.962 45.953 1.00 12.90 ? 325 THR B O 1 ATOM 4947 C CB . THR B 1 244 ? -20.007 -45.895 45.897 1.00 11.63 ? 325 THR B CB 1 ATOM 4948 O OG1 . THR B 1 244 ? -19.735 -47.051 46.699 1.00 13.57 ? 325 THR B OG1 1 ATOM 4949 C CG2 . THR B 1 244 ? -19.832 -46.247 44.426 1.00 12.70 ? 325 THR B CG2 1 ATOM 4950 N N . PRO B 1 245 ? -18.745 -42.936 44.674 1.00 12.81 ? 326 PRO B N 1 ATOM 4951 C CA . PRO B 1 245 ? -17.500 -43.492 44.132 1.00 12.43 ? 326 PRO B CA 1 ATOM 4952 C C . PRO B 1 245 ? -16.291 -43.349 45.056 1.00 12.43 ? 326 PRO B C 1 ATOM 4953 O O . PRO B 1 245 ? -16.266 -42.510 45.961 1.00 13.73 ? 326 PRO B O 1 ATOM 4954 C CB . PRO B 1 245 ? -17.281 -42.664 42.862 1.00 13.74 ? 326 PRO B CB 1 ATOM 4955 C CG . PRO B 1 245 ? -17.893 -41.345 43.183 1.00 14.34 ? 326 PRO B CG 1 ATOM 4956 C CD . PRO B 1 245 ? -19.092 -41.649 44.041 1.00 13.41 ? 326 PRO B CD 1 ATOM 4957 N N . ARG B 1 246 ? -15.293 -44.188 44.809 1.00 13.15 ? 327 ARG B N 1 ATOM 4958 C CA . ARG B 1 246 ? -14.039 -44.171 45.545 1.00 13.48 ? 327 ARG B CA 1 ATOM 4959 C C . ARG B 1 246 ? -12.956 -44.719 44.625 1.00 15.28 ? 327 ARG B C 1 ATOM 4960 O O . ARG B 1 246 ? -13.235 -45.099 43.489 1.00 16.71 ? 327 ARG B O 1 ATOM 4961 C CB . ARG B 1 246 ? -14.147 -45.043 46.795 1.00 13.71 ? 327 ARG B CB 1 ATOM 4962 C CG . ARG B 1 246 ? -14.424 -46.512 46.497 1.00 12.60 ? 327 ARG B CG 1 ATOM 4963 C CD . ARG B 1 246 ? -14.558 -47.343 47.767 1.00 12.69 ? 327 ARG B CD 1 ATOM 4964 N NE . ARG B 1 246 ? -14.701 -48.759 47.441 1.00 12.67 ? 327 ARG B NE 1 ATOM 4965 C CZ . ARG B 1 246 ? -15.861 -49.366 47.212 1.00 12.43 ? 327 ARG B CZ 1 ATOM 4966 N NH1 . ARG B 1 246 ? -17.001 -48.690 47.296 1.00 12.22 ? 327 ARG B NH1 1 ATOM 4967 N NH2 . ARG B 1 246 ? -15.879 -50.655 46.905 1.00 13.49 ? 327 ARG B NH2 1 ATOM 4968 N N . VAL B 1 247 ? -11.720 -44.760 45.111 1.00 14.66 ? 328 VAL B N 1 ATOM 4969 C CA . VAL B 1 247 ? -10.648 -45.420 44.372 1.00 16.19 ? 328 VAL B CA 1 ATOM 4970 C C . VAL B 1 247 ? -10.395 -46.800 44.967 1.00 16.95 ? 328 VAL B C 1 ATOM 4971 O O . VAL B 1 247 ? -10.951 -47.143 46.008 1.00 17.60 ? 328 VAL B O 1 ATOM 4972 C CB . VAL B 1 247 ? -9.342 -44.604 44.396 1.00 16.40 ? 328 VAL B CB 1 ATOM 4973 C CG1 . VAL B 1 247 ? -9.567 -43.223 43.799 1.00 17.69 ? 328 VAL B CG1 1 ATOM 4974 C CG2 . VAL B 1 247 ? -8.798 -44.505 45.814 1.00 17.19 ? 328 VAL B CG2 1 ATOM 4975 N N . GLN B 1 248 ? -9.560 -47.594 44.305 1.00 17.74 ? 329 GLN B N 1 ATOM 4976 C CA . GLN B 1 248 ? -9.193 -48.901 44.836 1.00 19.04 ? 329 GLN B CA 1 ATOM 4977 C C . GLN B 1 248 ? -8.441 -48.723 46.150 1.00 18.18 ? 329 GLN B C 1 ATOM 4978 O O . GLN B 1 248 ? -7.785 -47.704 46.367 1.00 18.31 ? 329 GLN B O 1 ATOM 4979 C CB . GLN B 1 248 ? -8.346 -49.684 43.828 1.00 21.33 ? 329 GLN B CB 1 ATOM 4980 C CG . GLN B 1 248 ? -7.042 -49.004 43.441 1.00 27.81 ? 329 GLN B CG 1 ATOM 4981 C CD . GLN B 1 248 ? -6.256 -49.796 42.412 1.00 32.73 ? 329 GLN B CD 1 ATOM 4982 O OE1 . GLN B 1 248 ? -6.445 -51.003 42.262 1.00 34.79 ? 329 GLN B OE1 1 ATOM 4983 N NE2 . GLN B 1 248 ? -5.364 -49.117 41.699 1.00 34.72 ? 329 GLN B NE2 1 ATOM 4984 N N . ASP B 1 249 ? -8.544 -49.716 47.027 1.00 17.94 ? 330 ASP B N 1 ATOM 4985 C CA . ASP B 1 249 ? -7.955 -49.625 48.359 1.00 18.69 ? 330 ASP B CA 1 ATOM 4986 C C . ASP B 1 249 ? -6.476 -49.238 48.331 1.00 19.73 ? 330 ASP B C 1 ATOM 4987 O O . ASP B 1 249 ? -6.023 -48.434 49.146 1.00 20.02 ? 330 ASP B O 1 ATOM 4988 C CB . ASP B 1 249 ? -8.140 -50.942 49.117 1.00 18.23 ? 330 ASP B CB 1 ATOM 4989 C CG . ASP B 1 249 ? -9.600 -51.249 49.412 1.00 19.68 ? 330 ASP B CG 1 ATOM 4990 O OD1 . ASP B 1 249 ? -10.442 -50.333 49.301 1.00 19.40 ? 330 ASP B OD1 1 ATOM 4991 O OD2 . ASP B 1 249 ? -9.904 -52.408 49.764 1.00 21.60 ? 330 ASP B OD2 1 ATOM 4992 N N . SER B 1 250 ? -5.728 -49.803 47.388 1.00 19.87 ? 331 SER B N 1 ATOM 4993 C CA . SER B 1 250 ? -4.285 -49.589 47.330 1.00 21.62 ? 331 SER B CA 1 ATOM 4994 C C . SER B 1 250 ? -3.910 -48.155 46.947 1.00 22.06 ? 331 SER B C 1 ATOM 4995 O O . SER B 1 250 ? -2.758 -47.747 47.099 1.00 24.31 ? 331 SER B O 1 ATOM 4996 C CB . SER B 1 250 ? -3.628 -50.588 46.369 1.00 22.42 ? 331 SER B CB 1 ATOM 4997 O OG . SER B 1 250 ? -4.108 -50.420 45.046 1.00 24.21 ? 331 SER B OG 1 ATOM 4998 N N . SER B 1 251 ? -4.883 -47.396 46.452 1.00 20.51 ? 332 SER B N 1 ATOM 4999 C CA . SER B 1 251 ? -4.642 -46.014 46.046 1.00 20.04 ? 332 SER B CA 1 ATOM 5000 C C . SER B 1 251 ? -5.136 -45.028 47.099 1.00 19.67 ? 332 SER B C 1 ATOM 5001 O O . SER B 1 251 ? -5.154 -43.817 46.870 1.00 22.04 ? 332 SER B O 1 ATOM 5002 C CB . SER B 1 251 ? -5.328 -45.719 44.709 1.00 21.00 ? 332 SER B CB 1 ATOM 5003 O OG . SER B 1 251 ? -4.737 -46.457 43.652 1.00 22.92 ? 332 SER B OG 1 ATOM 5004 N N . PHE B 1 252 ? -5.528 -45.554 48.254 1.00 18.16 ? 333 PHE B N 1 ATOM 5005 C CA . PHE B 1 252 ? -6.157 -44.753 49.295 1.00 17.84 ? 333 PHE B CA 1 ATOM 5006 C C . PHE B 1 252 ? -5.333 -44.760 50.576 1.00 19.23 ? 333 PHE B C 1 ATOM 5007 O O . PHE B 1 252 ? -4.853 -45.806 51.010 1.00 19.70 ? 333 PHE B O 1 ATOM 5008 C CB . PHE B 1 252 ? -7.566 -45.292 49.576 1.00 17.14 ? 333 PHE B CB 1 ATOM 5009 C CG . PHE B 1 252 ? -8.302 -44.558 50.665 1.00 16.91 ? 333 PHE B CG 1 ATOM 5010 C CD1 . PHE B 1 252 ? -8.970 -43.376 50.393 1.00 17.45 ? 333 PHE B CD1 1 ATOM 5011 C CD2 . PHE B 1 252 ? -8.345 -45.064 51.955 1.00 15.93 ? 333 PHE B CD2 1 ATOM 5012 C CE1 . PHE B 1 252 ? -9.656 -42.703 51.391 1.00 16.40 ? 333 PHE B CE1 1 ATOM 5013 C CE2 . PHE B 1 252 ? -9.030 -44.397 52.957 1.00 15.86 ? 333 PHE B CE2 1 ATOM 5014 C CZ . PHE B 1 252 ? -9.686 -43.213 52.673 1.00 16.49 ? 333 PHE B CZ 1 ATOM 5015 N N . THR B 1 253 ? -5.167 -43.584 51.173 1.00 20.00 ? 334 THR B N 1 ATOM 5016 C CA . THR B 1 253 ? -4.559 -43.465 52.493 1.00 20.31 ? 334 THR B CA 1 ATOM 5017 C C . THR B 1 253 ? -5.579 -42.855 53.449 1.00 19.77 ? 334 THR B C 1 ATOM 5018 O O . THR B 1 253 ? -6.135 -41.789 53.181 1.00 20.65 ? 334 THR B O 1 ATOM 5019 C CB . THR B 1 253 ? -3.289 -42.592 52.464 1.00 22.19 ? 334 THR B CB 1 ATOM 5020 O OG1 . THR B 1 253 ? -2.338 -43.157 51.554 1.00 23.70 ? 334 THR B OG1 1 ATOM 5021 C CG2 . THR B 1 253 ? -2.667 -42.509 53.851 1.00 23.58 ? 334 THR B CG2 1 ATOM 5022 N N . GLY B 1 254 ? -5.829 -43.537 54.561 1.00 18.37 ? 335 GLY B N 1 ATOM 5023 C CA . GLY B 1 254 ? -6.856 -43.114 55.494 1.00 17.47 ? 335 GLY B CA 1 ATOM 5024 C C . GLY B 1 254 ? -6.551 -41.833 56.246 1.00 17.62 ? 335 GLY B C 1 ATOM 5025 O O . GLY B 1 254 ? -5.413 -41.352 56.265 1.00 18.74 ? 335 GLY B O 1 ATOM 5026 N N . SER B 1 255 ? -7.590 -41.278 56.862 1.00 16.56 ? 336 SER B N 1 ATOM 5027 C CA . SER B 1 255 ? -7.462 -40.120 57.738 1.00 16.84 ? 336 SER B CA 1 ATOM 5028 C C . SER B 1 255 ? -8.606 -40.094 58.745 1.00 17.20 ? 336 SER B C 1 ATOM 5029 O O . SER B 1 255 ? -9.766 -40.291 58.380 1.00 18.22 ? 336 SER B O 1 ATOM 5030 C CB . SER B 1 255 ? -7.469 -38.824 56.927 1.00 18.10 ? 336 SER B CB 1 ATOM 5031 O OG . SER B 1 255 ? -7.413 -37.698 57.787 1.00 18.76 ? 336 SER B OG 1 ATOM 5032 N N . CYS B 1 256 ? -8.275 -39.848 60.010 1.00 18.12 ? 337 CYS B N 1 ATOM 5033 C CA . CYS B 1 256 ? -9.280 -39.730 61.060 1.00 20.50 ? 337 CYS B CA 1 ATOM 5034 C C . CYS B 1 256 ? -9.910 -38.343 61.052 1.00 19.12 ? 337 CYS B C 1 ATOM 5035 O O . CYS B 1 256 ? -10.987 -38.140 61.609 1.00 18.13 ? 337 CYS B O 1 ATOM 5036 C CB . CYS B 1 256 ? -8.654 -39.983 62.440 1.00 23.85 ? 337 CYS B CB 1 ATOM 5037 S SG . CYS B 1 256 ? -7.975 -41.646 62.717 1.00 28.53 ? 337 CYS B SG 1 ATOM 5038 N N . THR B 1 257 ? -9.233 -37.387 60.423 1.00 18.00 ? 338 THR B N 1 ATOM 5039 C CA . THR B 1 257 ? -9.596 -35.982 60.578 1.00 19.15 ? 338 THR B CA 1 ATOM 5040 C C . THR B 1 257 ? -10.011 -35.273 59.293 1.00 18.57 ? 338 THR B C 1 ATOM 5041 O O . THR B 1 257 ? -10.778 -34.312 59.336 1.00 20.17 ? 338 THR B O 1 ATOM 5042 C CB . THR B 1 257 ? -8.443 -35.188 61.216 1.00 20.54 ? 338 THR B CB 1 ATOM 5043 O OG1 . THR B 1 257 ? -7.255 -35.363 60.434 1.00 22.67 ? 338 THR B OG1 1 ATOM 5044 C CG2 . THR B 1 257 ? -8.185 -35.678 62.629 1.00 21.11 ? 338 THR B CG2 1 ATOM 5045 N N . ASN B 1 258 ? -9.503 -35.734 58.156 1.00 17.58 ? 339 ASN B N 1 ATOM 5046 C CA . ASN B 1 258 ? -9.726 -35.025 56.899 1.00 18.38 ? 339 ASN B CA 1 ATOM 5047 C C . ASN B 1 258 ? -10.439 -35.833 55.827 1.00 16.44 ? 339 ASN B C 1 ATOM 5048 O O . ASN B 1 258 ? -10.254 -37.045 55.713 1.00 16.00 ? 339 ASN B O 1 ATOM 5049 C CB . ASN B 1 258 ? -8.403 -34.498 56.340 1.00 21.78 ? 339 ASN B CB 1 ATOM 5050 C CG . ASN B 1 258 ? -7.817 -33.385 57.184 1.00 26.68 ? 339 ASN B CG 1 ATOM 5051 O OD1 . ASN B 1 258 ? -7.988 -32.205 56.881 1.00 30.83 ? 339 ASN B OD1 1 ATOM 5052 N ND2 . ASN B 1 258 ? -7.126 -33.755 58.251 1.00 28.00 ? 339 ASN B ND2 1 ATOM 5053 N N . ALA B 1 259 ? -11.252 -35.145 55.034 1.00 15.51 ? 340 ALA B N 1 ATOM 5054 C CA . ALA B 1 259 ? -11.851 -35.756 53.865 1.00 15.62 ? 340 ALA B CA 1 ATOM 5055 C C . ALA B 1 259 ? -10.737 -36.104 52.893 1.00 15.68 ? 340 ALA B C 1 ATOM 5056 O O . ALA B 1 259 ? -9.865 -35.277 52.610 1.00 16.46 ? 340 ALA B O 1 ATOM 5057 C CB . ALA B 1 259 ? -12.848 -34.807 53.215 1.00 15.58 ? 340 ALA B CB 1 ATOM 5058 N N . VAL B 1 260 ? -10.762 -37.335 52.397 1.00 13.82 ? 341 VAL B N 1 ATOM 5059 C CA . VAL B 1 260 ? -9.820 -37.778 51.381 1.00 15.07 ? 341 VAL B CA 1 ATOM 5060 C C . VAL B 1 260 ? -10.613 -38.073 50.116 1.00 15.46 ? 341 VAL B C 1 ATOM 5061 O O . VAL B 1 260 ? -11.509 -38.915 50.123 1.00 16.16 ? 341 VAL B O 1 ATOM 5062 C CB . VAL B 1 260 ? -9.063 -39.041 51.830 1.00 15.75 ? 341 VAL B CB 1 ATOM 5063 C CG1 . VAL B 1 260 ? -8.133 -39.521 50.733 1.00 16.20 ? 341 VAL B CG1 1 ATOM 5064 C CG2 . VAL B 1 260 ? -8.287 -38.769 53.115 1.00 15.28 ? 341 VAL B CG2 1 ATOM 5065 N N . GLY B 1 261 ? -10.300 -37.366 49.036 1.00 15.44 ? 342 GLY B N 1 ATOM 5066 C CA . GLY B 1 261 ? -11.082 -37.477 47.818 1.00 15.45 ? 342 GLY B CA 1 ATOM 5067 C C . GLY B 1 261 ? -10.258 -37.327 46.558 1.00 16.64 ? 342 GLY B C 1 ATOM 5068 O O . GLY B 1 261 ? -9.156 -37.868 46.457 1.00 18.35 ? 342 GLY B O 1 ATOM 5069 N N . GLY B 1 262 ? -10.795 -36.587 45.594 1.00 16.58 ? 343 GLY B N 1 ATOM 5070 C CA . GLY B 1 262 ? -10.137 -36.419 44.311 1.00 17.59 ? 343 GLY B CA 1 ATOM 5071 C C . GLY B 1 262 ? -10.261 -37.654 43.440 1.00 17.72 ? 343 GLY B C 1 ATOM 5072 O O . GLY B 1 262 ? -11.070 -38.542 43.714 1.00 17.77 ? 343 GLY B O 1 ATOM 5073 N N . SER B 1 263 ? -9.452 -37.709 42.385 1.00 19.43 ? 344 SER B N 1 ATOM 5074 C CA . SER B 1 263 ? -9.442 -38.843 41.467 1.00 21.19 ? 344 SER B CA 1 ATOM 5075 C C . SER B 1 263 ? -10.827 -39.148 40.906 1.00 20.78 ? 344 SER B C 1 ATOM 5076 O O . SER B 1 263 ? -11.177 -40.309 40.689 1.00 21.58 ? 344 SER B O 1 ATOM 5077 C CB . SER B 1 263 ? -8.862 -40.084 42.147 1.00 23.46 ? 344 SER B CB 1 ATOM 5078 O OG . SER B 1 263 ? -7.540 -39.844 42.595 1.00 25.95 ? 344 SER B OG 1 ATOM 5079 N N . GLY B 1 264 ? -11.612 -38.099 40.678 1.00 19.71 ? 345 GLY B N 1 ATOM 5080 C CA . GLY B 1 264 ? -12.919 -38.238 40.062 1.00 19.11 ? 345 GLY B CA 1 ATOM 5081 C C . GLY B 1 264 ? -14.029 -38.666 41.005 1.00 18.56 ? 345 GLY B C 1 ATOM 5082 O O . GLY B 1 264 ? -15.141 -38.956 40.561 1.00 21.36 ? 345 GLY B O 1 ATOM 5083 N N . THR B 1 265 ? -13.743 -38.699 42.304 1.00 16.89 ? 346 THR B N 1 ATOM 5084 C CA . THR B 1 265 ? -14.719 -39.183 43.278 1.00 14.03 ? 346 THR B CA 1 ATOM 5085 C C . THR B 1 265 ? -15.501 -38.068 43.967 1.00 12.67 ? 346 THR B C 1 ATOM 5086 O O . THR B 1 265 ? -16.411 -38.345 44.740 1.00 12.83 ? 346 THR B O 1 ATOM 5087 C CB . THR B 1 265 ? -14.058 -40.036 44.384 1.00 13.96 ? 346 THR B CB 1 ATOM 5088 O OG1 . THR B 1 265 ? -13.253 -39.198 45.223 1.00 14.37 ? 346 THR B OG1 1 ATOM 5089 C CG2 . THR B 1 265 ? -13.199 -41.141 43.780 1.00 15.49 ? 346 THR B CG2 1 ATOM 5090 N N . ASN B 1 266 A -15.150 -36.815 43.695 1.00 12.76 ? 346 ASN B N 1 ATOM 5091 C CA . ASN B 1 266 A -15.793 -35.692 44.378 1.00 12.68 ? 346 ASN B CA 1 ATOM 5092 C C . ASN B 1 266 A -17.248 -35.478 43.966 1.00 12.47 ? 346 ASN B C 1 ATOM 5093 O O . ASN B 1 266 A -17.674 -35.917 42.896 1.00 13.64 ? 346 ASN B O 1 ATOM 5094 C CB . ASN B 1 266 A -15.016 -34.391 44.146 1.00 14.09 ? 346 ASN B CB 1 ATOM 5095 C CG . ASN B 1 266 A -13.633 -34.402 44.773 1.00 15.09 ? 346 ASN B CG 1 ATOM 5096 O OD1 . ASN B 1 266 A -12.759 -33.631 44.370 1.00 18.08 ? 346 ASN B OD1 1 ATOM 5097 N ND2 . ASN B 1 266 A -13.428 -35.262 45.766 1.00 13.80 ? 346 ASN B ND2 1 ATOM 5098 N N . ASN B 1 267 B -17.999 -34.796 44.827 1.00 11.80 ? 346 ASN B N 1 ATOM 5099 C CA . ASN B 1 267 B -19.343 -34.317 44.499 1.00 11.77 ? 346 ASN B CA 1 ATOM 5100 C C . ASN B 1 267 B -20.409 -35.401 44.395 1.00 12.27 ? 346 ASN B C 1 ATOM 5101 O O . ASN B 1 267 B -21.473 -35.185 43.817 1.00 14.25 ? 346 ASN B O 1 ATOM 5102 C CB . ASN B 1 267 B -19.312 -33.475 43.224 1.00 13.23 ? 346 ASN B CB 1 ATOM 5103 C CG . ASN B 1 267 B -18.315 -32.346 43.308 1.00 14.52 ? 346 ASN B CG 1 ATOM 5104 O OD1 . ASN B 1 267 B -18.197 -31.683 44.341 1.00 16.32 ? 346 ASN B OD1 1 ATOM 5105 N ND2 . ASN B 1 267 B -17.581 -32.125 42.227 1.00 15.28 ? 346 ASN B ND2 1 ATOM 5106 N N . TYR B 1 268 ? -20.135 -36.566 44.963 1.00 12.11 ? 347 TYR B N 1 ATOM 5107 C CA . TYR B 1 268 ? -21.149 -37.610 45.002 1.00 12.05 ? 347 TYR B CA 1 ATOM 5108 C C . TYR B 1 268 ? -20.861 -38.563 46.140 1.00 12.09 ? 347 TYR B C 1 ATOM 5109 O O . TYR B 1 268 ? -19.944 -38.340 46.916 1.00 12.62 ? 347 TYR B O 1 ATOM 5110 C CB . TYR B 1 268 ? -21.231 -38.360 43.670 1.00 12.78 ? 347 TYR B CB 1 ATOM 5111 C CG . TYR B 1 268 ? -22.597 -38.961 43.400 1.00 14.46 ? 347 TYR B CG 1 ATOM 5112 C CD1 . TYR B 1 268 ? -23.746 -38.183 43.480 1.00 15.23 ? 347 TYR B CD1 1 ATOM 5113 C CD2 . TYR B 1 268 ? -22.735 -40.297 43.049 1.00 16.46 ? 347 TYR B CD2 1 ATOM 5114 C CE1 . TYR B 1 268 ? -24.997 -38.723 43.230 1.00 17.18 ? 347 TYR B CE1 1 ATOM 5115 C CE2 . TYR B 1 268 ? -23.983 -40.846 42.797 1.00 17.17 ? 347 TYR B CE2 1 ATOM 5116 C CZ . TYR B 1 268 ? -25.109 -40.051 42.886 1.00 17.46 ? 347 TYR B CZ 1 ATOM 5117 O OH . TYR B 1 268 ? -26.352 -40.583 42.632 1.00 18.13 ? 347 TYR B OH 1 ATOM 5118 N N . GLY B 1 269 ? -21.654 -39.618 46.241 1.00 10.78 ? 348 GLY B N 1 ATOM 5119 C CA . GLY B 1 269 ? -21.521 -40.566 47.326 1.00 9.90 ? 348 GLY B CA 1 ATOM 5120 C C . GLY B 1 269 ? -22.749 -41.445 47.338 1.00 9.15 ? 348 GLY B C 1 ATOM 5121 O O . GLY B 1 269 ? -23.580 -41.378 46.430 1.00 10.06 ? 348 GLY B O 1 ATOM 5122 N N . VAL B 1 270 ? -22.861 -42.274 48.367 1.00 9.70 ? 349 VAL B N 1 ATOM 5123 C CA . VAL B 1 270 ? -24.040 -43.098 48.557 1.00 9.80 ? 349 VAL B CA 1 ATOM 5124 C C . VAL B 1 270 ? -24.229 -43.245 50.058 1.00 9.29 ? 349 VAL B C 1 ATOM 5125 O O . VAL B 1 270 ? -23.249 -43.284 50.806 1.00 9.85 ? 349 VAL B O 1 ATOM 5126 C CB . VAL B 1 270 ? -23.892 -44.484 47.867 1.00 9.30 ? 349 VAL B CB 1 ATOM 5127 C CG1 . VAL B 1 270 ? -22.815 -45.320 48.546 1.00 10.69 ? 349 VAL B CG1 1 ATOM 5128 C CG2 . VAL B 1 270 ? -25.221 -45.228 47.853 1.00 10.23 ? 349 VAL B CG2 1 ATOM 5129 N N . LYS B 1 271 ? -25.477 -43.281 50.511 1.00 9.28 ? 350 LYS B N 1 ATOM 5130 C CA . LYS B 1 271 ? -25.732 -43.511 51.924 1.00 9.63 ? 350 LYS B CA 1 ATOM 5131 C C . LYS B 1 271 ? -25.195 -44.880 52.303 1.00 9.04 ? 350 LYS B C 1 ATOM 5132 O O . LYS B 1 271 ? -25.417 -45.858 51.588 1.00 9.96 ? 350 LYS B O 1 ATOM 5133 C CB . LYS B 1 271 ? -27.222 -43.436 52.245 1.00 9.19 ? 350 LYS B CB 1 ATOM 5134 C CG . LYS B 1 271 ? -27.530 -43.725 53.712 1.00 8.64 ? 350 LYS B CG 1 ATOM 5135 C CD . LYS B 1 271 ? -29.024 -43.663 53.994 1.00 9.88 ? 350 LYS B CD 1 ATOM 5136 C CE . LYS B 1 271 ? -29.342 -44.118 55.414 1.00 9.34 ? 350 LYS B CE 1 ATOM 5137 N NZ . LYS B 1 271 ? -28.843 -43.163 56.441 1.00 10.08 ? 350 LYS B NZ 1 ATOM 5138 N N . GLY B 1 272 ? -24.478 -44.945 53.420 1.00 8.72 ? 351 GLY B N 1 ATOM 5139 C CA . GLY B 1 272 ? -23.956 -46.205 53.911 1.00 9.36 ? 351 GLY B CA 1 ATOM 5140 C C . GLY B 1 272 ? -23.886 -46.218 55.423 1.00 9.77 ? 351 GLY B C 1 ATOM 5141 O O . GLY B 1 272 ? -24.442 -45.343 56.085 1.00 10.43 ? 351 GLY B O 1 ATOM 5142 N N . PHE B 1 273 ? -23.192 -47.204 55.977 1.00 9.88 ? 352 PHE B N 1 ATOM 5143 C CA . PHE B 1 273 ? -23.190 -47.383 57.422 1.00 10.14 ? 352 PHE B CA 1 ATOM 5144 C C . PHE B 1 273 ? -21.924 -48.066 57.908 1.00 11.21 ? 352 PHE B C 1 ATOM 5145 O O . PHE B 1 273 ? -21.139 -48.607 57.123 1.00 11.87 ? 352 PHE B O 1 ATOM 5146 C CB . PHE B 1 273 ? -24.380 -48.249 57.841 1.00 10.10 ? 352 PHE B CB 1 ATOM 5147 C CG . PHE B 1 273 ? -24.211 -49.701 57.486 1.00 11.22 ? 352 PHE B CG 1 ATOM 5148 C CD1 . PHE B 1 273 ? -24.580 -50.170 56.237 1.00 11.64 ? 352 PHE B CD1 1 ATOM 5149 C CD2 . PHE B 1 273 ? -23.658 -50.589 58.391 1.00 11.04 ? 352 PHE B CD2 1 ATOM 5150 C CE1 . PHE B 1 273 ? -24.405 -51.500 55.902 1.00 11.43 ? 352 PHE B CE1 1 ATOM 5151 C CE2 . PHE B 1 273 ? -23.482 -51.918 58.063 1.00 12.78 ? 352 PHE B CE2 1 ATOM 5152 C CZ . PHE B 1 273 ? -23.857 -52.376 56.816 1.00 11.70 ? 352 PHE B CZ 1 ATOM 5153 N N . GLY B 1 274 ? -21.750 -48.047 59.222 1.00 10.81 ? 353 GLY B N 1 ATOM 5154 C CA . GLY B 1 274 ? -20.708 -48.809 59.877 1.00 11.52 ? 353 GLY B CA 1 ATOM 5155 C C . GLY B 1 274 ? -21.070 -49.002 61.333 1.00 12.33 ? 353 GLY B C 1 ATOM 5156 O O . GLY B 1 274 ? -21.887 -48.258 61.877 1.00 13.58 ? 353 GLY B O 1 ATOM 5157 N N . PHE B 1 275 ? -20.475 -50.007 61.964 1.00 11.36 ? 354 PHE B N 1 ATOM 5158 C CA . PHE B 1 275 ? -20.694 -50.255 63.385 1.00 11.08 ? 354 PHE B CA 1 ATOM 5159 C C . PHE B 1 275 ? -19.366 -50.350 64.109 1.00 10.70 ? 354 PHE B C 1 ATOM 5160 O O . PHE B 1 275 ? -18.527 -51.181 63.765 1.00 11.66 ? 354 PHE B O 1 ATOM 5161 C CB . PHE B 1 275 ? -21.466 -51.558 63.609 1.00 12.19 ? 354 PHE B CB 1 ATOM 5162 C CG . PHE B 1 275 ? -22.905 -51.496 63.189 1.00 11.66 ? 354 PHE B CG 1 ATOM 5163 C CD1 . PHE B 1 275 ? -23.822 -50.747 63.914 1.00 12.03 ? 354 PHE B CD1 1 ATOM 5164 C CD2 . PHE B 1 275 ? -23.346 -52.194 62.075 1.00 11.94 ? 354 PHE B CD2 1 ATOM 5165 C CE1 . PHE B 1 275 ? -25.152 -50.693 63.535 1.00 13.45 ? 354 PHE B CE1 1 ATOM 5166 C CE2 . PHE B 1 275 ? -24.679 -52.148 61.691 1.00 12.95 ? 354 PHE B CE2 1 ATOM 5167 C CZ . PHE B 1 275 ? -25.581 -51.394 62.420 1.00 13.88 ? 354 PHE B CZ 1 ATOM 5168 N N . ARG B 1 276 ? -19.177 -49.503 65.113 1.00 11.08 ? 355 ARG B N 1 ATOM 5169 C CA . ARG B 1 276 ? -18.002 -49.614 65.959 1.00 10.96 ? 355 ARG B CA 1 ATOM 5170 C C . ARG B 1 276 ? -18.034 -50.954 66.686 1.00 11.77 ? 355 ARG B C 1 ATOM 5171 O O . ARG B 1 276 ? -19.089 -51.413 67.123 1.00 12.03 ? 355 ARG B O 1 ATOM 5172 C CB . ARG B 1 276 ? -17.934 -48.457 66.961 1.00 10.51 ? 355 ARG B CB 1 ATOM 5173 C CG . ARG B 1 276 ? -16.691 -48.486 67.838 1.00 12.66 ? 355 ARG B CG 1 ATOM 5174 C CD . ARG B 1 276 ? -16.566 -47.241 68.703 1.00 13.96 ? 355 ARG B CD 1 ATOM 5175 N NE . ARG B 1 276 ? -17.472 -47.227 69.850 1.00 14.90 ? 355 ARG B NE 1 ATOM 5176 C CZ . ARG B 1 276 ? -17.217 -47.821 71.012 1.00 15.24 ? 355 ARG B CZ 1 ATOM 5177 N NH1 . ARG B 1 276 ? -16.093 -48.508 71.175 1.00 16.64 ? 355 ARG B NH1 1 ATOM 5178 N NH2 . ARG B 1 276 ? -18.090 -47.745 72.008 1.00 15.63 ? 355 ARG B NH2 1 ATOM 5179 N N . GLN B 1 277 ? -16.869 -51.581 66.787 1.00 11.76 ? 356 GLN B N 1 ATOM 5180 C CA . GLN B 1 277 ? -16.705 -52.831 67.516 1.00 11.97 ? 356 GLN B CA 1 ATOM 5181 C C . GLN B 1 277 ? -15.471 -52.680 68.389 1.00 13.63 ? 356 GLN B C 1 ATOM 5182 O O . GLN B 1 277 ? -14.384 -53.130 68.025 1.00 13.81 ? 356 GLN B O 1 ATOM 5183 C CB . GLN B 1 277 ? -16.518 -53.996 66.542 1.00 12.23 ? 356 GLN B CB 1 ATOM 5184 C CG . GLN B 1 277 ? -17.685 -54.219 65.587 1.00 12.66 ? 356 GLN B CG 1 ATOM 5185 C CD . GLN B 1 277 ? -18.818 -55.000 66.218 1.00 12.97 ? 356 GLN B CD 1 ATOM 5186 O OE1 . GLN B 1 277 ? -18.859 -56.226 66.131 1.00 15.16 ? 356 GLN B OE1 1 ATOM 5187 N NE2 . GLN B 1 277 ? -19.747 -54.293 66.856 1.00 13.26 ? 356 GLN B NE2 1 ATOM 5188 N N . GLY B 1 278 ? -15.634 -52.035 69.540 1.00 13.91 ? 357 GLY B N 1 ATOM 5189 C CA . GLY B 1 278 ? -14.491 -51.654 70.344 1.00 15.66 ? 357 GLY B CA 1 ATOM 5190 C C . GLY B 1 278 ? -13.651 -50.658 69.566 1.00 14.83 ? 357 GLY B C 1 ATOM 5191 O O . GLY B 1 278 ? -14.088 -49.536 69.306 1.00 16.24 ? 357 GLY B O 1 ATOM 5192 N N . ASN B 1 279 ? -12.450 -51.073 69.177 1.00 14.95 ? 358 ASN B N 1 ATOM 5193 C CA . ASN B 1 279 ? -11.574 -50.237 68.362 1.00 15.49 ? 358 ASN B CA 1 ATOM 5194 C C . ASN B 1 279 ? -11.698 -50.535 66.872 1.00 14.63 ? 358 ASN B C 1 ATOM 5195 O O . ASN B 1 279 ? -11.224 -49.767 66.035 1.00 14.89 ? 358 ASN B O 1 ATOM 5196 C CB . ASN B 1 279 ? -10.117 -50.394 68.802 1.00 17.92 ? 358 ASN B CB 1 ATOM 5197 C CG . ASN B 1 279 ? -9.853 -49.787 70.162 1.00 20.25 ? 358 ASN B CG 1 ATOM 5198 O OD1 . ASN B 1 279 ? -10.520 -48.836 70.568 1.00 20.40 ? 358 ASN B OD1 1 ATOM 5199 N ND2 . ASN B 1 279 ? -8.876 -50.333 70.875 1.00 22.47 ? 358 ASN B ND2 1 ATOM 5200 N N . SER B 1 280 ? -12.334 -51.656 66.548 1.00 13.76 ? 359 SER B N 1 ATOM 5201 C CA . SER B 1 280 ? -12.534 -52.057 65.159 1.00 14.47 ? 359 SER B CA 1 ATOM 5202 C C . SER B 1 280 ? -13.867 -51.542 64.619 1.00 13.10 ? 359 SER B C 1 ATOM 5203 O O . SER B 1 280 ? -14.614 -50.858 65.322 1.00 13.82 ? 359 SER B O 1 ATOM 5204 C CB . SER B 1 280 ? -12.464 -53.580 65.031 1.00 14.79 ? 359 SER B CB 1 ATOM 5205 O OG . SER B 1 280 ? -11.189 -54.065 65.421 1.00 15.64 ? 359 SER B OG 1 ATOM 5206 N N . VAL B 1 281 ? -14.168 -51.872 63.368 1.00 12.87 ? 360 VAL B N 1 ATOM 5207 C CA . VAL B 1 281 ? -15.397 -51.402 62.743 1.00 12.70 ? 360 VAL B CA 1 ATOM 5208 C C . VAL B 1 281 ? -15.866 -52.360 61.653 1.00 13.18 ? 360 VAL B C 1 ATOM 5209 O O . VAL B 1 281 ? -15.057 -52.856 60.865 1.00 13.49 ? 360 VAL B O 1 ATOM 5210 C CB . VAL B 1 281 ? -15.212 -49.979 62.145 1.00 12.85 ? 360 VAL B CB 1 ATOM 5211 C CG1 . VAL B 1 281 ? -14.126 -49.975 61.069 1.00 13.87 ? 360 VAL B CG1 1 ATOM 5212 C CG2 . VAL B 1 281 ? -16.531 -49.441 61.593 1.00 13.89 ? 360 VAL B CG2 1 ATOM 5213 N N . TRP B 1 282 ? -17.166 -52.648 61.637 1.00 12.62 ? 361 TRP B N 1 ATOM 5214 C CA . TRP B 1 282 ? -17.805 -53.283 60.487 1.00 11.86 ? 361 TRP B CA 1 ATOM 5215 C C . TRP B 1 282 ? -18.272 -52.157 59.580 1.00 11.91 ? 361 TRP B C 1 ATOM 5216 O O . TRP B 1 282 ? -18.996 -51.267 60.021 1.00 14.28 ? 361 TRP B O 1 ATOM 5217 C CB . TRP B 1 282 ? -19.041 -54.088 60.902 1.00 12.92 ? 361 TRP B CB 1 ATOM 5218 C CG . TRP B 1 282 ? -18.805 -55.478 61.417 1.00 13.41 ? 361 TRP B CG 1 ATOM 5219 C CD1 . TRP B 1 282 ? -18.889 -55.893 62.716 1.00 13.44 ? 361 TRP B CD1 1 ATOM 5220 C CD2 . TRP B 1 282 ? -18.498 -56.647 60.643 1.00 14.29 ? 361 TRP B CD2 1 ATOM 5221 N NE1 . TRP B 1 282 ? -18.640 -57.240 62.799 1.00 14.29 ? 361 TRP B NE1 1 ATOM 5222 C CE2 . TRP B 1 282 ? -18.394 -57.727 61.543 1.00 14.11 ? 361 TRP B CE2 1 ATOM 5223 C CE3 . TRP B 1 282 ? -18.294 -56.883 59.278 1.00 15.90 ? 361 TRP B CE3 1 ATOM 5224 C CZ2 . TRP B 1 282 ? -18.095 -59.024 61.125 1.00 15.11 ? 361 TRP B CZ2 1 ATOM 5225 C CZ3 . TRP B 1 282 ? -17.996 -58.172 58.863 1.00 14.53 ? 361 TRP B CZ3 1 ATOM 5226 C CH2 . TRP B 1 282 ? -17.900 -59.227 59.786 1.00 14.84 ? 361 TRP B CH2 1 ATOM 5227 N N . ALA B 1 283 ? -17.861 -52.182 58.320 1.00 11.86 ? 362 ALA B N 1 ATOM 5228 C CA . ALA B 1 283 ? -18.275 -51.149 57.380 1.00 12.45 ? 362 ALA B CA 1 ATOM 5229 C C . ALA B 1 283 ? -18.803 -51.762 56.096 1.00 12.19 ? 362 ALA B C 1 ATOM 5230 O O . ALA B 1 283 ? -18.187 -52.658 55.527 1.00 13.13 ? 362 ALA B O 1 ATOM 5231 C CB . ALA B 1 283 ? -17.122 -50.203 57.076 1.00 13.30 ? 362 ALA B CB 1 ATOM 5232 N N . GLY B 1 284 ? -19.947 -51.272 55.638 1.00 11.90 ? 363 GLY B N 1 ATOM 5233 C CA . GLY B 1 284 ? -20.499 -51.728 54.379 1.00 12.03 ? 363 GLY B CA 1 ATOM 5234 C C . GLY B 1 284 ? -19.996 -50.910 53.206 1.00 11.95 ? 363 GLY B C 1 ATOM 5235 O O . GLY B 1 284 ? -19.596 -49.752 53.356 1.00 13.45 ? 363 GLY B O 1 ATOM 5236 N N . ARG B 1 285 ? -20.004 -51.518 52.027 1.00 11.89 ? 364 ARG B N 1 ATOM 5237 C CA . ARG B 1 285 ? -19.721 -50.781 50.804 1.00 11.41 ? 364 ARG B CA 1 ATOM 5238 C C . ARG B 1 285 ? -20.180 -51.546 49.575 1.00 11.00 ? 364 ARG B C 1 ATOM 5239 O O . ARG B 1 285 ? -20.325 -52.769 49.608 1.00 11.73 ? 364 ARG B O 1 ATOM 5240 C CB . ARG B 1 285 ? -18.232 -50.440 50.693 1.00 11.73 ? 364 ARG B CB 1 ATOM 5241 C CG . ARG B 1 285 ? -17.307 -51.629 50.447 1.00 12.33 ? 364 ARG B CG 1 ATOM 5242 C CD . ARG B 1 285 ? -15.865 -51.163 50.444 1.00 12.92 ? 364 ARG B CD 1 ATOM 5243 N NE . ARG B 1 285 ? -14.914 -52.221 50.117 1.00 13.10 ? 364 ARG B NE 1 ATOM 5244 C CZ . ARG B 1 285 ? -13.616 -52.007 49.932 1.00 14.61 ? 364 ARG B CZ 1 ATOM 5245 N NH1 . ARG B 1 285 ? -13.134 -50.775 50.040 1.00 14.17 ? 364 ARG B NH1 1 ATOM 5246 N NH2 . ARG B 1 285 ? -12.803 -53.013 49.638 1.00 16.81 ? 364 ARG B NH2 1 ATOM 5247 N N . THR B 1 286 ? -20.428 -50.818 48.493 1.00 10.93 ? 365 THR B N 1 ATOM 5248 C CA . THR B 1 286 ? -20.700 -51.455 47.216 1.00 10.66 ? 365 THR B CA 1 ATOM 5249 C C . THR B 1 286 ? -19.447 -52.221 46.812 1.00 12.39 ? 365 THR B C 1 ATOM 5250 O O . THR B 1 286 ? -18.342 -51.868 47.220 1.00 13.03 ? 365 THR B O 1 ATOM 5251 C CB . THR B 1 286 ? -21.040 -50.419 46.136 1.00 11.65 ? 365 THR B CB 1 ATOM 5252 O OG1 . THR B 1 286 ? -19.910 -49.565 45.919 1.00 12.35 ? 365 THR B OG1 1 ATOM 5253 C CG2 . THR B 1 286 ? -22.223 -49.570 46.572 1.00 12.07 ? 365 THR B CG2 1 ATOM 5254 N N . VAL B 1 287 ? -19.610 -53.278 46.026 1.00 12.67 ? 366 VAL B N 1 ATOM 5255 C CA . VAL B 1 287 ? -18.443 -54.011 45.550 1.00 12.97 ? 366 VAL B CA 1 ATOM 5256 C C . VAL B 1 287 ? -17.687 -53.176 44.516 1.00 13.60 ? 366 VAL B C 1 ATOM 5257 O O . VAL B 1 287 ? -16.462 -53.084 44.561 1.00 16.13 ? 366 VAL B O 1 ATOM 5258 C CB . VAL B 1 287 ? -18.821 -55.389 44.979 1.00 13.10 ? 366 VAL B CB 1 ATOM 5259 C CG1 . VAL B 1 287 ? -17.639 -56.007 44.253 1.00 14.65 ? 366 VAL B CG1 1 ATOM 5260 C CG2 . VAL B 1 287 ? -19.307 -56.308 46.101 1.00 13.48 ? 366 VAL B CG2 1 ATOM 5261 N N . SER B 1 288 ? -18.426 -52.552 43.603 1.00 14.19 ? 367 SER B N 1 ATOM 5262 C CA . SER B 1 288 ? -17.836 -51.651 42.616 1.00 14.28 ? 367 SER B CA 1 ATOM 5263 C C . SER B 1 288 ? -17.336 -50.374 43.277 1.00 14.32 ? 367 SER B C 1 ATOM 5264 O O . SER B 1 288 ? -17.962 -49.863 44.203 1.00 14.70 ? 367 SER B O 1 ATOM 5265 C CB . SER B 1 288 ? -18.857 -51.290 41.537 1.00 15.25 ? 367 SER B CB 1 ATOM 5266 O OG . SER B 1 288 ? -18.366 -50.253 40.701 1.00 15.31 ? 367 SER B OG 1 ATOM 5267 N N . ILE B 1 289 ? -16.211 -49.855 42.800 1.00 14.60 ? 368 ILE B N 1 ATOM 5268 C CA . ILE B 1 289 ? -15.702 -48.592 43.319 1.00 15.82 ? 368 ILE B CA 1 ATOM 5269 C C . ILE B 1 289 ? -16.382 -47.387 42.669 1.00 15.94 ? 368 ILE B C 1 ATOM 5270 O O . ILE B 1 289 ? -16.303 -46.275 43.184 1.00 16.92 ? 368 ILE B O 1 ATOM 5271 C CB . ILE B 1 289 ? -14.170 -48.465 43.154 1.00 15.80 ? 368 ILE B CB 1 ATOM 5272 C CG1 . ILE B 1 289 ? -13.781 -48.409 41.675 1.00 16.95 ? 368 ILE B CG1 1 ATOM 5273 C CG2 . ILE B 1 289 ? -13.454 -49.606 43.867 1.00 15.76 ? 368 ILE B CG2 1 ATOM 5274 C CD1 . ILE B 1 289 ? -12.305 -48.159 41.453 1.00 17.74 ? 368 ILE B CD1 1 ATOM 5275 N N . SER B 1 290 ? -17.065 -47.610 41.550 1.00 16.60 ? 369 SER B N 1 ATOM 5276 C CA . SER B 1 290 ? -17.618 -46.501 40.777 1.00 18.71 ? 369 SER B CA 1 ATOM 5277 C C . SER B 1 290 ? -19.141 -46.516 40.665 1.00 19.94 ? 369 SER B C 1 ATOM 5278 O O . SER B 1 290 ? -19.764 -45.472 40.466 1.00 22.81 ? 369 SER B O 1 ATOM 5279 C CB . SER B 1 290 ? -16.996 -46.466 39.377 1.00 20.75 ? 369 SER B CB 1 ATOM 5280 O OG . SER B 1 290 ? -17.260 -47.668 38.671 1.00 23.33 ? 369 SER B OG 1 ATOM 5281 N N . SER B 1 291 ? -19.737 -47.697 40.786 1.00 17.41 ? 370 SER B N 1 ATOM 5282 C CA . SER B 1 291 ? -21.168 -47.844 40.574 1.00 17.43 ? 370 SER B CA 1 ATOM 5283 C C . SER B 1 291 ? -21.842 -48.430 41.798 1.00 14.83 ? 370 SER B C 1 ATOM 5284 O O . SER B 1 291 ? -21.198 -49.069 42.630 1.00 15.32 ? 370 SER B O 1 ATOM 5285 C CB . SER B 1 291 ? -21.437 -48.751 39.372 1.00 18.37 ? 370 SER B CB 1 ATOM 5286 O OG . SER B 1 291 ? -20.778 -48.269 38.215 1.00 25.03 ? 370 SER B OG 1 ATOM 5287 N N . ARG B 1 292 ? -23.149 -48.220 41.898 1.00 12.73 ? 371 ARG B N 1 ATOM 5288 C CA . ARG B 1 292 ? -23.926 -48.814 42.974 1.00 12.23 ? 371 ARG B CA 1 ATOM 5289 C C . ARG B 1 292 ? -24.279 -50.252 42.605 1.00 12.88 ? 371 ARG B C 1 ATOM 5290 O O . ARG B 1 292 ? -25.433 -50.580 42.310 1.00 12.57 ? 371 ARG B O 1 ATOM 5291 C CB . ARG B 1 292 ? -25.156 -47.960 43.279 1.00 12.51 ? 371 ARG B CB 1 ATOM 5292 C CG . ARG B 1 292 ? -24.773 -46.582 43.809 1.00 12.55 ? 371 ARG B CG 1 ATOM 5293 C CD . ARG B 1 292 ? -25.944 -45.622 43.812 1.00 11.74 ? 371 ARG B CD 1 ATOM 5294 N NE . ARG B 1 292 ? -25.593 -44.358 44.452 1.00 11.68 ? 371 ARG B NE 1 ATOM 5295 C CZ . ARG B 1 292 ? -26.476 -43.424 44.788 1.00 12.24 ? 371 ARG B CZ 1 ATOM 5296 N NH1 . ARG B 1 292 ? -27.764 -43.610 44.537 1.00 13.06 ? 371 ARG B NH1 1 ATOM 5297 N NH2 . ARG B 1 292 ? -26.073 -42.312 45.384 1.00 13.27 ? 371 ARG B NH2 1 ATOM 5298 N N A SER B 1 293 ? -23.260 -51.104 42.629 0.37 12.98 ? 372 SER B N 1 ATOM 5299 N N B SER B 1 293 ? -23.262 -51.106 42.602 0.63 12.87 ? 372 SER B N 1 ATOM 5300 C CA A SER B 1 293 ? -23.408 -52.510 42.283 0.37 12.98 ? 372 SER B CA 1 ATOM 5301 C CA B SER B 1 293 ? -23.447 -52.517 42.292 0.63 12.45 ? 372 SER B CA 1 ATOM 5302 C C A SER B 1 293 ? -22.723 -53.379 43.333 0.37 12.60 ? 372 SER B C 1 ATOM 5303 C C B SER B 1 293 ? -22.727 -53.384 43.318 0.63 12.53 ? 372 SER B C 1 ATOM 5304 O O A SER B 1 293 ? -21.640 -53.045 43.817 0.37 11.94 ? 372 SER B O 1 ATOM 5305 O O B SER B 1 293 ? -21.629 -53.050 43.772 0.63 11.90 ? 372 SER B O 1 ATOM 5306 C CB A SER B 1 293 ? -22.813 -52.778 40.898 0.37 14.78 ? 372 SER B CB 1 ATOM 5307 C CB B SER B 1 293 ? -22.967 -52.833 40.870 0.63 15.06 ? 372 SER B CB 1 ATOM 5308 O OG A SER B 1 293 ? -22.980 -54.132 40.522 0.37 15.77 ? 372 SER B OG 1 ATOM 5309 O OG B SER B 1 293 ? -21.608 -52.480 40.694 0.63 16.42 ? 372 SER B OG 1 ATOM 5310 N N . GLY B 1 294 ? -23.364 -54.489 43.691 1.00 12.29 ? 373 GLY B N 1 ATOM 5311 C CA . GLY B 1 294 ? -22.830 -55.384 44.702 1.00 10.63 ? 373 GLY B CA 1 ATOM 5312 C C . GLY B 1 294 ? -22.903 -54.796 46.100 1.00 10.87 ? 373 GLY B C 1 ATOM 5313 O O . GLY B 1 294 ? -23.151 -53.603 46.276 1.00 11.16 ? 373 GLY B O 1 ATOM 5314 N N . PHE B 1 295 ? -22.707 -55.639 47.105 1.00 9.99 ? 374 PHE B N 1 ATOM 5315 C CA . PHE B 1 295 ? -22.590 -55.153 48.471 1.00 10.43 ? 374 PHE B CA 1 ATOM 5316 C C . PHE B 1 295 ? -21.828 -56.138 49.342 1.00 10.71 ? 374 PHE B C 1 ATOM 5317 O O . PHE B 1 295 ? -22.083 -57.344 49.315 1.00 10.99 ? 374 PHE B O 1 ATOM 5318 C CB . PHE B 1 295 ? -23.957 -54.842 49.092 1.00 10.08 ? 374 PHE B CB 1 ATOM 5319 C CG . PHE B 1 295 ? -23.876 -53.896 50.256 1.00 10.48 ? 374 PHE B CG 1 ATOM 5320 C CD1 . PHE B 1 295 ? -23.654 -52.545 50.043 1.00 11.17 ? 374 PHE B CD1 1 ATOM 5321 C CD2 . PHE B 1 295 ? -23.992 -54.356 51.558 1.00 10.66 ? 374 PHE B CD2 1 ATOM 5322 C CE1 . PHE B 1 295 ? -23.560 -51.662 51.106 1.00 10.88 ? 374 PHE B CE1 1 ATOM 5323 C CE2 . PHE B 1 295 ? -23.901 -53.479 52.635 1.00 11.15 ? 374 PHE B CE2 1 ATOM 5324 C CZ . PHE B 1 295 ? -23.686 -52.128 52.407 1.00 11.33 ? 374 PHE B CZ 1 ATOM 5325 N N . GLU B 1 296 ? -20.890 -55.603 50.114 1.00 11.68 ? 375 GLU B N 1 ATOM 5326 C CA . GLU B 1 296 ? -20.082 -56.402 51.017 1.00 12.18 ? 375 GLU B CA 1 ATOM 5327 C C . GLU B 1 296 ? -19.928 -55.650 52.331 1.00 12.87 ? 375 GLU B C 1 ATOM 5328 O O . GLU B 1 296 ? -20.084 -54.427 52.379 1.00 12.85 ? 375 GLU B O 1 ATOM 5329 C CB . GLU B 1 296 ? -18.707 -56.678 50.401 1.00 14.14 ? 375 GLU B CB 1 ATOM 5330 C CG . GLU B 1 296 ? -17.930 -55.417 50.048 1.00 16.49 ? 375 GLU B CG 1 ATOM 5331 C CD . GLU B 1 296 ? -16.630 -55.705 49.318 1.00 19.27 ? 375 GLU B CD 1 ATOM 5332 O OE1 . GLU B 1 296 ? -16.500 -56.795 48.726 1.00 22.12 ? 375 GLU B OE1 1 ATOM 5333 O OE2 . GLU B 1 296 ? -15.735 -54.834 49.329 1.00 19.98 ? 375 GLU B OE2 1 ATOM 5334 N N . ILE B 1 297 ? -19.636 -56.381 53.399 1.00 12.73 ? 376 ILE B N 1 ATOM 5335 C CA . ILE B 1 297 ? -19.382 -55.756 54.689 1.00 11.95 ? 376 ILE B CA 1 ATOM 5336 C C . ILE B 1 297 ? -18.045 -56.254 55.217 1.00 12.90 ? 376 ILE B C 1 ATOM 5337 O O . ILE B 1 297 ? -17.759 -57.454 55.182 1.00 14.41 ? 376 ILE B O 1 ATOM 5338 C CB . ILE B 1 297 ? -20.505 -56.038 55.711 1.00 13.68 ? 376 ILE B CB 1 ATOM 5339 C CG1 . ILE B 1 297 ? -21.882 -55.879 55.062 1.00 16.23 ? 376 ILE B CG1 1 ATOM 5340 C CG2 . ILE B 1 297 ? -20.383 -55.105 56.909 1.00 14.62 ? 376 ILE B CG2 1 ATOM 5341 C CD1 . ILE B 1 297 ? -22.407 -57.144 54.399 1.00 18.60 ? 376 ILE B CD1 1 ATOM 5342 N N . LEU B 1 298 ? -17.226 -55.322 55.688 1.00 12.35 ? 377 LEU B N 1 ATOM 5343 C CA . LEU B 1 298 ? -15.851 -55.615 56.073 1.00 12.68 ? 377 LEU B CA 1 ATOM 5344 C C . LEU B 1 298 ? -15.631 -55.334 57.548 1.00 13.04 ? 377 LEU B C 1 ATOM 5345 O O . LEU B 1 298 ? -16.055 -54.296 58.056 1.00 14.28 ? 377 LEU B O 1 ATOM 5346 C CB . LEU B 1 298 ? -14.881 -54.747 55.267 1.00 15.09 ? 377 LEU B CB 1 ATOM 5347 C CG . LEU B 1 298 ? -14.703 -54.968 53.764 1.00 18.98 ? 377 LEU B CG 1 ATOM 5348 C CD1 . LEU B 1 298 ? -16.006 -54.807 53.009 1.00 22.86 ? 377 LEU B CD1 1 ATOM 5349 C CD2 . LEU B 1 298 ? -13.667 -53.991 53.238 1.00 20.49 ? 377 LEU B CD2 1 ATOM 5350 N N . LEU B 1 299 ? -14.973 -56.262 58.235 1.00 12.98 ? 378 LEU B N 1 ATOM 5351 C CA . LEU B 1 299 ? -14.518 -56.018 59.596 1.00 13.41 ? 378 LEU B CA 1 ATOM 5352 C C . LEU B 1 299 ? -13.069 -55.560 59.521 1.00 14.35 ? 378 LEU B C 1 ATOM 5353 O O . LEU B 1 299 ? -12.181 -56.334 59.160 1.00 15.56 ? 378 LEU B O 1 ATOM 5354 C CB . LEU B 1 299 ? -14.639 -57.282 60.454 1.00 14.14 ? 378 LEU B CB 1 ATOM 5355 C CG . LEU B 1 299 ? -14.219 -57.139 61.921 1.00 14.85 ? 378 LEU B CG 1 ATOM 5356 C CD1 . LEU B 1 299 ? -14.984 -56.004 62.596 1.00 15.78 ? 378 LEU B CD1 1 ATOM 5357 C CD2 . LEU B 1 299 ? -14.411 -58.448 62.679 1.00 15.44 ? 378 LEU B CD2 1 ATOM 5358 N N . ILE B 1 300 ? -12.838 -54.292 59.842 1.00 14.10 ? 379 ILE B N 1 ATOM 5359 C CA . ILE B 1 300 ? -11.508 -53.705 59.737 1.00 14.44 ? 379 ILE B CA 1 ATOM 5360 C C . ILE B 1 300 ? -10.880 -53.564 61.115 1.00 15.31 ? 379 ILE B C 1 ATOM 5361 O O . ILE B 1 300 ? -11.389 -52.840 61.975 1.00 15.50 ? 379 ILE B O 1 ATOM 5362 C CB . ILE B 1 300 ? -11.553 -52.330 59.045 1.00 14.18 ? 379 ILE B CB 1 ATOM 5363 C CG1 . ILE B 1 300 ? -12.292 -52.438 57.710 1.00 15.62 ? 379 ILE B CG1 1 ATOM 5364 C CG2 . ILE B 1 300 ? -10.143 -51.795 58.833 1.00 16.12 ? 379 ILE B CG2 1 ATOM 5365 C CD1 . ILE B 1 300 ? -12.631 -51.105 57.088 1.00 16.79 ? 379 ILE B CD1 1 ATOM 5366 N N . GLU B 1 301 ? -9.774 -54.271 61.317 1.00 16.48 ? 380 GLU B N 1 ATOM 5367 C CA . GLU B 1 301 ? -9.098 -54.295 62.608 1.00 18.12 ? 380 GLU B CA 1 ATOM 5368 C C . GLU B 1 301 ? -8.608 -52.909 63.017 1.00 18.07 ? 380 GLU B C 1 ATOM 5369 O O . GLU B 1 301 ? -7.818 -52.287 62.307 1.00 17.07 ? 380 GLU B O 1 ATOM 5370 C CB . GLU B 1 301 ? -7.930 -55.278 62.566 1.00 20.51 ? 380 GLU B CB 1 ATOM 5371 C CG . GLU B 1 301 ? -7.296 -55.546 63.912 1.00 24.87 ? 380 GLU B CG 1 ATOM 5372 C CD . GLU B 1 301 ? -6.299 -56.683 63.854 1.00 30.03 ? 380 GLU B CD 1 ATOM 5373 O OE1 . GLU B 1 301 ? -5.233 -56.508 63.229 1.00 31.73 ? 380 GLU B OE1 1 ATOM 5374 O OE2 . GLU B 1 301 ? -6.586 -57.754 64.426 1.00 33.20 ? 380 GLU B OE2 1 ATOM 5375 N N . ASP B 1 302 ? -9.089 -52.436 64.164 1.00 16.51 ? 381 ASP B N 1 ATOM 5376 C CA . ASP B 1 302 ? -8.728 -51.121 64.692 1.00 17.53 ? 381 ASP B CA 1 ATOM 5377 C C . ASP B 1 302 ? -9.122 -49.980 63.755 1.00 16.43 ? 381 ASP B C 1 ATOM 5378 O O . ASP B 1 302 ? -8.605 -48.870 63.869 1.00 17.94 ? 381 ASP B O 1 ATOM 5379 C CB . ASP B 1 302 ? -7.231 -51.050 65.010 1.00 19.35 ? 381 ASP B CB 1 ATOM 5380 C CG . ASP B 1 302 ? -6.835 -51.942 66.170 1.00 23.42 ? 381 ASP B CG 1 ATOM 5381 O OD1 . ASP B 1 302 ? -7.704 -52.267 67.008 1.00 24.98 ? 381 ASP B OD1 1 ATOM 5382 O OD2 . ASP B 1 302 ? -5.647 -52.316 66.247 1.00 25.73 ? 381 ASP B OD2 1 ATOM 5383 N N . GLY B 1 303 ? -10.049 -50.254 62.842 1.00 14.80 ? 382 GLY B N 1 ATOM 5384 C CA . GLY B 1 303 ? -10.452 -49.283 61.839 1.00 14.15 ? 382 GLY B CA 1 ATOM 5385 C C . GLY B 1 303 ? -11.194 -48.062 62.358 1.00 15.75 ? 382 GLY B C 1 ATOM 5386 O O . GLY B 1 303 ? -11.363 -47.086 61.631 1.00 15.94 ? 382 GLY B O 1 ATOM 5387 N N . TRP B 1 304 ? -11.649 -48.111 63.606 1.00 15.48 ? 383 TRP B N 1 ATOM 5388 C CA . TRP B 1 304 ? -12.335 -46.966 64.199 1.00 15.62 ? 383 TRP B CA 1 ATOM 5389 C C . TRP B 1 304 ? -11.341 -45.949 64.754 1.00 16.52 ? 383 TRP B C 1 ATOM 5390 O O . TRP B 1 304 ? -11.675 -44.777 64.913 1.00 19.26 ? 383 TRP B O 1 ATOM 5391 C CB . TRP B 1 304 ? -13.295 -47.421 65.305 1.00 14.96 ? 383 TRP B CB 1 ATOM 5392 C CG . TRP B 1 304 ? -14.298 -46.378 65.742 1.00 15.95 ? 383 TRP B CG 1 ATOM 5393 C CD1 . TRP B 1 304 ? -14.158 -45.479 66.764 1.00 15.51 ? 383 TRP B CD1 1 ATOM 5394 C CD2 . TRP B 1 304 ? -15.597 -46.143 65.179 1.00 15.27 ? 383 TRP B CD2 1 ATOM 5395 N NE1 . TRP B 1 304 ? -15.287 -44.700 66.867 1.00 16.49 ? 383 TRP B NE1 1 ATOM 5396 C CE2 . TRP B 1 304 ? -16.185 -45.089 65.908 1.00 15.44 ? 383 TRP B CE2 1 ATOM 5397 C CE3 . TRP B 1 304 ? -16.322 -46.725 64.132 1.00 14.72 ? 383 TRP B CE3 1 ATOM 5398 C CZ2 . TRP B 1 304 ? -17.462 -44.601 65.620 1.00 15.14 ? 383 TRP B CZ2 1 ATOM 5399 C CZ3 . TRP B 1 304 ? -17.589 -46.239 63.848 1.00 15.14 ? 383 TRP B CZ3 1 ATOM 5400 C CH2 . TRP B 1 304 ? -18.145 -45.188 64.589 1.00 14.66 ? 383 TRP B CH2 1 ATOM 5401 N N . ILE B 1 305 ? -10.117 -46.392 65.038 1.00 16.89 ? 384 ILE B N 1 ATOM 5402 C CA . ILE B 1 305 ? -9.163 -45.538 65.749 1.00 18.24 ? 384 ILE B CA 1 ATOM 5403 C C . ILE B 1 305 ? -7.866 -45.239 64.995 1.00 19.43 ? 384 ILE B C 1 ATOM 5404 O O . ILE B 1 305 ? -7.142 -44.308 65.353 1.00 20.01 ? 384 ILE B O 1 ATOM 5405 C CB . ILE B 1 305 ? -8.808 -46.107 67.143 1.00 19.78 ? 384 ILE B CB 1 ATOM 5406 C CG1 . ILE B 1 305 ? -8.023 -47.413 67.006 1.00 20.34 ? 384 ILE B CG1 1 ATOM 5407 C CG2 . ILE B 1 305 ? -10.066 -46.306 67.979 1.00 21.39 ? 384 ILE B CG2 1 ATOM 5408 C CD1 . ILE B 1 305 ? -7.473 -47.928 68.318 1.00 21.23 ? 384 ILE B CD1 1 ATOM 5409 N N . ARG B 1 306 ? -7.559 -46.026 63.970 1.00 19.36 ? 385 ARG B N 1 ATOM 5410 C CA . ARG B 1 306 ? -6.368 -45.763 63.168 1.00 19.00 ? 385 ARG B CA 1 ATOM 5411 C C . ARG B 1 306 ? -6.568 -46.124 61.699 1.00 18.92 ? 385 ARG B C 1 ATOM 5412 O O . ARG B 1 306 ? -7.537 -46.790 61.340 1.00 18.11 ? 385 ARG B O 1 ATOM 5413 C CB . ARG B 1 306 ? -5.141 -46.479 63.737 1.00 21.58 ? 385 ARG B CB 1 ATOM 5414 C CG . ARG B 1 306 ? -5.207 -47.988 63.679 1.00 23.85 ? 385 ARG B CG 1 ATOM 5415 C CD . ARG B 1 306 ? -3.909 -48.607 64.181 1.00 27.64 ? 385 ARG B CD 1 ATOM 5416 N NE . ARG B 1 306 ? -4.000 -50.061 64.251 1.00 30.55 ? 385 ARG B NE 1 ATOM 5417 C CZ . ARG B 1 306 ? -3.726 -50.878 63.239 1.00 31.64 ? 385 ARG B CZ 1 ATOM 5418 N NH1 . ARG B 1 306 ? -3.335 -50.386 62.071 1.00 31.79 ? 385 ARG B NH1 1 ATOM 5419 N NH2 . ARG B 1 306 ? -3.841 -52.189 63.398 1.00 32.35 ? 385 ARG B NH2 1 ATOM 5420 N N . THR B 1 307 ? -5.643 -45.673 60.859 1.00 18.19 ? 387 THR B N 1 ATOM 5421 C CA . THR B 1 307 ? -5.767 -45.828 59.413 1.00 18.54 ? 387 THR B CA 1 ATOM 5422 C C . THR B 1 307 ? -5.433 -47.242 58.944 1.00 18.99 ? 387 THR B C 1 ATOM 5423 O O . THR B 1 307 ? -4.696 -47.434 57.973 1.00 20.91 ? 387 THR B O 1 ATOM 5424 C CB . THR B 1 307 ? -4.880 -44.815 58.674 1.00 19.68 ? 387 THR B CB 1 ATOM 5425 O OG1 . THR B 1 307 ? -3.525 -44.961 59.113 1.00 20.31 ? 387 THR B OG1 1 ATOM 5426 C CG2 . THR B 1 307 ? -5.350 -43.395 58.961 1.00 19.63 ? 387 THR B CG2 1 ATOM 5427 N N . SER B 1 308 ? -6.003 -48.226 59.628 1.00 18.21 ? 388 SER B N 1 ATOM 5428 C CA . SER B 1 308 ? -5.723 -49.628 59.354 1.00 18.44 ? 388 SER B CA 1 ATOM 5429 C C . SER B 1 308 ? -6.217 -50.080 57.985 1.00 18.39 ? 388 SER B C 1 ATOM 5430 O O . SER B 1 308 ? -7.258 -49.632 57.507 1.00 19.22 ? 388 SER B O 1 ATOM 5431 C CB . SER B 1 308 ? -6.355 -50.504 60.434 1.00 18.96 ? 388 SER B CB 1 ATOM 5432 O OG . SER B 1 308 ? -6.228 -51.875 60.106 1.00 20.82 ? 388 SER B OG 1 ATOM 5433 N N . LYS B 1 309 ? -5.464 -50.980 57.363 1.00 18.26 ? 389 LYS B N 1 ATOM 5434 C CA . LYS B 1 309 ? -5.886 -51.599 56.113 1.00 18.64 ? 389 LYS B CA 1 ATOM 5435 C C . LYS B 1 309 ? -6.119 -53.089 56.325 1.00 20.06 ? 389 LYS B C 1 ATOM 5436 O O . LYS B 1 309 ? -6.284 -53.848 55.370 1.00 22.79 ? 389 LYS B O 1 ATOM 5437 C CB . LYS B 1 309 ? -4.840 -51.377 55.021 1.00 19.33 ? 389 LYS B CB 1 ATOM 5438 C CG . LYS B 1 309 ? -4.779 -49.951 54.503 1.00 21.09 ? 389 LYS B CG 1 ATOM 5439 C CD . LYS B 1 309 ? -3.679 -49.794 53.463 1.00 22.31 ? 389 LYS B CD 1 ATOM 5440 C CE . LYS B 1 309 ? -3.817 -48.484 52.702 1.00 22.77 ? 389 LYS B CE 1 ATOM 5441 N NZ . LYS B 1 309 ? -5.054 -48.462 51.879 1.00 22.43 ? 389 LYS B NZ 1 ATOM 5442 N N . THR B 1 310 ? -6.139 -53.502 57.587 1.00 19.82 ? 390 THR B N 1 ATOM 5443 C CA . THR B 1 310 ? -6.260 -54.913 57.926 1.00 19.51 ? 390 THR B CA 1 ATOM 5444 C C . THR B 1 310 ? -7.712 -55.366 57.973 1.00 19.15 ? 390 THR B C 1 ATOM 5445 O O . THR B 1 310 ? -8.448 -55.037 58.902 1.00 19.58 ? 390 THR B O 1 ATOM 5446 C CB . THR B 1 310 ? -5.591 -55.221 59.270 1.00 21.60 ? 390 THR B CB 1 ATOM 5447 O OG1 . THR B 1 310 ? -4.227 -54.786 59.229 1.00 23.66 ? 390 THR B OG1 1 ATOM 5448 C CG2 . THR B 1 310 ? -5.637 -56.715 59.560 1.00 22.41 ? 390 THR B CG2 1 ATOM 5449 N N . ILE B 1 311 ? -8.115 -56.122 56.959 1.00 18.90 ? 391 ILE B N 1 ATOM 5450 C CA . ILE B 1 311 ? -9.466 -56.659 56.891 1.00 19.96 ? 391 ILE B CA 1 ATOM 5451 C C . ILE B 1 311 ? -9.471 -58.084 57.418 1.00 21.32 ? 391 ILE B C 1 ATOM 5452 O O . ILE B 1 311 ? -8.908 -58.985 56.797 1.00 23.28 ? 391 ILE B O 1 ATOM 5453 C CB . ILE B 1 311 ? -9.994 -56.644 55.449 1.00 20.31 ? 391 ILE B CB 1 ATOM 5454 C CG1 . ILE B 1 311 ? -10.024 -55.210 54.913 1.00 21.55 ? 391 ILE B CG1 1 ATOM 5455 C CG2 . ILE B 1 311 ? -11.375 -57.279 55.380 1.00 20.76 ? 391 ILE B CG2 1 ATOM 5456 C CD1 . ILE B 1 311 ? -10.245 -55.119 53.420 1.00 22.72 ? 391 ILE B CD1 1 ATOM 5457 N N . VAL B 1 312 ? -10.101 -58.290 58.569 1.00 20.35 ? 392 VAL B N 1 ATOM 5458 C CA . VAL B 1 312 ? -10.055 -59.597 59.215 1.00 20.69 ? 392 VAL B CA 1 ATOM 5459 C C . VAL B 1 312 ? -11.242 -60.486 58.848 1.00 19.65 ? 392 VAL B C 1 ATOM 5460 O O . VAL B 1 312 ? -11.158 -61.710 58.943 1.00 21.36 ? 392 VAL B O 1 ATOM 5461 C CB . VAL B 1 312 ? -9.913 -59.473 60.745 1.00 23.40 ? 392 VAL B CB 1 ATOM 5462 C CG1 . VAL B 1 312 ? -8.583 -58.817 61.090 1.00 24.95 ? 392 VAL B CG1 1 ATOM 5463 C CG2 . VAL B 1 312 ? -11.062 -58.674 61.322 1.00 22.40 ? 392 VAL B CG2 1 ATOM 5464 N N . LYS B 1 313 ? -12.337 -59.864 58.421 1.00 18.33 ? 393 LYS B N 1 ATOM 5465 C CA . LYS B 1 313 ? -13.500 -60.593 57.927 1.00 18.26 ? 393 LYS B CA 1 ATOM 5466 C C . LYS B 1 313 ? -14.135 -59.821 56.784 1.00 17.62 ? 393 LYS B C 1 ATOM 5467 O O . LYS B 1 313 ? -14.131 -58.592 56.782 1.00 17.86 ? 393 LYS B O 1 ATOM 5468 C CB . LYS B 1 313 ? -14.541 -60.790 59.034 1.00 20.94 ? 393 LYS B CB 1 ATOM 5469 C CG . LYS B 1 313 ? -14.170 -61.815 60.093 1.00 24.00 ? 393 LYS B CG 1 ATOM 5470 C CD . LYS B 1 313 ? -15.262 -61.907 61.151 1.00 26.42 ? 393 LYS B CD 1 ATOM 5471 C CE . LYS B 1 313 ? -15.102 -63.142 62.020 1.00 29.74 ? 393 LYS B CE 1 ATOM 5472 N NZ . LYS B 1 313 ? -13.759 -63.226 62.644 1.00 31.88 ? 393 LYS B NZ 1 ATOM 5473 N N . LYS B 1 314 ? -14.684 -60.543 55.815 1.00 18.05 ? 394 LYS B N 1 ATOM 5474 C CA . LYS B 1 314 ? -15.446 -59.925 54.739 1.00 20.35 ? 394 LYS B CA 1 ATOM 5475 C C . LYS B 1 314 ? -16.586 -60.839 54.323 1.00 19.66 ? 394 LYS B C 1 ATOM 5476 O O . LYS B 1 314 ? -16.388 -62.035 54.110 1.00 22.32 ? 394 LYS B O 1 ATOM 5477 C CB . LYS B 1 314 ? -14.561 -59.629 53.527 1.00 24.35 ? 394 LYS B CB 1 ATOM 5478 C CG . LYS B 1 314 ? -15.317 -58.982 52.376 1.00 28.90 ? 394 LYS B CG 1 ATOM 5479 C CD . LYS B 1 314 ? -14.659 -59.263 51.037 1.00 33.56 ? 394 LYS B CD 1 ATOM 5480 C CE . LYS B 1 314 ? -13.304 -58.590 50.927 1.00 36.76 ? 394 LYS B CE 1 ATOM 5481 N NZ . LYS B 1 314 ? -12.687 -58.825 49.590 1.00 38.69 ? 394 LYS B NZ 1 ATOM 5482 N N . VAL B 1 315 ? -17.783 -60.279 54.215 1.00 15.80 ? 395 VAL B N 1 ATOM 5483 C CA . VAL B 1 315 ? -18.921 -61.055 53.749 1.00 15.11 ? 395 VAL B CA 1 ATOM 5484 C C . VAL B 1 315 ? -19.627 -60.317 52.622 1.00 14.31 ? 395 VAL B C 1 ATOM 5485 O O . VAL B 1 315 ? -19.916 -59.126 52.731 1.00 14.87 ? 395 VAL B O 1 ATOM 5486 C CB . VAL B 1 315 ? -19.915 -61.373 54.891 1.00 17.18 ? 395 VAL B CB 1 ATOM 5487 C CG1 . VAL B 1 315 ? -20.518 -60.099 55.464 1.00 19.53 ? 395 VAL B CG1 1 ATOM 5488 C CG2 . VAL B 1 315 ? -21.008 -62.308 54.396 1.00 15.34 ? 395 VAL B CG2 1 ATOM 5489 N N . GLU B 1 316 ? -19.887 -61.028 51.531 1.00 12.84 ? 396 GLU B N 1 ATOM 5490 C CA . GLU B 1 316 ? -20.617 -60.455 50.410 1.00 12.21 ? 396 GLU B CA 1 ATOM 5491 C C . GLU B 1 316 ? -22.064 -60.918 50.473 1.00 11.53 ? 396 GLU B C 1 ATOM 5492 O O . GLU B 1 316 ? -22.328 -62.109 50.631 1.00 13.98 ? 396 GLU B O 1 ATOM 5493 C CB . GLU B 1 316 ? -19.987 -60.876 49.082 1.00 13.41 ? 396 GLU B CB 1 ATOM 5494 C CG . GLU B 1 316 ? -20.708 -60.325 47.856 1.00 15.39 ? 396 GLU B CG 1 ATOM 5495 C CD . GLU B 1 316 ? -20.026 -60.706 46.556 1.00 18.35 ? 396 GLU B CD 1 ATOM 5496 O OE1 . GLU B 1 316 ? -20.418 -61.727 45.956 1.00 19.90 ? 396 GLU B OE1 1 ATOM 5497 O OE2 . GLU B 1 316 ? -19.101 -59.982 46.132 1.00 19.50 ? 396 GLU B OE2 1 ATOM 5498 N N . VAL B 1 317 ? -22.996 -59.976 50.360 1.00 11.09 ? 397 VAL B N 1 ATOM 5499 C CA . VAL B 1 317 ? -24.418 -60.309 50.401 1.00 11.22 ? 397 VAL B CA 1 ATOM 5500 C C . VAL B 1 317 ? -25.121 -59.995 49.082 1.00 11.18 ? 397 VAL B C 1 ATOM 5501 O O . VAL B 1 317 ? -26.302 -60.286 48.914 1.00 11.35 ? 397 VAL B O 1 ATOM 5502 C CB . VAL B 1 317 ? -25.147 -59.612 51.571 1.00 12.00 ? 397 VAL B CB 1 ATOM 5503 C CG1 . VAL B 1 317 ? -24.516 -60.011 52.902 1.00 12.40 ? 397 VAL B CG1 1 ATOM 5504 C CG2 . VAL B 1 317 ? -25.137 -58.098 51.394 1.00 13.90 ? 397 VAL B CG2 1 ATOM 5505 N N . LEU B 1 318 ? -24.379 -59.412 48.147 1.00 10.18 ? 398 LEU B N 1 ATOM 5506 C CA . LEU B 1 318 ? -24.886 -59.148 46.808 1.00 9.29 ? 398 LEU B CA 1 ATOM 5507 C C . LEU B 1 318 ? -23.694 -59.074 45.864 1.00 10.53 ? 398 LEU B C 1 ATOM 5508 O O . LEU B 1 318 ? -22.771 -58.294 46.093 1.00 12.42 ? 398 LEU B O 1 ATOM 5509 C CB . LEU B 1 318 ? -25.654 -57.824 46.775 1.00 10.09 ? 398 LEU B CB 1 ATOM 5510 C CG . LEU B 1 318 ? -26.311 -57.487 45.433 1.00 10.65 ? 398 LEU B CG 1 ATOM 5511 C CD1 . LEU B 1 318 ? -27.490 -58.414 45.178 1.00 10.94 ? 398 LEU B CD1 1 ATOM 5512 C CD2 . LEU B 1 318 ? -26.756 -56.028 45.388 1.00 12.10 ? 398 LEU B CD2 1 ATOM 5513 N N . ASN B 1 319 ? -23.688 -59.887 44.813 1.00 10.60 ? 399 ASN B N 1 ATOM 5514 C CA . ASN B 1 319 ? -22.534 -59.876 43.923 1.00 12.23 ? 399 ASN B CA 1 ATOM 5515 C C . ASN B 1 319 ? -22.527 -58.660 43.001 1.00 12.06 ? 399 ASN B C 1 ATOM 5516 O O . ASN B 1 319 ? -23.527 -57.944 42.886 1.00 11.77 ? 399 ASN B O 1 ATOM 5517 C CB . ASN B 1 319 ? -22.369 -61.200 43.162 1.00 14.95 ? 399 ASN B CB 1 ATOM 5518 C CG . ASN B 1 319 ? -23.475 -61.453 42.166 1.00 16.04 ? 399 ASN B CG 1 ATOM 5519 O OD1 . ASN B 1 319 ? -23.966 -60.532 41.519 1.00 17.24 ? 399 ASN B OD1 1 ATOM 5520 N ND2 . ASN B 1 319 ? -23.856 -62.718 42.015 1.00 19.33 ? 399 ASN B ND2 1 ATOM 5521 N N . ASN B 1 320 ? -21.386 -58.417 42.370 1.00 12.71 ? 400 ASN B N 1 ATOM 5522 C CA . ASN B 1 320 ? -21.189 -57.202 41.587 1.00 14.43 ? 400 ASN B CA 1 ATOM 5523 C C . ASN B 1 320 ? -21.935 -57.209 40.254 1.00 15.50 ? 400 ASN B C 1 ATOM 5524 O O . ASN B 1 320 ? -21.871 -56.244 39.494 1.00 18.86 ? 400 ASN B O 1 ATOM 5525 C CB . ASN B 1 320 ? -19.696 -56.953 41.364 1.00 15.27 ? 400 ASN B CB 1 ATOM 5526 C CG . ASN B 1 320 ? -19.391 -55.511 41.029 1.00 18.81 ? 400 ASN B CG 1 ATOM 5527 O OD1 . ASN B 1 320 ? -20.114 -54.601 41.434 1.00 20.02 ? 400 ASN B OD1 1 ATOM 5528 N ND2 . ASN B 1 320 ? -18.309 -55.292 40.294 1.00 22.99 ? 400 ASN B ND2 1 ATOM 5529 N N . LYS B 1 321 ? -22.649 -58.296 39.975 1.00 15.14 ? 401 LYS B N 1 ATOM 5530 C CA . LYS B 1 321 ? -23.463 -58.375 38.769 1.00 15.80 ? 401 LYS B CA 1 ATOM 5531 C C . LYS B 1 321 ? -24.854 -57.799 39.018 1.00 14.85 ? 401 LYS B C 1 ATOM 5532 O O . LYS B 1 321 ? -25.676 -57.730 38.106 1.00 17.15 ? 401 LYS B O 1 ATOM 5533 C CB . LYS B 1 321 ? -23.582 -59.827 38.304 1.00 19.52 ? 401 LYS B CB 1 ATOM 5534 C CG . LYS B 1 321 ? -22.247 -60.539 38.160 1.00 26.29 ? 401 LYS B CG 1 ATOM 5535 C CD . LYS B 1 321 ? -21.506 -60.098 36.911 1.00 32.39 ? 401 LYS B CD 1 ATOM 5536 C CE . LYS B 1 321 ? -22.078 -60.764 35.667 1.00 36.00 ? 401 LYS B CE 1 ATOM 5537 N NZ . LYS B 1 321 ? -21.357 -60.350 34.428 1.00 37.67 ? 401 LYS B NZ 1 ATOM 5538 N N . ASN B 1 322 ? -25.111 -57.383 40.254 1.00 12.75 ? 402 ASN B N 1 ATOM 5539 C CA . ASN B 1 322 ? -26.440 -56.919 40.635 1.00 12.66 ? 402 ASN B CA 1 ATOM 5540 C C . ASN B 1 322 ? -26.459 -55.526 41.255 1.00 11.71 ? 402 ASN B C 1 ATOM 5541 O O . ASN B 1 322 ? -25.506 -55.113 41.912 1.00 12.25 ? 402 ASN B O 1 ATOM 5542 C CB . ASN B 1 322 ? -27.103 -57.934 41.563 1.00 12.53 ? 402 ASN B CB 1 ATOM 5543 C CG . ASN B 1 322 ? -27.503 -59.197 40.834 1.00 13.61 ? 402 ASN B CG 1 ATOM 5544 O OD1 . ASN B 1 322 ? -28.508 -59.220 40.126 1.00 14.91 ? 402 ASN B OD1 1 ATOM 5545 N ND2 . ASN B 1 322 ? -26.709 -60.251 40.987 1.00 17.17 ? 402 ASN B ND2 1 ATOM 5546 N N . TRP B 1 323 ? -27.557 -54.808 41.042 1.00 12.25 ? 403 TRP B N 1 ATOM 5547 C CA . TRP B 1 323 ? -27.662 -53.424 41.487 1.00 12.93 ? 403 TRP B CA 1 ATOM 5548 C C . TRP B 1 323 ? -27.913 -53.309 42.981 1.00 11.98 ? 403 TRP B C 1 ATOM 5549 O O . TRP B 1 323 ? -28.775 -53.999 43.530 1.00 12.42 ? 403 TRP B O 1 ATOM 5550 C CB . TRP B 1 323 ? -28.766 -52.698 40.717 1.00 12.86 ? 403 TRP B CB 1 ATOM 5551 C CG . TRP B 1 323 ? -28.526 -52.701 39.253 1.00 13.79 ? 403 TRP B CG 1 ATOM 5552 C CD1 . TRP B 1 323 ? -29.287 -53.308 38.296 1.00 16.01 ? 403 TRP B CD1 1 ATOM 5553 C CD2 . TRP B 1 323 ? -27.430 -52.085 38.567 1.00 15.63 ? 403 TRP B CD2 1 ATOM 5554 N NE1 . TRP B 1 323 ? -28.737 -53.097 37.054 1.00 16.82 ? 403 TRP B NE1 1 ATOM 5555 C CE2 . TRP B 1 323 ? -27.597 -52.350 37.193 1.00 16.99 ? 403 TRP B CE2 1 ATOM 5556 C CE3 . TRP B 1 323 ? -26.329 -51.330 38.981 1.00 16.88 ? 403 TRP B CE3 1 ATOM 5557 C CZ2 . TRP B 1 323 ? -26.702 -51.886 36.230 1.00 17.45 ? 403 TRP B CZ2 1 ATOM 5558 C CZ3 . TRP B 1 323 ? -25.440 -50.873 38.026 1.00 18.20 ? 403 TRP B CZ3 1 ATOM 5559 C CH2 . TRP B 1 323 ? -25.632 -51.151 36.665 1.00 18.17 ? 403 TRP B CH2 1 ATOM 5560 N N . SER B 1 324 ? -27.150 -52.437 43.634 1.00 10.01 ? 404 SER B N 1 ATOM 5561 C CA . SER B 1 324 ? -27.394 -52.108 45.034 1.00 10.88 ? 404 SER B CA 1 ATOM 5562 C C . SER B 1 324 ? -27.941 -50.685 45.159 1.00 10.22 ? 404 SER B C 1 ATOM 5563 O O . SER B 1 324 ? -28.818 -50.290 44.393 1.00 10.22 ? 404 SER B O 1 ATOM 5564 C CB . SER B 1 324 ? -26.142 -52.329 45.897 1.00 10.27 ? 404 SER B CB 1 ATOM 5565 O OG . SER B 1 324 ? -25.015 -51.630 45.395 1.00 12.20 ? 404 SER B OG 1 ATOM 5566 N N . GLY B 1 325 ? -27.430 -49.917 46.115 1.00 10.37 ? 405 GLY B N 1 ATOM 5567 C CA . GLY B 1 325 ? -28.018 -48.630 46.438 1.00 11.05 ? 405 GLY B CA 1 ATOM 5568 C C . GLY B 1 325 ? -27.682 -48.216 47.854 1.00 9.47 ? 405 GLY B C 1 ATOM 5569 O O . GLY B 1 325 ? -26.618 -48.560 48.365 1.00 10.86 ? 405 GLY B O 1 ATOM 5570 N N . TYR B 1 326 ? -28.586 -47.473 48.486 1.00 9.09 ? 406 TYR B N 1 ATOM 5571 C CA . TYR B 1 326 ? -28.399 -47.038 49.866 1.00 8.70 ? 406 TYR B CA 1 ATOM 5572 C C . TYR B 1 326 ? -28.322 -48.225 50.831 1.00 8.78 ? 406 TYR B C 1 ATOM 5573 O O . TYR B 1 326 ? -28.839 -49.309 50.555 1.00 10.08 ? 406 TYR B O 1 ATOM 5574 C CB . TYR B 1 326 ? -29.550 -46.117 50.298 1.00 10.35 ? 406 TYR B CB 1 ATOM 5575 C CG . TYR B 1 326 ? -29.475 -44.695 49.782 1.00 9.70 ? 406 TYR B CG 1 ATOM 5576 C CD1 . TYR B 1 326 ? -28.638 -44.353 48.725 1.00 10.60 ? 406 TYR B CD1 1 ATOM 5577 C CD2 . TYR B 1 326 ? -30.254 -43.691 50.350 1.00 10.08 ? 406 TYR B CD2 1 ATOM 5578 C CE1 . TYR B 1 326 ? -28.574 -43.044 48.254 1.00 11.72 ? 406 TYR B CE1 1 ATOM 5579 C CE2 . TYR B 1 326 ? -30.195 -42.384 49.893 1.00 11.31 ? 406 TYR B CE2 1 ATOM 5580 C CZ . TYR B 1 326 ? -29.356 -42.065 48.845 1.00 12.22 ? 406 TYR B CZ 1 ATOM 5581 O OH . TYR B 1 326 ? -29.300 -40.766 48.390 1.00 13.83 ? 406 TYR B OH 1 ATOM 5582 N N . SER B 1 327 ? -27.664 -48.013 51.964 1.00 8.50 ? 407 SER B N 1 ATOM 5583 C CA . SER B 1 327 ? -27.722 -48.955 53.074 1.00 7.89 ? 407 SER B CA 1 ATOM 5584 C C . SER B 1 327 ? -27.734 -48.151 54.368 1.00 8.64 ? 407 SER B C 1 ATOM 5585 O O . SER B 1 327 ? -27.245 -47.021 54.405 1.00 9.83 ? 407 SER B O 1 ATOM 5586 C CB . SER B 1 327 ? -26.544 -49.934 53.039 1.00 8.85 ? 407 SER B CB 1 ATOM 5587 O OG . SER B 1 327 ? -25.299 -49.256 52.974 1.00 9.95 ? 407 SER B OG 1 ATOM 5588 N N . GLY B 1 328 ? -28.308 -48.719 55.422 1.00 8.59 ? 408 GLY B N 1 ATOM 5589 C CA . GLY B 1 328 ? -28.435 -47.993 56.668 1.00 8.81 ? 408 GLY B CA 1 ATOM 5590 C C . GLY B 1 328 ? -28.444 -48.882 57.888 1.00 9.63 ? 408 GLY B C 1 ATOM 5591 O O . GLY B 1 328 ? -28.687 -50.085 57.791 1.00 10.86 ? 408 GLY B O 1 ATOM 5592 N N . ALA B 1 329 ? -28.189 -48.274 59.042 1.00 9.65 ? 409 ALA B N 1 ATOM 5593 C CA . ALA B 1 329 ? -28.067 -48.998 60.299 1.00 10.23 ? 409 ALA B CA 1 ATOM 5594 C C . ALA B 1 329 ? -29.314 -48.886 61.170 1.00 10.48 ? 409 ALA B C 1 ATOM 5595 O O . ALA B 1 329 ? -30.008 -47.871 61.161 1.00 11.53 ? 409 ALA B O 1 ATOM 5596 C CB . ALA B 1 329 ? -26.857 -48.478 61.075 1.00 12.51 ? 409 ALA B CB 1 ATOM 5597 N N . PHE B 1 330 ? -29.581 -49.941 61.929 1.00 8.82 ? 410 PHE B N 1 ATOM 5598 C CA . PHE B 1 330 ? -30.540 -49.890 63.026 1.00 9.01 ? 410 PHE B CA 1 ATOM 5599 C C . PHE B 1 330 ? -30.142 -50.925 64.069 1.00 9.10 ? 410 PHE B C 1 ATOM 5600 O O . PHE B 1 330 ? -29.212 -51.700 63.853 1.00 11.10 ? 410 PHE B O 1 ATOM 5601 C CB . PHE B 1 330 ? -31.986 -50.093 62.545 1.00 10.12 ? 410 PHE B CB 1 ATOM 5602 C CG . PHE B 1 330 ? -32.266 -51.459 61.975 1.00 10.75 ? 410 PHE B CG 1 ATOM 5603 C CD1 . PHE B 1 330 ? -31.860 -51.791 60.689 1.00 11.56 ? 410 PHE B CD1 1 ATOM 5604 C CD2 . PHE B 1 330 ? -32.963 -52.402 62.716 1.00 12.37 ? 410 PHE B CD2 1 ATOM 5605 C CE1 . PHE B 1 330 ? -32.132 -53.046 60.162 1.00 11.85 ? 410 PHE B CE1 1 ATOM 5606 C CE2 . PHE B 1 330 ? -33.239 -53.656 62.194 1.00 12.05 ? 410 PHE B CE2 1 ATOM 5607 C CZ . PHE B 1 330 ? -32.823 -53.979 60.917 1.00 11.71 ? 410 PHE B CZ 1 ATOM 5608 N N . THR B 1 331 ? -30.825 -50.917 65.208 1.00 9.26 ? 411 THR B N 1 ATOM 5609 C CA . THR B 1 331 ? -30.552 -51.889 66.256 1.00 10.30 ? 411 THR B CA 1 ATOM 5610 C C . THR B 1 331 ? -31.841 -52.535 66.743 1.00 11.77 ? 411 THR B C 1 ATOM 5611 O O . THR B 1 331 ? -32.924 -51.956 66.628 1.00 12.48 ? 411 THR B O 1 ATOM 5612 C CB . THR B 1 331 ? -29.823 -51.252 67.467 1.00 11.74 ? 411 THR B CB 1 ATOM 5613 O OG1 . THR B 1 331 ? -30.576 -50.133 67.952 1.00 14.25 ? 411 THR B OG1 1 ATOM 5614 C CG2 . THR B 1 331 ? -28.424 -50.790 67.080 1.00 12.47 ? 411 THR B CG2 1 ATOM 5615 N N . ILE B 1 332 ? -31.714 -53.744 67.279 1.00 11.73 ? 412 ILE B N 1 ATOM 5616 C CA . ILE B 1 332 ? -32.830 -54.411 67.931 1.00 12.54 ? 412 ILE B CA 1 ATOM 5617 C C . ILE B 1 332 ? -32.675 -54.264 69.440 1.00 14.73 ? 412 ILE B C 1 ATOM 5618 O O . ILE B 1 332 ? -31.631 -54.611 69.997 1.00 15.78 ? 412 ILE B O 1 ATOM 5619 C CB . ILE B 1 332 ? -32.890 -55.907 67.574 1.00 15.74 ? 412 ILE B CB 1 ATOM 5620 C CG1 . ILE B 1 332 ? -32.897 -56.099 66.057 1.00 19.94 ? 412 ILE B CG1 1 ATOM 5621 C CG2 . ILE B 1 332 ? -34.116 -56.551 68.208 1.00 14.72 ? 412 ILE B CG2 1 ATOM 5622 C CD1 . ILE B 1 332 ? -32.866 -57.549 65.627 1.00 23.11 ? 412 ILE B CD1 1 ATOM 5623 N N . PRO B 1 333 ? -33.713 -53.743 70.105 1.00 16.79 ? 413 PRO B N 1 ATOM 5624 C CA . PRO B 1 333 ? -33.676 -53.486 71.549 1.00 18.00 ? 413 PRO B CA 1 ATOM 5625 C C . PRO B 1 333 ? -33.736 -54.761 72.386 1.00 20.03 ? 413 PRO B C 1 ATOM 5626 O O . PRO B 1 333 ? -34.140 -55.821 71.900 1.00 20.21 ? 413 PRO B O 1 ATOM 5627 C CB . PRO B 1 333 ? -34.936 -52.649 71.784 1.00 19.73 ? 413 PRO B CB 1 ATOM 5628 C CG . PRO B 1 333 ? -35.864 -53.070 70.697 1.00 19.35 ? 413 PRO B CG 1 ATOM 5629 C CD . PRO B 1 333 ? -34.982 -53.302 69.499 1.00 17.98 ? 413 PRO B CD 1 ATOM 5630 N N . ILE B 1 334 A -33.341 -54.633 73.648 1.00 20.94 ? 413 ILE B N 1 ATOM 5631 C CA . ILE B 1 334 A -33.294 -55.753 74.582 1.00 23.64 ? 413 ILE B CA 1 ATOM 5632 C C . ILE B 1 334 A -34.654 -56.412 74.787 1.00 25.12 ? 413 ILE B C 1 ATOM 5633 O O . ILE B 1 334 A -34.733 -57.602 75.091 1.00 26.71 ? 413 ILE B O 1 ATOM 5634 C CB . ILE B 1 334 A -32.756 -55.299 75.956 1.00 27.52 ? 413 ILE B CB 1 ATOM 5635 C CG1 . ILE B 1 334 A -31.382 -54.644 75.799 1.00 29.49 ? 413 ILE B CG1 1 ATOM 5636 C CG2 . ILE B 1 334 A -32.707 -56.462 76.930 1.00 31.92 ? 413 ILE B CG2 1 ATOM 5637 C CD1 . ILE B 1 334 A -30.390 -55.482 75.029 1.00 29.65 ? 413 ILE B CD1 1 ATOM 5638 N N . THR B 1 335 B -35.723 -55.639 74.627 1.00 27.10 ? 413 THR B N 1 ATOM 5639 C CA . THR B 1 335 B -37.068 -56.151 74.876 1.00 28.96 ? 413 THR B CA 1 ATOM 5640 C C . THR B 1 335 B -37.449 -57.265 73.906 1.00 30.11 ? 413 THR B C 1 ATOM 5641 O O . THR B 1 335 B -38.388 -58.021 74.157 1.00 31.46 ? 413 THR B O 1 ATOM 5642 C CB . THR B 1 335 B -38.128 -55.035 74.806 1.00 31.05 ? 413 THR B CB 1 ATOM 5643 O OG1 . THR B 1 335 B -38.016 -54.342 73.558 1.00 32.61 ? 413 THR B OG1 1 ATOM 5644 C CG2 . THR B 1 335 B -37.941 -54.050 75.948 1.00 31.32 ? 413 THR B CG2 1 ATOM 5645 N N . MET B 1 336 C -36.712 -57.369 72.804 1.00 30.15 ? 413 MET B N 1 ATOM 5646 C CA . MET B 1 336 C -37.017 -58.356 71.777 1.00 31.43 ? 413 MET B CA 1 ATOM 5647 C C . MET B 1 336 C -36.022 -59.513 71.751 1.00 30.18 ? 413 MET B C 1 ATOM 5648 O O . MET B 1 336 C -36.283 -60.548 71.138 1.00 30.13 ? 413 MET B O 1 ATOM 5649 C CB . MET B 1 336 C -37.056 -57.691 70.399 1.00 35.85 ? 413 MET B CB 1 ATOM 5650 C CG . MET B 1 336 C -37.868 -56.411 70.345 1.00 41.04 ? 413 MET B CG 1 ATOM 5651 S SD . MET B 1 336 C -38.707 -56.231 68.763 1.00 46.56 ? 413 MET B SD 1 ATOM 5652 C CE . MET B 1 336 C -39.860 -57.595 68.878 1.00 46.73 ? 413 MET B CE 1 ATOM 5653 N N . THR B 1 337 D -34.882 -59.337 72.410 1.00 28.13 ? 413 THR B N 1 ATOM 5654 C CA . THR B 1 337 D -33.810 -60.325 72.349 1.00 26.24 ? 413 THR B CA 1 ATOM 5655 C C . THR B 1 337 D -33.475 -60.906 73.716 1.00 27.04 ? 413 THR B C 1 ATOM 5656 O O . THR B 1 337 D -32.864 -61.971 73.810 1.00 25.82 ? 413 THR B O 1 ATOM 5657 C CB . THR B 1 337 D -32.523 -59.702 71.789 1.00 24.86 ? 413 THR B CB 1 ATOM 5658 O OG1 . THR B 1 337 D -32.045 -58.710 72.705 1.00 24.08 ? 413 THR B OG1 1 ATOM 5659 C CG2 . THR B 1 337 D -32.784 -59.057 70.433 1.00 25.38 ? 413 THR B CG2 1 ATOM 5660 N N . SER B 1 338 ? -33.860 -60.192 74.769 1.00 28.05 ? 414 SER B N 1 ATOM 5661 C CA . SER B 1 338 ? -33.517 -60.578 76.135 1.00 31.34 ? 414 SER B CA 1 ATOM 5662 C C . SER B 1 338 ? -32.004 -60.615 76.342 1.00 31.26 ? 414 SER B C 1 ATOM 5663 O O . SER B 1 338 ? -31.513 -61.252 77.274 1.00 31.24 ? 414 SER B O 1 ATOM 5664 C CB . SER B 1 338 ? -34.137 -61.932 76.492 1.00 34.23 ? 414 SER B CB 1 ATOM 5665 O OG . SER B 1 338 ? -35.550 -61.891 76.380 1.00 36.55 ? 414 SER B OG 1 ATOM 5666 N N . LYS B 1 339 ? -31.269 -59.935 75.468 1.00 31.41 ? 415 LYS B N 1 ATOM 5667 C CA . LYS B 1 339 ? -29.816 -59.866 75.586 1.00 30.45 ? 415 LYS B CA 1 ATOM 5668 C C . LYS B 1 339 ? -29.411 -58.694 76.464 1.00 29.28 ? 415 LYS B C 1 ATOM 5669 O O . LYS B 1 339 ? -30.260 -57.945 76.941 1.00 29.65 ? 415 LYS B O 1 ATOM 5670 C CB . LYS B 1 339 ? -29.159 -59.738 74.210 1.00 32.22 ? 415 LYS B CB 1 ATOM 5671 C CG . LYS B 1 339 ? -29.452 -60.897 73.273 1.00 34.04 ? 415 LYS B CG 1 ATOM 5672 C CD . LYS B 1 339 ? -28.615 -60.810 72.007 1.00 35.56 ? 415 LYS B CD 1 ATOM 5673 C CE . LYS B 1 339 ? -27.138 -61.004 72.311 1.00 37.47 ? 415 LYS B CE 1 ATOM 5674 N NZ . LYS B 1 339 ? -26.307 -60.985 71.076 1.00 40.04 ? 415 LYS B NZ 1 ATOM 5675 N N . GLN B 1 340 ? -28.109 -58.536 76.674 1.00 26.92 ? 416 GLN B N 1 ATOM 5676 C CA . GLN B 1 340 ? -27.601 -57.443 77.488 1.00 26.93 ? 416 GLN B CA 1 ATOM 5677 C C . GLN B 1 340 ? -26.938 -56.388 76.616 1.00 23.09 ? 416 GLN B C 1 ATOM 5678 O O . GLN B 1 340 ? -26.367 -55.420 77.120 1.00 24.09 ? 416 GLN B O 1 ATOM 5679 C CB . GLN B 1 340 ? -26.611 -57.970 78.525 1.00 29.67 ? 416 GLN B CB 1 ATOM 5680 C CG . GLN B 1 340 ? -27.225 -58.931 79.526 1.00 35.30 ? 416 GLN B CG 1 ATOM 5681 C CD . GLN B 1 340 ? -28.204 -58.248 80.457 1.00 40.45 ? 416 GLN B CD 1 ATOM 5682 O OE1 . GLN B 1 340 ? -27.849 -57.857 81.569 1.00 44.03 ? 416 GLN B OE1 1 ATOM 5683 N NE2 . GLN B 1 340 ? -29.445 -58.097 80.007 1.00 41.57 ? 416 GLN B NE2 1 ATOM 5684 N N . CYS B 1 341 ? -27.014 -56.585 75.304 1.00 19.91 ? 417 CYS B N 1 ATOM 5685 C CA . CYS B 1 341 ? -26.425 -55.656 74.351 1.00 18.58 ? 417 CYS B CA 1 ATOM 5686 C C . CYS B 1 341 ? -27.367 -55.437 73.172 1.00 16.42 ? 417 CYS B C 1 ATOM 5687 O O . CYS B 1 341 ? -28.261 -56.248 72.920 1.00 17.93 ? 417 CYS B O 1 ATOM 5688 C CB . CYS B 1 341 ? -25.064 -56.167 73.867 1.00 20.35 ? 417 CYS B CB 1 ATOM 5689 S SG . CYS B 1 341 ? -25.094 -57.788 73.061 1.00 21.53 ? 417 CYS B SG 1 ATOM 5690 N N . LEU B 1 342 ? -27.162 -54.340 72.453 1.00 13.56 ? 418 LEU B N 1 ATOM 5691 C CA . LEU B 1 342 ? -28.009 -53.986 71.323 1.00 13.19 ? 418 LEU B CA 1 ATOM 5692 C C . LEU B 1 342 ? -27.495 -54.646 70.049 1.00 13.12 ? 418 LEU B C 1 ATOM 5693 O O . LEU B 1 342 ? -26.320 -54.526 69.711 1.00 14.98 ? 418 LEU B O 1 ATOM 5694 C CB . LEU B 1 342 ? -28.049 -52.465 71.159 1.00 13.49 ? 418 LEU B CB 1 ATOM 5695 C CG . LEU B 1 342 ? -28.395 -51.719 72.454 1.00 14.98 ? 418 LEU B CG 1 ATOM 5696 C CD1 . LEU B 1 342 ? -28.411 -50.204 72.259 1.00 15.96 ? 418 LEU B CD1 1 ATOM 5697 C CD2 . LEU B 1 342 ? -29.718 -52.214 73.029 1.00 17.03 ? 418 LEU B CD2 1 ATOM 5698 N N . VAL B 1 343 ? -28.377 -55.344 69.344 1.00 12.18 ? 419 VAL B N 1 ATOM 5699 C CA . VAL B 1 343 ? -27.977 -56.076 68.147 1.00 12.30 ? 419 VAL B CA 1 ATOM 5700 C C . VAL B 1 343 ? -27.892 -55.154 66.931 1.00 12.49 ? 419 VAL B C 1 ATOM 5701 O O . VAL B 1 343 ? -28.875 -54.506 66.569 1.00 13.44 ? 419 VAL B O 1 ATOM 5702 C CB . VAL B 1 343 ? -28.951 -57.231 67.851 1.00 13.18 ? 419 VAL B CB 1 ATOM 5703 C CG1 . VAL B 1 343 ? -28.585 -57.910 66.541 1.00 14.67 ? 419 VAL B CG1 1 ATOM 5704 C CG2 . VAL B 1 343 ? -28.951 -58.234 69.002 1.00 13.82 ? 419 VAL B CG2 1 ATOM 5705 N N . PRO B 1 344 ? -26.709 -55.087 66.299 1.00 10.44 ? 420 PRO B N 1 ATOM 5706 C CA . PRO B 1 344 ? -26.549 -54.241 65.111 1.00 11.53 ? 420 PRO B CA 1 ATOM 5707 C C . PRO B 1 344 ? -27.126 -54.905 63.865 1.00 11.06 ? 420 PRO B C 1 ATOM 5708 O O . PRO B 1 344 ? -26.833 -56.070 63.602 1.00 12.32 ? 420 PRO B O 1 ATOM 5709 C CB . PRO B 1 344 ? -25.030 -54.106 64.986 1.00 12.64 ? 420 PRO B CB 1 ATOM 5710 C CG . PRO B 1 344 ? -24.495 -55.365 65.592 1.00 12.73 ? 420 PRO B CG 1 ATOM 5711 C CD . PRO B 1 344 ? -25.440 -55.710 66.717 1.00 12.15 ? 420 PRO B CD 1 ATOM 5712 N N . CYS B 1 345 ? -27.943 -54.168 63.118 1.00 9.88 ? 421 CYS B N 1 ATOM 5713 C CA . CYS B 1 345 ? -28.525 -54.669 61.878 1.00 10.15 ? 421 CYS B CA 1 ATOM 5714 C C . CYS B 1 345 ? -28.366 -53.636 60.779 1.00 9.79 ? 421 CYS B C 1 ATOM 5715 O O . CYS B 1 345 ? -28.207 -52.449 61.057 1.00 11.83 ? 421 CYS B O 1 ATOM 5716 C CB . CYS B 1 345 ? -30.015 -54.938 62.058 1.00 11.12 ? 421 CYS B CB 1 ATOM 5717 S SG . CYS B 1 345 ? -30.429 -56.096 63.357 1.00 12.17 ? 421 CYS B SG 1 ATOM 5718 N N . PHE B 1 346 ? -28.432 -54.079 59.529 1.00 9.34 ? 422 PHE B N 1 ATOM 5719 C CA . PHE B 1 346 ? -28.465 -53.134 58.423 1.00 8.31 ? 422 PHE B CA 1 ATOM 5720 C C . PHE B 1 346 ? -29.474 -53.544 57.362 1.00 9.19 ? 422 PHE B C 1 ATOM 5721 O O . PHE B 1 346 ? -29.832 -54.718 57.240 1.00 10.52 ? 422 PHE B O 1 ATOM 5722 C CB . PHE B 1 346 ? -27.073 -52.928 57.810 1.00 9.99 ? 422 PHE B CB 1 ATOM 5723 C CG . PHE B 1 346 ? -26.562 -54.108 57.028 1.00 10.33 ? 422 PHE B CG 1 ATOM 5724 C CD1 . PHE B 1 346 ? -25.819 -55.099 57.649 1.00 11.03 ? 422 PHE B CD1 1 ATOM 5725 C CD2 . PHE B 1 346 ? -26.799 -54.210 55.665 1.00 10.32 ? 422 PHE B CD2 1 ATOM 5726 C CE1 . PHE B 1 346 ? -25.334 -56.181 56.927 1.00 11.78 ? 422 PHE B CE1 1 ATOM 5727 C CE2 . PHE B 1 346 ? -26.321 -55.292 54.940 1.00 12.36 ? 422 PHE B CE2 1 ATOM 5728 C CZ . PHE B 1 346 ? -25.589 -56.278 55.575 1.00 13.07 ? 422 PHE B CZ 1 ATOM 5729 N N . TRP B 1 347 ? -29.944 -52.556 56.610 1.00 9.51 ? 423 TRP B N 1 ATOM 5730 C CA . TRP B 1 347 ? -30.766 -52.817 55.440 1.00 8.88 ? 423 TRP B CA 1 ATOM 5731 C C . TRP B 1 347 ? -29.984 -52.434 54.197 1.00 9.76 ? 423 TRP B C 1 ATOM 5732 O O . TRP B 1 347 ? -29.116 -51.554 54.236 1.00 9.76 ? 423 TRP B O 1 ATOM 5733 C CB . TRP B 1 347 ? -32.094 -52.053 55.501 1.00 9.76 ? 423 TRP B CB 1 ATOM 5734 C CG . TRP B 1 347 ? -31.945 -50.589 55.779 1.00 9.74 ? 423 TRP B CG 1 ATOM 5735 C CD1 . TRP B 1 347 ? -31.951 -49.983 57.004 1.00 10.27 ? 423 TRP B CD1 1 ATOM 5736 C CD2 . TRP B 1 347 ? -31.776 -49.541 54.814 1.00 9.12 ? 423 TRP B CD2 1 ATOM 5737 N NE1 . TRP B 1 347 ? -31.792 -48.625 56.863 1.00 10.14 ? 423 TRP B NE1 1 ATOM 5738 C CE2 . TRP B 1 347 ? -31.680 -48.327 55.529 1.00 9.90 ? 423 TRP B CE2 1 ATOM 5739 C CE3 . TRP B 1 347 ? -31.695 -49.510 53.418 1.00 10.53 ? 423 TRP B CE3 1 ATOM 5740 C CZ2 . TRP B 1 347 ? -31.511 -47.096 54.894 1.00 9.28 ? 423 TRP B CZ2 1 ATOM 5741 C CZ3 . TRP B 1 347 ? -31.525 -48.284 52.788 1.00 11.15 ? 423 TRP B CZ3 1 ATOM 5742 C CH2 . TRP B 1 347 ? -31.434 -47.095 53.527 1.00 9.73 ? 423 TRP B CH2 1 ATOM 5743 N N . LEU B 1 348 ? -30.283 -53.119 53.102 1.00 9.24 ? 424 LEU B N 1 ATOM 5744 C CA . LEU B 1 348 ? -29.669 -52.836 51.817 1.00 9.99 ? 424 LEU B CA 1 ATOM 5745 C C . LEU B 1 348 ? -30.757 -52.537 50.801 1.00 9.72 ? 424 LEU B C 1 ATOM 5746 O O . LEU B 1 348 ? -31.709 -53.308 50.651 1.00 11.08 ? 424 LEU B O 1 ATOM 5747 C CB . LEU B 1 348 ? -28.842 -54.031 51.351 1.00 10.32 ? 424 LEU B CB 1 ATOM 5748 C CG . LEU B 1 348 ? -28.223 -53.938 49.955 1.00 11.34 ? 424 LEU B CG 1 ATOM 5749 C CD1 . LEU B 1 348 ? -27.273 -52.750 49.849 1.00 13.16 ? 424 LEU B CD1 1 ATOM 5750 C CD2 . LEU B 1 348 ? -27.506 -55.242 49.614 1.00 13.11 ? 424 LEU B CD2 1 ATOM 5751 N N . GLU B 1 349 ? -30.613 -51.410 50.115 1.00 8.79 ? 425 GLU B N 1 ATOM 5752 C CA . GLU B 1 349 ? -31.518 -51.037 49.041 1.00 10.48 ? 425 GLU B CA 1 ATOM 5753 C C . GLU B 1 349 ? -30.957 -51.495 47.702 1.00 10.30 ? 425 GLU B C 1 ATOM 5754 O O . GLU B 1 349 ? -29.775 -51.307 47.420 1.00 10.78 ? 425 GLU B O 1 ATOM 5755 C CB . GLU B 1 349 ? -31.707 -49.522 49.021 1.00 12.20 ? 425 GLU B CB 1 ATOM 5756 C CG . GLU B 1 349 ? -32.538 -49.035 47.859 1.00 12.39 ? 425 GLU B CG 1 ATOM 5757 C CD . GLU B 1 349 ? -32.546 -47.527 47.728 1.00 11.38 ? 425 GLU B CD 1 ATOM 5758 O OE1 . GLU B 1 349 ? -31.459 -46.903 47.776 1.00 11.11 ? 425 GLU B OE1 1 ATOM 5759 O OE2 . GLU B 1 349 ? -33.646 -46.968 47.551 1.00 11.96 ? 425 GLU B OE2 1 ATOM 5760 N N . MET B 1 350 ? -31.811 -52.094 46.878 1.00 9.49 ? 426 MET B N 1 ATOM 5761 C CA . MET B 1 350 ? -31.410 -52.536 45.551 1.00 10.63 ? 426 MET B CA 1 ATOM 5762 C C . MET B 1 350 ? -32.250 -51.811 44.501 1.00 10.18 ? 426 MET B C 1 ATOM 5763 O O . MET B 1 350 ? -33.432 -52.105 44.316 1.00 11.09 ? 426 MET B O 1 ATOM 5764 C CB . MET B 1 350 ? -31.524 -54.059 45.445 1.00 10.96 ? 426 MET B CB 1 ATOM 5765 C CG . MET B 1 350 ? -30.564 -54.764 46.398 1.00 12.09 ? 426 MET B CG 1 ATOM 5766 S SD . MET B 1 350 ? -30.672 -56.560 46.418 1.00 11.89 ? 426 MET B SD 1 ATOM 5767 C CE . MET B 1 350 ? -32.259 -56.809 47.217 1.00 11.53 ? 426 MET B CE 1 ATOM 5768 N N . ILE B 1 351 ? -31.625 -50.844 43.834 1.00 9.29 ? 427 ILE B N 1 ATOM 5769 C CA . ILE B 1 351 ? -32.320 -49.942 42.922 1.00 9.15 ? 427 ILE B CA 1 ATOM 5770 C C . ILE B 1 351 ? -32.478 -50.544 41.529 1.00 10.00 ? 427 ILE B C 1 ATOM 5771 O O . ILE B 1 351 ? -31.518 -51.066 40.960 1.00 10.87 ? 427 ILE B O 1 ATOM 5772 C CB . ILE B 1 351 ? -31.568 -48.594 42.807 1.00 9.52 ? 427 ILE B CB 1 ATOM 5773 C CG1 . ILE B 1 351 ? -31.401 -47.954 44.192 1.00 11.43 ? 427 ILE B CG1 1 ATOM 5774 C CG2 . ILE B 1 351 ? -32.296 -47.648 41.852 1.00 11.14 ? 427 ILE B CG2 1 ATOM 5775 C CD1 . ILE B 1 351 ? -30.414 -46.788 44.228 1.00 12.10 ? 427 ILE B CD1 1 ATOM 5776 N N . ARG B 1 352 ? -33.692 -50.465 40.986 1.00 11.13 ? 428 ARG B N 1 ATOM 5777 C CA . ARG B 1 352 ? -33.973 -50.935 39.632 1.00 10.39 ? 428 ARG B CA 1 ATOM 5778 C C . ARG B 1 352 ? -34.538 -49.803 38.783 1.00 11.37 ? 428 ARG B C 1 ATOM 5779 O O . ARG B 1 352 ? -35.190 -48.891 39.298 1.00 11.16 ? 428 ARG B O 1 ATOM 5780 C CB . ARG B 1 352 ? -34.964 -52.103 39.651 1.00 10.65 ? 428 ARG B CB 1 ATOM 5781 C CG . ARG B 1 352 ? -34.506 -53.307 40.459 1.00 10.40 ? 428 ARG B CG 1 ATOM 5782 C CD . ARG B 1 352 ? -33.168 -53.860 39.978 1.00 11.43 ? 428 ARG B CD 1 ATOM 5783 N NE . ARG B 1 352 ? -33.162 -54.198 38.556 1.00 12.37 ? 428 ARG B NE 1 ATOM 5784 C CZ . ARG B 1 352 ? -33.600 -55.349 38.053 1.00 12.38 ? 428 ARG B CZ 1 ATOM 5785 N NH1 . ARG B 1 352 ? -34.096 -56.284 38.854 1.00 12.28 ? 428 ARG B NH1 1 ATOM 5786 N NH2 . ARG B 1 352 ? -33.547 -55.563 36.743 1.00 12.65 ? 428 ARG B NH2 1 ATOM 5787 N N . GLY B 1 353 ? -34.297 -49.874 37.479 1.00 12.72 ? 429 GLY B N 1 ATOM 5788 C CA . GLY B 1 353 ? -34.751 -48.840 36.568 1.00 13.39 ? 429 GLY B CA 1 ATOM 5789 C C . GLY B 1 353 ? -33.697 -47.770 36.351 1.00 14.72 ? 429 GLY B C 1 ATOM 5790 O O . GLY B 1 353 ? -32.501 -48.056 36.332 1.00 17.08 ? 429 GLY B O 1 ATOM 5791 N N . LYS B 1 354 ? -34.137 -46.529 36.184 1.00 15.87 ? 430 LYS B N 1 ATOM 5792 C CA . LYS B 1 354 ? -33.201 -45.431 35.965 1.00 17.10 ? 430 LYS B CA 1 ATOM 5793 C C . LYS B 1 354 ? -32.388 -45.160 37.232 1.00 18.17 ? 430 LYS B C 1 ATOM 5794 O O . LYS B 1 354 ? -32.884 -45.358 38.338 1.00 19.15 ? 430 LYS B O 1 ATOM 5795 C CB . LYS B 1 354 ? -33.949 -44.177 35.501 1.00 19.40 ? 430 LYS B CB 1 ATOM 5796 C CG . LYS B 1 354 ? -34.770 -44.403 34.236 1.00 24.00 ? 430 LYS B CG 1 ATOM 5797 C CD . LYS B 1 354 ? -34.832 -43.163 33.357 1.00 27.94 ? 430 LYS B CD 1 ATOM 5798 C CE . LYS B 1 354 ? -35.311 -43.516 31.951 1.00 30.80 ? 430 LYS B CE 1 ATOM 5799 N NZ . LYS B 1 354 ? -35.364 -42.332 31.056 1.00 34.16 ? 430 LYS B NZ 1 ATOM 5800 N N . PRO B 1 355 ? -31.139 -44.687 37.077 1.00 21.07 ? 431 PRO B N 1 ATOM 5801 C CA . PRO B 1 355 ? -30.492 -44.307 35.817 1.00 21.76 ? 431 PRO B CA 1 ATOM 5802 C C . PRO B 1 355 ? -29.760 -45.447 35.107 1.00 21.00 ? 431 PRO B C 1 ATOM 5803 O O . PRO B 1 355 ? -29.453 -45.313 33.921 1.00 22.27 ? 431 PRO B O 1 ATOM 5804 C CB . PRO B 1 355 ? -29.460 -43.254 36.258 1.00 23.69 ? 431 PRO B CB 1 ATOM 5805 C CG . PRO B 1 355 ? -29.577 -43.147 37.774 1.00 25.72 ? 431 PRO B CG 1 ATOM 5806 C CD . PRO B 1 355 ? -30.284 -44.374 38.231 1.00 23.83 ? 431 PRO B CD 1 ATOM 5807 N N . GLU B 1 356 ? -29.478 -46.539 35.812 1.00 19.26 ? 432 GLU B N 1 ATOM 5808 C CA . GLU B 1 356 ? -28.650 -47.612 35.260 1.00 19.08 ? 432 GLU B CA 1 ATOM 5809 C C . GLU B 1 356 ? -29.355 -48.435 34.188 1.00 19.30 ? 432 GLU B C 1 ATOM 5810 O O . GLU B 1 356 ? -28.711 -48.986 33.298 1.00 21.05 ? 432 GLU B O 1 ATOM 5811 C CB . GLU B 1 356 ? -28.147 -48.536 36.374 1.00 20.22 ? 432 GLU B CB 1 ATOM 5812 C CG . GLU B 1 356 ? -27.189 -47.873 37.351 1.00 22.11 ? 432 GLU B CG 1 ATOM 5813 C CD . GLU B 1 356 ? -25.829 -47.579 36.740 1.00 24.76 ? 432 GLU B CD 1 ATOM 5814 O OE1 . GLU B 1 356 ? -25.637 -47.848 35.536 1.00 26.18 ? 432 GLU B OE1 1 ATOM 5815 O OE2 . GLU B 1 356 ? -24.945 -47.082 37.470 1.00 26.88 ? 432 GLU B OE2 1 ATOM 5816 N N . GLU B 1 357 ? -30.676 -48.526 34.283 1.00 17.91 ? 433 GLU B N 1 ATOM 5817 C CA . GLU B 1 357 ? -31.452 -49.305 33.326 1.00 15.88 ? 433 GLU B CA 1 ATOM 5818 C C . GLU B 1 357 ? -32.369 -48.383 32.526 1.00 19.06 ? 433 GLU B C 1 ATOM 5819 O O . GLU B 1 357 ? -33.529 -48.173 32.878 1.00 19.36 ? 433 GLU B O 1 ATOM 5820 C CB . GLU B 1 357 ? -32.224 -50.411 34.051 1.00 14.87 ? 433 GLU B CB 1 ATOM 5821 C CG . GLU B 1 357 ? -31.298 -51.374 34.796 1.00 14.90 ? 433 GLU B CG 1 ATOM 5822 C CD . GLU B 1 357 ? -32.035 -52.368 35.673 1.00 16.27 ? 433 GLU B CD 1 ATOM 5823 O OE1 . GLU B 1 357 ? -32.409 -52.003 36.808 1.00 15.72 ? 433 GLU B OE1 1 ATOM 5824 O OE2 . GLU B 1 357 ? -32.230 -53.519 35.230 1.00 18.45 ? 433 GLU B OE2 1 ATOM 5825 N N . ARG B 1 358 ? -31.828 -47.839 31.440 1.00 21.01 ? 434 ARG B N 1 ATOM 5826 C CA . ARG B 1 358 ? -32.473 -46.752 30.707 1.00 23.44 ? 434 ARG B CA 1 ATOM 5827 C C . ARG B 1 358 ? -33.693 -47.160 29.889 1.00 23.17 ? 434 ARG B C 1 ATOM 5828 O O . ARG B 1 358 ? -34.445 -46.299 29.433 1.00 24.42 ? 434 ARG B O 1 ATOM 5829 C CB . ARG B 1 358 ? -31.468 -46.039 29.799 1.00 29.24 ? 434 ARG B CB 1 ATOM 5830 C CG . ARG B 1 358 ? -30.425 -45.216 30.533 1.00 36.23 ? 434 ARG B CG 1 ATOM 5831 C CD . ARG B 1 358 ? -29.054 -45.866 30.445 1.00 42.82 ? 434 ARG B CD 1 ATOM 5832 N NE . ARG B 1 358 ? -27.990 -44.877 30.300 1.00 47.23 ? 434 ARG B NE 1 ATOM 5833 C CZ . ARG B 1 358 ? -27.538 -44.435 29.131 1.00 50.71 ? 434 ARG B CZ 1 ATOM 5834 N NH1 . ARG B 1 358 ? -28.057 -44.895 28.000 1.00 51.63 ? 434 ARG B NH1 1 ATOM 5835 N NH2 . ARG B 1 358 ? -26.566 -43.532 29.090 1.00 52.12 ? 434 ARG B NH2 1 ATOM 5836 N N . THR B 1 359 ? -33.890 -48.459 29.691 1.00 21.48 ? 435 THR B N 1 ATOM 5837 C CA . THR B 1 359 ? -35.051 -48.926 28.939 1.00 21.17 ? 435 THR B CA 1 ATOM 5838 C C . THR B 1 359 ? -36.315 -48.938 29.799 1.00 19.94 ? 435 THR B C 1 ATOM 5839 O O . THR B 1 359 ? -37.395 -49.276 29.321 1.00 20.69 ? 435 THR B O 1 ATOM 5840 C CB . THR B 1 359 ? -34.819 -50.312 28.303 1.00 21.86 ? 435 THR B CB 1 ATOM 5841 O OG1 . THR B 1 359 ? -34.309 -51.218 29.288 1.00 25.15 ? 435 THR B OG1 1 ATOM 5842 C CG2 . THR B 1 359 ? -33.821 -50.209 27.159 1.00 23.80 ? 435 THR B CG2 1 ATOM 5843 N N . SER B 1 360 ? -36.176 -48.566 31.067 1.00 17.15 ? 436 SER B N 1 ATOM 5844 C CA . SER B 1 360 ? -37.338 -48.392 31.935 1.00 14.54 ? 436 SER B CA 1 ATOM 5845 C C . SER B 1 360 ? -37.595 -46.912 32.197 1.00 15.17 ? 436 SER B C 1 ATOM 5846 O O . SER B 1 360 ? -36.663 -46.110 32.233 1.00 17.25 ? 436 SER B O 1 ATOM 5847 C CB . SER B 1 360 ? -37.162 -49.150 33.253 1.00 15.92 ? 436 SER B CB 1 ATOM 5848 O OG . SER B 1 360 ? -37.254 -50.549 33.046 1.00 17.07 ? 436 SER B OG 1 ATOM 5849 N N . ILE B 1 361 ? -38.863 -46.553 32.374 1.00 14.12 ? 437 ILE B N 1 ATOM 5850 C CA . ILE B 1 361 ? -39.240 -45.155 32.568 1.00 13.47 ? 437 ILE B CA 1 ATOM 5851 C C . ILE B 1 361 ? -39.282 -44.764 34.043 1.00 13.90 ? 437 ILE B C 1 ATOM 5852 O O . ILE B 1 361 ? -39.461 -43.592 34.374 1.00 14.87 ? 437 ILE B O 1 ATOM 5853 C CB . ILE B 1 361 ? -40.623 -44.856 31.956 1.00 14.12 ? 437 ILE B CB 1 ATOM 5854 C CG1 . ILE B 1 361 ? -41.723 -45.600 32.718 1.00 13.94 ? 437 ILE B CG1 1 ATOM 5855 C CG2 . ILE B 1 361 ? -40.650 -45.217 30.479 1.00 16.36 ? 437 ILE B CG2 1 ATOM 5856 C CD1 . ILE B 1 361 ? -43.126 -45.281 32.229 1.00 15.16 ? 437 ILE B CD1 1 ATOM 5857 N N . TRP B 1 362 ? -39.110 -45.751 34.918 1.00 11.64 ? 438 TRP B N 1 ATOM 5858 C CA . TRP B 1 362 ? -39.321 -45.575 36.350 1.00 11.53 ? 438 TRP B CA 1 ATOM 5859 C C . TRP B 1 362 ? -38.080 -45.957 37.147 1.00 11.38 ? 438 TRP B C 1 ATOM 5860 O O . TRP B 1 362 ? -37.121 -46.506 36.602 1.00 12.25 ? 438 TRP B O 1 ATOM 5861 C CB . TRP B 1 362 ? -40.494 -46.452 36.799 1.00 11.06 ? 438 TRP B CB 1 ATOM 5862 C CG . TRP B 1 362 ? -40.333 -47.879 36.353 1.00 10.34 ? 438 TRP B CG 1 ATOM 5863 C CD1 . TRP B 1 362 ? -40.695 -48.404 35.145 1.00 11.88 ? 438 TRP B CD1 1 ATOM 5864 C CD2 . TRP B 1 362 ? -39.742 -48.955 37.095 1.00 9.64 ? 438 TRP B CD2 1 ATOM 5865 N NE1 . TRP B 1 362 ? -40.373 -49.736 35.090 1.00 12.13 ? 438 TRP B NE1 1 ATOM 5866 C CE2 . TRP B 1 362 ? -39.791 -50.102 36.273 1.00 11.14 ? 438 TRP B CE2 1 ATOM 5867 C CE3 . TRP B 1 362 ? -39.182 -49.061 38.372 1.00 10.12 ? 438 TRP B CE3 1 ATOM 5868 C CZ2 . TRP B 1 362 ? -39.301 -51.339 36.687 1.00 10.90 ? 438 TRP B CZ2 1 ATOM 5869 C CZ3 . TRP B 1 362 ? -38.694 -50.289 38.780 1.00 10.76 ? 438 TRP B CZ3 1 ATOM 5870 C CH2 . TRP B 1 362 ? -38.758 -51.414 37.940 1.00 11.01 ? 438 TRP B CH2 1 ATOM 5871 N N . THR B 1 363 ? -38.109 -45.660 38.441 1.00 11.74 ? 439 THR B N 1 ATOM 5872 C CA . THR B 1 363 ? -37.073 -46.094 39.367 1.00 12.19 ? 439 THR B CA 1 ATOM 5873 C C . THR B 1 363 ? -37.737 -46.569 40.645 1.00 12.71 ? 439 THR B C 1 ATOM 5874 O O . THR B 1 363 ? -38.573 -45.865 41.205 1.00 15.44 ? 439 THR B O 1 ATOM 5875 C CB . THR B 1 363 ? -36.136 -44.940 39.761 1.00 14.48 ? 439 THR B CB 1 ATOM 5876 O OG1 . THR B 1 363 ? -35.482 -44.422 38.598 1.00 16.97 ? 439 THR B OG1 1 ATOM 5877 C CG2 . THR B 1 363 ? -35.086 -45.419 40.762 1.00 15.43 ? 439 THR B CG2 1 ATOM 5878 N N . SER B 1 364 ? -37.369 -47.755 41.113 1.00 11.22 ? 440 SER B N 1 ATOM 5879 C CA . SER B 1 364 ? -37.794 -48.188 42.436 1.00 10.62 ? 440 SER B CA 1 ATOM 5880 C C . SER B 1 364 ? -36.681 -48.991 43.073 1.00 10.53 ? 440 SER B C 1 ATOM 5881 O O . SER B 1 364 ? -35.604 -49.131 42.501 1.00 11.78 ? 440 SER B O 1 ATOM 5882 C CB . SER B 1 364 ? -39.086 -49.010 42.371 1.00 10.94 ? 440 SER B CB 1 ATOM 5883 O OG . SER B 1 364 ? -39.661 -49.144 43.666 1.00 11.31 ? 440 SER B OG 1 ATOM 5884 N N . SER B 1 365 ? -36.935 -49.511 44.264 1.00 10.11 ? 441 SER B N 1 ATOM 5885 C CA . SER B 1 365 ? -35.966 -50.369 44.913 1.00 9.60 ? 441 SER B CA 1 ATOM 5886 C C . SER B 1 365 ? -36.683 -51.398 45.762 1.00 9.84 ? 441 SER B C 1 ATOM 5887 O O . SER B 1 365 ? -37.850 -51.222 46.117 1.00 11.12 ? 441 SER B O 1 ATOM 5888 C CB . SER B 1 365 ? -35.006 -49.546 45.774 1.00 11.60 ? 441 SER B CB 1 ATOM 5889 O OG . SER B 1 365 ? -35.691 -48.892 46.831 1.00 11.58 ? 441 SER B OG 1 ATOM 5890 N N . SER B 1 366 ? -35.983 -52.487 46.055 1.00 10.10 ? 442 SER B N 1 ATOM 5891 C CA . SER B 1 366 ? -36.440 -53.447 47.045 1.00 9.54 ? 442 SER B CA 1 ATOM 5892 C C . SER B 1 366 ? -35.326 -53.603 48.068 1.00 9.24 ? 442 SER B C 1 ATOM 5893 O O . SER B 1 366 ? -34.260 -52.997 47.929 1.00 11.86 ? 442 SER B O 1 ATOM 5894 C CB . SER B 1 366 ? -36.788 -54.790 46.402 1.00 10.61 ? 442 SER B CB 1 ATOM 5895 O OG . SER B 1 366 ? -35.623 -55.488 46.002 1.00 11.83 ? 442 SER B OG 1 ATOM 5896 N N . SER B 1 367 ? -35.559 -54.405 49.099 1.00 10.08 ? 443 SER B N 1 ATOM 5897 C CA . SER B 1 367 ? -34.581 -54.486 50.174 1.00 10.04 ? 443 SER B CA 1 ATOM 5898 C C . SER B 1 367 ? -34.255 -55.901 50.618 1.00 10.04 ? 443 SER B C 1 ATOM 5899 O O . SER B 1 367 ? -35.042 -56.840 50.441 1.00 11.07 ? 443 SER B O 1 ATOM 5900 C CB . SER B 1 367 ? -35.044 -53.674 51.389 1.00 11.77 ? 443 SER B CB 1 ATOM 5901 O OG . SER B 1 367 ? -36.073 -54.352 52.092 1.00 13.44 ? 443 SER B OG 1 ATOM 5902 N N . THR B 1 368 ? -33.066 -56.027 51.195 1.00 9.80 ? 444 THR B N 1 ATOM 5903 C CA . THR B 1 368 ? -32.714 -57.158 52.034 1.00 9.40 ? 444 THR B CA 1 ATOM 5904 C C . THR B 1 368 ? -32.242 -56.587 53.362 1.00 9.63 ? 444 THR B C 1 ATOM 5905 O O . THR B 1 368 ? -31.732 -55.465 53.420 1.00 10.53 ? 444 THR B O 1 ATOM 5906 C CB . THR B 1 368 ? -31.617 -58.037 51.411 1.00 9.43 ? 444 THR B CB 1 ATOM 5907 O OG1 . THR B 1 368 ? -30.551 -57.206 50.933 1.00 11.32 ? 444 THR B OG1 1 ATOM 5908 C CG2 . THR B 1 368 ? -32.185 -58.851 50.258 1.00 8.88 ? 444 THR B CG2 1 ATOM 5909 N N . VAL B 1 369 ? -32.436 -57.350 54.430 1.00 8.44 ? 445 VAL B N 1 ATOM 5910 C CA . VAL B 1 369 ? -32.127 -56.878 55.772 1.00 9.09 ? 445 VAL B CA 1 ATOM 5911 C C . VAL B 1 369 ? -31.350 -57.964 56.501 1.00 8.76 ? 445 VAL B C 1 ATOM 5912 O O . VAL B 1 369 ? -31.671 -59.150 56.376 1.00 9.02 ? 445 VAL B O 1 ATOM 5913 C CB . VAL B 1 369 ? -33.410 -56.515 56.547 1.00 9.93 ? 445 VAL B CB 1 ATOM 5914 C CG1 . VAL B 1 369 ? -33.071 -55.988 57.936 1.00 10.68 ? 445 VAL B CG1 1 ATOM 5915 C CG2 . VAL B 1 369 ? -34.227 -55.486 55.765 1.00 11.75 ? 445 VAL B CG2 1 ATOM 5916 N N . PHE B 1 370 ? -30.321 -57.553 57.239 1.00 9.54 ? 446 PHE B N 1 ATOM 5917 C CA . PHE B 1 370 ? -29.400 -58.475 57.895 1.00 10.30 ? 446 PHE B CA 1 ATOM 5918 C C . PHE B 1 370 ? -29.141 -58.042 59.330 1.00 10.10 ? 446 PHE B C 1 ATOM 5919 O O . PHE B 1 370 ? -29.074 -56.847 59.623 1.00 10.77 ? 446 PHE B O 1 ATOM 5920 C CB . PHE B 1 370 ? -28.061 -58.500 57.155 1.00 11.13 ? 446 PHE B CB 1 ATOM 5921 C CG . PHE B 1 370 ? -28.167 -58.919 55.723 1.00 11.51 ? 446 PHE B CG 1 ATOM 5922 C CD1 . PHE B 1 370 ? -28.577 -58.018 54.753 1.00 11.27 ? 446 PHE B CD1 1 ATOM 5923 C CD2 . PHE B 1 370 ? -27.840 -60.209 55.339 1.00 12.75 ? 446 PHE B CD2 1 ATOM 5924 C CE1 . PHE B 1 370 ? -28.673 -58.401 53.427 1.00 12.14 ? 446 PHE B CE1 1 ATOM 5925 C CE2 . PHE B 1 370 ? -27.934 -60.597 54.019 1.00 12.02 ? 446 PHE B CE2 1 ATOM 5926 C CZ . PHE B 1 370 ? -28.351 -59.691 53.061 1.00 12.33 ? 446 PHE B CZ 1 ATOM 5927 N N . CYS B 1 371 ? -28.970 -59.014 60.220 1.00 9.98 ? 447 CYS B N 1 ATOM 5928 C CA . CYS B 1 371 ? -28.637 -58.710 61.608 1.00 10.52 ? 447 CYS B CA 1 ATOM 5929 C C . CYS B 1 371 ? -27.392 -59.452 62.074 1.00 11.54 ? 447 CYS B C 1 ATOM 5930 O O . CYS B 1 371 ? -27.142 -60.588 61.667 1.00 13.22 ? 447 CYS B O 1 ATOM 5931 C CB . CYS B 1 371 ? -29.820 -59.014 62.529 1.00 11.84 ? 447 CYS B CB 1 ATOM 5932 S SG . CYS B 1 371 ? -31.137 -57.770 62.436 1.00 14.15 ? 447 CYS B SG 1 ATOM 5933 N N . GLY B 1 372 ? -26.614 -58.798 62.929 1.00 11.55 ? 448 GLY B N 1 ATOM 5934 C CA . GLY B 1 372 ? -25.377 -59.368 63.423 1.00 11.69 ? 448 GLY B CA 1 ATOM 5935 C C . GLY B 1 372 ? -25.615 -60.508 64.390 1.00 12.90 ? 448 GLY B C 1 ATOM 5936 O O . GLY B 1 372 ? -26.548 -60.467 65.192 1.00 14.88 ? 448 GLY B O 1 ATOM 5937 N N . VAL B 1 373 ? -24.767 -61.528 64.309 1.00 12.91 ? 449 VAL B N 1 ATOM 5938 C CA . VAL B 1 373 ? -24.834 -62.665 65.215 1.00 14.04 ? 449 VAL B CA 1 ATOM 5939 C C . VAL B 1 373 ? -23.438 -62.965 65.754 1.00 15.17 ? 449 VAL B C 1 ATOM 5940 O O . VAL B 1 373 ? -22.447 -62.445 65.247 1.00 15.04 ? 449 VAL B O 1 ATOM 5941 C CB . VAL B 1 373 ? -25.425 -63.911 64.534 1.00 16.50 ? 449 VAL B CB 1 ATOM 5942 C CG1 . VAL B 1 373 ? -26.909 -63.711 64.257 1.00 18.60 ? 449 VAL B CG1 1 ATOM 5943 C CG2 . VAL B 1 373 ? -24.673 -64.220 63.255 1.00 16.19 ? 449 VAL B CG2 1 ATOM 5944 N N A SER B 1 374 ? -23.369 -63.814 66.773 0.52 17.40 ? 450 SER B N 1 ATOM 5945 N N B SER B 1 374 ? -23.368 -63.799 66.785 0.48 17.22 ? 450 SER B N 1 ATOM 5946 C CA A SER B 1 374 ? -22.120 -64.062 67.488 0.52 19.93 ? 450 SER B CA 1 ATOM 5947 C CA B SER B 1 374 ? -22.108 -64.049 67.477 0.48 19.59 ? 450 SER B CA 1 ATOM 5948 C C A SER B 1 374 ? -21.130 -64.945 66.729 0.52 21.80 ? 450 SER B C 1 ATOM 5949 C C B SER B 1 374 ? -21.104 -64.836 66.640 0.48 21.68 ? 450 SER B C 1 ATOM 5950 O O A SER B 1 374 ? -19.958 -65.025 67.095 0.52 23.88 ? 450 SER B O 1 ATOM 5951 O O B SER B 1 374 ? -19.897 -64.742 66.860 0.48 24.25 ? 450 SER B O 1 ATOM 5952 C CB A SER B 1 374 ? -22.411 -64.668 68.862 0.52 20.98 ? 450 SER B CB 1 ATOM 5953 C CB B SER B 1 374 ? -22.362 -64.772 68.803 0.48 20.21 ? 450 SER B CB 1 ATOM 5954 O OG A SER B 1 374 ? -23.220 -63.799 69.633 0.52 22.11 ? 450 SER B OG 1 ATOM 5955 O OG B SER B 1 374 ? -22.937 -66.048 68.585 0.48 20.84 ? 450 SER B OG 1 ATOM 5956 N N . SER B 1 375 ? -21.602 -65.611 65.682 1.00 21.24 ? 451 SER B N 1 ATOM 5957 C CA . SER B 1 375 ? -20.735 -66.474 64.883 1.00 22.96 ? 451 SER B CA 1 ATOM 5958 C C . SER B 1 375 ? -20.614 -66.005 63.438 1.00 19.63 ? 451 SER B C 1 ATOM 5959 O O . SER B 1 375 ? -21.372 -65.151 62.987 1.00 18.35 ? 451 SER B O 1 ATOM 5960 C CB . SER B 1 375 ? -21.243 -67.916 64.918 1.00 27.21 ? 451 SER B CB 1 ATOM 5961 O OG . SER B 1 375 ? -22.531 -68.011 64.335 1.00 29.69 ? 451 SER B OG 1 ATOM 5962 N N . GLU B 1 376 ? -19.653 -66.568 62.715 1.00 18.70 ? 452 GLU B N 1 ATOM 5963 C CA . GLU B 1 376 ? -19.499 -66.255 61.304 1.00 17.89 ? 452 GLU B CA 1 ATOM 5964 C C . GLU B 1 376 ? -20.658 -66.852 60.518 1.00 16.93 ? 452 GLU B C 1 ATOM 5965 O O . GLU B 1 376 ? -21.166 -67.922 60.854 1.00 19.17 ? 452 GLU B O 1 ATOM 5966 C CB . GLU B 1 376 ? -18.159 -66.763 60.766 1.00 20.30 ? 452 GLU B CB 1 ATOM 5967 C CG . GLU B 1 376 ? -16.950 -66.051 61.359 1.00 24.60 ? 452 GLU B CG 1 ATOM 5968 C CD . GLU B 1 376 ? -15.679 -66.299 60.567 1.00 30.74 ? 452 GLU B CD 1 ATOM 5969 O OE1 . GLU B 1 376 ? -14.585 -65.976 61.077 1.00 34.43 ? 452 GLU B OE1 1 ATOM 5970 O OE2 . GLU B 1 376 ? -15.772 -66.818 59.436 1.00 33.27 ? 452 GLU B OE2 1 ATOM 5971 N N . VAL B 1 377 ? -21.083 -66.139 59.484 1.00 15.46 ? 453 VAL B N 1 ATOM 5972 C CA . VAL B 1 377 ? -22.200 -66.561 58.656 1.00 15.11 ? 453 VAL B CA 1 ATOM 5973 C C . VAL B 1 377 ? -21.777 -66.447 57.202 1.00 13.53 ? 453 VAL B C 1 ATOM 5974 O O . VAL B 1 377 ? -21.186 -65.442 56.809 1.00 14.28 ? 453 VAL B O 1 ATOM 5975 C CB . VAL B 1 377 ? -23.431 -65.660 58.899 1.00 16.50 ? 453 VAL B CB 1 ATOM 5976 C CG1 . VAL B 1 377 ? -24.622 -66.154 58.106 1.00 18.35 ? 453 VAL B CG1 1 ATOM 5977 C CG2 . VAL B 1 377 ? -23.758 -65.602 60.383 1.00 18.17 ? 453 VAL B CG2 1 ATOM 5978 N N . PRO B 1 378 ? -22.064 -67.482 56.396 1.00 14.33 ? 454 PRO B N 1 ATOM 5979 C CA . PRO B 1 378 ? -21.726 -67.437 54.971 1.00 14.16 ? 454 PRO B CA 1 ATOM 5980 C C . PRO B 1 378 ? -22.459 -66.308 54.261 1.00 13.38 ? 454 PRO B C 1 ATOM 5981 O O . PRO B 1 378 ? -23.553 -65.923 54.668 1.00 14.51 ? 454 PRO B O 1 ATOM 5982 C CB . PRO B 1 378 ? -22.251 -68.779 54.441 1.00 14.48 ? 454 PRO B CB 1 ATOM 5983 C CG . PRO B 1 378 ? -22.385 -69.652 55.637 1.00 15.70 ? 454 PRO B CG 1 ATOM 5984 C CD . PRO B 1 378 ? -22.730 -68.740 56.769 1.00 14.35 ? 454 PRO B CD 1 ATOM 5985 N N . GLY B 1 379 ? -21.856 -65.784 53.201 1.00 13.30 ? 455 GLY B N 1 ATOM 5986 C CA . GLY B 1 379 ? -22.545 -64.838 52.350 1.00 13.50 ? 455 GLY B CA 1 ATOM 5987 C C . GLY B 1 379 ? -23.267 -65.553 51.224 1.00 14.46 ? 455 GLY B C 1 ATOM 5988 O O . GLY B 1 379 ? -23.230 -66.781 51.119 1.00 15.64 ? 455 GLY B O 1 ATOM 5989 N N . TRP B 1 380 ? -23.944 -64.772 50.393 1.00 13.54 ? 456 TRP B N 1 ATOM 5990 C CA . TRP B 1 380 ? -24.556 -65.267 49.169 1.00 12.92 ? 456 TRP B CA 1 ATOM 5991 C C . TRP B 1 380 ? -24.878 -64.027 48.350 1.00 13.87 ? 456 TRP B C 1 ATOM 5992 O O . TRP B 1 380 ? -24.307 -62.965 48.584 1.00 16.33 ? 456 TRP B O 1 ATOM 5993 C CB . TRP B 1 380 ? -25.824 -66.076 49.470 1.00 12.10 ? 456 TRP B CB 1 ATOM 5994 C CG . TRP B 1 380 ? -26.216 -67.045 48.377 1.00 12.19 ? 456 TRP B CG 1 ATOM 5995 C CD1 . TRP B 1 380 ? -25.385 -67.651 47.475 1.00 12.31 ? 456 TRP B CD1 1 ATOM 5996 C CD2 . TRP B 1 380 ? -27.536 -67.536 48.097 1.00 12.74 ? 456 TRP B CD2 1 ATOM 5997 N NE1 . TRP B 1 380 ? -26.108 -68.480 46.648 1.00 12.70 ? 456 TRP B NE1 1 ATOM 5998 C CE2 . TRP B 1 380 ? -27.430 -68.424 47.007 1.00 12.25 ? 456 TRP B CE2 1 ATOM 5999 C CE3 . TRP B 1 380 ? -28.796 -67.303 48.658 1.00 12.42 ? 456 TRP B CE3 1 ATOM 6000 C CZ2 . TRP B 1 380 ? -28.539 -69.085 46.469 1.00 12.95 ? 456 TRP B CZ2 1 ATOM 6001 C CZ3 . TRP B 1 380 ? -29.896 -67.959 48.124 1.00 11.75 ? 456 TRP B CZ3 1 ATOM 6002 C CH2 . TRP B 1 380 ? -29.759 -68.841 47.040 1.00 13.09 ? 456 TRP B CH2 1 ATOM 6003 N N . SER B 1 381 ? -25.776 -64.149 47.386 1.00 12.54 ? 457 SER B N 1 ATOM 6004 C CA . SER B 1 381 ? -26.195 -62.980 46.629 1.00 11.71 ? 457 SER B CA 1 ATOM 6005 C C . SER B 1 381 ? -27.710 -62.960 46.540 1.00 11.96 ? 457 SER B C 1 ATOM 6006 O O . SER B 1 381 ? -28.308 -63.710 45.769 1.00 14.46 ? 457 SER B O 1 ATOM 6007 C CB . SER B 1 381 ? -25.562 -62.967 45.237 1.00 11.91 ? 457 SER B CB 1 ATOM 6008 O OG . SER B 1 381 ? -25.884 -61.770 44.547 1.00 12.70 ? 457 SER B OG 1 ATOM 6009 N N . TRP B 1 382 ? -28.328 -62.121 47.362 1.00 11.08 ? 458 TRP B N 1 ATOM 6010 C CA . TRP B 1 382 ? -29.778 -62.003 47.369 1.00 9.58 ? 458 TRP B CA 1 ATOM 6011 C C . TRP B 1 382 ? -30.182 -60.758 46.583 1.00 10.25 ? 458 TRP B C 1 ATOM 6012 O O . TRP B 1 382 ? -30.386 -59.682 47.153 1.00 10.61 ? 458 TRP B O 1 ATOM 6013 C CB . TRP B 1 382 ? -30.310 -61.921 48.801 1.00 10.51 ? 458 TRP B CB 1 ATOM 6014 C CG . TRP B 1 382 ? -30.157 -63.171 49.651 1.00 10.58 ? 458 TRP B CG 1 ATOM 6015 C CD1 . TRP B 1 382 ? -31.063 -64.188 49.787 1.00 11.52 ? 458 TRP B CD1 1 ATOM 6016 C CD2 . TRP B 1 382 ? -29.062 -63.495 50.521 1.00 11.02 ? 458 TRP B CD2 1 ATOM 6017 N NE1 . TRP B 1 382 ? -30.591 -65.129 50.675 1.00 10.84 ? 458 TRP B NE1 1 ATOM 6018 C CE2 . TRP B 1 382 ? -29.367 -64.726 51.141 1.00 10.84 ? 458 TRP B CE2 1 ATOM 6019 C CE3 . TRP B 1 382 ? -27.854 -62.863 50.837 1.00 11.30 ? 458 TRP B CE3 1 ATOM 6020 C CZ2 . TRP B 1 382 ? -28.503 -65.343 52.050 1.00 10.79 ? 458 TRP B CZ2 1 ATOM 6021 C CZ3 . TRP B 1 382 ? -26.998 -63.475 51.742 1.00 10.97 ? 458 TRP B CZ3 1 ATOM 6022 C CH2 . TRP B 1 382 ? -27.327 -64.703 52.337 1.00 10.72 ? 458 TRP B CH2 1 ATOM 6023 N N . ASP B 1 383 ? -30.298 -60.910 45.269 1.00 10.50 ? 459 ASP B N 1 ATOM 6024 C CA . ASP B 1 383 ? -30.569 -59.776 44.394 1.00 9.63 ? 459 ASP B CA 1 ATOM 6025 C C . ASP B 1 383 ? -32.057 -59.445 44.327 1.00 10.56 ? 459 ASP B C 1 ATOM 6026 O O . ASP B 1 383 ? -32.900 -60.243 44.738 1.00 11.07 ? 459 ASP B O 1 ATOM 6027 C CB . ASP B 1 383 ? -30.017 -60.046 42.992 1.00 10.03 ? 459 ASP B CB 1 ATOM 6028 C CG . ASP B 1 383 ? -30.604 -61.296 42.364 1.00 12.06 ? 459 ASP B CG 1 ATOM 6029 O OD1 . ASP B 1 383 ? -31.406 -61.166 41.415 1.00 14.10 ? 459 ASP B OD1 1 ATOM 6030 O OD2 . ASP B 1 383 ? -30.262 -62.410 42.819 1.00 13.03 ? 459 ASP B OD2 1 ATOM 6031 N N . ASP B 1 384 ? -32.370 -58.263 43.806 1.00 10.26 ? 460 ASP B N 1 ATOM 6032 C CA . ASP B 1 384 ? -33.752 -57.810 43.701 1.00 11.13 ? 460 ASP B CA 1 ATOM 6033 C C . ASP B 1 384 ? -34.624 -58.846 42.998 1.00 11.12 ? 460 ASP B C 1 ATOM 6034 O O . ASP B 1 384 ? -35.666 -59.250 43.520 1.00 11.00 ? 460 ASP B O 1 ATOM 6035 C CB . ASP B 1 384 ? -33.829 -56.482 42.952 1.00 11.31 ? 460 ASP B CB 1 ATOM 6036 C CG . ASP B 1 384 ? -35.245 -56.121 42.574 1.00 11.57 ? 460 ASP B CG 1 ATOM 6037 O OD1 . ASP B 1 384 ? -36.021 -55.729 43.470 1.00 12.28 ? 460 ASP B OD1 1 ATOM 6038 O OD2 . ASP B 1 384 ? -35.588 -56.247 41.382 1.00 12.69 ? 460 ASP B OD2 1 ATOM 6039 N N . GLY B 1 385 ? -34.205 -59.254 41.804 1.00 11.07 ? 461 GLY B N 1 ATOM 6040 C CA . GLY B 1 385 ? -34.843 -60.359 41.109 1.00 10.22 ? 461 GLY B CA 1 ATOM 6041 C C . GLY B 1 385 ? -35.929 -60.023 40.105 1.00 9.80 ? 461 GLY B C 1 ATOM 6042 O O . GLY B 1 385 ? -36.469 -60.923 39.462 1.00 11.83 ? 461 GLY B O 1 ATOM 6043 N N . ALA B 1 386 ? -36.264 -58.745 39.958 1.00 10.48 ? 462 ALA B N 1 ATOM 6044 C CA . ALA B 1 386 ? -37.268 -58.367 38.968 1.00 10.52 ? 462 ALA B CA 1 ATOM 6045 C C . ALA B 1 386 ? -36.713 -58.484 37.552 1.00 10.86 ? 462 ALA B C 1 ATOM 6046 O O . ALA B 1 386 ? -35.528 -58.244 37.306 1.00 11.73 ? 462 ALA B O 1 ATOM 6047 C CB . ALA B 1 386 ? -37.792 -56.961 39.223 1.00 10.63 ? 462 ALA B CB 1 ATOM 6048 N N . ILE B 1 387 ? -37.586 -58.863 36.627 1.00 10.81 ? 463 ILE B N 1 ATOM 6049 C CA . ILE B 1 387 ? -37.222 -59.004 35.226 1.00 12.62 ? 463 ILE B CA 1 ATOM 6050 C C . ILE B 1 387 ? -37.678 -57.772 34.455 1.00 12.75 ? 463 ILE B C 1 ATOM 6051 O O . ILE B 1 387 ? -38.869 -57.591 34.207 1.00 13.01 ? 463 ILE B O 1 ATOM 6052 C CB . ILE B 1 387 ? -37.859 -60.266 34.617 1.00 14.54 ? 463 ILE B CB 1 ATOM 6053 C CG1 . ILE B 1 387 ? -37.450 -61.504 35.420 1.00 16.93 ? 463 ILE B CG1 1 ATOM 6054 C CG2 . ILE B 1 387 ? -37.452 -60.417 33.161 1.00 15.76 ? 463 ILE B CG2 1 ATOM 6055 C CD1 . ILE B 1 387 ? -38.251 -62.749 35.083 1.00 19.11 ? 463 ILE B CD1 1 ATOM 6056 N N . LEU B 1 388 ? -36.724 -56.917 34.101 1.00 11.81 ? 464 LEU B N 1 ATOM 6057 C CA . LEU B 1 388 ? -37.016 -55.690 33.374 1.00 12.53 ? 464 LEU B CA 1 ATOM 6058 C C . LEU B 1 388 ? -36.707 -55.871 31.893 1.00 13.86 ? 464 LEU B C 1 ATOM 6059 O O . LEU B 1 388 ? -35.911 -56.737 31.526 1.00 15.70 ? 464 LEU B O 1 ATOM 6060 C CB . LEU B 1 388 ? -36.200 -54.525 33.942 1.00 12.61 ? 464 LEU B CB 1 ATOM 6061 C CG . LEU B 1 388 ? -36.812 -53.770 35.126 1.00 11.71 ? 464 LEU B CG 1 ATOM 6062 C CD1 . LEU B 1 388 ? -37.133 -54.709 36.289 1.00 12.78 ? 464 LEU B CD1 1 ATOM 6063 C CD2 . LEU B 1 388 ? -35.892 -52.638 35.577 1.00 12.68 ? 464 LEU B CD2 1 ATOM 6064 N N . PRO B 1 389 ? -37.329 -55.052 31.032 1.00 13.86 ? 465 PRO B N 1 ATOM 6065 C CA . PRO B 1 389 ? -38.288 -53.988 31.362 1.00 12.50 ? 465 PRO B CA 1 ATOM 6066 C C . PRO B 1 389 ? -39.651 -54.529 31.788 1.00 13.18 ? 465 PRO B C 1 ATOM 6067 O O . PRO B 1 389 ? -39.944 -55.708 31.581 1.00 13.12 ? 465 PRO B O 1 ATOM 6068 C CB . PRO B 1 389 ? -38.440 -53.225 30.038 1.00 14.43 ? 465 PRO B CB 1 ATOM 6069 C CG . PRO B 1 389 ? -37.311 -53.687 29.174 1.00 17.62 ? 465 PRO B CG 1 ATOM 6070 C CD . PRO B 1 389 ? -37.019 -55.081 29.595 1.00 15.30 ? 465 PRO B CD 1 ATOM 6071 N N . PHE B 1 390 ? -40.471 -53.658 32.369 1.00 11.99 ? 466 PHE B N 1 ATOM 6072 C CA . PHE B 1 390 ? -41.837 -53.998 32.769 1.00 11.66 ? 466 PHE B CA 1 ATOM 6073 C C . PHE B 1 390 ? -42.852 -53.634 31.675 1.00 12.69 ? 466 PHE B C 1 ATOM 6074 O O . PHE B 1 390 ? -42.513 -52.969 30.694 1.00 13.23 ? 466 PHE B O 1 ATOM 6075 C CB . PHE B 1 390 ? -42.201 -53.275 34.075 1.00 12.31 ? 466 PHE B CB 1 ATOM 6076 C CG . PHE B 1 390 ? -41.920 -54.074 35.322 1.00 12.15 ? 466 PHE B CG 1 ATOM 6077 C CD1 . PHE B 1 390 ? -41.020 -55.126 35.311 1.00 10.97 ? 466 PHE B CD1 1 ATOM 6078 C CD2 . PHE B 1 390 ? -42.560 -53.760 36.512 1.00 12.03 ? 466 PHE B CD2 1 ATOM 6079 C CE1 . PHE B 1 390 ? -40.770 -55.857 36.466 1.00 10.86 ? 466 PHE B CE1 1 ATOM 6080 C CE2 . PHE B 1 390 ? -42.316 -54.484 37.668 1.00 12.98 ? 466 PHE B CE2 1 ATOM 6081 C CZ . PHE B 1 390 ? -41.417 -55.531 37.646 1.00 12.61 ? 466 PHE B CZ 1 ATOM 6082 N N . ASP B 1 391 ? -44.098 -54.068 31.854 1.00 12.69 ? 467 ASP B N 1 ATOM 6083 C CA . ASP B 1 391 ? -45.163 -53.779 30.892 1.00 14.19 ? 467 ASP B CA 1 ATOM 6084 C C . ASP B 1 391 ? -45.241 -52.287 30.548 1.00 13.69 ? 467 ASP B C 1 ATOM 6085 O O . ASP B 1 391 ? -45.376 -51.912 29.383 1.00 14.67 ? 467 ASP B O 1 ATOM 6086 C CB . ASP B 1 391 ? -46.528 -54.240 31.426 1.00 16.11 ? 467 ASP B CB 1 ATOM 6087 C CG . ASP B 1 391 ? -46.594 -55.740 31.692 1.00 19.80 ? 467 ASP B CG 1 ATOM 6088 O OD1 . ASP B 1 391 ? -45.727 -56.495 31.200 1.00 21.17 ? 467 ASP B OD1 1 ATOM 6089 O OD2 . ASP B 1 391 ? -47.537 -56.165 32.397 1.00 20.94 ? 467 ASP B OD2 1 ATOM 6090 N N . ILE B 1 392 ? -45.162 -51.438 31.568 1.00 13.09 ? 468 ILE B N 1 ATOM 6091 C CA . ILE B 1 392 ? -45.351 -49.999 31.386 1.00 12.66 ? 468 ILE B CA 1 ATOM 6092 C C . ILE B 1 392 ? -44.236 -49.388 30.534 1.00 14.28 ? 468 ILE B C 1 ATOM 6093 O O . ILE B 1 392 ? -44.397 -48.309 29.957 1.00 15.04 ? 468 ILE B O 1 ATOM 6094 C CB . ILE B 1 392 ? -45.447 -49.275 32.754 1.00 13.14 ? 468 ILE B CB 1 ATOM 6095 C CG1 . ILE B 1 392 ? -46.008 -47.860 32.591 1.00 13.03 ? 468 ILE B CG1 1 ATOM 6096 C CG2 . ILE B 1 392 ? -44.096 -49.257 33.456 1.00 14.20 ? 468 ILE B CG2 1 ATOM 6097 C CD1 . ILE B 1 392 ? -47.445 -47.828 32.128 1.00 14.10 ? 468 ILE B CD1 1 ATOM 6098 N N . ASP B 1 393 ? -43.115 -50.098 30.441 1.00 13.63 ? 469 ASP B N 1 ATOM 6099 C CA . ASP B 1 393 ? -41.956 -49.625 29.690 1.00 15.19 ? 469 ASP B CA 1 ATOM 6100 C C . ASP B 1 393 ? -42.108 -49.843 28.190 1.00 18.19 ? 469 ASP B C 1 ATOM 6101 O O . ASP B 1 393 ? -41.289 -49.368 27.402 1.00 20.13 ? 469 ASP B O 1 ATOM 6102 C CB . ASP B 1 393 ? -40.691 -50.318 30.192 1.00 14.67 ? 469 ASP B CB 1 ATOM 6103 C CG . ASP B 1 393 ? -40.390 -49.993 31.639 1.00 13.06 ? 469 ASP B CG 1 ATOM 6104 O OD1 . ASP B 1 393 ? -39.950 -50.898 32.384 1.00 13.76 ? 469 ASP B OD1 1 ATOM 6105 O OD2 . ASP B 1 393 ? -40.605 -48.829 32.037 1.00 13.96 ? 469 ASP B OD2 1 ATOM 6106 N N . LYS B 1 394 ? -43.155 -50.562 27.799 1.00 19.81 ? 470 LYS B N 1 ATOM 6107 C CA . LYS B 1 394 ? -43.428 -50.809 26.388 1.00 26.64 ? 470 LYS B CA 1 ATOM 6108 C C . LYS B 1 394 ? -44.566 -49.935 25.873 1.00 31.35 ? 470 LYS B C 1 ATOM 6109 O O . LYS B 1 394 ? -45.019 -49.019 26.558 1.00 35.71 ? 470 LYS B O 1 ATOM 6110 C CB . LYS B 1 394 ? -43.755 -52.283 26.149 1.00 30.45 ? 470 LYS B CB 1 ATOM 6111 C CG . LYS B 1 394 ? -42.548 -53.205 26.163 1.00 35.22 ? 470 LYS B CG 1 ATOM 6112 C CD . LYS B 1 394 ? -42.352 -53.852 27.522 1.00 38.74 ? 470 LYS B CD 1 ATOM 6113 C CE . LYS B 1 394 ? -41.361 -55.003 27.437 1.00 41.58 ? 470 LYS B CE 1 ATOM 6114 N NZ . LYS B 1 394 ? -41.323 -55.797 28.696 1.00 42.99 ? 470 LYS B NZ 1 HETATM 6115 CA CA . CA C 2 . ? -34.152 -23.327 15.830 1.00 11.92 ? 601 CA A CA 1 HETATM 6116 C C1 . NAG D 3 . ? -38.015 -6.682 39.427 1.00 24.09 ? 801 NAG A C1 1 HETATM 6117 C C2 . NAG D 3 . ? -37.607 -6.518 40.891 1.00 25.10 ? 801 NAG A C2 1 HETATM 6118 C C3 . NAG D 3 . ? -38.224 -7.588 41.789 1.00 26.85 ? 801 NAG A C3 1 HETATM 6119 C C4 . NAG D 3 . ? -39.699 -7.833 41.483 1.00 28.27 ? 801 NAG A C4 1 HETATM 6120 C C5 . NAG D 3 . ? -39.939 -7.903 39.980 1.00 28.31 ? 801 NAG A C5 1 HETATM 6121 C C6 . NAG D 3 . ? -41.424 -8.025 39.659 1.00 32.32 ? 801 NAG A C6 1 HETATM 6122 C C7 . NAG D 3 . ? -35.448 -5.510 41.391 1.00 26.99 ? 801 NAG A C7 1 HETATM 6123 C C8 . NAG D 3 . ? -33.962 -5.703 41.486 1.00 27.42 ? 801 NAG A C8 1 HETATM 6124 N N2 . NAG D 3 . ? -36.164 -6.569 41.022 1.00 25.91 ? 801 NAG A N2 1 HETATM 6125 O O3 . NAG D 3 . ? -38.076 -7.207 43.139 1.00 27.93 ? 801 NAG A O3 1 HETATM 6126 O O4 . NAG D 3 . ? -40.084 -9.060 42.065 1.00 29.91 ? 801 NAG A O4 1 HETATM 6127 O O5 . NAG D 3 . ? -39.423 -6.750 39.354 1.00 24.86 ? 801 NAG A O5 1 HETATM 6128 O O6 . NAG D 3 . ? -42.108 -6.906 40.178 1.00 35.26 ? 801 NAG A O6 1 HETATM 6129 O O7 . NAG D 3 . ? -35.950 -4.416 41.644 1.00 28.70 ? 801 NAG A O7 1 HETATM 6130 C C1 . NAG E 3 . ? -41.043 -8.863 43.121 1.00 35.28 ? 802 NAG A C1 1 HETATM 6131 C C2 . NAG E 3 . ? -41.782 -10.182 43.327 1.00 37.85 ? 802 NAG A C2 1 HETATM 6132 C C3 . NAG E 3 . ? -42.775 -10.097 44.478 1.00 39.83 ? 802 NAG A C3 1 HETATM 6133 C C4 . NAG E 3 . ? -42.107 -9.509 45.713 1.00 40.83 ? 802 NAG A C4 1 HETATM 6134 C C5 . NAG E 3 . ? -41.376 -8.214 45.372 1.00 40.81 ? 802 NAG A C5 1 HETATM 6135 C C6 . NAG E 3 . ? -40.638 -7.672 46.590 1.00 42.73 ? 802 NAG A C6 1 HETATM 6136 C C7 . NAG E 3 . ? -41.935 -11.499 41.297 1.00 38.75 ? 802 NAG A C7 1 HETATM 6137 C C8 . NAG E 3 . ? -42.718 -11.829 40.062 1.00 38.97 ? 802 NAG A C8 1 HETATM 6138 N N2 . NAG E 3 . ? -42.456 -10.577 42.103 1.00 38.76 ? 802 NAG A N2 1 HETATM 6139 O O3 . NAG E 3 . ? -43.263 -11.386 44.772 1.00 40.64 ? 802 NAG A O3 1 HETATM 6140 O O4 . NAG E 3 . ? -43.083 -9.256 46.700 1.00 41.65 ? 802 NAG A O4 1 HETATM 6141 O O5 . NAG E 3 . ? -40.450 -8.425 44.326 1.00 37.79 ? 802 NAG A O5 1 HETATM 6142 O O6 . NAG E 3 . ? -39.658 -8.602 46.997 1.00 43.99 ? 802 NAG A O6 1 HETATM 6143 O O7 . NAG E 3 . ? -40.868 -12.065 41.527 1.00 38.96 ? 802 NAG A O7 1 HETATM 6144 C C1 . NAG F 3 . ? -9.721 -16.469 -3.192 1.00 24.22 ? 803 NAG A C1 1 HETATM 6145 C C2 . NAG F 3 . ? -8.671 -15.856 -4.120 1.00 25.22 ? 803 NAG A C2 1 HETATM 6146 C C3 . NAG F 3 . ? -9.040 -16.043 -5.590 1.00 28.82 ? 803 NAG A C3 1 HETATM 6147 C C4 . NAG F 3 . ? -9.479 -17.470 -5.894 1.00 31.19 ? 803 NAG A C4 1 HETATM 6148 C C5 . NAG F 3 . ? -10.404 -18.029 -4.818 1.00 30.51 ? 803 NAG A C5 1 HETATM 6149 C C6 . NAG F 3 . ? -10.627 -19.522 -5.030 1.00 34.02 ? 803 NAG A C6 1 HETATM 6150 C C7 . NAG F 3 . ? -7.431 -13.989 -3.191 1.00 26.12 ? 803 NAG A C7 1 HETATM 6151 C C8 . NAG F 3 . ? -7.354 -12.509 -2.958 1.00 26.56 ? 803 NAG A C8 1 HETATM 6152 N N2 . NAG F 3 . ? -8.499 -14.442 -3.841 1.00 25.23 ? 803 NAG A N2 1 HETATM 6153 O O3 . NAG F 3 . ? -7.937 -15.709 -6.406 1.00 29.79 ? 803 NAG A O3 1 HETATM 6154 O O4 . NAG F 3 . ? -10.175 -17.467 -7.122 1.00 35.25 ? 803 NAG A O4 1 HETATM 6155 O O5 . NAG F 3 . ? -9.867 -17.830 -3.528 1.00 26.74 ? 803 NAG A O5 1 HETATM 6156 O O6 . NAG F 3 . ? -9.385 -20.188 -4.993 1.00 36.68 ? 803 NAG A O6 1 HETATM 6157 O O7 . NAG F 3 . ? -6.538 -14.729 -2.784 1.00 28.57 ? 803 NAG A O7 1 HETATM 6158 C C1 . NAG G 3 . ? -9.466 -18.196 -8.138 1.00 39.52 ? 804 NAG A C1 1 HETATM 6159 C C2 . NAG G 3 . ? -10.230 -17.999 -9.441 1.00 42.97 ? 804 NAG A C2 1 HETATM 6160 C C3 . NAG G 3 . ? -9.615 -18.849 -10.547 1.00 44.37 ? 804 NAG A C3 1 HETATM 6161 C C4 . NAG G 3 . ? -8.111 -18.593 -10.611 1.00 44.37 ? 804 NAG A C4 1 HETATM 6162 C C5 . NAG G 3 . ? -7.445 -18.588 -9.235 1.00 43.10 ? 804 NAG A C5 1 HETATM 6163 C C6 . NAG G 3 . ? -6.002 -18.102 -9.333 1.00 44.45 ? 804 NAG A C6 1 HETATM 6164 C C7 . NAG G 3 . ? -12.283 -19.316 -8.834 1.00 47.87 ? 804 NAG A C7 1 HETATM 6165 C C8 . NAG G 3 . ? -11.479 -20.547 -8.521 1.00 48.28 ? 804 NAG A C8 1 HETATM 6166 N N2 . NAG G 3 . ? -11.663 -18.205 -9.250 1.00 45.09 ? 804 NAG A N2 1 HETATM 6167 O O3 . NAG G 3 . ? -10.208 -18.529 -11.786 1.00 45.18 ? 804 NAG A O3 1 HETATM 6168 O O4 . NAG G 3 . ? -7.510 -19.581 -11.420 1.00 45.99 ? 804 NAG A O4 1 HETATM 6169 O O5 . NAG G 3 . ? -8.140 -17.760 -8.326 1.00 40.36 ? 804 NAG A O5 1 HETATM 6170 O O6 . NAG G 3 . ? -5.985 -16.793 -9.857 1.00 45.15 ? 804 NAG A O6 1 HETATM 6171 O O7 . NAG G 3 . ? -13.506 -19.353 -8.708 1.00 49.50 ? 804 NAG A O7 1 HETATM 6172 C C1 . BMA H 4 . ? -7.086 -18.979 -12.659 1.00 47.21 ? 805 BMA A C1 1 HETATM 6173 C C2 . BMA H 4 . ? -6.158 -20.098 -13.113 1.00 48.62 ? 805 BMA A C2 1 HETATM 6174 C C3 . BMA H 4 . ? -5.259 -19.601 -14.235 1.00 48.98 ? 805 BMA A C3 1 HETATM 6175 C C4 . BMA H 4 . ? -6.083 -18.911 -15.318 1.00 47.40 ? 805 BMA A C4 1 HETATM 6176 C C5 . BMA H 4 . ? -7.077 -17.913 -14.727 1.00 44.84 ? 805 BMA A C5 1 HETATM 6177 C C6 . BMA H 4 . ? -7.976 -17.365 -15.825 1.00 40.71 ? 805 BMA A C6 1 HETATM 6178 O O2 . BMA H 4 . ? -6.920 -21.196 -13.560 1.00 48.94 ? 805 BMA A O2 1 HETATM 6179 O O3 . BMA H 4 . ? -4.568 -20.694 -14.797 1.00 50.17 ? 805 BMA A O3 1 HETATM 6180 O O4 . BMA H 4 . ? -5.217 -18.239 -16.206 1.00 47.49 ? 805 BMA A O4 1 HETATM 6181 O O5 . BMA H 4 . ? -7.870 -18.552 -13.751 1.00 45.96 ? 805 BMA A O5 1 HETATM 6182 O O6 . BMA H 4 . ? -8.212 -18.413 -16.737 1.00 35.79 ? 805 BMA A O6 1 HETATM 6183 C C1 . GOL I 5 . ? -10.519 2.528 19.588 1.00 12.65 ? 1 GOL A C1 1 HETATM 6184 O O1 . GOL I 5 . ? -10.204 2.128 20.910 1.00 12.70 ? 1 GOL A O1 1 HETATM 6185 C C2 . GOL I 5 . ? -9.633 1.822 18.559 1.00 14.06 ? 1 GOL A C2 1 HETATM 6186 O O2 . GOL I 5 . ? -9.647 0.428 18.772 1.00 13.50 ? 1 GOL A O2 1 HETATM 6187 C C3 . GOL I 5 . ? -10.163 2.102 17.153 1.00 12.90 ? 1 GOL A C3 1 HETATM 6188 O O3 . GOL I 5 . ? -9.345 1.469 16.183 1.00 12.88 ? 1 GOL A O3 1 HETATM 6189 C C1 . GOL J 5 . ? -1.326 -17.076 26.527 1.00 23.43 ? 472 GOL A C1 1 HETATM 6190 O O1 . GOL J 5 . ? -0.547 -16.508 27.560 1.00 26.59 ? 472 GOL A O1 1 HETATM 6191 C C2 . GOL J 5 . ? -2.712 -17.433 27.055 1.00 21.56 ? 472 GOL A C2 1 HETATM 6192 O O2 . GOL J 5 . ? -2.610 -18.393 28.089 1.00 21.37 ? 472 GOL A O2 1 HETATM 6193 C C3 . GOL J 5 . ? -3.408 -16.185 27.588 1.00 19.11 ? 472 GOL A C3 1 HETATM 6194 O O3 . GOL J 5 . ? -4.675 -16.554 28.093 1.00 18.55 ? 472 GOL A O3 1 HETATM 6195 C C1 . GOL K 5 . ? -32.195 -23.834 39.455 1.00 27.36 ? 473 GOL A C1 1 HETATM 6196 O O1 . GOL K 5 . ? -33.413 -23.152 39.656 1.00 28.06 ? 473 GOL A O1 1 HETATM 6197 C C2 . GOL K 5 . ? -32.008 -24.867 40.560 1.00 26.38 ? 473 GOL A C2 1 HETATM 6198 O O2 . GOL K 5 . ? -31.894 -24.199 41.796 1.00 26.58 ? 473 GOL A O2 1 HETATM 6199 C C3 . GOL K 5 . ? -33.216 -25.795 40.608 1.00 26.98 ? 473 GOL A C3 1 HETATM 6200 O O3 . GOL K 5 . ? -33.028 -26.753 41.628 1.00 28.88 ? 473 GOL A O3 1 HETATM 6201 CA CA . CA L 2 . ? -18.263 -38.807 48.585 1.00 10.67 ? 601 CA B CA 1 HETATM 6202 C C1 . NAG M 3 . ? -16.854 -55.721 72.386 1.00 22.77 ? 801 NAG B C1 1 HETATM 6203 C C2 . NAG M 3 . ? -17.278 -55.751 73.855 1.00 22.52 ? 801 NAG B C2 1 HETATM 6204 C C3 . NAG M 3 . ? -16.462 -54.771 74.694 1.00 25.15 ? 801 NAG B C3 1 HETATM 6205 C C4 . NAG M 3 . ? -14.970 -54.859 74.389 1.00 27.44 ? 801 NAG B C4 1 HETATM 6206 C C5 . NAG M 3 . ? -14.739 -54.863 72.882 1.00 25.54 ? 801 NAG B C5 1 HETATM 6207 C C6 . NAG M 3 . ? -13.265 -55.001 72.520 1.00 28.35 ? 801 NAG B C6 1 HETATM 6208 C C7 . NAG M 3 . ? -19.585 -56.341 74.387 1.00 25.66 ? 801 NAG B C7 1 HETATM 6209 C C8 . NAG M 3 . ? -21.014 -55.886 74.462 1.00 25.27 ? 801 NAG B C8 1 HETATM 6210 N N2 . NAG M 3 . ? -18.691 -55.441 73.978 1.00 23.26 ? 801 NAG B N2 1 HETATM 6211 O O3 . NAG M 3 . ? -16.695 -55.022 76.062 1.00 25.49 ? 801 NAG B O3 1 HETATM 6212 O O4 . NAG M 3 . ? -14.321 -53.747 74.967 1.00 30.04 ? 801 NAG B O4 1 HETATM 6213 O O5 . NAG M 3 . ? -15.458 -55.928 72.305 1.00 23.41 ? 801 NAG B O5 1 HETATM 6214 O O6 . NAG M 3 . ? -12.749 -56.181 73.095 1.00 32.12 ? 801 NAG B O6 1 HETATM 6215 O O7 . NAG M 3 . ? -19.287 -57.494 74.692 1.00 27.72 ? 801 NAG B O7 1 HETATM 6216 C C1 . NAG N 3 . ? -13.231 -54.168 75.809 1.00 33.67 ? 802 NAG B C1 1 HETATM 6217 C C2 . NAG N 3 . ? -12.340 -52.955 76.058 1.00 34.82 ? 802 NAG B C2 1 HETATM 6218 C C3 . NAG N 3 . ? -11.214 -53.251 77.039 1.00 36.88 ? 802 NAG B C3 1 HETATM 6219 C C4 . NAG N 3 . ? -11.693 -54.058 78.240 1.00 38.55 ? 802 NAG B C4 1 HETATM 6220 C C5 . NAG N 3 . ? -12.584 -55.220 77.811 1.00 38.57 ? 802 NAG B C5 1 HETATM 6221 C C6 . NAG N 3 . ? -13.142 -55.972 79.016 1.00 41.30 ? 802 NAG B C6 1 HETATM 6222 C C7 . NAG N 3 . ? -12.262 -51.447 74.154 1.00 35.13 ? 802 NAG B C7 1 HETATM 6223 C C8 . NAG N 3 . ? -11.582 -51.081 72.868 1.00 35.15 ? 802 NAG B C8 1 HETATM 6224 N N2 . NAG N 3 . ? -11.772 -52.499 74.804 1.00 34.11 ? 802 NAG B N2 1 HETATM 6225 O O3 . NAG N 3 . ? -10.678 -52.025 77.485 1.00 38.06 ? 802 NAG B O3 1 HETATM 6226 O O4 . NAG N 3 . ? -10.567 -54.550 78.934 1.00 40.05 ? 802 NAG B O4 1 HETATM 6227 O O5 . NAG N 3 . ? -13.657 -54.743 77.027 1.00 35.79 ? 802 NAG B O5 1 HETATM 6228 O O6 . NAG N 3 . ? -12.114 -56.702 79.649 1.00 43.69 ? 802 NAG B O6 1 HETATM 6229 O O7 . NAG N 3 . ? -13.221 -50.791 74.559 1.00 35.17 ? 802 NAG B O7 1 HETATM 6230 C C1 . NAG O 3 . ? -43.229 -41.188 30.147 1.00 21.12 ? 803 NAG B C1 1 HETATM 6231 C C2 . NAG O 3 . ? -44.311 -41.623 29.156 1.00 22.17 ? 803 NAG B C2 1 HETATM 6232 C C3 . NAG O 3 . ? -43.844 -41.444 27.713 1.00 24.61 ? 803 NAG B C3 1 HETATM 6233 C C4 . NAG O 3 . ? -43.264 -40.054 27.482 1.00 26.68 ? 803 NAG B C4 1 HETATM 6234 C C5 . NAG O 3 . ? -42.280 -39.681 28.584 1.00 26.54 ? 803 NAG B C5 1 HETATM 6235 C C6 . NAG O 3 . ? -41.833 -38.229 28.448 1.00 29.45 ? 803 NAG B C6 1 HETATM 6236 C C7 . NAG O 3 . ? -45.814 -43.351 29.982 1.00 24.49 ? 803 NAG B C7 1 HETATM 6237 C C8 . NAG O 3 . ? -46.081 -44.821 30.120 1.00 25.41 ? 803 NAG B C8 1 HETATM 6238 N N2 . NAG O 3 . ? -44.688 -43.008 29.361 1.00 23.27 ? 803 NAG B N2 1 HETATM 6239 O O3 . NAG O 3 . ? -44.918 -41.674 26.824 1.00 26.32 ? 803 NAG B O3 1 HETATM 6240 O O4 . NAG O 3 . ? -42.599 -40.029 26.236 1.00 31.24 ? 803 NAG B O4 1 HETATM 6241 O O5 . NAG O 3 . ? -42.872 -39.854 29.854 1.00 23.55 ? 803 NAG B O5 1 HETATM 6242 O O6 . NAG O 3 . ? -42.953 -37.376 28.548 1.00 32.22 ? 803 NAG B O6 1 HETATM 6243 O O7 . NAG O 3 . ? -46.609 -42.530 30.437 1.00 26.12 ? 803 NAG B O7 1 HETATM 6244 C C1 . NAG P 3 . ? -43.150 -39.000 25.390 1.00 34.83 ? 804 NAG B C1 1 HETATM 6245 C C2 . NAG P 3 . ? -42.132 -38.700 24.287 1.00 39.24 ? 804 NAG B C2 1 HETATM 6246 C C3 . NAG P 3 . ? -42.706 -38.122 22.993 1.00 40.49 ? 804 NAG B C3 1 HETATM 6247 C C4 . NAG P 3 . ? -44.142 -38.536 22.699 1.00 38.86 ? 804 NAG B C4 1 HETATM 6248 C C5 . NAG P 3 . ? -44.967 -38.550 23.978 1.00 36.30 ? 804 NAG B C5 1 HETATM 6249 C C6 . NAG P 3 . ? -46.410 -38.973 23.729 1.00 36.14 ? 804 NAG B C6 1 HETATM 6250 C C7 . NAG P 3 . ? -39.887 -38.142 25.010 1.00 45.05 ? 804 NAG B C7 1 HETATM 6251 C C8 . NAG P 3 . ? -38.962 -37.090 25.547 1.00 46.37 ? 804 NAG B C8 1 HETATM 6252 N N2 . NAG P 3 . ? -41.146 -37.771 24.804 1.00 42.28 ? 804 NAG B N2 1 HETATM 6253 O O3 . NAG P 3 . ? -41.877 -38.502 21.916 1.00 42.57 ? 804 NAG B O3 1 HETATM 6254 O O4 . NAG P 3 . ? -44.666 -37.583 21.800 1.00 39.23 ? 804 NAG B O4 1 HETATM 6255 O O5 . NAG P 3 . ? -44.382 -39.459 24.882 1.00 33.92 ? 804 NAG B O5 1 HETATM 6256 O O6 . NAG P 3 . ? -46.431 -40.324 23.328 1.00 36.92 ? 804 NAG B O6 1 HETATM 6257 O O7 . NAG P 3 . ? -39.481 -39.282 24.782 1.00 45.75 ? 804 NAG B O7 1 HETATM 6258 C C1 . BMA Q 4 . ? -44.899 -38.034 20.454 1.00 39.05 ? 805 BMA B C1 1 HETATM 6259 C C2 . BMA Q 4 . ? -45.743 -36.810 20.128 1.00 40.17 ? 805 BMA B C2 1 HETATM 6260 C C3 . BMA Q 4 . ? -46.532 -37.027 18.847 1.00 40.52 ? 805 BMA B C3 1 HETATM 6261 C C4 . BMA Q 4 . ? -45.594 -37.488 17.738 1.00 39.48 ? 805 BMA B C4 1 HETATM 6262 C C5 . BMA Q 4 . ? -44.737 -38.659 18.210 1.00 37.33 ? 805 BMA B C5 1 HETATM 6263 C C6 . BMA Q 4 . ? -43.766 -39.094 17.118 1.00 34.41 ? 805 BMA B C6 1 HETATM 6264 O O2 . BMA Q 4 . ? -44.890 -35.699 19.975 1.00 40.91 ? 805 BMA B O2 1 HETATM 6265 O O3 . BMA Q 4 . ? -47.165 -35.822 18.476 1.00 41.81 ? 805 BMA B O3 1 HETATM 6266 O O4 . BMA Q 4 . ? -46.354 -37.874 16.614 1.00 40.64 ? 805 BMA B O4 1 HETATM 6267 O O5 . BMA Q 4 . ? -44.024 -38.298 19.377 1.00 37.94 ? 805 BMA B O5 1 HETATM 6268 O O6 . BMA Q 4 . ? -43.194 -37.942 16.541 1.00 32.20 ? 805 BMA B O6 1 HETATM 6269 C C1 . GOL R 5 . ? -17.754 -28.032 43.889 1.00 18.55 ? 1 GOL B C1 1 HETATM 6270 O O1 . GOL R 5 . ? -19.155 -27.906 43.963 1.00 17.56 ? 1 GOL B O1 1 HETATM 6271 C C2 . GOL R 5 . ? -17.126 -27.367 45.109 1.00 19.50 ? 1 GOL B C2 1 HETATM 6272 O O2 . GOL R 5 . ? -17.302 -25.969 45.026 1.00 18.15 ? 1 GOL B O2 1 HETATM 6273 C C3 . GOL R 5 . ? -15.643 -27.716 45.150 1.00 21.24 ? 1 GOL B C3 1 HETATM 6274 O O3 . GOL R 5 . ? -15.075 -27.241 46.349 1.00 24.51 ? 1 GOL B O3 1 HETATM 6275 C C1 . GOL S 5 . ? -46.096 -59.548 50.479 1.00 13.91 ? 472 GOL B C1 1 HETATM 6276 O O1 . GOL S 5 . ? -46.888 -58.857 49.531 1.00 13.32 ? 472 GOL B O1 1 HETATM 6277 C C2 . GOL S 5 . ? -46.535 -59.195 51.900 1.00 13.23 ? 472 GOL B C2 1 HETATM 6278 O O2 . GOL S 5 . ? -46.298 -57.825 52.134 1.00 13.44 ? 472 GOL B O2 1 HETATM 6279 C C3 . GOL S 5 . ? -45.742 -60.039 52.898 1.00 13.10 ? 472 GOL B C3 1 HETATM 6280 O O3 . GOL S 5 . ? -46.056 -59.663 54.225 1.00 13.99 ? 472 GOL B O3 1 HETATM 6281 O O . HOH T 6 . ? -13.603 1.584 17.493 1.00 10.59 ? 2 HOH A O 1 HETATM 6282 O O . HOH T 6 . ? -22.779 5.564 24.059 1.00 9.88 ? 3 HOH A O 1 HETATM 6283 O O . HOH T 6 . ? -28.603 -18.504 22.191 1.00 10.40 ? 5 HOH A O 1 HETATM 6284 O O . HOH T 6 . ? -23.476 -15.126 27.973 1.00 11.90 ? 8 HOH A O 1 HETATM 6285 O O . HOH T 6 . ? -34.962 -25.482 14.864 1.00 14.92 ? 9 HOH A O 1 HETATM 6286 O O . HOH T 6 . ? -29.596 -14.529 27.816 1.00 10.98 ? 10 HOH A O 1 HETATM 6287 O O . HOH T 6 . ? -35.633 -22.295 14.059 1.00 14.31 ? 11 HOH A O 1 HETATM 6288 O O . HOH T 6 . ? -8.129 -23.544 16.632 1.00 11.17 ? 12 HOH A O 1 HETATM 6289 O O . HOH T 6 . ? -19.879 -1.568 14.455 1.00 11.15 ? 13 HOH A O 1 HETATM 6290 O O . HOH T 6 . ? -3.700 -11.594 7.056 1.00 10.82 ? 16 HOH A O 1 HETATM 6291 O O . HOH T 6 . ? -34.052 -21.764 19.509 1.00 12.85 ? 19 HOH A O 1 HETATM 6292 O O . HOH T 6 . ? -6.768 -2.795 5.601 1.00 10.76 ? 20 HOH A O 1 HETATM 6293 O O . HOH T 6 . ? -17.761 -1.380 10.616 1.00 10.63 ? 21 HOH A O 1 HETATM 6294 O O . HOH T 6 . ? -15.930 3.185 16.884 1.00 11.61 ? 27 HOH A O 1 HETATM 6295 O O . HOH T 6 . ? -23.521 -23.170 25.337 1.00 12.43 ? 28 HOH A O 1 HETATM 6296 O O . HOH T 6 . ? -13.634 -7.088 11.342 1.00 11.36 ? 30 HOH A O 1 HETATM 6297 O O . HOH T 6 . ? -15.013 -33.278 19.807 1.00 11.63 ? 32 HOH A O 1 HETATM 6298 O O . HOH T 6 . ? -27.630 -34.195 27.839 1.00 15.29 ? 35 HOH A O 1 HETATM 6299 O O . HOH T 6 . ? -29.214 -12.947 17.369 1.00 10.95 ? 39 HOH A O 1 HETATM 6300 O O . HOH T 6 . ? -31.456 -12.358 20.819 1.00 11.05 ? 40 HOH A O 1 HETATM 6301 O O . HOH T 6 . ? -12.550 -18.636 39.802 1.00 14.41 ? 43 HOH A O 1 HETATM 6302 O O . HOH T 6 . ? -30.561 -17.755 11.384 1.00 13.66 ? 46 HOH A O 1 HETATM 6303 O O . HOH T 6 . ? -35.539 -29.744 19.460 1.00 14.43 ? 49 HOH A O 1 HETATM 6304 O O . HOH T 6 . ? -12.447 -20.386 37.444 1.00 13.58 ? 50 HOH A O 1 HETATM 6305 O O . HOH T 6 . ? -10.959 -9.026 3.801 1.00 11.27 ? 53 HOH A O 1 HETATM 6306 O O . HOH T 6 . ? -18.459 -6.272 21.241 1.00 14.59 ? 54 HOH A O 1 HETATM 6307 O O . HOH T 6 . ? -37.714 -25.301 14.570 1.00 15.02 ? 55 HOH A O 1 HETATM 6308 O O . HOH T 6 . ? -18.350 -2.364 20.385 1.00 12.24 ? 56 HOH A O 1 HETATM 6309 O O . HOH T 6 . ? -7.418 -24.567 22.967 1.00 11.46 ? 57 HOH A O 1 HETATM 6310 O O . HOH T 6 . ? -26.765 -13.034 40.903 1.00 14.92 ? 58 HOH A O 1 HETATM 6311 O O . HOH T 6 . ? -33.885 -14.042 16.269 1.00 12.21 ? 59 HOH A O 1 HETATM 6312 O O . HOH T 6 . ? -10.883 1.412 23.952 1.00 14.12 ? 60 HOH A O 1 HETATM 6313 O O . HOH T 6 . ? -22.586 -13.521 31.570 1.00 13.68 ? 63 HOH A O 1 HETATM 6314 O O . HOH T 6 . ? -42.634 -20.852 23.640 1.00 14.63 ? 64 HOH A O 1 HETATM 6315 O O . HOH T 6 . ? -6.646 -5.148 7.935 1.00 10.44 ? 68 HOH A O 1 HETATM 6316 O O . HOH T 6 . ? -2.688 -31.374 22.078 1.00 12.17 ? 72 HOH A O 1 HETATM 6317 O O . HOH T 6 . ? -11.458 -1.542 0.823 1.00 14.53 ? 74 HOH A O 1 HETATM 6318 O O . HOH T 6 . ? -27.098 -1.833 16.170 1.00 12.27 ? 75 HOH A O 1 HETATM 6319 O O . HOH T 6 . ? -31.868 -13.531 18.123 1.00 11.71 ? 77 HOH A O 1 HETATM 6320 O O . HOH T 6 . ? -15.079 -5.656 13.468 1.00 13.07 ? 79 HOH A O 1 HETATM 6321 O O . HOH T 6 . ? -15.657 -3.506 20.791 1.00 14.83 ? 80 HOH A O 1 HETATM 6322 O O . HOH T 6 . ? -22.091 -28.431 15.471 1.00 24.88 ? 307 HOH A O 1 HETATM 6323 O O . HOH T 6 . ? -23.132 -0.106 4.553 1.00 28.98 ? 386 HOH A O 1 HETATM 6324 O O . HOH T 6 . ? -46.349 -27.528 22.314 1.00 31.98 ? 474 HOH A O 1 HETATM 6325 O O . HOH T 6 . ? -21.434 -11.990 26.318 1.00 11.56 ? 475 HOH A O 1 HETATM 6326 O O . HOH T 6 . ? -24.135 -39.204 16.622 1.00 38.38 ? 476 HOH A O 1 HETATM 6327 O O . HOH T 6 . ? -6.889 -16.104 31.239 1.00 16.61 ? 477 HOH A O 1 HETATM 6328 O O . HOH T 6 . ? -9.838 -17.326 6.153 1.00 41.82 ? 478 HOH A O 1 HETATM 6329 O O . HOH T 6 . ? -32.612 -0.227 36.125 1.00 30.24 ? 479 HOH A O 1 HETATM 6330 O O . HOH T 6 . ? -16.717 -14.385 41.362 1.00 14.78 ? 480 HOH A O 1 HETATM 6331 O O . HOH T 6 . ? -25.288 -3.821 9.533 1.00 14.32 ? 481 HOH A O 1 HETATM 6332 O O . HOH T 6 . ? -46.814 -9.848 17.724 1.00 29.58 ? 482 HOH A O 1 HETATM 6333 O O . HOH T 6 . ? -37.792 4.650 19.184 1.00 37.80 ? 483 HOH A O 1 HETATM 6334 O O . HOH T 6 . ? -20.628 2.671 42.690 1.00 43.18 ? 484 HOH A O 1 HETATM 6335 O O . HOH T 6 . ? -23.056 -25.369 23.820 1.00 14.84 ? 485 HOH A O 1 HETATM 6336 O O . HOH T 6 . ? -15.710 -32.369 38.144 1.00 35.36 ? 486 HOH A O 1 HETATM 6337 O O . HOH T 6 . ? -13.081 -14.350 5.906 1.00 18.41 ? 487 HOH A O 1 HETATM 6338 O O . HOH T 6 . ? -39.495 -22.574 30.909 1.00 32.28 ? 488 HOH A O 1 HETATM 6339 O O . HOH T 6 . ? -42.203 -13.887 14.585 1.00 15.87 ? 489 HOH A O 1 HETATM 6340 O O . HOH T 6 . ? -26.363 -11.466 8.843 1.00 16.84 ? 490 HOH A O 1 HETATM 6341 O O . HOH T 6 . ? -49.791 -22.481 16.200 1.00 37.23 ? 491 HOH A O 1 HETATM 6342 O O . HOH T 6 . ? -14.760 -17.002 -0.670 1.00 34.44 ? 492 HOH A O 1 HETATM 6343 O O . HOH T 6 . ? -8.642 -10.391 29.013 1.00 17.29 ? 493 HOH A O 1 HETATM 6344 O O . HOH T 6 . ? -2.541 2.991 0.382 1.00 40.30 ? 494 HOH A O 1 HETATM 6345 O O . HOH T 6 . ? -3.082 -9.868 0.161 1.00 16.08 ? 495 HOH A O 1 HETATM 6346 O O . HOH T 6 . ? -7.088 -16.198 28.473 1.00 30.01 ? 496 HOH A O 1 HETATM 6347 O O . HOH T 6 . ? -34.345 -14.239 22.088 1.00 13.44 ? 497 HOH A O 1 HETATM 6348 O O . HOH T 6 . ? -38.158 -18.030 21.826 1.00 13.27 ? 498 HOH A O 1 HETATM 6349 O O . HOH T 6 . ? -28.230 -11.820 0.227 1.00 36.65 ? 499 HOH A O 1 HETATM 6350 O O . HOH T 6 . ? -20.675 -19.760 43.134 1.00 16.57 ? 500 HOH A O 1 HETATM 6351 O O . HOH T 6 . ? -34.996 0.920 24.774 1.00 18.28 ? 501 HOH A O 1 HETATM 6352 O O . HOH T 6 . ? -3.770 -0.040 4.316 1.00 16.21 ? 502 HOH A O 1 HETATM 6353 O O . HOH T 6 . ? -42.554 -7.482 16.499 1.00 37.94 ? 503 HOH A O 1 HETATM 6354 O O . HOH T 6 . ? -49.364 -13.247 18.124 1.00 31.99 ? 504 HOH A O 1 HETATM 6355 O O . HOH T 6 . ? -22.934 -24.441 21.231 1.00 16.37 ? 505 HOH A O 1 HETATM 6356 O O . HOH T 6 . ? -24.126 -1.194 6.969 1.00 17.60 ? 506 HOH A O 1 HETATM 6357 O O . HOH T 6 . ? -7.840 -33.446 18.251 1.00 15.83 ? 507 HOH A O 1 HETATM 6358 O O . HOH T 6 . ? -48.600 -10.456 19.858 1.00 37.49 ? 508 HOH A O 1 HETATM 6359 O O . HOH T 6 . ? -6.273 -12.022 34.273 1.00 20.67 ? 509 HOH A O 1 HETATM 6360 O O . HOH T 6 . ? -44.811 -11.574 13.591 1.00 26.07 ? 510 HOH A O 1 HETATM 6361 O O . HOH T 6 . ? -11.077 -35.005 23.464 1.00 18.91 ? 511 HOH A O 1 HETATM 6362 O O . HOH T 6 . ? -7.135 -29.309 9.786 1.00 38.52 ? 512 HOH A O 1 HETATM 6363 O O . HOH T 6 . ? -36.726 2.777 16.001 1.00 36.50 ? 513 HOH A O 1 HETATM 6364 O O . HOH T 6 . ? -42.967 -25.447 33.231 1.00 39.96 ? 514 HOH A O 1 HETATM 6365 O O . HOH T 6 . ? -29.491 -26.067 8.497 1.00 24.71 ? 515 HOH A O 1 HETATM 6366 O O . HOH T 6 . ? -22.279 -19.101 31.648 1.00 14.00 ? 516 HOH A O 1 HETATM 6367 O O . HOH T 6 . ? -28.692 -35.593 25.935 1.00 35.58 ? 517 HOH A O 1 HETATM 6368 O O . HOH T 6 . ? -17.342 -11.646 33.552 1.00 20.55 ? 518 HOH A O 1 HETATM 6369 O O . HOH T 6 . ? -13.036 -17.632 -2.649 1.00 37.53 ? 519 HOH A O 1 HETATM 6370 O O . HOH T 6 . ? -41.798 -34.204 17.511 1.00 45.48 ? 520 HOH A O 1 HETATM 6371 O O . HOH T 6 . ? -11.958 -29.454 14.111 1.00 18.46 ? 521 HOH A O 1 HETATM 6372 O O . HOH T 6 . ? -10.223 -5.892 34.823 1.00 36.03 ? 522 HOH A O 1 HETATM 6373 O O . HOH T 6 . ? -3.182 -7.096 -0.406 1.00 38.27 ? 523 HOH A O 1 HETATM 6374 O O . HOH T 6 . ? -36.108 -11.258 5.254 1.00 41.95 ? 524 HOH A O 1 HETATM 6375 O O . HOH T 6 . ? -35.521 -11.080 37.021 1.00 15.39 ? 525 HOH A O 1 HETATM 6376 O O . HOH T 6 . ? -36.912 -2.656 10.253 1.00 18.71 ? 526 HOH A O 1 HETATM 6377 O O . HOH T 6 . ? -23.736 -10.036 5.197 1.00 17.77 ? 527 HOH A O 1 HETATM 6378 O O . HOH T 6 . ? -13.664 0.599 32.309 1.00 34.99 ? 528 HOH A O 1 HETATM 6379 O O . HOH T 6 . ? -50.699 -10.226 29.511 1.00 37.27 ? 529 HOH A O 1 HETATM 6380 O O . HOH T 6 . ? -14.714 -36.307 11.819 1.00 42.53 ? 530 HOH A O 1 HETATM 6381 O O . HOH T 6 . ? -23.420 -12.681 5.387 1.00 19.30 ? 531 HOH A O 1 HETATM 6382 O O . HOH T 6 . ? -29.191 1.784 9.465 1.00 17.19 ? 532 HOH A O 1 HETATM 6383 O O . HOH T 6 . ? -20.013 -34.617 38.790 1.00 39.55 ? 533 HOH A O 1 HETATM 6384 O O . HOH T 6 . ? -43.594 -6.666 32.037 1.00 30.96 ? 534 HOH A O 1 HETATM 6385 O O . HOH T 6 . ? -11.698 -29.137 11.525 1.00 20.80 ? 535 HOH A O 1 HETATM 6386 O O . HOH T 6 . ? -38.004 -32.656 19.675 1.00 21.44 ? 536 HOH A O 1 HETATM 6387 O O . HOH T 6 . ? -18.159 -11.709 36.262 1.00 38.07 ? 537 HOH A O 1 HETATM 6388 O O . HOH T 6 . ? -37.535 1.255 26.034 1.00 18.15 ? 538 HOH A O 1 HETATM 6389 O O . HOH T 6 . ? -21.914 -26.333 45.670 1.00 18.02 ? 539 HOH A O 1 HETATM 6390 O O . HOH T 6 . ? -21.872 -2.063 1.275 1.00 16.92 ? 540 HOH A O 1 HETATM 6391 O O . HOH T 6 . ? -3.215 -26.454 36.832 1.00 18.60 ? 541 HOH A O 1 HETATM 6392 O O . HOH T 6 . ? -21.294 -8.372 43.639 1.00 18.94 ? 542 HOH A O 1 HETATM 6393 O O . HOH T 6 . ? -28.558 1.060 34.107 1.00 27.99 ? 543 HOH A O 1 HETATM 6394 O O . HOH T 6 . ? -28.744 -37.782 17.831 1.00 32.54 ? 544 HOH A O 1 HETATM 6395 O O . HOH T 6 . ? -12.836 -32.722 9.660 1.00 43.04 ? 545 HOH A O 1 HETATM 6396 O O . HOH T 6 . ? -7.267 -15.889 41.939 1.00 21.20 ? 546 HOH A O 1 HETATM 6397 O O . HOH T 6 . ? -17.651 -19.160 12.830 1.00 36.91 ? 547 HOH A O 1 HETATM 6398 O O . HOH T 6 . ? -7.573 -27.379 22.248 1.00 15.60 ? 548 HOH A O 1 HETATM 6399 O O . HOH T 6 . ? -39.291 -18.530 8.200 1.00 31.51 ? 549 HOH A O 1 HETATM 6400 O O . HOH T 6 . ? -13.893 -31.212 42.834 1.00 23.84 ? 550 HOH A O 1 HETATM 6401 O O . HOH T 6 . ? -21.953 -8.870 36.766 1.00 20.10 ? 551 HOH A O 1 HETATM 6402 O O . HOH T 6 . ? -35.288 -18.533 37.902 1.00 32.30 ? 552 HOH A O 1 HETATM 6403 O O . HOH T 6 . ? -16.226 -8.265 -6.137 1.00 38.46 ? 553 HOH A O 1 HETATM 6404 O O . HOH T 6 . ? -24.792 -18.227 44.336 1.00 27.79 ? 554 HOH A O 1 HETATM 6405 O O . HOH T 6 . ? -43.166 -9.745 37.215 1.00 21.22 ? 555 HOH A O 1 HETATM 6406 O O . HOH T 6 . ? -51.367 -13.190 25.539 1.00 40.88 ? 556 HOH A O 1 HETATM 6407 O O . HOH T 6 . ? -41.324 -29.339 16.507 1.00 39.63 ? 557 HOH A O 1 HETATM 6408 O O . HOH T 6 . ? -5.955 -5.072 24.822 1.00 20.29 ? 558 HOH A O 1 HETATM 6409 O O . HOH T 6 . ? -26.637 -20.993 43.578 1.00 21.04 ? 559 HOH A O 1 HETATM 6410 O O . HOH T 6 . ? -41.354 -30.255 13.641 1.00 25.07 ? 560 HOH A O 1 HETATM 6411 O O . HOH T 6 . ? -29.666 -14.761 6.910 1.00 35.77 ? 561 HOH A O 1 HETATM 6412 O O . HOH T 6 . ? -32.949 -16.093 39.563 1.00 18.21 ? 562 HOH A O 1 HETATM 6413 O O . HOH T 6 . ? -16.584 -24.367 7.901 1.00 30.57 ? 563 HOH A O 1 HETATM 6414 O O . HOH T 6 . ? -15.739 -24.642 43.006 1.00 18.06 ? 564 HOH A O 1 HETATM 6415 O O . HOH T 6 . ? -13.429 -15.846 12.977 1.00 18.75 ? 565 HOH A O 1 HETATM 6416 O O . HOH T 6 . ? -10.349 1.843 -2.168 1.00 37.94 ? 566 HOH A O 1 HETATM 6417 O O . HOH T 6 . ? -38.813 -4.627 33.196 1.00 23.57 ? 567 HOH A O 1 HETATM 6418 O O . HOH T 6 . ? -39.771 -19.509 30.368 1.00 22.62 ? 568 HOH A O 1 HETATM 6419 O O . HOH T 6 . ? -35.155 -35.382 29.498 1.00 23.29 ? 569 HOH A O 1 HETATM 6420 O O . HOH T 6 . ? -13.946 0.147 27.061 1.00 28.96 ? 570 HOH A O 1 HETATM 6421 O O . HOH T 6 . ? -24.692 -3.134 38.414 1.00 19.97 ? 571 HOH A O 1 HETATM 6422 O O . HOH T 6 . ? -49.076 -18.695 22.886 1.00 21.72 ? 572 HOH A O 1 HETATM 6423 O O . HOH T 6 . ? -34.587 -32.638 32.843 1.00 37.22 ? 573 HOH A O 1 HETATM 6424 O O . HOH T 6 . ? -34.396 -2.973 39.434 1.00 23.76 ? 574 HOH A O 1 HETATM 6425 O O . HOH T 6 . ? -38.872 -30.629 23.167 1.00 22.66 ? 575 HOH A O 1 HETATM 6426 O O . HOH T 6 . ? -6.531 -22.128 1.671 1.00 41.24 ? 576 HOH A O 1 HETATM 6427 O O . HOH T 6 . ? -32.444 -37.644 17.850 1.00 21.03 ? 577 HOH A O 1 HETATM 6428 O O . HOH T 6 . ? -2.452 -7.292 2.099 1.00 17.59 ? 578 HOH A O 1 HETATM 6429 O O . HOH T 6 . ? -24.057 -38.275 20.804 1.00 36.25 ? 579 HOH A O 1 HETATM 6430 O O . HOH T 6 . ? -25.791 -3.593 6.594 1.00 21.72 ? 580 HOH A O 1 HETATM 6431 O O . HOH T 6 . ? -25.077 -20.644 12.601 1.00 18.77 ? 581 HOH A O 1 HETATM 6432 O O . HOH T 6 . ? -15.282 -26.453 10.293 1.00 20.03 ? 582 HOH A O 1 HETATM 6433 O O . HOH T 6 . ? -50.696 -22.145 26.282 1.00 40.37 ? 583 HOH A O 1 HETATM 6434 O O . HOH T 6 . ? -27.017 4.223 8.088 1.00 30.07 ? 584 HOH A O 1 HETATM 6435 O O . HOH T 6 . ? -38.698 -3.569 14.533 1.00 26.71 ? 585 HOH A O 1 HETATM 6436 O O . HOH T 6 . ? -24.352 -26.731 15.575 1.00 31.61 ? 586 HOH A O 1 HETATM 6437 O O . HOH T 6 . ? -19.668 -7.419 -1.484 1.00 25.09 ? 587 HOH A O 1 HETATM 6438 O O . HOH T 6 . ? -25.307 -13.483 7.483 1.00 21.52 ? 588 HOH A O 1 HETATM 6439 O O . HOH T 6 . ? -41.313 -5.793 33.374 1.00 31.82 ? 589 HOH A O 1 HETATM 6440 O O . HOH T 6 . ? -9.876 -2.293 28.992 1.00 33.27 ? 590 HOH A O 1 HETATM 6441 O O . HOH T 6 . ? -22.160 2.944 4.894 1.00 36.99 ? 591 HOH A O 1 HETATM 6442 O O . HOH T 6 . ? -31.710 -17.799 8.858 1.00 23.01 ? 592 HOH A O 1 HETATM 6443 O O . HOH T 6 . ? -18.123 -25.773 9.668 1.00 42.46 ? 593 HOH A O 1 HETATM 6444 O O . HOH T 6 . ? -19.176 -38.069 30.294 1.00 38.86 ? 594 HOH A O 1 HETATM 6445 O O . HOH T 6 . ? -37.554 0.991 11.273 1.00 42.25 ? 595 HOH A O 1 HETATM 6446 O O . HOH T 6 . ? -34.111 -17.165 41.760 1.00 26.31 ? 596 HOH A O 1 HETATM 6447 O O . HOH T 6 . ? -5.981 -2.337 0.113 1.00 21.96 ? 597 HOH A O 1 HETATM 6448 O O . HOH T 6 . ? -5.851 -0.889 26.804 1.00 39.88 ? 598 HOH A O 1 HETATM 6449 O O . HOH T 6 . ? -31.535 -15.658 4.545 1.00 39.36 ? 599 HOH A O 1 HETATM 6450 O O . HOH T 6 . ? -41.367 -11.208 13.624 1.00 21.00 ? 600 HOH A O 1 HETATM 6451 O O . HOH T 6 . ? -33.014 5.924 33.136 1.00 43.12 ? 602 HOH A O 1 HETATM 6452 O O . HOH T 6 . ? -21.612 -7.424 41.018 1.00 22.15 ? 603 HOH A O 1 HETATM 6453 O O . HOH T 6 . ? -9.409 -24.614 42.325 1.00 22.43 ? 604 HOH A O 1 HETATM 6454 O O . HOH T 6 . ? -46.603 -27.539 25.384 1.00 37.92 ? 605 HOH A O 1 HETATM 6455 O O . HOH T 6 . ? -33.787 -38.268 15.558 1.00 49.34 ? 606 HOH A O 1 HETATM 6456 O O . HOH T 6 . ? -19.985 -6.516 45.260 1.00 39.77 ? 607 HOH A O 1 HETATM 6457 O O . HOH T 6 . ? -24.867 -15.900 8.876 1.00 17.45 ? 608 HOH A O 1 HETATM 6458 O O . HOH T 6 . ? -39.807 -11.285 7.970 1.00 27.69 ? 609 HOH A O 1 HETATM 6459 O O . HOH T 6 . ? -32.626 5.026 11.224 1.00 34.26 ? 610 HOH A O 1 HETATM 6460 O O . HOH T 6 . ? -49.481 -4.355 24.586 1.00 42.06 ? 611 HOH A O 1 HETATM 6461 O O . HOH T 6 . ? -22.018 -11.520 33.352 1.00 22.98 ? 612 HOH A O 1 HETATM 6462 O O . HOH T 6 . ? -28.584 -13.798 46.328 1.00 37.17 ? 613 HOH A O 1 HETATM 6463 O O . HOH T 6 . ? -40.514 -15.757 37.395 1.00 38.10 ? 614 HOH A O 1 HETATM 6464 O O . HOH T 6 . ? -36.308 -15.641 42.710 1.00 43.16 ? 615 HOH A O 1 HETATM 6465 O O . HOH T 6 . ? -11.865 -32.786 12.161 1.00 21.08 ? 616 HOH A O 1 HETATM 6466 O O . HOH T 6 . ? -12.594 -12.784 47.876 1.00 25.11 ? 617 HOH A O 1 HETATM 6467 O O . HOH T 6 . ? -38.339 3.163 23.066 1.00 25.04 ? 618 HOH A O 1 HETATM 6468 O O . HOH T 6 . ? -37.507 -19.338 36.542 1.00 37.57 ? 619 HOH A O 1 HETATM 6469 O O . HOH T 6 . ? -1.741 -1.936 4.973 1.00 19.39 ? 620 HOH A O 1 HETATM 6470 O O . HOH T 6 . ? -37.691 1.422 18.155 1.00 23.07 ? 621 HOH A O 1 HETATM 6471 O O . HOH T 6 . ? -52.249 -9.085 24.671 1.00 44.54 ? 622 HOH A O 1 HETATM 6472 O O . HOH T 6 . ? -32.725 9.218 11.648 1.00 27.11 ? 623 HOH A O 1 HETATM 6473 O O . HOH T 6 . ? -14.309 -29.483 10.602 1.00 26.52 ? 624 HOH A O 1 HETATM 6474 O O . HOH T 6 . ? -30.375 -27.128 44.507 1.00 23.91 ? 625 HOH A O 1 HETATM 6475 O O . HOH T 6 . ? -39.342 -17.977 37.743 1.00 48.13 ? 626 HOH A O 1 HETATM 6476 O O . HOH T 6 . ? -39.432 -3.398 9.428 1.00 48.33 ? 627 HOH A O 1 HETATM 6477 O O . HOH T 6 . ? -14.039 -7.912 42.930 1.00 25.19 ? 628 HOH A O 1 HETATM 6478 O O . HOH T 6 . ? -8.325 1.480 25.059 1.00 25.25 ? 629 HOH A O 1 HETATM 6479 O O . HOH T 6 . ? -15.142 -14.300 10.095 1.00 31.23 ? 630 HOH A O 1 HETATM 6480 O O . HOH T 6 . ? -29.889 5.058 11.296 1.00 28.31 ? 631 HOH A O 1 HETATM 6481 O O . HOH T 6 . ? -20.100 -23.354 45.924 1.00 25.67 ? 632 HOH A O 1 HETATM 6482 O O . HOH T 6 . ? -38.981 -27.324 9.318 1.00 20.43 ? 633 HOH A O 1 HETATM 6483 O O . HOH T 6 . ? -33.214 -33.218 11.949 1.00 25.93 ? 634 HOH A O 1 HETATM 6484 O O . HOH T 6 . ? -5.718 -30.573 33.918 1.00 42.07 ? 635 HOH A O 1 HETATM 6485 O O . HOH T 6 . ? -34.269 -37.958 21.938 1.00 23.33 ? 636 HOH A O 1 HETATM 6486 O O . HOH T 6 . ? -22.401 -19.192 45.080 1.00 24.99 ? 637 HOH A O 1 HETATM 6487 O O . HOH T 6 . ? -36.979 -0.063 35.351 1.00 37.98 ? 638 HOH A O 1 HETATM 6488 O O . HOH T 6 . ? -26.776 -18.123 8.080 1.00 25.40 ? 639 HOH A O 1 HETATM 6489 O O . HOH T 6 . ? -6.178 -5.177 -0.452 1.00 25.24 ? 640 HOH A O 1 HETATM 6490 O O . HOH T 6 . ? -8.782 -27.394 42.381 1.00 36.54 ? 641 HOH A O 1 HETATM 6491 O O . HOH T 6 . ? -12.849 -0.901 -2.400 1.00 19.84 ? 642 HOH A O 1 HETATM 6492 O O . HOH T 6 . ? -40.552 -17.966 23.237 1.00 19.35 ? 643 HOH A O 1 HETATM 6493 O O . HOH T 6 . ? -2.579 -12.218 30.947 1.00 38.59 ? 644 HOH A O 1 HETATM 6494 O O . HOH T 6 . ? -28.102 -30.152 45.407 1.00 36.79 ? 645 HOH A O 1 HETATM 6495 O O . HOH T 6 . ? -47.080 -23.166 16.931 1.00 22.50 ? 646 HOH A O 1 HETATM 6496 O O . HOH T 6 . ? -34.906 -30.342 36.545 1.00 37.02 ? 647 HOH A O 1 HETATM 6497 O O . HOH T 6 . ? -20.269 -12.960 35.572 1.00 25.26 ? 648 HOH A O 1 HETATM 6498 O O . HOH T 6 . ? -31.169 -30.857 39.178 1.00 33.68 ? 649 HOH A O 1 HETATM 6499 O O . HOH T 6 . ? -35.139 -8.502 37.564 1.00 28.64 ? 650 HOH A O 1 HETATM 6500 O O . HOH T 6 . ? -36.375 -29.208 34.436 1.00 28.46 ? 651 HOH A O 1 HETATM 6501 O O . HOH T 6 . ? -51.374 -20.332 15.582 1.00 43.02 ? 652 HOH A O 1 HETATM 6502 O O . HOH T 6 . ? -39.517 -28.087 31.200 1.00 30.11 ? 653 HOH A O 1 HETATM 6503 O O . HOH T 6 . ? -9.298 -32.283 34.406 1.00 42.90 ? 654 HOH A O 1 HETATM 6504 O O . HOH T 6 . ? -47.896 -11.925 13.459 1.00 26.63 ? 655 HOH A O 1 HETATM 6505 O O . HOH T 6 . ? -8.125 -8.051 35.736 1.00 33.58 ? 656 HOH A O 1 HETATM 6506 O O . HOH T 6 . ? -39.176 -32.176 10.860 1.00 23.93 ? 657 HOH A O 1 HETATM 6507 O O . HOH T 6 . ? -21.176 -39.790 27.066 1.00 40.13 ? 658 HOH A O 1 HETATM 6508 O O . HOH T 6 . ? -45.978 -5.445 32.491 1.00 39.97 ? 659 HOH A O 1 HETATM 6509 O O . HOH T 6 . ? -43.779 -28.166 16.800 1.00 27.03 ? 660 HOH A O 1 HETATM 6510 O O . HOH T 6 . ? -32.158 -17.346 43.878 1.00 26.20 ? 661 HOH A O 1 HETATM 6511 O O . HOH T 6 . ? -17.896 -24.519 14.685 1.00 28.00 ? 662 HOH A O 1 HETATM 6512 O O . HOH T 6 . ? -46.342 -7.154 17.567 1.00 42.99 ? 663 HOH A O 1 HETATM 6513 O O . HOH T 6 . ? -1.949 -12.559 25.975 1.00 27.44 ? 664 HOH A O 1 HETATM 6514 O O . HOH T 6 . ? -22.008 -6.161 -0.936 1.00 26.56 ? 665 HOH A O 1 HETATM 6515 O O . HOH T 6 . ? -1.581 2.531 23.269 1.00 31.09 ? 666 HOH A O 1 HETATM 6516 O O . HOH T 6 . ? -24.647 3.462 38.565 1.00 38.95 ? 667 HOH A O 1 HETATM 6517 O O . HOH T 6 . ? -6.150 2.884 24.246 1.00 28.71 ? 668 HOH A O 1 HETATM 6518 O O . HOH T 6 . ? -30.142 -0.926 35.179 1.00 36.55 ? 669 HOH A O 1 HETATM 6519 O O . HOH T 6 . ? -23.055 -18.316 12.147 1.00 23.46 ? 670 HOH A O 1 HETATM 6520 O O . HOH T 6 . ? -44.459 -28.610 20.278 1.00 28.87 ? 671 HOH A O 1 HETATM 6521 O O . HOH T 6 . ? -22.521 -23.456 17.140 1.00 36.60 ? 672 HOH A O 1 HETATM 6522 O O . HOH T 6 . ? -20.074 -9.668 32.210 1.00 25.16 ? 673 HOH A O 1 HETATM 6523 O O . HOH T 6 . ? -7.088 -35.967 16.757 1.00 33.31 ? 674 HOH A O 1 HETATM 6524 O O . HOH T 6 . ? -1.211 -16.377 -2.835 1.00 26.52 ? 675 HOH A O 1 HETATM 6525 O O . HOH T 6 . ? -33.919 -11.425 41.061 1.00 29.07 ? 676 HOH A O 1 HETATM 6526 O O . HOH T 6 . ? -29.341 -17.247 7.676 1.00 39.65 ? 677 HOH A O 1 HETATM 6527 O O . HOH T 6 . ? -41.630 -27.648 7.047 1.00 35.30 ? 678 HOH A O 1 HETATM 6528 O O . HOH T 6 . ? -22.304 -35.594 15.032 1.00 33.11 ? 679 HOH A O 1 HETATM 6529 O O . HOH T 6 . ? -21.803 5.352 4.018 1.00 37.54 ? 680 HOH A O 1 HETATM 6530 O O . HOH T 6 . ? -14.438 -0.939 30.285 1.00 25.83 ? 681 HOH A O 1 HETATM 6531 O O . HOH T 6 . ? -46.536 -24.457 28.255 1.00 25.34 ? 682 HOH A O 1 HETATM 6532 O O . HOH T 6 . ? -35.851 -13.051 41.788 1.00 32.81 ? 683 HOH A O 1 HETATM 6533 O O . HOH T 6 . ? -40.181 -8.675 13.783 1.00 26.80 ? 684 HOH A O 1 HETATM 6534 O O . HOH T 6 . ? -42.047 0.334 23.178 1.00 32.55 ? 685 HOH A O 1 HETATM 6535 O O . HOH T 6 . ? -25.506 -3.668 3.957 1.00 36.91 ? 686 HOH A O 1 HETATM 6536 O O . HOH T 6 . ? -36.967 -10.169 39.535 1.00 34.42 ? 687 HOH A O 1 HETATM 6537 O O . HOH T 6 . ? -7.307 -23.172 43.350 1.00 26.62 ? 688 HOH A O 1 HETATM 6538 O O . HOH T 6 . ? -17.304 -33.845 30.627 1.00 45.38 ? 689 HOH A O 1 HETATM 6539 O O . HOH T 6 . ? -21.285 -27.717 42.512 1.00 36.20 ? 690 HOH A O 1 HETATM 6540 O O . HOH T 6 . ? -12.174 -33.945 30.513 1.00 28.62 ? 691 HOH A O 1 HETATM 6541 O O . HOH T 6 . ? -7.430 -17.963 3.128 1.00 28.93 ? 692 HOH A O 1 HETATM 6542 O O . HOH T 6 . ? -40.535 -32.671 19.123 1.00 46.42 ? 693 HOH A O 1 HETATM 6543 O O . HOH T 6 . ? -18.247 -8.551 45.600 1.00 26.91 ? 694 HOH A O 1 HETATM 6544 O O . HOH T 6 . ? -18.123 -34.387 13.649 1.00 47.50 ? 695 HOH A O 1 HETATM 6545 O O . HOH T 6 . ? -5.905 -2.459 24.447 1.00 33.66 ? 696 HOH A O 1 HETATM 6546 O O . HOH T 6 . ? -10.763 -14.694 10.384 1.00 37.22 ? 697 HOH A O 1 HETATM 6547 O O . HOH T 6 . ? -8.368 1.017 27.718 1.00 34.82 ? 698 HOH A O 1 HETATM 6548 O O . HOH T 6 . ? -29.688 -32.128 45.894 1.00 40.61 ? 699 HOH A O 1 HETATM 6549 O O . HOH T 6 . ? -10.453 -14.415 48.416 1.00 34.14 ? 700 HOH A O 1 HETATM 6550 O O . HOH T 6 . ? -32.492 -20.263 7.725 1.00 43.29 ? 701 HOH A O 1 HETATM 6551 O O . HOH T 6 . ? -17.001 -0.832 29.792 1.00 35.44 ? 702 HOH A O 1 HETATM 6552 O O . HOH T 6 . ? -22.881 -17.760 8.722 1.00 39.55 ? 703 HOH A O 1 HETATM 6553 O O . HOH T 6 . ? -6.407 -13.912 29.629 1.00 35.21 ? 704 HOH A O 1 HETATM 6554 O O . HOH T 6 . ? -49.102 -7.154 22.410 1.00 35.17 ? 705 HOH A O 1 HETATM 6555 O O . HOH T 6 . ? -21.990 5.264 39.384 1.00 26.51 ? 706 HOH A O 1 HETATM 6556 O O . HOH T 6 . ? -12.444 -35.388 13.178 1.00 24.26 ? 707 HOH A O 1 HETATM 6557 O O . HOH T 6 . ? -39.180 5.657 23.561 1.00 37.90 ? 708 HOH A O 1 HETATM 6558 O O . HOH T 6 . ? -30.636 -34.885 27.063 1.00 33.24 ? 709 HOH A O 1 HETATM 6559 O O . HOH T 6 . ? -19.186 6.130 5.038 1.00 30.89 ? 710 HOH A O 1 HETATM 6560 O O . HOH T 6 . ? -24.010 -35.619 35.459 1.00 31.72 ? 711 HOH A O 1 HETATM 6561 O O . HOH T 6 . ? -10.130 -30.453 37.327 1.00 31.95 ? 712 HOH A O 1 HETATM 6562 O O . HOH T 6 . ? -26.724 -25.772 11.754 1.00 34.10 ? 713 HOH A O 1 HETATM 6563 O O . HOH T 6 . ? -40.100 -2.003 32.336 1.00 33.67 ? 714 HOH A O 1 HETATM 6564 O O . HOH T 6 . ? -19.073 4.386 41.223 1.00 46.28 ? 715 HOH A O 1 HETATM 6565 O O . HOH T 6 . ? -49.402 -17.690 35.244 1.00 40.82 ? 716 HOH A O 1 HETATM 6566 O O . HOH T 6 . ? -15.015 -33.192 35.695 1.00 38.17 ? 717 HOH A O 1 HETATM 6567 O O . HOH T 6 . ? -4.092 1.551 23.086 1.00 26.32 ? 718 HOH A O 1 HETATM 6568 O O . HOH T 6 . ? -48.970 -10.721 15.649 1.00 46.93 ? 719 HOH A O 1 HETATM 6569 O O . HOH T 6 . ? -1.600 -13.455 35.892 1.00 38.24 ? 720 HOH A O 1 HETATM 6570 O O . HOH T 6 . ? -18.771 -17.283 9.677 1.00 33.43 ? 721 HOH A O 1 HETATM 6571 O O . HOH T 6 . ? -20.107 -24.505 16.274 1.00 31.57 ? 722 HOH A O 1 HETATM 6572 O O . HOH T 6 . ? -16.265 -16.582 9.378 1.00 43.96 ? 723 HOH A O 1 HETATM 6573 O O . HOH T 6 . ? -39.967 1.690 24.634 1.00 28.47 ? 724 HOH A O 1 HETATM 6574 O O . HOH T 6 . ? -17.179 -39.470 16.651 1.00 28.66 ? 725 HOH A O 1 HETATM 6575 O O . HOH T 6 . ? -33.587 -9.749 4.717 1.00 39.59 ? 726 HOH A O 1 HETATM 6576 O O . HOH T 6 . ? -10.912 -15.226 7.784 1.00 35.27 ? 727 HOH A O 1 HETATM 6577 O O . HOH T 6 . ? -6.197 -3.664 27.394 1.00 29.02 ? 728 HOH A O 1 HETATM 6578 O O . HOH T 6 . ? -16.046 1.961 39.406 1.00 26.35 ? 729 HOH A O 1 HETATM 6579 O O . HOH T 6 . ? -49.049 -20.741 29.767 1.00 30.70 ? 730 HOH A O 1 HETATM 6580 O O . HOH T 6 . ? -6.195 -16.686 -0.422 1.00 26.43 ? 731 HOH A O 1 HETATM 6581 O O . HOH T 6 . ? -45.124 -24.435 12.919 1.00 42.64 ? 732 HOH A O 1 HETATM 6582 O O . HOH T 6 . ? -29.853 -23.259 45.436 1.00 42.87 ? 733 HOH A O 1 HETATM 6583 O O . HOH T 6 . ? -35.646 -31.346 12.894 1.00 25.28 ? 734 HOH A O 1 HETATM 6584 O O . HOH T 6 . ? -20.007 -21.851 17.283 1.00 37.88 ? 735 HOH A O 1 HETATM 6585 O O . HOH T 6 . ? -6.701 -19.258 0.039 1.00 40.59 ? 736 HOH A O 1 HETATM 6586 O O . HOH T 6 . ? -28.678 -26.834 46.599 1.00 40.10 ? 737 HOH A O 1 HETATM 6587 O O . HOH T 6 . ? -34.316 2.959 10.375 1.00 29.49 ? 738 HOH A O 1 HETATM 6588 O O . HOH T 6 . ? -46.157 -27.663 18.288 1.00 37.61 ? 739 HOH A O 1 HETATM 6589 O O . HOH T 6 . ? -11.728 -6.679 42.489 1.00 40.28 ? 740 HOH A O 1 HETATM 6590 O O . HOH T 6 . ? -12.691 -40.065 18.427 1.00 32.16 ? 741 HOH A O 1 HETATM 6591 O O . HOH T 6 . ? -47.469 -25.074 21.349 1.00 31.77 ? 742 HOH A O 1 HETATM 6592 O O . HOH T 6 . ? -29.296 -6.309 46.215 1.00 42.10 ? 743 HOH A O 1 HETATM 6593 O O . HOH T 6 . ? -14.068 -18.636 9.915 1.00 34.76 ? 744 HOH A O 1 HETATM 6594 O O . HOH T 6 . ? -34.733 -8.970 40.227 1.00 37.28 ? 745 HOH A O 1 HETATM 6595 O O . HOH T 6 . ? -34.861 1.661 14.267 1.00 29.59 ? 746 HOH A O 1 HETATM 6596 O O . HOH T 6 . ? -13.170 -16.099 10.274 1.00 41.64 ? 747 HOH A O 1 HETATM 6597 O O . HOH T 6 . ? -30.231 -0.475 42.877 1.00 35.88 ? 748 HOH A O 1 HETATM 6598 O O . HOH T 6 . ? -30.740 -37.709 29.009 1.00 46.91 ? 749 HOH A O 1 HETATM 6599 O O . HOH T 6 . ? -34.772 -24.044 8.633 1.00 34.42 ? 750 HOH A O 1 HETATM 6600 O O . HOH T 6 . ? -27.026 -15.320 6.406 1.00 39.67 ? 751 HOH A O 1 HETATM 6601 O O . HOH T 6 . ? -47.369 -18.267 8.924 1.00 43.51 ? 752 HOH A O 1 HETATM 6602 O O . HOH T 6 . ? -46.955 -11.612 36.946 1.00 29.38 ? 753 HOH A O 1 HETATM 6603 O O . HOH T 6 . ? -7.398 -19.598 -2.815 1.00 44.76 ? 754 HOH A O 1 HETATM 6604 O O . HOH T 6 . ? -16.021 -6.946 44.792 1.00 41.49 ? 755 HOH A O 1 HETATM 6605 O O . HOH T 6 . ? -40.419 -25.538 31.927 1.00 30.68 ? 756 HOH A O 1 HETATM 6606 O O . HOH T 6 . ? -24.749 -23.822 12.194 1.00 43.93 ? 757 HOH A O 1 HETATM 6607 O O . HOH T 6 . ? -11.624 -29.681 43.266 1.00 38.69 ? 758 HOH A O 1 HETATM 6608 O O . HOH T 6 . ? -40.474 -1.861 15.592 1.00 45.92 ? 759 HOH A O 1 HETATM 6609 O O . HOH T 6 . ? -44.917 -17.188 8.993 1.00 24.95 ? 760 HOH A O 1 HETATM 6610 O O . HOH T 6 . ? -9.654 -22.547 -3.956 1.00 45.04 ? 761 HOH A O 1 HETATM 6611 O O . HOH T 6 . ? -1.291 -25.929 34.804 1.00 23.72 ? 762 HOH A O 1 HETATM 6612 O O . HOH T 6 . ? -20.996 -23.463 19.832 1.00 26.16 ? 763 HOH A O 1 HETATM 6613 O O . HOH T 6 . ? -47.655 -25.374 18.625 1.00 39.33 ? 764 HOH A O 1 HETATM 6614 O O . HOH T 6 . ? -31.653 -33.543 39.324 1.00 50.01 ? 765 HOH A O 1 HETATM 6615 O O . HOH T 6 . ? -22.634 -13.165 47.930 1.00 42.35 ? 766 HOH A O 1 HETATM 6616 O O . HOH T 6 . ? -21.075 -35.509 34.197 1.00 43.88 ? 767 HOH A O 1 HETATM 6617 O O . HOH T 6 . ? -16.279 -22.014 14.782 1.00 27.60 ? 768 HOH A O 1 HETATM 6618 O O . HOH T 6 . ? -26.562 -29.139 9.700 1.00 27.86 ? 769 HOH A O 1 HETATM 6619 O O . HOH T 6 . ? -30.796 -39.618 18.562 1.00 36.20 ? 770 HOH A O 1 HETATM 6620 O O . HOH T 6 . ? -41.641 -7.294 35.407 1.00 49.27 ? 771 HOH A O 1 HETATM 6621 O O . HOH T 6 . ? -19.444 -9.555 35.884 1.00 35.43 ? 772 HOH A O 1 HETATM 6622 O O . HOH T 6 . ? -40.591 -14.717 5.173 1.00 44.36 ? 773 HOH A O 1 HETATM 6623 O O . HOH T 6 . ? -27.667 -38.528 22.723 1.00 46.54 ? 774 HOH A O 1 HETATM 6624 O O . HOH T 6 . ? -17.015 -9.224 48.377 1.00 42.77 ? 775 HOH A O 1 HETATM 6625 O O . HOH T 6 . ? -11.584 -39.614 25.896 1.00 40.62 ? 776 HOH A O 1 HETATM 6626 O O . HOH T 6 . ? 0.465 4.383 -0.102 1.00 41.63 ? 777 HOH A O 1 HETATM 6627 O O . HOH T 6 . ? -9.518 0.268 1.104 1.00 23.13 ? 778 HOH A O 1 HETATM 6628 O O . HOH T 6 . ? -38.234 -35.448 19.734 1.00 37.55 ? 779 HOH A O 1 HETATM 6629 O O . HOH T 6 . ? -38.143 -12.032 40.834 1.00 41.65 ? 780 HOH A O 1 HETATM 6630 O O . HOH T 6 . ? -38.512 -31.039 25.904 1.00 40.43 ? 781 HOH A O 1 HETATM 6631 O O . HOH T 6 . ? -48.587 -6.407 19.870 1.00 45.74 ? 782 HOH A O 1 HETATM 6632 O O . HOH T 6 . ? -37.299 -35.293 15.594 1.00 36.81 ? 783 HOH A O 1 HETATM 6633 O O . HOH T 6 . ? -39.514 -32.620 13.603 1.00 34.03 ? 784 HOH A O 1 HETATM 6634 O O . HOH T 6 . ? -36.625 -23.531 31.989 1.00 36.24 ? 785 HOH A O 1 HETATM 6635 O O . HOH T 6 . ? -51.724 -18.913 22.290 1.00 34.80 ? 786 HOH A O 1 HETATM 6636 O O . HOH T 6 . ? -38.055 -2.793 39.861 1.00 33.56 ? 787 HOH A O 1 HETATM 6637 O O . HOH T 6 . ? -12.492 -1.494 28.539 1.00 29.10 ? 788 HOH A O 1 HETATM 6638 O O . HOH T 6 . ? -17.119 -36.335 15.114 1.00 32.86 ? 789 HOH A O 1 HETATM 6639 O O . HOH T 6 . ? -23.137 0.043 43.564 1.00 34.43 ? 790 HOH A O 1 HETATM 6640 O O . HOH T 6 . ? -34.430 3.933 12.986 1.00 38.88 ? 791 HOH A O 1 HETATM 6641 O O . HOH T 6 . ? -22.069 -22.003 13.704 1.00 43.55 ? 792 HOH A O 1 HETATM 6642 O O . HOH T 6 . ? -27.977 -37.746 25.155 1.00 42.06 ? 793 HOH A O 1 HETATM 6643 O O . HOH T 6 . ? -36.571 -26.846 8.091 1.00 30.62 ? 794 HOH A O 1 HETATM 6644 O O . HOH T 6 . ? -5.302 -12.325 31.452 1.00 33.71 ? 795 HOH A O 1 HETATM 6645 O O . HOH T 6 . ? -14.707 -11.407 -5.895 1.00 42.61 ? 796 HOH A O 1 HETATM 6646 O O . HOH T 6 . ? -44.685 -9.418 34.939 1.00 36.86 ? 797 HOH A O 1 HETATM 6647 O O . HOH T 6 . ? -44.489 -28.242 9.552 1.00 41.29 ? 798 HOH A O 1 HETATM 6648 O O . HOH T 6 . ? -8.829 -37.268 15.325 1.00 36.75 ? 799 HOH A O 1 HETATM 6649 O O . HOH T 6 . ? -15.073 -34.472 29.447 1.00 38.82 ? 800 HOH A O 1 HETATM 6650 O O . HOH T 6 . ? -43.623 -33.716 13.282 1.00 43.51 ? 806 HOH A O 1 HETATM 6651 O O . HOH T 6 . ? -16.625 -33.514 11.245 1.00 32.04 ? 807 HOH A O 1 HETATM 6652 O O . HOH T 6 . ? -14.937 -21.606 45.653 1.00 36.62 ? 808 HOH A O 1 HETATM 6653 O O . HOH T 6 . ? -25.499 6.695 7.592 1.00 37.66 ? 809 HOH A O 1 HETATM 6654 O O . HOH T 6 . ? -5.227 -14.184 42.413 1.00 35.20 ? 810 HOH A O 1 HETATM 6655 O O . HOH T 6 . ? -36.660 -32.532 29.910 1.00 46.04 ? 811 HOH A O 1 HETATM 6656 O O . HOH T 6 . ? -32.031 -2.783 43.205 1.00 41.09 ? 812 HOH A O 1 HETATM 6657 O O . HOH T 6 . ? -47.604 -19.597 34.958 1.00 43.43 ? 813 HOH A O 1 HETATM 6658 O O . HOH T 6 . ? -40.801 -9.259 9.893 1.00 48.89 ? 814 HOH A O 1 HETATM 6659 O O . HOH T 6 . ? -15.759 1.733 36.928 1.00 52.78 ? 815 HOH A O 1 HETATM 6660 O O . HOH T 6 . ? -39.992 0.039 17.580 1.00 34.06 ? 816 HOH A O 1 HETATM 6661 O O . HOH T 6 . ? -48.903 -22.359 12.397 1.00 42.16 ? 817 HOH A O 1 HETATM 6662 O O . HOH T 6 . ? -22.433 -31.285 15.614 1.00 24.64 ? 818 HOH A O 1 HETATM 6663 O O . HOH T 6 . ? -41.145 -29.453 9.054 1.00 29.39 ? 819 HOH A O 1 HETATM 6664 O O . HOH T 6 . ? -23.329 -38.586 28.116 1.00 41.95 ? 820 HOH A O 1 HETATM 6665 O O . HOH T 6 . ? -1.603 -12.228 40.975 1.00 44.14 ? 821 HOH A O 1 HETATM 6666 O O . HOH T 6 . ? -39.368 5.957 31.061 1.00 43.07 ? 822 HOH A O 1 HETATM 6667 O O . HOH T 6 . ? -20.430 -19.915 15.321 1.00 36.48 ? 823 HOH A O 1 HETATM 6668 O O . HOH T 6 . ? -51.792 -19.337 19.394 1.00 46.16 ? 824 HOH A O 1 HETATM 6669 O O . HOH T 6 . ? -47.101 -25.079 8.397 1.00 46.15 ? 825 HOH A O 1 HETATM 6670 O O . HOH T 6 . ? 0.000 0.000 6.138 0.50 26.59 ? 826 HOH A O 1 HETATM 6671 O O . HOH T 6 . ? 0.090 5.642 2.162 1.00 27.61 ? 827 HOH A O 1 HETATM 6672 O O . HOH T 6 . ? -31.244 -31.789 43.777 1.00 37.14 ? 828 HOH A O 1 HETATM 6673 O O . HOH T 6 . ? -38.056 -9.620 6.483 1.00 35.02 ? 829 HOH A O 1 HETATM 6674 O O . HOH T 6 . ? -37.293 -19.681 6.637 1.00 46.63 ? 830 HOH A O 1 HETATM 6675 O O . HOH T 6 . ? -9.903 -30.156 9.858 1.00 36.39 ? 831 HOH A O 1 HETATM 6676 O O . HOH T 6 . ? -35.216 9.404 30.900 1.00 46.60 ? 832 HOH A O 1 HETATM 6677 O O . HOH T 6 . ? -22.869 -3.528 -0.962 1.00 41.38 ? 833 HOH A O 1 HETATM 6678 O O . HOH T 6 . ? -24.859 -21.388 49.703 1.00 38.00 ? 834 HOH A O 1 HETATM 6679 O O . HOH T 6 . ? -40.411 -34.495 15.238 1.00 36.17 ? 835 HOH A O 1 HETATM 6680 O O . HOH T 6 . ? -10.429 -13.331 -5.474 1.00 50.25 ? 836 HOH A O 1 HETATM 6681 O O . HOH T 6 . ? -40.800 -4.103 11.927 1.00 44.61 ? 838 HOH A O 1 HETATM 6682 O O . HOH T 6 . ? -13.209 -17.842 -17.974 1.00 42.16 ? 840 HOH A O 1 HETATM 6683 O O . HOH T 6 . ? -6.186 -13.052 46.683 1.00 41.26 ? 841 HOH A O 1 HETATM 6684 O O . HOH T 6 . ? -41.650 -5.299 37.144 1.00 48.04 ? 842 HOH A O 1 HETATM 6685 O O . HOH T 6 . ? -43.684 -30.182 11.948 1.00 41.52 ? 843 HOH A O 1 HETATM 6686 O O . HOH T 6 . ? -40.367 -17.432 5.794 1.00 41.24 ? 847 HOH A O 1 HETATM 6687 O O . HOH T 6 . ? -44.857 -8.986 14.309 1.00 45.34 ? 848 HOH A O 1 HETATM 6688 O O . HOH T 6 . ? -30.603 2.148 6.947 1.00 47.07 ? 849 HOH A O 1 HETATM 6689 O O . HOH T 6 . ? -7.910 -38.049 28.950 1.00 39.50 ? 851 HOH A O 1 HETATM 6690 O O . HOH T 6 . ? -19.186 -23.539 11.679 1.00 46.78 ? 854 HOH A O 1 HETATM 6691 O O . HOH T 6 . ? -6.671 -40.805 25.500 1.00 39.91 ? 855 HOH A O 1 HETATM 6692 O O . HOH T 6 . ? -10.659 -10.803 -5.446 1.00 44.19 ? 857 HOH A O 1 HETATM 6693 O O . HOH T 6 . ? -45.286 -14.104 40.915 1.00 45.63 ? 858 HOH A O 1 HETATM 6694 O O . HOH T 6 . ? -22.778 -8.388 47.306 1.00 43.48 ? 860 HOH A O 1 HETATM 6695 O O . HOH T 6 . ? -14.263 -40.021 13.645 1.00 45.79 ? 861 HOH A O 1 HETATM 6696 O O . HOH T 6 . ? -4.499 -0.484 24.437 1.00 47.36 ? 863 HOH A O 1 HETATM 6697 O O . HOH T 6 . ? -12.672 -18.938 6.331 1.00 49.60 ? 865 HOH A O 1 HETATM 6698 O O . HOH T 6 . ? -26.346 -17.400 46.512 1.00 44.92 ? 868 HOH A O 1 HETATM 6699 O O . HOH T 6 . ? -36.973 -31.174 32.590 1.00 44.92 ? 872 HOH A O 1 HETATM 6700 O O . HOH T 6 . ? -39.531 -14.318 40.506 1.00 46.02 ? 875 HOH A O 1 HETATM 6701 O O . HOH T 6 . ? -4.772 -20.560 -18.554 1.00 40.79 ? 876 HOH A O 1 HETATM 6702 O O . HOH T 6 . ? -28.630 -37.756 31.021 1.00 49.66 ? 877 HOH A O 1 HETATM 6703 O O . HOH T 6 . ? -43.117 -18.825 7.822 1.00 46.26 ? 878 HOH A O 1 HETATM 6704 O O . HOH T 6 . ? -6.223 -3.023 -4.432 1.00 46.99 ? 879 HOH A O 1 HETATM 6705 O O . HOH T 6 . ? -39.030 1.074 13.901 1.00 48.26 ? 881 HOH A O 1 HETATM 6706 O O . HOH T 6 . ? -15.199 -17.314 7.059 1.00 45.91 ? 886 HOH A O 1 HETATM 6707 O O . HOH T 6 . ? -54.722 -8.733 26.058 1.00 49.32 ? 888 HOH A O 1 HETATM 6708 O O . HOH T 6 . ? -46.564 -27.455 28.479 1.00 43.75 ? 892 HOH A O 1 HETATM 6709 O O . HOH T 6 . ? -41.024 2.203 32.474 1.00 53.61 ? 893 HOH A O 1 HETATM 6710 O O . HOH T 6 . ? -14.145 -21.707 -0.748 1.00 51.76 ? 894 HOH A O 1 HETATM 6711 O O . HOH T 6 . ? -30.428 3.225 34.824 1.00 30.65 ? 900 HOH A O 1 HETATM 6712 O O . HOH T 6 . ? -24.333 -6.061 8.733 1.00 37.51 ? 905 HOH A O 1 HETATM 6713 O O . HOH T 6 . ? -38.779 2.397 20.431 1.00 39.78 ? 906 HOH A O 1 HETATM 6714 O O . HOH T 6 . ? -41.067 -30.675 20.444 1.00 36.70 ? 907 HOH A O 1 HETATM 6715 O O . HOH T 6 . ? -26.673 -7.838 -0.541 1.00 44.03 ? 908 HOH A O 1 HETATM 6716 O O . HOH T 6 . ? -25.642 -5.784 1.491 1.00 37.75 ? 910 HOH A O 1 HETATM 6717 O O . HOH T 6 . ? -32.838 -31.962 37.423 1.00 52.11 ? 912 HOH A O 1 HETATM 6718 O O . HOH T 6 . ? -12.198 -32.012 32.743 1.00 42.85 ? 913 HOH A O 1 HETATM 6719 O O . HOH T 6 . ? -32.571 -7.327 4.291 1.00 44.66 ? 914 HOH A O 1 HETATM 6720 O O . HOH T 6 . ? -19.140 -0.003 -3.533 1.00 41.06 ? 915 HOH A O 1 HETATM 6721 O O . HOH T 6 . ? -42.976 -2.394 32.428 1.00 47.96 ? 918 HOH A O 1 HETATM 6722 O O . HOH T 6 . ? -13.312 -31.993 39.573 1.00 43.32 ? 919 HOH A O 1 HETATM 6723 O O . HOH T 6 . ? -52.024 -15.918 24.718 1.00 46.45 ? 920 HOH A O 1 HETATM 6724 O O . HOH T 6 . ? -39.296 7.056 21.433 1.00 50.17 ? 922 HOH A O 1 HETATM 6725 O O . HOH T 6 . ? -44.128 -14.864 43.197 1.00 55.39 ? 924 HOH A O 1 HETATM 6726 O O . HOH T 6 . ? -46.171 -7.179 35.119 1.00 44.44 ? 925 HOH A O 1 HETATM 6727 O O . HOH T 6 . ? -45.923 -2.445 22.254 1.00 50.85 ? 926 HOH A O 1 HETATM 6728 O O . HOH T 6 . ? -29.837 -34.962 35.430 1.00 40.83 ? 927 HOH A O 1 HETATM 6729 O O . HOH T 6 . ? -21.713 -5.651 -4.786 1.00 44.50 ? 928 HOH A O 1 HETATM 6730 O O . HOH T 6 . ? -35.146 -19.649 41.164 1.00 45.62 ? 929 HOH A O 1 HETATM 6731 O O . HOH T 6 . ? -35.532 6.343 13.849 1.00 48.17 ? 930 HOH A O 1 HETATM 6732 O O . HOH T 6 . ? -26.736 -26.209 8.757 1.00 52.17 ? 932 HOH A O 1 HETATM 6733 O O . HOH T 6 . ? -31.006 4.700 37.334 1.00 44.53 ? 934 HOH A O 1 HETATM 6734 O O . HOH T 6 . ? -47.468 -1.122 26.179 1.00 46.38 ? 935 HOH A O 1 HETATM 6735 O O . HOH T 6 . ? -31.151 -42.017 17.218 1.00 55.40 ? 937 HOH A O 1 HETATM 6736 O O . HOH T 6 . ? -49.608 -14.839 34.797 1.00 40.85 ? 938 HOH A O 1 HETATM 6737 O O . HOH T 6 . ? -43.949 -17.033 39.365 1.00 45.10 ? 939 HOH A O 1 HETATM 6738 O O . HOH T 6 . ? -25.534 -10.272 47.264 1.00 50.30 ? 942 HOH A O 1 HETATM 6739 O O . HOH T 6 . ? -33.636 -41.484 16.145 1.00 50.80 ? 943 HOH A O 1 HETATM 6740 O O . HOH T 6 . ? -30.370 -6.259 3.258 1.00 48.21 ? 945 HOH A O 1 HETATM 6741 O O . HOH T 6 . ? -12.352 -41.546 20.660 1.00 48.68 ? 947 HOH A O 1 HETATM 6742 O O . HOH U 6 . ? -50.106 -44.999 40.333 1.00 11.76 ? 4 HOH B O 1 HETATM 6743 O O . HOH U 6 . ? -17.109 -36.861 47.499 1.00 13.32 ? 6 HOH B O 1 HETATM 6744 O O . HOH U 6 . ? -42.622 -59.694 50.808 1.00 10.70 ? 7 HOH B O 1 HETATM 6745 O O . HOH U 6 . ? -32.461 -47.677 59.531 1.00 10.23 ? 14 HOH B O 1 HETATM 6746 O O . HOH U 6 . ? -43.601 -34.103 49.788 1.00 12.33 ? 15 HOH B O 1 HETATM 6747 O O . HOH U 6 . ? -47.653 -25.366 55.224 1.00 12.30 ? 17 HOH B O 1 HETATM 6748 O O . HOH U 6 . ? -24.273 -42.566 55.160 1.00 10.82 ? 18 HOH B O 1 HETATM 6749 O O . HOH U 6 . ? -40.705 -61.723 50.150 1.00 12.63 ? 22 HOH B O 1 HETATM 6750 O O . HOH U 6 . ? -44.112 -32.880 56.127 1.00 11.65 ? 23 HOH B O 1 HETATM 6751 O O . HOH U 6 . ? -24.748 -48.204 50.440 1.00 10.55 ? 24 HOH B O 1 HETATM 6752 O O . HOH U 6 . ? -48.284 -51.876 41.225 1.00 11.35 ? 25 HOH B O 1 HETATM 6753 O O . HOH U 6 . ? -48.605 -54.228 38.876 1.00 11.41 ? 26 HOH B O 1 HETATM 6754 O O . HOH U 6 . ? -28.433 -37.053 58.319 1.00 12.82 ? 29 HOH B O 1 HETATM 6755 O O . HOH U 6 . ? -18.474 -40.283 52.309 1.00 13.38 ? 31 HOH B O 1 HETATM 6756 O O . HOH U 6 . ? -35.921 -57.704 47.713 1.00 11.52 ? 33 HOH B O 1 HETATM 6757 O O . HOH U 6 . ? -39.965 -52.819 46.723 1.00 14.23 ? 34 HOH B O 1 HETATM 6758 O O . HOH U 6 . ? -29.836 -44.936 61.084 1.00 12.24 ? 36 HOH B O 1 HETATM 6759 O O . HOH U 6 . ? -23.921 -46.574 60.830 1.00 11.68 ? 37 HOH B O 1 HETATM 6760 O O . HOH U 6 . ? -14.989 -44.615 54.590 1.00 13.75 ? 38 HOH B O 1 HETATM 6761 O O . HOH U 6 . ? -36.398 -44.208 74.579 1.00 14.38 ? 41 HOH B O 1 HETATM 6762 O O . HOH U 6 . ? -14.534 -37.413 47.128 1.00 13.28 ? 42 HOH B O 1 HETATM 6763 O O . HOH U 6 . ? -22.766 -43.794 44.366 1.00 13.52 ? 44 HOH B O 1 HETATM 6764 O O . HOH U 6 . ? -17.088 -40.010 46.757 1.00 12.99 ? 45 HOH B O 1 HETATM 6765 O O . HOH U 6 . ? -35.146 -25.686 52.807 1.00 12.46 ? 47 HOH B O 1 HETATM 6766 O O . HOH U 6 . ? -34.229 -65.279 57.269 1.00 9.71 ? 48 HOH B O 1 HETATM 6767 O O . HOH U 6 . ? -41.163 -51.139 44.635 1.00 13.41 ? 51 HOH B O 1 HETATM 6768 O O . HOH U 6 . ? -22.579 -49.118 53.823 1.00 11.78 ? 52 HOH B O 1 HETATM 6769 O O . HOH U 6 . ? -38.048 -57.515 43.881 1.00 10.49 ? 61 HOH B O 1 HETATM 6770 O O . HOH U 6 . ? -15.651 -32.704 52.018 1.00 14.18 ? 62 HOH B O 1 HETATM 6771 O O . HOH U 6 . ? -20.006 -47.893 49.186 1.00 11.73 ? 65 HOH B O 1 HETATM 6772 O O . HOH U 6 . ? -37.201 -56.599 53.704 1.00 12.77 ? 66 HOH B O 1 HETATM 6773 O O . HOH U 6 . ? -42.144 -24.351 51.407 1.00 16.17 ? 67 HOH B O 1 HETATM 6774 O O . HOH U 6 . ? -22.333 -26.936 60.487 1.00 14.38 ? 69 HOH B O 1 HETATM 6775 O O . HOH U 6 . ? -43.389 -48.780 37.100 1.00 12.67 ? 70 HOH B O 1 HETATM 6776 O O . HOH U 6 . ? -30.514 -47.461 38.529 1.00 16.42 ? 71 HOH B O 1 HETATM 6777 O O . HOH U 6 . ? -30.970 -46.230 64.710 1.00 14.91 ? 73 HOH B O 1 HETATM 6778 O O . HOH U 6 . ? -20.118 -45.556 72.481 1.00 15.57 ? 76 HOH B O 1 HETATM 6779 O O . HOH U 6 . ? -29.809 -56.695 39.786 1.00 16.17 ? 78 HOH B O 1 HETATM 6780 O O . HOH U 6 . ? -39.639 -37.597 70.640 1.00 13.10 ? 81 HOH B O 1 HETATM 6781 O O . HOH U 6 . ? -34.269 -42.041 42.797 1.00 35.83 ? 473 HOH B O 1 HETATM 6782 O O . HOH U 6 . ? -19.376 -47.765 55.025 1.00 14.91 ? 474 HOH B O 1 HETATM 6783 O O . HOH U 6 . ? -12.070 -27.442 51.876 1.00 32.96 ? 475 HOH B O 1 HETATM 6784 O O . HOH U 6 . ? -45.968 -40.973 64.482 1.00 16.12 ? 476 HOH B O 1 HETATM 6785 O O . HOH U 6 . ? -11.018 -35.079 40.982 1.00 39.79 ? 477 HOH B O 1 HETATM 6786 O O . HOH U 6 . ? -45.259 -59.079 57.302 1.00 14.26 ? 478 HOH B O 1 HETATM 6787 O O . HOH U 6 . ? -26.707 -47.464 73.949 1.00 14.30 ? 479 HOH B O 1 HETATM 6788 O O . HOH U 6 . ? -15.312 -43.301 69.499 1.00 39.35 ? 480 HOH B O 1 HETATM 6789 O O . HOH U 6 . ? -10.159 -32.181 52.294 1.00 41.63 ? 481 HOH B O 1 HETATM 6790 O O . HOH U 6 . ? -40.432 -43.841 39.153 1.00 17.70 ? 482 HOH B O 1 HETATM 6791 O O . HOH U 6 . ? -44.209 -56.217 34.075 1.00 14.60 ? 483 HOH B O 1 HETATM 6792 O O . HOH U 6 . ? -28.746 -44.568 41.884 1.00 14.87 ? 484 HOH B O 1 HETATM 6793 O O . HOH U 6 . ? -16.925 -52.876 39.287 1.00 32.25 ? 485 HOH B O 1 HETATM 6794 O O . HOH U 6 . ? -22.018 -48.068 51.107 1.00 11.65 ? 486 HOH B O 1 HETATM 6795 O O . HOH U 6 . ? -28.654 -28.700 48.647 1.00 28.60 ? 487 HOH B O 1 HETATM 6796 O O . HOH U 6 . ? -38.632 -23.183 56.419 1.00 18.94 ? 488 HOH B O 1 HETATM 6797 O O . HOH U 6 . ? -30.254 -56.547 37.136 1.00 31.47 ? 489 HOH B O 1 HETATM 6798 O O . HOH U 6 . ? -42.332 -42.919 81.697 1.00 31.66 ? 490 HOH B O 1 HETATM 6799 O O . HOH U 6 . ? -27.990 -49.344 41.864 1.00 13.96 ? 491 HOH B O 1 HETATM 6800 O O . HOH U 6 . ? -33.846 -57.548 34.500 1.00 16.83 ? 492 HOH B O 1 HETATM 6801 O O . HOH U 6 . ? -29.259 -31.537 48.408 1.00 31.46 ? 493 HOH B O 1 HETATM 6802 O O . HOH U 6 . ? -39.733 -39.286 73.022 1.00 13.35 ? 494 HOH B O 1 HETATM 6803 O O . HOH U 6 . ? -5.018 -36.657 57.356 1.00 39.05 ? 495 HOH B O 1 HETATM 6804 O O . HOH U 6 . ? -52.085 -56.329 37.548 1.00 16.19 ? 496 HOH B O 1 HETATM 6805 O O . HOH U 6 . ? -39.253 -57.365 29.419 1.00 38.73 ? 497 HOH B O 1 HETATM 6806 O O . HOH U 6 . ? -33.778 -17.766 50.449 1.00 41.30 ? 498 HOH B O 1 HETATM 6807 O O . HOH U 6 . ? -28.806 -58.737 49.333 1.00 12.97 ? 499 HOH B O 1 HETATM 6808 O O . HOH U 6 . ? -25.704 -35.688 44.959 1.00 38.22 ? 500 HOH B O 1 HETATM 6809 O O . HOH U 6 . ? -9.699 -31.210 54.878 1.00 45.08 ? 501 HOH B O 1 HETATM 6810 O O . HOH U 6 . ? -19.563 -37.362 74.948 1.00 41.57 ? 502 HOH B O 1 HETATM 6811 O O . HOH U 6 . ? -27.479 -62.688 42.652 1.00 17.09 ? 503 HOH B O 1 HETATM 6812 O O . HOH U 6 . ? -30.241 -56.425 42.731 1.00 13.35 ? 504 HOH B O 1 HETATM 6813 O O . HOH U 6 . ? -43.179 -56.398 61.791 1.00 32.32 ? 505 HOH B O 1 HETATM 6814 O O . HOH U 6 . ? -13.991 -44.491 40.853 1.00 33.67 ? 506 HOH B O 1 HETATM 6815 O O . HOH U 6 . ? -20.000 -39.061 40.059 1.00 30.20 ? 507 HOH B O 1 HETATM 6816 O O . HOH U 6 . ? -11.935 -49.449 47.226 1.00 17.03 ? 508 HOH B O 1 HETATM 6817 O O . HOH U 6 . ? -38.581 -44.251 43.331 1.00 35.92 ? 509 HOH B O 1 HETATM 6818 O O . HOH U 6 . ? -10.116 -42.667 56.203 1.00 16.18 ? 510 HOH B O 1 HETATM 6819 O O . HOH U 6 . ? -31.508 -37.599 50.941 1.00 36.19 ? 511 HOH B O 1 HETATM 6820 O O . HOH U 6 . ? -29.716 -32.082 75.485 1.00 16.69 ? 512 HOH B O 1 HETATM 6821 O O . HOH U 6 . ? -36.656 -47.221 66.744 1.00 18.67 ? 513 HOH B O 1 HETATM 6822 O O . HOH U 6 . ? -51.043 -46.592 33.477 1.00 15.20 ? 514 HOH B O 1 HETATM 6823 O O . HOH U 6 . ? -30.225 -40.750 64.685 1.00 14.26 ? 515 HOH B O 1 HETATM 6824 O O . HOH U 6 . ? -38.490 -51.253 78.249 1.00 41.87 ? 516 HOH B O 1 HETATM 6825 O O . HOH U 6 . ? -18.546 -50.922 69.953 1.00 16.45 ? 517 HOH B O 1 HETATM 6826 O O . HOH U 6 . ? -11.686 -34.851 63.798 1.00 31.34 ? 518 HOH B O 1 HETATM 6827 O O . HOH U 6 . ? -29.007 -35.734 54.317 1.00 17.57 ? 519 HOH B O 1 HETATM 6828 O O . HOH U 6 . ? -19.035 -59.774 43.360 1.00 20.37 ? 520 HOH B O 1 HETATM 6829 O O . HOH U 6 . ? -35.582 -47.197 69.560 1.00 35.06 ? 521 HOH B O 1 HETATM 6830 O O . HOH U 6 . ? -15.575 -30.978 45.092 1.00 19.47 ? 522 HOH B O 1 HETATM 6831 O O . HOH U 6 . ? -12.622 -45.076 55.911 1.00 17.67 ? 523 HOH B O 1 HETATM 6832 O O . HOH U 6 . ? -30.734 -50.160 38.358 1.00 15.41 ? 524 HOH B O 1 HETATM 6833 O O . HOH U 6 . ? -17.610 -43.634 70.813 1.00 35.87 ? 525 HOH B O 1 HETATM 6834 O O . HOH U 6 . ? -8.026 -54.271 50.352 1.00 30.70 ? 526 HOH B O 1 HETATM 6835 O O . HOH U 6 . ? -20.680 -41.676 40.363 1.00 33.22 ? 527 HOH B O 1 HETATM 6836 O O . HOH U 6 . ? -39.677 -55.076 54.110 1.00 18.44 ? 528 HOH B O 1 HETATM 6837 O O . HOH U 6 . ? -12.770 -30.157 51.932 1.00 25.76 ? 529 HOH B O 1 HETATM 6838 O O . HOH U 6 . ? -45.452 -40.793 75.256 1.00 19.66 ? 530 HOH B O 1 HETATM 6839 O O . HOH U 6 . ? -15.173 -24.036 51.482 1.00 41.10 ? 531 HOH B O 1 HETATM 6840 O O . HOH U 6 . ? -15.742 -50.582 73.914 1.00 42.18 ? 532 HOH B O 1 HETATM 6841 O O . HOH U 6 . ? -43.479 -30.145 55.430 1.00 14.15 ? 533 HOH B O 1 HETATM 6842 O O . HOH U 6 . ? -27.717 -39.896 45.522 1.00 20.98 ? 534 HOH B O 1 HETATM 6843 O O . HOH U 6 . ? -51.542 -41.708 69.606 1.00 45.11 ? 535 HOH B O 1 HETATM 6844 O O . HOH U 6 . ? -35.247 -40.117 45.549 1.00 43.34 ? 536 HOH B O 1 HETATM 6845 O O . HOH U 6 . ? -28.493 -34.791 56.799 1.00 16.33 ? 537 HOH B O 1 HETATM 6846 O O . HOH U 6 . ? -36.875 -59.127 29.775 1.00 40.31 ? 538 HOH B O 1 HETATM 6847 O O . HOH U 6 . ? -45.196 -51.096 65.623 1.00 37.89 ? 539 HOH B O 1 HETATM 6848 O O . HOH U 6 . ? -4.183 -45.924 55.444 1.00 22.84 ? 540 HOH B O 1 HETATM 6849 O O . HOH U 6 . ? -30.099 -64.594 41.237 1.00 32.55 ? 541 HOH B O 1 HETATM 6850 O O . HOH U 6 . ? -8.619 -41.809 66.276 1.00 48.82 ? 542 HOH B O 1 HETATM 6851 O O . HOH U 6 . ? -10.209 -33.188 45.826 1.00 23.22 ? 543 HOH B O 1 HETATM 6852 O O . HOH U 6 . ? -38.932 -28.931 47.122 1.00 18.65 ? 544 HOH B O 1 HETATM 6853 O O . HOH U 6 . ? -47.309 -44.874 67.730 1.00 24.43 ? 545 HOH B O 1 HETATM 6854 O O . HOH U 6 . ? -29.008 -21.518 62.930 1.00 35.43 ? 546 HOH B O 1 HETATM 6855 O O . HOH U 6 . ? -36.408 -52.830 54.506 1.00 16.54 ? 547 HOH B O 1 HETATM 6856 O O . HOH U 6 . ? -26.678 -41.158 38.705 1.00 45.24 ? 548 HOH B O 1 HETATM 6857 O O . HOH U 6 . ? -45.381 -46.966 62.386 1.00 15.90 ? 549 HOH B O 1 HETATM 6858 O O . HOH U 6 . ? -36.476 -26.411 71.775 1.00 34.20 ? 550 HOH B O 1 HETATM 6859 O O . HOH U 6 . ? -25.804 -60.303 76.240 1.00 40.61 ? 551 HOH B O 1 HETATM 6860 O O . HOH U 6 . ? -25.536 -24.823 68.214 1.00 22.08 ? 552 HOH B O 1 HETATM 6861 O O . HOH U 6 . ? -29.790 -40.514 77.945 1.00 22.44 ? 553 HOH B O 1 HETATM 6862 O O . HOH U 6 . ? -30.768 -56.633 71.705 1.00 20.44 ? 554 HOH B O 1 HETATM 6863 O O . HOH U 6 . ? -13.254 -23.312 47.186 1.00 48.42 ? 555 HOH B O 1 HETATM 6864 O O . HOH U 6 . ? -14.589 -33.245 67.045 1.00 26.52 ? 556 HOH B O 1 HETATM 6865 O O . HOH U 6 . ? -31.458 -39.552 76.168 1.00 19.31 ? 557 HOH B O 1 HETATM 6866 O O . HOH U 6 . ? -32.117 -19.886 49.618 1.00 35.03 ? 558 HOH B O 1 HETATM 6867 O O . HOH U 6 . ? -32.261 -63.635 71.753 1.00 31.66 ? 559 HOH B O 1 HETATM 6868 O O . HOH U 6 . ? -35.369 -34.024 75.763 1.00 30.12 ? 560 HOH B O 1 HETATM 6869 O O . HOH U 6 . ? -17.438 -24.579 50.043 1.00 21.62 ? 561 HOH B O 1 HETATM 6870 O O . HOH U 6 . ? -32.548 -22.997 47.902 1.00 35.66 ? 562 HOH B O 1 HETATM 6871 O O . HOH U 6 . ? -31.937 -58.744 40.228 1.00 17.04 ? 563 HOH B O 1 HETATM 6872 O O . HOH U 6 . ? -5.877 -42.299 42.615 1.00 42.28 ? 564 HOH B O 1 HETATM 6873 O O . HOH U 6 . ? -28.978 -60.959 38.003 1.00 44.91 ? 565 HOH B O 1 HETATM 6874 O O . HOH U 6 . ? -53.663 -54.191 38.287 1.00 19.99 ? 566 HOH B O 1 HETATM 6875 O O . HOH U 6 . ? -30.846 -45.945 81.234 1.00 46.57 ? 567 HOH B O 1 HETATM 6876 O O . HOH U 6 . ? -49.733 -30.168 68.201 1.00 33.59 ? 568 HOH B O 1 HETATM 6877 O O . HOH U 6 . ? -16.929 -60.318 67.801 1.00 43.60 ? 569 HOH B O 1 HETATM 6878 O O . HOH U 6 . ? -48.925 -51.821 58.116 1.00 21.44 ? 570 HOH B O 1 HETATM 6879 O O . HOH U 6 . ? -52.691 -42.172 65.712 1.00 39.51 ? 571 HOH B O 1 HETATM 6880 O O . HOH U 6 . ? -36.531 -63.318 72.562 1.00 45.46 ? 572 HOH B O 1 HETATM 6881 O O . HOH U 6 . ? -29.837 -41.592 45.204 1.00 27.29 ? 573 HOH B O 1 HETATM 6882 O O . HOH U 6 . ? -17.962 -24.160 61.475 1.00 43.84 ? 574 HOH B O 1 HETATM 6883 O O . HOH U 6 . ? -33.029 -59.634 37.800 1.00 32.92 ? 575 HOH B O 1 HETATM 6884 O O . HOH U 6 . ? -19.002 -63.542 59.054 1.00 21.97 ? 576 HOH B O 1 HETATM 6885 O O . HOH U 6 . ? -48.329 -45.006 65.278 1.00 44.39 ? 577 HOH B O 1 HETATM 6886 O O . HOH U 6 . ? -34.119 -26.574 70.201 1.00 31.51 ? 578 HOH B O 1 HETATM 6887 O O . HOH U 6 . ? -41.299 -32.590 75.467 1.00 23.03 ? 579 HOH B O 1 HETATM 6888 O O . HOH U 6 . ? -7.241 -39.432 45.387 1.00 40.28 ? 580 HOH B O 1 HETATM 6889 O O . HOH U 6 . ? -27.516 -36.612 49.115 1.00 45.64 ? 581 HOH B O 1 HETATM 6890 O O . HOH U 6 . ? -22.331 -29.874 78.217 1.00 39.45 ? 582 HOH B O 1 HETATM 6891 O O . HOH U 6 . ? -35.178 -51.892 31.797 1.00 20.32 ? 583 HOH B O 1 HETATM 6892 O O . HOH U 6 . ? -24.969 -46.837 40.044 1.00 33.09 ? 584 HOH B O 1 HETATM 6893 O O . HOH U 6 . ? -51.691 -50.185 57.437 1.00 29.00 ? 585 HOH B O 1 HETATM 6894 O O . HOH U 6 . ? -29.491 -24.817 71.203 1.00 34.88 ? 586 HOH B O 1 HETATM 6895 O O . HOH U 6 . ? -25.698 -51.386 79.964 1.00 37.85 ? 587 HOH B O 1 HETATM 6896 O O . HOH U 6 . ? -13.465 -45.828 38.601 1.00 40.65 ? 588 HOH B O 1 HETATM 6897 O O . HOH U 6 . ? -16.344 -62.458 50.568 1.00 41.26 ? 589 HOH B O 1 HETATM 6898 O O . HOH U 6 . ? -28.453 -47.006 40.579 1.00 22.09 ? 590 HOH B O 1 HETATM 6899 O O . HOH U 6 . ? -18.915 -63.702 51.340 1.00 21.21 ? 591 HOH B O 1 HETATM 6900 O O . HOH U 6 . ? -7.222 -52.392 69.659 1.00 34.81 ? 592 HOH B O 1 HETATM 6901 O O . HOH U 6 . ? -21.806 -43.912 41.751 1.00 21.95 ? 593 HOH B O 1 HETATM 6902 O O . HOH U 6 . ? -32.454 -50.583 69.908 1.00 20.48 ? 594 HOH B O 1 HETATM 6903 O O . HOH U 6 . ? -21.343 -62.876 57.993 1.00 20.08 ? 595 HOH B O 1 HETATM 6904 O O . HOH U 6 . ? -3.960 -41.955 44.945 1.00 44.75 ? 596 HOH B O 1 HETATM 6905 O O . HOH U 6 . ? -12.399 -31.676 58.242 1.00 39.21 ? 597 HOH B O 1 HETATM 6906 O O . HOH U 6 . ? -20.795 -23.774 50.295 1.00 22.47 ? 598 HOH B O 1 HETATM 6907 O O . HOH U 6 . ? -31.859 -48.235 66.327 1.00 23.16 ? 599 HOH B O 1 HETATM 6908 O O . HOH U 6 . ? -19.265 -63.321 44.193 1.00 34.56 ? 600 HOH B O 1 HETATM 6909 O O . HOH U 6 . ? -56.813 -61.317 35.440 1.00 22.55 ? 602 HOH B O 1 HETATM 6910 O O . HOH U 6 . ? -18.541 -51.142 38.018 1.00 33.63 ? 603 HOH B O 1 HETATM 6911 O O . HOH U 6 . ? -43.320 -47.010 27.594 1.00 42.77 ? 604 HOH B O 1 HETATM 6912 O O . HOH U 6 . ? -52.030 -48.992 35.406 1.00 15.76 ? 605 HOH B O 1 HETATM 6913 O O . HOH U 6 . ? -18.526 -65.635 56.032 1.00 24.49 ? 606 HOH B O 1 HETATM 6914 O O . HOH U 6 . ? -21.022 -58.671 72.519 1.00 25.22 ? 607 HOH B O 1 HETATM 6915 O O . HOH U 6 . ? -26.595 -22.594 64.764 1.00 34.38 ? 608 HOH B O 1 HETATM 6916 O O . HOH U 6 . ? -33.442 -33.352 42.483 1.00 39.22 ? 609 HOH B O 1 HETATM 6917 O O . HOH U 6 . ? -47.823 -58.610 58.329 1.00 28.22 ? 610 HOH B O 1 HETATM 6918 O O . HOH U 6 . ? -13.172 -52.001 46.319 1.00 22.51 ? 611 HOH B O 1 HETATM 6919 O O . HOH U 6 . ? -47.082 -39.995 27.080 1.00 46.53 ? 612 HOH B O 1 HETATM 6920 O O . HOH U 6 . ? -38.546 -25.781 45.217 1.00 25.49 ? 613 HOH B O 1 HETATM 6921 O O . HOH U 6 . ? -33.235 -46.408 68.855 1.00 31.66 ? 614 HOH B O 1 HETATM 6922 O O . HOH U 6 . ? -12.010 -32.401 55.631 1.00 26.70 ? 615 HOH B O 1 HETATM 6923 O O . HOH U 6 . ? -7.448 -35.705 42.027 1.00 38.18 ? 616 HOH B O 1 HETATM 6924 O O . HOH U 6 . ? -39.022 -47.432 27.689 1.00 42.85 ? 617 HOH B O 1 HETATM 6925 O O . HOH U 6 . ? -22.366 -45.596 37.388 1.00 43.85 ? 618 HOH B O 1 HETATM 6926 O O . HOH U 6 . ? -47.713 -30.103 70.122 1.00 23.18 ? 619 HOH B O 1 HETATM 6927 O O . HOH U 6 . ? -46.719 -41.821 62.229 1.00 46.25 ? 620 HOH B O 1 HETATM 6928 O O . HOH U 6 . ? -27.667 -61.653 67.408 1.00 29.40 ? 621 HOH B O 1 HETATM 6929 O O . HOH U 6 . ? -9.843 -52.157 46.179 1.00 26.89 ? 622 HOH B O 1 HETATM 6930 O O . HOH U 6 . ? -26.394 -54.217 79.681 1.00 41.05 ? 623 HOH B O 1 HETATM 6931 O O . HOH U 6 . ? -19.235 -52.694 73.615 1.00 45.30 ? 624 HOH B O 1 HETATM 6932 O O . HOH U 6 . ? -37.851 -65.242 38.394 1.00 28.03 ? 625 HOH B O 1 HETATM 6933 O O . HOH U 6 . ? -32.856 -51.904 74.338 1.00 20.21 ? 626 HOH B O 1 HETATM 6934 O O . HOH U 6 . ? -43.014 -57.110 30.832 1.00 19.64 ? 627 HOH B O 1 HETATM 6935 O O . HOH U 6 . ? -12.496 -35.009 67.478 1.00 42.48 ? 628 HOH B O 1 HETATM 6936 O O . HOH U 6 . ? -31.865 -18.839 59.762 1.00 47.45 ? 629 HOH B O 1 HETATM 6937 O O . HOH U 6 . ? -13.079 -43.400 63.146 1.00 27.59 ? 630 HOH B O 1 HETATM 6938 O O . HOH U 6 . ? -5.750 -36.503 50.528 1.00 33.64 ? 631 HOH B O 1 HETATM 6939 O O . HOH U 6 . ? -32.216 -25.171 71.495 1.00 37.99 ? 632 HOH B O 1 HETATM 6940 O O . HOH U 6 . ? -1.821 -43.036 57.897 1.00 40.66 ? 633 HOH B O 1 HETATM 6941 O O . HOH U 6 . ? -26.024 -21.772 61.021 1.00 38.38 ? 634 HOH B O 1 HETATM 6942 O O . HOH U 6 . ? -33.154 -50.933 76.913 1.00 22.42 ? 635 HOH B O 1 HETATM 6943 O O . HOH U 6 . ? -49.533 -54.325 57.682 1.00 35.73 ? 636 HOH B O 1 HETATM 6944 O O . HOH U 6 . ? -27.907 -49.807 80.395 1.00 40.50 ? 637 HOH B O 1 HETATM 6945 O O . HOH U 6 . ? -16.495 -57.840 66.149 1.00 23.91 ? 638 HOH B O 1 HETATM 6946 O O . HOH U 6 . ? -16.006 -35.591 39.885 1.00 44.57 ? 639 HOH B O 1 HETATM 6947 O O . HOH U 6 . ? -35.169 -34.706 40.901 1.00 39.72 ? 640 HOH B O 1 HETATM 6948 O O . HOH U 6 . ? -16.767 -24.403 47.297 1.00 27.54 ? 641 HOH B O 1 HETATM 6949 O O . HOH U 6 . ? -38.434 -50.779 27.077 1.00 35.78 ? 642 HOH B O 1 HETATM 6950 O O . HOH U 6 . ? -46.916 -53.750 27.618 1.00 35.47 ? 643 HOH B O 1 HETATM 6951 O O . HOH U 6 . ? -25.193 -39.594 76.528 1.00 23.25 ? 644 HOH B O 1 HETATM 6952 O O . HOH U 6 . ? -5.444 -39.609 60.684 1.00 24.85 ? 645 HOH B O 1 HETATM 6953 O O . HOH U 6 . ? -22.636 -65.701 46.111 1.00 37.34 ? 646 HOH B O 1 HETATM 6954 O O . HOH U 6 . ? -6.225 -57.302 55.004 1.00 31.67 ? 647 HOH B O 1 HETATM 6955 O O . HOH U 6 . ? -44.813 -26.427 66.586 1.00 43.26 ? 648 HOH B O 1 HETATM 6956 O O . HOH U 6 . ? -1.825 -44.784 47.930 1.00 40.98 ? 649 HOH B O 1 HETATM 6957 O O . HOH U 6 . ? -18.583 -43.064 39.328 1.00 35.44 ? 650 HOH B O 1 HETATM 6958 O O . HOH U 6 . ? -2.416 -48.541 43.887 1.00 43.47 ? 651 HOH B O 1 HETATM 6959 O O . HOH U 6 . ? -26.966 -27.592 72.302 1.00 25.78 ? 652 HOH B O 1 HETATM 6960 O O . HOH U 6 . ? -40.466 -20.714 48.439 1.00 37.48 ? 653 HOH B O 1 HETATM 6961 O O . HOH U 6 . ? -16.724 -64.288 57.691 1.00 29.26 ? 654 HOH B O 1 HETATM 6962 O O . HOH U 6 . ? -20.060 -28.818 77.313 1.00 39.07 ? 655 HOH B O 1 HETATM 6963 O O . HOH U 6 . ? -6.350 -54.220 52.673 1.00 39.74 ? 656 HOH B O 1 HETATM 6964 O O . HOH U 6 . ? -13.464 -37.539 66.292 1.00 38.50 ? 657 HOH B O 1 HETATM 6965 O O . HOH U 6 . ? -33.069 -53.563 32.398 1.00 24.42 ? 658 HOH B O 1 HETATM 6966 O O . HOH U 6 . ? -40.768 -45.104 81.064 1.00 29.29 ? 659 HOH B O 1 HETATM 6967 O O . HOH U 6 . ? -26.223 -42.772 79.576 1.00 43.62 ? 660 HOH B O 1 HETATM 6968 O O . HOH U 6 . ? -19.161 -62.410 68.565 1.00 47.36 ? 661 HOH B O 1 HETATM 6969 O O . HOH U 6 . ? -51.549 -39.860 30.426 1.00 26.00 ? 663 HOH B O 1 HETATM 6970 O O . HOH U 6 . ? -38.019 -41.547 40.420 1.00 39.27 ? 664 HOH B O 1 HETATM 6971 O O . HOH U 6 . ? -41.065 -57.362 63.702 1.00 27.79 ? 665 HOH B O 1 HETATM 6972 O O . HOH U 6 . ? -33.089 -26.060 44.447 1.00 27.42 ? 666 HOH B O 1 HETATM 6973 O O . HOH U 6 . ? -49.813 -38.082 61.281 1.00 31.79 ? 667 HOH B O 1 HETATM 6974 O O . HOH U 6 . ? -35.774 -50.223 78.810 1.00 30.92 ? 668 HOH B O 1 HETATM 6975 O O . HOH U 6 . ? -39.672 -40.415 30.953 1.00 30.70 ? 669 HOH B O 1 HETATM 6976 O O . HOH U 6 . ? -53.057 -41.904 60.401 1.00 35.82 ? 670 HOH B O 1 HETATM 6977 O O . HOH U 6 . ? -31.074 -36.077 52.881 1.00 30.96 ? 671 HOH B O 1 HETATM 6978 O O . HOH U 6 . ? -12.698 -40.247 63.540 1.00 26.43 ? 672 HOH B O 1 HETATM 6979 O O . HOH U 6 . ? -35.313 -64.811 37.143 1.00 39.09 ? 673 HOH B O 1 HETATM 6980 O O . HOH U 6 . ? -39.198 -29.143 44.555 1.00 27.98 ? 674 HOH B O 1 HETATM 6981 O O . HOH U 6 . ? -46.800 -47.817 28.267 1.00 38.75 ? 675 HOH B O 1 HETATM 6982 O O . HOH U 6 . ? -35.290 -34.836 79.975 1.00 37.96 ? 676 HOH B O 1 HETATM 6983 O O . HOH U 6 . ? -39.704 -42.443 46.314 1.00 25.06 ? 677 HOH B O 1 HETATM 6984 O O . HOH U 6 . ? -8.753 -46.687 41.580 1.00 26.15 ? 678 HOH B O 1 HETATM 6985 O O . HOH U 6 . ? -25.162 -70.436 44.691 1.00 24.68 ? 679 HOH B O 1 HETATM 6986 O O . HOH U 6 . ? -5.403 -41.110 49.552 1.00 22.97 ? 680 HOH B O 1 HETATM 6987 O O . HOH U 6 . ? -25.751 -60.202 68.343 1.00 31.68 ? 681 HOH B O 1 HETATM 6988 O O . HOH U 6 . ? -15.819 -60.497 65.270 1.00 32.25 ? 682 HOH B O 1 HETATM 6989 O O . HOH U 6 . ? -7.970 -35.713 49.170 1.00 29.70 ? 683 HOH B O 1 HETATM 6990 O O . HOH U 6 . ? -54.559 -58.553 56.594 1.00 36.10 ? 684 HOH B O 1 HETATM 6991 O O . HOH U 6 . ? -21.236 -25.586 58.609 1.00 43.49 ? 685 HOH B O 1 HETATM 6992 O O . HOH U 6 . ? -21.750 -63.585 47.417 1.00 26.17 ? 686 HOH B O 1 HETATM 6993 O O . HOH U 6 . ? -11.301 -53.471 70.047 1.00 26.22 ? 687 HOH B O 1 HETATM 6994 O O . HOH U 6 . ? -31.334 -48.275 86.328 1.00 45.70 ? 688 HOH B O 1 HETATM 6995 O O . HOH U 6 . ? -36.115 -45.184 79.884 1.00 29.06 ? 689 HOH B O 1 HETATM 6996 O O . HOH U 6 . ? -26.504 -42.756 41.087 1.00 22.82 ? 690 HOH B O 1 HETATM 6997 O O . HOH U 6 . ? -9.852 -53.973 67.708 1.00 33.53 ? 691 HOH B O 1 HETATM 6998 O O . HOH U 6 . ? -41.701 -42.941 43.881 1.00 39.46 ? 692 HOH B O 1 HETATM 6999 O O . HOH U 6 . ? -19.026 -30.632 71.655 1.00 29.13 ? 693 HOH B O 1 HETATM 7000 O O . HOH U 6 . ? -23.520 -58.435 76.278 1.00 34.25 ? 694 HOH B O 1 HETATM 7001 O O . HOH U 6 . ? -36.088 -32.376 43.435 1.00 24.86 ? 695 HOH B O 1 HETATM 7002 O O . HOH U 6 . ? -49.528 -54.468 33.346 1.00 25.80 ? 696 HOH B O 1 HETATM 7003 O O . HOH U 6 . ? -48.909 -53.219 60.626 1.00 30.22 ? 697 HOH B O 1 HETATM 7004 O O . HOH U 6 . ? -20.932 -33.701 77.602 1.00 26.29 ? 698 HOH B O 1 HETATM 7005 O O . HOH U 6 . ? -14.914 -51.499 40.639 1.00 27.21 ? 699 HOH B O 1 HETATM 7006 O O . HOH U 6 . ? -43.169 -51.874 68.147 1.00 40.84 ? 700 HOH B O 1 HETATM 7007 O O . HOH U 6 . ? -13.599 -35.531 41.537 1.00 26.62 ? 701 HOH B O 1 HETATM 7008 O O . HOH U 6 . ? -30.924 -36.189 78.533 1.00 27.80 ? 702 HOH B O 1 HETATM 7009 O O . HOH U 6 . ? -27.594 -42.051 77.449 1.00 27.74 ? 703 HOH B O 1 HETATM 7010 O O . HOH U 6 . ? -47.684 -42.250 75.782 1.00 37.47 ? 704 HOH B O 1 HETATM 7011 O O . HOH U 6 . ? -32.953 -25.521 74.047 1.00 42.54 ? 705 HOH B O 1 HETATM 7012 O O . HOH U 6 . ? -24.818 -66.452 43.801 1.00 36.19 ? 706 HOH B O 1 HETATM 7013 O O . HOH U 6 . ? -52.424 -53.988 33.753 1.00 42.82 ? 707 HOH B O 1 HETATM 7014 O O . HOH U 6 . ? -48.683 -51.707 32.848 1.00 20.23 ? 708 HOH B O 1 HETATM 7015 O O . HOH U 6 . ? -47.502 -58.208 61.083 1.00 38.28 ? 709 HOH B O 1 HETATM 7016 O O . HOH U 6 . ? -18.192 -68.357 56.621 1.00 38.43 ? 710 HOH B O 1 HETATM 7017 O O . HOH U 6 . ? -31.579 -25.208 46.890 1.00 47.54 ? 711 HOH B O 1 HETATM 7018 O O . HOH U 6 . ? -4.838 -42.805 64.737 1.00 35.95 ? 712 HOH B O 1 HETATM 7019 O O . HOH U 6 . ? -2.157 -47.906 61.267 1.00 43.96 ? 713 HOH B O 1 HETATM 7020 O O . HOH U 6 . ? -12.788 -47.110 70.070 1.00 35.97 ? 714 HOH B O 1 HETATM 7021 O O . HOH U 6 . ? -23.312 -61.123 69.253 1.00 31.40 ? 715 HOH B O 1 HETATM 7022 O O . HOH U 6 . ? -19.390 -53.353 70.733 1.00 28.83 ? 716 HOH B O 1 HETATM 7023 O O . HOH U 6 . ? -15.364 -24.447 54.227 1.00 25.35 ? 717 HOH B O 1 HETATM 7024 O O . HOH U 6 . ? -21.160 -52.313 37.986 1.00 40.41 ? 718 HOH B O 1 HETATM 7025 O O . HOH U 6 . ? -17.039 -59.078 47.608 1.00 28.35 ? 719 HOH B O 1 HETATM 7026 O O . HOH U 6 . ? -28.679 -34.870 79.635 1.00 26.75 ? 720 HOH B O 1 HETATM 7027 O O . HOH U 6 . ? -30.403 -42.410 41.611 1.00 36.98 ? 721 HOH B O 1 HETATM 7028 O O . HOH U 6 . ? -48.018 -44.859 76.040 1.00 42.33 ? 722 HOH B O 1 HETATM 7029 O O . HOH U 6 . ? -19.352 -26.765 59.502 1.00 32.55 ? 723 HOH B O 1 HETATM 7030 O O . HOH U 6 . ? -3.229 -40.245 57.523 1.00 43.50 ? 724 HOH B O 1 HETATM 7031 O O . HOH U 6 . ? -18.630 -22.246 50.460 1.00 40.50 ? 725 HOH B O 1 HETATM 7032 O O . HOH U 6 . ? -18.747 -44.716 74.731 1.00 28.43 ? 726 HOH B O 1 HETATM 7033 O O . HOH U 6 . ? -32.431 -25.040 63.457 1.00 30.10 ? 727 HOH B O 1 HETATM 7034 O O . HOH U 6 . ? -34.617 -52.492 78.444 1.00 47.53 ? 728 HOH B O 1 HETATM 7035 O O . HOH U 6 . ? -40.912 -45.707 27.071 1.00 43.42 ? 729 HOH B O 1 HETATM 7036 O O . HOH U 6 . ? -6.352 -32.644 53.502 1.00 40.75 ? 730 HOH B O 1 HETATM 7037 O O . HOH U 6 . ? -44.806 -35.031 28.543 1.00 45.84 ? 731 HOH B O 1 HETATM 7038 O O . HOH U 6 . ? -17.759 -38.235 41.300 1.00 27.26 ? 732 HOH B O 1 HETATM 7039 O O . HOH U 6 . ? -6.588 -52.333 45.999 1.00 25.81 ? 733 HOH B O 1 HETATM 7040 O O . HOH U 6 . ? -1.210 -45.759 51.789 1.00 42.52 ? 734 HOH B O 1 HETATM 7041 O O . HOH U 6 . ? -11.734 -30.364 45.979 1.00 38.04 ? 735 HOH B O 1 HETATM 7042 O O . HOH U 6 . ? -45.419 -39.345 36.212 1.00 25.66 ? 736 HOH B O 1 HETATM 7043 O O . HOH U 6 . ? -29.682 -54.684 34.664 1.00 30.97 ? 737 HOH B O 1 HETATM 7044 O O . HOH U 6 . ? -11.615 -33.152 61.697 1.00 43.14 ? 738 HOH B O 1 HETATM 7045 O O . HOH U 6 . ? -33.404 -36.826 79.768 1.00 29.79 ? 739 HOH B O 1 HETATM 7046 O O . HOH U 6 . ? -20.039 -50.218 74.021 1.00 26.60 ? 740 HOH B O 1 HETATM 7047 O O . HOH U 6 . ? -9.471 -25.282 46.566 1.00 43.28 ? 741 HOH B O 1 HETATM 7048 O O . HOH U 6 . ? -34.115 -51.439 82.411 1.00 45.30 ? 742 HOH B O 1 HETATM 7049 O O . HOH U 6 . ? -27.710 -22.109 52.028 1.00 32.60 ? 743 HOH B O 1 HETATM 7050 O O . HOH U 6 . ? -12.939 -27.690 47.826 1.00 32.14 ? 744 HOH B O 1 HETATM 7051 O O . HOH U 6 . ? -51.590 -43.709 59.319 1.00 28.23 ? 745 HOH B O 1 HETATM 7052 O O . HOH U 6 . ? -51.226 -56.129 57.973 1.00 46.88 ? 746 HOH B O 1 HETATM 7053 O O . HOH U 6 . ? -11.152 -37.462 64.381 1.00 33.83 ? 747 HOH B O 1 HETATM 7054 O O . HOH U 6 . ? -21.331 -27.739 79.417 1.00 43.97 ? 748 HOH B O 1 HETATM 7055 O O . HOH U 6 . ? -22.576 -64.750 43.699 1.00 30.18 ? 749 HOH B O 1 HETATM 7056 O O . HOH U 6 . ? -34.764 -24.168 62.391 1.00 25.33 ? 750 HOH B O 1 HETATM 7057 O O . HOH U 6 . ? -20.552 -44.112 76.909 1.00 29.25 ? 752 HOH B O 1 HETATM 7058 O O . HOH U 6 . ? -8.909 -37.217 65.992 1.00 49.75 ? 753 HOH B O 1 HETATM 7059 O O . HOH U 6 . ? -13.563 -24.792 44.983 1.00 31.10 ? 754 HOH B O 1 HETATM 7060 O O . HOH U 6 . ? -26.077 -64.154 68.010 1.00 28.80 ? 755 HOH B O 1 HETATM 7061 O O . HOH U 6 . ? -6.783 -41.433 47.305 1.00 38.70 ? 756 HOH B O 1 HETATM 7062 O O . HOH U 6 . ? -22.299 -32.489 79.687 1.00 27.34 ? 757 HOH B O 1 HETATM 7063 O O . HOH U 6 . ? -19.490 -26.597 68.158 1.00 32.06 ? 758 HOH B O 1 HETATM 7064 O O . HOH U 6 . ? -10.441 -34.286 48.594 1.00 33.46 ? 759 HOH B O 1 HETATM 7065 O O . HOH U 6 . ? -8.930 -48.833 39.938 1.00 38.37 ? 760 HOH B O 1 HETATM 7066 O O . HOH U 6 . ? -15.153 -58.626 45.205 1.00 41.65 ? 761 HOH B O 1 HETATM 7067 O O . HOH U 6 . ? -17.669 -48.950 74.687 1.00 37.34 ? 762 HOH B O 1 HETATM 7068 O O . HOH U 6 . ? -48.783 -50.996 30.260 1.00 35.65 ? 763 HOH B O 1 HETATM 7069 O O . HOH U 6 . ? -27.470 -33.823 48.752 1.00 35.25 ? 764 HOH B O 1 HETATM 7070 O O . HOH U 6 . ? -9.227 -58.123 65.420 1.00 35.54 ? 765 HOH B O 1 HETATM 7071 O O . HOH U 6 . ? -3.640 -43.881 62.288 1.00 28.33 ? 766 HOH B O 1 HETATM 7072 O O . HOH U 6 . ? -51.890 -57.999 56.393 1.00 27.49 ? 767 HOH B O 1 HETATM 7073 O O . HOH U 6 . ? -38.306 -63.583 74.658 1.00 44.17 ? 768 HOH B O 1 HETATM 7074 O O . HOH U 6 . ? -17.108 -32.852 72.816 1.00 36.04 ? 769 HOH B O 1 HETATM 7075 O O . HOH U 6 . ? -14.343 -63.426 56.248 1.00 31.28 ? 770 HOH B O 1 HETATM 7076 O O . HOH U 6 . ? -46.527 -57.791 34.309 1.00 20.34 ? 771 HOH B O 1 HETATM 7077 O O . HOH U 6 . ? -47.479 -36.533 49.692 1.00 29.72 ? 772 HOH B O 1 HETATM 7078 O O . HOH U 6 . ? -46.316 -48.593 69.043 1.00 33.18 ? 773 HOH B O 1 HETATM 7079 O O . HOH U 6 . ? -38.121 -41.804 32.580 1.00 40.69 ? 774 HOH B O 1 HETATM 7080 O O . HOH U 6 . ? -36.502 -32.109 77.073 1.00 33.60 ? 775 HOH B O 1 HETATM 7081 O O . HOH U 6 . ? -46.328 -34.428 72.745 1.00 30.24 ? 776 HOH B O 1 HETATM 7082 O O . HOH U 6 . ? -5.439 -36.738 54.542 1.00 29.61 ? 777 HOH B O 1 HETATM 7083 O O . HOH U 6 . ? -2.146 -47.541 49.878 1.00 42.91 ? 778 HOH B O 1 HETATM 7084 O O . HOH U 6 . ? -37.474 -26.658 42.901 1.00 49.18 ? 779 HOH B O 1 HETATM 7085 O O . HOH U 6 . ? -25.413 -22.244 53.549 1.00 40.08 ? 780 HOH B O 1 HETATM 7086 O O . HOH U 6 . ? -7.450 -23.327 46.199 1.00 37.21 ? 781 HOH B O 1 HETATM 7087 O O . HOH U 6 . ? -24.352 -44.318 40.676 1.00 29.57 ? 782 HOH B O 1 HETATM 7088 O O . HOH U 6 . ? -38.839 -41.569 28.674 1.00 41.24 ? 783 HOH B O 1 HETATM 7089 O O . HOH U 6 . ? -39.116 -26.786 67.013 1.00 38.11 ? 784 HOH B O 1 HETATM 7090 O O . HOH U 6 . ? -49.276 -38.317 70.392 1.00 34.73 ? 785 HOH B O 1 HETATM 7091 O O . HOH U 6 . ? -38.655 -39.808 43.325 1.00 45.30 ? 786 HOH B O 1 HETATM 7092 O O . HOH U 6 . ? -13.182 -55.607 68.363 1.00 46.51 ? 787 HOH B O 1 HETATM 7093 O O . HOH U 6 . ? -15.789 -42.843 39.449 1.00 43.06 ? 788 HOH B O 1 HETATM 7094 O O . HOH U 6 . ? -47.915 -50.165 27.756 1.00 46.88 ? 789 HOH B O 1 HETATM 7095 O O . HOH U 6 . ? -40.513 -43.038 27.206 1.00 37.51 ? 790 HOH B O 1 HETATM 7096 O O . HOH U 6 . ? -34.454 -62.608 38.165 1.00 35.85 ? 791 HOH B O 1 HETATM 7097 O O . HOH U 6 . ? -36.842 -42.346 42.592 1.00 38.42 ? 792 HOH B O 1 HETATM 7098 O O . HOH U 6 . ? -37.187 -38.632 78.678 1.00 38.43 ? 793 HOH B O 1 HETATM 7099 O O . HOH U 6 . ? -24.243 -28.158 77.328 1.00 42.56 ? 794 HOH B O 1 HETATM 7100 O O . HOH U 6 . ? -46.541 -35.833 14.900 1.00 36.47 ? 795 HOH B O 1 HETATM 7101 O O . HOH U 6 . ? -13.942 -57.000 66.317 1.00 29.31 ? 796 HOH B O 1 HETATM 7102 O O . HOH U 6 . ? -8.786 -63.020 59.741 1.00 43.03 ? 797 HOH B O 1 HETATM 7103 O O . HOH U 6 . ? -22.639 -23.111 53.609 1.00 44.27 ? 798 HOH B O 1 HETATM 7104 O O . HOH U 6 . ? -47.951 -47.000 70.674 1.00 44.65 ? 799 HOH B O 1 HETATM 7105 O O . HOH U 6 . ? -22.009 -37.076 39.853 1.00 44.93 ? 800 HOH B O 1 HETATM 7106 O O . HOH U 6 . ? -40.615 -23.713 63.932 1.00 42.53 ? 807 HOH B O 1 HETATM 7107 O O . HOH U 6 . ? -38.256 -17.731 55.820 1.00 45.67 ? 808 HOH B O 1 HETATM 7108 O O . HOH U 6 . ? -22.015 -25.295 67.669 1.00 42.47 ? 809 HOH B O 1 HETATM 7109 O O . HOH U 6 . ? -20.377 -64.594 42.124 1.00 47.49 ? 810 HOH B O 1 HETATM 7110 O O . HOH U 6 . ? -4.944 -51.252 50.716 1.00 32.66 ? 811 HOH B O 1 HETATM 7111 O O . HOH U 6 . ? -40.503 -27.653 71.053 1.00 28.56 ? 812 HOH B O 1 HETATM 7112 O O . HOH U 6 . ? -7.030 -35.225 52.781 1.00 28.31 ? 813 HOH B O 1 HETATM 7113 O O . HOH U 6 . ? -18.910 -21.350 52.915 1.00 49.99 ? 814 HOH B O 1 HETATM 7114 O O . HOH U 6 . ? -18.375 -35.678 73.281 1.00 39.98 ? 815 HOH B O 1 HETATM 7115 O O . HOH U 6 . ? -22.685 -34.787 41.263 1.00 43.66 ? 816 HOH B O 1 HETATM 7116 O O . HOH U 6 . ? -1.703 -42.885 60.567 1.00 48.97 ? 817 HOH B O 1 HETATM 7117 O O . HOH U 6 . ? -11.269 -63.880 61.603 1.00 47.34 ? 818 HOH B O 1 HETATM 7118 O O . HOH U 6 . ? -13.913 -41.396 68.192 1.00 48.46 ? 819 HOH B O 1 HETATM 7119 O O . HOH U 6 . ? -18.462 -38.305 72.603 1.00 33.70 ? 820 HOH B O 1 HETATM 7120 O O . HOH U 6 . ? -35.036 -49.769 69.416 1.00 30.35 ? 821 HOH B O 1 HETATM 7121 O O . HOH U 6 . ? -17.688 -33.539 39.739 1.00 27.96 ? 822 HOH B O 1 HETATM 7122 O O . HOH U 6 . ? -13.196 -58.210 76.493 1.00 53.58 ? 823 HOH B O 1 HETATM 7123 O O . HOH U 6 . ? -17.129 -52.027 72.285 1.00 37.60 ? 824 HOH B O 1 HETATM 7124 O O . HOH U 6 . ? -51.217 -44.243 64.454 1.00 40.10 ? 827 HOH B O 1 HETATM 7125 O O . HOH U 6 . ? -24.309 -59.783 33.875 1.00 50.72 ? 828 HOH B O 1 HETATM 7126 O O . HOH U 6 . ? -2.086 -39.014 54.828 1.00 44.09 ? 829 HOH B O 1 HETATM 7127 O O . HOH U 6 . ? -4.791 -39.286 53.739 1.00 28.95 ? 830 HOH B O 1 HETATM 7128 O O . HOH U 6 . ? -6.039 -59.671 56.823 1.00 50.43 ? 831 HOH B O 1 HETATM 7129 O O . HOH U 6 . ? -1.549 -46.271 54.585 1.00 30.69 ? 832 HOH B O 1 HETATM 7130 O O . HOH U 6 . ? -20.360 -23.757 62.584 1.00 48.74 ? 833 HOH B O 1 HETATM 7131 O O . HOH U 6 . ? -36.529 -16.999 53.648 1.00 45.27 ? 834 HOH B O 1 HETATM 7132 O O . HOH U 6 . ? -50.982 -50.755 59.989 1.00 44.30 ? 835 HOH B O 1 HETATM 7133 O O . HOH U 6 . ? -20.196 -64.952 49.257 1.00 30.76 ? 836 HOH B O 1 HETATM 7134 O O . HOH U 6 . ? -21.724 -68.091 46.849 1.00 50.61 ? 837 HOH B O 1 HETATM 7135 O O . HOH U 6 . ? -12.831 -55.858 49.283 1.00 40.48 ? 838 HOH B O 1 HETATM 7136 O O . HOH U 6 . ? -7.719 -31.489 60.252 1.00 48.64 ? 839 HOH B O 1 HETATM 7137 O O . HOH U 6 . ? -14.748 -54.285 46.579 1.00 29.28 ? 840 HOH B O 1 HETATM 7138 O O . HOH U 6 . ? -47.411 -49.096 63.417 1.00 32.40 ? 841 HOH B O 1 HETATM 7139 O O . HOH U 6 . ? -34.322 -26.283 67.510 1.00 33.47 ? 842 HOH B O 1 HETATM 7140 O O . HOH U 6 . ? -23.983 -67.599 66.440 1.00 44.60 ? 843 HOH B O 1 HETATM 7141 O O . HOH U 6 . ? -28.502 -43.132 81.311 1.00 44.32 ? 844 HOH B O 1 HETATM 7142 O O . HOH U 6 . ? -43.815 -40.291 39.783 1.00 44.38 ? 845 HOH B O 1 HETATM 7143 O O . HOH U 6 . ? -29.021 -48.894 30.560 1.00 38.99 ? 846 HOH B O 1 HETATM 7144 O O . HOH U 6 . ? -51.260 -49.308 32.761 1.00 33.68 ? 847 HOH B O 1 HETATM 7145 O O . HOH U 6 . ? -27.796 -23.973 66.987 1.00 36.72 ? 848 HOH B O 1 HETATM 7146 O O . HOH U 6 . ? -15.711 -29.387 65.528 1.00 29.51 ? 849 HOH B O 1 HETATM 7147 O O . HOH U 6 . ? -8.849 -31.727 62.759 1.00 46.76 ? 850 HOH B O 1 HETATM 7148 O O . HOH U 6 . ? -20.417 -27.232 70.684 1.00 30.21 ? 851 HOH B O 1 HETATM 7149 O O . HOH U 6 . ? -17.000 -25.176 67.608 1.00 44.84 ? 852 HOH B O 1 HETATM 7150 O O . HOH U 6 . ? -30.745 -52.667 31.056 1.00 45.20 ? 853 HOH B O 1 HETATM 7151 O O . HOH U 6 . ? -41.294 -19.689 61.972 1.00 36.75 ? 854 HOH B O 1 HETATM 7152 O O . HOH U 6 . ? -37.747 -24.321 63.507 1.00 35.24 ? 855 HOH B O 1 HETATM 7153 O O . HOH U 6 . ? -17.681 -31.391 75.223 1.00 44.48 ? 856 HOH B O 1 HETATM 7154 O O . HOH U 6 . ? -45.954 -56.458 27.577 1.00 48.45 ? 857 HOH B O 1 HETATM 7155 O O . HOH U 6 . ? -17.641 -59.535 72.921 1.00 35.50 ? 858 HOH B O 1 HETATM 7156 O O . HOH U 6 . ? -32.744 -36.194 45.305 1.00 47.03 ? 859 HOH B O 1 HETATM 7157 O O . HOH U 6 . ? -27.464 -65.939 44.447 1.00 32.71 ? 860 HOH B O 1 HETATM 7158 O O . HOH U 6 . ? -15.632 -32.066 69.301 1.00 39.13 ? 861 HOH B O 1 HETATM 7159 O O . HOH U 6 . ? -37.036 -18.819 59.011 1.00 48.66 ? 862 HOH B O 1 HETATM 7160 O O . HOH U 6 . ? -35.795 -36.942 47.888 1.00 32.88 ? 863 HOH B O 1 HETATM 7161 O O . HOH U 6 . ? -13.148 -44.573 70.322 1.00 46.17 ? 864 HOH B O 1 HETATM 7162 O O . HOH U 6 . ? -37.313 -23.293 46.141 1.00 29.22 ? 865 HOH B O 1 HETATM 7163 O O . HOH U 6 . ? -9.172 -54.062 71.716 1.00 48.14 ? 866 HOH B O 1 HETATM 7164 O O . HOH U 6 . ? -29.049 -61.874 78.572 1.00 50.51 ? 867 HOH B O 1 HETATM 7165 O O . HOH U 6 . ? -46.557 -43.995 63.455 1.00 28.99 ? 868 HOH B O 1 HETATM 7166 O O . HOH U 6 . ? -31.823 -66.760 40.864 1.00 41.58 ? 869 HOH B O 1 HETATM 7167 O O . HOH U 6 . ? -24.681 -47.336 79.554 1.00 41.59 ? 870 HOH B O 1 HETATM 7168 O O . HOH U 6 . ? -21.907 -50.546 35.996 1.00 49.47 ? 871 HOH B O 1 HETATM 7169 O O . HOH U 6 . ? -24.569 -36.045 79.979 1.00 32.20 ? 872 HOH B O 1 HETATM 7170 O O . HOH U 6 . ? -48.771 -40.044 30.949 1.00 43.98 ? 873 HOH B O 1 HETATM 7171 O O . HOH U 6 . ? -41.064 -63.993 48.521 1.00 35.90 ? 874 HOH B O 1 HETATM 7172 O O . HOH U 6 . ? -21.709 -68.857 49.484 1.00 33.39 ? 875 HOH B O 1 HETATM 7173 O O . HOH U 6 . ? -2.881 -42.423 48.942 1.00 36.53 ? 876 HOH B O 1 HETATM 7174 O O . HOH U 6 . ? -36.360 -18.603 51.398 1.00 36.88 ? 877 HOH B O 1 HETATM 7175 O O . HOH U 6 . ? -3.959 -54.502 62.032 1.00 47.14 ? 878 HOH B O 1 HETATM 7176 O O . HOH U 6 . ? -4.593 -38.973 51.047 1.00 29.50 ? 879 HOH B O 1 HETATM 7177 O O . HOH U 6 . ? -9.881 -32.983 42.154 1.00 49.77 ? 880 HOH B O 1 HETATM 7178 O O . HOH U 6 . ? -19.477 -67.310 52.208 1.00 40.88 ? 881 HOH B O 1 HETATM 7179 O O . HOH U 6 . ? -8.693 -56.564 67.857 1.00 50.34 ? 882 HOH B O 1 HETATM 7180 O O . HOH U 6 . ? -34.985 -40.624 35.492 1.00 42.63 ? 883 HOH B O 1 HETATM 7181 O O . HOH U 6 . ? -32.857 -39.674 42.276 1.00 41.22 ? 884 HOH B O 1 HETATM 7182 O O . HOH U 6 . ? -15.650 -57.417 77.268 1.00 43.37 ? 885 HOH B O 1 HETATM 7183 O O . HOH U 6 . ? -11.105 -25.713 44.437 1.00 31.38 ? 886 HOH B O 1 HETATM 7184 O O . HOH U 6 . ? -41.294 -25.335 67.808 1.00 40.11 ? 887 HOH B O 1 HETATM 7185 O O . HOH U 6 . ? -25.990 -49.414 33.310 1.00 31.15 ? 888 HOH B O 1 HETATM 7186 O O . HOH U 6 . ? -16.445 -29.234 69.839 1.00 53.75 ? 889 HOH B O 1 HETATM 7187 O O . HOH U 6 . ? -5.182 -36.955 61.319 1.00 42.55 ? 890 HOH B O 1 HETATM 7188 O O . HOH U 6 . ? -10.773 -50.588 39.325 1.00 45.42 ? 891 HOH B O 1 HETATM 7189 O O . HOH U 6 . ? -36.540 -29.266 43.575 1.00 30.23 ? 892 HOH B O 1 HETATM 7190 O O . HOH U 6 . ? -21.463 -23.562 57.250 1.00 46.17 ? 893 HOH B O 1 HETATM 7191 O O . HOH U 6 . ? -17.758 -68.328 64.256 1.00 37.73 ? 894 HOH B O 1 HETATM 7192 O O . HOH U 6 . ? -34.215 -49.720 65.383 1.00 22.25 ? 895 HOH B O 1 HETATM 7193 O O . HOH U 6 . ? -48.322 -40.196 61.331 1.00 26.96 ? 896 HOH B O 1 HETATM 7194 O O . HOH U 6 . ? -33.833 -34.939 47.601 1.00 36.41 ? 897 HOH B O 1 HETATM 7195 O O . HOH U 6 . ? -32.525 -34.870 49.842 1.00 42.87 ? 898 HOH B O 1 HETATM 7196 O O . HOH U 6 . ? -14.552 -27.150 61.953 1.00 32.19 ? 899 HOH B O 1 HETATM 7197 O O . HOH U 6 . ? -46.684 -40.457 32.679 1.00 30.24 ? 900 HOH B O 1 HETATM 7198 O O . HOH U 6 . ? -12.094 -38.322 36.363 1.00 46.14 ? 901 HOH B O 1 HETATM 7199 O O . HOH U 6 . ? -53.428 -38.506 62.856 1.00 44.60 ? 902 HOH B O 1 HETATM 7200 O O . HOH U 6 . ? -52.028 -46.032 30.990 1.00 35.93 ? 903 HOH B O 1 HETATM 7201 O O . HOH U 6 . ? -8.494 -49.846 73.830 1.00 41.46 ? 904 HOH B O 1 HETATM 7202 O O . HOH U 6 . ? -16.523 -59.084 42.653 1.00 37.97 ? 905 HOH B O 1 HETATM 7203 O O . HOH U 6 . ? -52.066 -39.436 60.797 1.00 40.12 ? 906 HOH B O 1 HETATM 7204 O O . HOH U 6 . ? -11.438 -56.739 64.721 1.00 30.35 ? 907 HOH B O 1 HETATM 7205 O O . HOH U 6 . ? -2.908 -51.968 58.307 1.00 38.62 ? 908 HOH B O 1 HETATM 7206 O O . HOH U 6 . ? -30.751 -24.043 73.508 1.00 50.20 ? 909 HOH B O 1 HETATM 7207 O O . HOH U 6 . ? -25.991 -65.748 70.425 1.00 40.65 ? 910 HOH B O 1 HETATM 7208 O O . HOH U 6 . ? -33.675 -39.152 47.447 1.00 51.38 ? 911 HOH B O 1 HETATM 7209 O O . HOH U 6 . ? -21.434 -25.240 78.715 1.00 52.02 ? 912 HOH B O 1 HETATM 7210 O O . HOH U 6 . ? -32.890 -56.336 32.111 1.00 47.26 ? 913 HOH B O 1 HETATM 7211 O O . HOH U 6 . ? -22.008 -22.947 59.967 1.00 48.02 ? 914 HOH B O 1 HETATM 7212 O O . HOH U 6 . ? -45.987 -33.360 75.156 1.00 50.57 ? 915 HOH B O 1 HETATM 7213 O O . HOH U 6 . ? -31.851 -47.344 83.345 1.00 41.44 ? 916 HOH B O 1 HETATM 7214 O O . HOH U 6 . ? -47.652 -31.202 74.828 1.00 53.48 ? 917 HOH B O 1 HETATM 7215 O O . HOH U 6 . ? -11.814 -59.641 78.374 1.00 50.57 ? 921 HOH B O 1 HETATM 7216 O O . HOH U 6 . ? -33.645 -53.720 28.168 1.00 44.32 ? 923 HOH B O 1 HETATM 7217 O O . HOH U 6 . ? -9.461 -38.596 37.483 1.00 49.86 ? 931 HOH B O 1 HETATM 7218 O O . HOH U 6 . ? -5.143 -49.525 71.162 1.00 50.53 ? 933 HOH B O 1 HETATM 7219 O O . HOH U 6 . ? -36.274 -52.620 25.739 1.00 47.87 ? 936 HOH B O 1 HETATM 7220 O O . HOH U 6 . ? -9.201 -46.839 71.945 1.00 40.62 ? 940 HOH B O 1 HETATM 7221 O O . HOH U 6 . ? -38.947 -53.577 25.329 1.00 51.03 ? 941 HOH B O 1 HETATM 7222 O O . HOH U 6 . ? -12.518 -25.620 53.993 1.00 43.34 ? 944 HOH B O 1 HETATM 7223 O O . HOH U 6 . ? -15.444 -29.947 74.741 1.00 42.54 ? 946 HOH B O 1 HETATM 7224 O O . HOH U 6 . ? -40.687 -35.065 24.059 1.00 55.68 ? 948 HOH B O 1 HETATM 7225 O O . HOH U 6 . ? -10.474 -44.927 40.219 1.00 43.62 ? 949 HOH B O 1 # loop_ _atom_site_anisotrop.id _atom_site_anisotrop.type_symbol _atom_site_anisotrop.pdbx_label_atom_id _atom_site_anisotrop.pdbx_label_alt_id _atom_site_anisotrop.pdbx_label_comp_id _atom_site_anisotrop.pdbx_label_asym_id _atom_site_anisotrop.pdbx_label_seq_id _atom_site_anisotrop.pdbx_PDB_ins_code _atom_site_anisotrop.U[1][1] _atom_site_anisotrop.U[2][2] _atom_site_anisotrop.U[3][3] _atom_site_anisotrop.U[1][2] _atom_site_anisotrop.U[1][3] _atom_site_anisotrop.U[2][3] _atom_site_anisotrop.pdbx_auth_seq_id _atom_site_anisotrop.pdbx_auth_comp_id _atom_site_anisotrop.pdbx_auth_asym_id _atom_site_anisotrop.pdbx_auth_atom_id 1 N N . PRO A 1 ? 0.4641 0.5221 0.5309 -0.0749 -0.0247 -0.0695 82 PRO A N 2 C CA . PRO A 1 ? 0.4452 0.4965 0.4917 -0.0742 -0.0194 -0.0707 82 PRO A CA 3 C C . PRO A 1 ? 0.4008 0.4462 0.3989 -0.0598 -0.0235 -0.0649 82 PRO A C 4 O O . PRO A 1 ? 0.3985 0.4425 0.4153 -0.0422 -0.0239 -0.0421 82 PRO A O 5 C CB . PRO A 1 ? 0.4675 0.5171 0.5463 -0.0738 -0.0172 -0.0719 82 PRO A CB 6 C CG . PRO A 1 ? 0.4837 0.5319 0.5632 -0.0693 -0.0230 -0.0690 82 PRO A CG 7 C CD . PRO A 1 ? 0.4792 0.5306 0.5585 -0.0727 -0.0242 -0.0713 82 PRO A CD 8 N N . GLU A 2 ? 0.3492 0.3977 0.2945 -0.0653 -0.0413 -0.0802 83 GLU A N 9 C CA . GLU A 2 ? 0.3240 0.3672 0.2629 -0.0675 -0.0256 -0.0735 83 GLU A CA 10 C C . GLU A 2 ? 0.2632 0.2963 0.2002 -0.0592 -0.0167 -0.0536 83 GLU A C 11 O O . GLU A 2 ? 0.2575 0.2565 0.2013 -0.0707 0.0097 -0.0343 83 GLU A O 12 C CB . GLU A 2 ? 0.3782 0.4173 0.3637 -0.0842 -0.0369 -0.0876 83 GLU A CB 13 C CG . GLU A 2 ? 0.4389 0.4644 0.4946 -0.0906 -0.0201 -0.0788 83 GLU A CG 14 C CD . GLU A 2 ? 0.4960 0.5091 0.6583 -0.0878 -0.0067 -0.0345 83 GLU A CD 15 O OE1 . GLU A 2 ? 0.5160 0.5172 0.7260 -0.0842 0.0041 -0.0363 83 GLU A OE1 16 O OE2 . GLU A 2 ? 0.5156 0.5321 0.7082 -0.0895 -0.0130 -0.0021 83 GLU A OE2 17 N N . PHE A 3 ? 0.2255 0.2717 0.1348 -0.0281 -0.0116 -0.0353 84 PHE A N 18 C CA . PHE A 3 ? 0.2062 0.2444 0.1189 -0.0139 -0.0036 -0.0368 84 PHE A CA 19 C C . PHE A 3 ? 0.2008 0.2249 0.0990 -0.0009 0.0058 -0.0459 84 PHE A C 20 O O . PHE A 3 ? 0.2195 0.2566 0.1408 0.0150 0.0141 -0.0635 84 PHE A O 21 C CB . PHE A 3 ? 0.2057 0.2246 0.1312 -0.0324 0.0298 -0.0507 84 PHE A CB 22 C CG . PHE A 3 ? 0.2123 0.2128 0.1393 -0.0161 0.0214 -0.0283 84 PHE A CG 23 C CD1 . PHE A 3 ? 0.1981 0.2258 0.1177 -0.0139 0.0003 -0.0339 84 PHE A CD1 24 C CD2 . PHE A 3 ? 0.2158 0.2201 0.1626 -0.0001 0.0366 -0.0185 84 PHE A CD2 25 C CE1 . PHE A 3 ? 0.2189 0.2255 0.1376 -0.0178 0.0017 -0.0221 84 PHE A CE1 26 C CE2 . PHE A 3 ? 0.2215 0.2252 0.1955 -0.0022 0.0442 -0.0191 84 PHE A CE2 27 C CZ . PHE A 3 ? 0.2368 0.2215 0.1616 -0.0124 0.0210 0.0020 84 PHE A CZ 28 N N . LEU A 4 ? 0.1763 0.1858 0.1340 -0.0061 0.0036 -0.0167 85 LEU A N 29 C CA . LEU A 4 ? 0.1966 0.2134 0.1701 0.0222 -0.0199 -0.0161 85 LEU A CA 30 C C . LEU A 4 ? 0.1969 0.2153 0.1493 -0.0027 0.0268 -0.0215 85 LEU A C 31 O O . LEU A 4 ? 0.1980 0.2061 0.1951 -0.0309 0.0485 -0.0218 85 LEU A O 32 C CB . LEU A 4 ? 0.2474 0.2378 0.1769 0.0462 -0.0438 -0.0277 85 LEU A CB 33 C CG . LEU A 4 ? 0.3132 0.2778 0.2458 0.0298 -0.0612 -0.0315 85 LEU A CG 34 C CD1 . LEU A 4 ? 0.3295 0.2633 0.2873 0.0440 -0.0792 -0.0332 85 LEU A CD1 35 C CD2 . LEU A 4 ? 0.3340 0.3054 0.2353 0.0147 -0.0641 -0.0116 85 LEU A CD2 36 N N . ASN A 5 ? 0.1861 0.2410 0.1283 -0.0025 0.0403 -0.0256 86 ASN A N 37 C CA . ASN A 5 ? 0.2024 0.2773 0.1327 -0.0014 0.0384 -0.0370 86 ASN A CA 38 C C . ASN A 5 ? 0.1969 0.2485 0.1425 -0.0067 0.0310 -0.0071 86 ASN A C 39 O O . ASN A 5 ? 0.1693 0.2324 0.1527 -0.0136 0.0367 0.0134 86 ASN A O 40 C CB . ASN A 5 ? 0.2515 0.3336 0.1327 0.0223 0.0287 -0.0686 86 ASN A CB 41 C CG . ASN A 5 ? 0.2943 0.3864 0.2165 0.0535 0.0428 -0.0425 86 ASN A CG 42 O OD1 . ASN A 5 ? 0.3220 0.4142 0.2329 0.0485 0.0261 -0.0378 86 ASN A OD1 43 N ND2 . ASN A 5 ? 0.3195 0.3983 0.2279 0.0776 0.0508 -0.0610 86 ASN A ND2 44 N N . ASN A 6 ? 0.2049 0.2352 0.1302 -0.0115 0.0346 0.0009 87 ASN A N 45 C CA . ASN A 6 ? 0.2074 0.2289 0.0784 -0.0273 0.0465 -0.0325 87 ASN A CA 46 C C . ASN A 6 ? 0.1969 0.2319 0.1264 -0.0060 0.0412 -0.0457 87 ASN A C 47 O O . ASN A 6 ? 0.1970 0.2638 0.1452 0.0017 0.0432 -0.0666 87 ASN A O 48 C CB . ASN A 6 ? 0.2554 0.2293 0.1295 -0.0111 0.0715 -0.0198 87 ASN A CB 49 C CG . ASN A 6 ? 0.3023 0.2160 0.1731 0.0009 0.0812 -0.0373 87 ASN A CG 50 O OD1 . ASN A 6 ? 0.3010 0.2124 0.1984 -0.0189 0.0527 -0.0202 87 ASN A OD1 51 N ND2 . ASN A 6 ? 0.3544 0.2309 0.2324 0.0231 0.1302 -0.0294 87 ASN A ND2 52 N N . THR A 7 ? 0.1956 0.2232 0.1475 -0.0104 0.0360 -0.0170 88 THR A N 53 C CA . THR A 7 ? 0.2102 0.1965 0.1387 -0.0075 0.0424 -0.0084 88 THR A CA 54 C C . THR A 7 ? 0.2076 0.1805 0.1290 -0.0191 0.0365 -0.0142 88 THR A C 55 O O . THR A 7 ? 0.2010 0.1726 0.1566 -0.0251 0.0308 -0.0086 88 THR A O 56 C CB . THR A 7 ? 0.2430 0.2367 0.1588 0.0078 0.0658 -0.0053 88 THR A CB 57 O OG1 . THR A 7 ? 0.2790 0.3020 0.1706 0.0297 0.0474 -0.0250 88 THR A OG1 58 C CG2 . THR A 7 ? 0.2525 0.2281 0.1982 -0.0011 0.0642 0.0245 88 THR A CG2 59 N N . GLU A 8 ? 0.2128 0.1748 0.1491 0.0079 0.0361 -0.0418 89 GLU A N 60 C CA . GLU A 8 ? 0.2180 0.2022 0.1696 -0.0282 0.0247 -0.0425 89 GLU A CA 61 C C . GLU A 8 ? 0.2070 0.1845 0.1672 -0.0129 0.0454 -0.0351 89 GLU A C 62 O O . GLU A 8 ? 0.1953 0.1806 0.1684 -0.0126 0.0335 -0.0154 89 GLU A O 63 C CB . GLU A 8 ? 0.2509 0.2313 0.1877 -0.0596 0.0020 -0.0576 89 GLU A CB 64 C CG . GLU A 8 ? 0.2699 0.2739 0.2041 -0.0761 -0.0243 -0.0384 89 GLU A CG 65 C CD . GLU A 8 ? 0.2880 0.2912 0.2719 -0.0942 -0.0689 -0.0329 89 GLU A CD 66 O OE1 . GLU A 8 ? 0.2795 0.2898 0.3345 -0.0780 -0.0402 -0.0019 89 GLU A OE1 67 O OE2 . GLU A 8 ? 0.3312 0.3183 0.3449 -0.1010 -0.0644 -0.0033 89 GLU A OE2 68 N N . PRO A 9 ? 0.2145 0.1845 0.1456 -0.0102 0.0437 -0.0235 90 PRO A N 69 C CA . PRO A 9 ? 0.1994 0.1824 0.1209 -0.0091 0.0532 -0.0235 90 PRO A CA 70 C C . PRO A 9 ? 0.1915 0.1899 0.1574 -0.0017 0.0312 -0.0272 90 PRO A C 71 O O . PRO A 9 ? 0.1998 0.2050 0.1761 0.0055 0.0550 -0.0325 90 PRO A O 72 C CB . PRO A 9 ? 0.2218 0.1773 0.1308 0.0045 0.0707 -0.0547 90 PRO A CB 73 C CG . PRO A 9 ? 0.2312 0.1866 0.2000 0.0098 0.0619 -0.0423 90 PRO A CG 74 C CD . PRO A 9 ? 0.2278 0.1940 0.1782 0.0100 0.0557 -0.0039 90 PRO A CD 75 N N . LEU A 10 ? 0.1721 0.1890 0.1127 -0.0003 0.0324 -0.0022 91 LEU A N 76 C CA . LEU A 10 ? 0.1743 0.1866 0.1255 0.0011 0.0314 -0.0273 91 LEU A CA 77 C C . LEU A 10 ? 0.1591 0.1764 0.1458 0.0102 0.0537 -0.0212 91 LEU A C 78 O O . LEU A 10 ? 0.1681 0.2016 0.1905 0.0035 0.0604 -0.0234 91 LEU A O 79 C CB . LEU A 10 ? 0.1536 0.1902 0.1122 -0.0164 0.0126 -0.0296 91 LEU A CB 80 C CG . LEU A 10 ? 0.1355 0.1797 0.1289 -0.0229 0.0315 -0.0021 91 LEU A CG 81 C CD1 . LEU A 10 ? 0.1396 0.1764 0.1608 -0.0140 0.0320 -0.0026 91 LEU A CD1 82 C CD2 . LEU A 10 ? 0.1311 0.1872 0.1810 -0.0185 0.0248 -0.0304 91 LEU A CD2 83 N N . CYS A 11 ? 0.1594 0.1608 0.1658 -0.0064 0.0461 -0.0212 92 CYS A N 84 C CA . CYS A 11 ? 0.1635 0.1693 0.1794 -0.0014 0.0154 -0.0276 92 CYS A CA 85 C C . CYS A 11 ? 0.1696 0.1847 0.2052 0.0028 0.0203 -0.0120 92 CYS A C 86 O O . CYS A 11 ? 0.1747 0.1774 0.2183 0.0196 0.0192 -0.0211 92 CYS A O 87 C CB . CYS A 11 ? 0.2085 0.1749 0.2349 -0.0222 0.0108 -0.0208 92 CYS A CB 88 S SG . CYS A 11 ? 0.2374 0.1922 0.3033 -0.0114 0.0391 -0.0440 92 CYS A SG 89 N N . ASN A 12 ? 0.1503 0.1885 0.1979 0.0026 0.0505 0.0071 93 ASN A N 90 C CA . ASN A 12 ? 0.1891 0.1935 0.2030 -0.0035 0.0781 0.0011 93 ASN A CA 91 C C . ASN A 12 ? 0.2049 0.1597 0.2100 0.0099 0.0747 0.0011 93 ASN A C 92 O O . ASN A 12 ? 0.2528 0.1885 0.2572 0.0013 0.0788 -0.0073 93 ASN A O 93 C CB . ASN A 12 ? 0.1941 0.2032 0.2483 0.0021 0.0816 -0.0019 93 ASN A CB 94 C CG . ASN A 12 ? 0.2195 0.2306 0.2831 -0.0182 0.0867 0.0321 93 ASN A CG 95 O OD1 . ASN A 12 ? 0.2200 0.2395 0.2966 -0.0232 0.0804 0.0508 93 ASN A OD1 96 N ND2 . ASN A 12 ? 0.2441 0.2719 0.2760 -0.0325 0.1518 0.0131 93 ASN A ND2 97 N N . VAL A 13 ? 0.1739 0.1432 0.1816 0.0262 0.0548 0.0107 94 VAL A N 98 C CA . VAL A 13 ? 0.1549 0.1507 0.1876 0.0215 0.0528 0.0200 94 VAL A CA 99 C C . VAL A 13 ? 0.1678 0.1665 0.2040 0.0277 0.0607 0.0136 94 VAL A C 100 O O . VAL A 13 ? 0.1738 0.1736 0.2239 0.0332 0.0499 -0.0037 94 VAL A O 101 C CB . VAL A 13 ? 0.1445 0.1433 0.2159 0.0164 0.0321 -0.0090 94 VAL A CB 102 C CG1 . VAL A 13 ? 0.1448 0.1395 0.1984 -0.0017 0.0125 -0.0120 94 VAL A CG1 103 C CG2 . VAL A 13 ? 0.1462 0.1525 0.2444 -0.0026 0.0387 -0.0288 94 VAL A CG2 104 N N . SER A 14 ? 0.1716 0.1784 0.2152 0.0307 0.0703 0.0318 95 SER A N 105 C CA . SER A 14 ? 0.1818 0.1968 0.1998 0.0341 0.0836 0.0204 95 SER A CA 106 C C . SER A 14 ? 0.1590 0.1884 0.1887 0.0069 0.0671 0.0265 95 SER A C 107 O O . SER A 14 ? 0.1725 0.1805 0.2506 0.0036 0.0576 0.0529 95 SER A O 108 C CB . SER A 14 ? 0.2136 0.2240 0.2202 0.0475 0.1201 -0.0041 95 SER A CB 109 O OG . SER A 14 ? 0.2512 0.2566 0.2936 0.0567 0.1392 0.0211 95 SER A OG 110 N N . GLY A 15 ? 0.1601 0.1719 0.1988 -0.0110 0.0672 0.0322 96 GLY A N 111 C CA . GLY A 15 ? 0.1315 0.1785 0.1985 -0.0072 0.0457 0.0032 96 GLY A CA 112 C C . GLY A 15 ? 0.1304 0.1692 0.1919 -0.0083 0.0457 -0.0121 96 GLY A C 113 O O . GLY A 15 ? 0.1237 0.1844 0.2068 0.0080 0.0450 -0.0115 96 GLY A O 114 N N . PHE A 16 ? 0.1292 0.1665 0.1973 -0.0031 0.0320 -0.0173 97 PHE A N 115 C CA . PHE A 16 ? 0.1304 0.1472 0.1813 -0.0161 0.0488 -0.0050 97 PHE A CA 116 C C . PHE A 16 ? 0.1298 0.1398 0.1543 -0.0089 0.0398 0.0112 97 PHE A C 117 O O . PHE A 16 ? 0.1522 0.1732 0.1993 0.0117 0.0061 0.0119 97 PHE A O 118 C CB . PHE A 16 ? 0.1543 0.1299 0.1940 -0.0191 0.0467 -0.0244 97 PHE A CB 119 C CG . PHE A 16 ? 0.1726 0.1431 0.2265 -0.0353 0.0832 -0.0407 97 PHE A CG 120 C CD1 . PHE A 16 ? 0.2049 0.1484 0.2234 -0.0361 0.0583 -0.0169 97 PHE A CD1 121 C CD2 . PHE A 16 ? 0.1972 0.1465 0.3184 -0.0317 0.0885 -0.0240 97 PHE A CD2 122 C CE1 . PHE A 16 ? 0.2087 0.1376 0.2243 -0.0783 0.0602 -0.0362 97 PHE A CE1 123 C CE2 . PHE A 16 ? 0.2051 0.1494 0.3425 -0.0496 0.0843 -0.0084 97 PHE A CE2 124 C CZ . PHE A 16 ? 0.2017 0.1466 0.2675 -0.0646 0.0771 -0.0220 97 PHE A CZ 125 N N . ALA A 17 ? 0.1036 0.1297 0.1918 -0.0132 0.0572 -0.0041 98 ALA A N 126 C CA . ALA A 17 ? 0.1114 0.1194 0.1541 -0.0199 0.0378 -0.0268 98 ALA A CA 127 C C . ALA A 17 ? 0.0989 0.1268 0.1395 -0.0066 0.0350 -0.0087 98 ALA A C 128 O O . ALA A 17 ? 0.1147 0.1228 0.1518 0.0086 0.0204 0.0022 98 ALA A O 129 C CB . ALA A 17 ? 0.1299 0.1251 0.2080 -0.0440 0.0331 -0.0597 98 ALA A CB 130 N N . ILE A 18 ? 0.1005 0.1248 0.1571 0.0063 0.0299 -0.0270 99 ILE A N 131 C CA . ILE A 18 ? 0.0880 0.1365 0.1060 0.0147 0.0080 -0.0158 99 ILE A CA 132 C C . ILE A 18 ? 0.0943 0.1405 0.0929 0.0017 0.0088 -0.0166 99 ILE A C 133 O O . ILE A 18 ? 0.1014 0.1475 0.1472 0.0057 0.0085 -0.0242 99 ILE A O 134 C CB . ILE A 18 ? 0.1236 0.1093 0.1098 -0.0001 0.0315 0.0002 99 ILE A CB 135 C CG1 . ILE A 18 ? 0.1217 0.1442 0.0889 0.0236 0.0258 -0.0119 99 ILE A CG1 136 C CG2 . ILE A 18 ? 0.1425 0.1001 0.1720 -0.0375 0.0206 0.0241 99 ILE A CG2 137 C CD1 . ILE A 18 ? 0.1400 0.1591 0.1013 0.0341 0.0066 -0.0167 99 ILE A CD1 138 N N . VAL A 19 ? 0.0868 0.1560 0.0954 0.0050 0.0121 0.0041 100 VAL A N 139 C CA . VAL A 19 ? 0.0997 0.1627 0.1106 -0.0055 0.0097 0.0092 100 VAL A CA 140 C C . VAL A 19 ? 0.1047 0.1240 0.1282 -0.0079 -0.0053 -0.0006 100 VAL A C 141 O O . VAL A 19 ? 0.1244 0.1086 0.1379 -0.0184 0.0249 -0.0163 100 VAL A O 142 C CB . VAL A 19 ? 0.1086 0.2176 0.1313 -0.0296 -0.0080 0.0464 100 VAL A CB 143 C CG1 . VAL A 19 ? 0.1370 0.2238 0.1836 -0.0266 -0.0400 0.0413 100 VAL A CG1 144 C CG2 . VAL A 19 ? 0.1312 0.2279 0.1971 -0.0465 0.0156 0.0509 100 VAL A CG2 145 N N . SER A 20 ? 0.1056 0.1291 0.1060 0.0095 0.0182 0.0017 101 SER A N 146 C CA . SER A 20 ? 0.0914 0.1334 0.0906 -0.0050 -0.0137 -0.0087 101 SER A CA 147 C C . SER A 20 ? 0.0995 0.1146 0.0773 -0.0187 0.0161 -0.0248 101 SER A C 148 O O . SER A 20 ? 0.1069 0.1194 0.1227 -0.0176 0.0124 -0.0335 101 SER A O 149 C CB . SER A 20 ? 0.1271 0.1387 0.1497 -0.0070 -0.0198 0.0134 101 SER A CB 150 O OG . SER A 20 ? 0.1371 0.1672 0.1916 -0.0084 -0.0165 -0.0041 101 SER A OG 151 N N . LYS A 21 ? 0.1139 0.1282 0.0795 0.0068 0.0330 0.0005 102 LYS A N 152 C CA . LYS A 21 ? 0.1124 0.1285 0.0784 0.0191 0.0058 -0.0307 102 LYS A CA 153 C C . LYS A 21 ? 0.1150 0.1486 0.1161 0.0276 0.0104 -0.0155 102 LYS A C 154 O O . LYS A 21 ? 0.1293 0.1722 0.1617 0.0154 0.0024 -0.0245 102 LYS A O 155 C CB . LYS A 21 ? 0.1258 0.1426 0.1031 0.0110 -0.0258 -0.0030 102 LYS A CB 156 C CG . LYS A 21 ? 0.1390 0.1479 0.0887 0.0388 -0.0414 -0.0298 102 LYS A CG 157 C CD . LYS A 21 ? 0.1411 0.1530 0.0953 0.0311 -0.0360 -0.0144 102 LYS A CD 158 C CE . LYS A 21 ? 0.1372 0.1555 0.0696 0.0320 0.0143 -0.0145 102 LYS A CE 159 N NZ . LYS A 21 ? 0.1409 0.1673 0.1126 0.0349 0.0095 -0.0201 102 LYS A NZ 160 N N . ASP A 22 ? 0.1134 0.1456 0.0828 0.0083 0.0155 0.0062 103 ASP A N 161 C CA . ASP A 22 ? 0.1177 0.1498 0.1352 0.0249 0.0315 -0.0207 103 ASP A CA 162 C C . ASP A 22 ? 0.1075 0.1322 0.0888 0.0033 0.0096 -0.0188 103 ASP A C 163 O O . ASP A 22 ? 0.1187 0.1456 0.1160 -0.0135 0.0166 -0.0175 103 ASP A O 164 C CB . ASP A 22 ? 0.1602 0.1535 0.2028 0.0253 0.0377 -0.0051 103 ASP A CB 165 C CG . ASP A 22 ? 0.2163 0.2025 0.2753 0.0025 0.0853 -0.0425 103 ASP A CG 166 O OD1 . ASP A 22 ? 0.2546 0.2337 0.3083 -0.0087 0.0457 -0.0125 103 ASP A OD1 167 O OD2 . ASP A 22 ? 0.2834 0.2388 0.3711 -0.0036 0.0931 -0.0584 103 ASP A OD2 168 N N . ASN A 23 ? 0.1229 0.1340 0.0657 0.0218 -0.0044 -0.0159 104 ASN A N 169 C CA . ASN A 23 ? 0.1201 0.1130 0.1063 -0.0119 0.0112 -0.0368 104 ASN A CA 170 C C . ASN A 23 ? 0.1170 0.1107 0.1286 0.0110 0.0010 -0.0205 104 ASN A C 171 O O . ASN A 23 ? 0.1026 0.1081 0.1305 0.0058 0.0046 0.0027 104 ASN A O 172 C CB . ASN A 23 ? 0.1276 0.1186 0.1412 0.0021 0.0284 -0.0445 104 ASN A CB 173 C CG . ASN A 23 ? 0.1347 0.1253 0.1307 0.0048 -0.0345 -0.0171 104 ASN A CG 174 O OD1 . ASN A 23 ? 0.1394 0.1629 0.1644 0.0070 -0.0236 -0.0264 104 ASN A OD1 175 N ND2 . ASN A 23 ? 0.1648 0.1592 0.1810 0.0151 -0.0340 -0.0232 104 ASN A ND2 176 N N . GLY A 24 ? 0.1016 0.1118 0.0816 0.0327 -0.0163 -0.0288 105 GLY A N 177 C CA . GLY A 24 ? 0.1123 0.1118 0.0768 0.0149 -0.0164 -0.0445 105 GLY A CA 178 C C . GLY A 24 ? 0.1197 0.1130 0.1007 0.0154 -0.0113 -0.0239 105 GLY A C 179 O O . GLY A 24 ? 0.1346 0.1164 0.1213 0.0162 -0.0190 -0.0256 105 GLY A O 180 N N . ILE A 25 ? 0.1416 0.1079 0.0887 0.0022 -0.0065 -0.0050 106 ILE A N 181 C CA . ILE A 25 ? 0.1426 0.1335 0.0973 -0.0122 -0.0045 -0.0218 106 ILE A CA 182 C C . ILE A 25 ? 0.1342 0.1348 0.0862 -0.0083 0.0104 -0.0262 106 ILE A C 183 O O . ILE A 25 ? 0.1149 0.1495 0.0891 -0.0036 -0.0066 -0.0314 106 ILE A O 184 C CB . ILE A 25 ? 0.1320 0.1190 0.0813 -0.0292 -0.0197 -0.0108 106 ILE A CB 185 C CG1 . ILE A 25 ? 0.1348 0.1165 0.1394 -0.0446 -0.0096 0.0060 106 ILE A CG1 186 C CG2 . ILE A 25 ? 0.1189 0.1321 0.0931 -0.0283 -0.0018 -0.0337 106 ILE A CG2 187 C CD1 . ILE A 25 ? 0.1195 0.1034 0.1176 -0.0506 0.0016 0.0093 106 ILE A CD1 188 N N . ARG A 26 ? 0.1307 0.1304 0.0921 -0.0003 -0.0088 -0.0093 107 ARG A N 189 C CA . ARG A 26 ? 0.1035 0.1086 0.1152 0.0165 -0.0056 -0.0072 107 ARG A CA 190 C C . ARG A 26 ? 0.1007 0.1277 0.0841 0.0030 -0.0200 -0.0167 107 ARG A C 191 O O . ARG A 26 ? 0.1050 0.1373 0.1140 0.0109 0.0185 0.0029 107 ARG A O 192 C CB . ARG A 26 ? 0.0941 0.1039 0.1143 0.0338 -0.0225 -0.0170 107 ARG A CB 193 C CG . ARG A 26 ? 0.0825 0.1096 0.1244 0.0342 -0.0396 -0.0363 107 ARG A CG 194 C CD . ARG A 26 ? 0.1196 0.1057 0.1528 0.0286 -0.0380 -0.0553 107 ARG A CD 195 N NE . ARG A 26 ? 0.1341 0.0963 0.1554 0.0354 -0.0228 -0.0231 107 ARG A NE 196 C CZ . ARG A 26 ? 0.1501 0.1004 0.1734 0.0169 -0.0348 -0.0172 107 ARG A CZ 197 N NH1 . ARG A 26 ? 0.1506 0.1118 0.1545 0.0141 -0.0094 -0.0241 107 ARG A NH1 198 N NH2 . ARG A 26 ? 0.1854 0.1228 0.1698 0.0120 -0.0015 -0.0331 107 ARG A NH2 199 N N . ILE A 27 ? 0.0894 0.1290 0.0853 -0.0037 -0.0338 -0.0082 108 ILE A N 200 C CA . ILE A 27 ? 0.0958 0.1413 0.0573 0.0100 0.0012 -0.0199 108 ILE A CA 201 C C . ILE A 27 ? 0.1027 0.1350 0.0781 -0.0003 0.0099 -0.0272 108 ILE A C 202 O O . ILE A 27 ? 0.0978 0.1513 0.0970 -0.0287 0.0183 -0.0223 108 ILE A O 203 C CB . ILE A 27 ? 0.0994 0.1504 0.0773 -0.0109 0.0042 -0.0494 108 ILE A CB 204 C CG1 . ILE A 27 ? 0.1417 0.1562 0.0558 -0.0420 0.0225 -0.0261 108 ILE A CG1 205 C CG2 . ILE A 27 ? 0.0913 0.1396 0.1047 -0.0044 -0.0097 -0.0339 108 ILE A CG2 206 C CD1 . ILE A 27 ? 0.1669 0.1526 0.0594 -0.0527 0.0242 0.0003 108 ILE A CD1 207 N N . GLY A 28 ? 0.1322 0.1085 0.1032 0.0249 -0.0087 -0.0405 109 GLY A N 208 C CA . GLY A 28 ? 0.1390 0.1370 0.0993 0.0073 -0.0277 -0.0255 109 GLY A CA 209 C C . GLY A 28 ? 0.1347 0.1289 0.0983 -0.0109 -0.0085 -0.0090 109 GLY A C 210 O O . GLY A 28 ? 0.1376 0.1630 0.0985 -0.0054 -0.0184 0.0037 109 GLY A O 211 N N . SER A 29 ? 0.1399 0.1356 0.0702 -0.0094 -0.0284 0.0152 110 SER A N 212 C CA . SER A 29 ? 0.1315 0.1356 0.1250 -0.0034 -0.0388 0.0013 110 SER A CA 213 C C . SER A 29 ? 0.1276 0.1248 0.0866 -0.0019 0.0030 -0.0184 110 SER A C 214 O O . SER A 29 ? 0.1315 0.1397 0.1450 0.0032 0.0076 -0.0283 110 SER A O 215 C CB . SER A 29 ? 0.1335 0.1285 0.1028 0.0089 -0.0293 0.0392 110 SER A CB 216 O OG . SER A 29 ? 0.1369 0.1747 0.1038 0.0070 -0.0289 -0.0026 110 SER A OG 217 N N . ARG A 30 ? 0.1388 0.1226 0.1171 0.0048 -0.0008 -0.0248 111 ARG A N 218 C CA . ARG A 30 ? 0.1417 0.1147 0.1156 0.0073 0.0020 0.0077 111 ARG A CA 219 C C . ARG A 30 ? 0.1241 0.1092 0.1038 0.0139 -0.0031 0.0057 111 ARG A C 220 O O . ARG A 30 ? 0.1182 0.1209 0.1180 0.0056 -0.0066 0.0174 111 ARG A O 221 C CB . ARG A 30 ? 0.1296 0.1159 0.1635 -0.0273 -0.0164 0.0155 111 ARG A CB 222 C CG . ARG A 30 ? 0.1295 0.0965 0.1889 -0.0368 -0.0183 0.0261 111 ARG A CG 223 C CD . ARG A 30 ? 0.1283 0.1065 0.1788 -0.0364 -0.0178 0.0332 111 ARG A CD 224 N NE . ARG A 30 ? 0.1322 0.1334 0.1625 -0.0226 -0.0042 0.0155 111 ARG A NE 225 C CZ . ARG A 30 ? 0.1471 0.1453 0.1735 -0.0240 -0.0096 -0.0214 111 ARG A CZ 226 N NH1 . ARG A 30 ? 0.1621 0.1590 0.1862 0.0015 0.0078 -0.0429 111 ARG A NH1 227 N NH2 . ARG A 30 ? 0.1530 0.1484 0.1834 -0.0204 -0.0045 -0.0100 111 ARG A NH2 228 N N . GLY A 31 ? 0.1287 0.0934 0.1072 0.0044 -0.0211 0.0277 112 GLY A N 229 C CA . GLY A 31 ? 0.1291 0.0949 0.1286 0.0167 -0.0420 0.0270 112 GLY A CA 230 C C . GLY A 31 ? 0.1229 0.0942 0.1112 -0.0039 -0.0418 0.0153 112 GLY A C 231 O O . GLY A 31 ? 0.1546 0.0864 0.1207 -0.0113 -0.0521 0.0073 112 GLY A O 232 N N . HIS A 32 ? 0.1236 0.0927 0.1081 -0.0090 -0.0302 -0.0026 113 HIS A N 233 C CA . HIS A 32 ? 0.1099 0.1120 0.0782 -0.0207 -0.0072 0.0159 113 HIS A CA 234 C C . HIS A 32 ? 0.0968 0.0997 0.0674 -0.0174 -0.0138 0.0070 113 HIS A C 235 O O . HIS A 32 ? 0.1145 0.1311 0.0829 -0.0087 0.0062 0.0041 113 HIS A O 236 C CB . HIS A 32 ? 0.1185 0.1104 0.0753 -0.0119 0.0177 0.0135 113 HIS A CB 237 C CG . HIS A 32 ? 0.1041 0.0884 0.0757 -0.0226 0.0129 0.0100 113 HIS A CG 238 N ND1 . HIS A 32 ? 0.1322 0.1111 0.1220 -0.0307 0.0228 -0.0007 113 HIS A ND1 239 C CD2 . HIS A 32 ? 0.1204 0.1023 0.0994 -0.0099 0.0118 0.0146 113 HIS A CD2 240 C CE1 . HIS A 32 ? 0.1340 0.1133 0.1077 -0.0088 0.0054 0.0075 113 HIS A CE1 241 N NE2 . HIS A 32 ? 0.0929 0.1110 0.1351 -0.0168 0.0314 0.0059 113 HIS A NE2 242 N N . VAL A 33 ? 0.0798 0.1020 0.1193 -0.0239 0.0129 -0.0006 114 VAL A N 243 C CA . VAL A 33 ? 0.0968 0.0883 0.1011 -0.0034 0.0181 0.0069 114 VAL A CA 244 C C . VAL A 33 ? 0.1158 0.1015 0.0853 -0.0242 0.0117 -0.0068 114 VAL A C 245 O O . VAL A 33 ? 0.1585 0.0979 0.0765 -0.0191 0.0114 -0.0025 114 VAL A O 246 C CB . VAL A 33 ? 0.0964 0.0650 0.1039 -0.0050 0.0071 0.0118 114 VAL A CB 247 C CG1 . VAL A 33 ? 0.1080 0.0894 0.0866 -0.0192 0.0415 0.0028 114 VAL A CG1 248 C CG2 . VAL A 33 ? 0.1151 0.0730 0.1414 -0.0091 -0.0134 -0.0164 114 VAL A CG2 249 N N . PHE A 34 ? 0.1059 0.0731 0.1004 -0.0044 0.0165 0.0009 115 PHE A N 250 C CA . PHE A 34 ? 0.1152 0.0980 0.1137 0.0086 -0.0008 0.0193 115 PHE A CA 251 C C . PHE A 34 ? 0.1195 0.1080 0.0880 0.0031 -0.0137 0.0047 115 PHE A C 252 O O . PHE A 34 ? 0.1231 0.0977 0.1294 0.0169 0.0032 -0.0005 115 PHE A O 253 C CB . PHE A 34 ? 0.1129 0.1082 0.0983 0.0144 0.0142 0.0397 115 PHE A CB 254 C CG . PHE A 34 ? 0.0814 0.1060 0.1178 0.0186 0.0002 -0.0047 115 PHE A CG 255 C CD1 . PHE A 34 ? 0.1000 0.1367 0.1420 0.0150 0.0231 -0.0251 115 PHE A CD1 256 C CD2 . PHE A 34 ? 0.1002 0.1128 0.1060 -0.0006 -0.0102 -0.0053 115 PHE A CD2 257 C CE1 . PHE A 34 ? 0.1112 0.1426 0.1391 0.0034 -0.0097 -0.0322 115 PHE A CE1 258 C CE2 . PHE A 34 ? 0.1024 0.1147 0.1291 -0.0048 0.0244 0.0175 115 PHE A CE2 259 C CZ . PHE A 34 ? 0.1204 0.1319 0.1187 -0.0114 0.0266 -0.0264 115 PHE A CZ 260 N N . VAL A 35 ? 0.1222 0.1237 0.0689 -0.0223 -0.0086 -0.0111 116 VAL A N 261 C CA . VAL A 35 ? 0.1482 0.1457 0.0694 -0.0255 -0.0118 -0.0193 116 VAL A CA 262 C C . VAL A 35 ? 0.1211 0.1234 0.0938 -0.0152 0.0150 -0.0186 116 VAL A C 263 O O . VAL A 35 ? 0.1192 0.1671 0.1543 -0.0178 -0.0049 0.0091 116 VAL A O 264 C CB . VAL A 35 ? 0.2201 0.1707 0.0813 -0.0515 0.0007 -0.0119 116 VAL A CB 265 C CG1 . VAL A 35 ? 0.2401 0.1974 0.1748 -0.0412 -0.0292 -0.0449 116 VAL A CG1 266 C CG2 . VAL A 35 ? 0.2752 0.1774 0.0729 -0.0497 0.0186 0.0019 116 VAL A CG2 267 N N . ILE A 36 ? 0.1124 0.1204 0.0722 -0.0183 0.0382 0.0062 117 ILE A N 268 C CA . ILE A 36 ? 0.0990 0.1302 0.0645 -0.0103 0.0075 0.0005 117 ILE A CA 269 C C . ILE A 36 ? 0.1030 0.1538 0.0901 -0.0043 0.0210 0.0222 117 ILE A C 270 O O . ILE A 36 ? 0.1183 0.1762 0.1122 -0.0233 -0.0160 0.0389 117 ILE A O 271 C CB . ILE A 36 ? 0.0859 0.1328 0.1025 0.0107 0.0059 -0.0362 117 ILE A CB 272 C CG1 . ILE A 36 ? 0.1220 0.1334 0.1116 0.0374 0.0434 -0.0356 117 ILE A CG1 273 C CG2 . ILE A 36 ? 0.0688 0.1330 0.1179 -0.0075 -0.0236 -0.0322 117 ILE A CG2 274 C CD1 . ILE A 36 ? 0.1512 0.1544 0.1623 0.0670 0.0294 -0.0127 117 ILE A CD1 275 N N . ARG A 37 ? 0.1120 0.1291 0.1155 -0.0002 0.0243 -0.0036 118 ARG A N 276 C CA . ARG A 37 ? 0.1125 0.1541 0.1099 -0.0068 -0.0048 -0.0256 118 ARG A CA 277 C C . ARG A 37 ? 0.1070 0.1569 0.1188 -0.0104 -0.0162 0.0010 118 ARG A C 278 O O . ARG A 37 ? 0.0876 0.1749 0.1157 -0.0093 -0.0091 0.0118 118 ARG A O 279 C CB . ARG A 37 ? 0.1381 0.1703 0.1264 -0.0196 -0.0096 -0.0576 118 ARG A CB 280 C CG . ARG A 37 ? 0.1601 0.2049 0.1217 -0.0026 -0.0128 -0.0468 118 ARG A CG 281 C CD . ARG A 37 ? 0.1554 0.1982 0.1339 0.0303 -0.0079 -0.0388 118 ARG A CD 282 N NE . ARG A 37 ? 0.1624 0.1883 0.1979 0.0179 0.0023 -0.0222 118 ARG A NE 283 C CZ . ARG A 37 ? 0.1671 0.1688 0.1816 0.0203 -0.0101 -0.0599 118 ARG A CZ 284 N NH1 . ARG A 37 ? 0.1881 0.1763 0.2543 -0.0034 -0.0471 -0.0913 118 ARG A NH1 285 N NH2 . ARG A 37 ? 0.1656 0.1369 0.2586 0.0154 -0.0190 -0.0203 118 ARG A NH2 286 N N . GLU A 38 ? 0.1103 0.1636 0.1254 -0.0097 0.0172 0.0000 119 GLU A N 287 C CA . GLU A 38 ? 0.1274 0.1523 0.1321 -0.0021 0.0110 0.0210 119 GLU A CA 288 C C . GLU A 38 ? 0.1116 0.1571 0.1072 0.0088 -0.0098 0.0247 119 GLU A C 289 O O . GLU A 38 ? 0.1258 0.1869 0.1069 -0.0066 -0.0046 0.0124 119 GLU A O 290 C CB . GLU A 38 ? 0.1381 0.1538 0.2091 -0.0024 0.0166 0.0365 119 GLU A CB 291 C CG . GLU A 38 ? 0.1761 0.1569 0.2157 -0.0086 0.0322 0.0249 119 GLU A CG 292 C CD . GLU A 38 ? 0.1818 0.1749 0.2064 -0.0021 0.0231 0.0151 119 GLU A CD 293 O OE1 . GLU A 38 ? 0.1647 0.1861 0.1886 0.0086 0.0210 -0.0034 119 GLU A OE1 294 O OE2 . GLU A 38 ? 0.1781 0.1702 0.2310 -0.0058 0.0070 0.0079 119 GLU A OE2 295 N N . PRO A 39 ? 0.1170 0.1527 0.1416 0.0023 -0.0042 0.0173 120 PRO A N 296 C CA . PRO A 39 ? 0.1237 0.1365 0.1416 0.0049 -0.0134 0.0175 120 PRO A CA 297 C C . PRO A 39 ? 0.1043 0.1266 0.1842 0.0147 0.0131 0.0044 120 PRO A C 298 O O . PRO A 39 ? 0.1225 0.1146 0.1972 0.0125 -0.0037 0.0309 120 PRO A O 299 C CB . PRO A 39 ? 0.1356 0.1398 0.1438 -0.0036 -0.0410 0.0227 120 PRO A CB 300 C CG . PRO A 39 ? 0.1336 0.1326 0.1312 0.0271 -0.0234 -0.0350 120 PRO A CG 301 C CD . PRO A 39 ? 0.1380 0.1385 0.1748 0.0151 -0.0343 0.0070 120 PRO A CD 302 N N . PHE A 40 ? 0.1001 0.1334 0.1176 -0.0143 0.0246 0.0154 121 PHE A N 303 C CA . PHE A 40 ? 0.1038 0.1196 0.0842 0.0050 0.0064 -0.0006 121 PHE A CA 304 C C . PHE A 40 ? 0.1164 0.1330 0.1181 -0.0205 0.0066 -0.0045 121 PHE A C 305 O O . PHE A 40 ? 0.1255 0.1694 0.1796 -0.0367 0.0286 -0.0390 121 PHE A O 306 C CB . PHE A 40 ? 0.0817 0.1265 0.1441 0.0176 0.0041 0.0377 121 PHE A CB 307 C CG . PHE A 40 ? 0.0801 0.1290 0.1410 0.0147 0.0157 0.0140 121 PHE A CG 308 C CD1 . PHE A 40 ? 0.0617 0.1310 0.2005 0.0031 -0.0340 0.0390 121 PHE A CD1 309 C CD2 . PHE A 40 ? 0.0754 0.1098 0.2012 0.0473 0.0086 0.0232 121 PHE A CD2 310 C CE1 . PHE A 40 ? 0.0672 0.1356 0.2172 0.0050 -0.0048 0.0004 121 PHE A CE1 311 C CE2 . PHE A 40 ? 0.0967 0.1273 0.2376 0.0186 -0.0215 0.0202 121 PHE A CE2 312 C CZ . PHE A 40 ? 0.0865 0.1132 0.2030 0.0198 -0.0375 0.0130 121 PHE A CZ 313 N N . VAL A 41 ? 0.1130 0.1294 0.1213 -0.0284 0.0180 -0.0206 122 VAL A N 314 C CA . VAL A 41 ? 0.1255 0.1245 0.1019 -0.0253 0.0166 -0.0168 122 VAL A CA 315 C C . VAL A 41 ? 0.1246 0.1134 0.0962 -0.0060 0.0146 0.0060 122 VAL A C 316 O O . VAL A 41 ? 0.1188 0.1072 0.1264 -0.0198 0.0222 0.0128 122 VAL A O 317 C CB . VAL A 41 ? 0.1308 0.1272 0.1132 -0.0076 0.0138 -0.0147 122 VAL A CB 318 C CG1 . VAL A 41 ? 0.1449 0.1225 0.1520 0.0053 0.0099 -0.0506 122 VAL A CG1 319 C CG2 . VAL A 41 ? 0.1474 0.1401 0.1143 0.0110 0.0038 0.0205 122 VAL A CG2 320 N N . ALA A 42 ? 0.1360 0.1089 0.0832 0.0155 -0.0049 0.0035 123 ALA A N 321 C CA . ALA A 42 ? 0.1495 0.1103 0.1151 0.0022 0.0000 0.0039 123 ALA A CA 322 C C . ALA A 42 ? 0.1645 0.1349 0.1217 -0.0101 -0.0008 -0.0252 123 ALA A C 323 O O . ALA A 42 ? 0.1638 0.1641 0.1223 -0.0347 -0.0232 -0.0246 123 ALA A O 324 C CB . ALA A 42 ? 0.1619 0.0998 0.1830 0.0201 -0.0211 0.0177 123 ALA A CB 325 N N . CYS A 43 ? 0.1894 0.1556 0.1131 -0.0285 -0.0067 -0.0289 124 CYS A N 326 C CA . CYS A 43 ? 0.2248 0.1748 0.1499 0.0074 -0.0097 -0.0295 124 CYS A CA 327 C C . CYS A 43 ? 0.2904 0.1889 0.1529 -0.0020 -0.0165 -0.0410 124 CYS A C 328 O O . CYS A 43 ? 0.3163 0.1887 0.1826 -0.0172 -0.0127 -0.0336 124 CYS A O 329 C CB . CYS A 43 ? 0.2168 0.1842 0.2185 0.0093 0.0082 -0.0119 124 CYS A CB 330 S SG . CYS A 43 ? 0.1984 0.1931 0.2909 -0.0080 -0.0134 0.0043 124 CYS A SG 331 N N . GLY A 44 ? 0.3289 0.2171 0.1628 -0.0126 -0.0611 -0.0661 125 GLY A N 332 C CA . GLY A 44 ? 0.3951 0.2189 0.1952 -0.0227 -0.0885 -0.0687 125 GLY A CA 333 C C . GLY A 44 ? 0.4650 0.2385 0.2361 -0.0293 -0.1009 -0.0380 125 GLY A C 334 O O . GLY A 44 ? 0.4597 0.2373 0.2362 -0.0412 -0.0379 -0.0532 125 GLY A O 335 N N . PRO A 45 ? 0.5472 0.2598 0.2583 -0.0268 -0.1277 -0.0511 126 PRO A N 336 C CA . PRO A 45 ? 0.5746 0.2764 0.3045 -0.0328 -0.0943 -0.0248 126 PRO A CA 337 C C . PRO A 45 ? 0.5735 0.2870 0.3433 -0.0314 -0.0230 -0.0182 126 PRO A C 338 O O . PRO A 45 ? 0.6008 0.2944 0.4030 -0.0361 0.0684 -0.0105 126 PRO A O 339 C CB . PRO A 45 ? 0.5852 0.2907 0.2806 -0.0352 -0.1273 -0.0362 126 PRO A CB 340 C CG . PRO A 45 ? 0.5943 0.2965 0.2837 -0.0217 -0.1461 -0.0431 126 PRO A CG 341 C CD . PRO A 45 ? 0.5786 0.2830 0.2635 -0.0243 -0.1504 -0.0419 126 PRO A CD 342 N N . THR A 46 ? 0.5354 0.2883 0.2729 -0.0375 -0.0603 -0.0377 127 THR A N 343 C CA . THR A 46 ? 0.4966 0.3034 0.2829 -0.0419 -0.0888 -0.0223 127 THR A CA 344 C C . THR A 46 ? 0.4261 0.2639 0.2053 -0.0074 -0.0883 -0.0510 127 THR A C 345 O O . THR A 46 ? 0.4136 0.2538 0.2106 0.0114 -0.0864 -0.0456 127 THR A O 346 C CB . THR A 46 ? 0.5175 0.3534 0.3924 -0.0687 -0.1072 -0.0038 127 THR A CB 347 O OG1 . THR A 46 ? 0.5294 0.3734 0.4800 -0.0724 -0.1418 0.0304 127 THR A OG1 348 C CG2 . THR A 46 ? 0.5288 0.3723 0.4291 -0.0818 -0.1028 0.0078 127 THR A CG2 349 N N . GLU A 47 ? 0.3623 0.2383 0.1377 -0.0013 -0.0889 -0.0759 128 GLU A N 350 C CA . GLU A 47 ? 0.2919 0.2594 0.1856 -0.0062 -0.0313 -0.0751 128 GLU A CA 351 C C . GLU A 47 ? 0.2429 0.2196 0.1405 -0.0157 -0.0114 -0.0647 128 GLU A C 352 O O . GLU A 47 ? 0.2687 0.2476 0.2107 -0.0098 -0.0103 -0.0411 128 GLU A O 353 C CB . GLU A 47 ? 0.2916 0.3147 0.2910 -0.0020 -0.0273 -0.0783 128 GLU A CB 354 C CG . GLU A 47 ? 0.2784 0.3438 0.2803 0.0038 0.0008 -0.0538 128 GLU A CG 355 C CD . GLU A 47 ? 0.2830 0.3617 0.2907 -0.0150 0.0105 -0.0559 128 GLU A CD 356 O OE1 . GLU A 47 ? 0.2384 0.3341 0.2246 -0.0496 0.0446 -0.0757 128 GLU A OE1 357 O OE2 . GLU A 47 ? 0.3192 0.3945 0.3379 -0.0210 0.0126 -0.0776 128 GLU A OE2 358 N N . CYS A 48 ? 0.1874 0.1810 0.0969 -0.0093 0.0003 -0.0382 129 CYS A N 359 C CA . CYS A 48 ? 0.1563 0.1456 0.1388 0.0168 0.0086 -0.0536 129 CYS A CA 360 C C . CYS A 48 ? 0.1412 0.1177 0.1294 -0.0038 0.0075 -0.0326 129 CYS A C 361 O O . CYS A 48 ? 0.1581 0.1154 0.1155 -0.0128 -0.0095 0.0130 129 CYS A O 362 C CB . CYS A 48 ? 0.1688 0.1840 0.1943 0.0153 0.0485 -0.0468 129 CYS A CB 363 S SG . CYS A 48 ? 0.2066 0.2090 0.2734 0.0168 0.0340 -0.0415 129 CYS A SG 364 N N . ARG A 49 ? 0.1195 0.1121 0.1251 0.0039 -0.0065 -0.0358 130 ARG A N 365 C CA . ARG A 49 ? 0.0907 0.1116 0.1376 0.0146 -0.0217 -0.0001 130 ARG A CA 366 C C . ARG A 49 ? 0.0934 0.1160 0.1047 -0.0059 0.0099 0.0024 130 ARG A C 367 O O . ARG A 49 ? 0.1155 0.1471 0.1299 -0.0125 0.0304 -0.0078 130 ARG A O 368 C CB . ARG A 49 ? 0.0802 0.1071 0.1470 0.0137 -0.0359 0.0045 130 ARG A CB 369 C CG . ARG A 49 ? 0.0640 0.1033 0.1461 0.0220 -0.0439 -0.0312 130 ARG A CG 370 C CD . ARG A 49 ? 0.0967 0.1388 0.1094 0.0366 0.0109 -0.0068 130 ARG A CD 371 N NE . ARG A 49 ? 0.1145 0.1674 0.1209 0.0130 0.0089 -0.0261 130 ARG A NE 372 C CZ . ARG A 49 ? 0.1193 0.1510 0.1324 0.0218 -0.0146 -0.0286 130 ARG A CZ 373 N NH1 . ARG A 49 ? 0.1080 0.1421 0.1511 0.0171 -0.0319 -0.0194 130 ARG A NH1 374 N NH2 . ARG A 49 ? 0.1211 0.1515 0.1290 0.0384 -0.0170 -0.0286 130 ARG A NH2 375 N N . THR A 50 ? 0.1130 0.1191 0.0895 0.0119 -0.0021 -0.0115 131 THR A N 376 C CA . THR A 50 ? 0.1164 0.1067 0.1136 0.0049 -0.0124 0.0046 131 THR A CA 377 C C . THR A 50 ? 0.1000 0.1133 0.1321 0.0003 0.0382 -0.0168 131 THR A C 378 O O . THR A 50 ? 0.0930 0.1310 0.1997 0.0175 0.0153 -0.0020 131 THR A O 379 C CB . THR A 50 ? 0.1436 0.1219 0.1505 0.0274 -0.0358 -0.0228 131 THR A CB 380 O OG1 . THR A 50 ? 0.1469 0.1361 0.2066 0.0458 -0.0295 -0.0036 131 THR A OG1 381 C CG2 . THR A 50 ? 0.1721 0.1280 0.1861 0.0327 -0.0602 -0.0548 131 THR A CG2 382 N N . PHE A 51 ? 0.1214 0.0991 0.1251 -0.0072 0.0186 -0.0194 132 PHE A N 383 C CA . PHE A 51 ? 0.1243 0.1032 0.1056 -0.0147 -0.0007 -0.0023 132 PHE A CA 384 C C . PHE A 51 ? 0.1003 0.1186 0.0863 -0.0180 -0.0024 -0.0216 132 PHE A C 385 O O . PHE A 51 ? 0.1141 0.1528 0.1289 0.0352 -0.0128 0.0036 132 PHE A O 386 C CB . PHE A 51 ? 0.1156 0.1057 0.0956 -0.0269 0.0151 0.0155 132 PHE A CB 387 C CG . PHE A 51 ? 0.1381 0.1176 0.0845 -0.0168 0.0248 0.0082 132 PHE A CG 388 C CD1 . PHE A 51 ? 0.1565 0.1289 0.0911 -0.0346 0.0143 -0.0359 132 PHE A CD1 389 C CD2 . PHE A 51 ? 0.1274 0.1182 0.1335 -0.0301 0.0147 0.0296 132 PHE A CD2 390 C CE1 . PHE A 51 ? 0.1555 0.1378 0.1226 -0.0374 0.0216 0.0130 132 PHE A CE1 391 C CE2 . PHE A 51 ? 0.1360 0.1291 0.1358 -0.0287 0.0377 0.0012 132 PHE A CE2 392 C CZ . PHE A 51 ? 0.1334 0.1270 0.1182 -0.0387 0.0247 0.0107 132 PHE A CZ 393 N N . PHE A 52 ? 0.1148 0.1220 0.0829 -0.0157 0.0073 -0.0290 133 PHE A N 394 C CA . PHE A 52 ? 0.1279 0.0947 0.0869 -0.0119 0.0174 -0.0044 133 PHE A CA 395 C C . PHE A 52 ? 0.0934 0.1064 0.1095 0.0088 -0.0005 -0.0111 133 PHE A C 396 O O . PHE A 52 ? 0.0944 0.1323 0.0987 -0.0131 -0.0058 -0.0097 133 PHE A O 397 C CB . PHE A 52 ? 0.1206 0.0968 0.1320 -0.0290 -0.0032 0.0438 133 PHE A CB 398 C CG . PHE A 52 ? 0.1176 0.1077 0.1263 -0.0209 -0.0157 0.0301 133 PHE A CG 399 C CD1 . PHE A 52 ? 0.1248 0.1084 0.1661 -0.0112 -0.0335 0.0187 133 PHE A CD1 400 C CD2 . PHE A 52 ? 0.1217 0.1401 0.1490 -0.0105 -0.0135 0.0368 133 PHE A CD2 401 C CE1 . PHE A 52 ? 0.1241 0.1241 0.1561 -0.0018 -0.0239 0.0336 133 PHE A CE1 402 C CE2 . PHE A 52 ? 0.1225 0.1483 0.1402 -0.0141 -0.0331 0.0403 133 PHE A CE2 403 C CZ . PHE A 52 ? 0.1095 0.1399 0.1724 -0.0106 -0.0402 0.0395 133 PHE A CZ 404 N N . LEU A 53 ? 0.0994 0.1043 0.1057 0.0040 -0.0101 -0.0277 134 LEU A N 405 C CA . LEU A 53 ? 0.1043 0.0928 0.1312 -0.0115 0.0171 -0.0092 134 LEU A CA 406 C C . LEU A 53 ? 0.1286 0.1202 0.1261 0.0097 0.0195 0.0204 134 LEU A C 407 O O . LEU A 53 ? 0.1260 0.1347 0.1109 0.0216 0.0104 0.0172 134 LEU A O 408 C CB . LEU A 53 ? 0.1089 0.1090 0.1429 -0.0294 -0.0151 -0.0199 134 LEU A CB 409 C CG . LEU A 53 ? 0.0976 0.1066 0.1539 -0.0337 0.0110 0.0042 134 LEU A CG 410 C CD1 . LEU A 53 ? 0.0993 0.1300 0.2085 -0.0401 -0.0139 -0.0171 134 LEU A CD1 411 C CD2 . LEU A 53 ? 0.1185 0.1086 0.1749 -0.0161 -0.0169 0.0031 134 LEU A CD2 412 N N . THR A 54 ? 0.1277 0.1292 0.1096 0.0022 0.0129 0.0221 135 THR A N 413 C CA . THR A 54 ? 0.1423 0.1479 0.1310 0.0018 0.0066 0.0240 135 THR A CA 414 C C . THR A 54 ? 0.1836 0.1559 0.1384 0.0139 -0.0022 0.0074 135 THR A C 415 O O . THR A 54 ? 0.2129 0.1645 0.1733 -0.0028 0.0491 -0.0005 135 THR A O 416 C CB . THR A 54 ? 0.1499 0.1747 0.1380 -0.0196 0.0110 -0.0169 135 THR A CB 417 O OG1 . THR A 54 ? 0.1662 0.1771 0.1582 -0.0097 0.0370 -0.0120 135 THR A OG1 418 C CG2 . THR A 54 ? 0.1397 0.2143 0.1949 -0.0130 -0.0253 0.0103 135 THR A CG2 419 N N . GLN A 55 ? 0.1802 0.1488 0.1483 0.0215 0.0187 0.0119 136 GLN A N 420 C CA . GLN A 55 ? 0.2138 0.1548 0.1553 0.0021 0.0174 -0.0343 136 GLN A CA 421 C C . GLN A 55 ? 0.2047 0.1462 0.1611 0.0122 0.0016 -0.0297 136 GLN A C 422 O O . GLN A 55 ? 0.1900 0.1517 0.2032 0.0172 0.0653 -0.0434 136 GLN A O 423 C CB . GLN A 55 ? 0.2436 0.1684 0.1771 -0.0212 -0.0053 -0.0492 136 GLN A CB 424 C CG . GLN A 55 ? 0.2388 0.1735 0.2167 -0.0465 -0.0158 -0.0131 136 GLN A CG 425 C CD . GLN A 55 ? 0.2312 0.1950 0.2736 -0.0539 -0.0369 -0.0223 136 GLN A CD 426 O OE1 . GLN A 55 ? 0.2645 0.2217 0.3059 -0.0419 -0.0142 -0.0029 136 GLN A OE1 427 N NE2 . GLN A 55 ? 0.2080 0.1904 0.2742 -0.0353 -0.0389 -0.0374 136 GLN A NE2 428 N N . GLY A 56 ? 0.1812 0.1733 0.1281 -0.0016 -0.0098 -0.0112 137 GLY A N 429 C CA . GLY A 56 ? 0.1788 0.2213 0.1256 0.0019 0.0046 -0.0252 137 GLY A CA 430 C C . GLY A 56 ? 0.1663 0.2525 0.1809 -0.0030 0.0207 -0.0085 137 GLY A C 431 O O . GLY A 56 ? 0.1853 0.3507 0.2218 0.0090 0.0097 0.0198 137 GLY A O 432 N N . ALA A 57 ? 0.1509 0.1719 0.1585 -0.0010 0.0580 -0.0135 138 ALA A N 433 C CA . ALA A 57 ? 0.1566 0.1264 0.1525 -0.0156 0.0527 -0.0312 138 ALA A CA 434 C C . ALA A 57 ? 0.1233 0.1116 0.1073 -0.0092 0.0372 -0.0311 138 ALA A C 435 O O . ALA A 57 ? 0.1246 0.1454 0.1180 -0.0080 0.0211 0.0010 138 ALA A O 436 C CB . ALA A 57 ? 0.1839 0.1197 0.1370 -0.0457 0.0374 -0.0355 138 ALA A CB 437 N N . LEU A 58 ? 0.1166 0.0993 0.1061 -0.0341 0.0060 -0.0013 139 LEU A N 438 C CA . LEU A 58 ? 0.1127 0.0931 0.1193 -0.0265 -0.0184 0.0025 139 LEU A CA 439 C C . LEU A 58 ? 0.1205 0.1172 0.0998 -0.0231 -0.0048 -0.0267 139 LEU A C 440 O O . LEU A 58 ? 0.1329 0.1227 0.1149 -0.0163 0.0097 -0.0395 139 LEU A O 441 C CB . LEU A 58 ? 0.1091 0.1116 0.1086 -0.0294 -0.0045 -0.0125 139 LEU A CB 442 C CG . LEU A 58 ? 0.1305 0.1635 0.0890 -0.0344 -0.0110 -0.0061 139 LEU A CG 443 C CD1 . LEU A 58 ? 0.1332 0.1620 0.1618 -0.0389 -0.0158 -0.0059 139 LEU A CD1 444 C CD2 . LEU A 58 ? 0.1480 0.2065 0.1087 -0.0290 0.0018 0.0019 139 LEU A CD2 445 N N . LEU A 59 ? 0.1011 0.1353 0.1029 0.0028 0.0074 -0.0024 140 LEU A N 446 C CA . LEU A 59 ? 0.1003 0.1304 0.0845 0.0258 0.0002 -0.0069 140 LEU A CA 447 C C . LEU A 59 ? 0.1123 0.1525 0.0798 0.0113 0.0050 -0.0317 140 LEU A C 448 O O . LEU A 59 ? 0.1203 0.1397 0.0751 0.0030 -0.0227 -0.0369 140 LEU A O 449 C CB . LEU A 59 ? 0.1006 0.1207 0.1278 0.0143 0.0177 -0.0012 140 LEU A CB 450 C CG . LEU A 59 ? 0.0785 0.1242 0.1115 0.0034 -0.0034 -0.0326 140 LEU A CG 451 C CD1 . LEU A 59 ? 0.1097 0.1213 0.1286 0.0217 0.0111 -0.0577 140 LEU A CD1 452 C CD2 . LEU A 59 ? 0.0880 0.1312 0.1534 -0.0054 -0.0374 -0.0330 140 LEU A CD2 453 N N . ASN A 60 ? 0.1367 0.1630 0.0807 -0.0034 0.0133 -0.0139 141 ASN A N 454 C CA . ASN A 60 ? 0.1319 0.1436 0.0913 0.0041 0.0035 -0.0209 141 ASN A CA 455 C C . ASN A 60 ? 0.1233 0.1579 0.0969 0.0027 0.0062 -0.0082 141 ASN A C 456 O O . ASN A 60 ? 0.1109 0.1644 0.1424 -0.0162 0.0179 0.0101 141 ASN A O 457 C CB . ASN A 60 ? 0.1461 0.1492 0.1296 0.0148 -0.0313 0.0118 141 ASN A CB 458 C CG . ASN A 60 ? 0.1674 0.1533 0.1396 0.0142 -0.0426 0.0069 141 ASN A CG 459 O OD1 . ASN A 60 ? 0.1966 0.1524 0.1302 0.0269 -0.0202 0.0070 141 ASN A OD1 460 N ND2 . ASN A 60 ? 0.1548 0.1557 0.1680 0.0196 -0.0139 0.0045 141 ASN A ND2 461 N N . ASP A 61 ? 0.1306 0.1430 0.0930 0.0101 -0.0044 -0.0236 142 ASP A N 462 C CA . ASP A 61 ? 0.1402 0.1457 0.1030 0.0128 -0.0122 -0.0135 142 ASP A CA 463 C C . ASP A 61 ? 0.1281 0.1427 0.0795 0.0003 0.0130 -0.0307 142 ASP A C 464 O O . ASP A 61 ? 0.1417 0.1491 0.1356 -0.0241 0.0132 -0.0246 142 ASP A O 465 C CB . ASP A 61 ? 0.1429 0.1399 0.1133 0.0102 -0.0346 -0.0241 142 ASP A CB 466 C CG . ASP A 61 ? 0.1448 0.1362 0.1647 -0.0009 -0.0084 -0.0122 142 ASP A CG 467 O OD1 . ASP A 61 ? 0.1288 0.1404 0.1561 -0.0175 -0.0010 -0.0106 142 ASP A OD1 468 O OD2 . ASP A 61 ? 0.1487 0.1241 0.1466 -0.0099 -0.0169 -0.0398 142 ASP A OD2 469 N N . LYS A 62 ? 0.1523 0.1479 0.0822 -0.0131 -0.0002 -0.0461 143 LYS A N 470 C CA . LYS A 62 ? 0.1559 0.1580 0.1263 0.0117 0.0345 -0.0542 143 LYS A CA 471 C C . LYS A 62 ? 0.1599 0.1575 0.1068 -0.0003 0.0354 -0.0386 143 LYS A C 472 O O . LYS A 62 ? 0.1672 0.1672 0.1315 -0.0042 0.0154 -0.0370 143 LYS A O 473 C CB . LYS A 62 ? 0.1345 0.1712 0.1680 0.0165 0.0255 -0.0509 143 LYS A CB 474 C CG . LYS A 62 ? 0.1242 0.1839 0.1820 0.0419 0.0215 -0.0318 143 LYS A CG 475 C CD . LYS A 62 ? 0.1379 0.2207 0.1767 0.0511 0.0534 -0.0080 143 LYS A CD 476 C CE . LYS A 62 ? 0.1389 0.2419 0.1399 0.0448 0.0569 0.0020 143 LYS A CE 477 N NZ . LYS A 62 ? 0.1792 0.2626 0.1885 0.0262 0.0586 -0.0001 143 LYS A NZ 478 N N . HIS A 63 ? 0.1638 0.1334 0.1115 -0.0159 0.0427 -0.0304 144 HIS A N 479 C CA . HIS A 63 ? 0.1454 0.1543 0.0711 -0.0171 -0.0057 -0.0043 144 HIS A CA 480 C C . HIS A 63 ? 0.1484 0.1546 0.1234 -0.0046 0.0159 -0.0063 144 HIS A C 481 O O . HIS A 63 ? 0.1679 0.1631 0.1894 -0.0062 0.0249 0.0061 144 HIS A O 482 C CB . HIS A 63 ? 0.1190 0.1678 0.1201 -0.0176 -0.0018 -0.0024 144 HIS A CB 483 C CG . HIS A 63 ? 0.1162 0.1425 0.1495 -0.0053 0.0178 -0.0154 144 HIS A CG 484 N ND1 . HIS A 63 ? 0.0988 0.1367 0.1499 -0.0168 0.0149 -0.0107 144 HIS A ND1 485 C CD2 . HIS A 63 ? 0.1228 0.1480 0.1090 -0.0019 0.0076 -0.0118 144 HIS A CD2 486 C CE1 . HIS A 63 ? 0.1366 0.1496 0.1418 -0.0021 0.0274 -0.0079 144 HIS A CE1 487 N NE2 . HIS A 63 ? 0.1305 0.1416 0.1579 -0.0187 0.0288 -0.0146 144 HIS A NE2 488 N N . SER A 64 ? 0.1253 0.1758 0.1259 0.0034 0.0017 -0.0397 145 SER A N 489 C CA . SER A 64 ? 0.1408 0.1806 0.1200 0.0122 -0.0042 -0.0543 145 SER A CA 490 C C . SER A 64 ? 0.1544 0.1892 0.1343 -0.0071 0.0273 -0.0588 145 SER A C 491 O O . SER A 64 ? 0.1365 0.1971 0.1936 -0.0247 0.0023 -0.0342 145 SER A O 492 C CB . SER A 64 ? 0.1615 0.1927 0.0771 0.0193 0.0048 -0.0475 145 SER A CB 493 O OG . SER A 64 ? 0.1727 0.2037 0.1287 0.0218 0.0055 -0.0328 145 SER A OG 494 N N . ASN A 65 ? 0.1739 0.1876 0.0978 -0.0168 0.0041 -0.0618 146 ASN A N 495 C CA . ASN A 65 ? 0.2049 0.2033 0.1086 -0.0161 -0.0060 -0.0763 146 ASN A CA 496 C C . ASN A 65 ? 0.2311 0.2217 0.1853 -0.0257 -0.0318 -0.0294 146 ASN A C 497 O O . ASN A 65 ? 0.2464 0.2154 0.1873 -0.0323 -0.0416 -0.0020 146 ASN A O 498 C CB . ASN A 65 ? 0.2356 0.2316 0.1269 0.0118 -0.0029 -0.1235 146 ASN A CB 499 C CG . ASN A 65 ? 0.2487 0.2611 0.1814 0.0205 -0.0224 -0.0989 146 ASN A CG 500 O OD1 . ASN A 65 ? 0.2295 0.2227 0.1639 0.0448 -0.0200 -0.0832 146 ASN A OD1 501 N ND2 . ASN A 65 ? 0.3056 0.3122 0.1622 0.0008 -0.0353 -0.1348 146 ASN A ND2 502 N N . ASN A 66 ? 0.2293 0.2383 0.2476 -0.0389 -0.0041 -0.0092 147 ASN A N 503 C CA . ASN A 66 ? 0.2633 0.2701 0.3004 -0.0453 -0.0175 -0.0082 147 ASN A CA 504 C C . ASN A 66 ? 0.2869 0.2672 0.3111 -0.0610 -0.0309 -0.0152 147 ASN A C 505 O O . ASN A 66 ? 0.3128 0.2976 0.3810 -0.0501 -0.0388 -0.0521 147 ASN A O 506 C CB . ASN A 66 ? 0.2799 0.2949 0.3710 -0.0605 -0.0002 0.0031 147 ASN A CB 507 C CG . ASN A 66 ? 0.3010 0.3139 0.4688 -0.0578 -0.0388 0.0029 147 ASN A CG 508 O OD1 . ASN A 66 ? 0.3311 0.3387 0.5530 -0.0451 -0.0275 0.0264 147 ASN A OD1 509 N ND2 . ASN A 66 ? 0.2921 0.3180 0.4827 -0.0577 -0.0450 -0.0119 147 ASN A ND2 510 N N . THR A 67 ? 0.2975 0.2670 0.2583 -0.0590 -0.0070 -0.0041 148 THR A N 511 C CA . THR A 67 ? 0.3278 0.2677 0.3026 -0.0559 0.0137 -0.0015 148 THR A CA 512 C C . THR A 67 ? 0.3572 0.2869 0.3269 -0.0371 -0.0082 0.0129 148 THR A C 513 O O . THR A 67 ? 0.3923 0.2869 0.3749 -0.0167 -0.0112 0.0169 148 THR A O 514 C CB . THR A 67 ? 0.3316 0.2779 0.3336 -0.0626 0.0515 -0.0507 148 THR A CB 515 O OG1 . THR A 67 ? 0.3560 0.3004 0.3808 -0.0613 0.0624 -0.0830 148 THR A OG1 516 C CG2 . THR A 67 ? 0.3238 0.2534 0.3473 -0.0563 0.0516 -0.0238 148 THR A CG2 517 N N . VAL A 68 ? 0.3384 0.2984 0.2950 -0.0613 -0.0038 0.0230 149 VAL A N 518 C CA . VAL A 68 ? 0.3351 0.3387 0.3027 -0.0756 -0.0006 0.0393 149 VAL A CA 519 C C . VAL A 68 ? 0.3326 0.3330 0.3130 -0.0677 -0.0046 0.0384 149 VAL A C 520 O O . VAL A 68 ? 0.3284 0.3263 0.3244 -0.0606 -0.0296 0.0458 149 VAL A O 521 C CB . VAL A 68 ? 0.3365 0.3842 0.3407 -0.0896 0.0032 0.0876 149 VAL A CB 522 C CG1 . VAL A 68 ? 0.3406 0.4058 0.3568 -0.0886 -0.0134 0.0836 149 VAL A CG1 523 C CG2 . VAL A 68 ? 0.3323 0.3946 0.3329 -0.1038 0.0344 0.1035 149 VAL A CG2 524 N N . LYS A 69 ? 0.3315 0.3357 0.2557 -0.0396 -0.0017 0.0150 150 LYS A N 525 C CA . LYS A 69 ? 0.3294 0.3472 0.2374 -0.0230 0.0305 0.0102 150 LYS A CA 526 C C . LYS A 69 ? 0.2832 0.3049 0.1885 -0.0139 0.0283 0.0221 150 LYS A C 527 O O . LYS A 69 ? 0.2757 0.2815 0.1926 -0.0195 0.0538 0.0505 150 LYS A O 528 C CB . LYS A 69 ? 0.3720 0.3985 0.2830 -0.0070 0.0307 -0.0010 150 LYS A CB 529 C CG . LYS A 69 ? 0.4187 0.4523 0.3882 0.0125 0.0291 -0.0248 150 LYS A CG 530 C CD . LYS A 69 ? 0.4524 0.4987 0.4625 0.0274 0.0152 -0.0468 150 LYS A CD 531 C CE . LYS A 69 ? 0.4709 0.5364 0.5276 0.0304 0.0141 -0.0758 150 LYS A CE 532 N NZ . LYS A 69 ? 0.4847 0.5577 0.5737 0.0323 0.0027 -0.0923 150 LYS A NZ 533 N N . ASP A 70 ? 0.2498 0.2978 0.1458 0.0022 0.0265 0.0142 151 ASP A N 534 C CA . ASP A 70 ? 0.2457 0.3049 0.1855 0.0144 0.0016 0.0211 151 ASP A CA 535 C C . ASP A 70 ? 0.2367 0.2475 0.1645 -0.0128 0.0131 0.0032 151 ASP A C 536 O O . ASP A 70 ? 0.2246 0.2339 0.1791 -0.0151 0.0043 -0.0432 151 ASP A O 537 C CB . ASP A 70 ? 0.2503 0.3587 0.2657 0.0390 0.0061 0.0613 151 ASP A CB 538 C CG . ASP A 70 ? 0.2853 0.4141 0.3859 0.0599 0.0050 0.0942 151 ASP A CG 539 O OD1 . ASP A 70 ? 0.3021 0.4277 0.4681 0.0692 0.0011 0.0946 151 ASP A OD1 540 O OD2 . ASP A 70 ? 0.3018 0.4428 0.4375 0.0732 0.0036 0.0978 151 ASP A OD2 541 N N . ARG A 71 ? 0.2204 0.2144 0.1277 -0.0445 0.0271 0.0187 152 ARG A N 542 C CA . ARG A 71 ? 0.1944 0.1780 0.1113 -0.0427 0.0055 0.0081 152 ARG A CA 543 C C . ARG A 71 ? 0.2061 0.1782 0.2247 -0.0609 0.0200 -0.0106 152 ARG A C 544 O O . ARG A 71 ? 0.2397 0.2087 0.3167 -0.0551 0.0356 -0.0160 152 ARG A O 545 C CB . ARG A 71 ? 0.1839 0.1884 0.1149 -0.0473 0.0044 -0.0127 152 ARG A CB 546 C CG . ARG A 71 ? 0.1721 0.1713 0.1090 -0.0639 0.0156 -0.0039 152 ARG A CG 547 C CD . ARG A 71 ? 0.1751 0.1595 0.1107 -0.0688 -0.0125 -0.0010 152 ARG A CD 548 N NE . ARG A 71 ? 0.1726 0.1539 0.1269 -0.0553 -0.0312 -0.0481 152 ARG A NE 549 C CZ . ARG A 71 ? 0.1782 0.1642 0.1638 -0.0272 -0.0364 -0.0327 152 ARG A CZ 550 N NH1 . ARG A 71 ? 0.1897 0.1703 0.2298 -0.0084 -0.0517 -0.0256 152 ARG A NH1 551 N NH2 . ARG A 71 ? 0.1929 0.1763 0.1599 -0.0308 -0.0387 -0.0099 152 ARG A NH2 552 N N . SER A 72 ? 0.1749 0.1673 0.1502 -0.0615 0.0005 -0.0272 153 SER A N 553 C CA . SER A 72 ? 0.1692 0.1594 0.1525 -0.0359 0.0078 -0.0161 153 SER A CA 554 C C . SER A 72 ? 0.1653 0.1710 0.1382 -0.0217 -0.0115 -0.0238 153 SER A C 555 O O . SER A 72 ? 0.1711 0.1977 0.1535 -0.0220 0.0065 -0.0171 153 SER A O 556 C CB . SER A 72 ? 0.1974 0.1748 0.1539 -0.0327 -0.0222 -0.0170 153 SER A CB 557 O OG . SER A 72 ? 0.2043 0.1861 0.1475 -0.0128 -0.0373 -0.0276 153 SER A OG 558 N N . PRO A 73 ? 0.1694 0.1710 0.1579 -0.0271 0.0137 -0.0291 154 PRO A N 559 C CA . PRO A 73 ? 0.1597 0.1757 0.1782 -0.0243 -0.0208 -0.0185 154 PRO A CA 560 C C . PRO A 73 ? 0.1631 0.1717 0.1570 -0.0302 0.0003 0.0044 154 PRO A C 561 O O . PRO A 73 ? 0.1836 0.1975 0.1809 -0.0479 -0.0463 0.0286 154 PRO A O 562 C CB . PRO A 73 ? 0.1793 0.1852 0.2165 -0.0142 -0.0070 -0.0348 154 PRO A CB 563 C CG . PRO A 73 ? 0.1854 0.2030 0.2053 -0.0035 -0.0005 -0.0377 154 PRO A CG 564 C CD . PRO A 73 ? 0.1725 0.1847 0.1531 -0.0152 0.0434 -0.0178 154 PRO A CD 565 N N . TYR A 74 ? 0.1487 0.1435 0.1173 -0.0071 0.0263 -0.0271 155 TYR A N 566 C CA . TYR A 74 ? 0.1497 0.1552 0.1096 -0.0124 0.0215 -0.0217 155 TYR A CA 567 C C . TYR A 74 ? 0.1185 0.1687 0.1432 0.0020 0.0027 -0.0421 155 TYR A C 568 O O . TYR A 74 ? 0.1334 0.1797 0.1953 -0.0249 0.0321 -0.0582 155 TYR A O 569 C CB . TYR A 74 ? 0.1510 0.1514 0.0995 -0.0052 0.0306 0.0027 155 TYR A CB 570 C CG . TYR A 74 ? 0.1539 0.1423 0.0877 -0.0077 0.0204 -0.0191 155 TYR A CG 571 C CD1 . TYR A 74 ? 0.1559 0.1489 0.1299 0.0002 0.0163 0.0145 155 TYR A CD1 572 C CD2 . TYR A 74 ? 0.1479 0.1384 0.1184 -0.0250 0.0012 -0.0199 155 TYR A CD2 573 C CE1 . TYR A 74 ? 0.1660 0.1329 0.1042 0.0067 -0.0050 -0.0313 155 TYR A CE1 574 C CE2 . TYR A 74 ? 0.1505 0.1492 0.1349 -0.0124 -0.0211 -0.0444 155 TYR A CE2 575 C CZ . TYR A 74 ? 0.1719 0.1520 0.1474 0.0023 -0.0155 -0.0465 155 TYR A CZ 576 O OH . TYR A 74 ? 0.1934 0.1782 0.1751 0.0071 -0.0102 -0.0643 155 TYR A OH 577 N N . ARG A 75 ? 0.0999 0.1571 0.1093 0.0109 0.0080 -0.0040 156 ARG A N 578 C CA . ARG A 75 ? 0.0991 0.1407 0.1356 0.0201 -0.0111 -0.0173 156 ARG A CA 579 C C . ARG A 75 ? 0.1042 0.1316 0.1096 0.0256 0.0232 -0.0086 156 ARG A C 580 O O . ARG A 75 ? 0.1092 0.1257 0.1110 0.0136 0.0029 -0.0087 156 ARG A O 581 C CB . ARG A 75 ? 0.1117 0.1632 0.1443 0.0364 -0.0196 0.0039 156 ARG A CB 582 C CG . ARG A 75 ? 0.1800 0.2053 0.1422 0.0472 -0.0322 0.0203 156 ARG A CG 583 C CD . ARG A 75 ? 0.2016 0.2154 0.1844 0.0478 -0.0576 -0.0173 156 ARG A CD 584 N NE . ARG A 75 ? 0.1969 0.2044 0.2394 0.0574 -0.1014 -0.0411 156 ARG A NE 585 C CZ . ARG A 75 ? 0.2234 0.2180 0.2553 0.0326 -0.0618 -0.0287 156 ARG A CZ 586 N NH1 . ARG A 75 ? 0.2463 0.2244 0.2766 0.0262 -0.0651 -0.0198 156 ARG A NH1 587 N NH2 . ARG A 75 ? 0.2209 0.2457 0.2275 0.0346 -0.0391 -0.0409 156 ARG A NH2 588 N N . ALA A 76 ? 0.0997 0.1461 0.1153 0.0143 0.0336 -0.0163 157 ALA A N 589 C CA . ALA A 76 ? 0.0880 0.1445 0.1581 0.0042 0.0151 -0.0061 157 ALA A CA 590 C C . ALA A 76 ? 0.0862 0.1312 0.1029 -0.0016 0.0069 0.0142 157 ALA A C 591 O O . ALA A 76 ? 0.0962 0.1442 0.1043 0.0309 -0.0143 0.0041 157 ALA A O 592 C CB . ALA A 76 ? 0.0938 0.1412 0.1867 -0.0255 0.0204 -0.0033 157 ALA A CB 593 N N . LEU A 77 ? 0.0973 0.1119 0.1046 -0.0073 0.0339 -0.0015 158 LEU A N 594 C CA . LEU A 77 ? 0.1020 0.0951 0.1128 -0.0037 0.0384 -0.0060 158 LEU A CA 595 C C . LEU A 77 ? 0.1024 0.0933 0.1303 -0.0206 0.0113 -0.0029 158 LEU A C 596 O O . LEU A 77 ? 0.1054 0.0961 0.1265 -0.0195 0.0044 -0.0021 158 LEU A O 597 C CB . LEU A 77 ? 0.1114 0.0935 0.1090 0.0024 0.0334 -0.0068 158 LEU A CB 598 C CG . LEU A 77 ? 0.1047 0.1048 0.1105 -0.0028 0.0058 0.0135 158 LEU A CG 599 C CD1 . LEU A 77 ? 0.0859 0.1112 0.1533 -0.0146 -0.0217 0.0074 158 LEU A CD1 600 C CD2 . LEU A 77 ? 0.1326 0.1446 0.1244 -0.0317 0.0173 -0.0065 158 LEU A CD2 601 N N . MET A 78 ? 0.1020 0.0767 0.1395 -0.0351 -0.0012 0.0134 159 MET A N 602 C CA . MET A 78 ? 0.1029 0.0872 0.0777 -0.0134 0.0146 0.0076 159 MET A CA 603 C C . MET A 78 ? 0.0973 0.0985 0.1188 -0.0045 0.0106 -0.0040 159 MET A C 604 O O . MET A 78 ? 0.0823 0.1235 0.1135 -0.0087 0.0082 -0.0038 159 MET A O 605 C CB . MET A 78 ? 0.1185 0.1028 0.1212 0.0043 0.0377 0.0020 159 MET A CB 606 C CG . MET A 78 ? 0.1437 0.1385 0.1208 -0.0068 0.0501 0.0029 159 MET A CG 607 S SD . MET A 78 ? 0.1344 0.1505 0.1586 -0.0135 0.0177 -0.0132 159 MET A SD 608 C CE . MET A 78 ? 0.1404 0.1663 0.1849 0.0125 0.0220 -0.0291 159 MET A CE 609 N N . SER A 79 ? 0.1076 0.0670 0.1242 0.0214 0.0028 -0.0057 160 SER A N 610 C CA . SER A 79 ? 0.0957 0.0716 0.0839 0.0073 0.0237 0.0055 160 SER A CA 611 C C . SER A 79 ? 0.1006 0.0989 0.1378 -0.0095 0.0083 0.0223 160 SER A C 612 O O . SER A 79 ? 0.1245 0.1149 0.1057 -0.0159 0.0026 0.0062 160 SER A O 613 C CB . SER A 79 ? 0.1100 0.0885 0.0961 -0.0066 -0.0133 0.0146 160 SER A CB 614 O OG . SER A 79 ? 0.1076 0.1115 0.1085 -0.0010 -0.0120 0.0029 160 SER A OG 615 N N . VAL A 80 ? 0.0936 0.0982 0.1191 -0.0106 0.0046 0.0277 161 VAL A N 616 C CA . VAL A 80 ? 0.1003 0.1018 0.0795 -0.0197 0.0400 0.0260 161 VAL A CA 617 C C . VAL A 80 ? 0.1000 0.1063 0.1051 -0.0046 0.0111 0.0272 161 VAL A C 618 O O . VAL A 80 ? 0.1069 0.1034 0.1309 -0.0152 0.0110 0.0189 161 VAL A O 619 C CB . VAL A 80 ? 0.0819 0.1310 0.0720 -0.0182 0.0062 0.0202 161 VAL A CB 620 C CG1 . VAL A 80 ? 0.1031 0.1294 0.0953 -0.0135 0.0246 0.0059 161 VAL A CG1 621 C CG2 . VAL A 80 ? 0.0916 0.1582 0.1424 -0.0172 -0.0131 0.0032 161 VAL A CG2 622 N N . PRO A 81 ? 0.0995 0.1223 0.1520 0.0059 0.0106 -0.0111 162 PRO A N 623 C CA . PRO A 81 ? 0.0897 0.1332 0.1818 0.0079 0.0013 -0.0243 162 PRO A CA 624 C C . PRO A 81 ? 0.0943 0.1473 0.1472 0.0094 0.0302 -0.0201 162 PRO A C 625 O O . PRO A 81 ? 0.1001 0.1507 0.1687 0.0143 0.0209 -0.0079 162 PRO A O 626 C CB . PRO A 81 ? 0.1045 0.1482 0.1925 -0.0065 -0.0358 -0.0388 162 PRO A CB 627 C CG . PRO A 81 ? 0.1200 0.1437 0.2121 0.0107 -0.0025 -0.0577 162 PRO A CG 628 C CD . PRO A 81 ? 0.1174 0.1380 0.1846 0.0034 -0.0045 -0.0442 162 PRO A CD 629 N N . LEU A 82 ? 0.0881 0.1476 0.1350 0.0232 0.0164 -0.0103 163 LEU A N 630 C CA . LEU A 82 ? 0.0963 0.1524 0.1404 0.0233 0.0251 -0.0051 163 LEU A CA 631 C C . LEU A 82 ? 0.1169 0.1268 0.1394 0.0132 -0.0004 -0.0085 163 LEU A C 632 O O . LEU A 82 ? 0.1491 0.1259 0.1566 0.0148 -0.0233 -0.0278 163 LEU A O 633 C CB . LEU A 82 ? 0.1166 0.1811 0.1183 0.0337 0.0396 0.0037 163 LEU A CB 634 C CG . LEU A 82 ? 0.1219 0.1772 0.1234 0.0438 0.0245 -0.0166 163 LEU A CG 635 C CD1 . LEU A 82 ? 0.1251 0.1689 0.2087 0.0097 -0.0147 -0.0114 163 LEU A CD1 636 C CD2 . LEU A 82 ? 0.1299 0.1824 0.1827 0.0599 0.0417 -0.0008 163 LEU A CD2 637 N N . GLY A 83 ? 0.1024 0.1054 0.1319 0.0098 -0.0058 0.0323 164 GLY A N 638 C CA . GLY A 83 ? 0.1135 0.1110 0.1067 0.0170 0.0044 0.0036 164 GLY A CA 639 C C . GLY A 83 ? 0.1011 0.1087 0.1140 0.0162 0.0018 -0.0207 164 GLY A C 640 O O . GLY A 83 ? 0.1282 0.1189 0.1338 0.0061 -0.0011 -0.0170 164 GLY A O 641 N N . SER A 84 A 0.0978 0.1057 0.1301 0.0156 0.0041 -0.0154 164 SER A N 642 C CA . SER A 84 A 0.0949 0.1060 0.1079 0.0106 -0.0153 -0.0274 164 SER A CA 643 C C . SER A 84 A 0.0905 0.0997 0.1151 -0.0150 -0.0065 -0.0025 164 SER A C 644 O O . SER A 84 A 0.0984 0.1042 0.1708 -0.0243 -0.0053 0.0024 164 SER A O 645 C CB . SER A 84 A 0.1069 0.0981 0.1314 0.0147 -0.0334 -0.0271 164 SER A CB 646 O OG . SER A 84 A 0.1094 0.1203 0.1581 0.0136 -0.0257 -0.0336 164 SER A OG 647 N N . SER A 85 ? 0.1028 0.1070 0.1214 0.0258 0.0131 -0.0256 165 SER A N 648 C CA . SER A 85 ? 0.1284 0.0844 0.1000 0.0029 -0.0050 -0.0133 165 SER A CA 649 C C . SER A 85 ? 0.1171 0.0962 0.1303 0.0077 -0.0046 0.0090 165 SER A C 650 O O . SER A 85 ? 0.1200 0.0928 0.1231 0.0067 -0.0081 -0.0018 165 SER A O 651 C CB . SER A 85 ? 0.1321 0.1044 0.1292 -0.0181 -0.0151 0.0051 165 SER A CB 652 O OG . SER A 85 ? 0.1252 0.1096 0.1552 0.0076 -0.0348 0.0129 165 SER A OG 653 N N . PRO A 86 ? 0.1050 0.0865 0.1286 0.0166 -0.0244 -0.0003 166 PRO A N 654 C CA . PRO A 86 ? 0.1000 0.0956 0.1462 -0.0002 -0.0025 -0.0248 166 PRO A CA 655 C C . PRO A 86 ? 0.1076 0.0846 0.1370 -0.0013 0.0043 -0.0129 166 PRO A C 656 O O . PRO A 86 ? 0.1133 0.0995 0.1251 0.0040 0.0053 -0.0019 166 PRO A O 657 C CB . PRO A 86 ? 0.1030 0.1284 0.1239 -0.0023 -0.0603 -0.0235 166 PRO A CB 658 C CG . PRO A 86 ? 0.0912 0.1015 0.1194 0.0249 -0.0277 -0.0186 166 PRO A CG 659 C CD . PRO A 86 ? 0.0962 0.0759 0.1396 0.0064 -0.0368 -0.0156 166 PRO A CD 660 N N . ASN A 87 ? 0.0952 0.1082 0.1182 -0.0218 0.0105 0.0063 167 ASN A N 661 C CA . ASN A 87 ? 0.0877 0.0860 0.1015 -0.0302 0.0256 0.0030 167 ASN A CA 662 C C . ASN A 87 ? 0.1084 0.0916 0.0861 -0.0152 0.0055 -0.0119 167 ASN A C 663 O O . ASN A 87 ? 0.1308 0.1107 0.1089 0.0001 0.0161 0.0126 167 ASN A O 664 C CB . ASN A 87 ? 0.1263 0.0807 0.1203 -0.0188 -0.0004 -0.0197 167 ASN A CB 665 C CG . ASN A 87 ? 0.1195 0.0799 0.0995 0.0038 -0.0045 -0.0174 167 ASN A CG 666 O OD1 . ASN A 87 ? 0.1261 0.0944 0.1402 -0.0131 -0.0084 -0.0025 167 ASN A OD1 667 N ND2 . ASN A 87 ? 0.1284 0.0854 0.1489 0.0226 0.0044 -0.0081 167 ASN A ND2 668 N N . ALA A 88 ? 0.0877 0.0961 0.1115 0.0034 0.0255 -0.0041 168 ALA A N 669 C CA . ALA A 88 ? 0.0931 0.1140 0.0736 0.0254 0.0109 -0.0376 168 ALA A CA 670 C C . ALA A 88 ? 0.1021 0.1112 0.0675 -0.0029 -0.0022 -0.0220 168 ALA A C 671 O O . ALA A 88 ? 0.1045 0.1260 0.1374 0.0226 -0.0101 0.0178 168 ALA A O 672 C CB . ALA A 88 ? 0.1437 0.1374 0.1044 0.0238 -0.0077 -0.0276 168 ALA A CB 673 N N . TYR A 89 ? 0.1071 0.1054 0.0925 -0.0062 0.0112 -0.0094 169 TYR A N 674 C CA . TYR A 89 ? 0.1112 0.1036 0.0725 -0.0251 -0.0015 0.0047 169 TYR A CA 675 C C . TYR A 89 ? 0.1038 0.1414 0.0539 -0.0372 0.0094 -0.0271 169 TYR A C 676 O O . TYR A 89 ? 0.1066 0.2260 0.1095 -0.0188 -0.0194 -0.0346 169 TYR A O 677 C CB . TYR A 89 ? 0.1080 0.1008 0.1082 -0.0198 -0.0083 0.0312 169 TYR A CB 678 C CG . TYR A 89 ? 0.0920 0.1078 0.1327 -0.0056 0.0194 0.0039 169 TYR A CG 679 C CD1 . TYR A 89 ? 0.0860 0.1087 0.1521 -0.0119 0.0334 0.0101 169 TYR A CD1 680 C CD2 . TYR A 89 ? 0.1032 0.1117 0.1457 -0.0155 0.0058 0.0123 169 TYR A CD2 681 C CE1 . TYR A 89 ? 0.0994 0.1045 0.1057 -0.0111 0.0234 0.0192 169 TYR A CE1 682 C CE2 . TYR A 89 ? 0.0891 0.1075 0.1331 -0.0211 0.0191 -0.0198 169 TYR A CE2 683 C CZ . TYR A 89 ? 0.0844 0.1087 0.1019 -0.0223 0.0316 0.0185 169 TYR A CZ 684 O OH . TYR A 89 ? 0.1003 0.1304 0.1172 0.0025 0.0159 0.0061 169 TYR A OH 685 N N . GLN A 90 ? 0.1108 0.1140 0.0939 -0.0314 0.0336 -0.0144 170 GLN A N 686 C CA . GLN A 90 ? 0.1165 0.1128 0.1076 -0.0202 0.0238 0.0119 170 GLN A CA 687 C C . GLN A 90 ? 0.1220 0.1341 0.0819 -0.0218 0.0338 0.0012 170 GLN A C 688 O O . GLN A 90 ? 0.1502 0.1980 0.0856 -0.0525 0.0189 0.0156 170 GLN A O 689 C CB . GLN A 90 ? 0.1220 0.1290 0.1418 -0.0011 -0.0031 0.0011 170 GLN A CB 690 C CG . GLN A 90 ? 0.1458 0.0993 0.1277 0.0050 -0.0072 -0.0348 170 GLN A CG 691 C CD . GLN A 90 ? 0.1967 0.1360 0.1751 0.0019 -0.0330 -0.0658 170 GLN A CD 692 O OE1 . GLN A 90 ? 0.1852 0.1435 0.1635 0.0179 -0.0335 -0.0582 170 GLN A OE1 693 N NE2 . GLN A 90 ? 0.2494 0.1753 0.2819 -0.0036 -0.0279 -0.0887 170 GLN A NE2 694 N N . ALA A 91 ? 0.1126 0.1289 0.1248 -0.0124 0.0250 0.0150 171 ALA A N 695 C CA . ALA A 91 ? 0.1282 0.1278 0.1159 -0.0059 -0.0019 0.0309 171 ALA A CA 696 C C . ALA A 91 ? 0.1175 0.1204 0.1232 -0.0083 -0.0055 0.0151 171 ALA A C 697 O O . ALA A 91 ? 0.1166 0.1322 0.1753 -0.0185 0.0026 0.0468 171 ALA A O 698 C CB . ALA A 91 ? 0.1416 0.1249 0.1326 -0.0140 0.0092 0.0033 171 ALA A CB 699 N N . LYS A 92 ? 0.1402 0.1134 0.1056 -0.0054 -0.0210 0.0445 172 LYS A N 700 C CA . LYS A 92 ? 0.1384 0.1136 0.0584 -0.0228 0.0073 0.0051 172 LYS A CA 701 C C . LYS A 92 ? 0.1144 0.1056 0.0918 -0.0013 0.0106 0.0072 172 LYS A C 702 O O . LYS A 92 ? 0.1032 0.1113 0.1467 0.0019 -0.0019 -0.0009 172 LYS A O 703 C CB . LYS A 92 ? 0.1774 0.1521 0.0429 -0.0231 0.0057 0.0325 172 LYS A CB 704 C CG . LYS A 92 ? 0.2307 0.1896 0.0402 -0.0379 0.0053 0.0100 172 LYS A CG 705 C CD . LYS A 92 ? 0.2688 0.2369 0.0561 -0.0249 0.0047 0.0089 172 LYS A CD 706 C CE . LYS A 92 ? 0.3209 0.2705 0.1151 -0.0289 0.0399 0.0324 172 LYS A CE 707 N NZ . LYS A 92 ? 0.3551 0.3030 0.1978 -0.0302 0.0253 0.0100 172 LYS A NZ 708 N N . PHE A 93 ? 0.1108 0.0957 0.1211 -0.0029 0.0117 0.0088 173 PHE A N 709 C CA . PHE A 93 ? 0.0991 0.0950 0.1386 0.0147 0.0382 0.0095 173 PHE A CA 710 C C . PHE A 93 ? 0.1074 0.1045 0.1285 0.0040 0.0194 0.0387 173 PHE A C 711 O O . PHE A 93 ? 0.1275 0.1313 0.1389 -0.0023 -0.0124 0.0244 173 PHE A O 712 C CB . PHE A 93 ? 0.1046 0.0918 0.1570 0.0029 0.0113 -0.0216 173 PHE A CB 713 C CG . PHE A 93 ? 0.1125 0.0729 0.1370 -0.0030 0.0003 -0.0188 173 PHE A CG 714 C CD1 . PHE A 93 ? 0.1252 0.0788 0.1419 -0.0112 0.0083 -0.0252 173 PHE A CD1 715 C CD2 . PHE A 93 ? 0.1174 0.0928 0.1866 0.0250 -0.0006 -0.0031 173 PHE A CD2 716 C CE1 . PHE A 93 ? 0.1306 0.0896 0.1995 -0.0064 0.0116 -0.0004 173 PHE A CE1 717 C CE2 . PHE A 93 ? 0.1309 0.1147 0.2034 0.0007 0.0082 0.0005 173 PHE A CE2 718 C CZ . PHE A 93 ? 0.1382 0.1128 0.2129 -0.0031 0.0402 0.0120 173 PHE A CZ 719 N N . GLU A 94 ? 0.0937 0.0655 0.1418 -0.0155 0.0128 0.0110 174 GLU A N 720 C CA . GLU A 94 ? 0.1051 0.0814 0.1407 0.0039 0.0106 0.0120 174 GLU A CA 721 C C . GLU A 94 ? 0.1266 0.0883 0.1077 -0.0066 -0.0007 -0.0177 174 GLU A C 722 O O . GLU A 94 ? 0.1518 0.0900 0.1327 -0.0061 -0.0316 0.0172 174 GLU A O 723 C CB . GLU A 94 ? 0.1247 0.0942 0.1856 0.0034 0.0210 0.0087 174 GLU A CB 724 C CG . GLU A 94 ? 0.1579 0.1125 0.1312 0.0121 0.0075 -0.0075 174 GLU A CG 725 C CD . GLU A 94 ? 0.1901 0.1211 0.1569 0.0209 -0.0003 0.0047 174 GLU A CD 726 O OE1 . GLU A 94 ? 0.2374 0.1307 0.1857 0.0378 0.0221 -0.0069 174 GLU A OE1 727 O OE2 . GLU A 94 ? 0.1710 0.1412 0.1645 0.0039 -0.0129 0.0125 174 GLU A OE2 728 N N . SER A 95 ? 0.1152 0.0802 0.1184 -0.0007 0.0112 -0.0210 175 SER A N 729 C CA . SER A 95 ? 0.1140 0.0916 0.1173 0.0046 0.0350 -0.0155 175 SER A CA 730 C C . SER A 95 ? 0.1175 0.0991 0.1070 0.0148 0.0246 -0.0295 175 SER A C 731 O O . SER A 95 ? 0.1187 0.1237 0.1249 0.0033 -0.0080 0.0057 175 SER A O 732 C CB . SER A 95 ? 0.1226 0.0914 0.1433 0.0024 0.0220 0.0052 175 SER A CB 733 O OG . SER A 95 ? 0.1143 0.1215 0.1094 -0.0125 0.0177 0.0045 175 SER A OG 734 N N . VAL A 96 ? 0.1094 0.0920 0.0922 0.0130 0.0017 -0.0153 176 VAL A N 735 C CA . VAL A 96 ? 0.1031 0.1013 0.1335 0.0051 -0.0056 -0.0250 176 VAL A CA 736 C C . VAL A 96 ? 0.0990 0.1053 0.1329 -0.0154 -0.0102 0.0312 176 VAL A C 737 O O . VAL A 96 ? 0.1205 0.1463 0.1403 -0.0102 0.0019 0.0393 176 VAL A O 738 C CB . VAL A 96 ? 0.1118 0.0877 0.1319 -0.0009 -0.0075 -0.0231 176 VAL A CB 739 C CG1 . VAL A 96 ? 0.1457 0.1063 0.1052 0.0125 0.0066 -0.0307 176 VAL A CG1 740 C CG2 . VAL A 96 ? 0.1027 0.0974 0.1443 -0.0012 -0.0024 0.0007 176 VAL A CG2 741 N N . ALA A 97 ? 0.0719 0.1128 0.0978 -0.0054 -0.0322 0.0172 177 ALA A N 742 C CA . ALA A 97 ? 0.0834 0.1276 0.0842 0.0009 -0.0102 -0.0286 177 ALA A CA 743 C C . ALA A 97 ? 0.0804 0.1224 0.0531 -0.0015 -0.0082 -0.0214 177 ALA A C 744 O O . ALA A 97 ? 0.0952 0.1278 0.1210 -0.0141 0.0178 0.0207 177 ALA A O 745 C CB . ALA A 97 ? 0.1075 0.1157 0.1010 0.0087 0.0004 -0.0396 177 ALA A CB 746 N N . TRP A 98 ? 0.0931 0.1392 0.0881 -0.0182 -0.0090 -0.0445 178 TRP A N 747 C CA . TRP A 98 ? 0.1115 0.1404 0.1008 -0.0114 -0.0069 -0.0359 178 TRP A CA 748 C C . TRP A 98 ? 0.0935 0.1330 0.0925 -0.0243 -0.0013 -0.0323 178 TRP A C 749 O O . TRP A 98 ? 0.1113 0.1389 0.1033 -0.0110 -0.0156 -0.0244 178 TRP A O 750 C CB . TRP A 98 ? 0.1398 0.1229 0.1055 0.0021 -0.0156 -0.0229 178 TRP A CB 751 C CG . TRP A 98 ? 0.1307 0.1215 0.1099 -0.0015 0.0056 -0.0206 178 TRP A CG 752 C CD1 . TRP A 98 ? 0.1390 0.1165 0.1082 0.0038 -0.0029 -0.0095 178 TRP A CD1 753 C CD2 . TRP A 98 ? 0.1300 0.1242 0.1188 0.0013 -0.0042 -0.0040 178 TRP A CD2 754 N NE1 . TRP A 98 ? 0.1156 0.1128 0.0944 -0.0078 -0.0110 -0.0165 178 TRP A NE1 755 C CE2 . TRP A 98 ? 0.1086 0.1223 0.0958 -0.0096 0.0389 0.0016 178 TRP A CE2 756 C CE3 . TRP A 98 ? 0.1368 0.1304 0.1001 -0.0084 -0.0058 -0.0045 178 TRP A CE3 757 C CZ2 . TRP A 98 ? 0.1041 0.1402 0.1242 -0.0090 0.0224 -0.0003 178 TRP A CZ2 758 C CZ3 . TRP A 98 ? 0.1328 0.1394 0.1330 -0.0049 -0.0065 -0.0051 178 TRP A CZ3 759 C CH2 . TRP A 98 ? 0.1098 0.1371 0.1326 0.0016 0.0313 -0.0083 178 TRP A CH2 760 N N . SER A 99 ? 0.0855 0.1444 0.1120 0.0000 0.0134 -0.0461 179 SER A N 761 C CA . SER A 99 ? 0.0833 0.1242 0.1031 -0.0039 0.0014 -0.0247 179 SER A CA 762 C C . SER A 99 ? 0.0970 0.1153 0.0907 -0.0097 -0.0018 -0.0077 179 SER A C 763 O O . SER A 99 ? 0.1009 0.1316 0.1178 -0.0226 -0.0031 -0.0013 179 SER A O 764 C CB . SER A 99 ? 0.0753 0.1185 0.1216 -0.0090 0.0148 -0.0111 179 SER A CB 765 O OG . SER A 99 ? 0.1061 0.1085 0.1254 -0.0330 0.0092 -0.0103 179 SER A OG 766 N N . ALA A 100 ? 0.1107 0.0970 0.0724 -0.0273 -0.0024 -0.0209 180 ALA A N 767 C CA . ALA A 100 ? 0.1218 0.0949 0.0617 -0.0368 0.0211 -0.0139 180 ALA A CA 768 C C . ALA A 100 ? 0.1120 0.1259 0.0747 -0.0296 0.0006 -0.0229 180 ALA A C 769 O O . ALA A 100 ? 0.1114 0.1217 0.1290 -0.0258 0.0042 -0.0369 180 ALA A O 770 C CB . ALA A 100 ? 0.1465 0.1048 0.1323 -0.0228 0.0323 0.0169 180 ALA A CB 771 N N . THR A 101 ? 0.1118 0.1350 0.0748 -0.0063 0.0427 0.0095 181 THR A N 772 C CA . THR A 101 ? 0.1165 0.1377 0.0551 -0.0100 0.0388 0.0009 181 THR A CA 773 C C . THR A 101 ? 0.1126 0.1330 0.0886 -0.0035 0.0060 -0.0215 181 THR A C 774 O O . THR A 101 ? 0.1375 0.1389 0.1265 0.0142 -0.0018 -0.0330 181 THR A O 775 C CB . THR A 101 ? 0.1128 0.1252 0.0956 0.0178 0.0409 0.0217 181 THR A CB 776 O OG1 . THR A 101 ? 0.1180 0.1371 0.1229 0.0169 0.0289 -0.0197 181 THR A OG1 777 C CG2 . THR A 101 ? 0.1306 0.1465 0.1498 -0.0066 0.0202 0.0633 181 THR A CG2 778 N N . ALA A 102 ? 0.1380 0.1248 0.0489 -0.0102 -0.0123 -0.0148 182 ALA A N 779 C CA . ALA A 102 ? 0.1508 0.1167 0.0734 -0.0060 0.0229 0.0077 182 ALA A CA 780 C C . ALA A 102 ? 0.1416 0.1143 0.0810 -0.0099 0.0151 -0.0196 182 ALA A C 781 O O . ALA A 102 ? 0.1188 0.1121 0.1075 -0.0146 0.0066 -0.0008 182 ALA A O 782 C CB . ALA A 102 ? 0.1442 0.1344 0.1012 -0.0086 0.0351 0.0076 182 ALA A CB 783 N N . CYS A 103 ? 0.1442 0.1164 0.0772 -0.0251 0.0069 -0.0306 183 CYS A N 784 C CA . CYS A 103 ? 0.1317 0.1335 0.0598 -0.0308 -0.0025 -0.0445 183 CYS A CA 785 C C . CYS A 103 ? 0.1475 0.1655 0.0777 -0.0066 -0.0221 -0.0563 183 CYS A C 786 O O . CYS A 103 ? 0.1688 0.1923 0.1544 0.0052 -0.0259 -0.0759 183 CYS A O 787 C CB . CYS A 103 ? 0.1602 0.1361 0.1421 -0.0203 -0.0040 0.0045 183 CYS A CB 788 S SG . CYS A 103 ? 0.2021 0.1639 0.1574 -0.0252 0.0027 -0.0034 183 CYS A SG 789 N N . HIS A 104 ? 0.1471 0.1583 0.0661 -0.0167 -0.0278 -0.0424 184 HIS A N 790 C CA . HIS A 104 ? 0.1694 0.1654 0.0578 -0.0397 -0.0279 -0.0371 184 HIS A CA 791 C C . HIS A 104 ? 0.1680 0.1840 0.0771 -0.0245 -0.0194 -0.0200 184 HIS A C 792 O O . HIS A 104 ? 0.1909 0.1918 0.1212 -0.0042 0.0093 0.0005 184 HIS A O 793 C CB . HIS A 104 ? 0.1942 0.1849 0.0862 -0.0705 -0.0029 -0.0127 184 HIS A CB 794 C CG . HIS A 104 ? 0.2178 0.1984 0.1062 -0.0767 0.0083 -0.0333 184 HIS A CG 795 N ND1 . HIS A 104 ? 0.2284 0.2117 0.1261 -0.0820 0.0330 -0.0373 184 HIS A ND1 796 C CD2 . HIS A 104 ? 0.2222 0.1990 0.1073 -0.0834 0.0070 -0.0267 184 HIS A CD2 797 C CE1 . HIS A 104 ? 0.2381 0.1981 0.1309 -0.0939 0.0358 -0.0559 184 HIS A CE1 798 N NE2 . HIS A 104 ? 0.2343 0.1966 0.1103 -0.0998 0.0248 -0.0514 184 HIS A NE2 799 N N . ASP A 105 ? 0.1555 0.1805 0.0730 -0.0372 0.0055 -0.0404 185 ASP A N 800 C CA . ASP A 105 ? 0.1776 0.1762 0.0910 -0.0556 0.0253 -0.0313 185 ASP A CA 801 C C . ASP A 105 ? 0.1736 0.1795 0.0977 -0.0722 0.0070 -0.0367 185 ASP A C 802 O O . ASP A 105 ? 0.1781 0.1771 0.1144 -0.0449 0.0203 -0.0517 185 ASP A O 803 C CB . ASP A 105 ? 0.1795 0.1830 0.1409 -0.0276 0.0034 -0.0171 185 ASP A CB 804 C CG . ASP A 105 ? 0.1859 0.1849 0.1218 -0.0325 0.0203 -0.0137 185 ASP A CG 805 O OD1 . ASP A 105 ? 0.1700 0.1936 0.1311 -0.0464 0.0143 -0.0256 185 ASP A OD1 806 O OD2 . ASP A 105 ? 0.2004 0.2109 0.1141 -0.0302 0.0102 -0.0085 185 ASP A OD2 807 N N . GLY A 106 ? 0.1696 0.1735 0.1072 -0.0780 -0.0013 -0.0307 186 GLY A N 808 C CA . GLY A 106 ? 0.1686 0.1925 0.1291 -0.0624 0.0096 -0.0184 186 GLY A CA 809 C C . GLY A 106 ? 0.1795 0.2024 0.1311 -0.0571 0.0089 -0.0413 186 GLY A C 810 O O . GLY A 106 ? 0.1937 0.2139 0.1807 -0.0607 -0.0120 -0.0463 186 GLY A O 811 N N . LYS A 107 ? 0.1776 0.2031 0.1355 -0.0450 0.0062 -0.0480 187 LYS A N 812 C CA . LYS A 107 ? 0.1802 0.2171 0.1150 -0.0635 -0.0024 -0.0363 187 LYS A CA 813 C C . LYS A 107 ? 0.1857 0.2365 0.1270 -0.0727 0.0221 -0.0504 187 LYS A C 814 O O . LYS A 107 ? 0.1946 0.2629 0.1713 -0.0867 0.0491 -0.0540 187 LYS A O 815 C CB . LYS A 107 ? 0.2099 0.2365 0.1035 -0.0454 -0.0112 -0.0152 187 LYS A CB 816 C CG . LYS A 107 ? 0.2253 0.2448 0.0740 -0.0267 -0.0024 0.0132 187 LYS A CG 817 C CD . LYS A 107 ? 0.2460 0.2625 0.1052 -0.0335 -0.0078 0.0144 187 LYS A CD 818 C CE . LYS A 107 ? 0.2631 0.2690 0.0916 -0.0479 -0.0212 0.0111 187 LYS A CE 819 N NZ . LYS A 107 ? 0.2606 0.2636 0.1499 -0.0596 -0.0223 0.0111 187 LYS A NZ 820 N N . LYS A 108 ? 0.1716 0.2271 0.1106 -0.0640 -0.0148 -0.0703 188 LYS A N 821 C CA . LYS A 108 ? 0.1572 0.2307 0.1149 -0.0455 0.0011 -0.0420 188 LYS A CA 822 C C . LYS A 108 ? 0.1325 0.2108 0.0891 -0.0494 0.0240 -0.0459 188 LYS A C 823 O O . LYS A 108 ? 0.1341 0.2225 0.1300 -0.0450 0.0147 -0.0263 188 LYS A O 824 C CB . LYS A 108 ? 0.1876 0.2359 0.1246 -0.0477 -0.0123 -0.0305 188 LYS A CB 825 C CG . LYS A 108 ? 0.1925 0.2668 0.1293 -0.0710 -0.0244 -0.0333 188 LYS A CG 826 C CD . LYS A 108 ? 0.2340 0.3185 0.2487 -0.0668 -0.0407 -0.0407 188 LYS A CD 827 C CE . LYS A 108 ? 0.2617 0.3567 0.3533 -0.0780 -0.0479 -0.0383 188 LYS A CE 828 N NZ . LYS A 108 ? 0.2969 0.3911 0.4437 -0.0728 -0.0554 -0.0281 188 LYS A NZ 829 N N . TRP A 109 ? 0.1391 0.1760 0.0887 -0.0169 -0.0047 -0.0303 189 TRP A N 830 C CA . TRP A 109 ? 0.1508 0.1582 0.1109 -0.0051 -0.0116 -0.0059 189 TRP A CA 831 C C . TRP A 109 ? 0.1550 0.1555 0.1046 0.0051 -0.0246 -0.0059 189 TRP A C 832 O O . TRP A 109 ? 0.1529 0.1731 0.1362 -0.0015 -0.0231 -0.0113 189 TRP A O 833 C CB . TRP A 109 ? 0.1418 0.1701 0.1056 -0.0008 0.0412 0.0069 189 TRP A CB 834 C CG . TRP A 109 ? 0.1632 0.1666 0.1183 0.0083 0.0293 -0.0045 189 TRP A CG 835 C CD1 . TRP A 109 ? 0.1820 0.1709 0.1433 -0.0009 0.0416 0.0203 189 TRP A CD1 836 C CD2 . TRP A 109 ? 0.1709 0.2056 0.1228 0.0163 0.0088 -0.0140 189 TRP A CD2 837 N NE1 . TRP A 109 ? 0.1961 0.1936 0.1394 0.0133 0.0522 0.0165 189 TRP A NE1 838 C CE2 . TRP A 109 ? 0.1906 0.2297 0.1375 0.0238 0.0209 0.0262 189 TRP A CE2 839 C CE3 . TRP A 109 ? 0.1950 0.2344 0.1343 0.0238 0.0236 -0.0030 189 TRP A CE3 840 C CZ2 . TRP A 109 ? 0.2195 0.2499 0.1282 0.0446 0.0104 0.0166 189 TRP A CZ2 841 C CZ3 . TRP A 109 ? 0.2105 0.2576 0.1199 0.0324 0.0219 0.0137 189 TRP A CZ3 842 C CH2 . TRP A 109 ? 0.2152 0.2556 0.1397 0.0513 0.0230 0.0176 189 TRP A CH2 843 N N . LEU A 110 ? 0.1558 0.1447 0.1199 -0.0111 0.0028 -0.0244 190 LEU A N 844 C CA . LEU A 110 ? 0.1463 0.1391 0.0741 -0.0174 0.0066 -0.0278 190 LEU A CA 845 C C . LEU A 110 ? 0.1605 0.1392 0.0950 -0.0135 -0.0093 -0.0268 190 LEU A C 846 O O . LEU A 110 ? 0.1746 0.1490 0.1120 0.0125 -0.0019 -0.0151 190 LEU A O 847 C CB . LEU A 110 ? 0.1503 0.1519 0.1381 -0.0210 0.0139 -0.0087 190 LEU A CB 848 C CG . LEU A 110 ? 0.1544 0.1530 0.1718 -0.0089 0.0268 0.0126 190 LEU A CG 849 C CD1 . LEU A 110 ? 0.1838 0.1688 0.1676 0.0120 -0.0211 0.0085 190 LEU A CD1 850 C CD2 . LEU A 110 ? 0.1751 0.1606 0.2275 -0.0129 0.0292 0.0259 190 LEU A CD2 851 N N . ALA A 111 ? 0.1792 0.1398 0.0805 -0.0219 -0.0065 -0.0320 191 ALA A N 852 C CA . ALA A 111 ? 0.1862 0.1417 0.1186 -0.0281 -0.0120 -0.0453 191 ALA A CA 853 C C . ALA A 111 ? 0.1819 0.1415 0.1556 -0.0125 -0.0145 -0.0469 191 ALA A C 854 O O . ALA A 111 ? 0.1842 0.1702 0.2017 0.0008 -0.0572 -0.0477 191 ALA A O 855 C CB . ALA A 111 ? 0.2045 0.1759 0.1262 -0.0143 -0.0009 -0.0121 191 ALA A CB 856 N N . VAL A 112 ? 0.1808 0.1387 0.1147 0.0058 -0.0016 -0.0395 192 VAL A N 857 C CA . VAL A 112 ? 0.1694 0.1429 0.1166 0.0022 0.0124 -0.0253 192 VAL A CA 858 C C . VAL A 112 ? 0.1328 0.1418 0.0782 -0.0121 0.0097 -0.0164 192 VAL A C 859 O O . VAL A 112 ? 0.1366 0.1715 0.1090 0.0217 -0.0309 -0.0024 192 VAL A O 860 C CB . VAL A 112 ? 0.1812 0.1392 0.0871 -0.0109 0.0099 -0.0231 192 VAL A CB 861 C CG1 . VAL A 112 ? 0.1875 0.1187 0.1594 -0.0133 0.0122 -0.0125 192 VAL A CG1 862 C CG2 . VAL A 112 ? 0.2036 0.1728 0.1069 0.0040 0.0131 -0.0231 192 VAL A CG2 863 N N . GLY A 113 ? 0.1355 0.1241 0.0607 -0.0143 0.0351 -0.0133 193 GLY A N 864 C CA . GLY A 113 ? 0.1342 0.1222 0.0968 -0.0276 0.0262 -0.0237 193 GLY A CA 865 C C . GLY A 113 ? 0.1289 0.0999 0.0979 -0.0248 0.0094 -0.0128 193 GLY A C 866 O O . GLY A 113 ? 0.1237 0.0900 0.1145 -0.0080 0.0066 0.0019 193 GLY A O 867 N N . ILE A 114 ? 0.1367 0.1032 0.0957 -0.0263 0.0161 -0.0168 194 ILE A N 868 C CA . ILE A 114 ? 0.1229 0.0957 0.1156 -0.0255 0.0163 -0.0162 194 ILE A CA 869 C C . ILE A 114 ? 0.1125 0.0990 0.1114 -0.0275 0.0212 -0.0110 194 ILE A C 870 O O . ILE A 114 ? 0.1248 0.1124 0.1216 -0.0365 0.0156 0.0092 194 ILE A O 871 C CB . ILE A 114 ? 0.1167 0.1195 0.1248 -0.0292 0.0211 -0.0551 194 ILE A CB 872 C CG1 . ILE A 114 ? 0.1192 0.1672 0.1257 -0.0283 -0.0085 -0.0188 194 ILE A CG1 873 C CG2 . ILE A 114 ? 0.1194 0.1158 0.1448 -0.0426 -0.0198 -0.0578 194 ILE A CG2 874 C CD1 . ILE A 114 ? 0.1078 0.1754 0.1229 -0.0321 0.0065 -0.0138 194 ILE A CD1 875 N N . SER A 115 ? 0.1071 0.1217 0.1089 -0.0200 0.0137 -0.0086 195 SER A N 876 C CA . SER A 115 ? 0.1183 0.1257 0.1063 -0.0187 0.0345 -0.0122 195 SER A CA 877 C C . SER A 115 ? 0.1456 0.1203 0.1111 -0.0188 0.0122 0.0033 195 SER A C 878 O O . SER A 115 ? 0.1488 0.1054 0.1245 -0.0217 0.0113 -0.0003 195 SER A O 879 C CB . SER A 115 ? 0.1161 0.1395 0.1055 -0.0324 0.0399 -0.0055 195 SER A CB 880 O OG . SER A 115 ? 0.1334 0.1367 0.1290 -0.0252 0.0114 0.0031 195 SER A OG 881 N N . GLY A 116 ? 0.1412 0.1143 0.1551 -0.0018 0.0172 -0.0107 196 GLY A N 882 C CA . GLY A 116 ? 0.1351 0.1280 0.1392 -0.0083 0.0218 -0.0243 196 GLY A CA 883 C C . GLY A 116 ? 0.1355 0.1426 0.1308 -0.0045 0.0130 -0.0426 196 GLY A C 884 O O . GLY A 116 ? 0.1407 0.1484 0.1491 -0.0071 0.0036 -0.0462 196 GLY A O 885 N N . ALA A 117 ? 0.1292 0.1409 0.1668 -0.0077 0.0226 -0.0606 197 ALA A N 886 C CA . ALA A 117 ? 0.1314 0.1337 0.1797 -0.0041 0.0156 -0.0604 197 ALA A CA 887 C C . ALA A 117 ? 0.1379 0.1643 0.1654 -0.0077 -0.0066 -0.0484 197 ALA A C 888 O O . ALA A 117 ? 0.1575 0.1685 0.1474 -0.0218 -0.0043 -0.0295 197 ALA A O 889 C CB . ALA A 117 ? 0.1357 0.1168 0.2141 -0.0071 0.0313 -0.0543 197 ALA A CB 890 N N . ASP A 118 ? 0.1182 0.1629 0.1551 -0.0101 -0.0155 -0.0474 198 ASP A N 891 C CA . ASP A 118 ? 0.1469 0.1724 0.1551 -0.0219 -0.0314 -0.0265 198 ASP A CA 892 C C . ASP A 118 ? 0.1652 0.1553 0.1747 -0.0110 -0.0163 -0.0446 198 ASP A C 893 O O . ASP A 118 ? 0.1725 0.1704 0.1870 -0.0116 -0.0170 -0.0462 198 ASP A O 894 C CB . ASP A 118 ? 0.1756 0.1897 0.1468 -0.0139 -0.0320 -0.0393 198 ASP A CB 895 C CG . ASP A 118 ? 0.2066 0.2070 0.1636 0.0037 -0.0387 -0.0568 198 ASP A CG 896 O OD1 . ASP A 118 ? 0.2029 0.1984 0.2107 0.0074 -0.0267 -0.0457 198 ASP A OD1 897 O OD2 . ASP A 118 ? 0.2319 0.2385 0.2035 0.0230 -0.0215 -0.0424 198 ASP A OD2 898 N N . ASP A 119 ? 0.2020 0.1118 0.1898 -0.0181 -0.0281 -0.0418 199 ASP A N 899 C CA . ASP A 119 ? 0.2165 0.1087 0.2246 -0.0146 -0.0034 -0.0659 199 ASP A CA 900 C C . ASP A 119 ? 0.2086 0.1075 0.2073 -0.0185 -0.0129 -0.0540 199 ASP A C 901 O O . ASP A 119 ? 0.2140 0.1119 0.2393 -0.0266 -0.0226 -0.0140 199 ASP A O 902 C CB . ASP A 119 ? 0.2381 0.1434 0.2317 -0.0046 -0.0050 -0.0982 199 ASP A CB 903 C CG . ASP A 119 ? 0.2749 0.1801 0.2982 0.0084 0.0059 -0.1089 199 ASP A CG 904 O OD1 . ASP A 119 ? 0.2774 0.2052 0.3317 -0.0040 0.0150 -0.0747 199 ASP A OD1 905 O OD2 . ASP A 119 ? 0.2861 0.1977 0.3347 0.0232 0.0123 -0.1154 199 ASP A OD2 906 N N . ASP A 120 ? 0.1840 0.1169 0.1799 0.0055 -0.0288 -0.0402 200 ASP A N 907 C CA . ASP A 120 ? 0.1802 0.1134 0.2402 -0.0027 -0.0580 -0.0352 200 ASP A CA 908 C C . ASP A 120 ? 0.1623 0.1310 0.1673 0.0005 -0.0391 -0.0064 200 ASP A C 909 O O . ASP A 120 ? 0.1660 0.1331 0.2183 -0.0109 -0.0313 -0.0276 200 ASP A O 910 C CB . ASP A 120 ? 0.2084 0.1390 0.3167 0.0019 -0.0682 -0.0107 200 ASP A CB 911 C CG . ASP A 120 ? 0.2514 0.1653 0.3780 0.0003 -0.0700 -0.0130 200 ASP A CG 912 O OD1 . ASP A 120 ? 0.2861 0.1633 0.4018 -0.0164 -0.0842 0.0210 200 ASP A OD1 913 O OD2 . ASP A 120 ? 0.2777 0.2014 0.4079 0.0123 -0.0833 -0.0121 200 ASP A OD2 914 N N . ALA A 121 ? 0.1450 0.1200 0.1469 0.0032 0.0043 -0.0216 201 ALA A N 915 C CA . ALA A 121 ? 0.1375 0.1008 0.1423 0.0059 -0.0257 -0.0167 201 ALA A CA 916 C C . ALA A 121 ? 0.1415 0.1098 0.1394 -0.0307 0.0143 -0.0101 201 ALA A C 917 O O . ALA A 121 ? 0.1505 0.1243 0.1323 -0.0268 0.0163 -0.0228 201 ALA A O 918 C CB . ALA A 121 ? 0.1133 0.0961 0.1676 0.0146 -0.0293 -0.0014 201 ALA A CB 919 N N . TYR A 122 ? 0.1327 0.1135 0.1295 -0.0304 0.0147 -0.0123 202 TYR A N 920 C CA . TYR A 122 ? 0.1292 0.1102 0.0795 -0.0092 -0.0038 0.0051 202 TYR A CA 921 C C . TYR A 122 ? 0.1351 0.1026 0.1260 -0.0238 0.0088 0.0196 202 TYR A C 922 O O . TYR A 122 ? 0.1529 0.1105 0.1220 -0.0232 -0.0004 0.0266 202 TYR A O 923 C CB . TYR A 122 ? 0.1113 0.1257 0.1473 -0.0200 -0.0193 0.0153 202 TYR A CB 924 C CG . TYR A 122 ? 0.1152 0.1185 0.1258 -0.0147 -0.0149 -0.0106 202 TYR A CG 925 C CD1 . TYR A 122 ? 0.1103 0.1364 0.1474 -0.0213 0.0010 -0.0242 202 TYR A CD1 926 C CD2 . TYR A 122 ? 0.1089 0.1324 0.1247 0.0019 -0.0029 0.0135 202 TYR A CD2 927 C CE1 . TYR A 122 ? 0.1275 0.1402 0.1932 -0.0084 0.0067 -0.0434 202 TYR A CE1 928 C CE2 . TYR A 122 ? 0.1183 0.1396 0.1753 -0.0031 -0.0166 0.0063 202 TYR A CE2 929 C CZ . TYR A 122 ? 0.1260 0.1301 0.1862 -0.0137 -0.0089 -0.0125 202 TYR A CZ 930 O OH . TYR A 122 ? 0.1344 0.1275 0.1852 -0.0356 -0.0091 -0.0199 202 TYR A OH 931 N N . ALA A 123 ? 0.1322 0.1113 0.1427 -0.0187 0.0057 -0.0168 203 ALA A N 932 C CA . ALA A 123 ? 0.1106 0.1163 0.1553 -0.0046 -0.0065 -0.0231 203 ALA A CA 933 C C . ALA A 123 ? 0.1039 0.1254 0.0913 -0.0030 0.0041 0.0218 203 ALA A C 934 O O . ALA A 123 ? 0.1191 0.1308 0.1211 -0.0087 -0.0080 0.0380 203 ALA A O 935 C CB . ALA A 123 ? 0.1016 0.1276 0.1424 0.0066 0.0056 -0.0133 203 ALA A CB 936 N N . VAL A 124 ? 0.0722 0.1131 0.1325 -0.0308 -0.0094 -0.0404 204 VAL A N 937 C CA . VAL A 124 ? 0.0955 0.1036 0.0964 -0.0181 -0.0048 -0.0213 204 VAL A CA 938 C C . VAL A 124 ? 0.1211 0.0899 0.1050 0.0117 -0.0253 0.0052 204 VAL A C 939 O O . VAL A 124 ? 0.1250 0.0934 0.1177 0.0328 -0.0265 0.0026 204 VAL A O 940 C CB . VAL A 124 ? 0.1119 0.1038 0.1257 -0.0116 0.0149 -0.0177 204 VAL A CB 941 C CG1 . VAL A 124 ? 0.1099 0.1334 0.1271 -0.0074 0.0042 0.0141 204 VAL A CG1 942 C CG2 . VAL A 124 ? 0.1196 0.0777 0.1524 -0.0034 0.0220 0.0053 204 VAL A CG2 943 N N . ILE A 125 ? 0.1194 0.1102 0.0852 -0.0026 -0.0030 -0.0311 205 ILE A N 944 C CA . ILE A 125 ? 0.1407 0.1205 0.0931 -0.0113 0.0002 -0.0063 205 ILE A CA 945 C C . ILE A 125 ? 0.1394 0.1297 0.1037 -0.0084 -0.0294 -0.0144 205 ILE A C 946 O O . ILE A 125 ? 0.1755 0.1269 0.1473 -0.0048 -0.0415 -0.0118 205 ILE A O 947 C CB . ILE A 125 ? 0.1816 0.1411 0.1418 -0.0148 0.0253 -0.0125 205 ILE A CB 948 C CG1 . ILE A 125 ? 0.2054 0.1879 0.2054 -0.0388 0.0413 0.0124 205 ILE A CG1 949 C CG2 . ILE A 125 ? 0.2086 0.1327 0.1167 0.0294 0.0194 -0.0135 205 ILE A CG2 950 C CD1 . ILE A 125 ? 0.2149 0.1951 0.2383 -0.0587 0.0194 0.0343 205 ILE A CD1 951 N N . HIS A 126 ? 0.1299 0.1067 0.1259 -0.0309 -0.0089 -0.0161 206 HIS A N 952 C CA . HIS A 126 ? 0.1388 0.1159 0.0895 -0.0194 0.0153 -0.0131 206 HIS A CA 953 C C . HIS A 126 ? 0.1570 0.1461 0.0986 -0.0030 -0.0001 -0.0080 206 HIS A C 954 O O . HIS A 126 ? 0.1645 0.1593 0.1441 0.0051 -0.0147 -0.0488 206 HIS A O 955 C CB . HIS A 126 ? 0.1603 0.1244 0.0769 -0.0151 0.0397 0.0148 206 HIS A CB 956 C CG . HIS A 126 ? 0.1626 0.1144 0.1024 -0.0105 0.0020 -0.0330 206 HIS A CG 957 N ND1 . HIS A 126 ? 0.1769 0.1511 0.1191 0.0070 0.0330 0.0012 206 HIS A ND1 958 C CD2 . HIS A 126 ? 0.1512 0.1100 0.0630 0.0033 0.0213 -0.0291 206 HIS A CD2 959 C CE1 . HIS A 126 ? 0.1137 0.1192 0.1074 -0.0028 0.0011 0.0077 206 HIS A CE1 960 N NE2 . HIS A 126 ? 0.1764 0.1419 0.1488 0.0147 0.0100 -0.0043 206 HIS A NE2 961 N N . TYR A 127 ? 0.1590 0.1364 0.0697 -0.0155 -0.0046 0.0150 207 TYR A N 962 C CA . TYR A 127 ? 0.1650 0.1573 0.0830 -0.0173 -0.0046 -0.0057 207 TYR A CA 963 C C . TYR A 127 ? 0.1747 0.1835 0.1139 -0.0317 0.0020 -0.0046 207 TYR A C 964 O O . TYR A 127 ? 0.1689 0.2127 0.1279 -0.0194 0.0024 -0.0285 207 TYR A O 965 C CB . TYR A 127 ? 0.1652 0.1736 0.0966 -0.0118 -0.0018 -0.0222 207 TYR A CB 966 C CG . TYR A 127 ? 0.1634 0.1863 0.0746 -0.0148 0.0111 -0.0324 207 TYR A CG 967 C CD1 . TYR A 127 ? 0.1591 0.1871 0.0998 -0.0098 0.0342 -0.0150 207 TYR A CD1 968 C CD2 . TYR A 127 ? 0.1610 0.1917 0.0801 -0.0078 0.0037 -0.0380 207 TYR A CD2 969 C CE1 . TYR A 127 ? 0.1690 0.1930 0.0656 -0.0130 0.0148 -0.0036 207 TYR A CE1 970 C CE2 . TYR A 127 ? 0.1575 0.1972 0.1114 -0.0099 0.0068 -0.0111 207 TYR A CE2 971 C CZ . TYR A 127 ? 0.1661 0.1962 0.0734 -0.0218 0.0132 -0.0140 207 TYR A CZ 972 O OH . TYR A 127 ? 0.1704 0.2186 0.1107 -0.0287 0.0092 -0.0305 207 TYR A OH 973 N N . GLY A 128 ? 0.1620 0.1692 0.1093 -0.0735 0.0016 -0.0079 208 GLY A N 974 C CA . GLY A 128 ? 0.1446 0.2130 0.1535 -0.0657 0.0174 -0.0117 208 GLY A CA 975 C C . GLY A 128 ? 0.1463 0.2379 0.1732 -0.0460 -0.0104 -0.0003 208 GLY A C 976 O O . GLY A 128 ? 0.1533 0.2603 0.2276 -0.0354 0.0018 -0.0080 208 GLY A O 977 N N . GLY A 129 ? 0.1485 0.2365 0.1497 -0.0411 0.0317 0.0131 209 GLY A N 978 C CA . GLY A 129 ? 0.1409 0.2496 0.1747 -0.0074 0.0248 0.0153 209 GLY A CA 979 C C . GLY A 129 ? 0.1530 0.2657 0.1848 0.0113 0.0102 -0.0013 209 GLY A C 980 O O . GLY A 129 ? 0.1685 0.2955 0.2079 0.0407 0.0286 -0.0065 209 GLY A O 981 N N . MET A 130 ? 0.1487 0.2407 0.2104 -0.0076 -0.0470 -0.0017 210 MET A N 982 C CA . MET A 130 ? 0.1673 0.2544 0.2040 -0.0071 -0.0547 -0.0012 210 MET A CA 983 C C . MET A 130 ? 0.1726 0.2403 0.1914 0.0112 0.0121 0.0022 210 MET A C 984 O O . MET A 130 ? 0.1583 0.2399 0.1733 0.0075 0.0048 0.0005 210 MET A O 985 C CB . MET A 130 ? 0.2094 0.2784 0.2505 -0.0278 -0.0542 -0.0024 210 MET A CB 986 C CG . MET A 130 ? 0.2264 0.2919 0.2702 -0.0405 0.0040 0.0085 210 MET A CG 987 S SD . MET A 130 ? 0.2301 0.2953 0.3036 -0.0398 0.0231 0.0167 210 MET A SD 988 C CE . MET A 130 ? 0.2715 0.3135 0.4080 -0.0334 0.0462 -0.0052 210 MET A CE 989 N N . PRO A 131 ? 0.1622 0.2421 0.1744 0.0123 0.0450 0.0099 211 PRO A N 990 C CA . PRO A 131 ? 0.1550 0.2348 0.1624 0.0241 0.0604 0.0285 211 PRO A CA 991 C C . PRO A 131 ? 0.1421 0.2420 0.1555 0.0193 0.0180 0.0404 211 PRO A C 992 O O . PRO A 131 ? 0.1574 0.2926 0.2455 0.0301 -0.0007 0.0539 211 PRO A O 993 C CB . PRO A 131 ? 0.1529 0.2522 0.1945 0.0323 0.0772 -0.0085 211 PRO A CB 994 C CG . PRO A 131 ? 0.1510 0.2528 0.2167 0.0235 0.0461 -0.0178 211 PRO A CG 995 C CD . PRO A 131 ? 0.1575 0.2507 0.2309 0.0139 0.0604 -0.0034 211 PRO A CD 996 N N . THR A 132 ? 0.1239 0.1961 0.1402 -0.0007 0.0027 0.0098 212 THR A N 997 C CA . THR A 132 ? 0.1362 0.1795 0.1505 0.0001 -0.0249 -0.0215 212 THR A CA 998 C C . THR A 132 ? 0.1307 0.1714 0.1320 0.0015 -0.0508 -0.0054 212 THR A C 999 O O . THR A 132 ? 0.1664 0.1825 0.1663 0.0021 -0.0410 0.0498 212 THR A O 1000 C CB . THR A 132 ? 0.1453 0.1897 0.1561 0.0013 -0.0266 -0.0375 212 THR A CB 1001 O OG1 . THR A 132 ? 0.1588 0.2061 0.1674 0.0215 0.0049 -0.0081 212 THR A OG1 1002 C CG2 . THR A 132 ? 0.1698 0.1994 0.1553 -0.0105 -0.0515 -0.0795 212 THR A CG2 1003 N N . ASP A 133 ? 0.1415 0.1553 0.1109 -0.0040 -0.0239 -0.0033 213 ASP A N 1004 C CA . ASP A 133 ? 0.1464 0.1578 0.1164 0.0057 -0.0150 0.0114 213 ASP A CA 1005 C C . ASP A 133 ? 0.1478 0.1448 0.0976 0.0031 -0.0061 0.0028 213 ASP A C 1006 O O . ASP A 133 ? 0.1604 0.1441 0.1040 -0.0003 -0.0078 0.0047 213 ASP A O 1007 C CB . ASP A 133 ? 0.1714 0.1804 0.1463 0.0049 0.0092 0.0310 213 ASP A CB 1008 C CG . ASP A 133 ? 0.1733 0.1949 0.1469 0.0149 0.0101 -0.0064 213 ASP A CG 1009 O OD1 . ASP A 133 ? 0.1931 0.2069 0.1515 0.0004 0.0130 0.0017 213 ASP A OD1 1010 O OD2 . ASP A 133 ? 0.1882 0.1963 0.1754 0.0193 0.0275 0.0100 213 ASP A OD2 1011 N N . VAL A 134 ? 0.1539 0.1580 0.1350 -0.0056 -0.0366 -0.0159 214 VAL A N 1012 C CA . VAL A 134 ? 0.1635 0.1628 0.1499 -0.0359 -0.0019 0.0202 214 VAL A CA 1013 C C . VAL A 134 ? 0.1699 0.1778 0.1502 -0.0492 -0.0016 0.0203 214 VAL A C 1014 O O . VAL A 134 ? 0.1971 0.2220 0.1683 -0.0753 -0.0094 0.0380 214 VAL A O 1015 C CB . VAL A 134 ? 0.1854 0.1802 0.1752 -0.0477 0.0092 0.0254 214 VAL A CB 1016 C CG1 . VAL A 134 ? 0.1864 0.1777 0.2068 -0.0566 -0.0140 0.0003 214 VAL A CG1 1017 C CG2 . VAL A 134 ? 0.2024 0.2184 0.2422 -0.0229 -0.0094 0.0167 214 VAL A CG2 1018 N N . VAL A 135 ? 0.1378 0.1482 0.1443 -0.0487 -0.0066 -0.0047 215 VAL A N 1019 C CA . VAL A 135 ? 0.1484 0.1484 0.1499 -0.0475 0.0261 -0.0350 215 VAL A CA 1020 C C . VAL A 135 ? 0.1479 0.1348 0.1340 -0.0317 0.0115 0.0000 215 VAL A C 1021 O O . VAL A 135 ? 0.1685 0.1328 0.1446 -0.0270 0.0169 0.0018 215 VAL A O 1022 C CB . VAL A 135 ? 0.1556 0.1694 0.1518 -0.0445 0.0441 -0.0471 215 VAL A CB 1023 C CG1 . VAL A 135 ? 0.1514 0.1931 0.1917 -0.0515 0.0407 -0.0327 215 VAL A CG1 1024 C CG2 . VAL A 135 ? 0.1933 0.2146 0.1940 -0.0285 0.0587 -0.0727 215 VAL A CG2 1025 N N . ARG A 136 ? 0.1520 0.1283 0.1578 -0.0291 0.0093 -0.0141 216 ARG A N 1026 C CA . ARG A 136 ? 0.1564 0.1372 0.1689 0.0005 -0.0228 -0.0045 216 ARG A CA 1027 C C . ARG A 136 ? 0.1581 0.1511 0.1540 -0.0033 -0.0182 -0.0096 216 ARG A C 1028 O O . ARG A 136 ? 0.1875 0.1706 0.1694 0.0008 -0.0157 -0.0143 216 ARG A O 1029 C CB . ARG A 136 ? 0.1800 0.1583 0.2314 0.0204 -0.0435 0.0144 216 ARG A CB 1030 C CG . ARG A 136 ? 0.2179 0.2066 0.2836 0.0200 -0.0596 0.0033 216 ARG A CG 1031 C CD . ARG A 136 ? 0.2411 0.2346 0.3008 0.0116 -0.0468 -0.0161 216 ARG A CD 1032 N NE . ARG A 136 ? 0.2566 0.2529 0.2567 -0.0010 -0.0066 0.0296 216 ARG A NE 1033 C CZ . ARG A 136 ? 0.2965 0.2798 0.3008 0.0061 -0.0421 0.0760 216 ARG A CZ 1034 N NH1 . ARG A 136 ? 0.3082 0.3053 0.3591 0.0222 -0.0618 0.0711 216 ARG A NH1 1035 N NH2 . ARG A 136 ? 0.3173 0.2934 0.3514 -0.0074 -0.0699 0.0849 216 ARG A NH2 1036 N N . SER A 137 ? 0.1575 0.1492 0.1528 -0.0019 -0.0503 0.0078 217 SER A N 1037 C CA . SER A 137 ? 0.1534 0.1262 0.0982 -0.0059 -0.0404 0.0127 217 SER A CA 1038 C C . SER A 137 ? 0.1675 0.1361 0.1697 0.0066 -0.0087 0.0210 217 SER A C 1039 O O . SER A 137 ? 0.1705 0.1415 0.2551 0.0133 0.0122 0.0032 217 SER A O 1040 C CB . SER A 137 ? 0.1498 0.1537 0.1374 -0.0332 -0.0162 -0.0132 217 SER A CB 1041 O OG . SER A 137 ? 0.1405 0.1559 0.1400 -0.0555 -0.0095 -0.0186 217 SER A OG 1042 N N . TRP A 138 ? 0.1808 0.1349 0.1428 -0.0039 -0.0209 0.0370 218 TRP A N 1043 C CA . TRP A 138 ? 0.1847 0.1291 0.1482 0.0031 -0.0198 0.0203 218 TRP A CA 1044 C C . TRP A 138 ? 0.1972 0.1166 0.1719 -0.0181 -0.0177 0.0253 218 TRP A C 1045 O O . TRP A 138 ? 0.2303 0.1167 0.2507 -0.0339 -0.0425 -0.0103 218 TRP A O 1046 C CB . TRP A 138 ? 0.1696 0.1422 0.1635 0.0244 -0.0171 0.0278 218 TRP A CB 1047 C CG . TRP A 138 ? 0.1652 0.1526 0.1766 0.0035 -0.0175 -0.0037 218 TRP A CG 1048 C CD1 . TRP A 138 ? 0.1715 0.1576 0.1990 -0.0084 -0.0236 -0.0058 218 TRP A CD1 1049 C CD2 . TRP A 138 ? 0.1736 0.1575 0.1591 -0.0417 -0.0026 0.0186 218 TRP A CD2 1050 N NE1 . TRP A 138 ? 0.1861 0.1454 0.2002 -0.0159 -0.0395 -0.0273 218 TRP A NE1 1051 C CE2 . TRP A 138 ? 0.1815 0.1540 0.1751 -0.0357 -0.0130 0.0066 218 TRP A CE2 1052 C CE3 . TRP A 138 ? 0.1996 0.1620 0.1744 -0.0416 0.0190 0.0219 218 TRP A CE3 1053 C CZ2 . TRP A 138 ? 0.1801 0.1672 0.1672 -0.0457 -0.0006 -0.0002 218 TRP A CZ2 1054 C CZ3 . TRP A 138 ? 0.1848 0.1721 0.1617 -0.0482 0.0433 0.0044 218 TRP A CZ3 1055 C CH2 . TRP A 138 ? 0.1822 0.1790 0.1436 -0.0600 0.0361 0.0181 218 TRP A CH2 1056 N N . ARG A 139 ? 0.1887 0.1410 0.1655 -0.0178 0.0281 -0.0065 219 ARG A N 1057 C CA . ARG A 139 ? 0.1790 0.1457 0.1993 0.0021 0.0165 -0.0472 219 ARG A CA 1058 C C . ARG A 139 ? 0.1859 0.1415 0.1874 -0.0143 -0.0048 -0.0377 219 ARG A C 1059 O O . ARG A 139 ? 0.1927 0.1487 0.2020 -0.0343 -0.0179 -0.0375 219 ARG A O 1060 C CB . ARG A 139 ? 0.1981 0.1716 0.2328 0.0074 -0.0051 -0.0475 219 ARG A CB 1061 C CG . ARG A 139 ? 0.2274 0.2033 0.2749 -0.0091 0.0116 -0.0406 219 ARG A CG 1062 C CD . ARG A 139 ? 0.2735 0.2450 0.3467 -0.0065 0.0572 -0.0111 219 ARG A CD 1063 N NE . ARG A 139 ? 0.3315 0.2897 0.4473 -0.0242 0.0441 -0.0040 219 ARG A NE 1064 C CZ . ARG A 139 ? 0.3761 0.3192 0.4820 -0.0352 0.0327 -0.0100 219 ARG A CZ 1065 N NH1 . ARG A 139 ? 0.3975 0.3307 0.4802 -0.0331 0.0298 -0.0280 219 ARG A NH1 1066 N NH2 . ARG A 139 ? 0.3908 0.3238 0.4979 -0.0536 0.0322 -0.0071 219 ARG A NH2 1067 N N . LYS A 140 ? 0.1594 0.1317 0.1815 0.0017 0.0075 -0.0020 220 LYS A N 1068 C CA . LYS A 140 ? 0.1742 0.1250 0.1731 -0.0066 -0.0117 -0.0307 220 LYS A CA 1069 C C . LYS A 140 ? 0.1647 0.1337 0.2016 -0.0224 -0.0071 -0.0375 220 LYS A C 1070 O O . LYS A 140 ? 0.1621 0.1516 0.2113 -0.0356 -0.0199 -0.0479 220 LYS A O 1071 C CB . LYS A 140 ? 0.2119 0.1191 0.2288 -0.0278 -0.0340 -0.0459 220 LYS A CB 1072 C CG . LYS A 140 ? 0.2302 0.1211 0.2577 -0.0107 -0.0513 -0.0292 220 LYS A CG 1073 C CD . LYS A 140 ? 0.2447 0.1618 0.2282 -0.0099 -0.0501 -0.0151 220 LYS A CD 1074 C CE . LYS A 140 ? 0.2620 0.1949 0.3125 -0.0147 -0.0651 -0.0250 220 LYS A CE 1075 N NZ . LYS A 140 ? 0.2808 0.2113 0.3201 -0.0196 -0.0360 -0.0316 220 LYS A NZ 1076 N N . GLN A 141 ? 0.1486 0.1236 0.1827 -0.0220 -0.0211 -0.0239 221 GLN A N 1077 C CA . GLN A 141 ? 0.1773 0.1510 0.1667 -0.0427 -0.0303 -0.0467 221 GLN A CA 1078 C C . GLN A 141 ? 0.1702 0.1452 0.1283 -0.0150 0.0108 -0.0324 221 GLN A C 1079 O O . GLN A 141 ? 0.1413 0.1406 0.1754 -0.0082 0.0280 -0.0166 221 GLN A O 1080 C CB . GLN A 141 ? 0.2018 0.1703 0.2747 -0.1054 -0.0677 -0.0586 221 GLN A CB 1081 C CG . GLN A 141 ? 0.2378 0.2671 0.3631 -0.1091 -0.0846 -0.0431 221 GLN A CG 1082 C CD . GLN A 141 ? 0.2537 0.3234 0.3897 -0.1354 -0.1038 -0.0650 221 GLN A CD 1083 O OE1 . GLN A 141 ? 0.2799 0.3544 0.3805 -0.1832 -0.0576 -0.0387 221 GLN A OE1 1084 N NE2 . GLN A 141 ? 0.2326 0.3543 0.3392 -0.0886 -0.1488 -0.0949 221 GLN A NE2 1085 N N . ILE A 142 ? 0.1534 0.1311 0.1241 -0.0355 0.0013 -0.0394 222 ILE A N 1086 C CA . ILE A 142 ? 0.1510 0.1248 0.1169 -0.0211 -0.0234 -0.0359 222 ILE A CA 1087 C C . ILE A 142 ? 0.1375 0.1221 0.1517 -0.0163 -0.0353 -0.0093 222 ILE A C 1088 O O . ILE A 142 ? 0.1357 0.1276 0.1698 -0.0120 -0.0220 -0.0195 222 ILE A O 1089 C CB . ILE A 142 ? 0.1731 0.1329 0.1190 -0.0396 -0.0085 -0.0513 222 ILE A CB 1090 C CG1 . ILE A 142 ? 0.1876 0.1899 0.1423 0.0040 -0.0145 -0.0108 222 ILE A CG1 1091 C CG2 . ILE A 142 ? 0.1799 0.1291 0.1586 -0.0546 -0.0076 -0.0466 222 ILE A CG2 1092 C CD1 . ILE A 142 ? 0.1949 0.2183 0.1576 0.0163 -0.0539 -0.0181 222 ILE A CD1 1093 N N . LEU A 143 ? 0.1480 0.1040 0.1206 -0.0275 -0.0197 -0.0142 223 LEU A N 1094 C CA . LEU A 143 ? 0.1434 0.0990 0.0995 -0.0185 -0.0222 -0.0337 223 LEU A CA 1095 C C . LEU A 143 ? 0.1240 0.1042 0.1316 -0.0131 0.0053 0.0038 223 LEU A C 1096 O O . LEU A 143 ? 0.1218 0.1153 0.1199 -0.0246 0.0092 -0.0140 223 LEU A O 1097 C CB . LEU A 143 ? 0.1489 0.1330 0.1185 -0.0058 -0.0290 -0.0132 223 LEU A CB 1098 C CG . LEU A 143 ? 0.1406 0.1334 0.0892 -0.0077 -0.0148 0.0006 223 LEU A CG 1099 C CD1 . LEU A 143 ? 0.1408 0.1474 0.1127 -0.0263 0.0289 -0.0021 223 LEU A CD1 1100 C CD2 . LEU A 143 ? 0.1530 0.1405 0.1690 0.0226 -0.0363 0.0130 223 LEU A CD2 1101 N N . ARG A 144 ? 0.1144 0.1036 0.1436 0.0032 -0.0101 -0.0098 224 ARG A N 1102 C CA . ARG A 144 ? 0.1053 0.1130 0.1260 -0.0060 -0.0110 -0.0126 224 ARG A CA 1103 C C . ARG A 144 ? 0.1168 0.1146 0.1139 -0.0157 0.0075 -0.0124 224 ARG A C 1104 O O . ARG A 144 ? 0.1356 0.1179 0.1265 -0.0209 0.0264 -0.0166 224 ARG A O 1105 C CB . ARG A 144 ? 0.1011 0.1161 0.1236 -0.0077 -0.0109 -0.0404 224 ARG A CB 1106 C CG . ARG A 144 ? 0.1129 0.1356 0.1316 -0.0405 -0.0461 -0.0254 224 ARG A CG 1107 C CD . ARG A 144 ? 0.1379 0.1502 0.1420 -0.0542 -0.0356 -0.0167 224 ARG A CD 1108 N NE . ARG A 144 ? 0.1305 0.1498 0.1550 -0.0631 -0.0281 -0.0148 224 ARG A NE 1109 C CZ . ARG A 144 ? 0.1030 0.1611 0.1696 -0.0220 0.0154 -0.0173 224 ARG A CZ 1110 N NH1 . ARG A 144 ? 0.1249 0.1763 0.1634 -0.0163 0.0011 -0.0051 224 ARG A NH1 1111 N NH2 . ARG A 144 ? 0.1042 0.1760 0.1837 -0.0106 -0.0030 -0.0498 224 ARG A NH2 1112 N N . THR A 145 ? 0.1185 0.1224 0.1048 -0.0118 0.0215 -0.0131 225 THR A N 1113 C CA . THR A 145 ? 0.1060 0.1110 0.1239 -0.0018 0.0033 -0.0126 225 THR A CA 1114 C C . THR A 145 ? 0.1323 0.1051 0.1124 -0.0067 0.0194 -0.0221 225 THR A C 1115 O O . THR A 145 ? 0.1404 0.1227 0.1524 -0.0191 0.0006 -0.0057 225 THR A O 1116 C CB . THR A 145 ? 0.1081 0.1365 0.1281 -0.0294 0.0076 -0.0241 225 THR A CB 1117 O OG1 . THR A 145 ? 0.1462 0.1406 0.1094 -0.0154 -0.0114 -0.0215 225 THR A OG1 1118 C CG2 . THR A 145 ? 0.0986 0.1275 0.1442 -0.0513 0.0107 0.0067 225 THR A CG2 1119 N N . GLN A 146 ? 0.1500 0.0921 0.1168 -0.0082 0.0387 -0.0303 226 GLN A N 1120 C CA . GLN A 146 ? 0.1404 0.1036 0.1068 -0.0031 0.0307 -0.0163 226 GLN A CA 1121 C C . GLN A 146 ? 0.1325 0.1176 0.0707 -0.0094 0.0100 0.0033 226 GLN A C 1122 O O . GLN A 146 ? 0.1086 0.1239 0.1178 -0.0278 -0.0091 0.0104 226 GLN A O 1123 C CB . GLN A 146 ? 0.1687 0.1252 0.0544 -0.0226 0.0157 -0.0157 226 GLN A CB 1124 C CG . GLN A 146 ? 0.1652 0.1257 0.0772 -0.0227 0.0426 0.0247 226 GLN A CG 1125 C CD . GLN A 146 ? 0.1548 0.1481 0.1047 -0.0045 0.0213 0.0050 226 GLN A CD 1126 O OE1 . GLN A 146 ? 0.1578 0.1721 0.1003 0.0158 -0.0014 -0.0063 226 GLN A OE1 1127 N NE2 . GLN A 146 ? 0.1787 0.1701 0.1404 -0.0084 0.0185 0.0010 226 GLN A NE2 1128 N N . GLU A 147 ? 0.1348 0.1155 0.1050 -0.0223 0.0231 -0.0065 227 GLU A N 1129 C CA . GLU A 147 ? 0.1506 0.1134 0.0782 -0.0073 -0.0049 0.0115 227 GLU A CA 1130 C C . GLU A 147 ? 0.1460 0.1074 0.0718 -0.0148 0.0124 0.0166 227 GLU A C 1131 O O . GLU A 147 ? 0.1366 0.1065 0.1226 0.0095 0.0018 -0.0022 227 GLU A O 1132 C CB . GLU A 147 ? 0.1493 0.1042 0.0995 -0.0097 -0.0034 -0.0048 227 GLU A CB 1133 C CG . GLU A 147 ? 0.1420 0.1158 0.1432 -0.0030 -0.0137 -0.0140 227 GLU A CG 1134 C CD . GLU A 147 ? 0.1546 0.1500 0.1583 -0.0066 -0.0043 -0.0207 227 GLU A CD 1135 O OE1 . GLU A 147 ? 0.1578 0.1597 0.1474 0.0014 0.0006 -0.0240 227 GLU A OE1 1136 O OE2 . GLU A 147 ? 0.1485 0.1675 0.1850 0.0098 -0.0143 -0.0294 227 GLU A OE2 1137 N N . SER A 148 ? 0.1395 0.1149 0.0840 -0.0203 0.0249 0.0010 228 SER A N 1138 C CA . SER A 148 ? 0.1030 0.1319 0.0989 -0.0139 0.0018 -0.0055 228 SER A CA 1139 C C . SER A 148 ? 0.1199 0.1303 0.1062 -0.0119 0.0157 -0.0363 228 SER A C 1140 O O . SER A 148 ? 0.1282 0.1326 0.1299 -0.0095 -0.0136 -0.0229 228 SER A O 1141 C CB . SER A 148 ? 0.1036 0.1629 0.1453 -0.0191 0.0118 0.0309 228 SER A CB 1142 O OG . SER A 148 ? 0.1124 0.1752 0.1577 -0.0227 0.0263 0.0049 228 SER A OG 1143 N N A SER A 149 ? 0.1133 0.1119 0.0841 -0.0189 0.0052 -0.0631 229 SER A N 1144 N N B SER A 149 ? 0.1273 0.1146 0.0868 -0.0236 -0.0064 -0.0520 229 SER A N 1145 C CA A SER A 149 ? 0.1161 0.0996 0.0647 -0.0004 0.0047 -0.0303 229 SER A CA 1146 C CA B SER A 149 ? 0.1436 0.1028 0.0797 -0.0051 -0.0146 -0.0038 229 SER A CA 1147 C C A SER A 149 ? 0.1290 0.1175 0.1056 0.0055 0.0008 -0.0147 229 SER A C 1148 C C B SER A 149 ? 0.1455 0.1114 0.1240 0.0065 -0.0139 -0.0017 229 SER A C 1149 O O A SER A 149 ? 0.1475 0.1382 0.1182 -0.0020 0.0086 -0.0077 229 SER A O 1150 O O B SER A 149 ? 0.1677 0.1151 0.1559 0.0032 -0.0206 0.0085 229 SER A O 1151 C CB A SER A 149 ? 0.1178 0.0979 0.1016 0.0081 0.0192 -0.0496 229 SER A CB 1152 C CB B SER A 149 ? 0.1673 0.1104 0.1200 0.0051 -0.0069 -0.0115 229 SER A CB 1153 O OG A SER A 149 ? 0.1060 0.0846 0.1005 0.0009 0.0399 -0.0238 229 SER A OG 1154 O OG B SER A 149 ? 0.1840 0.1075 0.1241 0.0185 -0.0046 0.0129 229 SER A OG 1155 N N . CYS A 150 ? 0.1407 0.1079 0.0903 0.0136 -0.0087 0.0213 230 CYS A N 1156 C CA . CYS A 150 ? 0.1388 0.0895 0.1138 -0.0118 0.0155 0.0295 230 CYS A CA 1157 C C . CYS A 150 ? 0.1424 0.1203 0.1193 -0.0325 0.0251 0.0116 230 CYS A C 1158 O O . CYS A 150 ? 0.1735 0.1343 0.1100 -0.0283 0.0211 0.0120 230 CYS A O 1159 C CB . CYS A 150 ? 0.1257 0.1118 0.1468 -0.0282 0.0095 0.0279 230 CYS A CB 1160 S SG . CYS A 150 ? 0.1632 0.1512 0.1542 -0.0040 0.0110 0.0119 230 CYS A SG 1161 N N . VAL A 151 ? 0.1262 0.1554 0.0736 -0.0325 0.0289 -0.0234 231 VAL A N 1162 C CA . VAL A 151 ? 0.1066 0.1723 0.0876 -0.0460 0.0281 -0.0182 231 VAL A CA 1163 C C . VAL A 151 ? 0.1373 0.1791 0.0858 -0.0428 0.0007 -0.0109 231 VAL A C 1164 O O . VAL A 151 ? 0.1673 0.1711 0.1359 -0.0198 -0.0128 -0.0174 231 VAL A O 1165 C CB . VAL A 151 ? 0.1104 0.1867 0.0895 -0.0167 0.0181 -0.0032 231 VAL A CB 1166 C CG1 . VAL A 151 ? 0.1399 0.1970 0.1424 0.0028 0.0317 -0.0216 231 VAL A CG1 1167 C CG2 . VAL A 151 ? 0.1166 0.1969 0.1310 -0.0111 0.0045 0.0063 231 VAL A CG2 1168 N N . CYS A 152 ? 0.1445 0.1900 0.0864 -0.0588 0.0008 -0.0311 232 CYS A N 1169 C CA . CYS A 152 ? 0.1428 0.2102 0.0878 -0.0350 0.0312 -0.0297 232 CYS A CA 1170 C C . CYS A 152 ? 0.1517 0.2028 0.0838 -0.0050 0.0458 -0.0424 232 CYS A C 1171 O O . CYS A 152 ? 0.1901 0.2142 0.1280 0.0135 0.0517 -0.0167 232 CYS A O 1172 C CB . CYS A 152 ? 0.1608 0.2148 0.1320 -0.0249 0.0485 -0.0238 232 CYS A CB 1173 S SG . CYS A 152 ? 0.1759 0.2042 0.1547 -0.0320 0.0129 -0.0192 232 CYS A SG 1174 N N . MET A 153 ? 0.1603 0.2028 0.0635 -0.0219 0.0357 -0.0271 233 MET A N 1175 C CA . MET A 153 ? 0.1582 0.2076 0.1130 -0.0210 0.0189 -0.0226 233 MET A CA 1176 C C . MET A 153 ? 0.1862 0.2111 0.0965 -0.0150 0.0207 -0.0129 233 MET A C 1177 O O . MET A 153 ? 0.1947 0.1959 0.1501 -0.0225 0.0347 -0.0250 233 MET A O 1178 C CB . MET A 153 ? 0.1429 0.2186 0.1486 -0.0211 0.0118 -0.0079 233 MET A CB 1179 C CG . MET A 153 ? 0.1426 0.2399 0.2154 -0.0190 -0.0016 -0.0271 233 MET A CG 1180 S SD . MET A 153 ? 0.1675 0.2370 0.2669 -0.0110 0.0222 -0.0474 233 MET A SD 1181 C CE . MET A 153 ? 0.1710 0.2217 0.2600 -0.0448 0.0280 -0.0078 233 MET A CE 1182 N N . ASN A 154 ? 0.1993 0.2215 0.1000 -0.0074 0.0015 -0.0107 234 ASN A N 1183 C CA . ASN A 154 ? 0.2069 0.2210 0.1270 -0.0009 0.0048 -0.0114 234 ASN A CA 1184 C C . ASN A 154 ? 0.2121 0.2196 0.1350 -0.0152 0.0217 -0.0338 234 ASN A C 1185 O O . ASN A 154 ? 0.2303 0.2417 0.1908 -0.0019 0.0267 -0.0054 234 ASN A O 1186 C CB . ASN A 154 ? 0.2354 0.2548 0.1606 0.0129 0.0350 -0.0101 234 ASN A CB 1187 C CG . ASN A 154 ? 0.2632 0.2879 0.2086 0.0063 0.0115 0.0091 234 ASN A CG 1188 O OD1 . ASN A 154 ? 0.2860 0.2819 0.1852 0.0119 0.0403 0.0157 234 ASN A OD1 1189 N ND2 . ASN A 154 ? 0.2695 0.3073 0.2460 0.0005 -0.0206 0.0076 234 ASN A ND2 1190 N N . GLY A 155 ? 0.1865 0.2079 0.1415 -0.0294 0.0365 -0.0469 235 GLY A N 1191 C CA . GLY A 155 ? 0.1916 0.1988 0.1298 -0.0203 0.0252 -0.0422 235 GLY A CA 1192 C C . GLY A 155 ? 0.1918 0.1884 0.1219 -0.0217 0.0222 -0.0221 235 GLY A C 1193 O O . GLY A 155 ? 0.1939 0.2036 0.1668 -0.0253 0.0222 -0.0147 235 GLY A O 1194 N N . ASN A 156 ? 0.2012 0.1858 0.1070 -0.0232 0.0104 -0.0151 236 ASN A N 1195 C CA . ASN A 156 ? 0.2086 0.1984 0.0912 -0.0295 0.0123 0.0040 236 ASN A CA 1196 C C . ASN A 156 ? 0.1965 0.1870 0.0883 -0.0180 0.0200 0.0045 236 ASN A C 1197 O O . ASN A 156 ? 0.1997 0.1931 0.1314 0.0080 0.0141 -0.0164 236 ASN A O 1198 C CB . ASN A 156 ? 0.2230 0.2213 0.0782 -0.0423 0.0153 0.0258 236 ASN A CB 1199 C CG . ASN A 156 ? 0.2384 0.2307 0.0961 -0.0347 0.0253 0.0292 236 ASN A CG 1200 O OD1 . ASN A 156 ? 0.2637 0.2626 0.1682 -0.0347 0.0515 0.0074 236 ASN A OD1 1201 N ND2 . ASN A 156 ? 0.2546 0.2111 0.1332 -0.0408 0.0171 0.0442 236 ASN A ND2 1202 N N . CYS A 157 ? 0.1843 0.1878 0.0816 -0.0495 0.0190 0.0007 237 CYS A N 1203 C CA . CYS A 157 ? 0.1464 0.1839 0.0975 -0.0516 0.0138 -0.0052 237 CYS A CA 1204 C C . CYS A 157 ? 0.1323 0.1499 0.1293 -0.0474 0.0067 -0.0412 237 CYS A C 1205 O O . CYS A 157 ? 0.1518 0.1540 0.1687 -0.0388 -0.0202 -0.0493 237 CYS A O 1206 C CB . CYS A 157 ? 0.1567 0.1976 0.1473 -0.0714 -0.0132 -0.0005 237 CYS A CB 1207 S SG . CYS A 157 ? 0.1804 0.2058 0.1737 -0.0663 -0.0088 -0.0072 237 CYS A SG 1208 N N . TYR A 158 ? 0.1301 0.1468 0.0844 -0.0434 0.0014 -0.0360 238 TYR A N 1209 C CA . TYR A 158 ? 0.1365 0.1346 0.0656 -0.0293 0.0056 -0.0298 238 TYR A CA 1210 C C . TYR A 158 ? 0.1434 0.1383 0.0829 -0.0360 0.0083 -0.0122 238 TYR A C 1211 O O . TYR A 158 ? 0.1458 0.1410 0.1197 -0.0415 0.0122 0.0292 238 TYR A O 1212 C CB . TYR A 158 ? 0.1386 0.1515 0.0741 -0.0188 0.0213 0.0131 238 TYR A CB 1213 C CG . TYR A 158 ? 0.1499 0.1506 0.0713 -0.0167 0.0083 0.0199 238 TYR A CG 1214 C CD1 . TYR A 158 ? 0.1555 0.1707 0.1343 -0.0179 -0.0087 0.0504 238 TYR A CD1 1215 C CD2 . TYR A 158 ? 0.1326 0.1364 0.0891 -0.0336 0.0120 -0.0119 238 TYR A CD2 1216 C CE1 . TYR A 158 ? 0.1636 0.1667 0.1508 -0.0282 0.0004 0.0189 238 TYR A CE1 1217 C CE2 . TYR A 158 ? 0.1417 0.1530 0.0998 -0.0437 0.0351 -0.0036 238 TYR A CE2 1218 C CZ . TYR A 158 ? 0.1764 0.1728 0.1139 -0.0366 0.0277 0.0054 238 TYR A CZ 1219 O OH . TYR A 158 ? 0.2100 0.1840 0.1196 -0.0322 0.0411 0.0139 238 TYR A OH 1220 N N . TRP A 159 ? 0.1543 0.1304 0.0835 -0.0236 0.0053 -0.0183 239 TRP A N 1221 C CA . TRP A 159 ? 0.1371 0.1122 0.1095 -0.0279 -0.0109 0.0139 239 TRP A CA 1222 C C . TRP A 159 ? 0.1400 0.1076 0.1031 -0.0059 0.0047 0.0287 239 TRP A C 1223 O O . TRP A 159 ? 0.1690 0.1049 0.1053 -0.0124 0.0032 0.0310 239 TRP A O 1224 C CB . TRP A 159 ? 0.1330 0.1148 0.1383 -0.0135 0.0421 0.0218 239 TRP A CB 1225 C CG . TRP A 159 ? 0.1356 0.1332 0.1175 -0.0159 0.0250 -0.0011 239 TRP A CG 1226 C CD1 . TRP A 159 ? 0.1374 0.1456 0.1374 -0.0148 0.0018 -0.0098 239 TRP A CD1 1227 C CD2 . TRP A 159 ? 0.1340 0.1448 0.1167 -0.0194 0.0123 0.0068 239 TRP A CD2 1228 N NE1 . TRP A 159 ? 0.1359 0.1482 0.1513 -0.0237 -0.0157 -0.0075 239 TRP A NE1 1229 C CE2 . TRP A 159 ? 0.1466 0.1525 0.1364 -0.0230 -0.0215 0.0038 239 TRP A CE2 1230 C CE3 . TRP A 159 ? 0.1629 0.1620 0.1323 -0.0018 0.0141 0.0017 239 TRP A CE3 1231 C CZ2 . TRP A 159 ? 0.1579 0.1683 0.1432 -0.0269 -0.0140 -0.0015 239 TRP A CZ2 1232 C CZ3 . TRP A 159 ? 0.1804 0.1706 0.1566 -0.0024 0.0296 -0.0077 239 TRP A CZ3 1233 C CH2 . TRP A 159 ? 0.1712 0.1718 0.1309 -0.0168 0.0360 0.0011 239 TRP A CH2 1234 N N . VAL A 160 ? 0.1218 0.1259 0.1072 -0.0229 -0.0118 -0.0184 240 VAL A N 1235 C CA . VAL A 160 ? 0.1283 0.1323 0.0915 -0.0030 -0.0255 -0.0016 240 VAL A CA 1236 C C . VAL A 160 ? 0.1505 0.1238 0.0774 0.0027 -0.0046 0.0036 240 VAL A C 1237 O O . VAL A 160 ? 0.1840 0.1198 0.1063 -0.0098 0.0079 0.0080 240 VAL A O 1238 C CB . VAL A 160 ? 0.1044 0.1544 0.1177 -0.0328 -0.0106 -0.0117 240 VAL A CB 1239 C CG1 . VAL A 160 ? 0.1005 0.1519 0.1105 -0.0647 -0.0214 0.0028 240 VAL A CG1 1240 C CG2 . VAL A 160 ? 0.1002 0.1822 0.1640 -0.0213 0.0244 -0.0275 240 VAL A CG2 1241 N N . MET A 161 ? 0.1491 0.1069 0.0911 0.0041 0.0023 -0.0127 241 MET A N 1242 C CA . MET A 161 ? 0.1310 0.1206 0.1211 -0.0148 -0.0286 -0.0072 241 MET A CA 1243 C C . MET A 161 ? 0.1178 0.1103 0.1260 -0.0375 0.0055 -0.0190 241 MET A C 1244 O O . MET A 161 ? 0.1373 0.1047 0.1425 -0.0475 0.0117 -0.0072 241 MET A O 1245 C CB . MET A 161 ? 0.1277 0.1460 0.1463 -0.0066 -0.0574 0.0037 241 MET A CB 1246 C CG . MET A 161 ? 0.1133 0.1539 0.1774 -0.0274 -0.0507 -0.0564 241 MET A CG 1247 S SD . MET A 161 ? 0.1629 0.1798 0.2235 -0.0174 -0.0111 -0.0261 241 MET A SD 1248 C CE . MET A 161 ? 0.1571 0.1281 0.1583 -0.0822 -0.0275 0.0844 241 MET A CE 1249 N N . THR A 162 ? 0.1170 0.1055 0.1185 -0.0258 -0.0148 -0.0251 242 THR A N 1250 C CA . THR A 162 ? 0.1124 0.1000 0.1264 -0.0081 -0.0109 -0.0186 242 THR A CA 1251 C C . THR A 162 ? 0.1196 0.0915 0.1174 -0.0140 -0.0136 -0.0187 242 THR A C 1252 O O . THR A 162 ? 0.1116 0.1052 0.1429 -0.0276 0.0000 -0.0202 242 THR A O 1253 C CB . THR A 162 ? 0.1171 0.1048 0.1106 -0.0168 -0.0412 -0.0462 242 THR A CB 1254 O OG1 . THR A 162 ? 0.1525 0.1304 0.1688 0.0080 -0.0058 -0.0220 242 THR A OG1 1255 C CG2 . THR A 162 ? 0.1415 0.1174 0.1225 -0.0335 -0.0137 -0.0139 242 THR A CG2 1256 N N . ASP A 163 ? 0.1292 0.0893 0.1099 -0.0059 -0.0119 -0.0128 243 ASP A N 1257 C CA . ASP A 163 ? 0.1353 0.1013 0.1323 -0.0078 -0.0137 -0.0068 243 ASP A CA 1258 C C . ASP A 163 ? 0.1356 0.1020 0.1540 -0.0327 -0.0094 -0.0067 243 ASP A C 1259 O O . ASP A 163 ? 0.1374 0.1334 0.1577 -0.0573 0.0021 -0.0173 243 ASP A O 1260 C CB . ASP A 163 ? 0.1368 0.1277 0.1753 0.0068 -0.0293 -0.0167 243 ASP A CB 1261 C CG . ASP A 163 ? 0.1549 0.1396 0.1611 -0.0097 -0.0589 0.0066 243 ASP A CG 1262 O OD1 . ASP A 163 ? 0.1635 0.1503 0.1722 -0.0148 -0.0260 0.0150 243 ASP A OD1 1263 O OD2 . ASP A 163 ? 0.1664 0.1426 0.1356 0.0018 -0.0319 -0.0049 243 ASP A OD2 1264 N N . GLY A 164 ? 0.1194 0.1164 0.1621 -0.0380 -0.0235 -0.0148 244 GLY A N 1265 C CA . GLY A 164 ? 0.1216 0.1220 0.1228 -0.0376 -0.0210 0.0054 244 GLY A CA 1266 C C . GLY A 164 ? 0.1279 0.1308 0.1175 -0.0352 -0.0214 -0.0111 244 GLY A C 1267 O O . GLY A 164 ? 0.1344 0.1383 0.1704 -0.0605 -0.0141 -0.0120 244 GLY A O 1268 N N . PRO A 165 ? 0.1494 0.1521 0.1587 -0.0289 -0.0281 -0.0096 245 PRO A N 1269 C CA . PRO A 165 ? 0.1441 0.1616 0.1862 -0.0463 -0.0604 -0.0145 245 PRO A CA 1270 C C . PRO A 165 ? 0.1540 0.1629 0.1387 -0.0590 -0.0346 -0.0060 245 PRO A C 1271 O O . PRO A 165 ? 0.1710 0.1565 0.1566 -0.0249 -0.0372 0.0158 245 PRO A O 1272 C CB . PRO A 165 ? 0.1556 0.1643 0.2278 -0.0572 -0.0875 -0.0256 245 PRO A CB 1273 C CG . PRO A 165 ? 0.1621 0.1610 0.1957 -0.0456 -0.0639 -0.0184 245 PRO A CG 1274 C CD . PRO A 165 ? 0.1634 0.1508 0.1391 -0.0531 -0.0493 -0.0169 245 PRO A CD 1275 N N . ALA A 166 ? 0.1634 0.1654 0.1487 -0.0299 -0.0525 0.0336 246 ALA A N 1276 C CA . ALA A 166 ? 0.1673 0.1682 0.1350 -0.0192 -0.0162 0.0266 246 ALA A CA 1277 C C . ALA A 166 ? 0.1612 0.1702 0.1412 -0.0034 -0.0204 -0.0083 246 ALA A C 1278 O O . ALA A 166 ? 0.1566 0.1655 0.1693 0.0004 -0.0218 -0.0316 246 ALA A O 1279 C CB . ALA A 166 ? 0.1779 0.1925 0.1758 -0.0184 0.0102 0.0352 246 ALA A CB 1280 N N . ASN A 167 ? 0.1581 0.1701 0.1296 -0.0167 -0.0501 0.0013 247 ASN A N 1281 C CA . ASN A 167 ? 0.1538 0.1822 0.1526 -0.0202 -0.0396 0.0189 247 ASN A CA 1282 C C . ASN A 167 ? 0.1557 0.2041 0.1672 -0.0292 -0.0379 0.0087 247 ASN A C 1283 O O . ASN A 167 ? 0.1571 0.2411 0.1879 -0.0313 -0.0298 -0.0125 247 ASN A O 1284 C CB . ASN A 167 ? 0.1734 0.1712 0.1374 -0.0078 -0.0095 0.0294 247 ASN A CB 1285 C CG . ASN A 167 ? 0.1896 0.1789 0.1528 -0.0211 -0.0230 -0.0188 247 ASN A CG 1286 O OD1 . ASN A 167 ? 0.2248 0.2090 0.1886 -0.0347 0.0095 -0.0325 247 ASN A OD1 1287 N ND2 . ASN A 167 ? 0.1869 0.1550 0.1609 -0.0166 -0.0422 -0.0087 247 ASN A ND2 1288 N N . SER A 168 ? 0.1697 0.1775 0.1455 -0.0307 -0.0212 0.0131 248 SER A N 1289 C CA . SER A 168 ? 0.1806 0.1630 0.1837 -0.0468 -0.0302 -0.0079 248 SER A CA 1290 C C . SER A 168 ? 0.1730 0.1448 0.1937 -0.0340 -0.0209 0.0209 248 SER A C 1291 O O . SER A 168 ? 0.1707 0.1153 0.1953 -0.0397 -0.0261 -0.0057 248 SER A O 1292 C CB . SER A 168 ? 0.1892 0.1973 0.2019 -0.0524 -0.0500 -0.0429 248 SER A CB 1293 O OG . SER A 168 ? 0.1934 0.2037 0.2276 -0.0546 -0.0293 -0.0431 248 SER A OG 1294 N N . GLN A 169 ? 0.1750 0.1547 0.1527 -0.0415 -0.0179 0.0243 249 GLN A N 1295 C CA . GLN A 169 ? 0.1710 0.1598 0.1691 -0.0641 -0.0186 0.0317 249 GLN A CA 1296 C C . GLN A 169 ? 0.1566 0.1555 0.1821 -0.0580 -0.0135 -0.0062 249 GLN A C 1297 O O . GLN A 169 ? 0.1480 0.1718 0.1921 -0.0370 0.0139 -0.0014 249 GLN A O 1298 C CB . GLN A 169 ? 0.1740 0.1424 0.1418 -0.0821 -0.0066 0.0363 249 GLN A CB 1299 C CG . GLN A 169 ? 0.1828 0.1404 0.1380 -0.0570 0.0011 0.0259 249 GLN A CG 1300 C CD . GLN A 169 ? 0.1815 0.1520 0.1567 -0.0472 -0.0243 -0.0057 249 GLN A CD 1301 O OE1 . GLN A 169 ? 0.1845 0.1774 0.1925 -0.0340 -0.0056 -0.0093 249 GLN A OE1 1302 N NE2 . GLN A 169 ? 0.1839 0.1448 0.2045 -0.0405 -0.0357 -0.0066 249 GLN A NE2 1303 N N . ALA A 170 ? 0.1454 0.1325 0.1657 -0.0719 -0.0126 -0.0270 250 ALA A N 1304 C CA . ALA A 170 ? 0.1439 0.1428 0.1312 -0.0545 -0.0042 0.0004 250 ALA A CA 1305 C C . ALA A 170 ? 0.1517 0.1669 0.1383 -0.0277 0.0166 -0.0248 250 ALA A C 1306 O O . ALA A 170 ? 0.1331 0.1762 0.1338 -0.0184 -0.0051 -0.0149 250 ALA A O 1307 C CB . ALA A 170 ? 0.1402 0.1438 0.1688 -0.0529 0.0102 -0.0090 250 ALA A CB 1308 N N . SER A 171 ? 0.1639 0.1638 0.1418 -0.0311 -0.0176 -0.0211 251 SER A N 1309 C CA . SER A 171 ? 0.1651 0.1447 0.1547 -0.0289 -0.0217 -0.0058 251 SER A CA 1310 C C . SER A 171 ? 0.1502 0.1402 0.1184 -0.0255 -0.0170 -0.0168 251 SER A C 1311 O O . SER A 171 ? 0.1416 0.1482 0.1404 -0.0322 0.0084 -0.0068 251 SER A O 1312 C CB . SER A 171 ? 0.1928 0.1478 0.1789 -0.0023 -0.0315 -0.0190 251 SER A CB 1313 O OG . SER A 171 ? 0.2133 0.1560 0.2088 0.0192 -0.0175 -0.0269 251 SER A OG 1314 N N . TYR A 172 ? 0.1409 0.1452 0.0994 -0.0324 -0.0118 -0.0274 252 TYR A N 1315 C CA . TYR A 172 ? 0.1564 0.1481 0.1309 -0.0434 -0.0187 -0.0159 252 TYR A CA 1316 C C . TYR A 172 ? 0.1659 0.1493 0.1062 -0.0570 -0.0002 0.0042 252 TYR A C 1317 O O . TYR A 172 ? 0.1840 0.1551 0.1182 -0.0690 0.0033 0.0400 252 TYR A O 1318 C CB . TYR A 172 ? 0.1766 0.1430 0.1237 -0.0429 0.0032 -0.0284 252 TYR A CB 1319 C CG . TYR A 172 ? 0.1704 0.1212 0.1501 -0.0284 0.0000 -0.0300 252 TYR A CG 1320 C CD1 . TYR A 172 ? 0.1824 0.1099 0.1596 -0.0143 -0.0021 -0.0091 252 TYR A CD1 1321 C CD2 . TYR A 172 ? 0.1678 0.1157 0.1548 -0.0300 -0.0097 -0.0085 252 TYR A CD2 1322 C CE1 . TYR A 172 ? 0.1646 0.1125 0.1645 -0.0145 -0.0020 -0.0203 252 TYR A CE1 1323 C CE2 . TYR A 172 ? 0.1578 0.1220 0.1358 -0.0264 -0.0115 -0.0140 252 TYR A CE2 1324 C CZ . TYR A 172 ? 0.1530 0.1208 0.1405 -0.0224 -0.0273 -0.0119 252 TYR A CZ 1325 O OH . TYR A 172 ? 0.1510 0.1344 0.1714 -0.0217 -0.0165 -0.0037 252 TYR A OH 1326 N N . LYS A 173 ? 0.1878 0.1283 0.0999 -0.0402 -0.0081 -0.0256 253 LYS A N 1327 C CA . LYS A 173 ? 0.1791 0.1243 0.1248 -0.0340 -0.0010 0.0050 253 LYS A CA 1328 C C . LYS A 173 ? 0.1785 0.1172 0.1085 -0.0471 0.0082 0.0223 253 LYS A C 1329 O O . LYS A 173 ? 0.1871 0.1454 0.1021 -0.0590 0.0160 0.0145 253 LYS A O 1330 C CB . LYS A 173 ? 0.1880 0.1260 0.1671 -0.0224 -0.0021 0.0033 253 LYS A CB 1331 C CG . LYS A 173 ? 0.2039 0.1490 0.1851 0.0084 -0.0059 0.0340 253 LYS A CG 1332 C CD . LYS A 173 ? 0.2161 0.1749 0.1898 0.0365 -0.0043 0.0239 253 LYS A CD 1333 C CE . LYS A 173 ? 0.2632 0.2242 0.2399 0.0751 -0.0054 0.0223 253 LYS A CE 1334 N NZ . LYS A 173 ? 0.2977 0.2468 0.2418 0.0961 -0.0157 0.0267 253 LYS A NZ 1335 N N . ILE A 174 ? 0.1672 0.1178 0.1213 -0.0450 0.0049 -0.0051 254 ILE A N 1336 C CA . ILE A 174 ? 0.1642 0.1561 0.1123 -0.0054 -0.0105 -0.0314 254 ILE A CA 1337 C C . ILE A 174 ? 0.1558 0.1335 0.1118 -0.0235 -0.0082 0.0159 254 ILE A C 1338 O O . ILE A 174 ? 0.1776 0.1284 0.1412 -0.0368 -0.0222 0.0358 254 ILE A O 1339 C CB . ILE A 174 ? 0.1709 0.2144 0.1720 0.0414 -0.0011 -0.0973 254 ILE A CB 1340 C CG1 . ILE A 174 ? 0.1918 0.2553 0.2652 0.0588 0.0250 -0.0954 254 ILE A CG1 1341 C CG2 . ILE A 174 ? 0.2033 0.2358 0.2550 0.0236 -0.0083 -0.0534 254 ILE A CG2 1342 C CD1 . ILE A 174 ? 0.2041 0.2622 0.3404 0.0562 0.0443 -0.0958 254 ILE A CD1 1343 N N . PHE A 175 ? 0.1194 0.1502 0.1100 -0.0443 -0.0114 -0.0155 255 PHE A N 1344 C CA . PHE A 175 ? 0.1588 0.1520 0.1007 -0.0249 0.0107 -0.0188 255 PHE A CA 1345 C C . PHE A 175 ? 0.1617 0.1397 0.1105 -0.0260 0.0155 -0.0188 255 PHE A C 1346 O O . PHE A 175 ? 0.1679 0.1494 0.1686 -0.0078 -0.0064 0.0042 255 PHE A O 1347 C CB . PHE A 175 ? 0.1700 0.1622 0.1267 -0.0375 0.0251 -0.0071 255 PHE A CB 1348 C CG . PHE A 175 ? 0.1913 0.1477 0.1210 -0.0534 0.0274 -0.0142 255 PHE A CG 1349 C CD1 . PHE A 175 ? 0.2001 0.1632 0.1600 -0.0241 0.0565 -0.0268 255 PHE A CD1 1350 C CD2 . PHE A 175 ? 0.1890 0.1519 0.0834 -0.0666 0.0362 -0.0108 255 PHE A CD2 1351 C CE1 . PHE A 175 ? 0.2063 0.1648 0.1784 -0.0332 0.0615 -0.0075 255 PHE A CE1 1352 C CE2 . PHE A 175 ? 0.1902 0.1448 0.1632 -0.0541 0.0581 -0.0187 255 PHE A CE2 1353 C CZ . PHE A 175 ? 0.1940 0.1548 0.1814 -0.0460 0.0458 0.0009 255 PHE A CZ 1354 N N . LYS A 176 ? 0.1712 0.1528 0.0944 -0.0255 -0.0002 -0.0153 256 LYS A N 1355 C CA . LYS A 176 ? 0.1720 0.1690 0.1222 -0.0245 0.0224 -0.0065 256 LYS A CA 1356 C C . LYS A 176 ? 0.1693 0.1710 0.1305 -0.0164 0.0224 -0.0014 256 LYS A C 1357 O O . LYS A 176 ? 0.1708 0.1755 0.1452 -0.0223 0.0098 -0.0055 256 LYS A O 1358 C CB . LYS A 176 ? 0.1825 0.1915 0.0855 -0.0279 0.0290 0.0071 256 LYS A CB 1359 C CG . LYS A 176 ? 0.1714 0.2048 0.0863 -0.0223 0.0210 0.0119 256 LYS A CG 1360 C CD . LYS A 176 ? 0.1872 0.2184 0.0679 -0.0125 0.0150 -0.0168 256 LYS A CD 1361 C CE . LYS A 176 ? 0.1918 0.2351 0.0875 -0.0108 0.0210 -0.0041 256 LYS A CE 1362 N NZ . LYS A 176 ? 0.1828 0.2559 0.1311 -0.0124 0.0159 0.0255 256 LYS A NZ 1363 N N . SER A 177 ? 0.1475 0.1658 0.1376 -0.0337 0.0030 -0.0070 257 SER A N 1364 C CA . SER A 177 ? 0.1540 0.1810 0.1026 -0.0398 0.0238 0.0120 257 SER A CA 1365 C C . SER A 177 ? 0.1562 0.1977 0.0784 -0.0262 0.0223 -0.0071 257 SER A C 1366 O O . SER A 177 ? 0.1767 0.2157 0.1114 -0.0061 -0.0005 -0.0364 257 SER A O 1367 C CB . SER A 177 ? 0.1735 0.1795 0.1179 -0.0318 0.0143 0.0303 257 SER A CB 1368 O OG . SER A 177 ? 0.1777 0.1861 0.1283 -0.0382 -0.0105 0.0162 257 SER A OG 1369 N N . HIS A 178 ? 0.1687 0.2038 0.0839 -0.0395 -0.0039 0.0070 258 HIS A N 1370 C CA . HIS A 178 ? 0.1644 0.2073 0.0694 -0.0273 0.0065 -0.0118 258 HIS A CA 1371 C C . HIS A 178 ? 0.1567 0.2081 0.1233 -0.0175 0.0219 -0.0068 258 HIS A C 1372 O O . HIS A 178 ? 0.1523 0.2137 0.1158 -0.0099 0.0129 -0.0174 258 HIS A O 1373 C CB . HIS A 178 ? 0.2070 0.2485 0.0683 -0.0218 0.0069 -0.0073 258 HIS A CB 1374 C CG . HIS A 178 ? 0.2245 0.2783 0.0731 -0.0086 -0.0045 -0.0220 258 HIS A CG 1375 N ND1 . HIS A 178 ? 0.2371 0.3013 0.1289 -0.0052 -0.0227 -0.0625 258 HIS A ND1 1376 C CD2 . HIS A 178 ? 0.2313 0.2967 0.1258 -0.0112 -0.0373 -0.0545 258 HIS A CD2 1377 C CE1 . HIS A 178 ? 0.2376 0.3096 0.1578 0.0108 -0.0308 -0.0490 258 HIS A CE1 1378 N NE2 . HIS A 178 ? 0.2368 0.3186 0.1386 -0.0076 -0.0456 -0.0373 258 HIS A NE2 1379 N N . GLU A 179 ? 0.1502 0.2084 0.1233 -0.0305 0.0274 -0.0171 259 GLU A N 1380 C CA . GLU A 179 ? 0.1667 0.2104 0.1020 -0.0244 -0.0200 -0.0445 259 GLU A CA 1381 C C . GLU A 179 ? 0.1619 0.1834 0.1086 -0.0164 -0.0142 -0.0034 259 GLU A C 1382 O O . GLU A 179 ? 0.1665 0.1744 0.1660 0.0023 -0.0153 0.0004 259 GLU A O 1383 C CB . GLU A 179 ? 0.1716 0.2263 0.1348 -0.0414 -0.0110 -0.0394 259 GLU A CB 1384 C CG . GLU A 179 ? 0.2117 0.2547 0.1432 -0.0323 -0.0267 -0.0609 259 GLU A CG 1385 C CD . GLU A 179 ? 0.2642 0.2861 0.2165 -0.0234 -0.0168 -0.0537 259 GLU A CD 1386 O OE1 . GLU A 179 ? 0.2760 0.2912 0.2085 0.0093 -0.0221 -0.0400 259 GLU A OE1 1387 O OE2 . GLU A 179 ? 0.2855 0.3156 0.2525 -0.0313 -0.0311 -0.0549 259 GLU A OE2 1388 N N . GLY A 180 ? 0.1593 0.1750 0.0900 0.0000 0.0025 -0.0069 260 GLY A N 1389 C CA . GLY A 180 ? 0.1733 0.1731 0.0926 -0.0002 -0.0025 -0.0208 260 GLY A CA 1390 C C . GLY A 180 ? 0.1601 0.1739 0.1361 -0.0162 0.0233 0.0177 260 GLY A C 1391 O O . GLY A 180 ? 0.1666 0.1739 0.1453 0.0054 0.0320 0.0051 260 GLY A O 1392 N N . MET A 181 ? 0.1515 0.1776 0.1328 -0.0334 0.0370 0.0284 261 MET A N 1393 C CA . MET A 181 ? 0.1357 0.1901 0.1213 -0.0394 -0.0142 0.0329 261 MET A CA 1394 C C . MET A 181 ? 0.1450 0.1867 0.1118 -0.0336 0.0106 0.0072 261 MET A C 1395 O O . MET A 181 ? 0.1308 0.1691 0.1613 -0.0263 0.0285 0.0101 261 MET A O 1396 C CB . MET A 181 ? 0.1441 0.2188 0.1613 -0.0267 -0.0189 0.0355 261 MET A CB 1397 C CG . MET A 181 ? 0.1541 0.2576 0.2144 -0.0161 0.0307 0.0190 261 MET A CG 1398 S SD . MET A 181 ? 0.1893 0.2885 0.2512 -0.0098 0.0059 0.0234 261 MET A SD 1399 C CE . MET A 181 ? 0.2133 0.2860 0.2917 -0.0169 0.0201 0.0428 261 MET A CE 1400 N N . VAL A 182 ? 0.1570 0.1653 0.1093 -0.0081 0.0175 0.0134 262 VAL A N 1401 C CA . VAL A 182 ? 0.1595 0.1715 0.1001 -0.0320 0.0356 0.0028 262 VAL A CA 1402 C C . VAL A 182 ? 0.1666 0.1831 0.1190 -0.0234 0.0230 0.0257 262 VAL A C 1403 O O . VAL A 182 ? 0.1770 0.2029 0.1792 -0.0143 0.0269 0.0471 262 VAL A O 1404 C CB . VAL A 182 ? 0.1526 0.1862 0.1385 -0.0551 0.0018 0.0225 262 VAL A CB 1405 C CG1 . VAL A 182 ? 0.1329 0.1966 0.1653 -0.0544 -0.0267 0.0276 262 VAL A CG1 1406 C CG2 . VAL A 182 ? 0.1676 0.2170 0.1378 -0.0461 -0.0074 0.0341 262 VAL A CG2 1407 N N . THR A 183 ? 0.1552 0.1952 0.1044 -0.0535 0.0336 0.0161 263 THR A N 1408 C CA . THR A 183 ? 0.1610 0.1922 0.0953 -0.0539 0.0225 0.0138 263 THR A CA 1409 C C . THR A 183 ? 0.1601 0.1842 0.1149 -0.0530 0.0057 0.0244 263 THR A C 1410 O O . THR A 183 ? 0.1814 0.2021 0.1571 -0.0706 -0.0007 0.0587 263 THR A O 1411 C CB . THR A 183 ? 0.1704 0.2050 0.1653 -0.0329 0.0150 -0.0084 263 THR A CB 1412 O OG1 . THR A 183 ? 0.1861 0.2135 0.1718 -0.0006 0.0063 0.0176 263 THR A OG1 1413 C CG2 . THR A 183 ? 0.1625 0.2119 0.1791 -0.0388 0.0055 -0.0028 263 THR A CG2 1414 N N . ASN A 184 ? 0.1643 0.1691 0.1310 -0.0375 0.0069 0.0203 264 ASN A N 1415 C CA . ASN A 184 ? 0.1765 0.1873 0.1275 -0.0260 0.0045 0.0409 264 ASN A CA 1416 C C . ASN A 184 ? 0.1625 0.1628 0.1076 -0.0315 0.0052 0.0316 264 ASN A C 1417 O O . ASN A 184 ? 0.1595 0.1593 0.1180 -0.0336 0.0136 0.0181 264 ASN A O 1418 C CB . ASN A 184 ? 0.2076 0.2361 0.1587 -0.0289 0.0390 0.0507 264 ASN A CB 1419 C CG . ASN A 184 ? 0.2413 0.2649 0.1818 -0.0083 0.0389 0.0707 264 ASN A CG 1420 O OD1 . ASN A 184 ? 0.2474 0.2803 0.1831 -0.0837 -0.0285 0.0570 264 ASN A OD1 1421 N ND2 . ASN A 184 ? 0.2569 0.2804 0.2491 0.0223 0.0496 0.1102 264 ASN A ND2 1422 N N . GLU A 185 ? 0.1692 0.1409 0.1245 -0.0335 -0.0147 0.0195 265 GLU A N 1423 C CA . GLU A 185 ? 0.1955 0.1636 0.1472 -0.0296 0.0109 0.0254 265 GLU A CA 1424 C C . GLU A 185 ? 0.1901 0.1851 0.1616 -0.0783 -0.0225 0.0359 265 GLU A C 1425 O O . GLU A 185 ? 0.2010 0.2142 0.1706 -0.0997 -0.0358 0.0648 265 GLU A O 1426 C CB . GLU A 185 ? 0.2532 0.2018 0.1942 0.0159 0.0175 0.0288 265 GLU A CB 1427 C CG . GLU A 185 ? 0.2969 0.2525 0.2441 0.0647 0.0157 0.0297 265 GLU A CG 1428 C CD . GLU A 185 ? 0.3428 0.3244 0.3278 0.0828 0.0240 0.0167 265 GLU A CD 1429 O OE1 . GLU A 185 ? 0.3552 0.3632 0.3507 0.0873 0.0693 0.0245 265 GLU A OE1 1430 O OE2 . GLU A 185 ? 0.3775 0.3528 0.3550 0.1063 -0.0127 0.0035 265 GLU A OE2 1431 N N . ARG A 186 ? 0.1949 0.1842 0.1453 -0.0862 0.0025 0.0191 266 ARG A N 1432 C CA . ARG A 186 ? 0.2073 0.1974 0.1510 -0.0835 -0.0008 0.0235 266 ARG A CA 1433 C C . ARG A 186 ? 0.1994 0.1629 0.1191 -0.0817 0.0059 0.0221 266 ARG A C 1434 O O . ARG A 186 ? 0.2259 0.1525 0.1505 -0.0817 -0.0132 0.0428 266 ARG A O 1435 C CB . ARG A 186 ? 0.2383 0.2379 0.1625 -0.0937 0.0143 0.0274 266 ARG A CB 1436 C CG . ARG A 186 ? 0.2625 0.2789 0.2343 -0.0939 0.0512 0.0262 266 ARG A CG 1437 C CD . ARG A 186 ? 0.3069 0.2889 0.3330 -0.0931 0.0384 0.0107 266 ARG A CD 1438 N NE . ARG A 186 ? 0.3367 0.2950 0.3831 -0.0859 0.0747 0.0383 266 ARG A NE 1439 C CZ . ARG A 186 ? 0.3617 0.3046 0.3879 -0.0673 0.0641 0.0550 266 ARG A CZ 1440 N NH1 . ARG A 186 ? 0.3459 0.3039 0.3646 -0.0705 0.0767 0.1016 266 ARG A NH1 1441 N NH2 . ARG A 186 ? 0.3773 0.2972 0.3845 -0.0472 0.0317 0.0281 266 ARG A NH2 1442 N N . GLU A 187 ? 0.2006 0.1599 0.1296 -0.0455 -0.0006 0.0000 267 GLU A N 1443 C CA . GLU A 187 ? 0.2151 0.1704 0.1664 -0.0621 -0.0063 0.0190 267 GLU A CA 1444 C C . GLU A 187 ? 0.1848 0.1849 0.1513 -0.0857 0.0053 0.0343 267 GLU A C 1445 O O . GLU A 187 ? 0.1977 0.2252 0.1869 -0.0988 0.0145 0.0422 267 GLU A O 1446 C CB . GLU A 187 ? 0.2541 0.1834 0.2167 -0.0441 -0.0338 -0.0094 267 GLU A CB 1447 C CG . GLU A 187 ? 0.2991 0.2085 0.2329 -0.0226 -0.0388 -0.0189 267 GLU A CG 1448 C CD . GLU A 187 ? 0.3293 0.2364 0.3023 0.0122 -0.0162 -0.0046 267 GLU A CD 1449 O OE1 . GLU A 187 ? 0.3667 0.2636 0.3183 0.0230 -0.0151 -0.0119 267 GLU A OE1 1450 O OE2 . GLU A 187 ? 0.3132 0.2383 0.3190 0.0049 0.0071 0.0274 267 GLU A OE2 1451 N N . VAL A 188 ? 0.1570 0.1788 0.1297 -0.0681 -0.0166 0.0458 268 VAL A N 1452 C CA . VAL A 188 ? 0.1598 0.1927 0.1868 -0.0608 -0.0033 0.0300 268 VAL A CA 1453 C C . VAL A 188 ? 0.1772 0.2067 0.1730 -0.0709 -0.0240 0.0301 268 VAL A C 1454 O O . VAL A 188 ? 0.1920 0.2381 0.1682 -0.0756 -0.0171 0.0078 268 VAL A O 1455 C CB . VAL A 188 ? 0.1626 0.2031 0.2013 -0.0476 -0.0045 0.0011 268 VAL A CB 1456 C CG1 . VAL A 188 ? 0.1741 0.2173 0.2385 -0.0100 -0.0037 0.0014 268 VAL A CG1 1457 C CG2 . VAL A 188 ? 0.1785 0.2272 0.1884 -0.0536 0.0023 -0.0203 268 VAL A CG2 1458 N N . SER A 189 ? 0.1748 0.1882 0.1984 -0.0790 -0.0320 0.0327 269 SER A N 1459 C CA . SER A 189 ? 0.2126 0.1970 0.2319 -0.0837 -0.0324 0.0386 269 SER A CA 1460 C C . SER A 189 ? 0.1911 0.1963 0.1846 -0.0738 -0.0270 0.0262 269 SER A C 1461 O O . SER A 189 ? 0.2078 0.2115 0.1917 -0.0543 0.0177 0.0208 269 SER A O 1462 C CB . SER A 189 ? 0.2579 0.2093 0.2541 -0.1153 -0.0251 0.0654 269 SER A CB 1463 O OG . SER A 189 ? 0.3097 0.2342 0.3375 -0.1133 -0.0281 0.0731 269 SER A OG 1464 N N . PHE A 190 ? 0.1651 0.1856 0.1992 -0.0686 -0.0237 0.0273 270 PHE A N 1465 C CA . PHE A 190 ? 0.1688 0.1744 0.1613 -0.0712 -0.0204 0.0300 270 PHE A CA 1466 C C . PHE A 190 ? 0.1698 0.1806 0.1982 -0.0754 -0.0146 0.0326 270 PHE A C 1467 O O . PHE A 190 ? 0.1858 0.2013 0.1947 -0.0574 0.0116 -0.0037 270 PHE A O 1468 C CB . PHE A 190 ? 0.1714 0.1601 0.1737 -0.0556 0.0069 0.0120 270 PHE A CB 1469 C CG . PHE A 190 ? 0.1862 0.1768 0.1819 -0.0375 0.0046 -0.0094 270 PHE A CG 1470 C CD1 . PHE A 190 ? 0.1940 0.1785 0.1892 -0.0130 -0.0155 0.0073 270 PHE A CD1 1471 C CD2 . PHE A 190 ? 0.1889 0.1798 0.1904 -0.0195 -0.0022 -0.0023 270 PHE A CD2 1472 C CE1 . PHE A 190 ? 0.1892 0.1930 0.1842 -0.0328 -0.0162 0.0272 270 PHE A CE1 1473 C CE2 . PHE A 190 ? 0.1835 0.1861 0.2118 -0.0284 -0.0342 -0.0018 270 PHE A CE2 1474 C CZ . PHE A 190 ? 0.1819 0.1885 0.2136 -0.0198 -0.0253 -0.0062 270 PHE A CZ 1475 N N . GLN A 191 ? 0.1898 0.1900 0.2406 -0.0852 -0.0290 0.0020 271 GLN A N 1476 C CA . GLN A 191 ? 0.2129 0.2007 0.2372 -0.0890 -0.0226 0.0299 271 GLN A CA 1477 C C . GLN A 191 ? 0.1831 0.2053 0.2459 -0.0769 -0.0142 0.0249 271 GLN A C 1478 O O . GLN A 191 ? 0.1726 0.2285 0.2912 -0.0563 0.0199 0.0314 271 GLN A O 1479 C CB . GLN A 191 ? 0.2470 0.2315 0.3062 -0.0692 -0.0134 0.0678 271 GLN A CB 1480 C CG . GLN A 191 ? 0.3032 0.2783 0.4120 -0.0492 0.0039 0.0349 271 GLN A CG 1481 C CD . GLN A 191 ? 0.3609 0.3160 0.5106 -0.0268 0.0127 0.0020 271 GLN A CD 1482 O OE1 . GLN A 191 ? 0.3816 0.3366 0.5701 -0.0069 0.0173 -0.0048 271 GLN A OE1 1483 N NE2 . GLN A 191 ? 0.3916 0.3326 0.5215 -0.0166 0.0232 -0.0276 271 GLN A NE2 1484 N N . GLY A 192 ? 0.1814 0.1773 0.2145 -0.0718 -0.0290 0.0056 272 GLY A N 1485 C CA . GLY A 192 ? 0.1683 0.1631 0.2473 -0.0520 -0.0277 0.0201 272 GLY A CA 1486 C C . GLY A 192 ? 0.1618 0.1517 0.2150 -0.0449 -0.0202 0.0230 272 GLY A C 1487 O O . GLY A 192 ? 0.1881 0.1568 0.2234 -0.0429 -0.0127 0.0291 272 GLY A O 1488 N N . GLY A 193 ? 0.1387 0.1444 0.2203 -0.0356 0.0017 0.0171 273 GLY A N 1489 C CA . GLY A 193 ? 0.1125 0.1278 0.2083 -0.0236 0.0027 0.0240 273 GLY A CA 1490 C C . GLY A 193 ? 0.1292 0.1203 0.2041 -0.0347 0.0027 0.0326 273 GLY A C 1491 O O . GLY A 193 ? 0.1448 0.1381 0.2048 -0.0378 -0.0144 0.0150 273 GLY A O 1492 N N . HIS A 194 ? 0.1239 0.1326 0.1989 -0.0273 0.0022 0.0408 274 HIS A N 1493 C CA . HIS A 194 ? 0.1215 0.1375 0.1685 -0.0355 -0.0033 -0.0082 274 HIS A CA 1494 C C . HIS A 194 ? 0.1229 0.1425 0.1773 -0.0390 -0.0035 -0.0067 274 HIS A C 1495 O O . HIS A 194 ? 0.1446 0.1587 0.1950 -0.0323 -0.0097 -0.0020 274 HIS A O 1496 C CB . HIS A 194 ? 0.1281 0.1612 0.1527 -0.0307 0.0211 -0.0190 274 HIS A CB 1497 C CG . HIS A 194 ? 0.1431 0.1619 0.1555 -0.0132 0.0257 -0.0318 274 HIS A CG 1498 N ND1 . HIS A 194 ? 0.1521 0.1585 0.2093 -0.0086 0.0068 -0.0245 274 HIS A ND1 1499 C CD2 . HIS A 194 ? 0.1568 0.1610 0.1622 -0.0238 0.0018 -0.0172 274 HIS A CD2 1500 C CE1 . HIS A 194 ? 0.1664 0.1628 0.1936 -0.0140 0.0145 -0.0511 274 HIS A CE1 1501 N NE2 . HIS A 194 ? 0.1759 0.1631 0.1895 -0.0158 0.0017 -0.0132 274 HIS A NE2 1502 N N . ILE A 195 ? 0.1209 0.1430 0.1491 -0.0474 -0.0086 -0.0035 275 ILE A N 1503 C CA . ILE A 195 ? 0.1357 0.1484 0.1334 -0.0312 -0.0012 -0.0283 275 ILE A CA 1504 C C . ILE A 195 ? 0.1395 0.1384 0.1765 -0.0438 -0.0093 -0.0148 275 ILE A C 1505 O O . ILE A 195 ? 0.1537 0.1330 0.2211 -0.0495 -0.0130 -0.0219 275 ILE A O 1506 C CB . ILE A 195 ? 0.1626 0.1535 0.1821 -0.0489 -0.0013 -0.0347 275 ILE A CB 1507 C CG1 . ILE A 195 ? 0.1848 0.1862 0.1708 -0.0556 0.0546 -0.0242 275 ILE A CG1 1508 C CG2 . ILE A 195 ? 0.1752 0.1488 0.1897 -0.0484 -0.0307 -0.0307 275 ILE A CG2 1509 C CD1 . ILE A 195 ? 0.1895 0.2064 0.1612 -0.0617 0.0246 -0.0114 275 ILE A CD1 1510 N N . GLU A 196 ? 0.1340 0.1385 0.1838 -0.0533 0.0006 0.0051 276 GLU A N 1511 C CA . GLU A 196 ? 0.1702 0.1477 0.1954 -0.0517 -0.0117 -0.0166 276 GLU A CA 1512 C C . GLU A 196 ? 0.1426 0.1304 0.1458 -0.0522 -0.0092 -0.0346 276 GLU A C 1513 O O . GLU A 196 ? 0.1253 0.1395 0.1528 -0.0335 0.0251 -0.0047 276 GLU A O 1514 C CB . GLU A 196 ? 0.1910 0.1546 0.1951 -0.0594 0.0282 -0.0387 276 GLU A CB 1515 C CG . GLU A 196 ? 0.2033 0.1609 0.2615 -0.0464 -0.0212 -0.0500 276 GLU A CG 1516 C CD . GLU A 196 ? 0.1931 0.1989 0.3288 -0.0286 -0.0531 -0.0684 276 GLU A CD 1517 O OE1 . GLU A 196 ? 0.2108 0.2323 0.3304 -0.0170 -0.0696 -0.0392 276 GLU A OE1 1518 O OE2 . GLU A 196 ? 0.1906 0.1944 0.3087 -0.0002 -0.0468 -0.0774 276 GLU A OE2 1519 N N . GLU A 197 ? 0.1382 0.1077 0.1381 -0.0404 -0.0210 -0.0142 277 GLU A N 1520 C CA . GLU A 197 ? 0.1384 0.1056 0.0983 -0.0362 0.0143 0.0031 277 GLU A CA 1521 C C . GLU A 197 ? 0.1463 0.1020 0.1125 -0.0186 0.0149 0.0089 277 GLU A C 1522 O O . GLU A 197 ? 0.1582 0.0867 0.1240 -0.0181 -0.0177 0.0078 277 GLU A O 1523 C CB . GLU A 197 ? 0.1413 0.1087 0.0933 -0.0300 0.0104 -0.0064 277 GLU A CB 1524 C CG . GLU A 197 ? 0.1543 0.1334 0.1017 -0.0199 0.0341 0.0104 277 GLU A CG 1525 C CD . GLU A 197 ? 0.1704 0.1564 0.1313 0.0009 0.0411 -0.0080 277 GLU A CD 1526 O OE1 . GLU A 197 ? 0.1691 0.1545 0.1543 -0.0152 0.0198 -0.0017 277 GLU A OE1 1527 O OE2 . GLU A 197 ? 0.1967 0.1785 0.1356 -0.0020 0.0418 -0.0134 277 GLU A OE2 1528 N N . CYS A 198 ? 0.1309 0.1036 0.1116 -0.0294 0.0077 -0.0331 278 CYS A N 1529 C CA . CYS A 198 ? 0.1454 0.1033 0.1253 -0.0306 0.0292 -0.0338 278 CYS A CA 1530 C C . CYS A 198 ? 0.1428 0.0981 0.1259 -0.0257 0.0069 -0.0129 278 CYS A C 1531 O O . CYS A 198 ? 0.1456 0.1233 0.1306 -0.0242 0.0070 -0.0193 278 CYS A O 1532 C CB . CYS A 198 ? 0.1845 0.1144 0.1675 -0.0459 0.0127 -0.0001 278 CYS A CB 1533 S SG . CYS A 198 ? 0.2192 0.1606 0.2069 -0.0332 -0.0189 0.0019 278 CYS A SG 1534 N N . SER A 199 ? 0.1549 0.0837 0.1174 0.0019 0.0108 -0.0328 279 SER A N 1535 C CA . SER A 199 ? 0.1557 0.1149 0.0821 -0.0089 -0.0031 -0.0042 279 SER A CA 1536 C C . SER A 199 ? 0.1251 0.1433 0.0850 0.0046 0.0136 -0.0132 279 SER A C 1537 O O . SER A 199 ? 0.1071 0.1564 0.1326 0.0064 0.0176 -0.0077 279 SER A O 1538 C CB . SER A 199 ? 0.1629 0.1424 0.0905 -0.0060 0.0249 0.0199 279 SER A CB 1539 O OG . SER A 199 ? 0.1666 0.1434 0.1541 -0.0145 0.0402 -0.0014 279 SER A OG 1540 N N . CYS A 200 ? 0.1234 0.1553 0.0921 -0.0194 -0.0044 -0.0024 280 CYS A N 1541 C CA . CYS A 200 ? 0.1412 0.1518 0.1079 -0.0345 0.0004 -0.0081 280 CYS A CA 1542 C C . CYS A 200 ? 0.1383 0.1330 0.0670 -0.0214 0.0181 -0.0073 280 CYS A C 1543 O O . CYS A 200 ? 0.1425 0.1559 0.1487 -0.0239 0.0449 -0.0041 280 CYS A O 1544 C CB . CYS A 200 ? 0.1454 0.1431 0.1399 -0.0268 -0.0098 -0.0004 280 CYS A CB 1545 S SG . CYS A 200 ? 0.1388 0.1520 0.1746 -0.0283 0.0073 -0.0116 280 CYS A SG 1546 N N . TYR A 201 ? 0.1467 0.1202 0.0944 -0.0274 0.0099 -0.0148 281 TYR A N 1547 C CA . TYR A 201 ? 0.1522 0.1214 0.1080 -0.0234 0.0197 -0.0185 281 TYR A CA 1548 C C . TYR A 201 ? 0.1490 0.1207 0.1396 -0.0204 0.0335 -0.0383 281 TYR A C 1549 O O . TYR A 201 ? 0.1371 0.1275 0.1289 -0.0273 0.0313 -0.0155 281 TYR A O 1550 C CB . TYR A 201 ? 0.1263 0.1400 0.1434 -0.0031 0.0367 0.0142 281 TYR A CB 1551 C CG . TYR A 201 ? 0.1095 0.1410 0.1903 -0.0148 0.0210 0.0006 281 TYR A CG 1552 C CD1 . TYR A 201 ? 0.1045 0.1434 0.2145 -0.0109 0.0220 0.0163 281 TYR A CD1 1553 C CD2 . TYR A 201 ? 0.1236 0.1311 0.1503 -0.0034 0.0299 -0.0245 281 TYR A CD2 1554 C CE1 . TYR A 201 ? 0.0992 0.1585 0.1975 -0.0309 0.0476 0.0076 281 TYR A CE1 1555 C CE2 . TYR A 201 ? 0.1177 0.1448 0.1825 -0.0256 0.0205 -0.0268 281 TYR A CE2 1556 C CZ . TYR A 201 ? 0.1236 0.1657 0.1873 -0.0318 0.0318 -0.0174 281 TYR A CZ 1557 O OH . TYR A 201 ? 0.1317 0.1940 0.1934 -0.0344 0.0270 -0.0259 281 TYR A OH 1558 N N . PRO A 202 ? 0.1625 0.1521 0.1033 -0.0386 0.0122 -0.0311 282 PRO A N 1559 C CA . PRO A 202 ? 0.1582 0.1698 0.1188 -0.0299 0.0443 -0.0516 282 PRO A CA 1560 C C . PRO A 202 ? 0.1438 0.1807 0.1247 -0.0307 0.0406 -0.0129 282 PRO A C 1561 O O . PRO A 202 ? 0.1546 0.2053 0.1450 -0.0223 0.0170 -0.0239 282 PRO A O 1562 C CB . PRO A 202 ? 0.1682 0.1782 0.1456 -0.0416 0.0318 -0.0535 282 PRO A CB 1563 C CG . PRO A 202 ? 0.1724 0.1947 0.1402 -0.0391 0.0285 -0.0497 282 PRO A CG 1564 C CD . PRO A 202 ? 0.1542 0.1694 0.1396 -0.0529 0.0146 -0.0384 282 PRO A CD 1565 N N . ASN A 203 ? 0.1206 0.1759 0.1337 -0.0118 0.0373 -0.0109 283 ASN A N 1566 C CA . ASN A 203 ? 0.1490 0.1838 0.1290 -0.0189 0.0386 -0.0210 283 ASN A CA 1567 C C . ASN A 203 ? 0.1854 0.1907 0.1059 -0.0316 0.0592 -0.0259 283 ASN A C 1568 O O . ASN A 203 ? 0.2118 0.1932 0.1560 -0.0408 0.0464 -0.0272 283 ASN A O 1569 C CB . ASN A 203 ? 0.1422 0.1730 0.1658 -0.0143 0.0367 -0.0089 283 ASN A CB 1570 C CG . ASN A 203 ? 0.1689 0.1701 0.1619 -0.0062 0.0392 -0.0210 283 ASN A CG 1571 O OD1 . ASN A 203 ? 0.1809 0.1642 0.1399 -0.0237 0.0511 -0.0018 283 ASN A OD1 1572 N ND2 . ASN A 203 ? 0.1749 0.1618 0.1662 0.0215 0.0643 -0.0045 283 ASN A ND2 1573 N N . LEU A 204 ? 0.1996 0.2175 0.1018 -0.0211 0.0475 -0.0141 284 LEU A N 1574 C CA . LEU A 204 ? 0.2178 0.2332 0.1381 -0.0216 0.0732 -0.0118 284 LEU A CA 1575 C C . LEU A 204 ? 0.2090 0.2239 0.1372 -0.0240 0.0528 -0.0229 284 LEU A C 1576 O O . LEU A 204 ? 0.2118 0.2315 0.1746 -0.0213 0.0564 -0.0035 284 LEU A O 1577 C CB . LEU A 204 ? 0.2671 0.2606 0.1709 -0.0270 0.1204 -0.0086 284 LEU A CB 1578 C CG . LEU A 204 ? 0.3025 0.2844 0.2694 -0.0449 0.1516 -0.0139 284 LEU A CG 1579 C CD1 . LEU A 204 ? 0.3154 0.2861 0.2545 -0.0532 0.1598 -0.0269 284 LEU A CD1 1580 C CD2 . LEU A 204 ? 0.3085 0.3009 0.3102 -0.0468 0.1765 -0.0010 284 LEU A CD2 1581 N N . GLY A 205 ? 0.2047 0.2159 0.1403 -0.0126 0.0453 -0.0489 285 GLY A N 1582 C CA . GLY A 205 ? 0.2277 0.2186 0.1974 -0.0097 0.0573 -0.0361 285 GLY A CA 1583 C C . GLY A 205 ? 0.2337 0.2278 0.1791 -0.0218 0.0551 -0.0265 285 GLY A C 1584 O O . GLY A 205 ? 0.2576 0.2345 0.1918 -0.0219 0.0558 -0.0097 285 GLY A O 1585 N N . LYS A 206 ? 0.2311 0.2290 0.1138 -0.0312 0.0511 -0.0518 286 LYS A N 1586 C CA . LYS A 206 ? 0.2041 0.2244 0.1309 -0.0512 0.0566 -0.0212 286 LYS A CA 1587 C C . LYS A 206 ? 0.1841 0.2152 0.1362 -0.0224 0.0354 -0.0081 286 LYS A C 1588 O O . LYS A 206 ? 0.1948 0.2174 0.1482 -0.0207 0.0311 -0.0061 286 LYS A O 1589 C CB . LYS A 206 ? 0.2165 0.2341 0.1826 -0.0784 0.1043 -0.0151 286 LYS A CB 1590 C CG . LYS A 206 ? 0.2439 0.2585 0.2203 -0.1019 0.1134 -0.0074 286 LYS A CG 1591 C CD . LYS A 206 ? 0.2587 0.2742 0.2804 -0.1266 0.1399 0.0010 286 LYS A CD 1592 C CE . LYS A 206 ? 0.2810 0.3044 0.3669 -0.1224 0.1370 -0.0009 286 LYS A CE 1593 N NZ . LYS A 206 ? 0.2957 0.3274 0.4536 -0.1106 0.1204 -0.0215 286 LYS A NZ 1594 N N . VAL A 207 ? 0.1676 0.1899 0.0829 -0.0122 -0.0016 -0.0050 287 VAL A N 1595 C CA . VAL A 207 ? 0.1465 0.1896 0.0996 -0.0170 0.0044 -0.0186 287 VAL A CA 1596 C C . VAL A 207 ? 0.1447 0.1588 0.1047 -0.0301 -0.0054 0.0082 287 VAL A C 1597 O O . VAL A 207 ? 0.1471 0.1456 0.1272 -0.0429 -0.0055 0.0104 287 VAL A O 1598 C CB . VAL A 207 ? 0.1306 0.2197 0.0968 -0.0146 -0.0032 -0.0044 287 VAL A CB 1599 C CG1 . VAL A 207 ? 0.1279 0.2334 0.1315 -0.0145 0.0061 0.0024 287 VAL A CG1 1600 C CG2 . VAL A 207 ? 0.1327 0.2225 0.1583 -0.0065 -0.0228 -0.0202 287 VAL A CG2 1601 N N . GLU A 208 ? 0.1432 0.1581 0.1215 -0.0137 -0.0265 0.0151 288 GLU A N 1602 C CA . GLU A 208 ? 0.1468 0.1500 0.1307 -0.0163 0.0149 -0.0095 288 GLU A CA 1603 C C . GLU A 208 ? 0.1354 0.1414 0.1232 -0.0288 0.0359 -0.0085 288 GLU A C 1604 O O . GLU A 208 ? 0.1371 0.1270 0.1278 -0.0424 0.0505 0.0142 288 GLU A O 1605 C CB . GLU A 208 ? 0.1548 0.1567 0.1493 -0.0066 0.0378 -0.0074 288 GLU A CB 1606 C CG . GLU A 208 ? 0.1638 0.1684 0.1208 0.0233 0.0720 -0.0165 288 GLU A CG 1607 C CD . GLU A 208 ? 0.1706 0.1874 0.1532 0.0069 0.0586 0.0092 288 GLU A CD 1608 O OE1 . GLU A 208 ? 0.1747 0.1916 0.1380 0.0022 0.0257 0.0054 288 GLU A OE1 1609 O OE2 . GLU A 208 ? 0.1910 0.1933 0.1814 -0.0037 0.0437 0.0240 288 GLU A OE2 1610 N N . CYS A 209 ? 0.1370 0.1705 0.0979 -0.0253 0.0238 -0.0270 289 CYS A N 1611 C CA . CYS A 209 ? 0.1315 0.1588 0.1289 -0.0189 0.0079 -0.0093 289 CYS A CA 1612 C C . CYS A 209 ? 0.1115 0.1499 0.1454 -0.0191 -0.0018 -0.0039 289 CYS A C 1613 O O . CYS A 209 ? 0.1224 0.1582 0.1755 -0.0273 0.0022 0.0023 289 CYS A O 1614 C CB . CYS A 209 ? 0.1324 0.1434 0.1840 -0.0138 0.0049 -0.0057 289 CYS A CB 1615 S SG . CYS A 209 ? 0.1644 0.1615 0.1859 0.0024 -0.0083 -0.0169 289 CYS A SG 1616 N N . VAL A 210 ? 0.1308 0.1424 0.1203 -0.0058 -0.0076 -0.0145 290 VAL A N 1617 C CA . VAL A 210 ? 0.1334 0.1466 0.1236 -0.0069 0.0064 -0.0270 290 VAL A CA 1618 C C . VAL A 210 ? 0.1256 0.1285 0.1384 -0.0291 0.0007 -0.0305 290 VAL A C 1619 O O . VAL A 210 ? 0.1214 0.1408 0.1394 -0.0226 -0.0036 0.0091 290 VAL A O 1620 C CB . VAL A 210 ? 0.1265 0.1688 0.1359 0.0024 0.0110 -0.0283 290 VAL A CB 1621 C CG1 . VAL A 210 ? 0.1424 0.1948 0.1384 -0.0161 -0.0188 -0.0431 290 VAL A CG1 1622 C CG2 . VAL A 210 ? 0.1379 0.1974 0.1601 0.0145 0.0231 -0.0290 290 VAL A CG2 1623 N N . CYS A 211 ? 0.1369 0.1348 0.1101 -0.0135 0.0159 -0.0342 291 CYS A N 1624 C CA . CYS A 211 ? 0.1446 0.1400 0.0985 -0.0085 0.0158 -0.0164 291 CYS A CA 1625 C C . CYS A 211 ? 0.1275 0.1303 0.1232 -0.0249 0.0018 -0.0079 291 CYS A C 1626 O O . CYS A 211 ? 0.1326 0.1443 0.1287 -0.0115 -0.0103 -0.0085 291 CYS A O 1627 C CB . CYS A 211 ? 0.1610 0.1577 0.0911 -0.0075 0.0432 -0.0002 291 CYS A CB 1628 S SG . CYS A 211 ? 0.1919 0.1850 0.1621 0.0119 0.0051 -0.0004 291 CYS A SG 1629 N N . ARG A 212 ? 0.1416 0.1272 0.1207 -0.0368 0.0008 -0.0157 292 ARG A N 1630 C CA . ARG A 212 ? 0.1364 0.1246 0.1443 -0.0188 0.0211 -0.0228 292 ARG A CA 1631 C C . ARG A 212 ? 0.1219 0.1263 0.1780 -0.0429 0.0023 -0.0408 292 ARG A C 1632 O O . ARG A 212 ? 0.1338 0.1389 0.1866 -0.0228 0.0148 -0.0416 292 ARG A O 1633 C CB . ARG A 212 ? 0.1366 0.1368 0.1013 -0.0055 0.0453 -0.0200 292 ARG A CB 1634 C CG . ARG A 212 ? 0.1412 0.1472 0.1220 -0.0003 0.0301 -0.0363 292 ARG A CG 1635 C CD . ARG A 212 ? 0.1666 0.1559 0.0834 0.0018 0.0155 -0.0342 292 ARG A CD 1636 N NE . ARG A 212 ? 0.1436 0.1670 0.1446 0.0045 -0.0049 -0.0256 292 ARG A NE 1637 C CZ . ARG A 212 ? 0.1673 0.1740 0.1493 0.0094 -0.0143 -0.0198 292 ARG A CZ 1638 N NH1 . ARG A 212 ? 0.1553 0.1480 0.1276 0.0021 -0.0112 -0.0016 292 ARG A NH1 1639 N NH2 . ARG A 212 ? 0.1755 0.1773 0.1460 0.0057 0.0014 -0.0112 292 ARG A NH2 1640 N N . ASP A 213 ? 0.1438 0.1479 0.1536 -0.0402 -0.0203 -0.0071 293 ASP A N 1641 C CA . ASP A 213 ? 0.1328 0.1546 0.1641 -0.0317 -0.0049 -0.0111 293 ASP A CA 1642 C C . ASP A 213 ? 0.1268 0.1486 0.1545 -0.0372 -0.0144 0.0073 293 ASP A C 1643 O O . ASP A 213 ? 0.1138 0.1415 0.1707 -0.0094 -0.0128 -0.0303 293 ASP A O 1644 C CB . ASP A 213 ? 0.1363 0.1679 0.1806 -0.0479 -0.0357 -0.0268 293 ASP A CB 1645 C CG . ASP A 213 ? 0.1641 0.1791 0.1835 -0.0367 -0.0152 -0.0029 293 ASP A CG 1646 O OD1 . ASP A 213 ? 0.1641 0.1875 0.1691 -0.0404 -0.0091 -0.0173 293 ASP A OD1 1647 O OD2 . ASP A 213 ? 0.1911 0.1610 0.2223 -0.0431 0.0008 -0.0302 293 ASP A OD2 1648 N N . ASN A 214 ? 0.1298 0.1681 0.1485 -0.0495 -0.0020 -0.0327 294 ASN A N 1649 C CA . ASN A 214 ? 0.1346 0.1761 0.1548 -0.0364 -0.0055 -0.0367 294 ASN A CA 1650 C C . ASN A 214 ? 0.1314 0.1770 0.1486 -0.0151 -0.0007 -0.0326 294 ASN A C 1651 O O . ASN A 214 ? 0.1298 0.1803 0.1665 -0.0207 0.0073 -0.0269 294 ASN A O 1652 C CB . ASN A 214 ? 0.1291 0.1966 0.1898 -0.0393 0.0155 -0.0435 294 ASN A CB 1653 C CG . ASN A 214 ? 0.1453 0.1992 0.2223 -0.0219 -0.0112 -0.0211 294 ASN A CG 1654 O OD1 . ASN A 214 ? 0.1585 0.2012 0.2176 -0.0380 -0.0084 0.0140 294 ASN A OD1 1655 N ND2 . ASN A 214 ? 0.1433 0.1993 0.2198 -0.0072 -0.0043 -0.0318 294 ASN A ND2 1656 N N . TRP A 215 ? 0.1402 0.1463 0.1676 -0.0281 -0.0034 -0.0249 295 TRP A N 1657 C CA . TRP A 215 ? 0.1541 0.1550 0.1575 -0.0265 -0.0201 0.0078 295 TRP A CA 1658 C C . TRP A 215 ? 0.1590 0.1607 0.1649 -0.0237 -0.0227 0.0024 295 TRP A C 1659 O O . TRP A 215 ? 0.1955 0.2007 0.1746 -0.0302 -0.0040 0.0018 295 TRP A O 1660 C CB . TRP A 215 ? 0.1608 0.1370 0.2152 -0.0415 -0.0145 -0.0023 295 TRP A CB 1661 C CG . TRP A 215 ? 0.1657 0.1383 0.1832 -0.0408 -0.0190 -0.0278 295 TRP A CG 1662 C CD1 . TRP A 215 ? 0.1611 0.1313 0.2361 -0.0655 -0.0036 -0.0283 295 TRP A CD1 1663 C CD2 . TRP A 215 ? 0.1733 0.1416 0.2406 -0.0336 -0.0176 -0.0099 295 TRP A CD2 1664 N NE1 . TRP A 215 ? 0.1783 0.1466 0.2506 -0.0431 -0.0367 -0.0098 295 TRP A NE1 1665 C CE2 . TRP A 215 ? 0.1868 0.1509 0.2649 -0.0365 -0.0121 -0.0034 295 TRP A CE2 1666 C CE3 . TRP A 215 ? 0.1680 0.1519 0.2453 -0.0301 -0.0105 0.0034 295 TRP A CE3 1667 C CZ2 . TRP A 215 ? 0.2012 0.1606 0.2738 -0.0182 -0.0060 -0.0059 295 TRP A CZ2 1668 C CZ3 . TRP A 215 ? 0.1811 0.1561 0.2736 -0.0164 -0.0012 0.0032 295 TRP A CZ3 1669 C CH2 . TRP A 215 ? 0.1909 0.1592 0.2963 -0.0221 -0.0006 0.0098 295 TRP A CH2 1670 N N . ASN A 216 ? 0.1439 0.1583 0.2003 -0.0216 -0.0207 -0.0072 296 ASN A N 1671 C CA . ASN A 216 ? 0.1577 0.1529 0.2225 -0.0354 -0.0290 -0.0113 296 ASN A CA 1672 C C . ASN A 216 ? 0.1538 0.1598 0.2002 -0.0280 -0.0435 -0.0312 296 ASN A C 1673 O O . ASN A 216 ? 0.1717 0.1865 0.2343 -0.0005 -0.0339 -0.0409 296 ASN A O 1674 C CB . ASN A 216 ? 0.1748 0.1474 0.2674 -0.0356 -0.0337 -0.0194 296 ASN A CB 1675 C CG . ASN A 216 ? 0.1900 0.1760 0.2804 -0.0152 -0.0629 -0.0155 296 ASN A CG 1676 O OD1 . ASN A 216 ? 0.2139 0.2048 0.3178 -0.0194 -0.0680 -0.0129 296 ASN A OD1 1677 N ND2 . ASN A 216 ? 0.1865 0.1918 0.2477 0.0073 -0.0556 -0.0128 296 ASN A ND2 1678 N N . GLY A 217 ? 0.1511 0.1475 0.1737 -0.0299 0.0061 -0.0256 297 GLY A N 1679 C CA . GLY A 217 ? 0.1395 0.1421 0.1831 -0.0196 -0.0045 -0.0129 297 GLY A CA 1680 C C . GLY A 217 ? 0.1309 0.1588 0.1911 -0.0178 -0.0116 -0.0331 297 GLY A C 1681 O O . GLY A 217 ? 0.1399 0.1550 0.1672 -0.0146 -0.0133 -0.0072 297 GLY A O 1682 N N . MET A 218 ? 0.1487 0.1555 0.1765 -0.0084 -0.0087 -0.0061 298 MET A N 1683 C CA . MET A 218 ? 0.1229 0.1687 0.1855 -0.0319 -0.0279 -0.0256 298 MET A CA 1684 C C . MET A 218 ? 0.1275 0.1616 0.2058 -0.0442 -0.0371 -0.0172 298 MET A C 1685 O O . MET A 218 ? 0.1371 0.1638 0.1987 -0.0289 -0.0251 0.0099 298 MET A O 1686 C CB . MET A 218 ? 0.1014 0.1823 0.2341 -0.0051 -0.0227 -0.0093 298 MET A CB 1687 C CG . MET A 218 ? 0.0833 0.1990 0.2245 -0.0159 -0.0208 -0.0138 298 MET A CG 1688 S SD . MET A 218 ? 0.1405 0.2179 0.2467 -0.0179 -0.0463 -0.0138 298 MET A SD 1689 C CE . MET A 218 ? 0.1188 0.2186 0.2426 -0.0316 -0.0722 -0.0110 298 MET A CE 1690 N N . ASN A 219 ? 0.1083 0.1878 0.1766 -0.0294 -0.0024 -0.0286 299 ASN A N 1691 C CA . ASN A 219 ? 0.1045 0.1720 0.1869 -0.0292 -0.0052 -0.0066 299 ASN A CA 1692 C C . ASN A 219 ? 0.1093 0.1692 0.1737 -0.0280 -0.0220 -0.0083 299 ASN A C 1693 O O . ASN A 219 ? 0.1185 0.1844 0.1757 -0.0167 -0.0075 -0.0188 299 ASN A O 1694 C CB . ASN A 219 ? 0.1229 0.1840 0.2090 -0.0329 0.0188 -0.0036 299 ASN A CB 1695 C CG . ASN A 219 ? 0.1360 0.1969 0.1857 -0.0351 0.0273 0.0037 299 ASN A CG 1696 O OD1 . ASN A 219 ? 0.1464 0.1901 0.2073 -0.0377 0.0055 -0.0336 299 ASN A OD1 1697 N ND2 . ASN A 219 ? 0.1380 0.1927 0.1953 -0.0525 0.0120 -0.0177 299 ASN A ND2 1698 N N . ARG A 220 ? 0.1179 0.1597 0.1568 -0.0281 -0.0468 -0.0215 300 ARG A N 1699 C CA . ARG A 220 ? 0.1194 0.1347 0.1692 -0.0481 -0.0128 -0.0091 300 ARG A CA 1700 C C . ARG A 220 ? 0.1268 0.1456 0.1698 -0.0258 0.0079 0.0008 300 ARG A C 1701 O O . ARG A 220 ? 0.1353 0.1653 0.1751 -0.0115 0.0064 -0.0110 300 ARG A O 1702 C CB . ARG A 220 ? 0.1365 0.1364 0.1683 -0.0437 -0.0040 -0.0123 300 ARG A CB 1703 C CG . ARG A 220 ? 0.1267 0.1331 0.1385 -0.0444 0.0168 -0.0047 300 ARG A CG 1704 C CD . ARG A 220 ? 0.1242 0.1445 0.1448 -0.0477 0.0286 -0.0084 300 ARG A CD 1705 N NE . ARG A 220 ? 0.1249 0.1402 0.1229 -0.0232 0.0390 0.0186 300 ARG A NE 1706 C CZ . ARG A 220 ? 0.1228 0.1324 0.1303 -0.0264 0.0364 0.0031 300 ARG A CZ 1707 N NH1 . ARG A 220 ? 0.1336 0.1461 0.1535 -0.0028 0.0091 0.0099 300 ARG A NH1 1708 N NH2 . ARG A 220 ? 0.1203 0.1265 0.1554 -0.0229 -0.0197 -0.0079 300 ARG A NH2 1709 N N . PRO A 221 ? 0.1379 0.1331 0.1356 -0.0240 0.0138 -0.0006 301 PRO A N 1710 C CA . PRO A 221 ? 0.1414 0.1500 0.1396 -0.0277 0.0176 -0.0167 301 PRO A CA 1711 C C . PRO A 221 ? 0.1294 0.1486 0.1689 -0.0446 -0.0067 -0.0051 301 PRO A C 1712 O O . PRO A 221 ? 0.1429 0.1592 0.1794 -0.0464 0.0060 0.0023 301 PRO A O 1713 C CB . PRO A 221 ? 0.1476 0.1716 0.1588 -0.0095 0.0285 -0.0300 301 PRO A CB 1714 C CG . PRO A 221 ? 0.1638 0.1800 0.1630 0.0046 0.0135 -0.0472 301 PRO A CG 1715 C CD . PRO A 221 ? 0.1457 0.1416 0.1709 -0.0173 0.0145 -0.0254 301 PRO A CD 1716 N N . ILE A 222 ? 0.1393 0.1615 0.1439 -0.0368 -0.0280 -0.0062 302 ILE A N 1717 C CA . ILE A 222 ? 0.1363 0.1678 0.1397 -0.0314 -0.0148 -0.0040 302 ILE A CA 1718 C C . ILE A 222 ? 0.1444 0.1679 0.1709 -0.0396 -0.0113 0.0189 302 ILE A C 1719 O O . ILE A 222 ? 0.1862 0.1828 0.2279 -0.0526 -0.0487 0.0253 302 ILE A O 1720 C CB . ILE A 222 ? 0.1657 0.2067 0.1723 0.0152 -0.0703 -0.0349 302 ILE A CB 1721 C CG1 . ILE A 222 ? 0.1874 0.2308 0.2654 0.0064 -0.0538 -0.0159 302 ILE A CG1 1722 C CG2 . ILE A 222 ? 0.1716 0.2342 0.2591 -0.0051 -0.0272 -0.0431 302 ILE A CG2 1723 C CD1 . ILE A 222 ? 0.1920 0.2515 0.3191 -0.0006 -0.0641 -0.0009 302 ILE A CD1 1724 N N . LEU A 223 ? 0.1224 0.1636 0.1566 -0.0020 -0.0155 0.0265 303 LEU A N 1725 C CA . LEU A 223 ? 0.1458 0.1621 0.1633 0.0040 -0.0081 0.0129 303 LEU A CA 1726 C C . LEU A 223 ? 0.1475 0.1526 0.1384 -0.0237 -0.0112 0.0236 303 LEU A C 1727 O O . LEU A 223 ? 0.1657 0.1353 0.1796 -0.0572 -0.0084 0.0186 303 LEU A O 1728 C CB . LEU A 223 ? 0.1370 0.1639 0.1799 0.0157 0.0199 0.0182 303 LEU A CB 1729 C CG . LEU A 223 ? 0.1313 0.1512 0.1745 0.0208 0.0152 0.0331 303 LEU A CG 1730 C CD1 . LEU A 223 ? 0.1555 0.1469 0.1909 0.0260 0.0270 0.0484 303 LEU A CD1 1731 C CD2 . LEU A 223 ? 0.1288 0.1636 0.2447 0.0087 0.0042 0.0249 303 LEU A CD2 1732 N N . ILE A 224 ? 0.1471 0.1487 0.1319 -0.0301 0.0032 0.0286 304 ILE A N 1733 C CA . ILE A 224 ? 0.1359 0.1631 0.1289 -0.0118 0.0279 0.0154 304 ILE A CA 1734 C C . ILE A 224 ? 0.1411 0.1737 0.1402 -0.0115 0.0035 0.0235 304 ILE A C 1735 O O . ILE A 224 ? 0.1550 0.1920 0.1832 -0.0290 0.0190 0.0455 304 ILE A O 1736 C CB . ILE A 224 ? 0.1452 0.1746 0.1814 -0.0175 0.0110 0.0142 304 ILE A CB 1737 C CG1 . ILE A 224 ? 0.1569 0.2070 0.2049 -0.0030 0.0087 0.0037 304 ILE A CG1 1738 C CG2 . ILE A 224 ? 0.1473 0.1566 0.2113 -0.0393 0.0250 -0.0054 304 ILE A CG2 1739 C CD1 . ILE A 224 ? 0.1874 0.2414 0.2831 0.0010 0.0126 0.0171 304 ILE A CD1 1740 N N . PHE A 225 ? 0.1480 0.1827 0.1217 0.0036 0.0136 0.0133 305 PHE A N 1741 C CA . PHE A 225 ? 0.1662 0.1782 0.1187 -0.0249 -0.0061 0.0126 305 PHE A CA 1742 C C . PHE A 225 ? 0.1824 0.1952 0.1161 -0.0347 -0.0166 0.0286 305 PHE A C 1743 O O . PHE A 225 ? 0.2029 0.1805 0.1487 -0.0267 -0.0104 0.0171 305 PHE A O 1744 C CB . PHE A 225 ? 0.1307 0.1929 0.1355 -0.0450 0.0106 0.0045 305 PHE A CB 1745 C CG . PHE A 225 ? 0.1308 0.2037 0.1237 -0.0407 0.0120 0.0368 305 PHE A CG 1746 C CD1 . PHE A 225 ? 0.1320 0.2169 0.1845 -0.0305 0.0278 0.0315 305 PHE A CD1 1747 C CD2 . PHE A 225 ? 0.1208 0.2016 0.1443 -0.0367 0.0191 0.0380 305 PHE A CD2 1748 C CE1 . PHE A 225 ? 0.1389 0.2220 0.1701 -0.0371 0.0087 0.0321 305 PHE A CE1 1749 C CE2 . PHE A 225 ? 0.1151 0.2031 0.1630 -0.0353 -0.0142 0.0143 305 PHE A CE2 1750 C CZ . PHE A 225 ? 0.1343 0.2164 0.1610 -0.0262 -0.0038 0.0056 305 PHE A CZ 1751 N N . ASP A 226 ? 0.1890 0.2084 0.1020 -0.0350 -0.0172 0.0276 306 ASP A N 1752 C CA . ASP A 226 ? 0.1845 0.2275 0.1378 -0.0513 0.0000 0.0169 306 ASP A CA 1753 C C . ASP A 226 ? 0.1861 0.2198 0.1322 -0.0547 0.0112 0.0242 306 ASP A C 1754 O O . ASP A 226 ? 0.1828 0.2134 0.1308 -0.0438 0.0331 0.0219 306 ASP A O 1755 C CB . ASP A 226 ? 0.1807 0.2361 0.1730 -0.0668 0.0318 0.0398 306 ASP A CB 1756 C CG . ASP A 226 ? 0.1800 0.2678 0.1981 -0.0731 0.0427 0.0291 306 ASP A CG 1757 O OD1 . ASP A 226 ? 0.1706 0.2669 0.1787 -0.0691 0.0144 0.0289 306 ASP A OD1 1758 O OD2 . ASP A 226 ? 0.2094 0.2928 0.2624 -0.0609 0.0572 0.0160 306 ASP A OD2 1759 N N . GLU A 227 ? 0.1730 0.2380 0.1351 -0.0581 -0.0081 0.0124 308 GLU A N 1760 C CA . GLU A 227 ? 0.1921 0.2693 0.1185 -0.0381 -0.0057 0.0055 308 GLU A CA 1761 C C . GLU A 227 ? 0.1851 0.2579 0.1317 -0.0327 0.0002 0.0178 308 GLU A C 1762 O O . GLU A 227 ? 0.1743 0.2643 0.1843 -0.0290 0.0384 0.0321 308 GLU A O 1763 C CB . GLU A 227 ? 0.2350 0.3134 0.1193 -0.0335 0.0301 -0.0239 308 GLU A CB 1764 C CG . GLU A 227 ? 0.2875 0.3761 0.1496 -0.0154 0.0670 -0.0461 308 GLU A CG 1765 C CD . GLU A 227 ? 0.3326 0.4267 0.2253 -0.0046 0.0644 -0.0282 308 GLU A CD 1766 O OE1 . GLU A 227 ? 0.3539 0.4394 0.2868 0.0101 0.0819 -0.0110 308 GLU A OE1 1767 O OE2 . GLU A 227 ? 0.3523 0.4577 0.2755 -0.0048 0.0312 -0.0572 308 GLU A OE2 1768 N N . ASP A 228 ? 0.1908 0.2423 0.1293 -0.0349 0.0079 0.0378 309 ASP A N 1769 C CA . ASP A 228 ? 0.2114 0.2499 0.1555 -0.0274 0.0254 0.0596 309 ASP A CA 1770 C C . ASP A 228 ? 0.2050 0.2143 0.1677 -0.0252 0.0125 0.0216 309 ASP A C 1771 O O . ASP A 228 ? 0.2113 0.2019 0.1930 -0.0153 0.0135 0.0222 309 ASP A O 1772 C CB . ASP A 228 ? 0.2315 0.2801 0.1624 -0.0377 0.0202 0.0781 309 ASP A CB 1773 C CG . ASP A 228 ? 0.2461 0.3260 0.1872 -0.0380 0.0064 0.0877 309 ASP A CG 1774 O OD1 . ASP A 228 ? 0.2540 0.3180 0.2200 -0.0480 0.0107 0.0965 309 ASP A OD1 1775 O OD2 . ASP A 228 ? 0.2523 0.3719 0.2113 -0.0172 -0.0149 0.0739 309 ASP A OD2 1776 N N . LEU A 229 ? 0.1883 0.2191 0.1200 -0.0365 0.0221 0.0264 310 LEU A N 1777 C CA . LEU A 229 ? 0.1781 0.2145 0.1606 -0.0259 0.0073 0.0108 310 LEU A CA 1778 C C . LEU A 229 ? 0.1967 0.2259 0.1705 -0.0451 0.0139 0.0178 310 LEU A C 1779 O O . LEU A 229 ? 0.2004 0.2391 0.1972 -0.0704 -0.0033 -0.0250 310 LEU A O 1780 C CB . LEU A 229 ? 0.1593 0.2042 0.1520 -0.0313 0.0314 0.0097 310 LEU A CB 1781 C CG . LEU A 229 ? 0.1650 0.1787 0.2074 -0.0322 0.0118 0.0256 310 LEU A CG 1782 C CD1 . LEU A 229 ? 0.1631 0.1692 0.2087 -0.0217 0.0094 0.0004 310 LEU A CD1 1783 C CD2 . LEU A 229 ? 0.1778 0.1659 0.2227 -0.0435 0.0027 0.0410 310 LEU A CD2 1784 N N . ASP A 230 ? 0.1928 0.2271 0.1537 -0.0360 0.0217 0.0589 311 ASP A N 1785 C CA . ASP A 230 ? 0.2106 0.2320 0.1543 -0.0410 0.0327 0.0489 311 ASP A CA 1786 C C . ASP A 230 ? 0.2015 0.2025 0.1371 -0.0533 0.0081 0.0373 311 ASP A C 1787 O O . ASP A 230 ? 0.2245 0.2115 0.1713 -0.0610 -0.0204 0.0407 311 ASP A O 1788 C CB . ASP A 230 ? 0.2610 0.2722 0.2111 -0.0476 0.0660 0.0715 311 ASP A CB 1789 C CG . ASP A 230 ? 0.3278 0.3143 0.2615 -0.0286 0.0951 0.0633 311 ASP A CG 1790 O OD1 . ASP A 230 ? 0.3584 0.3189 0.2905 -0.0171 0.0924 0.0863 311 ASP A OD1 1791 O OD2 . ASP A 230 ? 0.3413 0.3278 0.2945 -0.0445 0.1073 0.0737 311 ASP A OD2 1792 N N . TYR A 231 ? 0.1815 0.1954 0.1320 -0.0529 -0.0096 0.0278 312 TYR A N 1793 C CA . TYR A 231 ? 0.1786 0.2044 0.1346 -0.0593 -0.0066 0.0093 312 TYR A CA 1794 C C . TYR A 231 ? 0.1760 0.2173 0.1635 -0.0703 0.0094 0.0020 312 TYR A C 1795 O O . TYR A 231 ? 0.1579 0.2135 0.2059 -0.0627 0.0195 -0.0002 312 TYR A O 1796 C CB . TYR A 231 ? 0.1795 0.1988 0.1383 -0.0564 0.0246 -0.0033 312 TYR A CB 1797 C CG . TYR A 231 ? 0.2132 0.1988 0.1607 -0.0488 0.0068 0.0020 312 TYR A CG 1798 C CD1 . TYR A 231 ? 0.2242 0.2032 0.1543 -0.0332 0.0076 0.0109 312 TYR A CD1 1799 C CD2 . TYR A 231 ? 0.2143 0.1908 0.1374 -0.0326 0.0149 0.0067 312 TYR A CD2 1800 C CE1 . TYR A 231 ? 0.2245 0.1957 0.1505 -0.0237 0.0306 0.0044 312 TYR A CE1 1801 C CE2 . TYR A 231 ? 0.2407 0.1941 0.1291 -0.0300 0.0152 -0.0124 312 TYR A CE2 1802 C CZ . TYR A 231 ? 0.2439 0.1915 0.1341 -0.0284 0.0319 -0.0250 312 TYR A CZ 1803 O OH . TYR A 231 ? 0.2730 0.1869 0.1682 -0.0421 0.0093 -0.0261 312 TYR A OH 1804 N N . GLU A 232 ? 0.1824 0.2511 0.1549 -0.0586 -0.0088 -0.0042 313 GLU A N 1805 C CA . GLU A 232 ? 0.1972 0.2772 0.1588 -0.0490 0.0125 -0.0055 313 GLU A CA 1806 C C . GLU A 232 ? 0.1868 0.2277 0.1595 -0.0584 0.0169 0.0069 313 GLU A C 1807 O O . GLU A 232 ? 0.1798 0.2119 0.1865 -0.0805 0.0232 0.0046 313 GLU A O 1808 C CB . GLU A 232 ? 0.2406 0.3639 0.1924 -0.0092 0.0062 -0.0257 313 GLU A CB 1809 C CG . GLU A 232 ? 0.2900 0.4323 0.3382 0.0199 -0.0165 -0.0479 313 GLU A CG 1810 C CD . GLU A 232 ? 0.3226 0.4779 0.4589 0.0441 -0.0408 -0.0886 313 GLU A CD 1811 O OE1 . GLU A 232 ? 0.3275 0.4909 0.5198 0.0520 -0.0342 -0.0918 313 GLU A OE1 1812 O OE2 . GLU A 232 ? 0.3546 0.5033 0.5368 0.0482 -0.0446 -0.1031 313 GLU A OE2 1813 N N . VAL A 233 ? 0.1906 0.2024 0.1677 -0.0552 0.0327 0.0215 314 VAL A N 1814 C CA . VAL A 233 ? 0.1653 0.1901 0.1585 -0.0504 0.0460 0.0208 314 VAL A CA 1815 C C . VAL A 233 ? 0.1646 0.1991 0.1617 -0.0466 0.0239 0.0483 314 VAL A C 1816 O O . VAL A 233 ? 0.1788 0.2267 0.1829 -0.0316 0.0137 0.0716 314 VAL A O 1817 C CB . VAL A 233 ? 0.1730 0.1610 0.1868 -0.0377 0.0529 0.0208 314 VAL A CB 1818 C CG1 . VAL A 233 ? 0.1893 0.1575 0.2255 -0.0455 0.0382 0.0062 314 VAL A CG1 1819 C CG2 . VAL A 233 ? 0.1782 0.1831 0.2136 -0.0220 0.0198 0.0245 314 VAL A CG2 1820 N N . GLY A 234 ? 0.1508 0.1980 0.1667 -0.0164 -0.0175 0.0264 315 GLY A N 1821 C CA . GLY A 234 ? 0.1499 0.1729 0.1527 -0.0484 -0.0244 0.0348 315 GLY A CA 1822 C C . GLY A 234 ? 0.1472 0.1521 0.1892 -0.0244 -0.0077 0.0139 315 GLY A C 1823 O O . GLY A 234 ? 0.1292 0.1459 0.1790 -0.0197 -0.0082 0.0089 315 GLY A O 1824 N N . TYR A 235 ? 0.1380 0.1397 0.1924 -0.0226 0.0062 0.0057 316 TYR A N 1825 C CA . TYR A 235 ? 0.1356 0.1617 0.1686 -0.0192 0.0272 -0.0002 316 TYR A CA 1826 C C . TYR A 235 ? 0.1218 0.1531 0.1979 -0.0225 0.0210 -0.0084 316 TYR A C 1827 O O . TYR A 235 ? 0.1251 0.1800 0.1881 -0.0312 0.0455 -0.0113 316 TYR A O 1828 C CB . TYR A 235 ? 0.1442 0.1785 0.1469 -0.0047 0.0024 0.0130 316 TYR A CB 1829 C CG . TYR A 235 ? 0.1337 0.1668 0.1603 0.0078 0.0212 -0.0073 316 TYR A CG 1830 C CD1 . TYR A 235 ? 0.1364 0.1650 0.1649 0.0080 -0.0100 0.0053 316 TYR A CD1 1831 C CD2 . TYR A 235 ? 0.1250 0.1806 0.1517 0.0052 0.0433 -0.0088 316 TYR A CD2 1832 C CE1 . TYR A 235 ? 0.1629 0.1880 0.1447 0.0175 -0.0140 -0.0049 316 TYR A CE1 1833 C CE2 . TYR A 235 ? 0.1407 0.1609 0.1788 0.0316 -0.0020 -0.0306 316 TYR A CE2 1834 C CZ . TYR A 235 ? 0.1776 0.1856 0.1577 0.0199 -0.0036 -0.0060 316 TYR A CZ 1835 O OH . TYR A 235 ? 0.2045 0.2075 0.1785 0.0302 -0.0023 0.0019 316 TYR A OH 1836 N N . LEU A 236 ? 0.1121 0.1502 0.2050 -0.0047 0.0037 -0.0118 317 LEU A N 1837 C CA . LEU A 236 ? 0.1284 0.1439 0.2470 -0.0071 0.0383 0.0087 317 LEU A CA 1838 C C . LEU A 236 ? 0.1384 0.1821 0.2451 0.0024 0.0434 0.0188 317 LEU A C 1839 O O . LEU A 236 ? 0.1495 0.2128 0.2562 -0.0031 0.0438 -0.0046 317 LEU A O 1840 C CB . LEU A 236 ? 0.1330 0.1212 0.2382 -0.0175 0.0375 0.0078 317 LEU A CB 1841 C CG . LEU A 236 ? 0.1789 0.1332 0.2298 -0.0443 -0.0113 -0.0014 317 LEU A CG 1842 C CD1 . LEU A 236 ? 0.2119 0.1528 0.2203 -0.0247 -0.0089 0.0159 317 LEU A CD1 1843 C CD2 . LEU A 236 ? 0.1967 0.1432 0.2466 -0.0691 -0.0094 0.0060 317 LEU A CD2 1844 N N . CYS A 237 ? 0.1266 0.1805 0.2468 0.0246 0.0677 0.0075 318 CYS A N 1845 C CA . CYS A 237 ? 0.1498 0.2197 0.2681 0.0033 0.0454 0.0038 318 CYS A CA 1846 C C . CYS A 237 ? 0.1505 0.2130 0.2402 0.0112 0.0316 -0.0064 318 CYS A C 1847 O O . CYS A 237 ? 0.1516 0.2243 0.2750 -0.0041 0.0260 -0.0129 318 CYS A O 1848 C CB . CYS A 237 ? 0.1710 0.2459 0.2697 -0.0203 0.0444 0.0176 318 CYS A CB 1849 S SG . CYS A 237 ? 0.2169 0.2824 0.3856 -0.0418 0.0308 0.0093 318 CYS A SG 1850 N N . ALA A 238 ? 0.1526 0.2038 0.2294 -0.0021 0.0235 0.0046 319 ALA A N 1851 C CA . ALA A 238 ? 0.1453 0.1883 0.2394 -0.0239 0.0012 0.0126 319 ALA A CA 1852 C C . ALA A 238 ? 0.1314 0.1938 0.2540 -0.0140 -0.0140 -0.0062 319 ALA A C 1853 O O . ALA A 238 ? 0.1372 0.1907 0.2699 -0.0211 -0.0239 -0.0174 319 ALA A O 1854 C CB . ALA A 238 ? 0.1440 0.1657 0.2521 -0.0521 0.0131 0.0132 319 ALA A CB 1855 N N . GLY A 239 ? 0.1147 0.2139 0.2667 -0.0233 -0.0222 -0.0117 320 GLY A N 1856 C CA . GLY A 239 ? 0.1391 0.2195 0.2763 -0.0211 -0.0141 0.0107 320 GLY A CA 1857 C C . GLY A 239 ? 0.1455 0.2146 0.2497 -0.0128 -0.0077 0.0013 320 GLY A C 1858 O O . GLY A 239 ? 0.1547 0.2173 0.2913 -0.0108 -0.0273 -0.0024 320 GLY A O 1859 N N . ILE A 240 ? 0.1485 0.2193 0.2268 -0.0270 0.0257 -0.0018 321 ILE A N 1860 C CA . ILE A 240 ? 0.1428 0.2194 0.2555 -0.0115 0.0149 -0.0076 321 ILE A CA 1861 C C . ILE A 240 ? 0.1154 0.2187 0.2280 -0.0090 0.0160 -0.0087 321 ILE A C 1862 O O . ILE A 240 ? 0.1296 0.2156 0.2516 0.0003 -0.0084 0.0070 321 ILE A O 1863 C CB . ILE A 240 ? 0.1402 0.2246 0.2726 -0.0026 0.0272 -0.0023 321 ILE A CB 1864 C CG1 . ILE A 240 ? 0.1486 0.2336 0.3001 0.0198 -0.0216 -0.0274 321 ILE A CG1 1865 C CG2 . ILE A 240 ? 0.1657 0.2422 0.2917 -0.0205 0.0076 0.0143 321 ILE A CG2 1866 C CD1 . ILE A 240 ? 0.1433 0.2287 0.3002 0.0266 -0.0336 -0.0442 321 ILE A CD1 1867 N N . PRO A 241 ? 0.1011 0.1958 0.2011 0.0054 -0.0128 -0.0057 322 PRO A N 1868 C CA . PRO A 241 ? 0.1044 0.1763 0.1972 -0.0171 0.0019 -0.0327 322 PRO A CA 1869 C C . PRO A 241 ? 0.1026 0.1761 0.1953 -0.0253 -0.0086 0.0019 322 PRO A C 1870 O O . PRO A 241 ? 0.1166 0.1679 0.2454 -0.0353 -0.0012 0.0164 322 PRO A O 1871 C CB . PRO A 241 ? 0.1100 0.1940 0.2164 -0.0131 -0.0257 -0.0332 322 PRO A CB 1872 C CG . PRO A 241 ? 0.1221 0.1976 0.2235 -0.0056 -0.0318 -0.0554 322 PRO A CG 1873 C CD . PRO A 241 ? 0.1337 0.2062 0.2043 0.0021 -0.0122 -0.0412 322 PRO A CD 1874 N N . THR A 242 ? 0.1005 0.1699 0.2035 -0.0213 -0.0105 -0.0114 323 THR A N 1875 C CA . THR A 242 ? 0.1047 0.1592 0.1916 -0.0125 -0.0182 -0.0110 323 THR A CA 1876 C C . THR A 242 ? 0.1263 0.1690 0.1931 -0.0034 -0.0136 -0.0334 323 THR A C 1877 O O . THR A 242 ? 0.1202 0.1727 0.1901 -0.0032 -0.0233 -0.0397 323 THR A O 1878 C CB . THR A 242 ? 0.1077 0.1553 0.1987 -0.0087 0.0040 -0.0102 323 THR A CB 1879 O OG1 . THR A 242 ? 0.1314 0.1475 0.2122 -0.0138 0.0100 0.0090 323 THR A OG1 1880 C CG2 . THR A 242 ? 0.0912 0.1624 0.1957 -0.0118 0.0286 -0.0023 323 THR A CG2 1881 N N . ASP A 243 ? 0.1210 0.1671 0.1903 0.0059 -0.0036 0.0051 324 ASP A N 1882 C CA . ASP A 243 ? 0.1263 0.1466 0.1753 0.0001 -0.0059 0.0286 324 ASP A CA 1883 C C . ASP A 243 ? 0.1201 0.1451 0.1643 0.0009 -0.0281 0.0168 324 ASP A C 1884 O O . ASP A 243 ? 0.1197 0.1512 0.2000 -0.0011 -0.0153 0.0051 324 ASP A O 1885 C CB . ASP A 243 ? 0.1300 0.1540 0.1952 -0.0182 -0.0030 0.0183 324 ASP A CB 1886 C CG . ASP A 243 ? 0.1475 0.1495 0.1783 -0.0164 -0.0084 0.0211 324 ASP A CG 1887 O OD1 . ASP A 243 ? 0.1215 0.1642 0.1926 -0.0222 -0.0190 -0.0178 324 ASP A OD1 1888 O OD2 . ASP A 243 ? 0.1339 0.1818 0.1546 -0.0108 0.0039 0.0091 324 ASP A OD2 1889 N N . THR A 244 ? 0.1251 0.1513 0.1646 -0.0247 0.0129 0.0117 325 THR A N 1890 C CA . THR A 244 ? 0.1387 0.1586 0.1656 -0.0149 0.0145 0.0128 325 THR A CA 1891 C C . THR A 244 ? 0.1477 0.1681 0.1499 -0.0165 0.0090 -0.0023 325 THR A C 1892 O O . THR A 244 ? 0.1502 0.1750 0.1675 -0.0132 -0.0203 -0.0089 325 THR A O 1893 C CB . THR A 244 ? 0.1593 0.1511 0.1291 -0.0207 0.0071 0.0060 325 THR A CB 1894 O OG1 . THR A 244 ? 0.1823 0.1571 0.1639 -0.0225 -0.0012 -0.0123 325 THR A OG1 1895 C CG2 . THR A 244 ? 0.1730 0.1531 0.1440 -0.0302 0.0060 0.0105 325 THR A CG2 1896 N N . PRO A 245 ? 0.1465 0.1687 0.1639 -0.0031 -0.0286 -0.0096 326 PRO A N 1897 C CA . PRO A 245 ? 0.1365 0.1663 0.1650 -0.0150 -0.0328 -0.0258 326 PRO A CA 1898 C C . PRO A 245 ? 0.1312 0.1588 0.1993 -0.0128 -0.0329 -0.0156 326 PRO A C 1899 O O . PRO A 245 ? 0.1269 0.1616 0.1815 -0.0177 -0.0266 -0.0211 326 PRO A O 1900 C CB . PRO A 245 ? 0.1683 0.1738 0.1782 0.0133 -0.0414 -0.0184 326 PRO A CB 1901 C CG . PRO A 245 ? 0.1754 0.1835 0.2008 0.0035 -0.0594 -0.0293 326 PRO A CG 1902 C CD . PRO A 245 ? 0.1702 0.1815 0.1981 -0.0031 -0.0462 -0.0366 326 PRO A CD 1903 N N . ARG A 246 ? 0.0994 0.1535 0.2146 -0.0203 -0.0207 -0.0151 327 ARG A N 1904 C CA . ARG A 246 ? 0.1184 0.1633 0.1518 -0.0198 -0.0233 -0.0394 327 ARG A CA 1905 C C . ARG A 246 ? 0.1351 0.1860 0.1898 -0.0222 -0.0287 -0.0127 327 ARG A C 1906 O O . ARG A 246 ? 0.1384 0.2090 0.2039 -0.0221 -0.0083 -0.0083 327 ARG A O 1907 C CB . ARG A 246 ? 0.1505 0.1394 0.1825 -0.0275 -0.0255 -0.0550 327 ARG A CB 1908 C CG . ARG A 246 ? 0.1517 0.1425 0.1818 -0.0202 -0.0328 -0.0411 327 ARG A CG 1909 C CD . ARG A 246 ? 0.1420 0.1474 0.1812 -0.0281 -0.0180 -0.0309 327 ARG A CD 1910 N NE . ARG A 246 ? 0.1463 0.1387 0.2030 -0.0315 -0.0270 -0.0153 327 ARG A NE 1911 C CZ . ARG A 246 ? 0.1482 0.1482 0.2005 -0.0096 -0.0227 -0.0376 327 ARG A CZ 1912 N NH1 . ARG A 246 ? 0.1562 0.1685 0.1631 -0.0183 -0.0206 -0.0269 327 ARG A NH1 1913 N NH2 . ARG A 246 ? 0.1656 0.1661 0.2338 0.0047 -0.0270 -0.0419 327 ARG A NH2 1914 N N . VAL A 247 ? 0.1142 0.1906 0.2186 -0.0041 -0.0717 -0.0157 328 VAL A N 1915 C CA . VAL A 247 ? 0.1384 0.1944 0.2158 -0.0278 -0.0659 -0.0363 328 VAL A CA 1916 C C . VAL A 247 ? 0.1457 0.2082 0.2111 -0.0381 -0.0671 0.0018 328 VAL A C 1917 O O . VAL A 247 ? 0.1521 0.2183 0.2388 -0.0392 -0.0515 -0.0072 328 VAL A O 1918 C CB . VAL A 247 ? 0.1561 0.1877 0.2115 -0.0305 -0.0308 -0.0563 328 VAL A CB 1919 C CG1 . VAL A 247 ? 0.1764 0.2065 0.2866 -0.0282 -0.0362 -0.0689 328 VAL A CG1 1920 C CG2 . VAL A 247 ? 0.1586 0.1923 0.2425 -0.0578 -0.0049 -0.0122 328 VAL A CG2 1921 N N . GLN A 248 ? 0.1619 0.2283 0.2295 -0.0201 -0.0432 0.0398 329 GLN A N 1922 C CA . GLN A 248 ? 0.1856 0.2472 0.2469 -0.0092 -0.0416 0.0376 329 GLN A CA 1923 C C . GLN A 248 ? 0.1616 0.2406 0.2787 -0.0131 -0.0686 0.0022 329 GLN A C 1924 O O . GLN A 248 ? 0.1551 0.2478 0.3318 -0.0427 -0.0607 -0.0156 329 GLN A O 1925 C CB . GLN A 248 ? 0.2515 0.2945 0.2701 -0.0005 -0.0421 0.0403 329 GLN A CB 1926 C CG . GLN A 248 ? 0.3185 0.3474 0.3404 0.0027 -0.0293 0.0464 329 GLN A CG 1927 C CD . GLN A 248 ? 0.3760 0.3946 0.3800 -0.0002 0.0094 0.0525 329 GLN A CD 1928 O OE1 . GLN A 248 ? 0.4012 0.4159 0.4091 -0.0089 0.0063 0.0378 329 GLN A OE1 1929 N NE2 . GLN A 248 ? 0.3931 0.4070 0.3763 -0.0032 0.0388 0.0676 329 GLN A NE2 1930 N N . ASP A 249 ? 0.1511 0.2377 0.2686 -0.0113 -0.0526 -0.0278 330 ASP A N 1931 C CA . ASP A 249 ? 0.1600 0.2345 0.2858 -0.0254 -0.0275 -0.0293 330 ASP A CA 1932 C C . ASP A 249 ? 0.1421 0.2476 0.3084 -0.0379 -0.0355 -0.0026 330 ASP A C 1933 O O . ASP A 249 ? 0.1387 0.2490 0.3240 -0.0391 -0.0263 0.0150 330 ASP A O 1934 C CB . ASP A 249 ? 0.1710 0.2202 0.2978 -0.0256 -0.0129 -0.0403 330 ASP A CB 1935 C CG . ASP A 249 ? 0.1722 0.2150 0.3099 -0.0127 -0.0221 -0.0395 330 ASP A CG 1936 O OD1 . ASP A 249 ? 0.1432 0.2279 0.3089 -0.0154 -0.0318 -0.0296 330 ASP A OD1 1937 O OD2 . ASP A 249 ? 0.1814 0.1900 0.3438 -0.0300 -0.0368 -0.0555 330 ASP A OD2 1938 N N . SER A 250 ? 0.1175 0.2544 0.3500 -0.0354 -0.0479 0.0030 331 SER A N 1939 C CA . SER A 250 ? 0.1375 0.2857 0.3847 -0.0372 -0.0413 -0.0054 331 SER A CA 1940 C C . SER A 250 ? 0.1534 0.2824 0.3995 -0.0564 -0.0333 -0.0261 331 SER A C 1941 O O . SER A 250 ? 0.1721 0.3010 0.4206 -0.0499 -0.0244 -0.0650 331 SER A O 1942 C CB . SER A 250 ? 0.1590 0.3309 0.4032 -0.0246 -0.0440 0.0086 331 SER A CB 1943 O OG . SER A 250 ? 0.1760 0.3588 0.4420 -0.0228 -0.0612 0.0086 331 SER A OG 1944 N N . SER A 251 ? 0.1662 0.2663 0.3538 -0.0481 -0.0573 -0.0097 332 SER A N 1945 C CA . SER A 251 ? 0.1820 0.2584 0.3070 -0.0354 -0.0959 0.0032 332 SER A CA 1946 C C . SER A 251 ? 0.1839 0.2499 0.3016 -0.0335 -0.0921 -0.0061 332 SER A C 1947 O O . SER A 251 ? 0.1989 0.2680 0.3113 -0.0245 -0.0862 0.0037 332 SER A O 1948 C CB . SER A 251 ? 0.2013 0.2778 0.3224 -0.0331 -0.0994 0.0203 332 SER A CB 1949 O OG . SER A 251 ? 0.2176 0.3030 0.3299 -0.0259 -0.1050 0.0121 332 SER A OG 1950 N N . PHE A 252 ? 0.1581 0.2398 0.2823 -0.0494 -0.0599 -0.0052 333 PHE A N 1951 C CA . PHE A 252 ? 0.1480 0.2355 0.2877 -0.0511 -0.0431 -0.0033 333 PHE A CA 1952 C C . PHE A 252 ? 0.1550 0.2497 0.3218 -0.0420 -0.0232 0.0040 333 PHE A C 1953 O O . PHE A 252 ? 0.1618 0.2588 0.3558 -0.0172 -0.0089 0.0189 333 PHE A O 1954 C CB . PHE A 252 ? 0.1414 0.2383 0.2794 -0.0522 -0.0541 -0.0167 333 PHE A CB 1955 C CG . PHE A 252 ? 0.1335 0.2451 0.2892 -0.0403 -0.0300 0.0017 333 PHE A CG 1956 C CD1 . PHE A 252 ? 0.1367 0.2380 0.2919 -0.0352 -0.0112 0.0124 333 PHE A CD1 1957 C CD2 . PHE A 252 ? 0.1344 0.2525 0.2579 -0.0309 -0.0514 0.0309 333 PHE A CD2 1958 C CE1 . PHE A 252 ? 0.1303 0.2508 0.2991 -0.0364 0.0023 0.0148 333 PHE A CE1 1959 C CE2 . PHE A 252 ? 0.1361 0.2518 0.2846 -0.0382 -0.0289 0.0241 333 PHE A CE2 1960 C CZ . PHE A 252 ? 0.1344 0.2512 0.3006 -0.0386 -0.0346 0.0208 333 PHE A CZ 1961 N N . THR A 253 ? 0.1544 0.2733 0.2975 -0.0507 -0.0214 0.0139 334 THR A N 1962 C CA . THR A 253 ? 0.1245 0.2830 0.3299 -0.0578 -0.0008 0.0113 334 THR A CA 1963 C C . THR A 253 ? 0.1535 0.2642 0.3063 -0.0445 -0.0122 0.0050 334 THR A C 1964 O O . THR A 253 ? 0.1896 0.2562 0.3263 -0.0417 -0.0078 0.0081 334 THR A O 1965 C CB . THR A 253 ? 0.1196 0.3140 0.3871 -0.0755 -0.0124 0.0284 334 THR A CB 1966 O OG1 . THR A 253 ? 0.1205 0.3357 0.4418 -0.0819 -0.0485 0.0342 334 THR A OG1 1967 C CG2 . THR A 253 ? 0.1194 0.3185 0.3831 -0.0868 0.0078 0.0309 334 THR A CG2 1968 N N . GLY A 254 ? 0.1448 0.2397 0.3030 -0.0416 -0.0062 0.0056 335 GLY A N 1969 C CA . GLY A 254 ? 0.1534 0.2320 0.3023 -0.0383 -0.0053 0.0112 335 GLY A CA 1970 C C . GLY A 254 ? 0.1685 0.2203 0.2929 -0.0394 0.0183 -0.0162 335 GLY A C 1971 O O . GLY A 254 ? 0.1785 0.2336 0.3185 -0.0308 0.0150 -0.0406 335 GLY A O 1972 N N . SER A 255 ? 0.1714 0.2082 0.2878 -0.0183 0.0064 0.0073 336 SER A N 1973 C CA . SER A 255 ? 0.1766 0.1848 0.2550 -0.0168 0.0065 0.0233 336 SER A CA 1974 C C . SER A 255 ? 0.1615 0.2029 0.3059 -0.0190 0.0074 0.0193 336 SER A C 1975 O O . SER A 255 ? 0.1667 0.2145 0.3156 -0.0339 0.0037 0.0388 336 SER A O 1976 C CB . SER A 255 ? 0.1978 0.1912 0.2426 0.0089 0.0136 0.0288 336 SER A CB 1977 O OG . SER A 255 ? 0.2070 0.2060 0.2604 0.0131 0.0255 -0.0005 336 SER A OG 1978 N N . CYS A 256 ? 0.1620 0.2207 0.3014 -0.0206 0.0148 0.0028 337 CYS A N 1979 C CA . CYS A 256 ? 0.1920 0.2316 0.3296 -0.0242 0.0164 -0.0083 337 CYS A CA 1980 C C . CYS A 256 ? 0.1947 0.2385 0.3130 -0.0422 0.0329 0.0163 337 CYS A C 1981 O O . CYS A 256 ? 0.1894 0.2377 0.3165 -0.0523 0.0138 0.0391 337 CYS A O 1982 C CB . CYS A 256 ? 0.2264 0.2592 0.3923 -0.0074 0.0160 -0.0578 337 CYS A CB 1983 S SG . CYS A 256 ? 0.2661 0.2963 0.4709 -0.0282 0.0495 -0.0261 337 CYS A SG 1984 N N . THR A 257 ? 0.2107 0.2440 0.3027 -0.0352 0.0605 0.0257 338 THR A N 1985 C CA . THR A 257 ? 0.2191 0.2438 0.2637 -0.0327 0.0589 0.0322 338 THR A CA 1986 C C . THR A 257 ? 0.2247 0.2437 0.2637 -0.0130 0.0498 0.0045 338 THR A C 1987 O O . THR A 257 ? 0.2445 0.2624 0.2692 0.0142 0.0412 0.0038 338 THR A O 1988 C CB . THR A 257 ? 0.2096 0.2660 0.2637 -0.0574 0.0595 0.0285 338 THR A CB 1989 O OG1 . THR A 257 ? 0.2159 0.2802 0.3083 -0.0484 0.0502 0.0178 338 THR A OG1 1990 C CG2 . THR A 257 ? 0.2273 0.2753 0.3006 -0.0702 0.0378 0.0567 338 THR A CG2 1991 N N . ASN A 258 ? 0.2264 0.2312 0.2439 -0.0187 0.0364 -0.0014 339 ASN A N 1992 C CA . ASN A 258 ? 0.2407 0.2317 0.2382 -0.0265 0.0488 0.0006 339 ASN A CA 1993 C C . ASN A 258 ? 0.2016 0.2037 0.2077 -0.0181 0.0364 -0.0014 339 ASN A C 1994 O O . ASN A 258 ? 0.2043 0.2105 0.2441 -0.0258 0.0266 -0.0185 339 ASN A O 1995 C CB . ASN A 258 ? 0.3020 0.2797 0.3389 -0.0536 0.0712 0.0004 339 ASN A CB 1996 C CG . ASN A 258 ? 0.3577 0.3230 0.4478 -0.0577 0.0895 0.0348 339 ASN A CG 1997 O OD1 . ASN A 258 ? 0.4048 0.3612 0.4754 -0.0792 0.0924 0.0408 339 ASN A OD1 1998 N ND2 . ASN A 258 ? 0.3913 0.3557 0.5041 -0.0363 0.0929 0.0217 339 ASN A ND2 1999 N N . ALA A 259 ? 0.1845 0.1814 0.1570 -0.0242 0.0269 0.0068 340 ALA A N 2000 C CA . ALA A 259 ? 0.1635 0.1760 0.2001 -0.0215 -0.0029 0.0043 340 ALA A CA 2001 C C . ALA A 259 ? 0.1653 0.1728 0.2227 -0.0490 -0.0379 0.0143 340 ALA A C 2002 O O . ALA A 259 ? 0.1873 0.1916 0.2962 -0.0548 -0.0521 0.0128 340 ALA A O 2003 C CB . ALA A 259 ? 0.1754 0.1854 0.2231 -0.0094 -0.0073 -0.0071 340 ALA A CB 2004 N N . VAL A 260 ? 0.1585 0.1778 0.1884 -0.0209 -0.0441 0.0280 341 VAL A N 2005 C CA . VAL A 260 ? 0.1515 0.2004 0.1936 -0.0337 -0.0154 0.0003 341 VAL A CA 2006 C C . VAL A 260 ? 0.1490 0.2034 0.1732 -0.0349 0.0006 0.0004 341 VAL A C 2007 O O . VAL A 260 ? 0.1241 0.2310 0.2250 -0.0362 -0.0083 -0.0004 341 VAL A O 2008 C CB . VAL A 260 ? 0.1670 0.2161 0.2081 -0.0418 -0.0117 -0.0165 341 VAL A CB 2009 C CG1 . VAL A 260 ? 0.1613 0.2292 0.2297 -0.0184 -0.0301 -0.0115 341 VAL A CG1 2010 C CG2 . VAL A 260 ? 0.1910 0.2148 0.2301 -0.0435 0.0108 -0.0075 341 VAL A CG2 2011 N N . GLY A 261 ? 0.1575 0.2071 0.1568 -0.0282 0.0187 -0.0030 342 GLY A N 2012 C CA . GLY A 261 ? 0.1861 0.2196 0.1672 -0.0381 0.0104 -0.0078 342 GLY A CA 2013 C C . GLY A 261 ? 0.1928 0.2209 0.2027 -0.0382 -0.0102 -0.0269 342 GLY A C 2014 O O . GLY A 261 ? 0.2035 0.2259 0.2474 -0.0362 0.0236 -0.0369 342 GLY A O 2015 N N . GLY A 262 ? 0.1986 0.2077 0.1922 -0.0370 -0.0309 -0.0469 343 GLY A N 2016 C CA . GLY A 262 ? 0.2079 0.1985 0.2085 -0.0315 -0.0510 -0.0303 343 GLY A CA 2017 C C . GLY A 262 ? 0.2008 0.1969 0.2410 -0.0020 -0.0719 -0.0590 343 GLY A C 2018 O O . GLY A 262 ? 0.2016 0.1947 0.2544 0.0180 -0.0609 -0.0699 343 GLY A O 2019 N N . SER A 263 ? 0.1914 0.2150 0.2715 -0.0071 -0.0895 -0.0695 344 SER A N 2020 C CA . SER A 263 ? 0.2095 0.2306 0.3059 0.0035 -0.0799 -0.0639 344 SER A CA 2021 C C . SER A 263 ? 0.2013 0.2262 0.2908 -0.0044 -0.1085 -0.0362 344 SER A C 2022 O O . SER A 263 ? 0.2131 0.2316 0.3161 -0.0003 -0.0937 -0.0256 344 SER A O 2023 C CB . SER A 263 ? 0.2395 0.2829 0.3470 0.0016 -0.0523 -0.0596 344 SER A CB 2024 O OG . SER A 263 ? 0.2490 0.3000 0.3521 -0.0099 -0.0512 -0.0535 344 SER A OG 2025 N N . GLY A 264 ? 0.1889 0.2263 0.2536 -0.0128 -0.1061 -0.0343 345 GLY A N 2026 C CA . GLY A 264 ? 0.1862 0.2320 0.2631 -0.0140 -0.0821 -0.0261 345 GLY A CA 2027 C C . GLY A 264 ? 0.1680 0.2222 0.2555 -0.0401 -0.0764 -0.0185 345 GLY A C 2028 O O . GLY A 264 ? 0.1629 0.2504 0.2605 -0.0635 -0.0496 -0.0265 345 GLY A O 2029 N N . THR A 265 ? 0.1522 0.1954 0.2435 -0.0188 -0.0674 -0.0244 346 THR A N 2030 C CA . THR A 265 ? 0.1534 0.1693 0.2136 -0.0002 -0.0604 -0.0168 346 THR A CA 2031 C C . THR A 265 ? 0.1496 0.1605 0.2025 0.0013 -0.0375 -0.0186 346 THR A C 2032 O O . THR A 265 ? 0.1373 0.1742 0.1931 -0.0018 -0.0175 -0.0579 346 THR A O 2033 C CB . THR A 265 ? 0.1533 0.1571 0.2052 0.0053 -0.0433 -0.0078 346 THR A CB 2034 O OG1 . THR A 265 ? 0.1469 0.1748 0.2639 0.0139 -0.0301 -0.0433 346 THR A OG1 2035 C CG2 . THR A 265 ? 0.1617 0.1737 0.2335 0.0048 -0.0350 -0.0127 346 THR A CG2 2036 N N . ASN A 266 A 0.1585 0.1603 0.2075 -0.0045 -0.0238 -0.0097 346 ASN A N 2037 C CA . ASN A 266 A 0.1458 0.1499 0.1905 -0.0328 -0.0366 -0.0043 346 ASN A CA 2038 C C . ASN A 266 A 0.1607 0.1516 0.1571 -0.0142 -0.0209 -0.0012 346 ASN A C 2039 O O . ASN A 266 A 0.1800 0.1783 0.1870 0.0199 -0.0079 0.0104 346 ASN A O 2040 C CB . ASN A 266 A 0.1514 0.1325 0.2250 -0.0587 -0.0332 -0.0167 346 ASN A CB 2041 C CG . ASN A 266 A 0.1776 0.1488 0.2564 -0.0524 -0.0486 -0.0245 346 ASN A CG 2042 O OD1 . ASN A 266 A 0.2229 0.1934 0.3240 -0.0487 -0.0218 -0.0358 346 ASN A OD1 2043 N ND2 . ASN A 266 A 0.1601 0.1309 0.2398 -0.0438 -0.0536 -0.0202 346 ASN A ND2 2044 N N . ASN A 267 B 0.1492 0.1291 0.1363 -0.0343 -0.0432 -0.0079 346 ASN A N 2045 C CA . ASN A 267 B 0.1521 0.1328 0.1448 -0.0447 -0.0515 -0.0603 346 ASN A CA 2046 C C . ASN A 267 B 0.1465 0.1481 0.1359 -0.0465 -0.0349 -0.0491 346 ASN A C 2047 O O . ASN A 267 B 0.1648 0.1807 0.1748 -0.0416 0.0097 -0.0252 346 ASN A O 2048 C CB . ASN A 267 B 0.1781 0.1511 0.1705 -0.0492 -0.0625 -0.0247 346 ASN A CB 2049 C CG . ASN A 267 B 0.1920 0.1759 0.1864 -0.0553 -0.0642 0.0043 346 ASN A CG 2050 O OD1 . ASN A 267 B 0.2092 0.1946 0.2356 -0.0454 -0.0926 -0.0068 346 ASN A OD1 2051 N ND2 . ASN A 267 B 0.2284 0.2000 0.2082 -0.0702 -0.0601 -0.0121 346 ASN A ND2 2052 N N . TYR A 268 ? 0.1634 0.1568 0.1389 -0.0388 -0.0262 -0.0123 347 TYR A N 2053 C CA . TYR A 268 ? 0.1851 0.1534 0.1384 -0.0388 -0.0045 -0.0286 347 TYR A CA 2054 C C . TYR A 268 ? 0.1578 0.1449 0.1359 -0.0423 0.0062 -0.0237 347 TYR A C 2055 O O . TYR A 268 ? 0.1463 0.1525 0.1559 -0.0274 -0.0146 -0.0157 347 TYR A O 2056 C CB . TYR A 268 ? 0.2131 0.1852 0.1323 -0.0388 0.0027 -0.0173 347 TYR A CB 2057 C CG . TYR A 268 ? 0.1889 0.1965 0.2150 -0.0361 0.0379 -0.0043 347 TYR A CG 2058 C CD1 . TYR A 268 ? 0.1752 0.1904 0.2339 -0.0370 0.0452 0.0073 347 TYR A CD1 2059 C CD2 . TYR A 268 ? 0.1790 0.1958 0.1959 -0.0677 0.0452 0.0162 347 TYR A CD2 2060 C CE1 . TYR A 268 ? 0.1920 0.1999 0.2264 -0.0457 0.0456 -0.0144 347 TYR A CE1 2061 C CE2 . TYR A 268 ? 0.1935 0.2136 0.2022 -0.0521 0.0357 -0.0250 347 TYR A CE2 2062 C CZ . TYR A 268 ? 0.2038 0.2189 0.2472 -0.0484 0.0392 -0.0416 347 TYR A CZ 2063 O OH . TYR A 268 ? 0.2447 0.2367 0.2830 -0.0278 0.0366 -0.0539 347 TYR A OH 2064 N N . GLY A 269 ? 0.1656 0.1200 0.1472 -0.0371 0.0056 -0.0396 348 GLY A N 2065 C CA . GLY A 269 ? 0.1395 0.1308 0.1418 -0.0397 -0.0010 -0.0383 348 GLY A CA 2066 C C . GLY A 269 ? 0.1284 0.1159 0.1331 -0.0375 -0.0483 -0.0471 348 GLY A C 2067 O O . GLY A 269 ? 0.1614 0.1237 0.1363 -0.0237 -0.0186 -0.0149 348 GLY A O 2068 N N . VAL A 270 ? 0.1088 0.1063 0.1390 -0.0397 -0.0428 -0.0213 349 VAL A N 2069 C CA . VAL A 270 ? 0.1038 0.1348 0.1421 -0.0235 -0.0354 -0.0119 349 VAL A CA 2070 C C . VAL A 270 ? 0.1075 0.1457 0.1290 -0.0159 -0.0276 -0.0124 349 VAL A C 2071 O O . VAL A 270 ? 0.1207 0.1539 0.1318 -0.0165 -0.0004 -0.0131 349 VAL A O 2072 C CB . VAL A 270 ? 0.0988 0.1380 0.1434 -0.0086 -0.0061 -0.0080 349 VAL A CB 2073 C CG1 . VAL A 270 ? 0.0930 0.1464 0.1488 -0.0034 0.0074 -0.0214 349 VAL A CG1 2074 C CG2 . VAL A 270 ? 0.1128 0.1641 0.1588 -0.0264 0.0008 -0.0089 349 VAL A CG2 2075 N N . LYS A 271 ? 0.1077 0.1321 0.1486 -0.0178 -0.0305 0.0028 350 LYS A N 2076 C CA . LYS A 271 ? 0.0944 0.1438 0.1195 -0.0170 -0.0255 -0.0032 350 LYS A CA 2077 C C . LYS A 271 ? 0.0987 0.1405 0.1228 -0.0170 0.0024 -0.0283 350 LYS A C 2078 O O . LYS A 271 ? 0.1130 0.1455 0.1305 -0.0239 0.0191 -0.0151 350 LYS A O 2079 C CB . LYS A 271 ? 0.0904 0.1362 0.1003 -0.0110 -0.0341 0.0059 350 LYS A CB 2080 C CG . LYS A 271 ? 0.0955 0.1351 0.0843 -0.0022 -0.0532 -0.0113 350 LYS A CG 2081 C CD . LYS A 271 ? 0.0974 0.1410 0.0892 -0.0022 -0.0253 -0.0004 350 LYS A CD 2082 C CE . LYS A 271 ? 0.1090 0.1358 0.0704 -0.0127 0.0109 0.0053 350 LYS A CE 2083 N NZ . LYS A 271 ? 0.1068 0.1624 0.0808 -0.0165 0.0204 0.0238 350 LYS A NZ 2084 N N . GLY A 272 ? 0.0963 0.1391 0.1171 -0.0050 0.0132 -0.0440 351 GLY A N 2085 C CA . GLY A 272 ? 0.1207 0.1229 0.1213 -0.0121 0.0406 -0.0462 351 GLY A CA 2086 C C . GLY A 272 ? 0.1352 0.1126 0.1357 -0.0048 0.0215 -0.0406 351 GLY A C 2087 O O . GLY A 272 ? 0.1463 0.1296 0.1486 -0.0091 0.0172 -0.0145 351 GLY A O 2088 N N . PHE A 273 ? 0.1266 0.1118 0.1400 -0.0156 0.0298 -0.0358 352 PHE A N 2089 C CA . PHE A 273 ? 0.1278 0.1341 0.1375 -0.0327 0.0221 -0.0397 352 PHE A CA 2090 C C . PHE A 273 ? 0.1113 0.1472 0.1132 -0.0190 0.0239 -0.0211 352 PHE A C 2091 O O . PHE A 273 ? 0.0906 0.1630 0.1469 -0.0095 0.0088 -0.0142 352 PHE A O 2092 C CB . PHE A 273 ? 0.1361 0.1377 0.1722 -0.0515 0.0144 -0.0194 352 PHE A CB 2093 C CG . PHE A 273 ? 0.1460 0.1409 0.1643 -0.0584 0.0188 -0.0077 352 PHE A CG 2094 C CD1 . PHE A 273 ? 0.1618 0.1570 0.1331 -0.0567 0.0209 0.0034 352 PHE A CD1 2095 C CD2 . PHE A 273 ? 0.1490 0.1463 0.1664 -0.0633 0.0246 0.0141 352 PHE A CD2 2096 C CE1 . PHE A 273 ? 0.1644 0.1564 0.1445 -0.0490 0.0010 -0.0048 352 PHE A CE1 2097 C CE2 . PHE A 273 ? 0.1545 0.1467 0.1934 -0.0661 0.0337 0.0081 352 PHE A CE2 2098 C CZ . PHE A 273 ? 0.1584 0.1593 0.1369 -0.0533 0.0250 -0.0067 352 PHE A CZ 2099 N N . GLY A 274 ? 0.1304 0.1512 0.1014 -0.0098 0.0644 -0.0060 353 GLY A N 2100 C CA . GLY A 274 ? 0.1353 0.1594 0.1096 -0.0019 0.0537 -0.0375 353 GLY A CA 2101 C C . GLY A 274 ? 0.1289 0.1673 0.1158 -0.0106 0.0357 -0.0056 353 GLY A C 2102 O O . GLY A 274 ? 0.1338 0.1863 0.1755 0.0277 0.0136 -0.0055 353 GLY A O 2103 N N . PHE A 275 ? 0.1246 0.1647 0.1409 -0.0275 0.0650 -0.0019 354 PHE A N 2104 C CA . PHE A 275 ? 0.1314 0.1473 0.1615 -0.0297 0.0489 -0.0036 354 PHE A CA 2105 C C . PHE A 275 ? 0.1217 0.1606 0.1501 -0.0268 0.0340 0.0139 354 PHE A C 2106 O O . PHE A 275 ? 0.1233 0.1670 0.1712 -0.0171 0.0375 -0.0059 354 PHE A O 2107 C CB . PHE A 275 ? 0.1225 0.1404 0.1839 -0.0505 0.0369 -0.0284 354 PHE A CB 2108 C CG . PHE A 275 ? 0.1321 0.1208 0.1925 -0.0352 0.0402 -0.0448 354 PHE A CG 2109 C CD1 . PHE A 275 ? 0.1281 0.1093 0.2078 -0.0075 0.0416 -0.0075 354 PHE A CD1 2110 C CD2 . PHE A 275 ? 0.1580 0.1305 0.2102 -0.0273 0.0303 -0.0266 354 PHE A CD2 2111 C CE1 . PHE A 275 ? 0.1451 0.1200 0.2185 -0.0224 0.0470 0.0115 354 PHE A CE1 2112 C CE2 . PHE A 275 ? 0.1517 0.1294 0.2061 -0.0167 0.0400 -0.0261 354 PHE A CE2 2113 C CZ . PHE A 275 ? 0.1425 0.1108 0.1942 -0.0112 0.0384 0.0034 354 PHE A CZ 2114 N N . ARG A 276 ? 0.1299 0.1688 0.1382 -0.0120 0.0326 0.0058 355 ARG A N 2115 C CA . ARG A 276 ? 0.1402 0.1673 0.1374 -0.0254 0.0596 0.0116 355 ARG A CA 2116 C C . ARG A 276 ? 0.1391 0.1659 0.1869 -0.0133 0.0528 -0.0018 355 ARG A C 2117 O O . ARG A 276 ? 0.1411 0.1485 0.1639 -0.0328 0.0396 -0.0043 355 ARG A O 2118 C CB . ARG A 276 ? 0.1596 0.1764 0.1268 -0.0229 0.0742 0.0230 355 ARG A CB 2119 C CG . ARG A 276 ? 0.1654 0.1911 0.1290 -0.0312 0.0693 0.0508 355 ARG A CG 2120 C CD . ARG A 276 ? 0.1866 0.2177 0.1523 -0.0328 0.0690 0.0330 355 ARG A CD 2121 N NE . ARG A 276 ? 0.1852 0.2176 0.1478 -0.0362 0.0468 0.0232 355 ARG A NE 2122 C CZ . ARG A 276 ? 0.1811 0.2494 0.1585 -0.0338 0.0430 0.0255 355 ARG A CZ 2123 N NH1 . ARG A 276 ? 0.1826 0.2395 0.1885 -0.0302 0.0599 0.0397 355 ARG A NH1 2124 N NH2 . ARG A 276 ? 0.1744 0.2670 0.1836 -0.0071 0.0237 0.0426 355 ARG A NH2 2125 N N . GLN A 277 ? 0.1376 0.1592 0.2006 0.0123 0.0705 -0.0253 356 GLN A N 2126 C CA . GLN A 277 ? 0.1442 0.1824 0.2061 -0.0082 0.0656 0.0046 356 GLN A CA 2127 C C . GLN A 277 ? 0.1588 0.1993 0.2099 -0.0096 0.0743 0.0068 356 GLN A C 2128 O O . GLN A 277 ? 0.1649 0.2172 0.2094 -0.0129 0.0500 -0.0002 356 GLN A O 2129 C CB . GLN A 277 ? 0.1506 0.1705 0.1981 -0.0055 0.0695 0.0199 356 GLN A CB 2130 C CG . GLN A 277 ? 0.1390 0.1605 0.1979 0.0043 0.0550 0.0129 356 GLN A CG 2131 C CD . GLN A 277 ? 0.1674 0.1679 0.1823 0.0062 0.0535 -0.0020 356 GLN A CD 2132 O OE1 . GLN A 277 ? 0.1928 0.1733 0.1572 0.0095 0.0617 -0.0152 356 GLN A OE1 2133 N NE2 . GLN A 277 ? 0.1514 0.1820 0.1757 -0.0191 0.0530 0.0196 356 GLN A NE2 2134 N N . GLY A 278 ? 0.1633 0.1927 0.1728 -0.0226 0.0775 0.0076 357 GLY A N 2135 C CA . GLY A 278 ? 0.1692 0.1940 0.2125 -0.0199 0.0680 0.0007 357 GLY A CA 2136 C C . GLY A 278 ? 0.1655 0.1996 0.2225 -0.0273 0.0439 0.0087 357 GLY A C 2137 O O . GLY A 278 ? 0.1755 0.2052 0.2287 -0.0101 0.0413 0.0145 357 GLY A O 2138 N N . ASN A 279 ? 0.1634 0.2115 0.2214 -0.0308 0.0499 0.0039 358 ASN A N 2139 C CA . ASN A 279 ? 0.1476 0.2260 0.1737 -0.0355 0.0587 0.0089 358 ASN A CA 2140 C C . ASN A 279 ? 0.1439 0.2205 0.1777 -0.0136 0.0462 0.0005 358 ASN A C 2141 O O . ASN A 279 ? 0.1601 0.2100 0.1691 -0.0076 0.0460 -0.0018 358 ASN A O 2142 C CB . ASN A 279 ? 0.1545 0.2592 0.2234 -0.0364 0.0723 0.0106 358 ASN A CB 2143 C CG . ASN A 279 ? 0.1766 0.2812 0.2701 -0.0473 0.0732 0.0255 358 ASN A CG 2144 O OD1 . ASN A 279 ? 0.2099 0.2814 0.2756 -0.0454 0.0799 0.0286 358 ASN A OD1 2145 N ND2 . ASN A 279 ? 0.1936 0.3139 0.2979 -0.0539 0.0836 0.0251 358 ASN A ND2 2146 N N . SER A 280 ? 0.1338 0.2257 0.2214 -0.0229 0.0662 0.0132 359 SER A N 2147 C CA . SER A 280 ? 0.1355 0.2021 0.2205 -0.0065 0.0676 -0.0092 359 SER A CA 2148 C C . SER A 280 ? 0.1453 0.1790 0.1916 -0.0189 0.0592 -0.0042 359 SER A C 2149 O O . SER A 280 ? 0.1813 0.1679 0.2020 -0.0264 0.0388 -0.0037 359 SER A O 2150 C CB . SER A 280 ? 0.1167 0.1986 0.2120 -0.0006 0.0632 -0.0110 359 SER A CB 2151 O OG . SER A 280 ? 0.1353 0.2184 0.2491 0.0060 0.0591 -0.0103 359 SER A OG 2152 N N . VAL A 281 ? 0.1324 0.1782 0.1792 -0.0206 0.0777 -0.0140 360 VAL A N 2153 C CA . VAL A 281 ? 0.1465 0.1699 0.1893 0.0066 0.0526 -0.0089 360 VAL A CA 2154 C C . VAL A 281 ? 0.1619 0.1757 0.1919 0.0020 0.0407 0.0014 360 VAL A C 2155 O O . VAL A 281 ? 0.1621 0.1740 0.1785 0.0104 0.0313 0.0011 360 VAL A O 2156 C CB . VAL A 281 ? 0.1374 0.1587 0.2103 0.0033 0.0327 -0.0208 360 VAL A CB 2157 C CG1 . VAL A 281 ? 0.1572 0.1450 0.2467 -0.0137 0.0336 -0.0223 360 VAL A CG1 2158 C CG2 . VAL A 281 ? 0.1482 0.1785 0.1793 -0.0005 0.0474 -0.0207 360 VAL A CG2 2159 N N . TRP A 282 ? 0.1448 0.1718 0.1585 0.0011 0.0483 -0.0124 361 TRP A N 2160 C CA . TRP A 282 ? 0.1175 0.1521 0.1527 -0.0104 0.0414 -0.0171 361 TRP A CA 2161 C C . TRP A 282 ? 0.1279 0.1636 0.1322 0.0135 0.0446 -0.0309 361 TRP A C 2162 O O . TRP A 282 ? 0.1609 0.1943 0.1908 0.0479 0.0130 -0.0070 361 TRP A O 2163 C CB . TRP A 282 ? 0.1194 0.1554 0.1823 -0.0138 0.0554 -0.0190 361 TRP A CB 2164 C CG . TRP A 282 ? 0.1336 0.1644 0.1741 -0.0081 0.0459 -0.0183 361 TRP A CG 2165 C CD1 . TRP A 282 ? 0.1370 0.1773 0.2042 -0.0062 0.0598 -0.0342 361 TRP A CD1 2166 C CD2 . TRP A 282 ? 0.1330 0.1635 0.1652 0.0070 0.0287 -0.0138 361 TRP A CD2 2167 N NE1 . TRP A 282 ? 0.1536 0.1896 0.2312 -0.0088 0.0332 -0.0230 361 TRP A NE1 2168 C CE2 . TRP A 282 ? 0.1379 0.1912 0.2045 -0.0025 0.0256 0.0031 361 TRP A CE2 2169 C CE3 . TRP A 282 ? 0.1337 0.1602 0.1947 0.0327 0.0242 0.0193 361 TRP A CE3 2170 C CZ2 . TRP A 282 ? 0.1364 0.2060 0.2101 -0.0066 -0.0004 0.0057 361 TRP A CZ2 2171 C CZ3 . TRP A 282 ? 0.1415 0.1671 0.2024 0.0093 0.0244 0.0103 361 TRP A CZ3 2172 C CH2 . TRP A 282 ? 0.1453 0.2015 0.2041 0.0087 0.0116 0.0129 361 TRP A CH2 2173 N N . ALA A 283 ? 0.1566 0.1878 0.1217 -0.0022 0.0319 -0.0191 362 ALA A N 2174 C CA . ALA A 283 ? 0.1341 0.1970 0.1269 -0.0311 0.0335 -0.0203 362 ALA A CA 2175 C C . ALA A 283 ? 0.1329 0.1896 0.1602 -0.0210 0.0384 -0.0357 362 ALA A C 2176 O O . ALA A 283 ? 0.1241 0.1765 0.1926 0.0112 0.0208 -0.0048 362 ALA A O 2177 C CB . ALA A 283 ? 0.1347 0.2074 0.1487 -0.0533 0.0366 -0.0470 362 ALA A CB 2178 N N . GLY A 284 ? 0.1235 0.1870 0.1318 -0.0276 0.0237 -0.0336 363 GLY A N 2179 C CA . GLY A 284 ? 0.1391 0.1868 0.0914 0.0004 0.0119 -0.0412 363 GLY A CA 2180 C C . GLY A 284 ? 0.1354 0.1853 0.1181 0.0005 0.0089 -0.0176 363 GLY A C 2181 O O . GLY A 284 ? 0.1402 0.1921 0.1672 0.0050 -0.0198 -0.0204 363 GLY A O 2182 N N . ARG A 285 ? 0.1142 0.1677 0.1215 -0.0048 -0.0028 -0.0116 364 ARG A N 2183 C CA . ARG A 285 ? 0.0950 0.1484 0.1303 -0.0292 0.0152 -0.0175 364 ARG A CA 2184 C C . ARG A 285 ? 0.1081 0.1464 0.1247 -0.0226 0.0073 -0.0055 364 ARG A C 2185 O O . ARG A 285 ? 0.1158 0.1325 0.1822 -0.0047 0.0144 -0.0090 364 ARG A O 2186 C CB . ARG A 285 ? 0.0609 0.1457 0.1855 -0.0127 0.0215 -0.0117 364 ARG A CB 2187 C CG . ARG A 285 ? 0.0610 0.1561 0.2133 -0.0123 0.0234 0.0079 364 ARG A CG 2188 C CD . ARG A 285 ? 0.0678 0.1646 0.2376 0.0046 0.0050 -0.0042 364 ARG A CD 2189 N NE . ARG A 285 ? 0.0805 0.1816 0.2271 -0.0086 -0.0086 -0.0297 364 ARG A NE 2190 C CZ . ARG A 285 ? 0.1004 0.1787 0.2544 -0.0084 -0.0089 -0.0127 364 ARG A CZ 2191 N NH1 . ARG A 285 ? 0.1317 0.1787 0.2365 -0.0103 -0.0093 -0.0198 364 ARG A NH1 2192 N NH2 . ARG A 285 ? 0.1106 0.1874 0.2814 0.0143 -0.0314 -0.0067 364 ARG A NH2 2193 N N . THR A 286 ? 0.1255 0.1562 0.1303 -0.0164 0.0138 -0.0082 365 THR A N 2194 C CA . THR A 286 ? 0.1260 0.1604 0.1375 -0.0087 -0.0178 -0.0074 365 THR A CA 2195 C C . THR A 286 ? 0.1328 0.1628 0.1510 -0.0036 -0.0209 -0.0108 365 THR A C 2196 O O . THR A 286 ? 0.1192 0.1719 0.1738 -0.0342 -0.0130 0.0053 365 THR A O 2197 C CB . THR A 286 ? 0.1224 0.1561 0.1600 -0.0141 -0.0560 -0.0190 365 THR A CB 2198 O OG1 . THR A 286 ? 0.1417 0.1827 0.2202 -0.0293 -0.0349 -0.0241 365 THR A OG1 2199 C CG2 . THR A 286 ? 0.1318 0.1642 0.1809 -0.0013 -0.0231 -0.0198 365 THR A CG2 2200 N N . VAL A 287 ? 0.1295 0.1536 0.1664 0.0253 -0.0377 0.0134 366 VAL A N 2201 C CA . VAL A 287 ? 0.1290 0.1682 0.1917 0.0216 -0.0607 0.0126 366 VAL A CA 2202 C C . VAL A 287 ? 0.1681 0.1890 0.1852 0.0065 -0.0316 0.0169 366 VAL A C 2203 O O . VAL A 287 ? 0.1788 0.2086 0.2138 -0.0051 -0.0222 0.0076 366 VAL A O 2204 C CB . VAL A 287 ? 0.1413 0.1723 0.2104 0.0054 -0.0608 0.0141 366 VAL A CB 2205 C CG1 . VAL A 287 ? 0.1533 0.1903 0.2405 -0.0068 -0.0720 0.0295 366 VAL A CG1 2206 C CG2 . VAL A 287 ? 0.1659 0.1790 0.1974 0.0152 -0.0745 -0.0153 366 VAL A CG2 2207 N N . SER A 288 ? 0.2003 0.1768 0.1612 -0.0019 -0.0278 -0.0280 367 SER A N 2208 C CA . SER A 288 ? 0.2112 0.1740 0.1769 -0.0231 -0.0082 -0.0221 367 SER A CA 2209 C C . SER A 288 ? 0.2052 0.1749 0.1937 -0.0178 -0.0261 -0.0135 367 SER A C 2210 O O . SER A 288 ? 0.2086 0.1754 0.2039 -0.0044 -0.0424 0.0014 367 SER A O 2211 C CB . SER A 288 ? 0.2253 0.1732 0.1308 -0.0084 -0.0076 -0.0421 367 SER A CB 2212 O OG . SER A 288 ? 0.2369 0.1790 0.1992 -0.0118 -0.0228 -0.0148 367 SER A OG 2213 N N . ILE A 289 ? 0.2048 0.1885 0.2249 -0.0207 -0.0532 -0.0084 368 ILE A N 2214 C CA . ILE A 289 ? 0.1935 0.1889 0.2349 -0.0288 -0.0570 -0.0014 368 ILE A CA 2215 C C . ILE A 289 ? 0.2106 0.1871 0.2247 -0.0106 -0.0679 0.0053 368 ILE A C 2216 O O . ILE A 289 ? 0.2030 0.1706 0.2442 -0.0051 -0.0563 0.0336 368 ILE A O 2217 C CB . ILE A 289 ? 0.1790 0.2133 0.2413 -0.0235 -0.0876 -0.0270 368 ILE A CB 2218 C CG1 . ILE A 289 ? 0.1660 0.2336 0.2663 -0.0421 -0.1178 -0.0188 368 ILE A CG1 2219 C CG2 . ILE A 289 ? 0.1805 0.2141 0.3025 -0.0054 -0.0393 -0.0147 368 ILE A CG2 2220 C CD1 . ILE A 289 ? 0.1668 0.2431 0.2905 -0.0291 -0.1367 -0.0269 368 ILE A CD1 2221 N N . SER A 290 ? 0.2445 0.1990 0.2374 0.0070 -0.0791 0.0070 369 SER A N 2222 C CA . SER A 290 ? 0.2749 0.2366 0.2332 0.0203 -0.0799 -0.0046 369 SER A CA 2223 C C . SER A 290 ? 0.2827 0.2236 0.2727 0.0296 -0.0598 -0.0100 369 SER A C 2224 O O . SER A 290 ? 0.2824 0.2313 0.3421 0.0465 -0.0588 -0.0122 369 SER A O 2225 C CB . SER A 290 ? 0.3225 0.2700 0.2481 0.0148 -0.0903 0.0194 369 SER A CB 2226 O OG . SER A 290 ? 0.3630 0.3119 0.2615 -0.0050 -0.0827 -0.0029 369 SER A OG 2227 N N . SER A 291 ? 0.2654 0.2102 0.2220 0.0197 -0.0597 -0.0228 370 SER A N 2228 C CA . SER A 291 ? 0.2651 0.2147 0.2011 0.0315 -0.0429 -0.0228 370 SER A CA 2229 C C . SER A 291 ? 0.2251 0.1835 0.1586 0.0267 -0.0368 -0.0020 370 SER A C 2230 O O . SER A 291 ? 0.2093 0.1832 0.1657 0.0137 -0.0056 0.0245 370 SER A O 2231 C CB . SER A 291 ? 0.3205 0.2511 0.2502 0.0465 -0.0315 0.0089 370 SER A CB 2232 O OG . SER A 291 ? 0.3820 0.3085 0.3053 0.0303 -0.0189 0.0043 370 SER A OG 2233 N N . ARG A 292 ? 0.2316 0.1805 0.1802 0.0214 -0.0341 -0.0130 371 ARG A N 2234 C CA . ARG A 292 ? 0.1971 0.1821 0.1542 0.0065 -0.0233 0.0012 371 ARG A CA 2235 C C . ARG A 292 ? 0.1986 0.2053 0.1749 -0.0015 -0.0229 -0.0077 371 ARG A C 2236 O O . ARG A 292 ? 0.1814 0.2337 0.1795 0.0054 -0.0001 -0.0014 371 ARG A O 2237 C CB . ARG A 292 ? 0.1766 0.1716 0.1858 0.0166 0.0026 0.0259 371 ARG A CB 2238 C CG . ARG A 292 ? 0.1782 0.1689 0.1589 0.0349 0.0208 0.0299 371 ARG A CG 2239 C CD . ARG A 292 ? 0.1811 0.1511 0.1259 0.0411 -0.0011 0.0281 371 ARG A CD 2240 N NE . ARG A 292 ? 0.1751 0.1449 0.1085 0.0041 -0.0029 0.0277 371 ARG A NE 2241 C CZ . ARG A 292 ? 0.1741 0.1547 0.1428 -0.0089 0.0161 0.0005 371 ARG A CZ 2242 N NH1 . ARG A 292 ? 0.1579 0.1705 0.1548 -0.0263 0.0299 -0.0071 371 ARG A NH1 2243 N NH2 . ARG A 292 ? 0.1695 0.1433 0.1394 -0.0145 0.0002 -0.0168 371 ARG A NH2 2244 N N . SER A 293 ? 0.2058 0.1907 0.1589 0.0051 -0.0296 -0.0136 372 SER A N 2245 C CA . SER A 293 ? 0.2221 0.1974 0.1354 0.0069 0.0003 0.0075 372 SER A CA 2246 C C . SER A 293 ? 0.1755 0.1673 0.1595 0.0173 -0.0072 0.0142 372 SER A C 2247 O O . SER A 293 ? 0.1830 0.1517 0.1571 0.0038 -0.0118 0.0138 372 SER A O 2248 C CB . SER A 293 ? 0.2449 0.2466 0.1980 -0.0182 -0.0140 -0.0234 372 SER A CB 2249 O OG . SER A 293 ? 0.2701 0.2601 0.2401 -0.0232 -0.0375 0.0172 372 SER A OG 2250 N N . GLY A 294 ? 0.1521 0.1329 0.1502 0.0271 -0.0194 -0.0065 373 GLY A N 2251 C CA . GLY A 294 ? 0.1447 0.1429 0.1140 0.0364 -0.0044 -0.0131 373 GLY A CA 2252 C C . GLY A 294 ? 0.1345 0.1367 0.1378 0.0303 -0.0051 -0.0120 373 GLY A C 2253 O O . GLY A 294 ? 0.1123 0.1414 0.1643 0.0315 -0.0043 0.0001 373 GLY A O 2254 N N . PHE A 295 ? 0.1185 0.1432 0.1031 0.0103 0.0146 -0.0186 374 PHE A N 2255 C CA . PHE A 295 ? 0.1218 0.1514 0.1381 0.0030 -0.0171 -0.0034 374 PHE A CA 2256 C C . PHE A 295 ? 0.1234 0.1511 0.1393 0.0003 -0.0027 -0.0122 374 PHE A C 2257 O O . PHE A 295 ? 0.1296 0.1402 0.1400 -0.0077 0.0030 -0.0104 374 PHE A O 2258 C CB . PHE A 295 ? 0.1278 0.1397 0.1208 -0.0053 -0.0414 0.0267 374 PHE A CB 2259 C CG . PHE A 295 ? 0.1239 0.1375 0.1563 -0.0069 -0.0154 0.0107 374 PHE A CG 2260 C CD1 . PHE A 295 ? 0.0996 0.1248 0.1767 -0.0041 -0.0040 0.0105 374 PHE A CD1 2261 C CD2 . PHE A 295 ? 0.1291 0.1549 0.1627 -0.0027 -0.0244 0.0078 374 PHE A CD2 2262 C CE1 . PHE A 295 ? 0.1100 0.1365 0.1452 0.0041 -0.0060 0.0205 374 PHE A CE1 2263 C CE2 . PHE A 295 ? 0.1313 0.1262 0.1785 -0.0103 0.0026 0.0171 374 PHE A CE2 2264 C CZ . PHE A 295 ? 0.1280 0.1295 0.1588 -0.0002 0.0063 -0.0102 374 PHE A CZ 2265 N N . GLU A 296 ? 0.1143 0.1413 0.1565 -0.0049 0.0210 0.0015 375 GLU A N 2266 C CA . GLU A 296 ? 0.1088 0.1460 0.1648 0.0298 0.0217 -0.0121 375 GLU A CA 2267 C C . GLU A 296 ? 0.1190 0.1418 0.1605 0.0333 0.0416 -0.0318 375 GLU A C 2268 O O . GLU A 296 ? 0.1300 0.1255 0.1731 0.0189 0.0337 0.0098 375 GLU A O 2269 C CB . GLU A 296 ? 0.1193 0.1631 0.2140 0.0206 0.0110 -0.0023 375 GLU A CB 2270 C CG . GLU A 296 ? 0.1551 0.1502 0.2233 -0.0086 -0.0045 0.0308 375 GLU A CG 2271 C CD . GLU A 296 ? 0.1761 0.1599 0.3383 -0.0089 -0.0168 0.0659 375 GLU A CD 2272 O OE1 . GLU A 296 ? 0.1988 0.1857 0.3751 -0.0097 -0.0052 0.0605 375 GLU A OE1 2273 O OE2 . GLU A 296 ? 0.1838 0.1690 0.3849 -0.0120 -0.0565 0.0684 375 GLU A OE2 2274 N N . ILE A 297 ? 0.1115 0.1715 0.1477 0.0271 0.0530 -0.0278 376 ILE A N 2275 C CA . ILE A 297 ? 0.1173 0.2059 0.1486 -0.0006 0.0343 -0.0319 376 ILE A CA 2276 C C . ILE A 297 ? 0.1296 0.1961 0.2025 0.0080 0.0562 -0.0262 376 ILE A C 2277 O O . ILE A 297 ? 0.1623 0.1785 0.2521 0.0208 0.0726 0.0162 376 ILE A O 2278 C CB . ILE A 297 ? 0.1468 0.2358 0.1695 -0.0386 0.0283 -0.0148 376 ILE A CB 2279 C CG1 . ILE A 297 ? 0.1607 0.2328 0.2373 -0.0355 0.0384 0.0102 376 ILE A CG1 2280 C CG2 . ILE A 297 ? 0.1861 0.2521 0.1555 -0.0351 0.0306 -0.0509 376 ILE A CG2 2281 C CD1 . ILE A 297 ? 0.1992 0.2480 0.3031 -0.0257 0.0303 0.0336 376 ILE A CD1 2282 N N . LEU A 298 ? 0.1086 0.2096 0.1891 -0.0263 0.0416 0.0005 377 LEU A N 2283 C CA . LEU A 298 ? 0.1269 0.2206 0.1634 -0.0214 0.0320 -0.0356 377 LEU A CA 2284 C C . LEU A 298 ? 0.1310 0.2092 0.1385 0.0002 0.0597 -0.0128 377 LEU A C 2285 O O . LEU A 298 ? 0.1455 0.2296 0.1631 0.0088 0.0254 -0.0049 377 LEU A O 2286 C CB . LEU A 298 ? 0.1454 0.2547 0.1776 -0.0314 -0.0219 -0.0599 377 LEU A CB 2287 C CG . LEU A 298 ? 0.1825 0.2937 0.2336 -0.0454 -0.0041 -0.1290 377 LEU A CG 2288 C CD1 . LEU A 298 ? 0.2081 0.3117 0.3020 -0.0108 0.0054 -0.1097 377 LEU A CD1 2289 C CD2 . LEU A 298 ? 0.2125 0.3306 0.2866 -0.0605 -0.0143 -0.1231 377 LEU A CD2 2290 N N . LEU A 299 ? 0.1433 0.1966 0.1531 -0.0070 0.0534 -0.0171 378 LEU A N 2291 C CA . LEU A 299 ? 0.1452 0.1866 0.1787 0.0071 0.0505 -0.0416 378 LEU A CA 2292 C C . LEU A 299 ? 0.1434 0.1871 0.2244 -0.0022 0.0530 -0.0231 378 LEU A C 2293 O O . LEU A 299 ? 0.1478 0.1685 0.2682 0.0068 0.0746 -0.0404 378 LEU A O 2294 C CB . LEU A 299 ? 0.1512 0.1958 0.1861 0.0120 0.0597 -0.0507 378 LEU A CB 2295 C CG . LEU A 299 ? 0.1554 0.2012 0.1814 0.0162 0.0438 -0.0320 378 LEU A CG 2296 C CD1 . LEU A 299 ? 0.1409 0.2091 0.1726 0.0133 0.0569 -0.0192 378 LEU A CD1 2297 C CD2 . LEU A 299 ? 0.1858 0.2179 0.2583 0.0331 0.0612 -0.0298 378 LEU A CD2 2298 N N . ILE A 300 ? 0.1391 0.1942 0.1934 -0.0268 0.0670 -0.0019 379 ILE A N 2299 C CA . ILE A 300 ? 0.1460 0.2002 0.2141 -0.0206 0.0591 -0.0173 379 ILE A CA 2300 C C . ILE A 300 ? 0.1412 0.2016 0.2373 -0.0205 0.0830 -0.0078 379 ILE A C 2301 O O . ILE A 300 ? 0.1381 0.2025 0.2305 -0.0203 0.0602 -0.0223 379 ILE A O 2302 C CB . ILE A 300 ? 0.1463 0.2007 0.2073 -0.0366 0.0392 -0.0190 379 ILE A CB 2303 C CG1 . ILE A 300 ? 0.1764 0.2173 0.2161 -0.0354 0.0373 -0.0434 379 ILE A CG1 2304 C CG2 . ILE A 300 ? 0.1226 0.1958 0.2371 -0.0265 0.0263 -0.0235 379 ILE A CG2 2305 C CD1 . ILE A 300 ? 0.1982 0.2377 0.2277 -0.0342 0.0532 -0.0546 379 ILE A CD1 2306 N N . GLU A 301 ? 0.1517 0.2313 0.2573 -0.0118 0.1077 -0.0178 380 GLU A N 2307 C CA . GLU A 301 ? 0.1453 0.2444 0.2767 0.0049 0.0977 0.0031 380 GLU A CA 2308 C C . GLU A 301 ? 0.1565 0.2412 0.2717 -0.0012 0.0599 0.0108 380 GLU A C 2309 O O . GLU A 301 ? 0.1723 0.2319 0.2482 -0.0224 0.0304 0.0089 380 GLU A O 2310 C CB . GLU A 301 ? 0.1695 0.2760 0.3111 0.0534 0.1349 -0.0169 380 GLU A CB 2311 C CG . GLU A 301 ? 0.2175 0.3208 0.3854 0.0634 0.1244 -0.0420 380 GLU A CG 2312 C CD . GLU A 301 ? 0.2693 0.3659 0.4928 0.0632 0.0778 -0.0724 380 GLU A CD 2313 O OE1 . GLU A 301 ? 0.2883 0.3915 0.5304 0.0629 0.0393 -0.0635 380 GLU A OE1 2314 O OE2 . GLU A 301 ? 0.3131 0.3931 0.5591 0.0579 0.0645 -0.0727 380 GLU A OE2 2315 N N . ASP A 302 ? 0.1524 0.2395 0.2437 0.0110 0.0735 0.0273 381 ASP A N 2316 C CA . ASP A 302 ? 0.1513 0.2493 0.2580 -0.0256 0.0776 -0.0142 381 ASP A CA 2317 C C . ASP A 302 ? 0.1402 0.2469 0.2373 -0.0315 0.0654 -0.0137 381 ASP A C 2318 O O . ASP A 302 ? 0.1489 0.2548 0.2271 -0.0350 0.0650 -0.0112 381 ASP A O 2319 C CB . ASP A 302 ? 0.1621 0.2750 0.2893 -0.0086 0.1025 -0.0429 381 ASP A CB 2320 C CG . ASP A 302 ? 0.1800 0.3118 0.3713 -0.0046 0.0961 -0.0169 381 ASP A CG 2321 O OD1 . ASP A 302 ? 0.1916 0.3138 0.4055 -0.0089 0.0832 -0.0086 381 ASP A OD1 2322 O OD2 . ASP A 302 ? 0.2040 0.3397 0.4070 0.0157 0.0758 0.0037 381 ASP A OD2 2323 N N . GLY A 303 ? 0.1346 0.2291 0.2021 -0.0211 0.0436 -0.0250 382 GLY A N 2324 C CA . GLY A 303 ? 0.1301 0.2266 0.2396 -0.0065 0.0284 -0.0157 382 GLY A CA 2325 C C . GLY A 303 ? 0.1459 0.2081 0.2279 -0.0100 0.0300 -0.0188 382 GLY A C 2326 O O . GLY A 303 ? 0.1272 0.1844 0.2678 -0.0093 0.0241 -0.0107 382 GLY A O 2327 N N . TRP A 304 ? 0.1533 0.2143 0.2258 -0.0051 0.0333 -0.0142 383 TRP A N 2328 C CA . TRP A 304 ? 0.1679 0.1851 0.2270 -0.0062 0.0406 -0.0077 383 TRP A CA 2329 C C . TRP A 304 ? 0.1783 0.1764 0.2504 -0.0378 0.0549 0.0079 383 TRP A C 2330 O O . TRP A 304 ? 0.1922 0.1712 0.2850 -0.0570 0.0365 0.0019 383 TRP A O 2331 C CB . TRP A 304 ? 0.1769 0.2009 0.2356 0.0189 0.0613 -0.0150 383 TRP A CB 2332 C CG . TRP A 304 ? 0.1907 0.1856 0.2312 0.0056 0.0626 -0.0038 383 TRP A CG 2333 C CD1 . TRP A 304 ? 0.1938 0.1796 0.2443 0.0148 0.0408 -0.0196 383 TRP A CD1 2334 C CD2 . TRP A 304 ? 0.1907 0.1888 0.2057 -0.0031 0.0643 -0.0138 383 TRP A CD2 2335 N NE1 . TRP A 304 ? 0.2127 0.1902 0.2797 -0.0302 0.0491 -0.0017 383 TRP A NE1 2336 C CE2 . TRP A 304 ? 0.1987 0.1948 0.2243 -0.0090 0.0718 -0.0273 383 TRP A CE2 2337 C CE3 . TRP A 304 ? 0.1799 0.2097 0.1887 -0.0016 0.0948 -0.0272 383 TRP A CE3 2338 C CZ2 . TRP A 304 ? 0.2034 0.1941 0.2338 0.0009 0.0712 -0.0183 383 TRP A CZ2 2339 C CZ3 . TRP A 304 ? 0.1834 0.1918 0.2177 0.0089 0.0842 -0.0324 383 TRP A CZ3 2340 C CH2 . TRP A 304 ? 0.1984 0.1902 0.2263 0.0037 0.0583 -0.0254 383 TRP A CH2 2341 N N . ILE A 305 ? 0.1827 0.1897 0.2426 -0.0480 0.0631 0.0007 384 ILE A N 2342 C CA . ILE A 305 ? 0.1966 0.1902 0.2501 -0.0503 0.0500 0.0077 384 ILE A CA 2343 C C . ILE A 305 ? 0.2010 0.2017 0.2550 -0.0459 0.0280 0.0135 384 ILE A C 2344 O O . ILE A 305 ? 0.2202 0.2264 0.3015 -0.0380 0.0156 0.0320 384 ILE A O 2345 C CB . ILE A 305 ? 0.2114 0.2075 0.2584 -0.0403 0.0584 -0.0451 384 ILE A CB 2346 C CG1 . ILE A 305 ? 0.2341 0.2335 0.2049 -0.0261 0.1101 -0.0698 384 ILE A CG1 2347 C CG2 . ILE A 305 ? 0.2190 0.2196 0.3111 -0.0090 0.0114 -0.0473 384 ILE A CG2 2348 C CD1 . ILE A 305 ? 0.2490 0.2643 0.2711 -0.0375 0.0875 -0.0725 384 ILE A CD1 2349 N N . ARG A 306 ? 0.1907 0.2233 0.2300 -0.0483 0.0433 -0.0288 385 ARG A N 2350 C CA . ARG A 306 ? 0.1875 0.2624 0.2664 -0.0164 0.0605 -0.0229 385 ARG A CA 2351 C C . ARG A 306 ? 0.1848 0.2520 0.2722 -0.0168 0.0505 -0.0230 385 ARG A C 2352 O O . ARG A 306 ? 0.1896 0.2582 0.2852 -0.0163 0.0531 -0.0236 385 ARG A O 2353 C CB . ARG A 306 ? 0.2064 0.3071 0.3316 -0.0109 0.0574 -0.0013 385 ARG A CB 2354 C CG . ARG A 306 ? 0.1876 0.3164 0.3871 0.0075 0.0928 0.0001 385 ARG A CG 2355 C CD . ARG A 306 ? 0.2126 0.3445 0.4431 0.0321 0.0989 0.0115 385 ARG A CD 2356 N NE . ARG A 306 ? 0.2202 0.3696 0.4692 0.0441 0.0971 0.0239 385 ARG A NE 2357 C CZ . ARG A 306 ? 0.2391 0.3874 0.4687 0.0508 0.0942 0.0270 385 ARG A CZ 2358 N NH1 . ARG A 306 ? 0.2382 0.3891 0.4288 0.0384 0.1153 0.0184 385 ARG A NH1 2359 N NH2 . ARG A 306 ? 0.2486 0.3908 0.5004 0.0661 0.0807 0.0325 385 ARG A NH2 2360 N N . THR A 307 ? 0.1580 0.2215 0.2811 -0.0173 0.0364 -0.0361 387 THR A N 2361 C CA . THR A 307 ? 0.1544 0.2122 0.2952 -0.0189 0.0418 -0.0328 387 THR A CA 2362 C C . THR A 307 ? 0.1519 0.2114 0.3148 -0.0219 0.0360 -0.0152 387 THR A C 2363 O O . THR A 307 ? 0.1572 0.2249 0.3645 -0.0111 0.0073 0.0003 387 THR A O 2364 C CB . THR A 307 ? 0.1695 0.2273 0.3322 -0.0112 0.0346 -0.0567 387 THR A CB 2365 O OG1 . THR A 307 ? 0.1865 0.2410 0.3407 -0.0143 0.0218 -0.0427 387 THR A OG1 2366 C CG2 . THR A 307 ? 0.1731 0.2225 0.3126 -0.0186 0.0612 -0.0898 387 THR A CG2 2367 N N . SER A 308 ? 0.1678 0.1987 0.3019 -0.0151 0.0197 -0.0232 388 SER A N 2368 C CA . SER A 308 ? 0.1752 0.1978 0.2612 0.0002 0.0064 -0.0230 388 SER A CA 2369 C C . SER A 308 ? 0.1677 0.2299 0.2511 -0.0028 0.0255 0.0003 388 SER A C 2370 O O . SER A 308 ? 0.1761 0.2412 0.2542 -0.0076 0.0485 -0.0003 388 SER A O 2371 C CB . SER A 308 ? 0.1883 0.1719 0.2726 -0.0016 0.0078 -0.0456 388 SER A CB 2372 O OG . SER A 308 ? 0.2085 0.1686 0.2720 0.0196 0.0070 -0.0038 388 SER A OG 2373 N N . LYS A 309 ? 0.1624 0.2549 0.2603 -0.0107 0.0202 -0.0123 389 LYS A N 2374 C CA . LYS A 309 ? 0.1602 0.2656 0.2634 -0.0094 -0.0249 -0.0242 389 LYS A CA 2375 C C . LYS A 309 ? 0.1504 0.2563 0.2760 -0.0128 -0.0157 -0.0018 389 LYS A C 2376 O O . LYS A 309 ? 0.1949 0.2619 0.3024 -0.0100 -0.0061 0.0141 389 LYS A O 2377 C CB . LYS A 309 ? 0.1658 0.2781 0.2615 0.0056 -0.0394 -0.0500 389 LYS A CB 2378 C CG . LYS A 309 ? 0.1744 0.2906 0.2970 0.0235 -0.0562 -0.0724 389 LYS A CG 2379 C CD . LYS A 309 ? 0.1673 0.3008 0.3019 0.0319 -0.0521 -0.0634 389 LYS A CD 2380 C CE . LYS A 309 ? 0.1739 0.3171 0.3506 0.0118 -0.0426 -0.0482 389 LYS A CE 2381 N NZ . LYS A 309 ? 0.1765 0.3292 0.3518 0.0042 -0.0308 -0.0311 389 LYS A NZ 2382 N N . THR A 310 ? 0.1192 0.2370 0.2861 -0.0219 -0.0063 -0.0216 390 THR A N 2383 C CA . THR A 310 ? 0.1426 0.2505 0.3064 -0.0175 0.0185 -0.0048 390 THR A CA 2384 C C . THR A 310 ? 0.1427 0.2613 0.2787 -0.0174 0.0201 0.0193 390 THR A C 2385 O O . THR A 310 ? 0.1560 0.2727 0.2846 -0.0182 0.0391 0.0035 390 THR A O 2386 C CB . THR A 310 ? 0.1413 0.2528 0.3531 -0.0041 0.0540 -0.0105 390 THR A CB 2387 O OG1 . THR A 310 ? 0.1414 0.2577 0.3999 -0.0034 0.0689 -0.0103 390 THR A OG1 2388 C CG2 . THR A 310 ? 0.1603 0.2611 0.3475 -0.0019 0.0526 -0.0230 390 THR A CG2 2389 N N . ILE A 311 ? 0.1509 0.2541 0.2901 -0.0336 0.0163 0.0439 391 ILE A N 2390 C CA . ILE A 311 ? 0.1649 0.2371 0.2937 -0.0148 0.0195 0.0406 391 ILE A CA 2391 C C . ILE A 311 ? 0.1726 0.2374 0.3133 -0.0036 0.0177 0.0198 391 ILE A C 2392 O O . ILE A 311 ? 0.1834 0.2460 0.3936 0.0058 0.0078 0.0092 391 ILE A O 2393 C CB . ILE A 311 ? 0.1869 0.2346 0.2961 -0.0213 -0.0012 0.0341 391 ILE A CB 2394 C CG1 . ILE A 311 ? 0.2203 0.2616 0.2771 -0.0072 -0.0002 0.0278 391 ILE A CG1 2395 C CG2 . ILE A 311 ? 0.1961 0.2296 0.3140 -0.0329 -0.0220 0.0344 391 ILE A CG2 2396 C CD1 . ILE A 311 ? 0.2342 0.2683 0.2723 0.0048 -0.0023 0.0219 391 ILE A CD1 2397 N N . VAL A 312 ? 0.1607 0.2307 0.2528 0.0045 0.0508 -0.0171 392 VAL A N 2398 C CA . VAL A 312 ? 0.1885 0.2296 0.2993 -0.0071 0.0896 -0.0038 392 VAL A CA 2399 C C . VAL A 312 ? 0.1758 0.2178 0.3268 0.0021 0.0790 0.0000 392 VAL A C 2400 O O . VAL A 312 ? 0.1913 0.2097 0.3908 0.0142 0.0559 0.0195 392 VAL A O 2401 C CB . VAL A 312 ? 0.2359 0.2615 0.3374 -0.0205 0.0846 -0.0005 392 VAL A CB 2402 C CG1 . VAL A 312 ? 0.2572 0.2835 0.3813 -0.0336 0.0918 0.0116 392 VAL A CG1 2403 C CG2 . VAL A 312 ? 0.2550 0.2565 0.3421 -0.0131 0.0716 -0.0225 392 VAL A CG2 2404 N N . LYS A 313 ? 0.1486 0.2123 0.2961 0.0167 0.0901 0.0177 393 LYS A N 2405 C CA . LYS A 313 ? 0.1449 0.2261 0.2775 0.0122 0.0588 -0.0114 393 LYS A CA 2406 C C . LYS A 313 ? 0.1278 0.2191 0.2647 0.0090 0.0671 0.0349 393 LYS A C 2407 O O . LYS A 313 ? 0.1125 0.2146 0.2950 0.0040 0.0450 0.0294 393 LYS A O 2408 C CB . LYS A 313 ? 0.1636 0.2451 0.3016 0.0185 0.0303 -0.0325 393 LYS A CB 2409 C CG . LYS A 313 ? 0.1909 0.2686 0.2994 0.0255 -0.0027 -0.0390 393 LYS A CG 2410 C CD . LYS A 313 ? 0.2149 0.2890 0.3432 0.0188 -0.0231 -0.0240 393 LYS A CD 2411 C CE . LYS A 313 ? 0.2504 0.3165 0.4024 0.0341 -0.0418 -0.0313 393 LYS A CE 2412 N NZ . LYS A 313 ? 0.2761 0.3348 0.4515 0.0413 -0.0383 -0.0258 393 LYS A NZ 2413 N N . LYS A 314 ? 0.1516 0.2237 0.2746 0.0162 0.0761 0.0626 394 LYS A N 2414 C CA . LYS A 314 ? 0.1772 0.2316 0.3321 0.0047 0.0928 0.0650 394 LYS A CA 2415 C C . LYS A 314 ? 0.1796 0.2063 0.3572 0.0067 0.1100 0.0655 394 LYS A C 2416 O O . LYS A 314 ? 0.2087 0.2131 0.4576 0.0412 0.1119 0.0871 394 LYS A O 2417 C CB . LYS A 314 ? 0.2024 0.2855 0.3719 -0.0055 0.0639 0.0425 394 LYS A CB 2418 C CG . LYS A 314 ? 0.2514 0.3552 0.4271 0.0063 0.0307 0.0303 394 LYS A CG 2419 C CD . LYS A 314 ? 0.3039 0.4149 0.5259 -0.0063 0.0136 0.0234 394 LYS A CD 2420 C CE . LYS A 314 ? 0.3511 0.4559 0.5839 -0.0245 -0.0028 0.0251 394 LYS A CE 2421 N NZ . LYS A 314 ? 0.3761 0.4820 0.6211 -0.0345 -0.0106 0.0339 394 LYS A NZ 2422 N N . VAL A 315 ? 0.1747 0.1819 0.2668 -0.0119 0.1143 0.0114 395 VAL A N 2423 C CA . VAL A 315 ? 0.1928 0.1750 0.2163 -0.0213 0.0946 0.0074 395 VAL A CA 2424 C C . VAL A 315 ? 0.1694 0.1771 0.1824 -0.0034 0.0443 -0.0063 395 VAL A C 2425 O O . VAL A 315 ? 0.2021 0.1875 0.1903 0.0031 0.0345 -0.0052 395 VAL A O 2426 C CB . VAL A 315 ? 0.2487 0.1779 0.2490 -0.0213 0.0711 0.0128 395 VAL A CB 2427 C CG1 . VAL A 315 ? 0.2836 0.2145 0.2958 -0.0161 0.0436 -0.0144 395 VAL A CG1 2428 C CG2 . VAL A 315 ? 0.2531 0.1898 0.2519 -0.0260 0.0848 0.0020 395 VAL A CG2 2429 N N . GLU A 316 ? 0.1231 0.1684 0.2065 -0.0183 0.0068 -0.0166 396 GLU A N 2430 C CA . GLU A 316 ? 0.1282 0.1751 0.1886 -0.0152 -0.0021 0.0016 396 GLU A CA 2431 C C . GLU A 316 ? 0.1218 0.1726 0.2034 -0.0020 0.0098 0.0195 396 GLU A C 2432 O O . GLU A 316 ? 0.1348 0.1604 0.2098 0.0160 0.0212 0.0156 396 GLU A O 2433 C CB . GLU A 316 ? 0.1468 0.1921 0.1954 0.0061 -0.0056 0.0060 396 GLU A CB 2434 C CG . GLU A 316 ? 0.1729 0.2091 0.2061 0.0136 -0.0101 0.0220 396 GLU A CG 2435 C CD . GLU A 316 ? 0.1934 0.2321 0.2753 0.0029 -0.0295 0.0365 396 GLU A CD 2436 O OE1 . GLU A 316 ? 0.1919 0.2399 0.3191 -0.0012 -0.0217 0.0485 396 GLU A OE1 2437 O OE2 . GLU A 316 ? 0.2218 0.2424 0.2959 0.0015 -0.0618 0.0391 396 GLU A OE2 2438 N N . VAL A 317 ? 0.1217 0.1761 0.1672 0.0290 -0.0053 -0.0172 397 VAL A N 2439 C CA . VAL A 317 ? 0.1347 0.1666 0.1519 0.0201 -0.0153 -0.0138 397 VAL A CA 2440 C C . VAL A 317 ? 0.1358 0.1350 0.1419 0.0283 -0.0165 -0.0233 397 VAL A C 2441 O O . VAL A 317 ? 0.1310 0.1350 0.1586 0.0215 -0.0160 -0.0048 397 VAL A O 2442 C CB . VAL A 317 ? 0.1453 0.1444 0.1288 0.0245 -0.0086 0.0059 397 VAL A CB 2443 C CG1 . VAL A 317 ? 0.1734 0.1581 0.1166 -0.0052 0.0140 -0.0094 397 VAL A CG1 2444 C CG2 . VAL A 317 ? 0.1587 0.1249 0.1702 0.0302 -0.0187 -0.0042 397 VAL A CG2 2445 N N . LEU A 318 ? 0.1299 0.1296 0.1162 0.0059 -0.0075 0.0132 398 LEU A N 2446 C CA . LEU A 318 ? 0.1036 0.1456 0.1361 0.0051 -0.0256 0.0105 398 LEU A CA 2447 C C . LEU A 318 ? 0.1240 0.1537 0.1395 -0.0164 -0.0358 0.0093 398 LEU A C 2448 O O . LEU A 318 ? 0.1172 0.1488 0.1691 -0.0200 -0.0218 -0.0013 398 LEU A O 2449 C CB . LEU A 318 ? 0.0809 0.1524 0.1490 0.0033 -0.0043 -0.0122 398 LEU A CB 2450 C CG . LEU A 318 ? 0.0873 0.1368 0.1674 -0.0069 -0.0150 0.0018 398 LEU A CG 2451 C CD1 . LEU A 318 ? 0.0745 0.1315 0.1900 -0.0523 -0.0088 0.0156 398 LEU A CD1 2452 C CD2 . LEU A 318 ? 0.0875 0.1639 0.2234 0.0221 -0.0153 -0.0319 398 LEU A CD2 2453 N N . ASN A 319 ? 0.1441 0.1822 0.1288 -0.0026 -0.0357 -0.0102 399 ASN A N 2454 C CA . ASN A 319 ? 0.1596 0.1858 0.1700 -0.0029 -0.0696 -0.0074 399 ASN A CA 2455 C C . ASN A 319 ? 0.1440 0.1868 0.1486 0.0029 -0.0242 -0.0100 399 ASN A C 2456 O O . ASN A 319 ? 0.1390 0.1627 0.1624 0.0028 -0.0359 -0.0005 399 ASN A O 2457 C CB . ASN A 319 ? 0.1921 0.2065 0.2291 -0.0073 -0.0523 0.0322 399 ASN A CB 2458 C CG . ASN A 319 ? 0.2171 0.2146 0.2721 -0.0213 -0.0402 0.0524 399 ASN A CG 2459 O OD1 . ASN A 319 ? 0.2469 0.2232 0.3058 -0.0306 -0.0264 0.0412 399 ASN A OD1 2460 N ND2 . ASN A 319 ? 0.2366 0.2420 0.3003 -0.0388 -0.0482 0.0404 399 ASN A ND2 2461 N N . ASN A 320 ? 0.1577 0.1940 0.1689 -0.0276 -0.0272 0.0001 400 ASN A N 2462 C CA . ASN A 320 ? 0.1770 0.2008 0.1603 -0.0350 -0.0357 -0.0175 400 ASN A CA 2463 C C . ASN A 320 ? 0.2106 0.2336 0.1854 -0.0301 -0.0225 -0.0123 400 ASN A C 2464 O O . ASN A 320 ? 0.2755 0.2587 0.2381 -0.0382 0.0275 -0.0158 400 ASN A O 2465 C CB . ASN A 320 ? 0.1905 0.2165 0.2052 -0.0416 -0.0769 -0.0100 400 ASN A CB 2466 C CG . ASN A 320 ? 0.2251 0.2542 0.2410 -0.0308 -0.0851 0.0235 400 ASN A CG 2467 O OD1 . ASN A 320 ? 0.2444 0.2455 0.2620 -0.0353 -0.0486 0.0136 400 ASN A OD1 2468 N ND2 . ASN A 320 ? 0.2681 0.3068 0.2868 -0.0228 -0.0906 0.0126 400 ASN A ND2 2469 N N . LYS A 321 ? 0.1815 0.2691 0.1814 -0.0048 -0.0525 0.0114 401 LYS A N 2470 C CA . LYS A 321 ? 0.2009 0.2969 0.1944 0.0037 -0.0374 0.0401 401 LYS A CA 2471 C C . LYS A 321 ? 0.1796 0.3025 0.1432 0.0062 -0.0214 0.0089 401 LYS A C 2472 O O . LYS A 321 ? 0.1958 0.3534 0.1953 0.0244 -0.0360 0.0262 401 LYS A O 2473 C CB . LYS A 321 ? 0.2555 0.3293 0.2589 0.0074 -0.0130 0.0678 401 LYS A CB 2474 C CG . LYS A 321 ? 0.3136 0.3592 0.3676 0.0092 -0.0169 0.0718 401 LYS A CG 2475 C CD . LYS A 321 ? 0.3753 0.4004 0.4529 0.0044 -0.0270 0.0386 401 LYS A CD 2476 C CE . LYS A 321 ? 0.4194 0.4243 0.5175 0.0001 -0.0407 0.0290 401 LYS A CE 2477 N NZ . LYS A 321 ? 0.4394 0.4404 0.5542 0.0075 -0.0562 0.0128 401 LYS A NZ 2478 N N . ASN A 322 ? 0.1554 0.2555 0.1390 0.0011 -0.0193 0.0235 402 ASN A N 2479 C CA . ASN A 322 ? 0.1484 0.2562 0.1123 -0.0026 -0.0095 -0.0028 402 ASN A CA 2480 C C . ASN A 322 ? 0.1403 0.2494 0.1331 0.0227 0.0016 0.0198 402 ASN A C 2481 O O . ASN A 322 ? 0.1604 0.2445 0.1436 0.0077 -0.0241 0.0196 402 ASN A O 2482 C CB . ASN A 322 ? 0.1625 0.2437 0.1635 -0.0215 -0.0267 -0.0683 402 ASN A CB 2483 C CG . ASN A 322 ? 0.1792 0.2317 0.2238 0.0043 -0.0247 -0.0690 402 ASN A CG 2484 O OD1 . ASN A 322 ? 0.1926 0.2430 0.2346 -0.0092 -0.0348 -0.0144 402 ASN A OD1 2485 N ND2 . ASN A 322 ? 0.1999 0.2043 0.3157 0.0250 -0.0174 -0.0700 402 ASN A ND2 2486 N N . TRP A 323 ? 0.1605 0.2623 0.1775 0.0607 0.0200 0.0428 403 TRP A N 2487 C CA . TRP A 323 ? 0.1620 0.2698 0.1698 0.0666 0.0090 0.0716 403 TRP A CA 2488 C C . TRP A 323 ? 0.1505 0.2583 0.1783 0.0342 0.0045 0.0674 403 TRP A C 2489 O O . TRP A 323 ? 0.1395 0.2620 0.2138 0.0031 0.0272 0.0680 403 TRP A O 2490 C CB . TRP A 323 ? 0.2093 0.3075 0.1571 0.0647 -0.0030 0.0613 403 TRP A CB 2491 C CG . TRP A 323 ? 0.2513 0.3178 0.1725 0.0621 -0.0044 0.0205 403 TRP A CG 2492 C CD1 . TRP A 323 ? 0.2635 0.3327 0.1808 0.0494 0.0075 0.0208 403 TRP A CD1 2493 C CD2 . TRP A 323 ? 0.2674 0.3276 0.1967 0.0531 -0.0343 -0.0049 403 TRP A CD2 2494 N NE1 . TRP A 323 ? 0.2832 0.3410 0.2245 0.0507 -0.0123 0.0138 403 TRP A NE1 2495 C CE2 . TRP A 323 ? 0.2790 0.3376 0.2147 0.0428 -0.0151 0.0060 403 TRP A CE2 2496 C CE3 . TRP A 323 ? 0.2869 0.3342 0.2058 0.0565 -0.0599 -0.0143 403 TRP A CE3 2497 C CZ2 . TRP A 323 ? 0.2961 0.3466 0.2236 0.0327 -0.0355 -0.0158 403 TRP A CZ2 2498 C CZ3 . TRP A 323 ? 0.3009 0.3434 0.2182 0.0453 -0.0671 -0.0388 403 TRP A CZ3 2499 C CH2 . TRP A 323 ? 0.3083 0.3445 0.2164 0.0399 -0.0358 -0.0168 403 TRP A CH2 2500 N N . SER A 324 ? 0.1318 0.2295 0.1443 0.0363 -0.0178 0.0705 404 SER A N 2501 C CA . SER A 324 ? 0.1246 0.2046 0.1282 0.0354 -0.0173 0.0258 404 SER A CA 2502 C C . SER A 324 ? 0.1454 0.1785 0.1069 0.0088 -0.0037 0.0045 404 SER A C 2503 O O . SER A 324 ? 0.1482 0.1759 0.1391 -0.0213 -0.0100 0.0135 404 SER A O 2504 C CB . SER A 324 ? 0.1042 0.1913 0.1494 0.0110 0.0184 -0.0178 404 SER A CB 2505 O OG . SER A 324 ? 0.0962 0.1726 0.1480 -0.0123 -0.0066 -0.0056 404 SER A OG 2506 N N . GLY A 325 ? 0.1363 0.1689 0.1711 -0.0043 0.0090 0.0236 405 GLY A N 2507 C CA . GLY A 325 ? 0.1471 0.1516 0.1289 -0.0086 0.0062 0.0216 405 GLY A CA 2508 C C . GLY A 325 ? 0.1347 0.1442 0.1007 -0.0050 -0.0369 0.0270 405 GLY A C 2509 O O . GLY A 325 ? 0.1342 0.1668 0.1480 -0.0016 -0.0215 -0.0080 405 GLY A O 2510 N N . TYR A 326 ? 0.1318 0.1094 0.0991 -0.0029 -0.0188 0.0052 406 TYR A N 2511 C CA . TYR A 326 ? 0.1110 0.1047 0.1220 0.0150 -0.0063 -0.0159 406 TYR A CA 2512 C C . TYR A 326 ? 0.1049 0.1198 0.0993 -0.0049 0.0122 -0.0058 406 TYR A C 2513 O O . TYR A 326 ? 0.1021 0.1458 0.1599 -0.0104 0.0071 0.0056 406 TYR A O 2514 C CB . TYR A 326 ? 0.0966 0.1113 0.1644 0.0011 -0.0048 0.0010 406 TYR A CB 2515 C CG . TYR A 326 ? 0.1185 0.1239 0.1213 -0.0224 0.0032 -0.0067 406 TYR A CG 2516 C CD1 . TYR A 326 ? 0.1506 0.1382 0.1303 -0.0184 0.0411 -0.0250 406 TYR A CD1 2517 C CD2 . TYR A 326 ? 0.1147 0.1331 0.1252 -0.0083 0.0124 -0.0085 406 TYR A CD2 2518 C CE1 . TYR A 326 ? 0.1654 0.1409 0.1610 -0.0007 0.0137 -0.0272 406 TYR A CE1 2519 C CE2 . TYR A 326 ? 0.1333 0.1185 0.1509 -0.0175 -0.0030 -0.0153 406 TYR A CE2 2520 C CZ . TYR A 326 ? 0.1651 0.1385 0.1507 -0.0073 0.0106 -0.0283 406 TYR A CZ 2521 O OH . TYR A 326 ? 0.1740 0.1522 0.1830 -0.0174 0.0212 -0.0329 406 TYR A OH 2522 N N . SER A 327 ? 0.1165 0.1185 0.0901 0.0003 -0.0003 -0.0095 407 SER A N 2523 C CA . SER A 327 ? 0.1105 0.1144 0.0912 0.0073 -0.0018 -0.0039 407 SER A CA 2524 C C . SER A 327 ? 0.1287 0.1057 0.0925 -0.0192 -0.0130 -0.0105 407 SER A C 2525 O O . SER A 327 ? 0.1523 0.1029 0.1353 -0.0188 -0.0098 -0.0124 407 SER A O 2526 C CB . SER A 327 ? 0.0920 0.1202 0.1442 -0.0059 0.0063 -0.0139 407 SER A CB 2527 O OG . SER A 327 ? 0.0864 0.1299 0.1647 -0.0235 0.0090 -0.0016 407 SER A OG 2528 N N . GLY A 328 ? 0.1066 0.1348 0.0846 -0.0222 -0.0061 0.0065 408 GLY A N 2529 C CA . GLY A 328 ? 0.1147 0.1152 0.0925 -0.0317 -0.0242 0.0060 408 GLY A CA 2530 C C . GLY A 328 ? 0.1315 0.1083 0.1051 -0.0095 0.0192 0.0119 408 GLY A C 2531 O O . GLY A 328 ? 0.1620 0.1190 0.1122 0.0012 0.0241 0.0062 408 GLY A O 2532 N N . ALA A 329 ? 0.1344 0.1368 0.1111 -0.0019 0.0264 0.0019 409 ALA A N 2533 C CA . ALA A 329 ? 0.1234 0.1290 0.1114 -0.0144 0.0259 0.0042 409 ALA A CA 2534 C C . ALA A 329 ? 0.1260 0.1144 0.1309 -0.0146 0.0127 0.0117 409 ALA A C 2535 O O . ALA A 329 ? 0.1534 0.1340 0.1365 -0.0028 0.0032 0.0122 409 ALA A O 2536 C CB . ALA A 329 ? 0.1556 0.1536 0.1559 -0.0422 0.0424 0.0083 409 ALA A CB 2537 N N . PHE A 330 ? 0.1302 0.1242 0.1078 -0.0150 -0.0114 -0.0082 410 PHE A N 2538 C CA . PHE A 330 ? 0.1170 0.1110 0.1189 -0.0045 0.0241 -0.0081 410 PHE A CA 2539 C C . PHE A 330 ? 0.1446 0.1183 0.1401 -0.0037 0.0217 -0.0378 410 PHE A C 2540 O O . PHE A 330 ? 0.1447 0.1372 0.1514 -0.0138 0.0179 -0.0108 410 PHE A O 2541 C CB . PHE A 330 ? 0.1191 0.1109 0.1505 -0.0098 0.0414 0.0250 410 PHE A CB 2542 C CG . PHE A 330 ? 0.1205 0.1104 0.1213 -0.0063 0.0108 -0.0032 410 PHE A CG 2543 C CD1 . PHE A 330 ? 0.1222 0.1271 0.1315 0.0165 0.0442 0.0104 410 PHE A CD1 2544 C CD2 . PHE A 330 ? 0.1280 0.1200 0.1639 -0.0203 0.0380 0.0227 410 PHE A CD2 2545 C CE1 . PHE A 330 ? 0.1317 0.1293 0.1755 0.0212 0.0439 -0.0110 410 PHE A CE1 2546 C CE2 . PHE A 330 ? 0.1335 0.1354 0.1334 -0.0019 0.0273 0.0210 410 PHE A CE2 2547 C CZ . PHE A 330 ? 0.1381 0.1339 0.1280 0.0103 0.0512 0.0013 410 PHE A CZ 2548 N N . THR A 331 ? 0.1691 0.1221 0.1173 -0.0081 0.0009 -0.0487 411 THR A N 2549 C CA . THR A 331 ? 0.1722 0.1369 0.1201 -0.0268 0.0109 -0.0243 411 THR A CA 2550 C C . THR A 331 ? 0.1734 0.1553 0.1487 -0.0340 0.0081 -0.0379 411 THR A C 2551 O O . THR A 331 ? 0.1689 0.1701 0.1864 -0.0601 0.0094 -0.0460 411 THR A O 2552 C CB . THR A 331 ? 0.1748 0.1320 0.1598 -0.0374 0.0335 -0.0188 411 THR A CB 2553 O OG1 . THR A 331 ? 0.1946 0.1489 0.1565 -0.0311 0.0329 -0.0002 411 THR A OG1 2554 C CG2 . THR A 331 ? 0.1576 0.1462 0.2062 -0.0364 0.0427 -0.0356 411 THR A CG2 2555 N N . ILE A 332 ? 0.1790 0.1466 0.1524 -0.0506 0.0187 -0.0647 412 ILE A N 2556 C CA . ILE A 332 ? 0.2086 0.1709 0.1169 -0.0541 0.0216 -0.0655 412 ILE A CA 2557 C C . ILE A 332 ? 0.2187 0.1975 0.1182 -0.0465 0.0235 -0.0531 412 ILE A C 2558 O O . ILE A 332 ? 0.2064 0.2171 0.1762 -0.0374 0.0183 -0.0590 412 ILE A O 2559 C CB . ILE A 332 ? 0.2555 0.1615 0.1905 -0.0665 -0.0024 -0.0417 412 ILE A CB 2560 C CG1 . ILE A 332 ? 0.3285 0.1839 0.2815 -0.0680 -0.0335 -0.0231 412 ILE A CG1 2561 C CG2 . ILE A 332 ? 0.2479 0.1495 0.1668 -0.0708 -0.0077 -0.0440 412 ILE A CG2 2562 C CD1 . ILE A 332 ? 0.3566 0.2041 0.3205 -0.0430 -0.0479 -0.0089 412 ILE A CD1 2563 N N . PRO A 333 ? 0.2619 0.2124 0.1565 -0.0370 0.0266 -0.0352 413 PRO A N 2564 C CA . PRO A 333 ? 0.3021 0.2306 0.1841 -0.0369 0.0509 -0.0631 413 PRO A CA 2565 C C . PRO A 333 ? 0.3612 0.2411 0.2158 -0.0757 0.0721 -0.0767 413 PRO A C 2566 O O . PRO A 333 ? 0.3668 0.2234 0.2244 -0.0833 0.0958 -0.1002 413 PRO A O 2567 C CB . PRO A 333 ? 0.2785 0.2485 0.2584 -0.0195 0.0191 -0.0377 413 PRO A CB 2568 C CG . PRO A 333 ? 0.2754 0.2535 0.2551 -0.0151 0.0261 0.0006 413 PRO A CG 2569 C CD . PRO A 333 ? 0.2504 0.2241 0.1861 -0.0260 0.0311 0.0109 413 PRO A CD 2570 N N . ILE A 334 A 0.3980 0.2723 0.1764 -0.1040 0.0974 -0.1031 413 ILE A N 2571 C CA . ILE A 334 A 0.4442 0.3283 0.2400 -0.1192 0.1217 -0.1014 413 ILE A CA 2572 C C . ILE A 334 A 0.4933 0.3631 0.2845 -0.1444 0.0538 -0.0860 413 ILE A C 2573 O O . ILE A 334 A 0.5144 0.3583 0.2823 -0.1422 0.0528 -0.0756 413 ILE A O 2574 C CB . ILE A 334 A 0.4688 0.3611 0.2514 -0.0840 0.1665 -0.1009 413 ILE A CB 2575 C CG1 . ILE A 334 A 0.4942 0.3862 0.3407 -0.0561 0.1423 -0.0789 413 ILE A CG1 2576 C CG2 . ILE A 334 A 0.4772 0.3853 0.3265 -0.0721 0.1442 -0.0575 413 ILE A CG2 2577 C CD1 . ILE A 334 A 0.4977 0.3840 0.3145 -0.0448 0.1512 -0.0816 413 ILE A CD1 2578 N N . THR A 335 B 0.5213 0.4198 0.3182 -0.1492 0.0330 -0.0839 413 THR A N 2579 C CA . THR A 335 B 0.5506 0.4838 0.4287 -0.1376 -0.0184 -0.0633 413 THR A CA 2580 C C . THR A 335 B 0.5724 0.5416 0.5269 -0.1345 -0.0079 -0.0715 413 THR A C 2581 O O . THR A 335 B 0.5823 0.5528 0.5395 -0.1355 -0.0058 -0.0976 413 THR A O 2582 C CB . THR A 335 B 0.5556 0.4847 0.4667 -0.1238 -0.0511 -0.0547 413 THR A CB 2583 O OG1 . THR A 335 B 0.5488 0.4826 0.4809 -0.1320 -0.1085 -0.0448 413 THR A OG1 2584 C CG2 . THR A 335 B 0.5558 0.4784 0.5052 -0.1241 -0.0584 -0.0455 413 THR A CG2 2585 N N . MET A 336 C 0.5810 0.5752 0.6037 -0.1321 0.0003 -0.0627 413 MET A N 2586 C CA . MET A 336 C 0.6018 0.6080 0.6768 -0.1121 0.0104 -0.0603 413 MET A CA 2587 C C . MET A 336 C 0.5715 0.5715 0.5850 -0.1322 0.0513 -0.0712 413 MET A C 2588 O O . MET A 336 C 0.5867 0.5884 0.5828 -0.1453 0.0459 -0.0584 413 MET A O 2589 C CB . MET A 336 C 0.6473 0.6696 0.8043 -0.0864 -0.0085 -0.0432 413 MET A CB 2590 C CG . MET A 336 C 0.6916 0.7275 0.9097 -0.0666 -0.0245 -0.0385 413 MET A CG 2591 S SD . MET A 336 C 0.7308 0.7872 0.9929 -0.0546 -0.0353 -0.0255 413 MET A SD 2592 C CE . MET A 336 C 0.7387 0.7974 1.0130 -0.0409 -0.0246 -0.0314 413 MET A CE 2593 N N . THR A 337 D 0.5269 0.5098 0.4676 -0.1389 0.0968 -0.1044 413 THR A N 2594 C CA . THR A 337 D 0.4809 0.4457 0.3886 -0.1167 0.1523 -0.1387 413 THR A CA 2595 C C . THR A 337 D 0.4799 0.4158 0.4220 -0.1050 0.1326 -0.0877 413 THR A C 2596 O O . THR A 337 D 0.4996 0.4432 0.4801 -0.1045 0.1214 -0.0840 413 THR A O 2597 C CB . THR A 337 D 0.4458 0.4281 0.3500 -0.0988 0.1668 -0.1645 413 THR A CB 2598 O OG1 . THR A 337 D 0.4258 0.4106 0.3401 -0.1016 0.1520 -0.1552 413 THR A OG1 2599 C CG2 . THR A 337 D 0.4421 0.4321 0.3759 -0.0944 0.1632 -0.1430 413 THR A CG2 2600 N N . SER A 338 ? 0.4361 0.3393 0.4056 -0.0793 0.1535 -0.0662 414 SER A N 2601 C CA . SER A 338 ? 0.4232 0.3199 0.3927 -0.0662 0.1466 -0.0538 414 SER A CA 2602 C C . SER A 338 ? 0.4057 0.3367 0.4366 -0.0544 0.1476 -0.0914 414 SER A C 2603 O O . SER A 338 ? 0.4136 0.3512 0.4730 -0.0467 0.1323 -0.1270 414 SER A O 2604 C CB . SER A 338 ? 0.4292 0.3030 0.3647 -0.0456 0.1467 -0.0137 414 SER A CB 2605 O OG . SER A 338 ? 0.4410 0.2837 0.3395 -0.0326 0.1372 0.0270 414 SER A OG 2606 N N . LYS A 339 ? 0.3925 0.3337 0.4360 -0.0564 0.1360 -0.0832 415 LYS A N 2607 C CA . LYS A 339 ? 0.3865 0.3482 0.4244 -0.0483 0.1074 -0.0835 415 LYS A CA 2608 C C . LYS A 339 ? 0.3784 0.3319 0.3775 -0.0420 0.0967 -0.1355 415 LYS A C 2609 O O . LYS A 339 ? 0.3621 0.3324 0.3807 -0.0303 0.0913 -0.1706 415 LYS A O 2610 C CB . LYS A 339 ? 0.3945 0.3723 0.4149 -0.0428 0.0895 -0.0561 415 LYS A CB 2611 C CG . LYS A 339 ? 0.4187 0.4105 0.4473 -0.0490 0.0521 -0.0329 415 LYS A CG 2612 C CD . LYS A 339 ? 0.4348 0.4417 0.4662 -0.0510 0.0094 -0.0439 415 LYS A CD 2613 C CE . LYS A 339 ? 0.4449 0.4792 0.5081 -0.0495 -0.0244 -0.0517 415 LYS A CE 2614 N NZ . LYS A 339 ? 0.4599 0.5047 0.5561 -0.0365 -0.0291 -0.0484 415 LYS A NZ 2615 N N . GLN A 340 ? 0.3768 0.3284 0.3125 -0.0433 0.1278 -0.1336 416 GLN A N 2616 C CA . GLN A 340 ? 0.3869 0.3223 0.2839 -0.0333 0.1012 -0.1054 416 GLN A CA 2617 C C . GLN A 340 ? 0.3555 0.2785 0.2124 -0.0260 0.0954 -0.0811 416 GLN A C 2618 O O . GLN A 340 ? 0.3710 0.2795 0.2086 -0.0167 0.0784 -0.0763 416 GLN A O 2619 C CB . GLN A 340 ? 0.4368 0.3567 0.3300 -0.0276 0.1032 -0.1111 416 GLN A CB 2620 C CG . GLN A 340 ? 0.4882 0.4053 0.4463 -0.0300 0.0608 -0.0904 416 GLN A CG 2621 C CD . GLN A 340 ? 0.5347 0.4432 0.5365 -0.0233 0.0412 -0.0693 416 GLN A CD 2622 O OE1 . GLN A 340 ? 0.5570 0.4629 0.5619 -0.0151 0.0296 -0.0640 416 GLN A OE1 2623 N NE2 . GLN A 340 ? 0.5486 0.4527 0.5704 -0.0315 0.0425 -0.0680 416 GLN A NE2 2624 N N . CYS A 341 ? 0.3107 0.2415 0.1963 -0.0192 0.0832 -0.0719 417 CYS A N 2625 C CA . CYS A 341 ? 0.2673 0.2019 0.1758 -0.0114 0.0606 -0.0458 417 CYS A CA 2626 C C . CYS A 341 ? 0.2303 0.1707 0.1637 -0.0168 0.0770 -0.0390 417 CYS A C 2627 O O . CYS A 341 ? 0.2387 0.1838 0.1812 -0.0290 0.0652 -0.0130 417 CYS A O 2628 C CB . CYS A 341 ? 0.2691 0.1959 0.2174 -0.0087 0.0519 -0.0281 417 CYS A CB 2629 S SG . CYS A 341 ? 0.2866 0.2160 0.3408 -0.0068 0.0383 -0.0318 417 CYS A SG 2630 N N . LEU A 342 ? 0.2020 0.1494 0.1432 -0.0030 0.0504 -0.0454 418 LEU A N 2631 C CA . LEU A 342 ? 0.1892 0.1469 0.1406 -0.0167 0.0389 -0.0216 418 LEU A CA 2632 C C . LEU A 342 ? 0.1870 0.1661 0.1434 -0.0239 0.0302 -0.0234 418 LEU A C 2633 O O . LEU A 342 ? 0.1575 0.1906 0.1763 -0.0323 0.0159 -0.0097 418 LEU A O 2634 C CB . LEU A 342 ? 0.2010 0.1459 0.1877 -0.0105 0.0230 -0.0250 418 LEU A CB 2635 C CG . LEU A 342 ? 0.1925 0.1507 0.2259 -0.0124 0.0279 -0.0255 418 LEU A CG 2636 C CD1 . LEU A 342 ? 0.2071 0.1529 0.2414 -0.0217 0.0358 -0.0222 418 LEU A CD1 2637 C CD2 . LEU A 342 ? 0.1977 0.1762 0.2598 -0.0173 0.0079 -0.0238 418 LEU A CD2 2638 N N . VAL A 343 ? 0.1947 0.1349 0.1230 -0.0170 0.0306 -0.0273 419 VAL A N 2639 C CA . VAL A 343 ? 0.1747 0.1446 0.1247 -0.0345 0.0426 -0.0171 419 VAL A CA 2640 C C . VAL A 343 ? 0.1543 0.1553 0.1395 -0.0172 0.0395 -0.0121 419 VAL A C 2641 O O . VAL A 343 ? 0.1299 0.1750 0.1715 -0.0097 0.0381 -0.0105 419 VAL A O 2642 C CB . VAL A 343 ? 0.1778 0.1505 0.1736 -0.0311 0.0267 -0.0343 419 VAL A CB 2643 C CG1 . VAL A 343 ? 0.1681 0.1610 0.2010 -0.0148 -0.0058 -0.0480 419 VAL A CG1 2644 C CG2 . VAL A 343 ? 0.1929 0.1476 0.2151 -0.0150 0.0263 -0.0543 419 VAL A CG2 2645 N N . PRO A 344 ? 0.1457 0.1505 0.1119 -0.0003 0.0506 -0.0271 420 PRO A N 2646 C CA . PRO A 344 ? 0.1426 0.1389 0.1231 0.0061 0.0622 -0.0211 420 PRO A CA 2647 C C . PRO A 344 ? 0.1493 0.1265 0.1247 0.0071 0.0254 0.0044 420 PRO A C 2648 O O . PRO A 344 ? 0.1579 0.1400 0.1617 0.0307 0.0462 0.0276 420 PRO A O 2649 C CB . PRO A 344 ? 0.1533 0.1555 0.1858 0.0187 0.0441 -0.0314 420 PRO A CB 2650 C CG . PRO A 344 ? 0.1545 0.1596 0.1495 0.0005 0.0389 -0.0652 420 PRO A CG 2651 C CD . PRO A 344 ? 0.1535 0.1811 0.1408 -0.0002 0.0168 -0.0536 420 PRO A CD 2652 N N . CYS A 345 ? 0.1393 0.1414 0.1177 -0.0132 0.0201 -0.0177 421 CYS A N 2653 C CA . CYS A 345 ? 0.1410 0.1338 0.1338 -0.0246 0.0081 -0.0042 421 CYS A CA 2654 C C . CYS A 345 ? 0.1357 0.1169 0.1112 -0.0046 0.0217 0.0006 421 CYS A C 2655 O O . CYS A 345 ? 0.1370 0.1331 0.1298 -0.0065 0.0259 0.0104 421 CYS A O 2656 C CB . CYS A 345 ? 0.1353 0.1186 0.1597 -0.0294 -0.0083 -0.0044 421 CYS A CB 2657 S SG . CYS A 345 ? 0.1600 0.1390 0.1563 -0.0111 0.0035 0.0017 421 CYS A SG 2658 N N . PHE A 346 ? 0.1350 0.1210 0.0850 0.0051 0.0155 0.0020 422 PHE A N 2659 C CA . PHE A 346 ? 0.1105 0.1568 0.0745 -0.0039 0.0025 -0.0140 422 PHE A CA 2660 C C . PHE A 346 ? 0.1231 0.1353 0.1127 -0.0024 0.0158 0.0146 422 PHE A C 2661 O O . PHE A 346 ? 0.1124 0.1308 0.1383 -0.0166 0.0205 -0.0008 422 PHE A O 2662 C CB . PHE A 346 ? 0.0809 0.1534 0.1280 -0.0151 -0.0240 0.0143 422 PHE A CB 2663 C CG . PHE A 346 ? 0.0941 0.1603 0.0987 -0.0216 -0.0109 -0.0015 422 PHE A CG 2664 C CD1 . PHE A 346 ? 0.0758 0.1647 0.1504 -0.0150 -0.0212 0.0191 422 PHE A CD1 2665 C CD2 . PHE A 346 ? 0.1094 0.1643 0.1303 -0.0140 -0.0311 0.0204 422 PHE A CD2 2666 C CE1 . PHE A 346 ? 0.1001 0.1687 0.1406 -0.0328 -0.0073 0.0130 422 PHE A CE1 2667 C CE2 . PHE A 346 ? 0.1151 0.1852 0.1419 -0.0080 0.0136 -0.0024 422 PHE A CE2 2668 C CZ . PHE A 346 ? 0.1086 0.1786 0.1493 -0.0270 0.0230 0.0178 422 PHE A CZ 2669 N N . TRP A 347 ? 0.1357 0.1353 0.0915 -0.0079 0.0147 -0.0153 423 TRP A N 2670 C CA . TRP A 347 ? 0.1140 0.1283 0.1022 -0.0048 0.0028 -0.0087 423 TRP A CA 2671 C C . TRP A 347 ? 0.0946 0.1167 0.1289 -0.0162 -0.0140 -0.0047 423 TRP A C 2672 O O . TRP A 347 ? 0.0903 0.1298 0.1289 -0.0151 0.0013 -0.0260 423 TRP A O 2673 C CB . TRP A 347 ? 0.1063 0.1224 0.1506 -0.0098 -0.0014 -0.0037 423 TRP A CB 2674 C CG . TRP A 347 ? 0.1245 0.1138 0.1311 -0.0047 -0.0289 0.0096 423 TRP A CG 2675 C CD1 . TRP A 347 ? 0.1350 0.1163 0.1536 0.0042 -0.0177 0.0314 423 TRP A CD1 2676 C CD2 . TRP A 347 ? 0.1232 0.1067 0.1266 -0.0195 -0.0374 -0.0091 423 TRP A CD2 2677 N NE1 . TRP A 347 ? 0.1172 0.0954 0.1351 -0.0233 -0.0207 -0.0004 423 TRP A NE1 2678 C CE2 . TRP A 347 ? 0.1114 0.1155 0.1277 -0.0180 -0.0378 -0.0134 423 TRP A CE2 2679 C CE3 . TRP A 347 ? 0.1284 0.1070 0.1308 -0.0006 -0.0375 -0.0395 423 TRP A CE3 2680 C CZ2 . TRP A 347 ? 0.1233 0.1328 0.1310 -0.0121 -0.0388 -0.0098 423 TRP A CZ2 2681 C CZ3 . TRP A 347 ? 0.1486 0.1263 0.1334 -0.0175 -0.0201 0.0015 423 TRP A CZ3 2682 C CH2 . TRP A 347 ? 0.1453 0.1349 0.1430 0.0017 -0.0465 -0.0125 423 TRP A CH2 2683 N N . LEU A 348 ? 0.1081 0.1439 0.1000 -0.0069 -0.0090 -0.0276 424 LEU A N 2684 C CA . LEU A 348 ? 0.1061 0.1407 0.1173 -0.0025 -0.0090 -0.0119 424 LEU A CA 2685 C C . LEU A 348 ? 0.1179 0.1138 0.0973 -0.0182 0.0133 -0.0188 424 LEU A C 2686 O O . LEU A 348 ? 0.1485 0.0944 0.1705 -0.0269 0.0101 -0.0344 424 LEU A O 2687 C CB . LEU A 348 ? 0.1147 0.1525 0.1235 0.0033 -0.0424 0.0004 424 LEU A CB 2688 C CG . LEU A 348 ? 0.1028 0.1651 0.1668 -0.0075 -0.0380 -0.0056 424 LEU A CG 2689 C CD1 . LEU A 348 ? 0.1028 0.1769 0.1945 -0.0046 -0.0233 -0.0089 424 LEU A CD1 2690 C CD2 . LEU A 348 ? 0.1220 0.1642 0.2133 0.0068 -0.0335 0.0032 424 LEU A CD2 2691 N N . GLU A 349 ? 0.1171 0.1199 0.0815 0.0145 0.0295 -0.0128 425 GLU A N 2692 C CA . GLU A 349 ? 0.1111 0.1349 0.1105 0.0148 -0.0171 0.0280 425 GLU A CA 2693 C C . GLU A 349 ? 0.1320 0.1480 0.1240 0.0198 0.0031 0.0220 425 GLU A C 2694 O O . GLU A 349 ? 0.1370 0.1530 0.1277 0.0175 -0.0080 -0.0030 425 GLU A O 2695 C CB . GLU A 349 ? 0.1301 0.1523 0.1756 0.0302 0.0041 0.0112 425 GLU A CB 2696 C CG . GLU A 349 ? 0.1320 0.1442 0.1800 0.0181 0.0369 0.0142 425 GLU A CG 2697 C CD . GLU A 349 ? 0.1271 0.1436 0.1662 0.0204 0.0263 0.0146 425 GLU A CD 2698 O OE1 . GLU A 349 ? 0.1584 0.1535 0.1404 0.0236 0.0532 0.0231 425 GLU A OE1 2699 O OE2 . GLU A 349 ? 0.1243 0.1517 0.1789 0.0086 -0.0064 -0.0095 425 GLU A OE2 2700 N N . MET A 350 ? 0.1295 0.1436 0.0736 0.0249 -0.0072 0.0015 426 MET A N 2701 C CA . MET A 350 ? 0.1237 0.1216 0.0974 0.0134 0.0030 -0.0163 426 MET A CA 2702 C C . MET A 350 ? 0.1239 0.1183 0.0833 -0.0105 -0.0056 -0.0230 426 MET A C 2703 O O . MET A 350 ? 0.1189 0.1294 0.1494 -0.0092 0.0105 0.0016 426 MET A O 2704 C CB . MET A 350 ? 0.1339 0.1378 0.1101 0.0352 0.0130 -0.0187 426 MET A CB 2705 C CG . MET A 350 ? 0.1463 0.1213 0.1669 0.0255 0.0114 0.0056 426 MET A CG 2706 S SD . MET A 350 ? 0.1515 0.1321 0.1742 0.0160 -0.0290 -0.0156 426 MET A SD 2707 C CE . MET A 350 ? 0.1496 0.1534 0.2052 0.0004 -0.0661 -0.0336 426 MET A CE 2708 N N . ILE A 351 ? 0.1387 0.1323 0.0946 -0.0083 -0.0086 -0.0234 427 ILE A N 2709 C CA . ILE A 351 ? 0.1319 0.1370 0.1123 -0.0110 0.0050 -0.0424 427 ILE A CA 2710 C C . ILE A 351 ? 0.1322 0.1679 0.1119 -0.0184 -0.0053 -0.0220 427 ILE A C 2711 O O . ILE A 351 ? 0.1447 0.2180 0.1387 -0.0190 -0.0172 -0.0107 427 ILE A O 2712 C CB . ILE A 351 ? 0.1449 0.1304 0.1190 -0.0092 0.0168 -0.0479 427 ILE A CB 2713 C CG1 . ILE A 351 ? 0.1421 0.1222 0.1677 -0.0271 0.0066 -0.0203 427 ILE A CG1 2714 C CG2 . ILE A 351 ? 0.1699 0.1466 0.1593 0.0145 0.0425 -0.0316 427 ILE A CG2 2715 C CD1 . ILE A 351 ? 0.1459 0.1359 0.2046 -0.0275 -0.0083 -0.0140 427 ILE A CD1 2716 N N . ARG A 352 ? 0.1228 0.1474 0.1378 -0.0279 0.0148 -0.0414 428 ARG A N 2717 C CA . ARG A 352 ? 0.1357 0.1386 0.1373 -0.0124 -0.0185 -0.0586 428 ARG A CA 2718 C C . ARG A 352 ? 0.1529 0.1530 0.1409 -0.0010 -0.0208 -0.0530 428 ARG A C 2719 O O . ARG A 352 ? 0.1682 0.1672 0.1492 0.0033 -0.0119 -0.0619 428 ARG A O 2720 C CB . ARG A 352 ? 0.1159 0.1280 0.1598 -0.0163 0.0066 -0.0710 428 ARG A CB 2721 C CG . ARG A 352 ? 0.1187 0.1417 0.1662 -0.0003 0.0024 -0.0371 428 ARG A CG 2722 C CD . ARG A 352 ? 0.1240 0.1502 0.1369 0.0039 0.0108 0.0138 428 ARG A CD 2723 N NE . ARG A 352 ? 0.1228 0.1673 0.1431 0.0087 -0.0051 0.0226 428 ARG A NE 2724 C CZ . ARG A 352 ? 0.1471 0.1730 0.1430 -0.0030 -0.0189 -0.0231 428 ARG A CZ 2725 N NH1 . ARG A 352 ? 0.1707 0.1658 0.1388 -0.0062 -0.0312 -0.0157 428 ARG A NH1 2726 N NH2 . ARG A 352 ? 0.1433 0.1995 0.1709 -0.0080 -0.0299 -0.0166 428 ARG A NH2 2727 N N . GLY A 353 ? 0.1674 0.1692 0.1558 0.0013 -0.0038 -0.0538 429 GLY A N 2728 C CA . GLY A 353 ? 0.1818 0.2024 0.1534 0.0242 -0.0226 -0.1036 429 GLY A CA 2729 C C . GLY A 353 ? 0.2182 0.2383 0.2223 0.0348 -0.0711 -0.1333 429 GLY A C 2730 O O . GLY A 353 ? 0.2168 0.2839 0.2735 0.0320 -0.0900 -0.1337 429 GLY A O 2731 N N . LYS A 354 ? 0.2508 0.2383 0.2547 0.0298 -0.0720 -0.1419 430 LYS A N 2732 C CA . LYS A 354 ? 0.2812 0.2346 0.3119 0.0195 -0.0361 -0.1425 430 LYS A CA 2733 C C . LYS A 354 ? 0.2743 0.2360 0.3159 0.0084 -0.0297 -0.1093 430 LYS A C 2734 O O . LYS A 354 ? 0.2703 0.2415 0.3643 0.0183 -0.0380 -0.0747 430 LYS A O 2735 C CB . LYS A 354 ? 0.3280 0.2726 0.3175 0.0239 -0.0032 -0.1524 430 LYS A CB 2736 C CG . LYS A 354 ? 0.3537 0.3083 0.3579 0.0233 0.0613 -0.1166 430 LYS A CG 2737 C CD . LYS A 354 ? 0.3977 0.3385 0.4070 0.0034 0.0372 -0.1007 430 LYS A CD 2738 C CE . LYS A 354 ? 0.4242 0.3598 0.4547 -0.0046 0.0291 -0.0745 430 LYS A CE 2739 N NZ . LYS A 354 ? 0.4331 0.3603 0.4727 -0.0226 0.0330 -0.0547 430 LYS A NZ 2740 N N . PRO A 355 ? 0.2820 0.2702 0.3163 -0.0234 -0.0196 -0.0499 431 PRO A N 2741 C CA . PRO A 355 ? 0.2982 0.2993 0.3202 -0.0364 -0.0411 -0.0411 431 PRO A CA 2742 C C . PRO A 355 ? 0.3178 0.3280 0.3037 -0.0356 -0.0402 -0.0590 431 PRO A C 2743 O O . PRO A 355 ? 0.3402 0.3506 0.3027 -0.0362 -0.0566 -0.0887 431 PRO A O 2744 C CB . PRO A 355 ? 0.3037 0.3107 0.3509 -0.0523 -0.0632 -0.0375 431 PRO A CB 2745 C CG . PRO A 355 ? 0.3242 0.3141 0.3997 -0.0561 -0.0297 -0.0364 431 PRO A CG 2746 C CD . PRO A 355 ? 0.3057 0.2884 0.3654 -0.0356 -0.0117 -0.0584 431 PRO A CD 2747 N N . GLU A 356 ? 0.3116 0.3234 0.2677 -0.0591 -0.0520 -0.0573 432 GLU A N 2748 C CA . GLU A 356 ? 0.3135 0.3426 0.2507 -0.0702 -0.0837 -0.0425 432 GLU A CA 2749 C C . GLU A 356 ? 0.2929 0.3535 0.2180 -0.0596 -0.0746 -0.0520 432 GLU A C 2750 O O . GLU A 356 ? 0.3172 0.3745 0.2629 -0.0491 -0.0830 -0.0397 432 GLU A O 2751 C CB . GLU A 356 ? 0.3293 0.3550 0.2658 -0.0842 -0.0894 -0.0229 432 GLU A CB 2752 C CG . GLU A 356 ? 0.3555 0.3778 0.3347 -0.1113 -0.1087 -0.0071 432 GLU A CG 2753 C CD . GLU A 356 ? 0.3823 0.4131 0.3927 -0.1205 -0.1319 0.0313 432 GLU A CD 2754 O OE1 . GLU A 356 ? 0.3686 0.4242 0.4075 -0.1077 -0.1494 0.0334 432 GLU A OE1 2755 O OE2 . GLU A 356 ? 0.4239 0.4273 0.4553 -0.1341 -0.1431 0.0196 432 GLU A OE2 2756 N N . GLU A 357 ? 0.2698 0.3433 0.2019 -0.0302 -0.0228 -0.0668 433 GLU A N 2757 C CA . GLU A 357 ? 0.2672 0.3201 0.1600 -0.0192 -0.0219 -0.1051 433 GLU A CA 2758 C C . GLU A 357 ? 0.3077 0.3553 0.2595 -0.0241 -0.0265 -0.1152 433 GLU A C 2759 O O . GLU A 357 ? 0.3087 0.3566 0.3091 -0.0075 -0.0402 -0.0878 433 GLU A O 2760 C CB . GLU A 357 ? 0.2552 0.2969 0.1873 -0.0107 -0.0028 -0.0713 433 GLU A CB 2761 C CG . GLU A 357 ? 0.2493 0.2813 0.1921 -0.0195 -0.0073 -0.0639 433 GLU A CG 2762 C CD . GLU A 357 ? 0.2334 0.2645 0.2113 -0.0183 -0.0337 -0.0596 433 GLU A CD 2763 O OE1 . GLU A 357 ? 0.1952 0.2455 0.1605 0.0017 -0.0384 -0.0528 433 GLU A OE1 2764 O OE2 . GLU A 357 ? 0.2507 0.2713 0.2716 -0.0193 -0.0380 -0.0904 433 GLU A OE2 2765 N N . ARG A 358 ? 0.3422 0.3921 0.2407 -0.0399 -0.0143 -0.1368 434 ARG A N 2766 C CA . ARG A 358 ? 0.3731 0.4214 0.3127 -0.0561 0.0137 -0.1467 434 ARG A CA 2767 C C . ARG A 358 ? 0.3554 0.4057 0.2985 -0.0452 0.0120 -0.1710 434 ARG A C 2768 O O . ARG A 358 ? 0.3628 0.4050 0.3325 -0.0355 0.0544 -0.1982 434 ARG A O 2769 C CB . ARG A 358 ? 0.4298 0.4789 0.4308 -0.0697 0.0296 -0.1080 434 ARG A CB 2770 C CG . ARG A 358 ? 0.4792 0.5371 0.5443 -0.0681 0.0238 -0.0632 434 ARG A CG 2771 C CD . ARG A 358 ? 0.5268 0.5881 0.6365 -0.0729 0.0077 -0.0243 434 ARG A CD 2772 N NE . ARG A 358 ? 0.5660 0.6253 0.7054 -0.0818 -0.0144 0.0002 434 ARG A NE 2773 C CZ . ARG A 358 ? 0.5942 0.6500 0.7480 -0.0838 -0.0177 0.0192 434 ARG A CZ 2774 N NH1 . ARG A 358 ? 0.6074 0.6573 0.7614 -0.0780 -0.0217 0.0227 434 ARG A NH1 2775 N NH2 . ARG A 358 ? 0.6012 0.6607 0.7718 -0.0821 -0.0153 0.0247 434 ARG A NH2 2776 N N . THR A 359 ? 0.3319 0.3914 0.2727 -0.0432 -0.0370 -0.1161 435 THR A N 2777 C CA . THR A 359 ? 0.3126 0.3816 0.2584 -0.0213 -0.0894 -0.0813 435 THR A CA 2778 C C . THR A 359 ? 0.2853 0.3584 0.2066 -0.0180 -0.0949 -0.0730 435 THR A C 2779 O O . THR A 359 ? 0.2961 0.4096 0.2571 -0.0266 -0.1184 -0.0525 435 THR A O 2780 C CB . THR A 359 ? 0.3235 0.4003 0.2816 0.0092 -0.1119 -0.0547 435 THR A CB 2781 O OG1 . THR A 359 ? 0.3367 0.4142 0.3421 0.0342 -0.1201 -0.0457 435 THR A OG1 2782 C CG2 . THR A 359 ? 0.3224 0.3986 0.3104 0.0058 -0.1155 -0.0462 435 THR A CG2 2783 N N . SER A 360 ? 0.2509 0.2828 0.1625 0.0025 -0.0671 -0.0891 436 SER A N 2784 C CA . SER A 360 ? 0.2068 0.2222 0.1508 -0.0147 -0.0421 -0.0604 436 SER A CA 2785 C C . SER A 360 ? 0.1951 0.2212 0.1894 -0.0239 -0.0245 -0.0642 436 SER A C 2786 O O . SER A 360 ? 0.1848 0.2253 0.2588 -0.0368 -0.0026 -0.0569 436 SER A O 2787 C CB . SER A 360 ? 0.2421 0.2207 0.1810 0.0027 -0.0271 -0.0439 436 SER A CB 2788 O OG . SER A 360 ? 0.2627 0.2347 0.1780 0.0182 -0.0200 -0.0116 436 SER A OG 2789 N N . ILE A 361 ? 0.1920 0.2051 0.1650 -0.0035 -0.0324 -0.0459 437 ILE A N 2790 C CA . ILE A 361 ? 0.1887 0.1992 0.1382 -0.0023 -0.0055 -0.0486 437 ILE A CA 2791 C C . ILE A 361 ? 0.1775 0.1912 0.1628 -0.0132 -0.0175 -0.0180 437 ILE A C 2792 O O . ILE A 361 ? 0.1917 0.1857 0.1552 -0.0157 0.0053 -0.0345 437 ILE A O 2793 C CB . ILE A 361 ? 0.1883 0.1985 0.1470 -0.0123 0.0400 -0.0486 437 ILE A CB 2794 C CG1 . ILE A 361 ? 0.1567 0.2200 0.2080 -0.0017 0.0892 -0.0717 437 ILE A CG1 2795 C CG2 . ILE A 361 ? 0.2290 0.2169 0.1644 -0.0069 0.0350 -0.0296 437 ILE A CG2 2796 C CD1 . ILE A 361 ? 0.1686 0.2405 0.2614 -0.0138 0.1102 -0.0606 437 ILE A CD1 2797 N N . TRP A 362 ? 0.1680 0.1836 0.1283 -0.0117 -0.0238 -0.0207 438 TRP A N 2798 C CA . TRP A 362 ? 0.1461 0.1558 0.1339 -0.0026 0.0028 -0.0342 438 TRP A CA 2799 C C . TRP A 362 ? 0.1485 0.1604 0.1699 0.0114 0.0131 -0.0482 438 TRP A C 2800 O O . TRP A 362 ? 0.1584 0.1694 0.1794 0.0102 -0.0048 -0.0643 438 TRP A O 2801 C CB . TRP A 362 ? 0.1530 0.1325 0.1509 -0.0071 -0.0276 -0.0300 438 TRP A CB 2802 C CG . TRP A 362 ? 0.1539 0.1317 0.1239 -0.0049 -0.0292 -0.0394 438 TRP A CG 2803 C CD1 . TRP A 362 ? 0.1661 0.1368 0.1234 -0.0151 -0.0015 -0.0444 438 TRP A CD1 2804 C CD2 . TRP A 362 ? 0.1472 0.1318 0.1154 0.0007 -0.0463 -0.0384 438 TRP A CD2 2805 N NE1 . TRP A 362 ? 0.1494 0.1573 0.1315 -0.0002 0.0056 -0.0428 438 TRP A NE1 2806 C CE2 . TRP A 362 ? 0.1548 0.1477 0.0996 -0.0081 0.0036 -0.0383 438 TRP A CE2 2807 C CE3 . TRP A 362 ? 0.1524 0.1204 0.1379 -0.0121 -0.0367 -0.0541 438 TRP A CE3 2808 C CZ2 . TRP A 362 ? 0.1756 0.1454 0.1172 -0.0152 -0.0148 -0.0303 438 TRP A CZ2 2809 C CZ3 . TRP A 362 ? 0.1757 0.1269 0.1327 -0.0075 -0.0182 -0.0098 438 TRP A CZ3 2810 C CH2 . TRP A 362 ? 0.1796 0.1480 0.1324 -0.0021 -0.0137 -0.0174 438 TRP A CH2 2811 N N . THR A 363 ? 0.1519 0.1361 0.1343 0.0086 0.0274 -0.0534 439 THR A N 2812 C CA . THR A 363 ? 0.1723 0.1594 0.1449 -0.0163 0.0340 -0.0731 439 THR A CA 2813 C C . THR A 363 ? 0.1713 0.1436 0.1275 0.0099 0.0112 -0.0477 439 THR A C 2814 O O . THR A 363 ? 0.1955 0.1823 0.1714 0.0332 -0.0038 -0.0351 439 THR A O 2815 C CB . THR A 363 ? 0.1920 0.2045 0.2095 -0.0328 0.0641 -0.0999 439 THR A CB 2816 O OG1 . THR A 363 ? 0.1999 0.2148 0.2868 -0.0300 0.0363 -0.1150 439 THR A OG1 2817 C CG2 . THR A 363 ? 0.2146 0.2301 0.2243 -0.0354 0.0556 -0.0939 439 THR A CG2 2818 N N . SER A 364 ? 0.1433 0.1232 0.1145 -0.0020 -0.0164 -0.0336 440 SER A N 2819 C CA . SER A 364 ? 0.1278 0.1298 0.1088 -0.0222 0.0039 -0.0340 440 SER A CA 2820 C C . SER A 364 ? 0.1291 0.1364 0.1099 0.0094 -0.0061 -0.0521 440 SER A C 2821 O O . SER A 364 ? 0.1212 0.1726 0.1356 0.0163 0.0065 -0.0393 440 SER A O 2822 C CB . SER A 364 ? 0.1209 0.1435 0.1023 -0.0338 -0.0298 -0.0168 440 SER A CB 2823 O OG . SER A 364 ? 0.1203 0.1537 0.1240 0.0050 -0.0008 -0.0156 440 SER A OG 2824 N N . SER A 365 ? 0.1318 0.1248 0.1127 0.0294 -0.0101 -0.0413 441 SER A N 2825 C CA . SER A 365 ? 0.1336 0.1238 0.0868 0.0003 0.0118 -0.0293 441 SER A CA 2826 C C . SER A 365 ? 0.1408 0.1148 0.1306 0.0033 -0.0127 -0.0207 441 SER A C 2827 O O . SER A 365 ? 0.1393 0.1115 0.1655 0.0011 -0.0049 -0.0197 441 SER A O 2828 C CB . SER A 365 ? 0.1300 0.1338 0.0855 -0.0042 -0.0157 0.0260 441 SER A CB 2829 O OG . SER A 365 ? 0.1378 0.1466 0.1373 -0.0205 -0.0071 -0.0093 441 SER A OG 2830 N N . SER A 366 ? 0.1432 0.1125 0.1348 0.0117 -0.0011 -0.0138 442 SER A N 2831 C CA . SER A 366 ? 0.1313 0.1244 0.1087 0.0056 0.0118 -0.0433 442 SER A CA 2832 C C . SER A 366 ? 0.1172 0.1326 0.1160 -0.0105 0.0018 -0.0272 442 SER A C 2833 O O . SER A 366 ? 0.1488 0.1507 0.1536 -0.0449 0.0126 -0.0537 442 SER A O 2834 C CB . SER A 366 ? 0.1274 0.1332 0.1491 0.0027 -0.0201 0.0022 442 SER A CB 2835 O OG . SER A 366 ? 0.1317 0.1528 0.1594 0.0156 -0.0477 -0.0100 442 SER A OG 2836 N N . SER A 367 ? 0.1040 0.1288 0.1147 0.0169 0.0208 -0.0302 443 SER A N 2837 C CA . SER A 367 ? 0.1377 0.1328 0.1201 0.0247 -0.0066 -0.0156 443 SER A CA 2838 C C . SER A 367 ? 0.1469 0.1108 0.1255 0.0094 0.0024 -0.0039 443 SER A C 2839 O O . SER A 367 ? 0.1405 0.1136 0.1613 0.0131 0.0295 -0.0176 443 SER A O 2840 C CB . SER A 367 ? 0.1518 0.1326 0.1657 0.0138 -0.0360 -0.0329 443 SER A CB 2841 O OG . SER A 367 ? 0.1752 0.1444 0.1743 0.0032 -0.0487 -0.0060 443 SER A OG 2842 N N . THR A 368 ? 0.1239 0.0948 0.1003 0.0048 0.0118 -0.0043 444 THR A N 2843 C CA . THR A 368 ? 0.1236 0.0878 0.0990 0.0153 0.0084 -0.0042 444 THR A CA 2844 C C . THR A 368 ? 0.1407 0.0845 0.1045 0.0092 0.0124 -0.0015 444 THR A C 2845 O O . THR A 368 ? 0.1441 0.1017 0.1186 -0.0209 0.0216 0.0119 444 THR A O 2846 C CB . THR A 368 ? 0.1111 0.0943 0.1448 0.0056 -0.0207 0.0251 444 THR A CB 2847 O OG1 . THR A 368 ? 0.1246 0.1254 0.1474 -0.0232 -0.0033 -0.0156 444 THR A OG1 2848 C CG2 . THR A 368 ? 0.1165 0.0904 0.1487 0.0259 0.0048 0.0199 444 THR A CG2 2849 N N . VAL A 369 ? 0.1239 0.1053 0.0613 0.0146 0.0295 -0.0164 445 VAL A N 2850 C CA . VAL A 369 ? 0.1313 0.1151 0.0771 0.0098 0.0038 -0.0025 445 VAL A CA 2851 C C . VAL A 369 ? 0.1097 0.1174 0.0873 0.0072 -0.0049 -0.0042 445 VAL A C 2852 O O . VAL A 369 ? 0.1327 0.1020 0.1370 0.0041 0.0220 -0.0248 445 VAL A O 2853 C CB . VAL A 369 ? 0.1334 0.1037 0.1177 0.0167 0.0013 -0.0090 445 VAL A CB 2854 C CG1 . VAL A 369 ? 0.1557 0.1032 0.1537 0.0143 0.0085 0.0396 445 VAL A CG1 2855 C CG2 . VAL A 369 ? 0.1249 0.1129 0.1550 0.0040 0.0077 -0.0205 445 VAL A CG2 2856 N N . PHE A 370 ? 0.1023 0.1481 0.0862 0.0016 0.0105 -0.0029 446 PHE A N 2857 C CA . PHE A 370 ? 0.1237 0.1602 0.0992 0.0035 0.0200 -0.0223 446 PHE A CA 2858 C C . PHE A 370 ? 0.1422 0.1491 0.1092 0.0031 0.0316 -0.0171 446 PHE A C 2859 O O . PHE A 370 ? 0.1764 0.1313 0.1228 0.0051 0.0378 -0.0257 446 PHE A O 2860 C CB . PHE A 370 ? 0.1038 0.1612 0.0939 0.0034 0.0038 -0.0252 446 PHE A CB 2861 C CG . PHE A 370 ? 0.0880 0.1695 0.1103 -0.0165 -0.0128 0.0228 446 PHE A CG 2862 C CD1 . PHE A 370 ? 0.1020 0.2007 0.0887 -0.0236 -0.0213 -0.0047 446 PHE A CD1 2863 C CD2 . PHE A 370 ? 0.1156 0.1614 0.1754 -0.0373 -0.0006 0.0220 446 PHE A CD2 2864 C CE1 . PHE A 370 ? 0.1192 0.2101 0.1150 -0.0306 -0.0288 0.0186 446 PHE A CE1 2865 C CE2 . PHE A 370 ? 0.1304 0.1858 0.1601 -0.0445 -0.0194 0.0330 446 PHE A CE2 2866 C CZ . PHE A 370 ? 0.1296 0.1936 0.1569 -0.0509 -0.0240 0.0519 446 PHE A CZ 2867 N N . CYS A 371 ? 0.1272 0.1579 0.0761 0.0145 0.0257 -0.0141 447 CYS A N 2868 C CA . CYS A 371 ? 0.1151 0.1463 0.0714 -0.0092 0.0444 -0.0121 447 CYS A CA 2869 C C . CYS A 371 ? 0.1168 0.1513 0.1235 -0.0038 0.0463 0.0157 447 CYS A C 2870 O O . CYS A 371 ? 0.1211 0.1581 0.1625 0.0160 0.0288 0.0208 447 CYS A O 2871 C CB . CYS A 371 ? 0.1163 0.1635 0.1342 0.0147 0.0056 -0.0353 447 CYS A CB 2872 S SG . CYS A 371 ? 0.1403 0.1602 0.1931 0.0088 0.0163 -0.0133 447 CYS A SG 2873 N N . GLY A 372 ? 0.1359 0.1472 0.1095 -0.0017 0.0454 -0.0019 448 GLY A N 2874 C CA . GLY A 372 ? 0.1395 0.1511 0.1704 0.0149 0.0712 -0.0121 448 GLY A CA 2875 C C . GLY A 372 ? 0.1479 0.1628 0.1561 0.0013 0.0421 0.0041 448 GLY A C 2876 O O . GLY A 372 ? 0.1816 0.1747 0.1893 0.0233 0.0337 0.0023 448 GLY A O 2877 N N . VAL A 373 ? 0.1537 0.1333 0.1498 0.0200 0.0537 -0.0121 449 VAL A N 2878 C CA . VAL A 373 ? 0.1545 0.1531 0.1624 0.0203 0.0435 -0.0015 449 VAL A CA 2879 C C . VAL A 373 ? 0.1764 0.1898 0.1845 0.0334 0.0494 -0.0138 449 VAL A C 2880 O O . VAL A 373 ? 0.1683 0.1657 0.2246 0.0316 0.0614 -0.0194 449 VAL A O 2881 C CB . VAL A 373 ? 0.1666 0.1928 0.2287 0.0188 0.0421 0.0442 449 VAL A CB 2882 C CG1 . VAL A 373 ? 0.1691 0.2000 0.2707 -0.0038 0.0172 0.0514 449 VAL A CG1 2883 C CG2 . VAL A 373 ? 0.1671 0.1896 0.2077 0.0322 0.0365 0.0518 449 VAL A CG2 2884 N N A SER A 374 ? 0.1938 0.2192 0.2173 0.0476 0.0389 -0.0260 450 SER A N 2885 N N B SER A 374 ? 0.1965 0.2180 0.2309 0.0417 0.0471 -0.0279 450 SER A N 2886 C CA A SER A 374 ? 0.2066 0.2550 0.2265 0.0686 0.0316 -0.0370 450 SER A CA 2887 C CA B SER A 374 ? 0.2118 0.2549 0.2553 0.0603 0.0466 -0.0393 450 SER A CA 2888 C C A SER A 374 ? 0.2192 0.2782 0.2699 0.0692 0.0334 -0.0309 450 SER A C 2889 C C B SER A 374 ? 0.2179 0.2780 0.2921 0.0695 0.0484 -0.0230 450 SER A C 2890 O O A SER A 374 ? 0.2456 0.3094 0.3267 0.0730 0.0147 -0.0183 450 SER A O 2891 O O B SER A 374 ? 0.2383 0.3068 0.3542 0.0895 0.0525 -0.0082 450 SER A O 2892 C CB A SER A 374 ? 0.2214 0.2680 0.2207 0.0772 0.0071 -0.0540 450 SER A CB 2893 C CB B SER A 374 ? 0.2389 0.2694 0.2816 0.0552 0.0214 -0.0679 450 SER A CB 2894 O OG A SER A 374 ? 0.2299 0.2794 0.2095 0.0764 -0.0051 -0.0632 450 SER A OG 2895 O OG B SER A 374 ? 0.2564 0.2840 0.3050 0.0373 0.0141 -0.0875 450 SER A OG 2896 N N . SER A 375 ? 0.2186 0.2648 0.2726 0.0673 0.0314 -0.0412 451 SER A N 2897 C CA . SER A 375 ? 0.2366 0.2781 0.3003 0.0428 0.0113 -0.0374 451 SER A CA 2898 C C . SER A 375 ? 0.1953 0.2547 0.2340 0.0270 0.0032 -0.0200 451 SER A C 2899 O O . SER A 375 ? 0.1800 0.2525 0.2464 0.0046 0.0185 -0.0214 451 SER A O 2900 C CB . SER A 375 ? 0.2721 0.3143 0.4162 0.0218 0.0096 -0.0423 451 SER A CB 2901 O OG . SER A 375 ? 0.2959 0.3424 0.4781 0.0033 0.0411 -0.0361 451 SER A OG 2902 N N . GLU A 376 ? 0.1897 0.2399 0.2105 0.0360 0.0281 0.0132 452 GLU A N 2903 C CA . GLU A 376 ? 0.1777 0.2486 0.2234 0.0263 0.0548 0.0229 452 GLU A CA 2904 C C . GLU A 376 ? 0.1888 0.2275 0.2017 0.0252 0.0489 0.0103 452 GLU A C 2905 O O . GLU A 376 ? 0.2152 0.2298 0.2205 0.0063 0.0484 -0.0266 452 GLU A O 2906 C CB . GLU A 376 ? 0.1887 0.3131 0.2699 0.0081 0.0873 0.0418 452 GLU A CB 2907 C CG . GLU A 376 ? 0.2081 0.3719 0.3463 0.0232 0.0893 0.0332 452 GLU A CG 2908 C CD . GLU A 376 ? 0.2546 0.4514 0.4803 0.0432 0.0681 -0.0087 452 GLU A CD 2909 O OE1 . GLU A 376 ? 0.2983 0.4770 0.5678 0.0511 0.0466 -0.0126 452 GLU A OE1 2910 O OE2 . GLU A 376 ? 0.2633 0.4821 0.5225 0.0453 0.0372 -0.0085 452 GLU A OE2 2911 N N . VAL A 377 ? 0.1756 0.2174 0.1638 0.0357 0.0515 0.0242 453 VAL A N 2912 C CA . VAL A 377 ? 0.1617 0.2234 0.1914 0.0153 -0.0008 0.0097 453 VAL A CA 2913 C C . VAL A 377 ? 0.1626 0.2057 0.1798 0.0156 0.0019 0.0124 453 VAL A C 2914 O O . VAL A 377 ? 0.1717 0.2241 0.2014 0.0251 0.0047 0.0268 453 VAL A O 2915 C CB . VAL A 377 ? 0.1752 0.2298 0.1757 -0.0005 -0.0028 0.0169 453 VAL A CB 2916 C CG1 . VAL A 377 ? 0.1808 0.2237 0.1949 -0.0058 0.0090 0.0164 453 VAL A CG1 2917 C CG2 . VAL A 377 ? 0.1788 0.2413 0.1726 -0.0068 0.0111 0.0365 453 VAL A CG2 2918 N N . PRO A 378 ? 0.1773 0.1846 0.1723 0.0226 -0.0090 -0.0030 454 PRO A N 2919 C CA . PRO A 378 ? 0.1904 0.1674 0.1891 0.0232 0.0292 0.0132 454 PRO A CA 2920 C C . PRO A 378 ? 0.1841 0.1802 0.1809 0.0135 0.0103 0.0114 454 PRO A C 2921 O O . PRO A 378 ? 0.1525 0.1875 0.1634 0.0181 0.0065 0.0087 454 PRO A O 2922 C CB . PRO A 378 ? 0.2370 0.1767 0.2256 0.0449 0.0565 0.0095 454 PRO A CB 2923 C CG . PRO A 378 ? 0.2370 0.1873 0.2900 0.0112 0.0009 -0.0205 454 PRO A CG 2924 C CD . PRO A 378 ? 0.2023 0.1847 0.2326 0.0169 -0.0028 -0.0020 454 PRO A CD 2925 N N . GLY A 379 ? 0.1908 0.1675 0.1762 0.0211 0.0373 -0.0088 455 GLY A N 2926 C CA . GLY A 379 ? 0.1979 0.1380 0.1778 0.0009 0.0556 0.0003 455 GLY A CA 2927 C C . GLY A 379 ? 0.1876 0.1569 0.1655 0.0114 0.0068 0.0010 455 GLY A C 2928 O O . GLY A 379 ? 0.1827 0.1733 0.2074 0.0085 0.0151 -0.0180 455 GLY A O 2929 N N . TRP A 380 ? 0.1690 0.1644 0.1501 0.0031 0.0097 -0.0143 456 TRP A N 2930 C CA . TRP A 380 ? 0.1671 0.1602 0.1703 0.0033 -0.0060 -0.0167 456 TRP A CA 2931 C C . TRP A 380 ? 0.1710 0.1566 0.1673 0.0093 0.0097 0.0209 456 TRP A C 2932 O O . TRP A 380 ? 0.2065 0.1411 0.2207 0.0322 0.0554 0.0313 456 TRP A O 2933 C CB . TRP A 380 ? 0.1735 0.1500 0.1619 0.0142 -0.0073 -0.0337 456 TRP A CB 2934 C CG . TRP A 380 ? 0.1746 0.1566 0.1571 0.0096 -0.0183 -0.0341 456 TRP A CG 2935 C CD1 . TRP A 380 ? 0.1765 0.1688 0.1524 0.0062 -0.0064 -0.0012 456 TRP A CD1 2936 C CD2 . TRP A 380 ? 0.1622 0.1696 0.1262 0.0056 -0.0032 -0.0154 456 TRP A CD2 2937 N NE1 . TRP A 380 ? 0.1674 0.1733 0.1490 0.0018 -0.0436 0.0108 456 TRP A NE1 2938 C CE2 . TRP A 380 ? 0.1655 0.1899 0.1457 -0.0107 -0.0135 -0.0129 456 TRP A CE2 2939 C CE3 . TRP A 380 ? 0.1368 0.1740 0.1112 0.0005 0.0160 -0.0107 456 TRP A CE3 2940 C CZ2 . TRP A 380 ? 0.1536 0.2024 0.1499 -0.0090 -0.0189 -0.0148 456 TRP A CZ2 2941 C CZ3 . TRP A 380 ? 0.1466 0.1873 0.0897 -0.0001 0.0284 -0.0080 456 TRP A CZ3 2942 C CH2 . TRP A 380 ? 0.1538 0.1976 0.0978 -0.0026 0.0090 -0.0168 456 TRP A CH2 2943 N N . SER A 381 ? 0.1323 0.1708 0.1724 -0.0071 0.0072 -0.0010 457 SER A N 2944 C CA . SER A 381 ? 0.1261 0.1719 0.1725 0.0014 0.0054 0.0004 457 SER A CA 2945 C C . SER A 381 ? 0.1141 0.1670 0.1415 0.0084 0.0003 -0.0084 457 SER A C 2946 O O . SER A 381 ? 0.1213 0.1849 0.1829 0.0098 -0.0060 0.0398 457 SER A O 2947 C CB . SER A 381 ? 0.1415 0.1727 0.1741 0.0185 -0.0019 -0.0402 457 SER A CB 2948 O OG . SER A 381 ? 0.1529 0.1707 0.1364 0.0207 -0.0312 -0.0421 457 SER A OG 2949 N N . TRP A 382 ? 0.1061 0.1394 0.1352 0.0014 -0.0160 -0.0040 458 TRP A N 2950 C CA . TRP A 382 ? 0.0955 0.1356 0.0953 0.0158 -0.0019 -0.0232 458 TRP A CA 2951 C C . TRP A 382 ? 0.1178 0.1326 0.0852 0.0137 -0.0043 0.0187 458 TRP A C 2952 O O . TRP A 382 ? 0.1429 0.1297 0.1284 0.0341 -0.0099 0.0016 458 TRP A O 2953 C CB . TRP A 382 ? 0.1142 0.1287 0.1014 0.0092 -0.0178 -0.0295 458 TRP A CB 2954 C CG . TRP A 382 ? 0.1066 0.1211 0.1202 0.0155 -0.0217 0.0064 458 TRP A CG 2955 C CD1 . TRP A 382 ? 0.0998 0.0995 0.1324 0.0353 -0.0125 0.0118 458 TRP A CD1 2956 C CD2 . TRP A 382 ? 0.1009 0.1251 0.1336 0.0163 -0.0155 0.0043 458 TRP A CD2 2957 N NE1 . TRP A 382 ? 0.0959 0.1224 0.1438 0.0111 -0.0006 0.0085 458 TRP A NE1 2958 C CE2 . TRP A 382 ? 0.0866 0.1351 0.1318 0.0288 0.0095 0.0115 458 TRP A CE2 2959 C CE3 . TRP A 382 ? 0.0957 0.1478 0.1378 0.0239 0.0204 0.0016 458 TRP A CE3 2960 C CZ2 . TRP A 382 ? 0.0864 0.1349 0.1402 0.0053 0.0105 0.0331 458 TRP A CZ2 2961 C CZ3 . TRP A 382 ? 0.1144 0.1312 0.1727 0.0290 0.0067 0.0061 458 TRP A CZ3 2962 C CH2 . TRP A 382 ? 0.1186 0.1384 0.1805 0.0090 0.0004 0.0029 458 TRP A CH2 2963 N N . ASP A 383 ? 0.1138 0.1460 0.0901 0.0013 0.0099 -0.0006 459 ASP A N 2964 C CA . ASP A 383 ? 0.1268 0.1379 0.0955 0.0111 -0.0043 0.0175 459 ASP A CA 2965 C C . ASP A 383 ? 0.1343 0.1304 0.1004 0.0037 -0.0133 0.0099 459 ASP A C 2966 O O . ASP A 383 ? 0.1217 0.1460 0.1267 -0.0210 -0.0110 -0.0126 459 ASP A O 2967 C CB . ASP A 383 ? 0.1353 0.1418 0.1414 -0.0194 -0.0049 0.0302 459 ASP A CB 2968 C CG . ASP A 383 ? 0.1531 0.1728 0.1396 -0.0136 -0.0186 0.0307 459 ASP A CG 2969 O OD1 . ASP A 383 ? 0.1551 0.2119 0.1387 -0.0057 -0.0298 0.0167 459 ASP A OD1 2970 O OD2 . ASP A 383 ? 0.1814 0.1673 0.1868 -0.0213 -0.0144 0.0199 459 ASP A OD2 2971 N N . ASP A 384 ? 0.1286 0.1334 0.1246 0.0349 0.0053 -0.0240 460 ASP A N 2972 C CA . ASP A 384 ? 0.1202 0.1336 0.1448 0.0260 0.0174 -0.0233 460 ASP A CA 2973 C C . ASP A 384 ? 0.1131 0.1502 0.1302 0.0170 -0.0096 -0.0245 460 ASP A C 2974 O O . ASP A 384 ? 0.0950 0.1450 0.1868 0.0088 -0.0130 -0.0131 460 ASP A O 2975 C CB . ASP A 384 ? 0.1311 0.1413 0.1741 0.0135 -0.0150 -0.0438 460 ASP A CB 2976 C CG . ASP A 384 ? 0.1311 0.1537 0.1869 0.0100 -0.0050 -0.0056 460 ASP A CG 2977 O OD1 . ASP A 384 ? 0.1245 0.1660 0.2018 0.0127 -0.0102 0.0125 460 ASP A OD1 2978 O OD2 . ASP A 384 ? 0.1388 0.1565 0.1508 -0.0068 0.0029 -0.0214 460 ASP A OD2 2979 N N . GLY A 385 ? 0.1293 0.1603 0.1294 0.0057 -0.0007 0.0034 461 GLY A N 2980 C CA . GLY A 385 ? 0.1216 0.1494 0.1342 0.0022 0.0021 0.0009 461 GLY A CA 2981 C C . GLY A 385 ? 0.1313 0.1481 0.1375 -0.0009 -0.0153 -0.0211 461 GLY A C 2982 O O . GLY A 385 ? 0.1556 0.1382 0.1434 -0.0113 -0.0117 -0.0020 461 GLY A O 2983 N N . ALA A 386 ? 0.1292 0.1706 0.1076 0.0077 0.0143 -0.0313 462 ALA A N 2984 C CA . ALA A 386 ? 0.1139 0.1622 0.1151 0.0443 0.0004 -0.0198 462 ALA A CA 2985 C C . ALA A 386 ? 0.1324 0.1678 0.1415 0.0221 -0.0097 -0.0078 462 ALA A C 2986 O O . ALA A 386 ? 0.1363 0.1780 0.1481 -0.0060 -0.0154 -0.0081 462 ALA A O 2987 C CB . ALA A 386 ? 0.1053 0.1613 0.1735 0.0595 0.0013 0.0137 462 ALA A CB 2988 N N . ILE A 387 ? 0.1559 0.1613 0.1073 0.0090 -0.0076 -0.0177 463 ILE A N 2989 C CA . ILE A 387 ? 0.1888 0.1702 0.1164 0.0190 -0.0064 -0.0254 463 ILE A CA 2990 C C . ILE A 387 ? 0.1826 0.1809 0.1033 0.0068 -0.0104 -0.0304 463 ILE A C 2991 O O . ILE A 387 ? 0.1691 0.1939 0.1251 0.0136 -0.0195 -0.0152 463 ILE A O 2992 C CB . ILE A 387 ? 0.2476 0.1763 0.1133 0.0273 0.0035 -0.0078 463 ILE A CB 2993 C CG1 . ILE A 387 ? 0.2846 0.1612 0.1761 0.0445 0.0134 -0.0079 463 ILE A CG1 2994 C CG2 . ILE A 387 ? 0.2671 0.1996 0.1409 0.0256 -0.0404 0.0218 463 ILE A CG2 2995 C CD1 . ILE A 387 ? 0.3256 0.1725 0.2072 0.0298 0.0049 -0.0001 463 ILE A CD1 2996 N N . LEU A 388 ? 0.1895 0.1727 0.0923 0.0007 -0.0443 -0.0511 464 LEU A N 2997 C CA . LEU A 388 ? 0.2043 0.1857 0.1118 -0.0088 -0.0206 -0.0421 464 LEU A CA 2998 C C . LEU A 388 ? 0.2120 0.2121 0.0970 0.0162 -0.0447 -0.0233 464 LEU A C 2999 O O . LEU A 388 ? 0.2430 0.2575 0.1488 0.0506 -0.0582 -0.0003 464 LEU A O 3000 C CB . LEU A 388 ? 0.1997 0.1863 0.1378 -0.0195 -0.0100 -0.0266 464 LEU A CB 3001 C CG . LEU A 388 ? 0.1690 0.1704 0.1108 -0.0168 -0.0309 -0.0300 464 LEU A CG 3002 C CD1 . LEU A 388 ? 0.1602 0.1790 0.1256 -0.0036 -0.0103 -0.0363 464 LEU A CD1 3003 C CD2 . LEU A 388 ? 0.1762 0.1665 0.1660 -0.0154 -0.0252 -0.0300 464 LEU A CD2 3004 N N . PRO A 389 ? 0.2220 0.2230 0.1347 0.0221 -0.0492 -0.0353 465 PRO A N 3005 C CA . PRO A 389 ? 0.2137 0.2151 0.1352 0.0260 -0.0468 -0.0606 465 PRO A CA 3006 C C . PRO A 389 ? 0.2131 0.1965 0.1395 0.0170 -0.0376 -0.0440 465 PRO A C 3007 O O . PRO A 389 ? 0.2134 0.1999 0.1444 -0.0025 -0.0332 -0.0385 465 PRO A O 3008 C CB . PRO A 389 ? 0.2221 0.2321 0.1283 0.0335 -0.0696 -0.0946 465 PRO A CB 3009 C CG . PRO A 389 ? 0.2542 0.2627 0.1800 0.0518 -0.0387 -0.0722 465 PRO A CG 3010 C CD . PRO A 389 ? 0.2441 0.2459 0.1425 0.0416 -0.0362 -0.0576 465 PRO A CD 3011 N N . PHE A 390 ? 0.2060 0.1938 0.1125 0.0076 -0.0651 -0.0226 466 PHE A N 3012 C CA . PHE A 390 ? 0.1954 0.1771 0.0767 -0.0107 -0.0488 -0.0368 466 PHE A CA 3013 C C . PHE A 390 ? 0.1880 0.1849 0.1036 -0.0186 -0.0260 -0.0428 466 PHE A C 3014 O O . PHE A 390 ? 0.1849 0.1848 0.1263 -0.0163 -0.0315 -0.0325 466 PHE A O 3015 C CB . PHE A 390 ? 0.2133 0.1670 0.0992 -0.0112 -0.0530 -0.0203 466 PHE A CB 3016 C CG . PHE A 390 ? 0.1819 0.1561 0.1000 -0.0268 -0.0394 -0.0242 466 PHE A CG 3017 C CD1 . PHE A 390 ? 0.1839 0.1631 0.1417 -0.0291 -0.0364 -0.0320 466 PHE A CD1 3018 C CD2 . PHE A 390 ? 0.1805 0.1594 0.0824 -0.0309 -0.0329 -0.0315 466 PHE A CD2 3019 C CE1 . PHE A 390 ? 0.1689 0.1664 0.1041 -0.0396 -0.0609 -0.0158 466 PHE A CE1 3020 C CE2 . PHE A 390 ? 0.1613 0.1608 0.1243 -0.0262 -0.0166 -0.0286 466 PHE A CE2 3021 C CZ . PHE A 390 ? 0.1522 0.1653 0.1257 -0.0425 -0.0283 -0.0352 466 PHE A CZ 3022 N N . ASP A 391 ? 0.1744 0.1862 0.1412 -0.0216 -0.0229 -0.0068 467 ASP A N 3023 C CA . ASP A 391 ? 0.1964 0.1994 0.1451 -0.0177 -0.0147 -0.0238 467 ASP A CA 3024 C C . ASP A 391 ? 0.2032 0.2077 0.1186 -0.0117 -0.0254 -0.0149 467 ASP A C 3025 O O . ASP A 391 ? 0.2088 0.2343 0.1244 -0.0091 -0.0255 -0.0206 467 ASP A O 3026 C CB . ASP A 391 ? 0.2166 0.2240 0.1647 -0.0391 -0.0723 -0.0453 467 ASP A CB 3027 C CG . ASP A 391 ? 0.2321 0.2678 0.2424 -0.0415 -0.0680 -0.0248 467 ASP A CG 3028 O OD1 . ASP A 391 ? 0.2154 0.2704 0.2766 -0.0261 -0.0591 0.0140 467 ASP A OD1 3029 O OD2 . ASP A 391 ? 0.2681 0.2953 0.2645 -0.0299 -0.0406 -0.0221 467 ASP A OD2 3030 N N . ILE A 392 ? 0.1891 0.1833 0.1109 -0.0151 -0.0250 -0.0090 468 ILE A N 3031 C CA . ILE A 392 ? 0.1868 0.1885 0.1063 -0.0126 -0.0192 -0.0493 468 ILE A CA 3032 C C . ILE A 392 ? 0.1939 0.2141 0.1075 -0.0106 0.0045 -0.0491 468 ILE A C 3033 O O . ILE A 392 ? 0.2087 0.2291 0.1443 -0.0114 -0.0100 -0.0628 468 ILE A O 3034 C CB . ILE A 392 ? 0.1790 0.1844 0.0887 -0.0201 0.0009 -0.0408 468 ILE A CB 3035 C CG1 . ILE A 392 ? 0.1841 0.1988 0.1456 -0.0200 0.0308 -0.0417 468 ILE A CG1 3036 C CG2 . ILE A 392 ? 0.1747 0.1989 0.1429 -0.0412 -0.0099 -0.0609 468 ILE A CG2 3037 C CD1 . ILE A 392 ? 0.1789 0.2075 0.1590 -0.0070 0.0077 -0.0482 468 ILE A CD1 3038 N N . ASP A 393 ? 0.1945 0.2296 0.1129 -0.0248 -0.0292 -0.0309 469 ASP A N 3039 C CA . ASP A 393 ? 0.2130 0.2517 0.0973 -0.0416 -0.0378 -0.0616 469 ASP A CA 3040 C C . ASP A 393 ? 0.2865 0.3189 0.1237 -0.0475 -0.0532 -0.0515 469 ASP A C 3041 O O . ASP A 393 ? 0.3133 0.3367 0.1382 -0.0836 -0.0253 -0.0505 469 ASP A O 3042 C CB . ASP A 393 ? 0.2021 0.2158 0.1272 -0.0273 -0.0285 -0.0336 469 ASP A CB 3043 C CG . ASP A 393 ? 0.2057 0.1785 0.1303 -0.0114 -0.0073 -0.0168 469 ASP A CG 3044 O OD1 . ASP A 393 ? 0.2035 0.1584 0.1468 -0.0099 -0.0253 -0.0133 469 ASP A OD1 3045 O OD2 . ASP A 393 ? 0.2150 0.1729 0.1597 0.0066 -0.0050 -0.0261 469 ASP A OD2 3046 N N . LYS A 394 ? 0.3337 0.3650 0.0859 -0.0127 -0.0209 -0.0030 470 LYS A N 3047 C CA . LYS A 394 ? 0.4149 0.4310 0.1971 0.0113 -0.0232 -0.0159 470 LYS A CA 3048 C C . LYS A 394 ? 0.4549 0.4644 0.2438 0.0221 0.0226 -0.0590 470 LYS A C 3049 O O . LYS A 394 ? 0.4890 0.4905 0.3820 0.0229 -0.0007 -0.0723 470 LYS A O 3050 C CB . LYS A 394 ? 0.4592 0.4640 0.2326 0.0246 -0.0363 -0.0109 470 LYS A CB 3051 C CG . LYS A 394 ? 0.4973 0.4902 0.3532 0.0330 -0.0166 -0.0335 470 LYS A CG 3052 C CD . LYS A 394 ? 0.5221 0.5113 0.4441 0.0354 -0.0123 -0.0401 470 LYS A CD 3053 C CE . LYS A 394 ? 0.5416 0.5235 0.5127 0.0354 0.0023 -0.0437 470 LYS A CE 3054 N NZ . LYS A 394 ? 0.5551 0.5278 0.5438 0.0387 0.0098 -0.0465 470 LYS A NZ 3055 N N . PRO B 1 ? 0.4895 0.5711 0.6195 -0.0832 0.0448 0.0413 82 PRO B N 3056 C CA . PRO B 1 ? 0.4732 0.5437 0.5820 -0.0863 0.0534 0.0487 82 PRO B CA 3057 C C . PRO B 1 ? 0.4336 0.4844 0.4927 -0.0952 0.0800 0.0626 82 PRO B C 3058 O O . PRO B 1 ? 0.4359 0.4813 0.5212 -0.1094 0.0907 0.0710 82 PRO B O 3059 C CB . PRO B 1 ? 0.4939 0.5659 0.6357 -0.0861 0.0486 0.0404 82 PRO B CB 3060 C CG . PRO B 1 ? 0.5094 0.5798 0.6534 -0.0805 0.0487 0.0370 82 PRO B CG 3061 C CD . PRO B 1 ? 0.5074 0.5826 0.6435 -0.0782 0.0458 0.0362 82 PRO B CD 3062 N N . GLU B 2 ? 0.3923 0.4333 0.3676 -0.0883 0.0954 0.0736 83 GLU B N 3063 C CA . GLU B 2 ? 0.3593 0.3902 0.2963 -0.0693 0.0779 0.0780 83 GLU B CA 3064 C C . GLU B 2 ? 0.2763 0.3128 0.1875 -0.0612 0.0340 0.0567 83 GLU B C 3065 O O . GLU B 2 ? 0.2659 0.2873 0.2149 -0.0466 0.0042 0.0297 83 GLU B O 3066 C CB . GLU B 2 ? 0.4209 0.4263 0.3141 -0.0525 0.0957 0.1244 83 GLU B CB 3067 C CG . GLU B 2 ? 0.4850 0.4713 0.4433 -0.0323 0.0697 0.1248 83 GLU B CG 3068 C CD . GLU B 2 ? 0.5546 0.5122 0.5893 -0.0147 0.0363 0.0607 83 GLU B CD 3069 O OE1 . GLU B 2 ? 0.5772 0.5209 0.6395 -0.0018 0.0331 0.0401 83 GLU B OE1 3070 O OE2 . GLU B 2 ? 0.5811 0.5305 0.6371 -0.0131 0.0203 0.0296 83 GLU B OE2 3071 N N . PHE B 3 ? 0.2284 0.2744 0.1391 -0.0573 0.0137 0.0440 84 PHE B N 3072 C CA . PHE B 3 ? 0.2251 0.2485 0.1422 -0.0547 0.0047 0.0404 84 PHE B CA 3073 C C . PHE B 3 ? 0.2405 0.2459 0.1552 -0.0240 0.0067 0.0616 84 PHE B C 3074 O O . PHE B 3 ? 0.2577 0.2685 0.1851 0.0126 0.0152 0.0696 84 PHE B O 3075 C CB . PHE B 3 ? 0.2135 0.2311 0.1443 -0.0672 0.0011 0.0167 84 PHE B CB 3076 C CG . PHE B 3 ? 0.2127 0.2305 0.1173 -0.0402 0.0127 0.0266 84 PHE B CG 3077 C CD1 . PHE B 3 ? 0.2070 0.2283 0.1240 -0.0317 -0.0057 0.0285 84 PHE B CD1 3078 C CD2 . PHE B 3 ? 0.2207 0.2416 0.1048 -0.0263 0.0094 0.0135 84 PHE B CD2 3079 C CE1 . PHE B 3 ? 0.2145 0.2358 0.0993 -0.0279 0.0246 0.0571 84 PHE B CE1 3080 C CE2 . PHE B 3 ? 0.2324 0.2444 0.1241 -0.0106 0.0060 0.0514 84 PHE B CE2 3081 C CZ . PHE B 3 ? 0.2343 0.2539 0.1114 -0.0035 0.0141 0.0643 84 PHE B CZ 3082 N N . LEU B 4 ? 0.2287 0.2305 0.1640 -0.0375 0.0083 0.0623 85 LEU B N 3083 C CA . LEU B 4 ? 0.2260 0.2282 0.1604 -0.0263 -0.0065 0.0335 85 LEU B CA 3084 C C . LEU B 4 ? 0.2140 0.2355 0.1305 -0.0154 -0.0113 0.0233 85 LEU B C 3085 O O . LEU B 4 ? 0.2238 0.2564 0.1487 -0.0096 -0.0268 0.0189 85 LEU B O 3086 C CB . LEU B 4 ? 0.2455 0.2316 0.2107 -0.0185 0.0007 0.0353 85 LEU B CB 3087 C CG . LEU B 4 ? 0.2935 0.2482 0.2652 -0.0130 -0.0016 0.0398 85 LEU B CG 3088 C CD1 . LEU B 4 ? 0.3075 0.2658 0.2778 -0.0053 0.0016 0.0094 85 LEU B CD1 3089 C CD2 . LEU B 4 ? 0.3170 0.2528 0.3258 -0.0271 0.0069 0.0594 85 LEU B CD2 3090 N N . ASN B 5 ? 0.2185 0.2320 0.1354 0.0004 -0.0199 0.0298 86 ASN B N 3091 C CA . ASN B 5 ? 0.2340 0.2365 0.1307 0.0123 -0.0383 0.0214 86 ASN B CA 3092 C C . ASN B 5 ? 0.2073 0.2087 0.1419 -0.0119 -0.0240 0.0097 86 ASN B C 3093 O O . ASN B 5 ? 0.1935 0.2196 0.1377 -0.0182 -0.0169 0.0375 86 ASN B O 3094 C CB . ASN B 5 ? 0.2839 0.2769 0.1279 0.0420 -0.0181 0.0414 86 ASN B CB 3095 C CG . ASN B 5 ? 0.3269 0.3124 0.2306 0.0584 -0.0276 0.0392 86 ASN B CG 3096 O OD1 . ASN B 5 ? 0.3316 0.3318 0.2677 0.0514 0.0073 0.0149 86 ASN B OD1 3097 N ND2 . ASN B 5 ? 0.3649 0.3258 0.2607 0.0737 -0.0377 0.0539 86 ASN B ND2 3098 N N . ASN B 6 ? 0.2023 0.1820 0.1482 -0.0356 -0.0522 0.0018 87 ASN B N 3099 C CA . ASN B 6 ? 0.2262 0.1964 0.1281 -0.0124 -0.0570 0.0420 87 ASN B CA 3100 C C . ASN B 6 ? 0.2233 0.2029 0.1483 0.0101 -0.0442 0.0463 87 ASN B C 3101 O O . ASN B 6 ? 0.2162 0.2056 0.1492 0.0022 -0.0219 0.0549 87 ASN B O 3102 C CB . ASN B 6 ? 0.2656 0.2040 0.1393 0.0026 -0.0970 0.0415 87 ASN B CB 3103 C CG . ASN B 6 ? 0.3281 0.1954 0.1638 0.0061 -0.0804 0.0396 87 ASN B CG 3104 O OD1 . ASN B 6 ? 0.3413 0.1910 0.1374 -0.0096 -0.0499 0.0250 87 ASN B OD1 3105 N ND2 . ASN B 6 ? 0.3623 0.2091 0.2022 -0.0026 -0.0981 0.0143 87 ASN B ND2 3106 N N . THR B 7 ? 0.2251 0.2034 0.1570 0.0111 -0.0528 0.0138 88 THR B N 3107 C CA . THR B 7 ? 0.2269 0.2124 0.1536 -0.0013 -0.0558 0.0189 88 THR B CA 3108 C C . THR B 7 ? 0.2156 0.2027 0.1510 -0.0187 -0.0502 0.0348 88 THR B C 3109 O O . THR B 7 ? 0.2158 0.2119 0.1561 -0.0390 -0.0624 0.0338 88 THR B O 3110 C CB . THR B 7 ? 0.2556 0.2438 0.2172 0.0037 -0.0194 0.0039 88 THR B CB 3111 O OG1 . THR B 7 ? 0.2895 0.2831 0.2038 0.0099 -0.0342 0.0074 88 THR B OG1 3112 C CG2 . THR B 7 ? 0.2451 0.2464 0.2543 -0.0025 -0.0238 -0.0111 88 THR B CG2 3113 N N . GLU B 8 ? 0.2176 0.1915 0.1517 -0.0176 -0.0125 0.0306 89 GLU B N 3114 C CA . GLU B 8 ? 0.1990 0.1967 0.1866 -0.0470 -0.0215 0.0303 89 GLU B CA 3115 C C . GLU B 8 ? 0.1961 0.1851 0.1752 -0.0285 -0.0408 0.0220 89 GLU B C 3116 O O . GLU B 8 ? 0.2031 0.1923 0.1493 -0.0315 -0.0287 0.0238 89 GLU B O 3117 C CB . GLU B 8 ? 0.2106 0.2167 0.2020 -0.0685 0.0092 0.0456 89 GLU B CB 3118 C CG . GLU B 8 ? 0.2169 0.2447 0.2132 -0.0757 0.0250 0.0365 89 GLU B CG 3119 C CD . GLU B 8 ? 0.2642 0.2878 0.3009 -0.0911 0.0211 0.0511 89 GLU B CD 3120 O OE1 . GLU B 8 ? 0.2746 0.2806 0.3847 -0.0971 -0.0034 0.0592 89 GLU B OE1 3121 O OE2 . GLU B 8 ? 0.2885 0.3378 0.3630 -0.0756 0.0164 0.0353 89 GLU B OE2 3122 N N . PRO B 9 ? 0.1820 0.1780 0.1606 -0.0261 -0.0405 0.0393 90 PRO B N 3123 C CA . PRO B 9 ? 0.1917 0.1835 0.1471 -0.0150 -0.0430 0.0233 90 PRO B CA 3124 C C . PRO B 9 ? 0.2052 0.1772 0.1666 -0.0059 -0.0112 0.0266 90 PRO B C 3125 O O . PRO B 9 ? 0.2060 0.1845 0.1883 0.0092 -0.0011 0.0225 90 PRO B O 3126 C CB . PRO B 9 ? 0.1771 0.1797 0.1737 -0.0111 -0.0192 0.0615 90 PRO B CB 3127 C CG . PRO B 9 ? 0.1895 0.1931 0.1967 -0.0072 0.0040 0.0671 90 PRO B CG 3128 C CD . PRO B 9 ? 0.1914 0.1850 0.1613 0.0016 -0.0357 0.0370 90 PRO B CD 3129 N N . LEU B 10 ? 0.2019 0.1640 0.1087 -0.0203 -0.0094 0.0119 91 LEU B N 3130 C CA . LEU B 10 ? 0.2103 0.1464 0.1293 -0.0133 -0.0204 0.0353 91 LEU B CA 3131 C C . LEU B 10 ? 0.2047 0.1255 0.1670 -0.0240 -0.0680 0.0154 91 LEU B C 3132 O O . LEU B 10 ? 0.2158 0.1606 0.1782 -0.0262 -0.0596 0.0420 91 LEU B O 3133 C CB . LEU B 10 ? 0.1994 0.1444 0.1305 -0.0259 -0.0218 0.0489 91 LEU B CB 3134 C CG . LEU B 10 ? 0.1870 0.1563 0.1079 -0.0037 -0.0248 0.0587 91 LEU B CG 3135 C CD1 . LEU B 10 ? 0.1706 0.1674 0.1306 0.0142 -0.0227 0.0248 91 LEU B CD1 3136 C CD2 . LEU B 10 ? 0.1936 0.1604 0.1416 -0.0113 -0.0058 0.0120 91 LEU B CD2 3137 N N . CYS B 11 ? 0.2113 0.1124 0.1781 -0.0287 -0.0557 0.0134 92 CYS B N 3138 C CA . CYS B 11 ? 0.2070 0.1341 0.2092 -0.0091 -0.0546 0.0204 92 CYS B CA 3139 C C . CYS B 11 ? 0.2036 0.1331 0.2143 -0.0146 -0.0673 0.0140 92 CYS B C 3140 O O . CYS B 11 ? 0.2028 0.1199 0.2109 -0.0094 -0.0497 0.0164 92 CYS B O 3141 C CB . CYS B 11 ? 0.2163 0.1571 0.2749 -0.0144 -0.0317 0.0316 92 CYS B CB 3142 S SG . CYS B 11 ? 0.2332 0.2026 0.3369 -0.0269 -0.0469 0.0584 92 CYS B SG 3143 N N . ASN B 12 ? 0.2087 0.1494 0.2004 0.0122 -0.0574 0.0178 93 ASN B N 3144 C CA . ASN B 12 ? 0.2127 0.1659 0.2160 0.0233 -0.0876 0.0099 93 ASN B CA 3145 C C . ASN B 12 ? 0.2290 0.1350 0.2344 0.0263 -0.0950 0.0275 93 ASN B C 3146 O O . ASN B 12 ? 0.2805 0.1584 0.2184 -0.0127 -0.1002 0.0138 93 ASN B O 3147 C CB . ASN B 12 ? 0.2140 0.1881 0.2406 0.0218 -0.0934 0.0078 93 ASN B CB 3148 C CG . ASN B 12 ? 0.2302 0.2164 0.2743 0.0152 -0.0897 0.0021 93 ASN B CG 3149 O OD1 . ASN B 12 ? 0.2316 0.2214 0.2778 0.0087 -0.1135 -0.0010 93 ASN B OD1 3150 N ND2 . ASN B 12 ? 0.2382 0.2530 0.2582 0.0074 -0.1191 -0.0105 93 ASN B ND2 3151 N N . VAL B 13 ? 0.2060 0.1257 0.2054 0.0267 -0.0862 -0.0193 94 VAL B N 3152 C CA . VAL B 13 ? 0.1996 0.1486 0.2116 0.0306 -0.0820 -0.0271 94 VAL B CA 3153 C C . VAL B 13 ? 0.1980 0.1635 0.2350 0.0339 -0.0806 -0.0145 94 VAL B C 3154 O O . VAL B 13 ? 0.2176 0.1630 0.2304 0.0347 -0.0653 -0.0141 94 VAL B O 3155 C CB . VAL B 13 ? 0.1820 0.1440 0.2128 0.0316 -0.0592 0.0187 94 VAL B CB 3156 C CG1 . VAL B 13 ? 0.1738 0.1358 0.1843 0.0385 -0.0322 0.0079 94 VAL B CG1 3157 C CG2 . VAL B 13 ? 0.1950 0.1559 0.2204 0.0261 -0.0671 0.0437 94 VAL B CG2 3158 N N . SER B 14 ? 0.1936 0.1635 0.2266 0.0248 -0.0981 -0.0157 95 SER B N 3159 C CA . SER B 14 ? 0.1772 0.1723 0.2283 0.0281 -0.0869 -0.0091 95 SER B CA 3160 C C . SER B 14 ? 0.1689 0.1585 0.2376 0.0292 -0.0551 -0.0093 95 SER B C 3161 O O . SER B 14 ? 0.1671 0.1865 0.2556 0.0457 -0.0360 -0.0209 95 SER B O 3162 C CB . SER B 14 ? 0.2032 0.2178 0.2286 0.0459 -0.0990 0.0234 95 SER B CB 3163 O OG . SER B 14 ? 0.2445 0.2520 0.2964 0.0409 -0.0937 0.0129 95 SER B OG 3164 N N . GLY B 15 ? 0.1684 0.1525 0.2136 0.0006 -0.0659 -0.0186 96 GLY B N 3165 C CA . GLY B 15 ? 0.1738 0.1714 0.2293 0.0018 -0.0645 -0.0146 96 GLY B CA 3166 C C . GLY B 15 ? 0.1699 0.1591 0.1922 0.0085 -0.0620 0.0123 96 GLY B C 3167 O O . GLY B 15 ? 0.1838 0.1546 0.2228 0.0203 -0.0490 0.0147 96 GLY B O 3168 N N . PHE B 16 ? 0.1625 0.1591 0.1780 -0.0100 -0.0556 0.0192 97 PHE B N 3169 C CA . PHE B 16 ? 0.1452 0.1300 0.1729 -0.0172 -0.0298 0.0413 97 PHE B CA 3170 C C . PHE B 16 ? 0.1433 0.1474 0.1654 -0.0112 -0.0314 0.0183 97 PHE B C 3171 O O . PHE B 16 ? 0.1411 0.1750 0.1758 -0.0114 -0.0047 -0.0015 97 PHE B O 3172 C CB . PHE B 16 ? 0.1616 0.1355 0.2105 -0.0348 -0.0505 0.0414 97 PHE B CB 3173 C CG . PHE B 16 ? 0.2048 0.1248 0.2491 -0.0600 -0.0990 0.0636 97 PHE B CG 3174 C CD1 . PHE B 16 ? 0.2358 0.1215 0.2423 -0.0573 -0.1096 0.0548 97 PHE B CD1 3175 C CD2 . PHE B 16 ? 0.2316 0.1384 0.3334 -0.0698 -0.1166 0.0449 97 PHE B CD2 3176 C CE1 . PHE B 16 ? 0.2617 0.1300 0.2859 -0.0733 -0.1028 0.0487 97 PHE B CE1 3177 C CE2 . PHE B 16 ? 0.2565 0.1458 0.3662 -0.0675 -0.1363 0.0230 97 PHE B CE2 3178 C CZ . PHE B 16 ? 0.2723 0.1535 0.3409 -0.0654 -0.1150 0.0376 97 PHE B CZ 3179 N N . ALA B 17 ? 0.1247 0.1124 0.2042 -0.0230 -0.0344 0.0246 98 ALA B N 3180 C CA . ALA B 17 ? 0.1331 0.1072 0.1864 -0.0193 -0.0224 0.0241 98 ALA B CA 3181 C C . ALA B 17 ? 0.1238 0.1135 0.1484 -0.0244 -0.0389 0.0240 98 ALA B C 3182 O O . ALA B 17 ? 0.1297 0.1082 0.1742 -0.0002 -0.0401 -0.0074 98 ALA B O 3183 C CB . ALA B 17 ? 0.1474 0.1120 0.1708 -0.0107 0.0167 0.0119 98 ALA B CB 3184 N N . ILE B 18 ? 0.1174 0.1215 0.1262 -0.0020 -0.0473 0.0287 99 ILE B N 3185 C CA . ILE B 18 ? 0.1190 0.1194 0.1300 0.0268 -0.0219 0.0021 99 ILE B CA 3186 C C . ILE B 18 ? 0.1054 0.1128 0.1251 0.0005 -0.0100 0.0166 99 ILE B C 3187 O O . ILE B 18 ? 0.1217 0.1003 0.1573 0.0362 -0.0061 0.0339 99 ILE B O 3188 C CB . ILE B 18 ? 0.1505 0.1074 0.1332 0.0241 -0.0302 -0.0070 99 ILE B CB 3189 C CG1 . ILE B 18 ? 0.1694 0.1431 0.0981 0.0149 -0.0116 -0.0029 99 ILE B CG1 3190 C CG2 . ILE B 18 ? 0.1672 0.0883 0.1797 0.0322 -0.0020 0.0068 99 ILE B CG2 3191 C CD1 . ILE B 18 ? 0.1882 0.1474 0.0629 0.0241 -0.0155 -0.0159 99 ILE B CD1 3192 N N . VAL B 19 ? 0.0885 0.1446 0.1235 0.0169 -0.0018 0.0069 100 VAL B N 3193 C CA . VAL B 19 ? 0.0975 0.1767 0.0990 0.0236 -0.0115 -0.0149 100 VAL B CA 3194 C C . VAL B 19 ? 0.1012 0.1593 0.0891 -0.0024 0.0012 -0.0033 100 VAL B C 3195 O O . VAL B 19 ? 0.1170 0.1685 0.1586 -0.0160 -0.0102 0.0382 100 VAL B O 3196 C CB . VAL B 19 ? 0.1125 0.2285 0.1026 0.0088 0.0200 -0.0346 100 VAL B CB 3197 C CG1 . VAL B 19 ? 0.1327 0.2397 0.1834 0.0172 0.0214 -0.0498 100 VAL B CG1 3198 C CG2 . VAL B 19 ? 0.1295 0.2453 0.1349 0.0007 0.0096 -0.0431 100 VAL B CG2 3199 N N . SER B 20 ? 0.0979 0.1459 0.0952 0.0106 -0.0122 -0.0122 101 SER B N 3200 C CA . SER B 20 ? 0.1040 0.1406 0.0883 -0.0012 0.0045 0.0092 101 SER B CA 3201 C C . SER B 20 ? 0.0995 0.1248 0.0824 -0.0112 0.0176 0.0220 101 SER B C 3202 O O . SER B 20 ? 0.0934 0.1309 0.1421 -0.0201 0.0040 0.0251 101 SER B O 3203 C CB . SER B 20 ? 0.1491 0.1451 0.1828 -0.0153 0.0384 -0.0115 101 SER B CB 3204 O OG . SER B 20 ? 0.1645 0.1634 0.1666 -0.0131 0.0161 -0.0121 101 SER B OG 3205 N N . LYS B 21 ? 0.1171 0.1418 0.0729 -0.0189 -0.0186 0.0156 102 LYS B N 3206 C CA . LYS B 21 ? 0.1323 0.1621 0.0788 0.0087 0.0059 0.0167 102 LYS B CA 3207 C C . LYS B 21 ? 0.1149 0.1501 0.1198 0.0219 -0.0232 0.0254 102 LYS B C 3208 O O . LYS B 21 ? 0.1238 0.1727 0.1729 -0.0033 -0.0126 0.0216 102 LYS B O 3209 C CB . LYS B 21 ? 0.1303 0.1566 0.0819 0.0063 0.0308 0.0211 102 LYS B CB 3210 C CG . LYS B 21 ? 0.1293 0.1628 0.0833 0.0419 0.0453 0.0198 102 LYS B CG 3211 C CD . LYS B 21 ? 0.1170 0.1700 0.0851 0.0479 0.0591 0.0104 102 LYS B CD 3212 C CE . LYS B 21 ? 0.0990 0.1816 0.1096 0.0351 0.0366 0.0303 102 LYS B CE 3213 N NZ . LYS B 21 ? 0.1269 0.2009 0.1091 0.0242 0.0229 0.0300 102 LYS B NZ 3214 N N . ASP B 22 ? 0.1122 0.1369 0.1085 0.0211 -0.0150 0.0007 103 ASP B N 3215 C CA . ASP B 22 ? 0.1264 0.1404 0.1383 -0.0039 -0.0457 0.0052 103 ASP B CA 3216 C C . ASP B 22 ? 0.1088 0.1382 0.0828 0.0057 -0.0179 0.0053 103 ASP B C 3217 O O . ASP B 22 ? 0.1017 0.1416 0.1459 -0.0113 -0.0076 -0.0037 103 ASP B O 3218 C CB . ASP B 22 ? 0.1710 0.1704 0.1810 -0.0239 -0.0154 -0.0106 103 ASP B CB 3219 C CG . ASP B 22 ? 0.2276 0.2409 0.3032 -0.0782 -0.0494 -0.0209 103 ASP B CG 3220 O OD1 . ASP B 22 ? 0.2498 0.2376 0.2986 -0.1023 -0.0147 -0.0453 103 ASP B OD1 3221 O OD2 . ASP B 22 ? 0.2772 0.3034 0.4023 -0.0627 -0.0373 -0.0109 103 ASP B OD2 3222 N N . ASN B 23 ? 0.1225 0.1193 0.0700 -0.0008 -0.0045 -0.0098 104 ASN B N 3223 C CA . ASN B 23 ? 0.1319 0.1145 0.1063 -0.0149 -0.0013 0.0072 104 ASN B CA 3224 C C . ASN B 23 ? 0.1333 0.1018 0.1268 0.0079 0.0200 -0.0180 104 ASN B C 3225 O O . ASN B 23 ? 0.1297 0.0886 0.1265 -0.0037 0.0133 -0.0060 104 ASN B O 3226 C CB . ASN B 23 ? 0.1341 0.1181 0.1325 -0.0103 -0.0121 0.0236 104 ASN B CB 3227 C CG . ASN B 23 ? 0.1590 0.1487 0.1499 0.0000 0.0268 0.0585 104 ASN B CG 3228 O OD1 . ASN B 23 ? 0.1719 0.1522 0.1415 0.0142 0.0317 0.0189 104 ASN B OD1 3229 N ND2 . ASN B 23 ? 0.1780 0.1834 0.1832 0.0249 0.0512 0.0779 104 ASN B ND2 3230 N N . GLY B 24 ? 0.1479 0.1128 0.1129 0.0288 0.0128 0.0074 105 GLY B N 3231 C CA . GLY B 24 ? 0.1361 0.1171 0.1091 0.0252 0.0115 0.0260 105 GLY B CA 3232 C C . GLY B 24 ? 0.1368 0.1224 0.1209 0.0212 0.0047 0.0090 105 GLY B C 3233 O O . GLY B 24 ? 0.1155 0.1146 0.1410 0.0238 0.0297 -0.0003 105 GLY B O 3234 N N . ILE B 25 ? 0.1512 0.1254 0.1173 -0.0068 0.0223 0.0048 106 ILE B N 3235 C CA . ILE B 25 ? 0.1430 0.1313 0.0840 -0.0187 0.0452 0.0090 106 ILE B CA 3236 C C . ILE B 25 ? 0.1327 0.1341 0.1017 -0.0164 0.0304 0.0075 106 ILE B C 3237 O O . ILE B 25 ? 0.1334 0.1545 0.1073 -0.0127 0.0051 0.0097 106 ILE B O 3238 C CB . ILE B 25 ? 0.1396 0.1201 0.1001 -0.0142 0.0236 0.0143 106 ILE B CB 3239 C CG1 . ILE B 25 ? 0.1121 0.1379 0.1180 -0.0237 0.0491 -0.0072 106 ILE B CG1 3240 C CG2 . ILE B 25 ? 0.1527 0.1374 0.0905 -0.0081 0.0328 0.0217 106 ILE B CG2 3241 C CD1 . ILE B 25 ? 0.1052 0.1374 0.1542 -0.0248 0.0505 0.0271 106 ILE B CD1 3242 N N . ARG B 26 ? 0.1190 0.1081 0.1034 -0.0121 0.0005 -0.0079 107 ARG B N 3243 C CA . ARG B 26 ? 0.1310 0.1316 0.1086 0.0028 -0.0159 -0.0032 107 ARG B CA 3244 C C . ARG B 26 ? 0.1207 0.1323 0.0775 -0.0015 0.0097 -0.0149 107 ARG B C 3245 O O . ARG B 26 ? 0.1222 0.1573 0.1066 -0.0099 -0.0146 0.0027 107 ARG B O 3246 C CB . ARG B 26 ? 0.1197 0.1320 0.1119 0.0317 0.0020 0.0169 107 ARG B CB 3247 C CG . ARG B 26 ? 0.1251 0.1384 0.1368 0.0504 0.0323 0.0060 107 ARG B CG 3248 C CD . ARG B 26 ? 0.1467 0.1141 0.1473 0.0169 0.0195 0.0222 107 ARG B CD 3249 N NE . ARG B 26 ? 0.1598 0.1259 0.1463 0.0191 0.0072 0.0327 107 ARG B NE 3250 C CZ . ARG B 26 ? 0.1677 0.1416 0.1510 -0.0066 0.0092 0.0158 107 ARG B CZ 3251 N NH1 . ARG B 26 ? 0.1696 0.1465 0.1687 0.0075 0.0331 0.0112 107 ARG B NH1 3252 N NH2 . ARG B 26 ? 0.1871 0.1575 0.1675 -0.0141 0.0023 0.0258 107 ARG B NH2 3253 N N . ILE B 27 ? 0.1097 0.1076 0.0977 -0.0099 0.0392 -0.0050 108 ILE B N 3254 C CA . ILE B 27 ? 0.1258 0.1304 0.1022 0.0127 0.0358 0.0257 108 ILE B CA 3255 C C . ILE B 27 ? 0.1262 0.1320 0.1353 0.0081 0.0026 0.0349 108 ILE B C 3256 O O . ILE B 27 ? 0.1393 0.1384 0.1419 0.0035 0.0038 0.0097 108 ILE B O 3257 C CB . ILE B 27 ? 0.1004 0.1279 0.0770 0.0018 0.0159 0.0204 108 ILE B CB 3258 C CG1 . ILE B 27 ? 0.1276 0.1126 0.0473 -0.0039 -0.0004 0.0192 108 ILE B CG1 3259 C CG2 . ILE B 27 ? 0.0927 0.1501 0.1291 -0.0061 0.0458 0.0089 108 ILE B CG2 3260 C CD1 . ILE B 27 ? 0.1494 0.1194 0.0650 -0.0116 -0.0184 0.0125 108 ILE B CD1 3261 N N . GLY B 28 ? 0.1412 0.1219 0.0845 0.0063 0.0142 0.0436 109 GLY B N 3262 C CA . GLY B 28 ? 0.1393 0.1539 0.0846 0.0088 -0.0126 0.0216 109 GLY B CA 3263 C C . GLY B 28 ? 0.1282 0.1500 0.0950 0.0020 -0.0032 0.0052 109 GLY B C 3264 O O . GLY B 28 ? 0.1307 0.1639 0.1110 0.0011 -0.0083 0.0212 109 GLY B O 3265 N N . SER B 29 ? 0.1262 0.1625 0.0767 -0.0060 0.0094 -0.0117 110 SER B N 3266 C CA . SER B 29 ? 0.1179 0.1514 0.1182 -0.0196 0.0175 -0.0193 110 SER B CA 3267 C C . SER B 29 ? 0.1327 0.1490 0.1327 -0.0142 -0.0002 0.0003 110 SER B C 3268 O O . SER B 29 ? 0.1404 0.1349 0.1487 -0.0402 -0.0081 0.0151 110 SER B O 3269 C CB . SER B 29 ? 0.1473 0.1601 0.1018 -0.0081 0.0009 -0.0118 110 SER B CB 3270 O OG . SER B 29 ? 0.1647 0.1776 0.1173 -0.0062 0.0053 -0.0063 110 SER B OG 3271 N N . ARG B 30 ? 0.1308 0.1421 0.1266 0.0020 0.0230 0.0013 111 ARG B N 3272 C CA . ARG B 30 ? 0.1198 0.1271 0.1032 -0.0070 0.0146 -0.0359 111 ARG B CA 3273 C C . ARG B 30 ? 0.1248 0.1391 0.1081 0.0000 0.0082 -0.0007 111 ARG B C 3274 O O . ARG B 30 ? 0.1316 0.1542 0.1344 0.0061 -0.0017 -0.0168 111 ARG B O 3275 C CB . ARG B 30 ? 0.0956 0.1105 0.1750 -0.0338 -0.0011 -0.0241 111 ARG B CB 3276 C CG . ARG B 30 ? 0.1232 0.1004 0.1844 -0.0303 -0.0028 -0.0270 111 ARG B CG 3277 C CD . ARG B 30 ? 0.1383 0.1084 0.1699 -0.0201 -0.0222 -0.0073 111 ARG B CD 3278 N NE . ARG B 30 ? 0.1471 0.1269 0.1755 0.0107 -0.0038 -0.0180 111 ARG B NE 3279 C CZ . ARG B 30 ? 0.1565 0.1603 0.1549 -0.0010 -0.0026 0.0088 111 ARG B CZ 3280 N NH1 . ARG B 30 ? 0.1723 0.1523 0.1778 0.0039 0.0251 0.0349 111 ARG B NH1 3281 N NH2 . ARG B 30 ? 0.1560 0.1698 0.1878 -0.0021 -0.0286 -0.0100 111 ARG B NH2 3282 N N . GLY B 31 ? 0.1325 0.1421 0.1111 0.0026 0.0140 -0.0298 112 GLY B N 3283 C CA . GLY B 31 ? 0.1307 0.1269 0.1463 -0.0015 0.0201 -0.0225 112 GLY B CA 3284 C C . GLY B 31 ? 0.1320 0.1120 0.1196 0.0067 0.0364 0.0020 112 GLY B C 3285 O O . GLY B 31 ? 0.1683 0.1220 0.1128 -0.0054 0.0285 -0.0030 112 GLY B O 3286 N N . HIS B 32 ? 0.1130 0.0798 0.1179 0.0151 -0.0081 -0.0216 113 HIS B N 3287 C CA . HIS B 32 ? 0.1114 0.1097 0.1356 -0.0115 -0.0132 -0.0353 113 HIS B CA 3288 C C . HIS B 32 ? 0.1201 0.1251 0.1102 -0.0050 -0.0162 -0.0295 113 HIS B C 3289 O O . HIS B 32 ? 0.1304 0.1541 0.1034 0.0034 -0.0176 -0.0309 113 HIS B O 3290 C CB . HIS B 32 ? 0.1094 0.1355 0.1110 -0.0076 -0.0042 0.0105 113 HIS B CB 3291 C CG . HIS B 32 ? 0.0986 0.1345 0.0875 -0.0059 -0.0114 -0.0019 113 HIS B CG 3292 N ND1 . HIS B 32 ? 0.0976 0.1440 0.1189 0.0099 -0.0229 0.0056 113 HIS B ND1 3293 C CD2 . HIS B 32 ? 0.1150 0.1302 0.0996 0.0007 -0.0267 0.0117 113 HIS B CD2 3294 C CE1 . HIS B 32 ? 0.1094 0.1500 0.1216 0.0062 -0.0041 -0.0113 113 HIS B CE1 3295 N NE2 . HIS B 32 ? 0.1019 0.1520 0.1262 0.0027 -0.0454 0.0005 113 HIS B NE2 3296 N N . VAL B 33 ? 0.1152 0.1004 0.1116 -0.0338 -0.0118 -0.0181 114 VAL B N 3297 C CA . VAL B 33 ? 0.1092 0.1060 0.1289 -0.0403 -0.0078 -0.0022 114 VAL B CA 3298 C C . VAL B 33 ? 0.1146 0.1093 0.1023 -0.0216 -0.0256 -0.0045 114 VAL B C 3299 O O . VAL B 33 ? 0.1344 0.1354 0.1008 -0.0137 -0.0075 0.0092 114 VAL B O 3300 C CB . VAL B 33 ? 0.0971 0.1057 0.1603 -0.0302 0.0008 -0.0100 114 VAL B CB 3301 C CG1 . VAL B 33 ? 0.0967 0.1311 0.1536 -0.0152 0.0076 -0.0052 114 VAL B CG1 3302 C CG2 . VAL B 33 ? 0.1223 0.1090 0.1633 -0.0325 -0.0012 -0.0230 114 VAL B CG2 3303 N N . PHE B 34 ? 0.1088 0.0896 0.1252 -0.0153 -0.0230 -0.0041 115 PHE B N 3304 C CA . PHE B 34 ? 0.1217 0.1026 0.1202 -0.0047 -0.0086 -0.0039 115 PHE B CA 3305 C C . PHE B 34 ? 0.1296 0.1140 0.1205 0.0018 0.0033 0.0072 115 PHE B C 3306 O O . PHE B 34 ? 0.1400 0.1226 0.1261 -0.0113 -0.0095 0.0166 115 PHE B O 3307 C CB . PHE B 34 ? 0.1213 0.1073 0.0969 0.0123 0.0093 -0.0113 115 PHE B CB 3308 C CG . PHE B 34 ? 0.0982 0.1216 0.0932 0.0119 -0.0012 0.0182 115 PHE B CG 3309 C CD1 . PHE B 34 ? 0.1121 0.1255 0.1324 0.0066 -0.0297 0.0113 115 PHE B CD1 3310 C CD2 . PHE B 34 ? 0.1205 0.1417 0.0814 -0.0066 0.0075 -0.0288 115 PHE B CD2 3311 C CE1 . PHE B 34 ? 0.1382 0.1633 0.1477 -0.0057 0.0016 0.0127 115 PHE B CE1 3312 C CE2 . PHE B 34 ? 0.0989 0.1514 0.1302 -0.0147 -0.0204 -0.0070 115 PHE B CE2 3313 C CZ . PHE B 34 ? 0.1308 0.1499 0.1329 -0.0248 -0.0018 0.0254 115 PHE B CZ 3314 N N . VAL B 35 ? 0.1459 0.1446 0.1074 -0.0012 0.0179 0.0198 116 VAL B N 3315 C CA . VAL B 35 ? 0.1737 0.1402 0.1245 -0.0372 -0.0082 0.0230 116 VAL B CA 3316 C C . VAL B 35 ? 0.1645 0.1176 0.1149 -0.0169 -0.0365 0.0245 116 VAL B C 3317 O O . VAL B 35 ? 0.1841 0.1358 0.1698 -0.0035 -0.0491 -0.0174 116 VAL B O 3318 C CB . VAL B 35 ? 0.2124 0.1806 0.1483 -0.0790 -0.0296 0.0133 116 VAL B CB 3319 C CG1 . VAL B 35 ? 0.2344 0.2080 0.2155 -0.0486 -0.0014 0.0520 116 VAL B CG1 3320 C CG2 . VAL B 35 ? 0.2549 0.2021 0.1369 -0.1108 -0.0488 -0.0085 116 VAL B CG2 3321 N N . ILE B 36 ? 0.1375 0.1321 0.0962 -0.0323 -0.0460 0.0048 117 ILE B N 3322 C CA . ILE B 36 ? 0.1231 0.1427 0.1052 -0.0223 -0.0219 -0.0057 117 ILE B CA 3323 C C . ILE B 36 ? 0.1211 0.1592 0.1210 -0.0141 0.0054 -0.0269 117 ILE B C 3324 O O . ILE B 36 ? 0.1410 0.1965 0.1414 -0.0233 0.0379 -0.0552 117 ILE B O 3325 C CB . ILE B 36 ? 0.1141 0.1445 0.1342 0.0219 -0.0032 0.0105 117 ILE B CB 3326 C CG1 . ILE B 36 ? 0.1452 0.1449 0.0985 0.0323 -0.0385 0.0377 117 ILE B CG1 3327 C CG2 . ILE B 36 ? 0.1154 0.1561 0.1679 0.0165 -0.0140 0.0104 117 ILE B CG2 3328 C CD1 . ILE B 36 ? 0.1492 0.1487 0.1423 0.0282 -0.0291 0.0007 117 ILE B CD1 3329 N N . ARG B 37 ? 0.1244 0.1408 0.1274 -0.0207 -0.0149 -0.0093 118 ARG B N 3330 C CA . ARG B 37 ? 0.1084 0.1582 0.1664 -0.0319 -0.0058 0.0205 118 ARG B CA 3331 C C . ARG B 37 ? 0.1059 0.1848 0.1164 -0.0192 0.0278 0.0070 118 ARG B C 3332 O O . ARG B 37 ? 0.1015 0.2107 0.1081 -0.0057 -0.0119 0.0042 118 ARG B O 3333 C CB . ARG B 37 ? 0.1189 0.1615 0.1696 -0.0318 -0.0240 0.0393 118 ARG B CB 3334 C CG . ARG B 37 ? 0.1370 0.2061 0.1415 -0.0130 0.0129 0.0428 118 ARG B CG 3335 C CD . ARG B 37 ? 0.1506 0.2103 0.0960 0.0327 0.0193 0.0060 118 ARG B CD 3336 N NE . ARG B 37 ? 0.1367 0.2121 0.1543 0.0195 0.0029 0.0148 118 ARG B NE 3337 C CZ . ARG B 37 ? 0.1439 0.1992 0.1394 0.0308 -0.0173 0.0411 118 ARG B CZ 3338 N NH1 . ARG B 37 ? 0.1929 0.1939 0.2046 0.0494 0.0249 0.0638 118 ARG B NH1 3339 N NH2 . ARG B 37 ? 0.1163 0.1834 0.2140 -0.0026 -0.0138 0.0056 118 ARG B NH2 3340 N N . GLU B 38 ? 0.1090 0.1966 0.1360 -0.0062 -0.0068 -0.0116 119 GLU B N 3341 C CA . GLU B 38 ? 0.1241 0.1970 0.1715 -0.0151 -0.0225 -0.0479 119 GLU B CA 3342 C C . GLU B 38 ? 0.1273 0.2125 0.1301 0.0082 -0.0146 -0.0481 119 GLU B C 3343 O O . GLU B 38 ? 0.1209 0.2561 0.1272 0.0108 -0.0166 -0.0192 119 GLU B O 3344 C CB . GLU B 38 ? 0.1350 0.1931 0.2047 -0.0078 -0.0235 -0.0329 119 GLU B CB 3345 C CG . GLU B 38 ? 0.1704 0.2017 0.2322 -0.0098 -0.0545 -0.0306 119 GLU B CG 3346 C CD . GLU B 38 ? 0.1863 0.2063 0.2325 0.0059 -0.0411 -0.0249 119 GLU B CD 3347 O OE1 . GLU B 38 ? 0.1845 0.2178 0.2712 0.0270 -0.0457 -0.0250 119 GLU B OE1 3348 O OE2 . GLU B 38 ? 0.1963 0.2051 0.2250 0.0011 0.0154 -0.0125 119 GLU B OE2 3349 N N . PRO B 39 ? 0.1257 0.1869 0.1467 -0.0216 0.0005 -0.0295 120 PRO B N 3350 C CA . PRO B 39 ? 0.1348 0.1852 0.1412 -0.0219 -0.0190 -0.0075 120 PRO B CA 3351 C C . PRO B 39 ? 0.1563 0.1795 0.1716 0.0028 -0.0170 0.0093 120 PRO B C 3352 O O . PRO B 39 ? 0.1786 0.1843 0.1742 0.0162 -0.0214 -0.0130 120 PRO B O 3353 C CB . PRO B 39 ? 0.1231 0.1857 0.1463 -0.0135 0.0109 -0.0136 120 PRO B CB 3354 C CG . PRO B 39 ? 0.1633 0.1898 0.1977 -0.0187 0.0135 -0.0140 120 PRO B CG 3355 C CD . PRO B 39 ? 0.1491 0.1691 0.1716 -0.0064 0.0364 -0.0253 120 PRO B CD 3356 N N . PHE B 40 ? 0.1246 0.1439 0.1204 -0.0151 -0.0371 -0.0206 121 PHE B N 3357 C CA . PHE B 40 ? 0.1122 0.1240 0.1180 -0.0083 -0.0173 -0.0142 121 PHE B CA 3358 C C . PHE B 40 ? 0.1086 0.1279 0.1139 -0.0111 0.0053 0.0214 121 PHE B C 3359 O O . PHE B 40 ? 0.1214 0.1951 0.1481 -0.0212 -0.0070 0.0659 121 PHE B O 3360 C CB . PHE B 40 ? 0.1105 0.1139 0.1519 -0.0025 0.0012 -0.0624 121 PHE B CB 3361 C CG . PHE B 40 ? 0.1076 0.1366 0.1367 -0.0174 -0.0009 -0.0194 121 PHE B CG 3362 C CD1 . PHE B 40 ? 0.0965 0.1436 0.1841 -0.0091 0.0028 -0.0500 121 PHE B CD1 3363 C CD2 . PHE B 40 ? 0.0985 0.1345 0.1863 0.0014 -0.0121 -0.0262 121 PHE B CD2 3364 C CE1 . PHE B 40 ? 0.0991 0.1434 0.1588 -0.0201 -0.0387 -0.0193 121 PHE B CE1 3365 C CE2 . PHE B 40 ? 0.1029 0.1381 0.1505 -0.0150 0.0026 -0.0114 121 PHE B CE2 3366 C CZ . PHE B 40 ? 0.1040 0.1377 0.1699 -0.0097 -0.0087 -0.0211 121 PHE B CZ 3367 N N . VAL B 41 ? 0.1072 0.1122 0.1092 0.0009 0.0010 0.0288 122 VAL B N 3368 C CA . VAL B 41 ? 0.1268 0.0977 0.1027 0.0122 0.0112 0.0112 122 VAL B CA 3369 C C . VAL B 41 ? 0.1377 0.1226 0.0862 -0.0027 -0.0168 0.0023 122 VAL B C 3370 O O . VAL B 41 ? 0.1541 0.1181 0.1288 -0.0095 -0.0267 0.0116 122 VAL B O 3371 C CB . VAL B 41 ? 0.1341 0.1010 0.1101 -0.0017 -0.0049 0.0066 122 VAL B CB 3372 C CG1 . VAL B 41 ? 0.1471 0.1315 0.1561 0.0051 0.0132 0.0088 122 VAL B CG1 3373 C CG2 . VAL B 41 ? 0.1421 0.1241 0.1322 -0.0225 -0.0189 -0.0342 122 VAL B CG2 3374 N N . ALA B 42 ? 0.1244 0.1422 0.1076 -0.0167 0.0054 0.0008 123 ALA B N 3375 C CA . ALA B 42 ? 0.1247 0.1486 0.1226 -0.0112 -0.0012 -0.0115 123 ALA B CA 3376 C C . ALA B 42 ? 0.1563 0.1526 0.1349 -0.0108 0.0103 0.0171 123 ALA B C 3377 O O . ALA B 42 ? 0.1475 0.1256 0.1437 -0.0183 0.0284 0.0194 123 ALA B O 3378 C CB . ALA B 42 ? 0.1256 0.1558 0.1737 0.0140 0.0096 -0.0335 123 ALA B CB 3379 N N . CYS B 43 ? 0.1847 0.1652 0.1213 -0.0075 0.0410 0.0214 124 CYS B N 3380 C CA . CYS B 43 ? 0.2064 0.1814 0.1662 -0.0230 0.0589 0.0127 124 CYS B CA 3381 C C . CYS B 43 ? 0.2506 0.1916 0.1785 -0.0302 0.0520 0.0107 124 CYS B C 3382 O O . CYS B 43 ? 0.2863 0.2121 0.2007 -0.0376 0.0366 -0.0088 124 CYS B O 3383 C CB . CYS B 43 ? 0.2088 0.1769 0.2201 -0.0118 0.0248 -0.0107 124 CYS B CB 3384 S SG . CYS B 43 ? 0.2143 0.2086 0.3011 -0.0153 0.0093 -0.0131 124 CYS B SG 3385 N N . GLY B 44 ? 0.2534 0.2034 0.1851 -0.0142 0.0791 0.0466 125 GLY B N 3386 C CA . GLY B 44 ? 0.2992 0.2203 0.2327 0.0015 0.0694 0.0382 125 GLY B CA 3387 C C . GLY B 44 ? 0.3386 0.2370 0.2436 0.0162 0.0640 0.0450 125 GLY B C 3388 O O . GLY B 44 ? 0.3303 0.2500 0.2816 0.0342 0.0395 0.0399 125 GLY B O 3389 N N . PRO B 45 ? 0.3918 0.2419 0.2508 0.0186 0.1176 0.0499 126 PRO B N 3390 C CA . PRO B 45 ? 0.4326 0.2576 0.2948 -0.0059 0.1233 0.0616 126 PRO B CA 3391 C C . PRO B 45 ? 0.4715 0.2740 0.3146 -0.0242 0.0893 0.0685 126 PRO B C 3392 O O . PRO B 45 ? 0.5117 0.2864 0.3687 -0.0002 0.0399 0.0467 126 PRO B O 3393 C CB . PRO B 45 ? 0.4445 0.2666 0.2622 0.0054 0.1335 0.0501 126 PRO B CB 3394 C CG . PRO B 45 ? 0.4418 0.2774 0.2837 0.0150 0.1468 0.0321 126 PRO B CG 3395 C CD . PRO B 45 ? 0.4165 0.2541 0.2621 0.0221 0.1406 0.0244 126 PRO B CD 3396 N N . THR B 46 ? 0.4613 0.2890 0.2551 -0.0698 0.1241 0.0737 127 THR B N 3397 C CA . THR B 46 ? 0.4473 0.3255 0.3073 -0.0829 0.0974 0.0652 127 THR B CA 3398 C C . THR B 46 ? 0.4088 0.2994 0.2387 -0.0816 0.0999 0.0750 127 THR B C 3399 O O . THR B 46 ? 0.4333 0.3090 0.2671 -0.0973 0.0720 0.0684 127 THR B O 3400 C CB . THR B 46 ? 0.4563 0.3728 0.3547 -0.0914 0.1194 0.0657 127 THR B CB 3401 O OG1 . THR B 46 ? 0.4585 0.4008 0.4247 -0.0878 0.1121 0.0431 127 THR B OG1 3402 C CG2 . THR B 46 ? 0.4651 0.3921 0.3874 -0.0976 0.1057 0.0439 127 THR B CG2 3403 N N . GLU B 47 ? 0.3502 0.2971 0.1949 -0.0440 0.1151 0.0584 128 GLU B N 3404 C CA . GLU B 47 ? 0.2958 0.2805 0.1831 -0.0314 0.0818 0.0862 128 GLU B CA 3405 C C . GLU B 47 ? 0.2504 0.2287 0.1960 0.0057 0.0490 0.0623 128 GLU B C 3406 O O . GLU B 47 ? 0.2527 0.2438 0.2224 0.0425 0.0461 0.0498 128 GLU B O 3407 C CB . GLU B 47 ? 0.3134 0.3096 0.3297 -0.0212 0.0634 0.0789 128 GLU B CB 3408 C CG . GLU B 47 ? 0.3147 0.2967 0.3882 -0.0166 0.0667 0.0755 128 GLU B CG 3409 C CD . GLU B 47 ? 0.3376 0.2906 0.4473 -0.0089 0.0962 0.0539 128 GLU B CD 3410 O OE1 . GLU B 47 ? 0.3807 0.3095 0.5499 -0.0052 0.1070 0.0261 128 GLU B OE1 3411 O OE2 . GLU B 47 ? 0.2877 0.2556 0.3635 0.0230 0.0816 0.0738 128 GLU B OE2 3412 N N . CYS B 48 ? 0.2128 0.1790 0.1390 0.0199 0.0191 0.0529 129 CYS B N 3413 C CA . CYS B 48 ? 0.1676 0.1424 0.1493 0.0253 0.0085 0.0411 129 CYS B CA 3414 C C . CYS B 48 ? 0.1491 0.0941 0.1252 -0.0017 -0.0010 0.0061 129 CYS B C 3415 O O . CYS B 48 ? 0.1831 0.1121 0.1252 -0.0195 -0.0011 -0.0126 129 CYS B O 3416 C CB . CYS B 48 ? 0.1901 0.1578 0.2159 0.0428 -0.0419 0.0244 129 CYS B CB 3417 S SG . CYS B 48 ? 0.2306 0.1895 0.2857 0.0245 -0.0430 0.0373 129 CYS B SG 3418 N N . ARG B 49 ? 0.1305 0.0999 0.1469 0.0114 0.0116 0.0258 130 ARG B N 3419 C CA . ARG B 49 ? 0.1037 0.0897 0.1301 0.0211 0.0072 0.0076 130 ARG B CA 3420 C C . ARG B 49 ? 0.1185 0.1190 0.1210 0.0167 -0.0021 0.0110 130 ARG B C 3421 O O . ARG B 49 ? 0.1288 0.1215 0.1454 0.0298 0.0023 -0.0003 130 ARG B O 3422 C CB . ARG B 49 ? 0.1008 0.1046 0.1526 0.0223 0.0388 -0.0151 130 ARG B CB 3423 C CG . ARG B 49 ? 0.0883 0.1071 0.1669 0.0148 0.0276 0.0228 130 ARG B CG 3424 C CD . ARG B 49 ? 0.1139 0.1261 0.1594 0.0256 -0.0115 0.0407 130 ARG B CD 3425 N NE . ARG B 49 ? 0.1338 0.1344 0.1638 0.0297 -0.0010 0.0224 130 ARG B NE 3426 C CZ . ARG B 49 ? 0.1234 0.1337 0.1520 0.0053 0.0303 0.0120 130 ARG B CZ 3427 N NH1 . ARG B 49 ? 0.1149 0.1134 0.1705 0.0073 0.0086 0.0175 130 ARG B NH1 3428 N NH2 . ARG B 49 ? 0.1120 0.1619 0.1374 -0.0138 0.0253 0.0286 130 ARG B NH2 3429 N N . THR B 50 ? 0.1356 0.1315 0.0950 0.0253 0.0210 0.0070 131 THR B N 3430 C CA . THR B 50 ? 0.1348 0.1214 0.0971 0.0220 0.0130 0.0159 131 THR B CA 3431 C C . THR B 50 ? 0.1157 0.1221 0.1350 0.0175 -0.0072 0.0002 131 THR B C 3432 O O . THR B 50 ? 0.1162 0.1227 0.1985 -0.0011 -0.0037 0.0166 131 THR B O 3433 C CB . THR B 50 ? 0.1564 0.1126 0.0988 0.0426 0.0236 0.0163 131 THR B CB 3434 O OG1 . THR B 50 ? 0.1659 0.1346 0.1968 0.0547 0.0153 -0.0009 131 THR B OG1 3435 C CG2 . THR B 50 ? 0.1848 0.1340 0.1189 0.0264 0.0452 -0.0117 131 THR B CG2 3436 N N . PHE B 51 ? 0.1314 0.0816 0.1191 0.0195 0.0099 0.0071 132 PHE B N 3437 C CA . PHE B 51 ? 0.1270 0.1058 0.1244 -0.0084 -0.0081 -0.0181 132 PHE B CA 3438 C C . PHE B 51 ? 0.1063 0.1301 0.0910 0.0054 -0.0141 0.0028 132 PHE B C 3439 O O . PHE B 51 ? 0.1134 0.1594 0.1626 0.0367 0.0097 0.0004 132 PHE B O 3440 C CB . PHE B 51 ? 0.1453 0.1350 0.1198 -0.0286 -0.0307 -0.0128 132 PHE B CB 3441 C CG . PHE B 51 ? 0.1456 0.1457 0.1083 -0.0345 -0.0086 0.0157 132 PHE B CG 3442 C CD1 . PHE B 51 ? 0.1432 0.1377 0.1192 -0.0381 0.0096 0.0373 132 PHE B CD1 3443 C CD2 . PHE B 51 ? 0.1407 0.1591 0.1257 -0.0368 -0.0264 0.0024 132 PHE B CD2 3444 C CE1 . PHE B 51 ? 0.1348 0.1521 0.1385 -0.0487 -0.0013 0.0180 132 PHE B CE1 3445 C CE2 . PHE B 51 ? 0.1540 0.1654 0.1364 -0.0531 -0.0193 0.0044 132 PHE B CE2 3446 C CZ . PHE B 51 ? 0.1536 0.1519 0.1266 -0.0487 -0.0233 0.0086 132 PHE B CZ 3447 N N . PHE B 52 ? 0.1115 0.1317 0.0841 -0.0167 -0.0012 0.0184 133 PHE B N 3448 C CA . PHE B 52 ? 0.1004 0.1273 0.0899 -0.0035 -0.0156 -0.0184 133 PHE B CA 3449 C C . PHE B 52 ? 0.1144 0.1237 0.1216 0.0135 -0.0019 -0.0114 133 PHE B C 3450 O O . PHE B 52 ? 0.0982 0.1209 0.1138 0.0344 0.0146 -0.0144 133 PHE B O 3451 C CB . PHE B 52 ? 0.1072 0.1249 0.1307 0.0029 -0.0161 -0.0332 133 PHE B CB 3452 C CG . PHE B 52 ? 0.1201 0.1283 0.1566 0.0125 -0.0177 -0.0485 133 PHE B CG 3453 C CD1 . PHE B 52 ? 0.1294 0.1342 0.1594 0.0015 0.0080 -0.0389 133 PHE B CD1 3454 C CD2 . PHE B 52 ? 0.1195 0.1356 0.1920 0.0266 -0.0179 -0.0740 133 PHE B CD2 3455 C CE1 . PHE B 52 ? 0.1325 0.1508 0.1798 0.0008 0.0059 -0.0402 133 PHE B CE1 3456 C CE2 . PHE B 52 ? 0.1412 0.1499 0.2025 0.0150 -0.0095 -0.0530 133 PHE B CE2 3457 C CZ . PHE B 52 ? 0.1254 0.1429 0.2016 -0.0017 0.0167 -0.0616 133 PHE B CZ 3458 N N . LEU B 53 ? 0.1163 0.1222 0.1063 -0.0060 -0.0059 0.0120 134 LEU B N 3459 C CA . LEU B 53 ? 0.1170 0.1165 0.1225 -0.0246 0.0026 0.0088 134 LEU B CA 3460 C C . LEU B 53 ? 0.1201 0.1235 0.1240 -0.0019 -0.0009 -0.0144 134 LEU B C 3461 O O . LEU B 53 ? 0.1505 0.1234 0.1287 -0.0007 0.0129 -0.0160 134 LEU B O 3462 C CB . LEU B 53 ? 0.1258 0.1006 0.1517 -0.0272 0.0251 -0.0009 134 LEU B CB 3463 C CG . LEU B 53 ? 0.1251 0.1059 0.1838 -0.0124 0.0207 -0.0076 134 LEU B CG 3464 C CD1 . LEU B 53 ? 0.1292 0.1399 0.2830 0.0043 0.0394 0.0159 134 LEU B CD1 3465 C CD2 . LEU B 53 ? 0.1382 0.1143 0.1570 -0.0112 0.0280 -0.0124 134 LEU B CD2 3466 N N . THR B 54 ? 0.1206 0.1588 0.1481 0.0163 -0.0463 -0.0251 135 THR B N 3467 C CA . THR B 54 ? 0.1671 0.1937 0.1456 0.0206 -0.0557 -0.0342 135 THR B CA 3468 C C . THR B 54 ? 0.2303 0.1966 0.1718 0.0035 -0.0068 0.0042 135 THR B C 3469 O O . THR B 54 ? 0.2547 0.1776 0.1741 0.0033 -0.0255 0.0039 135 THR B O 3470 C CB . THR B 54 ? 0.1699 0.2421 0.1558 -0.0001 -0.0461 -0.0128 135 THR B CB 3471 O OG1 . THR B 54 ? 0.1894 0.2361 0.2547 -0.0156 -0.0486 0.0101 135 THR B OG1 3472 C CG2 . THR B 54 ? 0.1592 0.2913 0.1495 -0.0249 -0.0195 -0.0500 135 THR B CG2 3473 N N . GLN B 55 ? 0.2268 0.2126 0.1565 -0.0053 -0.0158 -0.0127 136 GLN B N 3474 C CA . GLN B 55 ? 0.2818 0.2225 0.2124 -0.0317 -0.0073 0.0117 136 GLN B CA 3475 C C . GLN B 55 ? 0.2674 0.2073 0.1910 -0.0152 -0.0505 0.0313 136 GLN B C 3476 O O . GLN B 55 ? 0.2930 0.2139 0.2364 -0.0089 -0.0960 0.0667 136 GLN B O 3477 C CB . GLN B 55 ? 0.3278 0.2520 0.2067 -0.0539 0.0200 0.0225 136 GLN B CB 3478 C CG . GLN B 55 ? 0.3457 0.2428 0.2532 -0.0662 0.0240 0.0069 136 GLN B CG 3479 C CD . GLN B 55 ? 0.3624 0.2671 0.3433 -0.0689 0.0405 -0.0150 136 GLN B CD 3480 O OE1 . GLN B 55 ? 0.3884 0.3173 0.3991 -0.0429 0.0348 -0.0572 136 GLN B OE1 3481 N NE2 . GLN B 55 ? 0.3406 0.2261 0.3580 -0.0555 0.0677 0.0090 136 GLN B NE2 3482 N N . GLY B 56 ? 0.2331 0.2133 0.1152 0.0073 -0.0175 0.0041 137 GLY B N 3483 C CA . GLY B 56 ? 0.2255 0.2467 0.1396 0.0262 -0.0270 -0.0028 137 GLY B CA 3484 C C . GLY B 56 ? 0.2048 0.2618 0.1630 0.0455 -0.0291 0.0019 137 GLY B C 3485 O O . GLY B 56 ? 0.2202 0.3557 0.2101 0.0973 -0.0267 -0.0463 137 GLY B O 3486 N N . ALA B 57 ? 0.1808 0.1705 0.1345 0.0108 -0.0198 -0.0093 138 ALA B N 3487 C CA . ALA B 57 ? 0.1688 0.1433 0.1205 -0.0139 -0.0200 0.0207 138 ALA B CA 3488 C C . ALA B 57 ? 0.1456 0.1294 0.0967 -0.0038 -0.0395 0.0327 138 ALA B C 3489 O O . ALA B 57 ? 0.1451 0.1459 0.1573 -0.0041 -0.0422 0.0391 138 ALA B O 3490 C CB . ALA B 57 ? 0.1988 0.1433 0.1419 -0.0224 -0.0257 0.0012 138 ALA B CB 3491 N N . LEU B 58 ? 0.1493 0.1165 0.1311 -0.0278 -0.0133 -0.0052 139 LEU B N 3492 C CA . LEU B 58 ? 0.1207 0.1118 0.1318 -0.0117 -0.0046 0.0069 139 LEU B CA 3493 C C . LEU B 58 ? 0.1184 0.1172 0.1047 0.0044 0.0018 0.0364 139 LEU B C 3494 O O . LEU B 58 ? 0.1257 0.1181 0.1334 -0.0024 0.0017 0.0281 139 LEU B O 3495 C CB . LEU B 58 ? 0.1016 0.1314 0.1344 -0.0131 0.0083 0.0116 139 LEU B CB 3496 C CG . LEU B 58 ? 0.1127 0.1528 0.1153 -0.0174 -0.0059 0.0303 139 LEU B CG 3497 C CD1 . LEU B 58 ? 0.1155 0.1624 0.1609 -0.0131 -0.0265 0.0323 139 LEU B CD1 3498 C CD2 . LEU B 58 ? 0.1387 0.1770 0.1193 -0.0271 -0.0352 0.0435 139 LEU B CD2 3499 N N . LEU B 59 ? 0.1031 0.1326 0.1061 0.0315 0.0011 0.0017 140 LEU B N 3500 C CA . LEU B 59 ? 0.1142 0.1537 0.1126 0.0315 -0.0060 0.0014 140 LEU B CA 3501 C C . LEU B 59 ? 0.1204 0.1581 0.1179 0.0206 0.0016 0.0117 140 LEU B C 3502 O O . LEU B 59 ? 0.1142 0.1500 0.1108 0.0266 0.0198 -0.0059 140 LEU B O 3503 C CB . LEU B 59 ? 0.1262 0.1563 0.1158 0.0133 -0.0284 0.0412 140 LEU B CB 3504 C CG . LEU B 59 ? 0.1182 0.1766 0.1397 -0.0072 -0.0031 0.0648 140 LEU B CG 3505 C CD1 . LEU B 59 ? 0.1244 0.1642 0.1616 0.0117 -0.0066 0.0725 140 LEU B CD1 3506 C CD2 . LEU B 59 ? 0.1288 0.1884 0.1652 -0.0158 -0.0087 0.0658 140 LEU B CD2 3507 N N . ASN B 60 ? 0.1289 0.1497 0.0848 0.0118 -0.0001 0.0180 141 ASN B N 3508 C CA . ASN B 60 ? 0.1335 0.1257 0.1082 0.0069 -0.0077 -0.0024 141 ASN B CA 3509 C C . ASN B 60 ? 0.1190 0.1403 0.1203 0.0036 0.0249 -0.0103 141 ASN B C 3510 O O . ASN B 60 ? 0.1365 0.1460 0.1807 -0.0238 0.0157 -0.0081 141 ASN B O 3511 C CB . ASN B 60 ? 0.1563 0.1398 0.1377 0.0064 0.0121 -0.0099 141 ASN B CB 3512 C CG . ASN B 60 ? 0.1674 0.1490 0.1343 -0.0139 0.0216 0.0031 141 ASN B CG 3513 O OD1 . ASN B 60 ? 0.1752 0.1751 0.1493 -0.0063 0.0345 0.0057 141 ASN B OD1 3514 N ND2 . ASN B 60 ? 0.1758 0.1364 0.1228 -0.0189 0.0084 0.0103 141 ASN B ND2 3515 N N . ASP B 61 ? 0.1230 0.1162 0.0978 0.0182 0.0040 0.0084 142 ASP B N 3516 C CA . ASP B 61 ? 0.1148 0.1274 0.1109 0.0162 0.0184 0.0021 142 ASP B CA 3517 C C . ASP B 61 ? 0.1336 0.1414 0.0880 0.0157 -0.0071 0.0430 142 ASP B C 3518 O O . ASP B 61 ? 0.1245 0.1572 0.1525 -0.0053 -0.0048 0.0241 142 ASP B O 3519 C CB . ASP B 61 ? 0.1241 0.1234 0.1205 0.0182 0.0187 0.0126 142 ASP B CB 3520 C CG . ASP B 61 ? 0.1365 0.1343 0.1184 0.0089 0.0061 0.0212 142 ASP B CG 3521 O OD1 . ASP B 61 ? 0.1597 0.1625 0.1541 -0.0021 -0.0052 -0.0105 142 ASP B OD1 3522 O OD2 . ASP B 61 ? 0.1350 0.1284 0.1547 0.0122 0.0005 0.0213 142 ASP B OD2 3523 N N . LYS B 62 ? 0.1386 0.1305 0.0967 0.0187 0.0212 0.0417 143 LYS B N 3524 C CA . LYS B 62 ? 0.1431 0.1503 0.1141 0.0160 -0.0086 0.0423 143 LYS B CA 3525 C C . LYS B 62 ? 0.1572 0.1608 0.1115 0.0047 -0.0134 0.0567 143 LYS B C 3526 O O . LYS B 62 ? 0.1447 0.1729 0.1688 -0.0425 -0.0082 0.0549 143 LYS B O 3527 C CB . LYS B 62 ? 0.1428 0.1714 0.1422 0.0329 -0.0104 0.0477 143 LYS B CB 3528 C CG . LYS B 62 ? 0.1381 0.1663 0.1745 0.0412 -0.0176 0.0254 143 LYS B CG 3529 C CD . LYS B 62 ? 0.1545 0.1835 0.1854 0.0420 -0.0205 0.0126 143 LYS B CD 3530 C CE . LYS B 62 ? 0.1546 0.1960 0.1647 0.0305 -0.0435 -0.0023 143 LYS B CE 3531 N NZ . LYS B 62 ? 0.1740 0.2066 0.1812 0.0328 -0.0511 0.0110 143 LYS B NZ 3532 N N . HIS B 63 ? 0.1534 0.1566 0.0958 0.0016 -0.0269 0.0223 144 HIS B N 3533 C CA . HIS B 63 ? 0.1488 0.1432 0.0706 0.0046 -0.0087 0.0072 144 HIS B CA 3534 C C . HIS B 63 ? 0.1553 0.1565 0.1075 -0.0009 -0.0304 -0.0105 144 HIS B C 3535 O O . HIS B 63 ? 0.1724 0.1556 0.1440 -0.0295 -0.0385 0.0093 144 HIS B O 3536 C CB . HIS B 63 ? 0.1474 0.1585 0.0871 0.0107 -0.0040 0.0097 144 HIS B CB 3537 C CG . HIS B 63 ? 0.1350 0.1460 0.1388 -0.0017 -0.0088 0.0185 144 HIS B CG 3538 N ND1 . HIS B 63 ? 0.1369 0.1555 0.1533 0.0027 -0.0042 0.0336 144 HIS B ND1 3539 C CD2 . HIS B 63 ? 0.1336 0.1503 0.1583 0.0002 -0.0193 -0.0101 144 HIS B CD2 3540 C CE1 . HIS B 63 ? 0.1412 0.1495 0.1430 0.0045 0.0042 0.0260 144 HIS B CE1 3541 N NE2 . HIS B 63 ? 0.1360 0.1506 0.1547 0.0028 -0.0001 -0.0112 144 HIS B NE2 3542 N N . SER B 64 ? 0.1323 0.1532 0.0937 0.0285 -0.0070 0.0083 145 SER B N 3543 C CA . SER B 64 ? 0.1541 0.1717 0.1407 0.0189 -0.0140 0.0368 145 SER B CA 3544 C C . SER B 64 ? 0.1595 0.1870 0.1400 0.0122 0.0020 0.0448 145 SER B C 3545 O O . SER B 64 ? 0.1367 0.1979 0.1594 0.0035 -0.0045 0.0345 145 SER B O 3546 C CB . SER B 64 ? 0.1632 0.1824 0.1288 0.0230 -0.0049 0.0375 145 SER B CB 3547 O OG . SER B 64 ? 0.1732 0.1864 0.1666 0.0226 0.0219 0.0463 145 SER B OG 3548 N N . ASN B 65 ? 0.1889 0.1949 0.1109 -0.0050 0.0170 0.0568 146 ASN B N 3549 C CA . ASN B 65 ? 0.1914 0.2071 0.0976 -0.0236 -0.0132 0.0659 146 ASN B CA 3550 C C . ASN B 65 ? 0.2209 0.2143 0.1482 -0.0373 -0.0069 0.0244 146 ASN B C 3551 O O . ASN B 65 ? 0.2379 0.2120 0.1958 -0.0178 0.0184 0.0093 146 ASN B O 3552 C CB . ASN B 65 ? 0.2068 0.2251 0.0961 -0.0114 -0.0247 0.0908 146 ASN B CB 3553 C CG . ASN B 65 ? 0.2173 0.2389 0.1381 -0.0079 -0.0053 0.0657 146 ASN B CG 3554 O OD1 . ASN B 65 ? 0.2107 0.2107 0.1588 0.0185 0.0287 0.0378 146 ASN B OD1 3555 N ND2 . ASN B 65 ? 0.2615 0.2892 0.1368 -0.0347 -0.0218 0.0977 146 ASN B ND2 3556 N N . ASN B 66 ? 0.2125 0.2393 0.1852 -0.0800 -0.0127 0.0309 147 ASN B N 3557 C CA . ASN B 66 ? 0.2506 0.3002 0.2814 -0.0714 -0.0020 0.0340 147 ASN B CA 3558 C C . ASN B 66 ? 0.3005 0.3163 0.3312 -0.0678 0.0086 0.0367 147 ASN B C 3559 O O . ASN B 66 ? 0.3285 0.3363 0.4178 -0.0453 0.0022 0.0450 147 ASN B O 3560 C CB . ASN B 66 ? 0.2684 0.3383 0.3464 -0.0695 -0.0170 0.0252 147 ASN B CB 3561 C CG . ASN B 66 ? 0.2811 0.3693 0.3970 -0.0869 0.0210 0.0245 147 ASN B CG 3562 O OD1 . ASN B 66 ? 0.2926 0.3973 0.4150 -0.0737 0.0327 0.0188 147 ASN B OD1 3563 N ND2 . ASN B 66 ? 0.2825 0.3680 0.4216 -0.1004 0.0327 0.0409 147 ASN B ND2 3564 N N . THR B 67 ? 0.3562 0.3290 0.3205 -0.0395 0.0007 0.0474 148 THR B N 3565 C CA . THR B 67 ? 0.4037 0.3476 0.3444 -0.0414 0.0036 0.0299 148 THR B CA 3566 C C . THR B 67 ? 0.4365 0.3572 0.3562 -0.0270 -0.0117 0.0340 148 THR B C 3567 O O . THR B 67 ? 0.4615 0.3493 0.3795 -0.0102 -0.0173 0.0524 148 THR B O 3568 C CB . THR B 67 ? 0.4181 0.3661 0.3141 -0.0333 -0.0048 0.0127 148 THR B CB 3569 O OG1 . THR B 67 ? 0.4364 0.3780 0.3500 -0.0321 -0.0084 0.0195 148 THR B OG1 3570 C CG2 . THR B 67 ? 0.4205 0.3598 0.2546 -0.0327 -0.0139 0.0057 148 THR B CG2 3571 N N . VAL B 68 ? 0.4306 0.3746 0.3610 -0.0299 -0.0224 0.0187 149 VAL B N 3572 C CA . VAL B 68 ? 0.4285 0.4019 0.3829 -0.0249 -0.0239 0.0072 149 VAL B CA 3573 C C . VAL B 68 ? 0.4226 0.3868 0.3442 -0.0206 -0.0116 -0.0120 149 VAL B C 3574 O O . VAL B 68 ? 0.4251 0.3849 0.3322 -0.0128 0.0127 -0.0312 149 VAL B O 3575 C CB . VAL B 68 ? 0.4379 0.4342 0.4389 -0.0188 -0.0288 0.0272 149 VAL B CB 3576 C CG1 . VAL B 68 ? 0.4438 0.4542 0.4626 -0.0187 -0.0271 0.0134 149 VAL B CG1 3577 C CG2 . VAL B 68 ? 0.4426 0.4311 0.4592 -0.0160 -0.0330 0.0373 149 VAL B CG2 3578 N N . LYS B 69 ? 0.4129 0.3700 0.3198 -0.0165 -0.0120 0.0036 150 LYS B N 3579 C CA . LYS B 69 ? 0.4040 0.3651 0.2998 -0.0086 -0.0140 -0.0102 150 LYS B CA 3580 C C . LYS B 69 ? 0.3586 0.3337 0.2751 0.0103 0.0052 -0.0324 150 LYS B C 3581 O O . LYS B 69 ? 0.3583 0.3033 0.2606 0.0158 -0.0081 -0.0448 150 LYS B O 3582 C CB . LYS B 69 ? 0.4392 0.3851 0.3524 0.0079 -0.0152 0.0199 150 LYS B CB 3583 C CG . LYS B 69 ? 0.4730 0.4159 0.4509 0.0258 -0.0267 0.0387 150 LYS B CG 3584 C CD . LYS B 69 ? 0.5026 0.4596 0.5408 0.0356 -0.0334 0.0176 150 LYS B CD 3585 C CE . LYS B 69 ? 0.5255 0.4860 0.6004 0.0456 -0.0276 -0.0133 150 LYS B CE 3586 N NZ . LYS B 69 ? 0.5353 0.4893 0.6329 0.0515 -0.0195 -0.0385 150 LYS B NZ 3587 N N . ASP B 70 ? 0.3118 0.3302 0.2269 0.0185 0.0338 -0.0389 151 ASP B N 3588 C CA . ASP B 70 ? 0.2913 0.3308 0.2834 0.0121 0.0324 -0.0144 151 ASP B CA 3589 C C . ASP B 70 ? 0.2539 0.2790 0.2413 -0.0047 0.0220 0.0102 151 ASP B C 3590 O O . ASP B 70 ? 0.2395 0.2795 0.2831 -0.0059 0.0550 0.0226 151 ASP B O 3591 C CB . ASP B 70 ? 0.3230 0.3873 0.3737 0.0159 0.0321 -0.0611 151 ASP B CB 3592 C CG . ASP B 70 ? 0.3597 0.4440 0.4865 0.0162 0.0266 -0.0959 151 ASP B CG 3593 O OD1 . ASP B 70 ? 0.3833 0.4719 0.5146 0.0234 0.0270 -0.1138 151 ASP B OD1 3594 O OD2 . ASP B 70 ? 0.3672 0.4647 0.5516 0.0094 0.0339 -0.0973 151 ASP B OD2 3595 N N . ARG B 71 ? 0.2154 0.2550 0.1729 -0.0239 0.0005 0.0089 152 ARG B N 3596 C CA . ARG B 71 ? 0.1994 0.2331 0.1639 -0.0255 0.0038 0.0434 152 ARG B CA 3597 C C . ARG B 71 ? 0.2107 0.2345 0.2211 -0.0304 -0.0264 0.0655 152 ARG B C 3598 O O . ARG B 71 ? 0.2349 0.2515 0.3616 -0.0509 -0.0266 0.0634 152 ARG B O 3599 C CB . ARG B 71 ? 0.1983 0.2341 0.1296 -0.0158 -0.0110 0.0561 152 ARG B CB 3600 C CG . ARG B 71 ? 0.2089 0.2262 0.1789 -0.0139 -0.0195 0.0690 152 ARG B CG 3601 C CD . ARG B 71 ? 0.2177 0.2062 0.1723 -0.0198 -0.0090 0.0227 152 ARG B CD 3602 N NE . ARG B 71 ? 0.2240 0.2121 0.1523 -0.0281 0.0239 0.0312 152 ARG B NE 3603 C CZ . ARG B 71 ? 0.2450 0.2381 0.1960 0.0006 0.0488 0.0255 152 ARG B CZ 3604 N NH1 . ARG B 71 ? 0.2697 0.2366 0.2381 0.0284 0.0614 0.0239 152 ARG B NH1 3605 N NH2 . ARG B 71 ? 0.2655 0.2778 0.2042 0.0028 0.0507 0.0216 152 ARG B NH2 3606 N N . SER B 72 ? 0.1569 0.2333 0.1525 -0.0222 0.0091 0.0545 153 SER B N 3607 C CA . SER B 72 ? 0.1567 0.2211 0.1368 -0.0071 -0.0025 0.0329 153 SER B CA 3608 C C . SER B 72 ? 0.1471 0.2316 0.1110 -0.0006 -0.0108 0.0079 153 SER B C 3609 O O . SER B 72 ? 0.1421 0.2674 0.1201 -0.0074 -0.0164 0.0266 153 SER B O 3610 C CB . SER B 72 ? 0.1885 0.2122 0.1758 -0.0034 0.0344 0.0354 153 SER B CB 3611 O OG . SER B 72 ? 0.1839 0.2204 0.2262 -0.0014 0.0499 0.0112 153 SER B OG 3612 N N . PRO B 73 ? 0.1533 0.2255 0.1359 0.0186 0.0035 0.0306 154 PRO B N 3613 C CA . PRO B 73 ? 0.1460 0.2193 0.1406 0.0389 0.0476 0.0134 154 PRO B CA 3614 C C . PRO B 73 ? 0.1364 0.2220 0.1463 0.0234 0.0260 -0.0152 154 PRO B C 3615 O O . PRO B 73 ? 0.1478 0.2582 0.1870 0.0015 0.0625 -0.0658 154 PRO B O 3616 C CB . PRO B 73 ? 0.1725 0.2216 0.2109 0.0447 -0.0032 0.0317 154 PRO B CB 3617 C CG . PRO B 73 ? 0.1788 0.2316 0.2479 0.0559 0.0165 0.0347 154 PRO B CG 3618 C CD . PRO B 73 ? 0.1692 0.2433 0.2100 0.0423 -0.0262 0.0612 154 PRO B CD 3619 N N . TYR B 74 ? 0.1289 0.2120 0.1396 0.0161 -0.0062 0.0223 155 TYR B N 3620 C CA . TYR B 74 ? 0.1386 0.2071 0.1099 0.0135 -0.0324 0.0223 155 TYR B CA 3621 C C . TYR B 74 ? 0.1248 0.2359 0.1330 -0.0081 -0.0140 0.0522 155 TYR B C 3622 O O . TYR B 74 ? 0.1316 0.2445 0.1835 -0.0323 -0.0248 0.0918 155 TYR B O 3623 C CB . TYR B 74 ? 0.1450 0.1814 0.0910 0.0314 -0.0147 -0.0121 155 TYR B CB 3624 C CG . TYR B 74 ? 0.1473 0.1642 0.0792 0.0305 -0.0236 0.0373 155 TYR B CG 3625 C CD1 . TYR B 74 ? 0.1543 0.1441 0.1342 0.0118 -0.0168 0.0128 155 TYR B CD1 3626 C CD2 . TYR B 74 ? 0.1452 0.1615 0.0985 0.0460 -0.0019 0.0221 155 TYR B CD2 3627 C CE1 . TYR B 74 ? 0.1579 0.1557 0.1352 -0.0047 -0.0094 0.0321 155 TYR B CE1 3628 C CE2 . TYR B 74 ? 0.1595 0.1609 0.1249 0.0266 0.0034 0.0507 155 TYR B CE2 3629 C CZ . TYR B 74 ? 0.1756 0.1682 0.1452 0.0124 0.0091 0.0452 155 TYR B CZ 3630 O OH . TYR B 74 ? 0.1850 0.1941 0.1829 0.0163 -0.0013 0.0615 155 TYR B OH 3631 N N . ARG B 75 ? 0.1157 0.2367 0.1194 -0.0004 -0.0277 0.0073 156 ARG B N 3632 C CA . ARG B 75 ? 0.1435 0.2245 0.1132 0.0151 0.0093 0.0060 156 ARG B CA 3633 C C . ARG B 75 ? 0.1290 0.1946 0.0881 0.0250 0.0061 0.0066 156 ARG B C 3634 O O . ARG B 75 ? 0.1350 0.1612 0.1013 0.0507 0.0147 0.0031 156 ARG B O 3635 C CB . ARG B 75 ? 0.1629 0.2023 0.1603 0.0376 0.0506 -0.0183 156 ARG B CB 3636 C CG . ARG B 75 ? 0.2304 0.1991 0.1938 0.0374 0.0187 -0.0442 156 ARG B CG 3637 C CD . ARG B 75 ? 0.2722 0.1908 0.2297 0.0246 0.0544 0.0062 156 ARG B CD 3638 N NE . ARG B 75 ? 0.2782 0.1875 0.2706 0.0337 0.0950 0.0211 156 ARG B NE 3639 C CZ . ARG B 75 ? 0.3154 0.1895 0.3013 0.0344 0.0814 0.0204 156 ARG B CZ 3640 N NH1 . ARG B 75 ? 0.3389 0.1972 0.3247 0.0159 0.0722 0.0162 156 ARG B NH1 3641 N NH2 . ARG B 75 ? 0.3246 0.2131 0.2454 0.0504 0.0912 0.0432 156 ARG B NH2 3642 N N . ALA B 76 ? 0.1223 0.1985 0.0818 0.0193 0.0007 0.0411 157 ALA B N 3643 C CA . ALA B 76 ? 0.1051 0.1730 0.1509 0.0143 -0.0082 0.0343 157 ALA B CA 3644 C C . ALA B 76 ? 0.1158 0.1551 0.1584 0.0119 -0.0272 -0.0163 157 ALA B C 3645 O O . ALA B 76 ? 0.1316 0.1484 0.1560 0.0342 -0.0204 -0.0313 157 ALA B O 3646 C CB . ALA B 76 ? 0.1013 0.1797 0.2167 0.0123 -0.0112 0.0204 157 ALA B CB 3647 N N . LEU B 77 ? 0.1116 0.1329 0.1200 -0.0119 -0.0386 -0.0079 158 LEU B N 3648 C CA . LEU B 77 ? 0.0949 0.1252 0.0909 -0.0236 -0.0212 -0.0167 158 LEU B CA 3649 C C . LEU B 77 ? 0.1084 0.1148 0.1133 -0.0340 0.0011 -0.0128 158 LEU B C 3650 O O . LEU B 77 ? 0.1083 0.1143 0.1333 -0.0382 0.0138 0.0029 158 LEU B O 3651 C CB . LEU B 77 ? 0.1008 0.1244 0.0849 -0.0031 -0.0307 0.0108 158 LEU B CB 3652 C CG . LEU B 77 ? 0.1083 0.1304 0.0777 0.0097 -0.0089 -0.0248 158 LEU B CG 3653 C CD1 . LEU B 77 ? 0.1056 0.1289 0.1446 0.0097 0.0218 -0.0174 158 LEU B CD1 3654 C CD2 . LEU B 77 ? 0.1174 0.1423 0.1043 -0.0302 -0.0058 -0.0261 158 LEU B CD2 3655 N N . MET B 78 ? 0.1030 0.0697 0.1163 -0.0257 -0.0021 -0.0191 159 MET B N 3656 C CA . MET B 78 ? 0.1071 0.0797 0.0919 -0.0121 -0.0307 0.0171 159 MET B CA 3657 C C . MET B 78 ? 0.1095 0.0886 0.1073 -0.0010 -0.0229 0.0057 159 MET B C 3658 O O . MET B 78 ? 0.1071 0.1218 0.1304 -0.0168 -0.0219 -0.0018 159 MET B O 3659 C CB . MET B 78 ? 0.1237 0.0892 0.1260 -0.0117 -0.0290 0.0279 159 MET B CB 3660 C CG . MET B 78 ? 0.1335 0.1000 0.1245 -0.0120 -0.0409 0.0138 159 MET B CG 3661 S SD . MET B 78 ? 0.1458 0.1450 0.1944 -0.0086 -0.0326 0.0180 159 MET B SD 3662 C CE . MET B 78 ? 0.1658 0.1473 0.2331 0.0013 -0.0555 0.0438 159 MET B CE 3663 N N . SER B 79 ? 0.1063 0.0851 0.1088 0.0120 0.0025 0.0153 160 SER B N 3664 C CA . SER B 79 ? 0.1298 0.0978 0.1123 0.0008 -0.0137 0.0002 160 SER B CA 3665 C C . SER B 79 ? 0.1202 0.1092 0.1336 -0.0267 -0.0068 -0.0114 160 SER B C 3666 O O . SER B 79 ? 0.1198 0.1160 0.1268 -0.0146 -0.0062 -0.0049 160 SER B O 3667 C CB . SER B 79 ? 0.1240 0.1155 0.1174 0.0146 0.0006 -0.0077 160 SER B CB 3668 O OG . SER B 79 ? 0.1244 0.1255 0.1280 -0.0135 0.0086 -0.0134 160 SER B OG 3669 N N . VAL B 80 ? 0.1219 0.1047 0.1343 -0.0137 -0.0057 -0.0151 161 VAL B N 3670 C CA . VAL B 80 ? 0.1108 0.1083 0.1163 -0.0144 -0.0088 -0.0309 161 VAL B CA 3671 C C . VAL B 80 ? 0.1093 0.1240 0.1224 -0.0032 0.0096 -0.0107 161 VAL B C 3672 O O . VAL B 80 ? 0.1190 0.1163 0.1328 0.0011 -0.0022 0.0042 161 VAL B O 3673 C CB . VAL B 80 ? 0.0934 0.1443 0.0954 0.0021 -0.0148 -0.0162 161 VAL B CB 3674 C CG1 . VAL B 80 ? 0.1199 0.1347 0.1270 0.0155 -0.0728 -0.0283 161 VAL B CG1 3675 C CG2 . VAL B 80 ? 0.1003 0.1568 0.1433 0.0004 0.0361 -0.0172 161 VAL B CG2 3676 N N . PRO B 81 ? 0.0998 0.1195 0.1487 -0.0106 0.0047 0.0056 162 PRO B N 3677 C CA . PRO B 81 ? 0.1076 0.1213 0.1583 0.0016 -0.0029 0.0054 162 PRO B CA 3678 C C . PRO B 81 ? 0.1291 0.1265 0.1409 0.0140 -0.0104 0.0137 162 PRO B C 3679 O O . PRO B 81 ? 0.1447 0.1359 0.1472 0.0348 -0.0142 -0.0196 162 PRO B O 3680 C CB . PRO B 81 ? 0.1082 0.1278 0.2175 -0.0160 0.0163 0.0008 162 PRO B CB 3681 C CG . PRO B 81 ? 0.1254 0.1348 0.2302 -0.0026 -0.0031 0.0336 162 PRO B CG 3682 C CD . PRO B 81 ? 0.1016 0.1321 0.2198 -0.0417 0.0051 0.0276 162 PRO B CD 3683 N N . LEU B 82 ? 0.1377 0.1231 0.1344 0.0138 0.0011 0.0068 163 LEU B N 3684 C CA . LEU B 82 ? 0.1222 0.1318 0.1209 0.0254 -0.0117 -0.0244 163 LEU B CA 3685 C C . LEU B 82 ? 0.1226 0.1179 0.1282 0.0110 0.0186 -0.0002 163 LEU B C 3686 O O . LEU B 82 ? 0.1537 0.1067 0.1882 0.0179 0.0356 0.0011 163 LEU B O 3687 C CB . LEU B 82 ? 0.1489 0.1656 0.1346 0.0316 -0.0256 -0.0219 163 LEU B CB 3688 C CG . LEU B 82 ? 0.1572 0.1763 0.1253 0.0294 0.0158 0.0020 163 LEU B CG 3689 C CD1 . LEU B 82 ? 0.1719 0.1927 0.1890 0.0023 0.0278 -0.0266 163 LEU B CD1 3690 C CD2 . LEU B 82 ? 0.1793 0.2075 0.1862 0.0315 -0.0035 0.0303 163 LEU B CD2 3691 N N . GLY B 83 ? 0.1353 0.1298 0.1192 0.0219 0.0039 -0.0284 164 GLY B N 3692 C CA . GLY B 83 ? 0.1404 0.1179 0.1028 0.0285 -0.0117 -0.0202 164 GLY B CA 3693 C C . GLY B 83 ? 0.1170 0.1082 0.1513 0.0331 -0.0018 -0.0020 164 GLY B C 3694 O O . GLY B 83 ? 0.1525 0.1221 0.1535 0.0092 -0.0094 -0.0008 164 GLY B O 3695 N N . SER B 84 A 0.1084 0.0921 0.1581 0.0266 -0.0176 -0.0015 164 SER B N 3696 C CA . SER B 84 A 0.1003 0.1040 0.1290 0.0091 -0.0174 0.0049 164 SER B CA 3697 C C . SER B 84 A 0.1029 0.1224 0.1244 -0.0018 -0.0127 -0.0031 164 SER B C 3698 O O . SER B 84 A 0.1206 0.1135 0.1788 -0.0176 0.0107 -0.0136 164 SER B O 3699 C CB . SER B 84 A 0.1084 0.1182 0.1434 0.0105 0.0118 -0.0010 164 SER B CB 3700 O OG . SER B 84 A 0.1264 0.1349 0.1648 0.0314 0.0169 0.0281 164 SER B OG 3701 N N . SER B 85 ? 0.1106 0.1340 0.1077 0.0194 -0.0222 0.0123 165 SER B N 3702 C CA . SER B 85 ? 0.1243 0.1436 0.0865 -0.0130 -0.0008 0.0107 165 SER B CA 3703 C C . SER B 85 ? 0.1149 0.1275 0.1440 -0.0212 0.0092 0.0096 165 SER B C 3704 O O . SER B 85 ? 0.1077 0.1159 0.1334 -0.0234 -0.0052 0.0205 165 SER B O 3705 C CB . SER B 85 ? 0.1114 0.1756 0.1206 -0.0196 -0.0212 -0.0179 165 SER B CB 3706 O OG . SER B 85 ? 0.1376 0.1481 0.1333 -0.0073 0.0039 -0.0127 165 SER B OG 3707 N N . PRO B 86 ? 0.1146 0.0950 0.1218 -0.0135 0.0056 -0.0097 166 PRO B N 3708 C CA . PRO B 86 ? 0.1016 0.0914 0.1541 0.0019 0.0020 0.0039 166 PRO B CA 3709 C C . PRO B 86 ? 0.1109 0.0988 0.1208 -0.0062 0.0160 0.0017 166 PRO B C 3710 O O . PRO B 86 ? 0.1300 0.1144 0.1408 -0.0152 0.0054 -0.0070 166 PRO B O 3711 C CB . PRO B 86 ? 0.1238 0.1099 0.1360 0.0096 0.0476 0.0177 166 PRO B CB 3712 C CG . PRO B 86 ? 0.1080 0.0957 0.1494 0.0254 0.0406 -0.0015 166 PRO B CG 3713 C CD . PRO B 86 ? 0.1144 0.0944 0.1393 -0.0050 0.0311 0.0091 166 PRO B CD 3714 N N . ASN B 87 ? 0.0905 0.1028 0.1248 -0.0196 -0.0030 -0.0201 167 ASN B N 3715 C CA . ASN B 87 ? 0.0928 0.1022 0.1394 -0.0167 -0.0134 -0.0421 167 ASN B CA 3716 C C . ASN B 87 ? 0.1084 0.1047 0.0881 -0.0089 -0.0070 -0.0283 167 ASN B C 3717 O O . ASN B 87 ? 0.1204 0.1148 0.1029 -0.0132 -0.0102 -0.0130 167 ASN B O 3718 C CB . ASN B 87 ? 0.1289 0.1011 0.1640 -0.0289 0.0146 -0.0176 167 ASN B CB 3719 C CG . ASN B 87 ? 0.1380 0.1028 0.1541 -0.0114 0.0010 0.0022 167 ASN B CG 3720 O OD1 . ASN B 87 ? 0.1352 0.1140 0.1412 -0.0060 0.0024 -0.0108 167 ASN B OD1 3721 N ND2 . ASN B 87 ? 0.1208 0.0736 0.1684 -0.0081 -0.0032 -0.0044 167 ASN B ND2 3722 N N . ALA B 88 ? 0.1061 0.1173 0.1055 0.0193 -0.0001 0.0042 168 ALA B N 3723 C CA . ALA B 88 ? 0.1121 0.1355 0.0968 0.0201 -0.0048 0.0111 168 ALA B CA 3724 C C . ALA B 88 ? 0.1181 0.1165 0.0777 -0.0123 0.0052 0.0000 168 ALA B C 3725 O O . ALA B 88 ? 0.1301 0.1284 0.1455 -0.0004 0.0182 -0.0325 168 ALA B O 3726 C CB . ALA B 88 ? 0.1302 0.1616 0.0944 0.0118 -0.0166 0.0190 168 ALA B CB 3727 N N . TYR B 89 ? 0.1108 0.1237 0.1057 -0.0105 -0.0009 0.0238 169 TYR B N 3728 C CA . TYR B 89 ? 0.1137 0.1406 0.0871 -0.0054 0.0130 0.0124 169 TYR B CA 3729 C C . TYR B 89 ? 0.1286 0.1853 0.0740 -0.0013 0.0210 0.0309 169 TYR B C 3730 O O . TYR B 89 ? 0.1402 0.2680 0.0921 0.0329 0.0259 0.0284 169 TYR B O 3731 C CB . TYR B 89 ? 0.1063 0.1496 0.1013 0.0034 -0.0198 -0.0106 169 TYR B CB 3732 C CG . TYR B 89 ? 0.0995 0.1261 0.1110 0.0136 -0.0066 0.0004 169 TYR B CG 3733 C CD1 . TYR B 89 ? 0.0915 0.1253 0.1231 0.0155 0.0175 0.0083 169 TYR B CD1 3734 C CD2 . TYR B 89 ? 0.0985 0.1449 0.0904 -0.0040 0.0033 0.0003 169 TYR B CD2 3735 C CE1 . TYR B 89 ? 0.1009 0.1316 0.0826 0.0097 0.0167 -0.0132 169 TYR B CE1 3736 C CE2 . TYR B 89 ? 0.0892 0.1254 0.1206 -0.0114 0.0124 0.0085 169 TYR B CE2 3737 C CZ . TYR B 89 ? 0.0917 0.1258 0.1221 0.0069 0.0092 -0.0075 169 TYR B CZ 3738 O OH . TYR B 89 ? 0.1068 0.1331 0.1618 0.0133 -0.0073 0.0022 169 TYR B OH 3739 N N . GLN B 90 ? 0.1257 0.1433 0.0909 -0.0095 -0.0096 0.0195 170 GLN B N 3740 C CA . GLN B 90 ? 0.1247 0.1371 0.1058 -0.0177 0.0110 0.0145 170 GLN B CA 3741 C C . GLN B 90 ? 0.1457 0.1418 0.0919 -0.0250 0.0002 0.0053 170 GLN B C 3742 O O . GLN B 90 ? 0.1773 0.1850 0.1122 -0.0464 -0.0149 0.0059 170 GLN B O 3743 C CB . GLN B 90 ? 0.1303 0.1301 0.1280 -0.0036 -0.0034 -0.0003 170 GLN B CB 3744 C CG . GLN B 90 ? 0.1511 0.1208 0.1454 0.0038 0.0144 0.0287 170 GLN B CG 3745 C CD . GLN B 90 ? 0.1849 0.1480 0.1852 -0.0030 0.0346 0.0727 170 GLN B CD 3746 O OE1 . GLN B 90 ? 0.2049 0.1507 0.1817 0.0075 0.0389 0.0614 170 GLN B OE1 3747 N NE2 . GLN B 90 ? 0.2102 0.1839 0.2727 0.0098 0.0341 0.0970 170 GLN B NE2 3748 N N . ALA B 91 ? 0.1449 0.1174 0.1295 -0.0230 -0.0175 -0.0172 171 ALA B N 3749 C CA . ALA B 91 ? 0.1253 0.1303 0.1262 -0.0342 -0.0020 -0.0155 171 ALA B CA 3750 C C . ALA B 91 ? 0.1017 0.1276 0.1292 -0.0128 -0.0011 -0.0274 171 ALA B C 3751 O O . ALA B 91 ? 0.0989 0.1594 0.1648 -0.0156 -0.0067 -0.0496 171 ALA B O 3752 C CB . ALA B 91 ? 0.1462 0.1374 0.1327 -0.0550 0.0131 0.0026 171 ALA B CB 3753 N N . LYS B 92 ? 0.1248 0.1088 0.1183 -0.0132 0.0205 -0.0255 172 LYS B N 3754 C CA . LYS B 92 ? 0.1305 0.1162 0.1026 -0.0159 0.0163 -0.0037 172 LYS B CA 3755 C C . LYS B 92 ? 0.1232 0.1082 0.1299 0.0033 0.0076 -0.0044 172 LYS B C 3756 O O . LYS B 92 ? 0.1140 0.1018 0.1660 0.0054 0.0064 -0.0193 172 LYS B O 3757 C CB . LYS B 92 ? 0.1896 0.1694 0.0691 -0.0154 0.0095 -0.0048 172 LYS B CB 3758 C CG . LYS B 92 ? 0.2481 0.1874 0.0896 -0.0347 -0.0135 -0.0140 172 LYS B CG 3759 C CD . LYS B 92 ? 0.3121 0.2260 0.1115 -0.0558 -0.0315 -0.0442 172 LYS B CD 3760 C CE . LYS B 92 ? 0.3658 0.2785 0.1474 -0.0406 -0.0468 -0.0348 172 LYS B CE 3761 N NZ . LYS B 92 ? 0.3963 0.3095 0.2394 -0.0470 -0.0247 -0.0114 172 LYS B NZ 3762 N N . PHE B 93 ? 0.1122 0.1040 0.1175 0.0180 0.0043 -0.0016 173 PHE B N 3763 C CA . PHE B 93 ? 0.1078 0.1050 0.1282 0.0222 -0.0355 0.0090 173 PHE B CA 3764 C C . PHE B 93 ? 0.1143 0.1254 0.0942 -0.0022 0.0082 -0.0326 173 PHE B C 3765 O O . PHE B 93 ? 0.1497 0.1631 0.1082 -0.0244 0.0255 -0.0392 173 PHE B O 3766 C CB . PHE B 93 ? 0.0995 0.1120 0.1852 0.0083 -0.0166 0.0142 173 PHE B CB 3767 C CG . PHE B 93 ? 0.1194 0.0981 0.1839 0.0171 -0.0229 -0.0209 173 PHE B CG 3768 C CD1 . PHE B 93 ? 0.1243 0.1110 0.2012 0.0167 -0.0349 -0.0128 173 PHE B CD1 3769 C CD2 . PHE B 93 ? 0.1248 0.1055 0.1901 0.0328 -0.0468 -0.0196 173 PHE B CD2 3770 C CE1 . PHE B 93 ? 0.1218 0.0915 0.1918 0.0126 -0.0087 0.0073 173 PHE B CE1 3771 C CE2 . PHE B 93 ? 0.1241 0.1067 0.1990 0.0339 -0.0328 -0.0019 173 PHE B CE2 3772 C CZ . PHE B 93 ? 0.1309 0.1022 0.2012 0.0059 -0.0225 0.0029 173 PHE B CZ 3773 N N . GLU B 94 ? 0.1022 0.1053 0.1160 -0.0285 -0.0247 -0.0109 174 GLU B N 3774 C CA . GLU B 94 ? 0.1111 0.1173 0.1017 -0.0087 -0.0232 -0.0164 174 GLU B CA 3775 C C . GLU B 94 ? 0.1194 0.1275 0.0904 -0.0174 0.0089 0.0069 174 GLU B C 3776 O O . GLU B 94 ? 0.1549 0.1259 0.1127 -0.0258 0.0181 -0.0315 174 GLU B O 3777 C CB . GLU B 94 ? 0.1157 0.1210 0.1565 -0.0072 -0.0264 0.0022 174 GLU B CB 3778 C CG . GLU B 94 ? 0.1457 0.1278 0.1315 -0.0080 0.0008 0.0209 174 GLU B CG 3779 C CD . GLU B 94 ? 0.1805 0.1490 0.1766 -0.0060 -0.0068 -0.0044 174 GLU B CD 3780 O OE1 . GLU B 94 ? 0.2131 0.1789 0.1730 -0.0009 -0.0118 -0.0199 174 GLU B OE1 3781 O OE2 . GLU B 94 ? 0.1488 0.1454 0.1871 -0.0192 0.0352 -0.0081 174 GLU B OE2 3782 N N . SER B 95 ? 0.1286 0.1084 0.1100 -0.0353 0.0068 0.0133 175 SER B N 3783 C CA . SER B 95 ? 0.1338 0.1106 0.1312 -0.0201 -0.0334 0.0174 175 SER B CA 3784 C C . SER B 95 ? 0.1325 0.0973 0.1232 -0.0023 -0.0211 0.0166 175 SER B C 3785 O O . SER B 95 ? 0.1389 0.1112 0.1211 0.0225 -0.0067 -0.0209 175 SER B O 3786 C CB . SER B 95 ? 0.1279 0.0929 0.1669 -0.0222 -0.0363 0.0198 175 SER B CB 3787 O OG . SER B 95 ? 0.1336 0.0899 0.1527 -0.0204 -0.0263 0.0195 175 SER B OG 3788 N N . VAL B 96 ? 0.1255 0.1079 0.1293 0.0103 -0.0171 0.0337 176 VAL B N 3789 C CA . VAL B 96 ? 0.1134 0.1028 0.1166 0.0135 0.0234 0.0353 176 VAL B CA 3790 C C . VAL B 96 ? 0.1184 0.1236 0.1290 0.0069 0.0342 -0.0136 176 VAL B C 3791 O O . VAL B 96 ? 0.1233 0.1647 0.1243 0.0068 0.0113 -0.0260 176 VAL B O 3792 C CB . VAL B 96 ? 0.1091 0.1158 0.1273 0.0150 0.0257 0.0404 176 VAL B CB 3793 C CG1 . VAL B 96 ? 0.1381 0.1247 0.1270 -0.0103 0.0155 0.0395 176 VAL B CG1 3794 C CG2 . VAL B 96 ? 0.1130 0.1178 0.1799 0.0063 0.0257 0.0340 176 VAL B CG2 3795 N N . ALA B 97 ? 0.1241 0.1129 0.1135 0.0047 0.0324 0.0102 177 ALA B N 3796 C CA . ALA B 97 ? 0.1397 0.1121 0.0992 0.0076 0.0283 0.0331 177 ALA B CA 3797 C C . ALA B 97 ? 0.1408 0.1211 0.0932 0.0105 0.0262 0.0349 177 ALA B C 3798 O O . ALA B 97 ? 0.1206 0.1348 0.1245 -0.0052 0.0048 0.0097 177 ALA B O 3799 C CB . ALA B 97 ? 0.1726 0.1157 0.1187 0.0172 0.0075 0.0345 177 ALA B CB 3800 N N . TRP B 98 ? 0.1362 0.1410 0.0947 0.0087 0.0353 0.0447 178 TRP B N 3801 C CA . TRP B 98 ? 0.1361 0.1464 0.0791 0.0131 0.0050 0.0300 178 TRP B CA 3802 C C . TRP B 98 ? 0.1224 0.1371 0.0986 0.0088 -0.0249 0.0100 178 TRP B C 3803 O O . TRP B 98 ? 0.1186 0.1433 0.1302 0.0367 0.0053 0.0146 178 TRP B O 3804 C CB . TRP B 98 ? 0.1529 0.1380 0.1026 0.0061 0.0015 0.0164 178 TRP B CB 3805 C CG . TRP B 98 ? 0.1447 0.1449 0.0903 0.0100 0.0071 0.0081 178 TRP B CG 3806 C CD1 . TRP B 98 ? 0.1675 0.1427 0.1056 0.0065 0.0099 -0.0049 178 TRP B CD1 3807 C CD2 . TRP B 98 ? 0.1472 0.1623 0.1021 0.0182 0.0001 0.0058 178 TRP B CD2 3808 N NE1 . TRP B 98 ? 0.1536 0.1493 0.0757 0.0102 -0.0267 0.0039 178 TRP B NE1 3809 C CE2 . TRP B 98 ? 0.1428 0.1571 0.0851 0.0061 -0.0173 -0.0143 178 TRP B CE2 3810 C CE3 . TRP B 98 ? 0.1493 0.1712 0.0674 0.0040 -0.0204 0.0073 178 TRP B CE3 3811 C CZ2 . TRP B 98 ? 0.1484 0.1512 0.1009 0.0009 -0.0044 -0.0090 178 TRP B CZ2 3812 C CZ3 . TRP B 98 ? 0.1461 0.1619 0.0800 0.0181 -0.0050 0.0050 178 TRP B CZ3 3813 C CH2 . TRP B 98 ? 0.1408 0.1660 0.1060 0.0164 -0.0070 0.0213 178 TRP B CH2 3814 N N . SER B 99 ? 0.1231 0.1274 0.0945 0.0010 -0.0272 0.0291 179 SER B N 3815 C CA . SER B 99 ? 0.1151 0.1226 0.0917 -0.0180 -0.0079 0.0284 179 SER B CA 3816 C C . SER B 99 ? 0.1307 0.1243 0.1122 -0.0301 0.0084 0.0314 179 SER B C 3817 O O . SER B 99 ? 0.1238 0.1478 0.1039 -0.0232 -0.0093 0.0106 179 SER B O 3818 C CB . SER B 99 ? 0.1123 0.1290 0.1150 -0.0085 -0.0318 0.0368 179 SER B CB 3819 O OG . SER B 99 ? 0.1210 0.1580 0.1031 -0.0444 -0.0192 0.0260 179 SER B OG 3820 N N . ALA B 100 ? 0.1189 0.1099 0.0858 -0.0292 0.0119 0.0230 180 ALA B N 3821 C CA . ALA B 100 ? 0.1158 0.1166 0.1151 -0.0299 -0.0107 0.0252 180 ALA B CA 3822 C C . ALA B 100 ? 0.1099 0.1220 0.0864 -0.0123 -0.0103 0.0112 180 ALA B C 3823 O O . ALA B 100 ? 0.1197 0.1368 0.1241 -0.0043 -0.0063 0.0072 180 ALA B O 3824 C CB . ALA B 100 ? 0.1144 0.1356 0.1572 -0.0332 -0.0269 0.0154 180 ALA B CB 3825 N N . THR B 101 ? 0.1130 0.1123 0.0827 -0.0195 -0.0161 0.0163 181 THR B N 3826 C CA . THR B 101 ? 0.1126 0.1098 0.0690 -0.0217 0.0028 0.0107 181 THR B CA 3827 C C . THR B 101 ? 0.1111 0.1227 0.0976 -0.0281 0.0080 0.0152 181 THR B C 3828 O O . THR B 101 ? 0.1344 0.1198 0.1487 -0.0091 0.0025 0.0270 181 THR B O 3829 C CB . THR B 101 ? 0.1289 0.1093 0.1292 0.0054 -0.0406 0.0046 181 THR B CB 3830 O OG1 . THR B 101 ? 0.1268 0.1495 0.1144 -0.0066 -0.0285 0.0073 181 THR B OG1 3831 C CG2 . THR B 101 ? 0.1500 0.1178 0.1580 -0.0202 -0.0279 -0.0328 181 THR B CG2 3832 N N . ALA B 102 ? 0.1132 0.1313 0.0938 -0.0441 0.0123 0.0207 182 ALA B N 3833 C CA . ALA B 102 ? 0.0944 0.1268 0.0806 -0.0367 -0.0237 0.0179 182 ALA B CA 3834 C C . ALA B 102 ? 0.1275 0.1349 0.0713 -0.0343 -0.0244 0.0429 182 ALA B C 3835 O O . ALA B 102 ? 0.1260 0.1163 0.1228 -0.0306 -0.0174 0.0294 182 ALA B O 3836 C CB . ALA B 102 ? 0.0864 0.1297 0.1053 -0.0506 -0.0136 0.0000 182 ALA B CB 3837 N N . CYS B 103 ? 0.1388 0.1353 0.0925 -0.0341 -0.0074 0.0347 183 CYS B N 3838 C CA . CYS B 103 ? 0.1373 0.1447 0.1055 -0.0340 -0.0033 0.0559 183 CYS B CA 3839 C C . CYS B 103 ? 0.1606 0.1651 0.1049 -0.0402 0.0034 0.0514 183 CYS B C 3840 O O . CYS B 103 ? 0.1796 0.1793 0.1637 -0.0159 0.0089 0.0876 183 CYS B O 3841 C CB . CYS B 103 ? 0.1580 0.1277 0.1678 -0.0189 -0.0200 0.0576 183 CYS B CB 3842 S SG . CYS B 103 ? 0.1799 0.1564 0.1784 -0.0099 -0.0018 0.0184 183 CYS B SG 3843 N N . HIS B 104 ? 0.1705 0.1548 0.0901 -0.0411 0.0121 0.0271 184 HIS B N 3844 C CA . HIS B 104 ? 0.1871 0.1606 0.0786 -0.0524 0.0090 0.0329 184 HIS B CA 3845 C C . HIS B 104 ? 0.1783 0.1655 0.0659 -0.0465 -0.0097 0.0059 184 HIS B C 3846 O O . HIS B 104 ? 0.1911 0.1573 0.1521 -0.0158 -0.0020 0.0219 184 HIS B O 3847 C CB . HIS B 104 ? 0.1826 0.1543 0.1169 -0.0730 0.0119 0.0168 184 HIS B CB 3848 C CG . HIS B 104 ? 0.1993 0.1678 0.1390 -0.0643 0.0216 0.0400 184 HIS B CG 3849 N ND1 . HIS B 104 ? 0.1969 0.1891 0.1536 -0.0754 -0.0144 0.0508 184 HIS B ND1 3850 C CD2 . HIS B 104 ? 0.2056 0.1795 0.1564 -0.0629 0.0330 0.0170 184 HIS B CD2 3851 C CE1 . HIS B 104 ? 0.2077 0.2034 0.1385 -0.0711 -0.0110 0.0269 184 HIS B CE1 3852 N NE2 . HIS B 104 ? 0.2066 0.1915 0.1530 -0.0726 0.0028 0.0549 184 HIS B NE2 3853 N N . ASP B 105 ? 0.1709 0.1783 0.0831 -0.0346 0.0029 0.0090 185 ASP B N 3854 C CA . ASP B 105 ? 0.1753 0.1833 0.0935 -0.0376 0.0065 0.0087 185 ASP B CA 3855 C C . ASP B 105 ? 0.1806 0.1892 0.1352 -0.0401 0.0270 0.0128 185 ASP B C 3856 O O . ASP B 105 ? 0.1812 0.1945 0.1169 -0.0358 0.0131 0.0158 185 ASP B O 3857 C CB . ASP B 105 ? 0.1696 0.1766 0.1223 -0.0405 -0.0007 0.0001 185 ASP B CB 3858 C CG . ASP B 105 ? 0.1702 0.1773 0.1518 -0.0501 -0.0113 0.0095 185 ASP B CG 3859 O OD1 . ASP B 105 ? 0.1617 0.1855 0.1677 -0.0420 -0.0061 0.0064 185 ASP B OD1 3860 O OD2 . ASP B 105 ? 0.1784 0.1957 0.1320 -0.0575 -0.0056 0.0222 185 ASP B OD2 3861 N N . GLY B 106 ? 0.1710 0.1743 0.1477 -0.0510 0.0502 0.0269 186 GLY B N 3862 C CA . GLY B 106 ? 0.1675 0.1897 0.1156 -0.0385 0.0392 0.0573 186 GLY B CA 3863 C C . GLY B 106 ? 0.1788 0.2064 0.1384 -0.0458 0.0146 0.0609 186 GLY B C 3864 O O . GLY B 106 ? 0.1840 0.2326 0.1724 -0.0411 0.0091 0.0576 186 GLY B O 3865 N N . LYS B 107 ? 0.1684 0.2122 0.1428 -0.0368 0.0221 0.0246 187 LYS B N 3866 C CA . LYS B 107 ? 0.1683 0.2067 0.1059 -0.0393 0.0323 0.0170 187 LYS B CA 3867 C C . LYS B 107 ? 0.1717 0.2151 0.1073 -0.0709 0.0235 0.0163 187 LYS B C 3868 O O . LYS B 107 ? 0.1842 0.2425 0.1638 -0.0909 -0.0021 0.0193 187 LYS B O 3869 C CB . LYS B 107 ? 0.2109 0.2134 0.1007 -0.0252 0.0210 0.0128 187 LYS B CB 3870 C CG . LYS B 107 ? 0.2394 0.2120 0.1231 -0.0076 0.0016 0.0132 187 LYS B CG 3871 C CD . LYS B 107 ? 0.2598 0.2279 0.1326 -0.0041 -0.0017 -0.0136 187 LYS B CD 3872 C CE . LYS B 107 ? 0.2835 0.2354 0.1749 -0.0074 0.0283 -0.0266 187 LYS B CE 3873 N NZ . LYS B 107 ? 0.3122 0.2579 0.2317 0.0066 0.0233 -0.0250 187 LYS B NZ 3874 N N . LYS B 108 ? 0.1882 0.2155 0.1004 -0.0458 0.0392 0.0351 188 LYS B N 3875 C CA . LYS B 108 ? 0.1872 0.2170 0.1063 -0.0266 0.0139 0.0240 188 LYS B CA 3876 C C . LYS B 108 ? 0.1685 0.2127 0.1109 -0.0233 0.0050 0.0242 188 LYS B C 3877 O O . LYS B 108 ? 0.1765 0.2315 0.1103 -0.0334 -0.0192 0.0245 188 LYS B O 3878 C CB . LYS B 108 ? 0.2047 0.2422 0.1398 -0.0277 0.0516 0.0391 188 LYS B CB 3879 C CG . LYS B 108 ? 0.2479 0.3076 0.1696 -0.0434 0.0683 0.0309 188 LYS B CG 3880 C CD . LYS B 108 ? 0.2849 0.3715 0.2722 -0.0483 0.0604 0.0208 188 LYS B CD 3881 C CE . LYS B 108 ? 0.3352 0.4232 0.3796 -0.0614 0.0574 0.0313 188 LYS B CE 3882 N NZ . LYS B 108 ? 0.3643 0.4587 0.4366 -0.0601 0.0373 0.0393 188 LYS B NZ 3883 N N . TRP B 109 ? 0.1716 0.1955 0.0873 -0.0208 0.0311 0.0218 189 TRP B N 3884 C CA . TRP B 109 ? 0.1659 0.1846 0.0968 -0.0127 0.0050 0.0137 189 TRP B CA 3885 C C . TRP B 109 ? 0.1565 0.1600 0.1312 -0.0103 0.0115 -0.0024 189 TRP B C 3886 O O . TRP B 109 ? 0.1773 0.1489 0.1399 -0.0034 0.0217 0.0052 189 TRP B O 3887 C CB . TRP B 109 ? 0.1639 0.1884 0.1048 -0.0155 -0.0031 -0.0060 189 TRP B CB 3888 C CG . TRP B 109 ? 0.1701 0.1732 0.1112 -0.0141 0.0070 0.0027 189 TRP B CG 3889 C CD1 . TRP B 109 ? 0.1915 0.1820 0.1233 -0.0175 -0.0261 -0.0254 189 TRP B CD1 3890 C CD2 . TRP B 109 ? 0.1853 0.1998 0.1171 0.0025 0.0027 -0.0071 189 TRP B CD2 3891 N NE1 . TRP B 109 ? 0.2021 0.1868 0.1354 0.0013 -0.0133 -0.0524 189 TRP B NE1 3892 C CE2 . TRP B 109 ? 0.2024 0.2135 0.1250 0.0125 -0.0032 -0.0393 189 TRP B CE2 3893 C CE3 . TRP B 109 ? 0.1906 0.2276 0.0983 0.0169 0.0025 -0.0032 189 TRP B CE3 3894 C CZ2 . TRP B 109 ? 0.2157 0.2521 0.1347 0.0266 -0.0047 -0.0065 189 TRP B CZ2 3895 C CZ3 . TRP B 109 ? 0.2275 0.2559 0.1354 0.0288 -0.0204 -0.0185 189 TRP B CZ3 3896 C CH2 . TRP B 109 ? 0.2304 0.2600 0.1344 0.0361 -0.0213 -0.0388 189 TRP B CH2 3897 N N . LEU B 110 ? 0.1471 0.1399 0.1292 -0.0332 0.0227 0.0218 190 LEU B N 3898 C CA . LEU B 110 ? 0.1413 0.1372 0.1125 -0.0309 -0.0094 0.0034 190 LEU B CA 3899 C C . LEU B 110 ? 0.1393 0.1474 0.1256 -0.0130 0.0064 0.0189 190 LEU B C 3900 O O . LEU B 110 ? 0.1402 0.1535 0.1546 -0.0043 0.0088 0.0344 190 LEU B O 3901 C CB . LEU B 110 ? 0.1386 0.1275 0.1734 -0.0485 -0.0298 0.0048 190 LEU B CB 3902 C CG . LEU B 110 ? 0.1444 0.1306 0.2387 -0.0448 -0.0104 0.0006 190 LEU B CG 3903 C CD1 . LEU B 110 ? 0.1575 0.1391 0.2524 -0.0315 0.0019 0.0118 190 LEU B CD1 3904 C CD2 . LEU B 110 ? 0.1534 0.1651 0.2766 -0.0485 -0.0304 0.0071 190 LEU B CD2 3905 N N . ALA B 111 ? 0.1600 0.1668 0.0931 -0.0035 -0.0003 0.0234 191 ALA B N 3906 C CA . ALA B 111 ? 0.1652 0.1761 0.1138 0.0145 0.0294 0.0193 191 ALA B CA 3907 C C . ALA B 111 ? 0.1751 0.1564 0.1492 0.0224 0.0545 0.0433 191 ALA B C 3908 O O . ALA B 111 ? 0.2027 0.1448 0.2162 0.0298 0.0892 0.0541 191 ALA B O 3909 C CB . ALA B 111 ? 0.1810 0.2073 0.1503 0.0256 0.0251 -0.0054 191 ALA B CB 3910 N N . VAL B 112 ? 0.1550 0.1517 0.1203 0.0134 0.0196 0.0331 192 VAL B N 3911 C CA . VAL B 112 ? 0.1494 0.1612 0.1085 0.0170 0.0161 0.0294 192 VAL B CA 3912 C C . VAL B 112 ? 0.1402 0.1592 0.0861 0.0218 -0.0039 0.0389 192 VAL B C 3913 O O . VAL B 112 ? 0.1562 0.1580 0.1140 0.0335 -0.0021 0.0277 192 VAL B O 3914 C CB . VAL B 112 ? 0.1740 0.1611 0.1032 -0.0217 0.0107 -0.0143 192 VAL B CB 3915 C CG1 . VAL B 112 ? 0.1798 0.1609 0.1644 -0.0513 0.0121 -0.0174 192 VAL B CG1 3916 C CG2 . VAL B 112 ? 0.1893 0.1803 0.1122 -0.0085 0.0096 -0.0020 192 VAL B CG2 3917 N N . GLY B 113 ? 0.1451 0.1462 0.0821 0.0042 -0.0396 0.0379 193 GLY B N 3918 C CA . GLY B 113 ? 0.1458 0.1326 0.1004 -0.0052 -0.0098 0.0342 193 GLY B CA 3919 C C . GLY B 113 ? 0.1234 0.1304 0.0950 -0.0014 0.0074 0.0338 193 GLY B C 3920 O O . GLY B 113 ? 0.1163 0.1367 0.1618 -0.0074 0.0057 0.0013 193 GLY B O 3921 N N . ILE B 114 ? 0.1211 0.1203 0.0788 -0.0132 -0.0034 0.0269 194 ILE B N 3922 C CA . ILE B 114 ? 0.1298 0.1373 0.1118 -0.0136 -0.0153 0.0398 194 ILE B CA 3923 C C . ILE B 114 ? 0.1288 0.1380 0.1113 -0.0113 -0.0093 0.0391 194 ILE B C 3924 O O . ILE B 114 ? 0.1321 0.1611 0.1254 -0.0186 0.0033 0.0068 194 ILE B O 3925 C CB . ILE B 114 ? 0.1289 0.1361 0.1184 -0.0113 -0.0288 0.0727 194 ILE B CB 3926 C CG1 . ILE B 114 ? 0.1393 0.1705 0.1340 0.0125 -0.0243 0.0510 194 ILE B CG1 3927 C CG2 . ILE B 114 ? 0.1185 0.1232 0.1693 -0.0139 -0.0061 0.0402 194 ILE B CG2 3928 C CD1 . ILE B 114 ? 0.1317 0.1928 0.1765 0.0220 0.0004 0.0217 194 ILE B CD1 3929 N N . SER B 115 ? 0.1185 0.1372 0.0856 -0.0046 -0.0154 0.0299 195 SER B N 3930 C CA . SER B 115 ? 0.1217 0.1576 0.1274 0.0055 -0.0353 0.0256 195 SER B CA 3931 C C . SER B 115 ? 0.1265 0.1404 0.1441 0.0086 -0.0119 0.0105 195 SER B C 3932 O O . SER B 115 ? 0.1348 0.1392 0.1425 -0.0121 0.0118 0.0295 195 SER B O 3933 C CB . SER B 115 ? 0.1218 0.1859 0.1168 -0.0008 -0.0218 0.0296 195 SER B CB 3934 O OG . SER B 115 ? 0.1219 0.1855 0.1291 -0.0020 -0.0165 0.0337 195 SER B OG 3935 N N . GLY B 116 ? 0.1333 0.1303 0.1435 -0.0036 0.0039 0.0312 196 GLY B N 3936 C CA . GLY B 116 ? 0.1485 0.1482 0.1715 0.0146 0.0156 0.0303 196 GLY B CA 3937 C C . GLY B 116 ? 0.1417 0.1483 0.1366 0.0066 0.0093 0.0421 196 GLY B C 3938 O O . GLY B 116 ? 0.1558 0.1626 0.1337 0.0070 0.0232 0.0297 196 GLY B O 3939 N N . ALA B 117 ? 0.1504 0.1327 0.1578 0.0097 0.0280 0.0709 197 ALA B N 3940 C CA . ALA B 117 ? 0.1561 0.1590 0.1608 0.0219 0.0149 0.0672 197 ALA B CA 3941 C C . ALA B 117 ? 0.1463 0.1938 0.1573 -0.0065 0.0461 0.0543 197 ALA B C 3942 O O . ALA B 117 ? 0.1506 0.1794 0.1598 -0.0178 0.0321 0.0559 197 ALA B O 3943 C CB . ALA B 117 ? 0.1853 0.1713 0.1800 0.0343 -0.0084 0.0540 197 ALA B CB 3944 N N . ASP B 118 ? 0.1448 0.2048 0.1753 -0.0004 0.0459 0.0499 198 ASP B N 3945 C CA . ASP B 118 ? 0.1514 0.2013 0.1575 0.0038 0.0422 0.0438 198 ASP B CA 3946 C C . ASP B 118 ? 0.1646 0.1979 0.1650 -0.0099 0.0380 0.0612 198 ASP B C 3947 O O . ASP B 118 ? 0.1726 0.2109 0.1860 0.0073 0.0325 0.0598 198 ASP B O 3948 C CB . ASP B 118 ? 0.1603 0.2274 0.1570 0.0044 0.0592 0.0422 198 ASP B CB 3949 C CG . ASP B 118 ? 0.1662 0.2461 0.1913 -0.0013 0.0741 0.0544 198 ASP B CG 3950 O OD1 . ASP B 118 ? 0.1851 0.2370 0.2381 0.0159 0.0405 0.0658 198 ASP B OD1 3951 O OD2 . ASP B 118 ? 0.1921 0.2655 0.1864 -0.0114 0.0664 0.0621 198 ASP B OD2 3952 N N . ASP B 119 ? 0.1855 0.1829 0.1954 -0.0295 0.0441 0.0724 199 ASP B N 3953 C CA . ASP B 119 ? 0.2167 0.1795 0.2318 -0.0191 0.0226 0.1045 199 ASP B CA 3954 C C . ASP B 119 ? 0.2016 0.1507 0.2294 -0.0038 0.0402 0.0726 199 ASP B C 3955 O O . ASP B 119 ? 0.2286 0.1655 0.2498 -0.0216 0.0427 0.0381 199 ASP B O 3956 C CB . ASP B 119 ? 0.2455 0.1942 0.3031 -0.0173 -0.0094 0.1519 199 ASP B CB 3957 C CG . ASP B 119 ? 0.2981 0.2165 0.3536 -0.0108 -0.0326 0.1938 199 ASP B CG 3958 O OD1 . ASP B 119 ? 0.2974 0.2452 0.3647 -0.0003 -0.0521 0.1493 199 ASP B OD1 3959 O OD2 . ASP B 119 ? 0.3341 0.2420 0.4364 -0.0006 -0.0282 0.1984 199 ASP B OD2 3960 N N . ASP B 120 ? 0.1688 0.1153 0.2215 0.0223 0.0063 0.0526 200 ASP B N 3961 C CA . ASP B 120 ? 0.1767 0.1298 0.2237 0.0267 0.0457 0.0409 200 ASP B CA 3962 C C . ASP B 120 ? 0.1702 0.1480 0.1963 0.0437 0.0480 0.0301 200 ASP B C 3963 O O . ASP B 120 ? 0.1720 0.1774 0.2275 0.0231 0.0495 0.0447 200 ASP B O 3964 C CB . ASP B 120 ? 0.2093 0.1589 0.3029 0.0486 0.0642 0.0307 200 ASP B CB 3965 C CG . ASP B 120 ? 0.2662 0.1821 0.4114 0.0583 0.0991 0.0438 200 ASP B CG 3966 O OD1 . ASP B 120 ? 0.2916 0.2019 0.4263 0.0412 0.1153 0.0362 200 ASP B OD1 3967 O OD2 . ASP B 120 ? 0.3152 0.2136 0.4745 0.0541 0.1284 0.0171 200 ASP B OD2 3968 N N . ALA B 121 ? 0.1825 0.1354 0.1444 0.0407 0.0202 0.0519 201 ALA B N 3969 C CA . ALA B 121 ? 0.1484 0.1338 0.1335 0.0236 0.0301 0.0402 201 ALA B CA 3970 C C . ALA B 121 ? 0.1395 0.1517 0.1481 -0.0067 0.0013 0.0356 201 ALA B C 3971 O O . ALA B 121 ? 0.1524 0.1773 0.1350 -0.0042 0.0061 0.0089 201 ALA B O 3972 C CB . ALA B 121 ? 0.1534 0.1455 0.1789 0.0471 0.0538 0.0392 201 ALA B CB 3973 N N . TYR B 122 ? 0.1413 0.1343 0.1179 0.0004 0.0044 0.0359 202 TYR B N 3974 C CA . TYR B 122 ? 0.1338 0.1247 0.1022 0.0022 0.0268 -0.0103 202 TYR B CA 3975 C C . TYR B 122 ? 0.1328 0.1344 0.1221 -0.0142 0.0049 0.0032 202 TYR B C 3976 O O . TYR B 122 ? 0.1411 0.1447 0.1127 -0.0117 0.0045 0.0124 202 TYR B O 3977 C CB . TYR B 122 ? 0.1214 0.1360 0.1367 0.0173 0.0077 0.0045 202 TYR B CB 3978 C CG . TYR B 122 ? 0.1035 0.1189 0.1337 -0.0021 -0.0018 0.0188 202 TYR B CG 3979 C CD1 . TYR B 122 ? 0.0977 0.1339 0.1694 -0.0067 0.0207 0.0102 202 TYR B CD1 3980 C CD2 . TYR B 122 ? 0.1207 0.1199 0.1443 -0.0130 -0.0284 -0.0011 202 TYR B CD2 3981 C CE1 . TYR B 122 ? 0.1057 0.1463 0.1540 -0.0010 0.0056 0.0233 202 TYR B CE1 3982 C CE2 . TYR B 122 ? 0.1134 0.1240 0.1554 -0.0058 -0.0091 0.0057 202 TYR B CE2 3983 C CZ . TYR B 122 ? 0.1053 0.1354 0.1667 -0.0104 -0.0349 0.0235 202 TYR B CZ 3984 O OH . TYR B 122 ? 0.1330 0.1513 0.1753 -0.0087 -0.0100 0.0165 202 TYR B OH 3985 N N . ALA B 123 ? 0.1333 0.1260 0.1327 0.0063 0.0109 0.0248 203 ALA B N 3986 C CA . ALA B 123 ? 0.1298 0.1422 0.1394 0.0011 -0.0026 0.0204 203 ALA B CA 3987 C C . ALA B 123 ? 0.1176 0.1523 0.1107 -0.0040 0.0031 0.0057 203 ALA B C 3988 O O . ALA B 123 ? 0.1303 0.1688 0.1391 -0.0214 0.0141 -0.0150 203 ALA B O 3989 C CB . ALA B 123 ? 0.1275 0.1581 0.1508 0.0089 -0.0124 0.0367 203 ALA B CB 3990 N N . VAL B 124 ? 0.0954 0.1538 0.1114 -0.0125 0.0233 0.0141 204 VAL B N 3991 C CA . VAL B 124 ? 0.1010 0.1437 0.0799 0.0023 0.0092 0.0133 204 VAL B CA 3992 C C . VAL B 124 ? 0.1154 0.1407 0.1129 -0.0009 0.0115 -0.0085 204 VAL B C 3993 O O . VAL B 124 ? 0.1495 0.1504 0.1039 0.0035 0.0031 -0.0090 204 VAL B O 3994 C CB . VAL B 124 ? 0.1021 0.1321 0.1083 -0.0032 0.0011 0.0341 204 VAL B CB 3995 C CG1 . VAL B 124 ? 0.0812 0.1379 0.1166 -0.0234 0.0103 0.0058 204 VAL B CG1 3996 C CG2 . VAL B 124 ? 0.1419 0.1221 0.1383 -0.0052 -0.0260 0.0287 204 VAL B CG2 3997 N N . ILE B 125 ? 0.1210 0.1463 0.1152 -0.0032 0.0116 0.0445 205 ILE B N 3998 C CA . ILE B 125 ? 0.1603 0.1372 0.0862 -0.0124 0.0164 0.0079 205 ILE B CA 3999 C C . ILE B 125 ? 0.1677 0.1270 0.0971 -0.0195 0.0316 0.0061 205 ILE B C 4000 O O . ILE B 125 ? 0.1989 0.1221 0.1528 -0.0201 0.0225 -0.0297 205 ILE B O 4001 C CB . ILE B 125 ? 0.1954 0.1563 0.1061 -0.0291 -0.0013 0.0314 205 ILE B CB 4002 C CG1 . ILE B 125 ? 0.2468 0.1954 0.1609 -0.0553 -0.0367 -0.0191 205 ILE B CG1 4003 C CG2 . ILE B 125 ? 0.1912 0.1630 0.1487 -0.0129 -0.0011 0.0198 205 ILE B CG2 4004 C CD1 . ILE B 125 ? 0.2905 0.2298 0.2038 -0.0569 0.0133 -0.0618 205 ILE B CD1 4005 N N . HIS B 126 ? 0.1704 0.1187 0.1091 -0.0133 0.0179 0.0154 206 HIS B N 4006 C CA . HIS B 126 ? 0.1672 0.1480 0.0880 -0.0235 0.0002 0.0163 206 HIS B CA 4007 C C . HIS B 126 ? 0.1730 0.1538 0.0664 -0.0048 0.0299 0.0089 206 HIS B C 4008 O O . HIS B 126 ? 0.1769 0.1794 0.1310 0.0039 0.0108 0.0177 206 HIS B O 4009 C CB . HIS B 126 ? 0.1481 0.1286 0.1207 -0.0149 -0.0342 -0.0009 206 HIS B CB 4010 C CG . HIS B 126 ? 0.1357 0.1238 0.1239 0.0063 0.0212 0.0275 206 HIS B CG 4011 N ND1 . HIS B 126 ? 0.1365 0.1538 0.1571 0.0352 -0.0304 0.0064 206 HIS B ND1 4012 C CD2 . HIS B 126 ? 0.1129 0.1140 0.1170 0.0169 -0.0045 0.0303 206 HIS B CD2 4013 C CE1 . HIS B 126 ? 0.0939 0.1339 0.1217 0.0238 -0.0396 0.0059 206 HIS B CE1 4014 N NE2 . HIS B 126 ? 0.1716 0.1618 0.1836 0.0213 -0.0179 0.0009 206 HIS B NE2 4015 N N . TYR B 127 ? 0.1703 0.1402 0.0583 -0.0339 0.0159 -0.0006 207 TYR B N 4016 C CA . TYR B 127 ? 0.1676 0.1572 0.0575 -0.0485 0.0061 -0.0183 207 TYR B CA 4017 C C . TYR B 127 ? 0.1754 0.1827 0.1255 -0.0530 0.0147 0.0059 207 TYR B C 4018 O O . TYR B 127 ? 0.1880 0.2068 0.1451 -0.0394 0.0231 0.0219 207 TYR B O 4019 C CB . TYR B 127 ? 0.1839 0.1800 0.0887 -0.0299 0.0039 -0.0160 207 TYR B CB 4020 C CG . TYR B 127 ? 0.1726 0.1931 0.0726 -0.0247 -0.0048 0.0081 207 TYR B CG 4021 C CD1 . TYR B 127 ? 0.1710 0.1954 0.1029 -0.0347 -0.0279 0.0062 207 TYR B CD1 4022 C CD2 . TYR B 127 ? 0.1795 0.2049 0.0851 -0.0249 -0.0070 0.0102 207 TYR B CD2 4023 C CE1 . TYR B 127 ? 0.1739 0.1952 0.0933 -0.0584 0.0122 0.0387 207 TYR B CE1 4024 C CE2 . TYR B 127 ? 0.1671 0.2187 0.1174 -0.0273 -0.0083 0.0100 207 TYR B CE2 4025 C CZ . TYR B 127 ? 0.1669 0.2139 0.0968 -0.0373 -0.0010 0.0356 207 TYR B CZ 4026 O OH . TYR B 127 ? 0.1942 0.2500 0.1272 -0.0251 -0.0034 0.0351 207 TYR B OH 4027 N N . GLY B 128 ? 0.1604 0.2000 0.1431 -0.0483 0.0022 0.0328 208 GLY B N 4028 C CA . GLY B 128 ? 0.1472 0.2258 0.1687 -0.0412 0.0038 0.0412 208 GLY B CA 4029 C C . GLY B 128 ? 0.1636 0.2333 0.1957 -0.0140 0.0083 0.0088 208 GLY B C 4030 O O . GLY B 128 ? 0.1655 0.2429 0.2230 0.0077 0.0415 0.0047 208 GLY B O 4031 N N . GLY B 129 ? 0.1610 0.2353 0.1774 -0.0094 -0.0105 -0.0140 209 GLY B N 4032 C CA . GLY B 129 ? 0.1790 0.2537 0.2233 0.0208 -0.0260 -0.0127 209 GLY B CA 4033 C C . GLY B 129 ? 0.1924 0.2881 0.2487 0.0336 -0.0006 0.0225 209 GLY B C 4034 O O . GLY B 129 ? 0.1998 0.3345 0.2738 0.0641 0.0048 0.0276 209 GLY B O 4035 N N . MET B 130 ? 0.1916 0.2574 0.2431 0.0116 0.0458 0.0205 210 MET B N 4036 C CA . MET B 130 ? 0.2038 0.2728 0.2725 0.0138 0.0600 0.0085 210 MET B CA 4037 C C . MET B 130 ? 0.1717 0.2352 0.2173 0.0173 0.0255 0.0071 210 MET B C 4038 O O . MET B 130 ? 0.1918 0.2242 0.1781 0.0414 0.0116 0.0115 210 MET B O 4039 C CB . MET B 130 ? 0.2388 0.3083 0.3467 0.0180 0.0727 -0.0131 210 MET B CB 4040 C CG . MET B 130 ? 0.2681 0.3637 0.4168 0.0133 0.0255 -0.0395 210 MET B CG 4041 S SD . MET B 130 ? 0.2984 0.3941 0.5018 0.0125 0.0199 -0.0706 210 MET B SD 4042 C CE . MET B 130 ? 0.3181 0.4048 0.5394 -0.0022 0.0010 -0.0722 210 MET B CE 4043 N N . PRO B 131 ? 0.1522 0.2262 0.1864 0.0048 0.0098 -0.0086 211 PRO B N 4044 C CA . PRO B 131 ? 0.1625 0.2201 0.1719 0.0312 -0.0254 -0.0051 211 PRO B CA 4045 C C . PRO B 131 ? 0.1665 0.2554 0.1814 0.0376 -0.0337 -0.0485 211 PRO B C 4046 O O . PRO B 131 ? 0.2106 0.3308 0.2608 0.0570 -0.0517 -0.0940 211 PRO B O 4047 C CB . PRO B 131 ? 0.1730 0.2344 0.2329 0.0122 -0.0464 0.0256 211 PRO B CB 4048 C CG . PRO B 131 ? 0.1787 0.2343 0.2329 -0.0050 -0.0315 0.0257 211 PRO B CG 4049 C CD . PRO B 131 ? 0.1781 0.2287 0.2448 -0.0056 -0.0233 0.0010 211 PRO B CD 4050 N N . THR B 132 ? 0.1458 0.2019 0.1068 -0.0209 -0.0231 -0.0084 212 THR B N 4051 C CA . THR B 132 ? 0.1414 0.1794 0.1315 -0.0283 0.0227 0.0106 212 THR B CA 4052 C C . THR B 132 ? 0.1561 0.1674 0.1316 -0.0103 0.0332 0.0117 212 THR B C 4053 O O . THR B 132 ? 0.1813 0.1786 0.1560 -0.0005 0.0290 -0.0341 212 THR B O 4054 C CB . THR B 132 ? 0.1586 0.1835 0.1570 -0.0256 0.0234 0.0359 212 THR B CB 4055 O OG1 . THR B 132 ? 0.1709 0.1994 0.1634 0.0241 -0.0119 -0.0033 212 THR B OG1 4056 C CG2 . THR B 132 ? 0.1958 0.1816 0.2010 -0.0569 0.0024 0.0212 212 THR B CG2 4057 N N . ASP B 133 ? 0.1612 0.1506 0.1290 -0.0084 0.0348 0.0308 213 ASP B N 4058 C CA . ASP B 133 ? 0.1601 0.1689 0.1133 -0.0063 0.0129 0.0005 213 ASP B CA 4059 C C . ASP B 133 ? 0.1586 0.1578 0.1198 -0.0113 0.0125 -0.0007 213 ASP B C 4060 O O . ASP B 133 ? 0.1622 0.1542 0.1186 -0.0086 -0.0024 -0.0008 213 ASP B O 4061 C CB . ASP B 133 ? 0.1613 0.1524 0.1358 -0.0145 -0.0321 -0.0354 213 ASP B CB 4062 C CG . ASP B 133 ? 0.1793 0.1811 0.1561 0.0094 -0.0205 -0.0123 213 ASP B CG 4063 O OD1 . ASP B 133 ? 0.1968 0.1818 0.1767 0.0028 -0.0083 -0.0074 213 ASP B OD1 4064 O OD2 . ASP B 133 ? 0.1994 0.1798 0.2326 -0.0125 -0.0652 0.0190 213 ASP B OD2 4065 N N . VAL B 134 ? 0.1456 0.1579 0.1291 -0.0333 0.0416 0.0212 214 VAL B N 4066 C CA . VAL B 134 ? 0.1472 0.1758 0.1311 -0.0439 0.0112 0.0193 214 VAL B CA 4067 C C . VAL B 134 ? 0.1567 0.1964 0.1591 -0.0573 0.0087 -0.0085 214 VAL B C 4068 O O . VAL B 134 ? 0.1922 0.2436 0.1654 -0.0608 0.0155 -0.0357 214 VAL B O 4069 C CB . VAL B 134 ? 0.1803 0.1893 0.2004 -0.0410 -0.0381 0.0044 214 VAL B CB 4070 C CG1 . VAL B 134 ? 0.1740 0.2077 0.2105 -0.0574 -0.0534 0.0039 214 VAL B CG1 4071 C CG2 . VAL B 134 ? 0.2199 0.2089 0.2504 -0.0260 -0.0369 0.0108 214 VAL B CG2 4072 N N . VAL B 135 ? 0.1344 0.1706 0.1399 -0.0583 0.0099 0.0124 215 VAL B N 4073 C CA . VAL B 135 ? 0.1232 0.1644 0.1716 -0.0494 -0.0067 0.0403 215 VAL B CA 4074 C C . VAL B 135 ? 0.1228 0.1582 0.1769 -0.0285 0.0249 0.0202 215 VAL B C 4075 O O . VAL B 135 ? 0.1569 0.1724 0.1413 -0.0277 0.0197 0.0019 215 VAL B O 4076 C CB . VAL B 135 ? 0.1308 0.1902 0.2038 -0.0576 -0.0052 0.0817 215 VAL B CB 4077 C CG1 . VAL B 135 ? 0.1400 0.2001 0.2168 -0.0588 0.0170 0.0590 215 VAL B CG1 4078 C CG2 . VAL B 135 ? 0.1677 0.2065 0.2253 -0.0377 -0.0037 0.0979 215 VAL B CG2 4079 N N . ARG B 136 ? 0.1446 0.1551 0.1982 -0.0085 0.0157 0.0321 216 ARG B N 4080 C CA . ARG B 136 ? 0.1569 0.1523 0.2066 0.0052 0.0486 0.0427 216 ARG B CA 4081 C C . ARG B 136 ? 0.1336 0.1609 0.1601 -0.0026 0.0224 0.0426 216 ARG B C 4082 O O . ARG B 136 ? 0.1375 0.1994 0.1977 -0.0071 0.0014 0.0323 216 ARG B O 4083 C CB . ARG B 136 ? 0.1903 0.1660 0.2621 0.0373 0.0758 0.0177 216 ARG B CB 4084 C CG . ARG B 136 ? 0.2231 0.2065 0.3363 0.0329 0.0801 0.0197 216 ARG B CG 4085 C CD . ARG B 136 ? 0.2555 0.2550 0.3571 0.0258 0.0317 0.0552 216 ARG B CD 4086 N NE . ARG B 136 ? 0.2703 0.2828 0.3576 0.0265 -0.0066 0.0231 216 ARG B NE 4087 C CZ . ARG B 136 ? 0.3084 0.3072 0.3951 0.0259 0.0163 -0.0187 216 ARG B CZ 4088 N NH1 . ARG B 136 ? 0.3171 0.3351 0.4312 0.0364 0.0402 -0.0262 216 ARG B NH1 4089 N NH2 . ARG B 136 ? 0.3259 0.3120 0.3849 0.0273 0.0324 -0.0424 216 ARG B NH2 4090 N N . SER B 137 ? 0.1259 0.1730 0.1626 -0.0058 0.0250 0.0187 217 SER B N 4091 C CA . SER B 137 ? 0.1291 0.1672 0.1673 0.0078 0.0075 -0.0044 217 SER B CA 4092 C C . SER B 137 ? 0.1448 0.1571 0.1870 0.0074 0.0055 0.0043 217 SER B C 4093 O O . SER B 137 ? 0.1763 0.1578 0.2736 0.0080 -0.0231 0.0122 217 SER B O 4094 C CB . SER B 137 ? 0.1215 0.1744 0.1465 0.0146 0.0069 -0.0038 217 SER B CB 4095 O OG . SER B 137 ? 0.1030 0.1741 0.1892 -0.0097 0.0335 0.0212 217 SER B OG 4096 N N . TRP B 138 ? 0.1329 0.1588 0.1737 -0.0215 0.0128 -0.0027 218 TRP B N 4097 C CA . TRP B 138 ? 0.1595 0.1780 0.1722 -0.0181 0.0065 0.0202 218 TRP B CA 4098 C C . TRP B 138 ? 0.1846 0.1837 0.2094 -0.0431 0.0111 0.0339 218 TRP B C 4099 O O . TRP B 138 ? 0.2166 0.1905 0.2337 -0.0527 0.0106 0.0183 218 TRP B O 4100 C CB . TRP B 138 ? 0.1572 0.1669 0.1704 -0.0122 -0.0137 0.0299 218 TRP B CB 4101 C CG . TRP B 138 ? 0.1632 0.1545 0.1759 -0.0195 -0.0064 0.0038 218 TRP B CG 4102 C CD1 . TRP B 138 ? 0.1551 0.1480 0.2105 -0.0144 0.0082 0.0104 218 TRP B CD1 4103 C CD2 . TRP B 138 ? 0.1800 0.1525 0.1783 -0.0413 -0.0072 0.0160 218 TRP B CD2 4104 N NE1 . TRP B 138 ? 0.1621 0.1333 0.2013 -0.0279 0.0097 0.0283 218 TRP B NE1 4105 C CE2 . TRP B 138 ? 0.1770 0.1416 0.1879 -0.0301 0.0063 0.0108 218 TRP B CE2 4106 C CE3 . TRP B 138 ? 0.2017 0.1461 0.1644 -0.0399 -0.0352 -0.0007 218 TRP B CE3 4107 C CZ2 . TRP B 138 ? 0.1881 0.1432 0.1569 -0.0232 0.0152 0.0399 218 TRP B CZ2 4108 C CZ3 . TRP B 138 ? 0.1965 0.1510 0.1896 -0.0198 -0.0680 0.0393 218 TRP B CZ3 4109 C CH2 . TRP B 138 ? 0.1869 0.1491 0.1809 -0.0338 -0.0404 0.0357 218 TRP B CH2 4110 N N . ARG B 139 ? 0.1676 0.1700 0.1642 -0.0327 -0.0092 0.0282 219 ARG B N 4111 C CA . ARG B 139 ? 0.1843 0.1795 0.1977 -0.0198 -0.0186 0.0442 219 ARG B CA 4112 C C . ARG B 139 ? 0.1868 0.1783 0.1877 -0.0245 0.0131 0.0511 219 ARG B C 4113 O O . ARG B 139 ? 0.1925 0.1883 0.2251 -0.0295 0.0344 0.0656 219 ARG B O 4114 C CB . ARG B 139 ? 0.1917 0.1988 0.2387 -0.0158 -0.0088 0.0531 219 ARG B CB 4115 C CG . ARG B 139 ? 0.2026 0.2028 0.2949 -0.0247 -0.0255 0.0533 219 ARG B CG 4116 C CD . ARG B 139 ? 0.2448 0.2351 0.3759 -0.0103 -0.0707 -0.0008 219 ARG B CD 4117 N NE . ARG B 139 ? 0.2916 0.2777 0.4632 -0.0039 -0.0550 0.0160 219 ARG B NE 4118 C CZ . ARG B 139 ? 0.3163 0.3002 0.4836 0.0011 -0.0670 0.0429 219 ARG B CZ 4119 N NH1 . ARG B 139 ? 0.3287 0.3055 0.5092 0.0027 -0.0435 0.0663 219 ARG B NH1 4120 N NH2 . ARG B 139 ? 0.3117 0.2978 0.4866 -0.0040 -0.0797 0.0490 219 ARG B NH2 4121 N N . LYS B 140 ? 0.1780 0.1666 0.2167 0.0139 0.0228 0.0319 220 LYS B N 4122 C CA . LYS B 140 ? 0.1987 0.1476 0.1964 0.0087 0.0340 0.0485 220 LYS B CA 4123 C C . LYS B 140 ? 0.1740 0.1548 0.1917 0.0166 0.0148 0.0465 220 LYS B C 4124 O O . LYS B 140 ? 0.1808 0.1435 0.2190 0.0233 0.0056 0.0467 220 LYS B O 4125 C CB . LYS B 140 ? 0.2277 0.1559 0.2189 -0.0068 0.0471 0.0591 220 LYS B CB 4126 C CG . LYS B 140 ? 0.2486 0.1790 0.2635 0.0142 0.0494 0.0539 220 LYS B CG 4127 C CD . LYS B 140 ? 0.2825 0.1998 0.2769 0.0403 0.0529 0.0453 220 LYS B CD 4128 C CE . LYS B 140 ? 0.3010 0.2341 0.3322 0.0434 0.0658 0.0802 220 LYS B CE 4129 N NZ . LYS B 140 ? 0.3159 0.2600 0.3668 0.0503 0.0661 0.1061 220 LYS B NZ 4130 N N . GLN B 141 ? 0.1481 0.1462 0.1973 0.0088 0.0337 0.0134 221 GLN B N 4131 C CA . GLN B 141 ? 0.1503 0.1779 0.1874 0.0108 0.0385 0.0186 221 GLN B CA 4132 C C . GLN B 141 ? 0.1423 0.1485 0.1543 0.0218 0.0173 0.0318 221 GLN B C 4133 O O . GLN B 141 ? 0.1371 0.1618 0.1804 -0.0077 0.0192 0.0172 221 GLN B O 4134 C CB . GLN B 141 ? 0.1748 0.2182 0.2163 0.0123 0.0466 0.0051 221 GLN B CB 4135 C CG . GLN B 141 ? 0.2155 0.2626 0.2714 0.0100 0.0514 -0.0049 221 GLN B CG 4136 C CD . GLN B 141 ? 0.2461 0.3016 0.3176 0.0028 0.0553 0.0078 221 GLN B CD 4137 O OE1 . GLN B 141 ? 0.2639 0.3411 0.3593 0.0093 0.0628 0.0208 221 GLN B OE1 4138 N NE2 . GLN B 141 ? 0.2609 0.3213 0.3059 0.0032 0.0230 0.0267 221 GLN B NE2 4139 N N . ILE B 142 ? 0.1482 0.1369 0.1833 0.0033 0.0466 0.0624 222 ILE B N 4140 C CA . ILE B 142 ? 0.1514 0.1422 0.1653 -0.0238 0.0427 0.0712 222 ILE B CA 4141 C C . ILE B 142 ? 0.1365 0.1384 0.1448 -0.0161 0.0297 0.0353 222 ILE B C 4142 O O . ILE B 142 ? 0.1545 0.1432 0.1602 -0.0110 0.0181 0.0418 222 ILE B O 4143 C CB . ILE B 142 ? 0.1607 0.1781 0.1439 -0.0371 0.0194 0.0614 222 ILE B CB 4144 C CG1 . ILE B 142 ? 0.1914 0.2250 0.1388 -0.0051 0.0366 0.0304 222 ILE B CG1 4145 C CG2 . ILE B 142 ? 0.1657 0.1806 0.1997 -0.0442 0.0082 0.0533 222 ILE B CG2 4146 C CD1 . ILE B 142 ? 0.2268 0.2487 0.2032 0.0018 0.0516 0.0305 222 ILE B CD1 4147 N N . LEU B 143 ? 0.1345 0.1338 0.1067 -0.0125 0.0237 0.0232 223 LEU B N 4148 C CA . LEU B 143 ? 0.1278 0.1248 0.0973 -0.0103 0.0354 0.0354 223 LEU B CA 4149 C C . LEU B 143 ? 0.1125 0.1269 0.1215 -0.0145 0.0041 0.0160 223 LEU B C 4150 O O . LEU B 143 ? 0.1082 0.1498 0.1441 -0.0402 -0.0165 0.0194 223 LEU B O 4151 C CB . LEU B 143 ? 0.1417 0.1441 0.1188 -0.0003 0.0622 0.0255 223 LEU B CB 4152 C CG . LEU B 143 ? 0.1269 0.1412 0.0711 -0.0277 0.0420 0.0128 223 LEU B CG 4153 C CD1 . LEU B 143 ? 0.1441 0.1681 0.1030 -0.0445 -0.0175 0.0031 223 LEU B CD1 4154 C CD2 . LEU B 143 ? 0.1402 0.1402 0.1283 -0.0204 0.0628 0.0093 223 LEU B CD2 4155 N N . ARG B 144 ? 0.1234 0.1192 0.1319 -0.0109 0.0147 -0.0059 224 ARG B N 4156 C CA . ARG B 144 ? 0.1101 0.1343 0.1034 -0.0007 0.0238 0.0215 224 ARG B CA 4157 C C . ARG B 144 ? 0.1093 0.1215 0.1257 -0.0206 -0.0111 0.0443 224 ARG B C 4158 O O . ARG B 144 ? 0.1433 0.1347 0.1363 -0.0182 -0.0219 0.0084 224 ARG B O 4159 C CB . ARG B 144 ? 0.0806 0.1673 0.1118 0.0008 0.0350 0.0143 224 ARG B CB 4160 C CG . ARG B 144 ? 0.0799 0.1752 0.1450 -0.0079 0.0737 0.0167 224 ARG B CG 4161 C CD . ARG B 144 ? 0.0923 0.1725 0.1476 -0.0139 0.0744 0.0435 224 ARG B CD 4162 N NE . ARG B 144 ? 0.1219 0.1641 0.1410 -0.0157 0.0416 0.0469 224 ARG B NE 4163 C CZ . ARG B 144 ? 0.1119 0.1434 0.1577 -0.0137 -0.0105 0.0274 224 ARG B CZ 4164 N NH1 . ARG B 144 ? 0.1168 0.1542 0.1638 -0.0144 0.0071 0.0347 224 ARG B NH1 4165 N NH2 . ARG B 144 ? 0.1194 0.1479 0.1948 -0.0084 -0.0143 0.0364 224 ARG B NH2 4166 N N . THR B 145 ? 0.1138 0.1120 0.1335 -0.0298 -0.0094 0.0257 225 THR B N 4167 C CA . THR B 145 ? 0.1240 0.1148 0.1651 -0.0156 -0.0035 0.0356 225 THR B CA 4168 C C . THR B 145 ? 0.1348 0.1152 0.1497 -0.0097 0.0002 0.0007 225 THR B C 4169 O O . THR B 145 ? 0.1406 0.1291 0.1442 -0.0024 0.0207 0.0171 225 THR B O 4170 C CB . THR B 145 ? 0.1098 0.1476 0.1136 -0.0140 -0.0209 0.0277 225 THR B CB 4171 O OG1 . THR B 145 ? 0.1393 0.1641 0.1073 -0.0270 -0.0010 0.0307 225 THR B OG1 4172 C CG2 . THR B 145 ? 0.1058 0.1698 0.1812 -0.0348 -0.0492 0.0435 225 THR B CG2 4173 N N . GLN B 146 ? 0.1189 0.0809 0.1709 -0.0016 -0.0061 0.0295 226 GLN B N 4174 C CA . GLN B 146 ? 0.1358 0.0908 0.1010 0.0097 -0.0250 0.0204 226 GLN B CA 4175 C C . GLN B 146 ? 0.1420 0.1111 0.1008 -0.0031 -0.0074 0.0063 226 GLN B C 4176 O O . GLN B 146 ? 0.1092 0.1381 0.1200 -0.0048 -0.0091 0.0038 226 GLN B O 4177 C CB . GLN B 146 ? 0.1696 0.1055 0.0805 -0.0002 -0.0065 0.0098 226 GLN B CB 4178 C CG . GLN B 146 ? 0.1712 0.1136 0.0915 0.0056 -0.0198 -0.0421 226 GLN B CG 4179 C CD . GLN B 146 ? 0.1797 0.1235 0.1216 -0.0204 -0.0095 -0.0020 226 GLN B CD 4180 O OE1 . GLN B 146 ? 0.1845 0.1296 0.1526 -0.0204 -0.0078 0.0047 226 GLN B OE1 4181 N NE2 . GLN B 146 ? 0.2035 0.1480 0.1383 -0.0274 -0.0187 -0.0093 226 GLN B NE2 4182 N N . GLU B 147 ? 0.1484 0.1156 0.0944 -0.0113 -0.0248 0.0137 227 GLU B N 4183 C CA . GLU B 147 ? 0.1560 0.1233 0.0878 -0.0136 -0.0155 -0.0077 227 GLU B CA 4184 C C . GLU B 147 ? 0.1453 0.1044 0.0682 -0.0121 -0.0199 -0.0313 227 GLU B C 4185 O O . GLU B 147 ? 0.1373 0.0986 0.1159 -0.0056 -0.0003 -0.0155 227 GLU B O 4186 C CB . GLU B 147 ? 0.1508 0.1298 0.0840 -0.0249 -0.0014 0.0036 227 GLU B CB 4187 C CG . GLU B 147 ? 0.1660 0.1379 0.1416 -0.0067 0.0116 0.0384 227 GLU B CG 4188 C CD . GLU B 147 ? 0.1686 0.1661 0.1581 -0.0174 -0.0106 0.0356 227 GLU B CD 4189 O OE1 . GLU B 147 ? 0.1789 0.1826 0.1687 -0.0121 -0.0103 0.0163 227 GLU B OE1 4190 O OE2 . GLU B 147 ? 0.1702 0.1591 0.1996 -0.0002 0.0152 0.0363 227 GLU B OE2 4191 N N . SER B 148 ? 0.1495 0.1193 0.0871 -0.0439 -0.0051 0.0084 228 SER B N 4192 C CA . SER B 148 ? 0.1227 0.1285 0.1249 -0.0123 0.0203 0.0117 228 SER B CA 4193 C C . SER B 148 ? 0.1401 0.1111 0.0959 -0.0115 -0.0114 0.0261 228 SER B C 4194 O O . SER B 148 ? 0.1680 0.1316 0.1359 -0.0001 0.0006 0.0223 228 SER B O 4195 C CB . SER B 148 ? 0.1224 0.1600 0.1548 -0.0225 -0.0024 -0.0210 228 SER B CB 4196 O OG . SER B 148 ? 0.1120 0.1690 0.1551 -0.0417 -0.0095 0.0132 228 SER B OG 4197 N N A SER B 149 ? 0.1388 0.1097 0.0586 -0.0027 -0.0013 0.0213 229 SER B N 4198 N N B SER B 149 ? 0.1399 0.1100 0.0715 -0.0088 0.0003 0.0141 229 SER B N 4199 C CA A SER B 149 ? 0.1309 0.1175 0.0825 -0.0121 -0.0071 0.0228 229 SER B CA 4200 C CA B SER B 149 ? 0.1374 0.1150 0.0830 -0.0185 -0.0026 0.0087 229 SER B CA 4201 C C A SER B 149 ? 0.1181 0.1220 0.1173 -0.0087 -0.0130 0.0166 229 SER B C 4202 C C B SER B 149 ? 0.1333 0.1126 0.1103 -0.0121 -0.0043 0.0110 229 SER B C 4203 O O A SER B 149 ? 0.1059 0.1534 0.1625 -0.0067 -0.0401 0.0050 229 SER B O 4204 O O B SER B 149 ? 0.1345 0.1294 0.1403 -0.0112 -0.0086 0.0071 229 SER B O 4205 C CB A SER B 149 ? 0.1309 0.1345 0.1099 -0.0029 -0.0116 0.0420 229 SER B CB 4206 C CB B SER B 149 ? 0.1399 0.1321 0.0924 -0.0164 -0.0045 0.0116 229 SER B CB 4207 O OG A SER B 149 ? 0.1102 0.1370 0.1322 -0.0132 -0.0097 0.0351 229 SER B OG 4208 O OG B SER B 149 ? 0.1347 0.1394 0.0993 -0.0228 -0.0027 -0.0019 229 SER B OG 4209 N N . CYS B 150 ? 0.1473 0.0981 0.1130 -0.0045 -0.0156 -0.0068 230 CYS B N 4210 C CA . CYS B 150 ? 0.1581 0.1089 0.1147 -0.0060 -0.0340 0.0114 230 CYS B CA 4211 C C . CYS B 150 ? 0.1555 0.1358 0.1360 -0.0309 -0.0225 0.0100 230 CYS B C 4212 O O . CYS B 150 ? 0.1662 0.1426 0.1287 -0.0220 -0.0177 0.0104 230 CYS B O 4213 C CB . CYS B 150 ? 0.1373 0.1351 0.1503 0.0006 -0.0010 0.0024 230 CYS B CB 4214 S SG . CYS B 150 ? 0.1796 0.1403 0.1510 0.0023 -0.0127 -0.0018 230 CYS B SG 4215 N N . VAL B 151 ? 0.1440 0.1536 0.0864 -0.0179 -0.0239 0.0309 231 VAL B N 4216 C CA . VAL B 151 ? 0.1279 0.1545 0.1032 -0.0234 -0.0309 0.0203 231 VAL B CA 4217 C C . VAL B 151 ? 0.1448 0.1504 0.0912 -0.0295 -0.0018 0.0208 231 VAL B C 4218 O O . VAL B 151 ? 0.1733 0.1531 0.1221 -0.0396 -0.0135 -0.0173 231 VAL B O 4219 C CB . VAL B 151 ? 0.1344 0.1755 0.1116 0.0202 -0.0325 0.0114 231 VAL B CB 4220 C CG1 . VAL B 151 ? 0.1420 0.1848 0.1346 0.0023 -0.0050 0.0440 231 VAL B CG1 4221 C CG2 . VAL B 151 ? 0.1519 0.1673 0.1696 0.0341 -0.0048 -0.0116 231 VAL B CG2 4222 N N . CYS B 152 ? 0.1314 0.1638 0.1075 -0.0335 -0.0087 0.0070 232 CYS B N 4223 C CA . CYS B 152 ? 0.1469 0.1914 0.1502 -0.0204 -0.0377 0.0255 232 CYS B CA 4224 C C . CYS B 152 ? 0.1819 0.1964 0.1442 -0.0208 -0.0218 0.0350 232 CYS B C 4225 O O . CYS B 152 ? 0.2088 0.1934 0.1743 -0.0293 -0.0238 0.0357 232 CYS B O 4226 C CB . CYS B 152 ? 0.1614 0.2051 0.1800 -0.0282 -0.0447 0.0228 232 CYS B CB 4227 S SG . CYS B 152 ? 0.1857 0.2010 0.1484 -0.0342 -0.0122 0.0174 232 CYS B SG 4228 N N . MET B 153 ? 0.1857 0.1880 0.0823 -0.0235 -0.0249 0.0215 233 MET B N 4229 C CA . MET B 153 ? 0.1848 0.2074 0.1073 -0.0218 -0.0244 0.0277 233 MET B CA 4230 C C . MET B 153 ? 0.1862 0.2098 0.0888 -0.0110 -0.0402 0.0427 233 MET B C 4231 O O . MET B 153 ? 0.1932 0.1884 0.1466 -0.0052 -0.0086 0.0501 233 MET B O 4232 C CB . MET B 153 ? 0.1849 0.2451 0.1789 -0.0035 -0.0245 0.0301 233 MET B CB 4233 C CG . MET B 153 ? 0.1908 0.2678 0.1851 -0.0097 -0.0326 0.0204 233 MET B CG 4234 S SD . MET B 153 ? 0.1974 0.2789 0.2268 -0.0199 -0.0269 0.0452 233 MET B SD 4235 C CE . MET B 153 ? 0.2128 0.2877 0.2702 -0.0105 -0.0224 0.0436 233 MET B CE 4236 N N . ASN B 154 ? 0.1901 0.2320 0.1118 -0.0032 -0.0337 0.0480 234 ASN B N 4237 C CA . ASN B 154 ? 0.2254 0.2504 0.1496 0.0174 -0.0284 0.0293 234 ASN B CA 4238 C C . ASN B 154 ? 0.2110 0.2445 0.1589 0.0071 -0.0120 0.0451 234 ASN B C 4239 O O . ASN B 154 ? 0.2374 0.2646 0.1796 0.0227 0.0146 0.0209 234 ASN B O 4240 C CB . ASN B 154 ? 0.2473 0.2642 0.1477 0.0279 -0.0472 -0.0144 234 ASN B CB 4241 C CG . ASN B 154 ? 0.2719 0.2843 0.1939 0.0169 -0.0364 -0.0470 234 ASN B CG 4242 O OD1 . ASN B 154 ? 0.2927 0.2840 0.1790 0.0225 -0.0345 -0.0402 234 ASN B OD1 4243 N ND2 . ASN B 154 ? 0.2847 0.2961 0.2652 0.0106 -0.0263 -0.0709 234 ASN B ND2 4244 N N . GLY B 155 ? 0.1814 0.2185 0.1320 -0.0173 -0.0105 0.0636 235 GLY B N 4245 C CA . GLY B 155 ? 0.1755 0.2055 0.1493 -0.0424 0.0060 0.0425 235 GLY B CA 4246 C C . GLY B 155 ? 0.1966 0.1980 0.1300 -0.0312 -0.0141 0.0072 235 GLY B C 4247 O O . GLY B 155 ? 0.1918 0.1963 0.1845 -0.0325 -0.0072 -0.0063 235 GLY B O 4248 N N . ASN B 156 ? 0.2003 0.2055 0.0856 -0.0296 0.0101 0.0130 236 ASN B N 4249 C CA . ASN B 156 ? 0.2001 0.2177 0.0865 -0.0272 -0.0122 0.0012 236 ASN B CA 4250 C C . ASN B 156 ? 0.1712 0.1996 0.0742 -0.0428 0.0121 0.0016 236 ASN B C 4251 O O . ASN B 156 ? 0.1723 0.2250 0.1243 -0.0313 0.0171 0.0071 236 ASN B O 4252 C CB . ASN B 156 ? 0.2139 0.2287 0.1128 -0.0342 0.0005 -0.0159 236 ASN B CB 4253 C CG . ASN B 156 ? 0.2339 0.2727 0.1319 -0.0428 -0.0301 -0.0358 236 ASN B CG 4254 O OD1 . ASN B 156 ? 0.2489 0.2957 0.1881 -0.0772 -0.0371 -0.0316 236 ASN B OD1 4255 N ND2 . ASN B 156 ? 0.2175 0.2797 0.1265 -0.0187 -0.0226 -0.0405 236 ASN B ND2 4256 N N . CYS B 157 ? 0.1650 0.1943 0.1008 -0.0585 0.0063 0.0072 237 CYS B N 4257 C CA . CYS B 157 ? 0.1671 0.1732 0.1051 -0.0599 0.0074 -0.0099 237 CYS B CA 4258 C C . CYS B 157 ? 0.1599 0.1526 0.1325 -0.0377 0.0298 0.0237 237 CYS B C 4259 O O . CYS B 157 ? 0.1884 0.1525 0.1818 -0.0163 0.0517 0.0241 237 CYS B O 4260 C CB . CYS B 157 ? 0.1667 0.1814 0.1341 -0.0694 -0.0021 -0.0017 237 CYS B CB 4261 S SG . CYS B 157 ? 0.1774 0.2155 0.1793 -0.0595 0.0188 -0.0110 237 CYS B SG 4262 N N . TYR B 158 ? 0.1341 0.1387 0.0700 -0.0385 0.0040 0.0172 238 TYR B N 4263 C CA . TYR B 158 ? 0.1256 0.1493 0.0706 -0.0302 -0.0168 0.0349 238 TYR B CA 4264 C C . TYR B 158 ? 0.1436 0.1308 0.0831 -0.0523 0.0008 0.0319 238 TYR B C 4265 O O . TYR B 158 ? 0.1498 0.1322 0.1329 -0.0548 -0.0129 -0.0106 238 TYR B O 4266 C CB . TYR B 158 ? 0.1320 0.1855 0.0828 -0.0223 -0.0455 0.0276 238 TYR B CB 4267 C CG . TYR B 158 ? 0.1535 0.1864 0.0825 -0.0444 -0.0283 0.0277 238 TYR B CG 4268 C CD1 . TYR B 158 ? 0.1718 0.2016 0.1446 -0.0759 -0.0376 -0.0101 238 TYR B CD1 4269 C CD2 . TYR B 158 ? 0.1670 0.1978 0.0768 -0.0258 -0.0149 0.0221 238 TYR B CD2 4270 C CE1 . TYR B 158 ? 0.1902 0.2084 0.1217 -0.0757 -0.0160 0.0297 238 TYR B CE1 4271 C CE2 . TYR B 158 ? 0.1842 0.2122 0.1328 -0.0332 -0.0436 -0.0029 238 TYR B CE2 4272 C CZ . TYR B 158 ? 0.1958 0.2201 0.1084 -0.0639 -0.0265 0.0070 238 TYR B CZ 4273 O OH . TYR B 158 ? 0.2102 0.2516 0.1390 -0.0653 -0.0249 -0.0104 238 TYR B OH 4274 N N . TRP B 159 ? 0.1598 0.1470 0.0871 -0.0387 0.0124 0.0107 239 TRP B N 4275 C CA . TRP B 159 ? 0.1509 0.1334 0.0892 -0.0531 -0.0104 -0.0127 239 TRP B CA 4276 C C . TRP B 159 ? 0.1497 0.1258 0.0894 -0.0438 0.0015 -0.0206 239 TRP B C 4277 O O . TRP B 159 ? 0.1826 0.1285 0.1067 -0.0567 0.0080 -0.0137 239 TRP B O 4278 C CB . TRP B 159 ? 0.1385 0.1469 0.1313 -0.0399 -0.0396 -0.0010 239 TRP B CB 4279 C CG . TRP B 159 ? 0.1447 0.1325 0.1159 -0.0172 -0.0202 0.0043 239 TRP B CG 4280 C CD1 . TRP B 159 ? 0.1385 0.1039 0.1291 0.0039 -0.0032 0.0204 239 TRP B CD1 4281 C CD2 . TRP B 159 ? 0.1435 0.1532 0.1241 -0.0098 -0.0135 -0.0032 239 TRP B CD2 4282 N NE1 . TRP B 159 ? 0.1501 0.1079 0.1627 0.0049 -0.0032 0.0367 239 TRP B NE1 4283 C CE2 . TRP B 159 ? 0.1448 0.1369 0.1319 -0.0047 0.0030 -0.0055 239 TRP B CE2 4284 C CE3 . TRP B 159 ? 0.1546 0.1838 0.1652 -0.0015 0.0077 -0.0019 239 TRP B CE3 4285 C CZ2 . TRP B 159 ? 0.1661 0.1714 0.1640 -0.0094 0.0022 -0.0039 239 TRP B CZ2 4286 C CZ3 . TRP B 159 ? 0.1798 0.1943 0.1526 0.0102 0.0124 0.0119 239 TRP B CZ3 4287 C CH2 . TRP B 159 ? 0.1792 0.1902 0.1733 -0.0029 0.0168 0.0157 239 TRP B CH2 4288 N N . VAL B 160 ? 0.1286 0.1377 0.0965 -0.0462 -0.0019 0.0286 240 VAL B N 4289 C CA . VAL B 160 ? 0.1136 0.1265 0.1159 -0.0192 -0.0014 0.0177 240 VAL B CA 4290 C C . VAL B 160 ? 0.1324 0.1163 0.1012 -0.0120 0.0087 0.0196 240 VAL B C 4291 O O . VAL B 160 ? 0.1460 0.1249 0.0976 0.0002 -0.0229 0.0215 240 VAL B O 4292 C CB . VAL B 160 ? 0.0981 0.1518 0.1356 0.0018 0.0025 0.0467 240 VAL B CB 4293 C CG1 . VAL B 160 ? 0.1182 0.1554 0.1989 -0.0125 0.0146 0.0677 240 VAL B CG1 4294 C CG2 . VAL B 160 ? 0.1218 0.1840 0.1618 0.0074 -0.0063 0.0593 240 VAL B CG2 4295 N N . MET B 161 ? 0.1381 0.1184 0.0987 -0.0162 0.0058 0.0455 241 MET B N 4296 C CA . MET B 161 ? 0.1344 0.1461 0.1109 -0.0162 0.0197 0.0237 241 MET B CA 4297 C C . MET B 161 ? 0.1236 0.1482 0.1150 -0.0215 -0.0113 0.0223 241 MET B C 4298 O O . MET B 161 ? 0.1341 0.1606 0.1214 -0.0393 -0.0062 0.0227 241 MET B O 4299 C CB . MET B 161 ? 0.1232 0.1638 0.1171 -0.0173 0.0304 0.0220 241 MET B CB 4300 C CG . MET B 161 ? 0.1239 0.1892 0.1837 -0.0158 0.0422 0.0560 241 MET B CG 4301 S SD . MET B 161 ? 0.1651 0.2261 0.2352 -0.0071 0.0418 0.0689 241 MET B SD 4302 C CE . MET B 161 ? 0.1385 0.1960 0.1811 -0.0750 0.0129 -0.0491 241 MET B CE 4303 N N . THR B 162 ? 0.1173 0.1395 0.0965 -0.0207 0.0235 0.0294 242 THR B N 4304 C CA . THR B 162 ? 0.1117 0.1218 0.1042 -0.0008 0.0044 0.0233 242 THR B CA 4305 C C . THR B 162 ? 0.1175 0.1148 0.1227 -0.0038 0.0019 0.0294 242 THR B C 4306 O O . THR B 162 ? 0.1168 0.1271 0.1490 -0.0066 -0.0172 0.0350 242 THR B O 4307 C CB . THR B 162 ? 0.1171 0.1292 0.1328 -0.0007 0.0311 0.0349 242 THR B CB 4308 O OG1 . THR B 162 ? 0.1366 0.1504 0.1523 0.0192 0.0015 0.0291 242 THR B OG1 4309 C CG2 . THR B 162 ? 0.1426 0.1456 0.1618 0.0048 0.0348 0.0290 242 THR B CG2 4310 N N . ASP B 163 ? 0.1051 0.1139 0.1169 -0.0030 0.0047 0.0239 243 ASP B N 4311 C CA . ASP B 163 ? 0.1255 0.1247 0.1363 -0.0110 0.0141 0.0201 243 ASP B CA 4312 C C . ASP B 163 ? 0.1257 0.1405 0.1406 -0.0192 -0.0009 -0.0001 243 ASP B C 4313 O O . ASP B 163 ? 0.1153 0.1695 0.1398 -0.0203 -0.0068 0.0321 243 ASP B O 4314 C CB . ASP B 163 ? 0.1241 0.1423 0.1310 0.0041 0.0109 0.0261 243 ASP B CB 4315 C CG . ASP B 163 ? 0.1376 0.1474 0.1686 -0.0168 0.0393 0.0057 243 ASP B CG 4316 O OD1 . ASP B 163 ? 0.1470 0.1571 0.1762 -0.0099 0.0247 0.0198 243 ASP B OD1 4317 O OD2 . ASP B 163 ? 0.1651 0.1421 0.1963 -0.0038 0.0183 0.0064 243 ASP B OD2 4318 N N . GLY B 164 ? 0.1367 0.1520 0.1332 -0.0177 0.0425 -0.0115 244 GLY B N 4319 C CA . GLY B 164 ? 0.1242 0.1729 0.0844 -0.0127 0.0526 0.0282 244 GLY B CA 4320 C C . GLY B 164 ? 0.1405 0.1688 0.1288 -0.0256 0.0354 0.0392 244 GLY B C 4321 O O . GLY B 164 ? 0.1608 0.1651 0.1399 -0.0422 0.0324 0.0174 244 GLY B O 4322 N N . PRO B 165 ? 0.1279 0.1702 0.1432 -0.0267 0.0203 0.0258 245 PRO B N 4323 C CA . PRO B 165 ? 0.1442 0.1756 0.1439 -0.0276 0.0374 0.0187 245 PRO B CA 4324 C C . PRO B 165 ? 0.1569 0.1925 0.1485 -0.0305 0.0296 0.0051 245 PRO B C 4325 O O . PRO B 165 ? 0.1455 0.1765 0.1963 -0.0147 0.0094 0.0123 245 PRO B O 4326 C CB . PRO B 165 ? 0.1692 0.1870 0.2140 -0.0409 0.0679 0.0292 245 PRO B CB 4327 C CG . PRO B 165 ? 0.1677 0.1835 0.1882 -0.0318 0.0513 0.0112 245 PRO B CG 4328 C CD . PRO B 165 ? 0.1332 0.1756 0.1706 -0.0302 0.0370 0.0489 245 PRO B CD 4329 N N . ALA B 166 ? 0.1651 0.1987 0.1879 -0.0283 0.0427 -0.0056 246 ALA B N 4330 C CA . ALA B 166 ? 0.1713 0.2099 0.1942 -0.0247 0.0129 -0.0131 246 ALA B CA 4331 C C . ALA B 166 ? 0.1890 0.2182 0.1412 -0.0032 0.0291 0.0055 246 ALA B C 4332 O O . ALA B 166 ? 0.2414 0.2089 0.1795 -0.0148 0.0374 0.0309 246 ALA B O 4333 C CB . ALA B 166 ? 0.1838 0.2475 0.2729 -0.0152 0.0200 -0.0231 246 ALA B CB 4334 N N . ASN B 167 ? 0.1679 0.2217 0.1325 -0.0314 0.0292 0.0137 247 ASN B N 4335 C CA . ASN B 167 ? 0.1742 0.2452 0.1662 -0.0070 0.0315 0.0029 247 ASN B CA 4336 C C . ASN B 167 ? 0.1412 0.2190 0.1734 0.0021 0.0144 0.0216 247 ASN B C 4337 O O . ASN B 167 ? 0.1142 0.2366 0.1683 0.0067 0.0265 0.0167 247 ASN B O 4338 C CB . ASN B 167 ? 0.2244 0.2927 0.1853 -0.0532 0.0836 0.0071 247 ASN B CB 4339 C CG . ASN B 167 ? 0.2629 0.3283 0.2351 -0.0603 0.0639 0.0459 247 ASN B CG 4340 O OD1 . ASN B 167 ? 0.2694 0.3455 0.2209 -0.0918 0.0039 0.0966 247 ASN B OD1 4341 N ND2 . ASN B 167 ? 0.2782 0.3135 0.2563 -0.0410 0.0615 0.0733 247 ASN B ND2 4342 N N . SER B 168 ? 0.1583 0.2040 0.1557 -0.0319 -0.0033 0.0175 248 SER B N 4343 C CA . SER B 168 ? 0.1609 0.1845 0.1477 -0.0242 0.0241 0.0543 248 SER B CA 4344 C C . SER B 168 ? 0.1639 0.1848 0.1542 -0.0156 0.0099 0.0137 248 SER B C 4345 O O . SER B 168 ? 0.1561 0.1805 0.1827 -0.0214 0.0272 0.0324 248 SER B O 4346 C CB . SER B 168 ? 0.1580 0.2059 0.1789 -0.0083 0.0345 0.0486 248 SER B CB 4347 O OG . SER B 168 ? 0.1753 0.2058 0.2051 -0.0036 0.0265 0.0487 248 SER B OG 4348 N N . GLN B 169 ? 0.1686 0.1900 0.1537 -0.0155 0.0146 0.0326 249 GLN B N 4349 C CA . GLN B 169 ? 0.1510 0.1861 0.1587 -0.0235 0.0129 0.0191 249 GLN B CA 4350 C C . GLN B 169 ? 0.1391 0.1594 0.1680 -0.0290 0.0124 0.0415 249 GLN B C 4351 O O . GLN B 169 ? 0.1537 0.1639 0.1932 -0.0192 0.0146 0.0420 249 GLN B O 4352 C CB . GLN B 169 ? 0.1643 0.1748 0.1475 -0.0354 -0.0185 0.0133 249 GLN B CB 4353 C CG . GLN B 169 ? 0.1464 0.1754 0.1472 -0.0292 -0.0321 0.0068 249 GLN B CG 4354 C CD . GLN B 169 ? 0.1521 0.1549 0.1770 -0.0528 0.0084 0.0352 249 GLN B CD 4355 O OE1 . GLN B 169 ? 0.1697 0.1668 0.1989 -0.0354 -0.0024 0.0174 249 GLN B OE1 4356 N NE2 . GLN B 169 ? 0.1573 0.1594 0.2061 -0.0530 0.0009 0.0299 249 GLN B NE2 4357 N N . ALA B 170 ? 0.1305 0.1473 0.1257 -0.0530 0.0176 0.0164 250 ALA B N 4358 C CA . ALA B 170 ? 0.1347 0.1532 0.1353 -0.0622 0.0036 -0.0078 250 ALA B CA 4359 C C . ALA B 170 ? 0.1269 0.1774 0.1428 -0.0442 -0.0300 0.0156 250 ALA B C 4360 O O . ALA B 170 ? 0.0932 0.1953 0.1697 -0.0331 -0.0245 0.0229 250 ALA B O 4361 C CB . ALA B 170 ? 0.1307 0.1504 0.1583 -0.0351 -0.0007 0.0071 250 ALA B CB 4362 N N . SER B 171 ? 0.1560 0.1583 0.1462 -0.0430 0.0066 0.0141 251 SER B N 4363 C CA . SER B 171 ? 0.1628 0.1458 0.1469 -0.0469 -0.0189 -0.0099 251 SER B CA 4364 C C . SER B 171 ? 0.1492 0.1440 0.1317 -0.0421 -0.0134 0.0130 251 SER B C 4365 O O . SER B 171 ? 0.1415 0.1571 0.1278 -0.0314 -0.0139 0.0126 251 SER B O 4366 C CB . SER B 171 ? 0.1925 0.1472 0.1339 -0.0270 0.0052 -0.0153 251 SER B CB 4367 O OG . SER B 171 ? 0.2217 0.1644 0.1847 -0.0358 0.0117 -0.0197 251 SER B OG 4368 N N . TYR B 172 ? 0.1508 0.1421 0.1171 -0.0423 0.0039 0.0280 252 TYR B N 4369 C CA . TYR B 172 ? 0.1592 0.1501 0.1262 -0.0005 0.0257 0.0145 252 TYR B CA 4370 C C . TYR B 172 ? 0.1610 0.1636 0.1143 -0.0102 -0.0011 0.0191 252 TYR B C 4371 O O . TYR B 172 ? 0.1641 0.1725 0.1543 -0.0354 -0.0350 -0.0017 252 TYR B O 4372 C CB . TYR B 172 ? 0.1594 0.1554 0.1366 0.0074 0.0099 0.0258 252 TYR B CB 4373 C CG . TYR B 172 ? 0.1542 0.1254 0.1543 -0.0182 -0.0057 0.0292 252 TYR B CG 4374 C CD1 . TYR B 172 ? 0.1608 0.1165 0.1481 0.0027 -0.0221 0.0161 252 TYR B CD1 4375 C CD2 . TYR B 172 ? 0.1516 0.1273 0.1746 -0.0295 -0.0038 0.0130 252 TYR B CD2 4376 C CE1 . TYR B 172 ? 0.1383 0.1162 0.1589 -0.0044 -0.0192 0.0181 252 TYR B CE1 4377 C CE2 . TYR B 172 ? 0.1592 0.1275 0.1394 -0.0255 0.0202 -0.0021 252 TYR B CE2 4378 C CZ . TYR B 172 ? 0.1549 0.1410 0.1425 -0.0135 0.0042 0.0086 252 TYR B CZ 4379 O OH . TYR B 172 ? 0.1631 0.1432 0.1432 -0.0162 -0.0002 0.0151 252 TYR B OH 4380 N N . LYS B 173 ? 0.1462 0.1352 0.1350 -0.0042 0.0159 0.0233 253 LYS B N 4381 C CA . LYS B 173 ? 0.1811 0.1072 0.1278 -0.0118 -0.0016 0.0147 253 LYS B CA 4382 C C . LYS B 173 ? 0.1720 0.1138 0.1159 -0.0245 -0.0140 0.0004 253 LYS B C 4383 O O . LYS B 173 ? 0.1867 0.1029 0.1215 -0.0327 -0.0122 -0.0092 253 LYS B O 4384 C CB . LYS B 173 ? 0.2063 0.0931 0.1891 -0.0066 -0.0222 0.0005 253 LYS B CB 4385 C CG . LYS B 173 ? 0.2260 0.0755 0.2091 0.0090 -0.0401 -0.0182 253 LYS B CG 4386 C CD . LYS B 173 ? 0.2536 0.0886 0.2281 0.0049 -0.0169 -0.0296 253 LYS B CD 4387 C CE . LYS B 173 ? 0.2925 0.1057 0.2467 0.0184 -0.0016 -0.0462 253 LYS B CE 4388 N NZ . LYS B 173 ? 0.3296 0.1323 0.2402 0.0137 0.0001 -0.0189 253 LYS B NZ 4389 N N . ILE B 174 ? 0.1556 0.1243 0.1211 -0.0234 -0.0191 0.0153 254 ILE B N 4390 C CA . ILE B 174 ? 0.1560 0.1253 0.1277 -0.0206 0.0008 0.0149 254 ILE B CA 4391 C C . ILE B 174 ? 0.1641 0.1241 0.1271 -0.0295 0.0005 0.0047 254 ILE B C 4392 O O . ILE B 174 ? 0.1646 0.1153 0.1151 -0.0457 -0.0104 -0.0071 254 ILE B O 4393 C CB . ILE B 174 ? 0.1571 0.1495 0.1336 -0.0282 0.0120 0.0614 254 ILE B CB 4394 C CG1 . ILE B 174 ? 0.1540 0.1796 0.1803 -0.0160 -0.0133 0.0288 254 ILE B CG1 4395 C CG2 . ILE B 174 ? 0.1894 0.1431 0.1856 -0.0275 0.0042 0.0491 254 ILE B CG2 4396 C CD1 . ILE B 174 ? 0.1899 0.1852 0.2155 -0.0301 -0.0539 0.0474 254 ILE B CD1 4397 N N . PHE B 175 ? 0.1440 0.1512 0.1297 -0.0297 0.0216 0.0103 255 PHE B N 4398 C CA . PHE B 175 ? 0.1556 0.1662 0.0955 -0.0323 -0.0157 0.0239 255 PHE B CA 4399 C C . PHE B 175 ? 0.1565 0.1520 0.1117 -0.0339 0.0105 0.0081 255 PHE B C 4400 O O . PHE B 175 ? 0.1741 0.1464 0.1484 -0.0253 0.0143 0.0021 255 PHE B O 4401 C CB . PHE B 175 ? 0.1530 0.1871 0.1338 -0.0405 -0.0181 0.0527 255 PHE B CB 4402 C CG . PHE B 175 ? 0.1568 0.1922 0.0879 -0.0549 -0.0105 0.0657 255 PHE B CG 4403 C CD1 . PHE B 175 ? 0.1712 0.2021 0.1652 -0.0340 -0.0022 0.0300 255 PHE B CD1 4404 C CD2 . PHE B 175 ? 0.1551 0.2184 0.0780 -0.0523 -0.0277 0.0168 255 PHE B CD2 4405 C CE1 . PHE B 175 ? 0.1871 0.2165 0.1721 -0.0367 -0.0065 0.0188 255 PHE B CE1 4406 C CE2 . PHE B 175 ? 0.1673 0.2165 0.1349 -0.0387 -0.0352 0.0239 255 PHE B CE2 4407 C CZ . PHE B 175 ? 0.1775 0.2276 0.1840 -0.0510 -0.0286 0.0044 255 PHE B CZ 4408 N N . LYS B 176 ? 0.1666 0.1691 0.0848 -0.0427 0.0238 0.0009 256 LYS B N 4409 C CA . LYS B 176 ? 0.1766 0.1701 0.1141 -0.0383 0.0176 0.0037 256 LYS B CA 4410 C C . LYS B 176 ? 0.1714 0.1499 0.1412 -0.0514 0.0021 0.0141 256 LYS B C 4411 O O . LYS B 176 ? 0.1850 0.1477 0.1741 -0.0471 0.0259 0.0044 256 LYS B O 4412 C CB . LYS B 176 ? 0.1686 0.1901 0.0875 -0.0311 0.0021 -0.0090 256 LYS B CB 4413 C CG . LYS B 176 ? 0.1848 0.2222 0.0865 -0.0321 -0.0072 -0.0189 256 LYS B CG 4414 C CD . LYS B 176 ? 0.1973 0.2558 0.0725 -0.0535 -0.0074 -0.0032 256 LYS B CD 4415 C CE . LYS B 176 ? 0.2185 0.2887 0.0959 -0.0694 -0.0147 0.0110 256 LYS B CE 4416 N NZ . LYS B 176 ? 0.2419 0.3297 0.1891 -0.0885 -0.0228 0.0157 256 LYS B NZ 4417 N N . SER B 177 ? 0.1528 0.1490 0.1166 -0.0518 0.0090 0.0199 257 SER B N 4418 C CA . SER B 177 ? 0.1562 0.1400 0.1030 -0.0474 0.0093 -0.0077 257 SER B CA 4419 C C . SER B 177 ? 0.1700 0.1584 0.1006 -0.0562 0.0239 -0.0114 257 SER B C 4420 O O . SER B 177 ? 0.1814 0.1793 0.1309 -0.0380 0.0127 -0.0088 257 SER B O 4421 C CB . SER B 177 ? 0.1719 0.1223 0.1158 -0.0539 -0.0071 0.0154 257 SER B CB 4422 O OG . SER B 177 ? 0.1767 0.1436 0.1669 -0.0821 -0.0100 0.0165 257 SER B OG 4423 N N . HIS B 178 ? 0.1679 0.1593 0.0853 -0.0489 0.0393 -0.0143 258 HIS B N 4424 C CA . HIS B 178 ? 0.1922 0.1825 0.0583 -0.0536 0.0409 -0.0033 258 HIS B CA 4425 C C . HIS B 178 ? 0.1806 0.1856 0.1469 -0.0354 0.0342 -0.0012 258 HIS B C 4426 O O . HIS B 178 ? 0.2119 0.1782 0.1356 -0.0459 0.0255 0.0002 258 HIS B O 4427 C CB . HIS B 178 ? 0.2233 0.1909 0.0647 -0.0476 0.0249 0.0034 258 HIS B CB 4428 C CG . HIS B 178 ? 0.2577 0.2099 0.1144 -0.0280 0.0332 -0.0008 258 HIS B CG 4429 N ND1 . HIS B 178 ? 0.2687 0.2212 0.1468 -0.0251 0.0396 0.0078 258 HIS B ND1 4430 C CD2 . HIS B 178 ? 0.2828 0.2177 0.1294 -0.0299 0.0367 0.0336 258 HIS B CD2 4431 C CE1 . HIS B 178 ? 0.2845 0.2235 0.1469 0.0104 0.0159 0.0315 258 HIS B CE1 4432 N NE2 . HIS B 178 ? 0.2971 0.2240 0.1696 -0.0055 0.0335 0.0276 258 HIS B NE2 4433 N N . GLU B 179 ? 0.1555 0.1942 0.1743 -0.0380 0.0066 0.0126 259 GLU B N 4434 C CA . GLU B 179 ? 0.1779 0.2113 0.1780 -0.0306 0.0556 0.0034 259 GLU B CA 4435 C C . GLU B 179 ? 0.1771 0.1938 0.1539 -0.0307 0.0208 -0.0011 259 GLU B C 4436 O O . GLU B 179 ? 0.1812 0.2037 0.1789 -0.0533 0.0151 0.0008 259 GLU B O 4437 C CB . GLU B 179 ? 0.2221 0.2497 0.2134 -0.0342 0.0648 0.0258 259 GLU B CB 4438 C CG . GLU B 179 ? 0.2581 0.2893 0.2299 -0.0289 0.0955 0.0473 259 GLU B CG 4439 C CD . GLU B 179 ? 0.3038 0.3370 0.3064 -0.0318 0.0947 0.0506 259 GLU B CD 4440 O OE1 . GLU B 179 ? 0.3212 0.3346 0.3160 0.0041 0.0783 0.0015 259 GLU B OE1 4441 O OE2 . GLU B 179 ? 0.3227 0.3803 0.3556 -0.0535 0.1098 0.0516 259 GLU B OE2 4442 N N . GLY B 180 ? 0.1856 0.1590 0.1184 -0.0223 -0.0133 -0.0122 260 GLY B N 4443 C CA . GLY B 180 ? 0.1963 0.1615 0.1253 -0.0197 -0.0577 0.0184 260 GLY B CA 4444 C C . GLY B 180 ? 0.1911 0.1580 0.1158 -0.0476 -0.0480 0.0122 260 GLY B C 4445 O O . GLY B 180 ? 0.2072 0.1425 0.1304 -0.0328 -0.0277 -0.0125 260 GLY B O 4446 N N . MET B 181 ? 0.1785 0.1670 0.1525 -0.0815 -0.0276 -0.0012 261 MET B N 4447 C CA . MET B 181 ? 0.1860 0.1770 0.1340 -0.0492 -0.0123 -0.0290 261 MET B CA 4448 C C . MET B 181 ? 0.1792 0.1873 0.1259 -0.0296 -0.0176 -0.0207 261 MET B C 4449 O O . MET B 181 ? 0.1766 0.1797 0.1390 -0.0018 -0.0173 0.0130 261 MET B O 4450 C CB . MET B 181 ? 0.2031 0.2039 0.1792 -0.0479 -0.0043 -0.0379 261 MET B CB 4451 C CG . MET B 181 ? 0.1957 0.2425 0.1976 -0.0320 -0.0125 -0.0632 261 MET B CG 4452 S SD . MET B 181 ? 0.2095 0.2664 0.2778 -0.0207 -0.0123 -0.0638 261 MET B SD 4453 C CE . MET B 181 ? 0.2112 0.2620 0.2961 -0.0377 -0.0150 -0.0872 261 MET B CE 4454 N N . VAL B 182 ? 0.1790 0.1807 0.1076 -0.0315 -0.0243 0.0144 262 VAL B N 4455 C CA . VAL B 182 ? 0.1872 0.1949 0.1415 -0.0414 -0.0085 -0.0063 262 VAL B CA 4456 C C . VAL B 182 ? 0.1866 0.1905 0.1854 -0.0340 -0.0236 -0.0349 262 VAL B C 4457 O O . VAL B 182 ? 0.1900 0.1905 0.2154 -0.0155 -0.0004 -0.0492 262 VAL B O 4458 C CB . VAL B 182 ? 0.2240 0.2263 0.1543 -0.0485 0.0165 0.0094 262 VAL B CB 4459 C CG1 . VAL B 182 ? 0.2165 0.2454 0.2061 -0.0423 0.0331 0.0393 262 VAL B CG1 4460 C CG2 . VAL B 182 ? 0.2465 0.2350 0.1278 -0.0410 0.0229 0.0055 262 VAL B CG2 4461 N N . THR B 183 ? 0.1692 0.1817 0.1842 -0.0336 -0.0320 -0.0340 263 THR B N 4462 C CA . THR B 183 ? 0.1810 0.2019 0.1495 -0.0351 0.0051 -0.0258 263 THR B CA 4463 C C . THR B 183 ? 0.1985 0.1970 0.1182 -0.0422 0.0258 -0.0432 263 THR B C 4464 O O . THR B 183 ? 0.2169 0.2218 0.1668 -0.0583 0.0155 -0.0869 263 THR B O 4465 C CB . THR B 183 ? 0.1872 0.2204 0.1689 -0.0583 0.0123 0.0028 263 THR B CB 4466 O OG1 . THR B 183 ? 0.2218 0.2200 0.1938 -0.0404 0.0114 0.0324 263 THR B OG1 4467 C CG2 . THR B 183 ? 0.1691 0.2289 0.1836 -0.0843 0.0086 -0.0092 263 THR B CG2 4468 N N . ASN B 184 ? 0.1932 0.1853 0.1573 -0.0472 0.0303 -0.0357 264 ASN B N 4469 C CA . ASN B 184 ? 0.1934 0.1850 0.1284 -0.0249 0.0128 -0.0010 264 ASN B CA 4470 C C . ASN B 184 ? 0.1771 0.1522 0.1603 -0.0176 0.0326 -0.0140 264 ASN B C 4471 O O . ASN B 184 ? 0.1771 0.1165 0.1934 -0.0325 0.0237 -0.0069 264 ASN B O 4472 C CB . ASN B 184 ? 0.2003 0.1772 0.1608 -0.0218 -0.0396 -0.0205 264 ASN B CB 4473 C CG . ASN B 184 ? 0.2118 0.1828 0.1622 -0.0163 -0.0454 -0.0157 264 ASN B CG 4474 O OD1 . ASN B 184 ? 0.2116 0.1905 0.1649 -0.0430 -0.0381 0.0059 264 ASN B OD1 4475 N ND2 . ASN B 184 ? 0.2171 0.1903 0.2207 -0.0162 -0.0240 -0.0455 264 ASN B ND2 4476 N N . GLU B 185 ? 0.1715 0.1457 0.1592 -0.0285 0.0105 -0.0114 265 GLU B N 4477 C CA . GLU B 185 ? 0.1844 0.1747 0.1636 -0.0296 -0.0044 -0.0099 265 GLU B CA 4478 C C . GLU B 185 ? 0.1749 0.1669 0.1690 -0.0625 0.0056 -0.0230 265 GLU B C 4479 O O . GLU B 185 ? 0.1912 0.1811 0.1749 -0.0698 -0.0127 -0.0490 265 GLU B O 4480 C CB . GLU B 185 ? 0.2173 0.1768 0.1804 -0.0207 -0.0138 0.0047 265 GLU B CB 4481 C CG . GLU B 185 ? 0.2582 0.2033 0.2524 -0.0084 -0.0348 0.0261 265 GLU B CG 4482 C CD . GLU B 185 ? 0.2930 0.2327 0.2876 -0.0263 -0.0452 0.0027 265 GLU B CD 4483 O OE1 . GLU B 185 ? 0.2993 0.2418 0.3306 -0.0241 -0.0946 -0.0016 265 GLU B OE1 4484 O OE2 . GLU B 185 ? 0.3205 0.2681 0.2822 -0.0226 -0.0025 0.0021 265 GLU B OE2 4485 N N . ARG B 186 ? 0.1630 0.1545 0.1547 -0.0487 0.0132 -0.0101 266 ARG B N 4486 C CA . ARG B 186 ? 0.1657 0.1585 0.1604 -0.0603 -0.0074 0.0060 266 ARG B CA 4487 C C . ARG B 186 ? 0.1651 0.1510 0.1623 -0.0694 0.0093 -0.0052 266 ARG B C 4488 O O . ARG B 186 ? 0.1864 0.1725 0.1453 -0.0593 0.0107 -0.0195 266 ARG B O 4489 C CB . ARG B 186 ? 0.1929 0.1891 0.1559 -0.0670 0.0050 0.0149 266 ARG B CB 4490 C CG . ARG B 186 ? 0.2092 0.2138 0.1891 -0.0766 0.0012 0.0078 266 ARG B CG 4491 C CD . ARG B 186 ? 0.2265 0.2384 0.2119 -0.0958 -0.0031 0.0042 266 ARG B CD 4492 N NE . ARG B 186 ? 0.2453 0.2609 0.2298 -0.1039 -0.0045 -0.0066 266 ARG B NE 4493 C CZ . ARG B 186 ? 0.2599 0.2771 0.2565 -0.0860 -0.0102 -0.0532 266 ARG B CZ 4494 N NH1 . ARG B 186 ? 0.2664 0.2608 0.2656 -0.0820 -0.0303 -0.0693 266 ARG B NH1 4495 N NH2 . ARG B 186 ? 0.2711 0.2861 0.2685 -0.0785 0.0411 -0.0606 266 ARG B NH2 4496 N N . GLU B 187 ? 0.1479 0.1544 0.1503 -0.0749 0.0199 0.0074 267 GLU B N 4497 C CA . GLU B 187 ? 0.1633 0.1624 0.1383 -0.0601 0.0347 0.0160 267 GLU B CA 4498 C C . GLU B 187 ? 0.1677 0.1679 0.1570 -0.0583 -0.0102 -0.0062 267 GLU B C 4499 O O . GLU B 187 ? 0.1730 0.1727 0.1929 -0.0466 -0.0104 -0.0209 267 GLU B O 4500 C CB . GLU B 187 ? 0.2004 0.1831 0.2134 -0.0547 0.0344 0.0373 267 GLU B CB 4501 C CG . GLU B 187 ? 0.2364 0.1972 0.2143 -0.0304 0.0439 0.0670 267 GLU B CG 4502 C CD . GLU B 187 ? 0.2736 0.2286 0.2645 -0.0053 0.0409 0.0278 267 GLU B CD 4503 O OE1 . GLU B 187 ? 0.3145 0.2411 0.3151 0.0149 0.0616 0.0131 267 GLU B OE1 4504 O OE2 . GLU B 187 ? 0.2752 0.2416 0.2666 -0.0152 0.0192 0.0240 267 GLU B OE2 4505 N N . VAL B 188 ? 0.1704 0.1490 0.1594 -0.0285 0.0298 -0.0017 268 VAL B N 4506 C CA . VAL B 188 ? 0.1657 0.1735 0.1448 -0.0403 0.0074 0.0014 268 VAL B CA 4507 C C . VAL B 188 ? 0.1770 0.2052 0.1696 -0.0414 0.0137 0.0071 268 VAL B C 4508 O O . VAL B 188 ? 0.1823 0.2320 0.2026 -0.0448 -0.0175 0.0256 268 VAL B O 4509 C CB . VAL B 188 ? 0.1685 0.1793 0.1756 -0.0413 0.0084 -0.0117 268 VAL B CB 4510 C CG1 . VAL B 188 ? 0.1548 0.1907 0.1847 -0.0220 0.0227 -0.0111 268 VAL B CG1 4511 C CG2 . VAL B 188 ? 0.1885 0.1919 0.1799 -0.0290 0.0011 -0.0352 268 VAL B CG2 4512 N N . SER B 189 ? 0.1825 0.1856 0.1831 -0.0597 0.0113 0.0025 269 SER B N 4513 C CA . SER B 189 ? 0.1759 0.1960 0.1846 -0.0626 0.0016 0.0001 269 SER B CA 4514 C C . SER B 189 ? 0.1808 0.1864 0.1571 -0.0389 -0.0217 0.0084 269 SER B C 4515 O O . SER B 189 ? 0.1959 0.2061 0.2043 -0.0298 -0.0429 0.0423 269 SER B O 4516 C CB . SER B 189 ? 0.1947 0.2040 0.2528 -0.0903 0.0205 0.0222 269 SER B CB 4517 O OG . SER B 189 ? 0.2175 0.2367 0.3186 -0.0938 0.0473 0.0074 269 SER B OG 4518 N N . PHE B 190 ? 0.1799 0.1770 0.1619 -0.0352 0.0000 0.0225 270 PHE B N 4519 C CA . PHE B 190 ? 0.1737 0.1699 0.1492 -0.0448 0.0101 -0.0123 270 PHE B CA 4520 C C . PHE B 190 ? 0.1705 0.1895 0.2049 -0.0565 -0.0136 0.0049 270 PHE B C 4521 O O . PHE B 190 ? 0.1637 0.1972 0.1826 -0.0532 0.0021 0.0150 270 PHE B O 4522 C CB . PHE B 190 ? 0.1756 0.1465 0.1837 -0.0402 0.0164 -0.0295 270 PHE B CB 4523 C CG . PHE B 190 ? 0.1911 0.1559 0.1937 -0.0246 0.0008 0.0249 270 PHE B CG 4524 C CD1 . PHE B 190 ? 0.1794 0.1568 0.2177 -0.0202 0.0236 -0.0069 270 PHE B CD1 4525 C CD2 . PHE B 190 ? 0.2006 0.1546 0.1545 -0.0360 0.0168 0.0050 270 PHE B CD2 4526 C CE1 . PHE B 190 ? 0.1802 0.1582 0.2100 -0.0421 0.0034 -0.0011 270 PHE B CE1 4527 C CE2 . PHE B 190 ? 0.2006 0.1561 0.1719 -0.0264 0.0311 0.0117 270 PHE B CE2 4528 C CZ . PHE B 190 ? 0.1799 0.1526 0.1993 -0.0338 0.0481 0.0373 270 PHE B CZ 4529 N N . GLN B 191 ? 0.1752 0.2068 0.2211 -0.0622 0.0124 0.0053 271 GLN B N 4530 C CA . GLN B 191 ? 0.1853 0.2170 0.2122 -0.0652 0.0215 -0.0126 271 GLN B CA 4531 C C . GLN B 191 ? 0.1690 0.2142 0.1891 -0.0536 -0.0038 0.0043 271 GLN B C 4532 O O . GLN B 191 ? 0.1760 0.2513 0.2512 -0.0474 -0.0293 -0.0085 271 GLN B O 4533 C CB . GLN B 191 ? 0.2193 0.2526 0.2941 -0.0503 0.0201 -0.0519 271 GLN B CB 4534 C CG . GLN B 191 ? 0.2813 0.3104 0.4247 -0.0409 0.0190 -0.0374 271 GLN B CG 4535 C CD . GLN B 191 ? 0.3349 0.3598 0.5366 -0.0266 0.0189 -0.0229 271 GLN B CD 4536 O OE1 . GLN B 191 ? 0.3695 0.3851 0.5967 -0.0112 0.0085 -0.0228 271 GLN B OE1 4537 N NE2 . GLN B 191 ? 0.3524 0.3702 0.5568 -0.0302 0.0278 -0.0109 271 GLN B NE2 4538 N N . GLY B 192 ? 0.1598 0.1898 0.1507 -0.0496 0.0038 -0.0025 272 GLY B N 4539 C CA . GLY B 192 ? 0.1464 0.1772 0.1955 -0.0386 -0.0055 0.0099 272 GLY B CA 4540 C C . GLY B 192 ? 0.1404 0.1839 0.2053 -0.0456 -0.0155 -0.0085 272 GLY B C 4541 O O . GLY B 192 ? 0.1517 0.1979 0.2383 -0.0548 -0.0076 -0.0107 272 GLY B O 4542 N N . GLY B 193 ? 0.1338 0.1799 0.2111 -0.0470 -0.0163 0.0170 273 GLY B N 4543 C CA . GLY B 193 ? 0.1207 0.1851 0.2031 -0.0663 -0.0287 0.0094 273 GLY B CA 4544 C C . GLY B 193 ? 0.1163 0.1618 0.1756 -0.0554 -0.0094 -0.0104 273 GLY B C 4545 O O . GLY B 193 ? 0.1348 0.1792 0.1959 -0.0302 -0.0350 0.0099 273 GLY B O 4546 N N . HIS B 194 ? 0.1182 0.1690 0.1470 -0.0487 -0.0027 -0.0050 274 HIS B N 4547 C CA . HIS B 194 ? 0.1285 0.1549 0.1354 -0.0458 -0.0161 0.0253 274 HIS B CA 4548 C C . HIS B 194 ? 0.1180 0.1310 0.1687 -0.0558 0.0039 0.0169 274 HIS B C 4549 O O . HIS B 194 ? 0.1196 0.1367 0.1853 -0.0379 0.0064 0.0282 274 HIS B O 4550 C CB . HIS B 194 ? 0.1379 0.1606 0.1310 -0.0216 -0.0283 0.0087 274 HIS B CB 4551 C CG . HIS B 194 ? 0.1300 0.1509 0.1450 -0.0077 -0.0344 0.0271 274 HIS B CG 4552 N ND1 . HIS B 194 ? 0.1325 0.1558 0.1735 -0.0126 -0.0181 0.0233 274 HIS B ND1 4553 C CD2 . HIS B 194 ? 0.1324 0.1584 0.1393 -0.0032 0.0076 0.0117 274 HIS B CD2 4554 C CE1 . HIS B 194 ? 0.1496 0.1597 0.1956 -0.0304 -0.0103 0.0131 274 HIS B CE1 4555 N NE2 . HIS B 194 ? 0.1498 0.1602 0.1642 -0.0297 -0.0055 0.0007 274 HIS B NE2 4556 N N . ILE B 195 ? 0.0963 0.1219 0.1584 -0.0517 -0.0003 0.0145 275 ILE B N 4557 C CA . ILE B 195 ? 0.1336 0.1316 0.1516 -0.0318 0.0148 0.0011 275 ILE B CA 4558 C C . ILE B 195 ? 0.1163 0.1239 0.1655 -0.0108 0.0259 -0.0155 275 ILE B C 4559 O O . ILE B 195 ? 0.1372 0.1117 0.1879 -0.0005 0.0297 0.0083 275 ILE B O 4560 C CB . ILE B 195 ? 0.1597 0.1553 0.1626 -0.0482 0.0157 -0.0025 275 ILE B CB 4561 C CG1 . ILE B 195 ? 0.1765 0.1912 0.1545 -0.0275 -0.0211 0.0008 275 ILE B CG1 4562 C CG2 . ILE B 195 ? 0.1810 0.1329 0.1608 -0.0304 0.0294 -0.0005 275 ILE B CG2 4563 C CD1 . ILE B 195 ? 0.1909 0.2058 0.1532 -0.0505 -0.0354 0.0091 275 ILE B CD1 4564 N N . GLU B 196 ? 0.1086 0.1399 0.1627 -0.0341 0.0295 -0.0156 276 GLU B N 4565 C CA . GLU B 196 ? 0.1133 0.1376 0.1431 -0.0364 0.0110 0.0285 276 GLU B CA 4566 C C . GLU B 196 ? 0.1013 0.1166 0.1469 -0.0189 0.0127 0.0255 276 GLU B C 4567 O O . GLU B 196 ? 0.1275 0.1289 0.1481 -0.0056 0.0040 0.0173 276 GLU B O 4568 C CB . GLU B 196 ? 0.1388 0.1634 0.1742 -0.0670 0.0095 0.0719 276 GLU B CB 4569 C CG . GLU B 196 ? 0.1799 0.1940 0.2829 -0.0547 0.0363 0.1031 276 GLU B CG 4570 C CD . GLU B 196 ? 0.1897 0.2322 0.3485 -0.0292 0.0475 0.0725 276 GLU B CD 4571 O OE1 . GLU B 196 ? 0.2169 0.2668 0.4101 -0.0220 0.0545 0.0594 276 GLU B OE1 4572 O OE2 . GLU B 196 ? 0.1900 0.2225 0.2594 -0.0009 0.0642 0.0505 276 GLU B OE2 4573 N N . GLU B 197 ? 0.1008 0.1113 0.1513 -0.0352 0.0216 0.0182 277 GLU B N 4574 C CA . GLU B 197 ? 0.0974 0.1194 0.1076 -0.0089 -0.0347 0.0110 277 GLU B CA 4575 C C . GLU B 197 ? 0.1131 0.1381 0.1069 -0.0184 -0.0234 0.0019 277 GLU B C 4576 O O . GLU B 197 ? 0.1360 0.1341 0.1386 -0.0146 0.0030 -0.0082 277 GLU B O 4577 C CB . GLU B 197 ? 0.1260 0.1299 0.1245 -0.0253 -0.0290 0.0146 277 GLU B CB 4578 C CG . GLU B 197 ? 0.1572 0.1634 0.1129 -0.0254 -0.0225 0.0027 277 GLU B CG 4579 C CD . GLU B 197 ? 0.1579 0.1594 0.1384 -0.0267 -0.0241 0.0205 277 GLU B CD 4580 O OE1 . GLU B 197 ? 0.1579 0.1542 0.1509 -0.0401 -0.0083 0.0273 277 GLU B OE1 4581 O OE2 . GLU B 197 ? 0.1707 0.1701 0.1792 -0.0044 -0.0464 0.0276 277 GLU B OE2 4582 N N . CYS B 198 ? 0.1166 0.1319 0.0895 -0.0333 0.0118 0.0356 278 CYS B N 4583 C CA . CYS B 198 ? 0.1417 0.1202 0.0790 -0.0362 0.0124 0.0152 278 CYS B CA 4584 C C . CYS B 198 ? 0.1430 0.1226 0.1231 -0.0059 0.0215 0.0186 278 CYS B C 4585 O O . CYS B 198 ? 0.1312 0.1519 0.1505 0.0058 0.0137 0.0129 278 CYS B O 4586 C CB . CYS B 198 ? 0.1910 0.1228 0.1491 -0.0550 0.0036 -0.0026 278 CYS B CB 4587 S SG . CYS B 198 ? 0.2367 0.1654 0.1899 -0.0533 0.0131 0.0059 278 CYS B SG 4588 N N . SER B 199 ? 0.1493 0.1080 0.1321 0.0011 0.0186 0.0126 279 SER B N 4589 C CA . SER B 199 ? 0.1461 0.1278 0.1008 -0.0119 -0.0030 0.0046 279 SER B CA 4590 C C . SER B 199 ? 0.1342 0.1516 0.1068 -0.0193 -0.0201 -0.0043 279 SER B C 4591 O O . SER B 199 ? 0.0972 0.1647 0.1387 -0.0286 -0.0174 0.0033 279 SER B O 4592 C CB . SER B 199 ? 0.1387 0.1531 0.0887 0.0021 -0.0134 -0.0076 279 SER B CB 4593 O OG . SER B 199 ? 0.1574 0.1423 0.1629 -0.0186 -0.0157 0.0136 279 SER B OG 4594 N N . CYS B 200 ? 0.1439 0.1529 0.0984 -0.0180 0.0015 0.0055 280 CYS B N 4595 C CA . CYS B 200 ? 0.1586 0.1364 0.0762 -0.0192 0.0005 0.0348 280 CYS B CA 4596 C C . CYS B 200 ? 0.1619 0.1221 0.0759 -0.0288 -0.0163 0.0449 280 CYS B C 4597 O O . CYS B 200 ? 0.1638 0.1297 0.1399 -0.0219 -0.0193 0.0272 280 CYS B O 4598 C CB . CYS B 200 ? 0.1727 0.1500 0.1418 -0.0066 0.0011 0.0208 280 CYS B CB 4599 S SG . CYS B 200 ? 0.1657 0.1624 0.1544 -0.0260 -0.0021 0.0231 280 CYS B SG 4600 N N . TYR B 201 ? 0.1574 0.1207 0.0899 -0.0064 -0.0219 0.0261 281 TYR B N 4601 C CA . TYR B 201 ? 0.1616 0.1219 0.0740 -0.0044 -0.0222 0.0220 281 TYR B CA 4602 C C . TYR B 201 ? 0.1576 0.1351 0.1366 0.0011 -0.0355 0.0294 281 TYR B C 4603 O O . TYR B 201 ? 0.1749 0.1359 0.1229 -0.0016 -0.0254 0.0144 281 TYR B O 4604 C CB . TYR B 201 ? 0.1566 0.1238 0.1419 0.0025 -0.0323 -0.0080 281 TYR B CB 4605 C CG . TYR B 201 ? 0.1309 0.1407 0.1464 -0.0118 -0.0120 -0.0044 281 TYR B CG 4606 C CD1 . TYR B 201 ? 0.1140 0.1246 0.1390 -0.0250 0.0033 0.0089 281 TYR B CD1 4607 C CD2 . TYR B 201 ? 0.1350 0.1537 0.1870 0.0001 -0.0254 0.0178 281 TYR B CD2 4608 C CE1 . TYR B 201 ? 0.1055 0.1433 0.1645 -0.0307 -0.0216 0.0149 281 TYR B CE1 4609 C CE2 . TYR B 201 ? 0.1180 0.1451 0.1892 0.0044 -0.0084 0.0252 281 TYR B CE2 4610 C CZ . TYR B 201 ? 0.1047 0.1499 0.1780 -0.0149 -0.0135 0.0332 281 TYR B CZ 4611 O OH . TYR B 201 ? 0.1087 0.1541 0.2437 -0.0287 -0.0275 0.0341 281 TYR B OH 4612 N N . PRO B 202 ? 0.1423 0.1470 0.1083 -0.0245 -0.0184 0.0232 282 PRO B N 4613 C CA . PRO B 202 ? 0.1445 0.1608 0.1222 -0.0017 -0.0272 0.0447 282 PRO B CA 4614 C C . PRO B 202 ? 0.1385 0.1541 0.1302 -0.0149 -0.0347 0.0180 282 PRO B C 4615 O O . PRO B 202 ? 0.1667 0.1538 0.1490 -0.0186 -0.0330 0.0306 282 PRO B O 4616 C CB . PRO B 202 ? 0.1514 0.1835 0.1258 -0.0274 0.0074 0.0141 282 PRO B CB 4617 C CG . PRO B 202 ? 0.1772 0.2012 0.1255 -0.0446 -0.0055 0.0160 282 PRO B CG 4618 C CD . PRO B 202 ? 0.1528 0.1777 0.1341 -0.0521 -0.0084 0.0156 282 PRO B CD 4619 N N . ASN B 203 ? 0.1271 0.1513 0.1259 -0.0152 -0.0157 0.0211 283 ASN B N 4620 C CA . ASN B 203 ? 0.1474 0.1646 0.1244 -0.0033 -0.0142 0.0188 283 ASN B CA 4621 C C . ASN B 203 ? 0.1721 0.1799 0.1450 -0.0059 -0.0392 0.0140 283 ASN B C 4622 O O . ASN B 203 ? 0.1752 0.1573 0.1526 -0.0094 -0.0256 -0.0033 283 ASN B O 4623 C CB . ASN B 203 ? 0.1500 0.1471 0.1504 0.0175 -0.0073 0.0404 283 ASN B CB 4624 C CG . ASN B 203 ? 0.1493 0.1410 0.1419 0.0045 -0.0278 0.0282 283 ASN B CG 4625 O OD1 . ASN B 203 ? 0.1801 0.1390 0.1788 0.0095 -0.0601 0.0341 283 ASN B OD1 4626 N ND2 . ASN B 203 ? 0.1498 0.1437 0.1387 0.0175 -0.0033 0.0192 283 ASN B ND2 4627 N N . LEU B 204 ? 0.1891 0.2025 0.1279 -0.0121 -0.0514 0.0235 284 LEU B N 4628 C CA . LEU B 204 ? 0.2160 0.2177 0.1609 -0.0080 -0.0733 0.0123 284 LEU B CA 4629 C C . LEU B 204 ? 0.2257 0.1954 0.1608 -0.0047 -0.0674 -0.0032 284 LEU B C 4630 O O . LEU B 204 ? 0.2591 0.1935 0.1794 0.0020 -0.0749 0.0003 284 LEU B O 4631 C CB . LEU B 204 ? 0.2415 0.2617 0.1953 -0.0077 -0.1085 0.0038 284 LEU B CB 4632 C CG . LEU B 204 ? 0.2671 0.3027 0.3161 -0.0192 -0.1295 0.0193 284 LEU B CG 4633 C CD1 . LEU B 204 ? 0.2879 0.3195 0.3236 -0.0162 -0.1378 0.0554 284 LEU B CD1 4634 C CD2 . LEU B 204 ? 0.2648 0.3116 0.3438 -0.0158 -0.1484 0.0038 284 LEU B CD2 4635 N N . GLY B 205 ? 0.2070 0.1675 0.1179 0.0014 -0.0369 0.0104 285 GLY B N 4636 C CA . GLY B 205 ? 0.2121 0.1550 0.1682 0.0031 -0.0189 0.0098 285 GLY B CA 4637 C C . GLY B 205 ? 0.2129 0.1506 0.1302 0.0100 -0.0307 0.0186 285 GLY B C 4638 O O . GLY B 205 ? 0.2381 0.1561 0.1655 -0.0019 0.0022 0.0021 285 GLY B O 4639 N N . LYS B 206 ? 0.2056 0.1627 0.1426 -0.0116 -0.0522 0.0103 286 LYS B N 4640 C CA . LYS B 206 ? 0.2061 0.1815 0.1328 -0.0331 -0.0575 0.0089 286 LYS B CA 4641 C C . LYS B 206 ? 0.1963 0.1758 0.1500 -0.0175 -0.0327 0.0199 286 LYS B C 4642 O O . LYS B 206 ? 0.2104 0.1802 0.1777 -0.0078 -0.0424 0.0297 286 LYS B O 4643 C CB . LYS B 206 ? 0.2171 0.2302 0.1833 -0.0477 -0.0323 0.0126 286 LYS B CB 4644 C CG . LYS B 206 ? 0.2296 0.2852 0.1774 -0.0638 -0.0791 0.0123 286 LYS B CG 4645 C CD . LYS B 206 ? 0.2607 0.3143 0.2567 -0.0663 -0.1105 0.0306 286 LYS B CD 4646 C CE . LYS B 206 ? 0.2800 0.3390 0.3195 -0.0650 -0.1166 0.0450 286 LYS B CE 4647 N NZ . LYS B 206 ? 0.3009 0.3557 0.3791 -0.0562 -0.1101 0.0287 286 LYS B NZ 4648 N N . VAL B 207 ? 0.1690 0.1618 0.0901 -0.0076 -0.0027 0.0295 287 VAL B N 4649 C CA . VAL B 207 ? 0.1471 0.1463 0.0936 -0.0097 -0.0096 0.0432 287 VAL B CA 4650 C C . VAL B 207 ? 0.1398 0.1413 0.1239 -0.0191 0.0035 0.0179 287 VAL B C 4651 O O . VAL B 207 ? 0.1458 0.1534 0.1407 -0.0214 0.0009 0.0168 287 VAL B O 4652 C CB . VAL B 207 ? 0.1241 0.1474 0.1037 -0.0332 -0.0245 0.0308 287 VAL B CB 4653 C CG1 . VAL B 207 ? 0.1355 0.1463 0.1437 -0.0095 -0.0450 -0.0172 287 VAL B CG1 4654 C CG2 . VAL B 207 ? 0.1478 0.1640 0.1633 -0.0613 0.0173 0.0180 287 VAL B CG2 4655 N N . GLU B 208 ? 0.1367 0.1466 0.1036 -0.0116 -0.0026 0.0035 288 GLU B N 4656 C CA . GLU B 208 ? 0.1282 0.1427 0.1136 -0.0111 -0.0120 0.0172 288 GLU B CA 4657 C C . GLU B 208 ? 0.1147 0.1321 0.1162 -0.0293 -0.0011 0.0222 288 GLU B C 4658 O O . GLU B 208 ? 0.1342 0.1508 0.1450 -0.0244 -0.0167 0.0306 288 GLU B O 4659 C CB . GLU B 208 ? 0.1501 0.1511 0.1215 0.0030 -0.0500 0.0175 288 GLU B CB 4660 C CG . GLU B 208 ? 0.1718 0.1807 0.1346 0.0073 -0.0658 0.0297 288 GLU B CG 4661 C CD . GLU B 208 ? 0.1705 0.1632 0.1497 -0.0043 -0.0475 0.0290 288 GLU B CD 4662 O OE1 . GLU B 208 ? 0.1712 0.1621 0.1949 -0.0122 -0.0416 0.0431 288 GLU B OE1 4663 O OE2 . GLU B 208 ? 0.1802 0.1682 0.1948 0.0005 -0.0578 0.0181 288 GLU B OE2 4664 N N . CYS B 209 ? 0.1257 0.1497 0.1085 0.0073 0.0024 0.0298 289 CYS B N 4665 C CA . CYS B 209 ? 0.1349 0.1489 0.1029 -0.0053 0.0040 0.0091 289 CYS B CA 4666 C C . CYS B 209 ? 0.1442 0.1554 0.1220 -0.0131 -0.0131 0.0148 289 CYS B C 4667 O O . CYS B 209 ? 0.1430 0.1642 0.1520 -0.0355 -0.0012 0.0116 289 CYS B O 4668 C CB . CYS B 209 ? 0.1553 0.1670 0.1687 -0.0209 0.0108 0.0021 289 CYS B CB 4669 S SG . CYS B 209 ? 0.1708 0.1682 0.1778 -0.0239 0.0139 0.0213 289 CYS B SG 4670 N N . VAL B 210 ? 0.1569 0.1452 0.1229 -0.0093 -0.0275 0.0102 290 VAL B N 4671 C CA . VAL B 210 ? 0.1531 0.1380 0.1340 0.0007 -0.0189 0.0291 290 VAL B CA 4672 C C . VAL B 210 ? 0.1507 0.1348 0.1281 -0.0198 -0.0089 0.0185 290 VAL B C 4673 O O . VAL B 210 ? 0.1164 0.1487 0.1462 -0.0303 -0.0047 0.0145 290 VAL B O 4674 C CB . VAL B 210 ? 0.1567 0.1612 0.1290 0.0188 -0.0062 0.0193 290 VAL B CB 4675 C CG1 . VAL B 210 ? 0.1531 0.1682 0.1484 0.0102 0.0369 0.0316 290 VAL B CG1 4676 C CG2 . VAL B 210 ? 0.1695 0.1741 0.1363 0.0132 0.0073 0.0153 290 VAL B CG2 4677 N N . CYS B 211 ? 0.1420 0.1355 0.1117 -0.0165 0.0043 0.0164 291 CYS B N 4678 C CA . CYS B 211 ? 0.1636 0.1307 0.1202 -0.0096 -0.0099 0.0086 291 CYS B CA 4679 C C . CYS B 211 ? 0.1388 0.1390 0.1345 -0.0273 -0.0147 0.0119 291 CYS B C 4680 O O . CYS B 211 ? 0.1366 0.1517 0.1329 -0.0369 -0.0152 0.0196 291 CYS B O 4681 C CB . CYS B 211 ? 0.2058 0.1527 0.1101 -0.0033 -0.0029 0.0033 291 CYS B CB 4682 S SG . CYS B 211 ? 0.2162 0.1760 0.1632 0.0158 0.0111 0.0058 291 CYS B SG 4683 N N . ARG B 212 ? 0.1246 0.1492 0.1155 -0.0509 -0.0025 0.0097 292 ARG B N 4684 C CA . ARG B 212 ? 0.1181 0.1678 0.1261 -0.0313 0.0067 0.0101 292 ARG B CA 4685 C C . ARG B 212 ? 0.1087 0.1435 0.1483 -0.0236 0.0212 0.0336 292 ARG B C 4686 O O . ARG B 212 ? 0.1186 0.1289 0.1825 -0.0236 0.0226 0.0090 292 ARG B O 4687 C CB . ARG B 212 ? 0.1214 0.1792 0.0807 -0.0177 -0.0110 0.0232 292 ARG B CB 4688 C CG . ARG B 212 ? 0.1312 0.1795 0.0969 -0.0178 -0.0200 0.0249 292 ARG B CG 4689 C CD . ARG B 212 ? 0.1550 0.1750 0.1041 -0.0089 -0.0311 0.0283 292 ARG B CD 4690 N NE . ARG B 212 ? 0.1504 0.1539 0.1260 -0.0144 -0.0242 -0.0043 292 ARG B NE 4691 C CZ . ARG B 212 ? 0.1460 0.1445 0.1366 -0.0088 0.0192 -0.0001 292 ARG B CZ 4692 N NH1 . ARG B 212 ? 0.1643 0.1358 0.1922 -0.0224 0.0310 0.0053 292 ARG B NH1 4693 N NH2 . ARG B 212 ? 0.1589 0.1600 0.1602 0.0239 0.0322 0.0305 292 ARG B NH2 4694 N N . ASP B 213 ? 0.1134 0.1361 0.1502 -0.0124 0.0016 0.0331 293 ASP B N 4695 C CA . ASP B 213 ? 0.1133 0.1331 0.1567 -0.0301 -0.0165 0.0460 293 ASP B CA 4696 C C . ASP B 213 ? 0.1089 0.1381 0.1578 -0.0255 0.0025 0.0157 293 ASP B C 4697 O O . ASP B 213 ? 0.1071 0.1584 0.1676 -0.0286 0.0005 0.0395 293 ASP B O 4698 C CB . ASP B 213 ? 0.1065 0.1378 0.1981 -0.0511 -0.0073 0.0289 293 ASP B CB 4699 C CG . ASP B 213 ? 0.1136 0.1605 0.1845 -0.0367 -0.0173 0.0345 293 ASP B CG 4700 O OD1 . ASP B 213 ? 0.1025 0.1852 0.1717 -0.0315 0.0026 0.0521 293 ASP B OD1 4701 O OD2 . ASP B 213 ? 0.1497 0.1635 0.2169 -0.0494 -0.0226 0.0197 293 ASP B OD2 4702 N N . ASN B 214 ? 0.0967 0.1575 0.1514 -0.0261 -0.0063 0.0481 294 ASN B N 4703 C CA . ASN B 214 ? 0.1239 0.1623 0.1794 -0.0153 0.0034 0.0289 294 ASN B CA 4704 C C . ASN B 214 ? 0.1250 0.1482 0.1751 -0.0168 0.0038 0.0470 294 ASN B C 4705 O O . ASN B 214 ? 0.1420 0.1650 0.1416 -0.0137 0.0074 0.0364 294 ASN B O 4706 C CB . ASN B 214 ? 0.1339 0.1752 0.1773 -0.0106 -0.0018 0.0231 294 ASN B CB 4707 C CG . ASN B 214 ? 0.1603 0.1760 0.2024 -0.0063 -0.0075 0.0287 294 ASN B CG 4708 O OD1 . ASN B 214 ? 0.1452 0.1592 0.1735 -0.0142 -0.0062 0.0008 294 ASN B OD1 4709 N ND2 . ASN B 214 ? 0.1615 0.1927 0.2134 -0.0255 -0.0083 0.0456 294 ASN B ND2 4710 N N . TRP B 215 ? 0.1069 0.1182 0.1815 -0.0531 0.0285 0.0254 295 TRP B N 4711 C CA . TRP B 215 ? 0.1292 0.1625 0.1413 -0.0222 0.0136 0.0281 295 TRP B CA 4712 C C . TRP B 215 ? 0.1262 0.1840 0.1535 -0.0240 0.0293 0.0563 295 TRP B C 4713 O O . TRP B 215 ? 0.1284 0.2128 0.2003 -0.0025 0.0323 0.0305 295 TRP B O 4714 C CB . TRP B 215 ? 0.1440 0.1561 0.1666 -0.0450 -0.0081 0.0141 295 TRP B CB 4715 C CG . TRP B 215 ? 0.1520 0.1669 0.1527 -0.0337 -0.0086 0.0348 295 TRP B CG 4716 C CD1 . TRP B 215 ? 0.1611 0.1687 0.1858 -0.0354 -0.0163 0.0485 295 TRP B CD1 4717 C CD2 . TRP B 215 ? 0.1520 0.1615 0.1606 -0.0341 0.0220 0.0374 295 TRP B CD2 4718 N NE1 . TRP B 215 ? 0.1548 0.1774 0.1637 -0.0370 0.0194 0.0211 295 TRP B NE1 4719 C CE2 . TRP B 215 ? 0.1631 0.1594 0.1718 -0.0260 0.0115 0.0264 295 TRP B CE2 4720 C CE3 . TRP B 215 ? 0.1484 0.1610 0.1897 -0.0222 0.0099 0.0287 295 TRP B CE3 4721 C CZ2 . TRP B 215 ? 0.1649 0.1534 0.1822 -0.0149 0.0214 0.0319 295 TRP B CZ2 4722 C CZ3 . TRP B 215 ? 0.1505 0.1505 0.1937 -0.0114 0.0100 0.0213 295 TRP B CZ3 4723 C CH2 . TRP B 215 ? 0.1670 0.1443 0.2001 -0.0200 0.0049 0.0494 295 TRP B CH2 4724 N N . ASN B 216 ? 0.1332 0.1979 0.1558 -0.0237 0.0227 0.0248 296 ASN B N 4725 C CA . ASN B 216 ? 0.1421 0.1840 0.2133 -0.0371 0.0202 0.0335 296 ASN B CA 4726 C C . ASN B 216 ? 0.1444 0.1767 0.2118 -0.0289 0.0291 0.0219 296 ASN B C 4727 O O . ASN B 216 ? 0.1625 0.1827 0.2494 -0.0215 0.0280 0.0134 296 ASN B O 4728 C CB . ASN B 216 ? 0.1390 0.1790 0.2643 -0.0366 0.0090 0.0283 296 ASN B CB 4729 C CG . ASN B 216 ? 0.1428 0.1797 0.3002 -0.0396 0.0193 0.0073 296 ASN B CG 4730 O OD1 . ASN B 216 ? 0.1708 0.2150 0.3561 -0.0627 0.0094 0.0074 296 ASN B OD1 4731 N ND2 . ASN B 216 ? 0.1224 0.1825 0.2592 -0.0167 0.0267 0.0208 296 ASN B ND2 4732 N N . GLY B 217 ? 0.1388 0.1464 0.1838 -0.0269 0.0079 0.0421 297 GLY B N 4733 C CA . GLY B 217 ? 0.1305 0.1484 0.1802 -0.0161 -0.0260 0.0386 297 GLY B CA 4734 C C . GLY B 217 ? 0.1334 0.1698 0.1724 -0.0161 -0.0052 0.0199 297 GLY B C 4735 O O . GLY B 217 ? 0.1500 0.1555 0.1450 -0.0044 0.0155 0.0230 297 GLY B O 4736 N N . MET B 218 ? 0.1469 0.1653 0.1900 -0.0178 -0.0008 -0.0014 298 MET B N 4737 C CA . MET B 218 ? 0.1390 0.1877 0.1869 -0.0197 0.0232 0.0032 298 MET B CA 4738 C C . MET B 218 ? 0.1314 0.2011 0.2053 -0.0255 0.0280 0.0076 298 MET B C 4739 O O . MET B 218 ? 0.1204 0.2254 0.2217 -0.0237 0.0203 -0.0030 298 MET B O 4740 C CB . MET B 218 ? 0.1317 0.1861 0.1983 0.0069 0.0315 -0.0164 298 MET B CB 4741 C CG . MET B 218 ? 0.1332 0.2076 0.2230 -0.0033 0.0372 -0.0009 298 MET B CG 4742 S SD . MET B 218 ? 0.1447 0.2270 0.2565 -0.0061 0.0399 -0.0009 298 MET B SD 4743 C CE . MET B 218 ? 0.1223 0.2213 0.2714 -0.0176 0.0535 0.0472 298 MET B CE 4744 N N . ASN B 219 ? 0.1239 0.1996 0.1534 -0.0158 0.0314 0.0221 299 ASN B N 4745 C CA . ASN B 219 ? 0.1155 0.1974 0.1589 -0.0372 -0.0012 0.0287 299 ASN B CA 4746 C C . ASN B 219 ? 0.1051 0.1873 0.1765 -0.0389 -0.0097 0.0098 299 ASN B C 4747 O O . ASN B 219 ? 0.1115 0.2166 0.2044 -0.0585 0.0123 0.0064 299 ASN B O 4748 C CB . ASN B 219 ? 0.1042 0.2084 0.1721 -0.0444 0.0010 0.0273 299 ASN B CB 4749 C CG . ASN B 219 ? 0.1209 0.2176 0.1638 -0.0401 -0.0128 0.0093 299 ASN B CG 4750 O OD1 . ASN B 219 ? 0.1070 0.2187 0.2151 -0.0464 0.0017 0.0245 299 ASN B OD1 4751 N ND2 . ASN B 219 ? 0.1397 0.2143 0.1962 -0.0299 -0.0070 0.0036 299 ASN B ND2 4752 N N . ARG B 220 ? 0.1029 0.1745 0.1883 -0.0251 0.0086 0.0198 300 ARG B N 4753 C CA . ARG B 220 ? 0.1010 0.1564 0.1725 -0.0504 -0.0134 0.0236 300 ARG B CA 4754 C C . ARG B 220 ? 0.1036 0.1637 0.1727 -0.0457 -0.0058 0.0034 300 ARG B C 4755 O O . ARG B 220 ? 0.1130 0.1836 0.2137 -0.0151 -0.0153 0.0185 300 ARG B O 4756 C CB . ARG B 220 ? 0.1071 0.1426 0.1551 -0.0652 -0.0118 0.0248 300 ARG B CB 4757 C CG . ARG B 220 ? 0.1266 0.1402 0.1243 -0.0415 -0.0185 0.0189 300 ARG B CG 4758 C CD . ARG B 220 ? 0.1324 0.1456 0.1228 -0.0313 -0.0295 0.0309 300 ARG B CD 4759 N NE . ARG B 220 ? 0.1278 0.1503 0.1362 -0.0246 -0.0389 0.0133 300 ARG B NE 4760 C CZ . ARG B 220 ? 0.1095 0.1496 0.1678 -0.0263 -0.0406 0.0152 300 ARG B CZ 4761 N NH1 . ARG B 220 ? 0.1055 0.1560 0.1636 -0.0111 -0.0115 0.0189 300 ARG B NH1 4762 N NH2 . ARG B 220 ? 0.1087 0.1421 0.1756 -0.0255 0.0139 -0.0211 300 ARG B NH2 4763 N N . PRO B 221 ? 0.1213 0.1443 0.1588 -0.0327 -0.0155 0.0021 301 PRO B N 4764 C CA . PRO B 221 ? 0.1425 0.1380 0.1569 -0.0284 -0.0136 -0.0044 301 PRO B CA 4765 C C . PRO B 221 ? 0.1417 0.1578 0.1611 -0.0442 -0.0197 -0.0077 301 PRO B C 4766 O O . PRO B 221 ? 0.1336 0.1551 0.1752 -0.0426 -0.0313 -0.0048 301 PRO B O 4767 C CB . PRO B 221 ? 0.1606 0.1460 0.1871 -0.0211 -0.0324 0.0121 301 PRO B CB 4768 C CG . PRO B 221 ? 0.1714 0.1496 0.1404 -0.0057 0.0186 0.0319 301 PRO B CG 4769 C CD . PRO B 221 ? 0.1471 0.1302 0.1683 -0.0022 -0.0193 0.0013 301 PRO B CD 4770 N N . ILE B 222 ? 0.1505 0.1870 0.1296 -0.0346 0.0196 -0.0077 302 ILE B N 4771 C CA . ILE B 222 ? 0.1609 0.1873 0.1346 -0.0302 0.0135 -0.0192 302 ILE B CA 4772 C C . ILE B 222 ? 0.1458 0.1916 0.1607 -0.0466 0.0222 -0.0240 302 ILE B C 4773 O O . ILE B 222 ? 0.1701 0.2170 0.1971 -0.0651 0.0341 -0.0346 302 ILE B O 4774 C CB . ILE B 222 ? 0.2283 0.2012 0.1524 0.0113 0.0320 0.0003 302 ILE B CB 4775 C CG1 . ILE B 222 ? 0.2597 0.2191 0.2497 -0.0008 0.0182 -0.0054 302 ILE B CG1 4776 C CG2 . ILE B 222 ? 0.2415 0.2108 0.2257 0.0058 0.0169 0.0124 302 ILE B CG2 4777 C CD1 . ILE B 222 ? 0.2668 0.2337 0.2625 -0.0136 0.0085 -0.0193 302 ILE B CD1 4778 N N . LEU B 223 ? 0.1450 0.1857 0.1355 -0.0162 0.0128 -0.0226 303 LEU B N 4779 C CA . LEU B 223 ? 0.1532 0.1806 0.1218 -0.0206 0.0001 0.0200 303 LEU B CA 4780 C C . LEU B 223 ? 0.1640 0.1718 0.0991 -0.0383 -0.0011 -0.0128 303 LEU B C 4781 O O . LEU B 223 ? 0.1861 0.1615 0.1547 -0.0564 0.0129 -0.0012 303 LEU B O 4782 C CB . LEU B 223 ? 0.1439 0.1739 0.1771 -0.0158 0.0050 0.0394 303 LEU B CB 4783 C CG . LEU B 223 ? 0.1238 0.1806 0.2137 -0.0209 0.0004 0.0097 303 LEU B CG 4784 C CD1 . LEU B 223 ? 0.1180 0.1989 0.2138 -0.0420 -0.0029 0.0038 303 LEU B CD1 4785 C CD2 . LEU B 223 ? 0.1169 0.2058 0.2159 -0.0050 -0.0242 -0.0061 303 LEU B CD2 4786 N N . ILE B 224 ? 0.1553 0.1717 0.1075 -0.0232 -0.0132 -0.0270 304 ILE B N 4787 C CA . ILE B 224 ? 0.1434 0.1995 0.1180 0.0013 -0.0329 -0.0298 304 ILE B CA 4788 C C . ILE B 224 ? 0.1388 0.1929 0.1268 -0.0064 0.0030 -0.0283 304 ILE B C 4789 O O . ILE B 224 ? 0.1621 0.2096 0.1562 -0.0114 -0.0067 -0.0234 304 ILE B O 4790 C CB . ILE B 224 ? 0.1580 0.2038 0.1421 0.0336 0.0029 -0.0123 304 ILE B CB 4791 C CG1 . ILE B 224 ? 0.1646 0.2444 0.2049 0.0302 -0.0234 -0.0192 304 ILE B CG1 4792 C CG2 . ILE B 224 ? 0.1719 0.2023 0.1731 0.0243 0.0075 -0.0091 304 ILE B CG2 4793 C CD1 . ILE B 224 ? 0.1994 0.2847 0.2372 0.0360 -0.0548 -0.0300 304 ILE B CD1 4794 N N . PHE B 225 ? 0.1262 0.1779 0.1129 -0.0122 0.0267 -0.0298 305 PHE B N 4795 C CA . PHE B 225 ? 0.1295 0.1614 0.1272 -0.0223 0.0180 -0.0013 305 PHE B CA 4796 C C . PHE B 225 ? 0.1629 0.1690 0.1289 -0.0350 -0.0116 0.0109 305 PHE B C 4797 O O . PHE B 225 ? 0.1835 0.1825 0.1631 -0.0468 -0.0248 0.0159 305 PHE B O 4798 C CB . PHE B 225 ? 0.1305 0.1441 0.1683 -0.0395 -0.0080 0.0223 305 PHE B CB 4799 C CG . PHE B 225 ? 0.1266 0.1272 0.1169 -0.0341 0.0123 0.0184 305 PHE B CG 4800 C CD1 . PHE B 225 ? 0.1163 0.1335 0.1514 -0.0426 -0.0020 0.0115 305 PHE B CD1 4801 C CD2 . PHE B 225 ? 0.1323 0.1218 0.1570 -0.0256 -0.0160 -0.0015 305 PHE B CD2 4802 C CE1 . PHE B 225 ? 0.1500 0.1391 0.1878 -0.0346 -0.0148 0.0096 305 PHE B CE1 4803 C CE2 . PHE B 225 ? 0.1402 0.1188 0.1359 -0.0398 0.0065 0.0121 305 PHE B CE2 4804 C CZ . PHE B 225 ? 0.1555 0.1437 0.1683 -0.0389 -0.0080 0.0082 305 PHE B CZ 4805 N N . ASP B 226 ? 0.1718 0.1651 0.1186 -0.0267 0.0027 0.0137 306 ASP B N 4806 C CA . ASP B 226 ? 0.1642 0.1720 0.1394 -0.0422 -0.0176 0.0097 306 ASP B CA 4807 C C . ASP B 226 ? 0.1689 0.1716 0.1460 -0.0336 0.0012 -0.0067 306 ASP B C 4808 O O . ASP B 226 ? 0.1665 0.1588 0.1260 -0.0424 -0.0232 -0.0019 306 ASP B O 4809 C CB . ASP B 226 ? 0.1684 0.1920 0.1554 -0.0320 -0.0491 0.0015 306 ASP B CB 4810 C CG . ASP B 226 ? 0.1748 0.2277 0.1957 -0.0362 -0.0551 0.0122 306 ASP B CG 4811 O OD1 . ASP B 226 ? 0.1680 0.2255 0.1833 -0.0409 -0.0093 0.0322 306 ASP B OD1 4812 O OD2 . ASP B 226 ? 0.2088 0.2376 0.2577 -0.0315 -0.0726 -0.0327 306 ASP B OD2 4813 N N . GLU B 227 ? 0.1897 0.1802 0.1138 -0.0242 -0.0051 -0.0385 308 GLU B N 4814 C CA . GLU B 227 ? 0.1886 0.1749 0.1556 -0.0458 -0.0255 -0.0129 308 GLU B CA 4815 C C . GLU B 227 ? 0.1831 0.1569 0.1446 -0.0667 -0.0076 -0.0108 308 GLU B C 4816 O O . GLU B 227 ? 0.2008 0.1779 0.1744 -0.0842 -0.0017 -0.0324 308 GLU B O 4817 C CB . GLU B 227 ? 0.2240 0.2117 0.1731 -0.0634 -0.0238 0.0206 308 GLU B CB 4818 C CG . GLU B 227 ? 0.2843 0.2865 0.2526 -0.0669 -0.0294 0.0202 308 GLU B CG 4819 C CD . GLU B 227 ? 0.3172 0.3374 0.3042 -0.0646 -0.0646 0.0178 308 GLU B CD 4820 O OE1 . GLU B 227 ? 0.3336 0.3503 0.3287 -0.0612 -0.1023 -0.0030 308 GLU B OE1 4821 O OE2 . GLU B 227 ? 0.3198 0.3578 0.3079 -0.0640 -0.0491 0.0205 308 GLU B OE2 4822 N N . ASP B 228 ? 0.1861 0.1401 0.1136 -0.0811 0.0112 -0.0055 309 ASP B N 4823 C CA . ASP B 228 ? 0.1901 0.1681 0.1292 -0.0744 -0.0039 -0.0378 309 ASP B CA 4824 C C . ASP B 228 ? 0.1843 0.1571 0.1501 -0.0556 -0.0111 -0.0118 309 ASP B C 4825 O O . ASP B 228 ? 0.1931 0.1829 0.1605 -0.0543 -0.0033 -0.0179 309 ASP B O 4826 C CB . ASP B 228 ? 0.1711 0.1989 0.1283 -0.0643 -0.0048 -0.0609 309 ASP B CB 4827 C CG . ASP B 228 ? 0.1705 0.2224 0.1561 -0.0470 -0.0422 -0.0221 309 ASP B CG 4828 O OD1 . ASP B 228 ? 0.1751 0.2008 0.1708 -0.0686 -0.0323 -0.0349 309 ASP B OD1 4829 O OD2 . ASP B 228 ? 0.1789 0.2455 0.1752 -0.0096 -0.0350 -0.0015 309 ASP B OD2 4830 N N . LEU B 229 ? 0.1805 0.1796 0.1424 -0.0195 -0.0250 -0.0081 310 LEU B N 4831 C CA . LEU B 229 ? 0.1538 0.1788 0.1411 -0.0052 -0.0071 0.0189 310 LEU B CA 4832 C C . LEU B 229 ? 0.1799 0.1767 0.1334 -0.0318 -0.0192 0.0466 310 LEU B C 4833 O O . LEU B 229 ? 0.1828 0.1851 0.1510 -0.0426 -0.0064 0.0323 310 LEU B O 4834 C CB . LEU B 229 ? 0.1356 0.1772 0.1475 -0.0053 -0.0155 0.0269 310 LEU B CB 4835 C CG . LEU B 229 ? 0.1461 0.1637 0.1638 -0.0272 -0.0358 0.0254 310 LEU B CG 4836 C CD1 . LEU B 229 ? 0.1584 0.1738 0.1281 -0.0266 -0.0314 0.0291 310 LEU B CD1 4837 C CD2 . LEU B 229 ? 0.1679 0.1836 0.2290 -0.0346 -0.0380 -0.0105 310 LEU B CD2 4838 N N . ASP B 230 ? 0.1753 0.1780 0.1498 -0.0329 -0.0300 -0.0087 311 ASP B N 4839 C CA . ASP B 230 ? 0.1957 0.1930 0.1742 -0.0151 -0.0339 -0.0265 311 ASP B CA 4840 C C . ASP B 230 ? 0.1858 0.1790 0.1665 -0.0234 -0.0198 -0.0172 311 ASP B C 4841 O O . ASP B 230 ? 0.1849 0.1735 0.1902 -0.0487 0.0065 -0.0213 311 ASP B O 4842 C CB . ASP B 230 ? 0.2476 0.2207 0.2008 -0.0128 -0.0555 -0.0412 311 ASP B CB 4843 C CG . ASP B 230 ? 0.2997 0.2237 0.2133 -0.0128 -0.0770 -0.0162 311 ASP B CG 4844 O OD1 . ASP B 230 ? 0.3173 0.2241 0.2543 -0.0205 -0.0901 -0.0232 311 ASP B OD1 4845 O OD2 . ASP B 230 ? 0.3403 0.2500 0.2193 -0.0227 -0.0457 0.0064 311 ASP B OD2 4846 N N . TYR B 231 ? 0.1583 0.1763 0.1889 -0.0170 -0.0192 -0.0081 312 TYR B N 4847 C CA . TYR B 231 ? 0.1482 0.1849 0.1711 -0.0190 -0.0153 0.0108 312 TYR B CA 4848 C C . TYR B 231 ? 0.1531 0.2054 0.1755 -0.0301 -0.0118 0.0053 312 TYR B C 4849 O O . TYR B 231 ? 0.1698 0.2050 0.1781 -0.0346 -0.0148 -0.0198 312 TYR B O 4850 C CB . TYR B 231 ? 0.1452 0.1798 0.1607 -0.0578 -0.0239 0.0293 312 TYR B CB 4851 C CG . TYR B 231 ? 0.1502 0.1839 0.1421 -0.0613 -0.0222 0.0156 312 TYR B CG 4852 C CD1 . TYR B 231 ? 0.1508 0.2021 0.1514 -0.0473 0.0001 0.0088 312 TYR B CD1 4853 C CD2 . TYR B 231 ? 0.1642 0.1822 0.1871 -0.0511 -0.0367 0.0241 312 TYR B CD2 4854 C CE1 . TYR B 231 ? 0.1690 0.1837 0.1661 -0.0415 -0.0181 0.0334 312 TYR B CE1 4855 C CE2 . TYR B 231 ? 0.1839 0.2029 0.1882 -0.0539 -0.0181 0.0398 312 TYR B CE2 4856 C CZ . TYR B 231 ? 0.1916 0.2008 0.1634 -0.0581 -0.0135 0.0420 312 TYR B CZ 4857 O OH . TYR B 231 ? 0.2246 0.2194 0.1716 -0.0814 -0.0345 0.0483 312 TYR B OH 4858 N N . GLU B 232 ? 0.1550 0.2281 0.1388 -0.0020 0.0075 0.0069 313 GLU B N 4859 C CA . GLU B 232 ? 0.1589 0.2546 0.1505 -0.0145 -0.0271 0.0040 313 GLU B CA 4860 C C . GLU B 232 ? 0.1556 0.2251 0.1466 -0.0321 -0.0067 -0.0110 313 GLU B C 4861 O O . GLU B 232 ? 0.1612 0.2202 0.1436 -0.0385 0.0032 -0.0004 313 GLU B O 4862 C CB . GLU B 232 ? 0.1981 0.3178 0.1699 0.0162 -0.1019 0.0137 313 GLU B CB 4863 C CG . GLU B 232 ? 0.2587 0.3698 0.3290 0.0480 -0.0600 0.0353 313 GLU B CG 4864 C CD . GLU B 232 ? 0.3029 0.4160 0.4929 0.0706 -0.0406 0.0742 313 GLU B CD 4865 O OE1 . GLU B 232 ? 0.3148 0.4338 0.5636 0.0920 -0.0254 0.0735 313 GLU B OE1 4866 O OE2 . GLU B 232 ? 0.3292 0.4273 0.5416 0.0724 -0.0325 0.0783 313 GLU B OE2 4867 N N . VAL B 233 ? 0.1430 0.1948 0.1275 -0.0307 0.0026 -0.0321 314 VAL B N 4868 C CA . VAL B 233 ? 0.1399 0.1844 0.1609 -0.0292 -0.0196 -0.0092 314 VAL B CA 4869 C C . VAL B 233 ? 0.1417 0.1894 0.1731 -0.0305 -0.0079 -0.0156 314 VAL B C 4870 O O . VAL B 233 ? 0.1458 0.2195 0.2124 -0.0508 -0.0360 -0.0299 314 VAL B O 4871 C CB . VAL B 233 ? 0.1611 0.1715 0.1736 -0.0346 -0.0494 0.0010 314 VAL B CB 4872 C CG1 . VAL B 233 ? 0.1897 0.1709 0.1997 -0.0488 -0.0269 -0.0216 314 VAL B CG1 4873 C CG2 . VAL B 233 ? 0.1530 0.1794 0.1945 -0.0270 -0.0444 -0.0118 314 VAL B CG2 4874 N N . GLY B 234 ? 0.1206 0.1760 0.1642 -0.0056 0.0330 -0.0099 315 GLY B N 4875 C CA . GLY B 234 ? 0.1118 0.1713 0.1782 -0.0349 0.0170 -0.0369 315 GLY B CA 4876 C C . GLY B 234 ? 0.1291 0.1554 0.1374 -0.0285 -0.0167 0.0003 315 GLY B C 4877 O O . GLY B 234 ? 0.1391 0.1482 0.1712 -0.0337 0.0025 0.0325 315 GLY B O 4878 N N . TYR B 235 ? 0.1447 0.1497 0.1402 -0.0081 -0.0075 0.0148 316 TYR B N 4879 C CA . TYR B 235 ? 0.1485 0.1706 0.1717 -0.0211 0.0020 0.0071 316 TYR B CA 4880 C C . TYR B 235 ? 0.1501 0.1672 0.1707 -0.0026 -0.0133 0.0058 316 TYR B C 4881 O O . TYR B 235 ? 0.1626 0.1930 0.2102 -0.0155 -0.0075 0.0010 316 TYR B O 4882 C CB . TYR B 235 ? 0.1471 0.1734 0.1453 -0.0094 0.0043 0.0199 316 TYR B CB 4883 C CG . TYR B 235 ? 0.1541 0.1531 0.1597 -0.0083 -0.0143 0.0305 316 TYR B CG 4884 C CD1 . TYR B 235 ? 0.1827 0.1548 0.1798 0.0016 -0.0026 0.0018 316 TYR B CD1 4885 C CD2 . TYR B 235 ? 0.1443 0.1590 0.1511 -0.0031 -0.0106 0.0228 316 TYR B CD2 4886 C CE1 . TYR B 235 ? 0.1870 0.1636 0.1669 -0.0021 -0.0145 0.0153 316 TYR B CE1 4887 C CE2 . TYR B 235 ? 0.1611 0.1707 0.1655 0.0023 0.0246 0.0399 316 TYR B CE2 4888 C CZ . TYR B 235 ? 0.1878 0.1683 0.1780 -0.0002 0.0154 0.0285 316 TYR B CZ 4889 O OH . TYR B 235 ? 0.2051 0.1830 0.2037 -0.0023 0.0218 0.0298 316 TYR B OH 4890 N N . LEU B 236 ? 0.1551 0.1677 0.1673 0.0021 0.0095 0.0078 317 LEU B N 4891 C CA . LEU B 236 ? 0.1592 0.1669 0.1844 -0.0003 -0.0208 0.0341 317 LEU B CA 4892 C C . LEU B 236 ? 0.1412 0.1985 0.2181 -0.0092 -0.0087 0.0276 317 LEU B C 4893 O O . LEU B 236 ? 0.1482 0.2051 0.2454 -0.0123 0.0165 0.0406 317 LEU B O 4894 C CB . LEU B 236 ? 0.1785 0.1618 0.1806 -0.0039 -0.0351 0.0203 317 LEU B CB 4895 C CG . LEU B 236 ? 0.1948 0.1617 0.2117 -0.0130 -0.0203 0.0259 317 LEU B CG 4896 C CD1 . LEU B 236 ? 0.1998 0.1876 0.2327 -0.0234 -0.0275 0.0014 317 LEU B CD1 4897 C CD2 . LEU B 236 ? 0.2149 0.1416 0.2171 -0.0241 -0.0418 0.0171 317 LEU B CD2 4898 N N . CYS B 237 ? 0.1307 0.2018 0.2346 -0.0038 -0.0268 0.0316 318 CYS B N 4899 C CA . CYS B 237 ? 0.1382 0.2240 0.2835 -0.0144 -0.0139 0.0141 318 CYS B CA 4900 C C . CYS B 237 ? 0.1278 0.2182 0.2812 -0.0089 0.0113 0.0170 318 CYS B C 4901 O O . CYS B 237 ? 0.1251 0.2180 0.3090 -0.0072 -0.0104 0.0378 318 CYS B O 4902 C CB . CYS B 237 ? 0.1916 0.2319 0.3171 -0.0230 -0.0474 0.0173 318 CYS B CB 4903 S SG . CYS B 237 ? 0.2490 0.2721 0.4314 -0.0258 -0.0394 0.0182 318 CYS B SG 4904 N N . ALA B 238 ? 0.1330 0.2130 0.2716 -0.0059 0.0007 -0.0085 319 ALA B N 4905 C CA . ALA B 238 ? 0.1466 0.2222 0.2829 -0.0163 -0.0030 -0.0140 319 ALA B CA 4906 C C . ALA B 238 ? 0.1428 0.2091 0.2941 -0.0012 0.0066 0.0037 319 ALA B C 4907 O O . ALA B 238 ? 0.1497 0.1969 0.3122 0.0122 -0.0337 -0.0150 319 ALA B O 4908 C CB . ALA B 238 ? 0.1615 0.2253 0.3002 -0.0496 -0.0080 -0.0118 319 ALA B CB 4909 N N . GLY B 239 ? 0.1298 0.2217 0.2720 -0.0042 0.0175 -0.0098 320 GLY B N 4910 C CA . GLY B 239 ? 0.1262 0.2315 0.2620 -0.0103 0.0276 -0.0041 320 GLY B CA 4911 C C . GLY B 239 ? 0.1316 0.2420 0.2959 0.0026 0.0261 0.0138 320 GLY B C 4912 O O . GLY B 239 ? 0.1656 0.2542 0.3316 0.0041 0.0257 0.0189 320 GLY B O 4913 N N . ILE B 240 ? 0.1082 0.2301 0.3017 0.0020 -0.0258 0.0180 321 ILE B N 4914 C CA . ILE B 240 ? 0.1292 0.2377 0.2733 0.0253 -0.0257 0.0002 321 ILE B CA 4915 C C . ILE B 240 ? 0.1149 0.2306 0.2344 0.0236 -0.0257 0.0072 321 ILE B C 4916 O O . ILE B 240 ? 0.1453 0.2452 0.2287 0.0193 -0.0349 -0.0051 321 ILE B O 4917 C CB . ILE B 240 ? 0.1576 0.2450 0.2848 0.0226 -0.0214 -0.0043 321 ILE B CB 4918 C CG1 . ILE B 240 ? 0.1747 0.2500 0.3118 0.0222 0.0214 -0.0063 321 ILE B CG1 4919 C CG2 . ILE B 240 ? 0.1672 0.2480 0.3127 0.0014 0.0112 -0.0210 321 ILE B CG2 4920 C CD1 . ILE B 240 ? 0.1945 0.2490 0.3250 0.0297 0.0298 -0.0047 321 ILE B CD1 4921 N N . PRO B 241 ? 0.1084 0.2045 0.2100 0.0102 0.0022 -0.0036 322 PRO B N 4922 C CA . PRO B 241 ? 0.1136 0.2033 0.2207 -0.0089 0.0070 0.0405 322 PRO B CA 4923 C C . PRO B 241 ? 0.1021 0.1915 0.2049 -0.0140 0.0066 0.0141 322 PRO B C 4924 O O . PRO B 241 ? 0.1207 0.1730 0.2378 -0.0020 0.0202 -0.0020 322 PRO B O 4925 C CB . PRO B 241 ? 0.1245 0.2074 0.2155 -0.0001 0.0402 0.0373 322 PRO B CB 4926 C CG . PRO B 241 ? 0.1072 0.2105 0.2484 0.0163 0.0336 0.0381 322 PRO B CG 4927 C CD . PRO B 241 ? 0.1094 0.2046 0.2264 0.0020 0.0074 0.0246 322 PRO B CD 4928 N N . THR B 242 ? 0.0780 0.1870 0.2150 -0.0403 0.0185 0.0032 323 THR B N 4929 C CA . THR B 242 ? 0.0856 0.1755 0.1924 -0.0418 0.0281 0.0205 323 THR B CA 4930 C C . THR B 242 ? 0.1116 0.1594 0.1651 -0.0183 0.0255 0.0519 323 THR B C 4931 O O . THR B 242 ? 0.1137 0.1582 0.2233 -0.0152 0.0244 0.0376 323 THR B O 4932 C CB . THR B 242 ? 0.1158 0.1759 0.1642 -0.0068 -0.0090 0.0103 323 THR B CB 4933 O OG1 . THR B 242 ? 0.1385 0.1558 0.1763 -0.0317 -0.0110 -0.0070 323 THR B OG1 4934 C CG2 . THR B 242 ? 0.1217 0.1708 0.1951 0.0127 -0.0254 0.0289 323 THR B CG2 4935 N N . ASP B 243 ? 0.1295 0.1659 0.1517 -0.0051 0.0042 0.0156 324 ASP B N 4936 C CA . ASP B 243 ? 0.1273 0.1352 0.1438 -0.0033 0.0141 -0.0050 324 ASP B CA 4937 C C . ASP B 243 ? 0.1291 0.1475 0.1371 -0.0079 0.0269 0.0110 324 ASP B C 4938 O O . ASP B 243 ? 0.1395 0.1551 0.2088 -0.0132 0.0005 -0.0206 324 ASP B O 4939 C CB . ASP B 243 ? 0.1316 0.1360 0.1744 0.0146 0.0135 -0.0032 324 ASP B CB 4940 C CG . ASP B 243 ? 0.1437 0.1569 0.1734 -0.0041 0.0013 -0.0007 324 ASP B CG 4941 O OD1 . ASP B 243 ? 0.1176 0.1683 0.1551 -0.0034 0.0021 -0.0005 324 ASP B OD1 4942 O OD2 . ASP B 243 ? 0.1478 0.1890 0.1582 0.0072 -0.0075 -0.0151 324 ASP B OD2 4943 N N . THR B 244 ? 0.1162 0.1632 0.1261 -0.0093 -0.0134 -0.0104 325 THR B N 4944 C CA . THR B 244 ? 0.1303 0.1623 0.1301 -0.0212 -0.0195 0.0021 325 THR B CA 4945 C C . THR B 244 ? 0.1315 0.1672 0.1607 -0.0175 -0.0130 0.0147 325 THR B C 4946 O O . THR B 244 ? 0.1195 0.1672 0.2036 -0.0116 0.0386 0.0305 325 THR B O 4947 C CB . THR B 244 ? 0.1532 0.1557 0.1330 -0.0157 -0.0041 -0.0032 325 THR B CB 4948 O OG1 . THR B 244 ? 0.1604 0.1720 0.1830 -0.0213 0.0147 0.0188 325 THR B OG1 4949 C CG2 . THR B 244 ? 0.1681 0.1594 0.1551 -0.0142 0.0122 0.0058 325 THR B CG2 4950 N N . PRO B 245 ? 0.1443 0.1819 0.1606 -0.0080 0.0251 0.0182 326 PRO B N 4951 C CA . PRO B 245 ? 0.1448 0.1974 0.1299 -0.0150 0.0514 0.0318 326 PRO B CA 4952 C C . PRO B 245 ? 0.1354 0.1776 0.1593 -0.0200 0.0496 -0.0120 326 PRO B C 4953 O O . PRO B 245 ? 0.1509 0.1849 0.1859 -0.0204 0.0404 -0.0127 326 PRO B O 4954 C CB . PRO B 245 ? 0.1621 0.1968 0.1630 -0.0024 0.0509 0.0210 326 PRO B CB 4955 C CG . PRO B 245 ? 0.1650 0.2079 0.1721 -0.0005 0.0348 0.0290 326 PRO B CG 4956 C CD . PRO B 245 ? 0.1528 0.1960 0.1605 0.0164 0.0344 0.0465 326 PRO B CD 4957 N N . ARG B 246 ? 0.1230 0.1814 0.1952 -0.0209 0.0576 0.0101 327 ARG B N 4958 C CA . ARG B 246 ? 0.1128 0.1860 0.2136 -0.0085 0.0378 0.0149 327 ARG B CA 4959 C C . ARG B 246 ? 0.1117 0.2144 0.2545 0.0038 0.0297 0.0171 327 ARG B C 4960 O O . ARG B 246 ? 0.1128 0.2258 0.2961 -0.0091 0.0248 0.0161 327 ARG B O 4961 C CB . ARG B 246 ? 0.1243 0.1705 0.2263 -0.0261 0.0118 0.0178 327 ARG B CB 4962 C CG . ARG B 246 ? 0.1202 0.1664 0.1920 -0.0213 0.0195 0.0074 327 ARG B CG 4963 C CD . ARG B 246 ? 0.1493 0.1426 0.1904 -0.0146 0.0085 0.0129 327 ARG B CD 4964 N NE . ARG B 246 ? 0.1585 0.1346 0.1884 -0.0280 0.0178 0.0131 327 ARG B NE 4965 C CZ . ARG B 246 ? 0.1355 0.1350 0.2017 -0.0052 0.0048 0.0011 327 ARG B CZ 4966 N NH1 . ARG B 246 ? 0.1307 0.1530 0.1804 -0.0050 0.0125 -0.0087 327 ARG B NH1 4967 N NH2 . ARG B 246 ? 0.1481 0.1445 0.2200 -0.0023 0.0040 -0.0008 327 ARG B NH2 4968 N N . VAL B 247 ? 0.0900 0.2380 0.2290 0.0310 0.0147 0.0052 328 VAL B N 4969 C CA . VAL B 247 ? 0.1063 0.2357 0.2732 0.0188 0.0490 -0.0066 328 VAL B CA 4970 C C . VAL B 247 ? 0.1068 0.2383 0.2988 -0.0060 0.0595 -0.0204 328 VAL B C 4971 O O . VAL B 247 ? 0.1150 0.2285 0.3252 -0.0138 0.0721 -0.0253 328 VAL B O 4972 C CB . VAL B 247 ? 0.1380 0.2177 0.2673 0.0077 0.0182 -0.0129 328 VAL B CB 4973 C CG1 . VAL B 247 ? 0.1519 0.2139 0.3063 0.0047 0.0398 -0.0090 328 VAL B CG1 4974 C CG2 . VAL B 247 ? 0.1507 0.2218 0.2805 -0.0027 0.0500 -0.0193 328 VAL B CG2 4975 N N . GLN B 248 ? 0.1192 0.2496 0.3051 0.0040 0.0558 -0.0168 329 GLN B N 4976 C CA . GLN B 248 ? 0.1386 0.2676 0.3174 0.0121 0.0736 -0.0260 329 GLN B CA 4977 C C . GLN B 248 ? 0.1373 0.2514 0.3019 0.0064 0.0590 -0.0076 329 GLN B C 4978 O O . GLN B 248 ? 0.1260 0.2483 0.3214 0.0113 0.0490 -0.0237 329 GLN B O 4979 C CB . GLN B 248 ? 0.1568 0.3055 0.3484 0.0225 0.1353 -0.0370 329 GLN B CB 4980 C CG . GLN B 248 ? 0.2400 0.3573 0.4595 0.0092 0.1092 -0.0445 329 GLN B CG 4981 C CD . GLN B 248 ? 0.3036 0.4006 0.5394 -0.0163 0.1007 -0.0435 329 GLN B CD 4982 O OE1 . GLN B 248 ? 0.3361 0.4117 0.5741 -0.0269 0.0797 -0.0631 329 GLN B OE1 4983 N NE2 . GLN B 248 ? 0.3240 0.4253 0.5700 -0.0236 0.1141 -0.0401 329 GLN B NE2 4984 N N . ASP B 249 ? 0.1506 0.2333 0.2979 0.0001 0.0453 0.0274 330 ASP B N 4985 C CA . ASP B 249 ? 0.1483 0.2394 0.3223 -0.0096 0.0369 0.0197 330 ASP B CA 4986 C C . ASP B 249 ? 0.1491 0.2708 0.3297 -0.0035 0.0336 -0.0011 330 ASP B C 4987 O O . ASP B 249 ? 0.1396 0.2792 0.3419 -0.0411 0.0231 0.0151 330 ASP B O 4988 C CB . ASP B 249 ? 0.1418 0.2138 0.3370 -0.0231 0.0498 0.0420 330 ASP B CB 4989 C CG . ASP B 249 ? 0.1552 0.2196 0.3730 -0.0118 0.0143 0.0216 330 ASP B CG 4990 O OD1 . ASP B 249 ? 0.1416 0.2379 0.3575 -0.0209 0.0359 0.0128 330 ASP B OD1 4991 O OD2 . ASP B 249 ? 0.1876 0.2200 0.4133 0.0186 0.0174 0.0211 330 ASP B OD2 4992 N N . SER B 250 ? 0.1569 0.2782 0.3197 0.0204 0.0565 -0.0093 331 SER B N 4993 C CA . SER B 250 ? 0.1770 0.2915 0.3528 0.0097 0.0345 -0.0144 331 SER B CA 4994 C C . SER B 250 ? 0.1752 0.2949 0.3679 -0.0098 0.0264 0.0000 331 SER B C 4995 O O . SER B 250 ? 0.1941 0.3152 0.4142 0.0049 0.0104 0.0007 331 SER B O 4996 C CB . SER B 250 ? 0.1841 0.3042 0.3634 0.0240 0.0408 -0.0417 331 SER B CB 4997 O OG . SER B 250 ? 0.2150 0.3094 0.3953 0.0390 0.0690 -0.0623 331 SER B OG 4998 N N . SER B 251 ? 0.1578 0.2905 0.3311 -0.0148 0.0473 -0.0168 332 SER B N 4999 C CA . SER B 251 ? 0.1747 0.2913 0.2953 -0.0146 0.0470 -0.0105 332 SER B CA 5000 C C . SER B 251 ? 0.1726 0.2862 0.2885 -0.0334 0.0582 -0.0046 332 SER B C 5001 O O . SER B 251 ? 0.1927 0.3004 0.3444 -0.0382 0.0576 -0.0151 332 SER B O 5002 C CB . SER B 251 ? 0.2005 0.3133 0.2843 0.0103 0.0526 -0.0068 332 SER B CB 5003 O OG . SER B 251 ? 0.2246 0.3314 0.3149 0.0226 0.0532 -0.0051 332 SER B OG 5004 N N . PHE B 252 ? 0.1643 0.2770 0.2487 -0.0376 0.0722 -0.0051 333 PHE B N 5005 C CA . PHE B 252 ? 0.1559 0.2699 0.2520 -0.0493 0.0536 -0.0236 333 PHE B CA 5006 C C . PHE B 252 ? 0.1594 0.2792 0.2921 -0.0313 0.0104 -0.0427 333 PHE B C 5007 O O . PHE B 252 ? 0.1587 0.2768 0.3130 -0.0051 -0.0067 -0.0416 333 PHE B O 5008 C CB . PHE B 252 ? 0.1405 0.2523 0.2586 -0.0511 0.0575 -0.0289 333 PHE B CB 5009 C CG . PHE B 252 ? 0.1418 0.2376 0.2631 -0.0520 0.0669 0.0009 333 PHE B CG 5010 C CD1 . PHE B 252 ? 0.1416 0.2328 0.2886 -0.0458 0.0462 -0.0061 333 PHE B CD1 5011 C CD2 . PHE B 252 ? 0.1298 0.2294 0.2462 -0.0525 0.0706 0.0002 333 PHE B CD2 5012 C CE1 . PHE B 252 ? 0.1391 0.2191 0.2648 -0.0477 0.0237 -0.0075 333 PHE B CE1 5013 C CE2 . PHE B 252 ? 0.1343 0.2021 0.2661 -0.0556 0.0326 -0.0318 333 PHE B CE2 5014 C CZ . PHE B 252 ? 0.1249 0.2206 0.2809 -0.0534 0.0120 -0.0035 333 PHE B CZ 5015 N N . THR B 253 ? 0.1627 0.2908 0.3063 -0.0391 0.0174 -0.0598 334 THR B N 5016 C CA . THR B 253 ? 0.1518 0.3060 0.3139 -0.0329 0.0299 -0.0576 334 THR B CA 5017 C C . THR B 253 ? 0.1746 0.2889 0.2876 -0.0293 0.0261 -0.0446 334 THR B C 5018 O O . THR B 253 ? 0.1902 0.2929 0.3017 -0.0278 0.0321 -0.0143 334 THR B O 5019 C CB . THR B 253 ? 0.1553 0.3393 0.3484 -0.0315 0.0267 -0.0796 334 THR B CB 5020 O OG1 . THR B 253 ? 0.1693 0.3436 0.3877 -0.0348 0.0527 -0.0635 334 THR B OG1 5021 C CG2 . THR B 253 ? 0.1525 0.3616 0.3818 -0.0324 -0.0023 -0.0831 334 THR B CG2 5022 N N . GLY B 254 ? 0.1469 0.2639 0.2871 -0.0215 0.0354 -0.0375 335 GLY B N 5023 C CA . GLY B 254 ? 0.1399 0.2490 0.2748 -0.0147 0.0204 -0.0637 335 GLY B CA 5024 C C . GLY B 254 ? 0.1373 0.2366 0.2956 -0.0220 0.0309 -0.0456 335 GLY B C 5025 O O . GLY B 254 ? 0.1490 0.2325 0.3305 -0.0023 0.0203 -0.0360 335 GLY B O 5026 N N . SER B 255 ? 0.1406 0.2137 0.2750 -0.0054 0.0245 -0.0462 336 SER B N 5027 C CA . SER B 255 ? 0.1525 0.2111 0.2760 -0.0361 -0.0141 -0.0090 336 SER B CA 5028 C C . SER B 255 ? 0.1587 0.2237 0.2713 -0.0378 0.0044 -0.0106 336 SER B C 5029 O O . SER B 255 ? 0.1678 0.2142 0.3104 -0.0406 0.0039 -0.0375 336 SER B O 5030 C CB . SER B 255 ? 0.1910 0.2046 0.2921 -0.0365 -0.0221 0.0155 336 SER B CB 5031 O OG . SER B 255 ? 0.1993 0.2129 0.3005 -0.0282 -0.0165 0.0142 336 SER B OG 5032 N N . CYS B 256 ? 0.1709 0.2410 0.2764 -0.0207 0.0126 0.0105 337 CYS B N 5033 C CA . CYS B 256 ? 0.2026 0.2439 0.3324 -0.0151 -0.0160 0.0251 337 CYS B CA 5034 C C . CYS B 256 ? 0.1934 0.2451 0.2877 -0.0230 -0.0342 0.0131 337 CYS B C 5035 O O . CYS B 256 ? 0.1698 0.2391 0.2801 -0.0140 -0.0325 -0.0207 337 CYS B O 5036 C CB . CYS B 256 ? 0.2450 0.2522 0.4090 0.0059 -0.0103 0.0689 337 CYS B CB 5037 S SG . CYS B 256 ? 0.2879 0.2899 0.5063 -0.0142 -0.0339 0.0452 337 CYS B SG 5038 N N . THR B 257 ? 0.2146 0.2224 0.2468 -0.0097 -0.0415 0.0410 338 THR B N 5039 C CA . THR B 257 ? 0.2249 0.2301 0.2725 -0.0316 -0.0521 0.0129 338 THR B CA 5040 C C . THR B 257 ? 0.2162 0.2384 0.2511 -0.0108 -0.0519 -0.0046 338 THR B C 5041 O O . THR B 257 ? 0.2417 0.2518 0.2730 0.0226 -0.0308 -0.0290 338 THR B O 5042 C CB . THR B 257 ? 0.2374 0.2339 0.3093 -0.0617 -0.0538 0.0171 338 THR B CB 5043 O OG1 . THR B 257 ? 0.2573 0.2556 0.3484 -0.0720 -0.0492 0.0128 338 THR B OG1 5044 C CG2 . THR B 257 ? 0.2512 0.2295 0.3214 -0.0492 -0.0801 0.0324 338 THR B CG2 5045 N N . ASN B 258 ? 0.2111 0.2337 0.2233 -0.0374 -0.0520 0.0187 339 ASN B N 5046 C CA . ASN B 258 ? 0.2164 0.2340 0.2481 -0.0547 -0.0569 0.0276 339 ASN B CA 5047 C C . ASN B 258 ? 0.1759 0.2258 0.2231 -0.0439 -0.0237 0.0338 339 ASN B C 5048 O O . ASN B 258 ? 0.1494 0.2181 0.2406 -0.0603 -0.0112 0.0204 339 ASN B O 5049 C CB . ASN B 258 ? 0.2537 0.2527 0.3212 -0.0862 -0.0628 0.0294 339 ASN B CB 5050 C CG . ASN B 258 ? 0.3087 0.2832 0.4219 -0.1006 -0.0903 0.0266 339 ASN B CG 5051 O OD1 . ASN B 258 ? 0.3505 0.3165 0.5044 -0.0738 -0.0855 -0.0086 339 ASN B OD1 5052 N ND2 . ASN B 258 ? 0.3374 0.3013 0.4252 -0.1109 -0.1005 0.0230 339 ASN B ND2 5053 N N . ALA B 259 ? 0.1655 0.2299 0.1938 -0.0291 0.0086 0.0180 340 ALA B N 5054 C CA . ALA B 259 ? 0.1610 0.2143 0.2181 -0.0197 0.0294 0.0208 340 ALA B CA 5055 C C . ALA B 259 ? 0.1488 0.2047 0.2422 -0.0238 0.0360 0.0137 340 ALA B C 5056 O O . ALA B 259 ? 0.1574 0.2046 0.2634 -0.0504 0.0221 -0.0046 340 ALA B O 5057 C CB . ALA B 259 ? 0.1705 0.2051 0.2165 -0.0148 0.0409 0.0419 340 ALA B CB 5058 N N . VAL B 260 ? 0.1377 0.1875 0.2000 -0.0070 0.0243 0.0026 341 VAL B N 5059 C CA . VAL B 260 ? 0.1469 0.1968 0.2288 -0.0191 0.0172 0.0224 341 VAL B CA 5060 C C . VAL B 260 ? 0.1682 0.2072 0.2119 -0.0114 0.0265 0.0391 341 VAL B C 5061 O O . VAL B 260 ? 0.1727 0.2036 0.2378 -0.0381 0.0365 0.0155 341 VAL B O 5062 C CB . VAL B 260 ? 0.1446 0.2052 0.2485 -0.0219 0.0080 0.0005 341 VAL B CB 5063 C CG1 . VAL B 260 ? 0.1321 0.2031 0.2802 -0.0168 0.0562 -0.0156 341 VAL B CG1 5064 C CG2 . VAL B 260 ? 0.1475 0.2128 0.2201 -0.0291 0.0253 0.0044 341 VAL B CG2 5065 N N . GLY B 261 ? 0.1624 0.2410 0.1834 0.0134 0.0324 0.0299 342 GLY B N 5066 C CA . GLY B 261 ? 0.1707 0.2491 0.1671 0.0113 0.0051 0.0277 342 GLY B CA 5067 C C . GLY B 261 ? 0.1768 0.2510 0.2045 -0.0010 0.0247 0.0340 342 GLY B C 5068 O O . GLY B 261 ? 0.1678 0.2706 0.2590 0.0244 0.0535 0.0266 342 GLY B O 5069 N N . GLY B 262 ? 0.1912 0.2394 0.1994 -0.0264 0.0388 0.0362 343 GLY B N 5070 C CA . GLY B 262 ? 0.2104 0.2462 0.2116 -0.0381 0.0611 0.0283 343 GLY B CA 5071 C C . GLY B 262 ? 0.2088 0.2499 0.2146 -0.0564 0.0702 0.0182 343 GLY B C 5072 O O . GLY B 262 ? 0.1962 0.2558 0.2231 -0.0624 0.0698 0.0023 343 GLY B O 5073 N N . SER B 263 ? 0.2280 0.2658 0.2444 -0.0439 0.0806 0.0161 344 SER B N 5074 C CA . SER B 263 ? 0.2430 0.2919 0.2704 -0.0284 0.0706 0.0133 344 SER B CA 5075 C C . SER B 263 ? 0.2490 0.2839 0.2566 -0.0205 0.0881 0.0092 344 SER B C 5076 O O . SER B 263 ? 0.2691 0.2770 0.2739 -0.0110 0.0869 0.0138 344 SER B O 5077 C CB . SER B 263 ? 0.2458 0.3210 0.3246 -0.0320 0.0619 0.0163 344 SER B CB 5078 O OG . SER B 263 ? 0.2535 0.3485 0.3838 -0.0343 0.0546 0.0120 344 SER B OG 5079 N N . GLY B 264 ? 0.2417 0.2845 0.2227 -0.0177 0.1044 0.0211 345 GLY B N 5080 C CA . GLY B 264 ? 0.2245 0.2786 0.2229 -0.0258 0.0811 0.0242 345 GLY B CA 5081 C C . GLY B 264 ? 0.2085 0.2675 0.2293 -0.0360 0.0817 0.0024 345 GLY B C 5082 O O . GLY B 264 ? 0.2473 0.2844 0.2800 -0.0403 0.0785 -0.0021 345 GLY B O 5083 N N . THR B 265 ? 0.1821 0.2309 0.2288 -0.0333 0.0699 0.0078 346 THR B N 5084 C CA . THR B 265 ? 0.1547 0.1904 0.1879 -0.0272 0.0628 -0.0031 346 THR B CA 5085 C C . THR B 265 ? 0.1375 0.1793 0.1645 -0.0193 0.0488 -0.0300 346 THR B C 5086 O O . THR B 265 ? 0.1143 0.2008 0.1725 -0.0197 0.0397 -0.0091 346 THR B O 5087 C CB . THR B 265 ? 0.1413 0.1712 0.2178 -0.0277 0.0580 0.0143 346 THR B CB 5088 O OG1 . THR B 265 ? 0.1487 0.1622 0.2350 -0.0029 0.0413 0.0227 346 THR B OG1 5089 C CG2 . THR B 265 ? 0.1455 0.1751 0.2679 -0.0251 0.0848 0.0391 346 THR B CG2 5090 N N . ASN B 266 A 0.1500 0.1756 0.1592 -0.0086 0.0172 -0.0110 346 ASN B N 5091 C CA . ASN B 266 A 0.1493 0.1675 0.1649 -0.0129 0.0282 0.0158 346 ASN B CA 5092 C C . ASN B 266 A 0.1620 0.1645 0.1472 -0.0225 0.0261 0.0282 346 ASN B C 5093 O O . ASN B 266 A 0.1914 0.1752 0.1518 -0.0183 0.0196 0.0291 346 ASN B O 5094 C CB . ASN B 266 A 0.1557 0.1600 0.2196 -0.0438 0.0425 0.0328 346 ASN B CB 5095 C CG . ASN B 266 A 0.1578 0.1723 0.2434 -0.0598 0.0339 0.0652 346 ASN B CG 5096 O OD1 . ASN B 266 A 0.1812 0.2094 0.2962 -0.0642 0.0365 0.0566 346 ASN B OD1 5097 N ND2 . ASN B 266 A 0.1445 0.1605 0.2194 -0.0507 0.0012 0.0472 346 ASN B ND2 5098 N N . ASN B 267 B 0.1390 0.1577 0.1517 -0.0289 0.0377 0.0500 346 ASN B N 5099 C CA . ASN B 267 B 0.1476 0.1674 0.1320 -0.0289 0.0186 0.0541 346 ASN B CA 5100 C C . ASN B 267 B 0.1523 0.1716 0.1424 -0.0423 0.0029 0.0445 346 ASN B C 5101 O O . ASN B 267 B 0.1588 0.1992 0.1835 -0.0610 -0.0115 0.0500 346 ASN B O 5102 C CB . ASN B 267 B 0.1579 0.1807 0.1639 -0.0364 0.0302 0.0410 346 ASN B CB 5103 C CG . ASN B 267 B 0.1654 0.1811 0.2051 -0.0323 0.0065 0.0401 346 ASN B CG 5104 O OD1 . ASN B 267 B 0.1627 0.2098 0.2474 -0.0782 0.0424 0.0289 346 ASN B OD1 5105 N ND2 . ASN B 267 B 0.1653 0.1873 0.2281 -0.0156 0.0129 0.0568 346 ASN B ND2 5106 N N . TYR B 268 ? 0.1553 0.1728 0.1319 -0.0521 0.0261 0.0244 347 TYR B N 5107 C CA . TYR B 268 ? 0.1589 0.1693 0.1295 -0.0424 0.0214 0.0221 347 TYR B CA 5108 C C . TYR B 268 ? 0.1445 0.1559 0.1589 -0.0319 0.0317 0.0176 347 TYR B C 5109 O O . TYR B 268 ? 0.1341 0.1469 0.1987 -0.0390 0.0389 0.0306 347 TYR B O 5110 C CB . TYR B 268 ? 0.1707 0.1892 0.1258 -0.0489 -0.0004 0.0507 347 TYR B CB 5111 C CG . TYR B 268 ? 0.1749 0.2124 0.1620 -0.0477 -0.0184 0.0552 347 TYR B CG 5112 C CD1 . TYR B 268 ? 0.1616 0.2428 0.1742 -0.0608 -0.0499 0.0387 347 TYR B CD1 5113 C CD2 . TYR B 268 ? 0.1934 0.2252 0.2068 -0.0430 -0.0170 0.0512 347 TYR B CD2 5114 C CE1 . TYR B 268 ? 0.1952 0.2446 0.2130 -0.0567 -0.0344 0.0390 347 TYR B CE1 5115 C CE2 . TYR B 268 ? 0.1913 0.2322 0.2288 -0.0276 -0.0149 0.0485 347 TYR B CE2 5116 C CZ . TYR B 268 ? 0.1930 0.2445 0.2257 -0.0444 -0.0078 0.0635 347 TYR B CZ 5117 O OH . TYR B 268 ? 0.1983 0.2576 0.2329 -0.0230 -0.0147 0.0521 347 TYR B OH 5118 N N . GLY B 269 ? 0.1432 0.1342 0.1324 -0.0218 0.0375 0.0338 348 GLY B N 5119 C CA . GLY B 269 ? 0.1233 0.1403 0.1127 -0.0390 0.0291 0.0233 348 GLY B CA 5120 C C . GLY B 269 ? 0.1114 0.1325 0.1040 -0.0334 0.0206 0.0249 348 GLY B C 5121 O O . GLY B 269 ? 0.1161 0.1415 0.1246 -0.0160 0.0027 0.0067 348 GLY B O 5122 N N . VAL B 270 ? 0.1182 0.1377 0.1125 -0.0339 0.0310 0.0158 349 VAL B N 5123 C CA . VAL B 270 ? 0.1203 0.1247 0.1276 -0.0152 0.0123 0.0034 349 VAL B CA 5124 C C . VAL B 270 ? 0.1088 0.1405 0.1038 -0.0138 -0.0032 0.0081 349 VAL B C 5125 O O . VAL B 270 ? 0.1000 0.1563 0.1179 -0.0182 -0.0131 0.0222 349 VAL B O 5126 C CB . VAL B 270 ? 0.0998 0.1128 0.1409 -0.0089 0.0045 -0.0069 349 VAL B CB 5127 C CG1 . VAL B 270 ? 0.1132 0.1342 0.1589 0.0056 0.0053 -0.0082 349 VAL B CG1 5128 C CG2 . VAL B 270 ? 0.0955 0.1206 0.1727 -0.0309 -0.0078 0.0030 349 VAL B CG2 5129 N N . LYS B 271 ? 0.1181 0.1285 0.1062 -0.0002 0.0176 0.0182 350 LYS B N 5130 C CA . LYS B 271 ? 0.1011 0.1329 0.1317 -0.0091 0.0302 0.0364 350 LYS B CA 5131 C C . LYS B 271 ? 0.1010 0.1112 0.1312 -0.0032 0.0093 0.0190 350 LYS B C 5132 O O . LYS B 271 ? 0.1197 0.1266 0.1321 -0.0285 0.0104 0.0003 350 LYS B O 5133 C CB . LYS B 271 ? 0.0879 0.1363 0.1251 -0.0108 0.0206 0.0134 350 LYS B CB 5134 C CG . LYS B 271 ? 0.0830 0.1537 0.0916 -0.0189 0.0261 0.0190 350 LYS B CG 5135 C CD . LYS B 271 ? 0.0975 0.1873 0.0907 -0.0256 0.0362 0.0006 350 LYS B CD 5136 C CE . LYS B 271 ? 0.1145 0.1780 0.0624 -0.0286 -0.0043 -0.0221 350 LYS B CE 5137 N NZ . LYS B 271 ? 0.1357 0.1694 0.0777 -0.0342 -0.0085 -0.0172 350 LYS B NZ 5138 N N . GLY B 272 ? 0.0939 0.1092 0.1280 0.0005 0.0155 0.0335 351 GLY B N 5139 C CA . GLY B 272 ? 0.1092 0.1219 0.1243 0.0094 0.0138 0.0521 351 GLY B CA 5140 C C . GLY B 272 ? 0.1105 0.1239 0.1368 0.0123 0.0086 0.0300 351 GLY B C 5141 O O . GLY B 272 ? 0.1380 0.1198 0.1384 0.0172 -0.0307 0.0271 351 GLY B O 5142 N N . PHE B 273 ? 0.0950 0.1375 0.1430 -0.0056 0.0046 0.0305 352 PHE B N 5143 C CA . PHE B 273 ? 0.1049 0.1452 0.1352 -0.0050 -0.0034 0.0481 352 PHE B CA 5144 C C . PHE B 273 ? 0.1234 0.1587 0.1436 0.0011 -0.0279 0.0144 352 PHE B C 5145 O O . PHE B 273 ? 0.1249 0.1570 0.1692 0.0075 -0.0024 0.0039 352 PHE B O 5146 C CB . PHE B 273 ? 0.1097 0.1327 0.1413 -0.0403 0.0050 0.0292 352 PHE B CB 5147 C CG . PHE B 273 ? 0.1340 0.1277 0.1647 -0.0244 -0.0184 0.0257 352 PHE B CG 5148 C CD1 . PHE B 273 ? 0.1433 0.1330 0.1660 -0.0408 0.0055 0.0235 352 PHE B CD1 5149 C CD2 . PHE B 273 ? 0.1406 0.1417 0.1371 -0.0518 -0.0292 0.0247 352 PHE B CD2 5150 C CE1 . PHE B 273 ? 0.1455 0.1429 0.1459 -0.0381 0.0097 0.0401 352 PHE B CE1 5151 C CE2 . PHE B 273 ? 0.1486 0.1633 0.1737 -0.0565 -0.0441 0.0164 352 PHE B CE2 5152 C CZ . PHE B 273 ? 0.1397 0.1648 0.1398 -0.0493 -0.0003 0.0108 352 PHE B CZ 5153 N N . GLY B 274 ? 0.1300 0.1534 0.1274 -0.0018 -0.0502 0.0351 353 GLY B N 5154 C CA . GLY B 274 ? 0.1449 0.1551 0.1378 0.0225 -0.0361 0.0629 353 GLY B CA 5155 C C . GLY B 274 ? 0.1595 0.1530 0.1558 0.0055 -0.0145 0.0531 353 GLY B C 5156 O O . GLY B 274 ? 0.1725 0.1691 0.1745 0.0037 -0.0142 0.0321 353 GLY B O 5157 N N . PHE B 275 ? 0.1421 0.1455 0.1441 0.0067 -0.0439 0.0531 354 PHE B N 5158 C CA . PHE B 275 ? 0.1353 0.1397 0.1461 -0.0059 -0.0342 0.0303 354 PHE B CA 5159 C C . PHE B 275 ? 0.1278 0.1397 0.1392 0.0016 -0.0230 0.0190 354 PHE B C 5160 O O . PHE B 275 ? 0.1349 0.1523 0.1559 0.0343 -0.0054 0.0153 354 PHE B O 5161 C CB . PHE B 275 ? 0.1362 0.1299 0.1970 -0.0200 -0.0251 0.0334 354 PHE B CB 5162 C CG . PHE B 275 ? 0.1206 0.1342 0.1881 -0.0199 -0.0424 0.0255 354 PHE B CG 5163 C CD1 . PHE B 275 ? 0.1283 0.1369 0.1920 0.0078 -0.0486 0.0235 354 PHE B CD1 5164 C CD2 . PHE B 275 ? 0.1333 0.1295 0.1908 -0.0306 -0.0336 0.0384 354 PHE B CD2 5165 C CE1 . PHE B 275 ? 0.1389 0.1443 0.2279 0.0159 -0.0403 0.0186 354 PHE B CE1 5166 C CE2 . PHE B 275 ? 0.1432 0.1287 0.2202 0.0025 -0.0278 0.0589 354 PHE B CE2 5167 C CZ . PHE B 275 ? 0.1437 0.1475 0.2361 0.0131 -0.0271 0.0243 354 PHE B CZ 5168 N N . ARG B 276 ? 0.1240 0.1445 0.1524 -0.0112 -0.0601 0.0165 355 ARG B N 5169 C CA . ARG B 276 ? 0.1327 0.1390 0.1448 -0.0008 -0.0736 0.0325 355 ARG B CA 5170 C C . ARG B 276 ? 0.1329 0.1467 0.1677 0.0102 -0.0504 0.0386 355 ARG B C 5171 O O . ARG B 276 ? 0.1240 0.1397 0.1934 -0.0016 -0.0508 0.0097 355 ARG B O 5172 C CB . ARG B 276 ? 0.1321 0.1452 0.1219 -0.0229 -0.0640 0.0131 355 ARG B CB 5173 C CG . ARG B 276 ? 0.1334 0.1745 0.1730 -0.0134 -0.0801 -0.0097 355 ARG B CG 5174 C CD . ARG B 276 ? 0.1527 0.1969 0.1807 -0.0131 -0.0510 -0.0098 355 ARG B CD 5175 N NE . ARG B 276 ? 0.1607 0.2020 0.2034 -0.0072 -0.0690 -0.0138 355 ARG B NE 5176 C CZ . ARG B 276 ? 0.1510 0.2189 0.2091 0.0006 -0.0431 0.0011 355 ARG B CZ 5177 N NH1 . ARG B 276 ? 0.1420 0.2464 0.2440 0.0218 -0.0497 -0.0234 355 ARG B NH1 5178 N NH2 . ARG B 276 ? 0.1654 0.2240 0.2044 -0.0141 -0.0399 0.0113 355 ARG B NH2 5179 N N . GLN B 277 ? 0.1358 0.1605 0.1505 0.0442 -0.0562 0.0372 356 GLN B N 5180 C CA . GLN B 277 ? 0.1460 0.1459 0.1630 0.0433 -0.0615 0.0059 356 GLN B CA 5181 C C . GLN B 277 ? 0.1561 0.1695 0.1923 0.0316 -0.0441 0.0014 356 GLN B C 5182 O O . GLN B 277 ? 0.1452 0.1830 0.1965 0.0398 -0.0690 -0.0011 356 GLN B O 5183 C CB . GLN B 277 ? 0.1460 0.1537 0.1650 0.0595 -0.0617 0.0103 356 GLN B CB 5184 C CG . GLN B 277 ? 0.1613 0.1722 0.1476 0.0248 -0.0320 0.0133 356 GLN B CG 5185 C CD . GLN B 277 ? 0.1676 0.1590 0.1660 0.0176 -0.0402 -0.0166 356 GLN B CD 5186 O OE1 . GLN B 277 ? 0.1868 0.1704 0.2188 -0.0143 -0.0538 -0.0130 356 GLN B OE1 5187 N NE2 . GLN B 277 ? 0.1601 0.1674 0.1762 0.0259 -0.0344 -0.0151 356 GLN B NE2 5188 N N . GLY B 278 ? 0.1582 0.1664 0.2038 -0.0015 -0.0658 0.0035 357 GLY B N 5189 C CA . GLY B 278 ? 0.1730 0.1966 0.2255 -0.0148 -0.0664 0.0041 357 GLY B CA 5190 C C . GLY B 278 ? 0.1575 0.1949 0.2111 -0.0222 -0.0385 0.0076 357 GLY B C 5191 O O . GLY B 278 ? 0.1481 0.2164 0.2524 -0.0072 -0.0381 -0.0127 357 GLY B O 5192 N N . ASN B 279 ? 0.1536 0.2040 0.2102 -0.0276 -0.0495 0.0038 358 ASN B N 5193 C CA . ASN B 279 ? 0.1513 0.2207 0.2166 -0.0126 -0.0637 0.0311 358 ASN B CA 5194 C C . ASN B 279 ? 0.1479 0.1952 0.2128 -0.0039 -0.0472 0.0087 358 ASN B C 5195 O O . ASN B 279 ? 0.1589 0.1795 0.2276 -0.0083 -0.0290 -0.0005 358 ASN B O 5196 C CB . ASN B 279 ? 0.1701 0.2687 0.2420 -0.0063 -0.0796 0.0095 358 ASN B CB 5197 C CG . ASN B 279 ? 0.2039 0.2941 0.2713 0.0079 -0.0646 0.0002 358 ASN B CG 5198 O OD1 . ASN B 279 ? 0.2158 0.3057 0.2536 0.0204 -0.0676 -0.0130 358 ASN B OD1 5199 N ND2 . ASN B 279 ? 0.2145 0.3066 0.3327 0.0007 -0.0533 0.0163 358 ASN B ND2 5200 N N . SER B 280 ? 0.1479 0.1887 0.1862 0.0080 -0.0634 -0.0262 359 SER B N 5201 C CA . SER B 280 ? 0.1537 0.1941 0.2021 0.0091 -0.0698 -0.0198 359 SER B CA 5202 C C . SER B 280 ? 0.1515 0.1836 0.1628 -0.0099 -0.0494 -0.0115 359 SER B C 5203 O O . SER B 280 ? 0.1773 0.1698 0.1780 -0.0030 -0.0371 -0.0036 359 SER B O 5204 C CB . SER B 280 ? 0.1365 0.1988 0.2266 0.0374 -0.0721 -0.0154 359 SER B CB 5205 O OG . SER B 280 ? 0.1388 0.2127 0.2429 0.0358 -0.0439 0.0061 359 SER B OG 5206 N N . VAL B 281 ? 0.1441 0.1791 0.1656 -0.0059 -0.0560 0.0143 360 VAL B N 5207 C CA . VAL B 281 ? 0.1218 0.1724 0.1882 0.0009 -0.0362 0.0331 360 VAL B CA 5208 C C . VAL B 281 ? 0.1390 0.1838 0.1781 0.0031 -0.0139 0.0146 360 VAL B C 5209 O O . VAL B 281 ? 0.1379 0.1878 0.1868 0.0083 -0.0046 -0.0044 360 VAL B O 5210 C CB . VAL B 281 ? 0.1065 0.1811 0.2006 0.0020 -0.0232 0.0312 360 VAL B CB 5211 C CG1 . VAL B 281 ? 0.1329 0.1940 0.2001 -0.0016 -0.0261 0.0205 360 VAL B CG1 5212 C CG2 . VAL B 281 ? 0.1067 0.1849 0.2362 -0.0023 -0.0618 0.0271 360 VAL B CG2 5213 N N . TRP B 282 ? 0.1370 0.1607 0.1819 -0.0104 -0.0239 0.0218 361 TRP B N 5214 C CA . TRP B 282 ? 0.1529 0.1529 0.1447 -0.0105 -0.0146 0.0143 361 TRP B CA 5215 C C . TRP B 282 ? 0.1442 0.1707 0.1375 0.0087 -0.0166 -0.0069 361 TRP B C 5216 O O . TRP B 282 ? 0.1673 0.2179 0.1573 0.0292 0.0001 0.0093 361 TRP B O 5217 C CB . TRP B 282 ? 0.1604 0.1449 0.1855 -0.0062 -0.0053 0.0139 361 TRP B CB 5218 C CG . TRP B 282 ? 0.1673 0.1556 0.1865 -0.0044 -0.0326 0.0077 361 TRP B CG 5219 C CD1 . TRP B 282 ? 0.1600 0.1550 0.1957 0.0080 -0.0222 0.0398 361 TRP B CD1 5220 C CD2 . TRP B 282 ? 0.1742 0.1749 0.1940 -0.0047 -0.0425 0.0217 361 TRP B CD2 5221 N NE1 . TRP B 282 ? 0.1643 0.1636 0.2149 0.0006 -0.0490 0.0453 361 TRP B NE1 5222 C CE2 . TRP B 282 ? 0.1634 0.1720 0.2007 0.0002 -0.0506 0.0310 361 TRP B CE2 5223 C CE3 . TRP B 282 ? 0.1714 0.1846 0.2481 0.0009 -0.0416 0.0161 361 TRP B CE3 5224 C CZ2 . TRP B 282 ? 0.1711 0.1855 0.2174 0.0085 -0.0439 0.0361 361 TRP B CZ2 5225 C CZ3 . TRP B 282 ? 0.1623 0.1697 0.2203 0.0081 -0.0394 0.0242 361 TRP B CZ3 5226 C CH2 . TRP B 282 ? 0.1685 0.1848 0.2108 0.0155 -0.0444 0.0240 361 TRP B CH2 5227 N N . ALA B 283 ? 0.1501 0.1636 0.1368 -0.0192 -0.0276 0.0168 362 ALA B N 5228 C CA . ALA B 283 ? 0.1412 0.1665 0.1654 -0.0166 -0.0324 0.0177 362 ALA B CA 5229 C C . ALA B 283 ? 0.1406 0.1698 0.1529 0.0035 -0.0259 0.0292 362 ALA B C 5230 O O . ALA B 283 ? 0.1422 0.1689 0.1879 0.0249 -0.0167 -0.0031 362 ALA B O 5231 C CB . ALA B 283 ? 0.1390 0.1654 0.2008 -0.0350 -0.0245 0.0216 362 ALA B CB 5232 N N . GLY B 284 ? 0.1442 0.1723 0.1355 0.0176 -0.0228 0.0364 363 GLY B N 5233 C CA . GLY B 284 ? 0.1380 0.1780 0.1412 0.0153 -0.0074 0.0303 363 GLY B CA 5234 C C . GLY B 284 ? 0.1368 0.1606 0.1566 -0.0081 0.0098 0.0241 363 GLY B C 5235 O O . GLY B 284 ? 0.1447 0.1738 0.1928 0.0005 0.0101 0.0510 363 GLY B O 5236 N N . ARG B 285 ? 0.1298 0.1695 0.1523 -0.0124 0.0114 0.0024 364 ARG B N 5237 C CA . ARG B 285 ? 0.1420 0.1518 0.1396 -0.0193 0.0204 0.0212 364 ARG B CA 5238 C C . ARG B 285 ? 0.1334 0.1475 0.1371 -0.0161 -0.0034 0.0258 364 ARG B C 5239 O O . ARG B 285 ? 0.1454 0.1428 0.1576 -0.0135 -0.0039 0.0281 364 ARG B O 5240 C CB . ARG B 285 ? 0.1295 0.1434 0.1729 -0.0136 0.0210 0.0097 364 ARG B CB 5241 C CG . ARG B 285 ? 0.1059 0.1519 0.2107 -0.0032 0.0327 0.0112 364 ARG B CG 5242 C CD . ARG B 285 ? 0.1105 0.1580 0.2225 0.0157 0.0190 0.0035 364 ARG B CD 5243 N NE . ARG B 285 ? 0.1211 0.1876 0.1891 0.0205 0.0387 0.0296 364 ARG B NE 5244 C CZ . ARG B 285 ? 0.1251 0.2053 0.2249 0.0180 0.0368 0.0430 364 ARG B CZ 5245 N NH1 . ARG B 285 ? 0.1235 0.2210 0.1938 0.0083 -0.0050 0.0370 364 ARG B NH1 5246 N NH2 . ARG B 285 ? 0.1411 0.2215 0.2760 0.0141 0.0589 0.0362 364 ARG B NH2 5247 N N . THR B 286 ? 0.1273 0.1617 0.1265 -0.0159 0.0084 0.0096 365 THR B N 5248 C CA . THR B 286 ? 0.1250 0.1474 0.1325 -0.0048 0.0123 -0.0053 365 THR B CA 5249 C C . THR B 286 ? 0.1451 0.1610 0.1646 -0.0017 0.0222 -0.0126 365 THR B C 5250 O O . THR B 286 ? 0.1588 0.1663 0.1699 -0.0126 0.0144 -0.0234 365 THR B O 5251 C CB . THR B 286 ? 0.1173 0.1543 0.1711 -0.0034 0.0055 0.0310 365 THR B CB 5252 O OG1 . THR B 286 ? 0.1462 0.1651 0.1579 -0.0098 0.0133 0.0134 365 THR B OG1 5253 C CG2 . THR B 286 ? 0.1133 0.1362 0.2091 0.0146 0.0093 0.0082 365 THR B CG2 5254 N N . VAL B 287 ? 0.1299 0.1765 0.1752 0.0061 0.0211 -0.0220 366 VAL B N 5255 C CA . VAL B 287 ? 0.1265 0.1888 0.1775 0.0039 0.0603 -0.0111 366 VAL B CA 5256 C C . VAL B 287 ? 0.1302 0.2023 0.1842 0.0044 0.0540 0.0087 366 VAL B C 5257 O O . VAL B 287 ? 0.1340 0.2264 0.2525 -0.0052 0.0500 0.0212 366 VAL B O 5258 C CB . VAL B 287 ? 0.1307 0.1942 0.1728 -0.0121 0.0411 -0.0190 366 VAL B CB 5259 C CG1 . VAL B 287 ? 0.1298 0.2200 0.2069 -0.0049 0.0176 -0.0453 366 VAL B CG1 5260 C CG2 . VAL B 287 ? 0.1381 0.1898 0.1843 -0.0159 0.0588 -0.0002 366 VAL B CG2 5261 N N . SER B 288 ? 0.1568 0.1869 0.1955 -0.0142 0.0474 0.0214 367 SER B N 5262 C CA . SER B 288 ? 0.1511 0.1885 0.2029 -0.0292 0.0353 0.0164 367 SER B CA 5263 C C . SER B 288 ? 0.1430 0.1936 0.2074 -0.0343 0.0437 -0.0097 367 SER B C 5264 O O . SER B 288 ? 0.1411 0.1945 0.2231 -0.0240 0.0349 0.0080 367 SER B O 5265 C CB . SER B 288 ? 0.1747 0.1874 0.2172 -0.0351 0.0273 0.0329 367 SER B CB 5266 O OG . SER B 288 ? 0.1774 0.2024 0.2018 -0.0301 0.0352 0.0116 367 SER B OG 5267 N N . ILE B 289 ? 0.1445 0.2041 0.2061 -0.0178 0.0442 -0.0008 368 ILE B N 5268 C CA . ILE B 289 ? 0.1571 0.2171 0.2268 -0.0105 0.0485 0.0162 368 ILE B CA 5269 C C . ILE B 289 ? 0.1756 0.2182 0.2120 -0.0050 0.0685 0.0235 368 ILE B C 5270 O O . ILE B 289 ? 0.1809 0.1878 0.2741 0.0124 0.0479 0.0128 368 ILE B O 5271 C CB . ILE B 289 ? 0.1584 0.2195 0.2224 -0.0056 0.0619 0.0322 368 ILE B CB 5272 C CG1 . ILE B 289 ? 0.1514 0.2421 0.2504 0.0006 0.0798 0.0479 368 ILE B CG1 5273 C CG2 . ILE B 289 ? 0.1802 0.2115 0.2071 0.0019 0.0377 0.0110 368 ILE B CG2 5274 C CD1 . ILE B 289 ? 0.1672 0.2536 0.2533 -0.0080 0.0841 0.0472 368 ILE B CD1 5275 N N . SER B 290 ? 0.1865 0.2380 0.2064 -0.0276 0.0655 0.0263 369 SER B N 5276 C CA . SER B 290 ? 0.2157 0.2512 0.2440 -0.0418 0.0321 0.0236 369 SER B CA 5277 C C . SER B 290 ? 0.2188 0.2547 0.2840 -0.0584 0.0279 0.0370 369 SER B C 5278 O O . SER B 290 ? 0.2127 0.2480 0.4059 -0.0541 0.0192 0.0251 369 SER B O 5279 C CB . SER B 290 ? 0.2556 0.2669 0.2659 -0.0561 0.0395 0.0130 369 SER B CB 5280 O OG . SER B 290 ? 0.2761 0.3035 0.3068 -0.0552 0.0463 0.0005 369 SER B OG 5281 N N . SER B 291 ? 0.2067 0.2752 0.1795 -0.0799 0.0500 0.0400 370 SER B N 5282 C CA . SER B 291 ? 0.2200 0.2790 0.1633 -0.0557 0.0631 0.0133 370 SER B CA 5283 C C . SER B 291 ? 0.1694 0.2292 0.1650 -0.0427 0.0593 -0.0087 370 SER B C 5284 O O . SER B 291 ? 0.1596 0.2217 0.2009 -0.0305 0.0413 -0.0325 370 SER B O 5285 C CB . SER B 291 ? 0.2590 0.3234 0.1154 -0.0619 0.0851 0.0045 370 SER B CB 5286 O OG . SER B 291 ? 0.3062 0.3673 0.2773 -0.0483 0.0906 0.0145 370 SER B OG 5287 N N . ARG B 292 ? 0.1454 0.1842 0.1538 -0.0220 0.0591 0.0003 371 ARG B N 5288 C CA . ARG B 292 ? 0.1389 0.1520 0.1738 -0.0018 0.0478 0.0113 371 ARG B CA 5289 C C . ARG B 292 ? 0.1524 0.1607 0.1764 -0.0129 0.0418 0.0244 371 ARG B C 5290 O O . ARG B 292 ? 0.1453 0.1592 0.1731 -0.0131 0.0122 0.0024 371 ARG B O 5291 C CB . ARG B 292 ? 0.1246 0.1381 0.2128 0.0041 0.0000 -0.0017 371 ARG B CB 5292 C CG . ARG B 292 ? 0.1363 0.1332 0.2073 0.0100 0.0098 0.0153 371 ARG B CG 5293 C CD . ARG B 292 ? 0.1394 0.1149 0.1919 0.0052 0.0146 -0.0191 371 ARG B CD 5294 N NE . ARG B 292 ? 0.1646 0.1443 0.1349 -0.0010 -0.0236 -0.0019 371 ARG B NE 5295 C CZ . ARG B 292 ? 0.1599 0.1508 0.1542 -0.0114 -0.0115 0.0155 371 ARG B CZ 5296 N NH1 . ARG B 292 ? 0.1499 0.1692 0.1772 -0.0255 -0.0206 0.0113 371 ARG B NH1 5297 N NH2 . ARG B 292 ? 0.1669 0.1589 0.1785 -0.0294 0.0235 0.0156 371 ARG B NH2 5298 N N A SER B 293 ? 0.1690 0.1627 0.1616 -0.0129 0.0410 0.0312 372 SER B N 5299 N N B SER B 293 ? 0.1713 0.1646 0.1530 -0.0158 0.0532 0.0199 372 SER B N 5300 C CA A SER B 293 ? 0.1786 0.1644 0.1500 -0.0084 0.0304 0.0256 372 SER B CA 5301 C CA B SER B 293 ? 0.1784 0.1687 0.1259 -0.0107 0.0449 -0.0061 372 SER B CA 5302 C C A SER B 293 ? 0.1684 0.1618 0.1486 -0.0010 0.0256 0.0263 372 SER B C 5303 C C B SER B 293 ? 0.1608 0.1629 0.1523 -0.0011 0.0369 0.0112 372 SER B C 5304 O O A SER B 293 ? 0.1594 0.1578 0.1364 -0.0047 0.0260 0.0268 372 SER B O 5305 O O B SER B 293 ? 0.1441 0.1571 0.1512 -0.0048 0.0596 0.0164 372 SER B O 5306 C CB A SER B 293 ? 0.1876 0.1778 0.1963 -0.0119 0.0183 0.0389 372 SER B CB 5307 C CB B SER B 293 ? 0.1854 0.1982 0.1887 -0.0146 0.0358 0.0006 372 SER B CB 5308 O OG A SER B 293 ? 0.1982 0.1862 0.2146 -0.0046 0.0006 0.0464 372 SER B OG 5309 O OG B SER B 293 ? 0.1911 0.2164 0.2166 -0.0030 0.0326 0.0081 372 SER B OG 5310 N N . GLY B 294 ? 0.1739 0.1626 0.1304 0.0081 0.0381 0.0288 373 GLY B N 5311 C CA . GLY B 294 ? 0.1547 0.1456 0.1036 0.0278 0.0280 0.0191 373 GLY B CA 5312 C C . GLY B 294 ? 0.1395 0.1445 0.1291 0.0012 0.0061 0.0293 373 GLY B C 5313 O O . GLY B 294 ? 0.1412 0.1345 0.1484 -0.0018 0.0212 0.0352 373 GLY B O 5314 N N . PHE B 295 ? 0.1188 0.1486 0.1121 -0.0114 0.0126 0.0126 374 PHE B N 5315 C CA . PHE B 295 ? 0.1108 0.1404 0.1449 0.0175 0.0087 0.0054 374 PHE B CA 5316 C C . PHE B 295 ? 0.1273 0.1288 0.1507 0.0102 -0.0128 0.0346 374 PHE B C 5317 O O . PHE B 295 ? 0.1305 0.1291 0.1578 -0.0006 0.0071 0.0269 374 PHE B O 5318 C CB . PHE B 295 ? 0.1245 0.1194 0.1392 0.0065 0.0473 -0.0161 374 PHE B CB 5319 C CG . PHE B 295 ? 0.1259 0.1105 0.1620 0.0017 0.0306 -0.0290 374 PHE B CG 5320 C CD1 . PHE B 295 ? 0.1199 0.1110 0.1935 0.0053 0.0231 -0.0169 374 PHE B CD1 5321 C CD2 . PHE B 295 ? 0.1212 0.1095 0.1744 -0.0106 0.0448 -0.0168 374 PHE B CD2 5322 C CE1 . PHE B 295 ? 0.1156 0.1351 0.1627 0.0110 0.0011 -0.0470 374 PHE B CE1 5323 C CE2 . PHE B 295 ? 0.1224 0.1049 0.1963 0.0148 0.0136 -0.0130 374 PHE B CE2 5324 C CZ . PHE B 295 ? 0.1193 0.1357 0.1756 0.0035 -0.0250 -0.0041 374 PHE B CZ 5325 N N . GLU B 296 ? 0.1296 0.1504 0.1638 0.0236 -0.0360 0.0040 375 GLU B N 5326 C CA . GLU B 296 ? 0.1365 0.1643 0.1621 0.0221 -0.0141 0.0088 375 GLU B CA 5327 C C . GLU B 296 ? 0.1596 0.1598 0.1695 0.0121 -0.0187 -0.0081 375 GLU B C 5328 O O . GLU B 296 ? 0.1698 0.1629 0.1555 0.0018 -0.0023 -0.0071 375 GLU B O 5329 C CB . GLU B 296 ? 0.1370 0.1794 0.2209 -0.0066 0.0451 -0.0030 375 GLU B CB 5330 C CG . GLU B 296 ? 0.1408 0.1934 0.2925 -0.0288 0.0731 -0.0060 375 GLU B CG 5331 C CD . GLU B 296 ? 0.1660 0.2060 0.3603 -0.0413 0.0588 -0.0331 375 GLU B CD 5332 O OE1 . GLU B 296 ? 0.1906 0.2331 0.4167 -0.0513 0.0583 -0.0356 375 GLU B OE1 5333 O OE2 . GLU B 296 ? 0.1706 0.2194 0.3690 -0.0415 0.0518 -0.0707 375 GLU B OE2 5334 N N . ILE B 297 ? 0.1582 0.1624 0.1632 0.0129 -0.0301 0.0199 376 ILE B N 5335 C CA . ILE B 297 ? 0.1483 0.1839 0.1218 0.0133 -0.0511 0.0244 376 ILE B CA 5336 C C . ILE B 297 ? 0.1388 0.1795 0.1719 0.0269 -0.0582 0.0149 376 ILE B C 5337 O O . ILE B 297 ? 0.1635 0.1726 0.2115 0.0264 -0.0626 0.0118 376 ILE B O 5338 C CB . ILE B 297 ? 0.1654 0.2085 0.1458 0.0013 -0.0552 -0.0018 376 ILE B CB 5339 C CG1 . ILE B 297 ? 0.1855 0.2243 0.2068 -0.0093 -0.0281 -0.0296 376 ILE B CG1 5340 C CG2 . ILE B 297 ? 0.1804 0.1993 0.1759 -0.0050 -0.0476 0.0004 376 ILE B CG2 5341 C CD1 . ILE B 297 ? 0.2098 0.2478 0.2492 -0.0256 -0.0096 -0.0312 376 ILE B CD1 5342 N N . LEU B 298 ? 0.1250 0.2043 0.1401 0.0186 -0.0557 -0.0031 377 LEU B N 5343 C CA . LEU B 298 ? 0.1311 0.2146 0.1362 0.0030 -0.0331 0.0374 377 LEU B CA 5344 C C . LEU B 298 ? 0.1416 0.1952 0.1586 0.0147 -0.0326 0.0302 377 LEU B C 5345 O O . LEU B 298 ? 0.1644 0.1933 0.1847 0.0248 -0.0275 0.0184 377 LEU B O 5346 C CB . LEU B 298 ? 0.1601 0.2644 0.1488 -0.0319 0.0273 0.0603 377 LEU B CB 5347 C CG . LEU B 298 ? 0.1948 0.3167 0.2098 -0.0586 0.0378 0.1003 377 LEU B CG 5348 C CD1 . LEU B 298 ? 0.2244 0.3461 0.2979 -0.0505 0.0307 0.0804 377 LEU B CD1 5349 C CD2 . LEU B 298 ? 0.2044 0.3349 0.2392 -0.0833 0.0485 0.0971 377 LEU B CD2 5350 N N . LEU B 299 ? 0.1356 0.1976 0.1601 0.0201 -0.0275 0.0161 378 LEU B N 5351 C CA . LEU B 299 ? 0.1500 0.1746 0.1848 0.0143 -0.0408 0.0180 378 LEU B CA 5352 C C . LEU B 299 ? 0.1378 0.1740 0.2335 0.0256 -0.0279 0.0031 378 LEU B C 5353 O O . LEU B 299 ? 0.1681 0.1740 0.2490 0.0380 -0.0337 0.0122 378 LEU B O 5354 C CB . LEU B 299 ? 0.1896 0.1749 0.1727 0.0149 -0.0103 0.0353 378 LEU B CB 5355 C CG . LEU B 299 ? 0.2030 0.1684 0.1927 0.0184 -0.0149 0.0348 378 LEU B CG 5356 C CD1 . LEU B 299 ? 0.2076 0.1903 0.2017 0.0246 -0.0359 0.0089 378 LEU B CD1 5357 C CD2 . LEU B 299 ? 0.2081 0.1814 0.1971 0.0080 -0.0035 0.0457 378 LEU B CD2 5358 N N . ILE B 300 ? 0.1236 0.1770 0.2352 -0.0097 -0.0487 0.0036 379 ILE B N 5359 C CA . ILE B 300 ? 0.1372 0.1856 0.2257 0.0095 -0.0481 0.0038 379 ILE B CA 5360 C C . ILE B 300 ? 0.1396 0.1959 0.2463 0.0076 -0.0585 0.0057 379 ILE B C 5361 O O . ILE B 300 ? 0.1502 0.2110 0.2276 0.0073 -0.0279 0.0135 379 ILE B O 5362 C CB . ILE B 300 ? 0.1487 0.1852 0.2049 0.0091 -0.0368 -0.0006 379 ILE B CB 5363 C CG1 . ILE B 300 ? 0.1832 0.2009 0.2093 0.0116 -0.0523 0.0125 379 ILE B CG1 5364 C CG2 . ILE B 300 ? 0.1480 0.1909 0.2734 0.0039 -0.0283 -0.0117 379 ILE B CG2 5365 C CD1 . ILE B 300 ? 0.1982 0.2011 0.2387 0.0230 -0.0339 0.0258 379 ILE B CD1 5366 N N . GLU B 301 ? 0.1387 0.2170 0.2707 0.0147 -0.0786 0.0176 380 GLU B N 5367 C CA . GLU B 301 ? 0.1656 0.2372 0.2856 0.0304 -0.0671 0.0213 380 GLU B CA 5368 C C . GLU B 301 ? 0.1656 0.2382 0.2829 0.0238 -0.0413 0.0098 380 GLU B C 5369 O O . GLU B 301 ? 0.1649 0.2256 0.2579 0.0125 -0.0085 0.0051 380 GLU B O 5370 C CB . GLU B 301 ? 0.1802 0.2667 0.3325 0.0496 -0.0645 0.0294 380 GLU B CB 5371 C CG . GLU B 301 ? 0.2211 0.3055 0.4185 0.0700 -0.0536 0.0526 380 GLU B CG 5372 C CD . GLU B 301 ? 0.2694 0.3548 0.5167 0.0833 -0.0296 0.0656 380 GLU B CD 5373 O OE1 . GLU B 301 ? 0.2772 0.3823 0.5463 0.0841 -0.0127 0.0524 380 GLU B OE1 5374 O OE2 . GLU B 301 ? 0.3128 0.3730 0.5756 0.0895 -0.0185 0.0773 380 GLU B OE2 5375 N N . ASP B 302 ? 0.1499 0.2400 0.2374 0.0205 -0.0319 -0.0242 381 ASP B N 5376 C CA . ASP B 302 ? 0.1452 0.2452 0.2754 0.0049 -0.0537 -0.0170 381 ASP B CA 5377 C C . ASP B 302 ? 0.1397 0.2329 0.2515 -0.0078 -0.0453 0.0015 381 ASP B C 5378 O O . ASP B 302 ? 0.1461 0.2582 0.2775 -0.0128 -0.0621 -0.0181 381 ASP B O 5379 C CB . ASP B 302 ? 0.1647 0.2688 0.3019 0.0012 -0.0772 -0.0008 381 ASP B CB 5380 C CG . ASP B 302 ? 0.1843 0.3213 0.3841 0.0097 -0.0853 0.0089 381 ASP B CG 5381 O OD1 . ASP B 302 ? 0.2024 0.3432 0.4034 0.0158 -0.0916 0.0215 381 ASP B OD1 5382 O OD2 . ASP B 302 ? 0.2133 0.3362 0.4280 0.0326 -0.0756 0.0129 381 ASP B OD2 5383 N N . GLY B 303 ? 0.1296 0.2103 0.2223 -0.0150 -0.0440 0.0216 382 GLY B N 5384 C CA . GLY B 303 ? 0.1262 0.1968 0.2147 -0.0075 -0.0216 0.0183 382 GLY B CA 5385 C C . GLY B 303 ? 0.1429 0.2069 0.2487 -0.0074 -0.0398 0.0174 382 GLY B C 5386 O O . GLY B 303 ? 0.1518 0.2047 0.2492 -0.0061 -0.0433 0.0162 382 GLY B O 5387 N N . TRP B 304 ? 0.1242 0.2114 0.2526 0.0028 -0.0458 -0.0004 383 TRP B N 5388 C CA . TRP B 304 ? 0.1434 0.2175 0.2327 0.0084 -0.0357 0.0028 383 TRP B CA 5389 C C . TRP B 304 ? 0.1628 0.2217 0.2431 -0.0131 -0.0263 -0.0099 383 TRP B C 5390 O O . TRP B 304 ? 0.2063 0.2276 0.2978 -0.0377 -0.0116 -0.0213 383 TRP B O 5391 C CB . TRP B 304 ? 0.1306 0.1997 0.2380 0.0259 -0.0287 -0.0033 383 TRP B CB 5392 C CG . TRP B 304 ? 0.1549 0.1980 0.2531 -0.0034 -0.0136 -0.0183 383 TRP B CG 5393 C CD1 . TRP B 304 ? 0.1461 0.1723 0.2710 0.0035 -0.0008 -0.0261 383 TRP B CD1 5394 C CD2 . TRP B 304 ? 0.1504 0.1965 0.2333 -0.0013 -0.0125 0.0105 383 TRP B CD2 5395 N NE1 . TRP B 304 ? 0.1535 0.1905 0.2827 -0.0099 -0.0105 -0.0146 383 TRP B NE1 5396 C CE2 . TRP B 304 ? 0.1492 0.1989 0.2388 0.0080 -0.0336 0.0249 383 TRP B CE2 5397 C CE3 . TRP B 304 ? 0.1418 0.2129 0.2045 0.0123 -0.0144 0.0387 383 TRP B CE3 5398 C CZ2 . TRP B 304 ? 0.1512 0.2112 0.2128 0.0102 -0.0518 0.0152 383 TRP B CZ2 5399 C CZ3 . TRP B 304 ? 0.1602 0.2150 0.2002 0.0151 -0.0291 0.0321 383 TRP B CZ3 5400 C CH2 . TRP B 304 ? 0.1548 0.2144 0.1879 0.0106 -0.0341 0.0238 383 TRP B CH2 5401 N N . ILE B 305 ? 0.1525 0.2415 0.2476 -0.0277 -0.0281 -0.0202 384 ILE B N 5402 C CA . ILE B 305 ? 0.1804 0.2550 0.2576 -0.0520 -0.0316 -0.0087 384 ILE B CA 5403 C C . ILE B 305 ? 0.2085 0.2663 0.2634 -0.0389 -0.0261 -0.0126 384 ILE B C 5404 O O . ILE B 305 ? 0.2096 0.2775 0.2731 -0.0541 -0.0004 -0.0124 384 ILE B O 5405 C CB . ILE B 305 ? 0.2004 0.2789 0.2722 -0.0497 -0.0499 0.0051 384 ILE B CB 5406 C CG1 . ILE B 305 ? 0.2211 0.2947 0.2568 -0.0478 -0.1174 0.0473 384 ILE B CG1 5407 C CG2 . ILE B 305 ? 0.2226 0.2935 0.2966 -0.0411 -0.0256 0.0176 384 ILE B CG2 5408 C CD1 . ILE B 305 ? 0.2298 0.3126 0.2644 -0.0677 -0.1584 0.0438 384 ILE B CD1 5409 N N . ARG B 306 ? 0.2121 0.2698 0.2538 -0.0165 -0.0485 0.0220 385 ARG B N 5410 C CA . ARG B 306 ? 0.1978 0.2612 0.2629 -0.0053 -0.0687 0.0298 385 ARG B CA 5411 C C . ARG B 306 ? 0.1874 0.2335 0.2978 -0.0060 -0.0507 0.0108 385 ARG B C 5412 O O . ARG B 306 ? 0.1770 0.2172 0.2939 -0.0058 -0.0659 0.0191 385 ARG B O 5413 C CB . ARG B 306 ? 0.2221 0.2852 0.3129 0.0108 -0.0921 0.0235 385 ARG B CB 5414 C CG . ARG B 306 ? 0.2212 0.2960 0.3891 0.0156 -0.1139 0.0108 385 ARG B CG 5415 C CD . ARG B 306 ? 0.2515 0.3169 0.4816 0.0303 -0.0905 0.0274 385 ARG B CD 5416 N NE . ARG B 306 ? 0.2644 0.3371 0.5593 0.0506 -0.0713 0.0255 385 ARG B NE 5417 C CZ . ARG B 306 ? 0.2649 0.3551 0.5824 0.0627 -0.0555 0.0302 385 ARG B CZ 5418 N NH1 . ARG B 306 ? 0.2541 0.3669 0.5866 0.0680 -0.0602 0.0455 385 ARG B NH1 5419 N NH2 . ARG B 306 ? 0.2710 0.3511 0.6071 0.0447 -0.0429 0.0307 385 ARG B NH2 5420 N N . THR B 307 ? 0.1607 0.2227 0.3079 -0.0274 -0.0182 0.0277 387 THR B N 5421 C CA . THR B 307 ? 0.1616 0.2356 0.3071 -0.0231 -0.0190 0.0314 387 THR B CA 5422 C C . THR B 307 ? 0.1582 0.2431 0.3203 -0.0126 -0.0336 0.0608 387 THR B C 5423 O O . THR B 307 ? 0.1762 0.2603 0.3581 -0.0113 -0.0256 0.0413 387 THR B O 5424 C CB . THR B 307 ? 0.1595 0.2500 0.3383 -0.0268 -0.0228 0.0159 387 THR B CB 5425 O OG1 . THR B 307 ? 0.1433 0.2724 0.3560 -0.0289 -0.0168 0.0011 387 THR B OG1 5426 C CG2 . THR B 307 ? 0.1673 0.2566 0.3217 -0.0286 -0.0432 0.0238 387 THR B CG2 5427 N N . SER B 308 ? 0.1625 0.2180 0.3115 -0.0146 -0.0464 0.0759 388 SER B N 5428 C CA . SER B 308 ? 0.1645 0.2131 0.3231 -0.0176 -0.0297 0.0533 388 SER B CA 5429 C C . SER B 308 ? 0.1548 0.2229 0.3212 0.0076 -0.0313 0.0143 388 SER B C 5430 O O . SER B 308 ? 0.1501 0.2335 0.3468 0.0193 -0.0308 0.0068 388 SER B O 5431 C CB . SER B 308 ? 0.1783 0.2151 0.3271 -0.0357 -0.0145 0.0667 388 SER B CB 5432 O OG . SER B 308 ? 0.2020 0.2153 0.3740 -0.0413 -0.0300 0.0530 388 SER B OG 5433 N N . LYS B 309 ? 0.1473 0.2383 0.3080 0.0070 -0.0337 0.0058 389 LYS B N 5434 C CA . LYS B 309 ? 0.1603 0.2576 0.2904 0.0068 -0.0073 0.0073 389 LYS B CA 5435 C C . LYS B 309 ? 0.1754 0.2692 0.3175 0.0215 -0.0450 -0.0048 389 LYS B C 5436 O O . LYS B 309 ? 0.2164 0.2768 0.3728 0.0211 -0.0632 -0.0111 389 LYS B O 5437 C CB . LYS B 309 ? 0.1592 0.2781 0.2972 -0.0095 0.0276 0.0257 389 LYS B CB 5438 C CG . LYS B 309 ? 0.1769 0.2996 0.3250 -0.0038 0.0471 0.0332 389 LYS B CG 5439 C CD . LYS B 309 ? 0.1872 0.3153 0.3451 0.0049 0.0416 0.0562 389 LYS B CD 5440 C CE . LYS B 309 ? 0.1935 0.3044 0.3673 0.0070 0.0256 0.0559 389 LYS B CE 5441 N NZ . LYS B 309 ? 0.1936 0.3010 0.3575 0.0176 0.0211 0.0482 389 LYS B NZ 5442 N N . THR B 310 ? 0.1610 0.2619 0.3300 0.0313 -0.0496 0.0094 390 THR B N 5443 C CA . THR B 310 ? 0.1633 0.2557 0.3222 0.0137 -0.0468 -0.0028 390 THR B CA 5444 C C . THR B 310 ? 0.1561 0.2636 0.3078 0.0201 -0.0351 -0.0208 390 THR B C 5445 O O . THR B 310 ? 0.1567 0.2726 0.3147 0.0068 -0.0190 -0.0169 390 THR B O 5446 C CB . THR B 310 ? 0.1963 0.2546 0.3698 0.0100 -0.0706 0.0045 390 THR B CB 5447 O OG1 . THR B 310 ? 0.2091 0.2723 0.4176 0.0117 -0.0730 0.0026 390 THR B OG1 5448 C CG2 . THR B 310 ? 0.2165 0.2515 0.3834 0.0096 -0.0650 0.0049 390 THR B CG2 5449 N N . ILE B 311 ? 0.1503 0.2570 0.3108 0.0325 -0.0378 -0.0549 391 ILE B N 5450 C CA . ILE B 311 ? 0.1622 0.2643 0.3318 0.0303 -0.0437 -0.0428 391 ILE B CA 5451 C C . ILE B 311 ? 0.1845 0.2690 0.3566 0.0460 -0.0308 -0.0311 391 ILE B C 5452 O O . ILE B 311 ? 0.2055 0.2822 0.3968 0.0646 0.0124 -0.0530 391 ILE B O 5453 C CB . ILE B 311 ? 0.1775 0.2846 0.3097 0.0146 -0.0605 -0.0189 391 ILE B CB 5454 C CG1 . ILE B 311 ? 0.1989 0.3095 0.3104 0.0065 -0.0775 0.0265 391 ILE B CG1 5455 C CG2 . ILE B 311 ? 0.1733 0.2925 0.3232 0.0208 -0.0324 -0.0221 391 ILE B CG2 5456 C CD1 . ILE B 311 ? 0.2238 0.3178 0.3216 0.0076 -0.0805 0.0434 391 ILE B CD1 5457 N N . VAL B 312 ? 0.1710 0.2562 0.3460 0.0414 -0.0725 -0.0020 392 VAL B N 5458 C CA . VAL B 312 ? 0.2007 0.2522 0.3333 0.0137 -0.0764 0.0176 392 VAL B CA 5459 C C . VAL B 312 ? 0.1906 0.2348 0.3210 0.0235 -0.0747 0.0156 392 VAL B C 5460 O O . VAL B 312 ? 0.2236 0.2234 0.3647 0.0345 -0.0611 0.0193 392 VAL B O 5461 C CB . VAL B 312 ? 0.2338 0.2910 0.3643 -0.0077 -0.0864 0.0191 392 VAL B CB 5462 C CG1 . VAL B 312 ? 0.2414 0.2981 0.4085 -0.0084 -0.0990 0.0227 392 VAL B CG1 5463 C CG2 . VAL B 312 ? 0.2391 0.2960 0.3162 0.0089 -0.0563 0.0322 392 VAL B CG2 5464 N N . LYS B 313 ? 0.1737 0.2461 0.2769 0.0139 -0.0809 -0.0210 393 LYS B N 5465 C CA . LYS B 313 ? 0.1816 0.2401 0.2720 0.0044 -0.0554 -0.0164 393 LYS B CA 5466 C C . LYS B 313 ? 0.1555 0.2284 0.2856 0.0071 -0.0525 -0.0258 393 LYS B C 5467 O O . LYS B 313 ? 0.1425 0.2325 0.3035 -0.0119 -0.0304 -0.0255 393 LYS B O 5468 C CB . LYS B 313 ? 0.2090 0.2592 0.3275 -0.0134 -0.0396 0.0080 393 LYS B CB 5469 C CG . LYS B 313 ? 0.2457 0.3071 0.3592 -0.0213 -0.0259 0.0348 393 LYS B CG 5470 C CD . LYS B 313 ? 0.2681 0.3373 0.3985 -0.0294 -0.0228 0.0604 393 LYS B CD 5471 C CE . LYS B 313 ? 0.3020 0.3834 0.4448 -0.0260 -0.0237 0.0740 393 LYS B CE 5472 N NZ . LYS B 313 ? 0.3208 0.4086 0.4818 -0.0302 -0.0188 0.0761 393 LYS B NZ 5473 N N . LYS B 314 ? 0.1638 0.2160 0.3061 0.0083 -0.0667 -0.0468 394 LYS B N 5474 C CA . LYS B 314 ? 0.1791 0.2443 0.3497 0.0153 -0.0688 -0.0526 394 LYS B CA 5475 C C . LYS B 314 ? 0.1702 0.2248 0.3520 0.0340 -0.1038 -0.0610 394 LYS B C 5476 O O . LYS B 314 ? 0.1810 0.2441 0.4227 0.0383 -0.1263 -0.0894 394 LYS B O 5477 C CB . LYS B 314 ? 0.2248 0.3042 0.3963 0.0115 -0.0544 -0.0083 394 LYS B CB 5478 C CG . LYS B 314 ? 0.2845 0.3678 0.4458 0.0053 -0.0081 0.0003 394 LYS B CG 5479 C CD . LYS B 314 ? 0.3376 0.4246 0.5132 -0.0038 0.0061 0.0151 394 LYS B CD 5480 C CE . LYS B 314 ? 0.3791 0.4663 0.5513 -0.0106 0.0332 0.0055 394 LYS B CE 5481 N NZ . LYS B 314 ? 0.4081 0.4928 0.5690 -0.0112 0.0553 0.0002 394 LYS B NZ 5482 N N . VAL B 315 ? 0.1589 0.1910 0.2506 0.0321 -0.0921 -0.0202 395 VAL B N 5483 C CA . VAL B 315 ? 0.1647 0.1895 0.2201 0.0256 -0.0749 0.0015 395 VAL B CA 5484 C C . VAL B 315 ? 0.1667 0.1887 0.1884 0.0312 -0.0385 0.0017 395 VAL B C 5485 O O . VAL B 315 ? 0.1868 0.1788 0.1995 0.0231 -0.0379 0.0182 395 VAL B O 5486 C CB . VAL B 315 ? 0.2033 0.1943 0.2553 0.0182 -0.0441 0.0297 395 VAL B CB 5487 C CG1 . VAL B 315 ? 0.2177 0.2245 0.3000 0.0410 -0.0512 0.0310 395 VAL B CG1 5488 C CG2 . VAL B 315 ? 0.1851 0.1795 0.2181 -0.0125 -0.0458 0.0598 395 VAL B CG2 5489 N N . GLU B 316 ? 0.1484 0.1832 0.1561 0.0223 -0.0348 -0.0067 396 GLU B N 5490 C CA . GLU B 316 ? 0.1354 0.1733 0.1553 0.0121 -0.0317 -0.0175 396 GLU B CA 5491 C C . GLU B 316 ? 0.1226 0.1407 0.1749 -0.0115 -0.0215 0.0022 396 GLU B C 5492 O O . GLU B 316 ? 0.1374 0.1224 0.2716 -0.0118 0.0048 0.0420 396 GLU B O 5493 C CB . GLU B 316 ? 0.1643 0.1877 0.1576 0.0210 0.0120 -0.0203 396 GLU B CB 5494 C CG . GLU B 316 ? 0.1995 0.2066 0.1787 0.0278 0.0171 -0.0411 396 GLU B CG 5495 C CD . GLU B 316 ? 0.2216 0.2294 0.2463 0.0099 0.0279 -0.0120 396 GLU B CD 5496 O OE1 . GLU B 316 ? 0.2397 0.2552 0.2613 0.0012 0.0282 -0.0156 396 GLU B OE1 5497 O OE2 . GLU B 316 ? 0.2424 0.2317 0.2668 -0.0121 0.0550 0.0054 396 GLU B OE2 5498 N N . VAL B 317 ? 0.1186 0.1501 0.1525 0.0269 0.0052 0.0126 397 VAL B N 5499 C CA . VAL B 317 ? 0.1362 0.1495 0.1406 0.0163 0.0142 0.0063 397 VAL B CA 5500 C C . VAL B 317 ? 0.1369 0.1384 0.1496 0.0147 0.0278 0.0156 397 VAL B C 5501 O O . VAL B 317 ? 0.1342 0.1485 0.1486 0.0288 0.0198 0.0120 397 VAL B O 5502 C CB . VAL B 317 ? 0.1750 0.1587 0.1224 0.0110 0.0291 -0.0215 397 VAL B CB 5503 C CG1 . VAL B 317 ? 0.1628 0.1840 0.1242 0.0151 0.0201 0.0011 397 VAL B CG1 5504 C CG2 . VAL B 317 ? 0.2014 0.1574 0.1695 0.0122 0.0326 -0.0509 397 VAL B CG2 5505 N N . LEU B 318 ? 0.1329 0.1391 0.1146 0.0066 0.0072 0.0219 398 LEU B N 5506 C CA . LEU B 318 ? 0.1126 0.1419 0.0984 0.0335 0.0307 0.0243 398 LEU B CA 5507 C C . LEU B 318 ? 0.1321 0.1443 0.1236 0.0061 0.0476 -0.0167 398 LEU B C 5508 O O . LEU B 318 ? 0.1140 0.1597 0.1981 -0.0131 0.0089 0.0058 398 LEU B O 5509 C CB . LEU B 318 ? 0.1216 0.1225 0.1393 0.0229 -0.0147 0.0078 398 LEU B CB 5510 C CG . LEU B 318 ? 0.1247 0.1159 0.1640 -0.0102 0.0003 0.0053 398 LEU B CG 5511 C CD1 . LEU B 318 ? 0.1137 0.1271 0.1748 -0.0349 0.0086 -0.0171 398 LEU B CD1 5512 C CD2 . LEU B 318 ? 0.1495 0.1103 0.2001 -0.0075 -0.0124 -0.0105 398 LEU B CD2 5513 N N . ASN B 319 ? 0.1476 0.1311 0.1242 0.0305 0.0523 -0.0106 399 ASN B N 5514 C CA . ASN B 319 ? 0.1742 0.1411 0.1495 -0.0010 0.0564 -0.0009 399 ASN B CA 5515 C C . ASN B 319 ? 0.1701 0.1651 0.1230 0.0107 0.0213 0.0023 399 ASN B C 5516 O O . ASN B 319 ? 0.1564 0.1621 0.1286 0.0080 0.0291 0.0138 399 ASN B O 5517 C CB . ASN B 319 ? 0.1977 0.1499 0.2203 0.0091 0.0509 -0.0278 399 ASN B CB 5518 C CG . ASN B 319 ? 0.1972 0.1636 0.2487 0.0041 0.0765 -0.0426 399 ASN B CG 5519 O OD1 . ASN B 319 ? 0.2037 0.1785 0.2727 0.0054 0.0412 -0.0257 399 ASN B OD1 5520 N ND2 . ASN B 319 ? 0.2306 0.2052 0.2985 0.0029 0.0767 -0.0440 399 ASN B ND2 5521 N N . ASN B 320 ? 0.1589 0.1706 0.1533 -0.0038 0.0377 -0.0044 400 ASN B N 5522 C CA . ASN B 320 ? 0.1812 0.1887 0.1786 -0.0233 0.0411 0.0360 400 ASN B CA 5523 C C . ASN B 320 ? 0.2132 0.1966 0.1790 -0.0339 0.0282 0.0358 400 ASN B C 5524 O O . ASN B 320 ? 0.2627 0.2249 0.2289 -0.0525 -0.0277 0.0713 400 ASN B O 5525 C CB . ASN B 320 ? 0.1658 0.2060 0.2085 -0.0296 0.0592 0.0440 400 ASN B CB 5526 C CG . ASN B 320 ? 0.1907 0.2622 0.2617 -0.0079 0.0785 0.0271 400 ASN B CG 5527 O OD1 . ASN B 320 ? 0.1946 0.2764 0.2895 -0.0076 0.0899 0.0070 400 ASN B OD1 5528 N ND2 . ASN B 320 ? 0.2270 0.3059 0.3407 -0.0175 0.0893 0.0254 400 ASN B ND2 5529 N N . LYS B 321 ? 0.1986 0.2236 0.1531 -0.0033 0.0456 -0.0163 401 LYS B N 5530 C CA . LYS B 321 ? 0.1920 0.2578 0.1506 -0.0033 0.0806 -0.0336 401 LYS B CA 5531 C C . LYS B 321 ? 0.1803 0.2553 0.1286 0.0128 0.0487 -0.0120 401 LYS B C 5532 O O . LYS B 321 ? 0.1734 0.3088 0.1696 0.0299 0.0286 -0.0221 401 LYS B O 5533 C CB . LYS B 321 ? 0.2376 0.3042 0.2000 0.0027 0.0701 -0.0984 401 LYS B CB 5534 C CG . LYS B 321 ? 0.2998 0.3681 0.3310 -0.0155 0.0612 -0.0965 401 LYS B CG 5535 C CD . LYS B 321 ? 0.3690 0.4296 0.4321 -0.0382 0.0329 -0.1023 401 LYS B CD 5536 C CE . LYS B 321 ? 0.4031 0.4738 0.4911 -0.0528 0.0263 -0.0984 401 LYS B CE 5537 N NZ . LYS B 321 ? 0.4252 0.4976 0.5086 -0.0544 0.0329 -0.0918 401 LYS B NZ 5538 N N . ASN B 322 ? 0.1589 0.2020 0.1236 0.0041 0.0528 -0.0200 402 ASN B N 5539 C CA . ASN B 322 ? 0.1440 0.1732 0.1639 -0.0127 0.0314 -0.0107 402 ASN B CA 5540 C C . ASN B 322 ? 0.1357 0.1701 0.1392 -0.0108 0.0112 -0.0355 402 ASN B C 5541 O O . ASN B 322 ? 0.1340 0.1728 0.1585 -0.0228 0.0040 -0.0215 402 ASN B O 5542 C CB . ASN B 322 ? 0.1363 0.1769 0.1629 -0.0208 0.0187 0.0132 402 ASN B CB 5543 C CG . ASN B 322 ? 0.1538 0.1826 0.1808 -0.0191 0.0297 0.0146 402 ASN B CG 5544 O OD1 . ASN B 322 ? 0.1664 0.2222 0.1780 -0.0369 0.0334 -0.0210 402 ASN B OD1 5545 N ND2 . ASN B 322 ? 0.1833 0.1990 0.2701 -0.0238 0.0560 0.0248 402 ASN B ND2 5546 N N . TRP B 323 ? 0.1442 0.1727 0.1485 -0.0128 0.0178 -0.0070 403 TRP B N 5547 C CA . TRP B 323 ? 0.1544 0.1924 0.1443 0.0150 -0.0227 -0.0037 403 TRP B CA 5548 C C . TRP B 323 ? 0.1504 0.1779 0.1268 -0.0016 -0.0049 -0.0239 403 TRP B C 5549 O O . TRP B 323 ? 0.1398 0.1657 0.1665 -0.0118 -0.0055 -0.0138 403 TRP B O 5550 C CB . TRP B 323 ? 0.1572 0.2186 0.1128 0.0323 0.0028 0.0052 403 TRP B CB 5551 C CG . TRP B 323 ? 0.1725 0.2422 0.1094 0.0459 0.0247 0.0117 403 TRP B CG 5552 C CD1 . TRP B 323 ? 0.1770 0.2454 0.1860 0.0386 0.0244 -0.0075 403 TRP B CD1 5553 C CD2 . TRP B 323 ? 0.1815 0.2601 0.1523 0.0422 0.0437 0.0237 403 TRP B CD2 5554 N NE1 . TRP B 323 ? 0.1853 0.2578 0.1959 0.0370 0.0192 0.0071 403 TRP B NE1 5555 C CE2 . TRP B 323 ? 0.1889 0.2713 0.1855 0.0361 0.0257 0.0326 403 TRP B CE2 5556 C CE3 . TRP B 323 ? 0.1797 0.2862 0.1754 0.0428 0.0809 0.0492 403 TRP B CE3 5557 C CZ2 . TRP B 323 ? 0.1889 0.2961 0.1780 0.0176 0.0320 0.0504 403 TRP B CZ2 5558 C CZ3 . TRP B 323 ? 0.1920 0.3056 0.1940 0.0224 0.0751 0.0423 403 TRP B CZ3 5559 C CH2 . TRP B 323 ? 0.2027 0.3110 0.1768 0.0118 0.0385 0.0462 403 TRP B CH2 5560 N N . SER B 324 ? 0.1358 0.1525 0.0923 -0.0030 0.0052 -0.0082 404 SER B N 5561 C CA . SER B 324 ? 0.1425 0.1583 0.1127 0.0047 -0.0061 -0.0004 404 SER B CA 5562 C C . SER B 324 ? 0.1414 0.1502 0.0965 -0.0128 0.0006 0.0066 404 SER B C 5563 O O . SER B 324 ? 0.1248 0.1564 0.1072 -0.0188 0.0055 0.0165 404 SER B O 5564 C CB . SER B 324 ? 0.1272 0.1479 0.1151 -0.0269 0.0048 0.0136 404 SER B CB 5565 O OG . SER B 324 ? 0.1237 0.1552 0.1848 -0.0363 0.0159 0.0030 404 SER B OG 5566 N N . GLY B 325 ? 0.1435 0.1286 0.1220 -0.0096 0.0111 0.0062 405 GLY B N 5567 C CA . GLY B 325 ? 0.1532 0.1540 0.1125 0.0004 0.0259 -0.0079 405 GLY B CA 5568 C C . GLY B 325 ? 0.1317 0.1400 0.0881 0.0077 0.0272 -0.0261 405 GLY B C 5569 O O . GLY B 325 ? 0.1287 0.1594 0.1245 0.0121 0.0189 0.0005 405 GLY B O 5570 N N . TYR B 326 ? 0.1220 0.1399 0.0835 -0.0049 0.0480 -0.0376 406 TYR B N 5571 C CA . TYR B 326 ? 0.1150 0.1245 0.0910 0.0062 0.0564 -0.0020 406 TYR B CA 5572 C C . TYR B 326 ? 0.1254 0.1238 0.0844 -0.0012 0.0136 -0.0166 406 TYR B C 5573 O O . TYR B 326 ? 0.1294 0.1326 0.1210 -0.0061 -0.0016 -0.0113 406 TYR B O 5574 C CB . TYR B 326 ? 0.1190 0.1285 0.1459 0.0326 0.0284 -0.0002 406 TYR B CB 5575 C CG . TYR B 326 ? 0.1255 0.1246 0.1184 0.0085 -0.0097 -0.0003 406 TYR B CG 5576 C CD1 . TYR B 326 ? 0.1368 0.1249 0.1409 0.0030 -0.0025 0.0184 406 TYR B CD1 5577 C CD2 . TYR B 326 ? 0.1363 0.1161 0.1307 0.0083 -0.0244 0.0231 406 TYR B CD2 5578 C CE1 . TYR B 326 ? 0.1557 0.1195 0.1703 -0.0042 -0.0376 0.0086 406 TYR B CE1 5579 C CE2 . TYR B 326 ? 0.1583 0.1317 0.1395 0.0033 -0.0379 0.0304 406 TYR B CE2 5580 C CZ . TYR B 326 ? 0.1721 0.1252 0.1669 -0.0103 -0.0247 0.0232 406 TYR B CZ 5581 O OH . TYR B 326 ? 0.1888 0.1493 0.1875 0.0130 -0.0255 0.0299 406 TYR B OH 5582 N N . SER B 327 ? 0.1114 0.1176 0.0941 -0.0050 -0.0050 0.0083 407 SER B N 5583 C CA . SER B 327 ? 0.1196 0.0963 0.0840 0.0147 -0.0111 0.0072 407 SER B CA 5584 C C . SER B 327 ? 0.1236 0.1018 0.1031 0.0019 0.0084 0.0165 407 SER B C 5585 O O . SER B 327 ? 0.1452 0.1061 0.1224 -0.0184 0.0017 0.0243 407 SER B O 5586 C CB . SER B 327 ? 0.0997 0.0894 0.1470 0.0054 -0.0159 -0.0006 407 SER B CB 5587 O OG . SER B 327 ? 0.0851 0.1116 0.1814 -0.0082 -0.0122 -0.0011 407 SER B OG 5588 N N . GLY B 328 ? 0.1257 0.1206 0.0800 -0.0217 0.0208 -0.0025 408 GLY B N 5589 C CA . GLY B 328 ? 0.1352 0.1236 0.0758 -0.0271 0.0196 0.0015 408 GLY B CA 5590 C C . GLY B 328 ? 0.1391 0.1193 0.1076 -0.0046 0.0158 0.0138 408 GLY B C 5591 O O . GLY B 328 ? 0.1499 0.1417 0.1211 0.0036 -0.0140 0.0244 408 GLY B O 5592 N N . ALA B 329 ? 0.1336 0.1373 0.0957 0.0011 -0.0005 0.0102 409 ALA B N 5593 C CA . ALA B 329 ? 0.1188 0.1558 0.1142 -0.0230 -0.0112 -0.0068 409 ALA B CA 5594 C C . ALA B 329 ? 0.1271 0.1453 0.1260 -0.0159 0.0014 0.0130 409 ALA B C 5595 O O . ALA B 329 ? 0.1549 0.1520 0.1312 -0.0032 -0.0121 0.0219 409 ALA B O 5596 C CB . ALA B 329 ? 0.1156 0.2015 0.1580 -0.0511 -0.0328 -0.0067 409 ALA B CB 5597 N N . PHE B 330 ? 0.1160 0.1237 0.0955 -0.0337 -0.0024 -0.0065 410 PHE B N 5598 C CA . PHE B 330 ? 0.1109 0.1369 0.0946 -0.0107 -0.0282 0.0165 410 PHE B CA 5599 C C . PHE B 330 ? 0.1132 0.1378 0.0946 0.0103 -0.0105 0.0147 410 PHE B C 5600 O O . PHE B 330 ? 0.1185 0.1585 0.1447 0.0262 -0.0114 0.0165 410 PHE B O 5601 C CB . PHE B 330 ? 0.1228 0.1332 0.1285 -0.0235 -0.0346 0.0248 410 PHE B CB 5602 C CG . PHE B 330 ? 0.1201 0.1398 0.1486 -0.0357 -0.0306 0.0118 410 PHE B CG 5603 C CD1 . PHE B 330 ? 0.1201 0.1357 0.1835 -0.0184 -0.0355 -0.0086 410 PHE B CD1 5604 C CD2 . PHE B 330 ? 0.1335 0.1479 0.1886 -0.0146 0.0040 0.0141 410 PHE B CD2 5605 C CE1 . PHE B 330 ? 0.1188 0.1386 0.1929 -0.0013 -0.0390 0.0279 410 PHE B CE1 5606 C CE2 . PHE B 330 ? 0.1200 0.1603 0.1774 0.0047 -0.0257 0.0100 410 PHE B CE2 5607 C CZ . PHE B 330 ? 0.1239 0.1558 0.1652 0.0200 -0.0265 0.0148 410 PHE B CZ 5608 N N . THR B 331 ? 0.1248 0.1353 0.0917 -0.0159 -0.0106 0.0246 411 THR B N 5609 C CA . THR B 331 ? 0.1326 0.1407 0.1181 -0.0419 -0.0302 0.0437 411 THR B CA 5610 C C . THR B 331 ? 0.1403 0.1539 0.1531 -0.0325 -0.0033 0.0544 411 THR B C 5611 O O . THR B 331 ? 0.1405 0.1637 0.1702 -0.0394 -0.0194 0.0274 411 THR B O 5612 C CB . THR B 331 ? 0.1394 0.1516 0.1551 -0.0313 -0.0318 0.0247 411 THR B CB 5613 O OG1 . THR B 331 ? 0.1809 0.1732 0.1873 -0.0156 -0.0073 0.0061 411 THR B OG1 5614 C CG2 . THR B 331 ? 0.1419 0.1575 0.1742 -0.0479 -0.0561 0.0464 411 THR B CG2 5615 N N . ILE B 332 ? 0.1723 0.1335 0.1398 -0.0306 0.0009 0.0619 412 ILE B N 5616 C CA . ILE B 332 ? 0.1933 0.1455 0.1378 -0.0547 0.0276 0.0537 412 ILE B CA 5617 C C . ILE B 332 ? 0.2102 0.1897 0.1599 -0.0470 -0.0058 0.0592 412 ILE B C 5618 O O . ILE B 332 ? 0.2097 0.1979 0.1919 -0.0287 -0.0114 0.0419 412 ILE B O 5619 C CB . ILE B 332 ? 0.2208 0.1837 0.1934 -0.0861 0.0320 0.0248 412 ILE B CB 5620 C CG1 . ILE B 332 ? 0.2713 0.2208 0.2654 -0.1009 0.0827 -0.0162 412 ILE B CG1 5621 C CG2 . ILE B 332 ? 0.2019 0.1949 0.1627 -0.0923 0.0296 0.0196 412 ILE B CG2 5622 C CD1 . ILE B 332 ? 0.2959 0.2559 0.3262 -0.0923 0.1056 -0.0112 412 ILE B CD1 5623 N N . PRO B 333 ? 0.2429 0.2252 0.1697 -0.0289 0.0080 0.0631 413 PRO B N 5624 C CA . PRO B 333 ? 0.2788 0.2499 0.1551 -0.0183 0.0117 0.0838 413 PRO B CA 5625 C C . PRO B 333 ? 0.3112 0.2545 0.1953 -0.0400 -0.0033 0.0820 413 PRO B C 5626 O O . PRO B 333 ? 0.3008 0.2477 0.2192 -0.0331 0.0046 0.0853 413 PRO B O 5627 C CB . PRO B 333 ? 0.2767 0.2735 0.1995 0.0009 0.0218 0.0752 413 PRO B CB 5628 C CG . PRO B 333 ? 0.2696 0.2741 0.1916 -0.0046 0.0229 0.0660 413 PRO B CG 5629 C CD . PRO B 333 ? 0.2483 0.2595 0.1754 -0.0078 0.0281 0.0671 413 PRO B CD 5630 N N . ILE B 334 A 0.3516 0.2698 0.1743 -0.0688 -0.0358 0.0911 413 ILE B N 5631 C CA . ILE B 334 A 0.3874 0.2989 0.2120 -0.0885 -0.0398 0.1118 413 ILE B CA 5632 C C . ILE B 334 A 0.4029 0.3135 0.2380 -0.0834 -0.0117 0.0921 413 ILE B C 5633 O O . ILE B 334 A 0.4167 0.3171 0.2813 -0.0795 -0.0294 0.0906 413 ILE B O 5634 C CB . ILE B 334 A 0.4145 0.3390 0.2923 -0.0821 -0.0762 0.1072 413 ILE B CB 5635 C CG1 . ILE B 334 A 0.4314 0.3634 0.3258 -0.0628 -0.1004 0.0734 413 ILE B CG1 5636 C CG2 . ILE B 334 A 0.4382 0.3707 0.4039 -0.0693 -0.0677 0.0583 413 ILE B CG2 5637 C CD1 . ILE B 334 A 0.4369 0.3687 0.3211 -0.0558 -0.1052 0.0461 413 ILE B CD1 5638 N N . THR B 335 B 0.4155 0.3286 0.2857 -0.0819 0.0285 0.1027 413 THR B N 5639 C CA . THR B 335 B 0.4182 0.3633 0.3188 -0.0708 0.0623 0.0853 413 THR B CA 5640 C C . THR B 335 B 0.4145 0.3885 0.3413 -0.0953 0.0717 0.0857 413 THR B C 5641 O O . THR B 335 B 0.4222 0.4085 0.3646 -0.0886 0.0711 0.0895 413 THR B O 5642 C CB . THR B 335 B 0.4343 0.3761 0.3694 -0.0488 0.0622 0.0858 413 THR B CB 5643 O OG1 . THR B 335 B 0.4420 0.3874 0.4096 -0.0301 0.0711 0.0932 413 THR B OG1 5644 C CG2 . THR B 335 B 0.4370 0.3687 0.3845 -0.0457 0.0704 0.0708 413 THR B CG2 5645 N N . MET B 336 C 0.4171 0.3942 0.3344 -0.0946 0.0489 0.0914 413 MET B N 5646 C CA . MET B 336 C 0.4221 0.4086 0.3635 -0.0878 -0.0153 0.0715 413 MET B CA 5647 C C . MET B 336 C 0.3881 0.3925 0.3662 -0.0993 -0.0431 0.0389 413 MET B C 5648 O O . MET B 336 C 0.3709 0.3733 0.4005 -0.1178 -0.0411 0.0202 413 MET B O 5649 C CB . MET B 336 C 0.4750 0.4410 0.4460 -0.0672 -0.0501 0.0735 413 MET B CB 5650 C CG . MET B 336 C 0.5305 0.4846 0.5440 -0.0517 -0.1033 0.0567 413 MET B CG 5651 S SD . MET B 336 C 0.5771 0.5189 0.6732 -0.0267 -0.1463 0.0219 413 MET B SD 5652 C CE . MET B 336 C 0.5752 0.5145 0.6860 -0.0294 -0.1425 0.0163 413 MET B CE 5653 N N . THR B 337 D 0.3654 0.3831 0.3204 -0.0920 -0.0605 0.0237 413 THR B N 5654 C CA . THR B 337 D 0.3509 0.3555 0.2905 -0.0810 -0.0434 0.0350 413 THR B CA 5655 C C . THR B 337 D 0.3672 0.3410 0.3191 -0.0900 -0.0257 0.0377 413 THR B C 5656 O O . THR B 337 D 0.3569 0.3096 0.3147 -0.0953 -0.0324 0.0164 413 THR B O 5657 C CB . THR B 337 D 0.3251 0.3541 0.2654 -0.0785 -0.0437 0.0550 413 THR B CB 5658 O OG1 . THR B 337 D 0.2999 0.3519 0.2631 -0.0734 -0.0530 0.0680 413 THR B OG1 5659 C CG2 . THR B 337 D 0.3270 0.3626 0.2748 -0.0800 -0.0319 0.0750 413 THR B CG2 5660 N N . SER B 338 ? 0.3873 0.3588 0.3198 -0.0851 -0.0065 0.0594 414 SER B N 5661 C CA . SER B 338 ? 0.4106 0.3840 0.3961 -0.0889 -0.0037 0.0917 414 SER B CA 5662 C C . SER B 338 ? 0.4190 0.3971 0.3716 -0.0754 -0.0092 0.1272 414 SER B C 5663 O O . SER B 338 ? 0.4326 0.3968 0.3575 -0.0659 -0.0091 0.1353 414 SER B O 5664 C CB . SER B 338 ? 0.4275 0.4009 0.4720 -0.0933 0.0084 0.0924 414 SER B CB 5665 O OG . SER B 338 ? 0.4438 0.4157 0.5293 -0.0995 0.0249 0.0840 414 SER B OG 5666 N N . LYS B 339 ? 0.4109 0.3957 0.3868 -0.0775 -0.0169 0.1481 415 LYS B N 5667 C CA . LYS B 339 ? 0.4059 0.3973 0.3539 -0.0683 -0.0333 0.1607 415 LYS B CA 5668 C C . LYS B 339 ? 0.3862 0.3842 0.3422 -0.0671 -0.0274 0.1797 415 LYS B C 5669 O O . LYS B 339 ? 0.3757 0.3961 0.3547 -0.0708 -0.0261 0.1502 415 LYS B O 5670 C CB . LYS B 339 ? 0.4235 0.4134 0.3874 -0.0703 -0.0134 0.1197 415 LYS B CB 5671 C CG . LYS B 339 ? 0.4517 0.4316 0.4100 -0.0612 -0.0042 0.0760 415 LYS B CG 5672 C CD . LYS B 339 ? 0.4667 0.4483 0.4361 -0.0659 0.0183 0.0611 415 LYS B CD 5673 C CE . LYS B 339 ? 0.4846 0.4689 0.4703 -0.0666 0.0283 0.0411 415 LYS B CE 5674 N NZ . LYS B 339 ? 0.5080 0.4892 0.5241 -0.0564 0.0072 0.0363 415 LYS B NZ 5675 N N . GLN B 340 ? 0.3711 0.3635 0.2883 -0.0700 -0.0362 0.1984 416 GLN B N 5676 C CA . GLN B 340 ? 0.3735 0.3682 0.2816 -0.0637 -0.0393 0.1658 416 GLN B CA 5677 C C . GLN B 340 ? 0.3439 0.3177 0.2158 -0.0423 -0.0615 0.1383 416 GLN B C 5678 O O . GLN B 340 ? 0.3688 0.3246 0.2219 -0.0226 -0.0658 0.1090 416 GLN B O 5679 C CB . GLN B 340 ? 0.4104 0.4158 0.3010 -0.0661 -0.0509 0.1859 416 GLN B CB 5680 C CG . GLN B 340 ? 0.4565 0.4831 0.4018 -0.0564 -0.0527 0.1421 416 GLN B CG 5681 C CD . GLN B 340 ? 0.5076 0.5403 0.4892 -0.0523 -0.0638 0.1034 416 GLN B CD 5682 O OE1 . GLN B 340 ? 0.5423 0.5702 0.5605 -0.0572 -0.0538 0.0759 416 GLN B OE1 5683 N NE2 . GLN B 340 ? 0.5223 0.5557 0.5014 -0.0483 -0.0627 0.0966 416 GLN B NE2 5684 N N . CYS B 341 ? 0.2922 0.2742 0.1900 -0.0325 -0.0635 0.1194 417 CYS B N 5685 C CA . CYS B 341 ? 0.2580 0.2394 0.2088 -0.0128 -0.0641 0.0653 417 CYS B CA 5686 C C . CYS B 341 ? 0.2367 0.2029 0.1843 -0.0047 -0.0632 0.0733 417 CYS B C 5687 O O . CYS B 341 ? 0.2339 0.2073 0.2401 -0.0127 -0.0775 0.0799 417 CYS B O 5688 C CB . CYS B 341 ? 0.2687 0.2379 0.2667 -0.0173 -0.0606 0.0390 417 CYS B CB 5689 S SG . CYS B 341 ? 0.2751 0.2364 0.3066 -0.0131 -0.0440 0.0459 417 CYS B SG 5690 N N . LEU B 342 ? 0.2160 0.1658 0.1335 0.0105 -0.0417 0.0563 418 LEU B N 5691 C CA . LEU B 342 ? 0.2068 0.1570 0.1374 0.0018 -0.0375 0.0230 418 LEU B CA 5692 C C . LEU B 342 ? 0.1967 0.1629 0.1391 -0.0148 -0.0523 0.0143 418 LEU B C 5693 O O . LEU B 342 ? 0.1802 0.1905 0.1983 -0.0232 -0.0305 0.0053 418 LEU B O 5694 C CB . LEU B 342 ? 0.2128 0.1429 0.1571 -0.0054 -0.0350 0.0412 418 LEU B CB 5695 C CG . LEU B 342 ? 0.2340 0.1483 0.1869 -0.0252 0.0019 0.0335 418 LEU B CG 5696 C CD1 . LEU B 342 ? 0.2597 0.1425 0.2041 -0.0291 -0.0261 0.0134 418 LEU B CD1 5697 C CD2 . LEU B 342 ? 0.2389 0.1685 0.2396 -0.0235 0.0148 0.0475 418 LEU B CD2 5698 N N . VAL B 343 ? 0.1968 0.1486 0.1175 -0.0261 -0.0255 0.0158 419 VAL B N 5699 C CA . VAL B 343 ? 0.1882 0.1334 0.1456 -0.0301 -0.0351 -0.0033 419 VAL B CA 5700 C C . VAL B 343 ? 0.1743 0.1435 0.1568 -0.0191 -0.0284 0.0219 419 VAL B C 5701 O O . VAL B 343 ? 0.2014 0.1465 0.1629 -0.0110 -0.0378 0.0387 419 VAL B O 5702 C CB . VAL B 343 ? 0.2011 0.1255 0.1743 -0.0415 -0.0162 0.0423 419 VAL B CB 5703 C CG1 . VAL B 343 ? 0.1995 0.1487 0.2092 -0.0479 -0.0163 0.0391 419 VAL B CG1 5704 C CG2 . VAL B 343 ? 0.2242 0.1270 0.1738 -0.0474 -0.0167 0.0301 419 VAL B CG2 5705 N N . PRO B 344 ? 0.1534 0.1375 0.1057 -0.0136 -0.0232 0.0264 420 PRO B N 5706 C CA . PRO B 344 ? 0.1559 0.1565 0.1257 -0.0210 -0.0214 0.0130 420 PRO B CA 5707 C C . PRO B 344 ? 0.1548 0.1562 0.1093 -0.0166 -0.0305 0.0113 420 PRO B C 5708 O O . PRO B 344 ? 0.1632 0.1498 0.1550 -0.0023 -0.0490 0.0162 420 PRO B O 5709 C CB . PRO B 344 ? 0.1504 0.1516 0.1782 -0.0082 -0.0054 0.0410 420 PRO B CB 5710 C CG . PRO B 344 ? 0.1518 0.1454 0.1867 -0.0054 -0.0132 0.0766 420 PRO B CG 5711 C CD . PRO B 344 ? 0.1495 0.1579 0.1545 -0.0057 0.0005 0.0452 420 PRO B CD 5712 N N . CYS B 345 ? 0.1310 0.1610 0.0835 -0.0107 -0.0467 0.0184 421 CYS B N 5713 C CA . CYS B 345 ? 0.1292 0.1369 0.1197 -0.0032 -0.0347 0.0140 421 CYS B CA 5714 C C . CYS B 345 ? 0.1356 0.1417 0.0945 0.0028 -0.0219 0.0108 421 CYS B C 5715 O O . CYS B 345 ? 0.1536 0.1519 0.1441 -0.0083 -0.0328 0.0070 421 CYS B O 5716 C CB . CYS B 345 ? 0.1443 0.1403 0.1381 -0.0100 -0.0141 0.0327 421 CYS B CB 5717 S SG . CYS B 345 ? 0.1714 0.1361 0.1549 -0.0045 -0.0120 0.0004 421 CYS B SG 5718 N N . PHE B 346 ? 0.1315 0.1215 0.1019 0.0136 -0.0082 0.0330 422 PHE B N 5719 C CA . PHE B 346 ? 0.0996 0.1203 0.0957 0.0091 -0.0039 0.0201 422 PHE B CA 5720 C C . PHE B 346 ? 0.1146 0.1166 0.1179 0.0027 -0.0209 0.0100 422 PHE B C 5721 O O . PHE B 346 ? 0.1169 0.1325 0.1503 -0.0071 0.0175 0.0245 422 PHE B O 5722 C CB . PHE B 346 ? 0.0960 0.1275 0.1560 -0.0088 0.0288 0.0081 422 PHE B CB 5723 C CG . PHE B 346 ? 0.1028 0.1354 0.1544 -0.0242 0.0241 0.0054 422 PHE B CG 5724 C CD1 . PHE B 346 ? 0.1064 0.1272 0.1854 -0.0236 0.0113 -0.0056 422 PHE B CD1 5725 C CD2 . PHE B 346 ? 0.1110 0.1340 0.1472 -0.0100 0.0350 -0.0066 422 PHE B CD2 5726 C CE1 . PHE B 346 ? 0.1302 0.1470 0.1703 -0.0247 0.0356 -0.0191 422 PHE B CE1 5727 C CE2 . PHE B 346 ? 0.1259 0.1368 0.2070 -0.0115 0.0320 -0.0021 422 PHE B CE2 5728 C CZ . PHE B 346 ? 0.1402 0.1485 0.2078 -0.0212 0.0261 -0.0187 422 PHE B CZ 5729 N N . TRP B 347 ? 0.1169 0.1297 0.1148 0.0165 -0.0203 0.0233 423 TRP B N 5730 C CA . TRP B 347 ? 0.1114 0.1249 0.1011 0.0090 0.0081 -0.0192 423 TRP B CA 5731 C C . TRP B 347 ? 0.1130 0.1286 0.1292 -0.0181 0.0061 0.0015 423 TRP B C 5732 O O . TRP B 347 ? 0.1099 0.1261 0.1349 -0.0067 0.0006 0.0093 423 TRP B O 5733 C CB . TRP B 347 ? 0.1120 0.1211 0.1379 0.0135 0.0079 -0.0418 423 TRP B CB 5734 C CG . TRP B 347 ? 0.1126 0.1224 0.1350 0.0063 0.0082 -0.0265 423 TRP B CG 5735 C CD1 . TRP B 347 ? 0.1149 0.1414 0.1339 0.0307 -0.0065 -0.0233 423 TRP B CD1 5736 C CD2 . TRP B 347 ? 0.1225 0.1160 0.1080 -0.0128 0.0281 0.0043 423 TRP B CD2 5737 N NE1 . TRP B 347 ? 0.1170 0.1325 0.1360 0.0125 0.0010 0.0035 423 TRP B NE1 5738 C CE2 . TRP B 347 ? 0.1269 0.1262 0.1229 -0.0089 0.0250 0.0013 423 TRP B CE2 5739 C CE3 . TRP B 347 ? 0.1325 0.1120 0.1556 -0.0258 0.0386 0.0161 423 TRP B CE3 5740 C CZ2 . TRP B 347 ? 0.1247 0.1174 0.1105 -0.0276 0.0391 -0.0074 423 TRP B CZ2 5741 C CZ3 . TRP B 347 ? 0.1620 0.1006 0.1610 -0.0488 0.0310 -0.0085 423 TRP B CZ3 5742 C CH2 . TRP B 347 ? 0.1404 0.0981 0.1314 -0.0537 0.0267 -0.0153 423 TRP B CH2 5743 N N . LEU B 348 ? 0.1107 0.1346 0.1058 0.0040 0.0124 0.0205 424 LEU B N 5744 C CA . LEU B 348 ? 0.1082 0.1442 0.1273 -0.0026 0.0056 -0.0107 424 LEU B CA 5745 C C . LEU B 348 ? 0.1233 0.1298 0.1162 -0.0042 -0.0010 -0.0117 424 LEU B C 5746 O O . LEU B 348 ? 0.1507 0.1178 0.1523 -0.0289 -0.0236 -0.0022 424 LEU B O 5747 C CB . LEU B 348 ? 0.1087 0.1521 0.1311 0.0152 0.0335 0.0141 424 LEU B CB 5748 C CG . LEU B 348 ? 0.1059 0.1602 0.1646 0.0053 0.0633 0.0041 424 LEU B CG 5749 C CD1 . LEU B 348 ? 0.1224 0.1684 0.2091 0.0069 0.0539 0.0312 424 LEU B CD1 5750 C CD2 . LEU B 348 ? 0.1370 0.1409 0.2202 0.0109 0.0419 -0.0120 424 LEU B CD2 5751 N N . GLU B 349 ? 0.1181 0.1258 0.0903 0.0118 0.0128 0.0021 425 GLU B N 5752 C CA . GLU B 349 ? 0.1443 0.1309 0.1230 0.0345 0.0082 -0.0073 425 GLU B CA 5753 C C . GLU B 349 ? 0.1362 0.1280 0.1272 0.0069 0.0031 -0.0051 425 GLU B C 5754 O O . GLU B 349 ? 0.1361 0.1491 0.1246 0.0091 0.0161 -0.0200 425 GLU B O 5755 C CB . GLU B 349 ? 0.1602 0.1293 0.1742 0.0344 -0.0249 0.0041 425 GLU B CB 5756 C CG . GLU B 349 ? 0.1606 0.1428 0.1673 0.0274 -0.0322 0.0023 425 GLU B CG 5757 C CD . GLU B 349 ? 0.1470 0.1417 0.1438 0.0107 -0.0242 -0.0105 425 GLU B CD 5758 O OE1 . GLU B 349 ? 0.1339 0.1380 0.1501 0.0264 -0.0543 -0.0313 425 GLU B OE1 5759 O OE2 . GLU B 349 ? 0.1559 0.1479 0.1506 -0.0018 0.0071 0.0196 425 GLU B OE2 5760 N N . MET B 350 ? 0.1505 0.1304 0.0798 -0.0052 -0.0039 0.0171 426 MET B N 5761 C CA . MET B 350 ? 0.1474 0.1281 0.1285 0.0044 -0.0024 0.0520 426 MET B CA 5762 C C . MET B 350 ? 0.1301 0.1387 0.1179 -0.0063 0.0043 0.0432 426 MET B C 5763 O O . MET B 350 ? 0.1197 0.1546 0.1471 0.0121 -0.0042 0.0177 426 MET B O 5764 C CB . MET B 350 ? 0.1363 0.1416 0.1383 0.0392 -0.0232 0.0262 426 MET B CB 5765 C CG . MET B 350 ? 0.1493 0.1351 0.1748 0.0411 -0.0004 0.0201 426 MET B CG 5766 S SD . MET B 350 ? 0.1495 0.1368 0.1654 0.0037 0.0090 0.0024 426 MET B SD 5767 C CE . MET B 350 ? 0.1229 0.1653 0.1500 0.0015 0.0181 0.0187 426 MET B CE 5768 N N . ILE B 351 ? 0.1431 0.1201 0.0897 -0.0114 -0.0039 0.0373 427 ILE B N 5769 C CA . ILE B 351 ? 0.1311 0.1079 0.1085 -0.0004 0.0072 0.0313 427 ILE B CA 5770 C C . ILE B 351 ? 0.1220 0.1357 0.1222 -0.0014 0.0020 0.0026 427 ILE B C 5771 O O . ILE B 351 ? 0.1416 0.1494 0.1219 0.0095 0.0145 -0.0002 427 ILE B O 5772 C CB . ILE B 351 ? 0.1397 0.1152 0.1067 -0.0032 0.0007 0.0334 427 ILE B CB 5773 C CG1 . ILE B 351 ? 0.1468 0.1261 0.1614 -0.0007 -0.0035 0.0082 427 ILE B CG1 5774 C CG2 . ILE B 351 ? 0.1536 0.1281 0.1414 -0.0030 0.0090 0.0351 427 ILE B CG2 5775 C CD1 . ILE B 351 ? 0.1529 0.1460 0.1610 0.0115 -0.0019 0.0321 427 ILE B CD1 5776 N N . ARG B 352 ? 0.1502 0.1426 0.1302 -0.0272 -0.0138 0.0048 428 ARG B N 5777 C CA . ARG B 352 ? 0.1527 0.1325 0.1096 -0.0291 0.0055 0.0454 428 ARG B CA 5778 C C . ARG B 352 ? 0.1519 0.1600 0.1201 -0.0217 0.0247 0.0325 428 ARG B C 5779 O O . ARG B 352 ? 0.1386 0.1612 0.1242 -0.0068 0.0242 0.0159 428 ARG B O 5780 C CB . ARG B 352 ? 0.1392 0.1459 0.1194 -0.0095 0.0241 0.0323 428 ARG B CB 5781 C CG . ARG B 352 ? 0.1381 0.1509 0.1062 0.0088 0.0233 0.0364 428 ARG B CG 5782 C CD . ARG B 352 ? 0.1460 0.1620 0.1265 0.0034 0.0267 -0.0175 428 ARG B CD 5783 N NE . ARG B 352 ? 0.1637 0.1590 0.1475 0.0070 0.0093 0.0019 428 ARG B NE 5784 C CZ . ARG B 352 ? 0.1661 0.1722 0.1321 0.0009 0.0164 -0.0038 428 ARG B CZ 5785 N NH1 . ARG B 352 ? 0.1712 0.1461 0.1494 -0.0040 0.0231 -0.0037 428 ARG B NH1 5786 N NH2 . ARG B 352 ? 0.1504 0.1932 0.1371 0.0113 0.0144 0.0127 428 ARG B NH2 5787 N N . GLY B 353 ? 0.1816 0.1711 0.1307 -0.0353 0.0317 0.0657 429 GLY B N 5788 C CA . GLY B 353 ? 0.2098 0.1541 0.1450 -0.0214 0.0425 0.0894 429 GLY B CA 5789 C C . GLY B 353 ? 0.2240 0.1696 0.1655 -0.0134 0.0534 0.0759 429 GLY B C 5790 O O . GLY B 353 ? 0.2284 0.1923 0.2284 -0.0073 0.0806 0.0827 429 GLY B O 5791 N N . LYS B 354 ? 0.2438 0.1867 0.1724 -0.0210 0.0423 0.0529 430 LYS B N 5792 C CA . LYS B 354 ? 0.2658 0.1956 0.1883 -0.0201 0.0252 0.0837 430 LYS B CA 5793 C C . LYS B 354 ? 0.2707 0.2239 0.1956 -0.0144 0.0246 0.0697 430 LYS B C 5794 O O . LYS B 354 ? 0.2836 0.2375 0.2064 0.0038 0.0311 0.0712 430 LYS B O 5795 C CB . LYS B 354 ? 0.2998 0.2189 0.2184 -0.0078 -0.0121 0.0784 430 LYS B CB 5796 C CG . LYS B 354 ? 0.3442 0.2610 0.3069 -0.0291 -0.0429 0.0477 430 LYS B CG 5797 C CD . LYS B 354 ? 0.3802 0.2986 0.3828 -0.0486 -0.0824 0.0501 430 LYS B CD 5798 C CE . LYS B 354 ? 0.4158 0.3221 0.4325 -0.0471 -0.0721 0.0824 430 LYS B CE 5799 N NZ . LYS B 354 ? 0.4485 0.3542 0.4953 -0.0354 -0.0677 0.0687 430 LYS B NZ 5800 N N . PRO B 355 ? 0.2850 0.2529 0.2628 -0.0280 -0.0057 0.0223 431 PRO B N 5801 C CA . PRO B 355 ? 0.2867 0.2672 0.2729 -0.0334 0.0212 0.0253 431 PRO B CA 5802 C C . PRO B 355 ? 0.2785 0.2811 0.2383 -0.0368 0.0300 0.0422 431 PRO B C 5803 O O . PRO B 355 ? 0.2902 0.3025 0.2536 -0.0307 0.0252 0.0684 431 PRO B O 5804 C CB . PRO B 355 ? 0.3051 0.2808 0.3144 -0.0552 0.0122 0.0069 431 PRO B CB 5805 C CG . PRO B 355 ? 0.3225 0.2916 0.3631 -0.0683 0.0089 0.0134 431 PRO B CG 5806 C CD . PRO B 355 ? 0.3110 0.2692 0.3254 -0.0440 -0.0007 0.0172 431 PRO B CD 5807 N N . GLU B 356 ? 0.2540 0.2608 0.2169 -0.0568 0.0466 0.0362 432 GLU B N 5808 C CA . GLU B 356 ? 0.2452 0.2845 0.1951 -0.0532 0.0295 -0.0065 432 GLU B CA 5809 C C . GLU B 356 ? 0.2373 0.2923 0.2039 -0.0379 0.0380 -0.0265 432 GLU B C 5810 O O . GLU B 356 ? 0.2537 0.3205 0.2256 -0.0368 0.0583 -0.0586 432 GLU B O 5811 C CB . GLU B 356 ? 0.2490 0.3174 0.2018 -0.0457 0.0272 -0.0008 432 GLU B CB 5812 C CG . GLU B 356 ? 0.2538 0.3516 0.2349 -0.0740 0.0212 -0.0209 432 GLU B CG 5813 C CD . GLU B 356 ? 0.2924 0.3919 0.2567 -0.0883 0.0252 -0.0284 432 GLU B CD 5814 O OE1 . GLU B 356 ? 0.3017 0.4015 0.2915 -0.0726 0.0424 -0.0332 432 GLU B OE1 5815 O OE2 . GLU B 356 ? 0.3154 0.4107 0.2952 -0.1031 0.0301 -0.0249 432 GLU B OE2 5816 N N . GLU B 357 ? 0.2282 0.2664 0.1857 -0.0160 0.0157 0.0119 433 GLU B N 5817 C CA . GLU B 357 ? 0.2287 0.2526 0.1221 -0.0182 0.0472 0.0435 433 GLU B CA 5818 C C . GLU B 357 ? 0.2418 0.2964 0.1861 -0.0204 0.0460 0.0491 433 GLU B C 5819 O O . GLU B 357 ? 0.2524 0.3080 0.1751 -0.0140 0.0314 0.0494 433 GLU B O 5820 C CB . GLU B 357 ? 0.2150 0.2198 0.1301 -0.0074 0.0486 0.0236 433 GLU B CB 5821 C CG . GLU B 357 ? 0.2124 0.2029 0.1506 -0.0218 0.0457 0.0165 433 GLU B CG 5822 C CD . GLU B 357 ? 0.2282 0.2086 0.1812 -0.0324 0.0461 0.0058 433 GLU B CD 5823 O OE1 . GLU B 357 ? 0.2050 0.1990 0.1933 -0.0166 0.0224 0.0251 433 GLU B OE1 5824 O OE2 . GLU B 357 ? 0.2663 0.2155 0.2192 -0.0548 0.0747 -0.0128 433 GLU B OE2 5825 N N . ARG B 358 ? 0.2521 0.3359 0.2103 -0.0404 0.0406 0.0751 434 ARG B N 5826 C CA . ARG B 358 ? 0.2857 0.3717 0.2332 -0.0537 0.0381 0.1129 434 ARG B CA 5827 C C . ARG B 358 ? 0.2820 0.3660 0.2323 -0.0339 0.0204 0.1030 434 ARG B C 5828 O O . ARG B 358 ? 0.2976 0.3635 0.2667 -0.0133 -0.0168 0.1192 434 ARG B O 5829 C CB . ARG B 358 ? 0.3373 0.4309 0.3429 -0.0766 0.0396 0.1138 434 ARG B CB 5830 C CG . ARG B 358 ? 0.4029 0.4935 0.4800 -0.0757 0.0265 0.0788 434 ARG B CG 5831 C CD . ARG B 358 ? 0.4683 0.5468 0.6120 -0.0846 0.0319 0.0503 434 ARG B CD 5832 N NE . ARG B 358 ? 0.5141 0.5856 0.6947 -0.0989 0.0367 0.0399 434 ARG B NE 5833 C CZ . ARG B 358 ? 0.5541 0.6144 0.7583 -0.0990 0.0164 0.0162 434 ARG B CZ 5834 N NH1 . ARG B 358 ? 0.5693 0.6242 0.7681 -0.0985 -0.0019 -0.0014 434 ARG B NH1 5835 N NH2 . ARG B 358 ? 0.5666 0.6219 0.7916 -0.0948 0.0157 0.0148 434 ARG B NH2 5836 N N . THR B 359 ? 0.2660 0.3573 0.1929 -0.0272 0.0331 0.0713 435 THR B N 5837 C CA . THR B 359 ? 0.2612 0.3603 0.1829 -0.0251 0.0646 0.0533 435 THR B CA 5838 C C . THR B 359 ? 0.2321 0.3427 0.1828 -0.0354 0.0501 0.0198 435 THR B C 5839 O O . THR B 359 ? 0.2065 0.3888 0.1909 -0.0428 0.0282 -0.0177 435 THR B O 5840 C CB . THR B 359 ? 0.2864 0.3714 0.1727 -0.0144 0.0930 0.0372 435 THR B CB 5841 O OG1 . THR B 359 ? 0.3133 0.3740 0.2684 -0.0011 0.1027 0.0352 435 THR B OG1 5842 C CG2 . THR B 359 ? 0.2963 0.3851 0.2228 -0.0048 0.0991 0.0399 435 THR B CG2 5843 N N . SER B 360 ? 0.2217 0.2804 0.1497 -0.0198 0.0342 0.0421 436 SER B N 5844 C CA . SER B 360 ? 0.2047 0.2236 0.1244 -0.0064 0.0207 0.0434 436 SER B CA 5845 C C . SER B 360 ? 0.1952 0.2009 0.1803 -0.0191 0.0161 0.0245 436 SER B C 5846 O O . SER B 360 ? 0.1928 0.2310 0.2315 -0.0186 -0.0133 0.0233 436 SER B O 5847 C CB . SER B 360 ? 0.2296 0.2260 0.1494 0.0008 0.0001 0.0385 436 SER B CB 5848 O OG . SER B 360 ? 0.2531 0.2279 0.1674 0.0096 0.0010 0.0161 436 SER B OG 5849 N N . ILE B 361 ? 0.2094 0.1798 0.1471 -0.0170 0.0294 0.0060 437 ILE B N 5850 C CA . ILE B 361 ? 0.2038 0.1628 0.1452 -0.0161 0.0045 0.0174 437 ILE B CA 5851 C C . ILE B 361 ? 0.2009 0.1807 0.1464 -0.0178 0.0099 0.0300 437 ILE B C 5852 O O . ILE B 361 ? 0.2177 0.1997 0.1475 -0.0016 0.0030 0.0484 437 ILE B O 5853 C CB . ILE B 361 ? 0.2119 0.1807 0.1440 -0.0188 -0.0439 0.0389 437 ILE B CB 5854 C CG1 . ILE B 361 ? 0.1985 0.1864 0.1446 -0.0105 -0.0792 0.0119 437 ILE B CG1 5855 C CG2 . ILE B 361 ? 0.2309 0.2092 0.1816 -0.0220 -0.0449 0.0155 437 ILE B CG2 5856 C CD1 . ILE B 361 ? 0.2079 0.1974 0.1708 -0.0071 -0.0778 0.0148 437 ILE B CD1 5857 N N . TRP B 362 ? 0.1720 0.1814 0.0888 -0.0099 -0.0026 0.0486 438 TRP B N 5858 C CA . TRP B 362 ? 0.1539 0.1637 0.1205 -0.0176 -0.0111 0.0568 438 TRP B CA 5859 C C . TRP B 362 ? 0.1557 0.1590 0.1176 -0.0122 -0.0235 0.0511 438 TRP B C 5860 O O . TRP B 362 ? 0.1590 0.1651 0.1414 -0.0194 0.0026 0.0400 438 TRP B O 5861 C CB . TRP B 362 ? 0.1638 0.1414 0.1149 -0.0277 0.0130 0.0316 438 TRP B CB 5862 C CG . TRP B 362 ? 0.1419 0.1347 0.1161 -0.0123 0.0000 0.0348 438 TRP B CG 5863 C CD1 . TRP B 362 ? 0.1564 0.1407 0.1543 -0.0200 0.0229 0.0187 438 TRP B CD1 5864 C CD2 . TRP B 362 ? 0.1412 0.1348 0.0904 -0.0027 0.0039 0.0580 438 TRP B CD2 5865 N NE1 . TRP B 362 ? 0.1537 0.1448 0.1623 0.0033 -0.0029 0.0385 438 TRP B NE1 5866 C CE2 . TRP B 362 ? 0.1530 0.1391 0.1312 0.0173 0.0018 0.0556 438 TRP B CE2 5867 C CE3 . TRP B 362 ? 0.1454 0.1366 0.1025 0.0073 0.0065 0.0429 438 TRP B CE3 5868 C CZ2 . TRP B 362 ? 0.1389 0.1337 0.1415 0.0318 -0.0070 0.0327 438 TRP B CZ2 5869 C CZ3 . TRP B 362 ? 0.1476 0.1328 0.1284 0.0009 0.0229 0.0182 438 TRP B CZ3 5870 C CH2 . TRP B 362 ? 0.1360 0.1537 0.1288 0.0293 0.0055 0.0094 438 TRP B CH2 5871 N N . THR B 363 ? 0.1627 0.1651 0.1184 -0.0026 -0.0237 0.0542 439 THR B N 5872 C CA . THR B 363 ? 0.1595 0.1865 0.1173 -0.0160 -0.0167 0.0283 439 THR B CA 5873 C C . THR B 363 ? 0.1841 0.1840 0.1149 0.0093 -0.0116 0.0145 439 THR B C 5874 O O . THR B 363 ? 0.2057 0.2195 0.1613 0.0334 0.0190 0.0315 439 THR B O 5875 C CB . THR B 363 ? 0.1675 0.2248 0.1579 -0.0329 -0.0573 0.0390 439 THR B CB 5876 O OG1 . THR B 363 ? 0.2026 0.2394 0.2029 -0.0321 -0.0049 0.0492 439 THR B OG1 5877 C CG2 . THR B 363 ? 0.1661 0.2497 0.1706 -0.0248 -0.0651 0.0351 439 THR B CG2 5878 N N . SER B 364 ? 0.1593 0.1781 0.0889 -0.0046 -0.0066 0.0053 440 SER B N 5879 C CA . SER B 364 ? 0.1259 0.1698 0.1079 -0.0034 -0.0041 0.0147 440 SER B CA 5880 C C . SER B 364 ? 0.1278 0.1617 0.1108 -0.0012 0.0207 0.0152 440 SER B C 5881 O O . SER B 364 ? 0.1087 0.1944 0.1443 0.0289 0.0271 0.0462 440 SER B O 5882 C CB . SER B 364 ? 0.1332 0.1732 0.1092 -0.0018 0.0199 0.0133 440 SER B CB 5883 O OG . SER B 364 ? 0.1282 0.1827 0.1189 0.0123 0.0105 0.0062 440 SER B OG 5884 N N . SER B 365 ? 0.1173 0.1478 0.1190 -0.0200 -0.0008 0.0231 441 SER B N 5885 C CA . SER B 365 ? 0.1223 0.1267 0.1158 -0.0278 -0.0356 0.0209 441 SER B CA 5886 C C . SER B 365 ? 0.1258 0.1356 0.1125 -0.0187 0.0036 0.0232 441 SER B C 5887 O O . SER B 365 ? 0.1267 0.1393 0.1564 -0.0007 0.0032 0.0347 441 SER B O 5888 C CB . SER B 365 ? 0.1202 0.1529 0.1676 -0.0154 -0.0065 -0.0132 441 SER B CB 5889 O OG . SER B 365 ? 0.1231 0.1577 0.1591 -0.0064 0.0208 -0.0030 441 SER B OG 5890 N N . SER B 366 ? 0.1335 0.1253 0.1249 -0.0141 -0.0127 0.0279 442 SER B N 5891 C CA . SER B 366 ? 0.1159 0.1287 0.1180 -0.0169 -0.0004 0.0320 442 SER B CA 5892 C C . SER B 366 ? 0.1136 0.1278 0.1096 -0.0227 0.0077 0.0153 442 SER B C 5893 O O . SER B 366 ? 0.1280 0.1804 0.1422 -0.0026 -0.0226 0.0502 442 SER B O 5894 C CB . SER B 366 ? 0.0999 0.1450 0.1581 0.0007 -0.0082 -0.0014 442 SER B CB 5895 O OG . SER B 366 ? 0.1187 0.1654 0.1654 0.0279 0.0090 0.0215 442 SER B OG 5896 N N . SER B 367 ? 0.1309 0.1310 0.1210 0.0010 -0.0001 0.0315 443 SER B N 5897 C CA . SER B 367 ? 0.1270 0.1242 0.1302 -0.0073 0.0229 0.0197 443 SER B CA 5898 C C . SER B 367 ? 0.1257 0.1224 0.1332 -0.0180 0.0058 0.0395 443 SER B C 5899 O O . SER B 367 ? 0.1228 0.1377 0.1601 0.0063 -0.0232 0.0196 443 SER B O 5900 C CB . SER B 367 ? 0.1480 0.1485 0.1508 -0.0324 0.0248 0.0112 443 SER B CB 5901 O OG . SER B 367 ? 0.1673 0.1605 0.1830 -0.0060 0.0396 0.0116 443 SER B OG 5902 N N . THR B 368 ? 0.1127 0.1246 0.1352 0.0084 0.0123 0.0310 444 THR B N 5903 C CA . THR B 368 ? 0.1307 0.1185 0.1081 -0.0009 0.0150 0.0154 444 THR B CA 5904 C C . THR B 368 ? 0.1205 0.1204 0.1249 -0.0116 0.0049 0.0130 444 THR B C 5905 O O . THR B 368 ? 0.1375 0.1395 0.1231 -0.0192 -0.0096 0.0045 444 THR B O 5906 C CB . THR B 368 ? 0.1094 0.1223 0.1266 -0.0203 -0.0052 -0.0115 444 THR B CB 5907 O OG1 . THR B 368 ? 0.1321 0.1299 0.1683 -0.0236 -0.0080 0.0127 444 THR B OG1 5908 C CG2 . THR B 368 ? 0.0986 0.1001 0.1385 -0.0151 -0.0118 -0.0187 444 THR B CG2 5909 N N . VAL B 369 ? 0.1141 0.1306 0.0760 0.0123 0.0017 0.0259 445 VAL B N 5910 C CA . VAL B 369 ? 0.1240 0.1283 0.0932 0.0037 0.0003 0.0041 445 VAL B CA 5911 C C . VAL B 369 ? 0.1116 0.1210 0.1003 0.0027 -0.0118 0.0088 445 VAL B C 5912 O O . VAL B 369 ? 0.1154 0.1035 0.1238 0.0050 -0.0071 0.0073 445 VAL B O 5913 C CB . VAL B 369 ? 0.1513 0.1315 0.0946 0.0137 -0.0297 0.0193 445 VAL B CB 5914 C CG1 . VAL B 369 ? 0.1806 0.1338 0.0912 0.0080 -0.0004 -0.0306 445 VAL B CG1 5915 C CG2 . VAL B 369 ? 0.1583 0.1548 0.1334 0.0103 -0.0231 0.0254 445 VAL B CG2 5916 N N . PHE B 370 ? 0.1161 0.1459 0.1005 0.0108 -0.0195 0.0111 446 PHE B N 5917 C CA . PHE B 370 ? 0.1102 0.1598 0.1212 0.0089 -0.0056 0.0140 446 PHE B CA 5918 C C . PHE B 370 ? 0.1311 0.1409 0.1117 0.0023 -0.0230 0.0062 446 PHE B C 5919 O O . PHE B 370 ? 0.1642 0.1318 0.1133 -0.0155 -0.0320 -0.0035 446 PHE B O 5920 C CB . PHE B 370 ? 0.1166 0.1757 0.1306 0.0092 0.0273 0.0004 446 PHE B CB 5921 C CG . PHE B 370 ? 0.1203 0.1744 0.1427 -0.0067 0.0308 -0.0040 446 PHE B CG 5922 C CD1 . PHE B 370 ? 0.1155 0.1806 0.1321 -0.0151 0.0215 0.0270 446 PHE B CD1 5923 C CD2 . PHE B 370 ? 0.1358 0.1669 0.1818 -0.0192 0.0444 0.0012 446 PHE B CD2 5924 C CE1 . PHE B 370 ? 0.1145 0.1898 0.1572 -0.0285 0.0198 0.0091 446 PHE B CE1 5925 C CE2 . PHE B 370 ? 0.1370 0.1687 0.1509 -0.0229 0.0379 -0.0266 446 PHE B CE2 5926 C CZ . PHE B 370 ? 0.1258 0.1896 0.1532 -0.0343 0.0297 -0.0234 446 PHE B CZ 5927 N N . CYS B 371 ? 0.1191 0.1406 0.1194 -0.0169 -0.0237 0.0059 447 CYS B N 5928 C CA . CYS B 371 ? 0.1218 0.1473 0.1305 0.0074 -0.0387 0.0305 447 CYS B CA 5929 C C . CYS B 371 ? 0.1449 0.1510 0.1427 -0.0059 -0.0647 0.0174 447 CYS B C 5930 O O . CYS B 371 ? 0.1628 0.1548 0.1845 0.0090 -0.0505 -0.0013 447 CYS B O 5931 C CB . CYS B 371 ? 0.1351 0.1456 0.1691 0.0116 -0.0106 0.0518 447 CYS B CB 5932 S SG . CYS B 371 ? 0.1647 0.1618 0.2111 0.0093 -0.0078 0.0269 447 CYS B SG 5933 N N . GLY B 372 ? 0.1447 0.1604 0.1337 -0.0209 -0.0739 0.0268 448 GLY B N 5934 C CA . GLY B 372 ? 0.1534 0.1479 0.1428 -0.0140 -0.0934 0.0637 448 GLY B CA 5935 C C . GLY B 372 ? 0.1782 0.1576 0.1545 -0.0029 -0.0602 0.0342 448 GLY B C 5936 O O . GLY B 372 ? 0.1806 0.1781 0.2065 0.0047 -0.0209 0.0400 448 GLY B O 5937 N N . VAL B 373 ? 0.1914 0.1377 0.1616 0.0023 -0.0800 0.0127 449 VAL B N 5938 C CA . VAL B 373 ? 0.2059 0.1452 0.1823 0.0079 -0.0681 0.0068 449 VAL B CA 5939 C C . VAL B 373 ? 0.2220 0.1674 0.1870 0.0394 -0.0763 0.0207 449 VAL B C 5940 O O . VAL B 373 ? 0.2240 0.1527 0.1948 0.0445 -0.0580 0.0206 449 VAL B O 5941 C CB . VAL B 373 ? 0.2187 0.1557 0.2524 0.0009 -0.0667 -0.0131 449 VAL B CB 5942 C CG1 . VAL B 373 ? 0.2302 0.1700 0.3066 -0.0001 -0.0437 0.0005 449 VAL B CG1 5943 C CG2 . VAL B 373 ? 0.2186 0.1501 0.2463 0.0001 -0.0237 -0.0374 449 VAL B CG2 5944 N N A SER B 374 ? 0.2347 0.1987 0.2277 0.0539 -0.0724 0.0298 450 SER B N 5945 N N B SER B 374 ? 0.2375 0.1932 0.2235 0.0468 -0.0704 0.0340 450 SER B N 5946 C CA A SER B 374 ? 0.2539 0.2392 0.2640 0.0728 -0.0535 0.0240 450 SER B CA 5947 C CA B SER B 374 ? 0.2584 0.2271 0.2589 0.0589 -0.0532 0.0347 450 SER B CA 5948 C C A SER B 374 ? 0.2670 0.2650 0.2963 0.0706 -0.0455 0.0207 450 SER B C 5949 C C B SER B 374 ? 0.2708 0.2575 0.2952 0.0608 -0.0471 0.0285 450 SER B C 5950 O O A SER B 374 ? 0.2800 0.2950 0.3326 0.0723 -0.0403 0.0013 450 SER B O 5951 O O B SER B 374 ? 0.2889 0.2871 0.3455 0.0528 -0.0361 0.0067 450 SER B O 5952 C CB A SER B 374 ? 0.2668 0.2545 0.2758 0.0701 -0.0324 0.0264 450 SER B CB 5953 C CB B SER B 374 ? 0.2717 0.2306 0.2655 0.0484 -0.0328 0.0469 450 SER B CB 5954 O OG A SER B 374 ? 0.2713 0.2685 0.3002 0.0698 -0.0191 0.0242 450 SER B OG 5955 O OG B SER B 374 ? 0.2772 0.2316 0.2831 0.0441 -0.0158 0.0525 450 SER B OG 5956 N N . SER B 375 ? 0.2695 0.2470 0.2906 0.0631 -0.0436 0.0342 451 SER B N 5957 C CA . SER B 375 ? 0.2697 0.2724 0.3304 0.0382 -0.0262 0.0424 451 SER B CA 5958 C C . SER B 375 ? 0.2310 0.2539 0.2608 0.0324 -0.0440 0.0197 451 SER B C 5959 O O . SER B 375 ? 0.2137 0.2350 0.2486 0.0487 -0.0106 0.0357 451 SER B O 5960 C CB . SER B 375 ? 0.3010 0.3090 0.4237 0.0194 -0.0336 0.0419 451 SER B CB 5961 O OG . SER B 375 ? 0.3231 0.3413 0.4637 0.0060 -0.0383 0.0498 451 SER B OG 5962 N N . GLU B 376 ? 0.2155 0.2492 0.2457 0.0296 -0.0552 0.0075 452 GLU B N 5963 C CA . GLU B 376 ? 0.2016 0.2429 0.2353 0.0269 -0.0765 -0.0230 452 GLU B CA 5964 C C . GLU B 376 ? 0.1972 0.2222 0.2239 0.0339 -0.0550 0.0121 452 GLU B C 5965 O O . GLU B 376 ? 0.2261 0.2308 0.2713 0.0353 -0.0329 0.0250 452 GLU B O 5966 C CB . GLU B 376 ? 0.2045 0.2813 0.2855 0.0110 -0.0782 -0.0562 452 GLU B CB 5967 C CG . GLU B 376 ? 0.2319 0.3334 0.3693 0.0214 -0.0515 -0.0936 452 GLU B CG 5968 C CD . GLU B 376 ? 0.2808 0.3965 0.4908 0.0134 -0.0535 -0.1119 452 GLU B CD 5969 O OE1 . GLU B 376 ? 0.3122 0.4157 0.5804 0.0080 -0.0390 -0.1205 452 GLU B OE1 5970 O OE2 . GLU B 376 ? 0.3094 0.4301 0.5245 0.0120 -0.0338 -0.1171 452 GLU B OE2 5971 N N . VAL B 377 ? 0.1862 0.2330 0.1682 0.0271 -0.0436 0.0016 453 VAL B N 5972 C CA . VAL B 377 ? 0.1612 0.2227 0.1902 0.0276 -0.0061 -0.0177 453 VAL B CA 5973 C C . VAL B 377 ? 0.1588 0.1863 0.1689 0.0172 -0.0177 -0.0020 453 VAL B C 5974 O O . VAL B 377 ? 0.1552 0.1852 0.2024 0.0173 -0.0097 0.0183 453 VAL B O 5975 C CB . VAL B 377 ? 0.1691 0.2714 0.1863 0.0112 0.0017 -0.0307 453 VAL B CB 5976 C CG1 . VAL B 377 ? 0.1831 0.2935 0.2206 0.0028 -0.0037 -0.0228 453 VAL B CG1 5977 C CG2 . VAL B 377 ? 0.1761 0.2791 0.2352 0.0097 -0.0072 -0.0516 453 VAL B CG2 5978 N N . PRO B 378 ? 0.1753 0.1753 0.1940 0.0086 -0.0203 0.0175 454 PRO B N 5979 C CA . PRO B 378 ? 0.1947 0.1623 0.1809 0.0022 -0.0433 0.0099 454 PRO B CA 5980 C C . PRO B 378 ? 0.1906 0.1626 0.1554 -0.0120 -0.0056 0.0150 454 PRO B C 5981 O O . PRO B 378 ? 0.1968 0.1749 0.1795 -0.0171 -0.0151 0.0202 454 PRO B O 5982 C CB . PRO B 378 ? 0.2229 0.1273 0.2000 0.0206 -0.0723 -0.0039 454 PRO B CB 5983 C CG . PRO B 378 ? 0.2121 0.1575 0.2270 -0.0017 -0.0400 0.0160 454 PRO B CG 5984 C CD . PRO B 378 ? 0.1880 0.1525 0.2048 -0.0008 -0.0325 -0.0043 454 PRO B CD 5985 N N . GLY B 379 ? 0.1991 0.1643 0.1421 0.0068 -0.0206 0.0234 455 GLY B N 5986 C CA . GLY B 379 ? 0.1869 0.1569 0.1693 0.0036 -0.0004 0.0060 455 GLY B CA 5987 C C . GLY B 379 ? 0.1857 0.1660 0.1976 0.0072 0.0015 0.0058 455 GLY B C 5988 O O . GLY B 379 ? 0.1985 0.1737 0.2220 -0.0125 -0.0115 0.0006 455 GLY B O 5989 N N . TRP B 380 ? 0.1835 0.1670 0.1641 0.0210 -0.0003 -0.0108 456 TRP B N 5990 C CA . TRP B 380 ? 0.1684 0.1498 0.1725 -0.0011 -0.0232 -0.0129 456 TRP B CA 5991 C C . TRP B 380 ? 0.1801 0.1500 0.1969 0.0186 -0.0173 -0.0165 456 TRP B C 5992 O O . TRP B 380 ? 0.2097 0.1617 0.2490 0.0114 -0.0346 -0.0274 456 TRP B O 5993 C CB . TRP B 380 ? 0.1576 0.1389 0.1632 -0.0044 -0.0021 -0.0353 456 TRP B CB 5994 C CG . TRP B 380 ? 0.1588 0.1480 0.1565 0.0062 0.0341 -0.0176 456 TRP B CG 5995 C CD1 . TRP B 380 ? 0.1673 0.1607 0.1399 -0.0069 0.0127 -0.0210 456 TRP B CD1 5996 C CD2 . TRP B 380 ? 0.1623 0.1643 0.1575 0.0015 0.0228 -0.0033 456 TRP B CD2 5997 N NE1 . TRP B 380 ? 0.1725 0.1618 0.1483 -0.0195 0.0268 0.0006 456 TRP B NE1 5998 C CE2 . TRP B 380 ? 0.1520 0.1648 0.1485 -0.0177 0.0053 -0.0127 456 TRP B CE2 5999 C CE3 . TRP B 380 ? 0.1512 0.1722 0.1485 0.0243 -0.0035 0.0092 456 TRP B CE3 6000 C CZ2 . TRP B 380 ? 0.1635 0.1818 0.1468 -0.0006 0.0222 -0.0076 456 TRP B CZ2 6001 C CZ3 . TRP B 380 ? 0.1656 0.1836 0.0972 0.0065 -0.0152 -0.0063 456 TRP B CZ3 6002 C CH2 . TRP B 380 ? 0.1738 0.1936 0.1300 -0.0007 0.0038 -0.0069 456 TRP B CH2 6003 N N . SER B 381 ? 0.1714 0.1484 0.1567 0.0124 -0.0134 0.0054 457 SER B N 6004 C CA . SER B 381 ? 0.1633 0.1473 0.1345 0.0234 0.0055 0.0253 457 SER B CA 6005 C C . SER B 381 ? 0.1527 0.1558 0.1460 0.0185 0.0200 -0.0131 457 SER B C 6006 O O . SER B 381 ? 0.1773 0.1989 0.1731 0.0147 0.0067 -0.0371 457 SER B O 6007 C CB . SER B 381 ? 0.1776 0.1482 0.1267 0.0157 0.0255 0.0521 457 SER B CB 6008 O OG . SER B 381 ? 0.1767 0.1407 0.1652 -0.0156 0.0427 0.0160 457 SER B OG 6009 N N . TRP B 382 ? 0.1417 0.1275 0.1517 0.0208 0.0252 0.0133 458 TRP B N 6010 C CA . TRP B 382 ? 0.1335 0.1434 0.0872 0.0147 0.0115 0.0192 458 TRP B CA 6011 C C . TRP B 382 ? 0.1518 0.1369 0.1005 0.0019 0.0157 -0.0111 458 TRP B C 6012 O O . TRP B 382 ? 0.1632 0.1314 0.1086 -0.0035 -0.0049 -0.0068 458 TRP B O 6013 C CB . TRP B 382 ? 0.1552 0.1481 0.0962 0.0300 0.0082 0.0323 458 TRP B CB 6014 C CG . TRP B 382 ? 0.1516 0.1398 0.1106 0.0012 0.0112 -0.0018 458 TRP B CG 6015 C CD1 . TRP B 382 ? 0.1591 0.1373 0.1411 0.0042 0.0101 0.0280 458 TRP B CD1 6016 C CD2 . TRP B 382 ? 0.1524 0.1474 0.1190 0.0021 0.0050 -0.0128 458 TRP B CD2 6017 N NE1 . TRP B 382 ? 0.1400 0.1486 0.1232 -0.0074 0.0314 0.0075 458 TRP B NE1 6018 C CE2 . TRP B 382 ? 0.1377 0.1418 0.1325 0.0033 -0.0016 0.0115 458 TRP B CE2 6019 C CE3 . TRP B 382 ? 0.1358 0.1513 0.1422 0.0063 -0.0308 -0.0194 458 TRP B CE3 6020 C CZ2 . TRP B 382 ? 0.1250 0.1489 0.1361 -0.0049 0.0261 -0.0149 458 TRP B CZ2 6021 C CZ3 . TRP B 382 ? 0.1509 0.1274 0.1386 0.0040 0.0040 0.0187 458 TRP B CZ3 6022 C CH2 . TRP B 382 ? 0.1401 0.1205 0.1468 -0.0150 0.0095 0.0068 458 TRP B CH2 6023 N N . ASP B 383 ? 0.1476 0.1418 0.1094 -0.0024 0.0397 0.0341 459 ASP B N 6024 C CA . ASP B 383 ? 0.1311 0.1417 0.0930 -0.0119 0.0361 0.0277 459 ASP B CA 6025 C C . ASP B 383 ? 0.1335 0.1530 0.1149 0.0073 0.0244 0.0129 459 ASP B C 6026 O O . ASP B 383 ? 0.1109 0.1864 0.1232 0.0016 0.0106 0.0069 459 ASP B O 6027 C CB . ASP B 383 ? 0.1340 0.1489 0.0982 -0.0069 0.0447 0.0254 459 ASP B CB 6028 C CG . ASP B 383 ? 0.1555 0.1824 0.1203 0.0086 -0.0002 0.0105 459 ASP B CG 6029 O OD1 . ASP B 383 ? 0.1600 0.2079 0.1680 0.0068 -0.0086 -0.0097 459 ASP B OD1 6030 O OD2 . ASP B 383 ? 0.1532 0.1780 0.1638 -0.0040 -0.0090 -0.0063 459 ASP B OD2 6031 N N . ASP B 384 ? 0.1365 0.1498 0.1037 0.0294 -0.0132 0.0065 460 ASP B N 6032 C CA . ASP B 384 ? 0.1380 0.1464 0.1386 0.0081 -0.0120 0.0414 460 ASP B CA 6033 C C . ASP B 384 ? 0.1330 0.1550 0.1344 -0.0034 -0.0119 0.0265 460 ASP B C 6034 O O . ASP B 384 ? 0.1130 0.1644 0.1405 -0.0055 0.0145 0.0235 460 ASP B O 6035 C CB . ASP B 384 ? 0.1475 0.1412 0.1409 0.0202 -0.0219 0.0271 460 ASP B CB 6036 C CG . ASP B 384 ? 0.1492 0.1433 0.1471 0.0095 -0.0095 0.0156 460 ASP B CG 6037 O OD1 . ASP B 384 ? 0.1361 0.1545 0.1760 0.0133 0.0057 0.0249 460 ASP B OD1 6038 O OD2 . ASP B 384 ? 0.1749 0.1513 0.1560 -0.0103 -0.0129 0.0092 460 ASP B OD2 6039 N N . GLY B 385 ? 0.1423 0.1488 0.1293 -0.0044 -0.0143 -0.0004 461 GLY B N 6040 C CA . GLY B 385 ? 0.1375 0.1412 0.1094 -0.0102 -0.0285 0.0013 461 GLY B CA 6041 C C . GLY B 385 ? 0.1225 0.1352 0.1147 -0.0127 0.0098 -0.0032 461 GLY B C 6042 O O . GLY B 385 ? 0.1482 0.1561 0.1452 0.0050 0.0070 -0.0242 461 GLY B O 6043 N N . ALA B 386 ? 0.1205 0.1466 0.1311 -0.0060 -0.0131 0.0095 462 ALA B N 6044 C CA . ALA B 386 ? 0.1388 0.1363 0.1247 0.0092 0.0059 0.0141 462 ALA B CA 6045 C C . ALA B 386 ? 0.1447 0.1562 0.1117 -0.0043 0.0320 -0.0019 462 ALA B C 6046 O O . ALA B 386 ? 0.1414 0.1800 0.1244 -0.0240 0.0131 0.0057 462 ALA B O 6047 C CB . ALA B 386 ? 0.1398 0.1053 0.1588 0.0278 -0.0072 0.0345 462 ALA B CB 6048 N N . ILE B 387 ? 0.1825 0.1590 0.0692 0.0133 0.0132 -0.0261 463 ILE B N 6049 C CA . ILE B 387 ? 0.2186 0.1569 0.1040 -0.0004 -0.0164 -0.0042 463 ILE B CA 6050 C C . ILE B 387 ? 0.1965 0.1727 0.1152 -0.0095 -0.0155 0.0222 463 ILE B C 6051 O O . ILE B 387 ? 0.2033 0.1672 0.1239 0.0103 -0.0037 0.0090 463 ILE B O 6052 C CB . ILE B 387 ? 0.2558 0.1562 0.1406 -0.0023 -0.0071 -0.0225 463 ILE B CB 6053 C CG1 . ILE B 387 ? 0.2779 0.1593 0.2060 -0.0093 -0.0226 -0.0351 463 ILE B CG1 6054 C CG2 . ILE B 387 ? 0.2787 0.1736 0.1466 0.0038 0.0396 -0.0386 463 ILE B CG2 6055 C CD1 . ILE B 387 ? 0.3098 0.1795 0.2368 -0.0245 -0.0229 0.0002 463 ILE B CD1 6056 N N . LEU B 388 ? 0.1748 0.1677 0.1062 -0.0119 0.0255 0.0305 464 LEU B N 6057 C CA . LEU B 388 ? 0.1871 0.1836 0.1053 -0.0089 0.0246 0.0277 464 LEU B CA 6058 C C . LEU B 388 ? 0.2100 0.2040 0.1124 0.0185 0.0507 0.0170 464 LEU B C 6059 O O . LEU B 388 ? 0.2274 0.2104 0.1589 0.0639 0.0544 0.0296 464 LEU B O 6060 C CB . LEU B 388 ? 0.1722 0.1678 0.1392 -0.0103 0.0278 0.0110 464 LEU B CB 6061 C CG . LEU B 388 ? 0.1802 0.1534 0.1114 -0.0165 0.0218 0.0037 464 LEU B CG 6062 C CD1 . LEU B 388 ? 0.1828 0.1726 0.1300 -0.0228 0.0335 0.0405 464 LEU B CD1 6063 C CD2 . LEU B 388 ? 0.1918 0.1440 0.1462 -0.0198 -0.0348 -0.0020 464 LEU B CD2 6064 N N . PRO B 389 ? 0.2050 0.2069 0.1146 0.0044 0.0299 0.0147 465 PRO B N 6065 C CA . PRO B 389 ? 0.1829 0.1988 0.0933 0.0097 0.0444 0.0435 465 PRO B CA 6066 C C . PRO B 389 ? 0.1684 0.1840 0.1484 0.0014 0.0288 0.0343 465 PRO B C 6067 O O . PRO B 389 ? 0.1752 0.1643 0.1591 -0.0173 0.0166 0.0080 465 PRO B O 6068 C CB . PRO B 389 ? 0.2096 0.2260 0.1125 0.0092 0.0572 0.0709 465 PRO B CB 6069 C CG . PRO B 389 ? 0.2594 0.2484 0.1618 0.0170 0.0603 0.0544 465 PRO B CG 6070 C CD . PRO B 389 ? 0.2365 0.2165 0.1285 -0.0087 0.0657 0.0351 465 PRO B CD 6071 N N . PHE B 390 ? 0.1617 0.1872 0.1067 0.0152 0.0332 0.0162 466 PHE B N 6072 C CA . PHE B 390 ? 0.1628 0.1837 0.0964 -0.0154 0.0231 0.0268 466 PHE B CA 6073 C C . PHE B 390 ? 0.1640 0.1867 0.1314 0.0050 0.0241 0.0647 466 PHE B C 6074 O O . PHE B 390 ? 0.1617 0.1919 0.1492 -0.0004 0.0233 0.0525 466 PHE B O 6075 C CB . PHE B 390 ? 0.1849 0.1915 0.0915 -0.0182 0.0230 0.0039 466 PHE B CB 6076 C CG . PHE B 390 ? 0.1740 0.1872 0.1006 -0.0215 0.0014 -0.0090 466 PHE B CG 6077 C CD1 . PHE B 390 ? 0.1523 0.1751 0.0894 -0.0273 -0.0079 0.0500 466 PHE B CD1 6078 C CD2 . PHE B 390 ? 0.1772 0.1825 0.0976 -0.0375 -0.0141 -0.0419 466 PHE B CD2 6079 C CE1 . PHE B 390 ? 0.1449 0.1886 0.0791 -0.0436 0.0103 0.0033 466 PHE B CE1 6080 C CE2 . PHE B 390 ? 0.1806 0.1751 0.1376 -0.0463 0.0031 -0.0258 466 PHE B CE2 6081 C CZ . PHE B 390 ? 0.1621 0.1753 0.1417 -0.0467 0.0048 -0.0015 466 PHE B CZ 6082 N N . ASP B 391 ? 0.1540 0.1932 0.1348 0.0002 0.0036 0.0434 467 ASP B N 6083 C CA . ASP B 391 ? 0.1754 0.2081 0.1558 -0.0049 0.0137 0.0393 467 ASP B CA 6084 C C . ASP B 391 ? 0.1843 0.2009 0.1349 0.0121 0.0197 0.0067 467 ASP B C 6085 O O . ASP B 391 ? 0.2055 0.2016 0.1504 0.0133 0.0091 0.0274 467 ASP B O 6086 C CB . ASP B 391 ? 0.2012 0.2116 0.1994 -0.0161 0.0388 0.0596 467 ASP B CB 6087 C CG . ASP B 391 ? 0.2272 0.2297 0.2956 -0.0104 0.0679 0.0523 467 ASP B CG 6088 O OD1 . ASP B 391 ? 0.2618 0.2124 0.3303 -0.0172 0.0500 0.0263 467 ASP B OD1 6089 O OD2 . ASP B 391 ? 0.2395 0.2478 0.3083 0.0068 0.0369 0.0556 467 ASP B OD2 6090 N N . ILE B 392 ? 0.1691 0.1762 0.1519 0.0182 0.0117 -0.0088 468 ILE B N 6091 C CA . ILE B 392 ? 0.1806 0.1830 0.1174 0.0093 0.0193 0.0277 468 ILE B CA 6092 C C . ILE B 392 ? 0.1857 0.2045 0.1525 -0.0016 0.0114 0.0142 468 ILE B C 6093 O O . ILE B 392 ? 0.1911 0.2172 0.1632 -0.0250 0.0275 0.0217 468 ILE B O 6094 C CB . ILE B 392 ? 0.1763 0.1884 0.1346 0.0268 0.0145 0.0337 468 ILE B CB 6095 C CG1 . ILE B 392 ? 0.1834 0.1810 0.1308 0.0305 -0.0283 0.0363 468 ILE B CG1 6096 C CG2 . ILE B 392 ? 0.1747 0.1888 0.1762 0.0054 -0.0156 0.0331 468 ILE B CG2 6097 C CD1 . ILE B 392 ? 0.2027 0.1910 0.1422 0.0311 -0.0393 0.0244 468 ILE B CD1 6098 N N . ASP B 393 ? 0.1791 0.2046 0.1343 -0.0049 0.0139 0.0226 469 ASP B N 6099 C CA . ASP B 393 ? 0.2127 0.2373 0.1272 -0.0194 0.0039 0.0232 469 ASP B CA 6100 C C . ASP B 393 ? 0.2539 0.3068 0.1304 -0.0223 0.0462 0.0476 469 ASP B C 6101 O O . ASP B 393 ? 0.2653 0.3313 0.1683 -0.0499 0.0377 0.0683 469 ASP B O 6102 C CB . ASP B 393 ? 0.2063 0.2168 0.1341 -0.0195 -0.0049 0.0266 469 ASP B CB 6103 C CG . ASP B 393 ? 0.2095 0.1792 0.1074 -0.0163 -0.0137 0.0154 469 ASP B CG 6104 O OD1 . ASP B 393 ? 0.2288 0.1752 0.1189 -0.0142 0.0155 0.0343 469 ASP B OD1 6105 O OD2 . ASP B 393 ? 0.2285 0.1709 0.1310 0.0047 0.0035 0.0287 469 ASP B OD2 6106 N N . LYS B 394 ? 0.3075 0.3554 0.0897 -0.0006 0.0279 0.0003 470 LYS B N 6107 C CA . LYS B 394 ? 0.3883 0.4242 0.1996 0.0279 0.0531 -0.0423 470 LYS B CA 6108 C C . LYS B 394 ? 0.4184 0.4590 0.3139 0.0498 0.0293 -0.0593 470 LYS B C 6109 O O . LYS B 394 ? 0.4421 0.4810 0.4336 0.0558 0.0010 -0.0337 470 LYS B O 6110 C CB . LYS B 394 ? 0.4426 0.4568 0.2575 0.0345 0.0583 -0.0230 470 LYS B CB 6111 C CG . LYS B 394 ? 0.4891 0.4894 0.3596 0.0403 0.0369 0.0104 470 LYS B CG 6112 C CD . LYS B 394 ? 0.5204 0.5110 0.4406 0.0434 0.0153 0.0360 470 LYS B CD 6113 C CE . LYS B 394 ? 0.5472 0.5258 0.5068 0.0367 0.0075 0.0535 470 LYS B CE 6114 N NZ . LYS B 394 ? 0.5640 0.5337 0.5359 0.0295 0.0055 0.0604 470 LYS B NZ 6115 CA CA . CA C . ? 0.1438 0.1501 0.1589 -0.0220 -0.0202 -0.0010 601 CA A CA 6116 C C1 . NAG D . ? 0.3034 0.3048 0.3070 -0.0454 0.1222 0.0014 801 NAG A C1 6117 C C2 . NAG D . ? 0.3344 0.3225 0.2968 -0.0510 0.1261 -0.0150 801 NAG A C2 6118 C C3 . NAG D . ? 0.3754 0.3508 0.2939 -0.0586 0.1150 -0.0052 801 NAG A C3 6119 C C4 . NAG D . ? 0.3886 0.3684 0.3171 -0.0706 0.1305 0.0260 801 NAG A C4 6120 C C5 . NAG D . ? 0.3659 0.3593 0.3506 -0.0601 0.1334 0.0072 801 NAG A C5 6121 C C6 . NAG D . ? 0.3833 0.3804 0.4642 -0.0386 0.1154 -0.0092 801 NAG A C6 6122 C C7 . NAG D . ? 0.3273 0.3163 0.3820 -0.0382 0.0871 -0.0291 801 NAG A C7 6123 C C8 . NAG D . ? 0.3269 0.3128 0.4021 -0.0477 0.0764 -0.0215 801 NAG A C8 6124 N N2 . NAG D . ? 0.3256 0.3199 0.3391 -0.0476 0.1108 -0.0102 801 NAG A N2 6125 O O3 . NAG D . ? 0.3951 0.3630 0.3030 -0.0561 0.1043 0.0003 801 NAG A O3 6126 O O4 . NAG D . ? 0.4310 0.4124 0.2930 -0.0827 0.1583 0.0573 801 NAG A O4 6127 O O5 . NAG D . ? 0.3235 0.3221 0.2990 -0.0610 0.1510 0.0116 801 NAG A O5 6128 O O6 . NAG D . ? 0.4090 0.4035 0.5271 -0.0352 0.1016 -0.0075 801 NAG A O6 6129 O O7 . NAG D . ? 0.3355 0.3253 0.4295 -0.0490 0.0658 -0.0104 801 NAG A O7 6130 C C1 . NAG E . ? 0.4873 0.4642 0.3889 -0.0960 0.1520 0.0489 802 NAG A C1 6131 C C2 . NAG E . ? 0.5040 0.4932 0.4411 -0.0970 0.1684 0.0356 802 NAG A C2 6132 C C3 . NAG E . ? 0.5192 0.5103 0.4840 -0.0978 0.1876 0.0361 802 NAG A C3 6133 C C4 . NAG E . ? 0.5296 0.5207 0.5010 -0.0941 0.1725 0.0381 802 NAG A C4 6134 C C5 . NAG E . ? 0.5360 0.5196 0.4950 -0.0927 0.1370 0.0407 802 NAG A C5 6135 C C6 . NAG E . ? 0.5579 0.5384 0.5273 -0.0814 0.1082 0.0353 802 NAG A C6 6136 C C7 . NAG E . ? 0.5100 0.4988 0.4637 -0.1054 0.1405 0.0179 802 NAG A C7 6137 C C8 . NAG E . ? 0.5098 0.5055 0.4654 -0.1147 0.1296 0.0262 802 NAG A C8 6138 N N2 . NAG E . ? 0.5081 0.4973 0.4673 -0.1021 0.1571 0.0357 802 NAG A N2 6139 O O3 . NAG E . ? 0.5241 0.5195 0.5004 -0.0914 0.2064 0.0315 802 NAG A O3 6140 O O4 . NAG E . ? 0.5347 0.5305 0.5174 -0.0861 0.1844 0.0367 802 NAG A O4 6141 O O5 . NAG E . ? 0.5179 0.4936 0.4242 -0.0963 0.1490 0.0396 802 NAG A O5 6142 O O6 . NAG E . ? 0.5738 0.5521 0.5454 -0.0726 0.0846 0.0348 802 NAG A O6 6143 O O7 . NAG E . ? 0.5117 0.4951 0.4733 -0.1003 0.1437 -0.0054 802 NAG A O7 6144 C C1 . NAG F . ? 0.3468 0.3825 0.1908 -0.0169 -0.0104 -0.1434 803 NAG A C1 6145 C C2 . NAG F . ? 0.3737 0.4212 0.1635 -0.0198 0.0007 -0.1384 803 NAG A C2 6146 C C3 . NAG F . ? 0.4123 0.4837 0.1992 -0.0219 0.0104 -0.1312 803 NAG A C3 6147 C C4 . NAG F . ? 0.4455 0.5086 0.2310 -0.0284 -0.0511 -0.1764 803 NAG A C4 6148 C C5 . NAG F . ? 0.4177 0.4682 0.2733 -0.0241 -0.0356 -0.2089 803 NAG A C5 6149 C C6 . NAG F . ? 0.4273 0.4805 0.3846 -0.0217 -0.0218 -0.2222 803 NAG A C6 6150 C C7 . NAG F . ? 0.3533 0.3976 0.2414 -0.0229 0.0123 -0.1103 803 NAG A C7 6151 C C8 . NAG F . ? 0.3462 0.3917 0.2711 -0.0147 0.0135 -0.0928 803 NAG A C8 6152 N N2 . NAG F . ? 0.3554 0.4100 0.1931 -0.0231 0.0199 -0.0951 803 NAG A N2 6153 O O3 . NAG F . ? 0.4227 0.5143 0.1950 -0.0297 0.0434 -0.0883 803 NAG A O3 6154 O O4 . NAG F . ? 0.5038 0.5677 0.2677 -0.0158 -0.0516 -0.1937 803 NAG A O4 6155 O O5 . NAG F . ? 0.3775 0.4196 0.2190 -0.0172 -0.0273 -0.1847 803 NAG A O5 6156 O O6 . NAG F . ? 0.4394 0.4999 0.4545 -0.0206 0.0040 -0.2236 803 NAG A O6 6157 O O7 . NAG F . ? 0.3692 0.4082 0.3082 -0.0385 -0.0286 -0.1113 803 NAG A O7 6158 C C1 . NAG G . ? 0.5459 0.6175 0.3382 -0.0148 -0.0941 -0.1768 804 NAG A C1 6159 C C2 . NAG G . ? 0.5769 0.6468 0.4091 -0.0199 -0.1036 -0.1477 804 NAG A C2 6160 C C3 . NAG G . ? 0.5866 0.6543 0.4449 0.0019 -0.0979 -0.1445 804 NAG A C3 6161 C C4 . NAG G . ? 0.5891 0.6491 0.4478 0.0202 -0.0910 -0.1466 804 NAG A C4 6162 C C5 . NAG G . ? 0.5838 0.6456 0.4083 0.0099 -0.0912 -0.1584 804 NAG A C5 6163 C C6 . NAG G . ? 0.6000 0.6516 0.4372 0.0106 -0.0629 -0.1421 804 NAG A C6 6164 C C7 . NAG G . ? 0.6153 0.6731 0.5304 -0.0432 -0.1129 -0.0974 804 NAG A C7 6165 C C8 . NAG G . ? 0.6223 0.6710 0.5413 -0.0394 -0.1238 -0.0884 804 NAG A C8 6166 N N2 . NAG G . ? 0.5947 0.6593 0.4593 -0.0454 -0.1207 -0.1241 804 NAG A N2 6167 O O3 . NAG G . ? 0.5904 0.6622 0.4642 0.0053 -0.1011 -0.1369 804 NAG A O3 6168 O O4 . NAG G . ? 0.6001 0.6497 0.4977 0.0434 -0.0787 -0.1108 804 NAG A O4 6169 O O5 . NAG G . ? 0.5607 0.6317 0.3412 0.0089 -0.0768 -0.1874 804 NAG A O5 6170 O O6 . NAG G . ? 0.6108 0.6545 0.4501 0.0123 -0.0577 -0.1309 804 NAG A O6 6171 O O7 . NAG G . ? 0.6228 0.6828 0.5753 -0.0402 -0.0924 -0.0861 804 NAG A O7 6172 C C1 . BMA H . ? 0.6042 0.6423 0.5472 0.0587 -0.0473 -0.0855 805 BMA A C1 6173 C C2 . BMA H . ? 0.6110 0.6467 0.5897 0.0594 -0.0332 -0.0677 805 BMA A C2 6174 C C3 . BMA H . ? 0.6108 0.6446 0.6054 0.0647 -0.0250 -0.0554 805 BMA A C3 6175 C C4 . BMA H . ? 0.5972 0.6323 0.5716 0.0678 -0.0346 -0.0562 805 BMA A C4 6176 C C5 . BMA H . ? 0.5848 0.6058 0.5130 0.0743 -0.0447 -0.0760 805 BMA A C5 6177 C C6 . BMA H . ? 0.5595 0.5570 0.4301 0.0884 -0.0561 -0.0910 805 BMA A C6 6178 O O2 . BMA H . ? 0.6166 0.6482 0.5947 0.0549 -0.0312 -0.0687 805 BMA A O2 6179 O O3 . BMA H . ? 0.6239 0.6544 0.6278 0.0591 -0.0109 -0.0593 805 BMA A O3 6180 O O4 . BMA H . ? 0.5965 0.6422 0.5657 0.0630 -0.0364 -0.0479 805 BMA A O4 6181 O O5 . BMA H . ? 0.5977 0.6286 0.5200 0.0669 -0.0406 -0.0892 805 BMA A O5 6182 O O6 . BMA H . ? 0.5287 0.5065 0.3248 0.0970 -0.0852 -0.0975 805 BMA A O6 6183 C C1 . GOL I . ? 0.2073 0.1643 0.1092 0.0245 0.0022 0.0112 1 GOL A C1 6184 O O1 . GOL I . ? 0.2051 0.1453 0.1320 0.0124 0.0020 -0.0187 1 GOL A O1 6185 C C2 . GOL I . ? 0.1818 0.1653 0.1872 0.0411 0.0187 0.0081 1 GOL A C2 6186 O O2 . GOL I . ? 0.1630 0.1581 0.1918 0.0322 -0.0047 -0.0009 1 GOL A O2 6187 C C3 . GOL I . ? 0.1561 0.1637 0.1704 0.0761 0.0024 -0.0102 1 GOL A C3 6188 O O3 . GOL I . ? 0.1398 0.1437 0.2059 0.0260 -0.0043 0.0059 1 GOL A O3 6189 C C1 . GOL J . ? 0.2331 0.3168 0.3401 -0.0437 -0.0187 -0.0435 472 GOL A C1 6190 O O1 . GOL J . ? 0.2581 0.3298 0.4223 -0.0314 -0.0060 -0.0270 472 GOL A O1 6191 C C2 . GOL J . ? 0.2288 0.2997 0.2904 -0.0335 0.0326 -0.0272 472 GOL A C2 6192 O O2 . GOL J . ? 0.2380 0.2997 0.2742 -0.0428 0.0279 -0.0696 472 GOL A O2 6193 C C3 . GOL J . ? 0.1924 0.2633 0.2703 -0.0444 0.0670 -0.0252 472 GOL A C3 6194 O O3 . GOL J . ? 0.1971 0.2513 0.2565 -0.0510 0.0618 -0.0197 472 GOL A O3 6195 C C1 . GOL K . ? 0.3536 0.3756 0.3105 -0.0476 0.0547 0.0362 473 GOL A C1 6196 O O1 . GOL K . ? 0.3478 0.3799 0.3385 -0.0647 0.0596 0.0502 473 GOL A O1 6197 C C2 . GOL K . ? 0.3565 0.3720 0.2740 -0.0352 0.0435 0.0203 473 GOL A C2 6198 O O2 . GOL K . ? 0.3536 0.3745 0.2819 -0.0178 0.0623 -0.0201 473 GOL A O2 6199 C C3 . GOL K . ? 0.3815 0.3703 0.2735 -0.0429 0.0324 0.0263 473 GOL A C3 6200 O O3 . GOL K . ? 0.3992 0.3771 0.3211 -0.0514 0.0546 0.0181 473 GOL A O3 6201 CA CA . CA L . ? 0.1395 0.1366 0.1294 -0.0252 0.0250 0.0135 601 CA B CA 6202 C C1 . NAG M . ? 0.2608 0.3028 0.3017 -0.0257 -0.0891 0.0176 801 NAG B C1 6203 C C2 . NAG M . ? 0.2892 0.3168 0.2497 -0.0385 -0.0801 0.0157 801 NAG B C2 6204 C C3 . NAG M . ? 0.3155 0.3566 0.2835 -0.0636 -0.0886 0.0154 801 NAG B C3 6205 C C4 . NAG M . ? 0.3309 0.3885 0.3231 -0.0708 -0.1004 0.0304 801 NAG B C4 6206 C C5 . NAG M . ? 0.3012 0.3618 0.3072 -0.0458 -0.1247 0.0488 801 NAG B C5 6207 C C6 . NAG M . ? 0.3121 0.3728 0.3924 -0.0210 -0.1293 0.0619 801 NAG B C6 6208 C C7 . NAG M . ? 0.3068 0.3047 0.3633 0.0063 -0.0352 -0.0010 801 NAG B C7 6209 C C8 . NAG M . ? 0.2999 0.3023 0.3579 -0.0015 -0.0391 -0.0319 801 NAG B C8 6210 N N2 . NAG M . ? 0.2996 0.3064 0.2778 -0.0160 -0.0515 0.0201 801 NAG B N2 6211 O O3 . NAG M . ? 0.3211 0.3588 0.2886 -0.0767 -0.0974 0.0288 801 NAG B O3 6212 O O4 . NAG M . ? 0.3647 0.4467 0.3301 -0.0972 -0.1249 0.0394 801 NAG B O4 6213 O O5 . NAG M . ? 0.2533 0.3277 0.3083 -0.0407 -0.1146 0.0366 801 NAG B O5 6214 O O6 . NAG M . ? 0.3482 0.4040 0.4683 -0.0174 -0.1197 0.0412 801 NAG B O6 6215 O O7 . NAG M . ? 0.3169 0.3042 0.4320 0.0167 -0.0276 0.0171 801 NAG B O7 6216 C C1 . NAG N . ? 0.4174 0.4909 0.3712 -0.1241 -0.1517 0.0843 802 NAG B C1 6217 C C2 . NAG N . ? 0.4278 0.5053 0.3899 -0.1362 -0.1719 0.0883 802 NAG B C2 6218 C C3 . NAG N . ? 0.4515 0.5296 0.4202 -0.1376 -0.1779 0.1110 802 NAG B C3 6219 C C4 . NAG N . ? 0.4640 0.5464 0.4542 -0.1237 -0.1817 0.1176 802 NAG B C4 6220 C C5 . NAG N . ? 0.4689 0.5499 0.4465 -0.1161 -0.1704 0.1306 802 NAG B C5 6221 C C6 . NAG N . ? 0.4899 0.5733 0.5060 -0.0931 -0.1638 0.1446 802 NAG B C6 6222 C C7 . NAG N . ? 0.4318 0.5024 0.4007 -0.1315 -0.1438 0.0689 802 NAG B C7 6223 C C8 . NAG N . ? 0.4336 0.5052 0.3967 -0.1267 -0.1382 0.0501 802 NAG B C8 6224 N N2 . NAG N . ? 0.4248 0.4950 0.3763 -0.1355 -0.1684 0.0891 802 NAG B N2 6225 O O3 . NAG N . ? 0.4727 0.5335 0.4397 -0.1446 -0.1616 0.1032 802 NAG B O3 6226 O O4 . NAG N . ? 0.4737 0.5581 0.4899 -0.1247 -0.1907 0.0864 802 NAG B O4 6227 O O5 . NAG N . ? 0.4464 0.5308 0.3825 -0.1233 -0.1729 0.1138 802 NAG B O5 6228 O O6 . NAG N . ? 0.5096 0.5850 0.5655 -0.0774 -0.1410 0.1423 802 NAG B O6 6229 O O7 . NAG N . ? 0.4373 0.5059 0.3929 -0.1320 -0.1452 0.0698 802 NAG B O7 6230 C C1 . NAG O . ? 0.2918 0.3390 0.1717 -0.0712 -0.0107 0.1076 803 NAG B C1 6231 C C2 . NAG O . ? 0.3065 0.3740 0.1620 -0.0674 -0.0224 0.1128 803 NAG B C2 6232 C C3 . NAG O . ? 0.3427 0.4383 0.1541 -0.0861 -0.0507 0.0841 803 NAG B C3 6233 C C4 . NAG O . ? 0.3730 0.4608 0.1797 -0.1046 -0.0283 0.1028 803 NAG B C4 6234 C C5 . NAG O . ? 0.3564 0.4252 0.2268 -0.0991 -0.0313 0.1279 803 NAG B C5 6235 C C6 . NAG O . ? 0.3707 0.4411 0.3071 -0.1005 -0.0095 0.1598 803 NAG B C6 6236 C C7 . NAG O . ? 0.3113 0.3520 0.2674 -0.0387 -0.0441 0.1242 803 NAG B C7 6237 C C8 . NAG O . ? 0.3236 0.3533 0.2885 -0.0447 -0.0280 0.1198 803 NAG B C8 6238 N N2 . NAG O . ? 0.3062 0.3571 0.2211 -0.0539 -0.0272 0.1192 803 NAG B N2 6239 O O3 . NAG O . ? 0.3562 0.4678 0.1759 -0.1010 -0.0633 0.0794 803 NAG B O3 6240 O O4 . NAG O . ? 0.4228 0.5179 0.2462 -0.1057 -0.0464 0.1132 803 NAG B O4 6241 O O5 . NAG O . ? 0.3261 0.3751 0.1936 -0.1006 -0.0055 0.1217 803 NAG B O5 6242 O O6 . NAG O . ? 0.3871 0.4617 0.3753 -0.1053 0.0035 0.1520 803 NAG B O6 6243 O O7 . NAG O . ? 0.3104 0.3499 0.3322 -0.0421 -0.0128 0.1097 803 NAG B O7 6244 C C1 . NAG P . ? 0.4664 0.5487 0.3085 -0.1006 -0.0332 0.1335 804 NAG B C1 6245 C C2 . NAG P . ? 0.5021 0.5900 0.3988 -0.0908 -0.0256 0.1181 804 NAG B C2 6246 C C3 . NAG P . ? 0.5105 0.6020 0.4261 -0.0832 -0.0234 0.1062 804 NAG B C3 6247 C C4 . NAG P . ? 0.5056 0.5734 0.3974 -0.0776 -0.0249 0.1093 804 NAG B C4 6248 C C5 . NAG P . ? 0.4903 0.5554 0.3338 -0.0948 -0.0377 0.1363 804 NAG B C5 6249 C C6 . NAG P . ? 0.4936 0.5539 0.3257 -0.1009 -0.0455 0.1322 804 NAG B C6 6250 C C7 . NAG P . ? 0.5474 0.6310 0.5332 -0.0560 0.0067 0.0722 804 NAG B C7 6251 C C8 . NAG P . ? 0.5524 0.6341 0.5755 -0.0611 0.0030 0.0754 804 NAG B C8 6252 N N2 . NAG P . ? 0.5265 0.6115 0.4685 -0.0765 -0.0055 0.0976 804 NAG B N2 6253 O O3 . NAG P . ? 0.5213 0.6268 0.4693 -0.0889 -0.0189 0.1067 804 NAG B O3 6254 O O4 . NAG P . ? 0.5177 0.5636 0.4094 -0.0543 -0.0137 0.0827 804 NAG B O4 6255 O O5 . NAG P . ? 0.4735 0.5397 0.2757 -0.0986 -0.0441 0.1714 804 NAG B O5 6256 O O6 . NAG P . ? 0.4987 0.5549 0.3492 -0.1085 -0.0415 0.1209 804 NAG B O6 6257 O O7 . NAG P . ? 0.5619 0.6423 0.5340 -0.0359 0.0287 0.0553 804 NAG B O7 6258 C C1 . BMA Q . ? 0.5120 0.5457 0.4260 -0.0350 0.0081 0.0415 805 BMA B C1 6259 C C2 . BMA Q . ? 0.5236 0.5490 0.4536 -0.0188 0.0316 0.0154 805 BMA B C2 6260 C C3 . BMA Q . ? 0.5240 0.5578 0.4577 -0.0041 0.0371 0.0098 805 BMA B C3 6261 C C4 . BMA Q . ? 0.5065 0.5513 0.4423 -0.0090 0.0479 -0.0033 805 BMA B C4 6262 C C5 . BMA Q . ? 0.4855 0.5266 0.4063 -0.0249 0.0398 0.0146 805 BMA B C5 6263 C C6 . BMA Q . ? 0.4576 0.4967 0.3531 -0.0362 0.0361 0.0185 805 BMA B C6 6264 O O2 . BMA Q . ? 0.5311 0.5513 0.4719 -0.0132 0.0526 0.0064 805 BMA B O2 6265 O O3 . BMA Q . ? 0.5390 0.5718 0.4777 0.0010 0.0368 0.0128 805 BMA B O3 6266 O O4 . BMA Q . ? 0.5075 0.5693 0.4673 -0.0057 0.0597 -0.0162 805 BMA B O4 6267 O O5 . BMA Q . ? 0.4962 0.5316 0.4137 -0.0368 0.0222 0.0415 805 BMA B O5 6268 O O6 . BMA Q . ? 0.4281 0.4689 0.3264 -0.0512 0.0444 0.0123 805 BMA B O6 6269 C C1 . GOL R . ? 0.2265 0.2567 0.2216 -0.0985 0.0018 -0.0082 1 GOL B C1 6270 O O1 . GOL R . ? 0.2314 0.2444 0.1913 -0.0914 0.0145 0.0204 1 GOL B O1 6271 C C2 . GOL R . ? 0.2329 0.2569 0.2511 -0.0913 0.0186 0.0008 1 GOL B C2 6272 O O2 . GOL R . ? 0.2071 0.2492 0.2335 -0.0777 0.0136 0.0246 1 GOL B O2 6273 C C3 . GOL R . ? 0.2398 0.2789 0.2884 -0.0993 0.0053 -0.0091 1 GOL B C3 6274 O O3 . GOL R . ? 0.2703 0.3175 0.3434 -0.0777 0.0258 0.0364 1 GOL B O3 6275 C C1 . GOL S . ? 0.1703 0.1790 0.1794 0.0422 -0.0093 0.0047 472 GOL B C1 6276 O O1 . GOL S . ? 0.1417 0.1724 0.1922 0.0031 -0.0019 -0.0240 472 GOL B O1 6277 C C2 . GOL S . ? 0.1704 0.1663 0.1658 0.0250 -0.0274 -0.0021 472 GOL B C2 6278 O O2 . GOL S . ? 0.1777 0.1599 0.1729 0.0089 -0.0209 -0.0182 472 GOL B O2 6279 C C3 . GOL S . ? 0.1757 0.1990 0.1230 0.0021 -0.0229 -0.0077 472 GOL B C3 6280 O O3 . GOL S . ? 0.1637 0.2136 0.1542 0.0006 -0.0121 -0.0023 472 GOL B O3 6281 O O . HOH T . ? 0.1024 0.1339 0.1661 0.0027 -0.0164 -0.0125 2 HOH A O 6282 O O . HOH T . ? 0.1215 0.1219 0.1319 -0.0333 0.0080 -0.0126 3 HOH A O 6283 O O . HOH T . ? 0.1257 0.1280 0.1416 -0.0300 0.0081 0.0162 5 HOH A O 6284 O O . HOH T . ? 0.1203 0.1714 0.1607 0.0010 0.0132 -0.0121 8 HOH A O 6285 O O . HOH T . ? 0.1748 0.2155 0.1766 -0.0452 -0.0351 -0.0303 9 HOH A O 6286 O O . HOH T . ? 0.1163 0.1404 0.1605 -0.0066 0.0232 -0.0194 10 HOH A O 6287 O O . HOH T . ? 0.1986 0.1713 0.1737 -0.0320 0.0007 -0.0375 11 HOH A O 6288 O O . HOH T . ? 0.1444 0.1364 0.1435 0.0083 -0.0126 -0.0131 12 HOH A O 6289 O O . HOH T . ? 0.1166 0.1211 0.1859 0.0048 0.0168 -0.0192 13 HOH A O 6290 O O . HOH T . ? 0.1068 0.1631 0.1414 0.0321 0.0368 0.0004 16 HOH A O 6291 O O . HOH T . ? 0.1604 0.1370 0.1908 -0.0050 0.0085 -0.0248 19 HOH A O 6292 O O . HOH T . ? 0.1511 0.1308 0.1270 0.0190 0.0044 -0.0083 20 HOH A O 6293 O O . HOH T . ? 0.1146 0.1663 0.1229 -0.0055 -0.0149 -0.0079 21 HOH A O 6294 O O . HOH T . ? 0.1722 0.1255 0.1433 0.0067 -0.0249 -0.0266 27 HOH A O 6295 O O . HOH T . ? 0.2010 0.1225 0.1487 -0.0198 0.0008 -0.0070 28 HOH A O 6296 O O . HOH T . ? 0.1167 0.1550 0.1598 0.0061 0.0012 0.0046 30 HOH A O 6297 O O . HOH T . ? 0.1229 0.1697 0.1491 -0.0230 -0.0217 -0.0190 32 HOH A O 6298 O O . HOH T . ? 0.2289 0.1742 0.1780 -0.0824 0.0727 -0.0070 35 HOH A O 6299 O O . HOH T . ? 0.1359 0.1456 0.1347 0.0109 -0.0256 0.0120 39 HOH A O 6300 O O . HOH T . ? 0.1228 0.1213 0.1757 -0.0054 0.0015 0.0100 40 HOH A O 6301 O O . HOH T . ? 0.2073 0.2107 0.1296 -0.0109 0.0046 -0.0396 43 HOH A O 6302 O O . HOH T . ? 0.1296 0.2085 0.1808 -0.0126 -0.0044 0.0173 46 HOH A O 6303 O O . HOH T . ? 0.1887 0.1656 0.1940 -0.0430 0.0085 -0.0106 49 HOH A O 6304 O O . HOH T . ? 0.1766 0.1975 0.1421 -0.0215 -0.0002 -0.0203 50 HOH A O 6305 O O . HOH T . ? 0.1685 0.1399 0.1199 -0.0025 -0.0236 -0.0208 53 HOH A O 6306 O O . HOH T . ? 0.1457 0.2402 0.1684 0.0468 -0.0155 -0.0121 54 HOH A O 6307 O O . HOH T . ? 0.1553 0.1888 0.2265 -0.0482 -0.0103 -0.0163 55 HOH A O 6308 O O . HOH T . ? 0.1557 0.1452 0.1643 -0.0110 0.0240 -0.0108 56 HOH A O 6309 O O . HOH T . ? 0.1442 0.1312 0.1600 -0.0268 -0.0076 0.0111 57 HOH A O 6310 O O . HOH T . ? 0.2318 0.2207 0.1144 -0.0358 0.0149 -0.0113 58 HOH A O 6311 O O . HOH T . ? 0.1505 0.1156 0.1979 -0.0266 -0.0335 -0.0139 59 HOH A O 6312 O O . HOH T . ? 0.2443 0.1079 0.1841 0.0409 0.0273 0.0035 60 HOH A O 6313 O O . HOH T . ? 0.2036 0.1749 0.1411 -0.0215 0.0388 -0.0214 63 HOH A O 6314 O O . HOH T . ? 0.1492 0.1905 0.2163 -0.0243 0.0117 -0.0217 64 HOH A O 6315 O O . HOH T . ? 0.1602 0.1260 0.1103 -0.0075 -0.0132 0.0033 68 HOH A O 6316 O O . HOH T . ? 0.1703 0.1239 0.1682 0.0144 0.0084 0.0024 72 HOH A O 6317 O O . HOH T . ? 0.2128 0.1607 0.1785 0.0206 -0.0544 -0.0067 74 HOH A O 6318 O O . HOH T . ? 0.1439 0.1518 0.1704 -0.0075 -0.0157 0.0118 75 HOH A O 6319 O O . HOH T . ? 0.1340 0.1416 0.1694 -0.0058 -0.0117 0.0003 77 HOH A O 6320 O O . HOH T . ? 0.1393 0.1164 0.2408 -0.0223 -0.0109 0.0243 79 HOH A O 6321 O O . HOH T . ? 0.1726 0.1874 0.2035 0.0221 -0.0438 -0.0301 80 HOH A O 6322 O O . HOH T . ? 0.2897 0.3428 0.3128 0.0977 -0.0308 -0.0173 307 HOH A O 6323 O O . HOH T . ? 0.2752 0.5058 0.3201 0.0036 0.0130 0.0048 386 HOH A O 6324 O O . HOH T . ? 0.4102 0.2576 0.5474 -0.0195 -0.1023 -0.0695 474 HOH A O 6325 O O . HOH T . ? 0.1741 0.1447 0.1205 -0.0288 -0.0209 0.0090 475 HOH A O 6326 O O . HOH T . ? 0.5290 0.3990 0.5303 0.0037 -0.1935 -0.1494 476 HOH A O 6327 O O . HOH T . ? 0.1345 0.2616 0.2349 -0.0486 -0.0086 -0.0744 477 HOH A O 6328 O O . HOH T . ? 0.6885 0.4908 0.4097 0.0806 0.2833 0.1675 478 HOH A O 6329 O O . HOH T . ? 0.4656 0.2354 0.4482 -0.0188 0.0369 -0.0870 479 HOH A O 6330 O O . HOH T . ? 0.1882 0.1813 0.1920 -0.0560 0.0390 0.0061 480 HOH A O 6331 O O . HOH T . ? 0.1446 0.1916 0.2077 -0.0085 -0.0551 -0.0455 481 HOH A O 6332 O O . HOH T . ? 0.2706 0.3471 0.5062 0.0430 -0.0364 -0.0460 482 HOH A O 6333 O O . HOH T . ? 0.3859 0.6264 0.4238 0.1960 -0.1400 -0.1827 483 HOH A O 6334 O O . HOH T . ? 0.4483 0.5671 0.6252 0.2363 -0.0496 0.2193 484 HOH A O 6335 O O . HOH T . ? 0.1650 0.1244 0.2747 -0.0005 -0.0127 -0.0534 485 HOH A O 6336 O O . HOH T . ? 0.4098 0.4492 0.4847 -0.0729 0.1563 0.0128 486 HOH A O 6337 O O . HOH T . ? 0.1936 0.2986 0.2073 0.0177 0.0394 0.0454 487 HOH A O 6338 O O . HOH T . ? 0.5554 0.3841 0.2870 -0.0550 0.0755 -0.0225 488 HOH A O 6339 O O . HOH T . ? 0.1128 0.2295 0.2605 -0.0218 -0.0296 -0.0262 489 HOH A O 6340 O O . HOH T . ? 0.1495 0.2820 0.2084 0.0173 0.0140 -0.0136 490 HOH A O 6341 O O . HOH T . ? 0.2472 0.4762 0.6914 -0.1608 -0.0847 0.0887 491 HOH A O 6342 O O . HOH T . ? 0.4813 0.2848 0.5425 -0.0207 0.0567 -0.1551 492 HOH A O 6343 O O . HOH T . ? 0.2704 0.1857 0.2007 0.0515 0.0470 -0.0196 493 HOH A O 6344 O O . HOH T . ? 0.5450 0.5365 0.4498 0.0986 0.2427 -0.0707 494 HOH A O 6345 O O . HOH T . ? 0.2097 0.2251 0.1761 -0.0380 0.0365 -0.0262 495 HOH A O 6346 O O . HOH T . ? 0.5252 0.3219 0.2931 0.0423 -0.0208 0.0599 496 HOH A O 6347 O O . HOH T . ? 0.1536 0.1179 0.2393 0.0247 -0.0169 0.0324 497 HOH A O 6348 O O . HOH T . ? 0.1492 0.1661 0.1889 -0.0138 -0.0209 -0.0278 498 HOH A O 6349 O O . HOH T . ? 0.4291 0.4890 0.4743 0.0465 -0.1619 -0.0889 499 HOH A O 6350 O O . HOH T . ? 0.2145 0.2853 0.1299 -0.0154 0.0235 -0.0302 500 HOH A O 6351 O O . HOH T . ? 0.2146 0.2797 0.2001 -0.0340 -0.0383 0.0079 501 HOH A O 6352 O O . HOH T . ? 0.2301 0.1816 0.2041 0.0501 0.0415 -0.0115 502 HOH A O 6353 O O . HOH T . ? 0.6244 0.1836 0.6335 0.1099 0.1365 0.0222 503 HOH A O 6354 O O . HOH T . ? 0.3474 0.4139 0.4544 0.0877 0.1115 -0.0504 504 HOH A O 6355 O O . HOH T . ? 0.1772 0.1705 0.2741 0.0467 0.0361 -0.0408 505 HOH A O 6356 O O . HOH T . ? 0.1314 0.3407 0.1969 0.0459 0.0015 -0.0489 506 HOH A O 6357 O O . HOH T . ? 0.1690 0.1737 0.2586 0.0121 -0.0093 0.0203 507 HOH A O 6358 O O . HOH T . ? 0.3929 0.6983 0.3331 0.0013 -0.0921 0.1597 508 HOH A O 6359 O O . HOH T . ? 0.1891 0.3667 0.2297 -0.0132 -0.0436 0.0448 509 HOH A O 6360 O O . HOH T . ? 0.3133 0.2294 0.4480 -0.0568 0.0385 -0.0186 510 HOH A O 6361 O O . HOH T . ? 0.2089 0.2772 0.2324 0.0250 0.0411 0.1162 511 HOH A O 6362 O O . HOH T . ? 0.5466 0.6073 0.3096 0.1019 -0.0287 -0.1441 512 HOH A O 6363 O O . HOH T . ? 0.4199 0.4298 0.5371 0.1003 -0.0528 0.0281 513 HOH A O 6364 O O . HOH T . ? 0.4549 0.7100 0.3535 -0.0014 0.1468 0.0217 514 HOH A O 6365 O O . HOH T . ? 0.3908 0.3248 0.2233 -0.1240 0.0275 -0.0987 515 HOH A O 6366 O O . HOH T . ? 0.1652 0.1514 0.2154 -0.0121 0.0108 0.0030 516 HOH A O 6367 O O . HOH T . ? 0.3860 0.6304 0.3356 -0.1711 -0.0306 0.1732 517 HOH A O 6368 O O . HOH T . ? 0.3451 0.1738 0.2618 0.1181 -0.0661 -0.0710 518 HOH A O 6369 O O . HOH T . ? 0.3051 0.6371 0.4837 -0.0699 -0.1574 -0.2101 519 HOH A O 6370 O O . HOH T . ? 0.6484 0.6491 0.4306 0.0637 -0.1231 0.0063 520 HOH A O 6371 O O . HOH T . ? 0.2454 0.2121 0.2438 0.0220 -0.0826 -0.0158 521 HOH A O 6372 O O . HOH T . ? 0.5277 0.4787 0.3624 -0.0402 -0.0111 0.1948 522 HOH A O 6373 O O . HOH T . ? 0.6601 0.3892 0.4048 -0.0145 0.0431 -0.0544 523 HOH A O 6374 O O . HOH T . ? 0.5066 0.5842 0.5030 -0.0917 -0.0359 0.1054 524 HOH A O 6375 O O . HOH T . ? 0.1930 0.1998 0.1919 0.0066 0.0386 -0.0031 525 HOH A O 6376 O O . HOH T . ? 0.1447 0.2734 0.2928 0.0339 -0.0252 -0.0668 526 HOH A O 6377 O O . HOH T . ? 0.2144 0.2557 0.2050 -0.0143 -0.0425 -0.0304 527 HOH A O 6378 O O . HOH T . ? 0.5818 0.2509 0.4966 0.0324 -0.1375 -0.0048 528 HOH A O 6379 O O . HOH T . ? 0.4523 0.4110 0.5528 0.1359 0.1380 0.0926 529 HOH A O 6380 O O . HOH T . ? 0.4626 0.5445 0.6091 -0.2010 -0.0667 -0.1332 530 HOH A O 6381 O O . HOH T . ? 0.2591 0.2572 0.2170 0.0040 -0.0228 -0.1005 531 HOH A O 6382 O O . HOH T . ? 0.1544 0.2677 0.2309 0.0442 0.0486 0.0800 532 HOH A O 6383 O O . HOH T . ? 0.5719 0.3371 0.5940 -0.1650 -0.1057 -0.0607 533 HOH A O 6384 O O . HOH T . ? 0.3653 0.4150 0.3959 0.0543 0.0217 -0.0495 534 HOH A O 6385 O O . HOH T . ? 0.2400 0.2638 0.2867 -0.0357 -0.0283 -0.0852 535 HOH A O 6386 O O . HOH T . ? 0.2322 0.3335 0.2488 -0.0922 -0.0477 0.0608 536 HOH A O 6387 O O . HOH T . ? 0.3630 0.6263 0.4574 0.0882 0.1695 0.1799 537 HOH A O 6388 O O . HOH T . ? 0.1617 0.2913 0.2367 0.0372 0.0414 0.0346 538 HOH A O 6389 O O . HOH T . ? 0.2244 0.2940 0.1661 0.0061 -0.0044 0.0168 539 HOH A O 6390 O O . HOH T . ? 0.1971 0.2533 0.1925 0.0205 -0.0162 -0.0060 540 HOH A O 6391 O O . HOH T . ? 0.2130 0.2997 0.1940 -0.0203 -0.0437 0.0133 541 HOH A O 6392 O O . HOH T . ? 0.2627 0.2466 0.2102 -0.0110 0.0639 -0.0268 542 HOH A O 6393 O O . HOH T . ? 0.2981 0.3954 0.3699 -0.0133 -0.0009 -0.0677 543 HOH A O 6394 O O . HOH T . ? 0.4389 0.2909 0.5065 -0.1199 0.0774 -0.1992 544 HOH A O 6395 O O . HOH T . ? 0.5301 0.6228 0.4825 -0.1038 -0.0337 -0.0434 545 HOH A O 6396 O O . HOH T . ? 0.3008 0.3186 0.1859 -0.0303 -0.0493 -0.0440 546 HOH A O 6397 O O . HOH T . ? 0.4626 0.4177 0.5223 0.0455 -0.2216 -0.1996 547 HOH A O 6398 O O . HOH T . ? 0.1983 0.1717 0.2226 0.0099 -0.0223 0.0253 548 HOH A O 6399 O O . HOH T . ? 0.5800 0.3304 0.2867 0.0131 0.0164 -0.0403 549 HOH A O 6400 O O . HOH T . ? 0.3072 0.3404 0.2581 -0.1000 -0.0366 0.1453 550 HOH A O 6401 O O . HOH T . ? 0.3170 0.2662 0.1805 -0.1263 -0.0650 0.0353 551 HOH A O 6402 O O . HOH T . ? 0.3608 0.3001 0.5665 -0.0671 0.0323 -0.0877 552 HOH A O 6403 O O . HOH T . ? 0.4519 0.6248 0.3847 0.0874 -0.1286 -0.0083 553 HOH A O 6404 O O . HOH T . ? 0.3474 0.4250 0.2836 -0.0315 -0.0217 -0.0410 554 HOH A O 6405 O O . HOH T . ? 0.1926 0.2684 0.3451 0.0081 0.0633 -0.0470 555 HOH A O 6406 O O . HOH T . ? 0.1718 0.7461 0.6353 0.0996 0.1259 0.0515 556 HOH A O 6407 O O . HOH T . ? 0.3964 0.3858 0.7236 0.1718 -0.2962 -0.2658 557 HOH A O 6408 O O . HOH T . ? 0.2661 0.2870 0.2177 -0.0599 0.0379 -0.0543 558 HOH A O 6409 O O . HOH T . ? 0.2665 0.2352 0.2976 -0.0306 -0.0263 -0.0303 559 HOH A O 6410 O O . HOH T . ? 0.2172 0.2324 0.5028 -0.0802 0.0007 0.0214 560 HOH A O 6411 O O . HOH T . ? 0.6064 0.4894 0.2634 0.2619 0.0902 -0.0578 561 HOH A O 6412 O O . HOH T . ? 0.1955 0.2791 0.2173 -0.0593 0.0344 -0.0112 562 HOH A O 6413 O O . HOH T . ? 0.3324 0.5191 0.3100 -0.1294 -0.1021 0.0427 563 HOH A O 6414 O O . HOH T . ? 0.2345 0.2425 0.2091 -0.0249 0.0512 0.0339 564 HOH A O 6415 O O . HOH T . ? 0.2340 0.2357 0.2429 0.0488 -0.0536 -0.0638 565 HOH A O 6416 O O . HOH T . ? 0.5813 0.5347 0.3254 -0.1053 0.0746 -0.1092 566 HOH A O 6417 O O . HOH T . ? 0.2102 0.2866 0.3989 -0.0082 0.0681 -0.0394 567 HOH A O 6418 O O . HOH T . ? 0.3102 0.2810 0.2684 -0.0733 0.0710 0.0101 568 HOH A O 6419 O O . HOH T . ? 0.2774 0.3265 0.2811 -0.1602 -0.0084 0.0363 569 HOH A O 6420 O O . HOH T . ? 0.3680 0.2714 0.4610 0.0375 -0.0098 -0.0219 570 HOH A O 6421 O O . HOH T . ? 0.2266 0.2777 0.2543 -0.0448 0.0266 0.0154 571 HOH A O 6422 O O . HOH T . ? 0.2146 0.2531 0.3577 -0.0740 0.0376 -0.0043 572 HOH A O 6423 O O . HOH T . ? 0.3602 0.4202 0.6339 -0.1793 0.1628 -0.0285 573 HOH A O 6424 O O . HOH T . ? 0.2696 0.4269 0.2063 0.0545 0.0771 -0.0887 574 HOH A O 6425 O O . HOH T . ? 0.2598 0.2473 0.3538 0.0593 0.0185 0.0366 575 HOH A O 6426 O O . HOH T . ? 0.4953 0.4720 0.5995 0.2284 -0.1003 -0.0916 576 HOH A O 6427 O O . HOH T . ? 0.3264 0.1994 0.2734 -0.0902 -0.0452 0.0033 577 HOH A O 6428 O O . HOH T . ? 0.2539 0.1860 0.2282 0.0883 -0.0308 -0.0042 578 HOH A O 6429 O O . HOH T . ? 0.3788 0.5290 0.4693 -0.0214 0.0899 0.0754 579 HOH A O 6430 O O . HOH T . ? 0.2741 0.3170 0.2343 0.0159 -0.0931 -0.0334 580 HOH A O 6431 O O . HOH T . ? 0.1585 0.3040 0.2507 -0.0388 0.0417 0.0779 581 HOH A O 6432 O O . HOH T . ? 0.2666 0.2820 0.2123 -0.1280 -0.0193 -0.0289 582 HOH A O 6433 O O . HOH T . ? 0.3650 0.4250 0.7439 -0.1627 0.0624 0.0106 583 HOH A O 6434 O O . HOH T . ? 0.3352 0.3961 0.4113 0.0816 -0.0570 0.2108 584 HOH A O 6435 O O . HOH T . ? 0.2333 0.2409 0.5406 0.0497 -0.0150 -0.0171 585 HOH A O 6436 O O . HOH T . ? 0.2394 0.4844 0.4771 -0.1782 0.0471 -0.1721 586 HOH A O 6437 O O . HOH T . ? 0.3351 0.2353 0.3831 0.0319 -0.0943 -0.1304 587 HOH A O 6438 O O . HOH T . ? 0.3520 0.2447 0.2209 -0.0725 -0.0488 0.0118 588 HOH A O 6439 O O . HOH T . ? 0.2292 0.4485 0.5314 -0.0839 0.0843 0.0276 589 HOH A O 6440 O O . HOH T . ? 0.4562 0.4806 0.3273 0.0668 0.0107 0.0003 590 HOH A O 6441 O O . HOH T . ? 0.4925 0.5240 0.3890 0.1683 -0.1140 0.1655 591 HOH A O 6442 O O . HOH T . ? 0.3130 0.3328 0.2285 0.0327 -0.0902 0.0014 592 HOH A O 6443 O O . HOH T . ? 0.5210 0.6097 0.4827 0.0076 -0.2922 0.0931 593 HOH A O 6444 O O . HOH T . ? 0.7046 0.3937 0.3781 0.1443 0.1700 0.0778 594 HOH A O 6445 O O . HOH T . ? 0.5144 0.5963 0.4946 -0.0485 -0.1315 -0.0923 595 HOH A O 6446 O O . HOH T . ? 0.2868 0.4057 0.3070 -0.0024 0.0649 0.0892 596 HOH A O 6447 O O . HOH T . ? 0.2717 0.3010 0.2618 -0.0894 -0.0457 0.0410 597 HOH A O 6448 O O . HOH T . ? 0.4543 0.5097 0.5513 -0.1798 -0.0645 -0.0847 598 HOH A O 6449 O O . HOH T . ? 0.5055 0.6075 0.3825 0.1222 -0.0826 -0.1172 599 HOH A O 6450 O O . HOH T . ? 0.1943 0.2358 0.3679 -0.0216 0.0312 -0.0205 600 HOH A O 6451 O O . HOH T . ? 0.5284 0.5126 0.5973 -0.0664 0.0752 0.0211 602 HOH A O 6452 O O . HOH T . ? 0.3759 0.2780 0.1879 -0.0522 -0.0069 0.0093 603 HOH A O 6453 O O . HOH T . ? 0.3626 0.2893 0.2005 0.1222 -0.0104 -0.0319 604 HOH A O 6454 O O . HOH T . ? 0.3475 0.5840 0.5094 -0.2823 -0.0851 0.1061 605 HOH A O 6455 O O . HOH T . ? 0.6294 0.7266 0.5186 -0.0350 -0.1220 -0.0186 606 HOH A O 6456 O O . HOH T . ? 0.5642 0.4871 0.4599 -0.1177 -0.0360 -0.1408 607 HOH A O 6457 O O . HOH T . ? 0.2231 0.2174 0.2224 -0.0119 0.0378 0.0005 608 HOH A O 6458 O O . HOH T . ? 0.3211 0.2845 0.4466 -0.0159 -0.1810 0.0985 609 HOH A O 6459 O O . HOH T . ? 0.4243 0.3358 0.5416 0.0870 -0.0814 -0.1003 610 HOH A O 6460 O O . HOH T . ? 0.4219 0.5594 0.6166 0.2695 0.1600 0.1335 611 HOH A O 6461 O O . HOH T . ? 0.1665 0.2180 0.4888 0.0421 -0.1321 -0.1500 612 HOH A O 6462 O O . HOH T . ? 0.4433 0.5883 0.3808 -0.0972 0.0713 0.1516 613 HOH A O 6463 O O . HOH T . ? 0.3600 0.4900 0.5974 -0.0857 0.1076 0.1243 614 HOH A O 6464 O O . HOH T . ? 0.5983 0.5023 0.5393 0.0699 0.2752 -0.0705 615 HOH A O 6465 O O . HOH T . ? 0.2545 0.3555 0.1911 0.0651 0.0051 -0.0576 616 HOH A O 6466 O O . HOH T . ? 0.4033 0.3545 0.1962 0.0312 -0.0762 0.0030 617 HOH A O 6467 O O . HOH T . ? 0.2208 0.3013 0.4292 -0.0390 -0.0730 0.0346 618 HOH A O 6468 O O . HOH T . ? 0.4190 0.4983 0.5102 0.0742 0.0381 0.2442 619 HOH A O 6469 O O . HOH T . ? 0.3378 0.2672 0.1315 0.0673 0.0227 0.0457 620 HOH A O 6470 O O . HOH T . ? 0.2783 0.2174 0.3810 0.1173 -0.0169 0.0202 621 HOH A O 6471 O O . HOH T . ? 0.3701 0.6571 0.6652 0.0694 -0.0399 -0.0033 622 HOH A O 6472 O O . HOH T . ? 0.4738 0.3046 0.2515 0.1856 -0.1381 0.0003 623 HOH A O 6473 O O . HOH T . ? 0.2467 0.4816 0.2796 -0.0233 0.0016 -0.0165 624 HOH A O 6474 O O . HOH T . ? 0.2934 0.3893 0.2257 -0.0802 0.0417 0.0993 625 HOH A O 6475 O O . HOH T . ? 0.6516 0.5425 0.6345 0.0654 0.1294 0.1913 626 HOH A O 6476 O O . HOH T . ? 0.5137 0.6796 0.6431 0.1632 -0.1847 0.0269 627 HOH A O 6477 O O . HOH T . ? 0.3588 0.3400 0.2586 0.0748 -0.0169 -0.0329 628 HOH A O 6478 O O . HOH T . ? 0.3323 0.1600 0.4671 0.0185 -0.0952 0.0580 629 HOH A O 6479 O O . HOH T . ? 0.4555 0.4281 0.3030 -0.1072 0.1106 -0.0405 630 HOH A O 6480 O O . HOH T . ? 0.3799 0.2248 0.4708 -0.0010 -0.1919 0.0879 631 HOH A O 6481 O O . HOH T . ? 0.4111 0.3428 0.2213 -0.0920 -0.0829 -0.0146 632 HOH A O 6482 O O . HOH T . ? 0.3397 0.2395 0.1969 -0.0357 -0.0860 -0.0190 633 HOH A O 6483 O O . HOH T . ? 0.3739 0.1718 0.4396 -0.0322 -0.1930 0.0086 634 HOH A O 6484 O O . HOH T . ? 0.4106 0.4769 0.7108 0.1607 0.0590 0.2016 635 HOH A O 6485 O O . HOH T . ? 0.3290 0.2463 0.3112 -0.1044 0.0102 -0.0416 636 HOH A O 6486 O O . HOH T . ? 0.3568 0.3413 0.2516 -0.0938 0.0944 -0.0423 637 HOH A O 6487 O O . HOH T . ? 0.4448 0.4101 0.5881 0.1621 0.0433 -0.0112 638 HOH A O 6488 O O . HOH T . ? 0.3914 0.2558 0.3180 -0.0548 0.0532 -0.0274 639 HOH A O 6489 O O . HOH T . ? 0.3672 0.3399 0.2521 -0.0297 -0.0332 0.1008 640 HOH A O 6490 O O . HOH T . ? 0.5702 0.4478 0.3702 0.1544 0.1704 0.1396 641 HOH A O 6491 O O . HOH T . ? 0.2013 0.2624 0.2902 0.0142 0.0167 -0.0312 642 HOH A O 6492 O O . HOH T . ? 0.1354 0.2501 0.3498 0.0201 0.0172 0.0383 643 HOH A O 6493 O O . HOH T . ? 0.5331 0.3335 0.5997 -0.0439 0.1765 0.1955 644 HOH A O 6494 O O . HOH T . ? 0.4137 0.5032 0.4812 -0.0357 -0.0009 0.2129 645 HOH A O 6495 O O . HOH T . ? 0.2081 0.2661 0.3808 -0.0211 -0.0223 -0.0559 646 HOH A O 6496 O O . HOH T . ? 0.3706 0.5196 0.5164 -0.2032 -0.0691 0.2334 647 HOH A O 6497 O O . HOH T . ? 0.4148 0.2153 0.3296 0.0583 -0.1399 -0.1317 648 HOH A O 6498 O O . HOH T . ? 0.4077 0.3507 0.5212 -0.0730 0.0938 0.1803 649 HOH A O 6499 O O . HOH T . ? 0.2970 0.2738 0.5172 -0.0093 0.1140 -0.0413 650 HOH A O 6500 O O . HOH T . ? 0.4045 0.3997 0.2772 -0.2669 0.0377 0.0503 651 HOH A O 6501 O O . HOH T . ? 0.5279 0.5510 0.5558 -0.1342 0.1057 0.0903 652 HOH A O 6502 O O . HOH T . ? 0.2861 0.4031 0.4549 -0.1428 0.0258 0.0945 653 HOH A O 6503 O O . HOH T . ? 0.6285 0.4613 0.5404 -0.1237 0.1316 0.1814 654 HOH A O 6504 O O . HOH T . ? 0.1920 0.3892 0.4306 -0.0293 -0.0682 0.0773 655 HOH A O 6505 O O . HOH T . ? 0.3705 0.5533 0.3522 -0.2917 -0.0539 0.0790 656 HOH A O 6506 O O . HOH T . ? 0.4440 0.2108 0.2543 -0.0706 0.0202 -0.0177 657 HOH A O 6507 O O . HOH T . ? 0.5612 0.3016 0.6617 -0.0870 0.0140 0.0687 658 HOH A O 6508 O O . HOH T . ? 0.5360 0.4494 0.5333 0.0860 0.0945 -0.1256 659 HOH A O 6509 O O . HOH T . ? 0.3018 0.3598 0.3654 -0.0763 -0.0054 -0.0259 660 HOH A O 6510 O O . HOH T . ? 0.3947 0.2861 0.3146 -0.0324 0.1093 0.0241 661 HOH A O 6511 O O . HOH T . ? 0.2902 0.2310 0.5428 -0.0135 -0.0376 -0.0597 662 HOH A O 6512 O O . HOH T . ? 0.6309 0.3977 0.6049 0.2088 -0.0273 0.1201 663 HOH A O 6513 O O . HOH T . ? 0.3430 0.2629 0.4368 -0.1015 -0.1950 0.1164 664 HOH A O 6514 O O . HOH T . ? 0.3056 0.3103 0.3931 0.0187 -0.1415 0.0259 665 HOH A O 6515 O O . HOH T . ? 0.3295 0.3444 0.5073 -0.0646 -0.0271 0.0917 666 HOH A O 6516 O O . HOH T . ? 0.4175 0.4943 0.5681 0.0592 -0.1719 -0.2372 667 HOH A O 6517 O O . HOH T . ? 0.2750 0.3074 0.5084 0.0524 0.0403 0.0417 668 HOH A O 6518 O O . HOH T . ? 0.4081 0.4599 0.5209 0.1611 0.0222 0.0873 669 HOH A O 6519 O O . HOH T . ? 0.1483 0.1963 0.5467 -0.0485 -0.0436 -0.0901 670 HOH A O 6520 O O . HOH T . ? 0.2248 0.3312 0.5410 -0.0881 0.0015 -0.0124 671 HOH A O 6521 O O . HOH T . ? 0.6357 0.4341 0.3209 0.2617 0.0964 0.1206 672 HOH A O 6522 O O . HOH T . ? 0.2626 0.4494 0.2439 -0.0377 -0.0488 0.0373 673 HOH A O 6523 O O . HOH T . ? 0.4319 0.2490 0.5848 0.0497 -0.2146 -0.1557 674 HOH A O 6524 O O . HOH T . ? 0.4677 0.2919 0.2480 -0.0456 -0.0470 -0.0760 675 HOH A O 6525 O O . HOH T . ? 0.4101 0.2922 0.4022 0.0311 0.1383 0.0450 676 HOH A O 6526 O O . HOH T . ? 0.5649 0.5160 0.4258 0.0108 0.0446 0.1288 677 HOH A O 6527 O O . HOH T . ? 0.5607 0.2552 0.5255 -0.0155 -0.1711 -0.1444 678 HOH A O 6528 O O . HOH T . ? 0.3939 0.2673 0.5968 -0.0277 0.0059 -0.1422 679 HOH A O 6529 O O . HOH T . ? 0.5137 0.5097 0.4030 -0.0291 -0.0342 -0.0558 680 HOH A O 6530 O O . HOH T . ? 0.4505 0.1832 0.3479 0.0008 -0.0651 -0.0628 681 HOH A O 6531 O O . HOH T . ? 0.2088 0.3771 0.3767 -0.1180 0.1147 -0.0057 682 HOH A O 6532 O O . HOH T . ? 0.5319 0.4117 0.3032 -0.0101 0.1352 0.0369 683 HOH A O 6533 O O . HOH T . ? 0.2334 0.3400 0.4447 -0.0400 -0.0320 -0.0508 684 HOH A O 6534 O O . HOH T . ? 0.4118 0.2762 0.5488 0.1572 0.1220 0.0771 685 HOH A O 6535 O O . HOH T . ? 0.3750 0.6152 0.4123 -0.1182 0.0481 -0.0198 686 HOH A O 6536 O O . HOH T . ? 0.4592 0.4785 0.3702 -0.0777 0.0240 0.0734 687 HOH A O 6537 O O . HOH T . ? 0.3377 0.3205 0.3532 0.0083 -0.0625 0.0918 688 HOH A O 6538 O O . HOH T . ? 0.5997 0.5992 0.5253 0.0780 -0.0177 -0.0708 689 HOH A O 6539 O O . HOH T . ? 0.3492 0.5171 0.5093 -0.0694 0.0215 0.1235 690 HOH A O 6540 O O . HOH T . ? 0.6213 0.2400 0.2261 -0.1434 -0.0957 0.0672 691 HOH A O 6541 O O . HOH T . ? 0.2328 0.3913 0.4751 -0.1134 0.0490 -0.1262 692 HOH A O 6542 O O . HOH T . ? 0.5341 0.7248 0.5047 0.1453 -0.0826 -0.0874 693 HOH A O 6543 O O . HOH T . ? 0.4185 0.2893 0.3146 0.0445 0.0213 -0.1383 694 HOH A O 6544 O O . HOH T . ? 0.5496 0.5608 0.6943 -0.0627 -0.0002 -0.1521 695 HOH A O 6545 O O . HOH T . ? 0.3699 0.5986 0.3104 0.0936 -0.0203 -0.0355 696 HOH A O 6546 O O . HOH T . ? 0.8205 0.4021 0.1916 0.2544 -0.1990 -0.0356 697 HOH A O 6547 O O . HOH T . ? 0.5320 0.5040 0.2872 -0.1053 -0.0865 0.0097 698 HOH A O 6548 O O . HOH T . ? 0.4143 0.6032 0.5254 0.0945 0.0307 -0.1640 699 HOH A O 6549 O O . HOH T . ? 0.5345 0.5530 0.2096 -0.0811 0.0395 -0.0645 700 HOH A O 6550 O O . HOH T . ? 0.5372 0.6555 0.4521 0.0052 -0.0391 -0.0047 701 HOH A O 6551 O O . HOH T . ? 0.5569 0.2964 0.4932 0.0120 -0.0569 -0.0789 702 HOH A O 6552 O O . HOH T . ? 0.4274 0.5498 0.5253 0.0612 -0.0187 -0.0194 703 HOH A O 6553 O O . HOH T . ? 0.2657 0.6855 0.3865 -0.1641 -0.0478 0.3192 704 HOH A O 6554 O O . HOH T . ? 0.3180 0.4141 0.6041 -0.1031 -0.2368 0.2290 705 HOH A O 6555 O O . HOH T . ? 0.5495 0.1545 0.3034 -0.0952 -0.0364 0.0303 706 HOH A O 6556 O O . HOH T . ? 0.3869 0.3006 0.2343 -0.0238 0.0151 -0.0990 707 HOH A O 6557 O O . HOH T . ? 0.4624 0.3331 0.6445 0.1654 0.0918 -0.0256 708 HOH A O 6558 O O . HOH T . ? 0.4905 0.5489 0.2234 0.2546 -0.0375 -0.0951 709 HOH A O 6559 O O . HOH T . ? 0.5772 0.2673 0.3293 0.0760 -0.0517 0.0985 710 HOH A O 6560 O O . HOH T . ? 0.6017 0.2904 0.3129 -0.1010 -0.1302 0.1530 711 HOH A O 6561 O O . HOH T . ? 0.3503 0.3821 0.4815 0.0604 0.1737 0.2139 712 HOH A O 6562 O O . HOH T . ? 0.4851 0.5243 0.2861 0.1884 0.1778 0.0945 713 HOH A O 6563 O O . HOH T . ? 0.3517 0.3617 0.5659 -0.0280 0.1299 -0.0202 714 HOH A O 6564 O O . HOH T . ? 0.5931 0.5022 0.6633 -0.0357 0.0605 0.0534 715 HOH A O 6565 O O . HOH T . ? 0.3662 0.5447 0.6401 -0.0822 0.0463 -0.1092 716 HOH A O 6566 O O . HOH T . ? 0.4417 0.4016 0.6070 -0.0574 0.0660 -0.0904 717 HOH A O 6567 O O . HOH T . ? 0.4221 0.3314 0.2466 -0.0398 -0.0406 0.0269 718 HOH A O 6568 O O . HOH T . ? 0.5243 0.5724 0.6864 0.1375 -0.1203 -0.1353 719 HOH A O 6569 O O . HOH T . ? 0.4078 0.5769 0.4683 -0.1541 -0.1131 -0.0529 720 HOH A O 6570 O O . HOH T . ? 0.5489 0.4398 0.2815 -0.0622 0.0454 -0.1017 721 HOH A O 6571 O O . HOH T . ? 0.3756 0.3459 0.4779 -0.0620 0.1796 -0.0423 722 HOH A O 6572 O O . HOH T . ? 0.7184 0.5593 0.3925 0.0425 0.1310 -0.2109 723 HOH A O 6573 O O . HOH T . ? 0.3014 0.4092 0.3711 -0.0360 -0.0473 0.0285 724 HOH A O 6574 O O . HOH T . ? 0.5406 0.2947 0.2537 -0.0509 0.0005 -0.0957 725 HOH A O 6575 O O . HOH T . ? 0.6047 0.4271 0.4725 -0.0959 -0.2115 -0.0041 726 HOH A O 6576 O O . HOH T . ? 0.7278 0.3540 0.2581 0.2482 -0.0953 -0.0188 727 HOH A O 6577 O O . HOH T . ? 0.3412 0.2353 0.5259 -0.0941 -0.1147 0.0493 728 HOH A O 6578 O O . HOH T . ? 0.3264 0.3329 0.3417 -0.0779 -0.0164 0.0279 729 HOH A O 6579 O O . HOH T . ? 0.3438 0.2977 0.5250 -0.1013 0.0837 0.0425 730 HOH A O 6580 O O . HOH T . ? 0.2747 0.3894 0.3401 0.0042 0.0088 -0.1316 731 HOH A O 6581 O O . HOH T . ? 0.4652 0.6828 0.4721 0.0194 -0.1015 0.0919 732 HOH A O 6582 O O . HOH T . ? 0.6248 0.4220 0.5819 -0.0923 0.2675 0.1066 733 HOH A O 6583 O O . HOH T . ? 0.2881 0.3317 0.3408 -0.0932 -0.0563 0.0294 734 HOH A O 6584 O O . HOH T . ? 0.4626 0.3927 0.5841 0.0811 -0.3451 -0.1389 735 HOH A O 6585 O O . HOH T . ? 0.4181 0.5748 0.5495 -0.0333 0.0178 0.0393 736 HOH A O 6586 O O . HOH T . ? 0.5231 0.4873 0.5131 -0.0504 -0.1141 0.0813 737 HOH A O 6587 O O . HOH T . ? 0.4393 0.2756 0.4055 0.1469 -0.0238 -0.0247 738 HOH A O 6588 O O . HOH T . ? 0.4318 0.2905 0.7068 -0.0755 -0.0128 -0.0832 739 HOH A O 6589 O O . HOH T . ? 0.5391 0.6637 0.3276 -0.0913 -0.0549 -0.1274 740 HOH A O 6590 O O . HOH T . ? 0.4763 0.2101 0.5354 0.0650 0.1435 0.0241 741 HOH A O 6591 O O . HOH T . ? 0.2981 0.3067 0.6022 -0.1020 -0.1036 0.0505 742 HOH A O 6592 O O . HOH T . ? 0.7941 0.5450 0.2606 -0.1344 0.1833 -0.0980 743 HOH A O 6593 O O . HOH T . ? 0.2469 0.4678 0.6061 -0.0111 0.0562 0.0292 744 HOH A O 6594 O O . HOH T . ? 0.4927 0.5528 0.3710 0.1012 -0.1342 -0.1470 745 HOH A O 6595 O O . HOH T . ? 0.2803 0.2321 0.6121 -0.0479 -0.1767 0.0817 746 HOH A O 6596 O O . HOH T . ? 0.6644 0.5861 0.3314 -0.1013 0.0500 -0.0155 747 HOH A O 6597 O O . HOH T . ? 0.4587 0.4499 0.4546 0.0145 -0.0355 -0.1018 748 HOH A O 6598 O O . HOH T . ? 0.6193 0.5459 0.6173 0.0355 0.0965 -0.0187 749 HOH A O 6599 O O . HOH T . ? 0.5126 0.2987 0.4966 0.0001 0.0560 0.1166 750 HOH A O 6600 O O . HOH T . ? 0.3812 0.4708 0.6554 -0.0885 -0.0240 -0.2259 751 HOH A O 6601 O O . HOH T . ? 0.5177 0.7073 0.4282 -0.1248 -0.0107 -0.0516 752 HOH A O 6602 O O . HOH T . ? 0.2855 0.5049 0.3259 0.0493 0.0391 0.0053 753 HOH A O 6603 O O . HOH T . ? 0.5402 0.5769 0.5835 0.1284 0.0024 0.0120 754 HOH A O 6604 O O . HOH T . ? 0.6327 0.5977 0.3460 -0.1175 -0.0488 -0.1797 755 HOH A O 6605 O O . HOH T . ? 0.3441 0.4808 0.3408 -0.0438 0.0533 0.1073 756 HOH A O 6606 O O . HOH T . ? 0.5998 0.5533 0.5162 0.0482 -0.1015 0.0204 757 HOH A O 6607 O O . HOH T . ? 0.2979 0.5435 0.6287 -0.0864 -0.1180 0.2433 758 HOH A O 6608 O O . HOH T . ? 0.4507 0.6235 0.6705 0.1450 -0.0028 -0.1251 759 HOH A O 6609 O O . HOH T . ? 0.3787 0.2497 0.3198 0.0059 -0.1369 -0.0029 760 HOH A O 6610 O O . HOH T . ? 0.6489 0.3022 0.7603 0.0070 -0.0801 -0.3164 761 HOH A O 6611 O O . HOH T . ? 0.2498 0.3165 0.3349 0.0133 -0.0135 -0.0522 762 HOH A O 6612 O O . HOH T . ? 0.3083 0.3185 0.3671 0.0746 -0.0632 -0.0865 763 HOH A O 6613 O O . HOH T . ? 0.3457 0.4359 0.7126 -0.1437 0.0275 0.0204 764 HOH A O 6614 O O . HOH T . ? 0.6304 0.6295 0.6405 -0.0287 -0.0367 -0.0958 765 HOH A O 6615 O O . HOH T . ? 0.5257 0.6773 0.4061 -0.1300 -0.0953 0.1249 766 HOH A O 6616 O O . HOH T . ? 0.5898 0.5270 0.5502 0.0778 -0.0467 -0.0141 767 HOH A O 6617 O O . HOH T . ? 0.2176 0.5757 0.2552 -0.0225 -0.0549 0.0793 768 HOH A O 6618 O O . HOH T . ? 0.3907 0.3719 0.2960 -0.1609 0.0915 -0.0231 769 HOH A O 6619 O O . HOH T . ? 0.4285 0.3310 0.6161 -0.0715 -0.0142 -0.0012 770 HOH A O 6620 O O . HOH T . ? 0.6157 0.5673 0.6891 0.2050 0.1310 -0.1532 771 HOH A O 6621 O O . HOH T . ? 0.4410 0.3818 0.5235 -0.0535 0.2590 -0.0417 772 HOH A O 6622 O O . HOH T . ? 0.6805 0.5772 0.4279 0.1291 0.1205 -0.0250 773 HOH A O 6623 O O . HOH T . ? 0.5034 0.6360 0.6290 0.1882 -0.0055 -0.0848 774 HOH A O 6624 O O . HOH T . ? 0.6705 0.5009 0.4539 -0.0176 0.1131 0.0011 775 HOH A O 6625 O O . HOH T . ? 0.5489 0.5414 0.4530 0.0814 -0.1545 0.1864 776 HOH A O 6626 O O . HOH T . ? 0.5993 0.4762 0.5062 0.0801 0.0438 -0.1301 777 HOH A O 6627 O O . HOH T . ? 0.3791 0.2492 0.2506 0.0467 -0.0053 0.0108 778 HOH A O 6628 O O . HOH T . ? 0.4043 0.4156 0.6069 -0.2391 -0.1017 -0.0150 779 HOH A O 6629 O O . HOH T . ? 0.4298 0.6220 0.5309 0.1871 0.0055 0.0434 780 HOH A O 6630 O O . HOH T . ? 0.4254 0.5801 0.5304 -0.0576 0.0521 -0.0536 781 HOH A O 6631 O O . HOH T . ? 0.5667 0.6345 0.5367 0.0289 -0.0763 0.0533 782 HOH A O 6632 O O . HOH T . ? 0.5012 0.2630 0.6344 -0.0627 -0.0174 0.0593 783 HOH A O 6633 O O . HOH T . ? 0.6304 0.3789 0.2836 -0.2057 -0.0933 -0.0056 784 HOH A O 6634 O O . HOH T . ? 0.4801 0.4118 0.4849 0.1282 0.1620 0.0197 785 HOH A O 6635 O O . HOH T . ? 0.2963 0.5309 0.4951 0.0475 0.0046 -0.0759 786 HOH A O 6636 O O . HOH T . ? 0.5777 0.3643 0.3328 0.0472 0.1591 -0.0517 787 HOH A O 6637 O O . HOH T . ? 0.3675 0.3348 0.4036 -0.1152 -0.0423 0.0302 788 HOH A O 6638 O O . HOH T . ? 0.3288 0.5995 0.3201 0.0688 -0.0410 -0.1338 789 HOH A O 6639 O O . HOH T . ? 0.4422 0.4972 0.3688 -0.0377 -0.0278 -0.1969 790 HOH A O 6640 O O . HOH T . ? 0.4990 0.4398 0.5384 0.0047 -0.2095 0.1731 791 HOH A O 6641 O O . HOH T . ? 0.4312 0.6326 0.5909 -0.1788 -0.0536 -0.0826 792 HOH A O 6642 O O . HOH T . ? 0.5087 0.5880 0.5013 -0.1159 0.0256 -0.0398 793 HOH A O 6643 O O . HOH T . ? 0.5082 0.3404 0.3148 0.1319 -0.0704 -0.1133 794 HOH A O 6644 O O . HOH T . ? 0.3039 0.5654 0.4117 -0.1084 -0.0621 0.3154 795 HOH A O 6645 O O . HOH T . ? 0.6624 0.5173 0.4393 -0.0404 -0.1624 0.0549 796 HOH A O 6646 O O . HOH T . ? 0.5020 0.5576 0.3408 0.1483 0.1623 0.0619 797 HOH A O 6647 O O . HOH T . ? 0.5894 0.4336 0.5458 -0.3296 -0.0004 -0.0661 798 HOH A O 6648 O O . HOH T . ? 0.3811 0.2861 0.7291 0.0185 0.1975 -0.0925 799 HOH A O 6649 O O . HOH T . ? 0.7322 0.4799 0.2629 -0.2635 0.0560 0.0518 800 HOH A O 6650 O O . HOH T . ? 0.6008 0.4687 0.5836 -0.0455 -0.0034 -0.0201 806 HOH A O 6651 O O . HOH T . ? 0.4499 0.3704 0.3972 -0.0593 -0.0892 -0.1128 807 HOH A O 6652 O O . HOH T . ? 0.3505 0.7167 0.3244 -0.1223 -0.0225 -0.0317 808 HOH A O 6653 O O . HOH T . ? 0.3879 0.5587 0.4845 0.1662 0.0407 0.0557 809 HOH A O 6654 O O . HOH T . ? 0.2921 0.5180 0.5274 -0.0403 -0.0672 -0.0041 810 HOH A O 6655 O O . HOH T . ? 0.4486 0.6379 0.6627 0.0616 0.1694 -0.0992 811 HOH A O 6656 O O . HOH T . ? 0.5622 0.5690 0.4300 -0.0230 0.0401 -0.1977 812 HOH A O 6657 O O . HOH T . ? 0.5441 0.4667 0.6394 -0.0906 0.0696 0.0930 813 HOH A O 6658 O O . HOH T . ? 0.5221 0.6839 0.6515 0.0314 -0.0925 -0.1117 814 HOH A O 6659 O O . HOH T . ? 0.7038 0.6207 0.6809 -0.0326 0.0183 -0.0338 815 HOH A O 6660 O O . HOH T . ? 0.3663 0.3551 0.5728 -0.0035 0.0674 -0.1133 816 HOH A O 6661 O O . HOH T . ? 0.5507 0.3820 0.6691 -0.1222 -0.0598 -0.0477 817 HOH A O 6662 O O . HOH T . ? 0.2693 0.4408 0.2263 -0.0334 -0.0077 0.0159 818 HOH A O 6663 O O . HOH T . ? 0.3540 0.4264 0.3362 0.1207 -0.0971 -0.1355 819 HOH A O 6664 O O . HOH T . ? 0.5304 0.5518 0.5117 0.2059 0.0975 -0.1469 820 HOH A O 6665 O O . HOH T . ? 0.4024 0.7733 0.5013 -0.0318 -0.2119 -0.0601 821 HOH A O 6666 O O . HOH T . ? 0.4481 0.6891 0.4993 0.1966 0.1621 -0.1023 822 HOH A O 6667 O O . HOH T . ? 0.3312 0.6338 0.4212 0.2208 -0.0636 -0.0791 823 HOH A O 6668 O O . HOH T . ? 0.4823 0.5810 0.6908 -0.0634 -0.1093 0.0146 824 HOH A O 6669 O O . HOH T . ? 0.5118 0.6359 0.6057 -0.1293 -0.1604 0.0414 825 HOH A O 6670 O O . HOH T . ? 0.3931 0.3931 0.2242 0.0000 0.0000 0.0000 826 HOH A O 6671 O O . HOH T . ? 0.2377 0.5629 0.2483 0.0613 -0.0810 0.0356 827 HOH A O 6672 O O . HOH T . ? 0.3134 0.4803 0.6173 -0.0903 0.1667 0.1250 828 HOH A O 6673 O O . HOH T . ? 0.4791 0.3709 0.4804 -0.1464 -0.1692 0.0730 829 HOH A O 6674 O O . HOH T . ? 0.6645 0.6595 0.4479 -0.0600 -0.2153 -0.1932 830 HOH A O 6675 O O . HOH T . ? 0.4050 0.4900 0.4878 0.0200 0.1144 -0.1358 831 HOH A O 6676 O O . HOH T . ? 0.6763 0.4602 0.6341 0.0040 0.0544 0.0590 832 HOH A O 6677 O O . HOH T . ? 0.5346 0.5501 0.4875 -0.0138 -0.1491 0.0664 833 HOH A O 6678 O O . HOH T . ? 0.4902 0.4129 0.5407 0.0480 0.1026 -0.0650 834 HOH A O 6679 O O . HOH T . ? 0.4604 0.4244 0.4895 -0.0480 -0.1198 -0.0704 835 HOH A O 6680 O O . HOH T . ? 0.6273 0.6870 0.5949 0.0801 0.1664 0.0547 836 HOH A O 6681 O O . HOH T . ? 0.3539 0.5702 0.7710 0.1018 -0.0288 0.0429 838 HOH A O 6682 O O . HOH T . ? 0.4567 0.6812 0.4641 -0.1206 0.0345 -0.0011 840 HOH A O 6683 O O . HOH T . ? 0.3904 0.6590 0.5183 -0.1778 -0.2061 -0.0506 841 HOH A O 6684 O O . HOH T . ? 0.6940 0.6115 0.5196 0.1058 -0.1065 -0.0158 842 HOH A O 6685 O O . HOH T . ? 0.4857 0.4513 0.6407 -0.2295 0.0236 -0.0328 843 HOH A O 6686 O O . HOH T . ? 0.5223 0.5428 0.5017 -0.0441 -0.2148 0.0080 847 HOH A O 6687 O O . HOH T . ? 0.6140 0.4640 0.6448 0.0393 -0.1284 -0.0205 848 HOH A O 6688 O O . HOH T . ? 0.6317 0.5547 0.6019 -0.1499 0.0821 0.2318 849 HOH A O 6689 O O . HOH T . ? 0.4151 0.6288 0.4569 0.0245 -0.0307 0.2100 851 HOH A O 6690 O O . HOH T . ? 0.4718 0.6283 0.6775 -0.0747 0.0059 0.1017 854 HOH A O 6691 O O . HOH T . ? 0.6088 0.3554 0.5521 0.0047 -0.1423 -0.1104 855 HOH A O 6692 O O . HOH T . ? 0.6444 0.7479 0.2867 -0.0494 0.0313 -0.2633 857 HOH A O 6693 O O . HOH T . ? 0.6160 0.7193 0.3983 -0.0982 0.2434 0.0468 858 HOH A O 6694 O O . HOH T . ? 0.6330 0.5549 0.4641 0.1614 0.0211 -0.2210 860 HOH A O 6695 O O . HOH T . ? 0.5870 0.5429 0.6099 -0.1669 0.0287 -0.2454 861 HOH A O 6696 O O . HOH T . ? 0.6157 0.6908 0.4930 0.0111 -0.0758 -0.0639 863 HOH A O 6697 O O . HOH T . ? 0.6709 0.5993 0.6143 -0.0430 -0.0798 0.0794 865 HOH A O 6698 O O . HOH T . ? 0.6395 0.7240 0.3432 -0.0556 0.1470 -0.0151 868 HOH A O 6699 O O . HOH T . ? 0.4576 0.6269 0.6224 -0.1653 0.1110 0.0232 872 HOH A O 6700 O O . HOH T . ? 0.4740 0.7580 0.5166 -0.0108 0.2402 -0.1089 875 HOH A O 6701 O O . HOH T . ? 0.5709 0.6433 0.3356 0.0738 -0.0565 -0.0153 876 HOH A O 6702 O O . HOH T . ? 0.6541 0.6749 0.5579 -0.0171 0.0683 0.0225 877 HOH A O 6703 O O . HOH T . ? 0.6359 0.6061 0.5158 0.0248 -0.0204 -0.0756 878 HOH A O 6704 O O . HOH T . ? 0.6684 0.6365 0.4805 -0.0246 0.1858 0.0841 879 HOH A O 6705 O O . HOH T . ? 0.5160 0.6534 0.6642 0.1735 -0.0799 0.0843 881 HOH A O 6706 O O . HOH T . ? 0.5330 0.6032 0.6084 0.0652 -0.0440 -0.0833 886 HOH A O 6707 O O . HOH T . ? 0.5387 0.6762 0.6592 0.0981 0.0169 0.0051 888 HOH A O 6708 O O . HOH T . ? 0.4957 0.5305 0.6361 0.1107 0.1734 -0.0210 892 HOH A O 6709 O O . HOH T . ? 0.5760 0.7376 0.7233 0.2195 0.2726 -0.1221 893 HOH A O 6710 O O . HOH T . ? 0.6908 0.7093 0.5664 0.0892 -0.0308 -0.1775 894 HOH A O 6711 O O . HOH T . ? 0.4063 0.4053 0.3528 0.0535 -0.0029 0.0614 900 HOH A O 6712 O O . HOH T . ? 0.3864 0.6046 0.4342 0.0543 0.1745 0.0733 905 HOH A O 6713 O O . HOH T . ? 0.4406 0.5310 0.5399 0.2516 -0.2071 -0.1626 906 HOH A O 6714 O O . HOH T . ? 0.5501 0.2709 0.5734 0.0290 -0.2082 0.0015 907 HOH A O 6715 O O . HOH T . ? 0.4852 0.7455 0.4424 -0.0609 0.0202 0.0463 908 HOH A O 6716 O O . HOH T . ? 0.4722 0.5535 0.4084 0.1475 0.0379 0.0599 910 HOH A O 6717 O O . HOH T . ? 0.6678 0.6964 0.6158 0.0064 0.2509 0.0903 912 HOH A O 6718 O O . HOH T . ? 0.5015 0.6227 0.5040 0.0444 0.1401 0.1763 913 HOH A O 6719 O O . HOH T . ? 0.6886 0.4864 0.5217 -0.0174 -0.0761 0.0397 914 HOH A O 6720 O O . HOH T . ? 0.6806 0.5790 0.3004 0.1271 0.0204 0.0829 915 HOH A O 6721 O O . HOH T . ? 0.6391 0.5586 0.6245 0.0263 0.0858 -0.1170 918 HOH A O 6722 O O . HOH T . ? 0.6329 0.5171 0.4960 -0.0417 0.1220 0.0752 919 HOH A O 6723 O O . HOH T . ? 0.5034 0.7035 0.5581 0.0257 -0.0094 -0.0127 920 HOH A O 6724 O O . HOH T . ? 0.5265 0.6921 0.6878 -0.1477 0.0357 0.0174 922 HOH A O 6725 O O . HOH T . ? 0.6915 0.7138 0.6993 -0.0517 -0.0682 -0.0181 924 HOH A O 6726 O O . HOH T . ? 0.5182 0.5111 0.6591 0.1768 0.0717 -0.0368 925 HOH A O 6727 O O . HOH T . ? 0.6772 0.6054 0.6495 0.1270 -0.0866 0.1134 926 HOH A O 6728 O O . HOH T . ? 0.6246 0.4124 0.5145 0.0554 -0.2515 0.1050 927 HOH A O 6729 O O . HOH T . ? 0.6068 0.6119 0.4720 -0.1563 -0.2520 -0.0012 928 HOH A O 6730 O O . HOH T . ? 0.4837 0.4582 0.7913 -0.0158 0.0652 -0.0405 929 HOH A O 6731 O O . HOH T . ? 0.5101 0.6107 0.7094 0.0668 -0.1796 0.0021 930 HOH A O 6732 O O . HOH T . ? 0.6675 0.6655 0.6494 0.0448 0.0681 0.0394 932 HOH A O 6733 O O . HOH T . ? 0.5603 0.6334 0.4984 -0.0490 -0.0897 -0.0537 934 HOH A O 6734 O O . HOH T . ? 0.5476 0.5741 0.6405 0.0926 0.1366 0.1584 935 HOH A O 6735 O O . HOH T . ? 0.7438 0.6667 0.6943 -0.0798 0.0252 -0.0055 937 HOH A O 6736 O O . HOH T . ? 0.5123 0.5094 0.5303 -0.0376 -0.0499 0.0551 938 HOH A O 6737 O O . HOH T . ? 0.6199 0.5855 0.5081 -0.0001 0.0833 0.2137 939 HOH A O 6738 O O . HOH T . ? 0.6923 0.5806 0.6384 0.0696 0.1371 0.0196 942 HOH A O 6739 O O . HOH T . ? 0.7279 0.5884 0.6140 -0.2047 -0.0804 -0.2090 943 HOH A O 6740 O O . HOH T . ? 0.6083 0.6595 0.5640 0.1558 0.0580 -0.1650 945 HOH A O 6741 O O . HOH T . ? 0.5621 0.6176 0.6700 0.0888 0.1247 -0.0613 947 HOH A O 6742 O O . HOH U . ? 0.1278 0.1531 0.1658 -0.0052 0.0150 0.0091 4 HOH B O 6743 O O . HOH U . ? 0.1932 0.1620 0.1508 -0.0430 0.0211 0.0078 6 HOH B O 6744 O O . HOH U . ? 0.1229 0.1372 0.1464 0.0146 0.0211 -0.0001 7 HOH B O 6745 O O . HOH U . ? 0.1370 0.1185 0.1333 0.0006 0.0016 -0.0028 14 HOH B O 6746 O O . HOH U . ? 0.1172 0.2135 0.1377 0.0167 -0.0027 0.0177 15 HOH B O 6747 O O . HOH U . ? 0.1338 0.1341 0.1993 0.0143 -0.0065 0.0075 17 HOH B O 6748 O O . HOH U . ? 0.1041 0.1421 0.1648 -0.0148 -0.0131 -0.0017 18 HOH B O 6749 O O . HOH U . ? 0.1845 0.1439 0.1515 0.0195 0.0278 -0.0034 22 HOH B O 6750 O O . HOH U . ? 0.1312 0.1587 0.1525 0.0049 -0.0002 -0.0162 23 HOH B O 6751 O O . HOH U . ? 0.1167 0.1592 0.1249 -0.0293 0.0318 0.0111 24 HOH B O 6752 O O . HOH U . ? 0.1792 0.1225 0.1295 -0.0299 0.0261 -0.0012 25 HOH B O 6753 O O . HOH U . ? 0.1782 0.1237 0.1316 0.0076 -0.0229 0.0215 26 HOH B O 6754 O O . HOH U . ? 0.1686 0.1431 0.1755 -0.0185 -0.0254 0.0317 29 HOH B O 6755 O O . HOH U . ? 0.1883 0.1439 0.1762 0.0036 -0.0196 -0.0057 31 HOH B O 6756 O O . HOH U . ? 0.1384 0.1309 0.1684 0.0074 0.0167 0.0237 33 HOH B O 6757 O O . HOH U . ? 0.1508 0.1514 0.2384 -0.0073 0.0170 -0.0175 34 HOH B O 6758 O O . HOH U . ? 0.1327 0.2004 0.1318 -0.0282 -0.0186 -0.0073 36 HOH B O 6759 O O . HOH U . ? 0.1482 0.1406 0.1552 0.0079 -0.0044 0.0156 37 HOH B O 6760 O O . HOH U . ? 0.1085 0.1846 0.2293 -0.0307 0.0068 0.0066 38 HOH B O 6761 O O . HOH U . ? 0.2160 0.1752 0.1551 -0.0332 -0.0305 0.0044 41 HOH B O 6762 O O . HOH U . ? 0.1817 0.2070 0.1159 -0.0198 0.0340 -0.0028 42 HOH B O 6763 O O . HOH U . ? 0.1573 0.1889 0.1673 -0.0309 0.0435 -0.0201 44 HOH B O 6764 O O . HOH U . ? 0.1513 0.1479 0.1944 -0.0097 0.0213 0.0136 45 HOH B O 6765 O O . HOH U . ? 0.1391 0.1518 0.1824 0.0094 0.0112 0.0360 47 HOH B O 6766 O O . HOH U . ? 0.0919 0.1521 0.1251 -0.0064 -0.0164 0.0053 48 HOH B O 6767 O O . HOH U . ? 0.1519 0.1848 0.1730 -0.0033 0.0098 -0.0002 51 HOH B O 6768 O O . HOH U . ? 0.1243 0.1559 0.1674 0.0196 0.0026 -0.0122 52 HOH B O 6769 O O . HOH U . ? 0.1198 0.1595 0.1193 0.0027 -0.0052 -0.0032 61 HOH B O 6770 O O . HOH U . ? 0.1278 0.1992 0.2118 -0.0205 -0.0154 0.0073 62 HOH B O 6771 O O . HOH U . ? 0.1141 0.1369 0.1946 -0.0052 0.0383 0.0035 65 HOH B O 6772 O O . HOH U . ? 0.1610 0.1534 0.1709 -0.0434 -0.0439 0.0145 66 HOH B O 6773 O O . HOH U . ? 0.1863 0.2262 0.2019 -0.0098 -0.0069 -0.0339 67 HOH B O 6774 O O . HOH U . ? 0.1530 0.1666 0.2267 -0.0767 -0.0281 0.0339 69 HOH B O 6775 O O . HOH U . ? 0.1659 0.1702 0.1451 -0.0557 0.0224 0.0317 70 HOH B O 6776 O O . HOH U . ? 0.2469 0.2174 0.1596 -0.0074 0.0294 0.0000 71 HOH B O 6777 O O . HOH U . ? 0.2059 0.1723 0.1883 -0.0929 -0.0158 0.0228 73 HOH B O 6778 O O . HOH U . ? 0.1697 0.2190 0.2029 -0.0445 -0.0475 0.0025 76 HOH B O 6779 O O . HOH U . ? 0.2220 0.2126 0.1799 -0.0121 0.0568 -0.0359 78 HOH B O 6780 O O . HOH U . ? 0.1763 0.1597 0.1619 0.0101 0.0175 0.0022 81 HOH B O 6781 O O . HOH U . ? 0.6561 0.3621 0.3434 -0.0941 -0.1167 0.1594 473 HOH B O 6782 O O . HOH U . ? 0.1719 0.1585 0.2362 -0.0028 0.0576 -0.0137 474 HOH B O 6783 O O . HOH U . ? 0.3524 0.4235 0.4765 -0.0865 0.1234 -0.0032 475 HOH B O 6784 O O . HOH U . ? 0.1836 0.2382 0.1908 -0.0248 0.0281 0.0082 476 HOH B O 6785 O O . HOH U . ? 0.3534 0.5541 0.6042 -0.1084 0.0821 0.0819 477 HOH B O 6786 O O . HOH U . ? 0.2306 0.1216 0.1896 0.0301 -0.0004 -0.0199 478 HOH B O 6787 O O . HOH U . ? 0.2087 0.2179 0.1168 0.0091 -0.0223 0.0322 479 HOH B O 6788 O O . HOH U . ? 0.4721 0.5375 0.4854 -0.0672 -0.1707 -0.1508 480 HOH B O 6789 O O . HOH U . ? 0.4779 0.4525 0.6511 -0.1964 0.2881 -0.3167 481 HOH B O 6790 O O . HOH U . ? 0.2211 0.2678 0.1836 0.0780 -0.0255 -0.0381 482 HOH B O 6791 O O . HOH U . ? 0.2102 0.1638 0.1806 0.0178 0.0404 -0.0053 483 HOH B O 6792 O O . HOH U . ? 0.1893 0.1987 0.1771 -0.0344 -0.0322 0.0079 484 HOH B O 6793 O O . HOH U . ? 0.5053 0.2931 0.4272 -0.1120 0.1752 -0.0611 485 HOH B O 6794 O O . HOH U . ? 0.1076 0.1438 0.1913 0.0023 -0.0096 -0.0088 486 HOH B O 6795 O O . HOH U . ? 0.3072 0.5886 0.1907 -0.1063 0.0529 -0.0069 487 HOH B O 6796 O O . HOH U . ? 0.2160 0.2376 0.2662 0.0146 -0.0494 -0.0753 488 HOH B O 6797 O O . HOH U . ? 0.2588 0.5573 0.3794 0.0989 -0.0396 0.0481 489 HOH B O 6798 O O . HOH U . ? 0.5852 0.3555 0.2624 -0.0577 0.0792 -0.0415 490 HOH B O 6799 O O . HOH U . ? 0.1775 0.2063 0.1469 -0.0380 0.0216 -0.0076 491 HOH B O 6800 O O . HOH U . ? 0.1678 0.2194 0.2523 0.0096 -0.0357 -0.0410 492 HOH B O 6801 O O . HOH U . ? 0.4050 0.4347 0.3558 0.0192 -0.0180 -0.0185 493 HOH B O 6802 O O . HOH U . ? 0.1851 0.1512 0.1709 -0.0367 -0.0139 0.0299 494 HOH B O 6803 O O . HOH U . ? 0.3509 0.5808 0.5521 -0.2313 0.0829 -0.1871 495 HOH B O 6804 O O . HOH U . ? 0.2179 0.1831 0.2141 0.0129 -0.0317 0.0076 496 HOH B O 6805 O O . HOH U . ? 0.4768 0.6173 0.3776 -0.1649 0.1330 -0.2061 497 HOH B O 6806 O O . HOH U . ? 0.5482 0.3586 0.6624 0.0060 -0.1247 0.1027 498 HOH B O 6807 O O . HOH U . ? 0.1410 0.1800 0.1720 0.0006 0.0030 -0.0027 499 HOH B O 6808 O O . HOH U . ? 0.4585 0.5313 0.4622 0.2603 -0.2260 -0.1661 500 HOH B O 6809 O O . HOH U . ? 0.5937 0.5583 0.5608 0.0511 0.0307 0.0587 501 HOH B O 6810 O O . HOH U . ? 0.3249 0.5610 0.6935 0.0512 -0.0784 0.0413 502 HOH B O 6811 O O . HOH U . ? 0.2065 0.2141 0.2287 0.0233 0.0061 -0.0054 503 HOH B O 6812 O O . HOH U . ? 0.1733 0.1797 0.1542 -0.0553 0.0250 -0.0101 504 HOH B O 6813 O O . HOH U . ? 0.4627 0.4107 0.3547 -0.1333 -0.0031 0.0105 505 HOH B O 6814 O O . HOH U . ? 0.6107 0.4128 0.2558 0.0223 -0.0600 0.0069 506 HOH B O 6815 O O . HOH U . ? 0.3289 0.4433 0.3754 -0.0131 0.0298 0.0025 507 HOH B O 6816 O O . HOH U . ? 0.1251 0.2605 0.2614 0.0238 0.0349 -0.0038 508 HOH B O 6817 O O . HOH U . ? 0.5049 0.5373 0.3227 0.0316 -0.2226 -0.0318 509 HOH B O 6818 O O . HOH U . ? 0.1314 0.1965 0.2869 -0.0318 0.0016 0.0076 510 HOH B O 6819 O O . HOH U . ? 0.6423 0.2668 0.4659 0.1007 0.2389 0.0599 511 HOH B O 6820 O O . HOH U . ? 0.1670 0.2233 0.2440 -0.0145 -0.0197 -0.0242 512 HOH B O 6821 O O . HOH U . ? 0.2324 0.1947 0.2823 0.0779 0.0527 0.0446 513 HOH B O 6822 O O . HOH U . ? 0.1695 0.2369 0.1712 -0.0202 -0.0112 0.0131 514 HOH B O 6823 O O . HOH U . ? 0.2013 0.1571 0.1834 0.0116 -0.0178 -0.0025 515 HOH B O 6824 O O . HOH U . ? 0.4374 0.6778 0.4757 0.0245 -0.0102 0.0299 516 HOH B O 6825 O O . HOH U . ? 0.1766 0.2232 0.2251 0.0410 -0.0305 -0.0007 517 HOH B O 6826 O O . HOH U . ? 0.2281 0.5577 0.4049 -0.0994 -0.0400 -0.0928 518 HOH B O 6827 O O . HOH U . ? 0.2578 0.1617 0.2479 0.0553 -0.0807 -0.0481 519 HOH B O 6828 O O . HOH U . ? 0.1932 0.2757 0.3049 0.0088 0.0062 0.0536 520 HOH B O 6829 O O . HOH U . ? 0.3822 0.5674 0.3825 0.1726 -0.1723 -0.0798 521 HOH B O 6830 O O . HOH U . ? 0.2827 0.2269 0.2301 -0.0017 0.0299 0.0270 522 HOH B O 6831 O O . HOH U . ? 0.0972 0.2689 0.3054 0.0186 -0.0110 -0.0091 523 HOH B O 6832 O O . HOH U . ? 0.1966 0.2291 0.1600 0.0065 0.0377 0.0397 524 HOH B O 6833 O O . HOH U . ? 0.5287 0.3929 0.4414 -0.2133 -0.1330 0.0431 525 HOH B O 6834 O O . HOH U . ? 0.3863 0.3033 0.4768 0.1528 -0.0085 0.0160 526 HOH B O 6835 O O . HOH U . ? 0.5070 0.3344 0.4209 0.0325 0.0592 0.0455 527 HOH B O 6836 O O . HOH U . ? 0.3258 0.1393 0.2357 0.0358 0.1056 -0.0101 528 HOH B O 6837 O O . HOH U . ? 0.2196 0.3950 0.3641 -0.1862 0.0682 -0.0980 529 HOH B O 6838 O O . HOH U . ? 0.2846 0.2781 0.1845 -0.0118 0.0497 0.0635 530 HOH B O 6839 O O . HOH U . ? 0.6741 0.4688 0.4188 -0.3227 -0.1916 0.1584 531 HOH B O 6840 O O . HOH U . ? 0.4715 0.5284 0.6029 0.0267 -0.1170 -0.2381 532 HOH B O 6841 O O . HOH U . ? 0.1634 0.1432 0.2310 -0.0117 0.0315 0.0019 533 HOH B O 6842 O O . HOH U . ? 0.3881 0.2359 0.1731 0.0891 0.0665 0.0192 534 HOH B O 6843 O O . HOH U . ? 0.5189 0.7051 0.4900 -0.0767 0.1165 0.1119 535 HOH B O 6844 O O . HOH U . ? 0.3630 0.5858 0.6981 -0.0353 0.0032 0.0290 536 HOH B O 6845 O O . HOH U . ? 0.1859 0.1779 0.2565 0.0336 0.0513 0.0592 537 HOH B O 6846 O O . HOH U . ? 0.7664 0.4891 0.2761 0.1310 0.1591 -0.0185 538 HOH B O 6847 O O . HOH U . ? 0.6238 0.4806 0.3353 -0.1782 0.0329 0.0793 539 HOH B O 6848 O O . HOH U . ? 0.1710 0.3439 0.3531 -0.0257 0.0241 0.0021 540 HOH B O 6849 O O . HOH U . ? 0.3185 0.3879 0.5302 0.1542 -0.0104 -0.1437 541 HOH B O 6850 O O . HOH U . ? 0.7172 0.5798 0.5580 -0.1119 -0.0766 -0.1171 542 HOH B O 6851 O O . HOH U . ? 0.2376 0.3302 0.3146 -0.1053 -0.0873 0.0691 543 HOH B O 6852 O O . HOH U . ? 0.2201 0.2804 0.2083 -0.0089 0.0652 0.0361 544 HOH B O 6853 O O . HOH U . ? 0.2621 0.3998 0.2665 0.0734 0.0484 -0.1116 545 HOH B O 6854 O O . HOH U . ? 0.6919 0.2687 0.3857 -0.0500 -0.0826 -0.0195 546 HOH B O 6855 O O . HOH U . ? 0.2139 0.2261 0.1883 0.0145 0.0026 -0.0034 547 HOH B O 6856 O O . HOH U . ? 0.6517 0.5139 0.5533 -0.2044 -0.0739 -0.0244 548 HOH B O 6857 O O . HOH U . ? 0.2829 0.1567 0.1646 -0.0119 -0.0169 -0.0040 549 HOH B O 6858 O O . HOH U . ? 0.3592 0.4239 0.5165 -0.0661 -0.1261 -0.0372 550 HOH B O 6859 O O . HOH U . ? 0.4427 0.5431 0.5574 -0.0558 -0.0322 0.0941 551 HOH B O 6860 O O . HOH U . ? 0.3689 0.2152 0.2550 -0.0579 0.0027 -0.0386 552 HOH B O 6861 O O . HOH U . ? 0.2406 0.3496 0.2623 -0.0427 -0.0689 0.0258 553 HOH B O 6862 O O . HOH U . ? 0.1888 0.2917 0.2962 -0.0462 -0.0504 0.0540 554 HOH B O 6863 O O . HOH U . ? 0.5916 0.5617 0.6864 0.0177 -0.0704 0.1098 555 HOH B O 6864 O O . HOH U . ? 0.2743 0.4770 0.2563 -0.2442 -0.0330 -0.0606 556 HOH B O 6865 O O . HOH U . ? 0.3246 0.2653 0.1438 -0.0217 -0.0337 0.0570 557 HOH B O 6866 O O . HOH U . ? 0.5340 0.3355 0.4614 -0.0532 0.0591 0.2180 558 HOH B O 6867 O O . HOH U . ? 0.4097 0.3532 0.4400 0.1133 -0.0796 -0.1509 559 HOH B O 6868 O O . HOH U . ? 0.2485 0.5447 0.3513 -0.0101 0.0057 0.2057 560 HOH B O 6869 O O . HOH U . ? 0.2926 0.2436 0.2852 -0.0467 0.0310 0.0897 561 HOH B O 6870 O O . HOH U . ? 0.4062 0.5757 0.3728 0.1346 -0.0095 0.1696 562 HOH B O 6871 O O . HOH U . ? 0.1659 0.2350 0.2468 0.0328 0.0356 0.0132 563 HOH B O 6872 O O . HOH U . ? 0.4170 0.4889 0.7006 0.0351 -0.0018 0.1308 564 HOH B O 6873 O O . HOH U . ? 0.6469 0.6410 0.4183 -0.0486 -0.1407 -0.1322 565 HOH B O 6874 O O . HOH U . ? 0.2691 0.2958 0.1948 0.0392 -0.0246 -0.0560 566 HOH B O 6875 O O . HOH U . ? 0.5566 0.6329 0.5798 -0.1646 -0.1365 0.1427 567 HOH B O 6876 O O . HOH U . ? 0.2545 0.5246 0.4972 0.0532 -0.0343 0.0254 568 HOH B O 6877 O O . HOH U . ? 0.5355 0.4942 0.6269 0.2793 -0.0119 0.0172 569 HOH B O 6878 O O . HOH U . ? 0.2636 0.2972 0.2540 -0.0785 -0.0747 0.0313 570 HOH B O 6879 O O . HOH U . ? 0.2610 0.5866 0.6537 -0.0884 -0.0507 0.1810 571 HOH B O 6880 O O . HOH U . ? 0.5707 0.4718 0.6847 -0.0276 -0.0877 -0.2007 572 HOH B O 6881 O O . HOH U . ? 0.3005 0.4304 0.3059 0.2255 -0.0467 -0.0276 573 HOH B O 6882 O O . HOH U . ? 0.5485 0.5674 0.5497 -0.1040 0.0310 0.1200 574 HOH B O 6883 O O . HOH U . ? 0.3815 0.5388 0.3305 0.2329 0.0428 -0.0280 575 HOH B O 6884 O O . HOH U . ? 0.2745 0.2856 0.2746 0.0472 -0.0815 -0.0435 576 HOH B O 6885 O O . HOH U . ? 0.4468 0.6634 0.5765 -0.0858 -0.1174 -0.1637 577 HOH B O 6886 O O . HOH U . ? 0.3296 0.4709 0.3968 0.0267 -0.0730 0.0624 578 HOH B O 6887 O O . HOH U . ? 0.4698 0.2690 0.1361 0.1372 0.0286 -0.0061 579 HOH B O 6888 O O . HOH U . ? 0.4105 0.6024 0.5176 0.1073 0.2166 -0.0433 580 HOH B O 6889 O O . HOH U . ? 0.5424 0.4441 0.7475 -0.0915 0.1329 -0.1114 581 HOH B O 6890 O O . HOH U . ? 0.3625 0.5292 0.6073 0.0365 0.0590 0.1126 582 HOH B O 6891 O O . HOH U . ? 0.2555 0.2358 0.2807 -0.0073 0.0541 0.0133 583 HOH B O 6892 O O . HOH U . ? 0.6745 0.3744 0.2082 0.1477 -0.0729 0.0335 584 HOH B O 6893 O O . HOH U . ? 0.2870 0.3073 0.5076 0.0331 0.0261 -0.0318 585 HOH B O 6894 O O . HOH U . ? 0.5157 0.3790 0.4307 0.0492 0.0477 0.1170 586 HOH B O 6895 O O . HOH U . ? 0.4946 0.6465 0.2968 0.1486 0.0149 0.0045 587 HOH B O 6896 O O . HOH U . ? 0.4563 0.5835 0.5047 -0.0522 0.1308 0.1297 588 HOH B O 6897 O O . HOH U . ? 0.2907 0.5864 0.6906 0.0729 -0.1058 0.0685 589 HOH B O 6898 O O . HOH U . ? 0.4516 0.2608 0.1267 -0.1375 0.0360 -0.0134 590 HOH B O 6899 O O . HOH U . ? 0.2310 0.2089 0.3658 0.0933 -0.0468 0.0398 591 HOH B O 6900 O O . HOH U . ? 0.3841 0.4933 0.4453 0.1965 -0.0883 0.0198 592 HOH B O 6901 O O . HOH U . ? 0.3413 0.3234 0.1693 0.0480 0.0822 0.0057 593 HOH B O 6902 O O . HOH U . ? 0.3722 0.1908 0.2151 -0.1021 0.0781 0.0013 594 HOH B O 6903 O O . HOH U . ? 0.1834 0.3042 0.2756 -0.0518 0.0416 -0.0683 595 HOH B O 6904 O O . HOH U . ? 0.5104 0.6195 0.5705 -0.0373 0.1403 0.0901 596 HOH B O 6905 O O . HOH U . ? 0.4492 0.5764 0.4643 0.1592 -0.0347 -0.0283 597 HOH B O 6906 O O . HOH U . ? 0.2084 0.2906 0.3545 -0.0346 -0.0344 0.0497 598 HOH B O 6907 O O . HOH U . ? 0.2035 0.1922 0.4842 0.0387 0.0886 0.1325 599 HOH B O 6908 O O . HOH U . ? 0.4792 0.3383 0.4958 0.0996 0.0802 -0.0208 600 HOH B O 6909 O O . HOH U . ? 0.1147 0.4149 0.3271 -0.0508 0.0102 -0.0883 602 HOH B O 6910 O O . HOH U . ? 0.5259 0.5137 0.2383 -0.0306 0.0512 0.0672 603 HOH B O 6911 O O . HOH U . ? 0.4915 0.6416 0.4918 -0.0311 -0.0185 0.3041 604 HOH B O 6912 O O . HOH U . ? 0.2006 0.1719 0.2261 0.0283 -0.0519 0.0373 605 HOH B O 6913 O O . HOH U . ? 0.2283 0.2925 0.4097 0.0074 0.0731 -0.0597 606 HOH B O 6914 O O . HOH U . ? 0.4256 0.2996 0.2330 0.0487 -0.1086 0.0792 607 HOH B O 6915 O O . HOH U . ? 0.4774 0.2442 0.5847 -0.0547 0.0569 0.0261 608 HOH B O 6916 O O . HOH U . ? 0.4653 0.5313 0.4937 0.0099 0.1071 -0.1843 609 HOH B O 6917 O O . HOH U . ? 0.4181 0.1466 0.5074 0.0062 0.0646 -0.0670 610 HOH B O 6918 O O . HOH U . ? 0.2255 0.3107 0.3191 0.0012 0.0416 -0.0025 611 HOH B O 6919 O O . HOH U . ? 0.5762 0.6464 0.5453 0.1041 -0.1081 0.2401 612 HOH B O 6920 O O . HOH U . ? 0.2823 0.4824 0.2038 0.0872 0.0213 -0.0043 613 HOH B O 6921 O O . HOH U . ? 0.5677 0.2317 0.4037 0.0424 0.2483 0.1603 614 HOH B O 6922 O O . HOH U . ? 0.4496 0.2332 0.3316 0.0182 -0.0299 0.0291 615 HOH B O 6923 O O . HOH U . ? 0.5122 0.5018 0.4366 -0.2994 0.1517 -0.0151 616 HOH B O 6924 O O . HOH U . ? 0.4806 0.5444 0.6030 -0.1872 0.0847 -0.0070 617 HOH B O 6925 O O . HOH U . ? 0.5579 0.5835 0.5246 0.1271 0.0023 0.1674 618 HOH B O 6926 O O . HOH U . ? 0.2434 0.4259 0.2114 -0.0279 0.0766 -0.0835 619 HOH B O 6927 O O . HOH U . ? 0.5586 0.7547 0.4441 0.2511 -0.1646 -0.4341 620 HOH B O 6928 O O . HOH U . ? 0.4146 0.3383 0.3640 0.0493 0.0464 0.0455 621 HOH B O 6929 O O . HOH U . ? 0.3775 0.2640 0.3803 -0.0661 0.0407 0.0132 622 HOH B O 6930 O O . HOH U . ? 0.7078 0.3608 0.4911 0.0192 -0.1716 0.1199 623 HOH B O 6931 O O . HOH U . ? 0.5898 0.5736 0.5577 0.1291 0.2140 0.0180 624 HOH B O 6932 O O . HOH U . ? 0.4489 0.2503 0.3657 -0.1106 0.1493 -0.1169 625 HOH B O 6933 O O . HOH U . ? 0.3292 0.2270 0.2118 0.0035 0.0646 0.0177 626 HOH B O 6934 O O . HOH U . ? 0.2564 0.2020 0.2878 -0.0070 -0.0096 0.0264 627 HOH B O 6935 O O . HOH U . ? 0.4782 0.5972 0.5388 -0.1340 -0.0598 0.1547 628 HOH B O 6936 O O . HOH U . ? 0.7277 0.5177 0.5574 -0.0902 0.1021 -0.0540 629 HOH B O 6937 O O . HOH U . ? 0.3097 0.3659 0.3728 -0.0850 -0.1714 0.1028 630 HOH B O 6938 O O . HOH U . ? 0.3134 0.4507 0.5141 -0.0649 -0.0571 0.1530 631 HOH B O 6939 O O . HOH U . ? 0.4192 0.3653 0.6591 -0.0546 0.1284 -0.0792 632 HOH B O 6940 O O . HOH U . ? 0.4068 0.5516 0.5864 -0.1619 0.0241 -0.0020 633 HOH B O 6941 O O . HOH U . ? 0.4003 0.5636 0.4945 -0.1074 -0.0344 0.1072 634 HOH B O 6942 O O . HOH U . ? 0.2975 0.2472 0.3073 -0.1174 -0.0289 0.0244 635 HOH B O 6943 O O . HOH U . ? 0.3717 0.5569 0.4289 0.1167 -0.0851 0.0582 636 HOH B O 6944 O O . HOH U . ? 0.6602 0.4473 0.4315 0.0890 -0.0402 0.0662 637 HOH B O 6945 O O . HOH U . ? 0.2051 0.3043 0.3990 0.0158 -0.0759 -0.0338 638 HOH B O 6946 O O . HOH U . ? 0.6276 0.4024 0.6634 0.1050 0.0561 -0.0738 639 HOH B O 6947 O O . HOH U . ? 0.4748 0.5782 0.4561 -0.1818 0.0682 -0.0175 640 HOH B O 6948 O O . HOH U . ? 0.3444 0.3409 0.3609 -0.1407 0.0793 -0.0508 641 HOH B O 6949 O O . HOH U . ? 0.5457 0.5988 0.2149 -0.0472 -0.0195 0.0191 642 HOH B O 6950 O O . HOH U . ? 0.5009 0.5163 0.3304 -0.0550 -0.0237 0.0569 643 HOH B O 6951 O O . HOH U . ? 0.2722 0.2984 0.3127 -0.0911 -0.0395 0.1017 644 HOH B O 6952 O O . HOH U . ? 0.2595 0.3168 0.3678 -0.0473 -0.1044 0.0076 645 HOH B O 6953 O O . HOH U . ? 0.5721 0.3795 0.4670 -0.0872 -0.0759 -0.0864 646 HOH B O 6954 O O . HOH U . ? 0.2267 0.5101 0.4665 0.0019 0.1297 -0.1781 647 HOH B O 6955 O O . HOH U . ? 0.4154 0.5771 0.6511 0.1142 -0.0680 -0.0845 648 HOH B O 6956 O O . HOH U . ? 0.4540 0.5798 0.5234 0.0250 -0.0114 -0.1003 649 HOH B O 6957 O O . HOH U . ? 0.5063 0.4268 0.4135 0.0278 -0.0883 0.1273 650 HOH B O 6958 O O . HOH U . ? 0.6876 0.4994 0.4648 -0.0688 0.1377 0.0751 651 HOH B O 6959 O O . HOH U . ? 0.2936 0.4335 0.2525 -0.0837 -0.0411 -0.0637 652 HOH B O 6960 O O . HOH U . ? 0.4140 0.3460 0.6641 0.0052 -0.0045 0.2146 653 HOH B O 6961 O O . HOH U . ? 0.3036 0.3923 0.4157 0.0211 0.0860 -0.0928 654 HOH B O 6962 O O . HOH U . ? 0.2905 0.6042 0.5899 -0.0514 -0.2373 -0.0047 655 HOH B O 6963 O O . HOH U . ? 0.4319 0.5541 0.5240 0.1321 0.0118 -0.1076 656 HOH B O 6964 O O . HOH U . ? 0.3982 0.4986 0.5660 0.0873 0.0913 0.0359 657 HOH B O 6965 O O . HOH U . ? 0.2868 0.3479 0.2931 0.0134 0.0493 -0.0786 658 HOH B O 6966 O O . HOH U . ? 0.4679 0.5024 0.1424 0.0222 0.0516 0.0644 659 HOH B O 6967 O O . HOH U . ? 0.6835 0.6485 0.3253 -0.0295 -0.0308 -0.0028 660 HOH B O 6968 O O . HOH U . ? 0.4883 0.5875 0.7236 -0.0332 -0.0778 -0.0819 661 HOH B O 6969 O O . HOH U . ? 0.4493 0.2823 0.2562 0.0349 0.1570 0.0585 663 HOH B O 6970 O O . HOH U . ? 0.4896 0.4981 0.5044 0.1724 0.1691 -0.0074 664 HOH B O 6971 O O . HOH U . ? 0.5278 0.2012 0.3269 -0.0585 0.0459 -0.0003 665 HOH B O 6972 O O . HOH U . ? 0.3248 0.3056 0.4116 -0.1042 0.1437 0.0385 666 HOH B O 6973 O O . HOH U . ? 0.1515 0.5508 0.5056 -0.0205 -0.0132 0.3339 667 HOH B O 6974 O O . HOH U . ? 0.3845 0.3924 0.3981 -0.0943 -0.0188 0.1911 668 HOH B O 6975 O O . HOH U . ? 0.2466 0.5207 0.3991 -0.0076 0.0804 -0.0490 669 HOH B O 6976 O O . HOH U . ? 0.4069 0.3640 0.5902 0.0988 -0.0021 0.0019 670 HOH B O 6977 O O . HOH U . ? 0.2414 0.4736 0.4613 -0.0544 -0.0027 0.1614 671 HOH B O 6978 O O . HOH U . ? 0.4142 0.3483 0.2418 0.0223 -0.0323 -0.0289 672 HOH B O 6979 O O . HOH U . ? 0.3919 0.4993 0.5938 0.0501 0.0273 -0.0959 673 HOH B O 6980 O O . HOH U . ? 0.2822 0.3433 0.4376 -0.0262 0.0562 0.0126 674 HOH B O 6981 O O . HOH U . ? 0.4378 0.5204 0.5139 0.0555 0.0195 0.0617 675 HOH B O 6982 O O . HOH U . ? 0.6282 0.4868 0.3272 -0.0290 -0.1970 -0.1249 676 HOH B O 6983 O O . HOH U . ? 0.2142 0.4011 0.3370 0.1095 0.1253 0.1427 677 HOH B O 6984 O O . HOH U . ? 0.2894 0.3545 0.3498 0.0660 0.1230 -0.0105 678 HOH B O 6985 O O . HOH U . ? 0.3855 0.2826 0.2698 0.0261 0.1138 -0.0460 679 HOH B O 6986 O O . HOH U . ? 0.2104 0.2697 0.3928 -0.0287 0.0618 0.0213 680 HOH B O 6987 O O . HOH U . ? 0.3855 0.4955 0.3228 0.0341 0.0277 0.0052 681 HOH B O 6988 O O . HOH U . ? 0.3606 0.3189 0.5458 -0.0692 -0.0569 0.0896 682 HOH B O 6989 O O . HOH U . ? 0.2621 0.4436 0.4227 -0.1684 0.0693 -0.0299 683 HOH B O 6990 O O . HOH U . ? 0.2798 0.4740 0.6178 0.0481 -0.1307 -0.2289 684 HOH B O 6991 O O . HOH U . ? 0.5298 0.6805 0.4423 -0.0052 -0.0730 -0.1304 685 HOH B O 6992 O O . HOH U . ? 0.1810 0.2449 0.5685 -0.0256 0.1399 -0.0276 686 HOH B O 6993 O O . HOH U . ? 0.3356 0.2541 0.4068 0.0010 -0.0923 0.0490 687 HOH B O 6994 O O . HOH U . ? 0.5349 0.6444 0.5573 0.0865 -0.0104 0.1103 688 HOH B O 6995 O O . HOH U . ? 0.3020 0.4758 0.3265 -0.0163 0.0500 0.1058 689 HOH B O 6996 O O . HOH U . ? 0.2555 0.2829 0.3287 -0.0873 0.0240 0.0413 690 HOH B O 6997 O O . HOH U . ? 0.4990 0.4348 0.3401 0.0185 -0.1542 0.0093 691 HOH B O 6998 O O . HOH U . ? 0.7911 0.4563 0.2520 0.0841 0.0506 -0.1288 692 HOH B O 6999 O O . HOH U . ? 0.3332 0.2886 0.4851 -0.0646 -0.1416 -0.1542 693 HOH B O 7000 O O . HOH U . ? 0.4237 0.3456 0.5322 0.0280 -0.1148 0.0168 694 HOH B O 7001 O O . HOH U . ? 0.3271 0.4214 0.1961 -0.1126 0.0165 0.0670 695 HOH B O 7002 O O . HOH U . ? 0.3495 0.3910 0.2397 0.0198 0.0822 -0.0205 696 HOH B O 7003 O O . HOH U . ? 0.2322 0.4813 0.4345 -0.0981 0.0548 -0.0828 697 HOH B O 7004 O O . HOH U . ? 0.3412 0.3748 0.2831 -0.0325 -0.1040 -0.0274 698 HOH B O 7005 O O . HOH U . ? 0.2099 0.4057 0.4183 -0.0623 0.1268 -0.1728 699 HOH B O 7006 O O . HOH U . ? 0.5956 0.3447 0.6115 -0.1768 -0.0484 -0.1296 700 HOH B O 7007 O O . HOH U . ? 0.4397 0.2838 0.2879 -0.0088 0.1959 0.0638 701 HOH B O 7008 O O . HOH U . ? 0.2736 0.5607 0.2218 0.0927 -0.0016 0.0043 702 HOH B O 7009 O O . HOH U . ? 0.3675 0.3534 0.3329 0.0740 0.1027 0.0964 703 HOH B O 7010 O O . HOH U . ? 0.2362 0.5240 0.6636 -0.1073 -0.0391 0.0253 704 HOH B O 7011 O O . HOH U . ? 0.5779 0.6118 0.4267 0.0121 0.0160 -0.0296 705 HOH B O 7012 O O . HOH U . ? 0.4613 0.3124 0.6012 -0.0198 0.2375 0.0041 706 HOH B O 7013 O O . HOH U . ? 0.5928 0.5533 0.4809 -0.0486 -0.1908 -0.2457 707 HOH B O 7014 O O . HOH U . ? 0.2773 0.3033 0.1879 -0.0195 0.0147 -0.0786 708 HOH B O 7015 O O . HOH U . ? 0.4993 0.6250 0.3302 -0.0256 0.1379 -0.0270 709 HOH B O 7016 O O . HOH U . ? 0.5177 0.3571 0.5854 -0.0570 -0.0876 0.0216 710 HOH B O 7017 O O . HOH U . ? 0.6204 0.4690 0.7169 -0.3874 0.1603 0.0668 711 HOH B O 7018 O O . HOH U . ? 0.3144 0.5894 0.4622 -0.1202 -0.0577 -0.1911 712 HOH B O 7019 O O . HOH U . ? 0.4563 0.5507 0.6634 0.0289 -0.0176 0.1161 713 HOH B O 7020 O O . HOH U . ? 0.2721 0.5095 0.5853 -0.0640 -0.0563 0.0414 714 HOH B O 7021 O O . HOH U . ? 0.3205 0.3478 0.5247 -0.0269 -0.0755 0.0949 715 HOH B O 7022 O O . HOH U . ? 0.2382 0.2486 0.6087 -0.0188 0.0032 0.1265 716 HOH B O 7023 O O . HOH U . ? 0.2976 0.2642 0.4015 -0.1631 0.0333 0.0943 717 HOH B O 7024 O O . HOH U . ? 0.6272 0.5270 0.3813 -0.1850 0.1606 0.0085 718 HOH B O 7025 O O . HOH U . ? 0.1585 0.2723 0.6466 0.0493 -0.0189 -0.0775 719 HOH B O 7026 O O . HOH U . ? 0.3401 0.2800 0.3963 -0.0914 -0.0768 -0.0019 720 HOH B O 7027 O O . HOH U . ? 0.3736 0.5117 0.5197 0.0140 -0.1269 0.0334 721 HOH B O 7028 O O . HOH U . ? 0.4980 0.5351 0.5752 -0.1184 0.1947 0.0972 722 HOH B O 7029 O O . HOH U . ? 0.4711 0.4540 0.3116 0.2594 0.0735 0.2051 723 HOH B O 7030 O O . HOH U . ? 0.3929 0.6381 0.6218 -0.2900 -0.1026 0.0749 724 HOH B O 7031 O O . HOH U . ? 0.4916 0.4301 0.6171 0.0184 0.0500 -0.0008 725 HOH B O 7032 O O . HOH U . ? 0.3744 0.4321 0.2738 -0.0343 -0.1401 -0.0455 726 HOH B O 7033 O O . HOH U . ? 0.3286 0.5099 0.3050 0.0886 -0.0126 0.1287 727 HOH B O 7034 O O . HOH U . ? 0.5440 0.6434 0.6184 -0.1107 0.0739 0.0733 728 HOH B O 7035 O O . HOH U . ? 0.6446 0.6000 0.4052 -0.1135 -0.0204 0.0884 729 HOH B O 7036 O O . HOH U . ? 0.4228 0.5314 0.5943 -0.1618 -0.1002 -0.0162 730 HOH B O 7037 O O . HOH U . ? 0.5891 0.5046 0.6481 0.0355 -0.1221 0.2034 731 HOH B O 7038 O O . HOH U . ? 0.3933 0.3222 0.3202 0.1028 -0.0738 -0.0490 732 HOH B O 7039 O O . HOH U . ? 0.1839 0.3080 0.4887 0.0209 -0.0338 -0.0733 733 HOH B O 7040 O O . HOH U . ? 0.4979 0.5092 0.6085 0.0927 0.1891 0.0254 734 HOH B O 7041 O O . HOH U . ? 0.3991 0.6178 0.4285 -0.2175 0.0969 -0.0577 735 HOH B O 7042 O O . HOH U . ? 0.2587 0.2829 0.4333 0.0121 0.0884 0.1310 736 HOH B O 7043 O O . HOH U . ? 0.4349 0.4055 0.3363 0.1648 -0.1099 -0.0427 737 HOH B O 7044 O O . HOH U . ? 0.5846 0.5010 0.5536 -0.0493 0.1277 0.0709 738 HOH B O 7045 O O . HOH U . ? 0.4767 0.4195 0.2355 0.0604 -0.0526 -0.1074 739 HOH B O 7046 O O . HOH U . ? 0.3335 0.3345 0.3429 -0.1486 -0.1042 0.0951 740 HOH B O 7047 O O . HOH U . ? 0.5684 0.6382 0.4379 -0.0294 0.0103 0.0269 741 HOH B O 7048 O O . HOH U . ? 0.6360 0.6782 0.4070 -0.0941 0.0715 0.2828 742 HOH B O 7049 O O . HOH U . ? 0.2306 0.5682 0.4399 -0.1788 -0.0622 0.1755 743 HOH B O 7050 O O . HOH U . ? 0.4165 0.2875 0.5173 -0.0356 0.0682 0.1816 744 HOH B O 7051 O O . HOH U . ? 0.3062 0.3907 0.3756 -0.1301 0.1844 -0.1646 745 HOH B O 7052 O O . HOH U . ? 0.6390 0.5885 0.5536 -0.0362 -0.1462 -0.0647 746 HOH B O 7053 O O . HOH U . ? 0.3370 0.4984 0.4500 0.0379 -0.1161 -0.1000 747 HOH B O 7054 O O . HOH U . ? 0.5179 0.6478 0.5050 0.1128 0.1484 0.0851 748 HOH B O 7055 O O . HOH U . ? 0.4201 0.2973 0.4295 -0.0217 0.0469 -0.0003 749 HOH B O 7056 O O . HOH U . ? 0.3563 0.3244 0.2819 -0.0142 0.0124 -0.0717 750 HOH B O 7057 O O . HOH U . ? 0.3659 0.3012 0.4444 -0.0165 -0.1718 -0.0335 752 HOH B O 7058 O O . HOH U . ? 0.6111 0.6890 0.5901 -0.0347 -0.1415 0.0127 753 HOH B O 7059 O O . HOH U . ? 0.4489 0.4207 0.3122 -0.1064 -0.0702 0.0449 754 HOH B O 7060 O O . HOH U . ? 0.4286 0.3318 0.3338 0.0675 0.1017 0.0367 755 HOH B O 7061 O O . HOH U . ? 0.3462 0.5663 0.5580 -0.1734 0.0172 -0.0400 756 HOH B O 7062 O O . HOH U . ? 0.1651 0.5732 0.3004 -0.0290 -0.0388 -0.1737 757 HOH B O 7063 O O . HOH U . ? 0.5971 0.2283 0.3927 -0.1043 0.2103 -0.0584 758 HOH B O 7064 O O . HOH U . ? 0.2646 0.2681 0.7386 0.0433 0.0987 0.1228 759 HOH B O 7065 O O . HOH U . ? 0.3928 0.6097 0.4553 0.0347 0.1477 -0.0795 760 HOH B O 7066 O O . HOH U . ? 0.3524 0.5730 0.6572 0.1852 0.0721 0.0773 761 HOH B O 7067 O O . HOH U . ? 0.5069 0.5551 0.3567 -0.0059 -0.1520 0.1141 762 HOH B O 7068 O O . HOH U . ? 0.4299 0.5438 0.3810 -0.0954 -0.1014 -0.0164 763 HOH B O 7069 O O . HOH U . ? 0.3686 0.5324 0.4385 -0.1561 -0.0425 0.1866 764 HOH B O 7070 O O . HOH U . ? 0.3705 0.4979 0.4819 -0.0357 0.1474 0.0886 765 HOH B O 7071 O O . HOH U . ? 0.2549 0.3506 0.4709 -0.1072 -0.0910 -0.0282 766 HOH B O 7072 O O . HOH U . ? 0.4117 0.4049 0.2279 -0.0976 0.1190 -0.0496 767 HOH B O 7073 O O . HOH U . ? 0.6601 0.4985 0.5199 -0.1015 0.0286 0.1126 768 HOH B O 7074 O O . HOH U . ? 0.5028 0.5250 0.3415 -0.0565 -0.0280 0.0995 769 HOH B O 7075 O O . HOH U . ? 0.4416 0.2767 0.4702 0.1289 -0.1213 -0.0116 770 HOH B O 7076 O O . HOH U . ? 0.3169 0.2259 0.2299 -0.0299 0.0021 0.0276 771 HOH B O 7077 O O . HOH U . ? 0.2816 0.5090 0.3387 0.0905 0.0259 0.0399 772 HOH B O 7078 O O . HOH U . ? 0.2222 0.6938 0.3446 -0.1779 -0.0208 -0.0416 773 HOH B O 7079 O O . HOH U . ? 0.6133 0.4058 0.5268 -0.2537 0.0253 0.0651 774 HOH B O 7080 O O . HOH U . ? 0.4450 0.4221 0.4094 -0.1660 -0.1665 0.1402 775 HOH B O 7081 O O . HOH U . ? 0.2611 0.6076 0.2804 0.1093 0.0937 0.0697 776 HOH B O 7082 O O . HOH U . ? 0.2306 0.4021 0.4923 -0.0443 -0.0613 -0.0951 777 HOH B O 7083 O O . HOH U . ? 0.4389 0.6609 0.5307 0.0075 0.0680 0.0257 778 HOH B O 7084 O O . HOH U . ? 0.7156 0.5984 0.5545 0.1447 -0.0272 0.0167 779 HOH B O 7085 O O . HOH U . ? 0.4701 0.4497 0.6031 -0.0854 -0.0940 -0.0901 780 HOH B O 7086 O O . HOH U . ? 0.5235 0.4791 0.4110 0.0352 -0.0266 0.0709 781 HOH B O 7087 O O . HOH U . ? 0.4065 0.4254 0.2915 -0.1043 -0.0240 -0.0274 782 HOH B O 7088 O O . HOH U . ? 0.5433 0.4961 0.5276 -0.0404 0.0285 0.0446 783 HOH B O 7089 O O . HOH U . ? 0.3772 0.5892 0.4817 -0.1473 -0.1774 0.0367 784 HOH B O 7090 O O . HOH U . ? 0.4747 0.5203 0.3244 0.1770 0.0588 0.0841 785 HOH B O 7091 O O . HOH U . ? 0.3902 0.6548 0.6761 0.2926 -0.0736 -0.0746 786 HOH B O 7092 O O . HOH U . ? 0.6261 0.6288 0.5121 0.0001 -0.1642 -0.0132 787 HOH B O 7093 O O . HOH U . ? 0.5872 0.5596 0.4893 0.0188 0.2476 0.1391 788 HOH B O 7094 O O . HOH U . ? 0.5617 0.6625 0.5570 -0.0909 0.0654 0.0761 789 HOH B O 7095 O O . HOH U . ? 0.4730 0.4185 0.5336 0.0863 0.0311 0.2199 790 HOH B O 7096 O O . HOH U . ? 0.4849 0.4549 0.4222 0.0548 0.0742 -0.1944 791 HOH B O 7097 O O . HOH U . ? 0.7590 0.4395 0.2611 0.0694 -0.0012 0.0632 792 HOH B O 7098 O O . HOH U . ? 0.5910 0.4577 0.4113 0.2185 -0.1736 -0.1635 793 HOH B O 7099 O O . HOH U . ? 0.6176 0.5407 0.4589 -0.2487 0.0678 0.1168 794 HOH B O 7100 O O . HOH U . ? 0.5779 0.5661 0.2416 0.1681 0.1009 0.0569 795 HOH B O 7101 O O . HOH U . ? 0.2968 0.3864 0.4306 -0.0505 -0.1286 0.0485 796 HOH B O 7102 O O . HOH U . ? 0.5675 0.4506 0.6168 0.1425 -0.0573 0.0312 797 HOH B O 7103 O O . HOH U . ? 0.6862 0.4292 0.5665 0.0651 -0.0258 -0.0222 798 HOH B O 7104 O O . HOH U . ? 0.5644 0.5867 0.5453 -0.0456 -0.2390 0.0705 799 HOH B O 7105 O O . HOH U . ? 0.6524 0.6129 0.4421 0.0394 -0.0314 -0.0617 800 HOH B O 7106 O O . HOH U . ? 0.5505 0.6640 0.4014 -0.0069 0.0762 -0.1680 807 HOH B O 7107 O O . HOH U . ? 0.5378 0.5130 0.6846 -0.0839 0.0090 0.1456 808 HOH B O 7108 O O . HOH U . ? 0.5582 0.6449 0.4105 -0.2169 -0.2333 -0.0197 809 HOH B O 7109 O O . HOH U . ? 0.5091 0.5846 0.7108 0.1258 -0.0086 -0.0512 810 HOH B O 7110 O O . HOH U . ? 0.2747 0.3874 0.5788 0.1318 -0.1327 -0.1566 811 HOH B O 7111 O O . HOH U . ? 0.3134 0.2063 0.5656 0.0249 -0.1241 -0.0960 812 HOH B O 7112 O O . HOH U . ? 0.1873 0.3994 0.4888 -0.1019 -0.0117 0.0297 813 HOH B O 7113 O O . HOH U . ? 0.6621 0.5752 0.6622 -0.0184 0.1020 -0.0717 814 HOH B O 7114 O O . HOH U . ? 0.5684 0.4701 0.4806 0.1353 -0.0631 -0.0232 815 HOH B O 7115 O O . HOH U . ? 0.5236 0.6432 0.4920 -0.0504 0.0219 0.1320 816 HOH B O 7116 O O . HOH U . ? 0.5579 0.6026 0.7000 -0.0483 -0.0276 -0.0059 817 HOH B O 7117 O O . HOH U . ? 0.4407 0.6893 0.6689 0.0372 0.0236 0.0277 818 HOH B O 7118 O O . HOH U . ? 0.5404 0.5950 0.7057 -0.1328 -0.1824 0.0824 819 HOH B O 7119 O O . HOH U . ? 0.4957 0.5383 0.2466 -0.2305 -0.0054 -0.0031 820 HOH B O 7120 O O . HOH U . ? 0.3358 0.4883 0.3289 0.1241 -0.0881 -0.0775 821 HOH B O 7121 O O . HOH U . ? 0.4221 0.3488 0.2916 -0.0246 0.0136 0.0020 822 HOH B O 7122 O O . HOH U . ? 0.6772 0.5873 0.7715 0.0095 -0.0918 -0.0206 823 HOH B O 7123 O O . HOH U . ? 0.4373 0.5266 0.4649 0.1655 -0.0516 0.1972 824 HOH B O 7124 O O . HOH U . ? 0.5500 0.4534 0.5202 0.0612 0.0920 -0.0580 827 HOH B O 7125 O O . HOH U . ? 0.6385 0.6196 0.6690 -0.0469 0.0372 -0.0416 828 HOH B O 7126 O O . HOH U . ? 0.4080 0.5461 0.7210 -0.0342 0.1039 -0.0347 829 HOH B O 7127 O O . HOH U . ? 0.2547 0.3547 0.4908 -0.0708 -0.0090 -0.0198 830 HOH B O 7128 O O . HOH U . ? 0.5713 0.6799 0.6651 -0.0074 0.0148 0.0562 831 HOH B O 7129 O O . HOH U . ? 0.1931 0.4362 0.5366 0.0077 -0.0113 0.0277 832 HOH B O 7130 O O . HOH U . ? 0.5625 0.6576 0.6318 -0.0040 -0.1486 -0.0302 833 HOH B O 7131 O O . HOH U . ? 0.6490 0.4828 0.5881 0.1038 -0.0373 0.0824 834 HOH B O 7132 O O . HOH U . ? 0.5665 0.5764 0.5401 -0.1122 0.1953 -0.0270 835 HOH B O 7133 O O . HOH U . ? 0.3337 0.2962 0.5388 -0.0748 0.0060 -0.1167 836 HOH B O 7134 O O . HOH U . ? 0.5601 0.6213 0.7416 0.0603 0.0336 0.1695 837 HOH B O 7135 O O . HOH U . ? 0.5446 0.2951 0.6984 0.0096 -0.0303 -0.0804 838 HOH B O 7136 O O . HOH U . ? 0.6251 0.5978 0.6251 -0.0101 -0.0355 -0.0103 839 HOH B O 7137 O O . HOH U . ? 0.1843 0.5311 0.3970 0.0130 0.0151 0.0393 840 HOH B O 7138 O O . HOH U . ? 0.3078 0.5781 0.3451 0.0231 -0.0949 -0.1097 841 HOH B O 7139 O O . HOH U . ? 0.3219 0.3795 0.5704 -0.0433 -0.1000 0.1030 842 HOH B O 7140 O O . HOH U . ? 0.4502 0.5381 0.7062 -0.0921 0.0269 -0.1104 843 HOH B O 7141 O O . HOH U . ? 0.5265 0.6879 0.4695 0.0312 -0.0811 -0.0229 844 HOH B O 7142 O O . HOH U . ? 0.5656 0.6417 0.4791 -0.3254 -0.1430 -0.0218 845 HOH B O 7143 O O . HOH U . ? 0.4554 0.6490 0.3772 0.1034 0.0466 0.2048 846 HOH B O 7144 O O . HOH U . ? 0.3904 0.3142 0.5750 0.1444 -0.0369 0.0619 847 HOH B O 7145 O O . HOH U . ? 0.5719 0.3210 0.5023 -0.1321 -0.0093 -0.0303 848 HOH B O 7146 O O . HOH U . ? 0.4302 0.3626 0.3286 -0.1011 -0.1430 0.0752 849 HOH B O 7147 O O . HOH U . ? 0.5578 0.4663 0.7525 -0.1057 -0.0204 -0.0559 850 HOH B O 7148 O O . HOH U . ? 0.3721 0.4322 0.3435 -0.1625 -0.0275 -0.0561 851 HOH B O 7149 O O . HOH U . ? 0.5253 0.5880 0.5904 -0.2553 -0.1197 -0.1796 852 HOH B O 7150 O O . HOH U . ? 0.6113 0.5745 0.5315 -0.0900 0.1612 -0.0382 853 HOH B O 7151 O O . HOH U . ? 0.3847 0.6030 0.4087 0.0652 0.0166 -0.1848 854 HOH B O 7152 O O . HOH U . ? 0.6910 0.4245 0.2234 -0.2620 0.1134 -0.1282 855 HOH B O 7153 O O . HOH U . ? 0.5326 0.5842 0.5734 -0.1379 -0.0410 -0.0945 856 HOH B O 7154 O O . HOH U . ? 0.6901 0.4812 0.6697 -0.0082 -0.0132 -0.0158 857 HOH B O 7155 O O . HOH U . ? 0.5445 0.3181 0.4864 -0.0406 -0.2398 -0.0625 858 HOH B O 7156 O O . HOH U . ? 0.5740 0.5031 0.7097 0.0709 0.1012 -0.1278 859 HOH B O 7157 O O . HOH U . ? 0.4265 0.2752 0.5411 0.0236 0.1468 -0.1580 860 HOH B O 7158 O O . HOH U . ? 0.4202 0.4910 0.5756 -0.2808 0.0037 -0.1456 861 HOH B O 7159 O O . HOH U . ? 0.5271 0.5963 0.7253 0.0986 0.1243 -0.1016 862 HOH B O 7160 O O . HOH U . ? 0.4272 0.5396 0.2827 0.0707 0.0574 -0.0777 863 HOH B O 7161 O O . HOH U . ? 0.5594 0.5671 0.6276 0.0319 -0.1796 -0.1395 864 HOH B O 7162 O O . HOH U . ? 0.4088 0.3572 0.3440 0.0074 -0.0189 0.2265 865 HOH B O 7163 O O . HOH U . ? 0.5734 0.6132 0.6425 -0.0507 -0.2031 0.1048 866 HOH B O 7164 O O . HOH U . ? 0.7190 0.6178 0.5825 0.0551 -0.0985 0.1019 867 HOH B O 7165 O O . HOH U . ? 0.4064 0.3597 0.3353 -0.0119 0.1236 0.0025 868 HOH B O 7166 O O . HOH U . ? 0.5179 0.5509 0.5110 0.0073 -0.0309 -0.0546 869 HOH B O 7167 O O . HOH U . ? 0.4227 0.7175 0.4399 -0.0666 -0.0834 -0.1765 870 HOH B O 7168 O O . HOH U . ? 0.5174 0.6897 0.6725 -0.1620 -0.0490 0.0533 871 HOH B O 7169 O O . HOH U . ? 0.3902 0.3868 0.4463 -0.0426 -0.1005 -0.0112 872 HOH B O 7170 O O . HOH U . ? 0.4877 0.6507 0.5325 -0.0302 0.1080 0.1386 873 HOH B O 7171 O O . HOH U . ? 0.4283 0.4239 0.5118 -0.1964 -0.1176 0.0501 874 HOH B O 7172 O O . HOH U . ? 0.2785 0.5515 0.4386 -0.0706 0.0268 -0.0954 875 HOH B O 7173 O O . HOH U . ? 0.2090 0.6306 0.5483 -0.1302 0.0928 -0.0945 876 HOH B O 7174 O O . HOH U . ? 0.5624 0.2557 0.5831 0.0715 -0.1302 -0.0258 877 HOH B O 7175 O O . HOH U . ? 0.5702 0.5933 0.6278 -0.0431 -0.2502 -0.0793 878 HOH B O 7176 O O . HOH U . ? 0.2831 0.3236 0.5140 -0.0675 0.0314 0.0019 879 HOH B O 7177 O O . HOH U . ? 0.5448 0.6883 0.6581 -0.0450 0.0971 0.0845 880 HOH B O 7178 O O . HOH U . ? 0.3234 0.6122 0.6177 0.1057 0.1602 0.1369 881 HOH B O 7179 O O . HOH U . ? 0.6197 0.6761 0.6168 0.0648 -0.0650 0.0250 882 HOH B O 7180 O O . HOH U . ? 0.5101 0.4123 0.6972 -0.0837 0.0944 0.2627 883 HOH B O 7181 O O . HOH U . ? 0.5349 0.5032 0.5283 -0.0063 -0.0223 -0.1133 884 HOH B O 7182 O O . HOH U . ? 0.4838 0.6066 0.5573 0.0940 -0.0949 0.1573 885 HOH B O 7183 O O . HOH U . ? 0.4005 0.5300 0.2620 0.0979 -0.0160 0.0239 886 HOH B O 7184 O O . HOH U . ? 0.6298 0.3805 0.5135 -0.2248 -0.0469 -0.0670 887 HOH B O 7185 O O . HOH U . ? 0.2502 0.6207 0.3128 -0.0272 0.0597 0.0483 888 HOH B O 7186 O O . HOH U . ? 0.7019 0.6553 0.6852 0.0257 -0.0280 -0.0426 889 HOH B O 7187 O O . HOH U . ? 0.4135 0.6113 0.5921 0.0364 -0.1669 -0.0136 890 HOH B O 7188 O O . HOH U . ? 0.5206 0.5244 0.6808 -0.0408 0.1297 -0.1937 891 HOH B O 7189 O O . HOH U . ? 0.4031 0.4233 0.3223 -0.0301 0.0180 -0.0706 892 HOH B O 7190 O O . HOH U . ? 0.6106 0.5079 0.6357 -0.0537 0.1600 -0.2963 893 HOH B O 7191 O O . HOH U . ? 0.5208 0.5393 0.3733 0.1177 0.0186 0.1564 894 HOH B O 7192 O O . HOH U . ? 0.2756 0.3402 0.2293 -0.0054 0.0400 -0.0414 895 HOH B O 7193 O O . HOH U . ? 0.5491 0.2188 0.2565 0.0270 0.2103 0.0180 896 HOH B O 7194 O O . HOH U . ? 0.3199 0.3711 0.6923 0.0381 -0.1680 0.1335 897 HOH B O 7195 O O . HOH U . ? 0.7060 0.4499 0.4731 0.0359 0.0028 -0.0392 898 HOH B O 7196 O O . HOH U . ? 0.3655 0.6484 0.2094 -0.2751 -0.0333 -0.0079 899 HOH B O 7197 O O . HOH U . ? 0.3645 0.3910 0.3936 0.0292 -0.0597 0.1671 900 HOH B O 7198 O O . HOH U . ? 0.5502 0.7039 0.4989 -0.0643 0.0946 0.1313 901 HOH B O 7199 O O . HOH U . ? 0.3929 0.7491 0.5524 0.0683 -0.1546 0.1356 902 HOH B O 7200 O O . HOH U . ? 0.5258 0.5064 0.3329 -0.0039 -0.0639 0.0098 903 HOH B O 7201 O O . HOH U . ? 0.5082 0.5348 0.5324 -0.0476 -0.1102 -0.0119 904 HOH B O 7202 O O . HOH U . ? 0.4600 0.4715 0.5112 0.0958 0.1648 -0.0760 905 HOH B O 7203 O O . HOH U . ? 0.4118 0.3498 0.7627 0.0971 -0.3504 -0.0953 906 HOH B O 7204 O O . HOH U . ? 0.3712 0.3667 0.4154 0.0230 -0.0670 -0.0290 907 HOH B O 7205 O O . HOH U . ? 0.2617 0.5252 0.6804 0.2069 -0.0402 -0.0935 908 HOH B O 7206 O O . HOH U . ? 0.7461 0.6617 0.4998 0.1013 -0.0583 -0.0770 909 HOH B O 7207 O O . HOH U . ? 0.5846 0.6039 0.3558 -0.1322 0.0814 0.0918 910 HOH B O 7208 O O . HOH U . ? 0.5710 0.7106 0.6706 -0.0217 0.2001 -0.0086 911 HOH B O 7209 O O . HOH U . ? 0.6401 0.7173 0.6191 -0.0991 0.1142 0.0111 912 HOH B O 7210 O O . HOH U . ? 0.5400 0.6062 0.6496 0.0119 0.1827 0.0308 913 HOH B O 7211 O O . HOH U . ? 0.6396 0.5487 0.6362 -0.1318 0.1592 0.1023 914 HOH B O 7212 O O . HOH U . ? 0.7441 0.6117 0.5656 -0.0021 0.1287 0.0399 915 HOH B O 7213 O O . HOH U . ? 0.6614 0.5129 0.4004 0.0278 0.0093 0.2503 916 HOH B O 7214 O O . HOH U . ? 0.7536 0.7395 0.5389 -0.0129 -0.1431 -0.0831 917 HOH B O 7215 O O . HOH U . ? 0.6838 0.5998 0.6379 -0.0344 0.1411 0.1408 921 HOH B O 7216 O O . HOH U . ? 0.5333 0.4988 0.6520 -0.0886 0.2116 -0.0450 923 HOH B O 7217 O O . HOH U . ? 0.6795 0.6401 0.5747 -0.0154 0.1214 0.0402 931 HOH B O 7218 O O . HOH U . ? 0.5475 0.7484 0.6241 -0.0384 -0.1551 0.1302 933 HOH B O 7219 O O . HOH U . ? 0.6527 0.6711 0.4949 -0.0908 0.1237 -0.0515 936 HOH B O 7220 O O . HOH U . ? 0.5675 0.4768 0.4991 -0.2706 -0.1245 -0.0839 940 HOH B O 7221 O O . HOH U . ? 0.7097 0.7394 0.4897 0.0088 0.1913 -0.0507 941 HOH B O 7222 O O . HOH U . ? 0.5270 0.4253 0.6942 -0.1499 0.1021 0.0899 944 HOH B O 7223 O O . HOH U . ? 0.6225 0.5507 0.4431 -0.0464 -0.0080 -0.1092 946 HOH B O 7224 O O . HOH U . ? 0.7841 0.5869 0.7447 -0.0066 -0.0200 -0.0784 948 HOH B O 7225 O O . HOH U . ? 0.5259 0.6003 0.5311 -0.0701 0.1280 0.0916 949 HOH B O # 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 PRO 1 82 82 PRO PRO A . n A 1 2 GLU 2 83 83 GLU GLU A . n A 1 3 PHE 3 84 84 PHE PHE A . n A 1 4 LEU 4 85 85 LEU LEU A . n A 1 5 ASN 5 86 86 ASN ASN A . n A 1 6 ASN 6 87 87 ASN ASN A . n A 1 7 THR 7 88 88 THR THR A . n A 1 8 GLU 8 89 89 GLU GLU A . n A 1 9 PRO 9 90 90 PRO PRO A . n A 1 10 LEU 10 91 91 LEU LEU A . n A 1 11 CYS 11 92 92 CYS CYS A . n A 1 12 ASN 12 93 93 ASN ASN A . n A 1 13 VAL 13 94 94 VAL VAL A . n A 1 14 SER 14 95 95 SER SER A . n A 1 15 GLY 15 96 96 GLY GLY A . n A 1 16 PHE 16 97 97 PHE PHE A . n A 1 17 ALA 17 98 98 ALA ALA A . n A 1 18 ILE 18 99 99 ILE ILE A . n A 1 19 VAL 19 100 100 VAL VAL A . n A 1 20 SER 20 101 101 SER SER A . n A 1 21 LYS 21 102 102 LYS LYS A . n A 1 22 ASP 22 103 103 ASP ASP A . n A 1 23 ASN 23 104 104 ASN ASN A . n A 1 24 GLY 24 105 105 GLY GLY A . n A 1 25 ILE 25 106 106 ILE ILE A . n A 1 26 ARG 26 107 107 ARG ARG A . n A 1 27 ILE 27 108 108 ILE ILE A . n A 1 28 GLY 28 109 109 GLY GLY A . n A 1 29 SER 29 110 110 SER SER A . n A 1 30 ARG 30 111 111 ARG ARG A . n A 1 31 GLY 31 112 112 GLY GLY A . n A 1 32 HIS 32 113 113 HIS HIS A . n A 1 33 VAL 33 114 114 VAL VAL A . n A 1 34 PHE 34 115 115 PHE PHE A . n A 1 35 VAL 35 116 116 VAL VAL A . n A 1 36 ILE 36 117 117 ILE ILE A . n A 1 37 ARG 37 118 118 ARG ARG A . n A 1 38 GLU 38 119 119 GLU GLU A . n A 1 39 PRO 39 120 120 PRO PRO A . n A 1 40 PHE 40 121 121 PHE PHE A . n A 1 41 VAL 41 122 122 VAL VAL A . n A 1 42 ALA 42 123 123 ALA ALA A . n A 1 43 CYS 43 124 124 CYS CYS A . n A 1 44 GLY 44 125 125 GLY GLY A . n A 1 45 PRO 45 126 126 PRO PRO A . n A 1 46 THR 46 127 127 THR THR A . n A 1 47 GLU 47 128 128 GLU GLU A . n A 1 48 CYS 48 129 129 CYS CYS A . n A 1 49 ARG 49 130 130 ARG ARG A . n A 1 50 THR 50 131 131 THR THR A . n A 1 51 PHE 51 132 132 PHE PHE A . n A 1 52 PHE 52 133 133 PHE PHE A . n A 1 53 LEU 53 134 134 LEU LEU A . n A 1 54 THR 54 135 135 THR THR A . n A 1 55 GLN 55 136 136 GLN GLN A . n A 1 56 GLY 56 137 137 GLY GLY A . n A 1 57 ALA 57 138 138 ALA ALA A . n A 1 58 LEU 58 139 139 LEU LEU A . n A 1 59 LEU 59 140 140 LEU LEU A . n A 1 60 ASN 60 141 141 ASN ASN A . n A 1 61 ASP 61 142 142 ASP ASP A . n A 1 62 LYS 62 143 143 LYS LYS A . n A 1 63 HIS 63 144 144 HIS HIS A . n A 1 64 SER 64 145 145 SER SER A . n A 1 65 ASN 65 146 146 ASN ASN A . n A 1 66 ASN 66 147 147 ASN ASN A . n A 1 67 THR 67 148 148 THR THR A . n A 1 68 VAL 68 149 149 VAL VAL A . n A 1 69 LYS 69 150 150 LYS LYS A . n A 1 70 ASP 70 151 151 ASP ASP A . n A 1 71 ARG 71 152 152 ARG ARG A . n A 1 72 SER 72 153 153 SER SER A . n A 1 73 PRO 73 154 154 PRO PRO A . n A 1 74 TYR 74 155 155 TYR TYR A . n A 1 75 ARG 75 156 156 ARG ARG A . n A 1 76 ALA 76 157 157 ALA ALA A . n A 1 77 LEU 77 158 158 LEU LEU A . n A 1 78 MET 78 159 159 MET MET A . n A 1 79 SER 79 160 160 SER SER A . n A 1 80 VAL 80 161 161 VAL VAL A . n A 1 81 PRO 81 162 162 PRO PRO A . n A 1 82 LEU 82 163 163 LEU LEU A . n A 1 83 GLY 83 164 164 GLY GLY A . n A 1 84 SER 84 164 164 SER SER A A n A 1 85 SER 85 165 165 SER SER A . n A 1 86 PRO 86 166 166 PRO PRO A . n A 1 87 ASN 87 167 167 ASN ASN A . n A 1 88 ALA 88 168 168 ALA ALA A . n A 1 89 TYR 89 169 169 TYR TYR A . n A 1 90 GLN 90 170 170 GLN GLN A . n A 1 91 ALA 91 171 171 ALA ALA A . n A 1 92 LYS 92 172 172 LYS LYS A . n A 1 93 PHE 93 173 173 PHE PHE A . n A 1 94 GLU 94 174 174 GLU GLU A . n A 1 95 SER 95 175 175 SER SER A . n A 1 96 VAL 96 176 176 VAL VAL A . n A 1 97 ALA 97 177 177 ALA ALA A . n A 1 98 TRP 98 178 178 TRP TRP A . n A 1 99 SER 99 179 179 SER SER A . n A 1 100 ALA 100 180 180 ALA ALA A . n A 1 101 THR 101 181 181 THR THR A . n A 1 102 ALA 102 182 182 ALA ALA A . n A 1 103 CYS 103 183 183 CYS CYS A . n A 1 104 HIS 104 184 184 HIS HIS A . n A 1 105 ASP 105 185 185 ASP ASP A . n A 1 106 GLY 106 186 186 GLY GLY A . n A 1 107 LYS 107 187 187 LYS LYS A . n A 1 108 LYS 108 188 188 LYS LYS A . n A 1 109 TRP 109 189 189 TRP TRP A . n A 1 110 LEU 110 190 190 LEU LEU A . n A 1 111 ALA 111 191 191 ALA ALA A . n A 1 112 VAL 112 192 192 VAL VAL A . n A 1 113 GLY 113 193 193 GLY GLY A . n A 1 114 ILE 114 194 194 ILE ILE A . n A 1 115 SER 115 195 195 SER SER A . n A 1 116 GLY 116 196 196 GLY GLY A . n A 1 117 ALA 117 197 197 ALA ALA A . n A 1 118 ASP 118 198 198 ASP ASP A . n A 1 119 ASP 119 199 199 ASP ASP A . n A 1 120 ASP 120 200 200 ASP ASP A . n A 1 121 ALA 121 201 201 ALA ALA A . n A 1 122 TYR 122 202 202 TYR TYR A . n A 1 123 ALA 123 203 203 ALA ALA A . n A 1 124 VAL 124 204 204 VAL VAL A . n A 1 125 ILE 125 205 205 ILE ILE A . n A 1 126 HIS 126 206 206 HIS HIS A . n A 1 127 TYR 127 207 207 TYR TYR A . n A 1 128 GLY 128 208 208 GLY GLY A . n A 1 129 GLY 129 209 209 GLY GLY A . n A 1 130 MET 130 210 210 MET MET A . n A 1 131 PRO 131 211 211 PRO PRO A . n A 1 132 THR 132 212 212 THR THR A . n A 1 133 ASP 133 213 213 ASP ASP A . n A 1 134 VAL 134 214 214 VAL VAL A . n A 1 135 VAL 135 215 215 VAL VAL A . n A 1 136 ARG 136 216 216 ARG ARG A . n A 1 137 SER 137 217 217 SER SER A . n A 1 138 TRP 138 218 218 TRP TRP A . n A 1 139 ARG 139 219 219 ARG ARG A . n A 1 140 LYS 140 220 220 LYS LYS A . n A 1 141 GLN 141 221 221 GLN GLN A . n A 1 142 ILE 142 222 222 ILE ILE A . n A 1 143 LEU 143 223 223 LEU LEU A . n A 1 144 ARG 144 224 224 ARG ARG A . n A 1 145 THR 145 225 225 THR THR A . n A 1 146 GLN 146 226 226 GLN GLN A . n A 1 147 GLU 147 227 227 GLU GLU A . n A 1 148 SER 148 228 228 SER SER A . n A 1 149 SER 149 229 229 SER SER A . n A 1 150 CYS 150 230 230 CYS CYS A . n A 1 151 VAL 151 231 231 VAL VAL A . n A 1 152 CYS 152 232 232 CYS CYS A . n A 1 153 MET 153 233 233 MET MET A . n A 1 154 ASN 154 234 234 ASN ASN A . n A 1 155 GLY 155 235 235 GLY GLY A . n A 1 156 ASN 156 236 236 ASN ASN A . n A 1 157 CYS 157 237 237 CYS CYS A . n A 1 158 TYR 158 238 238 TYR TYR A . n A 1 159 TRP 159 239 239 TRP TRP A . n A 1 160 VAL 160 240 240 VAL VAL A . n A 1 161 MET 161 241 241 MET MET A . n A 1 162 THR 162 242 242 THR THR A . n A 1 163 ASP 163 243 243 ASP ASP A . n A 1 164 GLY 164 244 244 GLY GLY A . n A 1 165 PRO 165 245 245 PRO PRO A . n A 1 166 ALA 166 246 246 ALA ALA A . n A 1 167 ASN 167 247 247 ASN ASN A . n A 1 168 SER 168 248 248 SER SER A . n A 1 169 GLN 169 249 249 GLN GLN A . n A 1 170 ALA 170 250 250 ALA ALA A . n A 1 171 SER 171 251 251 SER SER A . n A 1 172 TYR 172 252 252 TYR TYR A . n A 1 173 LYS 173 253 253 LYS LYS A . n A 1 174 ILE 174 254 254 ILE ILE A . n A 1 175 PHE 175 255 255 PHE PHE A . n A 1 176 LYS 176 256 256 LYS LYS A . n A 1 177 SER 177 257 257 SER SER A . n A 1 178 HIS 178 258 258 HIS HIS A . n A 1 179 GLU 179 259 259 GLU GLU A . n A 1 180 GLY 180 260 260 GLY GLY A . n A 1 181 MET 181 261 261 MET MET A . n A 1 182 VAL 182 262 262 VAL VAL A . n A 1 183 THR 183 263 263 THR THR A . n A 1 184 ASN 184 264 264 ASN ASN A . n A 1 185 GLU 185 265 265 GLU GLU A . n A 1 186 ARG 186 266 266 ARG ARG A . n A 1 187 GLU 187 267 267 GLU GLU A . n A 1 188 VAL 188 268 268 VAL VAL A . n A 1 189 SER 189 269 269 SER SER A . n A 1 190 PHE 190 270 270 PHE PHE A . n A 1 191 GLN 191 271 271 GLN GLN A . n A 1 192 GLY 192 272 272 GLY GLY A . n A 1 193 GLY 193 273 273 GLY GLY A . n A 1 194 HIS 194 274 274 HIS HIS A . n A 1 195 ILE 195 275 275 ILE ILE A . n A 1 196 GLU 196 276 276 GLU GLU A . n A 1 197 GLU 197 277 277 GLU GLU A . n A 1 198 CYS 198 278 278 CYS CYS A . n A 1 199 SER 199 279 279 SER SER A . n A 1 200 CYS 200 280 280 CYS CYS A . n A 1 201 TYR 201 281 281 TYR TYR A . n A 1 202 PRO 202 282 282 PRO PRO A . n A 1 203 ASN 203 283 283 ASN ASN A . n A 1 204 LEU 204 284 284 LEU LEU A . n A 1 205 GLY 205 285 285 GLY GLY A . n A 1 206 LYS 206 286 286 LYS LYS A . n A 1 207 VAL 207 287 287 VAL VAL A . n A 1 208 GLU 208 288 288 GLU GLU A . n A 1 209 CYS 209 289 289 CYS CYS A . n A 1 210 VAL 210 290 290 VAL VAL A . n A 1 211 CYS 211 291 291 CYS CYS A . n A 1 212 ARG 212 292 292 ARG ARG A . n A 1 213 ASP 213 293 293 ASP ASP A . n A 1 214 ASN 214 294 294 ASN ASN A . n A 1 215 TRP 215 295 295 TRP TRP A . n A 1 216 ASN 216 296 296 ASN ASN A . n A 1 217 GLY 217 297 297 GLY GLY A . n A 1 218 MET 218 298 298 MET MET A . n A 1 219 ASN 219 299 299 ASN ASN A . n A 1 220 ARG 220 300 300 ARG ARG A . n A 1 221 PRO 221 301 301 PRO PRO A . n A 1 222 ILE 222 302 302 ILE ILE A . n A 1 223 LEU 223 303 303 LEU LEU A . n A 1 224 ILE 224 304 304 ILE ILE A . n A 1 225 PHE 225 305 305 PHE PHE A . n A 1 226 ASP 226 306 306 ASP ASP A . n A 1 227 GLU 227 308 308 GLU GLU A . n A 1 228 ASP 228 309 309 ASP ASP A . n A 1 229 LEU 229 310 310 LEU LEU A . n A 1 230 ASP 230 311 311 ASP ASP A . n A 1 231 TYR 231 312 312 TYR TYR A . n A 1 232 GLU 232 313 313 GLU GLU A . n A 1 233 VAL 233 314 314 VAL VAL A . n A 1 234 GLY 234 315 315 GLY GLY A . n A 1 235 TYR 235 316 316 TYR TYR A . n A 1 236 LEU 236 317 317 LEU LEU A . n A 1 237 CYS 237 318 318 CYS CYS A . n A 1 238 ALA 238 319 319 ALA ALA A . n A 1 239 GLY 239 320 320 GLY GLY A . n A 1 240 ILE 240 321 321 ILE ILE A . n A 1 241 PRO 241 322 322 PRO PRO A . n A 1 242 THR 242 323 323 THR THR A . n A 1 243 ASP 243 324 324 ASP ASP A . n A 1 244 THR 244 325 325 THR THR A . n A 1 245 PRO 245 326 326 PRO PRO A . n A 1 246 ARG 246 327 327 ARG ARG A . n A 1 247 VAL 247 328 328 VAL VAL A . n A 1 248 GLN 248 329 329 GLN GLN A . n A 1 249 ASP 249 330 330 ASP ASP A . n A 1 250 SER 250 331 331 SER SER A . n A 1 251 SER 251 332 332 SER SER A . n A 1 252 PHE 252 333 333 PHE PHE A . n A 1 253 THR 253 334 334 THR THR A . n A 1 254 GLY 254 335 335 GLY GLY A . n A 1 255 SER 255 336 336 SER SER A . n A 1 256 CYS 256 337 337 CYS CYS A . n A 1 257 THR 257 338 338 THR THR A . n A 1 258 ASN 258 339 339 ASN ASN A . n A 1 259 ALA 259 340 340 ALA ALA A . n A 1 260 VAL 260 341 341 VAL VAL A . n A 1 261 GLY 261 342 342 GLY GLY A . n A 1 262 GLY 262 343 343 GLY GLY A . n A 1 263 SER 263 344 344 SER SER A . n A 1 264 GLY 264 345 345 GLY GLY A . n A 1 265 THR 265 346 346 THR THR A . n A 1 266 ASN 266 346 346 ASN ASN A A n A 1 267 ASN 267 346 346 ASN ASN A B n A 1 268 TYR 268 347 347 TYR TYR A . n A 1 269 GLY 269 348 348 GLY GLY A . n A 1 270 VAL 270 349 349 VAL VAL A . n A 1 271 LYS 271 350 350 LYS LYS A . n A 1 272 GLY 272 351 351 GLY GLY A . n A 1 273 PHE 273 352 352 PHE PHE A . n A 1 274 GLY 274 353 353 GLY GLY A . n A 1 275 PHE 275 354 354 PHE PHE A . n A 1 276 ARG 276 355 355 ARG ARG A . n A 1 277 GLN 277 356 356 GLN GLN A . n A 1 278 GLY 278 357 357 GLY GLY A . n A 1 279 ASN 279 358 358 ASN ASN A . n A 1 280 SER 280 359 359 SER SER A . n A 1 281 VAL 281 360 360 VAL VAL A . n A 1 282 TRP 282 361 361 TRP TRP A . n A 1 283 ALA 283 362 362 ALA ALA A . n A 1 284 GLY 284 363 363 GLY GLY A . n A 1 285 ARG 285 364 364 ARG ARG A . n A 1 286 THR 286 365 365 THR THR A . n A 1 287 VAL 287 366 366 VAL VAL A . n A 1 288 SER 288 367 367 SER SER A . n A 1 289 ILE 289 368 368 ILE ILE A . n A 1 290 SER 290 369 369 SER SER A . n A 1 291 SER 291 370 370 SER SER A . n A 1 292 ARG 292 371 371 ARG ARG A . n A 1 293 SER 293 372 372 SER SER A . n A 1 294 GLY 294 373 373 GLY GLY A . n A 1 295 PHE 295 374 374 PHE PHE A . n A 1 296 GLU 296 375 375 GLU GLU A . n A 1 297 ILE 297 376 376 ILE ILE A . n A 1 298 LEU 298 377 377 LEU LEU A . n A 1 299 LEU 299 378 378 LEU LEU A . n A 1 300 ILE 300 379 379 ILE ILE A . n A 1 301 GLU 301 380 380 GLU GLU A . n A 1 302 ASP 302 381 381 ASP ASP A . n A 1 303 GLY 303 382 382 GLY GLY A . n A 1 304 TRP 304 383 383 TRP TRP A . n A 1 305 ILE 305 384 384 ILE ILE A . n A 1 306 ARG 306 385 385 ARG ARG A . n A 1 307 THR 307 387 387 THR THR A . n A 1 308 SER 308 388 388 SER SER A . n A 1 309 LYS 309 389 389 LYS LYS A . n A 1 310 THR 310 390 390 THR THR A . n A 1 311 ILE 311 391 391 ILE ILE A . n A 1 312 VAL 312 392 392 VAL VAL A . n A 1 313 LYS 313 393 393 LYS LYS A . n A 1 314 LYS 314 394 394 LYS LYS A . n A 1 315 VAL 315 395 395 VAL VAL A . n A 1 316 GLU 316 396 396 GLU GLU A . n A 1 317 VAL 317 397 397 VAL VAL A . n A 1 318 LEU 318 398 398 LEU LEU A . n A 1 319 ASN 319 399 399 ASN ASN A . n A 1 320 ASN 320 400 400 ASN ASN A . n A 1 321 LYS 321 401 401 LYS LYS A . n A 1 322 ASN 322 402 402 ASN ASN A . n A 1 323 TRP 323 403 403 TRP TRP A . n A 1 324 SER 324 404 404 SER SER A . n A 1 325 GLY 325 405 405 GLY GLY A . n A 1 326 TYR 326 406 406 TYR TYR A . n A 1 327 SER 327 407 407 SER SER A . n A 1 328 GLY 328 408 408 GLY GLY A . n A 1 329 ALA 329 409 409 ALA ALA A . n A 1 330 PHE 330 410 410 PHE PHE A . n A 1 331 THR 331 411 411 THR THR A . n A 1 332 ILE 332 412 412 ILE ILE A . n A 1 333 PRO 333 413 413 PRO PRO A . n A 1 334 ILE 334 413 413 ILE ILE A A n A 1 335 THR 335 413 413 THR THR A B n A 1 336 MET 336 413 413 MET MET A C n A 1 337 THR 337 413 413 THR THR A D n A 1 338 SER 338 414 414 SER SER A . n A 1 339 LYS 339 415 415 LYS LYS A . n A 1 340 GLN 340 416 416 GLN GLN A . n A 1 341 CYS 341 417 417 CYS CYS A . n A 1 342 LEU 342 418 418 LEU LEU A . n A 1 343 VAL 343 419 419 VAL VAL A . n A 1 344 PRO 344 420 420 PRO PRO A . n A 1 345 CYS 345 421 421 CYS CYS A . n A 1 346 PHE 346 422 422 PHE PHE A . n A 1 347 TRP 347 423 423 TRP TRP A . n A 1 348 LEU 348 424 424 LEU LEU A . n A 1 349 GLU 349 425 425 GLU GLU A . n A 1 350 MET 350 426 426 MET MET A . n A 1 351 ILE 351 427 427 ILE ILE A . n A 1 352 ARG 352 428 428 ARG ARG A . n A 1 353 GLY 353 429 429 GLY GLY A . n A 1 354 LYS 354 430 430 LYS LYS A . n A 1 355 PRO 355 431 431 PRO PRO A . n A 1 356 GLU 356 432 432 GLU GLU A . n A 1 357 GLU 357 433 433 GLU GLU A . n A 1 358 ARG 358 434 434 ARG ARG A . n A 1 359 THR 359 435 435 THR THR A . n A 1 360 SER 360 436 436 SER SER A . n A 1 361 ILE 361 437 437 ILE ILE A . n A 1 362 TRP 362 438 438 TRP TRP A . n A 1 363 THR 363 439 439 THR THR A . n A 1 364 SER 364 440 440 SER SER A . n A 1 365 SER 365 441 441 SER SER A . n A 1 366 SER 366 442 442 SER SER A . n A 1 367 SER 367 443 443 SER SER A . n A 1 368 THR 368 444 444 THR THR A . n A 1 369 VAL 369 445 445 VAL VAL A . n A 1 370 PHE 370 446 446 PHE PHE A . n A 1 371 CYS 371 447 447 CYS CYS A . n A 1 372 GLY 372 448 448 GLY GLY A . n A 1 373 VAL 373 449 449 VAL VAL A . n A 1 374 SER 374 450 450 SER SER A . n A 1 375 SER 375 451 451 SER SER A . n A 1 376 GLU 376 452 452 GLU GLU A . n A 1 377 VAL 377 453 453 VAL VAL A . n A 1 378 PRO 378 454 454 PRO PRO A . n A 1 379 GLY 379 455 455 GLY GLY A . n A 1 380 TRP 380 456 456 TRP TRP A . n A 1 381 SER 381 457 457 SER SER A . n A 1 382 TRP 382 458 458 TRP TRP A . n A 1 383 ASP 383 459 459 ASP ASP A . n A 1 384 ASP 384 460 460 ASP ASP A . n A 1 385 GLY 385 461 461 GLY GLY A . n A 1 386 ALA 386 462 462 ALA ALA A . n A 1 387 ILE 387 463 463 ILE ILE A . n A 1 388 LEU 388 464 464 LEU LEU A . n A 1 389 PRO 389 465 465 PRO PRO A . n A 1 390 PHE 390 466 466 PHE PHE A . n A 1 391 ASP 391 467 467 ASP ASP A . n A 1 392 ILE 392 468 468 ILE ILE A . n A 1 393 ASP 393 469 469 ASP ASP A . n A 1 394 LYS 394 470 470 LYS LYS A . n A 1 395 MET 395 471 ? ? ? A . n B 1 1 PRO 1 82 82 PRO PRO B . n B 1 2 GLU 2 83 83 GLU GLU B . n B 1 3 PHE 3 84 84 PHE PHE B . n B 1 4 LEU 4 85 85 LEU LEU B . n B 1 5 ASN 5 86 86 ASN ASN B . n B 1 6 ASN 6 87 87 ASN ASN B . n B 1 7 THR 7 88 88 THR THR B . n B 1 8 GLU 8 89 89 GLU GLU B . n B 1 9 PRO 9 90 90 PRO PRO B . n B 1 10 LEU 10 91 91 LEU LEU B . n B 1 11 CYS 11 92 92 CYS CYS B . n B 1 12 ASN 12 93 93 ASN ASN B . n B 1 13 VAL 13 94 94 VAL VAL B . n B 1 14 SER 14 95 95 SER SER B . n B 1 15 GLY 15 96 96 GLY GLY B . n B 1 16 PHE 16 97 97 PHE PHE B . n B 1 17 ALA 17 98 98 ALA ALA B . n B 1 18 ILE 18 99 99 ILE ILE B . n B 1 19 VAL 19 100 100 VAL VAL B . n B 1 20 SER 20 101 101 SER SER B . n B 1 21 LYS 21 102 102 LYS LYS B . n B 1 22 ASP 22 103 103 ASP ASP B . n B 1 23 ASN 23 104 104 ASN ASN B . n B 1 24 GLY 24 105 105 GLY GLY B . n B 1 25 ILE 25 106 106 ILE ILE B . n B 1 26 ARG 26 107 107 ARG ARG B . n B 1 27 ILE 27 108 108 ILE ILE B . n B 1 28 GLY 28 109 109 GLY GLY B . n B 1 29 SER 29 110 110 SER SER B . n B 1 30 ARG 30 111 111 ARG ARG B . n B 1 31 GLY 31 112 112 GLY GLY B . n B 1 32 HIS 32 113 113 HIS HIS B . n B 1 33 VAL 33 114 114 VAL VAL B . n B 1 34 PHE 34 115 115 PHE PHE B . n B 1 35 VAL 35 116 116 VAL VAL B . n B 1 36 ILE 36 117 117 ILE ILE B . n B 1 37 ARG 37 118 118 ARG ARG B . n B 1 38 GLU 38 119 119 GLU GLU B . n B 1 39 PRO 39 120 120 PRO PRO B . n B 1 40 PHE 40 121 121 PHE PHE B . n B 1 41 VAL 41 122 122 VAL VAL B . n B 1 42 ALA 42 123 123 ALA ALA B . n B 1 43 CYS 43 124 124 CYS CYS B . n B 1 44 GLY 44 125 125 GLY GLY B . n B 1 45 PRO 45 126 126 PRO PRO B . n B 1 46 THR 46 127 127 THR THR B . n B 1 47 GLU 47 128 128 GLU GLU B . n B 1 48 CYS 48 129 129 CYS CYS B . n B 1 49 ARG 49 130 130 ARG ARG B . n B 1 50 THR 50 131 131 THR THR B . n B 1 51 PHE 51 132 132 PHE PHE B . n B 1 52 PHE 52 133 133 PHE PHE B . n B 1 53 LEU 53 134 134 LEU LEU B . n B 1 54 THR 54 135 135 THR THR B . n B 1 55 GLN 55 136 136 GLN GLN B . n B 1 56 GLY 56 137 137 GLY GLY B . n B 1 57 ALA 57 138 138 ALA ALA B . n B 1 58 LEU 58 139 139 LEU LEU B . n B 1 59 LEU 59 140 140 LEU LEU B . n B 1 60 ASN 60 141 141 ASN ASN B . n B 1 61 ASP 61 142 142 ASP ASP B . n B 1 62 LYS 62 143 143 LYS LYS B . n B 1 63 HIS 63 144 144 HIS HIS B . n B 1 64 SER 64 145 145 SER SER B . n B 1 65 ASN 65 146 146 ASN ASN B . n B 1 66 ASN 66 147 147 ASN ASN B . n B 1 67 THR 67 148 148 THR THR B . n B 1 68 VAL 68 149 149 VAL VAL B . n B 1 69 LYS 69 150 150 LYS LYS B . n B 1 70 ASP 70 151 151 ASP ASP B . n B 1 71 ARG 71 152 152 ARG ARG B . n B 1 72 SER 72 153 153 SER SER B . n B 1 73 PRO 73 154 154 PRO PRO B . n B 1 74 TYR 74 155 155 TYR TYR B . n B 1 75 ARG 75 156 156 ARG ARG B . n B 1 76 ALA 76 157 157 ALA ALA B . n B 1 77 LEU 77 158 158 LEU LEU B . n B 1 78 MET 78 159 159 MET MET B . n B 1 79 SER 79 160 160 SER SER B . n B 1 80 VAL 80 161 161 VAL VAL B . n B 1 81 PRO 81 162 162 PRO PRO B . n B 1 82 LEU 82 163 163 LEU LEU B . n B 1 83 GLY 83 164 164 GLY GLY B . n B 1 84 SER 84 164 164 SER SER B A n B 1 85 SER 85 165 165 SER SER B . n B 1 86 PRO 86 166 166 PRO PRO B . n B 1 87 ASN 87 167 167 ASN ASN B . n B 1 88 ALA 88 168 168 ALA ALA B . n B 1 89 TYR 89 169 169 TYR TYR B . n B 1 90 GLN 90 170 170 GLN GLN B . n B 1 91 ALA 91 171 171 ALA ALA B . n B 1 92 LYS 92 172 172 LYS LYS B . n B 1 93 PHE 93 173 173 PHE PHE B . n B 1 94 GLU 94 174 174 GLU GLU B . n B 1 95 SER 95 175 175 SER SER B . n B 1 96 VAL 96 176 176 VAL VAL B . n B 1 97 ALA 97 177 177 ALA ALA B . n B 1 98 TRP 98 178 178 TRP TRP B . n B 1 99 SER 99 179 179 SER SER B . n B 1 100 ALA 100 180 180 ALA ALA B . n B 1 101 THR 101 181 181 THR THR B . n B 1 102 ALA 102 182 182 ALA ALA B . n B 1 103 CYS 103 183 183 CYS CYS B . n B 1 104 HIS 104 184 184 HIS HIS B . n B 1 105 ASP 105 185 185 ASP ASP B . n B 1 106 GLY 106 186 186 GLY GLY B . n B 1 107 LYS 107 187 187 LYS LYS B . n B 1 108 LYS 108 188 188 LYS LYS B . n B 1 109 TRP 109 189 189 TRP TRP B . n B 1 110 LEU 110 190 190 LEU LEU B . n B 1 111 ALA 111 191 191 ALA ALA B . n B 1 112 VAL 112 192 192 VAL VAL B . n B 1 113 GLY 113 193 193 GLY GLY B . n B 1 114 ILE 114 194 194 ILE ILE B . n B 1 115 SER 115 195 195 SER SER B . n B 1 116 GLY 116 196 196 GLY GLY B . n B 1 117 ALA 117 197 197 ALA ALA B . n B 1 118 ASP 118 198 198 ASP ASP B . n B 1 119 ASP 119 199 199 ASP ASP B . n B 1 120 ASP 120 200 200 ASP ASP B . n B 1 121 ALA 121 201 201 ALA ALA B . n B 1 122 TYR 122 202 202 TYR TYR B . n B 1 123 ALA 123 203 203 ALA ALA B . n B 1 124 VAL 124 204 204 VAL VAL B . n B 1 125 ILE 125 205 205 ILE ILE B . n B 1 126 HIS 126 206 206 HIS HIS B . n B 1 127 TYR 127 207 207 TYR TYR B . n B 1 128 GLY 128 208 208 GLY GLY B . n B 1 129 GLY 129 209 209 GLY GLY B . n B 1 130 MET 130 210 210 MET MET B . n B 1 131 PRO 131 211 211 PRO PRO B . n B 1 132 THR 132 212 212 THR THR B . n B 1 133 ASP 133 213 213 ASP ASP B . n B 1 134 VAL 134 214 214 VAL VAL B . n B 1 135 VAL 135 215 215 VAL VAL B . n B 1 136 ARG 136 216 216 ARG ARG B . n B 1 137 SER 137 217 217 SER SER B . n B 1 138 TRP 138 218 218 TRP TRP B . n B 1 139 ARG 139 219 219 ARG ARG B . n B 1 140 LYS 140 220 220 LYS LYS B . n B 1 141 GLN 141 221 221 GLN GLN B . n B 1 142 ILE 142 222 222 ILE ILE B . n B 1 143 LEU 143 223 223 LEU LEU B . n B 1 144 ARG 144 224 224 ARG ARG B . n B 1 145 THR 145 225 225 THR THR B . n B 1 146 GLN 146 226 226 GLN GLN B . n B 1 147 GLU 147 227 227 GLU GLU B . n B 1 148 SER 148 228 228 SER SER B . n B 1 149 SER 149 229 229 SER SER B . n B 1 150 CYS 150 230 230 CYS CYS B . n B 1 151 VAL 151 231 231 VAL VAL B . n B 1 152 CYS 152 232 232 CYS CYS B . n B 1 153 MET 153 233 233 MET MET B . n B 1 154 ASN 154 234 234 ASN ASN B . n B 1 155 GLY 155 235 235 GLY GLY B . n B 1 156 ASN 156 236 236 ASN ASN B . n B 1 157 CYS 157 237 237 CYS CYS B . n B 1 158 TYR 158 238 238 TYR TYR B . n B 1 159 TRP 159 239 239 TRP TRP B . n B 1 160 VAL 160 240 240 VAL VAL B . n B 1 161 MET 161 241 241 MET MET B . n B 1 162 THR 162 242 242 THR THR B . n B 1 163 ASP 163 243 243 ASP ASP B . n B 1 164 GLY 164 244 244 GLY GLY B . n B 1 165 PRO 165 245 245 PRO PRO B . n B 1 166 ALA 166 246 246 ALA ALA B . n B 1 167 ASN 167 247 247 ASN ASN B . n B 1 168 SER 168 248 248 SER SER B . n B 1 169 GLN 169 249 249 GLN GLN B . n B 1 170 ALA 170 250 250 ALA ALA B . n B 1 171 SER 171 251 251 SER SER B . n B 1 172 TYR 172 252 252 TYR TYR B . n B 1 173 LYS 173 253 253 LYS LYS B . n B 1 174 ILE 174 254 254 ILE ILE B . n B 1 175 PHE 175 255 255 PHE PHE B . n B 1 176 LYS 176 256 256 LYS LYS B . n B 1 177 SER 177 257 257 SER SER B . n B 1 178 HIS 178 258 258 HIS HIS B . n B 1 179 GLU 179 259 259 GLU GLU B . n B 1 180 GLY 180 260 260 GLY GLY B . n B 1 181 MET 181 261 261 MET MET B . n B 1 182 VAL 182 262 262 VAL VAL B . n B 1 183 THR 183 263 263 THR THR B . n B 1 184 ASN 184 264 264 ASN ASN B . n B 1 185 GLU 185 265 265 GLU GLU B . n B 1 186 ARG 186 266 266 ARG ARG B . n B 1 187 GLU 187 267 267 GLU GLU B . n B 1 188 VAL 188 268 268 VAL VAL B . n B 1 189 SER 189 269 269 SER SER B . n B 1 190 PHE 190 270 270 PHE PHE B . n B 1 191 GLN 191 271 271 GLN GLN B . n B 1 192 GLY 192 272 272 GLY GLY B . n B 1 193 GLY 193 273 273 GLY GLY B . n B 1 194 HIS 194 274 274 HIS HIS B . n B 1 195 ILE 195 275 275 ILE ILE B . n B 1 196 GLU 196 276 276 GLU GLU B . n B 1 197 GLU 197 277 277 GLU GLU B . n B 1 198 CYS 198 278 278 CYS CYS B . n B 1 199 SER 199 279 279 SER SER B . n B 1 200 CYS 200 280 280 CYS CYS B . n B 1 201 TYR 201 281 281 TYR TYR B . n B 1 202 PRO 202 282 282 PRO PRO B . n B 1 203 ASN 203 283 283 ASN ASN B . n B 1 204 LEU 204 284 284 LEU LEU B . n B 1 205 GLY 205 285 285 GLY GLY B . n B 1 206 LYS 206 286 286 LYS LYS B . n B 1 207 VAL 207 287 287 VAL VAL B . n B 1 208 GLU 208 288 288 GLU GLU B . n B 1 209 CYS 209 289 289 CYS CYS B . n B 1 210 VAL 210 290 290 VAL VAL B . n B 1 211 CYS 211 291 291 CYS CYS B . n B 1 212 ARG 212 292 292 ARG ARG B . n B 1 213 ASP 213 293 293 ASP ASP B . n B 1 214 ASN 214 294 294 ASN ASN B . n B 1 215 TRP 215 295 295 TRP TRP B . n B 1 216 ASN 216 296 296 ASN ASN B . n B 1 217 GLY 217 297 297 GLY GLY B . n B 1 218 MET 218 298 298 MET MET B . n B 1 219 ASN 219 299 299 ASN ASN B . n B 1 220 ARG 220 300 300 ARG ARG B . n B 1 221 PRO 221 301 301 PRO PRO B . n B 1 222 ILE 222 302 302 ILE ILE B . n B 1 223 LEU 223 303 303 LEU LEU B . n B 1 224 ILE 224 304 304 ILE ILE B . n B 1 225 PHE 225 305 305 PHE PHE B . n B 1 226 ASP 226 306 306 ASP ASP B . n B 1 227 GLU 227 308 308 GLU GLU B . n B 1 228 ASP 228 309 309 ASP ASP B . n B 1 229 LEU 229 310 310 LEU LEU B . n B 1 230 ASP 230 311 311 ASP ASP B . n B 1 231 TYR 231 312 312 TYR TYR B . n B 1 232 GLU 232 313 313 GLU GLU B . n B 1 233 VAL 233 314 314 VAL VAL B . n B 1 234 GLY 234 315 315 GLY GLY B . n B 1 235 TYR 235 316 316 TYR TYR B . n B 1 236 LEU 236 317 317 LEU LEU B . n B 1 237 CYS 237 318 318 CYS CYS B . n B 1 238 ALA 238 319 319 ALA ALA B . n B 1 239 GLY 239 320 320 GLY GLY B . n B 1 240 ILE 240 321 321 ILE ILE B . n B 1 241 PRO 241 322 322 PRO PRO B . n B 1 242 THR 242 323 323 THR THR B . n B 1 243 ASP 243 324 324 ASP ASP B . n B 1 244 THR 244 325 325 THR THR B . n B 1 245 PRO 245 326 326 PRO PRO B . n B 1 246 ARG 246 327 327 ARG ARG B . n B 1 247 VAL 247 328 328 VAL VAL B . n B 1 248 GLN 248 329 329 GLN GLN B . n B 1 249 ASP 249 330 330 ASP ASP B . n B 1 250 SER 250 331 331 SER SER B . n B 1 251 SER 251 332 332 SER SER B . n B 1 252 PHE 252 333 333 PHE PHE B . n B 1 253 THR 253 334 334 THR THR B . n B 1 254 GLY 254 335 335 GLY GLY B . n B 1 255 SER 255 336 336 SER SER B . n B 1 256 CYS 256 337 337 CYS CYS B . n B 1 257 THR 257 338 338 THR THR B . n B 1 258 ASN 258 339 339 ASN ASN B . n B 1 259 ALA 259 340 340 ALA ALA B . n B 1 260 VAL 260 341 341 VAL VAL B . n B 1 261 GLY 261 342 342 GLY GLY B . n B 1 262 GLY 262 343 343 GLY GLY B . n B 1 263 SER 263 344 344 SER SER B . n B 1 264 GLY 264 345 345 GLY GLY B . n B 1 265 THR 265 346 346 THR THR B . n B 1 266 ASN 266 346 346 ASN ASN B A n B 1 267 ASN 267 346 346 ASN ASN B B n B 1 268 TYR 268 347 347 TYR TYR B . n B 1 269 GLY 269 348 348 GLY GLY B . n B 1 270 VAL 270 349 349 VAL VAL B . n B 1 271 LYS 271 350 350 LYS LYS B . n B 1 272 GLY 272 351 351 GLY GLY B . n B 1 273 PHE 273 352 352 PHE PHE B . n B 1 274 GLY 274 353 353 GLY GLY B . n B 1 275 PHE 275 354 354 PHE PHE B . n B 1 276 ARG 276 355 355 ARG ARG B . n B 1 277 GLN 277 356 356 GLN GLN B . n B 1 278 GLY 278 357 357 GLY GLY B . n B 1 279 ASN 279 358 358 ASN ASN B . n B 1 280 SER 280 359 359 SER SER B . n B 1 281 VAL 281 360 360 VAL VAL B . n B 1 282 TRP 282 361 361 TRP TRP B . n B 1 283 ALA 283 362 362 ALA ALA B . n B 1 284 GLY 284 363 363 GLY GLY B . n B 1 285 ARG 285 364 364 ARG ARG B . n B 1 286 THR 286 365 365 THR THR B . n B 1 287 VAL 287 366 366 VAL VAL B . n B 1 288 SER 288 367 367 SER SER B . n B 1 289 ILE 289 368 368 ILE ILE B . n B 1 290 SER 290 369 369 SER SER B . n B 1 291 SER 291 370 370 SER SER B . n B 1 292 ARG 292 371 371 ARG ARG B . n B 1 293 SER 293 372 372 SER SER B . n B 1 294 GLY 294 373 373 GLY GLY B . n B 1 295 PHE 295 374 374 PHE PHE B . n B 1 296 GLU 296 375 375 GLU GLU B . n B 1 297 ILE 297 376 376 ILE ILE B . n B 1 298 LEU 298 377 377 LEU LEU B . n B 1 299 LEU 299 378 378 LEU LEU B . n B 1 300 ILE 300 379 379 ILE ILE B . n B 1 301 GLU 301 380 380 GLU GLU B . n B 1 302 ASP 302 381 381 ASP ASP B . n B 1 303 GLY 303 382 382 GLY GLY B . n B 1 304 TRP 304 383 383 TRP TRP B . n B 1 305 ILE 305 384 384 ILE ILE B . n B 1 306 ARG 306 385 385 ARG ARG B . n B 1 307 THR 307 387 387 THR THR B . n B 1 308 SER 308 388 388 SER SER B . n B 1 309 LYS 309 389 389 LYS LYS B . n B 1 310 THR 310 390 390 THR THR B . n B 1 311 ILE 311 391 391 ILE ILE B . n B 1 312 VAL 312 392 392 VAL VAL B . n B 1 313 LYS 313 393 393 LYS LYS B . n B 1 314 LYS 314 394 394 LYS LYS B . n B 1 315 VAL 315 395 395 VAL VAL B . n B 1 316 GLU 316 396 396 GLU GLU B . n B 1 317 VAL 317 397 397 VAL VAL B . n B 1 318 LEU 318 398 398 LEU LEU B . n B 1 319 ASN 319 399 399 ASN ASN B . n B 1 320 ASN 320 400 400 ASN ASN B . n B 1 321 LYS 321 401 401 LYS LYS B . n B 1 322 ASN 322 402 402 ASN ASN B . n B 1 323 TRP 323 403 403 TRP TRP B . n B 1 324 SER 324 404 404 SER SER B . n B 1 325 GLY 325 405 405 GLY GLY B . n B 1 326 TYR 326 406 406 TYR TYR B . n B 1 327 SER 327 407 407 SER SER B . n B 1 328 GLY 328 408 408 GLY GLY B . n B 1 329 ALA 329 409 409 ALA ALA B . n B 1 330 PHE 330 410 410 PHE PHE B . n B 1 331 THR 331 411 411 THR THR B . n B 1 332 ILE 332 412 412 ILE ILE B . n B 1 333 PRO 333 413 413 PRO PRO B . n B 1 334 ILE 334 413 413 ILE ILE B A n B 1 335 THR 335 413 413 THR THR B B n B 1 336 MET 336 413 413 MET MET B C n B 1 337 THR 337 413 413 THR THR B D n B 1 338 SER 338 414 414 SER SER B . n B 1 339 LYS 339 415 415 LYS LYS B . n B 1 340 GLN 340 416 416 GLN GLN B . n B 1 341 CYS 341 417 417 CYS CYS B . n B 1 342 LEU 342 418 418 LEU LEU B . n B 1 343 VAL 343 419 419 VAL VAL B . n B 1 344 PRO 344 420 420 PRO PRO B . n B 1 345 CYS 345 421 421 CYS CYS B . n B 1 346 PHE 346 422 422 PHE PHE B . n B 1 347 TRP 347 423 423 TRP TRP B . n B 1 348 LEU 348 424 424 LEU LEU B . n B 1 349 GLU 349 425 425 GLU GLU B . n B 1 350 MET 350 426 426 MET MET B . n B 1 351 ILE 351 427 427 ILE ILE B . n B 1 352 ARG 352 428 428 ARG ARG B . n B 1 353 GLY 353 429 429 GLY GLY B . n B 1 354 LYS 354 430 430 LYS LYS B . n B 1 355 PRO 355 431 431 PRO PRO B . n B 1 356 GLU 356 432 432 GLU GLU B . n B 1 357 GLU 357 433 433 GLU GLU B . n B 1 358 ARG 358 434 434 ARG ARG B . n B 1 359 THR 359 435 435 THR THR B . n B 1 360 SER 360 436 436 SER SER B . n B 1 361 ILE 361 437 437 ILE ILE B . n B 1 362 TRP 362 438 438 TRP TRP B . n B 1 363 THR 363 439 439 THR THR B . n B 1 364 SER 364 440 440 SER SER B . n B 1 365 SER 365 441 441 SER SER B . n B 1 366 SER 366 442 442 SER SER B . n B 1 367 SER 367 443 443 SER SER B . n B 1 368 THR 368 444 444 THR THR B . n B 1 369 VAL 369 445 445 VAL VAL B . n B 1 370 PHE 370 446 446 PHE PHE B . n B 1 371 CYS 371 447 447 CYS CYS B . n B 1 372 GLY 372 448 448 GLY GLY B . n B 1 373 VAL 373 449 449 VAL VAL B . n B 1 374 SER 374 450 450 SER SER B . n B 1 375 SER 375 451 451 SER SER B . n B 1 376 GLU 376 452 452 GLU GLU B . n B 1 377 VAL 377 453 453 VAL VAL B . n B 1 378 PRO 378 454 454 PRO PRO B . n B 1 379 GLY 379 455 455 GLY GLY B . n B 1 380 TRP 380 456 456 TRP TRP B . n B 1 381 SER 381 457 457 SER SER B . n B 1 382 TRP 382 458 458 TRP TRP B . n B 1 383 ASP 383 459 459 ASP ASP B . n B 1 384 ASP 384 460 460 ASP ASP B . n B 1 385 GLY 385 461 461 GLY GLY B . n B 1 386 ALA 386 462 462 ALA ALA B . n B 1 387 ILE 387 463 463 ILE ILE B . n B 1 388 LEU 388 464 464 LEU LEU B . n B 1 389 PRO 389 465 465 PRO PRO B . n B 1 390 PHE 390 466 466 PHE PHE B . n B 1 391 ASP 391 467 467 ASP ASP B . n B 1 392 ILE 392 468 468 ILE ILE B . n B 1 393 ASP 393 469 469 ASP ASP B . n B 1 394 LYS 394 470 470 LYS LYS B . n B 1 395 MET 395 471 ? ? ? B . n # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 B ASN 12 B ASN 93 ? ASN 'GLYCOSYLATION SITE' 2 A ASN 65 A ASN 146 ? ASN 'GLYCOSYLATION SITE' 3 A ASN 12 A ASN 93 ? ASN 'GLYCOSYLATION SITE' 4 B ASN 65 B ASN 146 ? ASN 'GLYCOSYLATION SITE' # loop_ _pdbx_struct_assembly.id _pdbx_struct_assembly.details _pdbx_struct_assembly.method_details _pdbx_struct_assembly.oligomeric_details _pdbx_struct_assembly.oligomeric_count 1 author_and_software_defined_assembly PISA tetrameric 4 2 author_and_software_defined_assembly PISA tetrameric 4 # loop_ _pdbx_struct_assembly_gen.assembly_id _pdbx_struct_assembly_gen.oper_expression _pdbx_struct_assembly_gen.asym_id_list 1 1,2,3,4 A,C,D,E,F,G,H,I,J,K,T 2 1,5,6,7 B,L,M,N,O,P,Q,R,S,U # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'ABSA (A^2)' 22460 ? 1 MORE -86 ? 1 'SSA (A^2)' 47550 ? 2 'ABSA (A^2)' 18740 ? 2 MORE -79 ? 2 'SSA (A^2)' 48780 ? # loop_ _pdbx_struct_oper_list.id _pdbx_struct_oper_list.type _pdbx_struct_oper_list.name _pdbx_struct_oper_list.symmetry_operation _pdbx_struct_oper_list.matrix[1][1] _pdbx_struct_oper_list.matrix[1][2] _pdbx_struct_oper_list.matrix[1][3] _pdbx_struct_oper_list.vector[1] _pdbx_struct_oper_list.matrix[2][1] _pdbx_struct_oper_list.matrix[2][2] _pdbx_struct_oper_list.matrix[2][3] _pdbx_struct_oper_list.vector[2] _pdbx_struct_oper_list.matrix[3][1] _pdbx_struct_oper_list.matrix[3][2] _pdbx_struct_oper_list.matrix[3][3] _pdbx_struct_oper_list.vector[3] 1 'identity operation' 1_555 x,y,z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 2 'crystal symmetry operation' 2_555 -x,-y,z -1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 3 'crystal symmetry operation' 3_555 -y,x,z 0.0000000000 -1.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 4 'crystal symmetry operation' 4_555 y,-x,z 0.0000000000 1.0000000000 0.0000000000 0.0000000000 -1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 5 'crystal symmetry operation' 2_445 -x-1,-y-1,z -1.0000000000 0.0000000000 0.0000000000 -111.5130000000 0.0000000000 -1.0000000000 0.0000000000 -111.5130000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 6 'crystal symmetry operation' 3_455 -y-1,x,z 0.0000000000 -1.0000000000 0.0000000000 -111.5130000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 7 'crystal symmetry operation' 4_545 y,-x-1,z 0.0000000000 1.0000000000 0.0000000000 0.0000000000 -1.0000000000 0.0000000000 0.0000000000 -111.5130000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 # _pdbx_struct_special_symmetry.id 1 _pdbx_struct_special_symmetry.PDB_model_num 1 _pdbx_struct_special_symmetry.auth_asym_id A _pdbx_struct_special_symmetry.auth_comp_id HOH _pdbx_struct_special_symmetry.auth_seq_id 826 _pdbx_struct_special_symmetry.PDB_ins_code ? _pdbx_struct_special_symmetry.label_asym_id T _pdbx_struct_special_symmetry.label_comp_id HOH _pdbx_struct_special_symmetry.label_seq_id . # loop_ _pdbx_struct_conn_angle.id _pdbx_struct_conn_angle.ptnr1_label_atom_id _pdbx_struct_conn_angle.ptnr1_label_alt_id _pdbx_struct_conn_angle.ptnr1_label_asym_id _pdbx_struct_conn_angle.ptnr1_label_comp_id _pdbx_struct_conn_angle.ptnr1_label_seq_id _pdbx_struct_conn_angle.ptnr1_auth_atom_id _pdbx_struct_conn_angle.ptnr1_auth_asym_id _pdbx_struct_conn_angle.ptnr1_auth_comp_id _pdbx_struct_conn_angle.ptnr1_auth_seq_id _pdbx_struct_conn_angle.ptnr1_PDB_ins_code _pdbx_struct_conn_angle.ptnr1_symmetry _pdbx_struct_conn_angle.ptnr2_label_atom_id _pdbx_struct_conn_angle.ptnr2_label_alt_id _pdbx_struct_conn_angle.ptnr2_label_asym_id _pdbx_struct_conn_angle.ptnr2_label_comp_id _pdbx_struct_conn_angle.ptnr2_label_seq_id _pdbx_struct_conn_angle.ptnr2_auth_atom_id _pdbx_struct_conn_angle.ptnr2_auth_asym_id _pdbx_struct_conn_angle.ptnr2_auth_comp_id _pdbx_struct_conn_angle.ptnr2_auth_seq_id _pdbx_struct_conn_angle.ptnr2_PDB_ins_code _pdbx_struct_conn_angle.ptnr2_symmetry _pdbx_struct_conn_angle.ptnr3_label_atom_id _pdbx_struct_conn_angle.ptnr3_label_alt_id _pdbx_struct_conn_angle.ptnr3_label_asym_id _pdbx_struct_conn_angle.ptnr3_label_comp_id _pdbx_struct_conn_angle.ptnr3_label_seq_id _pdbx_struct_conn_angle.ptnr3_auth_atom_id _pdbx_struct_conn_angle.ptnr3_auth_asym_id _pdbx_struct_conn_angle.ptnr3_auth_comp_id _pdbx_struct_conn_angle.ptnr3_auth_seq_id _pdbx_struct_conn_angle.ptnr3_PDB_ins_code _pdbx_struct_conn_angle.ptnr3_symmetry _pdbx_struct_conn_angle.value _pdbx_struct_conn_angle.value_esd 1 O ? B ASP 213 ? B ASP 293 ? 1_555 CA ? L CA . ? B CA 601 ? 1_555 OD2 ? B ASP 243 ? B ASP 324 ? 1_555 93.2 ? 2 O ? B ASP 213 ? B ASP 293 ? 1_555 CA ? L CA . ? B CA 601 ? 1_555 O ? B TYR 268 ? B TYR 347 ? 1_555 90.7 ? 3 OD2 ? B ASP 243 ? B ASP 324 ? 1_555 CA ? L CA . ? B CA 601 ? 1_555 O ? B TYR 268 ? B TYR 347 ? 1_555 105.6 ? 4 O ? B ASP 213 ? B ASP 293 ? 1_555 CA ? L CA . ? B CA 601 ? 1_555 O ? B GLY 217 ? B GLY 297 ? 1_555 88.4 ? 5 OD2 ? B ASP 243 ? B ASP 324 ? 1_555 CA ? L CA . ? B CA 601 ? 1_555 O ? B GLY 217 ? B GLY 297 ? 1_555 92.7 ? 6 O ? B TYR 268 ? B TYR 347 ? 1_555 CA ? L CA . ? B CA 601 ? 1_555 O ? B GLY 217 ? B GLY 297 ? 1_555 161.7 ? 7 O ? B ASP 213 ? B ASP 293 ? 1_555 CA ? L CA . ? B CA 601 ? 1_555 O ? U HOH . ? B HOH 45 ? 1_555 174.3 ? 8 OD2 ? B ASP 243 ? B ASP 324 ? 1_555 CA ? L CA . ? B CA 601 ? 1_555 O ? U HOH . ? B HOH 45 ? 1_555 91.6 ? 9 O ? B TYR 268 ? B TYR 347 ? 1_555 CA ? L CA . ? B CA 601 ? 1_555 O ? U HOH . ? B HOH 45 ? 1_555 85.1 ? 10 O ? B GLY 217 ? B GLY 297 ? 1_555 CA ? L CA . ? B CA 601 ? 1_555 O ? U HOH . ? B HOH 45 ? 1_555 94.4 ? 11 O ? B ASP 213 ? B ASP 293 ? 1_555 CA ? L CA . ? B CA 601 ? 1_555 O ? U HOH . ? B HOH 6 ? 1_555 94.9 ? 12 OD2 ? B ASP 243 ? B ASP 324 ? 1_555 CA ? L CA . ? B CA 601 ? 1_555 O ? U HOH . ? B HOH 6 ? 1_555 168.4 ? 13 O ? B TYR 268 ? B TYR 347 ? 1_555 CA ? L CA . ? B CA 601 ? 1_555 O ? U HOH . ? B HOH 6 ? 1_555 82.6 ? 14 O ? B GLY 217 ? B GLY 297 ? 1_555 CA ? L CA . ? B CA 601 ? 1_555 O ? U HOH . ? B HOH 6 ? 1_555 79.3 ? 15 O ? U HOH . ? B HOH 45 ? 1_555 CA ? L CA . ? B CA 601 ? 1_555 O ? U HOH . ? B HOH 6 ? 1_555 80.8 ? 16 OD2 ? A ASP 243 ? A ASP 324 ? 1_555 CA ? C CA . ? A CA 601 ? 1_555 O ? A ASP 213 ? A ASP 293 ? 1_555 93.5 ? 17 OD2 ? A ASP 243 ? A ASP 324 ? 1_555 CA ? C CA . ? A CA 601 ? 1_555 O ? A TYR 268 ? A TYR 347 ? 1_555 104.3 ? 18 O ? A ASP 213 ? A ASP 293 ? 1_555 CA ? C CA . ? A CA 601 ? 1_555 O ? A TYR 268 ? A TYR 347 ? 1_555 90.9 ? 19 OD2 ? A ASP 243 ? A ASP 324 ? 1_555 CA ? C CA . ? A CA 601 ? 1_555 O ? A GLY 217 ? A GLY 297 ? 1_555 94.5 ? 20 O ? A ASP 213 ? A ASP 293 ? 1_555 CA ? C CA . ? A CA 601 ? 1_555 O ? A GLY 217 ? A GLY 297 ? 1_555 88.3 ? 21 O ? A TYR 268 ? A TYR 347 ? 1_555 CA ? C CA . ? A CA 601 ? 1_555 O ? A GLY 217 ? A GLY 297 ? 1_555 161.2 ? 22 OD2 ? A ASP 243 ? A ASP 324 ? 1_555 CA ? C CA . ? A CA 601 ? 1_555 O ? T HOH . ? A HOH 9 ? 1_555 169.7 ? 23 O ? A ASP 213 ? A ASP 293 ? 1_555 CA ? C CA . ? A CA 601 ? 1_555 O ? T HOH . ? A HOH 9 ? 1_555 94.0 ? 24 O ? A TYR 268 ? A TYR 347 ? 1_555 CA ? C CA . ? A CA 601 ? 1_555 O ? T HOH . ? A HOH 9 ? 1_555 82.8 ? 25 O ? A GLY 217 ? A GLY 297 ? 1_555 CA ? C CA . ? A CA 601 ? 1_555 O ? T HOH . ? A HOH 9 ? 1_555 78.6 ? 26 OD2 ? A ASP 243 ? A ASP 324 ? 1_555 CA ? C CA . ? A CA 601 ? 1_555 O ? T HOH . ? A HOH 11 ? 1_555 89.2 ? 27 O ? A ASP 213 ? A ASP 293 ? 1_555 CA ? C CA . ? A CA 601 ? 1_555 O ? T HOH . ? A HOH 11 ? 1_555 175.9 ? 28 O ? A TYR 268 ? A TYR 347 ? 1_555 CA ? C CA . ? A CA 601 ? 1_555 O ? T HOH . ? A HOH 11 ? 1_555 85.4 ? 29 O ? A GLY 217 ? A GLY 297 ? 1_555 CA ? C CA . ? A CA 601 ? 1_555 O ? T HOH . ? A HOH 11 ? 1_555 94.5 ? 30 O ? T HOH . ? A HOH 9 ? 1_555 CA ? C CA . ? A CA 601 ? 1_555 O ? T HOH . ? A HOH 11 ? 1_555 83.8 ? # _pdbx_audit_revision_history.ordinal 1 _pdbx_audit_revision_history.data_content_type 'Structure model' _pdbx_audit_revision_history.major_revision 1 _pdbx_audit_revision_history.minor_revision 0 _pdbx_audit_revision_history.revision_date 2011-08-10 # _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_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal ADSC 'data collection' Quantum ? 1 PHASER phasing . ? 2 PHENIX refinement '(phenix.refine: 1.5_2)' ? 3 HKL-2000 'data reduction' . ? 4 HKL-2000 'data scaling' . ? 5 # _pdbx_validate_close_contact.id 1 _pdbx_validate_close_contact.PDB_model_num 1 _pdbx_validate_close_contact.auth_atom_id_1 O4 _pdbx_validate_close_contact.auth_asym_id_1 B _pdbx_validate_close_contact.auth_comp_id_1 NAG _pdbx_validate_close_contact.auth_seq_id_1 804 _pdbx_validate_close_contact.PDB_ins_code_1 ? _pdbx_validate_close_contact.label_alt_id_1 ? _pdbx_validate_close_contact.auth_atom_id_2 C2 _pdbx_validate_close_contact.auth_asym_id_2 B _pdbx_validate_close_contact.auth_comp_id_2 BMA _pdbx_validate_close_contact.auth_seq_id_2 805 _pdbx_validate_close_contact.PDB_ins_code_2 ? _pdbx_validate_close_contact.label_alt_id_2 ? _pdbx_validate_close_contact.dist 2.13 # 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 ARG A 111 ? ? -131.32 -37.67 2 1 ALA A 177 ? ? -171.73 129.70 3 1 ASP A 200 ? ? -164.14 51.42 4 1 THR A 225 ? ? -142.26 -155.84 5 1 ALA A 250 ? ? -122.83 -169.83 6 1 PHE A 270 ? ? -152.62 61.67 7 1 CYS A 291 ? ? -120.82 -167.59 8 1 TRP A 295 ? ? -119.07 -100.24 9 1 THR A 387 ? ? -77.54 46.71 10 1 SER A 404 ? ? -106.75 -136.84 11 1 SER A 414 ? ? -96.74 39.80 12 1 TRP A 456 ? ? -166.67 -160.71 13 1 ARG B 111 ? ? -130.90 -37.44 14 1 ALA B 177 ? ? -173.75 128.50 15 1 ASP B 200 ? ? -165.85 47.93 16 1 THR B 225 ? ? -139.72 -156.19 17 1 ALA B 250 ? ? -124.57 -168.12 18 1 PHE B 270 ? ? -152.18 61.86 19 1 CYS B 291 ? ? -122.41 -168.53 20 1 TRP B 295 ? ? -119.53 -96.85 21 1 THR B 387 ? ? -77.30 47.46 22 1 SER B 404 ? ? -109.20 -135.78 23 1 TRP B 456 ? ? -164.83 -160.68 # 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 MET 471 ? A MET 395 2 1 Y 1 B MET 471 ? B MET 395 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 'CALCIUM ION' CA 3 N-ACETYL-D-GLUCOSAMINE NAG 4 BETA-D-MANNOSE BMA 5 GLYCEROL GOL 6 water HOH # 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 C 2 CA 1 601 601 CA CA A . D 3 NAG 1 801 801 NAG NAG A . E 3 NAG 2 802 802 NAG NAG A . F 3 NAG 1 803 803 NAG NAG A . G 3 NAG 2 804 804 NAG NAG A . H 4 BMA 3 805 805 BMA BMA A . I 5 GOL 1 1 1 GOL GOL A . J 5 GOL 1 472 472 GOL GOL A . K 5 GOL 1 473 473 GOL GOL A . L 2 CA 1 601 601 CA CA B . M 3 NAG 1 801 801 NAG NAG B . N 3 NAG 2 802 802 NAG NAG B . O 3 NAG 1 803 803 NAG NAG B . P 3 NAG 2 804 804 NAG NAG B . Q 4 BMA 3 805 805 BMA BMA B . R 5 GOL 1 1 1 GOL GOL B . S 5 GOL 1 472 472 GOL GOL B . T 6 HOH 1 2 2 HOH HOH A . T 6 HOH 2 3 3 HOH HOH A . T 6 HOH 3 5 5 HOH HOH A . T 6 HOH 4 8 8 HOH HOH A . T 6 HOH 5 9 9 HOH HOH A . T 6 HOH 6 10 10 HOH HOH A . T 6 HOH 7 11 11 HOH HOH A . T 6 HOH 8 12 12 HOH HOH A . T 6 HOH 9 13 13 HOH HOH A . T 6 HOH 10 16 16 HOH HOH A . T 6 HOH 11 19 19 HOH HOH A . T 6 HOH 12 20 20 HOH HOH A . T 6 HOH 13 21 21 HOH HOH A . T 6 HOH 14 27 27 HOH HOH A . T 6 HOH 15 28 28 HOH HOH A . T 6 HOH 16 30 30 HOH HOH A . T 6 HOH 17 32 32 HOH HOH A . T 6 HOH 18 35 35 HOH HOH A . T 6 HOH 19 39 39 HOH HOH A . T 6 HOH 20 40 40 HOH HOH A . T 6 HOH 21 43 43 HOH HOH A . T 6 HOH 22 46 46 HOH HOH A . T 6 HOH 23 49 49 HOH HOH A . T 6 HOH 24 50 50 HOH HOH A . T 6 HOH 25 53 53 HOH HOH A . T 6 HOH 26 54 54 HOH HOH A . T 6 HOH 27 55 55 HOH HOH A . T 6 HOH 28 56 56 HOH HOH A . T 6 HOH 29 57 57 HOH HOH A . T 6 HOH 30 58 58 HOH HOH A . T 6 HOH 31 59 59 HOH HOH A . T 6 HOH 32 60 60 HOH HOH A . T 6 HOH 33 63 63 HOH HOH A . T 6 HOH 34 64 64 HOH HOH A . T 6 HOH 35 68 68 HOH HOH A . T 6 HOH 36 72 72 HOH HOH A . T 6 HOH 37 74 74 HOH HOH A . T 6 HOH 38 75 75 HOH HOH A . T 6 HOH 39 77 77 HOH HOH A . T 6 HOH 40 79 79 HOH HOH A . T 6 HOH 41 80 80 HOH HOH A . T 6 HOH 42 307 307 HOH HOH A . T 6 HOH 43 386 386 HOH HOH A . T 6 HOH 44 474 474 HOH HOH A . T 6 HOH 45 475 475 HOH HOH A . T 6 HOH 46 476 476 HOH HOH A . T 6 HOH 47 477 477 HOH HOH A . T 6 HOH 48 478 478 HOH HOH A . T 6 HOH 49 479 479 HOH HOH A . T 6 HOH 50 480 480 HOH HOH A . T 6 HOH 51 481 481 HOH HOH A . T 6 HOH 52 482 482 HOH HOH A . T 6 HOH 53 483 483 HOH HOH A . T 6 HOH 54 484 484 HOH HOH A . T 6 HOH 55 485 485 HOH HOH A . T 6 HOH 56 486 486 HOH HOH A . T 6 HOH 57 487 487 HOH HOH A . T 6 HOH 58 488 488 HOH HOH A . T 6 HOH 59 489 489 HOH HOH A . T 6 HOH 60 490 490 HOH HOH A . T 6 HOH 61 491 491 HOH HOH A . T 6 HOH 62 492 492 HOH HOH A . T 6 HOH 63 493 493 HOH HOH A . T 6 HOH 64 494 494 HOH HOH A . T 6 HOH 65 495 495 HOH HOH A . T 6 HOH 66 496 496 HOH HOH A . T 6 HOH 67 497 497 HOH HOH A . T 6 HOH 68 498 498 HOH HOH A . T 6 HOH 69 499 499 HOH HOH A . T 6 HOH 70 500 500 HOH HOH A . T 6 HOH 71 501 501 HOH HOH A . T 6 HOH 72 502 502 HOH HOH A . T 6 HOH 73 503 503 HOH HOH A . T 6 HOH 74 504 504 HOH HOH A . T 6 HOH 75 505 505 HOH HOH A . T 6 HOH 76 506 506 HOH HOH A . T 6 HOH 77 507 507 HOH HOH A . T 6 HOH 78 508 508 HOH HOH A . T 6 HOH 79 509 509 HOH HOH A . T 6 HOH 80 510 510 HOH HOH A . T 6 HOH 81 511 511 HOH HOH A . T 6 HOH 82 512 512 HOH HOH A . T 6 HOH 83 513 513 HOH HOH A . T 6 HOH 84 514 514 HOH HOH A . T 6 HOH 85 515 515 HOH HOH A . T 6 HOH 86 516 516 HOH HOH A . T 6 HOH 87 517 517 HOH HOH A . T 6 HOH 88 518 518 HOH HOH A . T 6 HOH 89 519 519 HOH HOH A . T 6 HOH 90 520 520 HOH HOH A . T 6 HOH 91 521 521 HOH HOH A . T 6 HOH 92 522 522 HOH HOH A . T 6 HOH 93 523 523 HOH HOH A . T 6 HOH 94 524 524 HOH HOH A . T 6 HOH 95 525 525 HOH HOH A . T 6 HOH 96 526 526 HOH HOH A . T 6 HOH 97 527 527 HOH HOH A . T 6 HOH 98 528 528 HOH HOH A . T 6 HOH 99 529 529 HOH HOH A . T 6 HOH 100 530 530 HOH HOH A . T 6 HOH 101 531 531 HOH HOH A . T 6 HOH 102 532 532 HOH HOH A . T 6 HOH 103 533 533 HOH HOH A . T 6 HOH 104 534 534 HOH HOH A . T 6 HOH 105 535 535 HOH HOH A . T 6 HOH 106 536 536 HOH HOH A . T 6 HOH 107 537 537 HOH HOH A . T 6 HOH 108 538 538 HOH HOH A . T 6 HOH 109 539 539 HOH HOH A . T 6 HOH 110 540 540 HOH HOH A . T 6 HOH 111 541 541 HOH HOH A . T 6 HOH 112 542 542 HOH HOH A . T 6 HOH 113 543 543 HOH HOH A . T 6 HOH 114 544 544 HOH HOH A . T 6 HOH 115 545 545 HOH HOH A . T 6 HOH 116 546 546 HOH HOH A . T 6 HOH 117 547 547 HOH HOH A . T 6 HOH 118 548 548 HOH HOH A . T 6 HOH 119 549 549 HOH HOH A . T 6 HOH 120 550 550 HOH HOH A . T 6 HOH 121 551 551 HOH HOH A . T 6 HOH 122 552 552 HOH HOH A . T 6 HOH 123 553 553 HOH HOH A . T 6 HOH 124 554 554 HOH HOH A . T 6 HOH 125 555 555 HOH HOH A . T 6 HOH 126 556 556 HOH HOH A . T 6 HOH 127 557 557 HOH HOH A . T 6 HOH 128 558 558 HOH HOH A . T 6 HOH 129 559 559 HOH HOH A . T 6 HOH 130 560 560 HOH HOH A . T 6 HOH 131 561 561 HOH HOH A . T 6 HOH 132 562 562 HOH HOH A . T 6 HOH 133 563 563 HOH HOH A . T 6 HOH 134 564 564 HOH HOH A . T 6 HOH 135 565 565 HOH HOH A . T 6 HOH 136 566 566 HOH HOH A . T 6 HOH 137 567 567 HOH HOH A . T 6 HOH 138 568 568 HOH HOH A . T 6 HOH 139 569 569 HOH HOH A . T 6 HOH 140 570 570 HOH HOH A . T 6 HOH 141 571 571 HOH HOH A . T 6 HOH 142 572 572 HOH HOH A . T 6 HOH 143 573 573 HOH HOH A . T 6 HOH 144 574 574 HOH HOH A . T 6 HOH 145 575 575 HOH HOH A . T 6 HOH 146 576 576 HOH HOH A . T 6 HOH 147 577 577 HOH HOH A . T 6 HOH 148 578 578 HOH HOH A . T 6 HOH 149 579 579 HOH HOH A . T 6 HOH 150 580 580 HOH HOH A . T 6 HOH 151 581 581 HOH HOH A . T 6 HOH 152 582 582 HOH HOH A . T 6 HOH 153 583 583 HOH HOH A . T 6 HOH 154 584 584 HOH HOH A . T 6 HOH 155 585 585 HOH HOH A . T 6 HOH 156 586 586 HOH HOH A . T 6 HOH 157 587 587 HOH HOH A . T 6 HOH 158 588 588 HOH HOH A . T 6 HOH 159 589 589 HOH HOH A . T 6 HOH 160 590 590 HOH HOH A . T 6 HOH 161 591 591 HOH HOH A . T 6 HOH 162 592 592 HOH HOH A . T 6 HOH 163 593 593 HOH HOH A . T 6 HOH 164 594 594 HOH HOH A . T 6 HOH 165 595 595 HOH HOH A . T 6 HOH 166 596 596 HOH HOH A . T 6 HOH 167 597 597 HOH HOH A . T 6 HOH 168 598 598 HOH HOH A . T 6 HOH 169 599 599 HOH HOH A . T 6 HOH 170 600 600 HOH HOH A . T 6 HOH 171 602 602 HOH HOH A . T 6 HOH 172 603 603 HOH HOH A . T 6 HOH 173 604 604 HOH HOH A . T 6 HOH 174 605 605 HOH HOH A . T 6 HOH 175 606 606 HOH HOH A . T 6 HOH 176 607 607 HOH HOH A . T 6 HOH 177 608 608 HOH HOH A . T 6 HOH 178 609 609 HOH HOH A . T 6 HOH 179 610 610 HOH HOH A . T 6 HOH 180 611 611 HOH HOH A . T 6 HOH 181 612 612 HOH HOH A . T 6 HOH 182 613 613 HOH HOH A . T 6 HOH 183 614 614 HOH HOH A . T 6 HOH 184 615 615 HOH HOH A . T 6 HOH 185 616 616 HOH HOH A . T 6 HOH 186 617 617 HOH HOH A . T 6 HOH 187 618 618 HOH HOH A . T 6 HOH 188 619 619 HOH HOH A . T 6 HOH 189 620 620 HOH HOH A . T 6 HOH 190 621 621 HOH HOH A . T 6 HOH 191 622 622 HOH HOH A . T 6 HOH 192 623 623 HOH HOH A . T 6 HOH 193 624 624 HOH HOH A . T 6 HOH 194 625 625 HOH HOH A . T 6 HOH 195 626 626 HOH HOH A . T 6 HOH 196 627 627 HOH HOH A . T 6 HOH 197 628 628 HOH HOH A . T 6 HOH 198 629 629 HOH HOH A . T 6 HOH 199 630 630 HOH HOH A . T 6 HOH 200 631 631 HOH HOH A . T 6 HOH 201 632 632 HOH HOH A . T 6 HOH 202 633 633 HOH HOH A . T 6 HOH 203 634 634 HOH HOH A . T 6 HOH 204 635 635 HOH HOH A . T 6 HOH 205 636 636 HOH HOH A . T 6 HOH 206 637 637 HOH HOH A . T 6 HOH 207 638 638 HOH HOH A . T 6 HOH 208 639 639 HOH HOH A . T 6 HOH 209 640 640 HOH HOH A . T 6 HOH 210 641 641 HOH HOH A . T 6 HOH 211 642 642 HOH HOH A . T 6 HOH 212 643 643 HOH HOH A . T 6 HOH 213 644 644 HOH HOH A . T 6 HOH 214 645 645 HOH HOH A . T 6 HOH 215 646 646 HOH HOH A . T 6 HOH 216 647 647 HOH HOH A . T 6 HOH 217 648 648 HOH HOH A . T 6 HOH 218 649 649 HOH HOH A . T 6 HOH 219 650 650 HOH HOH A . T 6 HOH 220 651 651 HOH HOH A . T 6 HOH 221 652 652 HOH HOH A . T 6 HOH 222 653 653 HOH HOH A . T 6 HOH 223 654 654 HOH HOH A . T 6 HOH 224 655 655 HOH HOH A . T 6 HOH 225 656 656 HOH HOH A . T 6 HOH 226 657 657 HOH HOH A . T 6 HOH 227 658 658 HOH HOH A . T 6 HOH 228 659 659 HOH HOH A . T 6 HOH 229 660 660 HOH HOH A . T 6 HOH 230 661 661 HOH HOH A . T 6 HOH 231 662 662 HOH HOH A . T 6 HOH 232 663 663 HOH HOH A . T 6 HOH 233 664 664 HOH HOH A . T 6 HOH 234 665 665 HOH HOH A . T 6 HOH 235 666 666 HOH HOH A . T 6 HOH 236 667 667 HOH HOH A . T 6 HOH 237 668 668 HOH HOH A . T 6 HOH 238 669 669 HOH HOH A . T 6 HOH 239 670 670 HOH HOH A . T 6 HOH 240 671 671 HOH HOH A . T 6 HOH 241 672 672 HOH HOH A . T 6 HOH 242 673 673 HOH HOH A . T 6 HOH 243 674 674 HOH HOH A . T 6 HOH 244 675 675 HOH HOH A . T 6 HOH 245 676 676 HOH HOH A . T 6 HOH 246 677 677 HOH HOH A . T 6 HOH 247 678 678 HOH HOH A . T 6 HOH 248 679 679 HOH HOH A . T 6 HOH 249 680 680 HOH HOH A . T 6 HOH 250 681 681 HOH HOH A . T 6 HOH 251 682 682 HOH HOH A . T 6 HOH 252 683 683 HOH HOH A . T 6 HOH 253 684 684 HOH HOH A . T 6 HOH 254 685 685 HOH HOH A . T 6 HOH 255 686 686 HOH HOH A . T 6 HOH 256 687 687 HOH HOH A . T 6 HOH 257 688 688 HOH HOH A . T 6 HOH 258 689 689 HOH HOH A . T 6 HOH 259 690 690 HOH HOH A . T 6 HOH 260 691 691 HOH HOH A . T 6 HOH 261 692 692 HOH HOH A . T 6 HOH 262 693 693 HOH HOH A . T 6 HOH 263 694 694 HOH HOH A . T 6 HOH 264 695 695 HOH HOH A . T 6 HOH 265 696 696 HOH HOH A . T 6 HOH 266 697 697 HOH HOH A . T 6 HOH 267 698 698 HOH HOH A . T 6 HOH 268 699 699 HOH HOH A . T 6 HOH 269 700 700 HOH HOH A . T 6 HOH 270 701 701 HOH HOH A . T 6 HOH 271 702 702 HOH HOH A . T 6 HOH 272 703 703 HOH HOH A . T 6 HOH 273 704 704 HOH HOH A . T 6 HOH 274 705 705 HOH HOH A . T 6 HOH 275 706 706 HOH HOH A . T 6 HOH 276 707 707 HOH HOH A . T 6 HOH 277 708 708 HOH HOH A . T 6 HOH 278 709 709 HOH HOH A . T 6 HOH 279 710 710 HOH HOH A . T 6 HOH 280 711 711 HOH HOH A . T 6 HOH 281 712 712 HOH HOH A . T 6 HOH 282 713 713 HOH HOH A . T 6 HOH 283 714 714 HOH HOH A . T 6 HOH 284 715 715 HOH HOH A . T 6 HOH 285 716 716 HOH HOH A . T 6 HOH 286 717 717 HOH HOH A . T 6 HOH 287 718 718 HOH HOH A . T 6 HOH 288 719 719 HOH HOH A . T 6 HOH 289 720 720 HOH HOH A . T 6 HOH 290 721 721 HOH HOH A . T 6 HOH 291 722 722 HOH HOH A . T 6 HOH 292 723 723 HOH HOH A . T 6 HOH 293 724 724 HOH HOH A . T 6 HOH 294 725 725 HOH HOH A . T 6 HOH 295 726 726 HOH HOH A . T 6 HOH 296 727 727 HOH HOH A . T 6 HOH 297 728 728 HOH HOH A . T 6 HOH 298 729 729 HOH HOH A . T 6 HOH 299 730 730 HOH HOH A . T 6 HOH 300 731 731 HOH HOH A . T 6 HOH 301 732 732 HOH HOH A . T 6 HOH 302 733 733 HOH HOH A . T 6 HOH 303 734 734 HOH HOH A . T 6 HOH 304 735 735 HOH HOH A . T 6 HOH 305 736 736 HOH HOH A . T 6 HOH 306 737 737 HOH HOH A . T 6 HOH 307 738 738 HOH HOH A . T 6 HOH 308 739 739 HOH HOH A . T 6 HOH 309 740 740 HOH HOH A . T 6 HOH 310 741 741 HOH HOH A . T 6 HOH 311 742 742 HOH HOH A . T 6 HOH 312 743 743 HOH HOH A . T 6 HOH 313 744 744 HOH HOH A . T 6 HOH 314 745 745 HOH HOH A . T 6 HOH 315 746 746 HOH HOH A . T 6 HOH 316 747 747 HOH HOH A . T 6 HOH 317 748 748 HOH HOH A . T 6 HOH 318 749 749 HOH HOH A . T 6 HOH 319 750 750 HOH HOH A . T 6 HOH 320 751 751 HOH HOH A . T 6 HOH 321 752 752 HOH HOH A . T 6 HOH 322 753 753 HOH HOH A . T 6 HOH 323 754 754 HOH HOH A . T 6 HOH 324 755 755 HOH HOH A . T 6 HOH 325 756 756 HOH HOH A . T 6 HOH 326 757 757 HOH HOH A . T 6 HOH 327 758 758 HOH HOH A . T 6 HOH 328 759 759 HOH HOH A . T 6 HOH 329 760 760 HOH HOH A . T 6 HOH 330 761 761 HOH HOH A . T 6 HOH 331 762 762 HOH HOH A . T 6 HOH 332 763 763 HOH HOH A . T 6 HOH 333 764 764 HOH HOH A . T 6 HOH 334 765 765 HOH HOH A . T 6 HOH 335 766 766 HOH HOH A . T 6 HOH 336 767 767 HOH HOH A . T 6 HOH 337 768 768 HOH HOH A . T 6 HOH 338 769 769 HOH HOH A . T 6 HOH 339 770 770 HOH HOH A . T 6 HOH 340 771 771 HOH HOH A . T 6 HOH 341 772 772 HOH HOH A . T 6 HOH 342 773 773 HOH HOH A . T 6 HOH 343 774 774 HOH HOH A . T 6 HOH 344 775 775 HOH HOH A . T 6 HOH 345 776 776 HOH HOH A . T 6 HOH 346 777 777 HOH HOH A . T 6 HOH 347 778 778 HOH HOH A . T 6 HOH 348 779 779 HOH HOH A . T 6 HOH 349 780 780 HOH HOH A . T 6 HOH 350 781 781 HOH HOH A . T 6 HOH 351 782 782 HOH HOH A . T 6 HOH 352 783 783 HOH HOH A . T 6 HOH 353 784 784 HOH HOH A . T 6 HOH 354 785 785 HOH HOH A . T 6 HOH 355 786 786 HOH HOH A . T 6 HOH 356 787 787 HOH HOH A . T 6 HOH 357 788 788 HOH HOH A . T 6 HOH 358 789 789 HOH HOH A . T 6 HOH 359 790 790 HOH HOH A . T 6 HOH 360 791 791 HOH HOH A . T 6 HOH 361 792 792 HOH HOH A . T 6 HOH 362 793 793 HOH HOH A . T 6 HOH 363 794 794 HOH HOH A . T 6 HOH 364 795 795 HOH HOH A . T 6 HOH 365 796 796 HOH HOH A . T 6 HOH 366 797 797 HOH HOH A . T 6 HOH 367 798 798 HOH HOH A . T 6 HOH 368 799 799 HOH HOH A . T 6 HOH 369 800 800 HOH HOH A . T 6 HOH 370 806 662 HOH HOH A . T 6 HOH 371 807 807 HOH HOH A . T 6 HOH 372 808 808 HOH HOH A . T 6 HOH 373 809 809 HOH HOH A . T 6 HOH 374 810 810 HOH HOH A . T 6 HOH 375 811 811 HOH HOH A . T 6 HOH 376 812 812 HOH HOH A . T 6 HOH 377 813 813 HOH HOH A . T 6 HOH 378 814 814 HOH HOH A . T 6 HOH 379 815 815 HOH HOH A . T 6 HOH 380 816 816 HOH HOH A . T 6 HOH 381 817 817 HOH HOH A . T 6 HOH 382 818 818 HOH HOH A . T 6 HOH 383 819 819 HOH HOH A . T 6 HOH 384 820 820 HOH HOH A . T 6 HOH 385 821 821 HOH HOH A . T 6 HOH 386 822 822 HOH HOH A . T 6 HOH 387 823 823 HOH HOH A . T 6 HOH 388 824 824 HOH HOH A . T 6 HOH 389 825 825 HOH HOH A . T 6 HOH 390 826 826 HOH HOH A . T 6 HOH 391 827 827 HOH HOH A . T 6 HOH 392 828 828 HOH HOH A . T 6 HOH 393 829 829 HOH HOH A . T 6 HOH 394 830 830 HOH HOH A . T 6 HOH 395 831 831 HOH HOH A . T 6 HOH 396 832 832 HOH HOH A . T 6 HOH 397 833 833 HOH HOH A . T 6 HOH 398 834 834 HOH HOH A . T 6 HOH 399 835 825 HOH HOH A . T 6 HOH 400 836 836 HOH HOH A . T 6 HOH 401 838 838 HOH HOH A . T 6 HOH 402 840 840 HOH HOH A . T 6 HOH 403 841 841 HOH HOH A . T 6 HOH 404 842 842 HOH HOH A . T 6 HOH 405 843 843 HOH HOH A . T 6 HOH 406 847 847 HOH HOH A . T 6 HOH 407 848 848 HOH HOH A . T 6 HOH 408 849 849 HOH HOH A . T 6 HOH 409 851 851 HOH HOH A . T 6 HOH 410 854 854 HOH HOH A . T 6 HOH 411 855 855 HOH HOH A . T 6 HOH 412 857 857 HOH HOH A . T 6 HOH 413 858 858 HOH HOH A . T 6 HOH 414 860 860 HOH HOH A . T 6 HOH 415 861 861 HOH HOH A . T 6 HOH 416 863 863 HOH HOH A . T 6 HOH 417 865 865 HOH HOH A . T 6 HOH 418 868 868 HOH HOH A . T 6 HOH 419 872 872 HOH HOH A . T 6 HOH 420 875 875 HOH HOH A . T 6 HOH 421 876 876 HOH HOH A . T 6 HOH 422 877 877 HOH HOH A . T 6 HOH 423 878 878 HOH HOH A . T 6 HOH 424 879 879 HOH HOH A . T 6 HOH 425 881 881 HOH HOH A . T 6 HOH 426 886 886 HOH HOH A . T 6 HOH 427 888 888 HOH HOH A . T 6 HOH 428 892 892 HOH HOH A . T 6 HOH 429 893 893 HOH HOH A . T 6 HOH 430 894 894 HOH HOH A . T 6 HOH 431 900 900 HOH HOH A . T 6 HOH 432 905 905 HOH HOH A . T 6 HOH 433 906 906 HOH HOH A . T 6 HOH 434 907 907 HOH HOH A . T 6 HOH 435 908 908 HOH HOH A . T 6 HOH 436 910 910 HOH HOH A . T 6 HOH 437 912 912 HOH HOH A . T 6 HOH 438 913 913 HOH HOH A . T 6 HOH 439 914 914 HOH HOH A . T 6 HOH 440 915 915 HOH HOH A . T 6 HOH 441 918 918 HOH HOH A . T 6 HOH 442 919 919 HOH HOH A . T 6 HOH 443 920 920 HOH HOH A . T 6 HOH 444 922 922 HOH HOH A . T 6 HOH 445 924 924 HOH HOH A . T 6 HOH 446 925 925 HOH HOH A . T 6 HOH 447 926 926 HOH HOH A . T 6 HOH 448 927 927 HOH HOH A . T 6 HOH 449 928 928 HOH HOH A . T 6 HOH 450 929 929 HOH HOH A . T 6 HOH 451 930 930 HOH HOH A . T 6 HOH 452 932 932 HOH HOH A . T 6 HOH 453 934 934 HOH HOH A . T 6 HOH 454 935 935 HOH HOH A . T 6 HOH 455 937 937 HOH HOH A . T 6 HOH 456 938 938 HOH HOH A . T 6 HOH 457 939 939 HOH HOH A . T 6 HOH 458 942 942 HOH HOH A . T 6 HOH 459 943 943 HOH HOH A . T 6 HOH 460 945 945 HOH HOH A . T 6 HOH 461 947 947 HOH HOH A . U 6 HOH 1 4 4 HOH HOH B . U 6 HOH 2 6 6 HOH HOH B . U 6 HOH 3 7 7 HOH HOH B . U 6 HOH 4 14 14 HOH HOH B . U 6 HOH 5 15 15 HOH HOH B . U 6 HOH 6 17 17 HOH HOH B . U 6 HOH 7 18 18 HOH HOH B . U 6 HOH 8 22 22 HOH HOH B . U 6 HOH 9 23 23 HOH HOH B . U 6 HOH 10 24 24 HOH HOH B . U 6 HOH 11 25 25 HOH HOH B . U 6 HOH 12 26 26 HOH HOH B . U 6 HOH 13 29 29 HOH HOH B . U 6 HOH 14 31 31 HOH HOH B . U 6 HOH 15 33 33 HOH HOH B . U 6 HOH 16 34 34 HOH HOH B . U 6 HOH 17 36 36 HOH HOH B . U 6 HOH 18 37 37 HOH HOH B . U 6 HOH 19 38 38 HOH HOH B . U 6 HOH 20 41 41 HOH HOH B . U 6 HOH 21 42 42 HOH HOH B . U 6 HOH 22 44 44 HOH HOH B . U 6 HOH 23 45 45 HOH HOH B . U 6 HOH 24 47 47 HOH HOH B . U 6 HOH 25 48 48 HOH HOH B . U 6 HOH 26 51 51 HOH HOH B . U 6 HOH 27 52 52 HOH HOH B . U 6 HOH 28 61 61 HOH HOH B . U 6 HOH 29 62 62 HOH HOH B . U 6 HOH 30 65 65 HOH HOH B . U 6 HOH 31 66 66 HOH HOH B . U 6 HOH 32 67 67 HOH HOH B . U 6 HOH 33 69 69 HOH HOH B . U 6 HOH 34 70 70 HOH HOH B . U 6 HOH 35 71 71 HOH HOH B . U 6 HOH 36 73 73 HOH HOH B . U 6 HOH 37 76 76 HOH HOH B . U 6 HOH 38 78 78 HOH HOH B . U 6 HOH 39 81 81 HOH HOH B . U 6 HOH 40 473 473 HOH HOH B . U 6 HOH 41 474 474 HOH HOH B . U 6 HOH 42 475 475 HOH HOH B . U 6 HOH 43 476 476 HOH HOH B . U 6 HOH 44 477 477 HOH HOH B . U 6 HOH 45 478 478 HOH HOH B . U 6 HOH 46 479 479 HOH HOH B . U 6 HOH 47 480 480 HOH HOH B . U 6 HOH 48 481 481 HOH HOH B . U 6 HOH 49 482 482 HOH HOH B . U 6 HOH 50 483 483 HOH HOH B . U 6 HOH 51 484 484 HOH HOH B . U 6 HOH 52 485 485 HOH HOH B . U 6 HOH 53 486 486 HOH HOH B . U 6 HOH 54 487 487 HOH HOH B . U 6 HOH 55 488 488 HOH HOH B . U 6 HOH 56 489 489 HOH HOH B . U 6 HOH 57 490 490 HOH HOH B . U 6 HOH 58 491 491 HOH HOH B . U 6 HOH 59 492 492 HOH HOH B . U 6 HOH 60 493 493 HOH HOH B . U 6 HOH 61 494 494 HOH HOH B . U 6 HOH 62 495 495 HOH HOH B . U 6 HOH 63 496 496 HOH HOH B . U 6 HOH 64 497 497 HOH HOH B . U 6 HOH 65 498 498 HOH HOH B . U 6 HOH 66 499 499 HOH HOH B . U 6 HOH 67 500 500 HOH HOH B . U 6 HOH 68 501 501 HOH HOH B . U 6 HOH 69 502 502 HOH HOH B . U 6 HOH 70 503 503 HOH HOH B . U 6 HOH 71 504 504 HOH HOH B . U 6 HOH 72 505 505 HOH HOH B . U 6 HOH 73 506 506 HOH HOH B . U 6 HOH 74 507 507 HOH HOH B . U 6 HOH 75 508 508 HOH HOH B . U 6 HOH 76 509 509 HOH HOH B . U 6 HOH 77 510 510 HOH HOH B . U 6 HOH 78 511 511 HOH HOH B . U 6 HOH 79 512 512 HOH HOH B . U 6 HOH 80 513 513 HOH HOH B . U 6 HOH 81 514 514 HOH HOH B . U 6 HOH 82 515 515 HOH HOH B . U 6 HOH 83 516 516 HOH HOH B . U 6 HOH 84 517 517 HOH HOH B . U 6 HOH 85 518 518 HOH HOH B . U 6 HOH 86 519 519 HOH HOH B . U 6 HOH 87 520 520 HOH HOH B . U 6 HOH 88 521 521 HOH HOH B . U 6 HOH 89 522 522 HOH HOH B . U 6 HOH 90 523 523 HOH HOH B . U 6 HOH 91 524 524 HOH HOH B . U 6 HOH 92 525 525 HOH HOH B . U 6 HOH 93 526 526 HOH HOH B . U 6 HOH 94 527 527 HOH HOH B . U 6 HOH 95 528 528 HOH HOH B . U 6 HOH 96 529 529 HOH HOH B . U 6 HOH 97 530 530 HOH HOH B . U 6 HOH 98 531 531 HOH HOH B . U 6 HOH 99 532 532 HOH HOH B . U 6 HOH 100 533 533 HOH HOH B . U 6 HOH 101 534 534 HOH HOH B . U 6 HOH 102 535 535 HOH HOH B . U 6 HOH 103 536 536 HOH HOH B . U 6 HOH 104 537 537 HOH HOH B . U 6 HOH 105 538 538 HOH HOH B . U 6 HOH 106 539 539 HOH HOH B . U 6 HOH 107 540 540 HOH HOH B . U 6 HOH 108 541 541 HOH HOH B . U 6 HOH 109 542 542 HOH HOH B . U 6 HOH 110 543 543 HOH HOH B . U 6 HOH 111 544 544 HOH HOH B . U 6 HOH 112 545 545 HOH HOH B . U 6 HOH 113 546 546 HOH HOH B . U 6 HOH 114 547 547 HOH HOH B . U 6 HOH 115 548 548 HOH HOH B . U 6 HOH 116 549 549 HOH HOH B . U 6 HOH 117 550 550 HOH HOH B . U 6 HOH 118 551 551 HOH HOH B . U 6 HOH 119 552 552 HOH HOH B . U 6 HOH 120 553 553 HOH HOH B . U 6 HOH 121 554 554 HOH HOH B . U 6 HOH 122 555 555 HOH HOH B . U 6 HOH 123 556 556 HOH HOH B . U 6 HOH 124 557 557 HOH HOH B . U 6 HOH 125 558 558 HOH HOH B . U 6 HOH 126 559 559 HOH HOH B . U 6 HOH 127 560 560 HOH HOH B . U 6 HOH 128 561 561 HOH HOH B . U 6 HOH 129 562 562 HOH HOH B . U 6 HOH 130 563 563 HOH HOH B . U 6 HOH 131 564 564 HOH HOH B . U 6 HOH 132 565 565 HOH HOH B . U 6 HOH 133 566 566 HOH HOH B . U 6 HOH 134 567 567 HOH HOH B . U 6 HOH 135 568 568 HOH HOH B . U 6 HOH 136 569 569 HOH HOH B . U 6 HOH 137 570 570 HOH HOH B . U 6 HOH 138 571 571 HOH HOH B . U 6 HOH 139 572 572 HOH HOH B . U 6 HOH 140 573 573 HOH HOH B . U 6 HOH 141 574 574 HOH HOH B . U 6 HOH 142 575 575 HOH HOH B . U 6 HOH 143 576 576 HOH HOH B . U 6 HOH 144 577 577 HOH HOH B . U 6 HOH 145 578 578 HOH HOH B . U 6 HOH 146 579 579 HOH HOH B . U 6 HOH 147 580 580 HOH HOH B . U 6 HOH 148 581 581 HOH HOH B . U 6 HOH 149 582 582 HOH HOH B . U 6 HOH 150 583 583 HOH HOH B . U 6 HOH 151 584 584 HOH HOH B . U 6 HOH 152 585 585 HOH HOH B . U 6 HOH 153 586 586 HOH HOH B . U 6 HOH 154 587 587 HOH HOH B . U 6 HOH 155 588 588 HOH HOH B . U 6 HOH 156 589 589 HOH HOH B . U 6 HOH 157 590 590 HOH HOH B . U 6 HOH 158 591 591 HOH HOH B . U 6 HOH 159 592 592 HOH HOH B . U 6 HOH 160 593 593 HOH HOH B . U 6 HOH 161 594 594 HOH HOH B . U 6 HOH 162 595 595 HOH HOH B . U 6 HOH 163 596 596 HOH HOH B . U 6 HOH 164 597 597 HOH HOH B . U 6 HOH 165 598 598 HOH HOH B . U 6 HOH 166 599 599 HOH HOH B . U 6 HOH 167 600 600 HOH HOH B . U 6 HOH 168 602 602 HOH HOH B . U 6 HOH 169 603 603 HOH HOH B . U 6 HOH 170 604 604 HOH HOH B . U 6 HOH 171 605 605 HOH HOH B . U 6 HOH 172 606 606 HOH HOH B . U 6 HOH 173 607 607 HOH HOH B . U 6 HOH 174 608 608 HOH HOH B . U 6 HOH 175 609 609 HOH HOH B . U 6 HOH 176 610 610 HOH HOH B . U 6 HOH 177 611 611 HOH HOH B . U 6 HOH 178 612 612 HOH HOH B . U 6 HOH 179 613 613 HOH HOH B . U 6 HOH 180 614 614 HOH HOH B . U 6 HOH 181 615 615 HOH HOH B . U 6 HOH 182 616 616 HOH HOH B . U 6 HOH 183 617 617 HOH HOH B . U 6 HOH 184 618 618 HOH HOH B . U 6 HOH 185 619 619 HOH HOH B . U 6 HOH 186 620 620 HOH HOH B . U 6 HOH 187 621 621 HOH HOH B . U 6 HOH 188 622 622 HOH HOH B . U 6 HOH 189 623 623 HOH HOH B . U 6 HOH 190 624 624 HOH HOH B . U 6 HOH 191 625 625 HOH HOH B . U 6 HOH 192 626 626 HOH HOH B . U 6 HOH 193 627 627 HOH HOH B . U 6 HOH 194 628 628 HOH HOH B . U 6 HOH 195 629 629 HOH HOH B . U 6 HOH 196 630 630 HOH HOH B . U 6 HOH 197 631 631 HOH HOH B . U 6 HOH 198 632 632 HOH HOH B . U 6 HOH 199 633 633 HOH HOH B . U 6 HOH 200 634 634 HOH HOH B . U 6 HOH 201 635 635 HOH HOH B . U 6 HOH 202 636 636 HOH HOH B . U 6 HOH 203 637 637 HOH HOH B . U 6 HOH 204 638 638 HOH HOH B . U 6 HOH 205 639 639 HOH HOH B . U 6 HOH 206 640 640 HOH HOH B . U 6 HOH 207 641 641 HOH HOH B . U 6 HOH 208 642 642 HOH HOH B . U 6 HOH 209 643 643 HOH HOH B . U 6 HOH 210 644 644 HOH HOH B . U 6 HOH 211 645 645 HOH HOH B . U 6 HOH 212 646 646 HOH HOH B . U 6 HOH 213 647 647 HOH HOH B . U 6 HOH 214 648 648 HOH HOH B . U 6 HOH 215 649 649 HOH HOH B . U 6 HOH 216 650 650 HOH HOH B . U 6 HOH 217 651 651 HOH HOH B . U 6 HOH 218 652 652 HOH HOH B . U 6 HOH 219 653 653 HOH HOH B . U 6 HOH 220 654 654 HOH HOH B . U 6 HOH 221 655 655 HOH HOH B . U 6 HOH 222 656 656 HOH HOH B . U 6 HOH 223 657 657 HOH HOH B . U 6 HOH 224 658 658 HOH HOH B . U 6 HOH 225 659 659 HOH HOH B . U 6 HOH 226 660 660 HOH HOH B . U 6 HOH 227 661 661 HOH HOH B . U 6 HOH 228 663 663 HOH HOH B . U 6 HOH 229 664 664 HOH HOH B . U 6 HOH 230 665 665 HOH HOH B . U 6 HOH 231 666 666 HOH HOH B . U 6 HOH 232 667 667 HOH HOH B . U 6 HOH 233 668 668 HOH HOH B . U 6 HOH 234 669 669 HOH HOH B . U 6 HOH 235 670 670 HOH HOH B . U 6 HOH 236 671 671 HOH HOH B . U 6 HOH 237 672 672 HOH HOH B . U 6 HOH 238 673 673 HOH HOH B . U 6 HOH 239 674 674 HOH HOH B . U 6 HOH 240 675 675 HOH HOH B . U 6 HOH 241 676 676 HOH HOH B . U 6 HOH 242 677 677 HOH HOH B . U 6 HOH 243 678 678 HOH HOH B . U 6 HOH 244 679 679 HOH HOH B . U 6 HOH 245 680 680 HOH HOH B . U 6 HOH 246 681 681 HOH HOH B . U 6 HOH 247 682 682 HOH HOH B . U 6 HOH 248 683 683 HOH HOH B . U 6 HOH 249 684 684 HOH HOH B . U 6 HOH 250 685 685 HOH HOH B . U 6 HOH 251 686 686 HOH HOH B . U 6 HOH 252 687 687 HOH HOH B . U 6 HOH 253 688 688 HOH HOH B . U 6 HOH 254 689 689 HOH HOH B . U 6 HOH 255 690 690 HOH HOH B . U 6 HOH 256 691 691 HOH HOH B . U 6 HOH 257 692 692 HOH HOH B . U 6 HOH 258 693 693 HOH HOH B . U 6 HOH 259 694 694 HOH HOH B . U 6 HOH 260 695 695 HOH HOH B . U 6 HOH 261 696 696 HOH HOH B . U 6 HOH 262 697 697 HOH HOH B . U 6 HOH 263 698 698 HOH HOH B . U 6 HOH 264 699 699 HOH HOH B . U 6 HOH 265 700 700 HOH HOH B . U 6 HOH 266 701 701 HOH HOH B . U 6 HOH 267 702 702 HOH HOH B . U 6 HOH 268 703 703 HOH HOH B . U 6 HOH 269 704 704 HOH HOH B . U 6 HOH 270 705 705 HOH HOH B . U 6 HOH 271 706 706 HOH HOH B . U 6 HOH 272 707 707 HOH HOH B . U 6 HOH 273 708 708 HOH HOH B . U 6 HOH 274 709 709 HOH HOH B . U 6 HOH 275 710 710 HOH HOH B . U 6 HOH 276 711 711 HOH HOH B . U 6 HOH 277 712 712 HOH HOH B . U 6 HOH 278 713 713 HOH HOH B . U 6 HOH 279 714 714 HOH HOH B . U 6 HOH 280 715 715 HOH HOH B . U 6 HOH 281 716 716 HOH HOH B . U 6 HOH 282 717 717 HOH HOH B . U 6 HOH 283 718 718 HOH HOH B . U 6 HOH 284 719 719 HOH HOH B . U 6 HOH 285 720 720 HOH HOH B . U 6 HOH 286 721 721 HOH HOH B . U 6 HOH 287 722 722 HOH HOH B . U 6 HOH 288 723 723 HOH HOH B . U 6 HOH 289 724 724 HOH HOH B . U 6 HOH 290 725 725 HOH HOH B . U 6 HOH 291 726 726 HOH HOH B . U 6 HOH 292 727 727 HOH HOH B . U 6 HOH 293 728 728 HOH HOH B . U 6 HOH 294 729 729 HOH HOH B . U 6 HOH 295 730 730 HOH HOH B . U 6 HOH 296 731 731 HOH HOH B . U 6 HOH 297 732 732 HOH HOH B . U 6 HOH 298 733 733 HOH HOH B . U 6 HOH 299 734 734 HOH HOH B . U 6 HOH 300 735 735 HOH HOH B . U 6 HOH 301 736 736 HOH HOH B . U 6 HOH 302 737 737 HOH HOH B . U 6 HOH 303 738 738 HOH HOH B . U 6 HOH 304 739 739 HOH HOH B . U 6 HOH 305 740 740 HOH HOH B . U 6 HOH 306 741 741 HOH HOH B . U 6 HOH 307 742 742 HOH HOH B . U 6 HOH 308 743 743 HOH HOH B . U 6 HOH 309 744 744 HOH HOH B . U 6 HOH 310 745 745 HOH HOH B . U 6 HOH 311 746 746 HOH HOH B . U 6 HOH 312 747 747 HOH HOH B . U 6 HOH 313 748 748 HOH HOH B . U 6 HOH 314 749 749 HOH HOH B . U 6 HOH 315 750 750 HOH HOH B . U 6 HOH 316 752 752 HOH HOH B . U 6 HOH 317 753 753 HOH HOH B . U 6 HOH 318 754 754 HOH HOH B . U 6 HOH 319 755 755 HOH HOH B . U 6 HOH 320 756 756 HOH HOH B . U 6 HOH 321 757 757 HOH HOH B . U 6 HOH 322 758 758 HOH HOH B . U 6 HOH 323 759 759 HOH HOH B . U 6 HOH 324 760 760 HOH HOH B . U 6 HOH 325 761 761 HOH HOH B . U 6 HOH 326 762 762 HOH HOH B . U 6 HOH 327 763 763 HOH HOH B . U 6 HOH 328 764 764 HOH HOH B . U 6 HOH 329 765 765 HOH HOH B . U 6 HOH 330 766 766 HOH HOH B . U 6 HOH 331 767 767 HOH HOH B . U 6 HOH 332 768 768 HOH HOH B . U 6 HOH 333 769 769 HOH HOH B . U 6 HOH 334 770 770 HOH HOH B . U 6 HOH 335 771 771 HOH HOH B . U 6 HOH 336 772 772 HOH HOH B . U 6 HOH 337 773 773 HOH HOH B . U 6 HOH 338 774 774 HOH HOH B . U 6 HOH 339 775 775 HOH HOH B . U 6 HOH 340 776 776 HOH HOH B . U 6 HOH 341 777 777 HOH HOH B . U 6 HOH 342 778 778 HOH HOH B . U 6 HOH 343 779 779 HOH HOH B . U 6 HOH 344 780 780 HOH HOH B . U 6 HOH 345 781 781 HOH HOH B . U 6 HOH 346 782 782 HOH HOH B . U 6 HOH 347 783 783 HOH HOH B . U 6 HOH 348 784 784 HOH HOH B . U 6 HOH 349 785 785 HOH HOH B . U 6 HOH 350 786 786 HOH HOH B . U 6 HOH 351 787 787 HOH HOH B . U 6 HOH 352 788 788 HOH HOH B . U 6 HOH 353 789 789 HOH HOH B . U 6 HOH 354 790 790 HOH HOH B . U 6 HOH 355 791 791 HOH HOH B . U 6 HOH 356 792 792 HOH HOH B . U 6 HOH 357 793 793 HOH HOH B . U 6 HOH 358 794 794 HOH HOH B . U 6 HOH 359 795 795 HOH HOH B . U 6 HOH 360 796 796 HOH HOH B . U 6 HOH 361 797 797 HOH HOH B . U 6 HOH 362 798 798 HOH HOH B . U 6 HOH 363 799 799 HOH HOH B . U 6 HOH 364 800 800 HOH HOH B . U 6 HOH 365 807 807 HOH HOH B . U 6 HOH 366 808 808 HOH HOH B . U 6 HOH 367 809 809 HOH HOH B . U 6 HOH 368 810 810 HOH HOH B . U 6 HOH 369 811 811 HOH HOH B . U 6 HOH 370 812 812 HOH HOH B . U 6 HOH 371 813 813 HOH HOH B . U 6 HOH 372 814 814 HOH HOH B . U 6 HOH 373 815 815 HOH HOH B . U 6 HOH 374 816 816 HOH HOH B . U 6 HOH 375 817 817 HOH HOH B . U 6 HOH 376 818 818 HOH HOH B . U 6 HOH 377 819 819 HOH HOH B . U 6 HOH 378 820 820 HOH HOH B . U 6 HOH 379 821 821 HOH HOH B . U 6 HOH 380 822 822 HOH HOH B . U 6 HOH 381 823 823 HOH HOH B . U 6 HOH 382 824 824 HOH HOH B . U 6 HOH 383 827 827 HOH HOH B . U 6 HOH 384 828 828 HOH HOH B . U 6 HOH 385 829 829 HOH HOH B . U 6 HOH 386 830 830 HOH HOH B . U 6 HOH 387 831 831 HOH HOH B . U 6 HOH 388 832 832 HOH HOH B . U 6 HOH 389 833 833 HOH HOH B . U 6 HOH 390 834 834 HOH HOH B . U 6 HOH 391 835 835 HOH HOH B . U 6 HOH 392 836 836 HOH HOH B . U 6 HOH 393 837 837 HOH HOH B . U 6 HOH 394 838 838 HOH HOH B . U 6 HOH 395 839 839 HOH HOH B . U 6 HOH 396 840 840 HOH HOH B . U 6 HOH 397 841 841 HOH HOH B . U 6 HOH 398 842 842 HOH HOH B . U 6 HOH 399 843 843 HOH HOH B . U 6 HOH 400 844 844 HOH HOH B . U 6 HOH 401 845 845 HOH HOH B . U 6 HOH 402 846 846 HOH HOH B . U 6 HOH 403 847 847 HOH HOH B . U 6 HOH 404 848 848 HOH HOH B . U 6 HOH 405 849 849 HOH HOH B . U 6 HOH 406 850 850 HOH HOH B . U 6 HOH 407 851 851 HOH HOH B . U 6 HOH 408 852 852 HOH HOH B . U 6 HOH 409 853 853 HOH HOH B . U 6 HOH 410 854 854 HOH HOH B . U 6 HOH 411 855 855 HOH HOH B . U 6 HOH 412 856 856 HOH HOH B . U 6 HOH 413 857 857 HOH HOH B . U 6 HOH 414 858 858 HOH HOH B . U 6 HOH 415 859 859 HOH HOH B . U 6 HOH 416 860 860 HOH HOH B . U 6 HOH 417 861 861 HOH HOH B . U 6 HOH 418 862 862 HOH HOH B . U 6 HOH 419 863 863 HOH HOH B . U 6 HOH 420 864 864 HOH HOH B . U 6 HOH 421 865 865 HOH HOH B . U 6 HOH 422 866 866 HOH HOH B . U 6 HOH 423 867 867 HOH HOH B . U 6 HOH 424 868 868 HOH HOH B . U 6 HOH 425 869 869 HOH HOH B . U 6 HOH 426 870 870 HOH HOH B . U 6 HOH 427 871 871 HOH HOH B . U 6 HOH 428 872 872 HOH HOH B . U 6 HOH 429 873 873 HOH HOH B . U 6 HOH 430 874 874 HOH HOH B . U 6 HOH 431 875 875 HOH HOH B . U 6 HOH 432 876 876 HOH HOH B . U 6 HOH 433 877 877 HOH HOH B . U 6 HOH 434 878 878 HOH HOH B . U 6 HOH 435 879 879 HOH HOH B . U 6 HOH 436 880 880 HOH HOH B . U 6 HOH 437 881 881 HOH HOH B . U 6 HOH 438 882 882 HOH HOH B . U 6 HOH 439 883 883 HOH HOH B . U 6 HOH 440 884 884 HOH HOH B . U 6 HOH 441 885 885 HOH HOH B . U 6 HOH 442 886 886 HOH HOH B . U 6 HOH 443 887 887 HOH HOH B . U 6 HOH 444 888 888 HOH HOH B . U 6 HOH 445 889 889 HOH HOH B . U 6 HOH 446 890 890 HOH HOH B . U 6 HOH 447 891 891 HOH HOH B . U 6 HOH 448 892 892 HOH HOH B . U 6 HOH 449 893 893 HOH HOH B . U 6 HOH 450 894 894 HOH HOH B . U 6 HOH 451 895 895 HOH HOH B . U 6 HOH 452 896 896 HOH HOH B . U 6 HOH 453 897 897 HOH HOH B . U 6 HOH 454 898 898 HOH HOH B . U 6 HOH 455 899 899 HOH HOH B . U 6 HOH 456 900 900 HOH HOH B . U 6 HOH 457 901 901 HOH HOH B . U 6 HOH 458 902 902 HOH HOH B . U 6 HOH 459 903 903 HOH HOH B . U 6 HOH 460 904 904 HOH HOH B . U 6 HOH 461 905 905 HOH HOH B . U 6 HOH 462 906 906 HOH HOH B . U 6 HOH 463 907 907 HOH HOH B . U 6 HOH 464 908 908 HOH HOH B . U 6 HOH 465 909 909 HOH HOH B . U 6 HOH 466 910 910 HOH HOH B . U 6 HOH 467 911 911 HOH HOH B . U 6 HOH 468 912 912 HOH HOH B . U 6 HOH 469 913 913 HOH HOH B . U 6 HOH 470 914 914 HOH HOH B . U 6 HOH 471 915 915 HOH HOH B . U 6 HOH 472 916 916 HOH HOH B . U 6 HOH 473 917 917 HOH HOH B . U 6 HOH 474 921 921 HOH HOH B . U 6 HOH 475 923 923 HOH HOH B . U 6 HOH 476 931 931 HOH HOH B . U 6 HOH 477 933 933 HOH HOH B . U 6 HOH 478 936 936 HOH HOH B . U 6 HOH 479 940 940 HOH HOH B . U 6 HOH 480 941 941 HOH HOH B . U 6 HOH 481 944 944 HOH HOH B . U 6 HOH 482 946 946 HOH HOH B . U 6 HOH 483 948 948 HOH HOH B . U 6 HOH 484 949 949 HOH HOH B . #