data_2ALU # _entry.id 2ALU # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.296 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 2ALU RCSB RCSB034044 WWPDB D_1000034044 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 1NKX 'Crystal Structure Of A Proteolytically Generated Functional Monoferric C-Lobe Of Bovine Lactoferrin At 1.9A Resolution' unspecified PDB 2ALT 'the same protein complexed with indomethacin at 2.2 A resolution' unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 2ALU _pdbx_database_status.recvd_initial_deposition_date 2005-08-08 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site PDBJ _pdbx_database_status.status_code_sf ? _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Singh, N.' 1 'Jabeen, T.' 2 'Sharma, S.' 3 'Bhushan, A.' 4 'Singh, T.P.' 5 # _citation.id primary _citation.title ;Detection of new binding site in the C-terminal lobe of lactoferrin:Crystal structure of the complex formed between bovine lactoferrin and a tetrasaccharide at 2.1A resolution ; _citation.journal_abbrev 'To be Published' _citation.journal_volume ? _citation.page_first ? _citation.page_last ? _citation.year ? _citation.journal_id_ASTM ? _citation.country ? _citation.journal_id_ISSN ? _citation.journal_id_CSD 0353 _citation.book_publisher ? _citation.pdbx_database_id_PubMed ? _citation.pdbx_database_id_DOI ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Singh, N.' 1 primary 'Jabeen, T.' 2 primary 'Sharma, S.' 3 primary 'Bhushan, A.' 4 primary 'Singh, T.P.' 5 # _cell.entry_id 2ALU _cell.length_a 63.508 _cell.length_b 50.518 _cell.length_c 66.114 _cell.angle_alpha 90.00 _cell.angle_beta 107.76 _cell.angle_gamma 90.00 _cell.Z_PDB 2 _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 2ALU _symmetry.space_group_name_H-M 'P 1 21 1' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 4 _symmetry.space_group_name_Hall ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer nat Lactotransferrin 38026.961 1 ? N565K/K608E C-lobe ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 8 ? ? ? ? 3 non-polymer man BETA-D-MANNOSE 180.156 2 ? ? ? ? 4 non-polymer man ALPHA-D-MANNOSE 180.156 3 ? ? ? ? 5 non-polymer man '2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE' 221.208 1 ? ? ? ? 6 non-polymer syn 'ZINC ION' 65.409 2 ? ? ? ? 7 non-polymer syn 'FE (III) ION' 55.845 1 ? ? ? ? 8 non-polymer syn 'CARBONATE ION' 60.009 1 ? ? ? ? 9 non-polymer syn 'SULFATE ION' 96.063 1 ? ? ? ? 10 water nat water 18.015 281 ? ? ? ? # _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 ;YTRVVWCAVGPEEQKKCQQWSQQSGQNVTCATASTTDDCIVLVLKGEADALNLDGGYIYTAGKCGLVPVLAENRKSSKHS SLDCVLRPTEGYLAVAVVKKANEGLTWNSLKDKKSCHTAVDRTAGWNIPMGLIVNQTGSCAFDEFFSQSCAPGADPKSRL CALCAGDDQGLDKCVPNSKEKYYGYTGAFRCLAEDVGDVAFVKNDTVWENTNGESTADWAKNLKREDFRLLCLDGTRKPV TEAQSCHLAVAPNHAVVSRSDRAAHVEQVLLHQQALFGKNGKNCPDKFCLFKSETKNLLFNDNTECLAKLGGRPTYEEYL GTEYVTAIANLKKCSTSPLLEACAFLTR ; _entity_poly.pdbx_seq_one_letter_code_can ;YTRVVWCAVGPEEQKKCQQWSQQSGQNVTCATASTTDDCIVLVLKGEADALNLDGGYIYTAGKCGLVPVLAENRKSSKHS SLDCVLRPTEGYLAVAVVKKANEGLTWNSLKDKKSCHTAVDRTAGWNIPMGLIVNQTGSCAFDEFFSQSCAPGADPKSRL CALCAGDDQGLDKCVPNSKEKYYGYTGAFRCLAEDVGDVAFVKNDTVWENTNGESTADWAKNLKREDFRLLCLDGTRKPV TEAQSCHLAVAPNHAVVSRSDRAAHVEQVLLHQQALFGKNGKNCPDKFCLFKSETKNLLFNDNTECLAKLGGRPTYEEYL GTEYVTAIANLKKCSTSPLLEACAFLTR ; _entity_poly.pdbx_strand_id A _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 TYR n 1 2 THR n 1 3 ARG n 1 4 VAL n 1 5 VAL n 1 6 TRP n 1 7 CYS n 1 8 ALA n 1 9 VAL n 1 10 GLY n 1 11 PRO n 1 12 GLU n 1 13 GLU n 1 14 GLN n 1 15 LYS n 1 16 LYS n 1 17 CYS n 1 18 GLN n 1 19 GLN n 1 20 TRP n 1 21 SER n 1 22 GLN n 1 23 GLN n 1 24 SER n 1 25 GLY n 1 26 GLN n 1 27 ASN n 1 28 VAL n 1 29 THR n 1 30 CYS n 1 31 ALA n 1 32 THR n 1 33 ALA n 1 34 SER n 1 35 THR n 1 36 THR n 1 37 ASP n 1 38 ASP n 1 39 CYS n 1 40 ILE n 1 41 VAL n 1 42 LEU n 1 43 VAL n 1 44 LEU n 1 45 LYS n 1 46 GLY n 1 47 GLU n 1 48 ALA n 1 49 ASP n 1 50 ALA n 1 51 LEU n 1 52 ASN n 1 53 LEU n 1 54 ASP n 1 55 GLY n 1 56 GLY n 1 57 TYR n 1 58 ILE n 1 59 TYR n 1 60 THR n 1 61 ALA n 1 62 GLY n 1 63 LYS n 1 64 CYS n 1 65 GLY n 1 66 LEU n 1 67 VAL n 1 68 PRO n 1 69 VAL n 1 70 LEU n 1 71 ALA n 1 72 GLU n 1 73 ASN n 1 74 ARG n 1 75 LYS n 1 76 SER n 1 77 SER n 1 78 LYS n 1 79 HIS n 1 80 SER n 1 81 SER n 1 82 LEU n 1 83 ASP n 1 84 CYS n 1 85 VAL n 1 86 LEU n 1 87 ARG n 1 88 PRO n 1 89 THR n 1 90 GLU n 1 91 GLY n 1 92 TYR n 1 93 LEU n 1 94 ALA n 1 95 VAL n 1 96 ALA n 1 97 VAL n 1 98 VAL n 1 99 LYS n 1 100 LYS n 1 101 ALA n 1 102 ASN n 1 103 GLU n 1 104 GLY n 1 105 LEU n 1 106 THR n 1 107 TRP n 1 108 ASN n 1 109 SER n 1 110 LEU n 1 111 LYS n 1 112 ASP n 1 113 LYS n 1 114 LYS n 1 115 SER n 1 116 CYS n 1 117 HIS n 1 118 THR n 1 119 ALA n 1 120 VAL n 1 121 ASP n 1 122 ARG n 1 123 THR n 1 124 ALA n 1 125 GLY n 1 126 TRP n 1 127 ASN n 1 128 ILE n 1 129 PRO n 1 130 MET n 1 131 GLY n 1 132 LEU n 1 133 ILE n 1 134 VAL n 1 135 ASN n 1 136 GLN n 1 137 THR n 1 138 GLY n 1 139 SER n 1 140 CYS n 1 141 ALA n 1 142 PHE n 1 143 ASP n 1 144 GLU n 1 145 PHE n 1 146 PHE n 1 147 SER n 1 148 GLN n 1 149 SER n 1 150 CYS n 1 151 ALA n 1 152 PRO n 1 153 GLY n 1 154 ALA n 1 155 ASP n 1 156 PRO n 1 157 LYS n 1 158 SER n 1 159 ARG n 1 160 LEU n 1 161 CYS n 1 162 ALA n 1 163 LEU n 1 164 CYS n 1 165 ALA n 1 166 GLY n 1 167 ASP n 1 168 ASP n 1 169 GLN n 1 170 GLY n 1 171 LEU n 1 172 ASP n 1 173 LYS n 1 174 CYS n 1 175 VAL n 1 176 PRO n 1 177 ASN n 1 178 SER n 1 179 LYS n 1 180 GLU n 1 181 LYS n 1 182 TYR n 1 183 TYR n 1 184 GLY n 1 185 TYR n 1 186 THR n 1 187 GLY n 1 188 ALA n 1 189 PHE n 1 190 ARG n 1 191 CYS n 1 192 LEU n 1 193 ALA n 1 194 GLU n 1 195 ASP n 1 196 VAL n 1 197 GLY n 1 198 ASP n 1 199 VAL n 1 200 ALA n 1 201 PHE n 1 202 VAL n 1 203 LYS n 1 204 ASN n 1 205 ASP n 1 206 THR n 1 207 VAL n 1 208 TRP n 1 209 GLU n 1 210 ASN n 1 211 THR n 1 212 ASN n 1 213 GLY n 1 214 GLU n 1 215 SER n 1 216 THR n 1 217 ALA n 1 218 ASP n 1 219 TRP n 1 220 ALA n 1 221 LYS n 1 222 ASN n 1 223 LEU n 1 224 LYS n 1 225 ARG n 1 226 GLU n 1 227 ASP n 1 228 PHE n 1 229 ARG n 1 230 LEU n 1 231 LEU n 1 232 CYS n 1 233 LEU n 1 234 ASP n 1 235 GLY n 1 236 THR n 1 237 ARG n 1 238 LYS n 1 239 PRO n 1 240 VAL n 1 241 THR n 1 242 GLU n 1 243 ALA n 1 244 GLN n 1 245 SER n 1 246 CYS n 1 247 HIS n 1 248 LEU n 1 249 ALA n 1 250 VAL n 1 251 ALA n 1 252 PRO n 1 253 ASN n 1 254 HIS n 1 255 ALA n 1 256 VAL n 1 257 VAL n 1 258 SER n 1 259 ARG n 1 260 SER n 1 261 ASP n 1 262 ARG n 1 263 ALA n 1 264 ALA n 1 265 HIS n 1 266 VAL n 1 267 GLU n 1 268 GLN n 1 269 VAL n 1 270 LEU n 1 271 LEU n 1 272 HIS n 1 273 GLN n 1 274 GLN n 1 275 ALA n 1 276 LEU n 1 277 PHE n 1 278 GLY n 1 279 LYS n 1 280 ASN n 1 281 GLY n 1 282 LYS n 1 283 ASN n 1 284 CYS n 1 285 PRO n 1 286 ASP n 1 287 LYS n 1 288 PHE n 1 289 CYS n 1 290 LEU n 1 291 PHE n 1 292 LYS n 1 293 SER n 1 294 GLU n 1 295 THR n 1 296 LYS n 1 297 ASN n 1 298 LEU n 1 299 LEU n 1 300 PHE n 1 301 ASN n 1 302 ASP n 1 303 ASN n 1 304 THR n 1 305 GLU n 1 306 CYS n 1 307 LEU n 1 308 ALA n 1 309 LYS n 1 310 LEU n 1 311 GLY n 1 312 GLY n 1 313 ARG n 1 314 PRO n 1 315 THR n 1 316 TYR n 1 317 GLU n 1 318 GLU n 1 319 TYR n 1 320 LEU n 1 321 GLY n 1 322 THR n 1 323 GLU n 1 324 TYR n 1 325 VAL n 1 326 THR n 1 327 ALA n 1 328 ILE n 1 329 ALA n 1 330 ASN n 1 331 LEU n 1 332 LYS n 1 333 LYS n 1 334 CYS n 1 335 SER n 1 336 THR n 1 337 SER n 1 338 PRO n 1 339 LEU n 1 340 LEU n 1 341 GLU n 1 342 ALA n 1 343 CYS n 1 344 ALA n 1 345 PHE n 1 346 LEU n 1 347 THR n 1 348 ARG n # _entity_src_nat.entity_id 1 _entity_src_nat.pdbx_src_id 1 _entity_src_nat.pdbx_alt_source_flag sample _entity_src_nat.pdbx_beg_seq_num ? _entity_src_nat.pdbx_end_seq_num ? _entity_src_nat.common_name cattle _entity_src_nat.pdbx_organism_scientific 'Bos taurus' _entity_src_nat.pdbx_ncbi_taxonomy_id 9913 _entity_src_nat.genus Bos _entity_src_nat.species ? _entity_src_nat.strain ? _entity_src_nat.tissue ? _entity_src_nat.tissue_fraction ? _entity_src_nat.pdbx_secretion ? _entity_src_nat.pdbx_fragment ? _entity_src_nat.pdbx_variant ? _entity_src_nat.pdbx_cell_line ? _entity_src_nat.pdbx_atcc ? _entity_src_nat.pdbx_cellular_location ? _entity_src_nat.pdbx_organ ? _entity_src_nat.pdbx_organelle ? _entity_src_nat.pdbx_cell ? _entity_src_nat.pdbx_plasmid_name ? _entity_src_nat.pdbx_plasmid_details ? _entity_src_nat.details ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code TRFL_BOVIN _struct_ref.pdbx_db_accession P24627 _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;YTRVVWCAVGPEEQKKCQQWSQQSGQNVTCATASTTDDCIVLVLKGEADALNLDGGYIYTAGKCGLVPVLAENRKSSKHS SLDCVLRPTEGYLAVAVVKKANEGLTWNSLKDKKSCHTAVDRTAGWNIPMGLIVNQTGSCAFDEFFSQSCAPGADPKSRL CALCAGDDQGLDKCVPNSKEKYYGYTGAFRCLAEDVGDVAFVKNDTVWENTNGESTADWAKNLNREDFRLLCLDGTRKPV TEAQSCHLAVAPNHAVVSRSDRAAHVKQVLLHQQALFGKNGKNCPDKFCLFKSETKNLLFNDNTECLAKLGGRPTYEEYL GTEYVTAIANLKKCSTSPLLEACAFLTR ; _struct_ref.pdbx_align_begin 361 _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 2ALU _struct_ref_seq.pdbx_strand_id A _struct_ref_seq.seq_align_beg 1 _struct_ref_seq.pdbx_seq_align_beg_ins_code ? _struct_ref_seq.seq_align_end 348 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession P24627 _struct_ref_seq.db_align_beg 361 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 708 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 342 _struct_ref_seq.pdbx_auth_seq_align_end 689 # loop_ _struct_ref_seq_dif.align_id _struct_ref_seq_dif.pdbx_pdb_id_code _struct_ref_seq_dif.mon_id _struct_ref_seq_dif.pdbx_pdb_strand_id _struct_ref_seq_dif.seq_num _struct_ref_seq_dif.pdbx_pdb_ins_code _struct_ref_seq_dif.pdbx_seq_db_name _struct_ref_seq_dif.pdbx_seq_db_accession_code _struct_ref_seq_dif.db_mon_id _struct_ref_seq_dif.pdbx_seq_db_seq_num _struct_ref_seq_dif.details _struct_ref_seq_dif.pdbx_auth_seq_num _struct_ref_seq_dif.pdbx_ordinal 1 2ALU LYS A 224 ? UNP P24627 ASN 584 'see sequence details' 565 1 1 2ALU GLU A 267 ? UNP P24627 LYS 627 'see sequence details' 608 2 # 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 CO3 non-polymer . 'CARBONATE ION' ? 'C O3 -2' 60.009 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 FE non-polymer . 'FE (III) ION' ? 'Fe 3' 55.845 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MAN D-saccharide . ALPHA-D-MANNOSE ? 'C6 H12 O6' 180.156 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 NDG D-saccharide . '2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE' ? '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 SO4 non-polymer . 'SULFATE ION' ? 'O4 S -2' 96.063 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 ZN non-polymer . 'ZINC ION' ? 'Zn 2' 65.409 # _exptl.entry_id 2ALU _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.5 _exptl_crystal.density_percent_sol 51 _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 298 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 6.5 _exptl_crystal_grow.pdbx_details '0.1M MES, 25% POLYETHYLENE GLYCOLMONOMETHYL ETHER 550, 0.01M ZINC SULPHATE, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K' _exptl_crystal_grow.pdbx_pH_range . # _diffrn.id 1 _diffrn.ambient_temp 283 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector 'IMAGE PLATE' _diffrn_detector.type MARRESEARCH _diffrn_detector.pdbx_collection_date 2005-07-23 _diffrn_detector.details mirror # _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 1.5418 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source 'ROTATING ANODE' _diffrn_source.type 'RIGAKU RU300' _diffrn_source.pdbx_synchrotron_site ? _diffrn_source.pdbx_synchrotron_beamline ? _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 1.5418 # _reflns.entry_id 2ALU _reflns.observed_criterion_sigma_F 0 _reflns.observed_criterion_sigma_I 0 _reflns.d_resolution_high 2.09 _reflns.d_resolution_low 63.25 _reflns.number_all 21395 _reflns.number_obs 21395 _reflns.percent_possible_obs 91.45 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI ? _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy ? _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 2.09 _reflns_shell.d_res_low 2.15 _reflns_shell.percent_possible_all 95.5 _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_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 # _refine.entry_id 2ALU _refine.ls_number_reflns_obs 21395 _refine.ls_number_reflns_all 21395 _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 0 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 63.25 _refine.ls_d_res_high 2.09 _refine.ls_percent_reflns_obs 91.45 _refine.ls_R_factor_obs 0.19789 _refine.ls_R_factor_all 0.2113 _refine.ls_R_factor_R_work 0.19755 _refine.ls_R_factor_R_free 0.2124 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 2.1 _refine.ls_number_reflns_R_free 456 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.939 _refine.correlation_coeff_Fo_to_Fc_free 0.929 _refine.B_iso_mean 33.291 _refine.aniso_B[1][1] -0.03 _refine.aniso_B[2][2] -0.11 _refine.aniso_B[3][3] -1.00 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] -1.87 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details 'BABINET MODEL WITH MASK' _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.40 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details ? _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R 0.248 _refine.pdbx_overall_ESU_R_Free 0.174 _refine.overall_SU_ML 0.131 _refine.overall_SU_B 4.902 _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_overall_phase_error ? _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 2593 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 193 _refine_hist.number_atoms_solvent 281 _refine_hist.number_atoms_total 3067 _refine_hist.d_res_high 2.09 _refine_hist.d_res_low 63.25 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function r_bond_refined_d 0.015 0.021 ? 2852 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.813 2.032 ? 3887 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 3.747 3.000 ? 338 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 17.262 15.000 ? 465 'X-RAY DIFFRACTION' ? r_chiral_restr 0.113 0.200 ? 466 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.007 0.020 ? 2038 'X-RAY DIFFRACTION' ? r_nbd_refined 0.275 0.300 ? 1282 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_refined 0.174 0.500 ? 344 'X-RAY DIFFRACTION' ? r_metal_ion_refined 0.145 0.500 ? 3 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined 0.284 0.300 ? 35 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined 0.155 0.500 ? 5 'X-RAY DIFFRACTION' ? r_mcbond_it 1.063 1.500 ? 1688 'X-RAY DIFFRACTION' ? r_mcangle_it 1.972 2.000 ? 2692 'X-RAY DIFFRACTION' ? r_scbond_it 2.731 3.000 ? 1164 'X-RAY DIFFRACTION' ? r_scangle_it 4.532 4.500 ? 1195 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 2.090 _refine_ls_shell.d_res_low 2.144 _refine_ls_shell.number_reflns_R_work 1613 _refine_ls_shell.R_factor_R_work 0.266 _refine_ls_shell.percent_reflns_obs ? _refine_ls_shell.R_factor_R_free 0.328 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 20 _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' # _struct.entry_id 2ALU _struct.title ;Detection of new binding site in the C-terminal lobe of lactoferrin:Crystal structure of the complex formed between bovine lactoferrin and a tetrasaccharide at 2.1A resolution ; _struct.pdbx_descriptor Lactotransferrin _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 2ALU _struct_keywords.pdbx_keywords 'TRANSPORT PROTEIN' _struct_keywords.text 'lactoferrin, complex, TRANSPORT PROTEIN' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 2 ? D N N 2 ? E N N 3 ? F N N 2 ? G N N 2 ? H N N 3 ? I N N 4 ? J N N 4 ? K N N 4 ? L N N 2 ? M N N 5 ? N N N 2 ? O N N 2 ? P N N 6 ? Q N N 6 ? R N N 7 ? S N N 8 ? T N N 9 ? U N N 10 ? # 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 GLY A 10 ? SER A 24 ? GLY A 351 SER A 365 1 ? 15 HELX_P HELX_P2 2 THR A 35 ? LYS A 45 ? THR A 376 LYS A 386 1 ? 11 HELX_P HELX_P3 3 ASP A 54 ? CYS A 64 ? ASP A 395 CYS A 405 1 ? 11 HELX_P HELX_P4 4 ASP A 83 ? ARG A 87 ? ASP A 424 ARG A 428 5 ? 5 HELX_P HELX_P5 5 THR A 106 ? LEU A 110 ? THR A 447 LEU A 451 5 ? 5 HELX_P HELX_P6 6 TRP A 126 ? GLY A 138 ? TRP A 467 GLY A 479 1 ? 13 HELX_P HELX_P7 7 TYR A 183 ? GLU A 194 ? TYR A 524 GLU A 535 1 ? 12 HELX_P HELX_P8 8 ASN A 204 ? ASN A 210 ? ASN A 545 ASN A 551 1 ? 7 HELX_P HELX_P9 9 LYS A 224 ? GLU A 226 ? LYS A 565 GLU A 567 5 ? 3 HELX_P HELX_P10 10 PRO A 239 ? CYS A 246 ? PRO A 580 CYS A 587 5 ? 8 HELX_P HELX_P11 11 ARG A 262 ? GLY A 278 ? ARG A 603 GLY A 619 1 ? 17 HELX_P HELX_P12 12 THR A 315 ? LYS A 333 ? THR A 656 LYS A 674 1 ? 19 # _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 7 SG ? ? ? 1_555 A CYS 39 SG ? ? A CYS 348 A CYS 380 1_555 ? ? ? ? ? ? ? 2.003 ? disulf2 disulf ? ? A CYS 17 SG ? ? ? 1_555 A CYS 30 SG ? ? A CYS 358 A CYS 371 1_555 ? ? ? ? ? ? ? 2.033 ? disulf3 disulf ? ? A CYS 64 SG ? ? ? 1_555 A CYS 343 SG ? ? A CYS 405 A CYS 684 1_555 ? ? ? ? ? ? ? 2.027 ? disulf4 disulf ? ? A CYS 84 SG ? ? ? 1_555 A CYS 306 SG ? ? A CYS 425 A CYS 647 1_555 ? ? ? ? ? ? ? 2.005 ? disulf5 disulf ? ? A CYS 116 SG ? ? ? 1_555 A CYS 191 SG ? ? A CYS 457 A CYS 532 1_555 ? ? ? ? ? ? ? 1.991 ? disulf6 disulf ? ? A CYS 140 SG ? ? ? 1_555 A CYS 334 SG ? ? A CYS 481 A CYS 675 1_555 ? ? ? ? ? ? ? 2.022 ? disulf7 disulf ? ? A CYS 150 SG ? ? ? 1_555 A CYS 164 SG ? ? A CYS 491 A CYS 505 1_555 ? ? ? ? ? ? ? 2.047 ? disulf8 disulf ? ? A CYS 161 SG ? ? ? 1_555 A CYS 174 SG ? ? A CYS 502 A CYS 515 1_555 ? ? ? ? ? ? ? 2.029 ? disulf9 disulf ? ? A CYS 232 SG ? ? ? 1_555 A CYS 246 SG ? ? A CYS 573 A CYS 587 1_555 ? ? ? ? ? ? ? 2.035 ? disulf10 disulf ? ? A CYS 284 SG ? ? ? 1_555 A CYS 289 SG ? ? A CYS 625 A CYS 630 1_555 ? ? ? ? ? ? ? 2.007 ? covale1 covale ? ? A ASN 27 ND2 ? ? ? 1_555 B NAG . C1 ? ? A ASN 368 A NAG 1 1_555 ? ? ? ? ? ? ? 1.439 ? metalc1 metalc ? ? A ASP 54 OD1 ? ? ? 1_555 R FE . FE ? ? A ASP 395 A FE 694 1_555 ? ? ? ? ? ? ? 1.994 ? metalc2 metalc ? ? A TYR 92 OH ? ? ? 1_555 R FE . FE ? ? A TYR 433 A FE 694 1_555 ? ? ? ? ? ? ? 1.962 ? covale2 covale ? ? A ASN 135 ND2 ? ? ? 1_555 C NAG . C1 ? ? A ASN 476 A NAG 2 1_555 ? ? ? ? ? ? ? 1.438 ? metalc3 metalc ? ? A TYR 185 OH ? ? ? 1_555 R FE . FE ? ? A TYR 526 A FE 694 1_555 ? ? ? ? ? ? ? 1.890 ? covale3 covale ? ? A ASN 204 ND2 ? ? ? 1_555 F NAG . C1 ? ? A ASN 545 A NAG 5 1_555 ? ? ? ? ? ? ? 1.440 ? metalc4 metalc ? ? A HIS 247 NE2 ? ? ? 1_555 Q ZN . ZN ? ? A HIS 588 A ZN 303 1_555 ? ? ? ? ? ? ? 2.090 ? metalc5 metalc ? ? A HIS 254 NE2 ? ? ? 1_555 R FE . FE ? ? A HIS 595 A FE 694 1_555 ? ? ? ? ? ? ? 2.070 ? metalc6 metalc ? ? A GLU 318 OE1 ? ? ? 1_555 P ZN . ZN ? ? A GLU 659 A ZN 302 1_555 ? ? ? ? ? ? ? 2.377 ? metalc7 metalc ? ? A GLU 318 OE2 ? ? ? 1_555 P ZN . ZN ? ? A GLU 659 A ZN 302 1_555 ? ? ? ? ? ? ? 2.026 ? covale4 covale ? ? C NAG . O4 ? ? ? 1_555 D NAG . C1 ? ? A NAG 2 A NAG 3 1_555 ? ? ? ? ? ? ? 1.424 ? covale5 covale ? ? D NAG . O4 ? ? ? 1_555 E BMA . C1 ? ? A NAG 3 A BMA 4 1_555 ? ? ? ? ? ? ? 1.433 ? covale6 covale ? ? F NAG . O4 ? ? ? 1_555 G NAG . C1 ? ? A NAG 5 A NAG 6 1_555 ? ? ? ? ? ? ? 1.423 ? covale7 covale ? ? G NAG . O4 ? ? ? 1_555 H BMA . C1 ? ? A NAG 6 A BMA 7 1_555 ? ? ? ? ? ? ? 1.434 ? covale8 covale ? ? H BMA . O4 ? ? ? 1_555 I MAN . C1 ? ? A BMA 7 A MAN 8 1_555 ? ? ? ? ? ? ? 1.454 ? covale9 covale ? ? I MAN . O4 ? ? ? 1_555 J MAN . C1 ? ? A MAN 8 A MAN 9 1_555 ? ? ? ? ? ? ? 1.449 ? covale10 covale ? ? J MAN . O4 ? ? ? 1_555 K MAN . C1 ? ? A MAN 9 A MAN 10 1_555 ? ? ? ? ? ? ? 1.451 ? covale11 covale ? ? L NAG . O4 ? ? ? 1_555 M NDG . C1 ? ? A NAG 690 A NDG 691 1_555 ? ? ? ? ? ? ? 1.434 ? covale12 covale ? ? M NDG . O4 ? ? ? 1_555 N NAG . C1 ? ? A NDG 691 A NAG 692 1_555 ? ? ? ? ? ? ? 1.489 ? covale13 covale ? ? N NAG . O4 ? ? ? 1_555 O NAG . C1 ? ? A NAG 692 A NAG 693 1_555 ? ? ? ? ? ? ? 1.434 ? metalc8 metalc ? ? P ZN . ZN ? ? ? 1_555 U HOH . O ? ? A ZN 302 A HOH 885 1_555 ? ? ? ? ? ? ? 2.079 ? metalc9 metalc ? ? Q ZN . ZN ? ? ? 1_555 U HOH . O ? ? A ZN 303 A HOH 862 1_555 ? ? ? ? ? ? ? 2.031 ? metalc10 metalc ? ? Q ZN . ZN ? ? ? 1_555 U HOH . O ? ? A ZN 303 A HOH 896 1_555 ? ? ? ? ? ? ? 2.249 ? metalc11 metalc ? ? Q ZN . ZN ? ? ? 1_555 U HOH . O ? ? A ZN 303 A HOH 897 1_555 ? ? ? ? ? ? ? 2.118 ? metalc12 metalc ? ? R FE . FE ? ? ? 1_555 S CO3 . O1 ? ? A FE 694 A CO3 695 1_555 ? ? ? ? ? ? ? 2.118 ? metalc13 metalc ? ? R FE . FE ? ? ? 1_555 S CO3 . O2 ? ? A FE 694 A CO3 695 1_555 ? ? ? ? ? ? ? 2.058 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? metalc ? ? # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 2 ? B ? 4 ? C ? 6 ? D ? 5 ? # 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 ? parallel B 1 2 ? anti-parallel B 2 3 ? anti-parallel B 3 4 ? anti-parallel C 1 2 ? parallel C 2 3 ? parallel C 3 4 ? anti-parallel C 4 5 ? anti-parallel C 5 6 ? anti-parallel D 1 2 ? parallel D 2 3 ? parallel D 3 4 ? anti-parallel D 4 5 ? 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 VAL A 4 ? VAL A 9 ? VAL A 345 VAL A 350 A 2 VAL A 28 ? ALA A 33 ? VAL A 369 ALA A 374 B 1 ALA A 50 ? LEU A 53 ? ALA A 391 LEU A 394 B 2 ALA A 255 ? ARG A 259 ? ALA A 596 ARG A 600 B 3 LEU A 66 ? ASN A 73 ? LEU A 407 ASN A 414 B 4 CYS A 306 ? ALA A 308 ? CYS A 647 ALA A 649 C 1 GLN A 148 ? CYS A 150 ? GLN A 489 CYS A 491 C 2 LYS A 114 ? HIS A 117 ? LYS A 455 HIS A 458 C 3 VAL A 199 ? LYS A 203 ? VAL A 540 LYS A 544 C 4 TYR A 92 ? LYS A 99 ? TYR A 433 LYS A 440 C 5 PHE A 228 ? LEU A 231 ? PHE A 569 LEU A 572 C 6 ARG A 237 ? LYS A 238 ? ARG A 578 LYS A 579 D 1 GLN A 148 ? CYS A 150 ? GLN A 489 CYS A 491 D 2 LYS A 114 ? HIS A 117 ? LYS A 455 HIS A 458 D 3 VAL A 199 ? LYS A 203 ? VAL A 540 LYS A 544 D 4 TYR A 92 ? LYS A 99 ? TYR A 433 LYS A 440 D 5 ALA A 249 ? ALA A 251 ? ALA A 590 ALA A 592 # 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 TRP A 6 ? N TRP A 347 O THR A 29 ? O THR A 370 B 1 2 N LEU A 51 ? N LEU A 392 O VAL A 257 ? O VAL A 598 B 2 3 O SER A 258 ? O SER A 599 N VAL A 67 ? N VAL A 408 B 3 4 N ALA A 71 ? N ALA A 412 O ALA A 308 ? O ALA A 649 C 1 2 O CYS A 150 ? O CYS A 491 N HIS A 117 ? N HIS A 458 C 2 3 N CYS A 116 ? N CYS A 457 O PHE A 201 ? O PHE A 542 C 3 4 O VAL A 202 ? O VAL A 543 N VAL A 95 ? N VAL A 436 C 4 5 N ALA A 96 ? N ALA A 437 O LEU A 231 ? O LEU A 572 C 5 6 N LEU A 230 ? N LEU A 571 O LYS A 238 ? O LYS A 579 D 1 2 O CYS A 150 ? O CYS A 491 N HIS A 117 ? N HIS A 458 D 2 3 N CYS A 116 ? N CYS A 457 O PHE A 201 ? O PHE A 542 D 3 4 O VAL A 202 ? O VAL A 543 N VAL A 95 ? N VAL A 436 D 4 5 N TYR A 92 ? N TYR A 433 O ALA A 251 ? O ALA A 592 # 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 ? ? ? ? 8 'BINDING SITE FOR RESIDUE NAG A 1' AC2 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG A 2' AC3 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG A 3' AC4 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE BMA A 4' AC5 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG A 5' AC6 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 6' AC7 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE BMA A 7' AC8 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE MAN A 8' AC9 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE MAN A 9' BC1 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE MAN A 10' BC2 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 690' BC3 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE NDG A 691' BC4 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG A 692' BC5 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE NAG A 693' BC6 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE ZN A 302' BC7 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE ZN A 303' BC8 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE FE A 694' BC9 Software ? ? ? ? 10 'BINDING SITE FOR RESIDUE CO3 A 695' CC1 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE SO4 A 301' # 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 8 GLN A 23 ? GLN A 364 . ? 1_555 ? 2 AC1 8 SER A 24 ? SER A 365 . ? 1_555 ? 3 AC1 8 ASN A 27 ? ASN A 368 . ? 1_555 ? 4 AC1 8 HIS A 272 ? HIS A 613 . ? 1_555 ? 5 AC1 8 GLN A 273 ? GLN A 614 . ? 1_555 ? 6 AC1 8 LEU A 276 ? LEU A 617 . ? 1_555 ? 7 AC1 8 HOH U . ? HOH A 837 . ? 1_555 ? 8 AC1 8 HOH U . ? HOH A 971 . ? 1_555 ? 9 AC2 6 NAG D . ? NAG A 3 . ? 1_555 ? 10 AC2 6 ASN A 135 ? ASN A 476 . ? 1_555 ? 11 AC2 6 ALA A 327 ? ALA A 668 . ? 1_555 ? 12 AC2 6 ASN A 330 ? ASN A 671 . ? 1_555 ? 13 AC2 6 HOH U . ? HOH A 723 . ? 1_555 ? 14 AC2 6 HOH U . ? HOH A 863 . ? 1_555 ? 15 AC3 5 NAG C . ? NAG A 2 . ? 1_555 ? 16 AC3 5 BMA E . ? BMA A 4 . ? 1_555 ? 17 AC3 5 THR A 326 ? THR A 667 . ? 1_555 ? 18 AC3 5 ASN A 330 ? ASN A 671 . ? 1_555 ? 19 AC3 5 HOH U . ? HOH A 863 . ? 1_555 ? 20 AC4 2 NAG D . ? NAG A 3 . ? 1_555 ? 21 AC4 2 HOH U . ? HOH A 892 . ? 1_555 ? 22 AC5 6 NAG G . ? NAG A 6 . ? 1_555 ? 23 AC5 6 ASN A 204 ? ASN A 545 . ? 1_555 ? 24 AC5 6 ASP A 205 ? ASP A 546 . ? 1_555 ? 25 AC5 6 TRP A 208 ? TRP A 549 . ? 1_555 ? 26 AC5 6 GLN A 244 ? GLN A 585 . ? 1_555 ? 27 AC5 6 HOH U . ? HOH A 778 . ? 1_555 ? 28 AC6 4 NAG F . ? NAG A 5 . ? 1_555 ? 29 AC6 4 BMA H . ? BMA A 7 . ? 1_555 ? 30 AC6 4 MAN J . ? MAN A 9 . ? 1_555 ? 31 AC6 4 HOH U . ? HOH A 866 . ? 1_555 ? 32 AC7 2 NAG G . ? NAG A 6 . ? 1_555 ? 33 AC7 2 MAN I . ? MAN A 8 . ? 1_555 ? 34 AC8 3 BMA H . ? BMA A 7 . ? 1_555 ? 35 AC8 3 MAN J . ? MAN A 9 . ? 1_555 ? 36 AC8 3 MAN K . ? MAN A 10 . ? 1_555 ? 37 AC9 6 NAG G . ? NAG A 6 . ? 1_555 ? 38 AC9 6 MAN I . ? MAN A 8 . ? 1_555 ? 39 AC9 6 MAN K . ? MAN A 10 . ? 1_555 ? 40 AC9 6 GLU A 214 ? GLU A 555 . ? 1_555 ? 41 AC9 6 ARG A 225 ? ARG A 566 . ? 1_555 ? 42 AC9 6 HOH U . ? HOH A 774 . ? 1_555 ? 43 BC1 4 MAN I . ? MAN A 8 . ? 1_555 ? 44 BC1 4 MAN J . ? MAN A 9 . ? 1_555 ? 45 BC1 4 GLY A 213 ? GLY A 554 . ? 1_555 ? 46 BC1 4 GLU A 214 ? GLU A 555 . ? 1_555 ? 47 BC2 4 GLU A 318 ? GLU A 659 . ? 1_555 ? 48 BC2 4 NDG M . ? NDG A 691 . ? 1_555 ? 49 BC2 4 NAG N . ? NAG A 692 . ? 1_555 ? 50 BC2 4 HOH U . ? HOH A 893 . ? 1_555 ? 51 BC3 7 GLU A 318 ? GLU A 659 . ? 1_555 ? 52 BC3 7 TYR A 319 ? TYR A 660 . ? 1_555 ? 53 BC3 7 LEU A 320 ? LEU A 661 . ? 1_555 ? 54 BC3 7 GLY A 321 ? GLY A 662 . ? 1_555 ? 55 BC3 7 NAG L . ? NAG A 690 . ? 1_555 ? 56 BC3 7 NAG N . ? NAG A 692 . ? 1_555 ? 57 BC3 7 HOH U . ? HOH A 795 . ? 1_555 ? 58 BC4 5 GLU A 323 ? GLU A 664 . ? 1_555 ? 59 BC4 5 NAG L . ? NAG A 690 . ? 1_555 ? 60 BC4 5 NDG M . ? NDG A 691 . ? 1_555 ? 61 BC4 5 NAG O . ? NAG A 693 . ? 1_555 ? 62 BC4 5 HOH U . ? HOH A 972 . ? 1_555 ? 63 BC5 1 NAG N . ? NAG A 692 . ? 1_555 ? 64 BC6 2 GLU A 318 ? GLU A 659 . ? 1_555 ? 65 BC6 2 HOH U . ? HOH A 885 . ? 1_555 ? 66 BC7 4 HIS A 247 ? HIS A 588 . ? 1_555 ? 67 BC7 4 HOH U . ? HOH A 862 . ? 1_555 ? 68 BC7 4 HOH U . ? HOH A 896 . ? 1_555 ? 69 BC7 4 HOH U . ? HOH A 897 . ? 1_555 ? 70 BC8 5 ASP A 54 ? ASP A 395 . ? 1_555 ? 71 BC8 5 TYR A 92 ? TYR A 433 . ? 1_555 ? 72 BC8 5 TYR A 185 ? TYR A 526 . ? 1_555 ? 73 BC8 5 HIS A 254 ? HIS A 595 . ? 1_555 ? 74 BC8 5 CO3 S . ? CO3 A 695 . ? 1_555 ? 75 BC9 10 ASP A 54 ? ASP A 395 . ? 1_555 ? 76 BC9 10 TYR A 92 ? TYR A 433 . ? 1_555 ? 77 BC9 10 THR A 118 ? THR A 459 . ? 1_555 ? 78 BC9 10 ARG A 122 ? ARG A 463 . ? 1_555 ? 79 BC9 10 THR A 123 ? THR A 464 . ? 1_555 ? 80 BC9 10 ALA A 124 ? ALA A 465 . ? 1_555 ? 81 BC9 10 GLY A 125 ? GLY A 466 . ? 1_555 ? 82 BC9 10 TYR A 185 ? TYR A 526 . ? 1_555 ? 83 BC9 10 HIS A 254 ? HIS A 595 . ? 1_555 ? 84 BC9 10 FE R . ? FE A 694 . ? 1_555 ? 85 CC1 4 ARG A 229 ? ARG A 570 . ? 1_555 ? 86 CC1 4 ARG A 237 ? ARG A 578 . ? 1_555 ? 87 CC1 4 HOH U . ? HOH A 880 . ? 1_555 ? 88 CC1 4 HOH U . ? HOH A 928 . ? 1_555 ? # _database_PDB_matrix.entry_id 2ALU _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 2ALU _atom_sites.fract_transf_matrix[1][1] 0.015746 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.005044 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.019795 _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] 0.015882 _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 FE N O S ZN # 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 . TYR A 1 1 ? 40.692 9.243 30.858 1.00 59.90 ? 342 TYR A N 1 ATOM 2 C CA . TYR A 1 1 ? 40.070 10.559 31.201 1.00 59.59 ? 342 TYR A CA 1 ATOM 3 C C . TYR A 1 1 ? 39.285 11.141 30.027 1.00 57.92 ? 342 TYR A C 1 ATOM 4 O O . TYR A 1 1 ? 38.093 11.428 30.143 1.00 58.04 ? 342 TYR A O 1 ATOM 5 C CB . TYR A 1 1 ? 41.137 11.560 31.655 1.00 60.83 ? 342 TYR A CB 1 ATOM 6 C CG . TYR A 1 1 ? 41.704 11.270 33.029 1.00 64.54 ? 342 TYR A CG 1 ATOM 7 C CD1 . TYR A 1 1 ? 42.656 10.268 33.216 1.00 67.89 ? 342 TYR A CD1 1 ATOM 8 C CD2 . TYR A 1 1 ? 41.289 11.999 34.147 1.00 67.84 ? 342 TYR A CD2 1 ATOM 9 C CE1 . TYR A 1 1 ? 43.176 9.993 34.478 1.00 70.18 ? 342 TYR A CE1 1 ATOM 10 C CE2 . TYR A 1 1 ? 41.810 11.735 35.413 1.00 70.17 ? 342 TYR A CE2 1 ATOM 11 C CZ . TYR A 1 1 ? 42.754 10.731 35.571 1.00 71.24 ? 342 TYR A CZ 1 ATOM 12 O OH . TYR A 1 1 ? 43.282 10.459 36.823 1.00 73.64 ? 342 TYR A OH 1 ATOM 13 N N . THR A 1 2 ? 39.974 11.330 28.905 1.00 55.19 ? 343 THR A N 1 ATOM 14 C CA . THR A 1 2 ? 39.354 11.787 27.672 1.00 52.04 ? 343 THR A CA 1 ATOM 15 C C . THR A 1 2 ? 38.997 10.536 26.852 1.00 49.72 ? 343 THR A C 1 ATOM 16 O O . THR A 1 2 ? 38.750 10.590 25.647 1.00 49.39 ? 343 THR A O 1 ATOM 17 C CB . THR A 1 2 ? 40.315 12.730 26.933 1.00 52.62 ? 343 THR A CB 1 ATOM 18 O OG1 . THR A 1 2 ? 39.572 13.745 26.248 1.00 53.06 ? 343 THR A OG1 1 ATOM 19 C CG2 . THR A 1 2 ? 41.096 12.003 25.833 1.00 52.48 ? 343 THR A CG2 1 ATOM 20 N N . ARG A 1 3 ? 38.987 9.401 27.546 1.00 46.30 ? 344 ARG A N 1 ATOM 21 C CA . ARG A 1 3 ? 38.647 8.120 26.971 1.00 42.92 ? 344 ARG A CA 1 ATOM 22 C C . ARG A 1 3 ? 37.139 7.849 27.187 1.00 39.48 ? 344 ARG A C 1 ATOM 23 O O . ARG A 1 3 ? 36.552 8.284 28.177 1.00 38.52 ? 344 ARG A O 1 ATOM 24 C CB . ARG A 1 3 ? 39.521 7.041 27.623 1.00 43.84 ? 344 ARG A CB 1 ATOM 25 C CG . ARG A 1 3 ? 39.228 5.593 27.210 1.00 47.93 ? 344 ARG A CG 1 ATOM 26 C CD . ARG A 1 3 ? 40.341 4.597 27.584 1.00 54.24 ? 344 ARG A CD 1 ATOM 27 N NE . ARG A 1 3 ? 40.405 4.304 29.020 1.00 58.53 ? 344 ARG A NE 1 ATOM 28 C CZ . ARG A 1 3 ? 39.486 3.622 29.702 1.00 60.06 ? 344 ARG A CZ 1 ATOM 29 N NH1 . ARG A 1 3 ? 38.402 3.171 29.094 1.00 61.74 ? 344 ARG A NH1 1 ATOM 30 N NH2 . ARG A 1 3 ? 39.640 3.408 31.003 1.00 60.64 ? 344 ARG A NH2 1 ATOM 31 N N . VAL A 1 4 ? 36.536 7.122 26.255 1.00 35.22 ? 345 VAL A N 1 ATOM 32 C CA . VAL A 1 4 ? 35.115 6.810 26.286 1.00 30.95 ? 345 VAL A CA 1 ATOM 33 C C . VAL A 1 4 ? 34.872 5.286 26.333 1.00 28.93 ? 345 VAL A C 1 ATOM 34 O O . VAL A 1 4 ? 35.475 4.523 25.580 1.00 28.55 ? 345 VAL A O 1 ATOM 35 C CB . VAL A 1 4 ? 34.420 7.454 25.067 1.00 31.24 ? 345 VAL A CB 1 ATOM 36 C CG1 . VAL A 1 4 ? 33.142 6.678 24.629 1.00 29.94 ? 345 VAL A CG1 1 ATOM 37 C CG2 . VAL A 1 4 ? 34.128 8.928 25.342 1.00 28.26 ? 345 VAL A CG2 1 ATOM 38 N N . VAL A 1 5 ? 34.025 4.836 27.250 1.00 25.33 ? 346 VAL A N 1 ATOM 39 C CA . VAL A 1 5 ? 33.700 3.416 27.294 1.00 22.37 ? 346 VAL A CA 1 ATOM 40 C C . VAL A 1 5 ? 32.392 3.224 26.534 1.00 20.42 ? 346 VAL A C 1 ATOM 41 O O . VAL A 1 5 ? 31.346 3.770 26.916 1.00 20.20 ? 346 VAL A O 1 ATOM 42 C CB . VAL A 1 5 ? 33.641 2.882 28.743 1.00 22.35 ? 346 VAL A CB 1 ATOM 43 C CG1 . VAL A 1 5 ? 33.186 1.411 28.795 1.00 20.66 ? 346 VAL A CG1 1 ATOM 44 C CG2 . VAL A 1 5 ? 35.010 3.056 29.377 1.00 21.70 ? 346 VAL A CG2 1 ATOM 45 N N . TRP A 1 6 ? 32.474 2.526 25.415 1.00 17.74 ? 347 TRP A N 1 ATOM 46 C CA . TRP A 1 6 ? 31.294 2.257 24.617 1.00 18.07 ? 347 TRP A CA 1 ATOM 47 C C . TRP A 1 6 ? 30.554 1.016 25.209 1.00 18.15 ? 347 TRP A C 1 ATOM 48 O O . TRP A 1 6 ? 31.189 0.062 25.664 1.00 18.07 ? 347 TRP A O 1 ATOM 49 C CB . TRP A 1 6 ? 31.659 1.995 23.147 1.00 17.66 ? 347 TRP A CB 1 ATOM 50 C CG . TRP A 1 6 ? 30.483 2.269 22.248 1.00 17.29 ? 347 TRP A CG 1 ATOM 51 C CD1 . TRP A 1 6 ? 29.611 1.372 21.771 1.00 15.38 ? 347 TRP A CD1 1 ATOM 52 C CD2 . TRP A 1 6 ? 30.021 3.550 21.819 1.00 16.27 ? 347 TRP A CD2 1 ATOM 53 N NE1 . TRP A 1 6 ? 28.648 1.999 21.022 1.00 19.13 ? 347 TRP A NE1 1 ATOM 54 C CE2 . TRP A 1 6 ? 28.858 3.346 21.069 1.00 17.29 ? 347 TRP A CE2 1 ATOM 55 C CE3 . TRP A 1 6 ? 30.473 4.851 22.000 1.00 14.80 ? 347 TRP A CE3 1 ATOM 56 C CZ2 . TRP A 1 6 ? 28.152 4.395 20.459 1.00 18.26 ? 347 TRP A CZ2 1 ATOM 57 C CZ3 . TRP A 1 6 ? 29.766 5.894 21.388 1.00 18.00 ? 347 TRP A CZ3 1 ATOM 58 C CH2 . TRP A 1 6 ? 28.632 5.669 20.658 1.00 17.59 ? 347 TRP A CH2 1 ATOM 59 N N . CYS A 1 7 ? 29.228 1.002 25.207 1.00 17.00 ? 348 CYS A N 1 ATOM 60 C CA . CYS A 1 7 ? 28.555 -0.241 25.631 1.00 15.79 ? 348 CYS A CA 1 ATOM 61 C C . CYS A 1 7 ? 28.040 -1.058 24.458 1.00 16.22 ? 348 CYS A C 1 ATOM 62 O O . CYS A 1 7 ? 27.241 -0.591 23.704 1.00 17.85 ? 348 CYS A O 1 ATOM 63 C CB . CYS A 1 7 ? 27.412 0.084 26.592 1.00 15.48 ? 348 CYS A CB 1 ATOM 64 S SG . CYS A 1 7 ? 26.873 -1.342 27.535 1.00 16.80 ? 348 CYS A SG 1 ATOM 65 N N . ALA A 1 8 ? 28.499 -2.285 24.279 1.00 17.49 ? 349 ALA A N 1 ATOM 66 C CA . ALA A 1 8 ? 28.070 -3.108 23.162 1.00 17.04 ? 349 ALA A CA 1 ATOM 67 C C . ALA A 1 8 ? 27.017 -4.081 23.664 1.00 17.50 ? 349 ALA A C 1 ATOM 68 O O . ALA A 1 8 ? 27.084 -4.539 24.804 1.00 17.44 ? 349 ALA A O 1 ATOM 69 C CB . ALA A 1 8 ? 29.252 -3.904 22.610 1.00 18.53 ? 349 ALA A CB 1 ATOM 70 N N . VAL A 1 9 ? 26.054 -4.390 22.809 1.00 16.55 ? 350 VAL A N 1 ATOM 71 C CA . VAL A 1 9 ? 24.996 -5.283 23.216 1.00 17.47 ? 350 VAL A CA 1 ATOM 72 C C . VAL A 1 9 ? 25.162 -6.614 22.503 1.00 18.19 ? 350 VAL A C 1 ATOM 73 O O . VAL A 1 9 ? 24.837 -6.715 21.325 1.00 19.01 ? 350 VAL A O 1 ATOM 74 C CB . VAL A 1 9 ? 23.601 -4.745 22.825 1.00 16.78 ? 350 VAL A CB 1 ATOM 75 C CG1 . VAL A 1 9 ? 22.513 -5.792 23.176 1.00 13.02 ? 350 VAL A CG1 1 ATOM 76 C CG2 . VAL A 1 9 ? 23.357 -3.344 23.450 1.00 14.82 ? 350 VAL A CG2 1 ATOM 77 N N . GLY A 1 10 ? 25.616 -7.625 23.237 1.00 19.14 ? 351 GLY A N 1 ATOM 78 C CA . GLY A 1 10 ? 25.822 -8.953 22.696 1.00 20.11 ? 351 GLY A CA 1 ATOM 79 C C . GLY A 1 10 ? 27.251 -9.131 22.199 1.00 20.58 ? 351 GLY A C 1 ATOM 80 O O . GLY A 1 10 ? 27.983 -8.157 22.058 1.00 20.44 ? 351 GLY A O 1 ATOM 81 N N . PRO A 1 11 ? 27.626 -10.371 21.895 1.00 21.07 ? 352 PRO A N 1 ATOM 82 C CA . PRO A 1 11 ? 29.007 -10.719 21.499 1.00 21.01 ? 352 PRO A CA 1 ATOM 83 C C . PRO A 1 11 ? 29.452 -10.243 20.078 1.00 20.53 ? 352 PRO A C 1 ATOM 84 O O . PRO A 1 11 ? 30.628 -10.046 19.885 1.00 20.13 ? 352 PRO A O 1 ATOM 85 C CB . PRO A 1 11 ? 29.006 -12.247 21.603 1.00 20.91 ? 352 PRO A CB 1 ATOM 86 C CG . PRO A 1 11 ? 27.613 -12.605 21.205 1.00 23.01 ? 352 PRO A CG 1 ATOM 87 C CD . PRO A 1 11 ? 26.753 -11.554 21.968 1.00 20.80 ? 352 PRO A CD 1 ATOM 88 N N . GLU A 1 12 ? 28.546 -10.058 19.134 1.00 20.79 ? 353 GLU A N 1 ATOM 89 C CA . GLU A 1 12 ? 28.894 -9.564 17.809 1.00 22.19 ? 353 GLU A CA 1 ATOM 90 C C . GLU A 1 12 ? 29.226 -8.083 17.851 1.00 21.76 ? 353 GLU A C 1 ATOM 91 O O . GLU A 1 12 ? 30.159 -7.635 17.189 1.00 21.94 ? 353 GLU A O 1 ATOM 92 C CB . GLU A 1 12 ? 27.777 -9.804 16.786 1.00 23.04 ? 353 GLU A CB 1 ATOM 93 C CG . GLU A 1 12 ? 27.438 -11.276 16.611 1.00 28.96 ? 353 GLU A CG 1 ATOM 94 C CD . GLU A 1 12 ? 26.565 -11.519 15.395 1.00 32.60 ? 353 GLU A CD 1 ATOM 95 O OE1 . GLU A 1 12 ? 25.439 -10.984 15.310 1.00 32.76 ? 353 GLU A OE1 1 ATOM 96 O OE2 . GLU A 1 12 ? 27.024 -12.257 14.511 1.00 37.40 ? 353 GLU A OE2 1 ATOM 97 N N . GLU A 1 13 ? 28.478 -7.322 18.646 1.00 20.77 ? 354 GLU A N 1 ATOM 98 C CA . GLU A 1 13 ? 28.803 -5.896 18.840 1.00 19.63 ? 354 GLU A CA 1 ATOM 99 C C . GLU A 1 13 ? 30.092 -5.831 19.657 1.00 19.97 ? 354 GLU A C 1 ATOM 100 O O . GLU A 1 13 ? 30.899 -4.942 19.497 1.00 19.23 ? 354 GLU A O 1 ATOM 101 C CB . GLU A 1 13 ? 27.645 -5.148 19.548 1.00 18.77 ? 354 GLU A CB 1 ATOM 102 C CG . GLU A 1 13 ? 26.393 -4.928 18.676 1.00 16.73 ? 354 GLU A CG 1 ATOM 103 C CD . GLU A 1 13 ? 25.589 -3.677 19.046 1.00 19.11 ? 354 GLU A CD 1 ATOM 104 O OE1 . GLU A 1 13 ? 25.634 -3.253 20.216 1.00 20.51 ? 354 GLU A OE1 1 ATOM 105 O OE2 . GLU A 1 13 ? 24.892 -3.096 18.166 1.00 18.92 ? 354 GLU A OE2 1 ATOM 106 N N . GLN A 1 14 ? 30.264 -6.749 20.595 1.00 21.16 ? 355 GLN A N 1 ATOM 107 C CA . GLN A 1 14 ? 31.501 -6.747 21.355 1.00 22.52 ? 355 GLN A CA 1 ATOM 108 C C . GLN A 1 14 ? 32.740 -6.882 20.447 1.00 22.29 ? 355 GLN A C 1 ATOM 109 O O . GLN A 1 14 ? 33.673 -6.148 20.573 1.00 21.97 ? 355 GLN A O 1 ATOM 110 C CB . GLN A 1 14 ? 31.522 -7.820 22.421 1.00 22.29 ? 355 GLN A CB 1 ATOM 111 C CG . GLN A 1 14 ? 32.741 -7.713 23.317 1.00 26.52 ? 355 GLN A CG 1 ATOM 112 C CD . GLN A 1 14 ? 32.898 -8.903 24.264 1.00 33.70 ? 355 GLN A CD 1 ATOM 113 O OE1 . GLN A 1 14 ? 32.601 -10.045 23.902 1.00 36.38 ? 355 GLN A OE1 1 ATOM 114 N NE2 . GLN A 1 14 ? 33.369 -8.636 25.473 1.00 35.93 ? 355 GLN A NE2 1 ATOM 115 N N . LYS A 1 15 ? 32.714 -7.817 19.520 1.00 23.93 ? 356 LYS A N 1 ATOM 116 C CA . LYS A 1 15 ? 33.843 -8.007 18.645 1.00 24.78 ? 356 LYS A CA 1 ATOM 117 C C . LYS A 1 15 ? 34.117 -6.792 17.774 1.00 24.30 ? 356 LYS A C 1 ATOM 118 O O . LYS A 1 15 ? 35.280 -6.423 17.593 1.00 25.05 ? 356 LYS A O 1 ATOM 119 C CB . LYS A 1 15 ? 33.739 -9.337 17.891 1.00 25.47 ? 356 LYS A CB 1 ATOM 120 C CG . LYS A 1 15 ? 33.461 -9.258 16.393 1.00 30.69 ? 356 LYS A CG 1 ATOM 121 C CD . LYS A 1 15 ? 34.748 -9.298 15.599 1.00 32.62 ? 356 LYS A CD 1 ATOM 122 C CE . LYS A 1 15 ? 35.375 -10.678 15.798 1.00 37.22 ? 356 LYS A CE 1 ATOM 123 N NZ . LYS A 1 15 ? 34.275 -11.653 16.049 1.00 39.17 ? 356 LYS A NZ 1 ATOM 124 N N . LYS A 1 16 ? 33.071 -6.135 17.285 1.00 23.96 ? 357 LYS A N 1 ATOM 125 C CA . LYS A 1 16 ? 33.242 -4.935 16.452 1.00 23.65 ? 357 LYS A CA 1 ATOM 126 C C . LYS A 1 16 ? 33.795 -3.791 17.290 1.00 24.28 ? 357 LYS A C 1 ATOM 127 O O . LYS A 1 16 ? 34.726 -3.068 16.869 1.00 24.20 ? 357 LYS A O 1 ATOM 128 C CB . LYS A 1 16 ? 31.939 -4.513 15.754 1.00 23.43 ? 357 LYS A CB 1 ATOM 129 C CG . LYS A 1 16 ? 32.089 -3.254 14.872 1.00 22.91 ? 357 LYS A CG 1 ATOM 130 C CD . LYS A 1 16 ? 30.808 -2.922 14.082 1.00 23.40 ? 357 LYS A CD 1 ATOM 131 C CE . LYS A 1 16 ? 30.842 -1.484 13.466 1.00 23.82 ? 357 LYS A CE 1 ATOM 132 N NZ . LYS A 1 16 ? 29.670 -1.137 12.566 1.00 24.57 ? 357 LYS A NZ 1 ATOM 133 N N . CYS A 1 17 ? 33.234 -3.618 18.482 1.00 22.71 ? 358 CYS A N 1 ATOM 134 C CA . CYS A 1 17 ? 33.740 -2.614 19.377 1.00 22.82 ? 358 CYS A CA 1 ATOM 135 C C . CYS A 1 17 ? 35.228 -2.859 19.693 1.00 23.62 ? 358 CYS A C 1 ATOM 136 O O . CYS A 1 17 ? 36.023 -1.910 19.784 1.00 22.50 ? 358 CYS A O 1 ATOM 137 C CB . CYS A 1 17 ? 32.890 -2.608 20.681 1.00 22.04 ? 358 CYS A CB 1 ATOM 138 S SG . CYS A 1 17 ? 33.299 -1.310 21.864 1.00 21.52 ? 358 CYS A SG 1 ATOM 139 N N . GLN A 1 18 ? 35.605 -4.122 19.917 1.00 24.78 ? 359 GLN A N 1 ATOM 140 C CA . GLN A 1 18 ? 37.016 -4.422 20.243 1.00 27.23 ? 359 GLN A CA 1 ATOM 141 C C . GLN A 1 18 ? 37.973 -3.981 19.134 1.00 27.36 ? 359 GLN A C 1 ATOM 142 O O . GLN A 1 18 ? 39.079 -3.466 19.409 1.00 27.62 ? 359 GLN A O 1 ATOM 143 C CB . GLN A 1 18 ? 37.231 -5.919 20.597 1.00 27.50 ? 359 GLN A CB 1 ATOM 144 C CG . GLN A 1 18 ? 36.685 -6.299 21.974 1.00 31.45 ? 359 GLN A CG 1 ATOM 145 C CD . GLN A 1 18 ? 36.668 -7.827 22.257 1.00 37.66 ? 359 GLN A CD 1 ATOM 146 O OE1 . GLN A 1 18 ? 36.881 -8.649 21.353 1.00 41.05 ? 359 GLN A OE1 1 ATOM 147 N NE2 . GLN A 1 18 ? 36.391 -8.193 23.516 1.00 37.15 ? 359 GLN A NE2 1 ATOM 148 N N . GLN A 1 19 ? 37.537 -4.149 17.892 1.00 27.33 ? 360 GLN A N 1 ATOM 149 C CA . GLN A 1 19 ? 38.300 -3.705 16.736 1.00 28.66 ? 360 GLN A CA 1 ATOM 150 C C . GLN A 1 19 ? 38.435 -2.180 16.692 1.00 28.19 ? 360 GLN A C 1 ATOM 151 O O . GLN A 1 19 ? 39.513 -1.650 16.391 1.00 26.81 ? 360 GLN A O 1 ATOM 152 C CB . GLN A 1 19 ? 37.631 -4.184 15.456 1.00 29.49 ? 360 GLN A CB 1 ATOM 153 C CG . GLN A 1 19 ? 37.908 -5.662 15.124 1.00 35.86 ? 360 GLN A CG 1 ATOM 154 C CD . GLN A 1 19 ? 37.236 -6.107 13.821 1.00 43.41 ? 360 GLN A CD 1 ATOM 155 O OE1 . GLN A 1 19 ? 37.374 -5.442 12.774 1.00 47.06 ? 360 GLN A OE1 1 ATOM 156 N NE2 . GLN A 1 19 ? 36.506 -7.224 13.879 1.00 45.58 ? 360 GLN A NE2 1 ATOM 157 N N . TRP A 1 20 ? 37.325 -1.485 16.978 1.00 27.09 ? 361 TRP A N 1 ATOM 158 C CA . TRP A 1 20 ? 37.321 -0.045 17.020 1.00 26.50 ? 361 TRP A CA 1 ATOM 159 C C . TRP A 1 20 ? 38.300 0.410 18.080 1.00 26.66 ? 361 TRP A C 1 ATOM 160 O O . TRP A 1 20 ? 39.045 1.360 17.862 1.00 27.09 ? 361 TRP A O 1 ATOM 161 C CB . TRP A 1 20 ? 35.913 0.457 17.360 1.00 26.08 ? 361 TRP A CB 1 ATOM 162 C CG . TRP A 1 20 ? 35.723 1.955 17.447 1.00 25.96 ? 361 TRP A CG 1 ATOM 163 C CD1 . TRP A 1 20 ? 36.565 2.930 16.991 1.00 27.94 ? 361 TRP A CD1 1 ATOM 164 C CD2 . TRP A 1 20 ? 34.583 2.641 17.994 1.00 25.45 ? 361 TRP A CD2 1 ATOM 165 N NE1 . TRP A 1 20 ? 36.025 4.174 17.235 1.00 27.73 ? 361 TRP A NE1 1 ATOM 166 C CE2 . TRP A 1 20 ? 34.803 4.020 17.839 1.00 25.08 ? 361 TRP A CE2 1 ATOM 167 C CE3 . TRP A 1 20 ? 33.381 2.217 18.590 1.00 28.11 ? 361 TRP A CE3 1 ATOM 168 C CZ2 . TRP A 1 20 ? 33.899 4.988 18.297 1.00 24.58 ? 361 TRP A CZ2 1 ATOM 169 C CZ3 . TRP A 1 20 ? 32.461 3.187 19.040 1.00 26.04 ? 361 TRP A CZ3 1 ATOM 170 C CH2 . TRP A 1 20 ? 32.740 4.558 18.886 1.00 24.51 ? 361 TRP A CH2 1 ATOM 171 N N . SER A 1 21 ? 38.281 -0.275 19.222 1.00 26.08 ? 362 SER A N 1 ATOM 172 C CA . SER A 1 21 ? 39.102 0.052 20.382 1.00 26.91 ? 362 SER A CA 1 ATOM 173 C C . SER A 1 21 ? 40.581 0.006 20.049 1.00 27.96 ? 362 SER A C 1 ATOM 174 O O . SER A 1 21 ? 41.333 0.953 20.367 1.00 28.10 ? 362 SER A O 1 ATOM 175 C CB . SER A 1 21 ? 38.826 -0.943 21.514 1.00 26.44 ? 362 SER A CB 1 ATOM 176 O OG . SER A 1 21 ? 39.539 -0.627 22.680 1.00 26.89 ? 362 SER A OG 1 ATOM 177 N N . GLN A 1 22 ? 40.980 -1.124 19.466 1.00 28.98 ? 363 GLN A N 1 ATOM 178 C CA . GLN A 1 22 ? 42.342 -1.359 18.994 1.00 31.04 ? 363 GLN A CA 1 ATOM 179 C C . GLN A 1 22 ? 42.777 -0.294 17.966 1.00 30.68 ? 363 GLN A C 1 ATOM 180 O O . GLN A 1 22 ? 43.858 0.253 18.094 1.00 31.81 ? 363 GLN A O 1 ATOM 181 C CB . GLN A 1 22 ? 42.480 -2.782 18.431 1.00 31.45 ? 363 GLN A CB 1 ATOM 182 C CG . GLN A 1 22 ? 43.916 -3.166 17.983 1.00 36.87 ? 363 GLN A CG 1 ATOM 183 C CD . GLN A 1 22 ? 44.058 -4.665 17.590 1.00 43.29 ? 363 GLN A CD 1 ATOM 184 O OE1 . GLN A 1 22 ? 43.070 -5.422 17.604 1.00 45.92 ? 363 GLN A OE1 1 ATOM 185 N NE2 . GLN A 1 22 ? 45.287 -5.082 17.240 1.00 44.95 ? 363 GLN A NE2 1 ATOM 186 N N . GLN A 1 23 ? 41.935 0.024 16.980 1.00 30.37 ? 364 GLN A N 1 ATOM 187 C CA . GLN A 1 23 ? 42.270 1.042 15.966 1.00 30.14 ? 364 GLN A CA 1 ATOM 188 C C . GLN A 1 23 ? 42.320 2.482 16.502 1.00 29.97 ? 364 GLN A C 1 ATOM 189 O O . GLN A 1 23 ? 42.932 3.361 15.887 1.00 28.81 ? 364 GLN A O 1 ATOM 190 C CB . GLN A 1 23 ? 41.327 0.990 14.758 1.00 29.56 ? 364 GLN A CB 1 ATOM 191 C CG . GLN A 1 23 ? 41.444 -0.261 13.909 1.00 34.28 ? 364 GLN A CG 1 ATOM 192 C CD . GLN A 1 23 ? 42.849 -0.462 13.259 1.00 36.95 ? 364 GLN A CD 1 ATOM 193 O OE1 . GLN A 1 23 ? 43.301 0.357 12.462 1.00 40.26 ? 364 GLN A OE1 1 ATOM 194 N NE2 . GLN A 1 23 ? 43.503 -1.550 13.598 1.00 37.50 ? 364 GLN A NE2 1 ATOM 195 N N . SER A 1 24 ? 41.685 2.704 17.651 1.00 29.82 ? 365 SER A N 1 ATOM 196 C CA . SER A 1 24 ? 41.589 4.020 18.267 1.00 29.59 ? 365 SER A CA 1 ATOM 197 C C . SER A 1 24 ? 42.733 4.295 19.228 1.00 29.67 ? 365 SER A C 1 ATOM 198 O O . SER A 1 24 ? 42.847 5.377 19.786 1.00 30.37 ? 365 SER A O 1 ATOM 199 C CB . SER A 1 24 ? 40.244 4.149 19.013 1.00 29.38 ? 365 SER A CB 1 ATOM 200 O OG . SER A 1 24 ? 40.175 3.229 20.091 1.00 25.89 ? 365 SER A OG 1 ATOM 201 N N . GLY A 1 25 ? 43.577 3.312 19.443 1.00 31.39 ? 366 GLY A N 1 ATOM 202 C CA . GLY A 1 25 ? 44.716 3.503 20.334 1.00 32.47 ? 366 GLY A CA 1 ATOM 203 C C . GLY A 1 25 ? 44.199 3.556 21.757 1.00 33.42 ? 366 GLY A C 1 ATOM 204 O O . GLY A 1 25 ? 44.749 4.236 22.635 1.00 32.75 ? 366 GLY A O 1 ATOM 205 N N . GLN A 1 26 ? 43.096 2.844 21.966 1.00 34.26 ? 367 GLN A N 1 ATOM 206 C CA . GLN A 1 26 ? 42.466 2.764 23.275 1.00 35.06 ? 367 GLN A CA 1 ATOM 207 C C . GLN A 1 26 ? 41.755 4.035 23.662 1.00 34.40 ? 367 GLN A C 1 ATOM 208 O O . GLN A 1 26 ? 41.426 4.197 24.841 1.00 34.82 ? 367 GLN A O 1 ATOM 209 C CB . GLN A 1 26 ? 43.497 2.445 24.362 1.00 35.60 ? 367 GLN A CB 1 ATOM 210 C CG . GLN A 1 26 ? 43.433 1.075 24.955 1.00 40.29 ? 367 GLN A CG 1 ATOM 211 C CD . GLN A 1 26 ? 43.668 -0.003 23.954 1.00 45.97 ? 367 GLN A CD 1 ATOM 212 O OE1 . GLN A 1 26 ? 44.811 -0.340 23.669 1.00 50.47 ? 367 GLN A OE1 1 ATOM 213 N NE2 . GLN A 1 26 ? 42.589 -0.568 23.418 1.00 47.98 ? 367 GLN A NE2 1 ATOM 214 N N . ASN A 1 27 ? 41.544 4.963 22.730 1.00 33.32 ? 368 ASN A N 1 ATOM 215 C CA . ASN A 1 27 ? 40.733 6.141 23.075 1.00 32.92 ? 368 ASN A CA 1 ATOM 216 C C . ASN A 1 27 ? 39.298 5.680 23.363 1.00 31.60 ? 368 ASN A C 1 ATOM 217 O O . ASN A 1 27 ? 38.591 6.255 24.190 1.00 31.95 ? 368 ASN A O 1 ATOM 218 C CB . ASN A 1 27 ? 40.709 7.199 21.957 1.00 33.57 ? 368 ASN A CB 1 ATOM 219 C CG . ASN A 1 27 ? 42.029 8.005 21.835 1.00 37.62 ? 368 ASN A CG 1 ATOM 220 O OD1 . ASN A 1 27 ? 42.916 7.951 22.698 1.00 39.80 ? 368 ASN A OD1 1 ATOM 221 N ND2 . ASN A 1 27 ? 42.141 8.753 20.729 1.00 43.81 ? 368 ASN A ND2 1 ATOM 222 N N . VAL A 1 28 ? 38.860 4.657 22.638 1.00 29.58 ? 369 VAL A N 1 ATOM 223 C CA . VAL A 1 28 ? 37.573 4.051 22.907 1.00 28.26 ? 369 VAL A CA 1 ATOM 224 C C . VAL A 1 28 ? 37.829 2.683 23.495 1.00 26.79 ? 369 VAL A C 1 ATOM 225 O O . VAL A 1 28 ? 38.693 1.936 23.010 1.00 25.55 ? 369 VAL A O 1 ATOM 226 C CB . VAL A 1 28 ? 36.743 3.922 21.647 1.00 28.55 ? 369 VAL A CB 1 ATOM 227 C CG1 . VAL A 1 28 ? 35.447 3.171 21.941 1.00 28.29 ? 369 VAL A CG1 1 ATOM 228 C CG2 . VAL A 1 28 ? 36.483 5.339 21.041 1.00 27.86 ? 369 VAL A CG2 1 ATOM 229 N N . THR A 1 29 ? 37.096 2.384 24.566 1.00 25.05 ? 370 THR A N 1 ATOM 230 C CA . THR A 1 29 ? 37.169 1.102 25.260 1.00 24.54 ? 370 THR A CA 1 ATOM 231 C C . THR A 1 29 ? 35.764 0.471 25.270 1.00 23.34 ? 370 THR A C 1 ATOM 232 O O . THR A 1 29 ? 34.801 1.149 24.944 1.00 23.73 ? 370 THR A O 1 ATOM 233 C CB . THR A 1 29 ? 37.805 1.370 26.621 1.00 23.91 ? 370 THR A CB 1 ATOM 234 O OG1 . THR A 1 29 ? 39.113 0.802 26.601 1.00 28.05 ? 370 THR A OG1 1 ATOM 235 C CG2 . THR A 1 29 ? 37.163 0.701 27.774 1.00 27.22 ? 370 THR A CG2 1 ATOM 236 N N . CYS A 1 30 ? 35.652 -0.813 25.587 1.00 22.49 ? 371 CYS A N 1 ATOM 237 C CA . CYS A 1 30 ? 34.384 -1.543 25.493 1.00 22.06 ? 371 CYS A CA 1 ATOM 238 C C . CYS A 1 30 ? 33.865 -2.177 26.785 1.00 23.10 ? 371 CYS A C 1 ATOM 239 O O . CYS A 1 30 ? 34.620 -2.792 27.545 1.00 23.87 ? 371 CYS A O 1 ATOM 240 C CB . CYS A 1 30 ? 34.521 -2.651 24.434 1.00 20.75 ? 371 CYS A CB 1 ATOM 241 S SG . CYS A 1 30 ? 34.962 -1.948 22.845 1.00 21.06 ? 371 CYS A SG 1 ATOM 242 N N . ALA A 1 31 ? 32.574 -1.987 27.032 1.00 21.71 ? 372 ALA A N 1 ATOM 243 C CA . ALA A 1 31 ? 31.868 -2.681 28.073 1.00 21.09 ? 372 ALA A CA 1 ATOM 244 C C . ALA A 1 31 ? 30.830 -3.517 27.289 1.00 21.06 ? 372 ALA A C 1 ATOM 245 O O . ALA A 1 31 ? 30.415 -3.112 26.228 1.00 19.48 ? 372 ALA A O 1 ATOM 246 C CB . ALA A 1 31 ? 31.166 -1.676 28.972 1.00 21.15 ? 372 ALA A CB 1 ATOM 247 N N . THR A 1 32 ? 30.395 -4.657 27.806 1.00 21.55 ? 373 THR A N 1 ATOM 248 C CA . THR A 1 32 ? 29.421 -5.463 27.075 1.00 22.80 ? 373 THR A CA 1 ATOM 249 C C . THR A 1 32 ? 28.341 -5.930 27.997 1.00 21.93 ? 373 THR A C 1 ATOM 250 O O . THR A 1 32 ? 28.590 -6.193 29.168 1.00 23.79 ? 373 THR A O 1 ATOM 251 C CB . THR A 1 32 ? 30.100 -6.653 26.354 1.00 23.01 ? 373 THR A CB 1 ATOM 252 O OG1 . THR A 1 32 ? 31.012 -6.131 25.387 1.00 26.42 ? 373 THR A OG1 1 ATOM 253 C CG2 . THR A 1 32 ? 29.088 -7.408 25.464 1.00 24.34 ? 373 THR A CG2 1 ATOM 254 N N . ALA A 1 33 ? 27.128 -6.018 27.468 1.00 21.60 ? 374 ALA A N 1 ATOM 255 C CA . ALA A 1 33 ? 25.979 -6.465 28.263 1.00 20.59 ? 374 ALA A CA 1 ATOM 256 C C . ALA A 1 33 ? 25.077 -7.290 27.383 1.00 18.91 ? 374 ALA A C 1 ATOM 257 O O . ALA A 1 33 ? 25.179 -7.204 26.166 1.00 20.29 ? 374 ALA A O 1 ATOM 258 C CB . ALA A 1 33 ? 25.216 -5.237 28.843 1.00 20.03 ? 374 ALA A CB 1 ATOM 259 N N . SER A 1 34 ? 24.202 -8.104 27.966 1.00 18.61 ? 375 SER A N 1 ATOM 260 C CA . SER A 1 34 ? 23.309 -8.918 27.147 1.00 19.01 ? 375 SER A CA 1 ATOM 261 C C . SER A 1 34 ? 22.091 -8.201 26.544 1.00 18.03 ? 375 SER A C 1 ATOM 262 O O . SER A 1 34 ? 21.451 -8.696 25.598 1.00 18.05 ? 375 SER A O 1 ATOM 263 C CB . SER A 1 34 ? 22.889 -10.173 27.914 1.00 20.34 ? 375 SER A CB 1 ATOM 264 O OG . SER A 1 34 ? 24.076 -10.955 28.100 1.00 26.01 ? 375 SER A OG 1 ATOM 265 N N . THR A 1 35 ? 21.734 -7.050 27.084 1.00 16.71 ? 376 THR A N 1 ATOM 266 C CA . THR A 1 35 ? 20.588 -6.339 26.521 1.00 17.23 ? 376 THR A CA 1 ATOM 267 C C . THR A 1 35 ? 20.818 -4.866 26.602 1.00 16.59 ? 376 THR A C 1 ATOM 268 O O . THR A 1 35 ? 21.727 -4.425 27.277 1.00 18.04 ? 376 THR A O 1 ATOM 269 C CB . THR A 1 35 ? 19.299 -6.686 27.319 1.00 17.45 ? 376 THR A CB 1 ATOM 270 O OG1 . THR A 1 35 ? 19.334 -6.007 28.583 1.00 15.28 ? 376 THR A OG1 1 ATOM 271 C CG2 . THR A 1 35 ? 19.310 -8.156 27.715 1.00 17.63 ? 376 THR A CG2 1 ATOM 272 N N . THR A 1 36 ? 20.013 -4.115 25.883 1.00 15.89 ? 377 THR A N 1 ATOM 273 C CA . THR A 1 36 ? 20.176 -2.705 25.802 1.00 16.06 ? 377 THR A CA 1 ATOM 274 C C . THR A 1 36 ? 19.861 -2.128 27.156 1.00 16.70 ? 377 THR A C 1 ATOM 275 O O . THR A 1 36 ? 20.549 -1.234 27.605 1.00 16.14 ? 377 THR A O 1 ATOM 276 C CB . THR A 1 36 ? 19.199 -2.115 24.768 1.00 16.77 ? 377 THR A CB 1 ATOM 277 O OG1 . THR A 1 36 ? 19.553 -2.575 23.450 1.00 16.42 ? 377 THR A OG1 1 ATOM 278 C CG2 . THR A 1 36 ? 19.326 -0.583 24.703 1.00 13.73 ? 377 THR A CG2 1 ATOM 279 N N . ASP A 1 37 ? 18.789 -2.618 27.785 1.00 17.27 ? 378 ASP A N 1 ATOM 280 C CA . ASP A 1 37 ? 18.413 -2.151 29.111 1.00 18.37 ? 378 ASP A CA 1 ATOM 281 C C . ASP A 1 37 ? 19.581 -2.262 30.075 1.00 17.45 ? 378 ASP A C 1 ATOM 282 O O . ASP A 1 37 ? 19.796 -1.404 30.925 1.00 17.02 ? 378 ASP A O 1 ATOM 283 C CB . ASP A 1 37 ? 17.224 -2.961 29.626 1.00 19.84 ? 378 ASP A CB 1 ATOM 284 C CG . ASP A 1 37 ? 15.918 -2.465 29.053 1.00 23.78 ? 378 ASP A CG 1 ATOM 285 O OD1 . ASP A 1 37 ? 15.802 -1.230 28.819 1.00 28.73 ? 378 ASP A OD1 1 ATOM 286 O OD2 . ASP A 1 37 ? 14.949 -3.183 28.792 1.00 30.20 ? 378 ASP A OD2 1 ATOM 287 N N . ASP A 1 38 ? 20.319 -3.363 29.975 1.00 16.02 ? 379 ASP A N 1 ATOM 288 C CA . ASP A 1 38 ? 21.476 -3.502 30.833 1.00 16.19 ? 379 ASP A CA 1 ATOM 289 C C . ASP A 1 38 ? 22.565 -2.473 30.552 1.00 15.56 ? 379 ASP A C 1 ATOM 290 O O . ASP A 1 38 ? 23.249 -2.051 31.472 1.00 14.79 ? 379 ASP A O 1 ATOM 291 C CB . ASP A 1 38 ? 22.070 -4.882 30.678 1.00 16.27 ? 379 ASP A CB 1 ATOM 292 C CG . ASP A 1 38 ? 21.378 -5.929 31.554 1.00 19.97 ? 379 ASP A CG 1 ATOM 293 O OD1 . ASP A 1 38 ? 20.362 -5.607 32.256 1.00 22.23 ? 379 ASP A OD1 1 ATOM 294 O OD2 . ASP A 1 38 ? 21.805 -7.105 31.598 1.00 25.57 ? 379 ASP A OD2 1 ATOM 295 N N . CYS A 1 39 ? 22.797 -2.197 29.273 1.00 15.40 ? 380 CYS A N 1 ATOM 296 C CA . CYS A 1 39 ? 23.797 -1.211 28.879 1.00 16.22 ? 380 CYS A CA 1 ATOM 297 C C . CYS A 1 39 ? 23.401 0.135 29.467 1.00 16.75 ? 380 CYS A C 1 ATOM 298 O O . CYS A 1 39 ? 24.257 0.877 29.916 1.00 17.64 ? 380 CYS A O 1 ATOM 299 C CB . CYS A 1 39 ? 23.857 -1.092 27.351 1.00 14.70 ? 380 CYS A CB 1 ATOM 300 S SG . CYS A 1 39 ? 25.197 -2.053 26.699 1.00 17.19 ? 380 CYS A SG 1 ATOM 301 N N . ILE A 1 40 ? 22.094 0.386 29.505 1.00 16.56 ? 381 ILE A N 1 ATOM 302 C CA . ILE A 1 40 ? 21.605 1.628 30.066 1.00 17.94 ? 381 ILE A CA 1 ATOM 303 C C . ILE A 1 40 ? 21.962 1.812 31.537 1.00 18.05 ? 381 ILE A C 1 ATOM 304 O O . ILE A 1 40 ? 22.363 2.899 31.962 1.00 18.54 ? 381 ILE A O 1 ATOM 305 C CB . ILE A 1 40 ? 20.097 1.890 29.813 1.00 19.07 ? 381 ILE A CB 1 ATOM 306 C CG1 . ILE A 1 40 ? 19.852 2.211 28.333 1.00 17.63 ? 381 ILE A CG1 1 ATOM 307 C CG2 . ILE A 1 40 ? 19.647 3.165 30.602 1.00 18.84 ? 381 ILE A CG2 1 ATOM 308 C CD1 . ILE A 1 40 ? 18.373 2.190 27.910 1.00 16.39 ? 381 ILE A CD1 1 ATOM 309 N N . VAL A 1 41 ? 21.858 0.712 32.282 1.00 18.23 ? 382 VAL A N 1 ATOM 310 C CA . VAL A 1 41 ? 22.195 0.646 33.697 1.00 17.34 ? 382 VAL A CA 1 ATOM 311 C C . VAL A 1 41 ? 23.698 0.845 33.864 1.00 17.53 ? 382 VAL A C 1 ATOM 312 O O . VAL A 1 41 ? 24.129 1.565 34.777 1.00 16.17 ? 382 VAL A O 1 ATOM 313 C CB . VAL A 1 41 ? 21.805 -0.771 34.277 1.00 17.51 ? 382 VAL A CB 1 ATOM 314 C CG1 . VAL A 1 41 ? 22.517 -1.062 35.553 1.00 17.20 ? 382 VAL A CG1 1 ATOM 315 C CG2 . VAL A 1 41 ? 20.301 -0.857 34.472 1.00 18.83 ? 382 VAL A CG2 1 ATOM 316 N N . LEU A 1 42 ? 24.494 0.192 32.990 1.00 15.94 ? 383 LEU A N 1 ATOM 317 C CA . LEU A 1 42 ? 25.938 0.397 33.030 1.00 15.97 ? 383 LEU A CA 1 ATOM 318 C C . LEU A 1 42 ? 26.260 1.884 32.887 1.00 16.15 ? 383 LEU A C 1 ATOM 319 O O . LEU A 1 42 ? 27.126 2.400 33.574 1.00 17.92 ? 383 LEU A O 1 ATOM 320 C CB . LEU A 1 42 ? 26.644 -0.435 31.954 1.00 15.87 ? 383 LEU A CB 1 ATOM 321 C CG . LEU A 1 42 ? 26.732 -1.929 32.179 1.00 14.89 ? 383 LEU A CG 1 ATOM 322 C CD1 . LEU A 1 42 ? 27.580 -2.584 31.101 1.00 20.24 ? 383 LEU A CD1 1 ATOM 323 C CD2 . LEU A 1 42 ? 27.271 -2.263 33.563 1.00 18.71 ? 383 LEU A CD2 1 ATOM 324 N N . VAL A 1 43 ? 25.572 2.579 31.996 1.00 14.98 ? 384 VAL A N 1 ATOM 325 C CA . VAL A 1 43 ? 25.817 4.026 31.855 1.00 15.28 ? 384 VAL A CA 1 ATOM 326 C C . VAL A 1 43 ? 25.397 4.819 33.106 1.00 15.49 ? 384 VAL A C 1 ATOM 327 O O . VAL A 1 43 ? 26.123 5.655 33.623 1.00 17.13 ? 384 VAL A O 1 ATOM 328 C CB . VAL A 1 43 ? 25.120 4.616 30.602 1.00 14.02 ? 384 VAL A CB 1 ATOM 329 C CG1 . VAL A 1 43 ? 25.292 6.189 30.534 1.00 11.29 ? 384 VAL A CG1 1 ATOM 330 C CG2 . VAL A 1 43 ? 25.618 3.915 29.322 1.00 15.09 ? 384 VAL A CG2 1 ATOM 331 N N . LEU A 1 44 ? 24.228 4.540 33.625 1.00 17.19 ? 385 LEU A N 1 ATOM 332 C CA . LEU A 1 44 ? 23.781 5.188 34.860 1.00 18.44 ? 385 LEU A CA 1 ATOM 333 C C . LEU A 1 44 ? 24.775 4.990 35.988 1.00 19.26 ? 385 LEU A C 1 ATOM 334 O O . LEU A 1 44 ? 25.046 5.897 36.814 1.00 19.00 ? 385 LEU A O 1 ATOM 335 C CB . LEU A 1 44 ? 22.430 4.606 35.289 1.00 18.94 ? 385 LEU A CB 1 ATOM 336 C CG . LEU A 1 44 ? 21.242 5.092 34.475 1.00 22.91 ? 385 LEU A CG 1 ATOM 337 C CD1 . LEU A 1 44 ? 19.939 4.336 34.804 1.00 25.99 ? 385 LEU A CD1 1 ATOM 338 C CD2 . LEU A 1 44 ? 21.089 6.564 34.831 1.00 22.81 ? 385 LEU A CD2 1 ATOM 339 N N . LYS A 1 45 ? 25.364 3.810 36.041 1.00 18.52 ? 386 LYS A N 1 ATOM 340 C CA . LYS A 1 45 ? 26.311 3.623 37.112 1.00 19.47 ? 386 LYS A CA 1 ATOM 341 C C . LYS A 1 45 ? 27.652 4.302 36.862 1.00 19.68 ? 386 LYS A C 1 ATOM 342 O O . LYS A 1 45 ? 28.435 4.406 37.780 1.00 20.61 ? 386 LYS A O 1 ATOM 343 C CB . LYS A 1 45 ? 26.530 2.139 37.390 1.00 18.33 ? 386 LYS A CB 1 ATOM 344 C CG . LYS A 1 45 ? 25.327 1.426 37.970 1.00 20.35 ? 386 LYS A CG 1 ATOM 345 C CD . LYS A 1 45 ? 25.767 0.012 38.500 1.00 23.37 ? 386 LYS A CD 1 ATOM 346 C CE . LYS A 1 45 ? 26.000 -1.002 37.354 1.00 22.99 ? 386 LYS A CE 1 ATOM 347 N NZ . LYS A 1 45 ? 26.611 -2.357 37.751 1.00 29.44 ? 386 LYS A NZ 1 ATOM 348 N N . GLY A 1 46 ? 27.923 4.704 35.624 1.00 20.20 ? 387 GLY A N 1 ATOM 349 C CA . GLY A 1 46 ? 29.193 5.310 35.265 1.00 20.02 ? 387 GLY A CA 1 ATOM 350 C C . GLY A 1 46 ? 30.239 4.295 34.868 1.00 20.21 ? 387 GLY A C 1 ATOM 351 O O . GLY A 1 46 ? 31.418 4.620 34.751 1.00 20.43 ? 387 GLY A O 1 ATOM 352 N N . GLU A 1 47 ? 29.798 3.059 34.645 1.00 21.06 ? 388 GLU A N 1 ATOM 353 C CA . GLU A 1 47 ? 30.659 1.948 34.245 1.00 20.03 ? 388 GLU A CA 1 ATOM 354 C C . GLU A 1 47 ? 30.863 1.929 32.739 1.00 19.32 ? 388 GLU A C 1 ATOM 355 O O . GLU A 1 47 ? 31.803 1.279 32.206 1.00 18.49 ? 388 GLU A O 1 ATOM 356 C CB . GLU A 1 47 ? 30.100 0.611 34.776 1.00 20.91 ? 388 GLU A CB 1 ATOM 357 C CG . GLU A 1 47 ? 30.593 0.334 36.192 1.00 22.85 ? 388 GLU A CG 1 ATOM 358 C CD . GLU A 1 47 ? 29.792 -0.741 36.927 1.00 23.78 ? 388 GLU A CD 1 ATOM 359 O OE1 . GLU A 1 47 ? 29.391 -0.512 38.099 1.00 25.15 ? 388 GLU A OE1 1 ATOM 360 O OE2 . GLU A 1 47 ? 29.569 -1.797 36.345 1.00 20.86 ? 388 GLU A OE2 1 ATOM 361 N N . ALA A 1 48 ? 29.943 2.595 32.049 1.00 17.68 ? 389 ALA A N 1 ATOM 362 C CA . ALA A 1 48 ? 30.026 2.766 30.613 1.00 16.83 ? 389 ALA A CA 1 ATOM 363 C C . ALA A 1 48 ? 29.633 4.244 30.344 1.00 16.71 ? 389 ALA A C 1 ATOM 364 O O . ALA A 1 48 ? 28.950 4.869 31.162 1.00 15.10 ? 389 ALA A O 1 ATOM 365 C CB . ALA A 1 48 ? 29.109 1.758 29.883 1.00 18.15 ? 389 ALA A CB 1 ATOM 366 N N . ASP A 1 49 ? 30.085 4.796 29.228 1.00 15.78 ? 390 ASP A N 1 ATOM 367 C CA . ASP A 1 49 ? 29.758 6.193 28.939 1.00 16.55 ? 390 ASP A CA 1 ATOM 368 C C . ASP A 1 49 ? 28.601 6.410 27.969 1.00 16.55 ? 390 ASP A C 1 ATOM 369 O O . ASP A 1 49 ? 27.772 7.349 28.168 1.00 17.58 ? 390 ASP A O 1 ATOM 370 C CB . ASP A 1 49 ? 30.959 6.936 28.360 1.00 16.03 ? 390 ASP A CB 1 ATOM 371 C CG . ASP A 1 49 ? 32.080 7.103 29.355 1.00 20.01 ? 390 ASP A CG 1 ATOM 372 O OD1 . ASP A 1 49 ? 31.852 7.696 30.428 1.00 19.32 ? 390 ASP A OD1 1 ATOM 373 O OD2 . ASP A 1 49 ? 33.231 6.641 29.139 1.00 20.93 ? 390 ASP A OD2 1 ATOM 374 N N . ALA A 1 50 ? 28.535 5.592 26.925 1.00 15.06 ? 391 ALA A N 1 ATOM 375 C CA . ALA A 1 50 ? 27.576 5.842 25.855 1.00 15.00 ? 391 ALA A CA 1 ATOM 376 C C . ALA A 1 50 ? 27.239 4.681 24.942 1.00 15.35 ? 391 ALA A C 1 ATOM 377 O O . ALA A 1 50 ? 27.908 3.697 24.926 1.00 15.50 ? 391 ALA A O 1 ATOM 378 C CB . ALA A 1 50 ? 28.054 7.025 25.000 1.00 15.64 ? 391 ALA A CB 1 ATOM 379 N N . LEU A 1 51 ? 26.178 4.838 24.169 1.00 15.35 ? 392 LEU A N 1 ATOM 380 C CA . LEU A 1 51 ? 25.790 3.859 23.170 1.00 16.59 ? 392 LEU A CA 1 ATOM 381 C C . LEU A 1 51 ? 24.760 4.559 22.318 1.00 17.00 ? 392 LEU A C 1 ATOM 382 O O . LEU A 1 51 ? 24.193 5.582 22.748 1.00 16.03 ? 392 LEU A O 1 ATOM 383 C CB . LEU A 1 51 ? 25.245 2.553 23.770 1.00 15.23 ? 392 LEU A CB 1 ATOM 384 C CG . LEU A 1 51 ? 23.836 2.505 24.363 1.00 17.40 ? 392 LEU A CG 1 ATOM 385 C CD1 . LEU A 1 51 ? 23.360 1.048 24.485 1.00 16.30 ? 392 LEU A CD1 1 ATOM 386 C CD2 . LEU A 1 51 ? 23.725 3.218 25.734 1.00 14.90 ? 392 LEU A CD2 1 ATOM 387 N N . ASN A 1 52 ? 24.559 4.015 21.118 1.00 16.04 ? 393 ASN A N 1 ATOM 388 C CA . ASN A 1 52 ? 23.585 4.484 20.164 1.00 17.85 ? 393 ASN A CA 1 ATOM 389 C C . ASN A 1 52 ? 22.258 3.674 20.387 1.00 17.97 ? 393 ASN A C 1 ATOM 390 O O . ASN A 1 52 ? 22.276 2.436 20.561 1.00 17.31 ? 393 ASN A O 1 ATOM 391 C CB . ASN A 1 52 ? 24.194 4.234 18.763 1.00 18.60 ? 393 ASN A CB 1 ATOM 392 C CG . ASN A 1 52 ? 23.347 4.744 17.647 1.00 21.49 ? 393 ASN A CG 1 ATOM 393 O OD1 . ASN A 1 52 ? 22.905 5.865 17.670 1.00 24.78 ? 393 ASN A OD1 1 ATOM 394 N ND2 . ASN A 1 52 ? 23.113 3.921 16.660 1.00 24.10 ? 393 ASN A ND2 1 ATOM 395 N N . LEU A 1 53 ? 21.127 4.375 20.398 1.00 17.75 ? 394 LEU A N 1 ATOM 396 C CA . LEU A 1 53 ? 19.848 3.768 20.709 1.00 17.61 ? 394 LEU A CA 1 ATOM 397 C C . LEU A 1 53 ? 18.689 4.146 19.808 1.00 17.17 ? 394 LEU A C 1 ATOM 398 O O . LEU A 1 53 ? 18.520 5.301 19.364 1.00 17.01 ? 394 LEU A O 1 ATOM 399 C CB . LEU A 1 53 ? 19.415 4.126 22.133 1.00 18.20 ? 394 LEU A CB 1 ATOM 400 C CG . LEU A 1 53 ? 20.282 3.752 23.316 1.00 18.06 ? 394 LEU A CG 1 ATOM 401 C CD1 . LEU A 1 53 ? 19.804 4.498 24.572 1.00 22.23 ? 394 LEU A CD1 1 ATOM 402 C CD2 . LEU A 1 53 ? 20.189 2.306 23.560 1.00 14.37 ? 394 LEU A CD2 1 ATOM 403 N N . ASP A 1 54 ? 17.827 3.165 19.587 1.00 15.74 ? 395 ASP A N 1 ATOM 404 C CA . ASP A 1 54 ? 16.659 3.425 18.838 1.00 13.72 ? 395 ASP A CA 1 ATOM 405 C C . ASP A 1 54 ? 15.768 4.344 19.742 1.00 14.16 ? 395 ASP A C 1 ATOM 406 O O . ASP A 1 54 ? 15.919 4.366 20.970 1.00 13.34 ? 395 ASP A O 1 ATOM 407 C CB . ASP A 1 54 ? 15.990 2.096 18.540 1.00 13.45 ? 395 ASP A CB 1 ATOM 408 C CG . ASP A 1 54 ? 14.534 2.276 18.177 1.00 15.19 ? 395 ASP A CG 1 ATOM 409 O OD1 . ASP A 1 54 ? 14.207 2.669 17.034 1.00 16.55 ? 395 ASP A OD1 1 ATOM 410 O OD2 . ASP A 1 54 ? 13.641 2.114 18.991 1.00 14.86 ? 395 ASP A OD2 1 ATOM 411 N N . GLY A 1 55 ? 14.873 5.103 19.128 1.00 13.10 ? 396 GLY A N 1 ATOM 412 C CA . GLY A 1 55 ? 13.974 5.991 19.825 1.00 13.70 ? 396 GLY A CA 1 ATOM 413 C C . GLY A 1 55 ? 13.221 5.438 20.999 1.00 14.72 ? 396 GLY A C 1 ATOM 414 O O . GLY A 1 55 ? 12.985 6.163 21.937 1.00 14.79 ? 396 GLY A O 1 ATOM 415 N N . GLY A 1 56 ? 12.800 4.175 20.941 1.00 16.00 ? 397 GLY A N 1 ATOM 416 C CA . GLY A 1 56 ? 12.048 3.606 22.036 1.00 17.05 ? 397 GLY A CA 1 ATOM 417 C C . GLY A 1 56 ? 12.860 3.493 23.299 1.00 17.74 ? 397 GLY A C 1 ATOM 418 O O . GLY A 1 56 ? 12.338 3.668 24.412 1.00 18.22 ? 397 GLY A O 1 ATOM 419 N N . TYR A 1 57 ? 14.150 3.220 23.128 1.00 18.41 ? 398 TYR A N 1 ATOM 420 C CA . TYR A 1 57 ? 15.064 3.109 24.242 1.00 18.81 ? 398 TYR A CA 1 ATOM 421 C C . TYR A 1 57 ? 15.464 4.469 24.733 1.00 19.14 ? 398 TYR A C 1 ATOM 422 O O . TYR A 1 57 ? 15.777 4.640 25.923 1.00 21.74 ? 398 TYR A O 1 ATOM 423 C CB . TYR A 1 57 ? 16.323 2.383 23.813 1.00 18.80 ? 398 TYR A CB 1 ATOM 424 C CG . TYR A 1 57 ? 16.145 0.949 23.415 1.00 21.87 ? 398 TYR A CG 1 ATOM 425 C CD1 . TYR A 1 57 ? 15.411 0.072 24.218 1.00 22.74 ? 398 TYR A CD1 1 ATOM 426 C CD2 . TYR A 1 57 ? 16.770 0.439 22.260 1.00 21.67 ? 398 TYR A CD2 1 ATOM 427 C CE1 . TYR A 1 57 ? 15.256 -1.257 23.860 1.00 24.88 ? 398 TYR A CE1 1 ATOM 428 C CE2 . TYR A 1 57 ? 16.629 -0.901 21.902 1.00 24.53 ? 398 TYR A CE2 1 ATOM 429 C CZ . TYR A 1 57 ? 15.878 -1.755 22.717 1.00 25.86 ? 398 TYR A CZ 1 ATOM 430 O OH . TYR A 1 57 ? 15.735 -3.128 22.392 1.00 25.99 ? 398 TYR A OH 1 ATOM 431 N N . ILE A 1 58 ? 15.477 5.462 23.858 1.00 18.81 ? 399 ILE A N 1 ATOM 432 C CA . ILE A 1 58 ? 15.834 6.819 24.320 1.00 18.70 ? 399 ILE A CA 1 ATOM 433 C C . ILE A 1 58 ? 14.760 7.318 25.290 1.00 19.35 ? 399 ILE A C 1 ATOM 434 O O . ILE A 1 58 ? 15.015 8.126 26.185 1.00 20.37 ? 399 ILE A O 1 ATOM 435 C CB . ILE A 1 58 ? 16.003 7.804 23.117 1.00 18.43 ? 399 ILE A CB 1 ATOM 436 C CG1 . ILE A 1 58 ? 17.123 7.356 22.176 1.00 15.85 ? 399 ILE A CG1 1 ATOM 437 C CG2 . ILE A 1 58 ? 16.246 9.288 23.572 1.00 17.16 ? 399 ILE A CG2 1 ATOM 438 C CD1 . ILE A 1 58 ? 17.264 8.341 20.909 1.00 12.65 ? 399 ILE A CD1 1 ATOM 439 N N . TYR A 1 59 ? 13.548 6.850 25.128 1.00 20.74 ? 400 TYR A N 1 ATOM 440 C CA . TYR A 1 59 ? 12.482 7.256 26.055 1.00 22.22 ? 400 TYR A CA 1 ATOM 441 C C . TYR A 1 59 ? 12.770 6.620 27.428 1.00 22.19 ? 400 TYR A C 1 ATOM 442 O O . TYR A 1 59 ? 12.722 7.292 28.477 1.00 22.59 ? 400 TYR A O 1 ATOM 443 C CB . TYR A 1 59 ? 11.106 6.883 25.466 1.00 23.22 ? 400 TYR A CB 1 ATOM 444 C CG . TYR A 1 59 ? 9.942 7.057 26.404 1.00 26.19 ? 400 TYR A CG 1 ATOM 445 C CD1 . TYR A 1 59 ? 9.301 8.278 26.528 1.00 29.40 ? 400 TYR A CD1 1 ATOM 446 C CD2 . TYR A 1 59 ? 9.494 5.998 27.190 1.00 29.46 ? 400 TYR A CD2 1 ATOM 447 C CE1 . TYR A 1 59 ? 8.224 8.449 27.406 1.00 30.39 ? 400 TYR A CE1 1 ATOM 448 C CE2 . TYR A 1 59 ? 8.435 6.159 28.059 1.00 31.49 ? 400 TYR A CE2 1 ATOM 449 C CZ . TYR A 1 59 ? 7.805 7.388 28.154 1.00 32.10 ? 400 TYR A CZ 1 ATOM 450 O OH . TYR A 1 59 ? 6.764 7.530 29.029 1.00 35.68 ? 400 TYR A OH 1 ATOM 451 N N . THR A 1 60 ? 13.166 5.350 27.420 1.00 22.04 ? 401 THR A N 1 ATOM 452 C CA . THR A 1 60 ? 13.552 4.692 28.659 1.00 22.32 ? 401 THR A CA 1 ATOM 453 C C . THR A 1 60 ? 14.745 5.395 29.308 1.00 21.81 ? 401 THR A C 1 ATOM 454 O O . THR A 1 60 ? 14.763 5.613 30.518 1.00 21.18 ? 401 THR A O 1 ATOM 455 C CB . THR A 1 60 ? 13.955 3.243 28.375 1.00 22.42 ? 401 THR A CB 1 ATOM 456 O OG1 . THR A 1 60 ? 12.787 2.480 28.076 1.00 26.01 ? 401 THR A OG1 1 ATOM 457 C CG2 . THR A 1 60 ? 14.481 2.503 29.631 1.00 22.95 ? 401 THR A CG2 1 ATOM 458 N N . ALA A 1 61 ? 15.750 5.707 28.498 1.00 20.36 ? 402 ALA A N 1 ATOM 459 C CA . ALA A 1 61 ? 16.987 6.266 29.011 1.00 20.01 ? 402 ALA A CA 1 ATOM 460 C C . ALA A 1 61 ? 16.761 7.701 29.507 1.00 19.26 ? 402 ALA A C 1 ATOM 461 O O . ALA A 1 61 ? 17.368 8.142 30.483 1.00 21.15 ? 402 ALA A O 1 ATOM 462 C CB . ALA A 1 61 ? 18.066 6.224 27.904 1.00 18.59 ? 402 ALA A CB 1 ATOM 463 N N . GLY A 1 62 ? 15.900 8.426 28.807 1.00 20.81 ? 403 GLY A N 1 ATOM 464 C CA . GLY A 1 62 ? 15.632 9.821 29.111 1.00 20.18 ? 403 GLY A CA 1 ATOM 465 C C . GLY A 1 62 ? 14.958 9.990 30.468 1.00 21.08 ? 403 GLY A C 1 ATOM 466 O O . GLY A 1 62 ? 15.235 10.969 31.174 1.00 20.66 ? 403 GLY A O 1 ATOM 467 N N . LYS A 1 63 ? 14.009 9.128 30.798 1.00 21.68 ? 404 LYS A N 1 ATOM 468 C CA . LYS A 1 63 ? 13.352 9.134 32.110 1.00 23.82 ? 404 LYS A CA 1 ATOM 469 C C . LYS A 1 63 ? 14.361 8.915 33.238 1.00 24.58 ? 404 LYS A C 1 ATOM 470 O O . LYS A 1 63 ? 14.203 9.470 34.338 1.00 25.33 ? 404 LYS A O 1 ATOM 471 C CB . LYS A 1 63 ? 12.291 8.046 32.175 1.00 24.56 ? 404 LYS A CB 1 ATOM 472 C CG . LYS A 1 63 ? 11.115 8.262 31.241 1.00 26.42 ? 404 LYS A CG 1 ATOM 473 C CD . LYS A 1 63 ? 9.801 8.064 31.965 1.00 31.36 ? 404 LYS A CD 1 ATOM 474 C CE . LYS A 1 63 ? 8.681 8.859 31.280 1.00 36.76 ? 404 LYS A CE 1 ATOM 475 N NZ . LYS A 1 63 ? 8.966 10.347 31.165 1.00 39.33 ? 404 LYS A NZ 1 ATOM 476 N N . CYS A 1 64 ? 15.410 8.130 32.973 1.00 23.93 ? 405 CYS A N 1 ATOM 477 C CA . CYS A 1 64 ? 16.475 7.942 33.968 1.00 23.87 ? 405 CYS A CA 1 ATOM 478 C C . CYS A 1 64 ? 17.538 9.056 33.949 1.00 22.09 ? 405 CYS A C 1 ATOM 479 O O . CYS A 1 64 ? 18.544 8.997 34.663 1.00 21.08 ? 405 CYS A O 1 ATOM 480 C CB . CYS A 1 64 ? 17.124 6.566 33.791 1.00 24.11 ? 405 CYS A CB 1 ATOM 481 S SG . CYS A 1 64 ? 15.917 5.239 33.920 1.00 32.39 ? 405 CYS A SG 1 ATOM 482 N N . GLY A 1 65 ? 17.345 10.045 33.095 1.00 20.97 ? 406 GLY A N 1 ATOM 483 C CA . GLY A 1 65 ? 18.259 11.167 33.072 1.00 21.16 ? 406 GLY A CA 1 ATOM 484 C C . GLY A 1 65 ? 19.322 11.173 31.979 1.00 20.96 ? 406 GLY A C 1 ATOM 485 O O . GLY A 1 65 ? 20.107 12.117 31.903 1.00 23.30 ? 406 GLY A O 1 ATOM 486 N N . LEU A 1 66 ? 19.341 10.180 31.102 1.00 18.43 ? 407 LEU A N 1 ATOM 487 C CA . LEU A 1 66 ? 20.303 10.208 30.005 1.00 18.75 ? 407 LEU A CA 1 ATOM 488 C C . LEU A 1 66 ? 19.844 11.178 28.929 1.00 17.47 ? 407 LEU A C 1 ATOM 489 O O . LEU A 1 66 ? 18.671 11.459 28.797 1.00 16.15 ? 407 LEU A O 1 ATOM 490 C CB . LEU A 1 66 ? 20.536 8.783 29.430 1.00 18.79 ? 407 LEU A CB 1 ATOM 491 C CG . LEU A 1 66 ? 21.043 7.799 30.484 1.00 17.48 ? 407 LEU A CG 1 ATOM 492 C CD1 . LEU A 1 66 ? 21.598 6.673 29.732 1.00 16.03 ? 407 LEU A CD1 1 ATOM 493 C CD2 . LEU A 1 66 ? 22.122 8.434 31.380 1.00 16.12 ? 407 LEU A CD2 1 ATOM 494 N N . VAL A 1 67 ? 20.794 11.686 28.178 1.00 17.88 ? 408 VAL A N 1 ATOM 495 C CA . VAL A 1 67 ? 20.499 12.710 27.202 1.00 17.99 ? 408 VAL A CA 1 ATOM 496 C C . VAL A 1 67 ? 21.030 12.326 25.822 1.00 20.06 ? 408 VAL A C 1 ATOM 497 O O . VAL A 1 67 ? 22.019 11.589 25.704 1.00 18.75 ? 408 VAL A O 1 ATOM 498 C CB . VAL A 1 67 ? 21.078 14.111 27.606 1.00 18.10 ? 408 VAL A CB 1 ATOM 499 C CG1 . VAL A 1 67 ? 20.417 14.645 28.937 1.00 17.37 ? 408 VAL A CG1 1 ATOM 500 C CG2 . VAL A 1 67 ? 22.601 14.072 27.768 1.00 16.09 ? 408 VAL A CG2 1 ATOM 501 N N . PRO A 1 68 ? 20.342 12.853 24.799 1.00 20.74 ? 409 PRO A N 1 ATOM 502 C CA . PRO A 1 68 ? 20.742 12.723 23.393 1.00 21.38 ? 409 PRO A CA 1 ATOM 503 C C . PRO A 1 68 ? 21.988 13.542 23.161 1.00 21.55 ? 409 PRO A C 1 ATOM 504 O O . PRO A 1 68 ? 22.053 14.681 23.625 1.00 22.49 ? 409 PRO A O 1 ATOM 505 C CB . PRO A 1 68 ? 19.599 13.391 22.632 1.00 21.39 ? 409 PRO A CB 1 ATOM 506 C CG . PRO A 1 68 ? 18.456 13.528 23.647 1.00 21.82 ? 409 PRO A CG 1 ATOM 507 C CD . PRO A 1 68 ? 19.124 13.666 24.970 1.00 20.55 ? 409 PRO A CD 1 ATOM 508 N N . VAL A 1 69 ? 22.968 12.982 22.462 1.00 21.61 ? 410 VAL A N 1 ATOM 509 C CA . VAL A 1 69 ? 24.233 13.673 22.215 1.00 21.75 ? 410 VAL A CA 1 ATOM 510 C C . VAL A 1 69 ? 24.459 13.989 20.733 1.00 22.17 ? 410 VAL A C 1 ATOM 511 O O . VAL A 1 69 ? 24.787 15.110 20.369 1.00 22.69 ? 410 VAL A O 1 ATOM 512 C CB . VAL A 1 69 ? 25.406 12.813 22.743 1.00 21.59 ? 410 VAL A CB 1 ATOM 513 C CG1 . VAL A 1 69 ? 26.683 13.536 22.605 1.00 23.01 ? 410 VAL A CG1 1 ATOM 514 C CG2 . VAL A 1 69 ? 25.199 12.499 24.213 1.00 23.30 ? 410 VAL A CG2 1 ATOM 515 N N . LEU A 1 70 ? 24.293 12.977 19.883 1.00 22.16 ? 411 LEU A N 1 ATOM 516 C CA . LEU A 1 70 ? 24.471 13.103 18.453 1.00 21.68 ? 411 LEU A CA 1 ATOM 517 C C . LEU A 1 70 ? 23.538 12.104 17.786 1.00 21.66 ? 411 LEU A C 1 ATOM 518 O O . LEU A 1 70 ? 23.322 11.013 18.314 1.00 20.55 ? 411 LEU A O 1 ATOM 519 C CB . LEU A 1 70 ? 25.923 12.746 18.061 1.00 22.85 ? 411 LEU A CB 1 ATOM 520 C CG . LEU A 1 70 ? 27.007 13.633 18.659 1.00 22.42 ? 411 LEU A CG 1 ATOM 521 C CD1 . LEU A 1 70 ? 28.344 12.995 18.452 1.00 26.70 ? 411 LEU A CD1 1 ATOM 522 C CD2 . LEU A 1 70 ? 26.977 15.040 18.045 1.00 24.64 ? 411 LEU A CD2 1 ATOM 523 N N . ALA A 1 71 ? 23.023 12.453 16.611 1.00 21.42 ? 412 ALA A N 1 ATOM 524 C CA . ALA A 1 71 ? 22.110 11.579 15.878 1.00 21.41 ? 412 ALA A CA 1 ATOM 525 C C . ALA A 1 71 ? 22.695 10.951 14.609 1.00 21.62 ? 412 ALA A C 1 ATOM 526 O O . ALA A 1 71 ? 23.541 11.565 13.956 1.00 21.42 ? 412 ALA A O 1 ATOM 527 C CB . ALA A 1 71 ? 20.851 12.364 15.523 1.00 21.56 ? 412 ALA A CB 1 ATOM 528 N N . GLU A 1 72 ? 22.249 9.723 14.271 1.00 21.46 ? 413 GLU A N 1 ATOM 529 C CA . GLU A 1 72 ? 22.535 9.099 12.990 1.00 21.66 ? 413 GLU A CA 1 ATOM 530 C C . GLU A 1 72 ? 21.900 9.971 11.909 1.00 23.69 ? 413 GLU A C 1 ATOM 531 O O . GLU A 1 72 ? 20.760 10.434 12.033 1.00 23.41 ? 413 GLU A O 1 ATOM 532 C CB . GLU A 1 72 ? 21.934 7.661 12.855 1.00 21.03 ? 413 GLU A CB 1 ATOM 533 C CG . GLU A 1 72 ? 22.493 6.580 13.755 1.00 18.90 ? 413 GLU A CG 1 ATOM 534 C CD . GLU A 1 72 ? 21.991 5.169 13.434 1.00 17.17 ? 413 GLU A CD 1 ATOM 535 O OE1 . GLU A 1 72 ? 20.946 4.971 12.805 1.00 17.46 ? 413 GLU A OE1 1 ATOM 536 O OE2 . GLU A 1 72 ? 22.637 4.225 13.868 1.00 14.53 ? 413 GLU A OE2 1 ATOM 537 N N . ASN A 1 73 ? 22.626 10.172 10.831 1.00 25.92 ? 414 ASN A N 1 ATOM 538 C CA . ASN A 1 73 ? 22.144 10.968 9.707 1.00 29.68 ? 414 ASN A CA 1 ATOM 539 C C . ASN A 1 73 ? 22.445 10.177 8.428 1.00 33.01 ? 414 ASN A C 1 ATOM 540 O O . ASN A 1 73 ? 23.588 9.906 8.144 1.00 33.65 ? 414 ASN A O 1 ATOM 541 C CB . ASN A 1 73 ? 22.944 12.265 9.705 1.00 28.71 ? 414 ASN A CB 1 ATOM 542 C CG . ASN A 1 73 ? 22.164 13.466 9.236 1.00 29.43 ? 414 ASN A CG 1 ATOM 543 O OD1 . ASN A 1 73 ? 22.735 14.561 9.123 1.00 29.68 ? 414 ASN A OD1 1 ATOM 544 N ND2 . ASN A 1 73 ? 20.870 13.307 8.991 1.00 29.15 ? 414 ASN A ND2 1 ATOM 545 N N . ARG A 1 74 ? 21.438 9.760 7.683 1.00 38.66 ? 415 ARG A N 1 ATOM 546 C CA . ARG A 1 74 ? 21.680 9.049 6.416 1.00 43.77 ? 415 ARG A CA 1 ATOM 547 C C . ARG A 1 74 ? 21.697 10.065 5.257 1.00 47.17 ? 415 ARG A C 1 ATOM 548 O O . ARG A 1 74 ? 21.220 11.188 5.402 1.00 48.33 ? 415 ARG A O 1 ATOM 549 C CB . ARG A 1 74 ? 20.612 7.965 6.186 1.00 43.79 ? 415 ARG A CB 1 ATOM 550 C CG . ARG A 1 74 ? 19.184 8.517 6.065 1.00 45.62 ? 415 ARG A CG 1 ATOM 551 C CD . ARG A 1 74 ? 18.112 7.458 5.876 1.00 50.66 ? 415 ARG A CD 1 ATOM 552 N NE . ARG A 1 74 ? 16.743 7.990 5.784 1.00 53.57 ? 415 ARG A NE 1 ATOM 553 C CZ . ARG A 1 74 ? 16.100 8.619 6.774 1.00 55.74 ? 415 ARG A CZ 1 ATOM 554 N NH1 . ARG A 1 74 ? 16.697 8.812 7.942 1.00 56.41 ? 415 ARG A NH1 1 ATOM 555 N NH2 . ARG A 1 74 ? 14.856 9.051 6.606 1.00 55.20 ? 415 ARG A NH2 1 ATOM 556 N N . LYS A 1 75 ? 22.245 9.690 4.111 1.00 51.62 ? 416 LYS A N 1 ATOM 557 C CA . LYS A 1 75 ? 22.332 10.634 2.996 1.00 55.80 ? 416 LYS A CA 1 ATOM 558 C C . LYS A 1 75 ? 20.969 11.018 2.433 1.00 58.05 ? 416 LYS A C 1 ATOM 559 O O . LYS A 1 75 ? 20.092 10.179 2.281 1.00 58.93 ? 416 LYS A O 1 ATOM 560 C CB . LYS A 1 75 ? 23.232 10.085 1.886 1.00 56.51 ? 416 LYS A CB 1 ATOM 561 C CG . LYS A 1 75 ? 22.774 8.762 1.286 1.00 58.45 ? 416 LYS A CG 1 ATOM 562 C CD . LYS A 1 75 ? 23.893 8.120 0.484 1.00 62.54 ? 416 LYS A CD 1 ATOM 563 C CE . LYS A 1 75 ? 24.851 7.341 1.391 1.00 64.61 ? 416 LYS A CE 1 ATOM 564 N NZ . LYS A 1 75 ? 25.506 8.240 2.389 1.00 65.54 ? 416 LYS A NZ 1 ATOM 565 N N . SER A 1 76 ? 20.784 12.284 2.110 1.00 60.51 ? 417 SER A N 1 ATOM 566 C CA . SER A 1 76 ? 19.498 12.699 1.585 1.00 63.11 ? 417 SER A CA 1 ATOM 567 C C . SER A 1 76 ? 19.660 13.525 0.318 1.00 64.69 ? 417 SER A C 1 ATOM 568 O O . SER A 1 76 ? 20.747 14.013 0.016 1.00 65.30 ? 417 SER A O 1 ATOM 569 C CB . SER A 1 76 ? 18.758 13.518 2.632 1.00 63.39 ? 417 SER A CB 1 ATOM 570 O OG . SER A 1 76 ? 19.343 14.811 2.758 1.00 63.88 ? 417 SER A OG 1 ATOM 571 N N . SER A 1 77 ? 18.567 13.681 -0.418 1.00 66.54 ? 418 SER A N 1 ATOM 572 C CA . SER A 1 77 ? 18.577 14.456 -1.651 1.00 68.04 ? 418 SER A CA 1 ATOM 573 C C . SER A 1 77 ? 18.422 15.949 -1.347 1.00 69.26 ? 418 SER A C 1 ATOM 574 O O . SER A 1 77 ? 19.164 16.782 -1.879 1.00 69.41 ? 418 SER A O 1 ATOM 575 C CB . SER A 1 77 ? 17.458 13.977 -2.578 1.00 68.09 ? 418 SER A CB 1 ATOM 576 O OG . SER A 1 77 ? 16.221 13.907 -1.888 1.00 67.66 ? 418 SER A OG 1 ATOM 577 N N . LYS A 1 78 ? 17.452 16.273 -0.488 1.00 70.37 ? 419 LYS A N 1 ATOM 578 C CA . LYS A 1 78 ? 17.193 17.653 -0.077 1.00 71.38 ? 419 LYS A CA 1 ATOM 579 C C . LYS A 1 78 ? 18.175 18.050 1.029 1.00 71.98 ? 419 LYS A C 1 ATOM 580 O O . LYS A 1 78 ? 18.725 17.173 1.709 1.00 72.25 ? 419 LYS A O 1 ATOM 581 C CB . LYS A 1 78 ? 15.743 17.795 0.399 1.00 71.62 ? 419 LYS A CB 1 ATOM 582 C CG . LYS A 1 78 ? 15.269 19.237 0.601 1.00 72.60 ? 419 LYS A CG 1 ATOM 583 C CD . LYS A 1 78 ? 15.567 19.755 2.008 1.00 73.41 ? 419 LYS A CD 1 ATOM 584 C CE . LYS A 1 78 ? 15.168 21.237 2.143 1.00 74.45 ? 419 LYS A CE 1 ATOM 585 N NZ . LYS A 1 78 ? 15.402 21.828 3.500 1.00 73.52 ? 419 LYS A NZ 1 ATOM 586 N N . HIS A 1 79 ? 18.394 19.360 1.200 1.00 72.42 ? 420 HIS A N 1 ATOM 587 C CA . HIS A 1 79 ? 19.325 19.869 2.209 1.00 72.79 ? 420 HIS A CA 1 ATOM 588 C C . HIS A 1 79 ? 20.747 19.510 1.816 1.00 72.17 ? 420 HIS A C 1 ATOM 589 O O . HIS A 1 79 ? 21.619 19.329 2.666 1.00 72.35 ? 420 HIS A O 1 ATOM 590 C CB . HIS A 1 79 ? 19.000 19.304 3.595 1.00 73.38 ? 420 HIS A CB 1 ATOM 591 C CG . HIS A 1 79 ? 18.257 20.259 4.476 1.00 75.23 ? 420 HIS A CG 1 ATOM 592 N ND1 . HIS A 1 79 ? 17.454 19.842 5.518 1.00 77.08 ? 420 HIS A ND1 1 ATOM 593 C CD2 . HIS A 1 79 ? 18.205 21.613 4.478 1.00 76.76 ? 420 HIS A CD2 1 ATOM 594 C CE1 . HIS A 1 79 ? 16.937 20.899 6.122 1.00 77.62 ? 420 HIS A CE1 1 ATOM 595 N NE2 . HIS A 1 79 ? 17.377 21.986 5.510 1.00 77.84 ? 420 HIS A NE2 1 ATOM 596 N N . SER A 1 80 ? 20.965 19.432 0.510 1.00 71.27 ? 421 SER A N 1 ATOM 597 C CA . SER A 1 80 ? 22.239 19.021 -0.064 1.00 70.12 ? 421 SER A CA 1 ATOM 598 C C . SER A 1 80 ? 23.372 19.987 0.226 1.00 69.11 ? 421 SER A C 1 ATOM 599 O O . SER A 1 80 ? 24.541 19.604 0.211 1.00 69.32 ? 421 SER A O 1 ATOM 600 C CB . SER A 1 80 ? 22.073 18.922 -1.571 1.00 70.55 ? 421 SER A CB 1 ATOM 601 O OG . SER A 1 80 ? 21.397 20.078 -2.047 1.00 70.47 ? 421 SER A OG 1 ATOM 602 N N . SER A 1 81 ? 23.018 21.242 0.476 1.00 67.33 ? 422 SER A N 1 ATOM 603 C CA . SER A 1 81 ? 24.003 22.285 0.725 1.00 65.23 ? 422 SER A CA 1 ATOM 604 C C . SER A 1 81 ? 24.871 22.069 1.966 1.00 63.46 ? 422 SER A C 1 ATOM 605 O O . SER A 1 81 ? 26.096 22.169 1.890 1.00 63.41 ? 422 SER A O 1 ATOM 606 C CB . SER A 1 81 ? 23.327 23.672 0.782 1.00 65.75 ? 422 SER A CB 1 ATOM 607 O OG . SER A 1 81 ? 22.112 23.612 1.511 1.00 65.55 ? 422 SER A OG 1 ATOM 608 N N . LEU A 1 82 ? 24.244 21.790 3.105 1.00 60.68 ? 423 LEU A N 1 ATOM 609 C CA . LEU A 1 82 ? 24.989 21.663 4.350 1.00 57.88 ? 423 LEU A CA 1 ATOM 610 C C . LEU A 1 82 ? 25.824 20.390 4.483 1.00 55.80 ? 423 LEU A C 1 ATOM 611 O O . LEU A 1 82 ? 25.535 19.359 3.858 1.00 55.34 ? 423 LEU A O 1 ATOM 612 C CB . LEU A 1 82 ? 24.032 21.775 5.529 1.00 58.27 ? 423 LEU A CB 1 ATOM 613 C CG . LEU A 1 82 ? 23.337 23.131 5.620 1.00 58.96 ? 423 LEU A CG 1 ATOM 614 C CD1 . LEU A 1 82 ? 22.318 23.119 6.755 1.00 59.74 ? 423 LEU A CD1 1 ATOM 615 C CD2 . LEU A 1 82 ? 24.359 24.235 5.818 1.00 59.80 ? 423 LEU A CD2 1 ATOM 616 N N . ASP A 1 83 ? 26.861 20.473 5.311 1.00 52.94 ? 424 ASP A N 1 ATOM 617 C CA . ASP A 1 83 ? 27.695 19.314 5.608 1.00 50.48 ? 424 ASP A CA 1 ATOM 618 C C . ASP A 1 83 ? 26.895 18.305 6.426 1.00 47.91 ? 424 ASP A C 1 ATOM 619 O O . ASP A 1 83 ? 25.979 18.691 7.152 1.00 47.58 ? 424 ASP A O 1 ATOM 620 C CB . ASP A 1 83 ? 28.911 19.729 6.412 1.00 50.51 ? 424 ASP A CB 1 ATOM 621 C CG . ASP A 1 83 ? 30.011 18.727 6.310 1.00 52.56 ? 424 ASP A CG 1 ATOM 622 O OD1 . ASP A 1 83 ? 30.526 18.566 5.176 1.00 52.16 ? 424 ASP A OD1 1 ATOM 623 O OD2 . ASP A 1 83 ? 30.396 18.027 7.282 1.00 54.20 ? 424 ASP A OD2 1 ATOM 624 N N . CYS A 1 84 ? 27.234 17.025 6.321 1.00 44.88 ? 425 CYS A N 1 ATOM 625 C CA . CYS A 1 84 ? 26.486 15.985 7.048 1.00 41.68 ? 425 CYS A CA 1 ATOM 626 C C . CYS A 1 84 ? 26.331 16.244 8.548 1.00 40.80 ? 425 CYS A C 1 ATOM 627 O O . CYS A 1 84 ? 25.248 16.137 9.067 1.00 40.52 ? 425 CYS A O 1 ATOM 628 C CB . CYS A 1 84 ? 27.084 14.609 6.812 1.00 40.85 ? 425 CYS A CB 1 ATOM 629 S SG . CYS A 1 84 ? 26.140 13.265 7.573 1.00 36.15 ? 425 CYS A SG 1 ATOM 630 N N . VAL A 1 85 ? 27.405 16.627 9.229 1.00 40.22 ? 426 VAL A N 1 ATOM 631 C CA . VAL A 1 85 ? 27.374 16.832 10.675 1.00 40.29 ? 426 VAL A CA 1 ATOM 632 C C . VAL A 1 85 ? 26.488 17.977 11.165 1.00 40.30 ? 426 VAL A C 1 ATOM 633 O O . VAL A 1 85 ? 26.088 18.009 12.328 1.00 39.43 ? 426 VAL A O 1 ATOM 634 C CB . VAL A 1 85 ? 28.784 17.078 11.217 1.00 40.40 ? 426 VAL A CB 1 ATOM 635 C CG1 . VAL A 1 85 ? 28.721 17.368 12.694 1.00 41.52 ? 426 VAL A CG1 1 ATOM 636 C CG2 . VAL A 1 85 ? 29.692 15.885 10.932 1.00 41.04 ? 426 VAL A CG2 1 ATOM 637 N N . LEU A 1 86 ? 26.211 18.930 10.283 1.00 40.55 ? 427 LEU A N 1 ATOM 638 C CA . LEU A 1 86 ? 25.407 20.087 10.647 1.00 41.24 ? 427 LEU A CA 1 ATOM 639 C C . LEU A 1 86 ? 24.012 19.981 10.059 1.00 41.13 ? 427 LEU A C 1 ATOM 640 O O . LEU A 1 86 ? 23.125 20.751 10.401 1.00 41.59 ? 427 LEU A O 1 ATOM 641 C CB . LEU A 1 86 ? 26.064 21.371 10.145 1.00 41.11 ? 427 LEU A CB 1 ATOM 642 C CG . LEU A 1 86 ? 27.485 21.631 10.640 1.00 43.01 ? 427 LEU A CG 1 ATOM 643 C CD1 . LEU A 1 86 ? 28.109 22.810 9.907 1.00 43.18 ? 427 LEU A CD1 1 ATOM 644 C CD2 . LEU A 1 86 ? 27.488 21.889 12.143 1.00 44.01 ? 427 LEU A CD2 1 ATOM 645 N N . ARG A 1 87 ? 23.835 19.012 9.179 1.00 41.06 ? 428 ARG A N 1 ATOM 646 C CA . ARG A 1 87 ? 22.568 18.766 8.502 1.00 41.22 ? 428 ARG A CA 1 ATOM 647 C C . ARG A 1 87 ? 21.460 18.219 9.407 1.00 40.08 ? 428 ARG A C 1 ATOM 648 O O . ARG A 1 87 ? 21.661 17.330 10.189 1.00 40.73 ? 428 ARG A O 1 ATOM 649 C CB . ARG A 1 87 ? 22.808 17.818 7.339 1.00 41.21 ? 428 ARG A CB 1 ATOM 650 C CG . ARG A 1 87 ? 21.531 17.410 6.594 1.00 45.13 ? 428 ARG A CG 1 ATOM 651 C CD . ARG A 1 87 ? 21.746 16.206 5.675 1.00 47.96 ? 428 ARG A CD 1 ATOM 652 N NE . ARG A 1 87 ? 22.960 16.390 4.895 1.00 49.85 ? 428 ARG A NE 1 ATOM 653 C CZ . ARG A 1 87 ? 23.698 15.398 4.427 1.00 52.75 ? 428 ARG A CZ 1 ATOM 654 N NH1 . ARG A 1 87 ? 23.335 14.136 4.646 1.00 54.24 ? 428 ARG A NH1 1 ATOM 655 N NH2 . ARG A 1 87 ? 24.796 15.664 3.724 1.00 54.29 ? 428 ARG A NH2 1 ATOM 656 N N . PRO A 1 88 ? 20.331 18.892 9.421 1.00 40.17 ? 429 PRO A N 1 ATOM 657 C CA . PRO A 1 88 ? 19.126 18.428 10.118 1.00 39.12 ? 429 PRO A CA 1 ATOM 658 C C . PRO A 1 88 ? 18.777 16.954 9.886 1.00 38.42 ? 429 PRO A C 1 ATOM 659 O O . PRO A 1 88 ? 19.033 16.456 8.801 1.00 37.87 ? 429 PRO A O 1 ATOM 660 C CB . PRO A 1 88 ? 18.057 19.381 9.592 1.00 39.90 ? 429 PRO A CB 1 ATOM 661 C CG . PRO A 1 88 ? 18.821 20.667 9.297 1.00 39.59 ? 429 PRO A CG 1 ATOM 662 C CD . PRO A 1 88 ? 20.232 20.299 8.991 1.00 40.22 ? 429 PRO A CD 1 ATOM 663 N N . THR A 1 89 ? 18.271 16.260 10.914 1.00 37.75 ? 430 THR A N 1 ATOM 664 C CA . THR A 1 89 ? 17.865 14.860 10.753 1.00 38.23 ? 430 THR A CA 1 ATOM 665 C C . THR A 1 89 ? 16.478 14.810 10.146 1.00 37.55 ? 430 THR A C 1 ATOM 666 O O . THR A 1 89 ? 15.658 15.718 10.339 1.00 36.84 ? 430 THR A O 1 ATOM 667 C CB . THR A 1 89 ? 17.880 14.063 12.074 1.00 38.26 ? 430 THR A CB 1 ATOM 668 O OG1 . THR A 1 89 ? 17.035 14.706 13.055 1.00 40.70 ? 430 THR A OG1 1 ATOM 669 C CG2 . THR A 1 89 ? 19.245 14.097 12.676 1.00 37.42 ? 430 THR A CG2 1 ATOM 670 N N . GLU A 1 90 ? 16.205 13.744 9.410 1.00 37.48 ? 431 GLU A N 1 ATOM 671 C CA . GLU A 1 90 ? 14.909 13.665 8.748 1.00 36.98 ? 431 GLU A CA 1 ATOM 672 C C . GLU A 1 90 ? 13.898 12.661 9.311 1.00 35.94 ? 431 GLU A C 1 ATOM 673 O O . GLU A 1 90 ? 12.691 12.835 9.162 1.00 37.50 ? 431 GLU A O 1 ATOM 674 C CB . GLU A 1 90 ? 15.136 13.466 7.267 1.00 37.51 ? 431 GLU A CB 1 ATOM 675 C CG . GLU A 1 90 ? 15.782 14.692 6.630 1.00 40.09 ? 431 GLU A CG 1 ATOM 676 C CD . GLU A 1 90 ? 15.899 14.543 5.130 1.00 44.54 ? 431 GLU A CD 1 ATOM 677 O OE1 . GLU A 1 90 ? 14.845 14.342 4.468 1.00 43.17 ? 431 GLU A OE1 1 ATOM 678 O OE2 . GLU A 1 90 ? 17.049 14.603 4.633 1.00 45.69 ? 431 GLU A OE2 1 ATOM 679 N N . GLY A 1 91 ? 14.356 11.633 9.990 1.00 33.37 ? 432 GLY A N 1 ATOM 680 C CA . GLY A 1 91 ? 13.400 10.665 10.505 1.00 30.19 ? 432 GLY A CA 1 ATOM 681 C C . GLY A 1 91 ? 13.233 9.522 9.518 1.00 28.40 ? 432 GLY A C 1 ATOM 682 O O . GLY A 1 91 ? 13.418 9.682 8.302 1.00 28.45 ? 432 GLY A O 1 ATOM 683 N N . TYR A 1 92 ? 12.926 8.336 10.013 1.00 25.56 ? 433 TYR A N 1 ATOM 684 C CA . TYR A 1 92 ? 12.763 7.251 9.072 1.00 21.88 ? 433 TYR A CA 1 ATOM 685 C C . TYR A 1 92 ? 11.327 6.829 9.019 1.00 21.43 ? 433 TYR A C 1 ATOM 686 O O . TYR A 1 92 ? 10.515 7.179 9.893 1.00 20.17 ? 433 TYR A O 1 ATOM 687 C CB . TYR A 1 92 ? 13.766 6.105 9.328 1.00 21.28 ? 433 TYR A CB 1 ATOM 688 C CG . TYR A 1 92 ? 13.785 5.539 10.728 1.00 18.56 ? 433 TYR A CG 1 ATOM 689 C CD1 . TYR A 1 92 ? 12.971 4.472 11.064 1.00 19.31 ? 433 TYR A CD1 1 ATOM 690 C CD2 . TYR A 1 92 ? 14.625 6.066 11.699 1.00 15.68 ? 433 TYR A CD2 1 ATOM 691 C CE1 . TYR A 1 92 ? 12.988 3.916 12.318 1.00 18.24 ? 433 TYR A CE1 1 ATOM 692 C CE2 . TYR A 1 92 ? 14.655 5.546 12.981 1.00 16.73 ? 433 TYR A CE2 1 ATOM 693 C CZ . TYR A 1 92 ? 13.833 4.453 13.293 1.00 18.95 ? 433 TYR A CZ 1 ATOM 694 O OH . TYR A 1 92 ? 13.830 3.915 14.587 1.00 16.78 ? 433 TYR A OH 1 ATOM 695 N N . LEU A 1 93 ? 10.986 6.094 7.974 1.00 21.08 ? 434 LEU A N 1 ATOM 696 C CA . LEU A 1 93 ? 9.607 5.663 7.786 1.00 20.59 ? 434 LEU A CA 1 ATOM 697 C C . LEU A 1 93 ? 9.340 4.284 8.403 1.00 20.31 ? 434 LEU A C 1 ATOM 698 O O . LEU A 1 93 ? 9.967 3.307 8.046 1.00 20.62 ? 434 LEU A O 1 ATOM 699 C CB . LEU A 1 93 ? 9.289 5.636 6.296 1.00 20.18 ? 434 LEU A CB 1 ATOM 700 C CG . LEU A 1 93 ? 9.424 7.007 5.645 1.00 21.79 ? 434 LEU A CG 1 ATOM 701 C CD1 . LEU A 1 93 ? 8.939 6.922 4.264 1.00 22.44 ? 434 LEU A CD1 1 ATOM 702 C CD2 . LEU A 1 93 ? 8.628 8.017 6.394 1.00 21.22 ? 434 LEU A CD2 1 ATOM 703 N N . ALA A 1 94 ? 8.412 4.185 9.336 1.00 19.43 ? 435 ALA A N 1 ATOM 704 C CA . ALA A 1 94 ? 8.089 2.863 9.878 1.00 18.23 ? 435 ALA A CA 1 ATOM 705 C C . ALA A 1 94 ? 7.014 2.235 8.963 1.00 17.39 ? 435 ALA A C 1 ATOM 706 O O . ALA A 1 94 ? 6.029 2.899 8.613 1.00 16.67 ? 435 ALA A O 1 ATOM 707 C CB . ALA A 1 94 ? 7.583 3.001 11.312 1.00 19.47 ? 435 ALA A CB 1 ATOM 708 N N . VAL A 1 95 ? 7.223 0.997 8.511 1.00 16.36 ? 436 VAL A N 1 ATOM 709 C CA . VAL A 1 95 ? 6.280 0.350 7.625 1.00 15.66 ? 436 VAL A CA 1 ATOM 710 C C . VAL A 1 95 ? 5.884 -1.027 8.128 1.00 17.09 ? 436 VAL A C 1 ATOM 711 O O . VAL A 1 95 ? 6.503 -1.564 9.056 1.00 17.45 ? 436 VAL A O 1 ATOM 712 C CB . VAL A 1 95 ? 6.856 0.149 6.190 1.00 16.49 ? 436 VAL A CB 1 ATOM 713 C CG1 . VAL A 1 95 ? 6.964 1.521 5.407 1.00 17.35 ? 436 VAL A CG1 1 ATOM 714 C CG2 . VAL A 1 95 ? 8.198 -0.625 6.205 1.00 14.14 ? 436 VAL A CG2 1 ATOM 715 N N . ALA A 1 96 ? 4.869 -1.615 7.479 1.00 17.05 ? 437 ALA A N 1 ATOM 716 C CA . ALA A 1 96 ? 4.487 -2.991 7.717 1.00 17.04 ? 437 ALA A CA 1 ATOM 717 C C . ALA A 1 96 ? 4.660 -3.601 6.334 1.00 17.76 ? 437 ALA A C 1 ATOM 718 O O . ALA A 1 96 ? 4.154 -3.043 5.353 1.00 16.16 ? 437 ALA A O 1 ATOM 719 C CB . ALA A 1 96 ? 3.044 -3.062 8.148 1.00 16.92 ? 437 ALA A CB 1 ATOM 720 N N . VAL A 1 97 ? 5.398 -4.709 6.244 1.00 17.60 ? 438 VAL A N 1 ATOM 721 C CA . VAL A 1 97 ? 5.722 -5.300 4.947 1.00 19.35 ? 438 VAL A CA 1 ATOM 722 C C . VAL A 1 97 ? 5.179 -6.732 4.888 1.00 19.83 ? 438 VAL A C 1 ATOM 723 O O . VAL A 1 97 ? 5.188 -7.440 5.901 1.00 21.17 ? 438 VAL A O 1 ATOM 724 C CB . VAL A 1 97 ? 7.265 -5.330 4.743 1.00 19.04 ? 438 VAL A CB 1 ATOM 725 C CG1 . VAL A 1 97 ? 7.660 -5.722 3.281 1.00 16.08 ? 438 VAL A CG1 1 ATOM 726 C CG2 . VAL A 1 97 ? 7.864 -3.967 5.153 1.00 21.06 ? 438 VAL A CG2 1 ATOM 727 N N . VAL A 1 98 ? 4.720 -7.151 3.705 1.00 21.17 ? 439 VAL A N 1 ATOM 728 C CA . VAL A 1 98 ? 4.216 -8.527 3.492 1.00 19.81 ? 439 VAL A CA 1 ATOM 729 C C . VAL A 1 98 ? 4.672 -9.074 2.128 1.00 21.38 ? 439 VAL A C 1 ATOM 730 O O . VAL A 1 98 ? 5.158 -8.336 1.274 1.00 20.62 ? 439 VAL A O 1 ATOM 731 C CB . VAL A 1 98 ? 2.672 -8.589 3.486 1.00 20.18 ? 439 VAL A CB 1 ATOM 732 C CG1 . VAL A 1 98 ? 2.072 -8.248 4.818 1.00 15.94 ? 439 VAL A CG1 1 ATOM 733 C CG2 . VAL A 1 98 ? 2.112 -7.687 2.394 1.00 19.21 ? 439 VAL A CG2 1 ATOM 734 N N . LYS A 1 99 ? 4.521 -10.382 1.918 1.00 21.96 ? 440 LYS A N 1 ATOM 735 C CA . LYS A 1 99 ? 4.817 -10.950 0.610 1.00 23.81 ? 440 LYS A CA 1 ATOM 736 C C . LYS A 1 99 ? 3.650 -10.621 -0.292 1.00 23.60 ? 440 LYS A C 1 ATOM 737 O O . LYS A 1 99 ? 2.507 -10.715 0.134 1.00 23.19 ? 440 LYS A O 1 ATOM 738 C CB . LYS A 1 99 ? 4.938 -12.494 0.706 1.00 23.82 ? 440 LYS A CB 1 ATOM 739 C CG . LYS A 1 99 ? 6.333 -13.092 0.434 1.00 27.73 ? 440 LYS A CG 1 ATOM 740 C CD . LYS A 1 99 ? 7.359 -12.848 1.526 1.00 25.85 ? 440 LYS A CD 1 ATOM 741 C CE . LYS A 1 99 ? 8.652 -13.624 1.213 1.00 25.58 ? 440 LYS A CE 1 ATOM 742 N NZ . LYS A 1 99 ? 8.538 -15.179 1.197 1.00 25.46 ? 440 LYS A NZ 1 ATOM 743 N N . LYS A 1 100 ? 3.915 -10.207 -1.520 1.00 24.21 ? 441 LYS A N 1 ATOM 744 C CA . LYS A 1 100 ? 2.838 -9.935 -2.476 1.00 25.97 ? 441 LYS A CA 1 ATOM 745 C C . LYS A 1 100 ? 1.990 -11.178 -2.763 1.00 26.25 ? 441 LYS A C 1 ATOM 746 O O . LYS A 1 100 ? 0.773 -11.062 -3.011 1.00 25.47 ? 441 LYS A O 1 ATOM 747 C CB . LYS A 1 100 ? 3.432 -9.396 -3.799 1.00 26.73 ? 441 LYS A CB 1 ATOM 748 C CG . LYS A 1 100 ? 2.707 -9.775 -5.078 1.00 30.56 ? 441 LYS A CG 1 ATOM 749 C CD . LYS A 1 100 ? 3.514 -9.321 -6.283 1.00 35.73 ? 441 LYS A CD 1 ATOM 750 C CE . LYS A 1 100 ? 2.775 -9.479 -7.597 1.00 40.38 ? 441 LYS A CE 1 ATOM 751 N NZ . LYS A 1 100 ? 3.419 -8.690 -8.705 1.00 42.25 ? 441 LYS A NZ 1 ATOM 752 N N . ALA A 1 101 ? 2.613 -12.360 -2.691 1.00 27.02 ? 442 ALA A N 1 ATOM 753 C CA . ALA A 1 101 ? 1.916 -13.609 -3.000 1.00 27.98 ? 442 ALA A CA 1 ATOM 754 C C . ALA A 1 101 ? 0.927 -13.917 -1.931 1.00 29.43 ? 442 ALA A C 1 ATOM 755 O O . ALA A 1 101 ? 0.162 -14.856 -2.077 1.00 30.28 ? 442 ALA A O 1 ATOM 756 C CB . ALA A 1 101 ? 2.874 -14.767 -3.121 1.00 28.17 ? 442 ALA A CB 1 ATOM 757 N N . ASN A 1 102 ? 0.975 -13.146 -0.846 1.00 30.17 ? 443 ASN A N 1 ATOM 758 C CA . ASN A 1 102 ? 0.058 -13.265 0.268 1.00 31.66 ? 443 ASN A CA 1 ATOM 759 C C . ASN A 1 102 ? -1.119 -12.336 0.015 1.00 32.51 ? 443 ASN A C 1 ATOM 760 O O . ASN A 1 102 ? -1.359 -11.370 0.773 1.00 31.72 ? 443 ASN A O 1 ATOM 761 C CB . ASN A 1 102 ? 0.744 -12.812 1.548 1.00 32.06 ? 443 ASN A CB 1 ATOM 762 C CG . ASN A 1 102 ? 0.226 -13.546 2.760 1.00 34.17 ? 443 ASN A CG 1 ATOM 763 O OD1 . ASN A 1 102 ? -0.970 -13.874 2.843 1.00 33.17 ? 443 ASN A OD1 1 ATOM 764 N ND2 . ASN A 1 102 ? 1.132 -13.842 3.705 1.00 35.52 ? 443 ASN A ND2 1 ATOM 765 N N . GLU A 1 103 ? -1.854 -12.622 -1.052 1.00 32.88 ? 444 GLU A N 1 ATOM 766 C CA . GLU A 1 103 ? -2.915 -11.717 -1.488 1.00 33.88 ? 444 GLU A CA 1 ATOM 767 C C . GLU A 1 103 ? -3.961 -11.648 -0.432 1.00 34.19 ? 444 GLU A C 1 ATOM 768 O O . GLU A 1 103 ? -4.049 -12.532 0.396 1.00 35.23 ? 444 GLU A O 1 ATOM 769 C CB . GLU A 1 103 ? -3.527 -12.198 -2.802 1.00 33.51 ? 444 GLU A CB 1 ATOM 770 C CG . GLU A 1 103 ? -2.511 -12.338 -3.900 1.00 34.05 ? 444 GLU A CG 1 ATOM 771 C CD . GLU A 1 103 ? -2.982 -13.234 -5.018 1.00 34.53 ? 444 GLU A CD 1 ATOM 772 O OE1 . GLU A 1 103 ? -2.118 -13.788 -5.745 1.00 34.50 ? 444 GLU A OE1 1 ATOM 773 O OE2 . GLU A 1 103 ? -4.207 -13.419 -5.148 1.00 35.99 ? 444 GLU A OE2 1 ATOM 774 N N . GLY A 1 104 ? -4.744 -10.584 -0.434 1.00 34.92 ? 445 GLY A N 1 ATOM 775 C CA . GLY A 1 104 ? -5.852 -10.498 0.501 1.00 35.73 ? 445 GLY A CA 1 ATOM 776 C C . GLY A 1 104 ? -5.494 -10.080 1.912 1.00 35.42 ? 445 GLY A C 1 ATOM 777 O O . GLY A 1 104 ? -6.384 -9.856 2.727 1.00 36.42 ? 445 GLY A O 1 ATOM 778 N N . LEU A 1 105 ? -4.203 -10.055 2.230 1.00 33.35 ? 446 LEU A N 1 ATOM 779 C CA . LEU A 1 105 ? -3.775 -9.565 3.540 1.00 32.06 ? 446 LEU A CA 1 ATOM 780 C C . LEU A 1 105 ? -3.652 -8.044 3.550 1.00 31.34 ? 446 LEU A C 1 ATOM 781 O O . LEU A 1 105 ? -2.906 -7.484 2.772 1.00 31.56 ? 446 LEU A O 1 ATOM 782 C CB . LEU A 1 105 ? -2.448 -10.168 3.953 1.00 31.85 ? 446 LEU A CB 1 ATOM 783 C CG . LEU A 1 105 ? -1.924 -9.713 5.313 1.00 31.36 ? 446 LEU A CG 1 ATOM 784 C CD1 . LEU A 1 105 ? -3.010 -9.837 6.360 1.00 33.39 ? 446 LEU A CD1 1 ATOM 785 C CD2 . LEU A 1 105 ? -0.741 -10.570 5.696 1.00 32.19 ? 446 LEU A CD2 1 ATOM 786 N N . THR A 1 106 ? -4.399 -7.385 4.433 1.00 30.96 ? 447 THR A N 1 ATOM 787 C CA . THR A 1 106 ? -4.344 -5.927 4.559 1.00 30.19 ? 447 THR A CA 1 ATOM 788 C C . THR A 1 106 ? -4.281 -5.585 6.019 1.00 29.53 ? 447 THR A C 1 ATOM 789 O O . THR A 1 106 ? -4.433 -6.462 6.846 1.00 28.48 ? 447 THR A O 1 ATOM 790 C CB . THR A 1 106 ? -5.597 -5.229 3.966 1.00 29.72 ? 447 THR A CB 1 ATOM 791 O OG1 . THR A 1 106 ? -6.732 -5.456 4.822 1.00 29.61 ? 447 THR A OG1 1 ATOM 792 C CG2 . THR A 1 106 ? -6.010 -5.853 2.646 1.00 29.82 ? 447 THR A CG2 1 ATOM 793 N N . TRP A 1 107 ? -4.059 -4.303 6.327 1.00 30.11 ? 448 TRP A N 1 ATOM 794 C CA . TRP A 1 107 ? -3.995 -3.832 7.711 1.00 30.09 ? 448 TRP A CA 1 ATOM 795 C C . TRP A 1 107 ? -5.241 -4.303 8.456 1.00 31.43 ? 448 TRP A C 1 ATOM 796 O O . TRP A 1 107 ? -5.161 -4.696 9.621 1.00 31.89 ? 448 TRP A O 1 ATOM 797 C CB . TRP A 1 107 ? -3.911 -2.301 7.782 1.00 30.05 ? 448 TRP A CB 1 ATOM 798 C CG . TRP A 1 107 ? -3.834 -1.782 9.185 1.00 30.18 ? 448 TRP A CG 1 ATOM 799 C CD1 . TRP A 1 107 ? -4.860 -1.218 9.928 1.00 31.75 ? 448 TRP A CD1 1 ATOM 800 C CD2 . TRP A 1 107 ? -2.696 -1.809 10.055 1.00 29.74 ? 448 TRP A CD2 1 ATOM 801 N NE1 . TRP A 1 107 ? -4.419 -0.892 11.193 1.00 30.65 ? 448 TRP A NE1 1 ATOM 802 C CE2 . TRP A 1 107 ? -3.086 -1.224 11.291 1.00 31.58 ? 448 TRP A CE2 1 ATOM 803 C CE3 . TRP A 1 107 ? -1.380 -2.240 9.917 1.00 29.30 ? 448 TRP A CE3 1 ATOM 804 C CZ2 . TRP A 1 107 ? -2.205 -1.087 12.369 1.00 30.76 ? 448 TRP A CZ2 1 ATOM 805 C CZ3 . TRP A 1 107 ? -0.515 -2.112 11.002 1.00 28.66 ? 448 TRP A CZ3 1 ATOM 806 C CH2 . TRP A 1 107 ? -0.928 -1.520 12.195 1.00 28.10 ? 448 TRP A CH2 1 ATOM 807 N N . ASN A 1 108 ? -6.385 -4.277 7.779 1.00 31.98 ? 449 ASN A N 1 ATOM 808 C CA . ASN A 1 108 ? -7.657 -4.665 8.388 1.00 33.09 ? 449 ASN A CA 1 ATOM 809 C C . ASN A 1 108 ? -7.866 -6.160 8.576 1.00 32.85 ? 449 ASN A C 1 ATOM 810 O O . ASN A 1 108 ? -8.896 -6.561 9.087 1.00 33.89 ? 449 ASN A O 1 ATOM 811 C CB . ASN A 1 108 ? -8.852 -4.082 7.605 1.00 33.89 ? 449 ASN A CB 1 ATOM 812 C CG . ASN A 1 108 ? -8.833 -2.563 7.544 1.00 34.64 ? 449 ASN A CG 1 ATOM 813 O OD1 . ASN A 1 108 ? -8.599 -1.891 8.542 1.00 35.07 ? 449 ASN A OD1 1 ATOM 814 N ND2 . ASN A 1 108 ? -9.092 -2.016 6.365 1.00 40.58 ? 449 ASN A ND2 1 ATOM 815 N N . SER A 1 109 ? -6.923 -6.995 8.169 1.00 32.11 ? 450 SER A N 1 ATOM 816 C CA . SER A 1 109 ? -7.087 -8.435 8.391 1.00 31.74 ? 450 SER A CA 1 ATOM 817 C C . SER A 1 109 ? -5.854 -9.062 9.042 1.00 31.03 ? 450 SER A C 1 ATOM 818 O O . SER A 1 109 ? -5.551 -10.234 8.817 1.00 29.85 ? 450 SER A O 1 ATOM 819 C CB . SER A 1 109 ? -7.447 -9.167 7.082 1.00 31.87 ? 450 SER A CB 1 ATOM 820 O OG . SER A 1 109 ? -6.463 -8.966 6.080 1.00 32.84 ? 450 SER A OG 1 ATOM 821 N N . LEU A 1 110 ? -5.145 -8.265 9.843 1.00 30.03 ? 451 LEU A N 1 ATOM 822 C CA . LEU A 1 110 ? -3.922 -8.716 10.517 1.00 29.43 ? 451 LEU A CA 1 ATOM 823 C C . LEU A 1 110 ? -4.199 -9.611 11.706 1.00 29.07 ? 451 LEU A C 1 ATOM 824 O O . LEU A 1 110 ? -3.346 -10.409 12.103 1.00 28.40 ? 451 LEU A O 1 ATOM 825 C CB . LEU A 1 110 ? -3.098 -7.516 11.008 1.00 29.28 ? 451 LEU A CB 1 ATOM 826 C CG . LEU A 1 110 ? -2.264 -6.816 9.925 1.00 30.32 ? 451 LEU A CG 1 ATOM 827 C CD1 . LEU A 1 110 ? -1.554 -5.563 10.414 1.00 29.28 ? 451 LEU A CD1 1 ATOM 828 C CD2 . LEU A 1 110 ? -1.312 -7.785 9.309 1.00 31.76 ? 451 LEU A CD2 1 ATOM 829 N N . LYS A 1 111 ? -5.366 -9.438 12.322 1.00 29.37 ? 452 LYS A N 1 ATOM 830 C CA . LYS A 1 111 ? -5.684 -10.223 13.502 1.00 30.57 ? 452 LYS A CA 1 ATOM 831 C C . LYS A 1 111 ? -5.489 -11.711 13.246 1.00 29.65 ? 452 LYS A C 1 ATOM 832 O O . LYS A 1 111 ? -5.907 -12.228 12.211 1.00 29.28 ? 452 LYS A O 1 ATOM 833 C CB . LYS A 1 111 ? -7.111 -9.947 14.011 1.00 32.15 ? 452 LYS A CB 1 ATOM 834 C CG . LYS A 1 111 ? -7.283 -10.434 15.426 1.00 35.25 ? 452 LYS A CG 1 ATOM 835 C CD . LYS A 1 111 ? -8.722 -10.562 15.871 1.00 41.98 ? 452 LYS A CD 1 ATOM 836 C CE . LYS A 1 111 ? -8.735 -11.039 17.331 1.00 45.99 ? 452 LYS A CE 1 ATOM 837 N NZ . LYS A 1 111 ? -7.452 -11.762 17.699 1.00 46.41 ? 452 LYS A NZ 1 ATOM 838 N N . ASP A 1 112 ? -4.844 -12.375 14.206 1.00 29.49 ? 453 ASP A N 1 ATOM 839 C CA . ASP A 1 112 ? -4.549 -13.805 14.180 1.00 29.07 ? 453 ASP A CA 1 ATOM 840 C C . ASP A 1 112 ? -3.471 -14.268 13.194 1.00 27.55 ? 453 ASP A C 1 ATOM 841 O O . ASP A 1 112 ? -3.245 -15.485 13.060 1.00 28.32 ? 453 ASP A O 1 ATOM 842 C CB . ASP A 1 112 ? -5.815 -14.617 13.952 1.00 30.53 ? 453 ASP A CB 1 ATOM 843 C CG . ASP A 1 112 ? -6.779 -14.533 15.125 1.00 34.92 ? 453 ASP A CG 1 ATOM 844 O OD1 . ASP A 1 112 ? -7.800 -15.254 15.092 1.00 38.98 ? 453 ASP A OD1 1 ATOM 845 O OD2 . ASP A 1 112 ? -6.614 -13.766 16.109 1.00 39.58 ? 453 ASP A OD2 1 ATOM 846 N N . LYS A 1 113 ? -2.822 -13.341 12.503 1.00 25.01 ? 454 LYS A N 1 ATOM 847 C CA . LYS A 1 113 ? -1.702 -13.720 11.638 1.00 23.74 ? 454 LYS A CA 1 ATOM 848 C C . LYS A 1 113 ? -0.432 -13.823 12.486 1.00 21.79 ? 454 LYS A C 1 ATOM 849 O O . LYS A 1 113 ? -0.489 -13.686 13.717 1.00 21.01 ? 454 LYS A O 1 ATOM 850 C CB . LYS A 1 113 ? -1.516 -12.734 10.478 1.00 23.54 ? 454 LYS A CB 1 ATOM 851 C CG . LYS A 1 113 ? -2.816 -12.582 9.618 1.00 27.85 ? 454 LYS A CG 1 ATOM 852 C CD . LYS A 1 113 ? -3.314 -13.932 9.096 1.00 30.75 ? 454 LYS A CD 1 ATOM 853 C CE . LYS A 1 113 ? -4.626 -13.816 8.302 1.00 33.43 ? 454 LYS A CE 1 ATOM 854 N NZ . LYS A 1 113 ? -5.758 -13.384 9.146 1.00 37.06 ? 454 LYS A NZ 1 ATOM 855 N N . LYS A 1 114 ? 0.677 -14.089 11.805 1.00 20.83 ? 455 LYS A N 1 ATOM 856 C CA . LYS A 1 114 ? 2.011 -14.191 12.372 1.00 20.75 ? 455 LYS A CA 1 ATOM 857 C C . LYS A 1 114 ? 2.852 -12.936 12.124 1.00 19.83 ? 455 LYS A C 1 ATOM 858 O O . LYS A 1 114 ? 2.976 -12.501 10.986 1.00 19.42 ? 455 LYS A O 1 ATOM 859 C CB . LYS A 1 114 ? 2.690 -15.442 11.835 1.00 20.63 ? 455 LYS A CB 1 ATOM 860 C CG . LYS A 1 114 ? 1.910 -16.688 12.276 1.00 24.29 ? 455 LYS A CG 1 ATOM 861 C CD . LYS A 1 114 ? 2.625 -17.936 11.881 1.00 28.75 ? 455 LYS A CD 1 ATOM 862 C CE . LYS A 1 114 ? 2.659 -18.053 10.394 1.00 32.09 ? 455 LYS A CE 1 ATOM 863 N NZ . LYS A 1 114 ? 3.335 -19.277 9.938 1.00 33.51 ? 455 LYS A NZ 1 ATOM 864 N N . SER A 1 115 ? 3.421 -12.370 13.203 1.00 18.82 ? 456 SER A N 1 ATOM 865 C CA . SER A 1 115 ? 4.173 -11.113 13.134 1.00 17.06 ? 456 SER A CA 1 ATOM 866 C C . SER A 1 115 ? 5.670 -11.262 13.450 1.00 17.29 ? 456 SER A C 1 ATOM 867 O O . SER A 1 115 ? 6.076 -12.147 14.222 1.00 17.29 ? 456 SER A O 1 ATOM 868 C CB . SER A 1 115 ? 3.566 -10.038 14.018 1.00 16.02 ? 456 SER A CB 1 ATOM 869 O OG . SER A 1 115 ? 3.406 -10.452 15.376 1.00 16.79 ? 456 SER A OG 1 ATOM 870 N N . CYS A 1 116 ? 6.464 -10.372 12.850 1.00 16.03 ? 457 CYS A N 1 ATOM 871 C CA . CYS A 1 116 ? 7.913 -10.338 13.046 1.00 15.18 ? 457 CYS A CA 1 ATOM 872 C C . CYS A 1 116 ? 8.260 -8.923 13.462 1.00 14.83 ? 457 CYS A C 1 ATOM 873 O O . CYS A 1 116 ? 8.002 -8.002 12.701 1.00 16.27 ? 457 CYS A O 1 ATOM 874 C CB . CYS A 1 116 ? 8.626 -10.624 11.731 1.00 15.16 ? 457 CYS A CB 1 ATOM 875 S SG . CYS A 1 116 ? 8.234 -12.170 10.900 1.00 17.52 ? 457 CYS A SG 1 ATOM 876 N N . HIS A 1 117 ? 8.824 -8.736 14.658 1.00 14.51 ? 458 HIS A N 1 ATOM 877 C CA . HIS A 1 117 ? 9.124 -7.400 15.237 1.00 13.96 ? 458 HIS A CA 1 ATOM 878 C C . HIS A 1 117 ? 10.607 -7.281 15.473 1.00 13.96 ? 458 HIS A C 1 ATOM 879 O O . HIS A 1 117 ? 11.228 -8.276 15.802 1.00 13.75 ? 458 HIS A O 1 ATOM 880 C CB . HIS A 1 117 ? 8.429 -7.300 16.594 1.00 13.37 ? 458 HIS A CB 1 ATOM 881 C CG . HIS A 1 117 ? 6.956 -7.513 16.505 1.00 14.16 ? 458 HIS A CG 1 ATOM 882 N ND1 . HIS A 1 117 ? 6.055 -6.467 16.391 1.00 13.55 ? 458 HIS A ND1 1 ATOM 883 C CD2 . HIS A 1 117 ? 6.232 -8.657 16.398 1.00 14.99 ? 458 HIS A CD2 1 ATOM 884 C CE1 . HIS A 1 117 ? 4.830 -6.975 16.299 1.00 17.63 ? 458 HIS A CE1 1 ATOM 885 N NE2 . HIS A 1 117 ? 4.914 -8.296 16.280 1.00 13.79 ? 458 HIS A NE2 1 ATOM 886 N N . THR A 1 118 ? 11.171 -6.082 15.392 1.00 13.79 ? 459 THR A N 1 ATOM 887 C CA . THR A 1 118 ? 12.592 -5.956 15.640 1.00 14.22 ? 459 THR A CA 1 ATOM 888 C C . THR A 1 118 ? 12.929 -6.293 17.057 1.00 14.14 ? 459 THR A C 1 ATOM 889 O O . THR A 1 118 ? 13.963 -6.940 17.319 1.00 12.14 ? 459 THR A O 1 ATOM 890 C CB . THR A 1 118 ? 13.079 -4.539 15.351 1.00 14.48 ? 459 THR A CB 1 ATOM 891 O OG1 . THR A 1 118 ? 12.262 -3.622 16.100 1.00 14.44 ? 459 THR A OG1 1 ATOM 892 C CG2 . THR A 1 118 ? 12.822 -4.208 13.882 1.00 14.65 ? 459 THR A CG2 1 ATOM 893 N N . ALA A 1 119 ? 12.102 -5.794 17.979 1.00 15.04 ? 460 ALA A N 1 ATOM 894 C CA . ALA A 1 119 ? 12.236 -6.113 19.415 1.00 15.49 ? 460 ALA A CA 1 ATOM 895 C C . ALA A 1 119 ? 11.199 -5.349 20.169 1.00 17.16 ? 460 ALA A C 1 ATOM 896 O O . ALA A 1 119 ? 10.758 -4.282 19.704 1.00 18.55 ? 460 ALA A O 1 ATOM 897 C CB . ALA A 1 119 ? 13.609 -5.759 19.989 1.00 15.06 ? 460 ALA A CB 1 ATOM 898 N N . VAL A 1 120 ? 10.794 -5.878 21.325 1.00 16.53 ? 461 VAL A N 1 ATOM 899 C CA . VAL A 1 120 ? 9.898 -5.133 22.212 1.00 16.64 ? 461 VAL A CA 1 ATOM 900 C C . VAL A 1 120 ? 10.541 -3.803 22.576 1.00 17.41 ? 461 VAL A C 1 ATOM 901 O O . VAL A 1 120 ? 11.773 -3.714 22.730 1.00 16.78 ? 461 VAL A O 1 ATOM 902 C CB . VAL A 1 120 ? 9.632 -5.916 23.522 1.00 16.99 ? 461 VAL A CB 1 ATOM 903 C CG1 . VAL A 1 120 ? 8.768 -5.073 24.513 1.00 19.81 ? 461 VAL A CG1 1 ATOM 904 C CG2 . VAL A 1 120 ? 8.948 -7.213 23.212 1.00 18.08 ? 461 VAL A CG2 1 ATOM 905 N N . ASP A 1 121 ? 9.702 -2.774 22.683 1.00 17.06 ? 462 ASP A N 1 ATOM 906 C CA . ASP A 1 121 ? 10.092 -1.439 23.084 1.00 18.14 ? 462 ASP A CA 1 ATOM 907 C C . ASP A 1 121 ? 10.799 -0.579 22.026 1.00 17.61 ? 462 ASP A C 1 ATOM 908 O O . ASP A 1 121 ? 11.124 0.576 22.330 1.00 17.93 ? 462 ASP A O 1 ATOM 909 C CB . ASP A 1 121 ? 10.987 -1.448 24.316 1.00 18.67 ? 462 ASP A CB 1 ATOM 910 C CG . ASP A 1 121 ? 10.236 -1.725 25.612 1.00 22.52 ? 462 ASP A CG 1 ATOM 911 O OD1 . ASP A 1 121 ? 8.978 -1.664 25.681 1.00 23.73 ? 462 ASP A OD1 1 ATOM 912 O OD2 . ASP A 1 121 ? 10.878 -1.992 26.640 1.00 26.25 ? 462 ASP A OD2 1 ATOM 913 N N . ARG A 1 122 ? 11.025 -1.106 20.825 1.00 15.19 ? 463 ARG A N 1 ATOM 914 C CA . ARG A 1 122 ? 11.676 -0.331 19.748 1.00 14.98 ? 463 ARG A CA 1 ATOM 915 C C . ARG A 1 122 ? 10.638 0.424 18.927 1.00 14.93 ? 463 ARG A C 1 ATOM 916 O O . ARG A 1 122 ? 9.451 0.075 18.945 1.00 17.14 ? 463 ARG A O 1 ATOM 917 C CB . ARG A 1 122 ? 12.536 -1.247 18.865 1.00 14.35 ? 463 ARG A CB 1 ATOM 918 C CG . ARG A 1 122 ? 13.805 -1.649 19.543 1.00 16.49 ? 463 ARG A CG 1 ATOM 919 C CD . ARG A 1 122 ? 14.714 -2.586 18.745 1.00 20.04 ? 463 ARG A CD 1 ATOM 920 N NE . ARG A 1 122 ? 15.145 -1.958 17.503 1.00 22.17 ? 463 ARG A NE 1 ATOM 921 C CZ . ARG A 1 122 ? 16.239 -2.309 16.842 1.00 24.85 ? 463 ARG A CZ 1 ATOM 922 N NH1 . ARG A 1 122 ? 17.003 -3.305 17.274 1.00 22.96 ? 463 ARG A NH1 1 ATOM 923 N NH2 . ARG A 1 122 ? 16.551 -1.681 15.727 1.00 26.43 ? 463 ARG A NH2 1 ATOM 924 N N . THR A 1 123 ? 11.042 1.462 18.205 1.00 14.47 ? 464 THR A N 1 ATOM 925 C CA . THR A 1 123 ? 10.059 2.270 17.454 1.00 13.00 ? 464 THR A CA 1 ATOM 926 C C . THR A 1 123 ? 9.202 1.607 16.335 1.00 13.29 ? 464 THR A C 1 ATOM 927 O O . THR A 1 123 ? 7.974 1.470 16.475 1.00 12.45 ? 464 THR A O 1 ATOM 928 C CB . THR A 1 123 ? 10.736 3.477 16.900 1.00 12.09 ? 464 THR A CB 1 ATOM 929 O OG1 . THR A 1 123 ? 11.274 4.241 17.996 1.00 13.15 ? 464 THR A OG1 1 ATOM 930 C CG2 . THR A 1 123 ? 9.723 4.417 16.246 1.00 12.33 ? 464 THR A CG2 1 ATOM 931 N N . ALA A 1 124 ? 9.821 1.251 15.201 1.00 13.38 ? 465 ALA A N 1 ATOM 932 C CA . ALA A 1 124 ? 9.058 0.655 14.129 1.00 13.21 ? 465 ALA A CA 1 ATOM 933 C C . ALA A 1 124 ? 8.727 -0.803 14.431 1.00 14.26 ? 465 ALA A C 1 ATOM 934 O O . ALA A 1 124 ? 7.749 -1.351 13.901 1.00 15.07 ? 465 ALA A O 1 ATOM 935 C CB . ALA A 1 124 ? 9.858 0.773 12.753 1.00 14.19 ? 465 ALA A CB 1 ATOM 936 N N . GLY A 1 125 ? 9.507 -1.470 15.258 1.00 12.44 ? 466 GLY A N 1 ATOM 937 C CA . GLY A 1 125 ? 9.147 -2.873 15.458 1.00 15.02 ? 466 GLY A CA 1 ATOM 938 C C . GLY A 1 125 ? 8.032 -3.110 16.478 1.00 15.35 ? 466 GLY A C 1 ATOM 939 O O . GLY A 1 125 ? 7.343 -4.132 16.418 1.00 14.11 ? 466 GLY A O 1 ATOM 940 N N . TRP A 1 126 ? 7.820 -2.146 17.390 1.00 16.00 ? 467 TRP A N 1 ATOM 941 C CA . TRP A 1 126 ? 6.858 -2.361 18.493 1.00 16.35 ? 467 TRP A CA 1 ATOM 942 C C . TRP A 1 126 ? 5.952 -1.193 18.859 1.00 16.89 ? 467 TRP A C 1 ATOM 943 O O . TRP A 1 126 ? 4.746 -1.305 18.799 1.00 18.99 ? 467 TRP A O 1 ATOM 944 C CB . TRP A 1 126 ? 7.663 -2.737 19.759 1.00 16.25 ? 467 TRP A CB 1 ATOM 945 C CG . TRP A 1 126 ? 6.820 -3.224 20.871 1.00 15.82 ? 467 TRP A CG 1 ATOM 946 C CD1 . TRP A 1 126 ? 6.449 -2.529 21.979 1.00 16.19 ? 467 TRP A CD1 1 ATOM 947 C CD2 . TRP A 1 126 ? 6.221 -4.520 20.979 1.00 16.88 ? 467 TRP A CD2 1 ATOM 948 N NE1 . TRP A 1 126 ? 5.642 -3.307 22.760 1.00 18.09 ? 467 TRP A NE1 1 ATOM 949 C CE2 . TRP A 1 126 ? 5.472 -4.531 22.165 1.00 18.95 ? 467 TRP A CE2 1 ATOM 950 C CE3 . TRP A 1 126 ? 6.224 -5.673 20.170 1.00 17.50 ? 467 TRP A CE3 1 ATOM 951 C CZ2 . TRP A 1 126 ? 4.758 -5.655 22.594 1.00 21.20 ? 467 TRP A CZ2 1 ATOM 952 C CZ3 . TRP A 1 126 ? 5.498 -6.797 20.585 1.00 21.46 ? 467 TRP A CZ3 1 ATOM 953 C CH2 . TRP A 1 126 ? 4.790 -6.778 21.802 1.00 22.07 ? 467 TRP A CH2 1 ATOM 954 N N . ASN A 1 127 ? 6.544 -0.081 19.285 1.00 17.35 ? 468 ASN A N 1 ATOM 955 C CA . ASN A 1 127 ? 5.785 1.026 19.818 1.00 17.72 ? 468 ASN A CA 1 ATOM 956 C C . ASN A 1 127 ? 4.754 1.592 18.876 1.00 17.64 ? 468 ASN A C 1 ATOM 957 O O . ASN A 1 127 ? 3.632 1.909 19.326 1.00 15.82 ? 468 ASN A O 1 ATOM 958 C CB . ASN A 1 127 ? 6.697 2.174 20.241 1.00 18.59 ? 468 ASN A CB 1 ATOM 959 C CG . ASN A 1 127 ? 7.539 1.838 21.440 1.00 19.36 ? 468 ASN A CG 1 ATOM 960 O OD1 . ASN A 1 127 ? 7.276 0.862 22.143 1.00 24.02 ? 468 ASN A OD1 1 ATOM 961 N ND2 . ASN A 1 127 ? 8.545 2.677 21.715 1.00 21.42 ? 468 ASN A ND2 1 ATOM 962 N N . ILE A 1 128 ? 5.121 1.727 17.603 1.00 17.33 ? 469 ILE A N 1 ATOM 963 C CA . ILE A 1 128 ? 4.225 2.307 16.605 1.00 17.79 ? 469 ILE A CA 1 ATOM 964 C C . ILE A 1 128 ? 3.092 1.325 16.186 1.00 18.77 ? 469 ILE A C 1 ATOM 965 O O . ILE A 1 128 ? 1.924 1.676 16.209 1.00 18.54 ? 469 ILE A O 1 ATOM 966 C CB . ILE A 1 128 ? 5.033 2.800 15.370 1.00 17.96 ? 469 ILE A CB 1 ATOM 967 C CG1 . ILE A 1 128 ? 5.918 4.032 15.678 1.00 18.34 ? 469 ILE A CG1 1 ATOM 968 C CG2 . ILE A 1 128 ? 4.129 3.003 14.171 1.00 19.12 ? 469 ILE A CG2 1 ATOM 969 C CD1 . ILE A 1 128 ? 5.181 5.334 15.884 1.00 21.46 ? 469 ILE A CD1 1 ATOM 970 N N . PRO A 1 129 ? 3.434 0.107 15.772 1.00 19.18 ? 470 PRO A N 1 ATOM 971 C CA . PRO A 1 129 ? 2.403 -0.857 15.374 1.00 19.33 ? 470 PRO A CA 1 ATOM 972 C C . PRO A 1 129 ? 1.469 -1.270 16.522 1.00 20.63 ? 470 PRO A C 1 ATOM 973 O O . PRO A 1 129 ? 0.276 -1.261 16.292 1.00 20.79 ? 470 PRO A O 1 ATOM 974 C CB . PRO A 1 129 ? 3.186 -2.075 14.881 1.00 19.00 ? 470 PRO A CB 1 ATOM 975 C CG . PRO A 1 129 ? 4.654 -1.859 15.168 1.00 18.39 ? 470 PRO A CG 1 ATOM 976 C CD . PRO A 1 129 ? 4.807 -0.423 15.654 1.00 19.41 ? 470 PRO A CD 1 ATOM 977 N N . MET A 1 130 ? 1.996 -1.602 17.698 1.00 21.62 ? 471 MET A N 1 ATOM 978 C CA . MET A 1 130 ? 1.206 -2.034 18.851 1.00 23.70 ? 471 MET A CA 1 ATOM 979 C C . MET A 1 130 ? 0.431 -0.890 19.482 1.00 24.85 ? 471 MET A C 1 ATOM 980 O O . MET A 1 130 ? -0.648 -1.125 20.066 1.00 24.88 ? 471 MET A O 1 ATOM 981 C CB . MET A 1 130 ? 2.081 -2.732 19.914 1.00 23.64 ? 471 MET A CB 1 ATOM 982 C CG . MET A 1 130 ? 2.823 -3.933 19.374 1.00 25.77 ? 471 MET A CG 1 ATOM 983 S SD . MET A 1 130 ? 1.680 -5.253 18.871 1.00 32.96 ? 471 MET A SD 1 ATOM 984 C CE . MET A 1 130 ? 1.728 -5.058 17.293 1.00 28.87 ? 471 MET A CE 1 ATOM 985 N N . GLY A 1 131 ? 1.003 0.320 19.406 1.00 25.09 ? 472 GLY A N 1 ATOM 986 C CA . GLY A 1 131 ? 0.319 1.544 19.792 1.00 25.56 ? 472 GLY A CA 1 ATOM 987 C C . GLY A 1 131 ? -0.938 1.730 18.922 1.00 26.48 ? 472 GLY A C 1 ATOM 988 O O . GLY A 1 131 ? -2.055 1.996 19.427 1.00 25.95 ? 472 GLY A O 1 ATOM 989 N N . LEU A 1 132 ? -0.763 1.569 17.608 1.00 26.48 ? 473 LEU A N 1 ATOM 990 C CA . LEU A 1 132 ? -1.886 1.658 16.681 1.00 27.02 ? 473 LEU A CA 1 ATOM 991 C C . LEU A 1 132 ? -2.942 0.592 16.921 1.00 28.07 ? 473 LEU A C 1 ATOM 992 O O . LEU A 1 132 ? -4.152 0.854 16.773 1.00 27.71 ? 473 LEU A O 1 ATOM 993 C CB . LEU A 1 132 ? -1.420 1.525 15.242 1.00 26.47 ? 473 LEU A CB 1 ATOM 994 C CG . LEU A 1 132 ? -0.622 2.716 14.738 1.00 26.30 ? 473 LEU A CG 1 ATOM 995 C CD1 . LEU A 1 132 ? -0.122 2.436 13.328 1.00 18.96 ? 473 LEU A CD1 1 ATOM 996 C CD2 . LEU A 1 132 ? -1.483 3.993 14.839 1.00 24.84 ? 473 LEU A CD2 1 ATOM 997 N N . ILE A 1 133 ? -2.488 -0.615 17.224 1.00 28.53 ? 474 ILE A N 1 ATOM 998 C CA . ILE A 1 133 ? -3.404 -1.727 17.428 1.00 30.48 ? 474 ILE A CA 1 ATOM 999 C C . ILE A 1 133 ? -4.176 -1.669 18.744 1.00 31.93 ? 474 ILE A C 1 ATOM 1000 O O . ILE A 1 133 ? -5.389 -1.910 18.781 1.00 32.56 ? 474 ILE A O 1 ATOM 1001 C CB . ILE A 1 133 ? -2.669 -3.056 17.347 1.00 30.16 ? 474 ILE A CB 1 ATOM 1002 C CG1 . ILE A 1 133 ? -2.228 -3.336 15.909 1.00 29.50 ? 474 ILE A CG1 1 ATOM 1003 C CG2 . ILE A 1 133 ? -3.538 -4.172 17.868 1.00 27.55 ? 474 ILE A CG2 1 ATOM 1004 C CD1 . ILE A 1 133 ? -1.258 -4.493 15.814 1.00 25.95 ? 474 ILE A CD1 1 ATOM 1005 N N . VAL A 1 134 ? -3.488 -1.380 19.829 1.00 33.52 ? 475 VAL A N 1 ATOM 1006 C CA . VAL A 1 134 ? -4.178 -1.227 21.093 1.00 35.27 ? 475 VAL A CA 1 ATOM 1007 C C . VAL A 1 134 ? -5.285 -0.188 20.907 1.00 35.67 ? 475 VAL A C 1 ATOM 1008 O O . VAL A 1 134 ? -6.415 -0.388 21.335 1.00 35.41 ? 475 VAL A O 1 ATOM 1009 C CB . VAL A 1 134 ? -3.222 -0.776 22.188 1.00 34.88 ? 475 VAL A CB 1 ATOM 1010 C CG1 . VAL A 1 134 ? -3.991 -0.296 23.403 1.00 37.07 ? 475 VAL A CG1 1 ATOM 1011 C CG2 . VAL A 1 134 ? -2.286 -1.907 22.550 1.00 36.14 ? 475 VAL A CG2 1 ATOM 1012 N N . ASN A 1 135 ? -4.957 0.883 20.196 1.00 36.33 ? 476 ASN A N 1 ATOM 1013 C CA . ASN A 1 135 ? -5.897 1.963 20.002 1.00 37.41 ? 476 ASN A CA 1 ATOM 1014 C C . ASN A 1 135 ? -7.106 1.513 19.222 1.00 38.32 ? 476 ASN A C 1 ATOM 1015 O O . ASN A 1 135 ? -8.229 1.575 19.734 1.00 38.56 ? 476 ASN A O 1 ATOM 1016 C CB . ASN A 1 135 ? -5.254 3.135 19.272 1.00 37.03 ? 476 ASN A CB 1 ATOM 1017 C CG . ASN A 1 135 ? -4.570 4.121 20.198 1.00 36.35 ? 476 ASN A CG 1 ATOM 1018 O OD1 . ASN A 1 135 ? -4.217 3.811 21.334 1.00 35.85 ? 476 ASN A OD1 1 ATOM 1019 N ND2 . ASN A 1 135 ? -4.323 5.304 19.676 1.00 37.82 ? 476 ASN A ND2 1 ATOM 1020 N N . GLN A 1 136 ? -6.873 1.066 17.983 1.00 38.95 ? 477 GLN A N 1 ATOM 1021 C CA . GLN A 1 136 ? -7.949 0.623 17.107 1.00 39.63 ? 477 GLN A CA 1 ATOM 1022 C C . GLN A 1 136 ? -8.755 -0.473 17.731 1.00 39.55 ? 477 GLN A C 1 ATOM 1023 O O . GLN A 1 136 ? -9.885 -0.710 17.345 1.00 39.66 ? 477 GLN A O 1 ATOM 1024 C CB . GLN A 1 136 ? -7.402 0.150 15.759 1.00 39.09 ? 477 GLN A CB 1 ATOM 1025 C CG . GLN A 1 136 ? -6.603 1.235 15.077 1.00 40.39 ? 477 GLN A CG 1 ATOM 1026 C CD . GLN A 1 136 ? -6.018 0.802 13.755 1.00 38.20 ? 477 GLN A CD 1 ATOM 1027 O OE1 . GLN A 1 136 ? -5.379 -0.243 13.659 1.00 37.28 ? 477 GLN A OE1 1 ATOM 1028 N NE2 . GLN A 1 136 ? -6.228 1.610 12.736 1.00 40.31 ? 477 GLN A NE2 1 ATOM 1029 N N . THR A 1 137 ? -8.172 -1.125 18.717 1.00 40.33 ? 478 THR A N 1 ATOM 1030 C CA . THR A 1 137 ? -8.781 -2.307 19.313 1.00 41.35 ? 478 THR A CA 1 ATOM 1031 C C . THR A 1 137 ? -9.466 -2.017 20.659 1.00 42.07 ? 478 THR A C 1 ATOM 1032 O O . THR A 1 137 ? -10.341 -2.763 21.098 1.00 42.35 ? 478 THR A O 1 ATOM 1033 C CB . THR A 1 137 ? -7.682 -3.361 19.464 1.00 41.35 ? 478 THR A CB 1 ATOM 1034 O OG1 . THR A 1 137 ? -8.122 -4.592 18.906 1.00 42.18 ? 478 THR A OG1 1 ATOM 1035 C CG2 . THR A 1 137 ? -7.368 -3.646 20.907 1.00 40.58 ? 478 THR A CG2 1 ATOM 1036 N N . GLY A 1 138 ? -9.073 -0.917 21.288 1.00 42.43 ? 479 GLY A N 1 ATOM 1037 C CA . GLY A 1 138 ? -9.605 -0.529 22.569 1.00 43.77 ? 479 GLY A CA 1 ATOM 1038 C C . GLY A 1 138 ? -9.264 -1.533 23.645 1.00 44.77 ? 479 GLY A C 1 ATOM 1039 O O . GLY A 1 138 ? -9.890 -1.555 24.700 1.00 45.18 ? 479 GLY A O 1 ATOM 1040 N N . SER A 1 139 ? -8.280 -2.379 23.378 1.00 45.48 ? 480 SER A N 1 ATOM 1041 C CA . SER A 1 139 ? -7.881 -3.386 24.345 1.00 46.41 ? 480 SER A CA 1 ATOM 1042 C C . SER A 1 139 ? -6.370 -3.364 24.563 1.00 46.82 ? 480 SER A C 1 ATOM 1043 O O . SER A 1 139 ? -5.615 -3.000 23.657 1.00 47.11 ? 480 SER A O 1 ATOM 1044 C CB . SER A 1 139 ? -8.319 -4.773 23.880 1.00 46.07 ? 480 SER A CB 1 ATOM 1045 O OG . SER A 1 139 ? -7.726 -5.779 24.686 1.00 46.64 ? 480 SER A OG 1 ATOM 1046 N N . CYS A 1 140 ? -5.940 -3.773 25.758 1.00 46.86 ? 481 CYS A N 1 ATOM 1047 C CA . CYS A 1 140 ? -4.524 -3.799 26.132 1.00 46.74 ? 481 CYS A CA 1 ATOM 1048 C C . CYS A 1 140 ? -3.952 -5.192 25.911 1.00 46.54 ? 481 CYS A C 1 ATOM 1049 O O . CYS A 1 140 ? -2.806 -5.482 26.269 1.00 46.18 ? 481 CYS A O 1 ATOM 1050 C CB . CYS A 1 140 ? -4.350 -3.418 27.609 1.00 46.96 ? 481 CYS A CB 1 ATOM 1051 S SG . CYS A 1 140 ? -4.208 -1.649 27.976 1.00 48.55 ? 481 CYS A SG 1 ATOM 1052 N N . ALA A 1 141 ? -4.757 -6.063 25.323 1.00 46.13 ? 482 ALA A N 1 ATOM 1053 C CA . ALA A 1 141 ? -4.312 -7.424 25.076 1.00 46.28 ? 482 ALA A CA 1 ATOM 1054 C C . ALA A 1 141 ? -3.531 -7.588 23.749 1.00 46.17 ? 482 ALA A C 1 ATOM 1055 O O . ALA A 1 141 ? -3.816 -8.480 22.945 1.00 46.69 ? 482 ALA A O 1 ATOM 1056 C CB . ALA A 1 141 ? -5.509 -8.371 25.137 1.00 46.70 ? 482 ALA A CB 1 ATOM 1057 N N . PHE A 1 142 ? -2.544 -6.731 23.518 1.00 45.34 ? 483 PHE A N 1 ATOM 1058 C CA . PHE A 1 142 ? -1.730 -6.825 22.311 1.00 44.37 ? 483 PHE A CA 1 ATOM 1059 C C . PHE A 1 142 ? -0.997 -8.175 22.221 1.00 44.04 ? 483 PHE A C 1 ATOM 1060 O O . PHE A 1 142 ? -0.498 -8.557 21.163 1.00 43.47 ? 483 PHE A O 1 ATOM 1061 C CB . PHE A 1 142 ? -0.715 -5.695 22.289 1.00 43.96 ? 483 PHE A CB 1 ATOM 1062 C CG . PHE A 1 142 ? 0.190 -5.697 23.472 1.00 43.38 ? 483 PHE A CG 1 ATOM 1063 C CD1 . PHE A 1 142 ? 0.083 -4.709 24.440 1.00 44.34 ? 483 PHE A CD1 1 ATOM 1064 C CD2 . PHE A 1 142 ? 1.123 -6.699 23.643 1.00 41.68 ? 483 PHE A CD2 1 ATOM 1065 C CE1 . PHE A 1 142 ? 0.906 -4.710 25.549 1.00 42.83 ? 483 PHE A CE1 1 ATOM 1066 C CE2 . PHE A 1 142 ? 1.937 -6.718 24.745 1.00 42.78 ? 483 PHE A CE2 1 ATOM 1067 C CZ . PHE A 1 142 ? 1.831 -5.716 25.709 1.00 42.72 ? 483 PHE A CZ 1 ATOM 1068 N N . ASP A 1 143 ? -0.933 -8.898 23.329 1.00 43.36 ? 484 ASP A N 1 ATOM 1069 C CA . ASP A 1 143 ? -0.305 -10.204 23.307 1.00 43.22 ? 484 ASP A CA 1 ATOM 1070 C C . ASP A 1 143 ? -1.245 -11.289 22.801 1.00 42.83 ? 484 ASP A C 1 ATOM 1071 O O . ASP A 1 143 ? -0.842 -12.437 22.661 1.00 44.13 ? 484 ASP A O 1 ATOM 1072 C CB . ASP A 1 143 ? 0.177 -10.580 24.700 1.00 44.19 ? 484 ASP A CB 1 ATOM 1073 C CG . ASP A 1 143 ? -0.940 -10.591 25.714 1.00 45.12 ? 484 ASP A CG 1 ATOM 1074 O OD1 . ASP A 1 143 ? -1.749 -9.632 25.730 1.00 47.30 ? 484 ASP A OD1 1 ATOM 1075 O OD2 . ASP A 1 143 ? -1.103 -11.527 26.529 1.00 49.20 ? 484 ASP A OD2 1 ATOM 1076 N N . GLU A 1 144 ? -2.499 -10.956 22.539 1.00 41.14 ? 485 GLU A N 1 ATOM 1077 C CA . GLU A 1 144 ? -3.437 -11.962 22.031 1.00 39.96 ? 485 GLU A CA 1 ATOM 1078 C C . GLU A 1 144 ? -3.897 -11.654 20.599 1.00 37.43 ? 485 GLU A C 1 ATOM 1079 O O . GLU A 1 144 ? -4.697 -12.390 20.026 1.00 36.96 ? 485 GLU A O 1 ATOM 1080 C CB . GLU A 1 144 ? -4.674 -12.061 22.928 1.00 40.74 ? 485 GLU A CB 1 ATOM 1081 C CG . GLU A 1 144 ? -4.385 -12.449 24.369 1.00 44.97 ? 485 GLU A CG 1 ATOM 1082 C CD . GLU A 1 144 ? -5.642 -12.524 25.239 1.00 49.00 ? 485 GLU A CD 1 ATOM 1083 O OE1 . GLU A 1 144 ? -5.512 -12.924 26.415 1.00 50.92 ? 485 GLU A OE1 1 ATOM 1084 O OE2 . GLU A 1 144 ? -6.754 -12.182 24.760 1.00 50.93 ? 485 GLU A OE2 1 ATOM 1085 N N . PHE A 1 145 ? -3.372 -10.573 20.035 1.00 33.90 ? 486 PHE A N 1 ATOM 1086 C CA . PHE A 1 145 ? -3.717 -10.133 18.695 1.00 31.27 ? 486 PHE A CA 1 ATOM 1087 C C . PHE A 1 145 ? -3.166 -11.036 17.569 1.00 30.34 ? 486 PHE A C 1 ATOM 1088 O O . PHE A 1 145 ? -3.906 -11.529 16.704 1.00 29.26 ? 486 PHE A O 1 ATOM 1089 C CB . PHE A 1 145 ? -3.188 -8.713 18.500 1.00 30.66 ? 486 PHE A CB 1 ATOM 1090 C CG . PHE A 1 145 ? -3.775 -8.028 17.338 1.00 29.69 ? 486 PHE A CG 1 ATOM 1091 C CD1 . PHE A 1 145 ? -5.112 -7.641 17.358 1.00 28.55 ? 486 PHE A CD1 1 ATOM 1092 C CD2 . PHE A 1 145 ? -3.028 -7.818 16.185 1.00 27.54 ? 486 PHE A CD2 1 ATOM 1093 C CE1 . PHE A 1 145 ? -5.667 -7.036 16.275 1.00 26.14 ? 486 PHE A CE1 1 ATOM 1094 C CE2 . PHE A 1 145 ? -3.587 -7.207 15.114 1.00 25.65 ? 486 PHE A CE2 1 ATOM 1095 C CZ . PHE A 1 145 ? -4.893 -6.798 15.156 1.00 26.63 ? 486 PHE A CZ 1 ATOM 1096 N N . PHE A 1 146 ? -1.850 -11.213 17.552 1.00 28.44 ? 487 PHE A N 1 ATOM 1097 C CA . PHE A 1 146 ? -1.254 -12.093 16.589 1.00 27.27 ? 487 PHE A CA 1 ATOM 1098 C C . PHE A 1 146 ? -1.341 -13.506 17.162 1.00 27.10 ? 487 PHE A C 1 ATOM 1099 O O . PHE A 1 146 ? -1.435 -13.662 18.373 1.00 27.56 ? 487 PHE A O 1 ATOM 1100 C CB . PHE A 1 146 ? 0.178 -11.643 16.303 1.00 26.24 ? 487 PHE A CB 1 ATOM 1101 C CG . PHE A 1 146 ? 0.248 -10.276 15.637 1.00 24.27 ? 487 PHE A CG 1 ATOM 1102 C CD1 . PHE A 1 146 ? -0.299 -10.064 14.378 1.00 20.81 ? 487 PHE A CD1 1 ATOM 1103 C CD2 . PHE A 1 146 ? 0.816 -9.206 16.297 1.00 23.91 ? 487 PHE A CD2 1 ATOM 1104 C CE1 . PHE A 1 146 ? -0.226 -8.832 13.765 1.00 24.21 ? 487 PHE A CE1 1 ATOM 1105 C CE2 . PHE A 1 146 ? 0.880 -7.982 15.714 1.00 24.68 ? 487 PHE A CE2 1 ATOM 1106 C CZ . PHE A 1 146 ? 0.359 -7.783 14.423 1.00 22.56 ? 487 PHE A CZ 1 ATOM 1107 N N . SER A 1 147 ? -1.375 -14.529 16.307 1.00 27.08 ? 488 SER A N 1 ATOM 1108 C CA . SER A 1 147 ? -1.410 -15.898 16.804 1.00 27.27 ? 488 SER A CA 1 ATOM 1109 C C . SER A 1 147 ? -0.045 -16.314 17.361 1.00 26.23 ? 488 SER A C 1 ATOM 1110 O O . SER A 1 147 ? 0.057 -16.937 18.413 1.00 26.09 ? 488 SER A O 1 ATOM 1111 C CB . SER A 1 147 ? -1.898 -16.902 15.722 1.00 27.20 ? 488 SER A CB 1 ATOM 1112 O OG . SER A 1 147 ? -1.222 -16.733 14.489 1.00 27.29 ? 488 SER A OG 1 ATOM 1113 N N . GLN A 1 148 ? 0.994 -16.005 16.604 1.00 25.40 ? 489 GLN A N 1 ATOM 1114 C CA . GLN A 1 148 ? 2.369 -16.277 16.992 1.00 25.21 ? 489 GLN A CA 1 ATOM 1115 C C . GLN A 1 148 ? 3.271 -15.148 16.478 1.00 24.06 ? 489 GLN A C 1 ATOM 1116 O O . GLN A 1 148 ? 2.961 -14.524 15.460 1.00 24.84 ? 489 GLN A O 1 ATOM 1117 C CB . GLN A 1 148 ? 2.846 -17.575 16.382 1.00 25.18 ? 489 GLN A CB 1 ATOM 1118 C CG . GLN A 1 148 ? 1.877 -18.684 16.470 1.00 28.32 ? 489 GLN A CG 1 ATOM 1119 C CD . GLN A 1 148 ? 2.501 -19.963 16.003 1.00 29.10 ? 489 GLN A CD 1 ATOM 1120 O OE1 . GLN A 1 148 ? 3.190 -20.634 16.772 1.00 31.29 ? 489 GLN A OE1 1 ATOM 1121 N NE2 . GLN A 1 148 ? 2.294 -20.298 14.732 1.00 32.14 ? 489 GLN A NE2 1 ATOM 1122 N N . SER A 1 149 ? 4.359 -14.873 17.182 1.00 22.74 ? 490 SER A N 1 ATOM 1123 C CA . SER A 1 149 ? 5.268 -13.798 16.770 1.00 20.49 ? 490 SER A CA 1 ATOM 1124 C C . SER A 1 149 ? 6.709 -14.094 17.185 1.00 19.49 ? 490 SER A C 1 ATOM 1125 O O . SER A 1 149 ? 6.980 -15.011 17.975 1.00 18.43 ? 490 SER A O 1 ATOM 1126 C CB . SER A 1 149 ? 4.892 -12.475 17.466 1.00 20.88 ? 490 SER A CB 1 ATOM 1127 O OG . SER A 1 149 ? 3.523 -12.113 17.297 1.00 19.57 ? 490 SER A OG 1 ATOM 1128 N N . CYS A 1 150 ? 7.620 -13.309 16.610 1.00 17.69 ? 491 CYS A N 1 ATOM 1129 C CA . CYS A 1 150 ? 8.953 -13.210 17.113 1.00 16.30 ? 491 CYS A CA 1 ATOM 1130 C C . CYS A 1 150 ? 9.084 -11.745 17.533 1.00 15.81 ? 491 CYS A C 1 ATOM 1131 O O . CYS A 1 150 ? 9.100 -10.838 16.699 1.00 15.08 ? 491 CYS A O 1 ATOM 1132 C CB . CYS A 1 150 ? 10.033 -13.625 16.097 1.00 16.63 ? 491 CYS A CB 1 ATOM 1133 S SG . CYS A 1 150 ? 11.710 -13.354 16.814 1.00 16.42 ? 491 CYS A SG 1 ATOM 1134 N N . ALA A 1 151 ? 9.124 -11.517 18.845 1.00 15.61 ? 492 ALA A N 1 ATOM 1135 C CA . ALA A 1 151 ? 9.340 -10.161 19.358 1.00 15.89 ? 492 ALA A CA 1 ATOM 1136 C C . ALA A 1 151 ? 10.408 -10.235 20.457 1.00 15.49 ? 492 ALA A C 1 ATOM 1137 O O . ALA A 1 151 ? 10.088 -10.384 21.631 1.00 15.68 ? 492 ALA A O 1 ATOM 1138 C CB . ALA A 1 151 ? 7.996 -9.559 19.873 1.00 13.98 ? 492 ALA A CB 1 ATOM 1139 N N . PRO A 1 152 ? 11.676 -10.153 20.081 1.00 14.84 ? 493 PRO A N 1 ATOM 1140 C CA . PRO A 1 152 ? 12.757 -10.275 21.069 1.00 16.73 ? 493 PRO A CA 1 ATOM 1141 C C . PRO A 1 152 ? 12.549 -9.365 22.288 1.00 17.13 ? 493 PRO A C 1 ATOM 1142 O O . PRO A 1 152 ? 12.107 -8.192 22.152 1.00 18.41 ? 493 PRO A O 1 ATOM 1143 C CB . PRO A 1 152 ? 14.033 -9.942 20.253 1.00 15.37 ? 493 PRO A CB 1 ATOM 1144 C CG . PRO A 1 152 ? 13.651 -10.479 18.845 1.00 15.13 ? 493 PRO A CG 1 ATOM 1145 C CD . PRO A 1 152 ? 12.186 -9.967 18.708 1.00 15.31 ? 493 PRO A CD 1 ATOM 1146 N N . GLY A 1 153 ? 12.799 -9.924 23.468 1.00 16.98 ? 494 GLY A N 1 ATOM 1147 C CA . GLY A 1 153 ? 12.601 -9.194 24.696 1.00 17.06 ? 494 GLY A CA 1 ATOM 1148 C C . GLY A 1 153 ? 11.327 -9.585 25.407 1.00 18.57 ? 494 GLY A C 1 ATOM 1149 O O . GLY A 1 153 ? 11.124 -9.124 26.485 1.00 18.86 ? 494 GLY A O 1 ATOM 1150 N N . ALA A 1 154 ? 10.472 -10.432 24.823 1.00 18.81 ? 495 ALA A N 1 ATOM 1151 C CA . ALA A 1 154 ? 9.261 -10.887 25.547 1.00 18.44 ? 495 ALA A CA 1 ATOM 1152 C C . ALA A 1 154 ? 9.550 -12.228 26.207 1.00 18.98 ? 495 ALA A C 1 ATOM 1153 O O . ALA A 1 154 ? 10.664 -12.784 26.024 1.00 18.22 ? 495 ALA A O 1 ATOM 1154 C CB . ALA A 1 154 ? 8.096 -11.022 24.602 1.00 17.81 ? 495 ALA A CB 1 ATOM 1155 N N . ASP A 1 155 ? 8.572 -12.751 26.954 1.00 18.45 ? 496 ASP A N 1 ATOM 1156 C CA . ASP A 1 155 ? 8.731 -14.022 27.666 1.00 20.76 ? 496 ASP A CA 1 ATOM 1157 C C . ASP A 1 155 ? 8.950 -15.147 26.648 1.00 20.54 ? 496 ASP A C 1 ATOM 1158 O O . ASP A 1 155 ? 8.169 -15.353 25.723 1.00 21.33 ? 496 ASP A O 1 ATOM 1159 C CB . ASP A 1 155 ? 7.488 -14.290 28.533 1.00 21.24 ? 496 ASP A CB 1 ATOM 1160 C CG . ASP A 1 155 ? 7.573 -15.590 29.334 1.00 25.00 ? 496 ASP A CG 1 ATOM 1161 O OD1 . ASP A 1 155 ? 8.535 -16.366 29.162 1.00 25.20 ? 496 ASP A OD1 1 ATOM 1162 O OD2 . ASP A 1 155 ? 6.700 -15.912 30.169 1.00 29.26 ? 496 ASP A OD2 1 ATOM 1163 N N . PRO A 1 156 ? 10.059 -15.845 26.791 1.00 21.76 ? 497 PRO A N 1 ATOM 1164 C CA . PRO A 1 156 ? 10.401 -16.941 25.880 1.00 22.03 ? 497 PRO A CA 1 ATOM 1165 C C . PRO A 1 156 ? 9.355 -18.039 25.805 1.00 23.48 ? 497 PRO A C 1 ATOM 1166 O O . PRO A 1 156 ? 9.361 -18.774 24.797 1.00 22.58 ? 497 PRO A O 1 ATOM 1167 C CB . PRO A 1 156 ? 11.711 -17.465 26.453 1.00 22.29 ? 497 PRO A CB 1 ATOM 1168 C CG . PRO A 1 156 ? 12.222 -16.342 27.176 1.00 22.90 ? 497 PRO A CG 1 ATOM 1169 C CD . PRO A 1 156 ? 11.099 -15.605 27.796 1.00 19.80 ? 497 PRO A CD 1 ATOM 1170 N N . LYS A 1 157 ? 8.487 -18.152 26.821 1.00 24.27 ? 498 LYS A N 1 ATOM 1171 C CA . LYS A 1 157 ? 7.445 -19.178 26.828 1.00 25.53 ? 498 LYS A CA 1 ATOM 1172 C C . LYS A 1 157 ? 6.140 -18.712 26.196 1.00 25.07 ? 498 LYS A C 1 ATOM 1173 O O . LYS A 1 157 ? 5.227 -19.526 25.983 1.00 25.41 ? 498 LYS A O 1 ATOM 1174 C CB . LYS A 1 157 ? 7.106 -19.674 28.276 1.00 26.96 ? 498 LYS A CB 1 ATOM 1175 C CG . LYS A 1 157 ? 8.249 -20.245 29.098 1.00 29.96 ? 498 LYS A CG 1 ATOM 1176 C CD . LYS A 1 157 ? 7.782 -20.447 30.540 1.00 36.09 ? 498 LYS A CD 1 ATOM 1177 C CE . LYS A 1 157 ? 6.887 -19.304 31.077 1.00 35.66 ? 498 LYS A CE 1 ATOM 1178 N NZ . LYS A 1 157 ? 7.634 -18.181 31.746 1.00 33.80 ? 498 LYS A NZ 1 ATOM 1179 N N . SER A 1 158 ? 6.019 -17.414 25.916 1.00 23.69 ? 499 SER A N 1 ATOM 1180 C CA . SER A 1 158 ? 4.806 -16.914 25.321 1.00 22.54 ? 499 SER A CA 1 ATOM 1181 C C . SER A 1 158 ? 4.794 -17.006 23.796 1.00 22.44 ? 499 SER A C 1 ATOM 1182 O O . SER A 1 158 ? 5.838 -17.251 23.157 1.00 19.97 ? 499 SER A O 1 ATOM 1183 C CB . SER A 1 158 ? 4.560 -15.481 25.763 1.00 23.09 ? 499 SER A CB 1 ATOM 1184 O OG . SER A 1 158 ? 5.540 -14.610 25.258 1.00 21.74 ? 499 SER A OG 1 ATOM 1185 N N . ARG A 1 159 ? 3.587 -16.807 23.253 1.00 21.88 ? 500 ARG A N 1 ATOM 1186 C CA . ARG A 1 159 ? 3.312 -16.775 21.835 1.00 23.50 ? 500 ARG A CA 1 ATOM 1187 C C . ARG A 1 159 ? 4.057 -15.629 21.145 1.00 22.36 ? 500 ARG A C 1 ATOM 1188 O O . ARG A 1 159 ? 4.329 -15.691 19.943 1.00 22.36 ? 500 ARG A O 1 ATOM 1189 C CB . ARG A 1 159 ? 1.817 -16.588 21.623 1.00 24.75 ? 500 ARG A CB 1 ATOM 1190 C CG . ARG A 1 159 ? 1.360 -15.273 22.164 1.00 30.53 ? 500 ARG A CG 1 ATOM 1191 C CD . ARG A 1 159 ? 0.009 -15.332 22.861 1.00 42.26 ? 500 ARG A CD 1 ATOM 1192 N NE . ARG A 1 159 ? -1.088 -15.076 21.942 1.00 45.79 ? 500 ARG A NE 1 ATOM 1193 C CZ . ARG A 1 159 ? -1.875 -16.017 21.493 1.00 49.04 ? 500 ARG A CZ 1 ATOM 1194 N NH1 . ARG A 1 159 ? -1.653 -17.280 21.865 1.00 49.39 ? 500 ARG A NH1 1 ATOM 1195 N NH2 . ARG A 1 159 ? -2.866 -15.697 20.662 1.00 49.98 ? 500 ARG A NH2 1 ATOM 1196 N N . LEU A 1 160 ? 4.407 -14.612 21.911 1.00 20.86 ? 501 LEU A N 1 ATOM 1197 C CA . LEU A 1 160 ? 5.197 -13.519 21.373 1.00 20.51 ? 501 LEU A CA 1 ATOM 1198 C C . LEU A 1 160 ? 6.612 -13.974 21.027 1.00 19.00 ? 501 LEU A C 1 ATOM 1199 O O . LEU A 1 160 ? 7.320 -13.282 20.325 1.00 19.29 ? 501 LEU A O 1 ATOM 1200 C CB . LEU A 1 160 ? 5.232 -12.365 22.365 1.00 20.32 ? 501 LEU A CB 1 ATOM 1201 C CG . LEU A 1 160 ? 3.927 -11.570 22.354 1.00 22.92 ? 501 LEU A CG 1 ATOM 1202 C CD1 . LEU A 1 160 ? 3.870 -10.580 23.548 1.00 21.14 ? 501 LEU A CD1 1 ATOM 1203 C CD2 . LEU A 1 160 ? 3.755 -10.844 21.004 1.00 22.93 ? 501 LEU A CD2 1 ATOM 1204 N N . CYS A 1 161 ? 7.025 -15.127 21.540 1.00 17.99 ? 502 CYS A N 1 ATOM 1205 C CA . CYS A 1 161 ? 8.384 -15.629 21.269 1.00 17.42 ? 502 CYS A CA 1 ATOM 1206 C C . CYS A 1 161 ? 8.378 -16.929 20.467 1.00 17.43 ? 502 CYS A C 1 ATOM 1207 O O . CYS A 1 161 ? 9.463 -17.467 20.118 1.00 17.62 ? 502 CYS A O 1 ATOM 1208 C CB . CYS A 1 161 ? 9.206 -15.788 22.542 1.00 16.75 ? 502 CYS A CB 1 ATOM 1209 S SG . CYS A 1 161 ? 9.850 -14.299 23.345 1.00 19.60 ? 502 CYS A SG 1 ATOM 1210 N N . ALA A 1 162 ? 7.174 -17.372 20.108 1.00 16.77 ? 503 ALA A N 1 ATOM 1211 C CA . ALA A 1 162 ? 6.972 -18.656 19.424 1.00 18.88 ? 503 ALA A CA 1 ATOM 1212 C C . ALA A 1 162 ? 7.756 -18.829 18.144 1.00 18.50 ? 503 ALA A C 1 ATOM 1213 O O . ALA A 1 162 ? 8.270 -19.901 17.864 1.00 21.24 ? 503 ALA A O 1 ATOM 1214 C CB . ALA A 1 162 ? 5.452 -18.934 19.148 1.00 17.83 ? 503 ALA A CB 1 ATOM 1215 N N . LEU A 1 163 ? 7.903 -17.758 17.398 1.00 18.84 ? 504 LEU A N 1 ATOM 1216 C CA . LEU A 1 163 ? 8.549 -17.805 16.116 1.00 17.79 ? 504 LEU A CA 1 ATOM 1217 C C . LEU A 1 163 ? 10.033 -17.480 16.122 1.00 18.03 ? 504 LEU A C 1 ATOM 1218 O O . LEU A 1 163 ? 10.680 -17.631 15.065 1.00 18.16 ? 504 LEU A O 1 ATOM 1219 C CB . LEU A 1 163 ? 7.795 -16.865 15.175 1.00 17.58 ? 504 LEU A CB 1 ATOM 1220 C CG . LEU A 1 163 ? 6.603 -17.333 14.291 1.00 19.00 ? 504 LEU A CG 1 ATOM 1221 C CD1 . LEU A 1 163 ? 5.815 -18.541 14.716 1.00 19.01 ? 504 LEU A CD1 1 ATOM 1222 C CD2 . LEU A 1 163 ? 5.677 -16.153 13.991 1.00 14.03 ? 504 LEU A CD2 1 ATOM 1223 N N . CYS A 1 164 ? 10.584 -17.033 17.267 1.00 16.35 ? 505 CYS A N 1 ATOM 1224 C CA . CYS A 1 164 ? 12.029 -16.717 17.326 1.00 16.13 ? 505 CYS A CA 1 ATOM 1225 C C . CYS A 1 164 ? 12.830 -18.002 17.347 1.00 17.21 ? 505 CYS A C 1 ATOM 1226 O O . CYS A 1 164 ? 12.365 -19.053 17.817 1.00 17.45 ? 505 CYS A O 1 ATOM 1227 C CB . CYS A 1 164 ? 12.431 -15.847 18.549 1.00 15.19 ? 505 CYS A CB 1 ATOM 1228 S SG . CYS A 1 164 ? 11.573 -14.287 18.631 1.00 16.22 ? 505 CYS A SG 1 ATOM 1229 N N . ALA A 1 165 ? 14.052 -17.903 16.853 1.00 18.29 ? 506 ALA A N 1 ATOM 1230 C CA . ALA A 1 165 ? 14.869 -19.058 16.587 1.00 20.04 ? 506 ALA A CA 1 ATOM 1231 C C . ALA A 1 165 ? 16.079 -19.249 17.448 1.00 20.20 ? 506 ALA A C 1 ATOM 1232 O O . ALA A 1 165 ? 16.594 -20.342 17.476 1.00 23.34 ? 506 ALA A O 1 ATOM 1233 C CB . ALA A 1 165 ? 15.306 -19.034 15.125 1.00 20.27 ? 506 ALA A CB 1 ATOM 1234 N N . GLY A 1 166 ? 16.586 -18.212 18.098 1.00 20.50 ? 507 GLY A N 1 ATOM 1235 C CA . GLY A 1 166 ? 17.800 -18.358 18.847 1.00 20.79 ? 507 GLY A CA 1 ATOM 1236 C C . GLY A 1 166 ? 19.016 -18.321 17.937 1.00 21.75 ? 507 GLY A C 1 ATOM 1237 O O . GLY A 1 166 ? 18.956 -17.848 16.802 1.00 21.09 ? 507 GLY A O 1 ATOM 1238 N N . ASP A 1 167 ? 20.141 -18.798 18.454 1.00 23.07 ? 508 ASP A N 1 ATOM 1239 C CA . ASP A 1 167 ? 21.393 -18.754 17.698 1.00 24.64 ? 508 ASP A CA 1 ATOM 1240 C C . ASP A 1 167 ? 21.594 -20.049 16.879 1.00 26.86 ? 508 ASP A C 1 ATOM 1241 O O . ASP A 1 167 ? 20.639 -20.784 16.659 1.00 26.25 ? 508 ASP A O 1 ATOM 1242 C CB . ASP A 1 167 ? 22.558 -18.487 18.652 1.00 24.07 ? 508 ASP A CB 1 ATOM 1243 C CG . ASP A 1 167 ? 22.825 -19.654 19.584 1.00 21.04 ? 508 ASP A CG 1 ATOM 1244 O OD1 . ASP A 1 167 ? 22.247 -20.741 19.403 1.00 21.37 ? 508 ASP A OD1 1 ATOM 1245 O OD2 . ASP A 1 167 ? 23.591 -19.584 20.534 1.00 22.60 ? 508 ASP A OD2 1 ATOM 1246 N N . ASP A 1 168 ? 22.808 -20.283 16.375 1.00 30.24 ? 509 ASP A N 1 ATOM 1247 C CA . ASP A 1 168 ? 23.150 -21.534 15.656 1.00 34.03 ? 509 ASP A CA 1 ATOM 1248 C C . ASP A 1 168 ? 22.659 -22.783 16.356 1.00 35.07 ? 509 ASP A C 1 ATOM 1249 O O . ASP A 1 168 ? 22.097 -23.683 15.733 1.00 36.41 ? 509 ASP A O 1 ATOM 1250 C CB . ASP A 1 168 ? 24.669 -21.722 15.576 1.00 35.35 ? 509 ASP A CB 1 ATOM 1251 C CG . ASP A 1 168 ? 25.335 -20.684 14.735 1.00 39.08 ? 509 ASP A CG 1 ATOM 1252 O OD1 . ASP A 1 168 ? 24.734 -20.317 13.678 1.00 41.97 ? 509 ASP A OD1 1 ATOM 1253 O OD2 . ASP A 1 168 ? 26.453 -20.184 15.063 1.00 43.21 ? 509 ASP A OD2 1 ATOM 1254 N N . GLN A 1 169 ? 22.876 -22.835 17.663 1.00 35.91 ? 510 GLN A N 1 ATOM 1255 C CA . GLN A 1 169 ? 22.531 -24.016 18.449 1.00 36.26 ? 510 GLN A CA 1 ATOM 1256 C C . GLN A 1 169 ? 21.150 -23.956 19.031 1.00 35.01 ? 510 GLN A C 1 ATOM 1257 O O . GLN A 1 169 ? 20.791 -24.776 19.877 1.00 34.63 ? 510 GLN A O 1 ATOM 1258 C CB . GLN A 1 169 ? 23.510 -24.179 19.609 1.00 37.34 ? 510 GLN A CB 1 ATOM 1259 C CG . GLN A 1 169 ? 24.954 -24.287 19.181 1.00 41.58 ? 510 GLN A CG 1 ATOM 1260 C CD . GLN A 1 169 ? 25.732 -25.180 20.114 1.00 46.20 ? 510 GLN A CD 1 ATOM 1261 O OE1 . GLN A 1 169 ? 25.427 -26.379 20.241 1.00 49.97 ? 510 GLN A OE1 1 ATOM 1262 N NE2 . GLN A 1 169 ? 26.723 -24.607 20.788 1.00 47.92 ? 510 GLN A NE2 1 ATOM 1263 N N . GLY A 1 170 ? 20.374 -22.975 18.612 1.00 33.82 ? 511 GLY A N 1 ATOM 1264 C CA . GLY A 1 170 ? 19.049 -22.861 19.159 1.00 31.62 ? 511 GLY A CA 1 ATOM 1265 C C . GLY A 1 170 ? 19.074 -22.311 20.563 1.00 30.78 ? 511 GLY A C 1 ATOM 1266 O O . GLY A 1 170 ? 18.069 -22.400 21.276 1.00 32.58 ? 511 GLY A O 1 ATOM 1267 N N . LEU A 1 171 ? 20.182 -21.698 20.978 1.00 28.45 ? 512 LEU A N 1 ATOM 1268 C CA . LEU A 1 171 ? 20.210 -21.130 22.307 1.00 26.22 ? 512 LEU A CA 1 ATOM 1269 C C . LEU A 1 171 ? 19.820 -19.647 22.261 1.00 24.66 ? 512 LEU A C 1 ATOM 1270 O O . LEU A 1 171 ? 19.775 -19.061 21.189 1.00 23.55 ? 512 LEU A O 1 ATOM 1271 C CB . LEU A 1 171 ? 21.582 -21.286 22.928 1.00 25.74 ? 512 LEU A CB 1 ATOM 1272 C CG . LEU A 1 171 ? 22.167 -22.702 23.018 1.00 26.95 ? 512 LEU A CG 1 ATOM 1273 C CD1 . LEU A 1 171 ? 23.423 -22.659 23.806 1.00 26.48 ? 512 LEU A CD1 1 ATOM 1274 C CD2 . LEU A 1 171 ? 21.225 -23.695 23.619 1.00 23.94 ? 512 LEU A CD2 1 ATOM 1275 N N . ASP A 1 172 ? 19.552 -19.054 23.418 1.00 22.53 ? 513 ASP A N 1 ATOM 1276 C CA . ASP A 1 172 ? 19.264 -17.613 23.469 1.00 22.46 ? 513 ASP A CA 1 ATOM 1277 C C . ASP A 1 172 ? 17.995 -17.237 22.681 1.00 21.47 ? 513 ASP A C 1 ATOM 1278 O O . ASP A 1 172 ? 17.882 -16.123 22.105 1.00 19.99 ? 513 ASP A O 1 ATOM 1279 C CB . ASP A 1 172 ? 20.443 -16.849 22.882 1.00 24.08 ? 513 ASP A CB 1 ATOM 1280 C CG . ASP A 1 172 ? 21.564 -16.630 23.880 1.00 28.70 ? 513 ASP A CG 1 ATOM 1281 O OD1 . ASP A 1 172 ? 21.245 -16.373 25.050 1.00 31.58 ? 513 ASP A OD1 1 ATOM 1282 O OD2 . ASP A 1 172 ? 22.792 -16.642 23.576 1.00 31.29 ? 513 ASP A OD2 1 ATOM 1283 N N . LYS A 1 173 ? 17.056 -18.171 22.597 1.00 19.46 ? 514 LYS A N 1 ATOM 1284 C CA . LYS A 1 173 ? 15.836 -17.872 21.861 1.00 18.58 ? 514 LYS A CA 1 ATOM 1285 C C . LYS A 1 173 ? 15.131 -16.640 22.424 1.00 17.17 ? 514 LYS A C 1 ATOM 1286 O O . LYS A 1 173 ? 14.832 -16.544 23.627 1.00 17.12 ? 514 LYS A O 1 ATOM 1287 C CB . LYS A 1 173 ? 14.947 -19.111 21.808 1.00 19.71 ? 514 LYS A CB 1 ATOM 1288 C CG . LYS A 1 173 ? 13.551 -18.920 21.324 1.00 23.31 ? 514 LYS A CG 1 ATOM 1289 C CD . LYS A 1 173 ? 12.864 -20.271 21.394 1.00 34.97 ? 514 LYS A CD 1 ATOM 1290 C CE . LYS A 1 173 ? 13.554 -21.292 20.427 1.00 39.04 ? 514 LYS A CE 1 ATOM 1291 N NZ . LYS A 1 173 ? 12.815 -22.626 20.295 1.00 43.24 ? 514 LYS A NZ 1 ATOM 1292 N N . CYS A 1 174 ? 14.893 -15.671 21.542 1.00 14.82 ? 515 CYS A N 1 ATOM 1293 C CA . CYS A 1 174 ? 14.168 -14.470 21.898 1.00 14.47 ? 515 CYS A CA 1 ATOM 1294 C C . CYS A 1 174 ? 14.977 -13.455 22.725 1.00 14.12 ? 515 CYS A C 1 ATOM 1295 O O . CYS A 1 174 ? 14.437 -12.481 23.215 1.00 14.31 ? 515 CYS A O 1 ATOM 1296 C CB . CYS A 1 174 ? 12.804 -14.813 22.563 1.00 14.80 ? 515 CYS A CB 1 ATOM 1297 S SG . CYS A 1 174 ? 11.375 -13.718 22.139 1.00 14.49 ? 515 CYS A SG 1 ATOM 1298 N N . VAL A 1 175 ? 16.275 -13.608 22.837 1.00 15.09 ? 516 VAL A N 1 ATOM 1299 C CA . VAL A 1 175 ? 16.995 -12.591 23.582 1.00 17.04 ? 516 VAL A CA 1 ATOM 1300 C C . VAL A 1 175 ? 16.991 -11.362 22.694 1.00 16.64 ? 516 VAL A C 1 ATOM 1301 O O . VAL A 1 175 ? 16.990 -11.490 21.474 1.00 17.25 ? 516 VAL A O 1 ATOM 1302 C CB . VAL A 1 175 ? 18.455 -12.934 23.858 1.00 17.44 ? 516 VAL A CB 1 ATOM 1303 C CG1 . VAL A 1 175 ? 18.568 -14.091 24.798 1.00 21.48 ? 516 VAL A CG1 1 ATOM 1304 C CG2 . VAL A 1 175 ? 19.194 -13.200 22.533 1.00 19.83 ? 516 VAL A CG2 1 ATOM 1305 N N . PRO A 1 176 ? 16.889 -10.178 23.280 1.00 16.74 ? 517 PRO A N 1 ATOM 1306 C CA . PRO A 1 176 ? 16.951 -8.959 22.464 1.00 16.23 ? 517 PRO A CA 1 ATOM 1307 C C . PRO A 1 176 ? 18.385 -8.543 22.087 1.00 15.66 ? 517 PRO A C 1 ATOM 1308 O O . PRO A 1 176 ? 18.861 -7.468 22.465 1.00 16.33 ? 517 PRO A O 1 ATOM 1309 C CB . PRO A 1 176 ? 16.281 -7.909 23.344 1.00 16.05 ? 517 PRO A CB 1 ATOM 1310 C CG . PRO A 1 176 ? 16.548 -8.349 24.759 1.00 17.26 ? 517 PRO A CG 1 ATOM 1311 C CD . PRO A 1 176 ? 16.623 -9.894 24.709 1.00 16.64 ? 517 PRO A CD 1 ATOM 1312 N N . ASN A 1 177 ? 19.078 -9.386 21.339 1.00 16.17 ? 518 ASN A N 1 ATOM 1313 C CA . ASN A 1 177 ? 20.399 -8.992 20.795 1.00 15.69 ? 518 ASN A CA 1 ATOM 1314 C C . ASN A 1 177 ? 20.630 -9.784 19.534 1.00 15.71 ? 518 ASN A C 1 ATOM 1315 O O . ASN A 1 177 ? 19.830 -10.678 19.223 1.00 16.68 ? 518 ASN A O 1 ATOM 1316 C CB . ASN A 1 177 ? 21.562 -9.097 21.806 1.00 14.74 ? 518 ASN A CB 1 ATOM 1317 C CG . ASN A 1 177 ? 21.944 -10.549 22.164 1.00 16.11 ? 518 ASN A CG 1 ATOM 1318 O OD1 . ASN A 1 177 ? 21.999 -11.435 21.323 1.00 21.10 ? 518 ASN A OD1 1 ATOM 1319 N ND2 . ASN A 1 177 ? 22.222 -10.769 23.417 1.00 15.56 ? 518 ASN A ND2 1 ATOM 1320 N N . SER A 1 178 ? 21.721 -9.496 18.817 1.00 16.21 ? 519 SER A N 1 ATOM 1321 C CA . SER A 1 178 ? 21.931 -10.124 17.530 1.00 17.41 ? 519 SER A CA 1 ATOM 1322 C C . SER A 1 178 ? 22.233 -11.624 17.594 1.00 18.88 ? 519 SER A C 1 ATOM 1323 O O . SER A 1 178 ? 22.331 -12.246 16.557 1.00 20.28 ? 519 SER A O 1 ATOM 1324 C CB . SER A 1 178 ? 22.941 -9.363 16.662 1.00 16.80 ? 519 SER A CB 1 ATOM 1325 O OG . SER A 1 178 ? 24.255 -9.450 17.210 1.00 18.38 ? 519 SER A OG 1 ATOM 1326 N N . LYS A 1 179 ? 22.332 -12.229 18.774 1.00 19.56 ? 520 LYS A N 1 ATOM 1327 C CA . LYS A 1 179 ? 22.441 -13.688 18.775 1.00 20.73 ? 520 LYS A CA 1 ATOM 1328 C C . LYS A 1 179 ? 21.125 -14.301 18.321 1.00 21.07 ? 520 LYS A C 1 ATOM 1329 O O . LYS A 1 179 ? 21.090 -15.443 17.852 1.00 21.25 ? 520 LYS A O 1 ATOM 1330 C CB . LYS A 1 179 ? 22.760 -14.206 20.156 1.00 20.46 ? 520 LYS A CB 1 ATOM 1331 C CG . LYS A 1 179 ? 24.222 -14.143 20.415 1.00 25.22 ? 520 LYS A CG 1 ATOM 1332 C CD . LYS A 1 179 ? 24.540 -14.985 21.621 1.00 30.86 ? 520 LYS A CD 1 ATOM 1333 C CE . LYS A 1 179 ? 24.078 -16.393 21.373 1.00 32.69 ? 520 LYS A CE 1 ATOM 1334 N NZ . LYS A 1 179 ? 24.676 -17.252 22.396 1.00 35.68 ? 520 LYS A NZ 1 ATOM 1335 N N . GLU A 1 180 ? 20.024 -13.562 18.490 1.00 19.29 ? 521 GLU A N 1 ATOM 1336 C CA . GLU A 1 180 ? 18.738 -14.123 18.080 1.00 17.60 ? 521 GLU A CA 1 ATOM 1337 C C . GLU A 1 180 ? 18.693 -13.905 16.561 1.00 16.28 ? 521 GLU A C 1 ATOM 1338 O O . GLU A 1 180 ? 18.962 -12.811 16.067 1.00 14.08 ? 521 GLU A O 1 ATOM 1339 C CB . GLU A 1 180 ? 17.556 -13.469 18.848 1.00 16.27 ? 521 GLU A CB 1 ATOM 1340 C CG . GLU A 1 180 ? 16.225 -13.436 18.084 1.00 16.13 ? 521 GLU A CG 1 ATOM 1341 C CD . GLU A 1 180 ? 15.685 -14.850 17.840 1.00 18.06 ? 521 GLU A CD 1 ATOM 1342 O OE1 . GLU A 1 180 ? 15.505 -15.603 18.837 1.00 19.49 ? 521 GLU A OE1 1 ATOM 1343 O OE2 . GLU A 1 180 ? 15.508 -15.234 16.662 1.00 15.35 ? 521 GLU A OE2 1 ATOM 1344 N N . LYS A 1 181 ? 18.390 -14.962 15.816 1.00 16.86 ? 522 LYS A N 1 ATOM 1345 C CA . LYS A 1 181 ? 18.389 -14.919 14.346 1.00 16.79 ? 522 LYS A CA 1 ATOM 1346 C C . LYS A 1 181 ? 17.456 -13.861 13.784 1.00 16.55 ? 522 LYS A C 1 ATOM 1347 O O . LYS A 1 181 ? 17.802 -13.179 12.816 1.00 15.42 ? 522 LYS A O 1 ATOM 1348 C CB . LYS A 1 181 ? 17.951 -16.296 13.831 1.00 17.87 ? 522 LYS A CB 1 ATOM 1349 C CG . LYS A 1 181 ? 17.668 -16.409 12.343 1.00 21.66 ? 522 LYS A CG 1 ATOM 1350 C CD . LYS A 1 181 ? 17.364 -17.889 11.981 1.00 24.83 ? 522 LYS A CD 1 ATOM 1351 C CE . LYS A 1 181 ? 17.383 -18.132 10.509 1.00 30.20 ? 522 LYS A CE 1 ATOM 1352 N NZ . LYS A 1 181 ? 17.297 -19.604 10.160 1.00 34.14 ? 522 LYS A NZ 1 ATOM 1353 N N . TYR A 1 182 ? 16.240 -13.749 14.354 1.00 15.40 ? 523 TYR A N 1 ATOM 1354 C CA . TYR A 1 182 ? 15.274 -12.768 13.851 1.00 14.68 ? 523 TYR A CA 1 ATOM 1355 C C . TYR A 1 182 ? 15.261 -11.434 14.635 1.00 14.58 ? 523 TYR A C 1 ATOM 1356 O O . TYR A 1 182 ? 14.201 -10.760 14.704 1.00 15.70 ? 523 TYR A O 1 ATOM 1357 C CB . TYR A 1 182 ? 13.842 -13.360 13.763 1.00 14.12 ? 523 TYR A CB 1 ATOM 1358 C CG . TYR A 1 182 ? 13.771 -14.567 12.866 1.00 15.71 ? 523 TYR A CG 1 ATOM 1359 C CD1 . TYR A 1 182 ? 14.321 -14.542 11.580 1.00 21.16 ? 523 TYR A CD1 1 ATOM 1360 C CD2 . TYR A 1 182 ? 13.243 -15.751 13.316 1.00 20.88 ? 523 TYR A CD2 1 ATOM 1361 C CE1 . TYR A 1 182 ? 14.318 -15.701 10.753 1.00 20.52 ? 523 TYR A CE1 1 ATOM 1362 C CE2 . TYR A 1 182 ? 13.210 -16.899 12.515 1.00 21.51 ? 523 TYR A CE2 1 ATOM 1363 C CZ . TYR A 1 182 ? 13.761 -16.875 11.231 1.00 21.88 ? 523 TYR A CZ 1 ATOM 1364 O OH . TYR A 1 182 ? 13.721 -18.029 10.421 1.00 17.84 ? 523 TYR A OH 1 ATOM 1365 N N . TYR A 1 183 ? 16.396 -11.050 15.225 1.00 13.54 ? 524 TYR A N 1 ATOM 1366 C CA . TYR A 1 183 ? 16.446 -9.776 15.956 1.00 14.38 ? 524 TYR A CA 1 ATOM 1367 C C . TYR A 1 183 ? 16.692 -8.563 15.062 1.00 14.25 ? 524 TYR A C 1 ATOM 1368 O O . TYR A 1 183 ? 17.420 -8.637 14.090 1.00 14.76 ? 524 TYR A O 1 ATOM 1369 C CB . TYR A 1 183 ? 17.565 -9.797 17.012 1.00 14.72 ? 524 TYR A CB 1 ATOM 1370 C CG . TYR A 1 183 ? 17.826 -8.461 17.682 1.00 15.23 ? 524 TYR A CG 1 ATOM 1371 C CD1 . TYR A 1 183 ? 16.979 -8.011 18.693 1.00 12.59 ? 524 TYR A CD1 1 ATOM 1372 C CD2 . TYR A 1 183 ? 18.907 -7.660 17.329 1.00 16.11 ? 524 TYR A CD2 1 ATOM 1373 C CE1 . TYR A 1 183 ? 17.195 -6.848 19.332 1.00 15.68 ? 524 TYR A CE1 1 ATOM 1374 C CE2 . TYR A 1 183 ? 19.105 -6.389 17.960 1.00 15.86 ? 524 TYR A CE2 1 ATOM 1375 C CZ . TYR A 1 183 ? 18.213 -6.013 18.950 1.00 16.52 ? 524 TYR A CZ 1 ATOM 1376 O OH . TYR A 1 183 ? 18.292 -4.839 19.672 1.00 20.33 ? 524 TYR A OH 1 ATOM 1377 N N . GLY A 1 184 ? 16.087 -7.428 15.397 1.00 15.49 ? 525 GLY A N 1 ATOM 1378 C CA . GLY A 1 184 ? 16.410 -6.175 14.751 1.00 14.66 ? 525 GLY A CA 1 ATOM 1379 C C . GLY A 1 184 ? 15.796 -6.003 13.388 1.00 16.00 ? 525 GLY A C 1 ATOM 1380 O O . GLY A 1 184 ? 14.996 -6.848 12.947 1.00 16.35 ? 525 GLY A O 1 ATOM 1381 N N . TYR A 1 185 ? 16.129 -4.891 12.734 1.00 14.11 ? 526 TYR A N 1 ATOM 1382 C CA . TYR A 1 185 ? 15.571 -4.610 11.431 1.00 13.94 ? 526 TYR A CA 1 ATOM 1383 C C . TYR A 1 185 ? 15.806 -5.756 10.465 1.00 15.26 ? 526 TYR A C 1 ATOM 1384 O O . TYR A 1 185 ? 14.881 -6.220 9.768 1.00 14.56 ? 526 TYR A O 1 ATOM 1385 C CB . TYR A 1 185 ? 16.178 -3.325 10.822 1.00 13.94 ? 526 TYR A CB 1 ATOM 1386 C CG . TYR A 1 185 ? 15.841 -2.000 11.531 1.00 13.67 ? 526 TYR A CG 1 ATOM 1387 C CD1 . TYR A 1 185 ? 14.505 -1.553 11.677 1.00 14.13 ? 526 TYR A CD1 1 ATOM 1388 C CD2 . TYR A 1 185 ? 16.856 -1.186 11.989 1.00 12.42 ? 526 TYR A CD2 1 ATOM 1389 C CE1 . TYR A 1 185 ? 14.213 -0.313 12.289 1.00 12.10 ? 526 TYR A CE1 1 ATOM 1390 C CE2 . TYR A 1 185 ? 16.609 -0.002 12.607 1.00 12.46 ? 526 TYR A CE2 1 ATOM 1391 C CZ . TYR A 1 185 ? 15.277 0.446 12.770 1.00 14.39 ? 526 TYR A CZ 1 ATOM 1392 O OH . TYR A 1 185 ? 15.051 1.635 13.393 1.00 14.56 ? 526 TYR A OH 1 ATOM 1393 N N . THR A 1 186 ? 17.069 -6.154 10.348 1.00 16.80 ? 527 THR A N 1 ATOM 1394 C CA . THR A 1 186 ? 17.428 -7.242 9.481 1.00 18.18 ? 527 THR A CA 1 ATOM 1395 C C . THR A 1 186 ? 16.760 -8.596 9.814 1.00 16.72 ? 527 THR A C 1 ATOM 1396 O O . THR A 1 186 ? 16.318 -9.322 8.932 1.00 16.36 ? 527 THR A O 1 ATOM 1397 C CB . THR A 1 186 ? 18.948 -7.416 9.575 1.00 19.64 ? 527 THR A CB 1 ATOM 1398 O OG1 . THR A 1 186 ? 19.540 -6.295 8.891 1.00 23.44 ? 527 THR A OG1 1 ATOM 1399 C CG2 . THR A 1 186 ? 19.369 -8.618 8.743 1.00 22.81 ? 527 THR A CG2 1 ATOM 1400 N N . GLY A 1 187 ? 16.773 -8.945 11.094 1.00 16.51 ? 528 GLY A N 1 ATOM 1401 C CA . GLY A 1 187 ? 16.209 -10.184 11.592 1.00 14.46 ? 528 GLY A CA 1 ATOM 1402 C C . GLY A 1 187 ? 14.724 -10.230 11.364 1.00 14.71 ? 528 GLY A C 1 ATOM 1403 O O . GLY A 1 187 ? 14.223 -11.241 10.919 1.00 13.27 ? 528 GLY A O 1 ATOM 1404 N N . ALA A 1 188 ? 14.018 -9.118 11.582 1.00 14.49 ? 529 ALA A N 1 ATOM 1405 C CA . ALA A 1 188 ? 12.577 -9.152 11.317 1.00 15.48 ? 529 ALA A CA 1 ATOM 1406 C C . ALA A 1 188 ? 12.247 -9.257 9.834 1.00 16.21 ? 529 ALA A C 1 ATOM 1407 O O . ALA A 1 188 ? 11.293 -9.912 9.438 1.00 16.94 ? 529 ALA A O 1 ATOM 1408 C CB . ALA A 1 188 ? 11.816 -7.928 12.013 1.00 14.96 ? 529 ALA A CB 1 ATOM 1409 N N . PHE A 1 189 ? 13.026 -8.611 8.983 1.00 17.69 ? 530 PHE A N 1 ATOM 1410 C CA . PHE A 1 189 ? 12.774 -8.744 7.568 1.00 17.12 ? 530 PHE A CA 1 ATOM 1411 C C . PHE A 1 189 ? 13.050 -10.192 7.150 1.00 17.99 ? 530 PHE A C 1 ATOM 1412 O O . PHE A 1 189 ? 12.263 -10.797 6.403 1.00 17.05 ? 530 PHE A O 1 ATOM 1413 C CB . PHE A 1 189 ? 13.612 -7.750 6.764 1.00 18.50 ? 530 PHE A CB 1 ATOM 1414 C CG . PHE A 1 189 ? 13.261 -7.737 5.310 1.00 17.94 ? 530 PHE A CG 1 ATOM 1415 C CD1 . PHE A 1 189 ? 11.976 -7.510 4.923 1.00 18.94 ? 530 PHE A CD1 1 ATOM 1416 C CD2 . PHE A 1 189 ? 14.196 -8.061 4.359 1.00 20.84 ? 530 PHE A CD2 1 ATOM 1417 C CE1 . PHE A 1 189 ? 11.597 -7.537 3.597 1.00 18.75 ? 530 PHE A CE1 1 ATOM 1418 C CE2 . PHE A 1 189 ? 13.837 -8.104 3.019 1.00 20.83 ? 530 PHE A CE2 1 ATOM 1419 C CZ . PHE A 1 189 ? 12.514 -7.841 2.643 1.00 21.00 ? 530 PHE A CZ 1 ATOM 1420 N N . ARG A 1 190 ? 14.147 -10.777 7.645 1.00 18.30 ? 531 ARG A N 1 ATOM 1421 C CA . ARG A 1 190 ? 14.433 -12.181 7.321 1.00 18.41 ? 531 ARG A CA 1 ATOM 1422 C C . ARG A 1 190 ? 13.315 -13.145 7.771 1.00 18.79 ? 531 ARG A C 1 ATOM 1423 O O . ARG A 1 190 ? 13.011 -14.137 7.097 1.00 19.72 ? 531 ARG A O 1 ATOM 1424 C CB . ARG A 1 190 ? 15.759 -12.603 7.930 1.00 18.88 ? 531 ARG A CB 1 ATOM 1425 C CG . ARG A 1 190 ? 16.124 -14.010 7.662 1.00 16.77 ? 531 ARG A CG 1 ATOM 1426 C CD . ARG A 1 190 ? 17.460 -14.404 8.317 1.00 19.15 ? 531 ARG A CD 1 ATOM 1427 N NE . ARG A 1 190 ? 17.846 -15.793 8.079 1.00 19.88 ? 531 ARG A NE 1 ATOM 1428 C CZ . ARG A 1 190 ? 19.072 -16.294 8.298 1.00 22.97 ? 531 ARG A CZ 1 ATOM 1429 N NH1 . ARG A 1 190 ? 20.040 -15.559 8.818 1.00 21.75 ? 531 ARG A NH1 1 ATOM 1430 N NH2 . ARG A 1 190 ? 19.331 -17.560 8.019 1.00 26.42 ? 531 ARG A NH2 1 ATOM 1431 N N . CYS A 1 191 ? 12.696 -12.843 8.899 1.00 18.48 ? 532 CYS A N 1 ATOM 1432 C CA . CYS A 1 191 ? 11.575 -13.615 9.436 1.00 18.61 ? 532 CYS A CA 1 ATOM 1433 C C . CYS A 1 191 ? 10.435 -13.589 8.421 1.00 20.01 ? 532 CYS A C 1 ATOM 1434 O O . CYS A 1 191 ? 9.781 -14.644 8.149 1.00 19.26 ? 532 CYS A O 1 ATOM 1435 C CB . CYS A 1 191 ? 11.199 -13.065 10.835 1.00 18.18 ? 532 CYS A CB 1 ATOM 1436 S SG . CYS A 1 191 ? 9.593 -13.452 11.588 1.00 18.70 ? 532 CYS A SG 1 ATOM 1437 N N . LEU A 1 192 ? 10.191 -12.406 7.834 1.00 19.84 ? 533 LEU A N 1 ATOM 1438 C CA . LEU A 1 192 ? 9.195 -12.318 6.767 1.00 20.07 ? 533 LEU A CA 1 ATOM 1439 C C . LEU A 1 192 ? 9.629 -13.090 5.516 1.00 20.69 ? 533 LEU A C 1 ATOM 1440 O O . LEU A 1 192 ? 8.885 -13.906 4.973 1.00 22.28 ? 533 LEU A O 1 ATOM 1441 C CB . LEU A 1 192 ? 8.904 -10.838 6.388 1.00 20.36 ? 533 LEU A CB 1 ATOM 1442 C CG . LEU A 1 192 ? 7.941 -10.661 5.209 1.00 18.05 ? 533 LEU A CG 1 ATOM 1443 C CD1 . LEU A 1 192 ? 6.497 -11.065 5.613 1.00 18.70 ? 533 LEU A CD1 1 ATOM 1444 C CD2 . LEU A 1 192 ? 7.975 -9.186 4.736 1.00 16.10 ? 533 LEU A CD2 1 ATOM 1445 N N . ALA A 1 193 ? 10.828 -12.828 5.041 1.00 20.30 ? 534 ALA A N 1 ATOM 1446 C CA . ALA A 1 193 ? 11.311 -13.444 3.818 1.00 22.30 ? 534 ALA A CA 1 ATOM 1447 C C . ALA A 1 193 ? 11.389 -14.980 3.830 1.00 23.09 ? 534 ALA A C 1 ATOM 1448 O O . ALA A 1 193 ? 11.199 -15.604 2.791 1.00 24.19 ? 534 ALA A O 1 ATOM 1449 C CB . ALA A 1 193 ? 12.668 -12.832 3.424 1.00 22.37 ? 534 ALA A CB 1 ATOM 1450 N N . GLU A 1 194 ? 11.666 -15.594 4.974 1.00 22.90 ? 535 GLU A N 1 ATOM 1451 C CA . GLU A 1 194 ? 11.707 -17.033 5.005 1.00 24.26 ? 535 GLU A CA 1 ATOM 1452 C C . GLU A 1 194 ? 10.308 -17.533 5.244 1.00 24.44 ? 535 GLU A C 1 ATOM 1453 O O . GLU A 1 194 ? 10.094 -18.708 5.503 1.00 24.25 ? 535 GLU A O 1 ATOM 1454 C CB . GLU A 1 194 ? 12.614 -17.529 6.114 1.00 24.49 ? 535 GLU A CB 1 ATOM 1455 C CG . GLU A 1 194 ? 14.012 -16.995 5.977 1.00 25.55 ? 535 GLU A CG 1 ATOM 1456 C CD . GLU A 1 194 ? 14.977 -17.625 6.927 1.00 23.55 ? 535 GLU A CD 1 ATOM 1457 O OE1 . GLU A 1 194 ? 14.622 -17.905 8.080 1.00 23.30 ? 535 GLU A OE1 1 ATOM 1458 O OE2 . GLU A 1 194 ? 16.118 -17.806 6.513 1.00 27.12 ? 535 GLU A OE2 1 ATOM 1459 N N . ASP A 1 195 ? 9.343 -16.637 5.159 1.00 23.92 ? 536 ASP A N 1 ATOM 1460 C CA . ASP A 1 195 ? 7.968 -17.038 5.384 1.00 24.49 ? 536 ASP A CA 1 ATOM 1461 C C . ASP A 1 195 ? 7.711 -17.604 6.769 1.00 22.73 ? 536 ASP A C 1 ATOM 1462 O O . ASP A 1 195 ? 6.940 -18.526 6.906 1.00 22.08 ? 536 ASP A O 1 ATOM 1463 C CB . ASP A 1 195 ? 7.504 -18.029 4.298 1.00 24.77 ? 536 ASP A CB 1 ATOM 1464 C CG . ASP A 1 195 ? 7.340 -17.337 2.935 1.00 30.11 ? 536 ASP A CG 1 ATOM 1465 O OD1 . ASP A 1 195 ? 6.734 -16.233 2.877 1.00 32.75 ? 536 ASP A OD1 1 ATOM 1466 O OD2 . ASP A 1 195 ? 7.845 -17.791 1.884 1.00 35.60 ? 536 ASP A OD2 1 ATOM 1467 N N . VAL A 1 196 ? 8.369 -17.075 7.790 1.00 21.32 ? 537 VAL A N 1 ATOM 1468 C CA . VAL A 1 196 ? 8.103 -17.540 9.148 1.00 20.15 ? 537 VAL A CA 1 ATOM 1469 C C . VAL A 1 196 ? 6.935 -16.707 9.647 1.00 20.21 ? 537 VAL A C 1 ATOM 1470 O O . VAL A 1 196 ? 6.043 -17.197 10.316 1.00 19.31 ? 537 VAL A O 1 ATOM 1471 C CB . VAL A 1 196 ? 9.338 -17.389 10.085 1.00 20.37 ? 537 VAL A CB 1 ATOM 1472 C CG1 . VAL A 1 196 ? 8.977 -17.665 11.486 1.00 18.69 ? 537 VAL A CG1 1 ATOM 1473 C CG2 . VAL A 1 196 ? 10.393 -18.349 9.666 1.00 19.49 ? 537 VAL A CG2 1 ATOM 1474 N N . GLY A 1 197 ? 6.913 -15.429 9.310 1.00 19.43 ? 538 GLY A N 1 ATOM 1475 C CA . GLY A 1 197 ? 5.735 -14.670 9.708 1.00 19.33 ? 538 GLY A CA 1 ATOM 1476 C C . GLY A 1 197 ? 5.002 -14.145 8.494 1.00 18.91 ? 538 GLY A C 1 ATOM 1477 O O . GLY A 1 197 ? 5.560 -14.190 7.393 1.00 19.04 ? 538 GLY A O 1 ATOM 1478 N N . ASP A 1 198 ? 3.786 -13.620 8.678 1.00 18.76 ? 539 ASP A N 1 ATOM 1479 C CA . ASP A 1 198 ? 3.041 -12.973 7.573 1.00 18.74 ? 539 ASP A CA 1 ATOM 1480 C C . ASP A 1 198 ? 3.345 -11.499 7.351 1.00 19.53 ? 539 ASP A C 1 ATOM 1481 O O . ASP A 1 198 ? 3.151 -10.992 6.240 1.00 19.28 ? 539 ASP A O 1 ATOM 1482 C CB . ASP A 1 198 ? 1.546 -13.109 7.787 1.00 19.63 ? 539 ASP A CB 1 ATOM 1483 C CG . ASP A 1 198 ? 1.127 -14.559 7.939 1.00 20.70 ? 539 ASP A CG 1 ATOM 1484 O OD1 . ASP A 1 198 ? 1.288 -15.325 6.949 1.00 20.73 ? 539 ASP A OD1 1 ATOM 1485 O OD2 . ASP A 1 198 ? 0.667 -14.998 9.005 1.00 19.24 ? 539 ASP A OD2 1 ATOM 1486 N N . VAL A 1 199 ? 3.815 -10.807 8.392 1.00 20.36 ? 540 VAL A N 1 ATOM 1487 C CA . VAL A 1 199 ? 4.145 -9.391 8.309 1.00 20.33 ? 540 VAL A CA 1 ATOM 1488 C C . VAL A 1 199 ? 5.341 -9.050 9.183 1.00 20.05 ? 540 VAL A C 1 ATOM 1489 O O . VAL A 1 199 ? 5.525 -9.649 10.246 1.00 21.78 ? 540 VAL A O 1 ATOM 1490 C CB . VAL A 1 199 ? 2.955 -8.526 8.734 1.00 21.19 ? 540 VAL A CB 1 ATOM 1491 C CG1 . VAL A 1 199 ? 2.614 -8.792 10.249 1.00 22.32 ? 540 VAL A CG1 1 ATOM 1492 C CG2 . VAL A 1 199 ? 3.227 -7.045 8.392 1.00 20.04 ? 540 VAL A CG2 1 ATOM 1493 N N . ALA A 1 200 ? 6.155 -8.094 8.713 1.00 19.11 ? 541 ALA A N 1 ATOM 1494 C CA . ALA A 1 200 ? 7.334 -7.610 9.407 1.00 18.01 ? 541 ALA A CA 1 ATOM 1495 C C . ALA A 1 200 ? 7.223 -6.089 9.588 1.00 16.73 ? 541 ALA A C 1 ATOM 1496 O O . ALA A 1 200 ? 6.910 -5.389 8.654 1.00 15.90 ? 541 ALA A O 1 ATOM 1497 C CB . ALA A 1 200 ? 8.626 -7.943 8.625 1.00 18.68 ? 541 ALA A CB 1 ATOM 1498 N N . PHE A 1 201 ? 7.511 -5.616 10.794 1.00 15.02 ? 542 PHE A N 1 ATOM 1499 C CA . PHE A 1 201 ? 7.432 -4.198 11.131 1.00 15.38 ? 542 PHE A CA 1 ATOM 1500 C C . PHE A 1 201 ? 8.845 -3.697 11.229 1.00 15.12 ? 542 PHE A C 1 ATOM 1501 O O . PHE A 1 201 ? 9.564 -3.999 12.184 1.00 15.56 ? 542 PHE A O 1 ATOM 1502 C CB . PHE A 1 201 ? 6.697 -3.991 12.476 1.00 14.45 ? 542 PHE A CB 1 ATOM 1503 C CG . PHE A 1 201 ? 5.256 -4.432 12.434 1.00 15.68 ? 542 PHE A CG 1 ATOM 1504 C CD1 . PHE A 1 201 ? 4.316 -3.667 11.781 1.00 16.50 ? 542 PHE A CD1 1 ATOM 1505 C CD2 . PHE A 1 201 ? 4.856 -5.606 13.030 1.00 17.25 ? 542 PHE A CD2 1 ATOM 1506 C CE1 . PHE A 1 201 ? 3.014 -4.054 11.715 1.00 20.18 ? 542 PHE A CE1 1 ATOM 1507 C CE2 . PHE A 1 201 ? 3.533 -6.036 12.949 1.00 18.77 ? 542 PHE A CE2 1 ATOM 1508 C CZ . PHE A 1 201 ? 2.604 -5.248 12.297 1.00 20.21 ? 542 PHE A CZ 1 ATOM 1509 N N . VAL A 1 202 ? 9.282 -3.046 10.164 1.00 14.68 ? 543 VAL A N 1 ATOM 1510 C CA . VAL A 1 202 ? 10.616 -2.524 10.131 1.00 14.96 ? 543 VAL A CA 1 ATOM 1511 C C . VAL A 1 202 ? 10.525 -1.094 9.609 1.00 15.15 ? 543 VAL A C 1 ATOM 1512 O O . VAL A 1 202 ? 9.512 -0.421 9.757 1.00 15.62 ? 543 VAL A O 1 ATOM 1513 C CB . VAL A 1 202 ? 11.430 -3.380 9.199 1.00 14.47 ? 543 VAL A CB 1 ATOM 1514 C CG1 . VAL A 1 202 ? 11.598 -4.808 9.780 1.00 17.01 ? 543 VAL A CG1 1 ATOM 1515 C CG2 . VAL A 1 202 ? 10.743 -3.465 7.897 1.00 13.31 ? 543 VAL A CG2 1 ATOM 1516 N N . LYS A 1 203 ? 11.543 -0.661 8.917 1.00 16.62 ? 544 LYS A N 1 ATOM 1517 C CA . LYS A 1 203 ? 11.550 0.679 8.394 1.00 18.30 ? 544 LYS A CA 1 ATOM 1518 C C . LYS A 1 203 ? 11.725 0.576 6.867 1.00 18.96 ? 544 LYS A C 1 ATOM 1519 O O . LYS A 1 203 ? 12.147 -0.487 6.337 1.00 18.46 ? 544 LYS A O 1 ATOM 1520 C CB . LYS A 1 203 ? 12.650 1.489 9.117 1.00 17.54 ? 544 LYS A CB 1 ATOM 1521 C CG . LYS A 1 203 ? 14.133 0.948 8.849 1.00 18.73 ? 544 LYS A CG 1 ATOM 1522 C CD . LYS A 1 203 ? 15.209 2.023 9.163 1.00 16.55 ? 544 LYS A CD 1 ATOM 1523 C CE . LYS A 1 203 ? 16.576 1.365 9.272 1.00 12.26 ? 544 LYS A CE 1 ATOM 1524 N NZ . LYS A 1 203 ? 17.588 2.316 9.669 1.00 15.50 ? 544 LYS A NZ 1 ATOM 1525 N N . ASN A 1 204 ? 11.393 1.637 6.136 1.00 19.34 ? 545 ASN A N 1 ATOM 1526 C CA . ASN A 1 204 ? 11.503 1.564 4.674 1.00 21.32 ? 545 ASN A CA 1 ATOM 1527 C C . ASN A 1 204 ? 12.865 1.120 4.168 1.00 21.69 ? 545 ASN A C 1 ATOM 1528 O O . ASN A 1 204 ? 12.973 0.335 3.215 1.00 22.71 ? 545 ASN A O 1 ATOM 1529 C CB . ASN A 1 204 ? 11.187 2.932 4.005 1.00 21.97 ? 545 ASN A CB 1 ATOM 1530 C CG . ASN A 1 204 ? 11.847 3.065 2.627 1.00 23.84 ? 545 ASN A CG 1 ATOM 1531 O OD1 . ASN A 1 204 ? 11.554 2.298 1.693 1.00 20.78 ? 545 ASN A OD1 1 ATOM 1532 N ND2 . ASN A 1 204 ? 12.767 4.030 2.508 1.00 25.59 ? 545 ASN A ND2 1 ATOM 1533 N N . ASP A 1 205 ? 13.915 1.649 4.754 1.00 20.88 ? 546 ASP A N 1 ATOM 1534 C CA . ASP A 1 205 ? 15.234 1.334 4.200 1.00 22.33 ? 546 ASP A CA 1 ATOM 1535 C C . ASP A 1 205 ? 15.577 -0.148 4.222 1.00 21.95 ? 546 ASP A C 1 ATOM 1536 O O . ASP A 1 205 ? 16.335 -0.630 3.362 1.00 22.15 ? 546 ASP A O 1 ATOM 1537 C CB . ASP A 1 205 ? 16.282 2.091 4.966 1.00 22.52 ? 546 ASP A CB 1 ATOM 1538 C CG . ASP A 1 205 ? 15.953 3.523 5.049 1.00 25.05 ? 546 ASP A CG 1 ATOM 1539 O OD1 . ASP A 1 205 ? 15.135 3.898 5.902 1.00 28.84 ? 546 ASP A OD1 1 ATOM 1540 O OD2 . ASP A 1 205 ? 16.421 4.340 4.233 1.00 29.84 ? 546 ASP A OD2 1 ATOM 1541 N N . THR A 1 206 ? 15.048 -0.861 5.203 1.00 20.61 ? 547 THR A N 1 ATOM 1542 C CA . THR A 1 206 ? 15.379 -2.274 5.341 1.00 20.61 ? 547 THR A CA 1 ATOM 1543 C C . THR A 1 206 ? 15.018 -3.120 4.132 1.00 20.19 ? 547 THR A C 1 ATOM 1544 O O . THR A 1 206 ? 15.761 -4.023 3.764 1.00 19.15 ? 547 THR A O 1 ATOM 1545 C CB . THR A 1 206 ? 14.680 -2.866 6.548 1.00 19.95 ? 547 THR A CB 1 ATOM 1546 O OG1 . THR A 1 206 ? 14.991 -2.074 7.682 1.00 19.45 ? 547 THR A OG1 1 ATOM 1547 C CG2 . THR A 1 206 ? 15.277 -4.230 6.881 1.00 19.33 ? 547 THR A CG2 1 ATOM 1548 N N . VAL A 1 207 ? 13.835 -2.872 3.597 1.00 21.43 ? 548 VAL A N 1 ATOM 1549 C CA . VAL A 1 207 ? 13.331 -3.565 2.428 1.00 22.34 ? 548 VAL A CA 1 ATOM 1550 C C . VAL A 1 207 ? 14.311 -3.281 1.295 1.00 23.66 ? 548 VAL A C 1 ATOM 1551 O O . VAL A 1 207 ? 14.726 -4.165 0.607 1.00 22.46 ? 548 VAL A O 1 ATOM 1552 C CB . VAL A 1 207 ? 11.943 -2.987 2.037 1.00 22.76 ? 548 VAL A CB 1 ATOM 1553 C CG1 . VAL A 1 207 ? 11.426 -3.641 0.757 1.00 22.49 ? 548 VAL A CG1 1 ATOM 1554 C CG2 . VAL A 1 207 ? 10.925 -3.153 3.193 1.00 22.93 ? 548 VAL A CG2 1 ATOM 1555 N N . TRP A 1 208 ? 14.707 -2.022 1.114 1.00 25.06 ? 549 TRP A N 1 ATOM 1556 C CA . TRP A 1 208 ? 15.600 -1.687 0.002 1.00 26.98 ? 549 TRP A CA 1 ATOM 1557 C C . TRP A 1 208 ? 17.004 -2.259 0.084 1.00 27.99 ? 549 TRP A C 1 ATOM 1558 O O . TRP A 1 208 ? 17.582 -2.621 -0.954 1.00 29.30 ? 549 TRP A O 1 ATOM 1559 C CB . TRP A 1 208 ? 15.682 -0.148 -0.189 1.00 26.38 ? 549 TRP A CB 1 ATOM 1560 C CG . TRP A 1 208 ? 14.421 0.399 -0.736 1.00 27.17 ? 549 TRP A CG 1 ATOM 1561 C CD1 . TRP A 1 208 ? 13.267 0.639 -0.050 1.00 27.19 ? 549 TRP A CD1 1 ATOM 1562 C CD2 . TRP A 1 208 ? 14.151 0.739 -2.103 1.00 29.34 ? 549 TRP A CD2 1 ATOM 1563 N NE1 . TRP A 1 208 ? 12.301 1.122 -0.899 1.00 28.54 ? 549 TRP A NE1 1 ATOM 1564 C CE2 . TRP A 1 208 ? 12.820 1.196 -2.165 1.00 30.44 ? 549 TRP A CE2 1 ATOM 1565 C CE3 . TRP A 1 208 ? 14.914 0.731 -3.281 1.00 30.25 ? 549 TRP A CE3 1 ATOM 1566 C CZ2 . TRP A 1 208 ? 12.224 1.605 -3.359 1.00 31.04 ? 549 TRP A CZ2 1 ATOM 1567 C CZ3 . TRP A 1 208 ? 14.333 1.156 -4.463 1.00 30.04 ? 549 TRP A CZ3 1 ATOM 1568 C CH2 . TRP A 1 208 ? 13.001 1.587 -4.495 1.00 30.39 ? 549 TRP A CH2 1 ATOM 1569 N N . GLU A 1 209 ? 17.545 -2.347 1.301 1.00 28.35 ? 550 GLU A N 1 ATOM 1570 C CA . GLU A 1 209 ? 18.918 -2.797 1.545 1.00 28.79 ? 550 GLU A CA 1 ATOM 1571 C C . GLU A 1 209 ? 19.086 -4.301 1.513 1.00 29.04 ? 550 GLU A C 1 ATOM 1572 O O . GLU A 1 209 ? 20.203 -4.831 1.565 1.00 29.64 ? 550 GLU A O 1 ATOM 1573 C CB . GLU A 1 209 ? 19.382 -2.293 2.900 1.00 29.24 ? 550 GLU A CB 1 ATOM 1574 C CG . GLU A 1 209 ? 19.670 -0.803 2.886 1.00 32.71 ? 550 GLU A CG 1 ATOM 1575 C CD . GLU A 1 209 ? 19.756 -0.214 4.284 1.00 36.94 ? 550 GLU A CD 1 ATOM 1576 O OE1 . GLU A 1 209 ? 20.110 -0.946 5.235 1.00 37.80 ? 550 GLU A OE1 1 ATOM 1577 O OE2 . GLU A 1 209 ? 19.450 0.987 4.415 1.00 39.90 ? 550 GLU A OE2 1 ATOM 1578 N N . ASN A 1 210 ? 17.971 -5.001 1.444 1.00 28.27 ? 551 ASN A N 1 ATOM 1579 C CA . ASN A 1 210 ? 18.062 -6.455 1.429 1.00 29.34 ? 551 ASN A CA 1 ATOM 1580 C C . ASN A 1 210 ? 17.410 -7.151 0.232 1.00 28.94 ? 551 ASN A C 1 ATOM 1581 O O . ASN A 1 210 ? 17.135 -8.345 0.274 1.00 28.39 ? 551 ASN A O 1 ATOM 1582 C CB . ASN A 1 210 ? 17.561 -7.057 2.753 1.00 28.54 ? 551 ASN A CB 1 ATOM 1583 C CG . ASN A 1 210 ? 18.423 -6.648 3.929 1.00 30.04 ? 551 ASN A CG 1 ATOM 1584 O OD1 . ASN A 1 210 ? 19.538 -7.144 4.088 1.00 33.28 ? 551 ASN A OD1 1 ATOM 1585 N ND2 . ASN A 1 210 ? 17.923 -5.736 4.753 1.00 27.20 ? 551 ASN A ND2 1 ATOM 1586 N N . THR A 1 211 ? 17.163 -6.383 -0.828 1.00 29.38 ? 552 THR A N 1 ATOM 1587 C CA . THR A 1 211 ? 16.560 -6.905 -2.057 1.00 29.59 ? 552 THR A CA 1 ATOM 1588 C C . THR A 1 211 ? 17.384 -6.499 -3.300 1.00 30.50 ? 552 THR A C 1 ATOM 1589 O O . THR A 1 211 ? 18.312 -5.685 -3.210 1.00 29.79 ? 552 THR A O 1 ATOM 1590 C CB . THR A 1 211 ? 15.147 -6.383 -2.196 1.00 29.82 ? 552 THR A CB 1 ATOM 1591 O OG1 . THR A 1 211 ? 15.179 -4.955 -2.056 1.00 28.72 ? 552 THR A OG1 1 ATOM 1592 C CG2 . THR A 1 211 ? 14.242 -6.857 -1.017 1.00 28.61 ? 552 THR A CG2 1 ATOM 1593 N N . ASN A 1 212 ? 17.054 -7.107 -4.438 1.00 31.77 ? 553 ASN A N 1 ATOM 1594 C CA . ASN A 1 212 ? 17.659 -6.795 -5.742 1.00 33.07 ? 553 ASN A CA 1 ATOM 1595 C C . ASN A 1 212 ? 19.186 -6.768 -5.748 1.00 33.55 ? 553 ASN A C 1 ATOM 1596 O O . ASN A 1 212 ? 19.791 -5.898 -6.369 1.00 33.19 ? 553 ASN A O 1 ATOM 1597 C CB . ASN A 1 212 ? 17.105 -5.468 -6.293 1.00 33.14 ? 553 ASN A CB 1 ATOM 1598 C CG . ASN A 1 212 ? 15.635 -5.565 -6.706 1.00 35.19 ? 553 ASN A CG 1 ATOM 1599 O OD1 . ASN A 1 212 ? 14.807 -6.197 -6.035 1.00 37.83 ? 553 ASN A OD1 1 ATOM 1600 N ND2 . ASN A 1 212 ? 15.302 -4.924 -7.822 1.00 38.67 ? 553 ASN A ND2 1 ATOM 1601 N N . GLY A 1 213 ? 19.794 -7.710 -5.030 1.00 34.46 ? 554 GLY A N 1 ATOM 1602 C CA . GLY A 1 213 ? 21.243 -7.822 -4.943 1.00 35.33 ? 554 GLY A CA 1 ATOM 1603 C C . GLY A 1 213 ? 21.995 -6.891 -3.990 1.00 35.93 ? 554 GLY A C 1 ATOM 1604 O O . GLY A 1 213 ? 23.214 -6.818 -4.046 1.00 35.74 ? 554 GLY A O 1 ATOM 1605 N N . GLU A 1 214 ? 21.300 -6.199 -3.096 1.00 36.28 ? 555 GLU A N 1 ATOM 1606 C CA . GLU A 1 214 ? 21.995 -5.285 -2.191 1.00 36.35 ? 555 GLU A CA 1 ATOM 1607 C C . GLU A 1 214 ? 22.684 -5.983 -1.012 1.00 36.71 ? 555 GLU A C 1 ATOM 1608 O O . GLU A 1 214 ? 23.563 -5.397 -0.387 1.00 36.22 ? 555 GLU A O 1 ATOM 1609 C CB . GLU A 1 214 ? 21.036 -4.212 -1.650 1.00 36.05 ? 555 GLU A CB 1 ATOM 1610 C CG . GLU A 1 214 ? 20.590 -3.177 -2.647 1.00 36.14 ? 555 GLU A CG 1 ATOM 1611 C CD . GLU A 1 214 ? 21.729 -2.273 -3.039 1.00 39.80 ? 555 GLU A CD 1 ATOM 1612 O OE1 . GLU A 1 214 ? 22.249 -1.518 -2.188 1.00 36.90 ? 555 GLU A OE1 1 ATOM 1613 O OE2 . GLU A 1 214 ? 22.114 -2.343 -4.217 1.00 43.76 ? 555 GLU A OE2 1 ATOM 1614 N N . SER A 1 215 ? 22.322 -7.234 -0.720 1.00 37.52 ? 556 SER A N 1 ATOM 1615 C CA . SER A 1 215 ? 22.876 -7.919 0.468 1.00 38.50 ? 556 SER A CA 1 ATOM 1616 C C . SER A 1 215 ? 23.831 -9.140 0.292 1.00 39.90 ? 556 SER A C 1 ATOM 1617 O O . SER A 1 215 ? 24.609 -9.477 1.192 1.00 41.39 ? 556 SER A O 1 ATOM 1618 C CB . SER A 1 215 ? 21.735 -8.285 1.427 1.00 36.99 ? 556 SER A CB 1 ATOM 1619 O OG . SER A 1 215 ? 22.138 -9.278 2.352 1.00 37.58 ? 556 SER A OG 1 ATOM 1620 N N . THR A 1 216 ? 23.784 -9.813 -0.841 1.00 40.59 ? 557 THR A N 1 ATOM 1621 C CA . THR A 1 216 ? 24.672 -10.971 -1.029 1.00 41.31 ? 557 THR A CA 1 ATOM 1622 C C . THR A 1 216 ? 24.408 -12.063 0.006 1.00 40.96 ? 557 THR A C 1 ATOM 1623 O O . THR A 1 216 ? 24.787 -13.218 -0.202 1.00 40.53 ? 557 THR A O 1 ATOM 1624 C CB . THR A 1 216 ? 26.165 -10.592 -0.924 1.00 41.69 ? 557 THR A CB 1 ATOM 1625 O OG1 . THR A 1 216 ? 26.574 -10.696 0.448 1.00 44.50 ? 557 THR A OG1 1 ATOM 1626 C CG2 . THR A 1 216 ? 26.411 -9.129 -1.266 1.00 41.23 ? 557 THR A CG2 1 ATOM 1627 N N . ALA A 1 217 ? 23.780 -11.692 1.124 1.00 40.16 ? 558 ALA A N 1 ATOM 1628 C CA . ALA A 1 217 ? 23.447 -12.639 2.175 1.00 39.61 ? 558 ALA A CA 1 ATOM 1629 C C . ALA A 1 217 ? 22.650 -13.766 1.556 1.00 39.35 ? 558 ALA A C 1 ATOM 1630 O O . ALA A 1 217 ? 21.750 -13.535 0.744 1.00 39.27 ? 558 ALA A O 1 ATOM 1631 C CB . ALA A 1 217 ? 22.651 -11.966 3.304 1.00 39.65 ? 558 ALA A CB 1 ATOM 1632 N N . ASP A 1 218 ? 23.013 -14.989 1.936 1.00 38.88 ? 559 ASP A N 1 ATOM 1633 C CA . ASP A 1 218 ? 22.380 -16.208 1.451 1.00 38.64 ? 559 ASP A CA 1 ATOM 1634 C C . ASP A 1 218 ? 20.852 -16.182 1.439 1.00 37.04 ? 559 ASP A C 1 ATOM 1635 O O . ASP A 1 218 ? 20.222 -16.642 0.475 1.00 36.40 ? 559 ASP A O 1 ATOM 1636 C CB . ASP A 1 218 ? 22.869 -17.415 2.284 1.00 39.62 ? 559 ASP A CB 1 ATOM 1637 C CG . ASP A 1 218 ? 23.238 -17.017 3.706 1.00 43.29 ? 559 ASP A CG 1 ATOM 1638 O OD1 . ASP A 1 218 ? 24.358 -16.454 3.885 1.00 46.43 ? 559 ASP A OD1 1 ATOM 1639 O OD2 . ASP A 1 218 ? 22.454 -17.173 4.690 1.00 46.97 ? 559 ASP A OD2 1 ATOM 1640 N N . TRP A 1 219 ? 20.252 -15.677 2.513 1.00 35.44 ? 560 TRP A N 1 ATOM 1641 C CA . TRP A 1 219 ? 18.798 -15.697 2.617 1.00 33.76 ? 560 TRP A CA 1 ATOM 1642 C C . TRP A 1 219 ? 18.180 -14.584 1.788 1.00 33.41 ? 560 TRP A C 1 ATOM 1643 O O . TRP A 1 219 ? 16.982 -14.602 1.516 1.00 33.96 ? 560 TRP A O 1 ATOM 1644 C CB . TRP A 1 219 ? 18.349 -15.581 4.079 1.00 32.84 ? 560 TRP A CB 1 ATOM 1645 C CG . TRP A 1 219 ? 18.833 -14.355 4.726 1.00 29.67 ? 560 TRP A CG 1 ATOM 1646 C CD1 . TRP A 1 219 ? 20.000 -14.185 5.373 1.00 29.51 ? 560 TRP A CD1 1 ATOM 1647 C CD2 . TRP A 1 219 ? 18.169 -13.104 4.752 1.00 29.59 ? 560 TRP A CD2 1 ATOM 1648 N NE1 . TRP A 1 219 ? 20.111 -12.895 5.840 1.00 31.02 ? 560 TRP A NE1 1 ATOM 1649 C CE2 . TRP A 1 219 ? 18.984 -12.210 5.473 1.00 30.42 ? 560 TRP A CE2 1 ATOM 1650 C CE3 . TRP A 1 219 ? 16.950 -12.644 4.246 1.00 30.56 ? 560 TRP A CE3 1 ATOM 1651 C CZ2 . TRP A 1 219 ? 18.627 -10.886 5.700 1.00 30.68 ? 560 TRP A CZ2 1 ATOM 1652 C CZ3 . TRP A 1 219 ? 16.593 -11.328 4.464 1.00 32.00 ? 560 TRP A CZ3 1 ATOM 1653 C CH2 . TRP A 1 219 ? 17.430 -10.460 5.186 1.00 32.16 ? 560 TRP A CH2 1 ATOM 1654 N N . ALA A 1 220 ? 19.002 -13.633 1.365 1.00 32.80 ? 561 ALA A N 1 ATOM 1655 C CA . ALA A 1 220 ? 18.481 -12.493 0.630 1.00 33.88 ? 561 ALA A CA 1 ATOM 1656 C C . ALA A 1 220 ? 19.021 -12.306 -0.783 1.00 34.62 ? 561 ALA A C 1 ATOM 1657 O O . ALA A 1 220 ? 18.623 -11.355 -1.472 1.00 34.43 ? 561 ALA A O 1 ATOM 1658 C CB . ALA A 1 220 ? 18.684 -11.205 1.434 1.00 33.69 ? 561 ALA A CB 1 ATOM 1659 N N . LYS A 1 221 ? 19.917 -13.202 -1.207 1.00 35.24 ? 562 LYS A N 1 ATOM 1660 C CA . LYS A 1 221 ? 20.499 -13.178 -2.553 1.00 35.32 ? 562 LYS A CA 1 ATOM 1661 C C . LYS A 1 221 ? 19.434 -13.058 -3.607 1.00 34.22 ? 562 LYS A C 1 ATOM 1662 O O . LYS A 1 221 ? 19.570 -12.289 -4.533 1.00 34.74 ? 562 LYS A O 1 ATOM 1663 C CB . LYS A 1 221 ? 21.262 -14.492 -2.833 1.00 35.41 ? 562 LYS A CB 1 ATOM 1664 C CG . LYS A 1 221 ? 22.456 -14.703 -1.974 1.00 38.15 ? 562 LYS A CG 1 ATOM 1665 C CD . LYS A 1 221 ? 23.482 -15.603 -2.652 1.00 42.26 ? 562 LYS A CD 1 ATOM 1666 C CE . LYS A 1 221 ? 22.857 -16.871 -3.212 1.00 43.14 ? 562 LYS A CE 1 ATOM 1667 N NZ . LYS A 1 221 ? 23.153 -18.069 -2.383 1.00 43.26 ? 562 LYS A NZ 1 ATOM 1668 N N . ASN A 1 222 ? 18.371 -13.833 -3.464 1.00 34.12 ? 563 ASN A N 1 ATOM 1669 C CA . ASN A 1 222 ? 17.333 -13.880 -4.476 1.00 33.68 ? 563 ASN A CA 1 ATOM 1670 C C . ASN A 1 222 ? 16.062 -13.109 -4.194 1.00 33.66 ? 563 ASN A C 1 ATOM 1671 O O . ASN A 1 222 ? 15.036 -13.373 -4.835 1.00 33.98 ? 563 ASN A O 1 ATOM 1672 C CB . ASN A 1 222 ? 16.956 -15.322 -4.737 1.00 34.66 ? 563 ASN A CB 1 ATOM 1673 C CG . ASN A 1 222 ? 18.040 -16.062 -5.496 1.00 38.20 ? 563 ASN A CG 1 ATOM 1674 O OD1 . ASN A 1 222 ? 18.454 -15.637 -6.593 1.00 39.27 ? 563 ASN A OD1 1 ATOM 1675 N ND2 . ASN A 1 222 ? 18.543 -17.137 -4.900 1.00 37.72 ? 563 ASN A ND2 1 ATOM 1676 N N . LEU A 1 223 ? 16.106 -12.162 -3.257 1.00 32.44 ? 564 LEU A N 1 ATOM 1677 C CA . LEU A 1 223 ? 14.911 -11.405 -2.922 1.00 31.52 ? 564 LEU A CA 1 ATOM 1678 C C . LEU A 1 223 ? 14.710 -10.237 -3.892 1.00 31.59 ? 564 LEU A C 1 ATOM 1679 O O . LEU A 1 223 ? 15.637 -9.462 -4.150 1.00 31.69 ? 564 LEU A O 1 ATOM 1680 C CB . LEU A 1 223 ? 14.956 -10.894 -1.476 1.00 30.94 ? 564 LEU A CB 1 ATOM 1681 C CG . LEU A 1 223 ? 15.074 -11.933 -0.353 1.00 30.49 ? 564 LEU A CG 1 ATOM 1682 C CD1 . LEU A 1 223 ? 15.024 -11.217 1.005 1.00 27.06 ? 564 LEU A CD1 1 ATOM 1683 C CD2 . LEU A 1 223 ? 13.992 -12.972 -0.458 1.00 26.91 ? 564 LEU A CD2 1 ATOM 1684 N N . LYS A 1 224 ? 13.489 -10.105 -4.404 1.00 30.91 ? 565 LYS A N 1 ATOM 1685 C CA . LYS A 1 224 ? 13.155 -9.032 -5.339 1.00 31.29 ? 565 LYS A CA 1 ATOM 1686 C C . LYS A 1 224 ? 12.129 -8.125 -4.699 1.00 31.09 ? 565 LYS A C 1 ATOM 1687 O O . LYS A 1 224 ? 11.097 -8.612 -4.230 1.00 30.50 ? 565 LYS A O 1 ATOM 1688 C CB . LYS A 1 224 ? 12.570 -9.623 -6.624 1.00 31.01 ? 565 LYS A CB 1 ATOM 1689 C CG . LYS A 1 224 ? 12.507 -8.695 -7.842 1.00 33.19 ? 565 LYS A CG 1 ATOM 1690 C CD . LYS A 1 224 ? 11.837 -7.293 -7.593 1.00 35.53 ? 565 LYS A CD 1 ATOM 1691 C CE . LYS A 1 224 ? 12.000 -6.364 -8.795 1.00 35.48 ? 565 LYS A CE 1 ATOM 1692 N NZ . LYS A 1 224 ? 11.945 -4.908 -8.486 1.00 39.56 ? 565 LYS A NZ 1 ATOM 1693 N N . ARG A 1 225 ? 12.397 -6.816 -4.699 1.00 31.29 ? 566 ARG A N 1 ATOM 1694 C CA . ARG A 1 225 ? 11.456 -5.823 -4.163 1.00 32.07 ? 566 ARG A CA 1 ATOM 1695 C C . ARG A 1 225 ? 10.012 -6.014 -4.618 1.00 32.32 ? 566 ARG A C 1 ATOM 1696 O O . ARG A 1 225 ? 9.074 -5.797 -3.844 1.00 31.23 ? 566 ARG A O 1 ATOM 1697 C CB . ARG A 1 225 ? 11.870 -4.406 -4.576 1.00 32.53 ? 566 ARG A CB 1 ATOM 1698 C CG . ARG A 1 225 ? 13.287 -4.094 -4.258 1.00 35.04 ? 566 ARG A CG 1 ATOM 1699 C CD . ARG A 1 225 ? 13.694 -2.654 -4.495 1.00 33.71 ? 566 ARG A CD 1 ATOM 1700 N NE . ARG A 1 225 ? 15.009 -2.501 -3.908 1.00 35.63 ? 566 ARG A NE 1 ATOM 1701 C CZ . ARG A 1 225 ? 16.088 -2.080 -4.547 1.00 37.64 ? 566 ARG A CZ 1 ATOM 1702 N NH1 . ARG A 1 225 ? 16.026 -1.752 -5.838 1.00 35.86 ? 566 ARG A NH1 1 ATOM 1703 N NH2 . ARG A 1 225 ? 17.244 -2.002 -3.885 1.00 36.98 ? 566 ARG A NH2 1 ATOM 1704 N N . GLU A 1 226 ? 9.821 -6.383 -5.884 1.00 32.45 ? 567 GLU A N 1 ATOM 1705 C CA . GLU A 1 226 ? 8.452 -6.566 -6.414 1.00 32.97 ? 567 GLU A CA 1 ATOM 1706 C C . GLU A 1 226 ? 7.676 -7.699 -5.715 1.00 31.25 ? 567 GLU A C 1 ATOM 1707 O O . GLU A 1 226 ? 6.452 -7.800 -5.836 1.00 31.62 ? 567 GLU A O 1 ATOM 1708 C CB . GLU A 1 226 ? 8.474 -6.817 -7.920 1.00 33.41 ? 567 GLU A CB 1 ATOM 1709 C CG . GLU A 1 226 ? 7.571 -5.862 -8.712 1.00 39.46 ? 567 GLU A CG 1 ATOM 1710 C CD . GLU A 1 226 ? 6.148 -5.765 -8.176 1.00 44.72 ? 567 GLU A CD 1 ATOM 1711 O OE1 . GLU A 1 226 ? 5.336 -6.713 -8.400 1.00 47.44 ? 567 GLU A OE1 1 ATOM 1712 O OE2 . GLU A 1 226 ? 5.824 -4.721 -7.561 1.00 47.04 ? 567 GLU A OE2 1 ATOM 1713 N N . ASP A 1 227 ? 8.376 -8.548 -4.981 1.00 29.70 ? 568 ASP A N 1 ATOM 1714 C CA . ASP A 1 227 ? 7.698 -9.639 -4.310 1.00 28.63 ? 568 ASP A CA 1 ATOM 1715 C C . ASP A 1 227 ? 7.123 -9.184 -2.970 1.00 27.31 ? 568 ASP A C 1 ATOM 1716 O O . ASP A 1 227 ? 6.570 -9.990 -2.248 1.00 26.59 ? 568 ASP A O 1 ATOM 1717 C CB . ASP A 1 227 ? 8.619 -10.841 -4.129 1.00 28.00 ? 568 ASP A CB 1 ATOM 1718 C CG . ASP A 1 227 ? 9.032 -11.498 -5.484 1.00 31.42 ? 568 ASP A CG 1 ATOM 1719 O OD1 . ASP A 1 227 ? 8.277 -11.463 -6.484 1.00 29.61 ? 568 ASP A OD1 1 ATOM 1720 O OD2 . ASP A 1 227 ? 10.130 -12.078 -5.640 1.00 36.53 ? 568 ASP A OD2 1 ATOM 1721 N N . PHE A 1 228 ? 7.224 -7.887 -2.670 1.00 26.02 ? 569 PHE A N 1 ATOM 1722 C CA . PHE A 1 228 ? 6.776 -7.376 -1.396 1.00 25.27 ? 569 PHE A CA 1 ATOM 1723 C C . PHE A 1 228 ? 5.801 -6.222 -1.564 1.00 25.31 ? 569 PHE A C 1 ATOM 1724 O O . PHE A 1 228 ? 5.813 -5.545 -2.606 1.00 26.24 ? 569 PHE A O 1 ATOM 1725 C CB . PHE A 1 228 ? 7.998 -6.919 -0.566 1.00 24.68 ? 569 PHE A CB 1 ATOM 1726 C CG . PHE A 1 228 ? 8.933 -8.049 -0.184 1.00 23.96 ? 569 PHE A CG 1 ATOM 1727 C CD1 . PHE A 1 228 ? 8.731 -8.795 0.976 1.00 19.67 ? 569 PHE A CD1 1 ATOM 1728 C CD2 . PHE A 1 228 ? 10.004 -8.354 -0.981 1.00 22.83 ? 569 PHE A CD2 1 ATOM 1729 C CE1 . PHE A 1 228 ? 9.591 -9.805 1.332 1.00 22.42 ? 569 PHE A CE1 1 ATOM 1730 C CE2 . PHE A 1 228 ? 10.874 -9.395 -0.647 1.00 25.34 ? 569 PHE A CE2 1 ATOM 1731 C CZ . PHE A 1 228 ? 10.665 -10.125 0.521 1.00 25.43 ? 569 PHE A CZ 1 ATOM 1732 N N . ARG A 1 229 ? 4.995 -5.968 -0.528 1.00 23.71 ? 570 ARG A N 1 ATOM 1733 C CA . ARG A 1 229 ? 4.023 -4.894 -0.535 1.00 23.89 ? 570 ARG A CA 1 ATOM 1734 C C . ARG A 1 229 ? 3.926 -4.272 0.837 1.00 23.30 ? 570 ARG A C 1 ATOM 1735 O O . ARG A 1 229 ? 4.018 -4.974 1.851 1.00 22.72 ? 570 ARG A O 1 ATOM 1736 C CB . ARG A 1 229 ? 2.625 -5.410 -0.926 1.00 24.66 ? 570 ARG A CB 1 ATOM 1737 C CG . ARG A 1 229 ? 2.506 -5.863 -2.367 1.00 25.69 ? 570 ARG A CG 1 ATOM 1738 C CD . ARG A 1 229 ? 2.150 -4.737 -3.282 1.00 28.77 ? 570 ARG A CD 1 ATOM 1739 N NE . ARG A 1 229 ? 2.123 -5.116 -4.681 1.00 30.26 ? 570 ARG A NE 1 ATOM 1740 C CZ . ARG A 1 229 ? 3.189 -5.218 -5.465 1.00 34.24 ? 570 ARG A CZ 1 ATOM 1741 N NH1 . ARG A 1 229 ? 4.399 -5.018 -4.970 1.00 35.63 ? 570 ARG A NH1 1 ATOM 1742 N NH2 . ARG A 1 229 ? 3.043 -5.551 -6.754 1.00 35.06 ? 570 ARG A NH2 1 ATOM 1743 N N . LEU A 1 230 ? 3.739 -2.945 0.860 1.00 22.50 ? 571 LEU A N 1 ATOM 1744 C CA . LEU A 1 230 ? 3.557 -2.201 2.113 1.00 21.54 ? 571 LEU A CA 1 ATOM 1745 C C . LEU A 1 230 ? 2.078 -2.187 2.484 1.00 21.12 ? 571 LEU A C 1 ATOM 1746 O O . LEU A 1 230 ? 1.226 -2.013 1.612 1.00 20.71 ? 571 LEU A O 1 ATOM 1747 C CB . LEU A 1 230 ? 4.076 -0.760 1.986 1.00 20.22 ? 571 LEU A CB 1 ATOM 1748 C CG . LEU A 1 230 ? 5.553 -0.658 1.614 1.00 21.72 ? 571 LEU A CG 1 ATOM 1749 C CD1 . LEU A 1 230 ? 5.931 0.813 1.518 1.00 22.12 ? 571 LEU A CD1 1 ATOM 1750 C CD2 . LEU A 1 230 ? 6.438 -1.372 2.615 1.00 17.86 ? 571 LEU A CD2 1 ATOM 1751 N N . LEU A 1 231 ? 1.766 -2.323 3.771 1.00 21.14 ? 572 LEU A N 1 ATOM 1752 C CA . LEU A 1 231 ? 0.355 -2.279 4.191 1.00 22.23 ? 572 LEU A CA 1 ATOM 1753 C C . LEU A 1 231 ? 0.047 -0.877 4.671 1.00 22.86 ? 572 LEU A C 1 ATOM 1754 O O . LEU A 1 231 ? 0.724 -0.396 5.558 1.00 22.28 ? 572 LEU A O 1 ATOM 1755 C CB . LEU A 1 231 ? 0.077 -3.232 5.314 1.00 21.85 ? 572 LEU A CB 1 ATOM 1756 C CG . LEU A 1 231 ? 0.250 -4.744 5.133 1.00 23.57 ? 572 LEU A CG 1 ATOM 1757 C CD1 . LEU A 1 231 ? -0.330 -5.416 6.391 1.00 23.80 ? 572 LEU A CD1 1 ATOM 1758 C CD2 . LEU A 1 231 ? -0.507 -5.245 3.880 1.00 20.36 ? 572 LEU A CD2 1 ATOM 1759 N N . CYS A 1 232 ? -0.955 -0.215 4.082 1.00 23.83 ? 573 CYS A N 1 ATOM 1760 C CA . CYS A 1 232 ? -1.282 1.147 4.475 1.00 24.00 ? 573 CYS A CA 1 ATOM 1761 C C . CYS A 1 232 ? -2.376 1.185 5.510 1.00 25.57 ? 573 CYS A C 1 ATOM 1762 O O . CYS A 1 232 ? -3.172 0.236 5.672 1.00 25.96 ? 573 CYS A O 1 ATOM 1763 C CB . CYS A 1 232 ? -1.693 1.996 3.273 1.00 24.42 ? 573 CYS A CB 1 ATOM 1764 S SG . CYS A 1 232 ? -0.707 1.763 1.770 1.00 24.55 ? 573 CYS A SG 1 ATOM 1765 N N . LEU A 1 233 ? -2.457 2.313 6.199 1.00 25.93 ? 574 LEU A N 1 ATOM 1766 C CA . LEU A 1 233 ? -3.435 2.457 7.251 1.00 26.58 ? 574 LEU A CA 1 ATOM 1767 C C . LEU A 1 233 ? -4.878 2.516 6.716 1.00 27.52 ? 574 LEU A C 1 ATOM 1768 O O . LEU A 1 233 ? -5.804 2.145 7.426 1.00 27.90 ? 574 LEU A O 1 ATOM 1769 C CB . LEU A 1 233 ? -3.104 3.708 8.046 1.00 26.59 ? 574 LEU A CB 1 ATOM 1770 C CG . LEU A 1 233 ? -2.090 3.439 9.137 1.00 25.09 ? 574 LEU A CG 1 ATOM 1771 C CD1 . LEU A 1 233 ? -1.724 4.710 9.896 1.00 27.87 ? 574 LEU A CD1 1 ATOM 1772 C CD2 . LEU A 1 233 ? -2.674 2.407 10.094 1.00 29.12 ? 574 LEU A CD2 1 ATOM 1773 N N . ASP A 1 234 ? -5.061 2.933 5.460 1.00 27.58 ? 575 ASP A N 1 ATOM 1774 C CA . ASP A 1 234 ? -6.408 2.968 4.863 1.00 28.56 ? 575 ASP A CA 1 ATOM 1775 C C . ASP A 1 234 ? -6.923 1.650 4.270 1.00 28.65 ? 575 ASP A C 1 ATOM 1776 O O . ASP A 1 234 ? -7.929 1.671 3.569 1.00 28.91 ? 575 ASP A O 1 ATOM 1777 C CB . ASP A 1 234 ? -6.502 4.039 3.792 1.00 28.41 ? 575 ASP A CB 1 ATOM 1778 C CG . ASP A 1 234 ? -5.590 3.762 2.657 1.00 29.27 ? 575 ASP A CG 1 ATOM 1779 O OD1 . ASP A 1 234 ? -4.836 2.793 2.796 1.00 30.48 ? 575 ASP A OD1 1 ATOM 1780 O OD2 . ASP A 1 234 ? -5.541 4.444 1.610 1.00 30.08 ? 575 ASP A OD2 1 ATOM 1781 N N . GLY A 1 235 ? -6.245 0.532 4.538 1.00 27.99 ? 576 GLY A N 1 ATOM 1782 C CA . GLY A 1 235 ? -6.666 -0.770 4.058 1.00 28.77 ? 576 GLY A CA 1 ATOM 1783 C C . GLY A 1 235 ? -6.143 -1.143 2.685 1.00 29.74 ? 576 GLY A C 1 ATOM 1784 O O . GLY A 1 235 ? -6.591 -2.111 2.085 1.00 31.32 ? 576 GLY A O 1 ATOM 1785 N N . THR A 1 236 ? -5.169 -0.389 2.201 1.00 29.59 ? 577 THR A N 1 ATOM 1786 C CA . THR A 1 236 ? -4.618 -0.585 0.868 1.00 30.26 ? 577 THR A CA 1 ATOM 1787 C C . THR A 1 236 ? -3.237 -1.247 0.905 1.00 29.40 ? 577 THR A C 1 ATOM 1788 O O . THR A 1 236 ? -2.596 -1.289 1.956 1.00 30.63 ? 577 THR A O 1 ATOM 1789 C CB . THR A 1 236 ? -4.549 0.858 0.206 1.00 30.75 ? 577 THR A CB 1 ATOM 1790 O OG1 . THR A 1 236 ? -5.844 1.205 -0.321 1.00 34.48 ? 577 THR A OG1 1 ATOM 1791 C CG2 . THR A 1 236 ? -3.655 0.844 -1.000 1.00 30.84 ? 577 THR A CG2 1 ATOM 1792 N N . ARG A 1 237 ? -2.797 -1.786 -0.231 1.00 28.58 ? 578 ARG A N 1 ATOM 1793 C CA . ARG A 1 237 ? -1.473 -2.391 -0.344 1.00 27.77 ? 578 ARG A CA 1 ATOM 1794 C C . ARG A 1 237 ? -0.803 -1.639 -1.452 1.00 27.71 ? 578 ARG A C 1 ATOM 1795 O O . ARG A 1 237 ? -1.428 -1.378 -2.468 1.00 27.01 ? 578 ARG A O 1 ATOM 1796 C CB . ARG A 1 237 ? -1.535 -3.883 -0.773 1.00 27.84 ? 578 ARG A CB 1 ATOM 1797 C CG . ARG A 1 237 ? -2.031 -4.839 0.288 1.00 27.00 ? 578 ARG A CG 1 ATOM 1798 C CD . ARG A 1 237 ? -2.737 -6.069 -0.252 1.00 29.31 ? 578 ARG A CD 1 ATOM 1799 N NE . ARG A 1 237 ? -1.875 -6.883 -1.118 1.00 27.94 ? 578 ARG A NE 1 ATOM 1800 C CZ . ARG A 1 237 ? -1.135 -7.909 -0.711 1.00 26.87 ? 578 ARG A CZ 1 ATOM 1801 N NH1 . ARG A 1 237 ? -1.137 -8.272 0.556 1.00 23.36 ? 578 ARG A NH1 1 ATOM 1802 N NH2 . ARG A 1 237 ? -0.408 -8.587 -1.592 1.00 26.98 ? 578 ARG A NH2 1 ATOM 1803 N N . LYS A 1 238 ? 0.462 -1.298 -1.271 1.00 27.21 ? 579 LYS A N 1 ATOM 1804 C CA . LYS A 1 238 ? 1.185 -0.575 -2.314 1.00 27.73 ? 579 LYS A CA 1 ATOM 1805 C C . LYS A 1 238 ? 2.589 -1.124 -2.503 1.00 26.91 ? 579 LYS A C 1 ATOM 1806 O O . LYS A 1 238 ? 3.121 -1.746 -1.600 1.00 26.67 ? 579 LYS A O 1 ATOM 1807 C CB . LYS A 1 238 ? 1.242 0.927 -1.972 1.00 27.91 ? 579 LYS A CB 1 ATOM 1808 C CG . LYS A 1 238 ? -0.098 1.617 -2.183 1.00 28.86 ? 579 LYS A CG 1 ATOM 1809 C CD . LYS A 1 238 ? -0.017 3.071 -1.941 1.00 33.56 ? 579 LYS A CD 1 ATOM 1810 C CE . LYS A 1 238 ? -1.133 3.759 -2.684 1.00 37.71 ? 579 LYS A CE 1 ATOM 1811 N NZ . LYS A 1 238 ? -2.468 3.236 -2.244 1.00 38.70 ? 579 LYS A NZ 1 ATOM 1812 N N . PRO A 1 239 ? 3.168 -0.945 -3.687 1.00 27.33 ? 580 PRO A N 1 ATOM 1813 C CA . PRO A 1 239 ? 4.589 -1.263 -3.904 1.00 27.12 ? 580 PRO A CA 1 ATOM 1814 C C . PRO A 1 239 ? 5.487 -0.490 -2.954 1.00 27.14 ? 580 PRO A C 1 ATOM 1815 O O . PRO A 1 239 ? 5.093 0.567 -2.436 1.00 26.75 ? 580 PRO A O 1 ATOM 1816 C CB . PRO A 1 239 ? 4.840 -0.794 -5.332 1.00 27.48 ? 580 PRO A CB 1 ATOM 1817 C CG . PRO A 1 239 ? 3.460 -0.989 -5.967 1.00 29.07 ? 580 PRO A CG 1 ATOM 1818 C CD . PRO A 1 239 ? 2.502 -0.474 -4.914 1.00 27.51 ? 580 PRO A CD 1 ATOM 1819 N N . VAL A 1 240 ? 6.699 -0.984 -2.735 1.00 27.84 ? 581 VAL A N 1 ATOM 1820 C CA . VAL A 1 240 ? 7.597 -0.366 -1.771 1.00 29.01 ? 581 VAL A CA 1 ATOM 1821 C C . VAL A 1 240 ? 8.142 0.976 -2.242 1.00 29.50 ? 581 VAL A C 1 ATOM 1822 O O . VAL A 1 240 ? 8.796 1.713 -1.485 1.00 30.22 ? 581 VAL A O 1 ATOM 1823 C CB . VAL A 1 240 ? 8.720 -1.336 -1.333 1.00 30.45 ? 581 VAL A CB 1 ATOM 1824 C CG1 . VAL A 1 240 ? 8.098 -2.671 -0.909 1.00 29.20 ? 581 VAL A CG1 1 ATOM 1825 C CG2 . VAL A 1 240 ? 9.762 -1.567 -2.455 1.00 28.75 ? 581 VAL A CG2 1 ATOM 1826 N N . THR A 1 241 ? 7.842 1.336 -3.482 1.00 29.23 ? 582 THR A N 1 ATOM 1827 C CA . THR A 1 241 ? 8.284 2.648 -3.967 1.00 28.51 ? 582 THR A CA 1 ATOM 1828 C C . THR A 1 241 ? 7.416 3.768 -3.449 1.00 28.13 ? 582 THR A C 1 ATOM 1829 O O . THR A 1 241 ? 7.772 4.923 -3.585 1.00 28.10 ? 582 THR A O 1 ATOM 1830 C CB . THR A 1 241 ? 8.261 2.678 -5.480 1.00 28.70 ? 582 THR A CB 1 ATOM 1831 O OG1 . THR A 1 241 ? 7.089 2.004 -5.915 1.00 26.30 ? 582 THR A OG1 1 ATOM 1832 C CG2 . THR A 1 241 ? 9.439 1.843 -6.057 1.00 27.70 ? 582 THR A CG2 1 ATOM 1833 N N . GLU A 1 242 ? 6.286 3.410 -2.849 1.00 27.37 ? 583 GLU A N 1 ATOM 1834 C CA . GLU A 1 242 ? 5.311 4.371 -2.345 1.00 27.50 ? 583 GLU A CA 1 ATOM 1835 C C . GLU A 1 242 ? 5.338 4.516 -0.844 1.00 25.96 ? 583 GLU A C 1 ATOM 1836 O O . GLU A 1 242 ? 4.328 4.844 -0.252 1.00 25.95 ? 583 GLU A O 1 ATOM 1837 C CB . GLU A 1 242 ? 3.893 3.952 -2.781 1.00 27.74 ? 583 GLU A CB 1 ATOM 1838 C CG . GLU A 1 242 ? 3.261 4.840 -3.835 1.00 33.06 ? 583 GLU A CG 1 ATOM 1839 C CD . GLU A 1 242 ? 4.005 4.796 -5.145 1.00 40.44 ? 583 GLU A CD 1 ATOM 1840 O OE1 . GLU A 1 242 ? 5.237 4.619 -5.135 1.00 43.56 ? 583 GLU A OE1 1 ATOM 1841 O OE2 . GLU A 1 242 ? 3.356 4.947 -6.193 1.00 45.56 ? 583 GLU A OE2 1 ATOM 1842 N N . ALA A 1 243 ? 6.490 4.288 -0.224 1.00 24.48 ? 584 ALA A N 1 ATOM 1843 C CA . ALA A 1 243 ? 6.590 4.389 1.235 1.00 24.83 ? 584 ALA A CA 1 ATOM 1844 C C . ALA A 1 243 ? 6.178 5.771 1.758 1.00 25.15 ? 584 ALA A C 1 ATOM 1845 O O . ALA A 1 243 ? 5.692 5.908 2.892 1.00 23.83 ? 584 ALA A O 1 ATOM 1846 C CB . ALA A 1 243 ? 7.997 4.052 1.696 1.00 24.02 ? 584 ALA A CB 1 ATOM 1847 N N . GLN A 1 244 ? 6.370 6.790 0.930 1.00 26.24 ? 585 GLN A N 1 ATOM 1848 C CA . GLN A 1 244 ? 6.042 8.157 1.347 1.00 28.03 ? 585 GLN A CA 1 ATOM 1849 C C . GLN A 1 244 ? 4.539 8.359 1.511 1.00 27.84 ? 585 GLN A C 1 ATOM 1850 O O . GLN A 1 244 ? 4.121 9.300 2.162 1.00 28.99 ? 585 GLN A O 1 ATOM 1851 C CB . GLN A 1 244 ? 6.637 9.217 0.403 1.00 28.75 ? 585 GLN A CB 1 ATOM 1852 C CG . GLN A 1 244 ? 6.668 10.651 1.001 1.00 34.86 ? 585 GLN A CG 1 ATOM 1853 C CD . GLN A 1 244 ? 7.392 10.710 2.343 1.00 40.81 ? 585 GLN A CD 1 ATOM 1854 O OE1 . GLN A 1 244 ? 6.789 11.026 3.378 1.00 44.18 ? 585 GLN A OE1 1 ATOM 1855 N NE2 . GLN A 1 244 ? 8.677 10.371 2.333 1.00 43.89 ? 585 GLN A NE2 1 ATOM 1856 N N . SER A 1 245 ? 3.720 7.496 0.922 1.00 27.64 ? 586 SER A N 1 ATOM 1857 C CA . SER A 1 245 ? 2.274 7.647 1.081 1.00 27.59 ? 586 SER A CA 1 ATOM 1858 C C . SER A 1 245 ? 1.637 6.442 1.719 1.00 27.34 ? 586 SER A C 1 ATOM 1859 O O . SER A 1 245 ? 0.413 6.302 1.734 1.00 28.35 ? 586 SER A O 1 ATOM 1860 C CB . SER A 1 245 ? 1.577 7.999 -0.249 1.00 28.82 ? 586 SER A CB 1 ATOM 1861 O OG . SER A 1 245 ? 1.738 6.988 -1.251 1.00 29.65 ? 586 SER A OG 1 ATOM 1862 N N . CYS A 1 246 ? 2.476 5.536 2.223 1.00 26.61 ? 587 CYS A N 1 ATOM 1863 C CA . CYS A 1 246 ? 2.002 4.287 2.821 1.00 25.64 ? 587 CYS A CA 1 ATOM 1864 C C . CYS A 1 246 ? 2.887 3.885 4.007 1.00 24.68 ? 587 CYS A C 1 ATOM 1865 O O . CYS A 1 246 ? 3.467 2.821 4.022 1.00 24.94 ? 587 CYS A O 1 ATOM 1866 C CB . CYS A 1 246 ? 2.044 3.199 1.747 1.00 25.95 ? 587 CYS A CB 1 ATOM 1867 S SG . CYS A 1 246 ? 1.281 1.653 2.192 1.00 26.31 ? 587 CYS A SG 1 ATOM 1868 N N . HIS A 1 247 ? 3.004 4.742 5.013 1.00 24.33 ? 588 HIS A N 1 ATOM 1869 C CA . HIS A 1 247 ? 3.786 4.374 6.181 1.00 22.97 ? 588 HIS A CA 1 ATOM 1870 C C . HIS A 1 247 ? 2.922 4.454 7.444 1.00 22.88 ? 588 HIS A C 1 ATOM 1871 O O . HIS A 1 247 ? 1.832 5.026 7.429 1.00 22.84 ? 588 HIS A O 1 ATOM 1872 C CB . HIS A 1 247 ? 5.013 5.260 6.320 1.00 22.95 ? 588 HIS A CB 1 ATOM 1873 C CG . HIS A 1 247 ? 4.714 6.716 6.212 1.00 22.47 ? 588 HIS A CG 1 ATOM 1874 N ND1 . HIS A 1 247 ? 4.760 7.389 5.014 1.00 20.68 ? 588 HIS A ND1 1 ATOM 1875 C CD2 . HIS A 1 247 ? 4.335 7.625 7.144 1.00 23.62 ? 588 HIS A CD2 1 ATOM 1876 C CE1 . HIS A 1 247 ? 4.431 8.655 5.210 1.00 24.53 ? 588 HIS A CE1 1 ATOM 1877 N NE2 . HIS A 1 247 ? 4.169 8.825 6.493 1.00 25.53 ? 588 HIS A NE2 1 ATOM 1878 N N . LEU A 1 248 ? 3.416 3.885 8.532 1.00 21.71 ? 589 LEU A N 1 ATOM 1879 C CA . LEU A 1 248 ? 2.698 3.914 9.789 1.00 22.17 ? 589 LEU A CA 1 ATOM 1880 C C . LEU A 1 248 ? 3.047 5.184 10.565 1.00 22.11 ? 589 LEU A C 1 ATOM 1881 O O . LEU A 1 248 ? 2.230 5.665 11.339 1.00 22.49 ? 589 LEU A O 1 ATOM 1882 C CB . LEU A 1 248 ? 2.987 2.677 10.656 1.00 22.75 ? 589 LEU A CB 1 ATOM 1883 C CG . LEU A 1 248 ? 2.843 1.260 10.022 1.00 24.00 ? 589 LEU A CG 1 ATOM 1884 C CD1 . LEU A 1 248 ? 2.856 0.170 11.085 1.00 26.20 ? 589 LEU A CD1 1 ATOM 1885 C CD2 . LEU A 1 248 ? 1.597 1.158 9.243 1.00 24.01 ? 589 LEU A CD2 1 ATOM 1886 N N . ALA A 1 249 ? 4.244 5.720 10.362 1.00 21.39 ? 590 ALA A N 1 ATOM 1887 C CA . ALA A 1 249 ? 4.665 6.965 11.009 1.00 21.90 ? 590 ALA A CA 1 ATOM 1888 C C . ALA A 1 249 ? 6.071 7.273 10.589 1.00 22.18 ? 590 ALA A C 1 ATOM 1889 O O . ALA A 1 249 ? 6.691 6.471 9.920 1.00 22.69 ? 590 ALA A O 1 ATOM 1890 C CB . ALA A 1 249 ? 4.631 6.837 12.496 1.00 21.58 ? 590 ALA A CB 1 ATOM 1891 N N . VAL A 1 250 ? 6.567 8.440 10.992 1.00 22.42 ? 591 VAL A N 1 ATOM 1892 C CA . VAL A 1 250 ? 7.956 8.797 10.805 1.00 22.95 ? 591 VAL A CA 1 ATOM 1893 C C . VAL A 1 250 ? 8.607 8.715 12.182 1.00 21.18 ? 591 VAL A C 1 ATOM 1894 O O . VAL A 1 250 ? 8.123 9.238 13.154 1.00 20.84 ? 591 VAL A O 1 ATOM 1895 C CB . VAL A 1 250 ? 8.115 10.182 10.106 1.00 23.81 ? 591 VAL A CB 1 ATOM 1896 C CG1 . VAL A 1 250 ? 6.745 10.673 9.650 1.00 25.73 ? 591 VAL A CG1 1 ATOM 1897 C CG2 . VAL A 1 250 ? 8.747 11.216 11.011 1.00 26.81 ? 591 VAL A CG2 1 ATOM 1898 N N . ALA A 1 251 ? 9.668 7.945 12.278 1.00 20.01 ? 592 ALA A N 1 ATOM 1899 C CA . ALA A 1 251 ? 10.358 7.779 13.532 1.00 18.83 ? 592 ALA A CA 1 ATOM 1900 C C . ALA A 1 251 ? 11.568 8.744 13.644 1.00 18.31 ? 592 ALA A C 1 ATOM 1901 O O . ALA A 1 251 ? 12.209 9.031 12.665 1.00 16.86 ? 592 ALA A O 1 ATOM 1902 C CB . ALA A 1 251 ? 10.852 6.343 13.631 1.00 18.90 ? 592 ALA A CB 1 ATOM 1903 N N . PRO A 1 252 ? 11.901 9.165 14.853 1.00 18.15 ? 593 PRO A N 1 ATOM 1904 C CA . PRO A 1 252 ? 13.138 9.931 15.125 1.00 17.70 ? 593 PRO A CA 1 ATOM 1905 C C . PRO A 1 252 ? 14.408 9.036 14.926 1.00 18.52 ? 593 PRO A C 1 ATOM 1906 O O . PRO A 1 252 ? 14.401 7.868 15.335 1.00 18.53 ? 593 PRO A O 1 ATOM 1907 C CB . PRO A 1 252 ? 13.021 10.256 16.614 1.00 18.04 ? 593 PRO A CB 1 ATOM 1908 C CG . PRO A 1 252 ? 11.586 9.969 16.966 1.00 18.58 ? 593 PRO A CG 1 ATOM 1909 C CD . PRO A 1 252 ? 11.122 8.863 16.072 1.00 18.48 ? 593 PRO A CD 1 ATOM 1910 N N . ASN A 1 253 ? 15.460 9.539 14.282 1.00 17.81 ? 594 ASN A N 1 ATOM 1911 C CA . ASN A 1 253 ? 16.653 8.723 14.048 1.00 18.10 ? 594 ASN A CA 1 ATOM 1912 C C . ASN A 1 253 ? 17.259 8.130 15.336 1.00 17.37 ? 594 ASN A C 1 ATOM 1913 O O . ASN A 1 253 ? 17.083 8.682 16.427 1.00 18.87 ? 594 ASN A O 1 ATOM 1914 C CB . ASN A 1 253 ? 17.708 9.559 13.316 1.00 18.57 ? 594 ASN A CB 1 ATOM 1915 C CG . ASN A 1 253 ? 17.349 9.792 11.821 1.00 23.57 ? 594 ASN A CG 1 ATOM 1916 O OD1 . ASN A 1 253 ? 16.755 8.945 11.168 1.00 30.44 ? 594 ASN A OD1 1 ATOM 1917 N ND2 . ASN A 1 253 ? 17.719 10.932 11.303 1.00 27.64 ? 594 ASN A ND2 1 ATOM 1918 N N . HIS A 1 254 ? 17.982 7.023 15.225 1.00 15.41 ? 595 HIS A N 1 ATOM 1919 C CA . HIS A 1 254 ? 18.656 6.499 16.391 1.00 14.70 ? 595 HIS A CA 1 ATOM 1920 C C . HIS A 1 254 ? 19.684 7.543 16.759 1.00 15.40 ? 595 HIS A C 1 ATOM 1921 O O . HIS A 1 254 ? 20.127 8.350 15.883 1.00 15.37 ? 595 HIS A O 1 ATOM 1922 C CB . HIS A 1 254 ? 19.281 5.109 16.144 1.00 14.95 ? 595 HIS A CB 1 ATOM 1923 C CG . HIS A 1 254 ? 18.260 4.052 15.833 1.00 14.93 ? 595 HIS A CG 1 ATOM 1924 N ND1 . HIS A 1 254 ? 18.555 2.715 15.800 1.00 19.12 ? 595 HIS A ND1 1 ATOM 1925 C CD2 . HIS A 1 254 ? 16.958 4.148 15.498 1.00 15.23 ? 595 HIS A CD2 1 ATOM 1926 C CE1 . HIS A 1 254 ? 17.470 2.016 15.517 1.00 14.73 ? 595 HIS A CE1 1 ATOM 1927 N NE2 . HIS A 1 254 ? 16.488 2.862 15.301 1.00 16.81 ? 595 HIS A NE2 1 ATOM 1928 N N . ALA A 1 255 ? 20.001 7.612 18.052 1.00 14.84 ? 596 ALA A N 1 ATOM 1929 C CA . ALA A 1 255 ? 20.995 8.581 18.517 1.00 15.61 ? 596 ALA A CA 1 ATOM 1930 C C . ALA A 1 255 ? 21.805 8.044 19.665 1.00 15.97 ? 596 ALA A C 1 ATOM 1931 O O . ALA A 1 255 ? 21.376 7.151 20.394 1.00 16.70 ? 596 ALA A O 1 ATOM 1932 C CB . ALA A 1 255 ? 20.319 9.916 18.914 1.00 15.57 ? 596 ALA A CB 1 ATOM 1933 N N . VAL A 1 256 ? 23.026 8.555 19.762 1.00 16.77 ? 597 VAL A N 1 ATOM 1934 C CA . VAL A 1 256 ? 23.950 8.272 20.840 1.00 16.77 ? 597 VAL A CA 1 ATOM 1935 C C . VAL A 1 256 ? 23.488 8.967 22.134 1.00 16.41 ? 597 VAL A C 1 ATOM 1936 O O . VAL A 1 256 ? 23.127 10.131 22.107 1.00 16.71 ? 597 VAL A O 1 ATOM 1937 C CB . VAL A 1 256 ? 25.345 8.768 20.458 1.00 17.05 ? 597 VAL A CB 1 ATOM 1938 C CG1 . VAL A 1 256 ? 26.348 8.561 21.615 1.00 17.62 ? 597 VAL A CG1 1 ATOM 1939 C CG2 . VAL A 1 256 ? 25.815 8.085 19.148 1.00 16.66 ? 597 VAL A CG2 1 ATOM 1940 N N . VAL A 1 257 ? 23.418 8.239 23.253 1.00 16.18 ? 598 VAL A N 1 ATOM 1941 C CA . VAL A 1 257 ? 23.058 8.881 24.497 1.00 16.14 ? 598 VAL A CA 1 ATOM 1942 C C . VAL A 1 257 ? 24.139 8.676 25.547 1.00 17.61 ? 598 VAL A C 1 ATOM 1943 O O . VAL A 1 257 ? 24.896 7.710 25.507 1.00 18.23 ? 598 VAL A O 1 ATOM 1944 C CB . VAL A 1 257 ? 21.702 8.383 25.108 1.00 17.01 ? 598 VAL A CB 1 ATOM 1945 C CG1 . VAL A 1 257 ? 20.531 8.475 24.112 1.00 15.66 ? 598 VAL A CG1 1 ATOM 1946 C CG2 . VAL A 1 257 ? 21.844 6.966 25.731 1.00 15.71 ? 598 VAL A CG2 1 ATOM 1947 N N . SER A 1 258 ? 24.185 9.559 26.527 1.00 18.95 ? 599 SER A N 1 ATOM 1948 C CA . SER A 1 258 ? 25.092 9.357 27.643 1.00 20.37 ? 599 SER A CA 1 ATOM 1949 C C . SER A 1 258 ? 24.540 10.060 28.877 1.00 20.86 ? 599 SER A C 1 ATOM 1950 O O . SER A 1 258 ? 23.492 10.715 28.809 1.00 21.56 ? 599 SER A O 1 ATOM 1951 C CB . SER A 1 258 ? 26.478 9.925 27.312 1.00 19.98 ? 599 SER A CB 1 ATOM 1952 O OG . SER A 1 258 ? 26.429 11.323 27.258 1.00 21.24 ? 599 SER A OG 1 ATOM 1953 N N . ARG A 1 259 ? 25.226 9.913 30.000 1.00 20.59 ? 600 ARG A N 1 ATOM 1954 C CA . ARG A 1 259 ? 24.870 10.699 31.171 1.00 21.40 ? 600 ARG A CA 1 ATOM 1955 C C . ARG A 1 259 ? 25.068 12.202 30.869 1.00 20.98 ? 600 ARG A C 1 ATOM 1956 O O . ARG A 1 259 ? 26.029 12.588 30.198 1.00 20.48 ? 600 ARG A O 1 ATOM 1957 C CB . ARG A 1 259 ? 25.663 10.211 32.389 1.00 19.52 ? 600 ARG A CB 1 ATOM 1958 C CG . ARG A 1 259 ? 24.758 9.638 33.422 1.00 20.93 ? 600 ARG A CG 1 ATOM 1959 C CD . ARG A 1 259 ? 25.408 8.924 34.526 1.00 22.26 ? 600 ARG A CD 1 ATOM 1960 N NE . ARG A 1 259 ? 26.462 9.724 35.112 1.00 23.28 ? 600 ARG A NE 1 ATOM 1961 C CZ . ARG A 1 259 ? 27.125 9.380 36.176 1.00 24.45 ? 600 ARG A CZ 1 ATOM 1962 N NH1 . ARG A 1 259 ? 26.889 8.189 36.732 1.00 23.75 ? 600 ARG A NH1 1 ATOM 1963 N NH2 . ARG A 1 259 ? 28.042 10.204 36.670 1.00 21.86 ? 600 ARG A NH2 1 ATOM 1964 N N . SER A 1 260 ? 24.159 13.049 31.332 1.00 22.55 ? 601 SER A N 1 ATOM 1965 C CA . SER A 1 260 ? 24.300 14.444 30.982 1.00 25.54 ? 601 SER A CA 1 ATOM 1966 C C . SER A 1 260 ? 25.641 15.002 31.412 1.00 25.23 ? 601 SER A C 1 ATOM 1967 O O . SER A 1 260 ? 26.202 15.884 30.738 1.00 27.27 ? 601 SER A O 1 ATOM 1968 C CB . SER A 1 260 ? 23.212 15.324 31.611 1.00 26.47 ? 601 SER A CB 1 ATOM 1969 O OG . SER A 1 260 ? 23.112 14.974 32.992 1.00 31.25 ? 601 SER A OG 1 ATOM 1970 N N . ASP A 1 261 ? 26.136 14.560 32.556 1.00 24.19 ? 602 ASP A N 1 ATOM 1971 C CA . ASP A 1 261 ? 27.425 15.081 33.023 1.00 24.76 ? 602 ASP A CA 1 ATOM 1972 C C . ASP A 1 261 ? 28.644 14.628 32.206 1.00 24.97 ? 602 ASP A C 1 ATOM 1973 O O . ASP A 1 261 ? 29.748 15.157 32.409 1.00 24.36 ? 602 ASP A O 1 ATOM 1974 C CB . ASP A 1 261 ? 27.649 14.742 34.490 1.00 25.27 ? 602 ASP A CB 1 ATOM 1975 C CG . ASP A 1 261 ? 27.556 13.249 34.763 1.00 26.20 ? 602 ASP A CG 1 ATOM 1976 O OD1 . ASP A 1 261 ? 26.557 12.615 34.424 1.00 26.39 ? 602 ASP A OD1 1 ATOM 1977 O OD2 . ASP A 1 261 ? 28.455 12.625 35.318 1.00 30.06 ? 602 ASP A OD2 1 ATOM 1978 N N . ARG A 1 262 ? 28.440 13.654 31.307 1.00 24.43 ? 603 ARG A N 1 ATOM 1979 C CA . ARG A 1 262 ? 29.487 13.122 30.433 1.00 24.18 ? 603 ARG A CA 1 ATOM 1980 C C . ARG A 1 262 ? 29.321 13.548 28.971 1.00 23.10 ? 603 ARG A C 1 ATOM 1981 O O . ARG A 1 262 ? 30.142 13.223 28.118 1.00 24.66 ? 603 ARG A O 1 ATOM 1982 C CB . ARG A 1 262 ? 29.473 11.534 30.498 1.00 24.92 ? 603 ARG A CB 1 ATOM 1983 C CG . ARG A 1 262 ? 30.027 10.996 31.780 1.00 25.84 ? 603 ARG A CG 1 ATOM 1984 C CD . ARG A 1 262 ? 31.529 11.207 31.880 1.00 30.64 ? 603 ARG A CD 1 ATOM 1985 N NE . ARG A 1 262 ? 32.240 10.252 31.016 1.00 32.92 ? 603 ARG A NE 1 ATOM 1986 C CZ . ARG A 1 262 ? 33.475 10.459 30.583 1.00 35.28 ? 603 ARG A CZ 1 ATOM 1987 N NH1 . ARG A 1 262 ? 34.107 11.592 30.942 1.00 36.75 ? 603 ARG A NH1 1 ATOM 1988 N NH2 . ARG A 1 262 ? 34.064 9.586 29.779 1.00 38.55 ? 603 ARG A NH2 1 ATOM 1989 N N . ALA A 1 263 ? 28.266 14.285 28.689 1.00 22.31 ? 604 ALA A N 1 ATOM 1990 C CA . ALA A 1 263 ? 27.829 14.596 27.328 1.00 21.64 ? 604 ALA A CA 1 ATOM 1991 C C . ALA A 1 263 ? 28.840 15.316 26.463 1.00 21.62 ? 604 ALA A C 1 ATOM 1992 O O . ALA A 1 263 ? 29.126 14.878 25.364 1.00 21.08 ? 604 ALA A O 1 ATOM 1993 C CB . ALA A 1 263 ? 26.539 15.376 27.379 1.00 20.94 ? 604 ALA A CB 1 ATOM 1994 N N . ALA A 1 264 ? 29.368 16.426 26.974 1.00 21.62 ? 605 ALA A N 1 ATOM 1995 C CA . ALA A 1 264 ? 30.322 17.233 26.251 1.00 22.78 ? 605 ALA A CA 1 ATOM 1996 C C . ALA A 1 264 ? 31.552 16.444 25.868 1.00 23.02 ? 605 ALA A C 1 ATOM 1997 O O . ALA A 1 264 ? 32.070 16.561 24.775 1.00 22.72 ? 605 ALA A O 1 ATOM 1998 C CB . ALA A 1 264 ? 30.729 18.451 27.124 1.00 23.28 ? 605 ALA A CB 1 ATOM 1999 N N . HIS A 1 265 ? 32.018 15.622 26.789 1.00 23.92 ? 606 HIS A N 1 ATOM 2000 C CA . HIS A 1 265 ? 33.181 14.808 26.545 1.00 25.48 ? 606 HIS A CA 1 ATOM 2001 C C . HIS A 1 265 ? 32.861 13.731 25.498 1.00 25.45 ? 606 HIS A C 1 ATOM 2002 O O . HIS A 1 265 ? 33.640 13.496 24.557 1.00 25.36 ? 606 HIS A O 1 ATOM 2003 C CB . HIS A 1 265 ? 33.569 14.175 27.872 1.00 26.67 ? 606 HIS A CB 1 ATOM 2004 C CG . HIS A 1 265 ? 34.790 13.331 27.808 1.00 32.18 ? 606 HIS A CG 1 ATOM 2005 N ND1 . HIS A 1 265 ? 34.772 11.980 28.083 1.00 36.88 ? 606 HIS A ND1 1 ATOM 2006 C CD2 . HIS A 1 265 ? 36.073 13.640 27.487 1.00 38.14 ? 606 HIS A CD2 1 ATOM 2007 C CE1 . HIS A 1 265 ? 35.997 11.493 27.956 1.00 39.18 ? 606 HIS A CE1 1 ATOM 2008 N NE2 . HIS A 1 265 ? 36.800 12.476 27.580 1.00 41.22 ? 606 HIS A NE2 1 ATOM 2009 N N . VAL A 1 266 ? 31.705 13.081 25.633 1.00 24.28 ? 607 VAL A N 1 ATOM 2010 C CA . VAL A 1 266 ? 31.390 12.005 24.692 1.00 24.03 ? 607 VAL A CA 1 ATOM 2011 C C . VAL A 1 266 ? 31.304 12.563 23.267 1.00 23.72 ? 607 VAL A C 1 ATOM 2012 O O . VAL A 1 266 ? 31.814 11.977 22.338 1.00 23.02 ? 607 VAL A O 1 ATOM 2013 C CB . VAL A 1 266 ? 30.103 11.264 25.077 1.00 23.77 ? 607 VAL A CB 1 ATOM 2014 C CG1 . VAL A 1 266 ? 29.676 10.301 23.970 1.00 22.25 ? 607 VAL A CG1 1 ATOM 2015 C CG2 . VAL A 1 266 ? 30.299 10.521 26.390 1.00 24.16 ? 607 VAL A CG2 1 ATOM 2016 N N . GLU A 1 267 ? 30.667 13.718 23.138 1.00 24.93 ? 608 GLU A N 1 ATOM 2017 C CA . GLU A 1 267 ? 30.516 14.444 21.880 1.00 24.84 ? 608 GLU A CA 1 ATOM 2018 C C . GLU A 1 267 ? 31.871 14.738 21.221 1.00 25.33 ? 608 GLU A C 1 ATOM 2019 O O . GLU A 1 267 ? 32.091 14.422 20.062 1.00 24.37 ? 608 GLU A O 1 ATOM 2020 C CB . GLU A 1 267 ? 29.777 15.752 22.157 1.00 24.95 ? 608 GLU A CB 1 ATOM 2021 C CG . GLU A 1 267 ? 29.292 16.444 20.898 1.00 29.65 ? 608 GLU A CG 1 ATOM 2022 C CD . GLU A 1 267 ? 28.600 17.786 21.133 1.00 39.41 ? 608 GLU A CD 1 ATOM 2023 O OE1 . GLU A 1 267 ? 28.184 18.094 22.276 1.00 43.92 ? 608 GLU A OE1 1 ATOM 2024 O OE2 . GLU A 1 267 ? 28.471 18.560 20.145 1.00 43.81 ? 608 GLU A OE2 1 ATOM 2025 N N . GLN A 1 268 ? 32.782 15.339 21.981 1.00 26.10 ? 609 GLN A N 1 ATOM 2026 C CA . GLN A 1 268 ? 34.102 15.686 21.476 1.00 27.59 ? 609 GLN A CA 1 ATOM 2027 C C . GLN A 1 268 ? 34.801 14.481 20.872 1.00 26.38 ? 609 GLN A C 1 ATOM 2028 O O . GLN A 1 268 ? 35.236 14.500 19.721 1.00 26.12 ? 609 GLN A O 1 ATOM 2029 C CB . GLN A 1 268 ? 34.931 16.228 22.638 1.00 29.06 ? 609 GLN A CB 1 ATOM 2030 C CG . GLN A 1 268 ? 36.415 16.434 22.380 1.00 35.35 ? 609 GLN A CG 1 ATOM 2031 C CD . GLN A 1 268 ? 37.085 17.126 23.591 1.00 42.91 ? 609 GLN A CD 1 ATOM 2032 O OE1 . GLN A 1 268 ? 36.537 18.123 24.120 1.00 43.12 ? 609 GLN A OE1 1 ATOM 2033 N NE2 . GLN A 1 268 ? 38.259 16.611 24.022 1.00 42.85 ? 609 GLN A NE2 1 ATOM 2034 N N . VAL A 1 269 ? 34.924 13.423 21.653 1.00 25.66 ? 610 VAL A N 1 ATOM 2035 C CA . VAL A 1 269 ? 35.597 12.227 21.167 1.00 25.18 ? 610 VAL A CA 1 ATOM 2036 C C . VAL A 1 269 ? 34.978 11.612 19.915 1.00 24.69 ? 610 VAL A C 1 ATOM 2037 O O . VAL A 1 269 ? 35.681 11.231 19.010 1.00 25.33 ? 610 VAL A O 1 ATOM 2038 C CB . VAL A 1 269 ? 35.756 11.215 22.283 1.00 24.87 ? 610 VAL A CB 1 ATOM 2039 C CG1 . VAL A 1 269 ? 36.202 9.869 21.744 1.00 25.80 ? 610 VAL A CG1 1 ATOM 2040 C CG2 . VAL A 1 269 ? 36.788 11.741 23.205 1.00 25.37 ? 610 VAL A CG2 1 ATOM 2041 N N . LEU A 1 270 ? 33.659 11.543 19.843 1.00 24.59 ? 611 LEU A N 1 ATOM 2042 C CA . LEU A 1 270 ? 33.020 10.893 18.723 1.00 23.51 ? 611 LEU A CA 1 ATOM 2043 C C . LEU A 1 270 ? 33.208 11.645 17.402 1.00 24.15 ? 611 LEU A C 1 ATOM 2044 O O . LEU A 1 270 ? 33.352 11.021 16.342 1.00 22.13 ? 611 LEU A O 1 ATOM 2045 C CB . LEU A 1 270 ? 31.529 10.755 18.992 1.00 24.25 ? 611 LEU A CB 1 ATOM 2046 C CG . LEU A 1 270 ? 30.947 9.474 19.573 1.00 23.48 ? 611 LEU A CG 1 ATOM 2047 C CD1 . LEU A 1 270 ? 31.676 9.087 20.801 1.00 27.22 ? 611 LEU A CD1 1 ATOM 2048 C CD2 . LEU A 1 270 ? 29.506 9.798 19.917 1.00 26.78 ? 611 LEU A CD2 1 ATOM 2049 N N . LEU A 1 271 ? 33.115 12.972 17.456 1.00 24.30 ? 612 LEU A N 1 ATOM 2050 C CA . LEU A 1 271 ? 33.358 13.786 16.256 1.00 26.51 ? 612 LEU A CA 1 ATOM 2051 C C . LEU A 1 271 ? 34.753 13.511 15.661 1.00 26.72 ? 612 LEU A C 1 ATOM 2052 O O . LEU A 1 271 ? 34.899 13.474 14.444 1.00 28.01 ? 612 LEU A O 1 ATOM 2053 C CB . LEU A 1 271 ? 33.183 15.291 16.524 1.00 25.92 ? 612 LEU A CB 1 ATOM 2054 C CG . LEU A 1 271 ? 31.757 15.698 16.903 1.00 29.17 ? 612 LEU A CG 1 ATOM 2055 C CD1 . LEU A 1 271 ? 31.685 17.152 17.425 1.00 32.28 ? 612 LEU A CD1 1 ATOM 2056 C CD2 . LEU A 1 271 ? 30.858 15.513 15.696 1.00 27.59 ? 612 LEU A CD2 1 ATOM 2057 N N . HIS A 1 272 ? 35.745 13.281 16.513 1.00 27.27 ? 613 HIS A N 1 ATOM 2058 C CA . HIS A 1 272 ? 37.112 12.964 16.067 1.00 28.13 ? 613 HIS A CA 1 ATOM 2059 C C . HIS A 1 272 ? 37.216 11.513 15.602 1.00 28.73 ? 613 HIS A C 1 ATOM 2060 O O . HIS A 1 272 ? 37.925 11.203 14.627 1.00 28.44 ? 613 HIS A O 1 ATOM 2061 C CB . HIS A 1 272 ? 38.085 13.233 17.200 1.00 28.43 ? 613 HIS A CB 1 ATOM 2062 C CG . HIS A 1 272 ? 39.475 12.767 16.943 1.00 33.89 ? 613 HIS A CG 1 ATOM 2063 N ND1 . HIS A 1 272 ? 40.259 13.283 15.923 1.00 38.23 ? 613 HIS A ND1 1 ATOM 2064 C CD2 . HIS A 1 272 ? 40.239 11.846 17.579 1.00 35.61 ? 613 HIS A CD2 1 ATOM 2065 C CE1 . HIS A 1 272 ? 41.439 12.689 15.939 1.00 36.47 ? 613 HIS A CE1 1 ATOM 2066 N NE2 . HIS A 1 272 ? 41.458 11.824 16.940 1.00 39.04 ? 613 HIS A NE2 1 ATOM 2067 N N . GLN A 1 273 ? 36.520 10.612 16.296 1.00 27.29 ? 614 GLN A N 1 ATOM 2068 C CA . GLN A 1 273 ? 36.511 9.238 15.850 1.00 26.90 ? 614 GLN A CA 1 ATOM 2069 C C . GLN A 1 273 ? 35.887 9.089 14.473 1.00 27.33 ? 614 GLN A C 1 ATOM 2070 O O . GLN A 1 273 ? 36.324 8.234 13.695 1.00 27.40 ? 614 GLN A O 1 ATOM 2071 C CB . GLN A 1 273 ? 35.758 8.335 16.839 1.00 27.14 ? 614 GLN A CB 1 ATOM 2072 C CG . GLN A 1 273 ? 36.505 8.103 18.116 1.00 24.73 ? 614 GLN A CG 1 ATOM 2073 C CD . GLN A 1 273 ? 37.805 7.398 17.869 1.00 24.80 ? 614 GLN A CD 1 ATOM 2074 O OE1 . GLN A 1 273 ? 37.814 6.333 17.270 1.00 24.74 ? 614 GLN A OE1 1 ATOM 2075 N NE2 . GLN A 1 273 ? 38.915 7.996 18.309 1.00 23.96 ? 614 GLN A NE2 1 ATOM 2076 N N . GLN A 1 274 ? 34.835 9.858 14.169 1.00 27.18 ? 615 GLN A N 1 ATOM 2077 C CA . GLN A 1 274 ? 34.239 9.734 12.838 1.00 27.85 ? 615 GLN A CA 1 ATOM 2078 C C . GLN A 1 274 ? 35.045 10.379 11.719 1.00 28.35 ? 615 GLN A C 1 ATOM 2079 O O . GLN A 1 274 ? 34.853 10.072 10.565 1.00 28.09 ? 615 GLN A O 1 ATOM 2080 C CB . GLN A 1 274 ? 32.787 10.187 12.796 1.00 27.85 ? 615 GLN A CB 1 ATOM 2081 C CG . GLN A 1 274 ? 32.520 11.610 12.465 1.00 26.83 ? 615 GLN A CG 1 ATOM 2082 C CD . GLN A 1 274 ? 31.047 11.869 12.446 1.00 28.78 ? 615 GLN A CD 1 ATOM 2083 O OE1 . GLN A 1 274 ? 30.258 11.005 12.034 1.00 28.33 ? 615 GLN A OE1 1 ATOM 2084 N NE2 . GLN A 1 274 ? 30.649 13.033 12.913 1.00 28.99 ? 615 GLN A NE2 1 ATOM 2085 N N . ALA A 1 275 ? 35.931 11.293 12.080 1.00 29.82 ? 616 ALA A N 1 ATOM 2086 C CA . ALA A 1 275 ? 36.809 11.936 11.108 1.00 30.86 ? 616 ALA A CA 1 ATOM 2087 C C . ALA A 1 275 ? 37.849 10.928 10.670 1.00 30.86 ? 616 ALA A C 1 ATOM 2088 O O . ALA A 1 275 ? 38.404 11.032 9.572 1.00 32.47 ? 616 ALA A O 1 ATOM 2089 C CB . ALA A 1 275 ? 37.499 13.157 11.728 1.00 30.40 ? 616 ALA A CB 1 ATOM 2090 N N . LEU A 1 276 ? 38.115 9.970 11.551 1.00 30.97 ? 617 LEU A N 1 ATOM 2091 C CA . LEU A 1 276 ? 39.052 8.890 11.310 1.00 30.74 ? 617 LEU A CA 1 ATOM 2092 C C . LEU A 1 276 ? 38.398 7.651 10.694 1.00 31.26 ? 617 LEU A C 1 ATOM 2093 O O . LEU A 1 276 ? 38.956 7.029 9.784 1.00 30.83 ? 617 LEU A O 1 ATOM 2094 C CB . LEU A 1 276 ? 39.670 8.465 12.621 1.00 31.00 ? 617 LEU A CB 1 ATOM 2095 C CG . LEU A 1 276 ? 40.417 9.489 13.475 1.00 32.45 ? 617 LEU A CG 1 ATOM 2096 C CD1 . LEU A 1 276 ? 41.297 8.727 14.445 1.00 30.37 ? 617 LEU A CD1 1 ATOM 2097 C CD2 . LEU A 1 276 ? 41.247 10.488 12.605 1.00 31.01 ? 617 LEU A CD2 1 ATOM 2098 N N . PHE A 1 277 ? 37.208 7.290 11.165 1.00 30.97 ? 618 PHE A N 1 ATOM 2099 C CA . PHE A 1 277 ? 36.617 6.037 10.701 1.00 31.74 ? 618 PHE A CA 1 ATOM 2100 C C . PHE A 1 277 ? 35.266 6.137 10.034 1.00 32.57 ? 618 PHE A C 1 ATOM 2101 O O . PHE A 1 277 ? 34.708 5.110 9.627 1.00 32.91 ? 618 PHE A O 1 ATOM 2102 C CB . PHE A 1 277 ? 36.536 5.022 11.833 1.00 31.19 ? 618 PHE A CB 1 ATOM 2103 C CG . PHE A 1 277 ? 37.811 4.838 12.572 1.00 29.90 ? 618 PHE A CG 1 ATOM 2104 C CD1 . PHE A 1 277 ? 38.893 4.218 11.970 1.00 31.39 ? 618 PHE A CD1 1 ATOM 2105 C CD2 . PHE A 1 277 ? 37.937 5.285 13.866 1.00 29.04 ? 618 PHE A CD2 1 ATOM 2106 C CE1 . PHE A 1 277 ? 40.078 4.017 12.658 1.00 29.97 ? 618 PHE A CE1 1 ATOM 2107 C CE2 . PHE A 1 277 ? 39.106 5.090 14.563 1.00 31.00 ? 618 PHE A CE2 1 ATOM 2108 C CZ . PHE A 1 277 ? 40.195 4.465 13.941 1.00 30.87 ? 618 PHE A CZ 1 ATOM 2109 N N . GLY A 1 278 ? 34.777 7.363 9.881 1.00 33.99 ? 619 GLY A N 1 ATOM 2110 C CA . GLY A 1 278 ? 33.504 7.627 9.246 1.00 36.36 ? 619 GLY A CA 1 ATOM 2111 C C . GLY A 1 278 ? 33.513 7.342 7.761 1.00 38.24 ? 619 GLY A C 1 ATOM 2112 O O . GLY A 1 278 ? 34.465 6.774 7.247 1.00 38.37 ? 619 GLY A O 1 ATOM 2113 N N . LYS A 1 279 ? 32.440 7.747 7.081 1.00 40.77 ? 620 LYS A N 1 ATOM 2114 C CA . LYS A 1 279 ? 32.268 7.498 5.646 1.00 43.32 ? 620 LYS A CA 1 ATOM 2115 C C . LYS A 1 279 ? 33.446 7.968 4.808 1.00 44.61 ? 620 LYS A C 1 ATOM 2116 O O . LYS A 1 279 ? 33.968 7.223 3.980 1.00 45.56 ? 620 LYS A O 1 ATOM 2117 C CB . LYS A 1 279 ? 31.012 8.170 5.135 1.00 43.35 ? 620 LYS A CB 1 ATOM 2118 C CG . LYS A 1 279 ? 30.736 7.859 3.668 1.00 46.60 ? 620 LYS A CG 1 ATOM 2119 C CD . LYS A 1 279 ? 29.381 8.401 3.250 1.00 49.88 ? 620 LYS A CD 1 ATOM 2120 C CE . LYS A 1 279 ? 28.898 7.773 1.947 1.00 51.99 ? 620 LYS A CE 1 ATOM 2121 N NZ . LYS A 1 279 ? 29.627 8.328 0.772 1.00 53.11 ? 620 LYS A NZ 1 ATOM 2122 N N . ASN A 1 280 ? 33.869 9.205 5.015 1.00 45.60 ? 621 ASN A N 1 ATOM 2123 C CA . ASN A 1 280 ? 35.011 9.711 4.269 1.00 46.76 ? 621 ASN A CA 1 ATOM 2124 C C . ASN A 1 280 ? 36.189 9.956 5.202 1.00 46.85 ? 621 ASN A C 1 ATOM 2125 O O . ASN A 1 280 ? 36.880 10.983 5.119 1.00 46.71 ? 621 ASN A O 1 ATOM 2126 C CB . ASN A 1 280 ? 34.613 10.991 3.521 1.00 47.72 ? 621 ASN A CB 1 ATOM 2127 C CG . ASN A 1 280 ? 34.168 10.715 2.105 1.00 49.27 ? 621 ASN A CG 1 ATOM 2128 O OD1 . ASN A 1 280 ? 33.613 11.581 1.431 1.00 51.07 ? 621 ASN A OD1 1 ATOM 2129 N ND2 . ASN A 1 280 ? 34.402 9.478 1.644 1.00 52.63 ? 621 ASN A ND2 1 ATOM 2130 N N . GLY A 1 281 ? 36.408 9.013 6.114 1.00 46.59 ? 622 GLY A N 1 ATOM 2131 C CA . GLY A 1 281 ? 37.447 9.177 7.115 1.00 46.18 ? 622 GLY A CA 1 ATOM 2132 C C . GLY A 1 281 ? 38.835 8.772 6.676 1.00 45.86 ? 622 GLY A C 1 ATOM 2133 O O . GLY A 1 281 ? 39.004 7.995 5.736 1.00 45.55 ? 622 GLY A O 1 ATOM 2134 N N . LYS A 1 282 ? 39.827 9.290 7.394 1.00 45.70 ? 623 LYS A N 1 ATOM 2135 C CA . LYS A 1 282 ? 41.244 9.032 7.126 1.00 45.15 ? 623 LYS A CA 1 ATOM 2136 C C . LYS A 1 282 ? 41.577 7.557 6.992 1.00 44.87 ? 623 LYS A C 1 ATOM 2137 O O . LYS A 1 282 ? 42.368 7.179 6.127 1.00 44.30 ? 623 LYS A O 1 ATOM 2138 C CB . LYS A 1 282 ? 42.120 9.623 8.234 1.00 45.03 ? 623 LYS A CB 1 ATOM 2139 C CG . LYS A 1 282 ? 42.679 11.037 7.979 1.00 46.89 ? 623 LYS A CG 1 ATOM 2140 C CD . LYS A 1 282 ? 41.598 12.098 7.698 1.00 47.64 ? 623 LYS A CD 1 ATOM 2141 C CE . LYS A 1 282 ? 42.232 13.506 7.613 1.00 49.74 ? 623 LYS A CE 1 ATOM 2142 N NZ . LYS A 1 282 ? 41.255 14.670 7.368 1.00 47.73 ? 623 LYS A NZ 1 ATOM 2143 N N . ASN A 1 283 ? 40.984 6.720 7.836 1.00 44.18 ? 624 ASN A N 1 ATOM 2144 C CA . ASN A 1 283 ? 41.295 5.304 7.784 1.00 44.42 ? 624 ASN A CA 1 ATOM 2145 C C . ASN A 1 283 ? 40.125 4.358 7.554 1.00 44.13 ? 624 ASN A C 1 ATOM 2146 O O . ASN A 1 283 ? 40.243 3.164 7.824 1.00 44.04 ? 624 ASN A O 1 ATOM 2147 C CB . ASN A 1 283 ? 42.008 4.898 9.065 1.00 44.52 ? 624 ASN A CB 1 ATOM 2148 C CG . ASN A 1 283 ? 43.176 5.810 9.395 1.00 46.25 ? 624 ASN A CG 1 ATOM 2149 O OD1 . ASN A 1 283 ? 44.000 6.126 8.530 1.00 46.77 ? 624 ASN A OD1 1 ATOM 2150 N ND2 . ASN A 1 283 ? 43.254 6.242 10.651 1.00 46.59 ? 624 ASN A ND2 1 ATOM 2151 N N . CYS A 1 284 ? 39.009 4.858 7.037 1.00 44.14 ? 625 CYS A N 1 ATOM 2152 C CA . CYS A 1 284 ? 37.823 4.002 6.960 1.00 44.46 ? 625 CYS A CA 1 ATOM 2153 C C . CYS A 1 284 ? 37.968 2.796 6.035 1.00 46.32 ? 625 CYS A C 1 ATOM 2154 O O . CYS A 1 284 ? 38.073 1.643 6.510 1.00 47.30 ? 625 CYS A O 1 ATOM 2155 C CB . CYS A 1 284 ? 36.548 4.780 6.666 1.00 43.70 ? 625 CYS A CB 1 ATOM 2156 S SG . CYS A 1 284 ? 35.282 3.771 5.904 1.00 38.34 ? 625 CYS A SG 1 ATOM 2157 N N . PRO A 1 285 ? 37.969 3.018 4.727 1.00 46.24 ? 626 PRO A N 1 ATOM 2158 C CA . PRO A 1 285 ? 38.072 1.884 3.820 1.00 46.11 ? 626 PRO A CA 1 ATOM 2159 C C . PRO A 1 285 ? 39.313 1.064 4.158 1.00 46.67 ? 626 PRO A C 1 ATOM 2160 O O . PRO A 1 285 ? 39.233 -0.159 4.248 1.00 46.70 ? 626 PRO A O 1 ATOM 2161 C CB . PRO A 1 285 ? 38.221 2.543 2.450 1.00 46.01 ? 626 PRO A CB 1 ATOM 2162 C CG . PRO A 1 285 ? 37.583 3.859 2.606 1.00 47.00 ? 626 PRO A CG 1 ATOM 2163 C CD . PRO A 1 285 ? 37.870 4.311 4.030 1.00 46.14 ? 626 PRO A CD 1 ATOM 2164 N N . ASP A 1 286 ? 40.440 1.728 4.396 1.00 47.01 ? 627 ASP A N 1 ATOM 2165 C CA . ASP A 1 286 ? 41.698 1.000 4.523 1.00 47.37 ? 627 ASP A CA 1 ATOM 2166 C C . ASP A 1 286 ? 41.949 0.267 5.818 1.00 46.60 ? 627 ASP A C 1 ATOM 2167 O O . ASP A 1 286 ? 42.457 -0.853 5.805 1.00 46.86 ? 627 ASP A O 1 ATOM 2168 C CB . ASP A 1 286 ? 42.876 1.895 4.169 1.00 48.14 ? 627 ASP A CB 1 ATOM 2169 C CG . ASP A 1 286 ? 42.858 2.307 2.714 1.00 49.95 ? 627 ASP A CG 1 ATOM 2170 O OD1 . ASP A 1 286 ? 42.620 1.409 1.866 1.00 53.78 ? 627 ASP A OD1 1 ATOM 2171 O OD2 . ASP A 1 286 ? 43.066 3.493 2.332 1.00 51.86 ? 627 ASP A OD2 1 ATOM 2172 N N . LYS A 1 287 ? 41.603 0.877 6.942 1.00 45.42 ? 628 LYS A N 1 ATOM 2173 C CA . LYS A 1 287 ? 41.849 0.203 8.206 1.00 43.89 ? 628 LYS A CA 1 ATOM 2174 C C . LYS A 1 287 ? 40.596 -0.246 8.951 1.00 42.14 ? 628 LYS A C 1 ATOM 2175 O O . LYS A 1 287 ? 40.473 -1.433 9.283 1.00 41.50 ? 628 LYS A O 1 ATOM 2176 C CB . LYS A 1 287 ? 42.777 1.025 9.089 1.00 44.58 ? 628 LYS A CB 1 ATOM 2177 C CG . LYS A 1 287 ? 44.107 1.294 8.395 1.00 47.45 ? 628 LYS A CG 1 ATOM 2178 C CD . LYS A 1 287 ? 45.205 1.628 9.388 1.00 53.40 ? 628 LYS A CD 1 ATOM 2179 C CE . LYS A 1 287 ? 45.618 0.387 10.200 1.00 56.70 ? 628 LYS A CE 1 ATOM 2180 N NZ . LYS A 1 287 ? 46.893 0.608 10.978 1.00 58.20 ? 628 LYS A NZ 1 ATOM 2181 N N . PHE A 1 288 ? 39.673 0.684 9.201 1.00 39.36 ? 629 PHE A N 1 ATOM 2182 C CA . PHE A 1 288 ? 38.436 0.359 9.943 1.00 36.84 ? 629 PHE A CA 1 ATOM 2183 C C . PHE A 1 288 ? 37.330 1.363 9.653 1.00 35.03 ? 629 PHE A C 1 ATOM 2184 O O . PHE A 1 288 ? 37.573 2.551 9.665 1.00 34.50 ? 629 PHE A O 1 ATOM 2185 C CB . PHE A 1 288 ? 38.711 0.328 11.449 1.00 35.56 ? 629 PHE A CB 1 ATOM 2186 C CG . PHE A 1 288 ? 37.478 0.121 12.276 1.00 35.08 ? 629 PHE A CG 1 ATOM 2187 C CD1 . PHE A 1 288 ? 36.891 -1.146 12.382 1.00 33.73 ? 629 PHE A CD1 1 ATOM 2188 C CD2 . PHE A 1 288 ? 36.893 1.183 12.942 1.00 31.32 ? 629 PHE A CD2 1 ATOM 2189 C CE1 . PHE A 1 288 ? 35.739 -1.335 13.154 1.00 30.48 ? 629 PHE A CE1 1 ATOM 2190 C CE2 . PHE A 1 288 ? 35.773 1.001 13.689 1.00 30.37 ? 629 PHE A CE2 1 ATOM 2191 C CZ . PHE A 1 288 ? 35.183 -0.259 13.797 1.00 31.57 ? 629 PHE A CZ 1 ATOM 2192 N N . CYS A 1 289 ? 36.131 0.873 9.361 1.00 33.98 ? 630 CYS A N 1 ATOM 2193 C CA . CYS A 1 289 ? 34.979 1.721 9.100 1.00 33.41 ? 630 CYS A CA 1 ATOM 2194 C C . CYS A 1 289 ? 33.923 1.520 10.187 1.00 32.33 ? 630 CYS A C 1 ATOM 2195 O O . CYS A 1 289 ? 33.361 0.436 10.322 1.00 31.38 ? 630 CYS A O 1 ATOM 2196 C CB . CYS A 1 289 ? 34.372 1.444 7.720 1.00 33.62 ? 630 CYS A CB 1 ATOM 2197 S SG . CYS A 1 289 ? 35.459 1.820 6.341 1.00 36.61 ? 630 CYS A SG 1 ATOM 2198 N N . LEU A 1 290 ? 33.660 2.584 10.939 1.00 31.40 ? 631 LEU A N 1 ATOM 2199 C CA . LEU A 1 290 ? 32.697 2.560 12.033 1.00 31.25 ? 631 LEU A CA 1 ATOM 2200 C C . LEU A 1 290 ? 31.314 2.142 11.590 1.00 30.50 ? 631 LEU A C 1 ATOM 2201 O O . LEU A 1 290 ? 30.633 1.387 12.280 1.00 29.11 ? 631 LEU A O 1 ATOM 2202 C CB . LEU A 1 290 ? 32.560 3.961 12.628 1.00 31.29 ? 631 LEU A CB 1 ATOM 2203 C CG . LEU A 1 290 ? 32.820 4.079 14.140 1.00 32.87 ? 631 LEU A CG 1 ATOM 2204 C CD1 . LEU A 1 290 ? 32.273 5.403 14.666 1.00 31.10 ? 631 LEU A CD1 1 ATOM 2205 C CD2 . LEU A 1 290 ? 32.304 2.885 14.944 1.00 29.32 ? 631 LEU A CD2 1 ATOM 2206 N N . PHE A 1 291 ? 30.891 2.674 10.450 1.00 30.31 ? 632 PHE A N 1 ATOM 2207 C CA . PHE A 1 291 ? 29.546 2.456 9.963 1.00 30.81 ? 632 PHE A CA 1 ATOM 2208 C C . PHE A 1 291 ? 29.350 1.254 9.057 1.00 31.58 ? 632 PHE A C 1 ATOM 2209 O O . PHE A 1 291 ? 28.361 1.179 8.342 1.00 32.18 ? 632 PHE A O 1 ATOM 2210 C CB . PHE A 1 291 ? 29.045 3.715 9.303 1.00 30.46 ? 632 PHE A CB 1 ATOM 2211 C CG . PHE A 1 291 ? 29.181 4.925 10.180 1.00 30.90 ? 632 PHE A CG 1 ATOM 2212 C CD1 . PHE A 1 291 ? 28.823 4.859 11.520 1.00 28.71 ? 632 PHE A CD1 1 ATOM 2213 C CD2 . PHE A 1 291 ? 29.677 6.117 9.671 1.00 30.61 ? 632 PHE A CD2 1 ATOM 2214 C CE1 . PHE A 1 291 ? 28.974 5.924 12.336 1.00 28.69 ? 632 PHE A CE1 1 ATOM 2215 C CE2 . PHE A 1 291 ? 29.809 7.206 10.473 1.00 30.53 ? 632 PHE A CE2 1 ATOM 2216 C CZ . PHE A 1 291 ? 29.459 7.115 11.823 1.00 32.80 ? 632 PHE A CZ 1 ATOM 2217 N N . LYS A 1 292 ? 30.259 0.299 9.101 1.00 32.64 ? 633 LYS A N 1 ATOM 2218 C CA . LYS A 1 292 ? 30.073 -0.920 8.331 1.00 34.92 ? 633 LYS A CA 1 ATOM 2219 C C . LYS A 1 292 ? 30.066 -2.154 9.228 1.00 36.06 ? 633 LYS A C 1 ATOM 2220 O O . LYS A 1 292 ? 30.811 -2.205 10.212 1.00 36.28 ? 633 LYS A O 1 ATOM 2221 C CB . LYS A 1 292 ? 31.180 -1.079 7.285 1.00 34.70 ? 633 LYS A CB 1 ATOM 2222 C CG . LYS A 1 292 ? 30.809 -0.608 5.888 1.00 37.06 ? 633 LYS A CG 1 ATOM 2223 C CD . LYS A 1 292 ? 30.602 0.906 5.835 1.00 41.63 ? 633 LYS A CD 1 ATOM 2224 C CE . LYS A 1 292 ? 29.125 1.291 5.627 1.00 44.42 ? 633 LYS A CE 1 ATOM 2225 N NZ . LYS A 1 292 ? 28.975 2.798 5.525 1.00 46.21 ? 633 LYS A NZ 1 ATOM 2226 N N . SER A 1 293 ? 29.235 -3.134 8.873 1.00 37.33 ? 634 SER A N 1 ATOM 2227 C CA . SER A 1 293 ? 29.152 -4.434 9.547 1.00 39.28 ? 634 SER A CA 1 ATOM 2228 C C . SER A 1 293 ? 28.325 -5.461 8.720 1.00 41.03 ? 634 SER A C 1 ATOM 2229 O O . SER A 1 293 ? 27.444 -6.158 9.249 1.00 42.00 ? 634 SER A O 1 ATOM 2230 C CB . SER A 1 293 ? 28.578 -4.298 10.957 1.00 38.95 ? 634 SER A CB 1 ATOM 2231 O OG . SER A 1 293 ? 27.331 -3.637 10.949 1.00 37.80 ? 634 SER A OG 1 ATOM 2232 N N . GLU A 1 294 ? 28.593 -5.531 7.421 1.00 42.05 ? 635 GLU A N 1 ATOM 2233 C CA . GLU A 1 294 ? 27.921 -6.491 6.526 1.00 43.50 ? 635 GLU A CA 1 ATOM 2234 C C . GLU A 1 294 ? 26.416 -6.678 6.720 1.00 42.83 ? 635 GLU A C 1 ATOM 2235 O O . GLU A 1 294 ? 25.967 -7.794 6.960 1.00 42.82 ? 635 GLU A O 1 ATOM 2236 C CB . GLU A 1 294 ? 28.628 -7.863 6.555 1.00 43.91 ? 635 GLU A CB 1 ATOM 2237 C CG . GLU A 1 294 ? 28.924 -8.413 7.951 1.00 48.12 ? 635 GLU A CG 1 ATOM 2238 C CD . GLU A 1 294 ? 29.738 -9.700 7.956 1.00 50.88 ? 635 GLU A CD 1 ATOM 2239 O OE1 . GLU A 1 294 ? 30.876 -9.695 7.426 1.00 52.73 ? 635 GLU A OE1 1 ATOM 2240 O OE2 . GLU A 1 294 ? 29.240 -10.717 8.506 1.00 52.65 ? 635 GLU A OE2 1 ATOM 2241 N N . THR A 1 295 ? 25.654 -5.587 6.625 1.00 42.02 ? 636 THR A N 1 ATOM 2242 C CA . THR A 1 295 ? 24.183 -5.614 6.716 1.00 40.71 ? 636 THR A CA 1 ATOM 2243 C C . THR A 1 295 ? 23.623 -5.969 8.103 1.00 38.89 ? 636 THR A C 1 ATOM 2244 O O . THR A 1 295 ? 22.410 -6.140 8.286 1.00 39.63 ? 636 THR A O 1 ATOM 2245 C CB . THR A 1 295 ? 23.590 -6.544 5.616 1.00 41.43 ? 636 THR A CB 1 ATOM 2246 O OG1 . THR A 1 295 ? 22.316 -6.044 5.172 1.00 42.44 ? 636 THR A OG1 1 ATOM 2247 C CG2 . THR A 1 295 ? 23.261 -7.932 6.178 1.00 41.63 ? 636 THR A CG2 1 ATOM 2248 N N . LYS A 1 296 ? 24.510 -6.033 9.083 1.00 35.78 ? 637 LYS A N 1 ATOM 2249 C CA . LYS A 1 296 ? 24.163 -6.451 10.424 1.00 32.77 ? 637 LYS A CA 1 ATOM 2250 C C . LYS A 1 296 ? 23.875 -5.292 11.399 1.00 29.84 ? 637 LYS A C 1 ATOM 2251 O O . LYS A 1 296 ? 23.315 -5.510 12.472 1.00 28.12 ? 637 LYS A O 1 ATOM 2252 C CB . LYS A 1 296 ? 25.275 -7.354 10.950 1.00 33.31 ? 637 LYS A CB 1 ATOM 2253 C CG . LYS A 1 296 ? 25.326 -8.698 10.230 1.00 37.34 ? 637 LYS A CG 1 ATOM 2254 C CD . LYS A 1 296 ? 26.697 -9.370 10.312 1.00 43.08 ? 637 LYS A CD 1 ATOM 2255 C CE . LYS A 1 296 ? 27.022 -9.780 11.742 1.00 46.68 ? 637 LYS A CE 1 ATOM 2256 N NZ . LYS A 1 296 ? 26.689 -11.205 12.060 1.00 50.62 ? 637 LYS A NZ 1 ATOM 2257 N N . ASN A 1 297 ? 24.223 -4.072 10.998 1.00 26.22 ? 638 ASN A N 1 ATOM 2258 C CA . ASN A 1 297 ? 23.902 -2.874 11.785 1.00 23.98 ? 638 ASN A CA 1 ATOM 2259 C C . ASN A 1 297 ? 24.385 -2.967 13.229 1.00 22.15 ? 638 ASN A C 1 ATOM 2260 O O . ASN A 1 297 ? 23.593 -2.777 14.177 1.00 22.23 ? 638 ASN A O 1 ATOM 2261 C CB . ASN A 1 297 ? 22.388 -2.650 11.833 1.00 24.04 ? 638 ASN A CB 1 ATOM 2262 C CG . ASN A 1 297 ? 21.764 -2.394 10.470 1.00 23.36 ? 638 ASN A CG 1 ATOM 2263 O OD1 . ASN A 1 297 ? 20.666 -2.933 10.148 1.00 25.04 ? 638 ASN A OD1 1 ATOM 2264 N ND2 . ASN A 1 297 ? 22.398 -1.541 9.687 1.00 22.67 ? 638 ASN A ND2 1 ATOM 2265 N N . LEU A 1 298 ? 25.673 -3.242 13.392 1.00 19.94 ? 639 LEU A N 1 ATOM 2266 C CA . LEU A 1 298 ? 26.299 -3.436 14.686 1.00 18.95 ? 639 LEU A CA 1 ATOM 2267 C C . LEU A 1 298 ? 26.824 -2.095 15.192 1.00 17.69 ? 639 LEU A C 1 ATOM 2268 O O . LEU A 1 298 ? 27.612 -1.465 14.537 1.00 17.31 ? 639 LEU A O 1 ATOM 2269 C CB . LEU A 1 298 ? 27.449 -4.469 14.599 1.00 17.87 ? 639 LEU A CB 1 ATOM 2270 C CG . LEU A 1 298 ? 27.056 -5.889 14.201 1.00 21.12 ? 639 LEU A CG 1 ATOM 2271 C CD1 . LEU A 1 298 ? 28.277 -6.859 14.174 1.00 17.65 ? 639 LEU A CD1 1 ATOM 2272 C CD2 . LEU A 1 298 ? 25.987 -6.448 15.188 1.00 23.29 ? 639 LEU A CD2 1 ATOM 2273 N N . LEU A 1 299 ? 26.361 -1.677 16.358 1.00 17.45 ? 640 LEU A N 1 ATOM 2274 C CA . LEU A 1 299 ? 26.714 -0.399 17.002 1.00 18.29 ? 640 LEU A CA 1 ATOM 2275 C C . LEU A 1 299 ? 26.004 0.775 16.384 1.00 18.39 ? 640 LEU A C 1 ATOM 2276 O O . LEU A 1 299 ? 25.489 1.608 17.114 1.00 18.80 ? 640 LEU A O 1 ATOM 2277 C CB . LEU A 1 299 ? 28.228 -0.118 17.120 1.00 18.29 ? 640 LEU A CB 1 ATOM 2278 C CG . LEU A 1 299 ? 29.165 -1.172 17.796 1.00 19.04 ? 640 LEU A CG 1 ATOM 2279 C CD1 . LEU A 1 299 ? 30.575 -0.588 17.794 1.00 18.18 ? 640 LEU A CD1 1 ATOM 2280 C CD2 . LEU A 1 299 ? 28.802 -1.523 19.235 1.00 15.75 ? 640 LEU A CD2 1 ATOM 2281 N N . PHE A 1 300 ? 26.006 0.832 15.056 1.00 17.31 ? 641 PHE A N 1 ATOM 2282 C CA . PHE A 1 300 ? 25.386 1.881 14.263 1.00 16.97 ? 641 PHE A CA 1 ATOM 2283 C C . PHE A 1 300 ? 24.695 1.175 13.103 1.00 16.91 ? 641 PHE A C 1 ATOM 2284 O O . PHE A 1 300 ? 25.072 0.057 12.756 1.00 17.40 ? 641 PHE A O 1 ATOM 2285 C CB . PHE A 1 300 ? 26.471 2.850 13.722 1.00 16.88 ? 641 PHE A CB 1 ATOM 2286 C CG . PHE A 1 300 ? 27.192 3.571 14.802 1.00 16.13 ? 641 PHE A CG 1 ATOM 2287 C CD1 . PHE A 1 300 ? 26.585 4.629 15.461 1.00 19.71 ? 641 PHE A CD1 1 ATOM 2288 C CD2 . PHE A 1 300 ? 28.441 3.158 15.206 1.00 16.93 ? 641 PHE A CD2 1 ATOM 2289 C CE1 . PHE A 1 300 ? 27.226 5.282 16.525 1.00 17.59 ? 641 PHE A CE1 1 ATOM 2290 C CE2 . PHE A 1 300 ? 29.101 3.790 16.245 1.00 16.89 ? 641 PHE A CE2 1 ATOM 2291 C CZ . PHE A 1 300 ? 28.502 4.881 16.904 1.00 17.59 ? 641 PHE A CZ 1 ATOM 2292 N N . ASN A 1 301 ? 23.683 1.801 12.534 1.00 16.01 ? 642 ASN A N 1 ATOM 2293 C CA . ASN A 1 301 ? 23.062 1.312 11.331 1.00 18.46 ? 642 ASN A CA 1 ATOM 2294 C C . ASN A 1 301 ? 24.068 1.452 10.172 1.00 19.82 ? 642 ASN A C 1 ATOM 2295 O O . ASN A 1 301 ? 24.827 2.433 10.123 1.00 19.69 ? 642 ASN A O 1 ATOM 2296 C CB . ASN A 1 301 ? 21.791 2.141 11.006 1.00 17.57 ? 642 ASN A CB 1 ATOM 2297 C CG . ASN A 1 301 ? 20.596 1.752 11.881 1.00 20.57 ? 642 ASN A CG 1 ATOM 2298 O OD1 . ASN A 1 301 ? 20.293 0.570 12.037 1.00 17.79 ? 642 ASN A OD1 1 ATOM 2299 N ND2 . ASN A 1 301 ? 19.935 2.744 12.472 1.00 18.62 ? 642 ASN A ND2 1 ATOM 2300 N N . ASP A 1 302 ? 24.083 0.468 9.262 1.00 21.47 ? 643 ASP A N 1 ATOM 2301 C CA . ASP A 1 302 ? 25.018 0.462 8.121 1.00 23.28 ? 643 ASP A CA 1 ATOM 2302 C C . ASP A 1 302 ? 24.785 1.588 7.108 1.00 24.07 ? 643 ASP A C 1 ATOM 2303 O O . ASP A 1 302 ? 25.691 1.945 6.370 1.00 25.28 ? 643 ASP A O 1 ATOM 2304 C CB . ASP A 1 302 ? 24.964 -0.865 7.369 1.00 23.38 ? 643 ASP A CB 1 ATOM 2305 C CG . ASP A 1 302 ? 25.642 -2.000 8.123 1.00 25.94 ? 643 ASP A CG 1 ATOM 2306 O OD1 . ASP A 1 302 ? 26.347 -1.777 9.124 1.00 31.69 ? 643 ASP A OD1 1 ATOM 2307 O OD2 . ASP A 1 302 ? 25.499 -3.177 7.800 1.00 32.69 ? 643 ASP A OD2 1 ATOM 2308 N N . ASN A 1 303 ? 23.569 2.096 7.015 1.00 23.98 ? 644 ASN A N 1 ATOM 2309 C CA . ASN A 1 303 ? 23.316 3.190 6.103 1.00 25.28 ? 644 ASN A CA 1 ATOM 2310 C C . ASN A 1 303 ? 23.613 4.569 6.716 1.00 25.99 ? 644 ASN A C 1 ATOM 2311 O O . ASN A 1 303 ? 23.134 5.582 6.232 1.00 26.63 ? 644 ASN A O 1 ATOM 2312 C CB . ASN A 1 303 ? 21.880 3.158 5.663 1.00 25.18 ? 644 ASN A CB 1 ATOM 2313 C CG . ASN A 1 303 ? 20.922 3.519 6.795 1.00 27.55 ? 644 ASN A CG 1 ATOM 2314 O OD1 . ASN A 1 303 ? 21.347 3.821 7.920 1.00 24.03 ? 644 ASN A OD1 1 ATOM 2315 N ND2 . ASN A 1 303 ? 19.626 3.497 6.501 1.00 26.57 ? 644 ASN A ND2 1 ATOM 2316 N N . THR A 1 304 ? 24.402 4.622 7.779 1.00 25.88 ? 645 THR A N 1 ATOM 2317 C CA . THR A 1 304 ? 24.695 5.905 8.403 1.00 25.66 ? 645 THR A CA 1 ATOM 2318 C C . THR A 1 304 ? 25.785 6.694 7.662 1.00 26.25 ? 645 THR A C 1 ATOM 2319 O O . THR A 1 304 ? 26.871 6.195 7.477 1.00 24.75 ? 645 THR A O 1 ATOM 2320 C CB . THR A 1 304 ? 25.178 5.671 9.852 1.00 25.56 ? 645 THR A CB 1 ATOM 2321 O OG1 . THR A 1 304 ? 24.157 5.036 10.631 1.00 26.52 ? 645 THR A OG1 1 ATOM 2322 C CG2 . THR A 1 304 ? 25.383 7.008 10.559 1.00 24.56 ? 645 THR A CG2 1 ATOM 2323 N N . GLU A 1 305 ? 25.504 7.943 7.297 1.00 27.25 ? 646 GLU A N 1 ATOM 2324 C CA . GLU A 1 305 ? 26.476 8.787 6.617 1.00 29.00 ? 646 GLU A CA 1 ATOM 2325 C C . GLU A 1 305 ? 27.411 9.411 7.661 1.00 28.66 ? 646 GLU A C 1 ATOM 2326 O O . GLU A 1 305 ? 28.655 9.440 7.515 1.00 29.33 ? 646 GLU A O 1 ATOM 2327 C CB . GLU A 1 305 ? 25.737 9.881 5.796 1.00 29.95 ? 646 GLU A CB 1 ATOM 2328 C CG . GLU A 1 305 ? 26.613 10.495 4.706 1.00 36.34 ? 646 GLU A CG 1 ATOM 2329 C CD . GLU A 1 305 ? 26.170 11.867 4.219 1.00 41.86 ? 646 GLU A CD 1 ATOM 2330 O OE1 . GLU A 1 305 ? 24.964 12.069 3.978 1.00 42.83 ? 646 GLU A OE1 1 ATOM 2331 O OE2 . GLU A 1 305 ? 27.055 12.744 4.039 1.00 47.32 ? 646 GLU A OE2 1 ATOM 2332 N N . CYS A 1 306 ? 26.810 9.910 8.733 1.00 27.02 ? 647 CYS A N 1 ATOM 2333 C CA . CYS A 1 306 ? 27.567 10.468 9.843 1.00 26.29 ? 647 CYS A CA 1 ATOM 2334 C C . CYS A 1 306 ? 26.675 10.617 11.057 1.00 24.83 ? 647 CYS A C 1 ATOM 2335 O O . CYS A 1 306 ? 25.454 10.436 10.991 1.00 24.44 ? 647 CYS A O 1 ATOM 2336 C CB . CYS A 1 306 ? 28.080 11.879 9.504 1.00 26.10 ? 647 CYS A CB 1 ATOM 2337 S SG . CYS A 1 306 ? 26.769 13.123 9.471 1.00 29.68 ? 647 CYS A SG 1 ATOM 2338 N N . LEU A 1 307 ? 27.318 10.997 12.148 1.00 23.97 ? 648 LEU A N 1 ATOM 2339 C CA . LEU A 1 307 ? 26.652 11.383 13.352 1.00 23.78 ? 648 LEU A CA 1 ATOM 2340 C C . LEU A 1 307 ? 26.611 12.905 13.292 1.00 25.39 ? 648 LEU A C 1 ATOM 2341 O O . LEU A 1 307 ? 27.663 13.573 13.113 1.00 23.99 ? 648 LEU A O 1 ATOM 2342 C CB . LEU A 1 307 ? 27.455 10.951 14.559 1.00 22.94 ? 648 LEU A CB 1 ATOM 2343 C CG . LEU A 1 307 ? 27.674 9.451 14.662 1.00 22.58 ? 648 LEU A CG 1 ATOM 2344 C CD1 . LEU A 1 307 ? 28.615 9.166 15.820 1.00 25.25 ? 648 LEU A CD1 1 ATOM 2345 C CD2 . LEU A 1 307 ? 26.318 8.775 14.865 1.00 20.05 ? 648 LEU A CD2 1 ATOM 2346 N N . ALA A 1 308 ? 25.410 13.437 13.490 1.00 25.46 ? 649 ALA A N 1 ATOM 2347 C CA . ALA A 1 308 ? 25.168 14.858 13.403 1.00 26.71 ? 649 ALA A CA 1 ATOM 2348 C C . ALA A 1 308 ? 24.896 15.527 14.757 1.00 28.23 ? 649 ALA A C 1 ATOM 2349 O O . ALA A 1 308 ? 24.273 14.924 15.659 1.00 27.89 ? 649 ALA A O 1 ATOM 2350 C CB . ALA A 1 308 ? 24.013 15.089 12.481 1.00 25.71 ? 649 ALA A CB 1 ATOM 2351 N N . LYS A 1 309 ? 25.351 16.776 14.889 1.00 28.76 ? 650 LYS A N 1 ATOM 2352 C CA . LYS A 1 309 ? 25.052 17.570 16.090 1.00 30.77 ? 650 LYS A CA 1 ATOM 2353 C C . LYS A 1 309 ? 23.564 17.863 16.095 1.00 31.00 ? 650 LYS A C 1 ATOM 2354 O O . LYS A 1 309 ? 22.957 17.913 15.048 1.00 32.66 ? 650 LYS A O 1 ATOM 2355 C CB . LYS A 1 309 ? 25.868 18.881 16.137 1.00 30.90 ? 650 LYS A CB 1 ATOM 2356 C CG . LYS A 1 309 ? 27.399 18.693 16.035 1.00 31.78 ? 650 LYS A CG 1 ATOM 2357 C CD . LYS A 1 309 ? 28.130 20.018 16.164 1.00 35.79 ? 650 LYS A CD 1 ATOM 2358 C CE . LYS A 1 309 ? 29.638 19.893 15.834 1.00 37.58 ? 650 LYS A CE 1 ATOM 2359 N NZ . LYS A 1 309 ? 30.434 21.061 16.408 1.00 39.39 ? 650 LYS A NZ 1 ATOM 2360 N N . LEU A 1 310 ? 22.971 18.045 17.264 1.00 31.92 ? 651 LEU A N 1 ATOM 2361 C CA . LEU A 1 310 ? 21.524 18.211 17.359 1.00 33.09 ? 651 LEU A CA 1 ATOM 2362 C C . LEU A 1 310 ? 20.923 19.618 17.117 1.00 34.78 ? 651 LEU A C 1 ATOM 2363 O O . LEU A 1 310 ? 19.933 19.768 16.391 1.00 36.83 ? 651 LEU A O 1 ATOM 2364 C CB . LEU A 1 310 ? 21.001 17.605 18.679 1.00 31.69 ? 651 LEU A CB 1 ATOM 2365 C CG . LEU A 1 310 ? 21.261 16.094 18.746 1.00 31.52 ? 651 LEU A CG 1 ATOM 2366 C CD1 . LEU A 1 310 ? 20.605 15.442 19.939 1.00 29.65 ? 651 LEU A CD1 1 ATOM 2367 C CD2 . LEU A 1 310 ? 20.782 15.445 17.472 1.00 27.53 ? 651 LEU A CD2 1 ATOM 2368 N N . GLY A 1 311 ? 21.450 20.645 17.738 1.00 35.88 ? 652 GLY A N 1 ATOM 2369 C CA . GLY A 1 311 ? 20.873 21.950 17.471 1.00 36.59 ? 652 GLY A CA 1 ATOM 2370 C C . GLY A 1 311 ? 19.621 22.175 18.274 1.00 37.21 ? 652 GLY A C 1 ATOM 2371 O O . GLY A 1 311 ? 18.589 21.475 18.118 1.00 37.26 ? 652 GLY A O 1 ATOM 2372 N N . GLY A 1 312 ? 19.715 23.178 19.144 1.00 36.44 ? 653 GLY A N 1 ATOM 2373 C CA . GLY A 1 312 ? 18.656 23.498 20.071 1.00 35.15 ? 653 GLY A CA 1 ATOM 2374 C C . GLY A 1 312 ? 18.905 22.741 21.365 1.00 33.90 ? 653 GLY A C 1 ATOM 2375 O O . GLY A 1 312 ? 18.061 22.766 22.242 1.00 34.32 ? 653 GLY A O 1 ATOM 2376 N N . ARG A 1 313 ? 20.066 22.101 21.493 1.00 32.17 ? 654 ARG A N 1 ATOM 2377 C CA . ARG A 1 313 ? 20.359 21.286 22.684 1.00 31.32 ? 654 ARG A CA 1 ATOM 2378 C C . ARG A 1 313 ? 19.072 20.746 23.291 1.00 29.34 ? 654 ARG A C 1 ATOM 2379 O O . ARG A 1 313 ? 18.682 21.130 24.383 1.00 28.34 ? 654 ARG A O 1 ATOM 2380 C CB . ARG A 1 313 ? 21.148 22.078 23.733 1.00 32.33 ? 654 ARG A CB 1 ATOM 2381 C CG . ARG A 1 313 ? 22.577 22.395 23.298 1.00 36.30 ? 654 ARG A CG 1 ATOM 2382 C CD . ARG A 1 313 ? 23.585 22.588 24.423 1.00 39.78 ? 654 ARG A CD 1 ATOM 2383 N NE . ARG A 1 313 ? 24.783 23.318 23.997 1.00 45.41 ? 654 ARG A NE 1 ATOM 2384 C CZ . ARG A 1 313 ? 25.916 22.749 23.544 1.00 49.35 ? 654 ARG A CZ 1 ATOM 2385 N NH1 . ARG A 1 313 ? 26.030 21.421 23.428 1.00 47.76 ? 654 ARG A NH1 1 ATOM 2386 N NH2 . ARG A 1 313 ? 26.948 23.517 23.201 1.00 49.71 ? 654 ARG A NH2 1 ATOM 2387 N N . PRO A 1 314 ? 18.424 19.826 22.577 1.00 28.10 ? 655 PRO A N 1 ATOM 2388 C CA . PRO A 1 314 ? 17.113 19.305 22.989 1.00 26.77 ? 655 PRO A CA 1 ATOM 2389 C C . PRO A 1 314 ? 17.188 18.344 24.172 1.00 25.54 ? 655 PRO A C 1 ATOM 2390 O O . PRO A 1 314 ? 18.146 17.585 24.333 1.00 24.11 ? 655 PRO A O 1 ATOM 2391 C CB . PRO A 1 314 ? 16.634 18.518 21.760 1.00 27.90 ? 655 PRO A CB 1 ATOM 2392 C CG . PRO A 1 314 ? 17.697 18.732 20.683 1.00 29.33 ? 655 PRO A CG 1 ATOM 2393 C CD . PRO A 1 314 ? 18.939 19.207 21.350 1.00 27.50 ? 655 PRO A CD 1 ATOM 2394 N N . THR A 1 315 ? 16.147 18.347 24.989 1.00 24.23 ? 656 THR A N 1 ATOM 2395 C CA . THR A 1 315 ? 16.033 17.331 26.007 1.00 22.69 ? 656 THR A CA 1 ATOM 2396 C C . THR A 1 315 ? 15.629 16.076 25.235 1.00 22.80 ? 656 THR A C 1 ATOM 2397 O O . THR A 1 315 ? 15.467 16.094 24.006 1.00 22.42 ? 656 THR A O 1 ATOM 2398 C CB . THR A 1 315 ? 14.913 17.681 26.979 1.00 22.77 ? 656 THR A CB 1 ATOM 2399 O OG1 . THR A 1 315 ? 13.696 17.721 26.242 1.00 22.18 ? 656 THR A OG1 1 ATOM 2400 C CG2 . THR A 1 315 ? 15.067 19.115 27.495 1.00 21.20 ? 656 THR A CG2 1 ATOM 2401 N N . TYR A 1 316 ? 15.385 14.998 25.952 1.00 22.93 ? 657 TYR A N 1 ATOM 2402 C CA . TYR A 1 316 ? 15.016 13.766 25.296 1.00 23.02 ? 657 TYR A CA 1 ATOM 2403 C C . TYR A 1 316 ? 13.586 13.875 24.724 1.00 23.40 ? 657 TYR A C 1 ATOM 2404 O O . TYR A 1 316 ? 13.277 13.303 23.675 1.00 22.29 ? 657 TYR A O 1 ATOM 2405 C CB . TYR A 1 316 ? 15.195 12.574 26.263 1.00 22.16 ? 657 TYR A CB 1 ATOM 2406 C CG . TYR A 1 316 ? 14.036 12.367 27.163 1.00 21.57 ? 657 TYR A CG 1 ATOM 2407 C CD1 . TYR A 1 316 ? 12.984 11.541 26.789 1.00 24.67 ? 657 TYR A CD1 1 ATOM 2408 C CD2 . TYR A 1 316 ? 13.964 13.006 28.383 1.00 21.32 ? 657 TYR A CD2 1 ATOM 2409 C CE1 . TYR A 1 316 ? 11.896 11.347 27.629 1.00 24.07 ? 657 TYR A CE1 1 ATOM 2410 C CE2 . TYR A 1 316 ? 12.902 12.816 29.219 1.00 20.90 ? 657 TYR A CE2 1 ATOM 2411 C CZ . TYR A 1 316 ? 11.866 12.003 28.833 1.00 26.23 ? 657 TYR A CZ 1 ATOM 2412 O OH . TYR A 1 316 ? 10.791 11.817 29.670 1.00 28.09 ? 657 TYR A OH 1 ATOM 2413 N N . GLU A 1 317 ? 12.723 14.635 25.404 1.00 23.97 ? 658 GLU A N 1 ATOM 2414 C CA . GLU A 1 317 ? 11.349 14.782 24.928 1.00 24.31 ? 658 GLU A CA 1 ATOM 2415 C C . GLU A 1 317 ? 11.277 15.596 23.655 1.00 22.14 ? 658 GLU A C 1 ATOM 2416 O O . GLU A 1 317 ? 10.509 15.276 22.759 1.00 21.09 ? 658 GLU A O 1 ATOM 2417 C CB . GLU A 1 317 ? 10.453 15.415 25.989 1.00 25.48 ? 658 GLU A CB 1 ATOM 2418 C CG . GLU A 1 317 ? 10.264 14.576 27.239 1.00 30.85 ? 658 GLU A CG 1 ATOM 2419 C CD . GLU A 1 317 ? 9.283 15.235 28.196 1.00 39.92 ? 658 GLU A CD 1 ATOM 2420 O OE1 . GLU A 1 317 ? 9.458 16.444 28.499 1.00 43.01 ? 658 GLU A OE1 1 ATOM 2421 O OE2 . GLU A 1 317 ? 8.317 14.552 28.626 1.00 42.48 ? 658 GLU A OE2 1 ATOM 2422 N N . GLU A 1 318 ? 12.082 16.650 23.603 1.00 21.05 ? 659 GLU A N 1 ATOM 2423 C CA . GLU A 1 318 ? 12.169 17.512 22.444 1.00 20.60 ? 659 GLU A CA 1 ATOM 2424 C C . GLU A 1 318 ? 12.746 16.748 21.263 1.00 20.34 ? 659 GLU A C 1 ATOM 2425 O O . GLU A 1 318 ? 12.314 16.934 20.125 1.00 19.55 ? 659 GLU A O 1 ATOM 2426 C CB . GLU A 1 318 ? 13.034 18.731 22.716 1.00 19.74 ? 659 GLU A CB 1 ATOM 2427 C CG . GLU A 1 318 ? 12.444 19.795 23.651 1.00 19.01 ? 659 GLU A CG 1 ATOM 2428 C CD . GLU A 1 318 ? 13.430 20.907 23.895 1.00 19.16 ? 659 GLU A CD 1 ATOM 2429 O OE1 . GLU A 1 318 ? 14.597 20.606 24.248 1.00 13.91 ? 659 GLU A OE1 1 ATOM 2430 O OE2 . GLU A 1 318 ? 13.067 22.095 23.669 1.00 23.10 ? 659 GLU A OE2 1 ATOM 2431 N N . TYR A 1 319 ? 13.706 15.878 21.537 1.00 20.13 ? 660 TYR A N 1 ATOM 2432 C CA . TYR A 1 319 ? 14.338 15.100 20.476 1.00 20.56 ? 660 TYR A CA 1 ATOM 2433 C C . TYR A 1 319 ? 13.343 14.101 19.842 1.00 20.43 ? 660 TYR A C 1 ATOM 2434 O O . TYR A 1 319 ? 13.344 13.942 18.647 1.00 19.46 ? 660 TYR A O 1 ATOM 2435 C CB . TYR A 1 319 ? 15.590 14.318 20.970 1.00 20.96 ? 660 TYR A CB 1 ATOM 2436 C CG . TYR A 1 319 ? 16.191 13.513 19.830 1.00 21.80 ? 660 TYR A CG 1 ATOM 2437 C CD1 . TYR A 1 319 ? 17.008 14.118 18.902 1.00 22.53 ? 660 TYR A CD1 1 ATOM 2438 C CD2 . TYR A 1 319 ? 15.848 12.179 19.626 1.00 20.84 ? 660 TYR A CD2 1 ATOM 2439 C CE1 . TYR A 1 319 ? 17.508 13.425 17.837 1.00 22.41 ? 660 TYR A CE1 1 ATOM 2440 C CE2 . TYR A 1 319 ? 16.331 11.487 18.581 1.00 18.56 ? 660 TYR A CE2 1 ATOM 2441 C CZ . TYR A 1 319 ? 17.168 12.107 17.682 1.00 21.21 ? 660 TYR A CZ 1 ATOM 2442 O OH . TYR A 1 319 ? 17.672 11.411 16.619 1.00 18.19 ? 660 TYR A OH 1 ATOM 2443 N N . LEU A 1 320 ? 12.524 13.448 20.662 1.00 20.42 ? 661 LEU A N 1 ATOM 2444 C CA . LEU A 1 320 ? 11.607 12.438 20.189 1.00 22.12 ? 661 LEU A CA 1 ATOM 2445 C C . LEU A 1 320 ? 10.339 13.117 19.610 1.00 23.68 ? 661 LEU A C 1 ATOM 2446 O O . LEU A 1 320 ? 9.637 12.565 18.761 1.00 23.50 ? 661 LEU A O 1 ATOM 2447 C CB . LEU A 1 320 ? 11.287 11.435 21.329 1.00 21.03 ? 661 LEU A CB 1 ATOM 2448 C CG . LEU A 1 320 ? 12.442 10.563 21.867 1.00 20.23 ? 661 LEU A CG 1 ATOM 2449 C CD1 . LEU A 1 320 ? 11.930 9.547 22.890 1.00 16.60 ? 661 LEU A CD1 1 ATOM 2450 C CD2 . LEU A 1 320 ? 13.244 9.826 20.752 1.00 17.59 ? 661 LEU A CD2 1 ATOM 2451 N N . GLY A 1 321 ? 10.076 14.339 20.056 1.00 26.29 ? 662 GLY A N 1 ATOM 2452 C CA . GLY A 1 321 ? 8.955 15.123 19.563 1.00 27.62 ? 662 GLY A CA 1 ATOM 2453 C C . GLY A 1 321 ? 7.704 14.783 20.347 1.00 29.69 ? 662 GLY A C 1 ATOM 2454 O O . GLY A 1 321 ? 7.521 13.640 20.789 1.00 29.81 ? 662 GLY A O 1 ATOM 2455 N N . THR A 1 322 ? 6.807 15.758 20.474 1.00 31.35 ? 663 THR A N 1 ATOM 2456 C CA . THR A 1 322 ? 5.560 15.579 21.226 1.00 33.06 ? 663 THR A CA 1 ATOM 2457 C C . THR A 1 322 ? 4.656 14.492 20.637 1.00 33.67 ? 663 THR A C 1 ATOM 2458 O O . THR A 1 322 ? 3.919 13.813 21.346 1.00 34.04 ? 663 THR A O 1 ATOM 2459 C CB . THR A 1 322 ? 4.782 16.925 21.291 1.00 33.27 ? 663 THR A CB 1 ATOM 2460 O OG1 . THR A 1 322 ? 5.632 17.931 21.857 1.00 35.37 ? 663 THR A OG1 1 ATOM 2461 C CG2 . THR A 1 322 ? 3.651 16.843 22.300 1.00 33.26 ? 663 THR A CG2 1 ATOM 2462 N N . GLU A 1 323 ? 4.674 14.325 19.327 1.00 35.49 ? 664 GLU A N 1 ATOM 2463 C CA . GLU A 1 323 ? 3.797 13.290 18.781 1.00 36.90 ? 664 GLU A CA 1 ATOM 2464 C C . GLU A 1 323 ? 4.205 11.893 19.294 1.00 35.83 ? 664 GLU A C 1 ATOM 2465 O O . GLU A 1 323 ? 3.380 11.172 19.876 1.00 36.59 ? 664 GLU A O 1 ATOM 2466 C CB . GLU A 1 323 ? 3.715 13.364 17.245 1.00 38.39 ? 664 GLU A CB 1 ATOM 2467 C CG . GLU A 1 323 ? 2.945 14.588 16.720 1.00 44.80 ? 664 GLU A CG 1 ATOM 2468 C CD . GLU A 1 323 ? 2.443 14.449 15.275 1.00 52.27 ? 664 GLU A CD 1 ATOM 2469 O OE1 . GLU A 1 323 ? 1.692 13.479 14.973 1.00 52.52 ? 664 GLU A OE1 1 ATOM 2470 O OE2 . GLU A 1 323 ? 2.789 15.333 14.439 1.00 55.40 ? 664 GLU A OE2 1 ATOM 2471 N N . TYR A 1 324 ? 5.473 11.535 19.123 1.00 33.82 ? 665 TYR A N 1 ATOM 2472 C CA . TYR A 1 324 ? 5.954 10.200 19.504 1.00 31.89 ? 665 TYR A CA 1 ATOM 2473 C C . TYR A 1 324 ? 5.864 9.898 20.999 1.00 31.52 ? 665 TYR A C 1 ATOM 2474 O O . TYR A 1 324 ? 5.445 8.810 21.389 1.00 30.46 ? 665 TYR A O 1 ATOM 2475 C CB . TYR A 1 324 ? 7.378 9.979 18.981 1.00 30.92 ? 665 TYR A CB 1 ATOM 2476 C CG . TYR A 1 324 ? 7.931 8.570 19.196 1.00 27.84 ? 665 TYR A CG 1 ATOM 2477 C CD1 . TYR A 1 324 ? 7.183 7.442 18.890 1.00 26.74 ? 665 TYR A CD1 1 ATOM 2478 C CD2 . TYR A 1 324 ? 9.220 8.385 19.672 1.00 27.15 ? 665 TYR A CD2 1 ATOM 2479 C CE1 . TYR A 1 324 ? 7.692 6.163 19.085 1.00 26.05 ? 665 TYR A CE1 1 ATOM 2480 C CE2 . TYR A 1 324 ? 9.764 7.102 19.856 1.00 25.36 ? 665 TYR A CE2 1 ATOM 2481 C CZ . TYR A 1 324 ? 8.984 6.002 19.587 1.00 25.55 ? 665 TYR A CZ 1 ATOM 2482 O OH . TYR A 1 324 ? 9.513 4.758 19.811 1.00 22.08 ? 665 TYR A OH 1 ATOM 2483 N N . VAL A 1 325 ? 6.244 10.868 21.828 1.00 32.20 ? 666 VAL A N 1 ATOM 2484 C CA . VAL A 1 325 ? 6.235 10.726 23.291 1.00 33.29 ? 666 VAL A CA 1 ATOM 2485 C C . VAL A 1 325 ? 4.858 10.370 23.866 1.00 34.73 ? 666 VAL A C 1 ATOM 2486 O O . VAL A 1 325 ? 4.749 9.555 24.786 1.00 35.55 ? 666 VAL A O 1 ATOM 2487 C CB . VAL A 1 325 ? 6.786 11.993 23.980 1.00 33.50 ? 666 VAL A CB 1 ATOM 2488 C CG1 . VAL A 1 325 ? 6.196 12.170 25.353 1.00 34.36 ? 666 VAL A CG1 1 ATOM 2489 C CG2 . VAL A 1 325 ? 8.294 11.926 24.086 1.00 32.31 ? 666 VAL A CG2 1 ATOM 2490 N N . THR A 1 326 ? 3.798 10.949 23.326 1.00 35.41 ? 667 THR A N 1 ATOM 2491 C CA . THR A 1 326 ? 2.474 10.623 23.851 1.00 36.25 ? 667 THR A CA 1 ATOM 2492 C C . THR A 1 326 ? 2.046 9.256 23.386 1.00 36.09 ? 667 THR A C 1 ATOM 2493 O O . THR A 1 326 ? 1.343 8.529 24.101 1.00 36.41 ? 667 THR A O 1 ATOM 2494 C CB . THR A 1 326 ? 1.454 11.683 23.482 1.00 35.88 ? 667 THR A CB 1 ATOM 2495 O OG1 . THR A 1 326 ? 1.362 11.787 22.056 1.00 38.89 ? 667 THR A OG1 1 ATOM 2496 C CG2 . THR A 1 326 ? 1.975 13.064 23.904 1.00 36.08 ? 667 THR A CG2 1 ATOM 2497 N N . ALA A 1 327 ? 2.495 8.885 22.193 1.00 35.88 ? 668 ALA A N 1 ATOM 2498 C CA . ALA A 1 327 ? 2.203 7.549 21.695 1.00 34.87 ? 668 ALA A CA 1 ATOM 2499 C C . ALA A 1 327 ? 2.715 6.500 22.686 1.00 34.68 ? 668 ALA A C 1 ATOM 2500 O O . ALA A 1 327 ? 1.969 5.601 23.077 1.00 34.10 ? 668 ALA A O 1 ATOM 2501 C CB . ALA A 1 327 ? 2.812 7.355 20.310 1.00 35.02 ? 668 ALA A CB 1 ATOM 2502 N N . ILE A 1 328 ? 3.972 6.646 23.115 1.00 34.57 ? 669 ILE A N 1 ATOM 2503 C CA . ILE A 1 328 ? 4.590 5.691 24.040 1.00 34.02 ? 669 ILE A CA 1 ATOM 2504 C C . ILE A 1 328 ? 3.936 5.647 25.406 1.00 34.69 ? 669 ILE A C 1 ATOM 2505 O O . ILE A 1 328 ? 3.663 4.572 25.928 1.00 33.70 ? 669 ILE A O 1 ATOM 2506 C CB . ILE A 1 328 ? 6.075 5.954 24.240 1.00 33.11 ? 669 ILE A CB 1 ATOM 2507 C CG1 . ILE A 1 328 ? 6.809 5.800 22.927 1.00 32.17 ? 669 ILE A CG1 1 ATOM 2508 C CG2 . ILE A 1 328 ? 6.621 4.983 25.261 1.00 32.42 ? 669 ILE A CG2 1 ATOM 2509 C CD1 . ILE A 1 328 ? 8.292 6.203 23.006 1.00 29.10 ? 669 ILE A CD1 1 ATOM 2510 N N . ALA A 1 329 ? 3.749 6.821 25.999 1.00 35.68 ? 670 ALA A N 1 ATOM 2511 C CA . ALA A 1 329 ? 3.085 6.924 27.304 1.00 36.37 ? 670 ALA A CA 1 ATOM 2512 C C . ALA A 1 329 ? 1.755 6.181 27.276 1.00 36.26 ? 670 ALA A C 1 ATOM 2513 O O . ALA A 1 329 ? 1.472 5.354 28.149 1.00 36.17 ? 670 ALA A O 1 ATOM 2514 C CB . ALA A 1 329 ? 2.852 8.376 27.669 1.00 36.64 ? 670 ALA A CB 1 ATOM 2515 N N . ASN A 1 330 ? 0.943 6.487 26.274 1.00 36.82 ? 671 ASN A N 1 ATOM 2516 C CA . ASN A 1 330 ? -0.348 5.806 26.119 1.00 37.73 ? 671 ASN A CA 1 ATOM 2517 C C . ASN A 1 330 ? -0.221 4.280 26.013 1.00 37.97 ? 671 ASN A C 1 ATOM 2518 O O . ASN A 1 330 ? -1.049 3.542 26.568 1.00 38.30 ? 671 ASN A O 1 ATOM 2519 C CB . ASN A 1 330 ? -1.150 6.382 24.938 1.00 37.91 ? 671 ASN A CB 1 ATOM 2520 C CG . ASN A 1 330 ? -2.099 7.523 25.364 1.00 40.49 ? 671 ASN A CG 1 ATOM 2521 O OD1 . ASN A 1 330 ? -2.931 7.348 26.264 1.00 43.58 ? 671 ASN A OD1 1 ATOM 2522 N ND2 . ASN A 1 330 ? -1.986 8.681 24.710 1.00 40.28 ? 671 ASN A ND2 1 ATOM 2523 N N . LEU A 1 331 ? 0.819 3.796 25.333 1.00 37.55 ? 672 LEU A N 1 ATOM 2524 C CA . LEU A 1 331 ? 1.011 2.353 25.190 1.00 37.33 ? 672 LEU A CA 1 ATOM 2525 C C . LEU A 1 331 ? 1.456 1.755 26.516 1.00 38.37 ? 672 LEU A C 1 ATOM 2526 O O . LEU A 1 331 ? 1.051 0.645 26.873 1.00 36.59 ? 672 LEU A O 1 ATOM 2527 C CB . LEU A 1 331 ? 2.025 2.036 24.074 1.00 36.76 ? 672 LEU A CB 1 ATOM 2528 C CG . LEU A 1 331 ? 2.586 0.612 23.867 1.00 35.09 ? 672 LEU A CG 1 ATOM 2529 C CD1 . LEU A 1 331 ? 1.473 -0.426 23.685 1.00 27.77 ? 672 LEU A CD1 1 ATOM 2530 C CD2 . LEU A 1 331 ? 3.557 0.572 22.664 1.00 30.34 ? 672 LEU A CD2 1 ATOM 2531 N N . LYS A 1 332 ? 2.278 2.510 27.244 1.00 40.27 ? 673 LYS A N 1 ATOM 2532 C CA . LYS A 1 332 ? 2.840 2.049 28.505 1.00 43.17 ? 673 LYS A CA 1 ATOM 2533 C C . LYS A 1 332 ? 1.791 1.871 29.583 1.00 44.40 ? 673 LYS A C 1 ATOM 2534 O O . LYS A 1 332 ? 1.974 1.060 30.496 1.00 44.77 ? 673 LYS A O 1 ATOM 2535 C CB . LYS A 1 332 ? 3.923 3.000 29.008 1.00 43.89 ? 673 LYS A CB 1 ATOM 2536 C CG . LYS A 1 332 ? 5.181 3.048 28.143 1.00 46.49 ? 673 LYS A CG 1 ATOM 2537 C CD . LYS A 1 332 ? 5.889 1.719 28.156 1.00 49.93 ? 673 LYS A CD 1 ATOM 2538 C CE . LYS A 1 332 ? 7.125 1.747 27.272 1.00 50.81 ? 673 LYS A CE 1 ATOM 2539 N NZ . LYS A 1 332 ? 8.098 2.721 27.789 1.00 51.43 ? 673 LYS A NZ 1 ATOM 2540 N N . LYS A 1 333 ? 0.690 2.607 29.481 1.00 45.76 ? 674 LYS A N 1 ATOM 2541 C CA . LYS A 1 333 ? -0.373 2.459 30.461 1.00 47.93 ? 674 LYS A CA 1 ATOM 2542 C C . LYS A 1 333 ? -0.947 1.068 30.389 1.00 48.79 ? 674 LYS A C 1 ATOM 2543 O O . LYS A 1 333 ? -1.583 0.607 31.328 1.00 49.61 ? 674 LYS A O 1 ATOM 2544 C CB . LYS A 1 333 ? -1.462 3.536 30.289 1.00 48.17 ? 674 LYS A CB 1 ATOM 2545 C CG . LYS A 1 333 ? -2.576 3.247 29.276 1.00 50.47 ? 674 LYS A CG 1 ATOM 2546 C CD . LYS A 1 333 ? -3.535 4.462 29.101 1.00 55.00 ? 674 LYS A CD 1 ATOM 2547 C CE . LYS A 1 333 ? -4.895 4.004 28.533 1.00 56.45 ? 674 LYS A CE 1 ATOM 2548 N NZ . LYS A 1 333 ? -5.584 3.065 29.461 1.00 56.79 ? 674 LYS A NZ 1 ATOM 2549 N N . CYS A 1 334 ? -0.690 0.377 29.282 1.00 49.35 ? 675 CYS A N 1 ATOM 2550 C CA . CYS A 1 334 ? -1.140 -0.996 29.131 1.00 50.29 ? 675 CYS A CA 1 ATOM 2551 C C . CYS A 1 334 ? -0.214 -1.948 29.852 1.00 51.41 ? 675 CYS A C 1 ATOM 2552 O O . CYS A 1 334 ? -0.668 -2.938 30.429 1.00 52.05 ? 675 CYS A O 1 ATOM 2553 C CB . CYS A 1 334 ? -1.193 -1.413 27.663 1.00 49.55 ? 675 CYS A CB 1 ATOM 2554 S SG . CYS A 1 334 ? -2.697 -0.923 26.845 1.00 49.06 ? 675 CYS A SG 1 ATOM 2555 N N . SER A 1 335 ? 1.087 -1.677 29.793 1.00 52.53 ? 676 SER A N 1 ATOM 2556 C CA . SER A 1 335 ? 2.072 -2.584 30.386 1.00 53.52 ? 676 SER A CA 1 ATOM 2557 C C . SER A 1 335 ? 2.438 -2.166 31.816 1.00 53.63 ? 676 SER A C 1 ATOM 2558 O O . SER A 1 335 ? 1.863 -2.648 32.807 1.00 53.73 ? 676 SER A O 1 ATOM 2559 C CB . SER A 1 335 ? 3.332 -2.654 29.509 1.00 53.87 ? 676 SER A CB 1 ATOM 2560 O OG . SER A 1 335 ? 3.052 -2.341 28.143 1.00 56.16 ? 676 SER A OG 1 ATOM 2561 N N . LEU A 1 340 ? 14.841 1.975 40.870 1.00 67.46 ? 681 LEU A N 1 ATOM 2562 C CA . LEU A 1 340 ? 15.180 2.618 39.603 1.00 67.12 ? 681 LEU A CA 1 ATOM 2563 C C . LEU A 1 340 ? 15.318 1.616 38.473 1.00 66.83 ? 681 LEU A C 1 ATOM 2564 O O . LEU A 1 340 ? 15.300 0.400 38.690 1.00 66.83 ? 681 LEU A O 1 ATOM 2565 C CB . LEU A 1 340 ? 16.472 3.414 39.723 1.00 67.19 ? 681 LEU A CB 1 ATOM 2566 C CG . LEU A 1 340 ? 16.337 4.930 39.759 1.00 66.96 ? 681 LEU A CG 1 ATOM 2567 C CD1 . LEU A 1 340 ? 15.604 5.392 41.011 1.00 67.21 ? 681 LEU A CD1 1 ATOM 2568 C CD2 . LEU A 1 340 ? 17.729 5.560 39.644 1.00 66.00 ? 681 LEU A CD2 1 ATOM 2569 N N . GLU A 1 341 ? 15.488 2.148 37.269 1.00 66.24 ? 682 GLU A N 1 ATOM 2570 C CA . GLU A 1 341 ? 15.557 1.335 36.069 1.00 65.75 ? 682 GLU A CA 1 ATOM 2571 C C . GLU A 1 341 ? 14.105 1.155 35.599 1.00 65.25 ? 682 GLU A C 1 ATOM 2572 O O . GLU A 1 341 ? 13.632 0.069 35.238 1.00 65.66 ? 682 GLU A O 1 ATOM 2573 C CB . GLU A 1 341 ? 16.269 0.014 36.346 1.00 65.62 ? 682 GLU A CB 1 ATOM 2574 C CG . GLU A 1 341 ? 17.113 -0.440 35.181 1.00 65.52 ? 682 GLU A CG 1 ATOM 2575 C CD . GLU A 1 341 ? 16.362 -0.350 33.879 1.00 65.60 ? 682 GLU A CD 1 ATOM 2576 O OE1 . GLU A 1 341 ? 15.565 -1.268 33.610 1.00 66.48 ? 682 GLU A OE1 1 ATOM 2577 O OE2 . GLU A 1 341 ? 16.553 0.640 33.143 1.00 65.56 ? 682 GLU A OE2 1 ATOM 2578 N N . ALA A 1 342 ? 13.424 2.287 35.605 1.00 64.14 ? 683 ALA A N 1 ATOM 2579 C CA . ALA A 1 342 ? 12.025 2.420 35.284 1.00 63.18 ? 683 ALA A CA 1 ATOM 2580 C C . ALA A 1 342 ? 11.824 3.700 36.053 1.00 62.32 ? 683 ALA A C 1 ATOM 2581 O O . ALA A 1 342 ? 10.722 4.057 36.485 1.00 63.03 ? 683 ALA A O 1 ATOM 2582 C CB . ALA A 1 342 ? 11.223 1.296 35.884 1.00 63.54 ? 683 ALA A CB 1 ATOM 2583 N N . CYS A 1 343 ? 12.961 4.360 36.233 1.00 60.33 ? 684 CYS A N 1 ATOM 2584 C CA . CYS A 1 343 ? 13.119 5.609 36.969 1.00 58.31 ? 684 CYS A CA 1 ATOM 2585 C C . CYS A 1 343 ? 11.891 6.552 36.995 1.00 59.85 ? 684 CYS A C 1 ATOM 2586 O O . CYS A 1 343 ? 11.704 7.297 37.957 1.00 60.37 ? 684 CYS A O 1 ATOM 2587 C CB . CYS A 1 343 ? 14.392 6.305 36.455 1.00 56.54 ? 684 CYS A CB 1 ATOM 2588 S SG . CYS A 1 343 ? 15.670 5.105 35.927 1.00 44.81 ? 684 CYS A SG 1 ATOM 2589 N N . ALA A 1 344 ? 11.054 6.514 35.960 1.00 60.86 ? 685 ALA A N 1 ATOM 2590 C CA . ALA A 1 344 ? 9.823 7.318 35.937 1.00 61.94 ? 685 ALA A CA 1 ATOM 2591 C C . ALA A 1 344 ? 8.885 6.813 34.839 1.00 62.48 ? 685 ALA A C 1 ATOM 2592 O O . ALA A 1 344 ? 9.277 5.889 34.112 1.00 63.21 ? 685 ALA A O 1 ATOM 2593 C CB . ALA A 1 344 ? 10.134 8.812 35.747 1.00 61.93 ? 685 ALA A CB 1 HETATM 2594 C C1 . NAG B 2 . ? 43.382 9.458 20.543 1.00 47.56 ? 1 NAG A C1 1 HETATM 2595 C C2 . NAG B 2 . ? 43.553 9.824 19.062 1.00 49.46 ? 1 NAG A C2 1 HETATM 2596 C C3 . NAG B 2 . ? 44.607 10.911 18.813 1.00 52.48 ? 1 NAG A C3 1 HETATM 2597 C C4 . NAG B 2 . ? 44.688 11.990 19.900 1.00 54.26 ? 1 NAG A C4 1 HETATM 2598 C C5 . NAG B 2 . ? 44.286 11.498 21.279 1.00 54.40 ? 1 NAG A C5 1 HETATM 2599 C C6 . NAG B 2 . ? 43.832 12.696 22.094 1.00 56.92 ? 1 NAG A C6 1 HETATM 2600 C C7 . NAG B 2 . ? 42.978 7.928 17.626 1.00 47.77 ? 1 NAG A C7 1 HETATM 2601 C C8 . NAG B 2 . ? 43.508 6.853 16.718 1.00 45.70 ? 1 NAG A C8 1 HETATM 2602 N N2 . NAG B 2 . ? 43.894 8.686 18.235 1.00 47.40 ? 1 NAG A N2 1 HETATM 2603 O O3 . NAG B 2 . ? 44.337 11.567 17.578 1.00 52.73 ? 1 NAG A O3 1 HETATM 2604 O O4 . NAG B 2 . ? 46.005 12.525 19.982 1.00 57.68 ? 1 NAG A O4 1 HETATM 2605 O O5 . NAG B 2 . ? 43.159 10.676 21.186 1.00 51.42 ? 1 NAG A O5 1 HETATM 2606 O O6 . NAG B 2 . ? 42.771 13.318 21.392 1.00 57.77 ? 1 NAG A O6 1 HETATM 2607 O O7 . NAG B 2 . ? 41.763 8.063 17.794 1.00 45.79 ? 1 NAG A O7 1 HETATM 2608 C C1 . NAG C 2 . ? -3.640 6.145 20.622 1.00 44.99 ? 2 NAG A C1 1 HETATM 2609 C C2 . NAG C 2 . ? -2.639 6.991 19.826 1.00 46.84 ? 2 NAG A C2 1 HETATM 2610 C C3 . NAG C 2 . ? -2.215 8.258 20.595 1.00 48.97 ? 2 NAG A C3 1 HETATM 2611 C C4 . NAG C 2 . ? -3.432 8.990 21.126 1.00 50.52 ? 2 NAG A C4 1 HETATM 2612 C C5 . NAG C 2 . ? -4.194 8.020 21.987 1.00 51.22 ? 2 NAG A C5 1 HETATM 2613 C C6 . NAG C 2 . ? -5.402 8.697 22.608 1.00 53.58 ? 2 NAG A C6 1 HETATM 2614 C C7 . NAG C 2 . ? -0.785 6.172 18.420 1.00 44.10 ? 2 NAG A C7 1 HETATM 2615 C C8 . NAG C 2 . ? 0.435 5.291 18.390 1.00 41.70 ? 2 NAG A C8 1 HETATM 2616 N N2 . NAG C 2 . ? -1.459 6.193 19.570 1.00 44.93 ? 2 NAG A N2 1 HETATM 2617 O O3 . NAG C 2 . ? -1.404 9.121 19.813 1.00 47.92 ? 2 NAG A O3 1 HETATM 2618 O O4 . NAG C 2 . ? -3.015 9.969 22.029 1.00 54.43 ? 2 NAG A O4 1 HETATM 2619 O O5 . NAG C 2 . ? -4.640 6.968 21.185 1.00 49.51 ? 2 NAG A O5 1 HETATM 2620 O O6 . NAG C 2 . ? -5.914 9.590 21.647 1.00 55.92 ? 2 NAG A O6 1 HETATM 2621 O O7 . NAG C 2 . ? -1.122 6.811 17.423 1.00 42.13 ? 2 NAG A O7 1 HETATM 2622 C C1 . NAG D 2 . ? -3.544 11.238 21.658 1.00 57.57 ? 3 NAG A C1 1 HETATM 2623 C C2 . NAG D 2 . ? -3.330 12.169 22.839 1.00 59.46 ? 3 NAG A C2 1 HETATM 2624 C C3 . NAG D 2 . ? -3.659 13.588 22.460 1.00 61.22 ? 3 NAG A C3 1 HETATM 2625 C C4 . NAG D 2 . ? -2.892 14.015 21.230 1.00 62.99 ? 3 NAG A C4 1 HETATM 2626 C C5 . NAG D 2 . ? -2.987 13.012 20.090 1.00 60.16 ? 3 NAG A C5 1 HETATM 2627 C C6 . NAG D 2 . ? -1.808 13.263 19.168 1.00 59.11 ? 3 NAG A C6 1 HETATM 2628 C C7 . NAG D 2 . ? -3.795 11.606 25.175 1.00 60.41 ? 3 NAG A C7 1 HETATM 2629 C C8 . NAG D 2 . ? -4.852 11.144 26.134 1.00 60.86 ? 3 NAG A C8 1 HETATM 2630 N N2 . NAG D 2 . ? -4.212 11.818 23.929 1.00 59.51 ? 3 NAG A N2 1 HETATM 2631 O O3 . NAG D 2 . ? -3.277 14.406 23.536 1.00 62.57 ? 3 NAG A O3 1 HETATM 2632 O O4 . NAG D 2 . ? -3.476 15.207 20.766 1.00 69.12 ? 3 NAG A O4 1 HETATM 2633 O O5 . NAG D 2 . ? -2.914 11.652 20.471 1.00 58.53 ? 3 NAG A O5 1 HETATM 2634 O O6 . NAG D 2 . ? -0.701 13.656 19.950 1.00 56.05 ? 3 NAG A O6 1 HETATM 2635 O O7 . NAG D 2 . ? -2.629 11.753 25.556 1.00 60.89 ? 3 NAG A O7 1 HETATM 2636 C C1 . BMA E 3 . ? -2.540 16.289 20.852 1.00 73.35 ? 4 BMA A C1 1 HETATM 2637 C C2 . BMA E 3 . ? -2.752 17.147 19.606 1.00 75.29 ? 4 BMA A C2 1 HETATM 2638 C C3 . BMA E 3 . ? -1.916 18.424 19.671 1.00 76.78 ? 4 BMA A C3 1 HETATM 2639 C C4 . BMA E 3 . ? -2.183 19.142 20.989 1.00 76.64 ? 4 BMA A C4 1 HETATM 2640 C C5 . BMA E 3 . ? -1.960 18.202 22.172 1.00 76.80 ? 4 BMA A C5 1 HETATM 2641 C C6 . BMA E 3 . ? -2.335 18.895 23.478 1.00 77.26 ? 4 BMA A C6 1 HETATM 2642 O O2 . BMA E 3 . ? -4.129 17.447 19.475 1.00 74.85 ? 4 BMA A O2 1 HETATM 2643 O O3 . BMA E 3 . ? -2.176 19.267 18.558 1.00 78.05 ? 4 BMA A O3 1 HETATM 2644 O O4 . BMA E 3 . ? -1.303 20.232 21.108 1.00 76.77 ? 4 BMA A O4 1 HETATM 2645 O O5 . BMA E 3 . ? -2.729 17.016 22.053 1.00 75.64 ? 4 BMA A O5 1 HETATM 2646 O O6 . BMA E 3 . ? -3.064 17.994 24.285 1.00 77.88 ? 4 BMA A O6 1 HETATM 2647 C C1 . NAG F 2 . ? 13.421 4.022 1.225 1.00 29.05 ? 5 NAG A C1 1 HETATM 2648 C C2 . NAG F 2 . ? 13.444 5.538 0.817 1.00 34.69 ? 5 NAG A C2 1 HETATM 2649 C C3 . NAG F 2 . ? 14.319 5.692 -0.422 1.00 36.68 ? 5 NAG A C3 1 HETATM 2650 C C4 . NAG F 2 . ? 15.710 5.148 -0.162 1.00 39.85 ? 5 NAG A C4 1 HETATM 2651 C C5 . NAG F 2 . ? 15.625 3.723 0.397 1.00 37.78 ? 5 NAG A C5 1 HETATM 2652 C C6 . NAG F 2 . ? 16.965 3.104 0.817 1.00 35.98 ? 5 NAG A C6 1 HETATM 2653 C C7 . NAG F 2 . ? 11.556 7.080 1.181 1.00 38.04 ? 5 NAG A C7 1 HETATM 2654 C C8 . NAG F 2 . ? 10.168 7.456 0.748 1.00 36.04 ? 5 NAG A C8 1 HETATM 2655 N N2 . NAG F 2 . ? 12.131 6.089 0.520 1.00 32.65 ? 5 NAG A N2 1 HETATM 2656 O O3 . NAG F 2 . ? 14.414 7.041 -0.834 1.00 37.21 ? 5 NAG A O3 1 HETATM 2657 O O4 . NAG F 2 . ? 16.296 5.044 -1.426 1.00 47.90 ? 5 NAG A O4 1 HETATM 2658 O O5 . NAG F 2 . ? 14.751 3.648 1.497 1.00 32.13 ? 5 NAG A O5 1 HETATM 2659 O O6 . NAG F 2 . ? 17.614 3.912 1.774 1.00 38.31 ? 5 NAG A O6 1 HETATM 2660 O O7 . NAG F 2 . ? 12.103 7.732 2.075 1.00 41.70 ? 5 NAG A O7 1 HETATM 2661 C C1 . NAG G 2 . ? 17.468 5.847 -1.499 1.00 55.47 ? 6 NAG A C1 1 HETATM 2662 C C2 . NAG G 2 . ? 18.476 5.150 -2.394 1.00 58.74 ? 6 NAG A C2 1 HETATM 2663 C C3 . NAG G 2 . ? 19.651 6.062 -2.740 1.00 63.32 ? 6 NAG A C3 1 HETATM 2664 C C4 . NAG G 2 . ? 19.171 7.481 -3.074 1.00 67.51 ? 6 NAG A C4 1 HETATM 2665 C C5 . NAG G 2 . ? 18.317 7.902 -1.893 1.00 64.34 ? 6 NAG A C5 1 HETATM 2666 C C6 . NAG G 2 . ? 17.973 9.386 -1.820 1.00 63.99 ? 6 NAG A C6 1 HETATM 2667 C C7 . NAG G 2 . ? 19.041 2.761 -2.374 1.00 56.52 ? 6 NAG A C7 1 HETATM 2668 C C8 . NAG G 2 . ? 20.063 1.790 -1.865 1.00 55.65 ? 6 NAG A C8 1 HETATM 2669 N N2 . NAG G 2 . ? 18.960 3.940 -1.748 1.00 58.27 ? 6 NAG A N2 1 HETATM 2670 O O3 . NAG G 2 . ? 20.345 5.462 -3.816 1.00 63.36 ? 6 NAG A O3 1 HETATM 2671 O O4 . NAG G 2 . ? 20.211 8.413 -3.303 1.00 76.30 ? 6 NAG A O4 1 HETATM 2672 O O5 . NAG G 2 . ? 17.166 7.109 -2.025 1.00 59.83 ? 6 NAG A O5 1 HETATM 2673 O O6 . NAG G 2 . ? 16.597 9.548 -2.086 1.00 64.53 ? 6 NAG A O6 1 HETATM 2674 O O7 . NAG G 2 . ? 18.327 2.446 -3.323 1.00 56.70 ? 6 NAG A O7 1 HETATM 2675 C C1 . BMA H 3 . ? 21.216 7.783 -4.109 1.00 84.05 ? 7 BMA A C1 1 HETATM 2676 C C2 . BMA H 3 . ? 22.152 8.782 -4.748 1.00 87.67 ? 7 BMA A C2 1 HETATM 2677 C C3 . BMA H 3 . ? 23.134 8.035 -5.655 1.00 91.32 ? 7 BMA A C3 1 HETATM 2678 C C4 . BMA H 3 . ? 23.622 6.658 -5.141 1.00 93.69 ? 7 BMA A C4 1 HETATM 2679 C C5 . BMA H 3 . ? 22.850 6.077 -3.951 1.00 91.99 ? 7 BMA A C5 1 HETATM 2680 C C6 . BMA H 3 . ? 23.790 5.493 -2.896 1.00 92.17 ? 7 BMA A C6 1 HETATM 2681 O O2 . BMA H 3 . ? 22.852 9.492 -3.746 1.00 87.34 ? 7 BMA A O2 1 HETATM 2682 O O3 . BMA H 3 . ? 24.232 8.895 -5.893 1.00 91.68 ? 7 BMA A O3 1 HETATM 2683 O O4 . BMA H 3 . ? 23.549 5.662 -6.157 1.00 98.78 ? 7 BMA A O4 1 HETATM 2684 O O5 . BMA H 3 . ? 22.018 6.996 -3.285 1.00 88.25 ? 7 BMA A O5 1 HETATM 2685 O O6 . BMA H 3 . ? 23.202 4.361 -2.289 1.00 92.71 ? 7 BMA A O6 1 HETATM 2686 C C1 . MAN I 4 . ? 24.785 4.907 -6.287 1.00 103.86 ? 8 MAN A C1 1 HETATM 2687 C C2 . MAN I 4 . ? 24.712 3.988 -7.502 1.00 105.98 ? 8 MAN A C2 1 HETATM 2688 C C3 . MAN I 4 . ? 23.852 2.752 -7.245 1.00 107.78 ? 8 MAN A C3 1 HETATM 2689 C C4 . MAN I 4 . ? 24.121 2.090 -5.891 1.00 108.94 ? 8 MAN A C4 1 HETATM 2690 C C5 . MAN I 4 . ? 24.385 3.078 -4.762 1.00 107.73 ? 8 MAN A C5 1 HETATM 2691 C C6 . MAN I 4 . ? 25.016 2.340 -3.579 1.00 107.37 ? 8 MAN A C6 1 HETATM 2692 O O2 . MAN I 4 . ? 26.016 3.591 -7.880 1.00 106.21 ? 8 MAN A O2 1 HETATM 2693 O O3 . MAN I 4 . ? 24.150 1.815 -8.258 1.00 108.02 ? 8 MAN A O3 1 HETATM 2694 O O4 . MAN I 4 . ? 23.103 1.184 -5.458 1.00 111.96 ? 8 MAN A O4 1 HETATM 2695 O O5 . MAN I 4 . ? 25.216 4.157 -5.160 1.00 106.13 ? 8 MAN A O5 1 HETATM 2696 O O6 . MAN I 4 . ? 26.283 1.832 -3.933 1.00 107.04 ? 8 MAN A O6 1 HETATM 2697 C C1 . MAN J 4 . ? 21.782 1.385 -6.019 1.00 114.83 ? 9 MAN A C1 1 HETATM 2698 C C2 . MAN J 4 . ? 20.765 0.501 -5.299 1.00 115.98 ? 9 MAN A C2 1 HETATM 2699 C C3 . MAN J 4 . ? 20.819 -0.957 -5.775 1.00 117.14 ? 9 MAN A C3 1 HETATM 2700 C C4 . MAN J 4 . ? 21.958 -1.252 -6.769 1.00 118.01 ? 9 MAN A C4 1 HETATM 2701 C C5 . MAN J 4 . ? 22.141 -0.154 -7.821 1.00 117.36 ? 9 MAN A C5 1 HETATM 2702 C C6 . MAN J 4 . ? 21.397 -0.532 -9.101 1.00 117.44 ? 9 MAN A C6 1 HETATM 2703 O O2 . MAN J 4 . ? 19.460 1.014 -5.480 1.00 115.78 ? 9 MAN A O2 1 HETATM 2704 O O3 . MAN J 4 . ? 19.574 -1.378 -6.307 1.00 116.83 ? 9 MAN A O3 1 HETATM 2705 O O4 . MAN J 4 . ? 23.138 -1.658 -6.058 1.00 119.74 ? 9 MAN A O4 1 HETATM 2706 O O5 . MAN J 4 . ? 21.671 1.118 -7.401 1.00 116.04 ? 9 MAN A O5 1 HETATM 2707 O O6 . MAN J 4 . ? 20.268 0.297 -9.272 1.00 117.45 ? 9 MAN A O6 1 HETATM 2708 C C1 . MAN K 4 . ? 24.417 -1.066 -6.404 1.00 121.31 ? 10 MAN A C1 1 HETATM 2709 C C2 . MAN K 4 . ? 25.322 -2.022 -7.173 1.00 121.78 ? 10 MAN A C2 1 HETATM 2710 C C3 . MAN K 4 . ? 25.583 -3.282 -6.349 1.00 122.10 ? 10 MAN A C3 1 HETATM 2711 C C4 . MAN K 4 . ? 25.974 -2.982 -4.899 1.00 122.43 ? 10 MAN A C4 1 HETATM 2712 C C5 . MAN K 4 . ? 25.274 -1.750 -4.307 1.00 122.74 ? 10 MAN A C5 1 HETATM 2713 C C6 . MAN K 4 . ? 26.005 -1.212 -3.071 1.00 123.31 ? 10 MAN A C6 1 HETATM 2714 O O2 . MAN K 4 . ? 26.551 -1.385 -7.470 1.00 121.66 ? 10 MAN A O2 1 HETATM 2715 O O3 . MAN K 4 . ? 26.587 -4.064 -6.965 1.00 121.75 ? 10 MAN A O3 1 HETATM 2716 O O4 . MAN K 4 . ? 25.648 -4.116 -4.120 1.00 122.56 ? 10 MAN A O4 1 HETATM 2717 O O5 . MAN K 4 . ? 25.148 -0.698 -5.252 1.00 122.18 ? 10 MAN A O5 1 HETATM 2718 O O6 . MAN K 4 . ? 26.324 -2.243 -2.158 1.00 123.77 ? 10 MAN A O6 1 HETATM 2719 C C1 . NAG L 2 . ? 14.162 21.522 15.851 1.00 98.98 ? 690 NAG A C1 1 HETATM 2720 C C2 . NAG L 2 . ? 14.020 20.698 14.574 1.00 99.25 ? 690 NAG A C2 1 HETATM 2721 C C3 . NAG L 2 . ? 12.908 19.667 14.685 1.00 98.20 ? 690 NAG A C3 1 HETATM 2722 C C4 . NAG L 2 . ? 13.002 18.901 15.991 1.00 96.96 ? 690 NAG A C4 1 HETATM 2723 C C5 . NAG L 2 . ? 13.117 19.900 17.146 1.00 97.08 ? 690 NAG A C5 1 HETATM 2724 C C6 . NAG L 2 . ? 13.220 19.272 18.530 1.00 96.75 ? 690 NAG A C6 1 HETATM 2725 C C7 . NAG L 2 . ? 14.697 21.689 12.528 1.00 100.67 ? 690 NAG A C7 1 HETATM 2726 C C8 . NAG L 2 . ? 14.472 22.725 11.467 1.00 101.27 ? 690 NAG A C8 1 HETATM 2727 N N2 . NAG L 2 . ? 13.760 21.573 13.454 1.00 100.34 ? 690 NAG A N2 1 HETATM 2728 O O3 . NAG L 2 . ? 12.945 18.746 13.613 1.00 98.48 ? 690 NAG A O3 1 HETATM 2729 O O4 . NAG L 2 . ? 11.779 18.218 15.958 1.00 94.77 ? 690 NAG A O4 1 HETATM 2730 O O5 . NAG L 2 . ? 14.288 20.656 16.956 1.00 98.33 ? 690 NAG A O5 1 HETATM 2731 O O6 . NAG L 2 . ? 14.419 18.541 18.640 1.00 95.18 ? 690 NAG A O6 1 HETATM 2732 O O7 . NAG L 2 . ? 15.704 20.983 12.537 1.00 100.78 ? 690 NAG A O7 1 HETATM 2733 C C1 . NDG M 5 . ? 11.599 17.247 16.998 1.00 92.08 ? 691 NDG A C1 1 HETATM 2734 C C2 . NDG M 5 . ? 10.688 16.305 16.271 1.00 91.01 ? 691 NDG A C2 1 HETATM 2735 C C3 . NDG M 5 . ? 9.581 17.156 15.612 1.00 90.93 ? 691 NDG A C3 1 HETATM 2736 C C4 . NDG M 5 . ? 9.019 18.357 16.406 1.00 91.11 ? 691 NDG A C4 1 HETATM 2737 C C5 . NDG M 5 . ? 10.068 18.804 17.464 1.00 90.46 ? 691 NDG A C5 1 HETATM 2738 C C6 . NDG M 5 . ? 9.598 19.627 18.660 1.00 89.13 ? 691 NDG A C6 1 HETATM 2739 C C7 . NDG M 5 . ? 11.519 14.294 15.209 1.00 89.55 ? 691 NDG A C7 1 HETATM 2740 C C8 . NDG M 5 . ? 12.141 13.695 13.979 1.00 89.17 ? 691 NDG A C8 1 HETATM 2741 O O . NDG M 5 . ? 10.791 17.715 18.019 1.00 91.64 ? 691 NDG A O 1 HETATM 2742 O O3 . NDG M 5 . ? 8.523 16.312 15.219 1.00 90.21 ? 691 NDG A O3 1 HETATM 2743 O O4 . NDG M 5 . ? 8.748 19.432 15.479 1.00 92.48 ? 691 NDG A O4 1 HETATM 2744 O O6 . NDG M 5 . ? 10.143 19.020 19.816 1.00 86.17 ? 691 NDG A O6 1 HETATM 2745 O O7 . NDG M 5 . ? 11.079 13.583 16.110 1.00 89.16 ? 691 NDG A O7 1 HETATM 2746 N N2 . NDG M 5 . ? 11.472 15.618 15.269 1.00 90.22 ? 691 NDG A N2 1 HETATM 2747 C C1 . NAG N 2 . ? 7.482 19.605 14.715 1.00 93.66 ? 692 NAG A C1 1 HETATM 2748 C C2 . NAG N 2 . ? 7.407 19.112 13.238 1.00 94.30 ? 692 NAG A C2 1 HETATM 2749 C C3 . NAG N 2 . ? 6.103 19.503 12.514 1.00 94.25 ? 692 NAG A C3 1 HETATM 2750 C C4 . NAG N 2 . ? 4.863 19.582 13.398 1.00 94.53 ? 692 NAG A C4 1 HETATM 2751 C C5 . NAG N 2 . ? 5.152 19.935 14.853 1.00 94.14 ? 692 NAG A C5 1 HETATM 2752 C C6 . NAG N 2 . ? 3.934 19.559 15.686 1.00 93.92 ? 692 NAG A C6 1 HETATM 2753 C C7 . NAG N 2 . ? 9.564 18.951 12.108 1.00 95.79 ? 692 NAG A C7 1 HETATM 2754 C C8 . NAG N 2 . ? 10.453 19.482 11.018 1.00 95.63 ? 692 NAG A C8 1 HETATM 2755 N N2 . NAG N 2 . ? 8.456 19.635 12.377 1.00 94.92 ? 692 NAG A N2 1 HETATM 2756 O O3 . NAG N 2 . ? 5.821 18.616 11.446 1.00 92.99 ? 692 NAG A O3 1 HETATM 2757 O O4 . NAG N 2 . ? 3.989 20.562 12.879 1.00 95.97 ? 692 NAG A O4 1 HETATM 2758 O O5 . NAG N 2 . ? 6.278 19.235 15.363 1.00 94.13 ? 692 NAG A O5 1 HETATM 2759 O O6 . NAG N 2 . ? 3.777 18.157 15.640 1.00 93.42 ? 692 NAG A O6 1 HETATM 2760 O O7 . NAG N 2 . ? 9.871 17.931 12.723 1.00 96.52 ? 692 NAG A O7 1 HETATM 2761 C C1 . NAG O 2 . ? 2.665 20.011 12.906 1.00 96.81 ? 693 NAG A C1 1 HETATM 2762 C C2 . NAG O 2 . ? 1.660 21.052 12.420 1.00 97.36 ? 693 NAG A C2 1 HETATM 2763 C C3 . NAG O 2 . ? 0.312 20.431 12.064 1.00 97.24 ? 693 NAG A C3 1 HETATM 2764 C C4 . NAG O 2 . ? 0.476 19.127 11.284 1.00 97.33 ? 693 NAG A C4 1 HETATM 2765 C C5 . NAG O 2 . ? 1.471 18.192 11.962 1.00 97.45 ? 693 NAG A C5 1 HETATM 2766 C C6 . NAG O 2 . ? 1.728 16.914 11.159 1.00 97.22 ? 693 NAG A C6 1 HETATM 2767 C C7 . NAG O 2 . ? 1.356 23.402 13.092 1.00 98.68 ? 693 NAG A C7 1 HETATM 2768 C C8 . NAG O 2 . ? 0.946 24.335 14.199 1.00 99.11 ? 693 NAG A C8 1 HETATM 2769 N N2 . NAG O 2 . ? 1.468 22.105 13.413 1.00 98.14 ? 693 NAG A N2 1 HETATM 2770 O O3 . NAG O 2 . ? -0.420 21.367 11.296 1.00 97.37 ? 693 NAG A O3 1 HETATM 2771 O O4 . NAG O 2 . ? -0.773 18.475 11.168 1.00 97.48 ? 693 NAG A O4 1 HETATM 2772 O O5 . NAG O 2 . ? 2.694 18.868 12.091 1.00 97.33 ? 693 NAG A O5 1 HETATM 2773 O O6 . NAG O 2 . ? 2.470 17.204 9.988 1.00 97.49 ? 693 NAG A O6 1 HETATM 2774 O O7 . NAG O 2 . ? 1.573 23.851 11.962 1.00 98.79 ? 693 NAG A O7 1 HETATM 2775 ZN ZN . ZN P 6 . ? 14.745 22.974 24.388 1.00 27.90 ? 302 ZN A ZN 1 HETATM 2776 ZN ZN . ZN Q 6 . ? 3.267 10.541 7.275 1.00 31.85 ? 303 ZN A ZN 1 HETATM 2777 FE FE . FE R 7 . ? 14.544 2.171 15.133 1.00 16.75 ? 694 FE A FE 1 HETATM 2778 C C . CO3 S 8 . ? 13.212 0.192 15.430 1.00 15.31 ? 695 CO3 A C 1 HETATM 2779 O O1 . CO3 S 8 . ? 14.485 0.127 15.686 1.00 16.73 ? 695 CO3 A O1 1 HETATM 2780 O O2 . CO3 S 8 . ? 12.684 1.292 15.074 1.00 16.20 ? 695 CO3 A O2 1 HETATM 2781 O O3 . CO3 S 8 . ? 12.481 -0.852 15.466 1.00 14.15 ? 695 CO3 A O3 1 HETATM 2782 S S . SO4 T 9 . ? -1.266 -6.501 -4.965 1.00 58.49 ? 301 SO4 A S 1 HETATM 2783 O O1 . SO4 T 9 . ? -0.803 -5.558 -3.962 1.00 59.29 ? 301 SO4 A O1 1 HETATM 2784 O O2 . SO4 T 9 . ? -2.724 -6.477 -4.998 1.00 57.80 ? 301 SO4 A O2 1 HETATM 2785 O O3 . SO4 T 9 . ? -0.697 -6.073 -6.246 1.00 58.19 ? 301 SO4 A O3 1 HETATM 2786 O O4 . SO4 T 9 . ? -0.814 -7.849 -4.622 1.00 58.42 ? 301 SO4 A O4 1 HETATM 2787 O O . HOH U 10 . ? 11.265 -10.847 14.327 1.00 13.31 ? 696 HOH A O 1 HETATM 2788 O O . HOH U 10 . ? 13.496 5.646 16.565 1.00 15.46 ? 697 HOH A O 1 HETATM 2789 O O . HOH U 10 . ? 17.011 3.285 12.124 1.00 12.71 ? 698 HOH A O 1 HETATM 2790 O O . HOH U 10 . ? 25.468 -0.935 21.323 1.00 14.32 ? 699 HOH A O 1 HETATM 2791 O O . HOH U 10 . ? 27.669 8.762 30.209 1.00 17.95 ? 700 HOH A O 1 HETATM 2792 O O . HOH U 10 . ? 25.886 1.560 19.954 1.00 13.14 ? 701 HOH A O 1 HETATM 2793 O O . HOH U 10 . ? 6.335 -0.276 11.537 1.00 22.19 ? 702 HOH A O 1 HETATM 2794 O O . HOH U 10 . ? 3.515 -12.403 4.018 1.00 20.15 ? 703 HOH A O 1 HETATM 2795 O O . HOH U 10 . ? 23.957 -8.027 30.835 1.00 20.64 ? 704 HOH A O 1 HETATM 2796 O O . HOH U 10 . ? 19.785 -0.853 14.119 1.00 21.26 ? 705 HOH A O 1 HETATM 2797 O O . HOH U 10 . ? 14.036 -4.981 23.635 1.00 22.71 ? 706 HOH A O 1 HETATM 2798 O O . HOH U 10 . ? 25.932 -8.715 19.236 1.00 28.09 ? 707 HOH A O 1 HETATM 2799 O O . HOH U 10 . ? 23.006 0.170 20.895 1.00 23.20 ? 708 HOH A O 1 HETATM 2800 O O . HOH U 10 . ? 22.834 -6.928 19.563 1.00 22.73 ? 709 HOH A O 1 HETATM 2801 O O . HOH U 10 . ? 18.571 5.980 12.631 1.00 19.11 ? 710 HOH A O 1 HETATM 2802 O O . HOH U 10 . ? 17.676 -1.759 8.046 1.00 29.10 ? 711 HOH A O 1 HETATM 2803 O O . HOH U 10 . ? 22.547 -4.682 17.635 1.00 26.33 ? 712 HOH A O 1 HETATM 2804 O O . HOH U 10 . ? 22.862 -1.150 18.122 1.00 18.19 ? 713 HOH A O 1 HETATM 2805 O O . HOH U 10 . ? 18.755 -3.376 14.267 1.00 23.38 ? 714 HOH A O 1 HETATM 2806 O O . HOH U 10 . ? 13.071 5.470 5.744 1.00 19.72 ? 715 HOH A O 1 HETATM 2807 O O . HOH U 10 . ? 5.647 -12.618 -3.175 1.00 28.43 ? 716 HOH A O 1 HETATM 2808 O O . HOH U 10 . ? 18.235 -4.972 23.353 1.00 20.13 ? 717 HOH A O 1 HETATM 2809 O O . HOH U 10 . ? 18.773 0.184 19.805 1.00 18.84 ? 718 HOH A O 1 HETATM 2810 O O . HOH U 10 . ? 22.204 12.271 33.585 1.00 27.64 ? 719 HOH A O 1 HETATM 2811 O O . HOH U 10 . ? 23.854 -3.956 33.633 1.00 22.09 ? 720 HOH A O 1 HETATM 2812 O O . HOH U 10 . ? -0.555 4.452 5.878 1.00 23.67 ? 721 HOH A O 1 HETATM 2813 O O . HOH U 10 . ? 7.558 7.005 -1.559 1.00 33.29 ? 722 HOH A O 1 HETATM 2814 O O . HOH U 10 . ? -0.159 4.709 21.914 1.00 25.54 ? 723 HOH A O 1 HETATM 2815 O O . HOH U 10 . ? 19.388 -4.957 11.795 1.00 24.24 ? 724 HOH A O 1 HETATM 2816 O O . HOH U 10 . ? 27.549 -0.309 11.152 1.00 27.24 ? 725 HOH A O 1 HETATM 2817 O O . HOH U 10 . ? 3.449 0.687 5.803 1.00 20.35 ? 726 HOH A O 1 HETATM 2818 O O . HOH U 10 . ? -0.782 -15.555 -4.283 1.00 29.94 ? 727 HOH A O 1 HETATM 2819 O O . HOH U 10 . ? 7.233 13.109 17.168 1.00 23.88 ? 728 HOH A O 1 HETATM 2820 O O . HOH U 10 . ? -3.798 -2.237 4.450 1.00 33.94 ? 729 HOH A O 1 HETATM 2821 O O . HOH U 10 . ? -0.003 -10.776 19.770 1.00 29.21 ? 730 HOH A O 1 HETATM 2822 O O . HOH U 10 . ? 19.562 -8.947 -2.030 1.00 25.44 ? 731 HOH A O 1 HETATM 2823 O O . HOH U 10 . ? 9.980 2.213 24.662 1.00 22.88 ? 732 HOH A O 1 HETATM 2824 O O . HOH U 10 . ? 19.896 -13.186 11.021 1.00 24.61 ? 733 HOH A O 1 HETATM 2825 O O . HOH U 10 . ? 32.411 3.929 8.388 1.00 32.27 ? 734 HOH A O 1 HETATM 2826 O O . HOH U 10 . ? -3.472 -14.399 2.008 1.00 26.26 ? 735 HOH A O 1 HETATM 2827 O O . HOH U 10 . ? 20.370 -3.078 18.983 1.00 36.31 ? 736 HOH A O 1 HETATM 2828 O O . HOH U 10 . ? 13.308 -12.572 25.482 1.00 30.97 ? 737 HOH A O 1 HETATM 2829 O O . HOH U 10 . ? 5.415 -14.620 4.614 1.00 32.44 ? 738 HOH A O 1 HETATM 2830 O O . HOH U 10 . ? 22.522 -0.540 15.633 1.00 24.82 ? 739 HOH A O 1 HETATM 2831 O O . HOH U 10 . ? -2.360 -20.237 9.322 1.00 39.79 ? 740 HOH A O 1 HETATM 2832 O O . HOH U 10 . ? 20.220 -1.382 20.897 1.00 23.50 ? 741 HOH A O 1 HETATM 2833 O O . HOH U 10 . ? 1.096 6.828 5.126 1.00 28.54 ? 742 HOH A O 1 HETATM 2834 O O . HOH U 10 . ? 28.589 7.157 32.458 1.00 25.86 ? 743 HOH A O 1 HETATM 2835 O O . HOH U 10 . ? 19.266 0.271 9.373 1.00 28.87 ? 744 HOH A O 1 HETATM 2836 O O . HOH U 10 . ? 14.366 14.692 16.436 1.00 41.86 ? 745 HOH A O 1 HETATM 2837 O O . HOH U 10 . ? 31.220 -8.354 14.647 1.00 44.80 ? 746 HOH A O 1 HETATM 2838 O O . HOH U 10 . ? 21.742 -4.854 14.963 1.00 22.98 ? 747 HOH A O 1 HETATM 2839 O O . HOH U 10 . ? 30.271 -7.132 10.172 1.00 55.68 ? 748 HOH A O 1 HETATM 2840 O O . HOH U 10 . ? 5.031 -2.148 25.327 1.00 32.88 ? 749 HOH A O 1 HETATM 2841 O O . HOH U 10 . ? 16.966 -15.250 -1.457 1.00 31.85 ? 750 HOH A O 1 HETATM 2842 O O . HOH U 10 . ? 20.671 5.957 9.609 1.00 28.09 ? 751 HOH A O 1 HETATM 2843 O O . HOH U 10 . ? 16.991 13.128 30.656 1.00 24.87 ? 752 HOH A O 1 HETATM 2844 O O . HOH U 10 . ? -4.822 -2.493 -2.119 1.00 26.34 ? 753 HOH A O 1 HETATM 2845 O O . HOH U 10 . ? 23.720 -13.645 14.508 1.00 34.43 ? 754 HOH A O 1 HETATM 2846 O O . HOH U 10 . ? 31.016 9.871 8.501 1.00 40.57 ? 755 HOH A O 1 HETATM 2847 O O . HOH U 10 . ? 10.903 -19.932 13.906 1.00 27.88 ? 756 HOH A O 1 HETATM 2848 O O . HOH U 10 . ? 11.737 18.654 27.725 1.00 40.18 ? 757 HOH A O 1 HETATM 2849 O O . HOH U 10 . ? 41.620 4.723 4.203 1.00 42.95 ? 758 HOH A O 1 HETATM 2850 O O . HOH U 10 . ? 35.284 11.102 7.552 1.00 53.60 ? 759 HOH A O 1 HETATM 2851 O O . HOH U 10 . ? 7.197 -19.285 22.910 1.00 27.48 ? 760 HOH A O 1 HETATM 2852 O O . HOH U 10 . ? 13.251 0.158 27.118 1.00 41.84 ? 761 HOH A O 1 HETATM 2853 O O . HOH U 10 . ? 25.180 -10.598 30.540 1.00 28.97 ? 762 HOH A O 1 HETATM 2854 O O . HOH U 10 . ? 20.901 -9.190 4.429 1.00 32.34 ? 763 HOH A O 1 HETATM 2855 O O . HOH U 10 . ? 19.684 -3.681 6.842 1.00 49.76 ? 764 HOH A O 1 HETATM 2856 O O . HOH U 10 . ? 31.343 19.026 23.352 1.00 39.67 ? 765 HOH A O 1 HETATM 2857 O O . HOH U 10 . ? -8.690 -3.458 4.059 1.00 33.22 ? 766 HOH A O 1 HETATM 2858 O O . HOH U 10 . ? 17.280 -5.846 -9.619 1.00 48.14 ? 767 HOH A O 1 HETATM 2859 O O . HOH U 10 . ? 28.228 17.465 29.736 1.00 21.67 ? 768 HOH A O 1 HETATM 2860 O O . HOH U 10 . ? 12.094 -6.238 27.319 1.00 51.51 ? 769 HOH A O 1 HETATM 2861 O O . HOH U 10 . ? 15.331 -23.594 21.100 1.00 46.43 ? 770 HOH A O 1 HETATM 2862 O O . HOH U 10 . ? 18.614 18.203 14.834 1.00 45.85 ? 771 HOH A O 1 HETATM 2863 O O . HOH U 10 . ? 31.936 -5.578 29.963 1.00 32.44 ? 772 HOH A O 1 HETATM 2864 O O . HOH U 10 . ? 6.751 8.926 15.457 1.00 47.47 ? 773 HOH A O 1 HETATM 2865 O O . HOH U 10 . ? 18.726 1.993 -8.460 1.00 36.59 ? 774 HOH A O 1 HETATM 2866 O O . HOH U 10 . ? 27.964 -6.565 31.682 1.00 25.61 ? 775 HOH A O 1 HETATM 2867 O O . HOH U 10 . ? 22.545 -3.189 1.991 1.00 40.32 ? 776 HOH A O 1 HETATM 2868 O O . HOH U 10 . ? 8.077 18.559 24.351 1.00 37.47 ? 777 HOH A O 1 HETATM 2869 O O . HOH U 10 . ? 13.036 7.974 4.775 1.00 52.71 ? 778 HOH A O 1 HETATM 2870 O O . HOH U 10 . ? 21.685 -0.895 0.246 1.00 36.19 ? 779 HOH A O 1 HETATM 2871 O O . HOH U 10 . ? 9.759 4.025 -0.533 1.00 29.55 ? 780 HOH A O 1 HETATM 2872 O O . HOH U 10 . ? 3.663 7.778 -2.346 1.00 40.52 ? 781 HOH A O 1 HETATM 2873 O O . HOH U 10 . ? 21.263 0.179 7.514 1.00 30.85 ? 782 HOH A O 1 HETATM 2874 O O . HOH U 10 . ? 16.593 -4.462 26.510 1.00 22.23 ? 783 HOH A O 1 HETATM 2875 O O . HOH U 10 . ? 13.183 -20.173 11.689 1.00 51.28 ? 784 HOH A O 1 HETATM 2876 O O . HOH U 10 . ? 20.853 16.940 23.697 1.00 33.99 ? 785 HOH A O 1 HETATM 2877 O O . HOH U 10 . ? 21.837 -15.369 27.806 1.00 36.72 ? 786 HOH A O 1 HETATM 2878 O O . HOH U 10 . ? 6.780 -0.047 24.783 1.00 42.58 ? 787 HOH A O 1 HETATM 2879 O O . HOH U 10 . ? 9.731 -0.005 1.455 1.00 30.18 ? 788 HOH A O 1 HETATM 2880 O O . HOH U 10 . ? -7.500 -7.386 11.994 1.00 49.35 ? 789 HOH A O 1 HETATM 2881 O O . HOH U 10 . ? 20.378 -11.689 13.937 1.00 32.38 ? 790 HOH A O 1 HETATM 2882 O O . HOH U 10 . ? 5.189 -18.612 8.487 1.00 45.30 ? 791 HOH A O 1 HETATM 2883 O O . HOH U 10 . ? 31.839 -6.376 12.675 1.00 34.19 ? 792 HOH A O 1 HETATM 2884 O O . HOH U 10 . ? 15.528 12.507 13.716 1.00 38.55 ? 793 HOH A O 1 HETATM 2885 O O . HOH U 10 . ? 20.461 17.546 13.186 1.00 31.98 ? 794 HOH A O 1 HETATM 2886 O O . HOH U 10 . ? 6.457 15.494 16.511 1.00 37.25 ? 795 HOH A O 1 HETATM 2887 O O . HOH U 10 . ? 20.008 -9.213 13.349 1.00 47.98 ? 796 HOH A O 1 HETATM 2888 O O . HOH U 10 . ? 19.266 15.044 6.844 1.00 45.39 ? 797 HOH A O 1 HETATM 2889 O O . HOH U 10 . ? 22.173 -13.983 12.364 1.00 37.55 ? 798 HOH A O 1 HETATM 2890 O O . HOH U 10 . ? 6.923 17.432 26.645 1.00 59.46 ? 799 HOH A O 1 HETATM 2891 O O . HOH U 10 . ? 5.722 -20.042 10.593 1.00 41.18 ? 800 HOH A O 1 HETATM 2892 O O . HOH U 10 . ? 1.765 -12.974 19.269 1.00 24.47 ? 801 HOH A O 1 HETATM 2893 O O . HOH U 10 . ? 21.335 -4.483 35.516 1.00 43.58 ? 802 HOH A O 1 HETATM 2894 O O . HOH U 10 . ? 37.717 -8.023 17.806 1.00 36.06 ? 803 HOH A O 1 HETATM 2895 O O . HOH U 10 . ? 30.269 -5.195 32.610 1.00 45.33 ? 804 HOH A O 1 HETATM 2896 O O . HOH U 10 . ? 12.075 -11.409 28.054 1.00 44.65 ? 805 HOH A O 1 HETATM 2897 O O . HOH U 10 . ? 21.688 1.911 15.210 1.00 33.83 ? 806 HOH A O 1 HETATM 2898 O O . HOH U 10 . ? -0.915 -2.260 33.126 1.00 47.01 ? 807 HOH A O 1 HETATM 2899 O O . HOH U 10 . ? 31.368 3.999 5.774 1.00 46.44 ? 808 HOH A O 1 HETATM 2900 O O . HOH U 10 . ? 40.692 1.326 30.428 1.00 46.87 ? 809 HOH A O 1 HETATM 2901 O O . HOH U 10 . ? 17.517 -10.427 -5.581 1.00 49.83 ? 810 HOH A O 1 HETATM 2902 O O . HOH U 10 . ? 39.231 10.267 20.210 1.00 36.62 ? 811 HOH A O 1 HETATM 2903 O O . HOH U 10 . ? 14.471 -15.808 -2.201 1.00 49.45 ? 812 HOH A O 1 HETATM 2904 O O . HOH U 10 . ? 25.629 -6.049 32.488 1.00 37.21 ? 813 HOH A O 1 HETATM 2905 O O . HOH U 10 . ? 20.713 1.429 17.519 1.00 35.17 ? 814 HOH A O 1 HETATM 2906 O O . HOH U 10 . ? 11.578 -20.884 3.503 1.00 42.70 ? 815 HOH A O 1 HETATM 2907 O O . HOH U 10 . ? 32.607 -11.810 21.391 1.00 47.40 ? 816 HOH A O 1 HETATM 2908 O O . HOH U 10 . ? 2.245 -20.451 21.166 1.00 33.41 ? 817 HOH A O 1 HETATM 2909 O O . HOH U 10 . ? 30.832 -12.715 16.754 1.00 46.03 ? 818 HOH A O 1 HETATM 2910 O O . HOH U 10 . ? 5.802 -10.262 -7.803 1.00 58.50 ? 819 HOH A O 1 HETATM 2911 O O . HOH U 10 . ? 32.472 -12.827 18.550 1.00 60.69 ? 820 HOH A O 1 HETATM 2912 O O . HOH U 10 . ? 23.663 -11.054 13.143 1.00 43.94 ? 821 HOH A O 1 HETATM 2913 O O . HOH U 10 . ? 7.665 -11.937 -9.709 1.00 48.51 ? 822 HOH A O 1 HETATM 2914 O O . HOH U 10 . ? 7.182 -25.628 15.266 1.00 43.91 ? 823 HOH A O 1 HETATM 2915 O O . HOH U 10 . ? 8.113 -22.332 15.460 1.00 47.59 ? 824 HOH A O 1 HETATM 2916 O O . HOH U 10 . ? 18.678 -3.836 32.785 1.00 43.84 ? 825 HOH A O 1 HETATM 2917 O O . HOH U 10 . ? 29.479 -8.933 2.663 1.00 50.99 ? 826 HOH A O 1 HETATM 2918 O O . HOH U 10 . ? 8.956 17.028 30.935 1.00 44.87 ? 827 HOH A O 1 HETATM 2919 O O . HOH U 10 . ? 35.003 -12.139 19.336 1.00 52.57 ? 828 HOH A O 1 HETATM 2920 O O . HOH U 10 . ? 26.690 -15.366 25.056 1.00 47.16 ? 829 HOH A O 1 HETATM 2921 O O . HOH U 10 . ? 37.475 -12.044 18.131 1.00 41.02 ? 830 HOH A O 1 HETATM 2922 O O . HOH U 10 . ? 9.184 11.803 5.007 1.00 51.77 ? 831 HOH A O 1 HETATM 2923 O O . HOH U 10 . ? 45.395 -0.416 20.458 1.00 39.07 ? 832 HOH A O 1 HETATM 2924 O O . HOH U 10 . ? 9.662 -2.477 28.990 1.00 52.82 ? 833 HOH A O 1 HETATM 2925 O O . HOH U 10 . ? -6.878 -2.101 13.076 1.00 56.18 ? 834 HOH A O 1 HETATM 2926 O O . HOH U 10 . ? -10.193 1.209 5.394 1.00 57.32 ? 835 HOH A O 1 HETATM 2927 O O . HOH U 10 . ? 31.162 -3.080 34.885 1.00 42.82 ? 836 HOH A O 1 HETATM 2928 O O . HOH U 10 . ? 46.276 14.895 19.170 1.00 60.21 ? 837 HOH A O 1 HETATM 2929 O O . HOH U 10 . ? 29.222 -14.493 5.668 1.00 54.35 ? 838 HOH A O 1 HETATM 2930 O O . HOH U 10 . ? -11.825 -4.541 22.909 1.00 58.58 ? 839 HOH A O 1 HETATM 2931 O O . HOH U 10 . ? 27.475 -13.717 3.472 1.00 46.12 ? 840 HOH A O 1 HETATM 2932 O O . HOH U 10 . ? 24.658 -17.143 25.155 1.00 54.27 ? 841 HOH A O 1 HETATM 2933 O O . HOH U 10 . ? 24.839 17.821 19.719 1.00 34.82 ? 842 HOH A O 1 HETATM 2934 O O . HOH U 10 . ? 39.923 -4.765 21.985 1.00 49.76 ? 843 HOH A O 1 HETATM 2935 O O . HOH U 10 . ? 15.081 -18.928 -3.582 1.00 44.74 ? 844 HOH A O 1 HETATM 2936 O O . HOH U 10 . ? -7.371 8.386 17.744 1.00 46.09 ? 845 HOH A O 1 HETATM 2937 O O . HOH U 10 . ? 4.452 10.157 12.247 1.00 38.25 ? 846 HOH A O 1 HETATM 2938 O O . HOH U 10 . ? 47.643 7.626 15.706 1.00 43.13 ? 847 HOH A O 1 HETATM 2939 O O . HOH U 10 . ? 29.163 -9.452 0.054 1.00 38.06 ? 848 HOH A O 1 HETATM 2940 O O . HOH U 10 . ? 32.820 -11.646 12.489 1.00 36.56 ? 849 HOH A O 1 HETATM 2941 O O . HOH U 10 . ? 33.013 -1.882 32.306 1.00 50.02 ? 850 HOH A O 1 HETATM 2942 O O . HOH U 10 . ? 19.754 -0.592 17.145 1.00 43.31 ? 851 HOH A O 1 HETATM 2943 O O . HOH U 10 . ? -1.930 2.770 22.602 1.00 40.26 ? 852 HOH A O 1 HETATM 2944 O O . HOH U 10 . ? 11.929 -12.377 -3.791 1.00 46.01 ? 853 HOH A O 1 HETATM 2945 O O . HOH U 10 . ? -6.976 4.093 16.308 1.00 49.68 ? 854 HOH A O 1 HETATM 2946 O O . HOH U 10 . ? 13.071 -3.516 26.775 1.00 46.14 ? 855 HOH A O 1 HETATM 2947 O O . HOH U 10 . ? 46.107 6.759 13.892 1.00 46.40 ? 856 HOH A O 1 HETATM 2948 O O . HOH U 10 . ? 22.639 -3.436 7.280 1.00 67.83 ? 857 HOH A O 1 HETATM 2949 O O . HOH U 10 . ? 9.966 7.241 -5.581 1.00 40.48 ? 858 HOH A O 1 HETATM 2950 O O . HOH U 10 . ? 1.188 -16.897 25.419 1.00 39.77 ? 859 HOH A O 1 HETATM 2951 O O . HOH U 10 . ? 50.144 15.727 16.540 1.00 38.91 ? 860 HOH A O 1 HETATM 2952 O O . HOH U 10 . ? -7.913 4.933 22.880 1.00 65.96 ? 861 HOH A O 1 HETATM 2953 O O . HOH U 10 . ? 1.712 9.422 7.950 1.00 32.25 ? 862 HOH A O 1 HETATM 2954 O O . HOH U 10 . ? 0.356 10.994 19.508 1.00 45.61 ? 863 HOH A O 1 HETATM 2955 O O . HOH U 10 . ? 38.571 19.581 25.827 1.00 52.22 ? 864 HOH A O 1 HETATM 2956 O O . HOH U 10 . ? 49.071 15.173 18.429 1.00 39.73 ? 865 HOH A O 1 HETATM 2957 O O . HOH U 10 . ? 15.181 9.411 -4.221 1.00 43.19 ? 866 HOH A O 1 HETATM 2958 O O . HOH U 10 . ? 17.133 -19.026 4.331 1.00 39.25 ? 867 HOH A O 1 HETATM 2959 O O . HOH U 10 . ? 47.607 -1.557 24.784 1.00 47.16 ? 868 HOH A O 1 HETATM 2960 O O . HOH U 10 . ? 43.567 2.816 11.927 1.00 60.82 ? 869 HOH A O 1 HETATM 2961 O O . HOH U 10 . ? 9.638 8.700 -2.311 1.00 62.05 ? 870 HOH A O 1 HETATM 2962 O O . HOH U 10 . ? 7.004 -2.896 26.990 1.00 48.36 ? 871 HOH A O 1 HETATM 2963 O O . HOH U 10 . ? 26.282 -10.792 26.800 1.00 53.28 ? 872 HOH A O 1 HETATM 2964 O O . HOH U 10 . ? 36.324 13.658 30.415 1.00 50.01 ? 873 HOH A O 1 HETATM 2965 O O . HOH U 10 . ? -0.291 -20.066 13.640 1.00 45.11 ? 874 HOH A O 1 HETATM 2966 O O . HOH U 10 . ? 10.604 -0.880 30.552 1.00 63.38 ? 875 HOH A O 1 HETATM 2967 O O . HOH U 10 . ? 33.406 -2.184 10.739 1.00 48.85 ? 876 HOH A O 1 HETATM 2968 O O . HOH U 10 . ? 5.587 13.562 15.187 1.00 61.70 ? 877 HOH A O 1 HETATM 2969 O O . HOH U 10 . ? -0.552 -17.054 9.392 1.00 35.85 ? 878 HOH A O 1 HETATM 2970 O O . HOH U 10 . ? 19.473 -19.219 3.717 1.00 40.33 ? 879 HOH A O 1 HETATM 2971 O O . HOH U 10 . ? -4.770 -5.442 -3.191 1.00 53.82 ? 880 HOH A O 1 HETATM 2972 O O . HOH U 10 . ? 25.699 -21.575 20.429 1.00 58.93 ? 881 HOH A O 1 HETATM 2973 O O . HOH U 10 . ? -6.739 17.462 21.162 1.00 50.25 ? 882 HOH A O 1 HETATM 2974 O O . HOH U 10 . ? 24.253 17.526 29.427 1.00 39.69 ? 883 HOH A O 1 HETATM 2975 O O . HOH U 10 . ? 0.668 7.444 8.178 1.00 41.07 ? 884 HOH A O 1 HETATM 2976 O O . HOH U 10 . ? 15.481 23.250 22.463 1.00 32.85 ? 885 HOH A O 1 HETATM 2977 O O . HOH U 10 . ? -4.009 -8.633 -2.823 1.00 35.76 ? 886 HOH A O 1 HETATM 2978 O O . HOH U 10 . ? 17.383 4.565 8.372 1.00 33.85 ? 887 HOH A O 1 HETATM 2979 O O . HOH U 10 . ? 0.792 -2.093 35.939 1.00 48.28 ? 888 HOH A O 1 HETATM 2980 O O . HOH U 10 . ? 29.852 17.255 33.995 1.00 42.03 ? 889 HOH A O 1 HETATM 2981 O O . HOH U 10 . ? 16.805 15.236 28.612 1.00 36.45 ? 890 HOH A O 1 HETATM 2982 O O . HOH U 10 . ? 42.422 0.184 32.577 1.00 44.87 ? 891 HOH A O 1 HETATM 2983 O O . HOH U 10 . ? -2.603 16.883 27.013 1.00 52.03 ? 892 HOH A O 1 HETATM 2984 O O . HOH U 10 . ? 15.649 17.788 12.931 1.00 46.29 ? 893 HOH A O 1 HETATM 2985 O O . HOH U 10 . ? 18.058 6.747 9.531 1.00 40.21 ? 894 HOH A O 1 HETATM 2986 O O . HOH U 10 . ? 26.162 24.495 3.158 1.00 46.56 ? 895 HOH A O 1 HETATM 2987 O O . HOH U 10 . ? 3.459 9.985 9.446 1.00 55.50 ? 896 HOH A O 1 HETATM 2988 O O . HOH U 10 . ? 4.365 12.064 8.255 1.00 30.58 ? 897 HOH A O 1 HETATM 2989 O O . HOH U 10 . ? 46.059 -2.586 21.863 1.00 51.75 ? 898 HOH A O 1 HETATM 2990 O O . HOH U 10 . ? 29.059 23.744 21.340 1.00 58.63 ? 899 HOH A O 1 HETATM 2991 O O . HOH U 10 . ? 33.109 -13.567 14.690 1.00 50.92 ? 900 HOH A O 1 HETATM 2992 O O . HOH U 10 . ? 16.428 -22.622 16.263 1.00 44.23 ? 901 HOH A O 1 HETATM 2993 O O . HOH U 10 . ? 3.562 4.197 20.972 1.00 52.21 ? 902 HOH A O 1 HETATM 2994 O O . HOH U 10 . ? 40.078 -9.793 18.718 1.00 49.41 ? 903 HOH A O 1 HETATM 2995 O O . HOH U 10 . ? 13.241 17.883 9.654 1.00 55.41 ? 904 HOH A O 1 HETATM 2996 O O . HOH U 10 . ? 10.006 -11.812 -8.530 1.00 50.77 ? 905 HOH A O 1 HETATM 2997 O O . HOH U 10 . ? 33.889 -9.161 5.294 1.00 61.56 ? 906 HOH A O 1 HETATM 2998 O O . HOH U 10 . ? 6.874 -22.395 13.211 1.00 55.34 ? 907 HOH A O 1 HETATM 2999 O O . HOH U 10 . ? 35.474 -11.772 22.147 1.00 61.77 ? 908 HOH A O 1 HETATM 3000 O O . HOH U 10 . ? 29.530 -10.127 13.344 1.00 42.10 ? 909 HOH A O 1 HETATM 3001 O O . HOH U 10 . ? -7.966 4.246 10.418 1.00 58.02 ? 910 HOH A O 1 HETATM 3002 O O . HOH U 10 . ? -7.734 5.818 7.348 1.00 41.75 ? 911 HOH A O 1 HETATM 3003 O O . HOH U 10 . ? 20.321 -21.182 1.941 1.00 56.60 ? 912 HOH A O 1 HETATM 3004 O O . HOH U 10 . ? 49.209 6.045 21.566 1.00 46.18 ? 913 HOH A O 1 HETATM 3005 O O . HOH U 10 . ? 9.248 -24.424 3.204 1.00 44.95 ? 914 HOH A O 1 HETATM 3006 O O . HOH U 10 . ? -8.677 -13.429 6.598 1.00 44.03 ? 915 HOH A O 1 HETATM 3007 O O . HOH U 10 . ? 21.302 -6.951 13.306 1.00 50.41 ? 916 HOH A O 1 HETATM 3008 O O . HOH U 10 . ? 9.354 -17.972 -0.585 1.00 57.81 ? 917 HOH A O 1 HETATM 3009 O O . HOH U 10 . ? 18.897 17.369 27.928 1.00 49.33 ? 918 HOH A O 1 HETATM 3010 O O . HOH U 10 . ? 11.276 -22.166 9.767 1.00 46.43 ? 919 HOH A O 1 HETATM 3011 O O . HOH U 10 . ? 48.014 3.642 22.479 1.00 51.36 ? 920 HOH A O 1 HETATM 3012 O O . HOH U 10 . ? 10.703 -15.494 -1.862 1.00 57.30 ? 921 HOH A O 1 HETATM 3013 O O . HOH U 10 . ? -12.859 -2.208 24.793 1.00 47.73 ? 922 HOH A O 1 HETATM 3014 O O . HOH U 10 . ? -11.962 -1.619 5.509 1.00 52.52 ? 923 HOH A O 1 HETATM 3015 O O . HOH U 10 . ? 48.150 13.108 24.110 1.00 59.11 ? 924 HOH A O 1 HETATM 3016 O O . HOH U 10 . ? 12.997 11.863 35.043 1.00 55.82 ? 925 HOH A O 1 HETATM 3017 O O . HOH U 10 . ? -1.425 -21.700 12.188 1.00 46.04 ? 926 HOH A O 1 HETATM 3018 O O . HOH U 10 . ? 9.502 -0.926 34.060 1.00 55.70 ? 927 HOH A O 1 HETATM 3019 O O . HOH U 10 . ? -0.061 -4.912 -8.165 1.00 36.40 ? 928 HOH A O 1 HETATM 3020 O O . HOH U 10 . ? 46.606 12.607 15.724 1.00 54.48 ? 929 HOH A O 1 HETATM 3021 O O . HOH U 10 . ? -8.620 -11.922 10.776 1.00 53.19 ? 930 HOH A O 1 HETATM 3022 O O . HOH U 10 . ? -7.954 1.692 10.117 1.00 68.85 ? 931 HOH A O 1 HETATM 3023 O O . HOH U 10 . ? -11.249 -6.487 7.525 1.00 53.70 ? 932 HOH A O 1 HETATM 3024 O O . HOH U 10 . ? 8.365 -20.852 7.047 1.00 50.93 ? 933 HOH A O 1 HETATM 3025 O O . HOH U 10 . ? -13.321 -4.554 18.040 1.00 53.16 ? 934 HOH A O 1 HETATM 3026 O O . HOH U 10 . ? 12.556 4.159 32.626 1.00 43.40 ? 935 HOH A O 1 HETATM 3027 O O . HOH U 10 . ? -11.033 -11.644 8.415 1.00 50.76 ? 936 HOH A O 1 HETATM 3028 O O . HOH U 10 . ? 31.546 -9.442 11.874 1.00 46.75 ? 937 HOH A O 1 HETATM 3029 O O . HOH U 10 . ? 25.388 -20.685 10.612 1.00 60.10 ? 938 HOH A O 1 HETATM 3030 O O . HOH U 10 . ? 31.419 -7.629 6.181 1.00 52.69 ? 939 HOH A O 1 HETATM 3031 O O . HOH U 10 . ? 11.526 8.442 40.008 1.00 49.34 ? 940 HOH A O 1 HETATM 3032 O O . HOH U 10 . ? 25.203 -17.991 14.772 1.00 36.05 ? 941 HOH A O 1 HETATM 3033 O O . HOH U 10 . ? 13.101 -0.772 38.404 1.00 71.77 ? 942 HOH A O 1 HETATM 3034 O O . HOH U 10 . ? -6.263 11.286 18.269 1.00 49.84 ? 943 HOH A O 1 HETATM 3035 O O . HOH U 10 . ? 17.731 22.328 -1.181 1.00 72.40 ? 944 HOH A O 1 HETATM 3036 O O . HOH U 10 . ? 22.265 -18.395 7.812 1.00 47.86 ? 945 HOH A O 1 HETATM 3037 O O . HOH U 10 . ? 12.853 -15.031 -4.129 1.00 54.54 ? 946 HOH A O 1 HETATM 3038 O O . HOH U 10 . ? 13.395 -24.363 10.631 1.00 58.32 ? 947 HOH A O 1 HETATM 3039 O O . HOH U 10 . ? 17.137 23.910 1.398 1.00 57.24 ? 948 HOH A O 1 HETATM 3040 O O . HOH U 10 . ? 4.819 7.703 -5.985 1.00 50.77 ? 949 HOH A O 1 HETATM 3041 O O . HOH U 10 . ? 11.879 23.265 21.153 1.00 37.28 ? 950 HOH A O 1 HETATM 3042 O O . HOH U 10 . ? -7.252 2.758 24.985 1.00 53.29 ? 951 HOH A O 1 HETATM 3043 O O . HOH U 10 . ? 33.187 -6.544 3.588 1.00 42.18 ? 952 HOH A O 1 HETATM 3044 O O . HOH U 10 . ? 6.755 -1.760 34.272 1.00 49.64 ? 953 HOH A O 1 HETATM 3045 O O . HOH U 10 . ? 6.827 6.673 -6.556 1.00 45.55 ? 954 HOH A O 1 HETATM 3046 O O . HOH U 10 . ? 2.067 -19.964 24.588 1.00 57.84 ? 955 HOH A O 1 HETATM 3047 O O . HOH U 10 . ? 14.487 -21.399 5.361 1.00 47.28 ? 956 HOH A O 1 HETATM 3048 O O . HOH U 10 . ? 9.656 -26.681 1.745 1.00 39.96 ? 957 HOH A O 1 HETATM 3049 O O . HOH U 10 . ? 9.438 -21.453 12.200 1.00 50.78 ? 958 HOH A O 1 HETATM 3050 O O . HOH U 10 . ? 45.351 -4.018 31.387 1.00 41.47 ? 959 HOH A O 1 HETATM 3051 O O . HOH U 10 . ? -7.909 7.460 5.437 1.00 51.39 ? 960 HOH A O 1 HETATM 3052 O O . HOH U 10 . ? -8.188 8.327 9.581 1.00 46.42 ? 961 HOH A O 1 HETATM 3053 O O . HOH U 10 . ? -9.334 1.841 13.304 1.00 56.86 ? 962 HOH A O 1 HETATM 3054 O O . HOH U 10 . ? 12.623 -24.044 3.963 1.00 69.13 ? 963 HOH A O 1 HETATM 3055 O O . HOH U 10 . ? 33.343 -15.207 5.370 1.00 74.30 ? 964 HOH A O 1 HETATM 3056 O O . HOH U 10 . ? -11.046 -5.309 17.798 1.00 50.26 ? 965 HOH A O 1 HETATM 3057 O O . HOH U 10 . ? 46.375 15.339 22.534 1.00 62.03 ? 966 HOH A O 1 HETATM 3058 O O . HOH U 10 . ? 10.749 -3.017 32.235 1.00 60.07 ? 967 HOH A O 1 HETATM 3059 O O . HOH U 10 . ? 32.248 -12.310 5.000 1.00 54.66 ? 968 HOH A O 1 HETATM 3060 O O . HOH U 10 . ? -11.228 -0.651 12.008 1.00 68.37 ? 969 HOH A O 1 HETATM 3061 O O . HOH U 10 . ? 43.843 -1.103 30.538 1.00 51.23 ? 970 HOH A O 1 HETATM 3062 O O . HOH U 10 . ? 46.841 10.099 17.653 1.00 56.01 ? 971 HOH A O 1 HETATM 3063 O O . HOH U 10 . ? 5.200 18.643 8.732 1.00 75.43 ? 972 HOH A O 1 HETATM 3064 O O . HOH U 10 . ? 12.736 16.412 5.226 1.00 51.40 ? 973 HOH A O 1 HETATM 3065 O O . HOH U 10 . ? 5.724 13.704 9.602 1.00 49.12 ? 974 HOH A O 1 HETATM 3066 O O . HOH U 10 . ? 7.391 13.759 6.785 1.00 48.57 ? 975 HOH A O 1 HETATM 3067 O O . HOH U 10 . ? 8.778 16.010 6.370 1.00 51.04 ? 976 HOH A O 1 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 TYR 1 342 342 TYR TYR A . n A 1 2 THR 2 343 343 THR THR A . n A 1 3 ARG 3 344 344 ARG ARG A . n A 1 4 VAL 4 345 345 VAL VAL A . n A 1 5 VAL 5 346 346 VAL VAL A . n A 1 6 TRP 6 347 347 TRP TRP A . n A 1 7 CYS 7 348 348 CYS CYS A . n A 1 8 ALA 8 349 349 ALA ALA A . n A 1 9 VAL 9 350 350 VAL VAL A . n A 1 10 GLY 10 351 351 GLY GLY A . n A 1 11 PRO 11 352 352 PRO PRO A . n A 1 12 GLU 12 353 353 GLU GLU A . n A 1 13 GLU 13 354 354 GLU GLU A . n A 1 14 GLN 14 355 355 GLN GLN A . n A 1 15 LYS 15 356 356 LYS LYS A . n A 1 16 LYS 16 357 357 LYS LYS A . n A 1 17 CYS 17 358 358 CYS CYS A . n A 1 18 GLN 18 359 359 GLN GLN A . n A 1 19 GLN 19 360 360 GLN GLN A . n A 1 20 TRP 20 361 361 TRP TRP A . n A 1 21 SER 21 362 362 SER SER A . n A 1 22 GLN 22 363 363 GLN GLN A . n A 1 23 GLN 23 364 364 GLN GLN A . n A 1 24 SER 24 365 365 SER SER A . n A 1 25 GLY 25 366 366 GLY GLY A . n A 1 26 GLN 26 367 367 GLN GLN A . n A 1 27 ASN 27 368 368 ASN ASN A . n A 1 28 VAL 28 369 369 VAL VAL A . n A 1 29 THR 29 370 370 THR THR A . n A 1 30 CYS 30 371 371 CYS CYS A . n A 1 31 ALA 31 372 372 ALA ALA A . n A 1 32 THR 32 373 373 THR THR A . n A 1 33 ALA 33 374 374 ALA ALA A . n A 1 34 SER 34 375 375 SER SER A . n A 1 35 THR 35 376 376 THR THR A . n A 1 36 THR 36 377 377 THR THR A . n A 1 37 ASP 37 378 378 ASP ASP A . n A 1 38 ASP 38 379 379 ASP ASP A . n A 1 39 CYS 39 380 380 CYS CYS A . n A 1 40 ILE 40 381 381 ILE ILE A . n A 1 41 VAL 41 382 382 VAL VAL A . n A 1 42 LEU 42 383 383 LEU LEU A . n A 1 43 VAL 43 384 384 VAL VAL A . n A 1 44 LEU 44 385 385 LEU LEU A . n A 1 45 LYS 45 386 386 LYS LYS A . n A 1 46 GLY 46 387 387 GLY GLY A . n A 1 47 GLU 47 388 388 GLU GLU A . n A 1 48 ALA 48 389 389 ALA ALA A . n A 1 49 ASP 49 390 390 ASP ASP A . n A 1 50 ALA 50 391 391 ALA ALA A . n A 1 51 LEU 51 392 392 LEU LEU A . n A 1 52 ASN 52 393 393 ASN ASN A . n A 1 53 LEU 53 394 394 LEU LEU A . n A 1 54 ASP 54 395 395 ASP ASP A . n A 1 55 GLY 55 396 396 GLY GLY A . n A 1 56 GLY 56 397 397 GLY GLY A . n A 1 57 TYR 57 398 398 TYR TYR A . n A 1 58 ILE 58 399 399 ILE ILE A . n A 1 59 TYR 59 400 400 TYR TYR A . n A 1 60 THR 60 401 401 THR THR A . n A 1 61 ALA 61 402 402 ALA ALA A . n A 1 62 GLY 62 403 403 GLY GLY A . n A 1 63 LYS 63 404 404 LYS LYS A . n A 1 64 CYS 64 405 405 CYS CYS A . n A 1 65 GLY 65 406 406 GLY GLY A . n A 1 66 LEU 66 407 407 LEU LEU A . n A 1 67 VAL 67 408 408 VAL VAL A . n A 1 68 PRO 68 409 409 PRO PRO A . n A 1 69 VAL 69 410 410 VAL VAL A . n A 1 70 LEU 70 411 411 LEU LEU A . n A 1 71 ALA 71 412 412 ALA ALA A . n A 1 72 GLU 72 413 413 GLU GLU A . n A 1 73 ASN 73 414 414 ASN ASN A . n A 1 74 ARG 74 415 415 ARG ARG A . n A 1 75 LYS 75 416 416 LYS LYS A . n A 1 76 SER 76 417 417 SER SER A . n A 1 77 SER 77 418 418 SER SER A . n A 1 78 LYS 78 419 419 LYS LYS A . n A 1 79 HIS 79 420 420 HIS HIS A . n A 1 80 SER 80 421 421 SER SER A . n A 1 81 SER 81 422 422 SER SER A . n A 1 82 LEU 82 423 423 LEU LEU A . n A 1 83 ASP 83 424 424 ASP ASP A . n A 1 84 CYS 84 425 425 CYS CYS A . n A 1 85 VAL 85 426 426 VAL VAL A . n A 1 86 LEU 86 427 427 LEU LEU A . n A 1 87 ARG 87 428 428 ARG ARG A . n A 1 88 PRO 88 429 429 PRO PRO A . n A 1 89 THR 89 430 430 THR THR A . n A 1 90 GLU 90 431 431 GLU GLU A . n A 1 91 GLY 91 432 432 GLY GLY A . n A 1 92 TYR 92 433 433 TYR TYR A . n A 1 93 LEU 93 434 434 LEU LEU A . n A 1 94 ALA 94 435 435 ALA ALA A . n A 1 95 VAL 95 436 436 VAL VAL A . n A 1 96 ALA 96 437 437 ALA ALA A . n A 1 97 VAL 97 438 438 VAL VAL A . n A 1 98 VAL 98 439 439 VAL VAL A . n A 1 99 LYS 99 440 440 LYS LYS A . n A 1 100 LYS 100 441 441 LYS LYS A . n A 1 101 ALA 101 442 442 ALA ALA A . n A 1 102 ASN 102 443 443 ASN ASN A . n A 1 103 GLU 103 444 444 GLU GLU A . n A 1 104 GLY 104 445 445 GLY GLY A . n A 1 105 LEU 105 446 446 LEU LEU A . n A 1 106 THR 106 447 447 THR THR A . n A 1 107 TRP 107 448 448 TRP TRP A . n A 1 108 ASN 108 449 449 ASN ASN A . n A 1 109 SER 109 450 450 SER SER A . n A 1 110 LEU 110 451 451 LEU LEU A . n A 1 111 LYS 111 452 452 LYS LYS A . n A 1 112 ASP 112 453 453 ASP ASP A . n A 1 113 LYS 113 454 454 LYS LYS A . n A 1 114 LYS 114 455 455 LYS LYS A . n A 1 115 SER 115 456 456 SER SER A . n A 1 116 CYS 116 457 457 CYS CYS A . n A 1 117 HIS 117 458 458 HIS HIS A . n A 1 118 THR 118 459 459 THR THR A . n A 1 119 ALA 119 460 460 ALA ALA A . n A 1 120 VAL 120 461 461 VAL VAL A . n A 1 121 ASP 121 462 462 ASP ASP A . n A 1 122 ARG 122 463 463 ARG ARG A . n A 1 123 THR 123 464 464 THR THR A . n A 1 124 ALA 124 465 465 ALA ALA A . n A 1 125 GLY 125 466 466 GLY GLY A . n A 1 126 TRP 126 467 467 TRP TRP A . n A 1 127 ASN 127 468 468 ASN ASN A . n A 1 128 ILE 128 469 469 ILE ILE A . n A 1 129 PRO 129 470 470 PRO PRO A . n A 1 130 MET 130 471 471 MET MET A . n A 1 131 GLY 131 472 472 GLY GLY A . n A 1 132 LEU 132 473 473 LEU LEU A . n A 1 133 ILE 133 474 474 ILE ILE A . n A 1 134 VAL 134 475 475 VAL VAL A . n A 1 135 ASN 135 476 476 ASN ASN A . n A 1 136 GLN 136 477 477 GLN GLN A . n A 1 137 THR 137 478 478 THR THR A . n A 1 138 GLY 138 479 479 GLY GLY A . n A 1 139 SER 139 480 480 SER SER A . n A 1 140 CYS 140 481 481 CYS CYS A . n A 1 141 ALA 141 482 482 ALA ALA A . n A 1 142 PHE 142 483 483 PHE PHE A . n A 1 143 ASP 143 484 484 ASP ASP A . n A 1 144 GLU 144 485 485 GLU GLU A . n A 1 145 PHE 145 486 486 PHE PHE A . n A 1 146 PHE 146 487 487 PHE PHE A . n A 1 147 SER 147 488 488 SER SER A . n A 1 148 GLN 148 489 489 GLN GLN A . n A 1 149 SER 149 490 490 SER SER A . n A 1 150 CYS 150 491 491 CYS CYS A . n A 1 151 ALA 151 492 492 ALA ALA A . n A 1 152 PRO 152 493 493 PRO PRO A . n A 1 153 GLY 153 494 494 GLY GLY A . n A 1 154 ALA 154 495 495 ALA ALA A . n A 1 155 ASP 155 496 496 ASP ASP A . n A 1 156 PRO 156 497 497 PRO PRO A . n A 1 157 LYS 157 498 498 LYS LYS A . n A 1 158 SER 158 499 499 SER SER A . n A 1 159 ARG 159 500 500 ARG ARG A . n A 1 160 LEU 160 501 501 LEU LEU A . n A 1 161 CYS 161 502 502 CYS CYS A . n A 1 162 ALA 162 503 503 ALA ALA A . n A 1 163 LEU 163 504 504 LEU LEU A . n A 1 164 CYS 164 505 505 CYS CYS A . n A 1 165 ALA 165 506 506 ALA ALA A . n A 1 166 GLY 166 507 507 GLY GLY A . n A 1 167 ASP 167 508 508 ASP ASP A . n A 1 168 ASP 168 509 509 ASP ASP A . n A 1 169 GLN 169 510 510 GLN GLN A . n A 1 170 GLY 170 511 511 GLY GLY A . n A 1 171 LEU 171 512 512 LEU LEU A . n A 1 172 ASP 172 513 513 ASP ASP A . n A 1 173 LYS 173 514 514 LYS LYS A . n A 1 174 CYS 174 515 515 CYS CYS A . n A 1 175 VAL 175 516 516 VAL VAL A . n A 1 176 PRO 176 517 517 PRO PRO A . n A 1 177 ASN 177 518 518 ASN ASN A . n A 1 178 SER 178 519 519 SER SER A . n A 1 179 LYS 179 520 520 LYS LYS A . n A 1 180 GLU 180 521 521 GLU GLU A . n A 1 181 LYS 181 522 522 LYS LYS A . n A 1 182 TYR 182 523 523 TYR TYR A . n A 1 183 TYR 183 524 524 TYR TYR A . n A 1 184 GLY 184 525 525 GLY GLY A . n A 1 185 TYR 185 526 526 TYR TYR A . n A 1 186 THR 186 527 527 THR THR A . n A 1 187 GLY 187 528 528 GLY GLY A . n A 1 188 ALA 188 529 529 ALA ALA A . n A 1 189 PHE 189 530 530 PHE PHE A . n A 1 190 ARG 190 531 531 ARG ARG A . n A 1 191 CYS 191 532 532 CYS CYS A . n A 1 192 LEU 192 533 533 LEU LEU A . n A 1 193 ALA 193 534 534 ALA ALA A . n A 1 194 GLU 194 535 535 GLU GLU A . n A 1 195 ASP 195 536 536 ASP ASP A . n A 1 196 VAL 196 537 537 VAL VAL A . n A 1 197 GLY 197 538 538 GLY GLY A . n A 1 198 ASP 198 539 539 ASP ASP A . n A 1 199 VAL 199 540 540 VAL VAL A . n A 1 200 ALA 200 541 541 ALA ALA A . n A 1 201 PHE 201 542 542 PHE PHE A . n A 1 202 VAL 202 543 543 VAL VAL A . n A 1 203 LYS 203 544 544 LYS LYS A . n A 1 204 ASN 204 545 545 ASN ASN A . n A 1 205 ASP 205 546 546 ASP ASP A . n A 1 206 THR 206 547 547 THR THR A . n A 1 207 VAL 207 548 548 VAL VAL A . n A 1 208 TRP 208 549 549 TRP TRP A . n A 1 209 GLU 209 550 550 GLU GLU A . n A 1 210 ASN 210 551 551 ASN ASN A . n A 1 211 THR 211 552 552 THR THR A . n A 1 212 ASN 212 553 553 ASN ASN A . n A 1 213 GLY 213 554 554 GLY GLY A . n A 1 214 GLU 214 555 555 GLU GLU A . n A 1 215 SER 215 556 556 SER SER A . n A 1 216 THR 216 557 557 THR THR A . n A 1 217 ALA 217 558 558 ALA ALA A . n A 1 218 ASP 218 559 559 ASP ASP A . n A 1 219 TRP 219 560 560 TRP TRP A . n A 1 220 ALA 220 561 561 ALA ALA A . n A 1 221 LYS 221 562 562 LYS LYS A . n A 1 222 ASN 222 563 563 ASN ASN A . n A 1 223 LEU 223 564 564 LEU LEU A . n A 1 224 LYS 224 565 565 LYS LYS A . n A 1 225 ARG 225 566 566 ARG ARG A . n A 1 226 GLU 226 567 567 GLU GLU A . n A 1 227 ASP 227 568 568 ASP ASP A . n A 1 228 PHE 228 569 569 PHE PHE A . n A 1 229 ARG 229 570 570 ARG ARG A . n A 1 230 LEU 230 571 571 LEU LEU A . n A 1 231 LEU 231 572 572 LEU LEU A . n A 1 232 CYS 232 573 573 CYS CYS A . n A 1 233 LEU 233 574 574 LEU LEU A . n A 1 234 ASP 234 575 575 ASP ASP A . n A 1 235 GLY 235 576 576 GLY GLY A . n A 1 236 THR 236 577 577 THR THR A . n A 1 237 ARG 237 578 578 ARG ARG A . n A 1 238 LYS 238 579 579 LYS LYS A . n A 1 239 PRO 239 580 580 PRO PRO A . n A 1 240 VAL 240 581 581 VAL VAL A . n A 1 241 THR 241 582 582 THR THR A . n A 1 242 GLU 242 583 583 GLU GLU A . n A 1 243 ALA 243 584 584 ALA ALA A . n A 1 244 GLN 244 585 585 GLN GLN A . n A 1 245 SER 245 586 586 SER SER A . n A 1 246 CYS 246 587 587 CYS CYS A . n A 1 247 HIS 247 588 588 HIS HIS A . n A 1 248 LEU 248 589 589 LEU LEU A . n A 1 249 ALA 249 590 590 ALA ALA A . n A 1 250 VAL 250 591 591 VAL VAL A . n A 1 251 ALA 251 592 592 ALA ALA A . n A 1 252 PRO 252 593 593 PRO PRO A . n A 1 253 ASN 253 594 594 ASN ASN A . n A 1 254 HIS 254 595 595 HIS HIS A . n A 1 255 ALA 255 596 596 ALA ALA A . n A 1 256 VAL 256 597 597 VAL VAL A . n A 1 257 VAL 257 598 598 VAL VAL A . n A 1 258 SER 258 599 599 SER SER A . n A 1 259 ARG 259 600 600 ARG ARG A . n A 1 260 SER 260 601 601 SER SER A . n A 1 261 ASP 261 602 602 ASP ASP A . n A 1 262 ARG 262 603 603 ARG ARG A . n A 1 263 ALA 263 604 604 ALA ALA A . n A 1 264 ALA 264 605 605 ALA ALA A . n A 1 265 HIS 265 606 606 HIS HIS A . n A 1 266 VAL 266 607 607 VAL VAL A . n A 1 267 GLU 267 608 608 GLU GLU A . n A 1 268 GLN 268 609 609 GLN GLN A . n A 1 269 VAL 269 610 610 VAL VAL A . n A 1 270 LEU 270 611 611 LEU LEU A . n A 1 271 LEU 271 612 612 LEU LEU A . n A 1 272 HIS 272 613 613 HIS HIS A . n A 1 273 GLN 273 614 614 GLN GLN A . n A 1 274 GLN 274 615 615 GLN GLN A . n A 1 275 ALA 275 616 616 ALA ALA A . n A 1 276 LEU 276 617 617 LEU LEU A . n A 1 277 PHE 277 618 618 PHE PHE A . n A 1 278 GLY 278 619 619 GLY GLY A . n A 1 279 LYS 279 620 620 LYS LYS A . n A 1 280 ASN 280 621 621 ASN ASN A . n A 1 281 GLY 281 622 622 GLY GLY A . n A 1 282 LYS 282 623 623 LYS LYS A . n A 1 283 ASN 283 624 624 ASN ASN A . n A 1 284 CYS 284 625 625 CYS CYS A . n A 1 285 PRO 285 626 626 PRO PRO A . n A 1 286 ASP 286 627 627 ASP ASP A . n A 1 287 LYS 287 628 628 LYS LYS A . n A 1 288 PHE 288 629 629 PHE PHE A . n A 1 289 CYS 289 630 630 CYS CYS A . n A 1 290 LEU 290 631 631 LEU LEU A . n A 1 291 PHE 291 632 632 PHE PHE A . n A 1 292 LYS 292 633 633 LYS LYS A . n A 1 293 SER 293 634 634 SER SER A . n A 1 294 GLU 294 635 635 GLU GLU A . n A 1 295 THR 295 636 636 THR THR A . n A 1 296 LYS 296 637 637 LYS LYS A . n A 1 297 ASN 297 638 638 ASN ASN A . n A 1 298 LEU 298 639 639 LEU LEU A . n A 1 299 LEU 299 640 640 LEU LEU A . n A 1 300 PHE 300 641 641 PHE PHE A . n A 1 301 ASN 301 642 642 ASN ASN A . n A 1 302 ASP 302 643 643 ASP ASP A . n A 1 303 ASN 303 644 644 ASN ASN A . n A 1 304 THR 304 645 645 THR THR A . n A 1 305 GLU 305 646 646 GLU GLU A . n A 1 306 CYS 306 647 647 CYS CYS A . n A 1 307 LEU 307 648 648 LEU LEU A . n A 1 308 ALA 308 649 649 ALA ALA A . n A 1 309 LYS 309 650 650 LYS LYS A . n A 1 310 LEU 310 651 651 LEU LEU A . n A 1 311 GLY 311 652 652 GLY GLY A . n A 1 312 GLY 312 653 653 GLY GLY A . n A 1 313 ARG 313 654 654 ARG ARG A . n A 1 314 PRO 314 655 655 PRO PRO A . n A 1 315 THR 315 656 656 THR THR A . n A 1 316 TYR 316 657 657 TYR TYR A . n A 1 317 GLU 317 658 658 GLU GLU A . n A 1 318 GLU 318 659 659 GLU GLU A . n A 1 319 TYR 319 660 660 TYR TYR A . n A 1 320 LEU 320 661 661 LEU LEU A . n A 1 321 GLY 321 662 662 GLY GLY A . n A 1 322 THR 322 663 663 THR THR A . n A 1 323 GLU 323 664 664 GLU GLU A . n A 1 324 TYR 324 665 665 TYR TYR A . n A 1 325 VAL 325 666 666 VAL VAL A . n A 1 326 THR 326 667 667 THR THR A . n A 1 327 ALA 327 668 668 ALA ALA A . n A 1 328 ILE 328 669 669 ILE ILE A . n A 1 329 ALA 329 670 670 ALA ALA A . n A 1 330 ASN 330 671 671 ASN ASN A . n A 1 331 LEU 331 672 672 LEU LEU A . n A 1 332 LYS 332 673 673 LYS LYS A . n A 1 333 LYS 333 674 674 LYS LYS A . n A 1 334 CYS 334 675 675 CYS CYS A . n A 1 335 SER 335 676 676 SER SER A . n A 1 336 THR 336 677 ? ? ? A . n A 1 337 SER 337 678 ? ? ? A . n A 1 338 PRO 338 679 ? ? ? A . n A 1 339 LEU 339 680 ? ? ? A . n A 1 340 LEU 340 681 681 LEU LEU A . n A 1 341 GLU 341 682 682 GLU GLU A . n A 1 342 ALA 342 683 683 ALA ALA A . n A 1 343 CYS 343 684 684 CYS CYS A . n A 1 344 ALA 344 685 685 ALA ALA A . n A 1 345 PHE 345 686 ? ? ? A . n A 1 346 LEU 346 687 ? ? ? A . n A 1 347 THR 347 688 ? ? ? A . n A 1 348 ARG 348 689 ? ? ? A . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 NAG 1 1 1 NAG NAG A . C 2 NAG 1 2 2 NAG NAG A . D 2 NAG 2 3 3 NAG NAG A . E 3 BMA 3 4 4 BMA MAN A . F 2 NAG 1 5 5 NAG NAG A . G 2 NAG 2 6 6 NAG NAG A . H 3 BMA 3 7 7 BMA MAN A . I 4 MAN 4 8 8 MAN MAN A . J 4 MAN 5 9 9 MAN MAN A . K 4 MAN 6 10 10 MAN MAN A . L 2 NAG 1 690 1 NAG NAG A . M 5 NDG 2 691 2 NDG NAG A . N 2 NAG 3 692 3 NAG NAG A . O 2 NAG 4 693 4 NAG NAG A . P 6 ZN 1 302 2 ZN ZN A . Q 6 ZN 1 303 3 ZN ZN A . R 7 FE 1 694 686 FE FE A . S 8 CO3 1 695 687 CO3 CO3 A . T 9 SO4 1 301 1 SO4 SO4 A . U 10 HOH 1 696 1 HOH HOH A . U 10 HOH 2 697 2 HOH HOH A . U 10 HOH 3 698 3 HOH HOH A . U 10 HOH 4 699 4 HOH HOH A . U 10 HOH 5 700 5 HOH HOH A . U 10 HOH 6 701 6 HOH HOH A . U 10 HOH 7 702 7 HOH HOH A . U 10 HOH 8 703 8 HOH HOH A . U 10 HOH 9 704 9 HOH HOH A . U 10 HOH 10 705 10 HOH HOH A . U 10 HOH 11 706 11 HOH HOH A . U 10 HOH 12 707 12 HOH HOH A . U 10 HOH 13 708 13 HOH HOH A . U 10 HOH 14 709 14 HOH HOH A . U 10 HOH 15 710 15 HOH HOH A . U 10 HOH 16 711 16 HOH HOH A . U 10 HOH 17 712 17 HOH HOH A . U 10 HOH 18 713 18 HOH HOH A . U 10 HOH 19 714 19 HOH HOH A . U 10 HOH 20 715 20 HOH HOH A . U 10 HOH 21 716 21 HOH HOH A . U 10 HOH 22 717 22 HOH HOH A . U 10 HOH 23 718 23 HOH HOH A . U 10 HOH 24 719 24 HOH HOH A . U 10 HOH 25 720 25 HOH HOH A . U 10 HOH 26 721 26 HOH HOH A . U 10 HOH 27 722 27 HOH HOH A . U 10 HOH 28 723 28 HOH HOH A . U 10 HOH 29 724 29 HOH HOH A . U 10 HOH 30 725 30 HOH HOH A . U 10 HOH 31 726 31 HOH HOH A . U 10 HOH 32 727 32 HOH HOH A . U 10 HOH 33 728 33 HOH HOH A . U 10 HOH 34 729 34 HOH HOH A . U 10 HOH 35 730 35 HOH HOH A . U 10 HOH 36 731 36 HOH HOH A . U 10 HOH 37 732 37 HOH HOH A . U 10 HOH 38 733 38 HOH HOH A . U 10 HOH 39 734 39 HOH HOH A . U 10 HOH 40 735 40 HOH HOH A . U 10 HOH 41 736 41 HOH HOH A . U 10 HOH 42 737 42 HOH HOH A . U 10 HOH 43 738 43 HOH HOH A . U 10 HOH 44 739 44 HOH HOH A . U 10 HOH 45 740 45 HOH HOH A . U 10 HOH 46 741 46 HOH HOH A . U 10 HOH 47 742 47 HOH HOH A . U 10 HOH 48 743 48 HOH HOH A . U 10 HOH 49 744 49 HOH HOH A . U 10 HOH 50 745 50 HOH HOH A . U 10 HOH 51 746 51 HOH HOH A . U 10 HOH 52 747 52 HOH HOH A . U 10 HOH 53 748 53 HOH HOH A . U 10 HOH 54 749 54 HOH HOH A . U 10 HOH 55 750 55 HOH HOH A . U 10 HOH 56 751 56 HOH HOH A . U 10 HOH 57 752 57 HOH HOH A . U 10 HOH 58 753 58 HOH HOH A . U 10 HOH 59 754 59 HOH HOH A . U 10 HOH 60 755 60 HOH HOH A . U 10 HOH 61 756 61 HOH HOH A . U 10 HOH 62 757 62 HOH HOH A . U 10 HOH 63 758 63 HOH HOH A . U 10 HOH 64 759 64 HOH HOH A . U 10 HOH 65 760 65 HOH HOH A . U 10 HOH 66 761 66 HOH HOH A . U 10 HOH 67 762 67 HOH HOH A . U 10 HOH 68 763 68 HOH HOH A . U 10 HOH 69 764 69 HOH HOH A . U 10 HOH 70 765 70 HOH HOH A . U 10 HOH 71 766 71 HOH HOH A . U 10 HOH 72 767 72 HOH HOH A . U 10 HOH 73 768 73 HOH HOH A . U 10 HOH 74 769 74 HOH HOH A . U 10 HOH 75 770 75 HOH HOH A . U 10 HOH 76 771 76 HOH HOH A . U 10 HOH 77 772 77 HOH HOH A . U 10 HOH 78 773 78 HOH HOH A . U 10 HOH 79 774 79 HOH HOH A . U 10 HOH 80 775 80 HOH HOH A . U 10 HOH 81 776 81 HOH HOH A . U 10 HOH 82 777 82 HOH HOH A . U 10 HOH 83 778 83 HOH HOH A . U 10 HOH 84 779 84 HOH HOH A . U 10 HOH 85 780 85 HOH HOH A . U 10 HOH 86 781 86 HOH HOH A . U 10 HOH 87 782 87 HOH HOH A . U 10 HOH 88 783 88 HOH HOH A . U 10 HOH 89 784 89 HOH HOH A . U 10 HOH 90 785 90 HOH HOH A . U 10 HOH 91 786 91 HOH HOH A . U 10 HOH 92 787 92 HOH HOH A . U 10 HOH 93 788 93 HOH HOH A . U 10 HOH 94 789 94 HOH HOH A . U 10 HOH 95 790 95 HOH HOH A . U 10 HOH 96 791 96 HOH HOH A . U 10 HOH 97 792 97 HOH HOH A . U 10 HOH 98 793 98 HOH HOH A . U 10 HOH 99 794 99 HOH HOH A . U 10 HOH 100 795 100 HOH HOH A . U 10 HOH 101 796 101 HOH HOH A . U 10 HOH 102 797 102 HOH HOH A . U 10 HOH 103 798 103 HOH HOH A . U 10 HOH 104 799 104 HOH HOH A . U 10 HOH 105 800 105 HOH HOH A . U 10 HOH 106 801 106 HOH HOH A . U 10 HOH 107 802 107 HOH HOH A . U 10 HOH 108 803 108 HOH HOH A . U 10 HOH 109 804 109 HOH HOH A . U 10 HOH 110 805 110 HOH HOH A . U 10 HOH 111 806 111 HOH HOH A . U 10 HOH 112 807 112 HOH HOH A . U 10 HOH 113 808 113 HOH HOH A . U 10 HOH 114 809 114 HOH HOH A . U 10 HOH 115 810 115 HOH HOH A . U 10 HOH 116 811 116 HOH HOH A . U 10 HOH 117 812 117 HOH HOH A . U 10 HOH 118 813 118 HOH HOH A . U 10 HOH 119 814 119 HOH HOH A . U 10 HOH 120 815 120 HOH HOH A . U 10 HOH 121 816 121 HOH HOH A . U 10 HOH 122 817 122 HOH HOH A . U 10 HOH 123 818 123 HOH HOH A . U 10 HOH 124 819 124 HOH HOH A . U 10 HOH 125 820 125 HOH HOH A . U 10 HOH 126 821 126 HOH HOH A . U 10 HOH 127 822 127 HOH HOH A . U 10 HOH 128 823 128 HOH HOH A . U 10 HOH 129 824 129 HOH HOH A . U 10 HOH 130 825 130 HOH HOH A . U 10 HOH 131 826 131 HOH HOH A . U 10 HOH 132 827 132 HOH HOH A . U 10 HOH 133 828 133 HOH HOH A . U 10 HOH 134 829 134 HOH HOH A . U 10 HOH 135 830 135 HOH HOH A . U 10 HOH 136 831 136 HOH HOH A . U 10 HOH 137 832 137 HOH HOH A . U 10 HOH 138 833 138 HOH HOH A . U 10 HOH 139 834 139 HOH HOH A . U 10 HOH 140 835 140 HOH HOH A . U 10 HOH 141 836 141 HOH HOH A . U 10 HOH 142 837 142 HOH HOH A . U 10 HOH 143 838 143 HOH HOH A . U 10 HOH 144 839 144 HOH HOH A . U 10 HOH 145 840 145 HOH HOH A . U 10 HOH 146 841 146 HOH HOH A . U 10 HOH 147 842 147 HOH HOH A . U 10 HOH 148 843 148 HOH HOH A . U 10 HOH 149 844 149 HOH HOH A . U 10 HOH 150 845 150 HOH HOH A . U 10 HOH 151 846 151 HOH HOH A . U 10 HOH 152 847 152 HOH HOH A . U 10 HOH 153 848 153 HOH HOH A . U 10 HOH 154 849 154 HOH HOH A . U 10 HOH 155 850 155 HOH HOH A . U 10 HOH 156 851 156 HOH HOH A . U 10 HOH 157 852 157 HOH HOH A . U 10 HOH 158 853 158 HOH HOH A . U 10 HOH 159 854 159 HOH HOH A . U 10 HOH 160 855 160 HOH HOH A . U 10 HOH 161 856 161 HOH HOH A . U 10 HOH 162 857 162 HOH HOH A . U 10 HOH 163 858 163 HOH HOH A . U 10 HOH 164 859 164 HOH HOH A . U 10 HOH 165 860 165 HOH HOH A . U 10 HOH 166 861 166 HOH HOH A . U 10 HOH 167 862 167 HOH HOH A . U 10 HOH 168 863 168 HOH HOH A . U 10 HOH 169 864 169 HOH HOH A . U 10 HOH 170 865 170 HOH HOH A . U 10 HOH 171 866 171 HOH HOH A . U 10 HOH 172 867 172 HOH HOH A . U 10 HOH 173 868 173 HOH HOH A . U 10 HOH 174 869 174 HOH HOH A . U 10 HOH 175 870 175 HOH HOH A . U 10 HOH 176 871 176 HOH HOH A . U 10 HOH 177 872 177 HOH HOH A . U 10 HOH 178 873 178 HOH HOH A . U 10 HOH 179 874 179 HOH HOH A . U 10 HOH 180 875 180 HOH HOH A . U 10 HOH 181 876 181 HOH HOH A . U 10 HOH 182 877 182 HOH HOH A . U 10 HOH 183 878 183 HOH HOH A . U 10 HOH 184 879 184 HOH HOH A . U 10 HOH 185 880 185 HOH HOH A . U 10 HOH 186 881 186 HOH HOH A . U 10 HOH 187 882 187 HOH HOH A . U 10 HOH 188 883 188 HOH HOH A . U 10 HOH 189 884 189 HOH HOH A . U 10 HOH 190 885 190 HOH HOH A . U 10 HOH 191 886 191 HOH HOH A . U 10 HOH 192 887 192 HOH HOH A . U 10 HOH 193 888 193 HOH HOH A . U 10 HOH 194 889 194 HOH HOH A . U 10 HOH 195 890 195 HOH HOH A . U 10 HOH 196 891 196 HOH HOH A . U 10 HOH 197 892 197 HOH HOH A . U 10 HOH 198 893 198 HOH HOH A . U 10 HOH 199 894 199 HOH HOH A . U 10 HOH 200 895 200 HOH HOH A . U 10 HOH 201 896 201 HOH HOH A . U 10 HOH 202 897 202 HOH HOH A . U 10 HOH 203 898 203 HOH HOH A . U 10 HOH 204 899 204 HOH HOH A . U 10 HOH 205 900 205 HOH HOH A . U 10 HOH 206 901 206 HOH HOH A . U 10 HOH 207 902 207 HOH HOH A . U 10 HOH 208 903 208 HOH HOH A . U 10 HOH 209 904 209 HOH HOH A . U 10 HOH 210 905 210 HOH HOH A . U 10 HOH 211 906 211 HOH HOH A . U 10 HOH 212 907 212 HOH HOH A . U 10 HOH 213 908 213 HOH HOH A . U 10 HOH 214 909 214 HOH HOH A . U 10 HOH 215 910 215 HOH HOH A . U 10 HOH 216 911 216 HOH HOH A . U 10 HOH 217 912 217 HOH HOH A . U 10 HOH 218 913 218 HOH HOH A . U 10 HOH 219 914 219 HOH HOH A . U 10 HOH 220 915 220 HOH HOH A . U 10 HOH 221 916 221 HOH HOH A . U 10 HOH 222 917 222 HOH HOH A . U 10 HOH 223 918 223 HOH HOH A . U 10 HOH 224 919 224 HOH HOH A . U 10 HOH 225 920 225 HOH HOH A . U 10 HOH 226 921 226 HOH HOH A . U 10 HOH 227 922 227 HOH HOH A . U 10 HOH 228 923 228 HOH HOH A . U 10 HOH 229 924 229 HOH HOH A . U 10 HOH 230 925 230 HOH HOH A . U 10 HOH 231 926 231 HOH HOH A . U 10 HOH 232 927 232 HOH HOH A . U 10 HOH 233 928 233 HOH HOH A . U 10 HOH 234 929 234 HOH HOH A . U 10 HOH 235 930 235 HOH HOH A . U 10 HOH 236 931 236 HOH HOH A . U 10 HOH 237 932 237 HOH HOH A . U 10 HOH 238 933 238 HOH HOH A . U 10 HOH 239 934 239 HOH HOH A . U 10 HOH 240 935 240 HOH HOH A . U 10 HOH 241 936 241 HOH HOH A . U 10 HOH 242 937 242 HOH HOH A . U 10 HOH 243 938 243 HOH HOH A . U 10 HOH 244 939 244 HOH HOH A . U 10 HOH 245 940 245 HOH HOH A . U 10 HOH 246 941 246 HOH HOH A . U 10 HOH 247 942 247 HOH HOH A . U 10 HOH 248 943 248 HOH HOH A . U 10 HOH 249 944 249 HOH HOH A . U 10 HOH 250 945 250 HOH HOH A . U 10 HOH 251 946 251 HOH HOH A . U 10 HOH 252 947 252 HOH HOH A . U 10 HOH 253 948 253 HOH HOH A . U 10 HOH 254 949 254 HOH HOH A . U 10 HOH 255 950 255 HOH HOH A . U 10 HOH 256 951 256 HOH HOH A . U 10 HOH 257 952 257 HOH HOH A . U 10 HOH 258 953 258 HOH HOH A . U 10 HOH 259 954 259 HOH HOH A . U 10 HOH 260 955 260 HOH HOH A . U 10 HOH 261 956 261 HOH HOH A . U 10 HOH 262 957 262 HOH HOH A . U 10 HOH 263 958 263 HOH HOH A . U 10 HOH 264 959 264 HOH HOH A . U 10 HOH 265 960 265 HOH HOH A . U 10 HOH 266 961 266 HOH HOH A . U 10 HOH 267 962 267 HOH HOH A . U 10 HOH 268 963 268 HOH HOH A . U 10 HOH 269 964 269 HOH HOH A . U 10 HOH 270 965 270 HOH HOH A . U 10 HOH 271 966 271 HOH HOH A . U 10 HOH 272 967 272 HOH HOH A . U 10 HOH 273 968 273 HOH HOH A . U 10 HOH 274 969 274 HOH HOH A . U 10 HOH 275 970 275 HOH HOH A . U 10 HOH 276 971 276 HOH HOH A . U 10 HOH 277 972 277 HOH HOH A . U 10 HOH 278 973 278 HOH HOH A . U 10 HOH 279 974 279 HOH HOH A . U 10 HOH 280 975 280 HOH HOH A . U 10 HOH 281 976 281 HOH HOH A . # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 A ASN 27 A ASN 368 ? ASN 'GLYCOSYLATION SITE' 2 A ASN 135 A ASN 476 ? ASN 'GLYCOSYLATION SITE' 3 A ASN 204 A ASN 545 ? ASN 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_defined_assembly _pdbx_struct_assembly.method_details ? _pdbx_struct_assembly.oligomeric_details monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_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 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? R FE . ? A FE 694 ? 1_555 OH ? A TYR 92 ? A TYR 433 ? 1_555 89.0 ? 2 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? R FE . ? A FE 694 ? 1_555 OH ? A TYR 185 ? A TYR 526 ? 1_555 173.7 ? 3 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? R FE . ? A FE 694 ? 1_555 OH ? A TYR 185 ? A TYR 526 ? 1_555 95.4 ? 4 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? R FE . ? A FE 694 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 89.9 ? 5 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? R FE . ? A FE 694 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 93.9 ? 6 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? R FE . ? A FE 694 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 85.3 ? 7 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? R FE . ? A FE 694 ? 1_555 O1 ? S CO3 . ? A CO3 695 ? 1_555 89.3 ? 8 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? R FE . ? A FE 694 ? 1_555 O1 ? S CO3 . ? A CO3 695 ? 1_555 157.0 ? 9 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? R FE . ? A FE 694 ? 1_555 O1 ? S CO3 . ? A CO3 695 ? 1_555 88.5 ? 10 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 FE ? R FE . ? A FE 694 ? 1_555 O1 ? S CO3 . ? A CO3 695 ? 1_555 109.1 ? 11 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? R FE . ? A FE 694 ? 1_555 O2 ? S CO3 . ? A CO3 695 ? 1_555 88.9 ? 12 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? R FE . ? A FE 694 ? 1_555 O2 ? S CO3 . ? A CO3 695 ? 1_555 92.5 ? 13 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? R FE . ? A FE 694 ? 1_555 O2 ? S CO3 . ? A CO3 695 ? 1_555 95.4 ? 14 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 FE ? R FE . ? A FE 694 ? 1_555 O2 ? S CO3 . ? A CO3 695 ? 1_555 173.5 ? 15 O1 ? S CO3 . ? A CO3 695 ? 1_555 FE ? R FE . ? A FE 694 ? 1_555 O2 ? S CO3 . ? A CO3 695 ? 1_555 64.5 ? 16 NE2 ? A HIS 247 ? A HIS 588 ? 1_555 ZN ? Q ZN . ? A ZN 303 ? 1_555 O ? U HOH . ? A HOH 862 ? 1_555 90.1 ? 17 NE2 ? A HIS 247 ? A HIS 588 ? 1_555 ZN ? Q ZN . ? A ZN 303 ? 1_555 O ? U HOH . ? A HOH 896 ? 1_555 97.0 ? 18 O ? U HOH . ? A HOH 862 ? 1_555 ZN ? Q ZN . ? A ZN 303 ? 1_555 O ? U HOH . ? A HOH 896 ? 1_555 66.9 ? 19 NE2 ? A HIS 247 ? A HIS 588 ? 1_555 ZN ? Q ZN . ? A ZN 303 ? 1_555 O ? U HOH . ? A HOH 897 ? 1_555 122.7 ? 20 O ? U HOH . ? A HOH 862 ? 1_555 ZN ? Q ZN . ? A ZN 303 ? 1_555 O ? U HOH . ? A HOH 897 ? 1_555 129.7 ? 21 O ? U HOH . ? A HOH 896 ? 1_555 ZN ? Q ZN . ? A ZN 303 ? 1_555 O ? U HOH . ? A HOH 897 ? 1_555 71.8 ? 22 OE1 ? A GLU 318 ? A GLU 659 ? 1_555 ZN ? P ZN . ? A ZN 302 ? 1_555 OE2 ? A GLU 318 ? A GLU 659 ? 1_555 59.7 ? 23 OE1 ? A GLU 318 ? A GLU 659 ? 1_555 ZN ? P ZN . ? A ZN 302 ? 1_555 O ? U HOH . ? A HOH 885 ? 1_555 95.7 ? 24 OE2 ? A GLU 318 ? A GLU 659 ? 1_555 ZN ? P ZN . ? A ZN 302 ? 1_555 O ? U HOH . ? A HOH 885 ? 1_555 91.3 ? # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2005-09-20 2 'Structure model' 1 1 2007-10-16 3 'Structure model' 1 2 2011-07-13 4 'Structure model' 1 3 2018-07-25 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Version format compliance' 2 3 'Structure model' 'Non-polymer description' 3 3 'Structure model' 'Version format compliance' 4 4 'Structure model' Advisory 5 4 'Structure model' 'Data collection' 6 4 'Structure model' 'Database references' 7 4 'Structure model' 'Structure summary' # loop_ _pdbx_audit_revision_category.ordinal _pdbx_audit_revision_category.revision_ordinal _pdbx_audit_revision_category.data_content_type _pdbx_audit_revision_category.category 1 4 'Structure model' pdbx_entry_details 2 4 'Structure model' pdbx_unobs_or_zero_occ_atoms 3 4 'Structure model' struct_ref_seq_dif # loop_ _pdbx_audit_revision_item.ordinal _pdbx_audit_revision_item.revision_ordinal _pdbx_audit_revision_item.data_content_type _pdbx_audit_revision_item.item 1 4 'Structure model' '_pdbx_unobs_or_zero_occ_atoms.label_asym_id' 2 4 'Structure model' '_struct_ref_seq_dif.details' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal REFMAC refinement 5.0 ? 1 DENZO 'data reduction' . ? 2 SCALEPACK 'data scaling' . ? 3 AMoRE phasing . ? 4 # _pdbx_entry_details.compound_details ? _pdbx_entry_details.entry_id 2ALU _pdbx_entry_details.nonpolymer_details ? _pdbx_entry_details.sequence_details ;There are conflicts between seqres(LYS A 565, GLU A 608) and sequence database P24627 (ASN, LYS). The authors believe that the SEQRES is correct. The conflicts are the true identity of these residues and are natural mutants. ; _pdbx_entry_details.source_details ? # loop_ _pdbx_validate_rmsd_angle.id _pdbx_validate_rmsd_angle.PDB_model_num _pdbx_validate_rmsd_angle.auth_atom_id_1 _pdbx_validate_rmsd_angle.auth_asym_id_1 _pdbx_validate_rmsd_angle.auth_comp_id_1 _pdbx_validate_rmsd_angle.auth_seq_id_1 _pdbx_validate_rmsd_angle.PDB_ins_code_1 _pdbx_validate_rmsd_angle.label_alt_id_1 _pdbx_validate_rmsd_angle.auth_atom_id_2 _pdbx_validate_rmsd_angle.auth_asym_id_2 _pdbx_validate_rmsd_angle.auth_comp_id_2 _pdbx_validate_rmsd_angle.auth_seq_id_2 _pdbx_validate_rmsd_angle.PDB_ins_code_2 _pdbx_validate_rmsd_angle.label_alt_id_2 _pdbx_validate_rmsd_angle.auth_atom_id_3 _pdbx_validate_rmsd_angle.auth_asym_id_3 _pdbx_validate_rmsd_angle.auth_comp_id_3 _pdbx_validate_rmsd_angle.auth_seq_id_3 _pdbx_validate_rmsd_angle.PDB_ins_code_3 _pdbx_validate_rmsd_angle.label_alt_id_3 _pdbx_validate_rmsd_angle.angle_value _pdbx_validate_rmsd_angle.angle_target_value _pdbx_validate_rmsd_angle.angle_deviation _pdbx_validate_rmsd_angle.angle_standard_deviation _pdbx_validate_rmsd_angle.linker_flag 1 1 CB A ASP 378 ? ? CG A ASP 378 ? ? OD2 A ASP 378 ? ? 124.63 118.30 6.33 0.90 N 2 1 CB A ASP 513 ? ? CG A ASP 513 ? ? OD2 A ASP 513 ? ? 123.91 118.30 5.61 0.90 N 3 1 CA A CYS 532 ? ? CB A CYS 532 ? ? SG A CYS 532 ? ? 120.89 114.20 6.69 1.10 N 4 1 CB A ASP 575 ? ? CG A ASP 575 ? ? OD2 A ASP 575 ? ? 124.29 118.30 5.99 0.90 N # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 ALA A 460 ? ? 177.52 153.38 2 1 ASP A 462 ? ? 76.92 -0.82 3 1 THR A 464 ? ? -61.35 -70.56 4 1 TRP A 467 ? ? -138.71 -61.54 5 1 ALA A 482 ? ? -85.78 49.55 6 1 VAL A 543 ? ? -133.62 -148.36 7 1 THR A 557 ? ? 60.92 -20.40 8 1 CYS A 587 ? ? -144.56 58.25 9 1 ALA A 590 ? ? 178.85 174.06 10 1 CYS A 625 ? ? -64.61 -72.62 11 1 SER A 634 ? ? -167.53 45.72 12 1 LEU A 640 ? ? 76.89 -46.56 13 1 ARG A 654 ? ? 27.71 68.84 14 1 GLU A 682 ? ? 87.47 46.25 15 1 ALA A 683 ? ? 156.46 22.54 16 1 CYS A 684 ? ? -28.85 -28.98 # _pdbx_unobs_or_zero_occ_atoms.id 1 _pdbx_unobs_or_zero_occ_atoms.PDB_model_num 1 _pdbx_unobs_or_zero_occ_atoms.polymer_flag N _pdbx_unobs_or_zero_occ_atoms.occupancy_flag 1 _pdbx_unobs_or_zero_occ_atoms.auth_asym_id A _pdbx_unobs_or_zero_occ_atoms.auth_comp_id NAG _pdbx_unobs_or_zero_occ_atoms.auth_seq_id 690 _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code ? _pdbx_unobs_or_zero_occ_atoms.auth_atom_id O1 _pdbx_unobs_or_zero_occ_atoms.label_alt_id ? _pdbx_unobs_or_zero_occ_atoms.label_asym_id L _pdbx_unobs_or_zero_occ_atoms.label_comp_id NAG _pdbx_unobs_or_zero_occ_atoms.label_seq_id 1 _pdbx_unobs_or_zero_occ_atoms.label_atom_id O1 # 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 THR 677 ? A THR 336 2 1 Y 1 A SER 678 ? A SER 337 3 1 Y 1 A PRO 679 ? A PRO 338 4 1 Y 1 A LEU 680 ? A LEU 339 5 1 Y 1 A PHE 686 ? A PHE 345 6 1 Y 1 A LEU 687 ? A LEU 346 7 1 Y 1 A THR 688 ? A THR 347 8 1 Y 1 A ARG 689 ? A ARG 348 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 BETA-D-MANNOSE BMA 4 ALPHA-D-MANNOSE MAN 5 '2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE' NDG 6 'ZINC ION' ZN 7 'FE (III) ION' FE 8 'CARBONATE ION' CO3 9 'SULFATE ION' SO4 10 water HOH #