data_2O1L # _entry.id 2O1L # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.286 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 2O1L RCSB RCSB040571 WWPDB D_1000040571 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 2G93 ;Ligand recognition site in C-lobe of lactoferrin: Crystal structure of the complex of C-lobe of bovine lactoferrin with methyl alpha-D-mannopyranoside at 1.9 A resolution ; unspecified PDB 2HCA 'Crystal structure of bovine lactoferrin C-lobe liganded with Glucose at 2.8 A resolution' unspecified PDB 2DWJ 'Structure of the complex of C-terminal lobe of bovine lactoferrin with raffinose at 2.3 A resolution' unspecified PDB 2DXY 'Structure of the complex of C-terminal lobe of bovine lactoferrin with trehalose at 2.0 A resolution' unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 2O1L _pdbx_database_status.recvd_initial_deposition_date 2006-11-29 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _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 'Sharma, S.' 2 'Perbandt, M.' 3 'Kaur, P.' 4 'Betzel, C.' 5 'Singh, T.P.' 6 # _citation.id primary _citation.title 'Structure of a complex of C-terminal lobe of bovine lactoferrin with disaccharide at 1.97 A 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 'Sharma, S.' 2 primary 'Perbandt, M.' 3 primary 'Kaur, P.' 4 primary 'Betzel, C.' 5 primary 'Singh, T.P.' 6 # _cell.entry_id 2O1L _cell.length_a 61.609 _cell.length_b 50.017 _cell.length_c 65.395 _cell.angle_alpha 90.00 _cell.angle_beta 107.11 _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 2O1L _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 37655.504 1 3.4.21.- ? 'C-terminal lobe (residues 361-705)' ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 8 ? ? ? ? 3 non-polymer man ALPHA-D-MANNOSE 180.156 3 ? ? ? ? 4 non-polymer syn 'ZINC ION' 65.409 2 ? ? ? ? 5 non-polymer syn 'FE (III) ION' 55.845 1 ? ? ? ? 6 non-polymer syn 'CARBONATE ION' 60.009 1 ? ? ? ? 7 non-polymer syn 'SULFATE ION' 96.063 2 ? ? ? ? 8 water nat water 18.015 318 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name Lactoferrin # _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 GTEYVTAIANLKKCSTSPLLEACAF ; _entity_poly.pdbx_seq_one_letter_code_can ;YTRVVWCAVGPEEQKKCQQWSQQSGQNVTCATASTTDDCIVLVLKGEADALNLDGGYIYTAGKCGLVPVLAENRKSSKHS SLDCVLRPTEGYLAVAVVKKANEGLTWNSLKDKKSCHTAVDRTAGWNIPMGLIVNQTGSCAFDEFFSQSCAPGADPKSRL CALCAGDDQGLDKCVPNSKEKYYGYTGAFRCLAEDVGDVAFVKNDTVWENTNGESTADWAKNLKREDFRLLCLDGTRKPV TEAQSCHLAVAPNHAVVSRSDRAAHVEQVLLHQQALFGKNGKNCPDKFCLFKSETKNLLFNDNTECLAKLGGRPTYEEYL GTEYVTAIANLKKCSTSPLLEACAF ; _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 # _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 GTEYVTAIANLKKCSTSPLLEACAF ; _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 2O1L _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 345 _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 705 _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 686 # 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 2O1L LYS A 224 ? UNP P24627 ASN 584 'SEE REMARK 999' 565 1 1 2O1L GLU A 267 ? UNP P24627 LYS 627 'SEE REMARK 999' 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 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 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 2O1L _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.56 _exptl_crystal.density_percent_sol 51.89 _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 6.8 _exptl_crystal_grow.pdbx_details 'HEPES, PEG 550 monomethyl ether, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K' _exptl_crystal_grow.pdbx_pH_range . # _diffrn.id 1 _diffrn.ambient_temp 200 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector 'IMAGE PLATE' _diffrn_detector.type 'MAR scanner 345 mm plate' _diffrn_detector.pdbx_collection_date 2006-10-22 _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator graphite _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.81 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'EMBL/DESY, HAMBURG BEAMLINE X13' _diffrn_source.pdbx_synchrotron_site 'EMBL/DESY, Hamburg' _diffrn_source.pdbx_synchrotron_beamline X13 _diffrn_source.pdbx_wavelength 0.81 _diffrn_source.pdbx_wavelength_list ? # _reflns.entry_id 2O1L _reflns.observed_criterion_sigma_F 0 _reflns.observed_criterion_sigma_I 0 _reflns.d_resolution_high 1.97 _reflns.d_resolution_low 25 _reflns.number_all 24680 _reflns.number_obs 22864 _reflns.percent_possible_obs 90.9 _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 1.97 _reflns_shell.d_res_low 2.00 _reflns_shell.percent_possible_all 99.2 _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 2O1L _refine.ls_number_reflns_obs 22864 _refine.ls_number_reflns_all 24680 _refine.pdbx_ls_sigma_I 0 _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 62.02 _refine.ls_d_res_high 1.97 _refine.ls_percent_reflns_obs 88.81 _refine.ls_R_factor_obs 0.21501 _refine.ls_R_factor_all 0.2217 _refine.ls_R_factor_R_work 0.21409 _refine.ls_R_factor_R_free 0.23054 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.1 _refine.ls_number_reflns_R_free 1229 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.951 _refine.correlation_coeff_Fo_to_Fc_free 0.942 _refine.B_iso_mean 44.865 _refine.aniso_B[1][1] 2.91 _refine.aniso_B[2][2] -2.72 _refine.aniso_B[3][3] -1.47 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] -2.18 _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 'PDB ENTRY 2B6D' _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 0.242 _refine.pdbx_overall_ESU_R_Free 0.177 _refine.overall_SU_ML 0.137 _refine.overall_SU_B 4.793 _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 2605 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 163 _refine_hist.number_atoms_solvent 318 _refine_hist.number_atoms_total 3086 _refine_hist.d_res_high 1.97 _refine_hist.d_res_low 62.02 # 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 0.010 0.021 ? 2828 'X-RAY DIFFRACTION' ? r_bond_other_d ? ? ? ? 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.700 2.017 ? 3849 'X-RAY DIFFRACTION' ? r_angle_other_deg ? ? ? ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 4.095 3.000 ? 339 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg ? ? ? ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 18.106 15.000 ? 466 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg ? ? ? ? 'X-RAY DIFFRACTION' ? r_chiral_restr 0.100 0.200 ? 452 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.005 0.020 ? 2045 'X-RAY DIFFRACTION' ? r_gen_planes_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbd_refined 0.230 0.300 ? 1500 'X-RAY DIFFRACTION' ? r_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_refined 0.181 0.500 ? 387 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_refined 0.258 0.500 ? 2 'X-RAY DIFFRACTION' ? r_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined 0.245 0.300 ? 36 'X-RAY DIFFRACTION' ? r_symmetry_vdw_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined 0.579 0.500 ? 16 'X-RAY DIFFRACTION' ? r_symmetry_hbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcbond_it 0.871 1.500 ? 1693 'X-RAY DIFFRACTION' ? r_mcbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcangle_it 1.630 2.000 ? 2700 'X-RAY DIFFRACTION' ? r_scbond_it 2.120 3.000 ? 1135 'X-RAY DIFFRACTION' ? r_scangle_it 3.543 4.500 ? 1149 'X-RAY DIFFRACTION' ? r_rigid_bond_restr ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_free ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_bonded ? ? ? ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 1.971 _refine_ls_shell.d_res_low 2.022 _refine_ls_shell.number_reflns_R_work 1672 _refine_ls_shell.R_factor_R_work 0.267 _refine_ls_shell.percent_reflns_obs ? _refine_ls_shell.R_factor_R_free 0.329 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 77 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' # _struct.entry_id 2O1L _struct.title 'Structure of a complex of C-terminal lobe of bovine lactoferrin with disaccharide at 1.97 A resolution' _struct.pdbx_descriptor 'Lactotransferrin (E.C.3.4.21.-)' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 2O1L _struct_keywords.pdbx_keywords HYDROLASE _struct_keywords.text 'Sugar, Complex, HYDROLASE' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 2 ? D N N 2 ? E N N 2 ? F N N 3 ? G N N 2 ? H N N 2 ? I N N 3 ? J N N 3 ? K N N 2 ? L N N 2 ? M N N 4 ? N N N 4 ? O N N 5 ? P N N 6 ? Q N N 7 ? R N N 7 ? S N N 8 ? # _struct_biol.id 1 # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 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 ALA A 141 ? PHE A 145 ? ALA A 482 PHE A 486 5 ? 5 HELX_P HELX_P8 8 SER A 158 ? ALA A 162 ? SER A 499 ALA A 503 5 ? 5 HELX_P HELX_P9 9 TYR A 183 ? GLU A 194 ? TYR A 524 GLU A 535 1 ? 12 HELX_P HELX_P10 10 ASN A 204 ? ASN A 210 ? ASN A 545 ASN A 551 1 ? 7 HELX_P HELX_P11 11 LYS A 224 ? GLU A 226 ? LYS A 565 GLU A 567 5 ? 3 HELX_P HELX_P12 12 PRO A 239 ? CYS A 246 ? PRO A 580 CYS A 587 5 ? 8 HELX_P HELX_P13 13 ARG A 262 ? GLY A 278 ? ARG A 603 GLY A 619 1 ? 17 HELX_P HELX_P14 14 THR A 315 ? GLY A 321 ? THR A 656 GLY A 662 1 ? 7 HELX_P HELX_P15 15 GLY A 321 ? LYS A 333 ? GLY A 662 LYS A 674 1 ? 13 # _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 ? ? ? ? ? ? ? 2.051 ? disulf2 disulf ? ? A CYS 17 SG ? ? ? 1_555 A CYS 30 SG ? ? A CYS 358 A CYS 371 1_555 ? ? ? ? ? ? ? 2.061 ? disulf3 disulf ? ? A CYS 64 SG ? ? ? 1_555 A CYS 343 SG ? ? A CYS 405 A CYS 684 1_555 ? ? ? ? ? ? ? 2.045 ? disulf4 disulf ? ? A CYS 84 SG ? ? ? 1_555 A CYS 306 SG ? ? A CYS 425 A CYS 647 1_555 ? ? ? ? ? ? ? 2.032 ? disulf5 disulf ? ? A CYS 116 SG ? ? ? 1_555 A CYS 191 SG ? ? A CYS 457 A CYS 532 1_555 ? ? ? ? ? ? ? 2.040 ? disulf6 disulf ? ? A CYS 140 SG ? ? ? 1_555 A CYS 334 SG ? ? A CYS 481 A CYS 675 1_555 ? ? ? ? ? ? ? 2.051 ? disulf7 disulf ? ? A CYS 150 SG ? ? ? 1_555 A CYS 164 SG ? ? A CYS 491 A CYS 505 1_555 ? ? ? ? ? ? ? 2.019 ? disulf8 disulf ? ? A CYS 161 SG ? ? ? 1_555 A CYS 174 SG ? ? A CYS 502 A CYS 515 1_555 ? ? ? ? ? ? ? 2.041 ? disulf9 disulf ? ? A CYS 232 SG ? ? ? 1_555 A CYS 246 SG ? ? A CYS 573 A CYS 587 1_555 ? ? ? ? ? ? ? 2.023 ? disulf10 disulf ? ? A CYS 284 SG ? ? ? 1_555 A CYS 289 SG ? ? A CYS 625 A CYS 630 1_555 ? ? ? ? ? ? ? 2.056 ? covale1 covale ? ? A ASN 27 ND2 ? ? ? 1_555 B NAG . C1 ? ? A ASN 368 A NAG 1 1_555 ? ? ? ? ? ? ? 1.445 ? covale2 covale ? ? A ASN 135 ND2 ? ? ? 1_555 D NAG . C1 ? ? A ASN 476 A NAG 2 1_555 ? ? ? ? ? ? ? 1.449 ? covale3 covale ? ? A ASN 204 ND2 ? ? ? 1_555 G NAG . C1 ? ? A ASN 545 A NAG 5 1_555 ? ? ? ? ? ? ? 1.454 ? covale4 covale ? ? B NAG . O4 ? ? ? 1_555 C NAG . C1 ? ? A NAG 1 A NAG 9 1_555 ? ? ? ? ? ? ? 1.445 ? covale5 covale ? ? D NAG . O4 ? ? ? 1_555 E NAG . C1 ? ? A NAG 2 A NAG 3 1_555 ? ? ? ? ? ? ? 1.447 ? covale6 covale ? ? E NAG . O4 ? ? ? 1_555 F MAN . C1 ? ? A NAG 3 A MAN 4 1_555 ? ? ? ? ? ? ? 1.433 ? covale7 covale ? ? G NAG . O4 ? ? ? 1_555 H NAG . C1 ? ? A NAG 5 A NAG 6 1_555 ? ? ? ? ? ? ? 1.464 ? covale8 covale ? ? H NAG . O4 ? ? ? 1_555 I MAN . C1 ? ? A NAG 6 A MAN 7 1_555 ? ? ? ? ? ? ? 1.457 ? covale9 covale ? ? I MAN . O4 ? ? ? 1_555 J MAN . C1 ? ? A MAN 7 A MAN 8 1_555 ? ? ? ? ? ? ? 1.428 ? covale10 covale ? ? K NAG . O4 ? ? ? 1_555 L NAG . C1 ? ? A NAG 687 A NAG 688 1_555 ? ? ? ? ? ? ? 1.444 ? metalc1 metalc ? ? A ASP 54 OD1 ? ? ? 1_555 O FE . FE ? ? A ASP 395 A FE 691 1_555 ? ? ? ? ? ? ? 2.132 ? metalc2 metalc ? ? A TYR 92 OH ? ? ? 1_555 O FE . FE ? ? A TYR 433 A FE 691 1_555 ? ? ? ? ? ? ? 1.988 ? metalc3 metalc ? ? A TYR 185 OH ? ? ? 1_555 O FE . FE ? ? A TYR 526 A FE 691 1_555 ? ? ? ? ? ? ? 2.014 ? metalc4 metalc ? ? A HIS 254 NE2 ? ? ? 1_555 O FE . FE ? ? A HIS 595 A FE 691 1_555 ? ? ? ? ? ? ? 2.222 ? metalc5 metalc ? ? A HIS 247 NE2 ? ? ? 1_555 N ZN . ZN ? ? A HIS 588 A ZN 690 1_555 ? ? ? ? ? ? ? 2.113 ? metalc6 metalc ? ? A GLU 318 OE1 ? ? ? 1_555 M ZN . ZN ? ? A GLU 659 A ZN 689 1_555 ? ? ? ? ? ? ? 2.263 ? metalc7 metalc ? ? A GLU 318 OE2 ? ? ? 1_555 M ZN . ZN ? ? A GLU 659 A ZN 689 1_555 ? ? ? ? ? ? ? 2.168 ? metalc8 metalc ? ? O FE . FE ? ? ? 1_555 P CO3 . O1 ? ? A FE 691 A CO3 1999 1_555 ? ? ? ? ? ? ? 2.188 ? metalc9 metalc ? ? O FE . FE ? ? ? 1_555 P CO3 . O2 ? ? A FE 691 A CO3 1999 1_555 ? ? ? ? ? ? ? 2.156 ? metalc10 metalc ? ? M ZN . ZN ? ? ? 1_555 S HOH . O ? ? A ZN 689 A HOH 2258 1_555 ? ? ? ? ? ? ? 1.961 ? metalc11 metalc ? ? N ZN . ZN ? ? ? 1_555 S HOH . O ? ? A ZN 690 A HOH 2210 1_555 ? ? ? ? ? ? ? 1.920 ? metalc12 metalc ? ? N ZN . ZN ? ? ? 1_555 S HOH . O ? ? A ZN 690 A HOH 2225 1_555 ? ? ? ? ? ? ? 2.033 ? # 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 ? ARG A 74 ? LEU A 407 ARG A 415 B 4 THR A 304 ? ALA A 308 ? THR A 645 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 ALA A 8 ? N ALA A 349 O ALA A 31 ? O ALA A 372 B 1 2 N LEU A 53 ? N LEU A 394 O ALA A 255 ? O ALA A 596 B 2 3 O VAL A 256 ? O VAL A 597 N LEU A 70 ? N LEU A 411 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 ALA A 200 ? O ALA A 541 N VAL A 97 ? N VAL A 438 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 ALA A 200 ? O ALA A 541 N VAL A 97 ? N VAL A 438 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 ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG A 1' AC2 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG A 9' AC3 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG A 2' AC4 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 3' AC5 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE MAN A 4' AC6 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE NAG A 5' AC7 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG A 6' AC8 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE MAN A 7' AC9 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE MAN A 8' BC1 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG A 687' BC2 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE NAG A 688' BC3 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE ZN A 689' BC4 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE ZN A 690' BC5 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE FE A 691' BC6 Software ? ? ? ? 10 'BINDING SITE FOR RESIDUE CO3 A 1999' BC7 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE SO4 A 2000' BC8 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE SO4 A 2001' # 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 5 NAG C . ? NAG A 9 . ? 1_555 ? 2 AC1 5 SER A 24 ? SER A 365 . ? 1_555 ? 3 AC1 5 ASN A 27 ? ASN A 368 . ? 1_555 ? 4 AC1 5 HOH S . ? HOH A 2075 . ? 1_555 ? 5 AC1 5 HOH S . ? HOH A 2102 . ? 1_555 ? 6 AC2 3 NAG B . ? NAG A 1 . ? 1_555 ? 7 AC2 3 HIS A 272 ? HIS A 613 . ? 1_555 ? 8 AC2 3 HOH S . ? HOH A 2166 . ? 1_555 ? 9 AC3 5 NAG E . ? NAG A 3 . ? 1_555 ? 10 AC3 5 GLY A 131 ? GLY A 472 . ? 1_555 ? 11 AC3 5 ASN A 135 ? ASN A 476 . ? 1_555 ? 12 AC3 5 ASN A 330 ? ASN A 671 . ? 1_555 ? 13 AC3 5 HOH S . ? HOH A 2280 . ? 1_555 ? 14 AC4 4 NAG D . ? NAG A 2 . ? 1_555 ? 15 AC4 4 MAN F . ? MAN A 4 . ? 1_555 ? 16 AC4 4 ASN A 330 ? ASN A 671 . ? 1_555 ? 17 AC4 4 HOH S . ? HOH A 2280 . ? 1_555 ? 18 AC5 2 NAG E . ? NAG A 3 . ? 1_555 ? 19 AC5 2 HOH S . ? HOH A 2112 . ? 1_555 ? 20 AC6 7 NAG H . ? NAG A 6 . ? 1_555 ? 21 AC6 7 LEU A 93 ? LEU A 434 . ? 1_555 ? 22 AC6 7 ASN A 204 ? ASN A 545 . ? 1_555 ? 23 AC6 7 ASP A 205 ? ASP A 546 . ? 1_555 ? 24 AC6 7 TRP A 208 ? TRP A 549 . ? 1_555 ? 25 AC6 7 GLU A 209 ? GLU A 550 . ? 1_555 ? 26 AC6 7 GLN A 244 ? GLN A 585 . ? 1_555 ? 27 AC7 6 NAG G . ? NAG A 5 . ? 1_555 ? 28 AC7 6 MAN I . ? MAN A 7 . ? 1_555 ? 29 AC7 6 MAN J . ? MAN A 8 . ? 1_555 ? 30 AC7 6 TRP A 208 ? TRP A 549 . ? 1_555 ? 31 AC7 6 GLU A 214 ? GLU A 555 . ? 1_555 ? 32 AC7 6 HOH S . ? HOH A 2125 . ? 1_555 ? 33 AC8 5 NAG H . ? NAG A 6 . ? 1_555 ? 34 AC8 5 MAN J . ? MAN A 8 . ? 1_555 ? 35 AC8 5 HOH S . ? HOH A 2142 . ? 1_555 ? 36 AC8 5 HOH S . ? HOH A 2171 . ? 1_555 ? 37 AC8 5 HOH S . ? HOH A 2285 . ? 1_555 ? 38 AC9 3 NAG H . ? NAG A 6 . ? 1_555 ? 39 AC9 3 MAN I . ? MAN A 7 . ? 1_555 ? 40 AC9 3 GLU A 214 ? GLU A 555 . ? 1_555 ? 41 BC1 6 GLU A 318 ? GLU A 659 . ? 1_555 ? 42 BC1 6 GLY A 321 ? GLY A 662 . ? 1_555 ? 43 BC1 6 NAG L . ? NAG A 688 . ? 1_555 ? 44 BC1 6 HOH S . ? HOH A 2133 . ? 1_555 ? 45 BC1 6 HOH S . ? HOH A 2167 . ? 1_555 ? 46 BC1 6 HOH S . ? HOH A 2190 . ? 1_555 ? 47 BC2 8 GLU A 90 ? GLU A 431 . ? 1_555 ? 48 BC2 8 VAL A 250 ? VAL A 591 . ? 1_555 ? 49 BC2 8 PRO A 252 ? PRO A 593 . ? 1_555 ? 50 BC2 8 TYR A 319 ? TYR A 660 . ? 1_555 ? 51 BC2 8 NAG K . ? NAG A 687 . ? 1_555 ? 52 BC2 8 HOH S . ? HOH A 2052 . ? 1_555 ? 53 BC2 8 HOH S . ? HOH A 2128 . ? 1_555 ? 54 BC2 8 HOH S . ? HOH A 2164 . ? 1_555 ? 55 BC3 2 GLU A 318 ? GLU A 659 . ? 1_555 ? 56 BC3 2 HOH S . ? HOH A 2258 . ? 1_555 ? 57 BC4 3 HIS A 247 ? HIS A 588 . ? 1_555 ? 58 BC4 3 HOH S . ? HOH A 2210 . ? 1_555 ? 59 BC4 3 HOH S . ? HOH A 2225 . ? 1_555 ? 60 BC5 5 ASP A 54 ? ASP A 395 . ? 1_555 ? 61 BC5 5 TYR A 92 ? TYR A 433 . ? 1_555 ? 62 BC5 5 TYR A 185 ? TYR A 526 . ? 1_555 ? 63 BC5 5 HIS A 254 ? HIS A 595 . ? 1_555 ? 64 BC5 5 CO3 P . ? CO3 A 1999 . ? 1_555 ? 65 BC6 10 ASP A 54 ? ASP A 395 . ? 1_555 ? 66 BC6 10 TYR A 92 ? TYR A 433 . ? 1_555 ? 67 BC6 10 THR A 118 ? THR A 459 . ? 1_555 ? 68 BC6 10 ARG A 122 ? ARG A 463 . ? 1_555 ? 69 BC6 10 THR A 123 ? THR A 464 . ? 1_555 ? 70 BC6 10 ALA A 124 ? ALA A 465 . ? 1_555 ? 71 BC6 10 GLY A 125 ? GLY A 466 . ? 1_555 ? 72 BC6 10 TYR A 185 ? TYR A 526 . ? 1_555 ? 73 BC6 10 HIS A 254 ? HIS A 595 . ? 1_555 ? 74 BC6 10 FE O . ? FE A 691 . ? 1_555 ? 75 BC7 2 ARG A 229 ? ARG A 570 . ? 1_555 ? 76 BC7 2 ARG A 237 ? ARG A 578 . ? 1_555 ? 77 BC8 3 GLN A 169 ? GLN A 510 . ? 1_565 ? 78 BC8 3 LYS A 309 ? LYS A 650 . ? 1_555 ? 79 BC8 3 ARG A 313 ? ARG A 654 . ? 1_555 ? # _database_PDB_matrix.entry_id 2O1L _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 2O1L _atom_sites.fract_transf_matrix[1][1] 0.016231 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.004997 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.019993 _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] 0.016000 _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 ? 43.203 9.445 29.237 1.00 63.37 ? 342 TYR A N 1 ATOM 2 C CA . TYR A 1 1 ? 42.007 9.571 30.121 1.00 63.33 ? 342 TYR A CA 1 ATOM 3 C C . TYR A 1 1 ? 40.794 10.143 29.392 1.00 62.30 ? 342 TYR A C 1 ATOM 4 O O . TYR A 1 1 ? 39.665 10.016 29.869 1.00 62.81 ? 342 TYR A O 1 ATOM 5 C CB . TYR A 1 1 ? 42.326 10.394 31.371 1.00 64.18 ? 342 TYR A CB 1 ATOM 6 C CG . TYR A 1 1 ? 43.388 11.457 31.181 1.00 66.43 ? 342 TYR A CG 1 ATOM 7 C CD1 . TYR A 1 1 ? 43.119 12.631 30.484 1.00 67.96 ? 342 TYR A CD1 1 ATOM 8 C CD2 . TYR A 1 1 ? 44.661 11.290 31.716 1.00 68.45 ? 342 TYR A CD2 1 ATOM 9 C CE1 . TYR A 1 1 ? 44.091 13.602 30.320 1.00 69.49 ? 342 TYR A CE1 1 ATOM 10 C CE2 . TYR A 1 1 ? 45.637 12.256 31.558 1.00 69.49 ? 342 TYR A CE2 1 ATOM 11 C CZ . TYR A 1 1 ? 45.347 13.411 30.858 1.00 70.27 ? 342 TYR A CZ 1 ATOM 12 O OH . TYR A 1 1 ? 46.307 14.392 30.692 1.00 71.78 ? 342 TYR A OH 1 ATOM 13 N N . THR A 1 2 ? 41.022 10.788 28.250 1.00 60.41 ? 343 THR A N 1 ATOM 14 C CA . THR A 1 2 ? 39.906 11.235 27.432 1.00 58.32 ? 343 THR A CA 1 ATOM 15 C C . THR A 1 2 ? 39.479 9.989 26.668 1.00 56.28 ? 343 THR A C 1 ATOM 16 O O . THR A 1 2 ? 39.850 9.782 25.502 1.00 56.78 ? 343 THR A O 1 ATOM 17 C CB . THR A 1 2 ? 40.313 12.372 26.484 1.00 58.69 ? 343 THR A CB 1 ATOM 18 O OG1 . THR A 1 2 ? 39.314 12.520 25.468 1.00 59.64 ? 343 THR A OG1 1 ATOM 19 C CG2 . THR A 1 2 ? 41.579 12.007 25.698 1.00 58.86 ? 343 THR A CG2 1 ATOM 20 N N . ARG A 1 3 ? 38.717 9.151 27.362 1.00 52.69 ? 344 ARG A N 1 ATOM 21 C CA . ARG A 1 3 ? 38.320 7.849 26.861 1.00 49.55 ? 344 ARG A CA 1 ATOM 22 C C . ARG A 1 3 ? 36.814 7.658 27.043 1.00 46.39 ? 344 ARG A C 1 ATOM 23 O O . ARG A 1 3 ? 36.279 7.944 28.115 1.00 45.97 ? 344 ARG A O 1 ATOM 24 C CB . ARG A 1 3 ? 39.051 6.784 27.671 1.00 49.96 ? 344 ARG A CB 1 ATOM 25 C CG . ARG A 1 3 ? 39.614 5.648 26.863 1.00 53.06 ? 344 ARG A CG 1 ATOM 26 C CD . ARG A 1 3 ? 40.512 4.725 27.669 1.00 56.91 ? 344 ARG A CD 1 ATOM 27 N NE . ARG A 1 3 ? 41.779 4.484 26.981 1.00 61.39 ? 344 ARG A NE 1 ATOM 28 C CZ . ARG A 1 3 ? 42.857 5.255 27.118 1.00 64.13 ? 344 ARG A CZ 1 ATOM 29 N NH1 . ARG A 1 3 ? 42.817 6.312 27.923 1.00 65.35 ? 344 ARG A NH1 1 ATOM 30 N NH2 . ARG A 1 3 ? 43.976 4.974 26.454 1.00 65.22 ? 344 ARG A NH2 1 ATOM 31 N N . VAL A 1 4 ? 36.145 7.174 25.999 1.00 42.47 ? 345 VAL A N 1 ATOM 32 C CA . VAL A 1 4 ? 34.704 6.920 26.052 1.00 38.93 ? 345 VAL A CA 1 ATOM 33 C C . VAL A 1 4 ? 34.438 5.413 26.062 1.00 36.74 ? 345 VAL A C 1 ATOM 34 O O . VAL A 1 4 ? 34.967 4.668 25.231 1.00 35.35 ? 345 VAL A O 1 ATOM 35 C CB . VAL A 1 4 ? 33.962 7.585 24.866 1.00 38.89 ? 345 VAL A CB 1 ATOM 36 C CG1 . VAL A 1 4 ? 32.529 7.045 24.705 1.00 37.93 ? 345 VAL A CG1 1 ATOM 37 C CG2 . VAL A 1 4 ? 33.941 9.096 25.033 1.00 39.39 ? 345 VAL A CG2 1 ATOM 38 N N . VAL A 1 5 ? 33.639 4.976 27.026 1.00 33.69 ? 346 VAL A N 1 ATOM 39 C CA . VAL A 1 5 ? 33.243 3.584 27.119 1.00 31.86 ? 346 VAL A CA 1 ATOM 40 C C . VAL A 1 5 ? 31.914 3.379 26.394 1.00 30.94 ? 346 VAL A C 1 ATOM 41 O O . VAL A 1 5 ? 30.865 3.869 26.838 1.00 29.74 ? 346 VAL A O 1 ATOM 42 C CB . VAL A 1 5 ? 33.067 3.143 28.581 1.00 32.42 ? 346 VAL A CB 1 ATOM 43 C CG1 . VAL A 1 5 ? 32.744 1.654 28.666 1.00 30.57 ? 346 VAL A CG1 1 ATOM 44 C CG2 . VAL A 1 5 ? 34.318 3.474 29.383 1.00 31.58 ? 346 VAL A CG2 1 ATOM 45 N N . TRP A 1 6 ? 31.976 2.686 25.269 1.00 29.71 ? 347 TRP A N 1 ATOM 46 C CA . TRP A 1 6 ? 30.798 2.367 24.470 1.00 29.05 ? 347 TRP A CA 1 ATOM 47 C C . TRP A 1 6 ? 30.143 1.115 25.007 1.00 28.61 ? 347 TRP A C 1 ATOM 48 O O . TRP A 1 6 ? 30.832 0.217 25.507 1.00 28.89 ? 347 TRP A O 1 ATOM 49 C CB . TRP A 1 6 ? 31.184 2.156 23.000 1.00 29.00 ? 347 TRP A CB 1 ATOM 50 C CG . TRP A 1 6 ? 30.037 2.421 22.113 1.00 29.02 ? 347 TRP A CG 1 ATOM 51 C CD1 . TRP A 1 6 ? 29.185 1.500 21.567 1.00 28.52 ? 347 TRP A CD1 1 ATOM 52 C CD2 . TRP A 1 6 ? 29.534 3.706 21.739 1.00 27.66 ? 347 TRP A CD2 1 ATOM 53 N NE1 . TRP A 1 6 ? 28.226 2.139 20.821 1.00 27.36 ? 347 TRP A NE1 1 ATOM 54 C CE2 . TRP A 1 6 ? 28.402 3.493 20.929 1.00 24.90 ? 347 TRP A CE2 1 ATOM 55 C CE3 . TRP A 1 6 ? 29.935 5.022 21.996 1.00 25.27 ? 347 TRP A CE3 1 ATOM 56 C CZ2 . TRP A 1 6 ? 27.696 4.526 20.357 1.00 24.07 ? 347 TRP A CZ2 1 ATOM 57 C CZ3 . TRP A 1 6 ? 29.220 6.060 21.430 1.00 26.46 ? 347 TRP A CZ3 1 ATOM 58 C CH2 . TRP A 1 6 ? 28.101 5.807 20.634 1.00 25.70 ? 347 TRP A CH2 1 ATOM 59 N N . CYS A 1 7 ? 28.816 1.039 24.948 1.00 27.50 ? 348 CYS A N 1 ATOM 60 C CA . CYS A 1 7 ? 28.173 -0.173 25.436 1.00 27.46 ? 348 CYS A CA 1 ATOM 61 C C . CYS A 1 7 ? 27.667 -0.974 24.256 1.00 27.19 ? 348 CYS A C 1 ATOM 62 O O . CYS A 1 7 ? 26.845 -0.506 23.488 1.00 27.80 ? 348 CYS A O 1 ATOM 63 C CB . CYS A 1 7 ? 27.032 0.104 26.446 1.00 27.14 ? 348 CYS A CB 1 ATOM 64 S SG . CYS A 1 7 ? 26.483 -1.418 27.293 1.00 29.21 ? 348 CYS A SG 1 ATOM 65 N N . ALA A 1 8 ? 28.160 -2.190 24.124 1.00 27.08 ? 349 ALA A N 1 ATOM 66 C CA . ALA A 1 8 ? 27.744 -3.097 23.068 1.00 27.61 ? 349 ALA A CA 1 ATOM 67 C C . ALA A 1 8 ? 26.677 -4.062 23.597 1.00 27.75 ? 349 ALA A C 1 ATOM 68 O O . ALA A 1 8 ? 26.772 -4.542 24.717 1.00 27.61 ? 349 ALA A O 1 ATOM 69 C CB . ALA A 1 8 ? 28.951 -3.902 22.556 1.00 28.25 ? 349 ALA A CB 1 ATOM 70 N N . VAL A 1 9 ? 25.680 -4.330 22.760 1.00 27.85 ? 350 VAL A N 1 ATOM 71 C CA . VAL A 1 9 ? 24.583 -5.229 23.085 1.00 27.38 ? 350 VAL A CA 1 ATOM 72 C C . VAL A 1 9 ? 24.742 -6.589 22.385 1.00 27.64 ? 350 VAL A C 1 ATOM 73 O O . VAL A 1 9 ? 24.554 -6.706 21.164 1.00 27.29 ? 350 VAL A O 1 ATOM 74 C CB . VAL A 1 9 ? 23.238 -4.583 22.670 1.00 27.74 ? 350 VAL A CB 1 ATOM 75 C CG1 . VAL A 1 9 ? 22.041 -5.503 23.024 1.00 26.67 ? 350 VAL A CG1 1 ATOM 76 C CG2 . VAL A 1 9 ? 23.095 -3.208 23.340 1.00 27.16 ? 350 VAL A CG2 1 ATOM 77 N N . GLY A 1 10 ? 25.086 -7.624 23.155 1.00 28.41 ? 351 GLY A N 1 ATOM 78 C CA . GLY A 1 10 ? 25.274 -8.946 22.585 1.00 29.27 ? 351 GLY A CA 1 ATOM 79 C C . GLY A 1 10 ? 26.708 -9.121 22.088 1.00 30.62 ? 351 GLY A C 1 ATOM 80 O O . GLY A 1 10 ? 27.416 -8.145 21.916 1.00 30.18 ? 351 GLY A O 1 ATOM 81 N N . PRO A 1 11 ? 27.102 -10.367 21.848 1.00 32.20 ? 352 PRO A N 1 ATOM 82 C CA . PRO A 1 11 ? 28.475 -10.735 21.458 1.00 33.16 ? 352 PRO A CA 1 ATOM 83 C C . PRO A 1 11 ? 28.945 -10.214 20.107 1.00 33.14 ? 352 PRO A C 1 ATOM 84 O O . PRO A 1 11 ? 30.154 -10.028 19.928 1.00 32.66 ? 352 PRO A O 1 ATOM 85 C CB . PRO A 1 11 ? 28.403 -12.263 21.392 1.00 33.62 ? 352 PRO A CB 1 ATOM 86 C CG . PRO A 1 11 ? 26.984 -12.507 21.061 1.00 34.71 ? 352 PRO A CG 1 ATOM 87 C CD . PRO A 1 11 ? 26.241 -11.553 21.977 1.00 32.46 ? 352 PRO A CD 1 ATOM 88 N N . GLU A 1 12 ? 28.026 -9.993 19.172 1.00 32.80 ? 353 GLU A N 1 ATOM 89 C CA . GLU A 1 12 ? 28.408 -9.545 17.850 1.00 32.55 ? 353 GLU A CA 1 ATOM 90 C C . GLU A 1 12 ? 28.756 -8.076 17.876 1.00 32.20 ? 353 GLU A C 1 ATOM 91 O O . GLU A 1 12 ? 29.754 -7.669 17.275 1.00 31.18 ? 353 GLU A O 1 ATOM 92 C CB . GLU A 1 12 ? 27.323 -9.821 16.805 1.00 33.18 ? 353 GLU A CB 1 ATOM 93 C CG . GLU A 1 12 ? 27.149 -11.287 16.449 1.00 36.99 ? 353 GLU A CG 1 ATOM 94 C CD . GLU A 1 12 ? 26.205 -11.467 15.273 1.00 42.59 ? 353 GLU A CD 1 ATOM 95 O OE1 . GLU A 1 12 ? 25.184 -10.738 15.209 1.00 42.39 ? 353 GLU A OE1 1 ATOM 96 O OE2 . GLU A 1 12 ? 26.499 -12.312 14.390 1.00 45.85 ? 353 GLU A OE2 1 ATOM 97 N N . GLU A 1 13 ? 27.952 -7.280 18.586 1.00 30.72 ? 354 GLU A N 1 ATOM 98 C CA . GLU A 1 13 ? 28.250 -5.857 18.728 1.00 30.27 ? 354 GLU A CA 1 ATOM 99 C C . GLU A 1 13 ? 29.558 -5.731 19.500 1.00 30.84 ? 354 GLU A C 1 ATOM 100 O O . GLU A 1 13 ? 30.343 -4.826 19.245 1.00 30.40 ? 354 GLU A O 1 ATOM 101 C CB . GLU A 1 13 ? 27.131 -5.098 19.486 1.00 29.98 ? 354 GLU A CB 1 ATOM 102 C CG . GLU A 1 13 ? 25.815 -4.944 18.723 1.00 30.75 ? 354 GLU A CG 1 ATOM 103 C CD . GLU A 1 13 ? 25.072 -3.631 19.021 1.00 29.28 ? 354 GLU A CD 1 ATOM 104 O OE1 . GLU A 1 13 ? 25.190 -3.085 20.140 1.00 32.09 ? 354 GLU A OE1 1 ATOM 105 O OE2 . GLU A 1 13 ? 24.371 -3.136 18.119 1.00 28.42 ? 354 GLU A OE2 1 ATOM 106 N N . GLN A 1 14 ? 29.770 -6.613 20.470 1.00 31.38 ? 355 GLN A N 1 ATOM 107 C CA . GLN A 1 14 ? 31.004 -6.581 21.260 1.00 32.71 ? 355 GLN A CA 1 ATOM 108 C C . GLN A 1 14 ? 32.239 -6.751 20.368 1.00 33.23 ? 355 GLN A C 1 ATOM 109 O O . GLN A 1 14 ? 33.220 -6.027 20.506 1.00 32.13 ? 355 GLN A O 1 ATOM 110 C CB . GLN A 1 14 ? 30.986 -7.655 22.345 1.00 32.82 ? 355 GLN A CB 1 ATOM 111 C CG . GLN A 1 14 ? 32.271 -7.735 23.197 1.00 37.41 ? 355 GLN A CG 1 ATOM 112 C CD . GLN A 1 14 ? 32.271 -8.926 24.143 1.00 42.93 ? 355 GLN A CD 1 ATOM 113 O OE1 . GLN A 1 14 ? 31.802 -10.013 23.787 1.00 46.18 ? 355 GLN A OE1 1 ATOM 114 N NE2 . GLN A 1 14 ? 32.804 -8.731 25.346 1.00 45.99 ? 355 GLN A NE2 1 ATOM 115 N N . LYS A 1 15 ? 32.177 -7.712 19.454 1.00 33.84 ? 356 LYS A N 1 ATOM 116 C CA . LYS A 1 15 ? 33.277 -7.953 18.531 1.00 34.82 ? 356 LYS A CA 1 ATOM 117 C C . LYS A 1 15 ? 33.618 -6.713 17.687 1.00 34.99 ? 356 LYS A C 1 ATOM 118 O O . LYS A 1 15 ? 34.792 -6.350 17.548 1.00 34.18 ? 356 LYS A O 1 ATOM 119 C CB . LYS A 1 15 ? 32.924 -9.139 17.654 1.00 35.63 ? 356 LYS A CB 1 ATOM 120 C CG . LYS A 1 15 ? 34.051 -9.747 16.876 1.00 38.31 ? 356 LYS A CG 1 ATOM 121 C CD . LYS A 1 15 ? 33.443 -10.681 15.819 1.00 42.34 ? 356 LYS A CD 1 ATOM 122 C CE . LYS A 1 15 ? 34.340 -11.872 15.526 1.00 46.02 ? 356 LYS A CE 1 ATOM 123 N NZ . LYS A 1 15 ? 33.829 -12.666 14.377 1.00 48.19 ? 356 LYS A NZ 1 ATOM 124 N N . LYS A 1 16 ? 32.591 -6.030 17.178 1.00 34.30 ? 357 LYS A N 1 ATOM 125 C CA . LYS A 1 16 ? 32.794 -4.828 16.368 1.00 34.32 ? 357 LYS A CA 1 ATOM 126 C C . LYS A 1 16 ? 33.325 -3.699 17.227 1.00 34.72 ? 357 LYS A C 1 ATOM 127 O O . LYS A 1 16 ? 34.195 -2.924 16.798 1.00 34.78 ? 357 LYS A O 1 ATOM 128 C CB . LYS A 1 16 ? 31.481 -4.390 15.694 1.00 33.58 ? 357 LYS A CB 1 ATOM 129 C CG . LYS A 1 16 ? 31.570 -3.073 14.961 1.00 32.92 ? 357 LYS A CG 1 ATOM 130 C CD . LYS A 1 16 ? 30.334 -2.818 14.072 1.00 32.01 ? 357 LYS A CD 1 ATOM 131 C CE . LYS A 1 16 ? 30.298 -1.373 13.545 1.00 30.72 ? 357 LYS A CE 1 ATOM 132 N NZ . LYS A 1 16 ? 29.212 -1.189 12.544 1.00 29.68 ? 357 LYS A NZ 1 ATOM 133 N N . CYS A 1 17 ? 32.796 -3.602 18.443 1.00 34.43 ? 358 CYS A N 1 ATOM 134 C CA . CYS A 1 17 ? 33.229 -2.577 19.362 1.00 35.47 ? 358 CYS A CA 1 ATOM 135 C C . CYS A 1 17 ? 34.720 -2.803 19.706 1.00 35.77 ? 358 CYS A C 1 ATOM 136 O O . CYS A 1 17 ? 35.483 -1.857 19.781 1.00 35.55 ? 358 CYS A O 1 ATOM 137 C CB . CYS A 1 17 ? 32.324 -2.567 20.619 1.00 35.80 ? 358 CYS A CB 1 ATOM 138 S SG . CYS A 1 17 ? 32.636 -1.189 21.740 1.00 37.99 ? 358 CYS A SG 1 ATOM 139 N N . GLN A 1 18 ? 35.139 -4.055 19.888 1.00 36.61 ? 359 GLN A N 1 ATOM 140 C CA . GLN A 1 18 ? 36.553 -4.348 20.193 1.00 38.20 ? 359 GLN A CA 1 ATOM 141 C C . GLN A 1 18 ? 37.488 -3.934 19.042 1.00 38.44 ? 359 GLN A C 1 ATOM 142 O O . GLN A 1 18 ? 38.597 -3.432 19.265 1.00 38.88 ? 359 GLN A O 1 ATOM 143 C CB . GLN A 1 18 ? 36.728 -5.835 20.516 1.00 38.76 ? 359 GLN A CB 1 ATOM 144 C CG . GLN A 1 18 ? 36.144 -6.249 21.861 1.00 42.25 ? 359 GLN A CG 1 ATOM 145 C CD . GLN A 1 18 ? 36.043 -7.756 22.045 1.00 46.53 ? 359 GLN A CD 1 ATOM 146 O OE1 . GLN A 1 18 ? 35.667 -8.233 23.123 1.00 51.05 ? 359 GLN A OE1 1 ATOM 147 N NE2 . GLN A 1 18 ? 36.354 -8.505 20.999 1.00 49.42 ? 359 GLN A NE2 1 ATOM 148 N N . GLN A 1 19 ? 37.016 -4.154 17.821 1.00 39.15 ? 360 GLN A N 1 ATOM 149 C CA . GLN A 1 19 ? 37.715 -3.792 16.602 1.00 39.95 ? 360 GLN A CA 1 ATOM 150 C C . GLN A 1 19 ? 37.847 -2.280 16.573 1.00 40.02 ? 360 GLN A C 1 ATOM 151 O O . GLN A 1 19 ? 38.916 -1.739 16.285 1.00 39.01 ? 360 GLN A O 1 ATOM 152 C CB . GLN A 1 19 ? 36.890 -4.237 15.395 1.00 40.83 ? 360 GLN A CB 1 ATOM 153 C CG . GLN A 1 19 ? 37.630 -5.077 14.377 1.00 43.62 ? 360 GLN A CG 1 ATOM 154 C CD . GLN A 1 19 ? 37.231 -6.537 14.423 1.00 49.83 ? 360 GLN A CD 1 ATOM 155 O OE1 . GLN A 1 19 ? 38.093 -7.432 14.412 1.00 53.09 ? 360 GLN A OE1 1 ATOM 156 N NE2 . GLN A 1 19 ? 35.916 -6.793 14.456 1.00 51.25 ? 360 GLN A NE2 1 ATOM 157 N N . TRP A 1 20 ? 36.741 -1.599 16.882 1.00 39.30 ? 361 TRP A N 1 ATOM 158 C CA . TRP A 1 20 ? 36.725 -0.150 16.943 1.00 39.07 ? 361 TRP A CA 1 ATOM 159 C C . TRP A 1 20 ? 37.692 0.345 18.017 1.00 39.85 ? 361 TRP A C 1 ATOM 160 O O . TRP A 1 20 ? 38.421 1.324 17.819 1.00 39.88 ? 361 TRP A O 1 ATOM 161 C CB . TRP A 1 20 ? 35.297 0.321 17.256 1.00 38.86 ? 361 TRP A CB 1 ATOM 162 C CG . TRP A 1 20 ? 35.124 1.794 17.328 1.00 37.76 ? 361 TRP A CG 1 ATOM 163 C CD1 . TRP A 1 20 ? 36.003 2.749 16.915 1.00 35.89 ? 361 TRP A CD1 1 ATOM 164 C CD2 . TRP A 1 20 ? 33.989 2.492 17.843 1.00 36.57 ? 361 TRP A CD2 1 ATOM 165 N NE1 . TRP A 1 20 ? 35.496 4.002 17.158 1.00 35.07 ? 361 TRP A NE1 1 ATOM 166 C CE2 . TRP A 1 20 ? 34.247 3.872 17.710 1.00 36.08 ? 361 TRP A CE2 1 ATOM 167 C CE3 . TRP A 1 20 ? 32.769 2.092 18.397 1.00 36.53 ? 361 TRP A CE3 1 ATOM 168 C CZ2 . TRP A 1 20 ? 33.343 4.847 18.123 1.00 35.06 ? 361 TRP A CZ2 1 ATOM 169 C CZ3 . TRP A 1 20 ? 31.871 3.070 18.809 1.00 34.85 ? 361 TRP A CZ3 1 ATOM 170 C CH2 . TRP A 1 20 ? 32.158 4.422 18.661 1.00 35.06 ? 361 TRP A CH2 1 ATOM 171 N N . SER A 1 21 ? 37.685 -0.329 19.160 1.00 39.64 ? 362 SER A N 1 ATOM 172 C CA . SER A 1 21 ? 38.520 0.049 20.281 1.00 40.80 ? 362 SER A CA 1 ATOM 173 C C . SER A 1 21 ? 39.987 0.012 19.863 1.00 42.20 ? 362 SER A C 1 ATOM 174 O O . SER A 1 21 ? 40.729 0.992 20.015 1.00 42.44 ? 362 SER A O 1 ATOM 175 C CB . SER A 1 21 ? 38.310 -0.930 21.429 1.00 39.76 ? 362 SER A CB 1 ATOM 176 O OG . SER A 1 21 ? 39.026 -0.519 22.573 1.00 40.26 ? 362 SER A OG 1 ATOM 177 N N . GLN A 1 22 ? 40.377 -1.151 19.358 1.00 43.33 ? 363 GLN A N 1 ATOM 178 C CA . GLN A 1 22 ? 41.720 -1.395 18.864 1.00 45.61 ? 363 GLN A CA 1 ATOM 179 C C . GLN A 1 22 ? 42.145 -0.322 17.876 1.00 45.87 ? 363 GLN A C 1 ATOM 180 O O . GLN A 1 22 ? 43.192 0.292 18.036 1.00 46.08 ? 363 GLN A O 1 ATOM 181 C CB . GLN A 1 22 ? 41.759 -2.764 18.183 1.00 46.02 ? 363 GLN A CB 1 ATOM 182 C CG . GLN A 1 22 ? 42.974 -2.993 17.305 1.00 49.79 ? 363 GLN A CG 1 ATOM 183 C CD . GLN A 1 22 ? 43.226 -4.467 17.063 1.00 54.53 ? 363 GLN A CD 1 ATOM 184 O OE1 . GLN A 1 22 ? 44.336 -4.956 17.296 1.00 57.11 ? 363 GLN A OE1 1 ATOM 185 N NE2 . GLN A 1 22 ? 42.196 -5.187 16.608 1.00 56.29 ? 363 GLN A NE2 1 ATOM 186 N N . GLN A 1 23 ? 41.310 -0.072 16.871 1.00 46.29 ? 364 GLN A N 1 ATOM 187 C CA . GLN A 1 23 ? 41.652 0.894 15.838 1.00 46.21 ? 364 GLN A CA 1 ATOM 188 C C . GLN A 1 23 ? 41.703 2.328 16.340 1.00 46.04 ? 364 GLN A C 1 ATOM 189 O O . GLN A 1 23 ? 42.386 3.164 15.751 1.00 45.70 ? 364 GLN A O 1 ATOM 190 C CB . GLN A 1 23 ? 40.713 0.763 14.637 1.00 46.36 ? 364 GLN A CB 1 ATOM 191 C CG . GLN A 1 23 ? 40.771 -0.600 13.962 1.00 47.78 ? 364 GLN A CG 1 ATOM 192 C CD . GLN A 1 23 ? 42.114 -0.876 13.298 1.00 49.92 ? 364 GLN A CD 1 ATOM 193 O OE1 . GLN A 1 23 ? 42.766 0.039 12.798 1.00 51.12 ? 364 GLN A OE1 1 ATOM 194 N NE2 . GLN A 1 23 ? 42.530 -2.135 13.302 1.00 51.12 ? 364 GLN A NE2 1 ATOM 195 N N . SER A 1 24 ? 41.001 2.616 17.436 1.00 45.37 ? 365 SER A N 1 ATOM 196 C CA . SER A 1 24 ? 40.964 3.972 17.966 1.00 44.65 ? 365 SER A CA 1 ATOM 197 C C . SER A 1 24 ? 42.108 4.255 18.937 1.00 44.69 ? 365 SER A C 1 ATOM 198 O O . SER A 1 24 ? 42.149 5.313 19.550 1.00 44.40 ? 365 SER A O 1 ATOM 199 C CB . SER A 1 24 ? 39.642 4.226 18.693 1.00 44.34 ? 365 SER A CB 1 ATOM 200 O OG . SER A 1 24 ? 39.665 3.605 19.966 1.00 42.96 ? 365 SER A OG 1 ATOM 201 N N . GLY A 1 25 ? 43.028 3.312 19.094 1.00 45.23 ? 366 GLY A N 1 ATOM 202 C CA . GLY A 1 25 ? 44.106 3.509 20.044 1.00 45.51 ? 366 GLY A CA 1 ATOM 203 C C . GLY A 1 25 ? 43.507 3.629 21.432 1.00 45.88 ? 366 GLY A C 1 ATOM 204 O O . GLY A 1 25 ? 43.933 4.430 22.256 1.00 45.77 ? 366 GLY A O 1 ATOM 205 N N . GLN A 1 26 ? 42.482 2.818 21.671 1.00 46.01 ? 367 GLN A N 1 ATOM 206 C CA . GLN A 1 26 ? 41.762 2.802 22.936 1.00 45.81 ? 367 GLN A CA 1 ATOM 207 C C . GLN A 1 26 ? 41.170 4.131 23.381 1.00 44.99 ? 367 GLN A C 1 ATOM 208 O O . GLN A 1 26 ? 40.868 4.295 24.547 1.00 45.19 ? 367 GLN A O 1 ATOM 209 C CB . GLN A 1 26 ? 42.567 2.108 24.043 1.00 46.28 ? 367 GLN A CB 1 ATOM 210 C CG . GLN A 1 26 ? 42.420 0.581 23.991 1.00 48.75 ? 367 GLN A CG 1 ATOM 211 C CD . GLN A 1 26 ? 43.593 -0.173 24.604 1.00 53.50 ? 367 GLN A CD 1 ATOM 212 O OE1 . GLN A 1 26 ? 44.599 0.431 24.984 1.00 55.73 ? 367 GLN A OE1 1 ATOM 213 N NE2 . GLN A 1 26 ? 43.472 -1.498 24.689 1.00 54.00 ? 367 GLN A NE2 1 ATOM 214 N N . ASN A 1 27 ? 40.989 5.073 22.457 1.00 44.12 ? 368 ASN A N 1 ATOM 215 C CA . ASN A 1 27 ? 40.274 6.312 22.780 1.00 44.19 ? 368 ASN A CA 1 ATOM 216 C C . ASN A 1 27 ? 38.808 5.962 23.056 1.00 42.99 ? 368 ASN A C 1 ATOM 217 O O . ASN A 1 27 ? 38.093 6.692 23.737 1.00 42.59 ? 368 ASN A O 1 ATOM 218 C CB . ASN A 1 27 ? 40.346 7.342 21.648 1.00 44.88 ? 368 ASN A CB 1 ATOM 219 C CG . ASN A 1 27 ? 41.683 8.121 21.623 1.00 49.92 ? 368 ASN A CG 1 ATOM 220 O OD1 . ASN A 1 27 ? 42.408 8.159 22.614 1.00 49.27 ? 368 ASN A OD1 1 ATOM 221 N ND2 . ASN A 1 27 ? 41.995 8.734 20.475 1.00 57.08 ? 368 ASN A ND2 1 ATOM 222 N N . VAL A 1 28 ? 38.363 4.856 22.472 1.00 42.02 ? 369 VAL A N 1 ATOM 223 C CA . VAL A 1 28 ? 37.039 4.324 22.746 1.00 40.63 ? 369 VAL A CA 1 ATOM 224 C C . VAL A 1 28 ? 37.277 2.943 23.300 1.00 40.47 ? 369 VAL A C 1 ATOM 225 O O . VAL A 1 28 ? 38.101 2.188 22.780 1.00 40.16 ? 369 VAL A O 1 ATOM 226 C CB . VAL A 1 28 ? 36.180 4.189 21.498 1.00 40.90 ? 369 VAL A CB 1 ATOM 227 C CG1 . VAL A 1 28 ? 34.907 3.383 21.819 1.00 39.88 ? 369 VAL A CG1 1 ATOM 228 C CG2 . VAL A 1 28 ? 35.822 5.554 20.949 1.00 40.54 ? 369 VAL A CG2 1 ATOM 229 N N . THR A 1 29 ? 36.583 2.631 24.382 1.00 39.76 ? 370 THR A N 1 ATOM 230 C CA . THR A 1 29 ? 36.667 1.321 24.994 1.00 39.89 ? 370 THR A CA 1 ATOM 231 C C . THR A 1 29 ? 35.282 0.683 25.024 1.00 39.57 ? 370 THR A C 1 ATOM 232 O O . THR A 1 29 ? 34.285 1.347 24.764 1.00 38.38 ? 370 THR A O 1 ATOM 233 C CB . THR A 1 29 ? 37.295 1.423 26.386 1.00 40.28 ? 370 THR A CB 1 ATOM 234 O OG1 . THR A 1 29 ? 38.735 1.447 26.236 1.00 41.84 ? 370 THR A OG1 1 ATOM 235 C CG2 . THR A 1 29 ? 37.079 0.163 27.148 1.00 41.61 ? 370 THR A CG2 1 ATOM 236 N N . CYS A 1 30 ? 35.229 -0.597 25.364 1.00 39.27 ? 371 CYS A N 1 ATOM 237 C CA . CYS A 1 30 ? 33.991 -1.339 25.255 1.00 39.74 ? 371 CYS A CA 1 ATOM 238 C C . CYS A 1 30 ? 33.448 -1.955 26.529 1.00 38.57 ? 371 CYS A C 1 ATOM 239 O O . CYS A 1 30 ? 34.185 -2.461 27.369 1.00 38.97 ? 371 CYS A O 1 ATOM 240 C CB . CYS A 1 30 ? 34.170 -2.429 24.201 1.00 39.83 ? 371 CYS A CB 1 ATOM 241 S SG . CYS A 1 30 ? 34.443 -1.678 22.602 1.00 45.27 ? 371 CYS A SG 1 ATOM 242 N N . ALA A 1 31 ? 32.137 -1.876 26.675 1.00 36.72 ? 372 ALA A N 1 ATOM 243 C CA . ALA A 1 31 ? 31.466 -2.586 27.735 1.00 35.37 ? 372 ALA A CA 1 ATOM 244 C C . ALA A 1 31 ? 30.363 -3.342 27.017 1.00 34.75 ? 372 ALA A C 1 ATOM 245 O O . ALA A 1 31 ? 29.878 -2.892 25.988 1.00 33.59 ? 372 ALA A O 1 ATOM 246 C CB . ALA A 1 31 ? 30.892 -1.624 28.753 1.00 35.55 ? 372 ALA A CB 1 ATOM 247 N N . THR A 1 32 ? 29.985 -4.496 27.546 1.00 34.52 ? 373 THR A N 1 ATOM 248 C CA . THR A 1 32 ? 28.950 -5.300 26.925 1.00 34.14 ? 373 THR A CA 1 ATOM 249 C C . THR A 1 32 ? 27.862 -5.688 27.919 1.00 32.95 ? 373 THR A C 1 ATOM 250 O O . THR A 1 32 ? 28.104 -5.832 29.116 1.00 32.18 ? 373 THR A O 1 ATOM 251 C CB . THR A 1 32 ? 29.564 -6.551 26.253 1.00 34.86 ? 373 THR A CB 1 ATOM 252 O OG1 . THR A 1 32 ? 30.714 -6.156 25.492 1.00 38.93 ? 373 THR A OG1 1 ATOM 253 C CG2 . THR A 1 32 ? 28.644 -7.070 25.152 1.00 33.22 ? 373 THR A CG2 1 ATOM 254 N N . ALA A 1 33 ? 26.655 -5.842 27.384 1.00 32.16 ? 374 ALA A N 1 ATOM 255 C CA . ALA A 1 33 ? 25.492 -6.251 28.142 1.00 31.18 ? 374 ALA A CA 1 ATOM 256 C C . ALA A 1 33 ? 24.612 -7.084 27.202 1.00 30.43 ? 374 ALA A C 1 ATOM 257 O O . ALA A 1 33 ? 24.739 -6.995 25.983 1.00 30.28 ? 374 ALA A O 1 ATOM 258 C CB . ALA A 1 33 ? 24.740 -5.022 28.656 1.00 30.91 ? 374 ALA A CB 1 ATOM 259 N N . SER A 1 34 ? 23.721 -7.894 27.766 1.00 30.19 ? 375 SER A N 1 ATOM 260 C CA . SER A 1 34 ? 22.866 -8.750 26.964 1.00 30.22 ? 375 SER A CA 1 ATOM 261 C C . SER A 1 34 ? 21.673 -8.056 26.325 1.00 29.36 ? 375 SER A C 1 ATOM 262 O O . SER A 1 34 ? 21.084 -8.585 25.388 1.00 29.25 ? 375 SER A O 1 ATOM 263 C CB . SER A 1 34 ? 22.349 -9.913 27.815 1.00 31.14 ? 375 SER A CB 1 ATOM 264 O OG . SER A 1 34 ? 23.399 -10.838 27.979 1.00 34.74 ? 375 SER A OG 1 ATOM 265 N N . THR A 1 35 ? 21.282 -6.900 26.830 1.00 28.02 ? 376 THR A N 1 ATOM 266 C CA . THR A 1 35 ? 20.142 -6.225 26.229 1.00 27.94 ? 376 THR A CA 1 ATOM 267 C C . THR A 1 35 ? 20.399 -4.759 26.295 1.00 27.90 ? 376 THR A C 1 ATOM 268 O O . THR A 1 35 ? 21.258 -4.306 27.063 1.00 26.68 ? 376 THR A O 1 ATOM 269 C CB . THR A 1 35 ? 18.839 -6.493 27.017 1.00 28.22 ? 376 THR A CB 1 ATOM 270 O OG1 . THR A 1 35 ? 19.004 -5.981 28.341 1.00 27.24 ? 376 THR A OG1 1 ATOM 271 C CG2 . THR A 1 35 ? 18.593 -7.993 27.247 1.00 29.41 ? 376 THR A CG2 1 ATOM 272 N N . THR A 1 36 ? 19.613 -4.018 25.520 1.00 27.53 ? 377 THR A N 1 ATOM 273 C CA . THR A 1 36 ? 19.724 -2.579 25.467 1.00 27.39 ? 377 THR A CA 1 ATOM 274 C C . THR A 1 36 ? 19.412 -1.960 26.824 1.00 27.26 ? 377 THR A C 1 ATOM 275 O O . THR A 1 36 ? 20.105 -1.019 27.253 1.00 25.51 ? 377 THR A O 1 ATOM 276 C CB . THR A 1 36 ? 18.806 -2.020 24.368 1.00 27.09 ? 377 THR A CB 1 ATOM 277 O OG1 . THR A 1 36 ? 19.179 -2.628 23.115 1.00 27.66 ? 377 THR A OG1 1 ATOM 278 C CG2 . THR A 1 36 ? 19.092 -0.515 24.171 1.00 26.84 ? 377 THR A CG2 1 ATOM 279 N N . ASP A 1 37 ? 18.380 -2.492 27.489 1.00 26.80 ? 378 ASP A N 1 ATOM 280 C CA . ASP A 1 37 ? 18.019 -2.026 28.832 1.00 28.66 ? 378 ASP A CA 1 ATOM 281 C C . ASP A 1 37 ? 19.208 -2.204 29.798 1.00 27.52 ? 378 ASP A C 1 ATOM 282 O O . ASP A 1 37 ? 19.501 -1.326 30.599 1.00 27.00 ? 378 ASP A O 1 ATOM 283 C CB . ASP A 1 37 ? 16.803 -2.824 29.343 1.00 29.99 ? 378 ASP A CB 1 ATOM 284 C CG . ASP A 1 37 ? 15.470 -2.218 28.889 1.00 34.22 ? 378 ASP A CG 1 ATOM 285 O OD1 . ASP A 1 37 ? 15.436 -1.032 28.489 1.00 38.84 ? 378 ASP A OD1 1 ATOM 286 O OD2 . ASP A 1 37 ? 14.396 -2.851 28.899 1.00 38.26 ? 378 ASP A OD2 1 ATOM 287 N N . ASP A 1 38 ? 19.893 -3.344 29.739 1.00 27.10 ? 379 ASP A N 1 ATOM 288 C CA . ASP A 1 38 ? 21.062 -3.546 30.599 1.00 27.74 ? 379 ASP A CA 1 ATOM 289 C C . ASP A 1 38 ? 22.157 -2.528 30.316 1.00 26.92 ? 379 ASP A C 1 ATOM 290 O O . ASP A 1 38 ? 22.921 -2.179 31.206 1.00 27.01 ? 379 ASP A O 1 ATOM 291 C CB . ASP A 1 38 ? 21.682 -4.918 30.372 1.00 27.78 ? 379 ASP A CB 1 ATOM 292 C CG . ASP A 1 38 ? 20.926 -6.044 31.063 1.00 32.86 ? 379 ASP A CG 1 ATOM 293 O OD1 . ASP A 1 38 ? 19.938 -5.759 31.765 1.00 34.00 ? 379 ASP A OD1 1 ATOM 294 O OD2 . ASP A 1 38 ? 21.246 -7.263 30.958 1.00 36.71 ? 379 ASP A OD2 1 ATOM 295 N N . CYS A 1 39 ? 22.313 -2.186 29.041 1.00 26.28 ? 380 CYS A N 1 ATOM 296 C CA . CYS A 1 39 ? 23.309 -1.198 28.633 1.00 26.58 ? 380 CYS A CA 1 ATOM 297 C C . CYS A 1 39 ? 22.955 0.200 29.193 1.00 26.16 ? 380 CYS A C 1 ATOM 298 O O . CYS A 1 39 ? 23.829 0.889 29.696 1.00 25.65 ? 380 CYS A O 1 ATOM 299 C CB . CYS A 1 39 ? 23.446 -1.146 27.107 1.00 26.29 ? 380 CYS A CB 1 ATOM 300 S SG . CYS A 1 39 ? 24.780 -2.152 26.417 1.00 28.09 ? 380 CYS A SG 1 ATOM 301 N N . ILE A 1 40 ? 21.673 0.567 29.115 1.00 26.07 ? 381 ILE A N 1 ATOM 302 C CA . ILE A 1 40 ? 21.166 1.792 29.714 1.00 27.14 ? 381 ILE A CA 1 ATOM 303 C C . ILE A 1 40 ? 21.565 1.818 31.191 1.00 25.65 ? 381 ILE A C 1 ATOM 304 O O . ILE A 1 40 ? 22.093 2.806 31.688 1.00 25.84 ? 381 ILE A O 1 ATOM 305 C CB . ILE A 1 40 ? 19.617 1.888 29.577 1.00 28.21 ? 381 ILE A CB 1 ATOM 306 C CG1 . ILE A 1 40 ? 19.174 1.783 28.112 1.00 32.05 ? 381 ILE A CG1 1 ATOM 307 C CG2 . ILE A 1 40 ? 19.105 3.208 30.180 1.00 27.95 ? 381 ILE A CG2 1 ATOM 308 C CD1 . ILE A 1 40 ? 20.057 2.494 27.173 1.00 36.71 ? 381 ILE A CD1 1 ATOM 309 N N . VAL A 1 41 ? 21.324 0.707 31.884 1.00 24.99 ? 382 VAL A N 1 ATOM 310 C CA . VAL A 1 41 ? 21.666 0.620 33.296 1.00 24.82 ? 382 VAL A CA 1 ATOM 311 C C . VAL A 1 41 ? 23.196 0.827 33.518 1.00 24.40 ? 382 VAL A C 1 ATOM 312 O O . VAL A 1 41 ? 23.598 1.505 34.447 1.00 23.62 ? 382 VAL A O 1 ATOM 313 C CB . VAL A 1 41 ? 21.165 -0.716 33.898 1.00 24.54 ? 382 VAL A CB 1 ATOM 314 C CG1 . VAL A 1 41 ? 21.845 -1.006 35.180 1.00 24.93 ? 382 VAL A CG1 1 ATOM 315 C CG2 . VAL A 1 41 ? 19.584 -0.677 34.095 1.00 24.40 ? 382 VAL A CG2 1 ATOM 316 N N . LEU A 1 42 ? 24.035 0.245 32.663 1.00 24.62 ? 383 LEU A N 1 ATOM 317 C CA . LEU A 1 42 ? 25.490 0.478 32.793 1.00 25.05 ? 383 LEU A CA 1 ATOM 318 C C . LEU A 1 42 ? 25.840 1.978 32.681 1.00 24.80 ? 383 LEU A C 1 ATOM 319 O O . LEU A 1 42 ? 26.624 2.517 33.483 1.00 25.57 ? 383 LEU A O 1 ATOM 320 C CB . LEU A 1 42 ? 26.298 -0.362 31.775 1.00 25.17 ? 383 LEU A CB 1 ATOM 321 C CG . LEU A 1 42 ? 26.384 -1.883 31.959 1.00 24.71 ? 383 LEU A CG 1 ATOM 322 C CD1 . LEU A 1 42 ? 27.290 -2.558 30.923 1.00 26.22 ? 383 LEU A CD1 1 ATOM 323 C CD2 . LEU A 1 42 ? 26.863 -2.219 33.366 1.00 27.44 ? 383 LEU A CD2 1 ATOM 324 N N . VAL A 1 43 ? 25.244 2.656 31.702 1.00 24.77 ? 384 VAL A N 1 ATOM 325 C CA . VAL A 1 43 ? 25.456 4.082 31.513 1.00 24.48 ? 384 VAL A CA 1 ATOM 326 C C . VAL A 1 43 ? 24.989 4.850 32.747 1.00 25.62 ? 384 VAL A C 1 ATOM 327 O O . VAL A 1 43 ? 25.716 5.692 33.270 1.00 25.41 ? 384 VAL A O 1 ATOM 328 C CB . VAL A 1 43 ? 24.711 4.638 30.261 1.00 24.66 ? 384 VAL A CB 1 ATOM 329 C CG1 . VAL A 1 43 ? 24.984 6.118 30.091 1.00 23.02 ? 384 VAL A CG1 1 ATOM 330 C CG2 . VAL A 1 43 ? 25.086 3.858 28.980 1.00 24.25 ? 384 VAL A CG2 1 ATOM 331 N N . LEU A 1 44 ? 23.794 4.523 33.242 1.00 25.20 ? 385 LEU A N 1 ATOM 332 C CA . LEU A 1 44 ? 23.272 5.157 34.448 1.00 26.00 ? 385 LEU A CA 1 ATOM 333 C C . LEU A 1 44 ? 24.197 4.983 35.619 1.00 25.83 ? 385 LEU A C 1 ATOM 334 O O . LEU A 1 44 ? 24.397 5.916 36.396 1.00 26.23 ? 385 LEU A O 1 ATOM 335 C CB . LEU A 1 44 ? 21.886 4.597 34.827 1.00 25.06 ? 385 LEU A CB 1 ATOM 336 C CG . LEU A 1 44 ? 20.803 4.985 33.838 1.00 28.29 ? 385 LEU A CG 1 ATOM 337 C CD1 . LEU A 1 44 ? 19.551 4.101 33.989 1.00 29.05 ? 385 LEU A CD1 1 ATOM 338 C CD2 . LEU A 1 44 ? 20.489 6.489 34.005 1.00 30.01 ? 385 LEU A CD2 1 ATOM 339 N N . LYS A 1 45 ? 24.728 3.781 35.779 1.00 26.37 ? 386 LYS A N 1 ATOM 340 C CA . LYS A 1 45 ? 25.668 3.521 36.871 1.00 27.16 ? 386 LYS A CA 1 ATOM 341 C C . LYS A 1 45 ? 27.020 4.186 36.622 1.00 28.02 ? 386 LYS A C 1 ATOM 342 O O . LYS A 1 45 ? 27.817 4.304 37.529 1.00 29.20 ? 386 LYS A O 1 ATOM 343 C CB . LYS A 1 45 ? 25.895 2.011 37.062 1.00 26.19 ? 386 LYS A CB 1 ATOM 344 C CG . LYS A 1 45 ? 24.684 1.247 37.658 1.00 27.22 ? 386 LYS A CG 1 ATOM 345 C CD . LYS A 1 45 ? 25.051 -0.162 38.113 1.00 27.80 ? 386 LYS A CD 1 ATOM 346 C CE . LYS A 1 45 ? 25.360 -1.106 36.958 1.00 28.86 ? 386 LYS A CE 1 ATOM 347 N NZ . LYS A 1 45 ? 25.873 -2.453 37.436 1.00 29.95 ? 386 LYS A NZ 1 ATOM 348 N N . GLY A 1 46 ? 27.280 4.591 35.391 1.00 29.15 ? 387 GLY A N 1 ATOM 349 C CA . GLY A 1 46 ? 28.534 5.242 35.076 1.00 29.26 ? 387 GLY A CA 1 ATOM 350 C C . GLY A 1 46 ? 29.586 4.239 34.661 1.00 30.72 ? 387 GLY A C 1 ATOM 351 O O . GLY A 1 46 ? 30.765 4.588 34.503 1.00 31.02 ? 387 GLY A O 1 ATOM 352 N N . GLU A 1 47 ? 29.175 2.994 34.465 1.00 30.16 ? 388 GLU A N 1 ATOM 353 C CA . GLU A 1 47 ? 30.124 1.959 34.109 1.00 30.91 ? 388 GLU A CA 1 ATOM 354 C C . GLU A 1 47 ? 30.350 1.911 32.605 1.00 30.65 ? 388 GLU A C 1 ATOM 355 O O . GLU A 1 47 ? 31.295 1.266 32.137 1.00 31.81 ? 388 GLU A O 1 ATOM 356 C CB . GLU A 1 47 ? 29.688 0.606 34.684 1.00 30.94 ? 388 GLU A CB 1 ATOM 357 C CG . GLU A 1 47 ? 29.907 0.550 36.188 1.00 32.20 ? 388 GLU A CG 1 ATOM 358 C CD . GLU A 1 47 ? 29.062 -0.522 36.851 1.00 32.94 ? 388 GLU A CD 1 ATOM 359 O OE1 . GLU A 1 47 ? 28.545 -0.257 37.947 1.00 33.87 ? 388 GLU A OE1 1 ATOM 360 O OE2 . GLU A 1 47 ? 28.917 -1.620 36.269 1.00 31.57 ? 388 GLU A OE2 1 ATOM 361 N N . ALA A 1 48 ? 29.467 2.583 31.860 1.00 28.95 ? 389 ALA A N 1 ATOM 362 C CA . ALA A 1 48 ? 29.628 2.792 30.426 1.00 27.88 ? 389 ALA A CA 1 ATOM 363 C C . ALA A 1 48 ? 29.270 4.279 30.156 1.00 27.98 ? 389 ALA A C 1 ATOM 364 O O . ALA A 1 48 ? 28.640 4.923 30.987 1.00 27.31 ? 389 ALA A O 1 ATOM 365 C CB . ALA A 1 48 ? 28.752 1.836 29.621 1.00 28.53 ? 389 ALA A CB 1 ATOM 366 N N . ASP A 1 49 ? 29.677 4.827 29.017 1.00 26.36 ? 390 ASP A N 1 ATOM 367 C CA . ASP A 1 49 ? 29.383 6.225 28.740 1.00 27.54 ? 390 ASP A CA 1 ATOM 368 C C . ASP A 1 49 ? 28.251 6.431 27.787 1.00 27.13 ? 390 ASP A C 1 ATOM 369 O O . ASP A 1 49 ? 27.528 7.418 27.930 1.00 27.64 ? 390 ASP A O 1 ATOM 370 C CB . ASP A 1 49 ? 30.545 6.953 28.068 1.00 27.92 ? 390 ASP A CB 1 ATOM 371 C CG . ASP A 1 49 ? 31.679 7.222 29.008 1.00 30.99 ? 390 ASP A CG 1 ATOM 372 O OD1 . ASP A 1 49 ? 31.421 7.697 30.134 1.00 31.00 ? 390 ASP A OD1 1 ATOM 373 O OD2 . ASP A 1 49 ? 32.870 6.991 28.699 1.00 35.25 ? 390 ASP A OD2 1 ATOM 374 N N . ALA A 1 50 ? 28.141 5.556 26.791 1.00 26.48 ? 391 ALA A N 1 ATOM 375 C CA . ALA A 1 50 ? 27.210 5.814 25.704 1.00 26.52 ? 391 ALA A CA 1 ATOM 376 C C . ALA A 1 50 ? 26.907 4.624 24.825 1.00 26.00 ? 391 ALA A C 1 ATOM 377 O O . ALA A 1 50 ? 27.633 3.636 24.805 1.00 26.51 ? 391 ALA A O 1 ATOM 378 C CB . ALA A 1 50 ? 27.750 6.964 24.821 1.00 26.07 ? 391 ALA A CB 1 ATOM 379 N N . LEU A 1 51 ? 25.800 4.737 24.109 1.00 25.88 ? 392 LEU A N 1 ATOM 380 C CA . LEU A 1 51 ? 25.454 3.795 23.055 1.00 26.12 ? 392 LEU A CA 1 ATOM 381 C C . LEU A 1 51 ? 24.385 4.449 22.187 1.00 25.91 ? 392 LEU A C 1 ATOM 382 O O . LEU A 1 51 ? 23.796 5.454 22.561 1.00 26.26 ? 392 LEU A O 1 ATOM 383 C CB . LEU A 1 51 ? 24.977 2.448 23.598 1.00 26.10 ? 392 LEU A CB 1 ATOM 384 C CG . LEU A 1 51 ? 23.512 2.381 24.061 1.00 25.00 ? 392 LEU A CG 1 ATOM 385 C CD1 . LEU A 1 51 ? 23.093 0.926 24.247 1.00 25.25 ? 392 LEU A CD1 1 ATOM 386 C CD2 . LEU A 1 51 ? 23.376 3.128 25.380 1.00 23.80 ? 392 LEU A CD2 1 ATOM 387 N N . ASN A 1 52 ? 24.139 3.871 21.029 1.00 25.95 ? 393 ASN A N 1 ATOM 388 C CA . ASN A 1 52 ? 23.247 4.466 20.060 1.00 25.96 ? 393 ASN A CA 1 ATOM 389 C C . ASN A 1 52 ? 21.914 3.742 20.198 1.00 25.55 ? 393 ASN A C 1 ATOM 390 O O . ASN A 1 52 ? 21.885 2.536 20.332 1.00 26.34 ? 393 ASN A O 1 ATOM 391 C CB . ASN A 1 52 ? 23.875 4.273 18.671 1.00 26.86 ? 393 ASN A CB 1 ATOM 392 C CG . ASN A 1 52 ? 22.971 4.716 17.538 1.00 28.46 ? 393 ASN A CG 1 ATOM 393 O OD1 . ASN A 1 52 ? 22.494 5.831 17.527 1.00 31.15 ? 393 ASN A OD1 1 ATOM 394 N ND2 . ASN A 1 52 ? 22.742 3.834 16.579 1.00 29.43 ? 393 ASN A ND2 1 ATOM 395 N N . LEU A 1 53 ? 20.819 4.482 20.163 1.00 25.24 ? 394 LEU A N 1 ATOM 396 C CA . LEU A 1 53 ? 19.540 3.885 20.525 1.00 24.74 ? 394 LEU A CA 1 ATOM 397 C C . LEU A 1 53 ? 18.402 4.242 19.617 1.00 23.92 ? 394 LEU A C 1 ATOM 398 O O . LEU A 1 53 ? 18.295 5.355 19.120 1.00 22.61 ? 394 LEU A O 1 ATOM 399 C CB . LEU A 1 53 ? 19.117 4.366 21.929 1.00 24.57 ? 394 LEU A CB 1 ATOM 400 C CG . LEU A 1 53 ? 19.865 4.066 23.231 1.00 26.18 ? 394 LEU A CG 1 ATOM 401 C CD1 . LEU A 1 53 ? 19.170 4.760 24.374 1.00 27.47 ? 394 LEU A CD1 1 ATOM 402 C CD2 . LEU A 1 53 ? 19.978 2.562 23.484 1.00 25.08 ? 394 LEU A CD2 1 ATOM 403 N N . ASP A 1 54 ? 17.508 3.273 19.456 1.00 24.50 ? 395 ASP A N 1 ATOM 404 C CA . ASP A 1 54 ? 16.244 3.509 18.794 1.00 24.59 ? 395 ASP A CA 1 ATOM 405 C C . ASP A 1 54 ? 15.378 4.430 19.678 1.00 24.63 ? 395 ASP A C 1 ATOM 406 O O . ASP A 1 54 ? 15.530 4.453 20.887 1.00 25.50 ? 395 ASP A O 1 ATOM 407 C CB . ASP A 1 54 ? 15.557 2.169 18.554 1.00 24.23 ? 395 ASP A CB 1 ATOM 408 C CG . ASP A 1 54 ? 14.092 2.330 18.265 1.00 24.71 ? 395 ASP A CG 1 ATOM 409 O OD1 . ASP A 1 54 ? 13.767 2.643 17.120 1.00 24.67 ? 395 ASP A OD1 1 ATOM 410 O OD2 . ASP A 1 54 ? 13.218 2.198 19.138 1.00 25.79 ? 395 ASP A OD2 1 ATOM 411 N N . GLY A 1 55 ? 14.456 5.173 19.070 1.00 25.47 ? 396 GLY A N 1 ATOM 412 C CA . GLY A 1 55 ? 13.583 6.088 19.794 1.00 25.03 ? 396 GLY A CA 1 ATOM 413 C C . GLY A 1 55 ? 12.818 5.561 20.998 1.00 24.63 ? 396 GLY A C 1 ATOM 414 O O . GLY A 1 55 ? 12.665 6.281 21.979 1.00 22.61 ? 396 GLY A O 1 ATOM 415 N N . GLY A 1 56 ? 12.335 4.320 20.932 1.00 25.85 ? 397 GLY A N 1 ATOM 416 C CA . GLY A 1 56 ? 11.607 3.741 22.059 1.00 26.08 ? 397 GLY A CA 1 ATOM 417 C C . GLY A 1 56 ? 12.504 3.572 23.280 1.00 27.00 ? 397 GLY A C 1 ATOM 418 O O . GLY A 1 56 ? 12.080 3.695 24.451 1.00 25.96 ? 397 GLY A O 1 ATOM 419 N N . TYR A 1 57 ? 13.772 3.283 23.013 1.00 27.44 ? 398 TYR A N 1 ATOM 420 C CA . TYR A 1 57 ? 14.744 3.169 24.090 1.00 28.86 ? 398 TYR A CA 1 ATOM 421 C C . TYR A 1 57 ? 15.174 4.576 24.521 1.00 28.90 ? 398 TYR A C 1 ATOM 422 O O . TYR A 1 57 ? 15.473 4.815 25.698 1.00 30.60 ? 398 TYR A O 1 ATOM 423 C CB . TYR A 1 57 ? 15.976 2.342 23.647 1.00 29.08 ? 398 TYR A CB 1 ATOM 424 C CG . TYR A 1 57 ? 15.761 0.877 23.224 1.00 31.16 ? 398 TYR A CG 1 ATOM 425 C CD1 . TYR A 1 57 ? 15.075 -0.037 24.031 1.00 34.54 ? 398 TYR A CD1 1 ATOM 426 C CD2 . TYR A 1 57 ? 16.320 0.399 22.044 1.00 34.68 ? 398 TYR A CD2 1 ATOM 427 C CE1 . TYR A 1 57 ? 14.917 -1.375 23.636 1.00 35.20 ? 398 TYR A CE1 1 ATOM 428 C CE2 . TYR A 1 57 ? 16.171 -0.933 21.643 1.00 34.74 ? 398 TYR A CE2 1 ATOM 429 C CZ . TYR A 1 57 ? 15.473 -1.810 22.433 1.00 36.70 ? 398 TYR A CZ 1 ATOM 430 O OH . TYR A 1 57 ? 15.365 -3.123 21.997 1.00 37.96 ? 398 TYR A OH 1 ATOM 431 N N . ILE A 1 58 ? 15.212 5.523 23.586 1.00 28.43 ? 399 ILE A N 1 ATOM 432 C CA . ILE A 1 58 ? 15.580 6.883 23.967 1.00 28.58 ? 399 ILE A CA 1 ATOM 433 C C . ILE A 1 58 ? 14.601 7.389 25.020 1.00 29.73 ? 399 ILE A C 1 ATOM 434 O O . ILE A 1 58 ? 14.966 8.120 25.970 1.00 28.65 ? 399 ILE A O 1 ATOM 435 C CB . ILE A 1 58 ? 15.574 7.804 22.749 1.00 28.62 ? 399 ILE A CB 1 ATOM 436 C CG1 . ILE A 1 58 ? 16.833 7.567 21.892 1.00 27.66 ? 399 ILE A CG1 1 ATOM 437 C CG2 . ILE A 1 58 ? 15.516 9.258 23.177 1.00 29.18 ? 399 ILE A CG2 1 ATOM 438 C CD1 . ILE A 1 58 ? 16.870 8.418 20.603 1.00 29.63 ? 399 ILE A CD1 1 ATOM 439 N N . TYR A 1 59 ? 13.342 7.026 24.812 1.00 30.07 ? 400 TYR A N 1 ATOM 440 C CA . TYR A 1 59 ? 12.285 7.329 25.766 1.00 31.02 ? 400 TYR A CA 1 ATOM 441 C C . TYR A 1 59 ? 12.607 6.695 27.134 1.00 31.38 ? 400 TYR A C 1 ATOM 442 O O . TYR A 1 59 ? 12.615 7.387 28.141 1.00 31.73 ? 400 TYR A O 1 ATOM 443 C CB . TYR A 1 59 ? 10.957 6.836 25.202 1.00 32.09 ? 400 TYR A CB 1 ATOM 444 C CG . TYR A 1 59 ? 9.787 7.047 26.124 1.00 33.42 ? 400 TYR A CG 1 ATOM 445 C CD1 . TYR A 1 59 ? 9.063 8.218 26.092 1.00 35.76 ? 400 TYR A CD1 1 ATOM 446 C CD2 . TYR A 1 59 ? 9.436 6.076 27.052 1.00 35.75 ? 400 TYR A CD2 1 ATOM 447 C CE1 . TYR A 1 59 ? 7.975 8.425 26.960 1.00 36.63 ? 400 TYR A CE1 1 ATOM 448 C CE2 . TYR A 1 59 ? 8.370 6.262 27.918 1.00 39.10 ? 400 TYR A CE2 1 ATOM 449 C CZ . TYR A 1 59 ? 7.639 7.437 27.864 1.00 38.86 ? 400 TYR A CZ 1 ATOM 450 O OH . TYR A 1 59 ? 6.580 7.612 28.731 1.00 41.66 ? 400 TYR A OH 1 ATOM 451 N N . THR A 1 60 ? 12.908 5.400 27.161 1.00 31.69 ? 401 THR A N 1 ATOM 452 C CA . THR A 1 60 ? 13.280 4.704 28.404 1.00 32.51 ? 401 THR A CA 1 ATOM 453 C C . THR A 1 60 ? 14.463 5.389 29.099 1.00 31.73 ? 401 THR A C 1 ATOM 454 O O . THR A 1 60 ? 14.423 5.658 30.300 1.00 31.73 ? 401 THR A O 1 ATOM 455 C CB . THR A 1 60 ? 13.614 3.201 28.115 1.00 32.40 ? 401 THR A CB 1 ATOM 456 O OG1 . THR A 1 60 ? 12.422 2.496 27.780 1.00 35.83 ? 401 THR A OG1 1 ATOM 457 C CG2 . THR A 1 60 ? 14.091 2.464 29.371 1.00 33.16 ? 401 THR A CG2 1 ATOM 458 N N . ALA A 1 61 ? 15.508 5.676 28.329 1.00 31.62 ? 402 ALA A N 1 ATOM 459 C CA . ALA A 1 61 ? 16.731 6.278 28.851 1.00 32.05 ? 402 ALA A CA 1 ATOM 460 C C . ALA A 1 61 ? 16.489 7.726 29.324 1.00 31.69 ? 402 ALA A C 1 ATOM 461 O O . ALA A 1 61 ? 17.024 8.158 30.346 1.00 31.66 ? 402 ALA A O 1 ATOM 462 C CB . ALA A 1 61 ? 17.823 6.242 27.769 1.00 31.48 ? 402 ALA A CB 1 ATOM 463 N N . GLY A 1 62 ? 15.647 8.423 28.576 1.00 31.69 ? 403 GLY A N 1 ATOM 464 C CA . GLY A 1 62 ? 15.291 9.794 28.849 1.00 31.85 ? 403 GLY A CA 1 ATOM 465 C C . GLY A 1 62 ? 14.621 9.933 30.198 1.00 32.96 ? 403 GLY A C 1 ATOM 466 O O . GLY A 1 62 ? 14.937 10.850 30.955 1.00 31.64 ? 403 GLY A O 1 ATOM 467 N N . LYS A 1 63 ? 13.687 9.032 30.486 1.00 33.33 ? 404 LYS A N 1 ATOM 468 C CA . LYS A 1 63 ? 12.985 9.018 31.767 1.00 35.70 ? 404 LYS A CA 1 ATOM 469 C C . LYS A 1 63 ? 13.962 8.735 32.902 1.00 36.22 ? 404 LYS A C 1 ATOM 470 O O . LYS A 1 63 ? 13.675 9.050 34.058 1.00 36.79 ? 404 LYS A O 1 ATOM 471 C CB . LYS A 1 63 ? 11.876 7.961 31.766 1.00 35.81 ? 404 LYS A CB 1 ATOM 472 C CG . LYS A 1 63 ? 10.755 8.228 30.780 1.00 38.44 ? 404 LYS A CG 1 ATOM 473 C CD . LYS A 1 63 ? 9.467 8.572 31.505 1.00 42.61 ? 404 LYS A CD 1 ATOM 474 C CE . LYS A 1 63 ? 8.601 9.524 30.697 1.00 43.23 ? 404 LYS A CE 1 ATOM 475 N NZ . LYS A 1 63 ? 7.167 9.169 30.858 1.00 47.71 ? 404 LYS A NZ 1 ATOM 476 N N . CYS A 1 64 ? 15.104 8.120 32.583 1.00 35.97 ? 405 CYS A N 1 ATOM 477 C CA . CYS A 1 64 ? 16.114 7.845 33.601 1.00 36.84 ? 405 CYS A CA 1 ATOM 478 C C . CYS A 1 64 ? 17.183 8.947 33.679 1.00 35.46 ? 405 CYS A C 1 ATOM 479 O O . CYS A 1 64 ? 18.172 8.829 34.420 1.00 34.39 ? 405 CYS A O 1 ATOM 480 C CB . CYS A 1 64 ? 16.747 6.469 33.366 1.00 38.09 ? 405 CYS A CB 1 ATOM 481 S SG . CYS A 1 64 ? 15.581 5.104 33.528 1.00 46.87 ? 405 CYS A SG 1 ATOM 482 N N . GLY A 1 65 ? 16.991 10.010 32.897 1.00 34.06 ? 406 GLY A N 1 ATOM 483 C CA . GLY A 1 65 ? 17.901 11.136 32.900 1.00 33.65 ? 406 GLY A CA 1 ATOM 484 C C . GLY A 1 65 ? 18.986 11.125 31.825 1.00 31.75 ? 406 GLY A C 1 ATOM 485 O O . GLY A 1 65 ? 19.811 12.026 31.765 1.00 33.04 ? 406 GLY A O 1 ATOM 486 N N . LEU A 1 66 ? 19.013 10.096 30.990 1.00 31.23 ? 407 LEU A N 1 ATOM 487 C CA . LEU A 1 66 ? 19.969 10.098 29.887 1.00 29.73 ? 407 LEU A CA 1 ATOM 488 C C . LEU A 1 66 ? 19.474 11.068 28.796 1.00 29.97 ? 407 LEU A C 1 ATOM 489 O O . LEU A 1 66 ? 18.258 11.273 28.652 1.00 29.34 ? 407 LEU A O 1 ATOM 490 C CB . LEU A 1 66 ? 20.204 8.681 29.348 1.00 29.13 ? 407 LEU A CB 1 ATOM 491 C CG . LEU A 1 66 ? 20.830 7.632 30.290 1.00 28.65 ? 407 LEU A CG 1 ATOM 492 C CD1 . LEU A 1 66 ? 21.467 6.535 29.493 1.00 28.34 ? 407 LEU A CD1 1 ATOM 493 C CD2 . LEU A 1 66 ? 21.869 8.342 31.168 1.00 24.56 ? 407 LEU A CD2 1 ATOM 494 N N . VAL A 1 67 ? 20.417 11.645 28.037 1.00 29.47 ? 408 VAL A N 1 ATOM 495 C CA . VAL A 1 67 ? 20.129 12.653 27.017 1.00 29.70 ? 408 VAL A CA 1 ATOM 496 C C . VAL A 1 67 ? 20.729 12.360 25.626 1.00 30.47 ? 408 VAL A C 1 ATOM 497 O O . VAL A 1 67 ? 21.789 11.760 25.510 1.00 29.25 ? 408 VAL A O 1 ATOM 498 C CB . VAL A 1 67 ? 20.620 14.066 27.441 1.00 29.89 ? 408 VAL A CB 1 ATOM 499 C CG1 . VAL A 1 67 ? 20.061 14.471 28.820 1.00 29.33 ? 408 VAL A CG1 1 ATOM 500 C CG2 . VAL A 1 67 ? 22.162 14.160 27.424 1.00 29.40 ? 408 VAL A CG2 1 ATOM 501 N N . PRO A 1 68 ? 19.972 12.710 24.595 1.00 31.51 ? 409 PRO A N 1 ATOM 502 C CA . PRO A 1 68 ? 20.405 12.686 23.193 1.00 31.76 ? 409 PRO A CA 1 ATOM 503 C C . PRO A 1 68 ? 21.729 13.406 23.037 1.00 32.14 ? 409 PRO A C 1 ATOM 504 O O . PRO A 1 68 ? 21.879 14.459 23.632 1.00 32.51 ? 409 PRO A O 1 ATOM 505 C CB . PRO A 1 68 ? 19.365 13.573 22.513 1.00 32.78 ? 409 PRO A CB 1 ATOM 506 C CG . PRO A 1 68 ? 18.159 13.449 23.333 1.00 33.10 ? 409 PRO A CG 1 ATOM 507 C CD . PRO A 1 68 ? 18.555 13.063 24.725 1.00 32.33 ? 409 PRO A CD 1 ATOM 508 N N . VAL A 1 69 ? 22.635 12.887 22.219 1.00 31.26 ? 410 VAL A N 1 ATOM 509 C CA . VAL A 1 69 ? 23.915 13.532 22.015 1.00 31.57 ? 410 VAL A CA 1 ATOM 510 C C . VAL A 1 69 ? 24.142 13.847 20.523 1.00 31.27 ? 410 VAL A C 1 ATOM 511 O O . VAL A 1 69 ? 24.391 14.981 20.136 1.00 31.71 ? 410 VAL A O 1 ATOM 512 C CB . VAL A 1 69 ? 25.029 12.632 22.586 1.00 31.94 ? 410 VAL A CB 1 ATOM 513 C CG1 . VAL A 1 69 ? 26.369 13.250 22.387 1.00 32.66 ? 410 VAL A CG1 1 ATOM 514 C CG2 . VAL A 1 69 ? 24.768 12.370 24.091 1.00 32.36 ? 410 VAL A CG2 1 ATOM 515 N N . LEU A 1 70 ? 24.047 12.836 19.687 1.00 30.70 ? 411 LEU A N 1 ATOM 516 C CA . LEU A 1 70 ? 24.154 13.014 18.246 1.00 31.05 ? 411 LEU A CA 1 ATOM 517 C C . LEU A 1 70 ? 23.150 12.033 17.662 1.00 30.84 ? 411 LEU A C 1 ATOM 518 O O . LEU A 1 70 ? 22.848 11.015 18.283 1.00 30.29 ? 411 LEU A O 1 ATOM 519 C CB . LEU A 1 70 ? 25.543 12.619 17.737 1.00 30.33 ? 411 LEU A CB 1 ATOM 520 C CG . LEU A 1 70 ? 26.748 13.490 18.132 1.00 31.64 ? 411 LEU A CG 1 ATOM 521 C CD1 . LEU A 1 70 ? 28.057 12.815 17.723 1.00 29.37 ? 411 LEU A CD1 1 ATOM 522 C CD2 . LEU A 1 70 ? 26.623 14.865 17.496 1.00 28.38 ? 411 LEU A CD2 1 ATOM 523 N N . ALA A 1 71 ? 22.671 12.336 16.461 1.00 30.91 ? 412 ALA A N 1 ATOM 524 C CA . ALA A 1 71 ? 21.726 11.482 15.762 1.00 31.93 ? 412 ALA A CA 1 ATOM 525 C C . ALA A 1 71 ? 22.296 10.859 14.496 1.00 32.85 ? 412 ALA A C 1 ATOM 526 O O . ALA A 1 71 ? 23.124 11.460 13.807 1.00 32.75 ? 412 ALA A O 1 ATOM 527 C CB . ALA A 1 71 ? 20.488 12.279 15.403 1.00 31.89 ? 412 ALA A CB 1 ATOM 528 N N . GLU A 1 72 ? 21.848 9.651 14.187 1.00 33.92 ? 413 GLU A N 1 ATOM 529 C CA . GLU A 1 72 ? 22.214 9.029 12.922 1.00 36.20 ? 413 GLU A CA 1 ATOM 530 C C . GLU A 1 72 ? 21.620 9.841 11.768 1.00 37.82 ? 413 GLU A C 1 ATOM 531 O O . GLU A 1 72 ? 20.449 10.241 11.807 1.00 37.17 ? 413 GLU A O 1 ATOM 532 C CB . GLU A 1 72 ? 21.630 7.616 12.811 1.00 35.39 ? 413 GLU A CB 1 ATOM 533 C CG . GLU A 1 72 ? 22.261 6.540 13.655 1.00 35.76 ? 413 GLU A CG 1 ATOM 534 C CD . GLU A 1 72 ? 21.742 5.159 13.266 1.00 33.72 ? 413 GLU A CD 1 ATOM 535 O OE1 . GLU A 1 72 ? 20.721 5.072 12.540 1.00 35.47 ? 413 GLU A OE1 1 ATOM 536 O OE2 . GLU A 1 72 ? 22.342 4.154 13.677 1.00 31.86 ? 413 GLU A OE2 1 ATOM 537 N N . ASN A 1 73 ? 22.412 10.070 10.738 1.00 40.45 ? 414 ASN A N 1 ATOM 538 C CA . ASN A 1 73 ? 21.884 10.738 9.564 1.00 44.91 ? 414 ASN A CA 1 ATOM 539 C C . ASN A 1 73 ? 22.096 9.873 8.339 1.00 47.45 ? 414 ASN A C 1 ATOM 540 O O . ASN A 1 73 ? 23.215 9.502 8.003 1.00 47.42 ? 414 ASN A O 1 ATOM 541 C CB . ASN A 1 73 ? 22.455 12.141 9.374 1.00 44.77 ? 414 ASN A CB 1 ATOM 542 C CG . ASN A 1 73 ? 21.375 13.156 9.077 1.00 46.58 ? 414 ASN A CG 1 ATOM 543 O OD1 . ASN A 1 73 ? 21.519 14.336 9.368 1.00 48.80 ? 414 ASN A OD1 1 ATOM 544 N ND2 . ASN A 1 73 ? 20.264 12.688 8.514 1.00 48.61 ? 414 ASN A ND2 1 ATOM 545 N N . ARG A 1 74 ? 20.980 9.514 7.719 1.00 51.44 ? 415 ARG A N 1 ATOM 546 C CA . ARG A 1 74 ? 20.960 8.642 6.561 1.00 55.32 ? 415 ARG A CA 1 ATOM 547 C C . ARG A 1 74 ? 21.235 9.522 5.367 1.00 57.54 ? 415 ARG A C 1 ATOM 548 O O . ARG A 1 74 ? 21.250 10.749 5.476 1.00 57.58 ? 415 ARG A O 1 ATOM 549 C CB . ARG A 1 74 ? 19.583 7.978 6.458 1.00 55.47 ? 415 ARG A CB 1 ATOM 550 C CG . ARG A 1 74 ? 19.218 7.359 5.124 1.00 58.51 ? 415 ARG A CG 1 ATOM 551 C CD . ARG A 1 74 ? 17.765 6.872 5.064 1.00 62.14 ? 415 ARG A CD 1 ATOM 552 N NE . ARG A 1 74 ? 16.780 7.958 5.069 1.00 64.34 ? 415 ARG A NE 1 ATOM 553 C CZ . ARG A 1 74 ? 16.209 8.462 6.162 1.00 65.75 ? 415 ARG A CZ 1 ATOM 554 N NH1 . ARG A 1 74 ? 16.527 7.997 7.365 1.00 66.73 ? 415 ARG A NH1 1 ATOM 555 N NH2 . ARG A 1 74 ? 15.321 9.441 6.053 1.00 66.58 ? 415 ARG A NH2 1 ATOM 556 N N . LYS A 1 75 ? 21.470 8.908 4.224 1.00 60.49 ? 416 LYS A N 1 ATOM 557 C CA . LYS A 1 75 ? 21.759 9.702 3.058 1.00 63.63 ? 416 LYS A CA 1 ATOM 558 C C . LYS A 1 75 ? 20.475 10.278 2.479 1.00 65.46 ? 416 LYS A C 1 ATOM 559 O O . LYS A 1 75 ? 19.554 9.549 2.125 1.00 65.96 ? 416 LYS A O 1 ATOM 560 C CB . LYS A 1 75 ? 22.563 8.879 2.058 1.00 63.64 ? 416 LYS A CB 1 ATOM 561 C CG . LYS A 1 75 ? 23.893 8.456 2.655 1.00 65.23 ? 416 LYS A CG 1 ATOM 562 C CD . LYS A 1 75 ? 24.385 7.152 2.076 1.00 68.06 ? 416 LYS A CD 1 ATOM 563 C CE . LYS A 1 75 ? 25.093 7.377 0.759 1.00 69.79 ? 416 LYS A CE 1 ATOM 564 N NZ . LYS A 1 75 ? 25.627 6.085 0.223 1.00 71.25 ? 416 LYS A NZ 1 ATOM 565 N N . SER A 1 76 ? 20.397 11.602 2.448 1.00 67.81 ? 417 SER A N 1 ATOM 566 C CA . SER A 1 76 ? 19.252 12.266 1.854 1.00 70.20 ? 417 SER A CA 1 ATOM 567 C C . SER A 1 76 ? 19.728 13.515 1.136 1.00 71.67 ? 417 SER A C 1 ATOM 568 O O . SER A 1 76 ? 20.443 14.347 1.703 1.00 71.94 ? 417 SER A O 1 ATOM 569 C CB . SER A 1 76 ? 18.196 12.612 2.899 1.00 70.18 ? 417 SER A CB 1 ATOM 570 O OG . SER A 1 76 ? 17.019 13.100 2.276 1.00 71.25 ? 417 SER A OG 1 ATOM 571 N N . SER A 1 77 ? 19.319 13.641 -0.118 1.00 73.28 ? 418 SER A N 1 ATOM 572 C CA . SER A 1 77 ? 19.749 14.753 -0.954 1.00 74.93 ? 418 SER A CA 1 ATOM 573 C C . SER A 1 77 ? 19.291 16.146 -0.492 1.00 75.82 ? 418 SER A C 1 ATOM 574 O O . SER A 1 77 ? 19.958 17.133 -0.800 1.00 76.16 ? 418 SER A O 1 ATOM 575 C CB . SER A 1 77 ? 19.346 14.502 -2.413 1.00 74.94 ? 418 SER A CB 1 ATOM 576 O OG . SER A 1 77 ? 19.815 13.236 -2.856 1.00 75.54 ? 418 SER A OG 1 ATOM 577 N N . LYS A 1 78 ? 18.178 16.235 0.239 1.00 76.94 ? 419 LYS A N 1 ATOM 578 C CA . LYS A 1 78 ? 17.674 17.541 0.708 1.00 77.94 ? 419 LYS A CA 1 ATOM 579 C C . LYS A 1 78 ? 18.657 18.262 1.654 1.00 78.45 ? 419 LYS A C 1 ATOM 580 O O . LYS A 1 78 ? 19.479 17.604 2.302 1.00 78.67 ? 419 LYS A O 1 ATOM 581 C CB . LYS A 1 78 ? 16.284 17.413 1.345 1.00 77.98 ? 419 LYS A CB 1 ATOM 582 C CG . LYS A 1 78 ? 15.123 17.321 0.345 1.00 78.61 ? 419 LYS A CG 1 ATOM 583 C CD . LYS A 1 78 ? 14.714 18.697 -0.188 1.00 79.40 ? 419 LYS A CD 1 ATOM 584 C CE . LYS A 1 78 ? 13.301 18.691 -0.778 1.00 79.91 ? 419 LYS A CE 1 ATOM 585 N NZ . LYS A 1 78 ? 13.132 17.689 -1.873 1.00 80.28 ? 419 LYS A NZ 1 ATOM 586 N N . HIS A 1 79 ? 18.536 19.596 1.747 1.00 78.87 ? 420 HIS A N 1 ATOM 587 C CA . HIS A 1 79 ? 19.507 20.451 2.449 1.00 79.20 ? 420 HIS A CA 1 ATOM 588 C C . HIS A 1 79 ? 20.833 20.140 1.751 1.00 78.93 ? 420 HIS A C 1 ATOM 589 O O . HIS A 1 79 ? 21.691 19.452 2.298 1.00 79.05 ? 420 HIS A O 1 ATOM 590 C CB . HIS A 1 79 ? 19.575 20.152 3.955 1.00 79.47 ? 420 HIS A CB 1 ATOM 591 C CG . HIS A 1 79 ? 18.234 19.978 4.609 1.00 80.82 ? 420 HIS A CG 1 ATOM 592 N ND1 . HIS A 1 79 ? 17.956 18.933 5.466 1.00 82.04 ? 420 HIS A ND1 1 ATOM 593 C CD2 . HIS A 1 79 ? 17.099 20.715 4.539 1.00 81.74 ? 420 HIS A CD2 1 ATOM 594 C CE1 . HIS A 1 79 ? 16.709 19.030 5.891 1.00 82.47 ? 420 HIS A CE1 1 ATOM 595 N NE2 . HIS A 1 79 ? 16.166 20.104 5.343 1.00 82.60 ? 420 HIS A NE2 1 ATOM 596 N N . SER A 1 80 ? 20.994 20.690 0.549 1.00 78.54 ? 421 SER A N 1 ATOM 597 C CA . SER A 1 80 ? 22.007 20.233 -0.421 1.00 78.09 ? 421 SER A CA 1 ATOM 598 C C . SER A 1 80 ? 23.533 20.421 -0.274 1.00 77.44 ? 421 SER A C 1 ATOM 599 O O . SER A 1 80 ? 24.293 19.536 -0.667 1.00 77.54 ? 421 SER A O 1 ATOM 600 C CB . SER A 1 80 ? 21.589 20.662 -1.835 1.00 78.18 ? 421 SER A CB 1 ATOM 601 O OG . SER A 1 80 ? 22.459 20.104 -2.810 1.00 78.74 ? 421 SER A OG 1 ATOM 602 N N . SER A 1 81 ? 23.997 21.564 0.215 1.00 76.56 ? 422 SER A N 1 ATOM 603 C CA . SER A 1 81 ? 25.445 21.786 0.295 1.00 75.54 ? 422 SER A CA 1 ATOM 604 C C . SER A 1 81 ? 25.933 21.703 1.730 1.00 74.52 ? 422 SER A C 1 ATOM 605 O O . SER A 1 81 ? 27.135 21.624 1.989 1.00 74.54 ? 422 SER A O 1 ATOM 606 C CB . SER A 1 81 ? 25.845 23.133 -0.331 1.00 75.75 ? 422 SER A CB 1 ATOM 607 O OG . SER A 1 81 ? 27.144 23.059 -0.907 1.00 76.11 ? 422 SER A OG 1 ATOM 608 N N . LEU A 1 82 ? 24.989 21.740 2.661 1.00 73.18 ? 423 LEU A N 1 ATOM 609 C CA . LEU A 1 82 ? 25.316 21.639 4.069 1.00 71.72 ? 423 LEU A CA 1 ATOM 610 C C . LEU A 1 82 ? 25.866 20.233 4.282 1.00 70.42 ? 423 LEU A C 1 ATOM 611 O O . LEU A 1 82 ? 25.333 19.264 3.742 1.00 70.20 ? 423 LEU A O 1 ATOM 612 C CB . LEU A 1 82 ? 24.070 21.886 4.922 1.00 71.81 ? 423 LEU A CB 1 ATOM 613 C CG . LEU A 1 82 ? 24.237 22.534 6.300 1.00 72.23 ? 423 LEU A CG 1 ATOM 614 C CD1 . LEU A 1 82 ? 25.172 23.744 6.249 1.00 72.26 ? 423 LEU A CD1 1 ATOM 615 C CD2 . LEU A 1 82 ? 22.879 22.932 6.867 1.00 71.70 ? 423 LEU A CD2 1 ATOM 616 N N . ASP A 1 83 ? 26.957 20.128 5.033 1.00 68.71 ? 424 ASP A N 1 ATOM 617 C CA . ASP A 1 83 ? 27.551 18.824 5.292 1.00 66.85 ? 424 ASP A CA 1 ATOM 618 C C . ASP A 1 83 ? 26.675 17.980 6.218 1.00 64.96 ? 424 ASP A C 1 ATOM 619 O O . ASP A 1 83 ? 25.910 18.510 7.029 1.00 64.35 ? 424 ASP A O 1 ATOM 620 C CB . ASP A 1 83 ? 28.953 18.965 5.869 1.00 67.38 ? 424 ASP A CB 1 ATOM 621 C CG . ASP A 1 83 ? 29.703 17.651 5.873 1.00 68.85 ? 424 ASP A CG 1 ATOM 622 O OD1 . ASP A 1 83 ? 30.017 17.137 4.774 1.00 70.59 ? 424 ASP A OD1 1 ATOM 623 O OD2 . ASP A 1 83 ? 30.002 17.045 6.923 1.00 70.51 ? 424 ASP A OD2 1 ATOM 624 N N . CYS A 1 84 ? 26.799 16.664 6.085 1.00 62.88 ? 425 CYS A N 1 ATOM 625 C CA . CYS A 1 84 ? 25.990 15.717 6.853 1.00 60.62 ? 425 CYS A CA 1 ATOM 626 C C . CYS A 1 84 ? 25.970 15.988 8.355 1.00 60.17 ? 425 CYS A C 1 ATOM 627 O O . CYS A 1 84 ? 24.913 15.964 8.983 1.00 59.92 ? 425 CYS A O 1 ATOM 628 C CB . CYS A 1 84 ? 26.452 14.280 6.586 1.00 60.05 ? 425 CYS A CB 1 ATOM 629 S SG . CYS A 1 84 ? 25.553 13.023 7.536 1.00 56.29 ? 425 CYS A SG 1 ATOM 630 N N . VAL A 1 85 ? 27.137 16.255 8.925 1.00 59.48 ? 426 VAL A N 1 ATOM 631 C CA . VAL A 1 85 ? 27.238 16.469 10.361 1.00 59.05 ? 426 VAL A CA 1 ATOM 632 C C . VAL A 1 85 ? 26.397 17.641 10.876 1.00 58.98 ? 426 VAL A C 1 ATOM 633 O O . VAL A 1 85 ? 26.093 17.714 12.067 1.00 58.25 ? 426 VAL A O 1 ATOM 634 C CB . VAL A 1 85 ? 28.707 16.615 10.789 1.00 58.94 ? 426 VAL A CB 1 ATOM 635 C CG1 . VAL A 1 85 ? 28.810 16.914 12.269 1.00 58.98 ? 426 VAL A CG1 1 ATOM 636 C CG2 . VAL A 1 85 ? 29.463 15.346 10.461 1.00 58.61 ? 426 VAL A CG2 1 ATOM 637 N N . LEU A 1 86 ? 26.010 18.542 9.976 1.00 59.11 ? 427 LEU A N 1 ATOM 638 C CA . LEU A 1 86 ? 25.244 19.730 10.367 1.00 59.61 ? 427 LEU A CA 1 ATOM 639 C C . LEU A 1 86 ? 23.842 19.768 9.769 1.00 59.60 ? 427 LEU A C 1 ATOM 640 O O . LEU A 1 86 ? 23.067 20.677 10.049 1.00 60.00 ? 427 LEU A O 1 ATOM 641 C CB . LEU A 1 86 ? 25.985 21.018 9.978 1.00 59.64 ? 427 LEU A CB 1 ATOM 642 C CG . LEU A 1 86 ? 27.517 21.083 10.038 1.00 59.98 ? 427 LEU A CG 1 ATOM 643 C CD1 . LEU A 1 86 ? 28.010 22.347 9.328 1.00 59.87 ? 427 LEU A CD1 1 ATOM 644 C CD2 . LEU A 1 86 ? 28.043 21.029 11.463 1.00 60.99 ? 427 LEU A CD2 1 ATOM 645 N N . ARG A 1 87 ? 23.525 18.794 8.929 1.00 59.67 ? 428 ARG A N 1 ATOM 646 C CA . ARG A 1 87 ? 22.206 18.715 8.319 1.00 59.75 ? 428 ARG A CA 1 ATOM 647 C C . ARG A 1 87 ? 21.186 18.164 9.329 1.00 59.31 ? 428 ARG A C 1 ATOM 648 O O . ARG A 1 87 ? 21.496 17.252 10.095 1.00 59.09 ? 428 ARG A O 1 ATOM 649 C CB . ARG A 1 87 ? 22.285 17.819 7.085 1.00 60.13 ? 428 ARG A CB 1 ATOM 650 C CG . ARG A 1 87 ? 20.953 17.505 6.413 1.00 61.75 ? 428 ARG A CG 1 ATOM 651 C CD . ARG A 1 87 ? 20.997 16.228 5.602 1.00 63.85 ? 428 ARG A CD 1 ATOM 652 N NE . ARG A 1 87 ? 22.335 16.022 5.061 1.00 65.65 ? 428 ARG A NE 1 ATOM 653 C CZ . ARG A 1 87 ? 22.823 14.850 4.681 1.00 67.09 ? 428 ARG A CZ 1 ATOM 654 N NH1 . ARG A 1 87 ? 22.081 13.753 4.775 1.00 67.54 ? 428 ARG A NH1 1 ATOM 655 N NH2 . ARG A 1 87 ? 24.061 14.773 4.203 1.00 68.09 ? 428 ARG A NH2 1 ATOM 656 N N . PRO A 1 88 ? 19.979 18.724 9.349 1.00 58.91 ? 429 PRO A N 1 ATOM 657 C CA . PRO A 1 88 ? 18.944 18.260 10.281 1.00 58.41 ? 429 PRO A CA 1 ATOM 658 C C . PRO A 1 88 ? 18.421 16.898 9.848 1.00 57.68 ? 429 PRO A C 1 ATOM 659 O O . PRO A 1 88 ? 18.339 16.638 8.648 1.00 57.50 ? 429 PRO A O 1 ATOM 660 C CB . PRO A 1 88 ? 17.845 19.321 10.149 1.00 58.47 ? 429 PRO A CB 1 ATOM 661 C CG . PRO A 1 88 ? 18.499 20.476 9.416 1.00 58.96 ? 429 PRO A CG 1 ATOM 662 C CD . PRO A 1 88 ? 19.506 19.837 8.504 1.00 58.98 ? 429 PRO A CD 1 ATOM 663 N N . THR A 1 89 ? 18.078 16.043 10.806 1.00 57.02 ? 430 THR A N 1 ATOM 664 C CA . THR A 1 89 ? 17.586 14.712 10.474 1.00 56.03 ? 430 THR A CA 1 ATOM 665 C C . THR A 1 89 ? 16.115 14.740 10.075 1.00 55.03 ? 430 THR A C 1 ATOM 666 O O . THR A 1 89 ? 15.332 15.539 10.592 1.00 54.93 ? 430 THR A O 1 ATOM 667 C CB . THR A 1 89 ? 17.805 13.735 11.639 1.00 56.49 ? 430 THR A CB 1 ATOM 668 O OG1 . THR A 1 89 ? 17.095 14.192 12.796 1.00 57.47 ? 430 THR A OG1 1 ATOM 669 C CG2 . THR A 1 89 ? 19.274 13.731 12.075 1.00 55.97 ? 430 THR A CG2 1 ATOM 670 N N . GLU A 1 90 ? 15.744 13.852 9.161 1.00 53.62 ? 431 GLU A N 1 ATOM 671 C CA . GLU A 1 90 ? 14.383 13.822 8.638 1.00 52.41 ? 431 GLU A CA 1 ATOM 672 C C . GLU A 1 90 ? 13.506 12.721 9.249 1.00 50.35 ? 431 GLU A C 1 ATOM 673 O O . GLU A 1 90 ? 12.273 12.823 9.258 1.00 51.48 ? 431 GLU A O 1 ATOM 674 C CB . GLU A 1 90 ? 14.426 13.754 7.102 1.00 53.00 ? 431 GLU A CB 1 ATOM 675 C CG . GLU A 1 90 ? 15.193 14.940 6.505 1.00 55.65 ? 431 GLU A CG 1 ATOM 676 C CD . GLU A 1 90 ? 15.614 14.762 5.051 1.00 58.45 ? 431 GLU A CD 1 ATOM 677 O OE1 . GLU A 1 90 ? 14.786 14.300 4.227 1.00 60.54 ? 431 GLU A OE1 1 ATOM 678 O OE2 . GLU A 1 90 ? 16.780 15.101 4.728 1.00 59.14 ? 431 GLU A OE2 1 ATOM 679 N N . GLY A 1 91 ? 14.129 11.689 9.794 1.00 47.23 ? 432 GLY A N 1 ATOM 680 C CA . GLY A 1 91 ? 13.373 10.612 10.403 1.00 43.04 ? 432 GLY A CA 1 ATOM 681 C C . GLY A 1 91 ? 13.223 9.472 9.417 1.00 40.48 ? 432 GLY A C 1 ATOM 682 O O . GLY A 1 91 ? 13.534 9.608 8.229 1.00 40.66 ? 432 GLY A O 1 ATOM 683 N N . TYR A 1 92 ? 12.763 8.331 9.896 1.00 36.92 ? 433 TYR A N 1 ATOM 684 C CA . TYR A 1 92 ? 12.573 7.224 8.998 1.00 33.18 ? 433 TYR A CA 1 ATOM 685 C C . TYR A 1 92 ? 11.122 6.821 8.980 1.00 32.34 ? 433 TYR A C 1 ATOM 686 O O . TYR A 1 92 ? 10.363 7.174 9.873 1.00 31.75 ? 433 TYR A O 1 ATOM 687 C CB . TYR A 1 92 ? 13.495 6.057 9.313 1.00 32.56 ? 433 TYR A CB 1 ATOM 688 C CG . TYR A 1 92 ? 13.462 5.525 10.726 1.00 28.43 ? 433 TYR A CG 1 ATOM 689 C CD1 . TYR A 1 92 ? 12.708 4.398 11.041 1.00 26.09 ? 433 TYR A CD1 1 ATOM 690 C CD2 . TYR A 1 92 ? 14.262 6.083 11.716 1.00 25.79 ? 433 TYR A CD2 1 ATOM 691 C CE1 . TYR A 1 92 ? 12.696 3.884 12.319 1.00 26.28 ? 433 TYR A CE1 1 ATOM 692 C CE2 . TYR A 1 92 ? 14.266 5.562 13.017 1.00 27.74 ? 433 TYR A CE2 1 ATOM 693 C CZ . TYR A 1 92 ? 13.457 4.468 13.313 1.00 24.95 ? 433 TYR A CZ 1 ATOM 694 O OH . TYR A 1 92 ? 13.450 3.910 14.580 1.00 26.25 ? 433 TYR A OH 1 ATOM 695 N N . LEU A 1 93 ? 10.749 6.087 7.944 1.00 31.58 ? 434 LEU A N 1 ATOM 696 C CA . LEU A 1 93 ? 9.379 5.653 7.774 1.00 31.33 ? 434 LEU A CA 1 ATOM 697 C C . LEU A 1 93 ? 9.076 4.277 8.332 1.00 31.03 ? 434 LEU A C 1 ATOM 698 O O . LEU A 1 93 ? 9.546 3.275 7.807 1.00 31.83 ? 434 LEU A O 1 ATOM 699 C CB . LEU A 1 93 ? 9.029 5.656 6.283 1.00 32.03 ? 434 LEU A CB 1 ATOM 700 C CG . LEU A 1 93 ? 9.138 7.011 5.581 1.00 33.40 ? 434 LEU A CG 1 ATOM 701 C CD1 . LEU A 1 93 ? 8.577 6.898 4.161 1.00 34.66 ? 434 LEU A CD1 1 ATOM 702 C CD2 . LEU A 1 93 ? 8.384 8.066 6.348 1.00 36.06 ? 434 LEU A CD2 1 ATOM 703 N N . ALA A 1 94 ? 8.229 4.219 9.353 1.00 30.21 ? 435 ALA A N 1 ATOM 704 C CA . ALA A 1 94 ? 7.781 2.954 9.890 1.00 29.38 ? 435 ALA A CA 1 ATOM 705 C C . ALA A 1 94 ? 6.747 2.351 8.957 1.00 29.56 ? 435 ALA A C 1 ATOM 706 O O . ALA A 1 94 ? 5.768 3.011 8.606 1.00 29.98 ? 435 ALA A O 1 ATOM 707 C CB . ALA A 1 94 ? 7.183 3.156 11.284 1.00 29.05 ? 435 ALA A CB 1 ATOM 708 N N . VAL A 1 95 ? 6.954 1.109 8.541 1.00 29.18 ? 436 VAL A N 1 ATOM 709 C CA . VAL A 1 95 ? 6.003 0.477 7.647 1.00 29.39 ? 436 VAL A CA 1 ATOM 710 C C . VAL A 1 95 ? 5.610 -0.909 8.102 1.00 30.37 ? 436 VAL A C 1 ATOM 711 O O . VAL A 1 95 ? 6.253 -1.514 8.971 1.00 30.63 ? 436 VAL A O 1 ATOM 712 C CB . VAL A 1 95 ? 6.559 0.338 6.186 1.00 29.83 ? 436 VAL A CB 1 ATOM 713 C CG1 . VAL A 1 95 ? 6.883 1.702 5.570 1.00 28.75 ? 436 VAL A CG1 1 ATOM 714 C CG2 . VAL A 1 95 ? 7.759 -0.617 6.125 1.00 28.61 ? 436 VAL A CG2 1 ATOM 715 N N . ALA A 1 96 ? 4.546 -1.425 7.486 1.00 30.82 ? 437 ALA A N 1 ATOM 716 C CA . ALA A 1 96 ? 4.138 -2.800 7.681 1.00 31.09 ? 437 ALA A CA 1 ATOM 717 C C . ALA A 1 96 ? 4.267 -3.475 6.314 1.00 31.32 ? 437 ALA A C 1 ATOM 718 O O . ALA A 1 96 ? 3.698 -3.004 5.321 1.00 31.37 ? 437 ALA A O 1 ATOM 719 C CB . ALA A 1 96 ? 2.705 -2.877 8.242 1.00 30.94 ? 437 ALA A CB 1 ATOM 720 N N . VAL A 1 97 ? 5.074 -4.533 6.253 1.00 31.39 ? 438 VAL A N 1 ATOM 721 C CA . VAL A 1 97 ? 5.325 -5.217 5.012 1.00 31.63 ? 438 VAL A CA 1 ATOM 722 C C . VAL A 1 97 ? 4.774 -6.628 5.003 1.00 31.90 ? 438 VAL A C 1 ATOM 723 O O . VAL A 1 97 ? 4.810 -7.330 6.006 1.00 31.85 ? 438 VAL A O 1 ATOM 724 C CB . VAL A 1 97 ? 6.835 -5.351 4.742 1.00 32.05 ? 438 VAL A CB 1 ATOM 725 C CG1 . VAL A 1 97 ? 7.058 -5.617 3.261 1.00 29.83 ? 438 VAL A CG1 1 ATOM 726 C CG2 . VAL A 1 97 ? 7.586 -4.124 5.236 1.00 32.19 ? 438 VAL A CG2 1 ATOM 727 N N . VAL A 1 98 ? 4.300 -7.049 3.839 1.00 32.89 ? 439 VAL A N 1 ATOM 728 C CA . VAL A 1 98 ? 3.752 -8.380 3.658 1.00 33.18 ? 439 VAL A CA 1 ATOM 729 C C . VAL A 1 98 ? 4.209 -8.910 2.301 1.00 34.55 ? 439 VAL A C 1 ATOM 730 O O . VAL A 1 98 ? 4.819 -8.186 1.521 1.00 34.86 ? 439 VAL A O 1 ATOM 731 C CB . VAL A 1 98 ? 2.230 -8.344 3.725 1.00 33.13 ? 439 VAL A CB 1 ATOM 732 C CG1 . VAL A 1 98 ? 1.773 -7.870 5.086 1.00 32.18 ? 439 VAL A CG1 1 ATOM 733 C CG2 . VAL A 1 98 ? 1.686 -7.372 2.667 1.00 32.67 ? 439 VAL A CG2 1 ATOM 734 N N . LYS A 1 99 ? 3.952 -10.186 2.028 1.00 35.56 ? 440 LYS A N 1 ATOM 735 C CA . LYS A 1 99 ? 4.311 -10.750 0.732 1.00 37.56 ? 440 LYS A CA 1 ATOM 736 C C . LYS A 1 99 ? 3.212 -10.417 -0.247 1.00 38.66 ? 440 LYS A C 1 ATOM 737 O O . LYS A 1 99 ? 2.043 -10.462 0.113 1.00 38.17 ? 440 LYS A O 1 ATOM 738 C CB . LYS A 1 99 ? 4.455 -12.263 0.823 1.00 37.38 ? 440 LYS A CB 1 ATOM 739 C CG . LYS A 1 99 ? 5.686 -12.704 1.576 1.00 37.49 ? 440 LYS A CG 1 ATOM 740 C CD . LYS A 1 99 ? 6.941 -12.475 0.750 1.00 38.02 ? 440 LYS A CD 1 ATOM 741 C CE . LYS A 1 99 ? 8.129 -13.175 1.389 1.00 37.92 ? 440 LYS A CE 1 ATOM 742 N NZ . LYS A 1 99 ? 8.039 -14.691 1.308 1.00 37.49 ? 440 LYS A NZ 1 ATOM 743 N N . LYS A 1 100 ? 3.574 -10.069 -1.477 1.00 40.39 ? 441 LYS A N 1 ATOM 744 C CA . LYS A 1 100 ? 2.556 -9.782 -2.493 1.00 42.15 ? 441 LYS A CA 1 ATOM 745 C C . LYS A 1 100 ? 1.623 -10.979 -2.649 1.00 42.17 ? 441 LYS A C 1 ATOM 746 O O . LYS A 1 100 ? 0.406 -10.831 -2.733 1.00 42.14 ? 441 LYS A O 1 ATOM 747 C CB . LYS A 1 100 ? 3.193 -9.463 -3.841 1.00 42.49 ? 441 LYS A CB 1 ATOM 748 C CG . LYS A 1 100 ? 2.193 -8.900 -4.843 1.00 45.90 ? 441 LYS A CG 1 ATOM 749 C CD . LYS A 1 100 ? 2.339 -9.507 -6.233 1.00 48.14 ? 441 LYS A CD 1 ATOM 750 C CE . LYS A 1 100 ? 3.725 -9.307 -6.818 1.00 51.05 ? 441 LYS A CE 1 ATOM 751 N NZ . LYS A 1 100 ? 3.712 -9.333 -8.316 1.00 53.40 ? 441 LYS A NZ 1 ATOM 752 N N . ALA A 1 101 ? 2.205 -12.168 -2.650 1.00 42.87 ? 442 ALA A N 1 ATOM 753 C CA . ALA A 1 101 ? 1.439 -13.407 -2.807 1.00 43.58 ? 442 ALA A CA 1 ATOM 754 C C . ALA A 1 101 ? 0.432 -13.673 -1.680 1.00 44.28 ? 442 ALA A C 1 ATOM 755 O O . ALA A 1 101 ? -0.482 -14.479 -1.838 1.00 43.99 ? 442 ALA A O 1 ATOM 756 C CB . ALA A 1 101 ? 2.372 -14.574 -2.941 1.00 43.52 ? 442 ALA A CB 1 ATOM 757 N N . ASN A 1 102 ? 0.624 -13.032 -0.534 1.00 44.96 ? 443 ASN A N 1 ATOM 758 C CA . ASN A 1 102 ? -0.330 -13.154 0.552 1.00 46.18 ? 443 ASN A CA 1 ATOM 759 C C . ASN A 1 102 ? -1.424 -12.138 0.226 1.00 46.96 ? 443 ASN A C 1 ATOM 760 O O . ASN A 1 102 ? -1.559 -11.107 0.890 1.00 46.71 ? 443 ASN A O 1 ATOM 761 C CB . ASN A 1 102 ? 0.339 -12.829 1.888 1.00 46.45 ? 443 ASN A CB 1 ATOM 762 C CG . ASN A 1 102 ? -0.357 -13.482 3.071 1.00 47.18 ? 443 ASN A CG 1 ATOM 763 O OD1 . ASN A 1 102 ? -1.525 -13.876 2.987 1.00 48.74 ? 443 ASN A OD1 1 ATOM 764 N ND2 . ASN A 1 102 ? 0.358 -13.588 4.193 1.00 46.80 ? 443 ASN A ND2 1 ATOM 765 N N . GLU A 1 103 ? -2.178 -12.428 -0.830 1.00 47.40 ? 444 GLU A N 1 ATOM 766 C CA . GLU A 1 103 ? -3.206 -11.518 -1.318 1.00 48.37 ? 444 GLU A CA 1 ATOM 767 C C . GLU A 1 103 ? -4.329 -11.390 -0.313 1.00 48.55 ? 444 GLU A C 1 ATOM 768 O O . GLU A 1 103 ? -4.647 -12.340 0.399 1.00 49.11 ? 444 GLU A O 1 ATOM 769 C CB . GLU A 1 103 ? -3.764 -12.029 -2.652 1.00 48.85 ? 444 GLU A CB 1 ATOM 770 C CG . GLU A 1 103 ? -2.737 -12.094 -3.772 1.00 49.17 ? 444 GLU A CG 1 ATOM 771 C CD . GLU A 1 103 ? -3.106 -13.097 -4.854 1.00 50.88 ? 444 GLU A CD 1 ATOM 772 O OE1 . GLU A 1 103 ? -2.181 -13.619 -5.530 1.00 49.47 ? 444 GLU A OE1 1 ATOM 773 O OE2 . GLU A 1 103 ? -4.315 -13.382 -5.018 1.00 50.85 ? 444 GLU A OE2 1 ATOM 774 N N . GLY A 1 104 ? -4.926 -10.213 -0.237 1.00 48.70 ? 445 GLY A N 1 ATOM 775 C CA . GLY A 1 104 ? -6.042 -10.018 0.669 1.00 49.06 ? 445 GLY A CA 1 ATOM 776 C C . GLY A 1 104 ? -5.664 -9.769 2.118 1.00 48.97 ? 445 GLY A C 1 ATOM 777 O O . GLY A 1 104 ? -6.525 -9.716 2.987 1.00 49.43 ? 445 GLY A O 1 ATOM 778 N N . LEU A 1 105 ? -4.374 -9.651 2.401 1.00 48.10 ? 446 LEU A N 1 ATOM 779 C CA . LEU A 1 105 ? -3.955 -9.268 3.742 1.00 47.11 ? 446 LEU A CA 1 ATOM 780 C C . LEU A 1 105 ? -3.843 -7.739 3.783 1.00 46.54 ? 446 LEU A C 1 ATOM 781 O O . LEU A 1 105 ? -3.118 -7.161 2.994 1.00 46.71 ? 446 LEU A O 1 ATOM 782 C CB . LEU A 1 105 ? -2.608 -9.904 4.086 1.00 47.14 ? 446 LEU A CB 1 ATOM 783 C CG . LEU A 1 105 ? -2.066 -9.621 5.486 1.00 46.89 ? 446 LEU A CG 1 ATOM 784 C CD1 . LEU A 1 105 ? -3.146 -9.814 6.535 1.00 48.62 ? 446 LEU A CD1 1 ATOM 785 C CD2 . LEU A 1 105 ? -0.854 -10.503 5.793 1.00 47.82 ? 446 LEU A CD2 1 ATOM 786 N N . THR A 1 106 ? -4.573 -7.081 4.673 1.00 45.69 ? 447 THR A N 1 ATOM 787 C CA . THR A 1 106 ? -4.482 -5.622 4.771 1.00 45.63 ? 447 THR A CA 1 ATOM 788 C C . THR A 1 106 ? -4.380 -5.242 6.221 1.00 45.44 ? 447 THR A C 1 ATOM 789 O O . THR A 1 106 ? -4.456 -6.094 7.092 1.00 44.95 ? 447 THR A O 1 ATOM 790 C CB . THR A 1 106 ? -5.745 -4.906 4.222 1.00 45.68 ? 447 THR A CB 1 ATOM 791 O OG1 . THR A 1 106 ? -6.787 -4.959 5.208 1.00 44.39 ? 447 THR A OG1 1 ATOM 792 C CG2 . THR A 1 106 ? -6.327 -5.620 3.008 1.00 46.19 ? 447 THR A CG2 1 ATOM 793 N N . TRP A 1 107 ? -4.248 -3.945 6.470 1.00 46.04 ? 448 TRP A N 1 ATOM 794 C CA . TRP A 1 107 ? -4.209 -3.440 7.827 1.00 46.48 ? 448 TRP A CA 1 ATOM 795 C C . TRP A 1 107 ? -5.437 -3.909 8.600 1.00 47.15 ? 448 TRP A C 1 ATOM 796 O O . TRP A 1 107 ? -5.357 -4.144 9.799 1.00 47.93 ? 448 TRP A O 1 ATOM 797 C CB . TRP A 1 107 ? -4.133 -1.910 7.851 1.00 46.15 ? 448 TRP A CB 1 ATOM 798 C CG . TRP A 1 107 ? -4.123 -1.389 9.253 1.00 46.69 ? 448 TRP A CG 1 ATOM 799 C CD1 . TRP A 1 107 ? -5.173 -0.851 9.945 1.00 47.74 ? 448 TRP A CD1 1 ATOM 800 C CD2 . TRP A 1 107 ? -3.016 -1.406 10.164 1.00 47.07 ? 448 TRP A CD2 1 ATOM 801 N NE1 . TRP A 1 107 ? -4.780 -0.523 11.222 1.00 47.44 ? 448 TRP A NE1 1 ATOM 802 C CE2 . TRP A 1 107 ? -3.459 -0.851 11.379 1.00 46.48 ? 448 TRP A CE2 1 ATOM 803 C CE3 . TRP A 1 107 ? -1.684 -1.824 10.067 1.00 46.21 ? 448 TRP A CE3 1 ATOM 804 C CZ2 . TRP A 1 107 ? -2.625 -0.700 12.478 1.00 46.44 ? 448 TRP A CZ2 1 ATOM 805 C CZ3 . TRP A 1 107 ? -0.867 -1.683 11.157 1.00 45.34 ? 448 TRP A CZ3 1 ATOM 806 C CH2 . TRP A 1 107 ? -1.336 -1.126 12.347 1.00 46.22 ? 448 TRP A CH2 1 ATOM 807 N N . ASN A 1 108 ? -6.566 -4.063 7.905 1.00 47.74 ? 449 ASN A N 1 ATOM 808 C CA . ASN A 1 108 ? -7.829 -4.470 8.534 1.00 47.80 ? 449 ASN A CA 1 ATOM 809 C C . ASN A 1 108 ? -8.037 -5.962 8.715 1.00 47.54 ? 449 ASN A C 1 ATOM 810 O O . ASN A 1 108 ? -9.085 -6.386 9.214 1.00 48.78 ? 449 ASN A O 1 ATOM 811 C CB . ASN A 1 108 ? -9.039 -3.915 7.758 1.00 48.36 ? 449 ASN A CB 1 ATOM 812 C CG . ASN A 1 108 ? -8.979 -2.425 7.570 1.00 48.19 ? 449 ASN A CG 1 ATOM 813 O OD1 . ASN A 1 108 ? -8.687 -1.684 8.504 1.00 49.20 ? 449 ASN A OD1 1 ATOM 814 N ND2 . ASN A 1 108 ? -9.245 -1.971 6.349 1.00 50.62 ? 449 ASN A ND2 1 ATOM 815 N N . SER A 1 109 ? -7.084 -6.773 8.292 1.00 46.85 ? 450 SER A N 1 ATOM 816 C CA . SER A 1 109 ? -7.223 -8.209 8.474 1.00 46.16 ? 450 SER A CA 1 ATOM 817 C C . SER A 1 109 ? -6.000 -8.829 9.134 1.00 45.85 ? 450 SER A C 1 ATOM 818 O O . SER A 1 109 ? -5.689 -9.999 8.898 1.00 45.54 ? 450 SER A O 1 ATOM 819 C CB . SER A 1 109 ? -7.569 -8.920 7.154 1.00 46.28 ? 450 SER A CB 1 ATOM 820 O OG . SER A 1 109 ? -6.629 -8.655 6.124 1.00 46.49 ? 450 SER A OG 1 ATOM 821 N N . LEU A 1 110 ? -5.326 -8.043 9.977 1.00 45.35 ? 451 LEU A N 1 ATOM 822 C CA . LEU A 1 110 ? -4.125 -8.501 10.690 1.00 45.00 ? 451 LEU A CA 1 ATOM 823 C C . LEU A 1 110 ? -4.423 -9.365 11.915 1.00 44.79 ? 451 LEU A C 1 ATOM 824 O O . LEU A 1 110 ? -3.586 -10.161 12.330 1.00 44.77 ? 451 LEU A O 1 ATOM 825 C CB . LEU A 1 110 ? -3.263 -7.307 11.131 1.00 44.55 ? 451 LEU A CB 1 ATOM 826 C CG . LEU A 1 110 ? -2.464 -6.553 10.069 1.00 44.12 ? 451 LEU A CG 1 ATOM 827 C CD1 . LEU A 1 110 ? -1.767 -5.339 10.701 1.00 43.69 ? 451 LEU A CD1 1 ATOM 828 C CD2 . LEU A 1 110 ? -1.456 -7.459 9.369 1.00 43.81 ? 451 LEU A CD2 1 ATOM 829 N N . LYS A 1 111 ? -5.598 -9.205 12.511 1.00 44.26 ? 452 LYS A N 1 ATOM 830 C CA . LYS A 1 111 ? -5.929 -10.000 13.694 1.00 44.08 ? 452 LYS A CA 1 ATOM 831 C C . LYS A 1 111 ? -5.766 -11.505 13.435 1.00 43.38 ? 452 LYS A C 1 ATOM 832 O O . LYS A 1 111 ? -6.107 -11.991 12.368 1.00 43.46 ? 452 LYS A O 1 ATOM 833 C CB . LYS A 1 111 ? -7.349 -9.669 14.183 1.00 44.22 ? 452 LYS A CB 1 ATOM 834 C CG . LYS A 1 111 ? -7.725 -10.370 15.465 1.00 46.14 ? 452 LYS A CG 1 ATOM 835 C CD . LYS A 1 111 ? -8.788 -9.587 16.222 1.00 49.72 ? 452 LYS A CD 1 ATOM 836 C CE . LYS A 1 111 ? -9.029 -10.185 17.599 1.00 51.94 ? 452 LYS A CE 1 ATOM 837 N NZ . LYS A 1 111 ? -9.864 -11.416 17.539 1.00 53.04 ? 452 LYS A NZ 1 ATOM 838 N N . ASP A 1 112 ? -5.231 -12.232 14.414 1.00 42.76 ? 453 ASP A N 1 ATOM 839 C CA . ASP A 1 112 ? -4.967 -13.677 14.297 1.00 42.44 ? 453 ASP A CA 1 ATOM 840 C C . ASP A 1 112 ? -3.917 -14.084 13.249 1.00 40.29 ? 453 ASP A C 1 ATOM 841 O O . ASP A 1 112 ? -3.717 -15.268 12.989 1.00 39.91 ? 453 ASP A O 1 ATOM 842 C CB . ASP A 1 112 ? -6.262 -14.478 14.098 1.00 43.37 ? 453 ASP A CB 1 ATOM 843 C CG . ASP A 1 112 ? -7.225 -14.289 15.238 1.00 46.75 ? 453 ASP A CG 1 ATOM 844 O OD1 . ASP A 1 112 ? -8.458 -14.216 14.993 1.00 51.94 ? 453 ASP A OD1 1 ATOM 845 O OD2 . ASP A 1 112 ? -6.838 -14.174 16.420 1.00 49.81 ? 453 ASP A OD2 1 ATOM 846 N N . LYS A 1 113 ? -3.245 -13.115 12.654 1.00 38.51 ? 454 LYS A N 1 ATOM 847 C CA . LYS A 1 113 ? -2.169 -13.447 11.720 1.00 36.70 ? 454 LYS A CA 1 ATOM 848 C C . LYS A 1 113 ? -0.857 -13.603 12.500 1.00 35.75 ? 454 LYS A C 1 ATOM 849 O O . LYS A 1 113 ? -0.831 -13.434 13.727 1.00 35.20 ? 454 LYS A O 1 ATOM 850 C CB . LYS A 1 113 ? -2.052 -12.381 10.635 1.00 37.01 ? 454 LYS A CB 1 ATOM 851 C CG . LYS A 1 113 ? -3.339 -12.218 9.763 1.00 37.45 ? 454 LYS A CG 1 ATOM 852 C CD . LYS A 1 113 ? -3.738 -13.561 9.150 1.00 39.48 ? 454 LYS A CD 1 ATOM 853 C CE . LYS A 1 113 ? -4.970 -13.417 8.252 1.00 42.03 ? 454 LYS A CE 1 ATOM 854 N NZ . LYS A 1 113 ? -6.113 -12.884 9.056 1.00 44.37 ? 454 LYS A NZ 1 ATOM 855 N N . LYS A 1 114 ? 0.216 -13.932 11.784 1.00 34.51 ? 455 LYS A N 1 ATOM 856 C CA . LYS A 1 114 ? 1.536 -14.114 12.376 1.00 33.41 ? 455 LYS A CA 1 ATOM 857 C C . LYS A 1 114 ? 2.392 -12.861 12.154 1.00 32.28 ? 455 LYS A C 1 ATOM 858 O O . LYS A 1 114 ? 2.450 -12.355 11.048 1.00 31.41 ? 455 LYS A O 1 ATOM 859 C CB . LYS A 1 114 ? 2.221 -15.340 11.759 1.00 33.97 ? 455 LYS A CB 1 ATOM 860 C CG . LYS A 1 114 ? 1.614 -16.666 12.172 1.00 35.78 ? 455 LYS A CG 1 ATOM 861 C CD . LYS A 1 114 ? 2.309 -17.846 11.492 1.00 39.99 ? 455 LYS A CD 1 ATOM 862 C CE . LYS A 1 114 ? 1.806 -18.048 10.064 1.00 43.68 ? 455 LYS A CE 1 ATOM 863 N NZ . LYS A 1 114 ? 2.624 -19.032 9.282 1.00 45.46 ? 455 LYS A NZ 1 ATOM 864 N N . SER A 1 115 ? 3.092 -12.390 13.193 1.00 30.84 ? 456 SER A N 1 ATOM 865 C CA . SER A 1 115 ? 3.806 -11.137 13.070 1.00 29.47 ? 456 SER A CA 1 ATOM 866 C C . SER A 1 115 ? 5.318 -11.195 13.372 1.00 28.71 ? 456 SER A C 1 ATOM 867 O O . SER A 1 115 ? 5.778 -12.026 14.152 1.00 28.04 ? 456 SER A O 1 ATOM 868 C CB . SER A 1 115 ? 3.108 -10.038 13.897 1.00 28.81 ? 456 SER A CB 1 ATOM 869 O OG . SER A 1 115 ? 3.140 -10.302 15.292 1.00 29.50 ? 456 SER A OG 1 ATOM 870 N N . CYS A 1 116 ? 6.060 -10.292 12.748 1.00 28.39 ? 457 CYS A N 1 ATOM 871 C CA . CYS A 1 116 ? 7.517 -10.170 12.964 1.00 27.71 ? 457 CYS A CA 1 ATOM 872 C C . CYS A 1 116 ? 7.815 -8.755 13.402 1.00 26.16 ? 457 CYS A C 1 ATOM 873 O O . CYS A 1 116 ? 7.492 -7.821 12.672 1.00 26.16 ? 457 CYS A O 1 ATOM 874 C CB . CYS A 1 116 ? 8.275 -10.461 11.668 1.00 28.40 ? 457 CYS A CB 1 ATOM 875 S SG . CYS A 1 116 ? 7.809 -12.036 10.893 1.00 32.61 ? 457 CYS A SG 1 ATOM 876 N N . HIS A 1 117 ? 8.478 -8.608 14.552 1.00 24.51 ? 458 HIS A N 1 ATOM 877 C CA . HIS A 1 117 ? 8.790 -7.321 15.172 1.00 24.30 ? 458 HIS A CA 1 ATOM 878 C C . HIS A 1 117 ? 10.286 -7.207 15.416 1.00 23.78 ? 458 HIS A C 1 ATOM 879 O O . HIS A 1 117 ? 10.897 -8.193 15.755 1.00 23.40 ? 458 HIS A O 1 ATOM 880 C CB . HIS A 1 117 ? 8.093 -7.237 16.533 1.00 23.69 ? 458 HIS A CB 1 ATOM 881 C CG . HIS A 1 117 ? 6.615 -7.435 16.454 1.00 23.81 ? 458 HIS A CG 1 ATOM 882 N ND1 . HIS A 1 117 ? 5.714 -6.389 16.498 1.00 27.77 ? 458 HIS A ND1 1 ATOM 883 C CD2 . HIS A 1 117 ? 5.877 -8.559 16.301 1.00 24.93 ? 458 HIS A CD2 1 ATOM 884 C CE1 . HIS A 1 117 ? 4.484 -6.864 16.406 1.00 27.78 ? 458 HIS A CE1 1 ATOM 885 N NE2 . HIS A 1 117 ? 4.555 -8.177 16.276 1.00 28.00 ? 458 HIS A NE2 1 ATOM 886 N N . THR A 1 118 ? 10.855 -6.021 15.242 1.00 23.86 ? 459 THR A N 1 ATOM 887 C CA . THR A 1 118 ? 12.289 -5.826 15.525 1.00 24.38 ? 459 THR A CA 1 ATOM 888 C C . THR A 1 118 ? 12.650 -6.269 16.938 1.00 24.61 ? 459 THR A C 1 ATOM 889 O O . THR A 1 118 ? 13.643 -6.993 17.147 1.00 23.74 ? 459 THR A O 1 ATOM 890 C CB . THR A 1 118 ? 12.694 -4.351 15.322 1.00 23.28 ? 459 THR A CB 1 ATOM 891 O OG1 . THR A 1 118 ? 11.839 -3.498 16.108 1.00 26.10 ? 459 THR A OG1 1 ATOM 892 C CG2 . THR A 1 118 ? 12.483 -3.930 13.876 1.00 23.59 ? 459 THR A CG2 1 ATOM 893 N N . ALA A 1 119 ? 11.865 -5.776 17.902 1.00 25.15 ? 460 ALA A N 1 ATOM 894 C CA . ALA A 1 119 ? 11.949 -6.124 19.321 1.00 25.93 ? 460 ALA A CA 1 ATOM 895 C C . ALA A 1 119 ? 10.862 -5.373 20.063 1.00 26.74 ? 460 ALA A C 1 ATOM 896 O O . ALA A 1 119 ? 10.382 -4.358 19.594 1.00 28.88 ? 460 ALA A O 1 ATOM 897 C CB . ALA A 1 119 ? 13.303 -5.741 19.944 1.00 25.33 ? 460 ALA A CB 1 ATOM 898 N N . VAL A 1 120 ? 10.465 -5.868 21.227 1.00 27.14 ? 461 VAL A N 1 ATOM 899 C CA . VAL A 1 120 ? 9.557 -5.093 22.080 1.00 27.58 ? 461 VAL A CA 1 ATOM 900 C C . VAL A 1 120 ? 10.183 -3.738 22.440 1.00 27.94 ? 461 VAL A C 1 ATOM 901 O O . VAL A 1 120 ? 11.402 -3.637 22.582 1.00 27.00 ? 461 VAL A O 1 ATOM 902 C CB . VAL A 1 120 ? 9.207 -5.900 23.348 1.00 27.50 ? 461 VAL A CB 1 ATOM 903 C CG1 . VAL A 1 120 ? 8.440 -5.050 24.364 1.00 30.45 ? 461 VAL A CG1 1 ATOM 904 C CG2 . VAL A 1 120 ? 8.379 -7.089 22.936 1.00 28.31 ? 461 VAL A CG2 1 ATOM 905 N N . ASP A 1 121 ? 9.351 -2.699 22.510 1.00 28.52 ? 462 ASP A N 1 ATOM 906 C CA . ASP A 1 121 ? 9.769 -1.362 22.916 1.00 29.28 ? 462 ASP A CA 1 ATOM 907 C C . ASP A 1 121 ? 10.444 -0.521 21.840 1.00 28.58 ? 462 ASP A C 1 ATOM 908 O O . ASP A 1 121 ? 10.757 0.654 22.068 1.00 29.57 ? 462 ASP A O 1 ATOM 909 C CB . ASP A 1 121 ? 10.716 -1.439 24.107 1.00 30.23 ? 462 ASP A CB 1 ATOM 910 C CG . ASP A 1 121 ? 10.001 -1.553 25.416 1.00 35.08 ? 462 ASP A CG 1 ATOM 911 O OD1 . ASP A 1 121 ? 8.756 -1.749 25.433 1.00 37.81 ? 462 ASP A OD1 1 ATOM 912 O OD2 . ASP A 1 121 ? 10.626 -1.435 26.496 1.00 41.34 ? 462 ASP A OD2 1 ATOM 913 N N . ARG A 1 122 ? 10.699 -1.102 20.682 1.00 26.99 ? 463 ARG A N 1 ATOM 914 C CA . ARG A 1 122 ? 11.323 -0.341 19.598 1.00 26.58 ? 463 ARG A CA 1 ATOM 915 C C . ARG A 1 122 ? 10.253 0.421 18.782 1.00 26.52 ? 463 ARG A C 1 ATOM 916 O O . ARG A 1 122 ? 9.079 0.058 18.801 1.00 25.96 ? 463 ARG A O 1 ATOM 917 C CB . ARG A 1 122 ? 12.190 -1.250 18.733 1.00 26.03 ? 463 ARG A CB 1 ATOM 918 C CG . ARG A 1 122 ? 13.503 -1.665 19.410 1.00 28.03 ? 463 ARG A CG 1 ATOM 919 C CD . ARG A 1 122 ? 14.457 -2.495 18.519 1.00 28.90 ? 463 ARG A CD 1 ATOM 920 N NE . ARG A 1 122 ? 14.775 -1.877 17.230 1.00 32.13 ? 463 ARG A NE 1 ATOM 921 C CZ . ARG A 1 122 ? 15.796 -2.276 16.460 1.00 34.77 ? 463 ARG A CZ 1 ATOM 922 N NH1 . ARG A 1 122 ? 16.575 -3.280 16.873 1.00 31.57 ? 463 ARG A NH1 1 ATOM 923 N NH2 . ARG A 1 122 ? 16.035 -1.700 15.271 1.00 33.55 ? 463 ARG A NH2 1 ATOM 924 N N . THR A 1 123 ? 10.664 1.487 18.113 1.00 26.21 ? 464 THR A N 1 ATOM 925 C CA . THR A 1 123 ? 9.742 2.368 17.383 1.00 25.70 ? 464 THR A CA 1 ATOM 926 C C . THR A 1 123 ? 8.930 1.702 16.274 1.00 25.80 ? 464 THR A C 1 ATOM 927 O O . THR A 1 123 ? 7.715 1.535 16.419 1.00 24.95 ? 464 THR A O 1 ATOM 928 C CB . THR A 1 123 ? 10.479 3.629 16.863 1.00 25.58 ? 464 THR A CB 1 ATOM 929 O OG1 . THR A 1 123 ? 11.033 4.341 17.980 1.00 23.72 ? 464 THR A OG1 1 ATOM 930 C CG2 . THR A 1 123 ? 9.497 4.661 16.252 1.00 24.78 ? 464 THR A CG2 1 ATOM 931 N N . ALA A 1 124 ? 9.566 1.344 15.171 1.00 25.03 ? 465 ALA A N 1 ATOM 932 C CA . ALA A 1 124 ? 8.801 0.793 14.062 1.00 26.05 ? 465 ALA A CA 1 ATOM 933 C C . ALA A 1 124 ? 8.336 -0.609 14.322 1.00 26.74 ? 465 ALA A C 1 ATOM 934 O O . ALA A 1 124 ? 7.281 -1.024 13.823 1.00 27.05 ? 465 ALA A O 1 ATOM 935 C CB . ALA A 1 124 ? 9.604 0.829 12.751 1.00 25.77 ? 465 ALA A CB 1 ATOM 936 N N . GLY A 1 125 ? 9.111 -1.348 15.090 1.00 25.53 ? 466 GLY A N 1 ATOM 937 C CA . GLY A 1 125 ? 8.779 -2.746 15.246 1.00 27.24 ? 466 GLY A CA 1 ATOM 938 C C . GLY A 1 125 ? 7.714 -2.997 16.286 1.00 27.39 ? 466 GLY A C 1 ATOM 939 O O . GLY A 1 125 ? 7.101 -4.068 16.305 1.00 27.76 ? 466 GLY A O 1 ATOM 940 N N . TRP A 1 126 ? 7.471 -2.003 17.136 1.00 27.76 ? 467 TRP A N 1 ATOM 941 C CA . TRP A 1 126 ? 6.605 -2.227 18.280 1.00 27.97 ? 467 TRP A CA 1 ATOM 942 C C . TRP A 1 126 ? 5.726 -1.067 18.690 1.00 28.38 ? 467 TRP A C 1 ATOM 943 O O . TRP A 1 126 ? 4.512 -1.205 18.662 1.00 27.37 ? 467 TRP A O 1 ATOM 944 C CB . TRP A 1 126 ? 7.422 -2.660 19.499 1.00 27.58 ? 467 TRP A CB 1 ATOM 945 C CG . TRP A 1 126 ? 6.570 -3.105 20.602 1.00 29.94 ? 467 TRP A CG 1 ATOM 946 C CD1 . TRP A 1 126 ? 6.167 -2.372 21.688 1.00 29.47 ? 467 TRP A CD1 1 ATOM 947 C CD2 . TRP A 1 126 ? 5.969 -4.389 20.738 1.00 31.09 ? 467 TRP A CD2 1 ATOM 948 N NE1 . TRP A 1 126 ? 5.345 -3.132 22.490 1.00 31.75 ? 467 TRP A NE1 1 ATOM 949 C CE2 . TRP A 1 126 ? 5.203 -4.372 21.929 1.00 31.59 ? 467 TRP A CE2 1 ATOM 950 C CE3 . TRP A 1 126 ? 5.975 -5.557 19.960 1.00 30.13 ? 467 TRP A CE3 1 ATOM 951 C CZ2 . TRP A 1 126 ? 4.485 -5.482 22.371 1.00 32.38 ? 467 TRP A CZ2 1 ATOM 952 C CZ3 . TRP A 1 126 ? 5.260 -6.651 20.401 1.00 30.31 ? 467 TRP A CZ3 1 ATOM 953 C CH2 . TRP A 1 126 ? 4.532 -6.605 21.596 1.00 33.64 ? 467 TRP A CH2 1 ATOM 954 N N . ASN A 1 127 ? 6.332 0.042 19.104 1.00 28.44 ? 468 ASN A N 1 ATOM 955 C CA . ASN A 1 127 ? 5.562 1.161 19.608 1.00 30.16 ? 468 ASN A CA 1 ATOM 956 C C . ASN A 1 127 ? 4.494 1.680 18.627 1.00 31.30 ? 468 ASN A C 1 ATOM 957 O O . ASN A 1 127 ? 3.346 1.845 19.020 1.00 31.47 ? 468 ASN A O 1 ATOM 958 C CB . ASN A 1 127 ? 6.474 2.289 20.101 1.00 29.82 ? 468 ASN A CB 1 ATOM 959 C CG . ASN A 1 127 ? 7.255 1.901 21.352 1.00 29.18 ? 468 ASN A CG 1 ATOM 960 O OD1 . ASN A 1 127 ? 6.881 0.950 22.072 1.00 29.96 ? 468 ASN A OD1 1 ATOM 961 N ND2 . ASN A 1 127 ? 8.353 2.623 21.613 1.00 27.77 ? 468 ASN A ND2 1 ATOM 962 N N . ILE A 1 128 ? 4.876 1.915 17.376 1.00 31.70 ? 469 ILE A N 1 ATOM 963 C CA . ILE A 1 128 ? 3.945 2.406 16.363 1.00 33.22 ? 469 ILE A CA 1 ATOM 964 C C . ILE A 1 128 ? 2.826 1.395 16.031 1.00 34.23 ? 469 ILE A C 1 ATOM 965 O O . ILE A 1 128 ? 1.647 1.751 16.076 1.00 34.61 ? 469 ILE A O 1 ATOM 966 C CB . ILE A 1 128 ? 4.702 2.867 15.091 1.00 33.20 ? 469 ILE A CB 1 ATOM 967 C CG1 . ILE A 1 128 ? 5.637 4.036 15.394 1.00 33.55 ? 469 ILE A CG1 1 ATOM 968 C CG2 . ILE A 1 128 ? 3.733 3.250 13.984 1.00 33.15 ? 469 ILE A CG2 1 ATOM 969 C CD1 . ILE A 1 128 ? 4.980 5.214 16.066 1.00 36.13 ? 469 ILE A CD1 1 ATOM 970 N N . PRO A 1 129 ? 3.181 0.168 15.648 1.00 34.87 ? 470 PRO A N 1 ATOM 971 C CA . PRO A 1 129 ? 2.205 -0.910 15.414 1.00 35.63 ? 470 PRO A CA 1 ATOM 972 C C . PRO A 1 129 ? 1.266 -1.195 16.567 1.00 36.52 ? 470 PRO A C 1 ATOM 973 O O . PRO A 1 129 ? 0.044 -1.170 16.390 1.00 36.51 ? 470 PRO A O 1 ATOM 974 C CB . PRO A 1 129 ? 3.086 -2.166 15.292 1.00 36.50 ? 470 PRO A CB 1 ATOM 975 C CG . PRO A 1 129 ? 4.446 -1.731 15.052 1.00 34.79 ? 470 PRO A CG 1 ATOM 976 C CD . PRO A 1 129 ? 4.540 -0.246 15.270 1.00 35.06 ? 470 PRO A CD 1 ATOM 977 N N . MET A 1 130 ? 1.842 -1.540 17.715 1.00 36.80 ? 471 MET A N 1 ATOM 978 C CA . MET A 1 130 ? 1.049 -1.944 18.865 1.00 38.54 ? 471 MET A CA 1 ATOM 979 C C . MET A 1 130 ? 0.241 -0.778 19.405 1.00 39.31 ? 471 MET A C 1 ATOM 980 O O . MET A 1 130 ? -0.831 -0.979 19.948 1.00 39.25 ? 471 MET A O 1 ATOM 981 C CB . MET A 1 130 ? 1.909 -2.596 19.954 1.00 38.41 ? 471 MET A CB 1 ATOM 982 C CG . MET A 1 130 ? 2.532 -3.911 19.528 1.00 40.09 ? 471 MET A CG 1 ATOM 983 S SD . MET A 1 130 ? 1.416 -5.065 18.633 1.00 43.49 ? 471 MET A SD 1 ATOM 984 C CE . MET A 1 130 ? 1.964 -4.877 17.064 1.00 47.11 ? 471 MET A CE 1 ATOM 985 N N . GLY A 1 131 ? 0.754 0.431 19.227 1.00 39.67 ? 472 GLY A N 1 ATOM 986 C CA . GLY A 1 131 ? 0.034 1.621 19.631 1.00 41.54 ? 472 GLY A CA 1 ATOM 987 C C . GLY A 1 131 ? -1.225 1.733 18.794 1.00 42.73 ? 472 GLY A C 1 ATOM 988 O O . GLY A 1 131 ? -2.319 1.886 19.329 1.00 42.64 ? 472 GLY A O 1 ATOM 989 N N . LEU A 1 132 ? -1.064 1.641 17.478 1.00 43.52 ? 473 LEU A N 1 ATOM 990 C CA . LEU A 1 132 ? -2.189 1.697 16.559 1.00 45.75 ? 473 LEU A CA 1 ATOM 991 C C . LEU A 1 132 ? -3.201 0.587 16.770 1.00 47.02 ? 473 LEU A C 1 ATOM 992 O O . LEU A 1 132 ? -4.408 0.808 16.611 1.00 47.45 ? 473 LEU A O 1 ATOM 993 C CB . LEU A 1 132 ? -1.701 1.644 15.127 1.00 45.22 ? 473 LEU A CB 1 ATOM 994 C CG . LEU A 1 132 ? -0.990 2.915 14.691 1.00 46.44 ? 473 LEU A CG 1 ATOM 995 C CD1 . LEU A 1 132 ? -0.273 2.669 13.370 1.00 47.84 ? 473 LEU A CD1 1 ATOM 996 C CD2 . LEU A 1 132 ? -1.989 4.073 14.570 1.00 47.31 ? 473 LEU A CD2 1 ATOM 997 N N . ILE A 1 133 ? -2.711 -0.606 17.091 1.00 48.00 ? 474 ILE A N 1 ATOM 998 C CA . ILE A 1 133 ? -3.593 -1.733 17.325 1.00 49.62 ? 474 ILE A CA 1 ATOM 999 C C . ILE A 1 133 ? -4.392 -1.537 18.602 1.00 50.82 ? 474 ILE A C 1 ATOM 1000 O O . ILE A 1 133 ? -5.612 -1.688 18.596 1.00 51.01 ? 474 ILE A O 1 ATOM 1001 C CB . ILE A 1 133 ? -2.813 -3.055 17.402 1.00 49.60 ? 474 ILE A CB 1 ATOM 1002 C CG1 . ILE A 1 133 ? -2.204 -3.410 16.039 1.00 49.96 ? 474 ILE A CG1 1 ATOM 1003 C CG2 . ILE A 1 133 ? -3.715 -4.164 17.918 1.00 48.30 ? 474 ILE A CG2 1 ATOM 1004 C CD1 . ILE A 1 133 ? -3.106 -3.134 14.866 1.00 50.65 ? 474 ILE A CD1 1 ATOM 1005 N N . VAL A 1 134 ? -3.703 -1.212 19.695 1.00 52.12 ? 475 VAL A N 1 ATOM 1006 C CA . VAL A 1 134 ? -4.373 -0.972 20.971 1.00 53.92 ? 475 VAL A CA 1 ATOM 1007 C C . VAL A 1 134 ? -5.437 0.107 20.784 1.00 55.27 ? 475 VAL A C 1 ATOM 1008 O O . VAL A 1 134 ? -6.580 -0.065 21.204 1.00 55.85 ? 475 VAL A O 1 ATOM 1009 C CB . VAL A 1 134 ? -3.368 -0.584 22.082 1.00 53.71 ? 475 VAL A CB 1 ATOM 1010 C CG1 . VAL A 1 134 ? -4.062 0.122 23.236 1.00 53.75 ? 475 VAL A CG1 1 ATOM 1011 C CG2 . VAL A 1 134 ? -2.628 -1.816 22.568 1.00 53.07 ? 475 VAL A CG2 1 ATOM 1012 N N . ASN A 1 135 ? -5.049 1.199 20.131 1.00 56.86 ? 476 ASN A N 1 ATOM 1013 C CA . ASN A 1 135 ? -5.956 2.286 19.778 1.00 58.67 ? 476 ASN A CA 1 ATOM 1014 C C . ASN A 1 135 ? -7.229 1.730 19.156 1.00 59.04 ? 476 ASN A C 1 ATOM 1015 O O . ASN A 1 135 ? -8.332 2.005 19.622 1.00 59.01 ? 476 ASN A O 1 ATOM 1016 C CB . ASN A 1 135 ? -5.299 3.204 18.739 1.00 59.32 ? 476 ASN A CB 1 ATOM 1017 C CG . ASN A 1 135 ? -4.881 4.574 19.296 1.00 62.16 ? 476 ASN A CG 1 ATOM 1018 O OD1 . ASN A 1 135 ? -5.149 5.603 18.672 1.00 63.62 ? 476 ASN A OD1 1 ATOM 1019 N ND2 . ASN A 1 135 ? -4.199 4.592 20.431 1.00 66.10 ? 476 ASN A ND2 1 ATOM 1020 N N . GLN A 1 136 ? -7.061 0.930 18.106 1.00 59.52 ? 477 GLN A N 1 ATOM 1021 C CA . GLN A 1 136 ? -8.188 0.411 17.331 1.00 59.78 ? 477 GLN A CA 1 ATOM 1022 C C . GLN A 1 136 ? -9.019 -0.718 17.957 1.00 60.04 ? 477 GLN A C 1 ATOM 1023 O O . GLN A 1 136 ? -10.241 -0.767 17.772 1.00 59.94 ? 477 GLN A O 1 ATOM 1024 C CB . GLN A 1 136 ? -7.723 0.031 15.926 1.00 59.72 ? 477 GLN A CB 1 ATOM 1025 C CG . GLN A 1 136 ? -7.367 1.240 15.079 1.00 60.40 ? 477 GLN A CG 1 ATOM 1026 C CD . GLN A 1 136 ? -6.484 0.891 13.899 1.00 60.95 ? 477 GLN A CD 1 ATOM 1027 O OE1 . GLN A 1 136 ? -6.184 1.750 13.064 1.00 61.77 ? 477 GLN A OE1 1 ATOM 1028 N NE2 . GLN A 1 136 ? -6.054 -0.364 13.831 1.00 60.82 ? 477 GLN A NE2 1 ATOM 1029 N N . THR A 1 137 ? -8.380 -1.633 18.677 1.00 60.20 ? 478 THR A N 1 ATOM 1030 C CA . THR A 1 137 ? -9.131 -2.710 19.317 1.00 60.40 ? 478 THR A CA 1 ATOM 1031 C C . THR A 1 137 ? -9.770 -2.232 20.614 1.00 60.63 ? 478 THR A C 1 ATOM 1032 O O . THR A 1 137 ? -10.648 -2.897 21.158 1.00 60.92 ? 478 THR A O 1 ATOM 1033 C CB . THR A 1 137 ? -8.247 -3.932 19.598 1.00 60.36 ? 478 THR A CB 1 ATOM 1034 O OG1 . THR A 1 137 ? -7.160 -3.563 20.461 1.00 60.33 ? 478 THR A OG1 1 ATOM 1035 C CG2 . THR A 1 137 ? -7.570 -4.408 18.323 1.00 60.11 ? 478 THR A CG2 1 ATOM 1036 N N . GLY A 1 138 ? -9.311 -1.082 21.101 1.00 60.68 ? 479 GLY A N 1 ATOM 1037 C CA . GLY A 1 138 ? -9.794 -0.504 22.341 1.00 60.85 ? 479 GLY A CA 1 ATOM 1038 C C . GLY A 1 138 ? -9.321 -1.267 23.562 1.00 60.97 ? 479 GLY A C 1 ATOM 1039 O O . GLY A 1 138 ? -9.728 -0.974 24.687 1.00 61.21 ? 479 GLY A O 1 ATOM 1040 N N . SER A 1 139 ? -8.424 -2.218 23.343 1.00 60.90 ? 480 SER A N 1 ATOM 1041 C CA . SER A 1 139 ? -8.005 -3.134 24.391 1.00 60.99 ? 480 SER A CA 1 ATOM 1042 C C . SER A 1 139 ? -6.496 -3.177 24.610 1.00 61.20 ? 480 SER A C 1 ATOM 1043 O O . SER A 1 139 ? -5.716 -2.821 23.725 1.00 61.02 ? 480 SER A O 1 ATOM 1044 C CB . SER A 1 139 ? -8.497 -4.532 24.032 1.00 61.05 ? 480 SER A CB 1 ATOM 1045 O OG . SER A 1 139 ? -7.772 -5.527 24.727 1.00 61.34 ? 480 SER A OG 1 ATOM 1046 N N . CYS A 1 140 ? -6.094 -3.642 25.788 1.00 61.08 ? 481 CYS A N 1 ATOM 1047 C CA . CYS A 1 140 ? -4.680 -3.721 26.131 1.00 61.36 ? 481 CYS A CA 1 ATOM 1048 C C . CYS A 1 140 ? -4.102 -5.092 25.825 1.00 60.73 ? 481 CYS A C 1 ATOM 1049 O O . CYS A 1 140 ? -2.895 -5.317 25.941 1.00 60.80 ? 481 CYS A O 1 ATOM 1050 C CB . CYS A 1 140 ? -4.468 -3.371 27.604 1.00 61.60 ? 481 CYS A CB 1 ATOM 1051 S SG . CYS A 1 140 ? -4.306 -1.594 27.886 1.00 64.16 ? 481 CYS A SG 1 ATOM 1052 N N . ALA A 1 141 ? -4.968 -6.002 25.407 1.00 59.87 ? 482 ALA A N 1 ATOM 1053 C CA . ALA A 1 141 ? -4.546 -7.363 25.129 1.00 59.40 ? 482 ALA A CA 1 ATOM 1054 C C . ALA A 1 141 ? -3.778 -7.489 23.811 1.00 58.89 ? 482 ALA A C 1 ATOM 1055 O O . ALA A 1 141 ? -4.055 -8.381 23.015 1.00 59.05 ? 482 ALA A O 1 ATOM 1056 C CB . ALA A 1 141 ? -5.751 -8.301 25.147 1.00 59.56 ? 482 ALA A CB 1 ATOM 1057 N N . PHE A 1 142 ? -2.811 -6.601 23.586 1.00 58.11 ? 483 PHE A N 1 ATOM 1058 C CA . PHE A 1 142 ? -1.998 -6.659 22.374 1.00 56.97 ? 483 PHE A CA 1 ATOM 1059 C C . PHE A 1 142 ? -1.250 -7.980 22.307 1.00 56.35 ? 483 PHE A C 1 ATOM 1060 O O . PHE A 1 142 ? -0.728 -8.358 21.267 1.00 56.45 ? 483 PHE A O 1 ATOM 1061 C CB . PHE A 1 142 ? -1.005 -5.491 22.322 1.00 57.06 ? 483 PHE A CB 1 ATOM 1062 C CG . PHE A 1 142 ? 0.004 -5.497 23.439 1.00 56.37 ? 483 PHE A CG 1 ATOM 1063 C CD1 . PHE A 1 142 ? 0.000 -4.499 24.393 1.00 56.74 ? 483 PHE A CD1 1 ATOM 1064 C CD2 . PHE A 1 142 ? 0.958 -6.497 23.532 1.00 55.41 ? 483 PHE A CD2 1 ATOM 1065 C CE1 . PHE A 1 142 ? 0.925 -4.496 25.425 1.00 56.12 ? 483 PHE A CE1 1 ATOM 1066 C CE2 . PHE A 1 142 ? 1.875 -6.506 24.563 1.00 55.44 ? 483 PHE A CE2 1 ATOM 1067 C CZ . PHE A 1 142 ? 1.860 -5.497 25.515 1.00 55.77 ? 483 PHE A CZ 1 ATOM 1068 N N . ASP A 1 143 ? -1.201 -8.677 23.435 1.00 55.59 ? 484 ASP A N 1 ATOM 1069 C CA . ASP A 1 143 ? -0.523 -9.957 23.531 1.00 54.85 ? 484 ASP A CA 1 ATOM 1070 C C . ASP A 1 143 ? -1.376 -11.054 22.944 1.00 54.03 ? 484 ASP A C 1 ATOM 1071 O O . ASP A 1 143 ? -0.896 -12.158 22.703 1.00 54.01 ? 484 ASP A O 1 ATOM 1072 C CB . ASP A 1 143 ? -0.282 -10.290 24.989 1.00 55.57 ? 484 ASP A CB 1 ATOM 1073 C CG . ASP A 1 143 ? -1.556 -10.233 25.799 1.00 56.81 ? 484 ASP A CG 1 ATOM 1074 O OD1 . ASP A 1 143 ? -2.073 -9.113 25.996 1.00 57.61 ? 484 ASP A OD1 1 ATOM 1075 O OD2 . ASP A 1 143 ? -2.121 -11.249 26.259 1.00 59.31 ? 484 ASP A OD2 1 ATOM 1076 N N . GLU A 1 144 ? -2.653 -10.762 22.736 1.00 52.44 ? 485 GLU A N 1 ATOM 1077 C CA . GLU A 1 144 ? -3.567 -11.759 22.203 1.00 51.27 ? 485 GLU A CA 1 ATOM 1078 C C . GLU A 1 144 ? -4.095 -11.368 20.833 1.00 49.25 ? 485 GLU A C 1 ATOM 1079 O O . GLU A 1 144 ? -5.077 -11.933 20.356 1.00 49.46 ? 485 GLU A O 1 ATOM 1080 C CB . GLU A 1 144 ? -4.725 -11.993 23.184 1.00 52.02 ? 485 GLU A CB 1 ATOM 1081 C CG . GLU A 1 144 ? -4.369 -12.960 24.305 1.00 54.59 ? 485 GLU A CG 1 ATOM 1082 C CD . GLU A 1 144 ? -5.364 -12.945 25.454 1.00 57.80 ? 485 GLU A CD 1 ATOM 1083 O OE1 . GLU A 1 144 ? -5.350 -13.912 26.254 1.00 59.40 ? 485 GLU A OE1 1 ATOM 1084 O OE2 . GLU A 1 144 ? -6.149 -11.971 25.567 1.00 58.52 ? 485 GLU A OE2 1 ATOM 1085 N N . PHE A 1 145 ? -3.444 -10.397 20.200 1.00 46.53 ? 486 PHE A N 1 ATOM 1086 C CA . PHE A 1 145 ? -3.913 -9.907 18.907 1.00 44.06 ? 486 PHE A CA 1 ATOM 1087 C C . PHE A 1 145 ? -3.423 -10.751 17.735 1.00 42.46 ? 486 PHE A C 1 ATOM 1088 O O . PHE A 1 145 ? -4.224 -11.193 16.908 1.00 41.92 ? 486 PHE A O 1 ATOM 1089 C CB . PHE A 1 145 ? -3.536 -8.444 18.724 1.00 43.64 ? 486 PHE A CB 1 ATOM 1090 C CG . PHE A 1 145 ? -3.973 -7.861 17.413 1.00 43.70 ? 486 PHE A CG 1 ATOM 1091 C CD1 . PHE A 1 145 ? -5.240 -7.347 17.264 1.00 45.05 ? 486 PHE A CD1 1 ATOM 1092 C CD2 . PHE A 1 145 ? -3.096 -7.810 16.330 1.00 44.28 ? 486 PHE A CD2 1 ATOM 1093 C CE1 . PHE A 1 145 ? -5.644 -6.792 16.063 1.00 45.66 ? 486 PHE A CE1 1 ATOM 1094 C CE2 . PHE A 1 145 ? -3.483 -7.266 15.139 1.00 43.80 ? 486 PHE A CE2 1 ATOM 1095 C CZ . PHE A 1 145 ? -4.763 -6.746 15.000 1.00 46.35 ? 486 PHE A CZ 1 ATOM 1096 N N . PHE A 1 146 ? -2.110 -10.954 17.645 1.00 40.31 ? 487 PHE A N 1 ATOM 1097 C CA . PHE A 1 146 ? -1.559 -11.795 16.593 1.00 38.38 ? 487 PHE A CA 1 ATOM 1098 C C . PHE A 1 146 ? -1.623 -13.206 17.141 1.00 37.53 ? 487 PHE A C 1 ATOM 1099 O O . PHE A 1 146 ? -1.547 -13.382 18.346 1.00 37.74 ? 487 PHE A O 1 ATOM 1100 C CB . PHE A 1 146 ? -0.111 -11.379 16.220 1.00 38.04 ? 487 PHE A CB 1 ATOM 1101 C CG . PHE A 1 146 ? -0.033 -10.031 15.553 1.00 37.04 ? 487 PHE A CG 1 ATOM 1102 C CD1 . PHE A 1 146 ? -0.377 -9.878 14.215 1.00 36.33 ? 487 PHE A CD1 1 ATOM 1103 C CD2 . PHE A 1 146 ? 0.355 -8.914 16.267 1.00 36.47 ? 487 PHE A CD2 1 ATOM 1104 C CE1 . PHE A 1 146 ? -0.354 -8.634 13.608 1.00 35.63 ? 487 PHE A CE1 1 ATOM 1105 C CE2 . PHE A 1 146 ? 0.401 -7.678 15.673 1.00 36.13 ? 487 PHE A CE2 1 ATOM 1106 C CZ . PHE A 1 146 ? 0.039 -7.535 14.324 1.00 37.03 ? 487 PHE A CZ 1 ATOM 1107 N N . SER A 1 147 ? -1.786 -14.206 16.281 1.00 36.98 ? 488 SER A N 1 ATOM 1108 C CA . SER A 1 147 ? -1.811 -15.586 16.756 1.00 37.04 ? 488 SER A CA 1 ATOM 1109 C C . SER A 1 147 ? -0.431 -16.049 17.284 1.00 36.87 ? 488 SER A C 1 ATOM 1110 O O . SER A 1 147 ? -0.334 -16.743 18.309 1.00 36.15 ? 488 SER A O 1 ATOM 1111 C CB . SER A 1 147 ? -2.304 -16.526 15.659 1.00 37.63 ? 488 SER A CB 1 ATOM 1112 O OG . SER A 1 147 ? -1.412 -16.559 14.561 1.00 37.80 ? 488 SER A OG 1 ATOM 1113 N N . GLN A 1 148 ? 0.621 -15.677 16.560 1.00 35.72 ? 489 GLN A N 1 ATOM 1114 C CA . GLN A 1 148 ? 1.998 -15.956 16.969 1.00 35.23 ? 489 GLN A CA 1 ATOM 1115 C C . GLN A 1 148 ? 2.866 -14.809 16.460 1.00 33.63 ? 489 GLN A C 1 ATOM 1116 O O . GLN A 1 148 ? 2.521 -14.153 15.483 1.00 33.16 ? 489 GLN A O 1 ATOM 1117 C CB . GLN A 1 148 ? 2.504 -17.259 16.366 1.00 35.05 ? 489 GLN A CB 1 ATOM 1118 C CG . GLN A 1 148 ? 1.730 -18.501 16.786 1.00 38.69 ? 489 GLN A CG 1 ATOM 1119 C CD . GLN A 1 148 ? 2.332 -19.749 16.211 1.00 40.94 ? 489 GLN A CD 1 ATOM 1120 O OE1 . GLN A 1 148 ? 2.973 -20.516 16.924 1.00 44.85 ? 489 GLN A OE1 1 ATOM 1121 N NE2 . GLN A 1 148 ? 2.165 -19.943 14.907 1.00 43.94 ? 489 GLN A NE2 1 ATOM 1122 N N . SER A 1 149 ? 3.993 -14.584 17.115 1.00 31.89 ? 490 SER A N 1 ATOM 1123 C CA . SER A 1 149 ? 4.896 -13.513 16.729 1.00 30.23 ? 490 SER A CA 1 ATOM 1124 C C . SER A 1 149 ? 6.331 -13.862 17.076 1.00 28.82 ? 490 SER A C 1 ATOM 1125 O O . SER A 1 149 ? 6.602 -14.838 17.799 1.00 28.41 ? 490 SER A O 1 ATOM 1126 C CB . SER A 1 149 ? 4.572 -12.231 17.518 1.00 30.12 ? 490 SER A CB 1 ATOM 1127 O OG . SER A 1 149 ? 3.197 -11.874 17.454 1.00 31.72 ? 490 SER A OG 1 ATOM 1128 N N . CYS A 1 150 ? 7.252 -13.071 16.530 1.00 26.89 ? 491 CYS A N 1 ATOM 1129 C CA . CYS A 1 150 ? 8.622 -13.042 17.069 1.00 26.81 ? 491 CYS A CA 1 ATOM 1130 C C . CYS A 1 150 ? 8.790 -11.597 17.501 1.00 25.81 ? 491 CYS A C 1 ATOM 1131 O O . CYS A 1 150 ? 8.820 -10.668 16.677 1.00 26.35 ? 491 CYS A O 1 ATOM 1132 C CB . CYS A 1 150 ? 9.699 -13.477 16.072 1.00 26.85 ? 491 CYS A CB 1 ATOM 1133 S SG . CYS A 1 150 ? 11.349 -13.243 16.833 1.00 28.79 ? 491 CYS A SG 1 ATOM 1134 N N . ALA A 1 151 ? 8.758 -11.389 18.806 1.00 25.15 ? 492 ALA A N 1 ATOM 1135 C CA . ALA A 1 151 ? 8.889 -10.068 19.386 1.00 24.77 ? 492 ALA A CA 1 ATOM 1136 C C . ALA A 1 151 ? 10.002 -10.183 20.433 1.00 24.74 ? 492 ALA A C 1 ATOM 1137 O O . ALA A 1 151 ? 9.771 -10.335 21.631 1.00 24.91 ? 492 ALA A O 1 ATOM 1138 C CB . ALA A 1 151 ? 7.580 -9.589 20.021 1.00 25.09 ? 492 ALA A CB 1 ATOM 1139 N N . PRO A 1 152 ? 11.232 -10.118 19.958 1.00 23.64 ? 493 PRO A N 1 ATOM 1140 C CA . PRO A 1 152 ? 12.387 -10.274 20.856 1.00 24.36 ? 493 PRO A CA 1 ATOM 1141 C C . PRO A 1 152 ? 12.232 -9.355 22.056 1.00 24.72 ? 493 PRO A C 1 ATOM 1142 O O . PRO A 1 152 ? 11.921 -8.148 21.953 1.00 24.63 ? 493 PRO A O 1 ATOM 1143 C CB . PRO A 1 152 ? 13.590 -9.907 19.964 1.00 24.24 ? 493 PRO A CB 1 ATOM 1144 C CG . PRO A 1 152 ? 13.080 -10.260 18.528 1.00 22.60 ? 493 PRO A CG 1 ATOM 1145 C CD . PRO A 1 152 ? 11.610 -9.895 18.555 1.00 24.23 ? 493 PRO A CD 1 ATOM 1146 N N . GLY A 1 153 ? 12.419 -9.942 23.229 1.00 25.19 ? 494 GLY A N 1 ATOM 1147 C CA . GLY A 1 153 ? 12.281 -9.171 24.440 1.00 26.17 ? 494 GLY A CA 1 ATOM 1148 C C . GLY A 1 153 ? 11.022 -9.539 25.212 1.00 27.33 ? 494 GLY A C 1 ATOM 1149 O O . GLY A 1 153 ? 10.884 -9.166 26.365 1.00 27.67 ? 494 GLY A O 1 ATOM 1150 N N . ALA A 1 154 ? 10.115 -10.275 24.588 1.00 27.83 ? 495 ALA A N 1 ATOM 1151 C CA . ALA A 1 154 ? 8.886 -10.684 25.276 1.00 29.03 ? 495 ALA A CA 1 ATOM 1152 C C . ALA A 1 154 ? 9.131 -12.015 25.985 1.00 30.08 ? 495 ALA A C 1 ATOM 1153 O O . ALA A 1 154 ? 10.239 -12.568 25.914 1.00 30.29 ? 495 ALA A O 1 ATOM 1154 C CB . ALA A 1 154 ? 7.739 -10.791 24.291 1.00 28.58 ? 495 ALA A CB 1 ATOM 1155 N N . ASP A 1 155 ? 8.115 -12.525 26.674 1.00 30.84 ? 496 ASP A N 1 ATOM 1156 C CA . ASP A 1 155 ? 8.234 -13.802 27.397 1.00 32.30 ? 496 ASP A CA 1 ATOM 1157 C C . ASP A 1 155 ? 8.440 -14.956 26.405 1.00 32.49 ? 496 ASP A C 1 ATOM 1158 O O . ASP A 1 155 ? 7.575 -15.233 25.566 1.00 32.94 ? 496 ASP A O 1 ATOM 1159 C CB . ASP A 1 155 ? 7.000 -13.996 28.306 1.00 32.95 ? 496 ASP A CB 1 ATOM 1160 C CG . ASP A 1 155 ? 7.036 -15.295 29.107 1.00 34.50 ? 496 ASP A CG 1 ATOM 1161 O OD1 . ASP A 1 155 ? 8.017 -16.082 29.037 1.00 33.55 ? 496 ASP A OD1 1 ATOM 1162 O OD2 . ASP A 1 155 ? 6.084 -15.644 29.838 1.00 38.24 ? 496 ASP A OD2 1 ATOM 1163 N N . PRO A 1 156 ? 9.601 -15.613 26.494 1.00 32.32 ? 497 PRO A N 1 ATOM 1164 C CA . PRO A 1 156 ? 9.986 -16.700 25.582 1.00 32.95 ? 497 PRO A CA 1 ATOM 1165 C C . PRO A 1 156 ? 8.988 -17.856 25.461 1.00 33.62 ? 497 PRO A C 1 ATOM 1166 O O . PRO A 1 156 ? 8.957 -18.524 24.419 1.00 33.71 ? 497 PRO A O 1 ATOM 1167 C CB . PRO A 1 156 ? 11.305 -17.211 26.183 1.00 32.81 ? 497 PRO A CB 1 ATOM 1168 C CG . PRO A 1 156 ? 11.805 -16.125 26.974 1.00 32.63 ? 497 PRO A CG 1 ATOM 1169 C CD . PRO A 1 156 ? 10.638 -15.347 27.508 1.00 32.66 ? 497 PRO A CD 1 ATOM 1170 N N . LYS A 1 157 ? 8.178 -18.083 26.489 1.00 34.93 ? 498 LYS A N 1 ATOM 1171 C CA . LYS A 1 157 ? 7.198 -19.164 26.458 1.00 36.26 ? 498 LYS A CA 1 ATOM 1172 C C . LYS A 1 157 ? 5.843 -18.678 25.971 1.00 36.39 ? 498 LYS A C 1 ATOM 1173 O O . LYS A 1 157 ? 4.905 -19.467 25.864 1.00 36.83 ? 498 LYS A O 1 ATOM 1174 C CB . LYS A 1 157 ? 7.045 -19.813 27.843 1.00 36.80 ? 498 LYS A CB 1 ATOM 1175 C CG . LYS A 1 157 ? 6.453 -18.887 28.933 1.00 39.27 ? 498 LYS A CG 1 ATOM 1176 C CD . LYS A 1 157 ? 6.199 -19.681 30.230 1.00 41.48 ? 498 LYS A CD 1 ATOM 1177 C CE . LYS A 1 157 ? 5.587 -18.818 31.351 1.00 42.22 ? 498 LYS A CE 1 ATOM 1178 N NZ . LYS A 1 157 ? 6.524 -17.781 31.886 1.00 42.87 ? 498 LYS A NZ 1 ATOM 1179 N N . SER A 1 158 ? 5.743 -17.389 25.666 1.00 36.02 ? 499 SER A N 1 ATOM 1180 C CA . SER A 1 158 ? 4.484 -16.820 25.178 1.00 35.66 ? 499 SER A CA 1 ATOM 1181 C C . SER A 1 158 ? 4.382 -16.825 23.664 1.00 35.64 ? 499 SER A C 1 ATOM 1182 O O . SER A 1 158 ? 5.369 -17.063 22.959 1.00 35.89 ? 499 SER A O 1 ATOM 1183 C CB . SER A 1 158 ? 4.303 -15.393 25.666 1.00 35.69 ? 499 SER A CB 1 ATOM 1184 O OG . SER A 1 158 ? 5.161 -14.525 24.945 1.00 33.67 ? 499 SER A OG 1 ATOM 1185 N N . ARG A 1 159 ? 3.185 -16.519 23.173 1.00 35.22 ? 500 ARG A N 1 ATOM 1186 C CA . ARG A 1 159 ? 2.923 -16.490 21.737 1.00 34.99 ? 500 ARG A CA 1 ATOM 1187 C C . ARG A 1 159 ? 3.688 -15.382 21.032 1.00 33.35 ? 500 ARG A C 1 ATOM 1188 O O . ARG A 1 159 ? 4.016 -15.501 19.859 1.00 33.49 ? 500 ARG A O 1 ATOM 1189 C CB . ARG A 1 159 ? 1.405 -16.415 21.439 1.00 35.34 ? 500 ARG A CB 1 ATOM 1190 C CG . ARG A 1 159 ? 0.685 -15.210 22.002 1.00 38.57 ? 500 ARG A CG 1 ATOM 1191 C CD . ARG A 1 159 ? -0.821 -15.481 22.314 1.00 44.17 ? 500 ARG A CD 1 ATOM 1192 N NE . ARG A 1 159 ? -1.675 -15.251 21.157 1.00 46.07 ? 500 ARG A NE 1 ATOM 1193 C CZ . ARG A 1 159 ? -3.002 -15.356 21.157 1.00 48.97 ? 500 ARG A CZ 1 ATOM 1194 N NH1 . ARG A 1 159 ? -3.670 -15.703 22.261 1.00 49.52 ? 500 ARG A NH1 1 ATOM 1195 N NH2 . ARG A 1 159 ? -3.667 -15.113 20.040 1.00 50.07 ? 500 ARG A NH2 1 ATOM 1196 N N . LEU A 1 160 ? 3.998 -14.314 21.751 1.00 32.12 ? 501 LEU A N 1 ATOM 1197 C CA . LEU A 1 160 ? 4.816 -13.255 21.182 1.00 31.11 ? 501 LEU A CA 1 ATOM 1198 C C . LEU A 1 160 ? 6.250 -13.690 20.820 1.00 30.52 ? 501 LEU A C 1 ATOM 1199 O O . LEU A 1 160 ? 6.918 -12.969 20.113 1.00 29.50 ? 501 LEU A O 1 ATOM 1200 C CB . LEU A 1 160 ? 4.876 -12.081 22.144 1.00 31.25 ? 501 LEU A CB 1 ATOM 1201 C CG . LEU A 1 160 ? 3.541 -11.324 22.230 1.00 30.69 ? 501 LEU A CG 1 ATOM 1202 C CD1 . LEU A 1 160 ? 3.529 -10.400 23.441 1.00 30.08 ? 501 LEU A CD1 1 ATOM 1203 C CD2 . LEU A 1 160 ? 3.273 -10.556 20.941 1.00 28.72 ? 501 LEU A CD2 1 ATOM 1204 N N . CYS A 1 161 ? 6.719 -14.825 21.345 1.00 30.59 ? 502 CYS A N 1 ATOM 1205 C CA . CYS A 1 161 ? 8.071 -15.357 21.063 1.00 31.39 ? 502 CYS A CA 1 ATOM 1206 C C . CYS A 1 161 ? 8.048 -16.645 20.280 1.00 31.91 ? 502 CYS A C 1 ATOM 1207 O O . CYS A 1 161 ? 9.109 -17.205 19.947 1.00 32.53 ? 502 CYS A O 1 ATOM 1208 C CB . CYS A 1 161 ? 8.846 -15.629 22.348 1.00 31.15 ? 502 CYS A CB 1 ATOM 1209 S SG . CYS A 1 161 ? 9.400 -14.146 23.173 1.00 31.63 ? 502 CYS A SG 1 ATOM 1210 N N . ALA A 1 162 ? 6.845 -17.116 19.973 1.00 32.12 ? 503 ALA A N 1 ATOM 1211 C CA . ALA A 1 162 ? 6.703 -18.422 19.321 1.00 32.79 ? 503 ALA A CA 1 ATOM 1212 C C . ALA A 1 162 ? 7.426 -18.569 17.999 1.00 32.26 ? 503 ALA A C 1 ATOM 1213 O O . ALA A 1 162 ? 7.903 -19.638 17.671 1.00 33.83 ? 503 ALA A O 1 ATOM 1214 C CB . ALA A 1 162 ? 5.224 -18.811 19.187 1.00 32.63 ? 503 ALA A CB 1 ATOM 1215 N N . LEU A 1 163 ? 7.549 -17.494 17.247 1.00 32.19 ? 504 LEU A N 1 ATOM 1216 C CA . LEU A 1 163 ? 8.186 -17.575 15.945 1.00 31.32 ? 504 LEU A CA 1 ATOM 1217 C C . LEU A 1 163 ? 9.683 -17.267 15.997 1.00 30.87 ? 504 LEU A C 1 ATOM 1218 O O . LEU A 1 163 ? 10.372 -17.415 14.993 1.00 30.41 ? 504 LEU A O 1 ATOM 1219 C CB . LEU A 1 163 ? 7.487 -16.622 14.978 1.00 30.89 ? 504 LEU A CB 1 ATOM 1220 C CG . LEU A 1 163 ? 6.250 -17.076 14.168 1.00 34.21 ? 504 LEU A CG 1 ATOM 1221 C CD1 . LEU A 1 163 ? 5.513 -18.314 14.665 1.00 33.42 ? 504 LEU A CD1 1 ATOM 1222 C CD2 . LEU A 1 163 ? 5.282 -15.897 13.924 1.00 32.18 ? 504 LEU A CD2 1 ATOM 1223 N N . CYS A 1 164 ? 10.189 -16.852 17.152 1.00 30.61 ? 505 CYS A N 1 ATOM 1224 C CA . CYS A 1 164 ? 11.617 -16.549 17.274 1.00 30.54 ? 505 CYS A CA 1 ATOM 1225 C C . CYS A 1 164 ? 12.453 -17.841 17.150 1.00 30.78 ? 505 CYS A C 1 ATOM 1226 O O . CYS A 1 164 ? 12.029 -18.930 17.557 1.00 31.11 ? 505 CYS A O 1 ATOM 1227 C CB . CYS A 1 164 ? 11.926 -15.771 18.572 1.00 29.94 ? 505 CYS A CB 1 ATOM 1228 S SG . CYS A 1 164 ? 11.158 -14.108 18.647 1.00 31.25 ? 505 CYS A SG 1 ATOM 1229 N N . ALA A 1 165 ? 13.644 -17.719 16.591 1.00 31.27 ? 506 ALA A N 1 ATOM 1230 C CA . ALA A 1 165 ? 14.454 -18.903 16.319 1.00 31.94 ? 506 ALA A CA 1 ATOM 1231 C C . ALA A 1 165 ? 15.714 -19.032 17.172 1.00 32.53 ? 506 ALA A C 1 ATOM 1232 O O . ALA A 1 165 ? 16.306 -20.094 17.204 1.00 32.57 ? 506 ALA A O 1 ATOM 1233 C CB . ALA A 1 165 ? 14.834 -18.939 14.865 1.00 31.30 ? 506 ALA A CB 1 ATOM 1234 N N . GLY A 1 166 ? 16.145 -17.970 17.833 1.00 32.68 ? 507 GLY A N 1 ATOM 1235 C CA . GLY A 1 166 ? 17.367 -18.077 18.609 1.00 34.11 ? 507 GLY A CA 1 ATOM 1236 C C . GLY A 1 166 ? 18.577 -18.127 17.684 1.00 35.17 ? 507 GLY A C 1 ATOM 1237 O O . GLY A 1 166 ? 18.492 -17.737 16.527 1.00 33.07 ? 507 GLY A O 1 ATOM 1238 N N . ASP A 1 167 ? 19.698 -18.618 18.205 1.00 37.02 ? 508 ASP A N 1 ATOM 1239 C CA . ASP A 1 167 ? 20.936 -18.681 17.441 1.00 40.02 ? 508 ASP A CA 1 ATOM 1240 C C . ASP A 1 167 ? 21.163 -20.014 16.749 1.00 41.86 ? 508 ASP A C 1 ATOM 1241 O O . ASP A 1 167 ? 20.324 -20.918 16.798 1.00 41.83 ? 508 ASP A O 1 ATOM 1242 C CB . ASP A 1 167 ? 22.116 -18.458 18.382 1.00 40.10 ? 508 ASP A CB 1 ATOM 1243 C CG . ASP A 1 167 ? 22.224 -19.544 19.455 1.00 41.14 ? 508 ASP A CG 1 ATOM 1244 O OD1 . ASP A 1 167 ? 21.574 -20.616 19.336 1.00 41.46 ? 508 ASP A OD1 1 ATOM 1245 O OD2 . ASP A 1 167 ? 22.929 -19.387 20.470 1.00 42.72 ? 508 ASP A OD2 1 ATOM 1246 N N . ASP A 1 168 ? 22.340 -20.118 16.137 1.00 43.97 ? 509 ASP A N 1 ATOM 1247 C CA . ASP A 1 168 ? 22.797 -21.329 15.459 1.00 46.43 ? 509 ASP A CA 1 ATOM 1248 C C . ASP A 1 168 ? 22.385 -22.572 16.215 1.00 47.04 ? 509 ASP A C 1 ATOM 1249 O O . ASP A 1 168 ? 21.835 -23.515 15.640 1.00 47.90 ? 509 ASP A O 1 ATOM 1250 C CB . ASP A 1 168 ? 24.329 -21.301 15.342 1.00 47.15 ? 509 ASP A CB 1 ATOM 1251 C CG . ASP A 1 168 ? 25.013 -21.059 16.683 1.00 49.31 ? 509 ASP A CG 1 ATOM 1252 O OD1 . ASP A 1 168 ? 25.438 -22.046 17.312 1.00 52.48 ? 509 ASP A OD1 1 ATOM 1253 O OD2 . ASP A 1 168 ? 25.175 -19.924 17.192 1.00 52.84 ? 509 ASP A OD2 1 ATOM 1254 N N . GLN A 1 169 ? 22.639 -22.560 17.518 1.00 47.49 ? 510 GLN A N 1 ATOM 1255 C CA . GLN A 1 169 ? 22.357 -23.701 18.372 1.00 47.85 ? 510 GLN A CA 1 ATOM 1256 C C . GLN A 1 169 ? 20.935 -23.720 18.899 1.00 47.73 ? 510 GLN A C 1 ATOM 1257 O O . GLN A 1 169 ? 20.564 -24.622 19.651 1.00 48.51 ? 510 GLN A O 1 ATOM 1258 C CB . GLN A 1 169 ? 23.312 -23.724 19.569 1.00 48.37 ? 510 GLN A CB 1 ATOM 1259 C CG . GLN A 1 169 ? 24.782 -23.947 19.249 1.00 49.28 ? 510 GLN A CG 1 ATOM 1260 C CD . GLN A 1 169 ? 25.476 -24.808 20.311 1.00 52.45 ? 510 GLN A CD 1 ATOM 1261 O OE1 . GLN A 1 169 ? 25.123 -25.982 20.484 1.00 52.51 ? 510 GLN A OE1 1 ATOM 1262 N NE2 . GLN A 1 169 ? 26.470 -24.233 21.011 1.00 52.10 ? 510 GLN A NE2 1 ATOM 1263 N N . GLY A 1 170 ? 20.133 -22.723 18.543 1.00 47.32 ? 511 GLY A N 1 ATOM 1264 C CA . GLY A 1 170 ? 18.770 -22.669 19.036 1.00 45.62 ? 511 GLY A CA 1 ATOM 1265 C C . GLY A 1 170 ? 18.688 -22.151 20.462 1.00 45.15 ? 511 GLY A C 1 ATOM 1266 O O . GLY A 1 170 ? 17.635 -22.264 21.109 1.00 45.64 ? 511 GLY A O 1 ATOM 1267 N N . LEU A 1 171 ? 19.796 -21.611 20.975 1.00 43.09 ? 512 LEU A N 1 ATOM 1268 C CA . LEU A 1 171 ? 19.783 -20.984 22.289 1.00 41.52 ? 512 LEU A CA 1 ATOM 1269 C C . LEU A 1 171 ? 19.389 -19.531 22.071 1.00 39.94 ? 512 LEU A C 1 ATOM 1270 O O . LEU A 1 171 ? 19.418 -19.037 20.943 1.00 39.20 ? 512 LEU A O 1 ATOM 1271 C CB . LEU A 1 171 ? 21.176 -20.978 22.951 1.00 41.57 ? 512 LEU A CB 1 ATOM 1272 C CG . LEU A 1 171 ? 21.937 -22.238 23.393 1.00 42.14 ? 512 LEU A CG 1 ATOM 1273 C CD1 . LEU A 1 171 ? 23.325 -21.862 23.864 1.00 41.82 ? 512 LEU A CD1 1 ATOM 1274 C CD2 . LEU A 1 171 ? 21.230 -22.986 24.490 1.00 41.43 ? 512 LEU A CD2 1 ATOM 1275 N N . ASP A 1 172 ? 19.087 -18.858 23.173 1.00 37.78 ? 513 ASP A N 1 ATOM 1276 C CA . ASP A 1 172 ? 18.746 -17.453 23.183 1.00 36.82 ? 513 ASP A CA 1 ATOM 1277 C C . ASP A 1 172 ? 17.489 -17.130 22.380 1.00 35.15 ? 513 ASP A C 1 ATOM 1278 O O . ASP A 1 172 ? 17.372 -16.040 21.824 1.00 34.56 ? 513 ASP A O 1 ATOM 1279 C CB . ASP A 1 172 ? 19.918 -16.610 22.696 1.00 36.90 ? 513 ASP A CB 1 ATOM 1280 C CG . ASP A 1 172 ? 21.086 -16.626 23.664 1.00 40.54 ? 513 ASP A CG 1 ATOM 1281 O OD1 . ASP A 1 172 ? 21.027 -17.350 24.687 1.00 43.75 ? 513 ASP A OD1 1 ATOM 1282 O OD2 . ASP A 1 172 ? 22.118 -15.956 23.469 1.00 42.71 ? 513 ASP A OD2 1 ATOM 1283 N N . LYS A 1 173 ? 16.554 -18.074 22.308 1.00 33.59 ? 514 LYS A N 1 ATOM 1284 C CA . LYS A 1 173 ? 15.306 -17.807 21.606 1.00 32.51 ? 514 LYS A CA 1 ATOM 1285 C C . LYS A 1 173 ? 14.701 -16.547 22.198 1.00 31.28 ? 514 LYS A C 1 ATOM 1286 O O . LYS A 1 173 ? 14.607 -16.412 23.409 1.00 30.64 ? 514 LYS A O 1 ATOM 1287 C CB . LYS A 1 173 ? 14.330 -18.977 21.759 1.00 32.57 ? 514 LYS A CB 1 ATOM 1288 C CG . LYS A 1 173 ? 13.374 -19.146 20.608 1.00 36.79 ? 514 LYS A CG 1 ATOM 1289 C CD . LYS A 1 173 ? 12.795 -20.577 20.621 1.00 41.96 ? 514 LYS A CD 1 ATOM 1290 C CE . LYS A 1 173 ? 11.493 -20.689 19.827 1.00 44.22 ? 514 LYS A CE 1 ATOM 1291 N NZ . LYS A 1 173 ? 10.462 -19.681 20.233 1.00 42.58 ? 514 LYS A NZ 1 ATOM 1292 N N . CYS A 1 174 ? 14.323 -15.612 21.330 1.00 30.73 ? 515 CYS A N 1 ATOM 1293 C CA . CYS A 1 174 ? 13.648 -14.368 21.714 1.00 29.87 ? 515 CYS A CA 1 ATOM 1294 C C . CYS A 1 174 ? 14.465 -13.324 22.490 1.00 29.30 ? 515 CYS A C 1 ATOM 1295 O O . CYS A 1 174 ? 13.882 -12.372 23.010 1.00 27.26 ? 515 CYS A O 1 ATOM 1296 C CB . CYS A 1 174 ? 12.359 -14.671 22.487 1.00 30.45 ? 515 CYS A CB 1 ATOM 1297 S SG . CYS A 1 174 ? 11.016 -13.535 22.086 1.00 31.97 ? 515 CYS A SG 1 ATOM 1298 N N . VAL A 1 175 ? 15.788 -13.490 22.589 1.00 28.33 ? 516 VAL A N 1 ATOM 1299 C CA . VAL A 1 175 ? 16.584 -12.468 23.259 1.00 28.58 ? 516 VAL A CA 1 ATOM 1300 C C . VAL A 1 175 ? 16.647 -11.267 22.352 1.00 27.82 ? 516 VAL A C 1 ATOM 1301 O O . VAL A 1 175 ? 16.828 -11.419 21.137 1.00 27.69 ? 516 VAL A O 1 ATOM 1302 C CB . VAL A 1 175 ? 18.066 -12.889 23.512 1.00 28.73 ? 516 VAL A CB 1 ATOM 1303 C CG1 . VAL A 1 175 ? 18.128 -14.132 24.361 1.00 29.69 ? 516 VAL A CG1 1 ATOM 1304 C CG2 . VAL A 1 175 ? 18.796 -13.089 22.185 1.00 29.82 ? 516 VAL A CG2 1 ATOM 1305 N N . PRO A 1 176 ? 16.519 -10.076 22.931 1.00 26.69 ? 517 PRO A N 1 ATOM 1306 C CA . PRO A 1 176 ? 16.565 -8.835 22.156 1.00 26.03 ? 517 PRO A CA 1 ATOM 1307 C C . PRO A 1 176 ? 17.993 -8.386 21.872 1.00 25.63 ? 517 PRO A C 1 ATOM 1308 O O . PRO A 1 176 ? 18.403 -7.309 22.294 1.00 26.33 ? 517 PRO A O 1 ATOM 1309 C CB . PRO A 1 176 ? 15.899 -7.819 23.081 1.00 25.09 ? 517 PRO A CB 1 ATOM 1310 C CG . PRO A 1 176 ? 16.107 -8.341 24.441 1.00 26.45 ? 517 PRO A CG 1 ATOM 1311 C CD . PRO A 1 176 ? 16.275 -9.830 24.357 1.00 25.72 ? 517 PRO A CD 1 ATOM 1312 N N . ASN A 1 177 ? 18.715 -9.206 21.147 1.00 26.12 ? 518 ASN A N 1 ATOM 1313 C CA . ASN A 1 177 ? 20.047 -8.845 20.678 1.00 26.22 ? 518 ASN A CA 1 ATOM 1314 C C . ASN A 1 177 ? 20.258 -9.637 19.425 1.00 26.57 ? 518 ASN A C 1 ATOM 1315 O O . ASN A 1 177 ? 19.434 -10.518 19.080 1.00 25.75 ? 518 ASN A O 1 ATOM 1316 C CB . ASN A 1 177 ? 21.135 -8.990 21.777 1.00 25.76 ? 518 ASN A CB 1 ATOM 1317 C CG . ASN A 1 177 ? 21.535 -10.422 22.067 1.00 26.91 ? 518 ASN A CG 1 ATOM 1318 O OD1 . ASN A 1 177 ? 21.537 -11.261 21.200 1.00 27.31 ? 518 ASN A OD1 1 ATOM 1319 N ND2 . ASN A 1 177 ? 21.909 -10.689 23.319 1.00 29.98 ? 518 ASN A ND2 1 ATOM 1320 N N . SER A 1 178 ? 21.328 -9.321 18.704 1.00 26.62 ? 519 SER A N 1 ATOM 1321 C CA . SER A 1 178 ? 21.546 -9.925 17.410 1.00 27.54 ? 519 SER A CA 1 ATOM 1322 C C . SER A 1 178 ? 21.778 -11.433 17.433 1.00 27.81 ? 519 SER A C 1 ATOM 1323 O O . SER A 1 178 ? 21.871 -12.034 16.388 1.00 28.78 ? 519 SER A O 1 ATOM 1324 C CB . SER A 1 178 ? 22.655 -9.198 16.644 1.00 28.20 ? 519 SER A CB 1 ATOM 1325 O OG . SER A 1 178 ? 23.903 -9.512 17.226 1.00 29.20 ? 519 SER A OG 1 ATOM 1326 N N . LYS A 1 179 ? 21.819 -12.064 18.595 1.00 27.65 ? 520 LYS A N 1 ATOM 1327 C CA . LYS A 1 179 ? 21.958 -13.522 18.606 1.00 28.60 ? 520 LYS A CA 1 ATOM 1328 C C . LYS A 1 179 ? 20.686 -14.206 18.103 1.00 28.56 ? 520 LYS A C 1 ATOM 1329 O O . LYS A 1 179 ? 20.717 -15.337 17.559 1.00 28.99 ? 520 LYS A O 1 ATOM 1330 C CB . LYS A 1 179 ? 22.267 -14.017 20.006 1.00 29.15 ? 520 LYS A CB 1 ATOM 1331 C CG . LYS A 1 179 ? 23.733 -13.941 20.367 1.00 33.23 ? 520 LYS A CG 1 ATOM 1332 C CD . LYS A 1 179 ? 23.991 -14.879 21.541 1.00 40.18 ? 520 LYS A CD 1 ATOM 1333 C CE . LYS A 1 179 ? 23.845 -16.322 21.090 1.00 42.07 ? 520 LYS A CE 1 ATOM 1334 N NZ . LYS A 1 179 ? 23.686 -17.273 22.229 1.00 45.13 ? 520 LYS A NZ 1 ATOM 1335 N N . GLU A 1 180 ? 19.570 -13.525 18.323 1.00 27.37 ? 521 GLU A N 1 ATOM 1336 C CA . GLU A 1 180 ? 18.258 -13.978 17.855 1.00 27.83 ? 521 GLU A CA 1 ATOM 1337 C C . GLU A 1 180 ? 18.204 -13.760 16.343 1.00 27.48 ? 521 GLU A C 1 ATOM 1338 O O . GLU A 1 180 ? 18.382 -12.661 15.848 1.00 27.66 ? 521 GLU A O 1 ATOM 1339 C CB . GLU A 1 180 ? 17.130 -13.246 18.605 1.00 26.56 ? 521 GLU A CB 1 ATOM 1340 C CG . GLU A 1 180 ? 15.749 -13.336 17.929 1.00 27.83 ? 521 GLU A CG 1 ATOM 1341 C CD . GLU A 1 180 ? 15.302 -14.777 17.700 1.00 28.20 ? 521 GLU A CD 1 ATOM 1342 O OE1 . GLU A 1 180 ? 15.208 -15.563 18.679 1.00 29.35 ? 521 GLU A OE1 1 ATOM 1343 O OE2 . GLU A 1 180 ? 15.041 -15.141 16.538 1.00 29.41 ? 521 GLU A OE2 1 ATOM 1344 N N . LYS A 1 181 ? 18.024 -14.847 15.614 1.00 27.79 ? 522 LYS A N 1 ATOM 1345 C CA . LYS A 1 181 ? 18.001 -14.821 14.156 1.00 27.85 ? 522 LYS A CA 1 ATOM 1346 C C . LYS A 1 181 ? 17.062 -13.745 13.603 1.00 27.20 ? 522 LYS A C 1 ATOM 1347 O O . LYS A 1 181 ? 17.391 -13.047 12.629 1.00 26.71 ? 522 LYS A O 1 ATOM 1348 C CB . LYS A 1 181 ? 17.548 -16.211 13.672 1.00 28.24 ? 522 LYS A CB 1 ATOM 1349 C CG . LYS A 1 181 ? 17.558 -16.463 12.162 1.00 31.45 ? 522 LYS A CG 1 ATOM 1350 C CD . LYS A 1 181 ? 17.061 -17.907 11.882 1.00 35.75 ? 522 LYS A CD 1 ATOM 1351 C CE . LYS A 1 181 ? 17.361 -18.354 10.459 1.00 39.80 ? 522 LYS A CE 1 ATOM 1352 N NZ . LYS A 1 181 ? 17.253 -19.851 10.303 1.00 42.65 ? 522 LYS A NZ 1 ATOM 1353 N N . TYR A 1 182 ? 15.878 -13.613 14.212 1.00 25.64 ? 523 TYR A N 1 ATOM 1354 C CA . TYR A 1 182 ? 14.920 -12.646 13.718 1.00 25.16 ? 523 TYR A CA 1 ATOM 1355 C C . TYR A 1 182 ? 14.937 -11.291 14.436 1.00 26.04 ? 523 TYR A C 1 ATOM 1356 O O . TYR A 1 182 ? 13.960 -10.524 14.313 1.00 26.26 ? 523 TYR A O 1 ATOM 1357 C CB . TYR A 1 182 ? 13.495 -13.248 13.723 1.00 24.48 ? 523 TYR A CB 1 ATOM 1358 C CG . TYR A 1 182 ? 13.388 -14.511 12.923 1.00 26.23 ? 523 TYR A CG 1 ATOM 1359 C CD1 . TYR A 1 182 ? 13.850 -14.565 11.611 1.00 30.14 ? 523 TYR A CD1 1 ATOM 1360 C CD2 . TYR A 1 182 ? 12.866 -15.670 13.481 1.00 30.03 ? 523 TYR A CD2 1 ATOM 1361 C CE1 . TYR A 1 182 ? 13.766 -15.737 10.870 1.00 31.35 ? 523 TYR A CE1 1 ATOM 1362 C CE2 . TYR A 1 182 ? 12.764 -16.844 12.743 1.00 31.44 ? 523 TYR A CE2 1 ATOM 1363 C CZ . TYR A 1 182 ? 13.234 -16.868 11.446 1.00 31.59 ? 523 TYR A CZ 1 ATOM 1364 O OH . TYR A 1 182 ? 13.169 -18.029 10.706 1.00 35.77 ? 523 TYR A OH 1 ATOM 1365 N N . TYR A 1 183 ? 16.027 -10.954 15.149 1.00 24.45 ? 524 TYR A N 1 ATOM 1366 C CA . TYR A 1 183 ? 16.088 -9.664 15.851 1.00 24.67 ? 524 TYR A CA 1 ATOM 1367 C C . TYR A 1 183 ? 16.330 -8.453 14.952 1.00 25.00 ? 524 TYR A C 1 ATOM 1368 O O . TYR A 1 183 ? 17.065 -8.552 13.958 1.00 24.82 ? 524 TYR A O 1 ATOM 1369 C CB . TYR A 1 183 ? 17.218 -9.660 16.927 1.00 23.45 ? 524 TYR A CB 1 ATOM 1370 C CG . TYR A 1 183 ? 17.459 -8.309 17.559 1.00 22.80 ? 524 TYR A CG 1 ATOM 1371 C CD1 . TYR A 1 183 ? 16.636 -7.842 18.576 1.00 19.54 ? 524 TYR A CD1 1 ATOM 1372 C CD2 . TYR A 1 183 ? 18.530 -7.493 17.161 1.00 22.41 ? 524 TYR A CD2 1 ATOM 1373 C CE1 . TYR A 1 183 ? 16.846 -6.605 19.165 1.00 25.96 ? 524 TYR A CE1 1 ATOM 1374 C CE2 . TYR A 1 183 ? 18.733 -6.236 17.740 1.00 23.04 ? 524 TYR A CE2 1 ATOM 1375 C CZ . TYR A 1 183 ? 17.897 -5.817 18.753 1.00 25.92 ? 524 TYR A CZ 1 ATOM 1376 O OH . TYR A 1 183 ? 18.048 -4.597 19.340 1.00 30.25 ? 524 TYR A OH 1 ATOM 1377 N N . GLY A 1 184 ? 15.772 -7.301 15.334 1.00 24.09 ? 525 GLY A N 1 ATOM 1378 C CA . GLY A 1 184 ? 16.045 -6.060 14.632 1.00 25.44 ? 525 GLY A CA 1 ATOM 1379 C C . GLY A 1 184 ? 15.403 -5.900 13.263 1.00 25.48 ? 525 GLY A C 1 ATOM 1380 O O . GLY A 1 184 ? 14.598 -6.720 12.847 1.00 25.54 ? 525 GLY A O 1 ATOM 1381 N N . TYR A 1 185 ? 15.747 -4.824 12.572 1.00 25.63 ? 526 TYR A N 1 ATOM 1382 C CA . TYR A 1 185 ? 15.158 -4.580 11.260 1.00 25.44 ? 526 TYR A CA 1 ATOM 1383 C C . TYR A 1 185 ? 15.391 -5.741 10.281 1.00 25.65 ? 526 TYR A C 1 ATOM 1384 O O . TYR A 1 185 ? 14.464 -6.182 9.588 1.00 24.21 ? 526 TYR A O 1 ATOM 1385 C CB . TYR A 1 185 ? 15.710 -3.304 10.619 1.00 25.66 ? 526 TYR A CB 1 ATOM 1386 C CG . TYR A 1 185 ? 15.468 -1.991 11.364 1.00 25.84 ? 526 TYR A CG 1 ATOM 1387 C CD1 . TYR A 1 185 ? 14.193 -1.452 11.477 1.00 22.66 ? 526 TYR A CD1 1 ATOM 1388 C CD2 . TYR A 1 185 ? 16.538 -1.257 11.853 1.00 23.80 ? 526 TYR A CD2 1 ATOM 1389 C CE1 . TYR A 1 185 ? 13.982 -0.231 12.096 1.00 25.96 ? 526 TYR A CE1 1 ATOM 1390 C CE2 . TYR A 1 185 ? 16.348 -0.040 12.479 1.00 23.33 ? 526 TYR A CE2 1 ATOM 1391 C CZ . TYR A 1 185 ? 15.066 0.473 12.615 1.00 25.79 ? 526 TYR A CZ 1 ATOM 1392 O OH . TYR A 1 185 ? 14.870 1.689 13.251 1.00 26.26 ? 526 TYR A OH 1 ATOM 1393 N N . THR A 1 186 ? 16.628 -6.231 10.206 1.00 26.47 ? 527 THR A N 1 ATOM 1394 C CA . THR A 1 186 ? 16.894 -7.258 9.224 1.00 27.65 ? 527 THR A CA 1 ATOM 1395 C C . THR A 1 186 ? 16.260 -8.583 9.649 1.00 27.46 ? 527 THR A C 1 ATOM 1396 O O . THR A 1 186 ? 15.670 -9.280 8.826 1.00 27.25 ? 527 THR A O 1 ATOM 1397 C CB . THR A 1 186 ? 18.409 -7.378 8.932 1.00 28.19 ? 527 THR A CB 1 ATOM 1398 O OG1 . THR A 1 186 ? 19.072 -7.848 10.095 1.00 33.15 ? 527 THR A OG1 1 ATOM 1399 C CG2 . THR A 1 186 ? 19.007 -6.038 8.763 1.00 27.93 ? 527 THR A CG2 1 ATOM 1400 N N . GLY A 1 187 ? 16.349 -8.911 10.939 1.00 26.79 ? 528 GLY A N 1 ATOM 1401 C CA . GLY A 1 187 ? 15.784 -10.149 11.426 1.00 25.45 ? 528 GLY A CA 1 ATOM 1402 C C . GLY A 1 187 ? 14.265 -10.215 11.229 1.00 25.76 ? 528 GLY A C 1 ATOM 1403 O O . GLY A 1 187 ? 13.745 -11.254 10.829 1.00 24.76 ? 528 GLY A O 1 ATOM 1404 N N . ALA A 1 188 ? 13.572 -9.121 11.524 1.00 25.20 ? 529 ALA A N 1 ATOM 1405 C CA . ALA A 1 188 ? 12.113 -9.082 11.332 1.00 26.17 ? 529 ALA A CA 1 ATOM 1406 C C . ALA A 1 188 ? 11.802 -9.202 9.845 1.00 26.80 ? 529 ALA A C 1 ATOM 1407 O O . ALA A 1 188 ? 10.912 -9.952 9.459 1.00 27.35 ? 529 ALA A O 1 ATOM 1408 C CB . ALA A 1 188 ? 11.506 -7.811 11.923 1.00 25.71 ? 529 ALA A CB 1 ATOM 1409 N N . PHE A 1 189 ? 12.553 -8.512 8.996 1.00 26.65 ? 530 PHE A N 1 ATOM 1410 C CA . PHE A 1 189 ? 12.329 -8.684 7.568 1.00 28.30 ? 530 PHE A CA 1 ATOM 1411 C C . PHE A 1 189 ? 12.686 -10.116 7.089 1.00 28.77 ? 530 PHE A C 1 ATOM 1412 O O . PHE A 1 189 ? 12.010 -10.671 6.241 1.00 29.19 ? 530 PHE A O 1 ATOM 1413 C CB . PHE A 1 189 ? 13.038 -7.616 6.738 1.00 28.03 ? 530 PHE A CB 1 ATOM 1414 C CG . PHE A 1 189 ? 12.604 -7.599 5.295 1.00 29.95 ? 530 PHE A CG 1 ATOM 1415 C CD1 . PHE A 1 189 ? 11.303 -7.274 4.948 1.00 31.01 ? 530 PHE A CD1 1 ATOM 1416 C CD2 . PHE A 1 189 ? 13.485 -7.959 4.297 1.00 29.14 ? 530 PHE A CD2 1 ATOM 1417 C CE1 . PHE A 1 189 ? 10.895 -7.285 3.595 1.00 31.51 ? 530 PHE A CE1 1 ATOM 1418 C CE2 . PHE A 1 189 ? 13.085 -7.985 2.955 1.00 31.45 ? 530 PHE A CE2 1 ATOM 1419 C CZ . PHE A 1 189 ? 11.795 -7.637 2.611 1.00 33.12 ? 530 PHE A CZ 1 ATOM 1420 N N . ARG A 1 190 ? 13.725 -10.725 7.644 1.00 28.94 ? 531 ARG A N 1 ATOM 1421 C CA . ARG A 1 190 ? 14.028 -12.108 7.266 1.00 29.70 ? 531 ARG A CA 1 ATOM 1422 C C . ARG A 1 190 ? 12.902 -13.032 7.722 1.00 29.78 ? 531 ARG A C 1 ATOM 1423 O O . ARG A 1 190 ? 12.561 -14.012 7.051 1.00 29.31 ? 531 ARG A O 1 ATOM 1424 C CB . ARG A 1 190 ? 15.367 -12.564 7.857 1.00 29.63 ? 531 ARG A CB 1 ATOM 1425 C CG . ARG A 1 190 ? 15.682 -14.028 7.674 1.00 29.91 ? 531 ARG A CG 1 ATOM 1426 C CD . ARG A 1 190 ? 16.917 -14.469 8.464 1.00 34.10 ? 531 ARG A CD 1 ATOM 1427 N NE . ARG A 1 190 ? 17.483 -15.739 8.011 1.00 33.89 ? 531 ARG A NE 1 ATOM 1428 C CZ . ARG A 1 190 ? 18.717 -16.147 8.301 1.00 35.94 ? 531 ARG A CZ 1 ATOM 1429 N NH1 . ARG A 1 190 ? 19.512 -15.403 9.041 1.00 34.01 ? 531 ARG A NH1 1 ATOM 1430 N NH2 . ARG A 1 190 ? 19.158 -17.310 7.845 1.00 38.71 ? 531 ARG A NH2 1 ATOM 1431 N N . CYS A 1 191 ? 12.333 -12.706 8.873 1.00 30.00 ? 532 CYS A N 1 ATOM 1432 C CA . CYS A 1 191 ? 11.195 -13.451 9.405 1.00 30.40 ? 532 CYS A CA 1 ATOM 1433 C C . CYS A 1 191 ? 10.018 -13.443 8.385 1.00 31.05 ? 532 CYS A C 1 ATOM 1434 O O . CYS A 1 191 ? 9.362 -14.466 8.177 1.00 30.46 ? 532 CYS A O 1 ATOM 1435 C CB . CYS A 1 191 ? 10.826 -12.927 10.809 1.00 30.26 ? 532 CYS A CB 1 ATOM 1436 S SG . CYS A 1 191 ? 9.208 -13.387 11.510 1.00 31.25 ? 532 CYS A SG 1 ATOM 1437 N N . LEU A 1 192 ? 9.775 -12.309 7.732 1.00 31.46 ? 533 LEU A N 1 ATOM 1438 C CA . LEU A 1 192 ? 8.728 -12.234 6.718 1.00 32.01 ? 533 LEU A CA 1 ATOM 1439 C C . LEU A 1 192 ? 9.163 -12.916 5.419 1.00 32.73 ? 533 LEU A C 1 ATOM 1440 O O . LEU A 1 192 ? 8.396 -13.651 4.808 1.00 32.14 ? 533 LEU A O 1 ATOM 1441 C CB . LEU A 1 192 ? 8.331 -10.778 6.414 1.00 32.14 ? 533 LEU A CB 1 ATOM 1442 C CG . LEU A 1 192 ? 7.462 -10.566 5.168 1.00 32.20 ? 533 LEU A CG 1 ATOM 1443 C CD1 . LEU A 1 192 ? 5.951 -10.869 5.477 1.00 32.27 ? 533 LEU A CD1 1 ATOM 1444 C CD2 . LEU A 1 192 ? 7.635 -9.136 4.640 1.00 29.95 ? 533 LEU A CD2 1 ATOM 1445 N N . ALA A 1 193 ? 10.409 -12.689 5.020 1.00 33.40 ? 534 ALA A N 1 ATOM 1446 C CA . ALA A 1 193 ? 10.911 -13.218 3.757 1.00 34.50 ? 534 ALA A CA 1 ATOM 1447 C C . ALA A 1 193 ? 10.978 -14.738 3.726 1.00 35.05 ? 534 ALA A C 1 ATOM 1448 O O . ALA A 1 193 ? 10.926 -15.326 2.650 1.00 35.98 ? 534 ALA A O 1 ATOM 1449 C CB . ALA A 1 193 ? 12.262 -12.635 3.433 1.00 33.90 ? 534 ALA A CB 1 ATOM 1450 N N . GLU A 1 194 ? 11.100 -15.361 4.890 1.00 35.06 ? 535 GLU A N 1 ATOM 1451 C CA . GLU A 1 194 ? 11.160 -16.808 4.989 1.00 35.80 ? 535 GLU A CA 1 ATOM 1452 C C . GLU A 1 194 ? 9.776 -17.367 5.229 1.00 36.02 ? 535 GLU A C 1 ATOM 1453 O O . GLU A 1 194 ? 9.610 -18.576 5.406 1.00 36.93 ? 535 GLU A O 1 ATOM 1454 C CB . GLU A 1 194 ? 12.107 -17.236 6.116 1.00 36.19 ? 535 GLU A CB 1 ATOM 1455 C CG . GLU A 1 194 ? 13.558 -17.202 5.683 1.00 37.61 ? 535 GLU A CG 1 ATOM 1456 C CD . GLU A 1 194 ? 14.557 -17.497 6.794 1.00 41.12 ? 535 GLU A CD 1 ATOM 1457 O OE1 . GLU A 1 194 ? 14.169 -17.856 7.932 1.00 43.16 ? 535 GLU A OE1 1 ATOM 1458 O OE2 . GLU A 1 194 ? 15.758 -17.378 6.510 1.00 41.34 ? 535 GLU A OE2 1 ATOM 1459 N N . ASP A 1 195 ? 8.793 -16.471 5.251 1.00 35.87 ? 536 ASP A N 1 ATOM 1460 C CA . ASP A 1 195 ? 7.379 -16.809 5.458 1.00 36.24 ? 536 ASP A CA 1 ATOM 1461 C C . ASP A 1 195 ? 7.089 -17.386 6.841 1.00 35.23 ? 536 ASP A C 1 ATOM 1462 O O . ASP A 1 195 ? 6.132 -18.129 7.041 1.00 34.65 ? 536 ASP A O 1 ATOM 1463 C CB . ASP A 1 195 ? 6.844 -17.691 4.320 1.00 37.50 ? 536 ASP A CB 1 ATOM 1464 C CG . ASP A 1 195 ? 6.715 -16.913 3.007 1.00 39.16 ? 536 ASP A CG 1 ATOM 1465 O OD1 . ASP A 1 195 ? 6.448 -15.695 3.062 1.00 42.21 ? 536 ASP A OD1 1 ATOM 1466 O OD2 . ASP A 1 195 ? 6.892 -17.403 1.874 1.00 46.22 ? 536 ASP A OD2 1 ATOM 1467 N N . VAL A 1 196 ? 7.921 -17.020 7.810 1.00 33.78 ? 537 VAL A N 1 ATOM 1468 C CA . VAL A 1 196 ? 7.697 -17.462 9.174 1.00 32.17 ? 537 VAL A CA 1 ATOM 1469 C C . VAL A 1 196 ? 6.540 -16.633 9.710 1.00 31.92 ? 537 VAL A C 1 ATOM 1470 O O . VAL A 1 196 ? 5.710 -17.111 10.479 1.00 31.29 ? 537 VAL A O 1 ATOM 1471 C CB . VAL A 1 196 ? 8.967 -17.262 10.035 1.00 32.47 ? 537 VAL A CB 1 ATOM 1472 C CG1 . VAL A 1 196 ? 8.650 -17.373 11.507 1.00 30.14 ? 537 VAL A CG1 1 ATOM 1473 C CG2 . VAL A 1 196 ? 10.056 -18.263 9.624 1.00 31.51 ? 537 VAL A CG2 1 ATOM 1474 N N . GLY A 1 197 ? 6.502 -15.373 9.295 1.00 31.54 ? 538 GLY A N 1 ATOM 1475 C CA . GLY A 1 197 ? 5.438 -14.471 9.680 1.00 31.63 ? 538 GLY A CA 1 ATOM 1476 C C . GLY A 1 197 ? 4.683 -13.978 8.460 1.00 31.74 ? 538 GLY A C 1 ATOM 1477 O O . GLY A 1 197 ? 5.159 -14.115 7.333 1.00 32.44 ? 538 GLY A O 1 ATOM 1478 N N . ASP A 1 198 ? 3.498 -13.424 8.699 1.00 31.28 ? 539 ASP A N 1 ATOM 1479 C CA . ASP A 1 198 ? 2.659 -12.803 7.679 1.00 31.21 ? 539 ASP A CA 1 ATOM 1480 C C . ASP A 1 198 ? 2.953 -11.310 7.462 1.00 30.54 ? 539 ASP A C 1 ATOM 1481 O O . ASP A 1 198 ? 2.795 -10.788 6.354 1.00 30.53 ? 539 ASP A O 1 ATOM 1482 C CB . ASP A 1 198 ? 1.204 -12.901 8.126 1.00 31.72 ? 539 ASP A CB 1 ATOM 1483 C CG . ASP A 1 198 ? 0.705 -14.310 8.140 1.00 32.83 ? 539 ASP A CG 1 ATOM 1484 O OD1 . ASP A 1 198 ? 0.981 -15.018 7.161 1.00 37.50 ? 539 ASP A OD1 1 ATOM 1485 O OD2 . ASP A 1 198 ? 0.033 -14.808 9.082 1.00 37.09 ? 539 ASP A OD2 1 ATOM 1486 N N . VAL A 1 199 ? 3.344 -10.620 8.533 1.00 30.11 ? 540 VAL A N 1 ATOM 1487 C CA . VAL A 1 199 ? 3.626 -9.195 8.464 1.00 29.65 ? 540 VAL A CA 1 ATOM 1488 C C . VAL A 1 199 ? 4.898 -8.873 9.239 1.00 29.89 ? 540 VAL A C 1 ATOM 1489 O O . VAL A 1 199 ? 5.176 -9.478 10.291 1.00 30.97 ? 540 VAL A O 1 ATOM 1490 C CB . VAL A 1 199 ? 2.454 -8.342 9.013 1.00 29.72 ? 540 VAL A CB 1 ATOM 1491 C CG1 . VAL A 1 199 ? 2.149 -8.691 10.460 1.00 28.71 ? 540 VAL A CG1 1 ATOM 1492 C CG2 . VAL A 1 199 ? 2.794 -6.851 8.903 1.00 27.82 ? 540 VAL A CG2 1 ATOM 1493 N N . ALA A 1 200 ? 5.683 -7.938 8.724 1.00 28.99 ? 541 ALA A N 1 ATOM 1494 C CA . ALA A 1 200 ? 6.875 -7.516 9.450 1.00 28.36 ? 541 ALA A CA 1 ATOM 1495 C C . ALA A 1 200 ? 6.784 -6.009 9.698 1.00 28.10 ? 541 ALA A C 1 ATOM 1496 O O . ALA A 1 200 ? 6.469 -5.234 8.796 1.00 27.79 ? 541 ALA A O 1 ATOM 1497 C CB . ALA A 1 200 ? 8.152 -7.859 8.677 1.00 28.00 ? 541 ALA A CB 1 ATOM 1498 N N . PHE A 1 201 ? 7.051 -5.600 10.931 1.00 26.59 ? 542 PHE A N 1 ATOM 1499 C CA . PHE A 1 201 ? 7.020 -4.183 11.272 1.00 26.48 ? 542 PHE A CA 1 ATOM 1500 C C . PHE A 1 201 ? 8.454 -3.666 11.318 1.00 26.69 ? 542 PHE A C 1 ATOM 1501 O O . PHE A 1 201 ? 9.172 -3.903 12.283 1.00 25.39 ? 542 PHE A O 1 ATOM 1502 C CB . PHE A 1 201 ? 6.317 -4.018 12.608 1.00 25.26 ? 542 PHE A CB 1 ATOM 1503 C CG . PHE A 1 201 ? 4.861 -4.420 12.556 1.00 26.16 ? 542 PHE A CG 1 ATOM 1504 C CD1 . PHE A 1 201 ? 3.934 -3.629 11.876 1.00 27.43 ? 542 PHE A CD1 1 ATOM 1505 C CD2 . PHE A 1 201 ? 4.431 -5.581 13.145 1.00 24.34 ? 542 PHE A CD2 1 ATOM 1506 C CE1 . PHE A 1 201 ? 2.582 -4.008 11.818 1.00 25.20 ? 542 PHE A CE1 1 ATOM 1507 C CE2 . PHE A 1 201 ? 3.084 -5.968 13.088 1.00 27.28 ? 542 PHE A CE2 1 ATOM 1508 C CZ . PHE A 1 201 ? 2.167 -5.176 12.419 1.00 23.19 ? 542 PHE A CZ 1 ATOM 1509 N N . VAL A 1 202 ? 8.856 -2.988 10.244 1.00 27.84 ? 543 VAL A N 1 ATOM 1510 C CA . VAL A 1 202 ? 10.210 -2.488 10.098 1.00 29.12 ? 543 VAL A CA 1 ATOM 1511 C C . VAL A 1 202 ? 10.217 -1.068 9.582 1.00 29.76 ? 543 VAL A C 1 ATOM 1512 O O . VAL A 1 202 ? 9.287 -0.321 9.809 1.00 31.40 ? 543 VAL A O 1 ATOM 1513 C CB . VAL A 1 202 ? 11.007 -3.360 9.128 1.00 28.67 ? 543 VAL A CB 1 ATOM 1514 C CG1 . VAL A 1 202 ? 11.281 -4.704 9.764 1.00 30.15 ? 543 VAL A CG1 1 ATOM 1515 C CG2 . VAL A 1 202 ? 10.261 -3.535 7.795 1.00 28.15 ? 543 VAL A CG2 1 ATOM 1516 N N . LYS A 1 203 ? 11.282 -0.692 8.889 1.00 31.26 ? 544 LYS A N 1 ATOM 1517 C CA . LYS A 1 203 ? 11.333 0.661 8.250 1.00 31.35 ? 544 LYS A CA 1 ATOM 1518 C C . LYS A 1 203 ? 11.481 0.536 6.731 1.00 31.49 ? 544 LYS A C 1 ATOM 1519 O O . LYS A 1 203 ? 11.847 -0.535 6.239 1.00 31.05 ? 544 LYS A O 1 ATOM 1520 C CB . LYS A 1 203 ? 12.393 1.551 8.911 1.00 31.41 ? 544 LYS A CB 1 ATOM 1521 C CG . LYS A 1 203 ? 13.811 1.306 8.418 1.00 32.29 ? 544 LYS A CG 1 ATOM 1522 C CD . LYS A 1 203 ? 14.813 2.062 9.266 1.00 32.64 ? 544 LYS A CD 1 ATOM 1523 C CE . LYS A 1 203 ? 16.200 1.488 9.042 1.00 33.49 ? 544 LYS A CE 1 ATOM 1524 N NZ . LYS A 1 203 ? 17.245 2.314 9.703 1.00 35.25 ? 544 LYS A NZ 1 ATOM 1525 N N . ASN A 1 204 ? 11.151 1.623 5.977 1.00 31.74 ? 545 ASN A N 1 ATOM 1526 C CA . ASN A 1 204 ? 11.226 1.642 4.475 1.00 33.33 ? 545 ASN A CA 1 ATOM 1527 C C . ASN A 1 204 ? 12.541 1.093 4.002 1.00 33.75 ? 545 ASN A C 1 ATOM 1528 O O . ASN A 1 204 ? 12.607 0.189 3.176 1.00 34.06 ? 545 ASN A O 1 ATOM 1529 C CB . ASN A 1 204 ? 11.100 3.043 3.847 1.00 33.24 ? 545 ASN A CB 1 ATOM 1530 C CG . ASN A 1 204 ? 11.562 3.125 2.360 1.00 35.19 ? 545 ASN A CG 1 ATOM 1531 O OD1 . ASN A 1 204 ? 11.093 2.364 1.503 1.00 37.60 ? 545 ASN A OD1 1 ATOM 1532 N ND2 . ASN A 1 204 ? 12.486 4.035 2.074 1.00 36.12 ? 545 ASN A ND2 1 ATOM 1533 N N . ASP A 1 205 ? 13.590 1.673 4.534 1.00 33.45 ? 546 ASP A N 1 ATOM 1534 C CA . ASP A 1 205 ? 14.942 1.340 4.207 1.00 34.67 ? 546 ASP A CA 1 ATOM 1535 C C . ASP A 1 205 ? 15.262 -0.166 4.254 1.00 33.70 ? 546 ASP A C 1 ATOM 1536 O O . ASP A 1 205 ? 16.006 -0.667 3.420 1.00 33.81 ? 546 ASP A O 1 ATOM 1537 C CB . ASP A 1 205 ? 15.862 2.119 5.162 1.00 34.91 ? 546 ASP A CB 1 ATOM 1538 C CG . ASP A 1 205 ? 15.576 3.603 5.140 1.00 39.46 ? 546 ASP A CG 1 ATOM 1539 O OD1 . ASP A 1 205 ? 16.181 4.270 4.284 1.00 44.23 ? 546 ASP A OD1 1 ATOM 1540 O OD2 . ASP A 1 205 ? 14.751 4.080 5.945 1.00 43.28 ? 546 ASP A OD2 1 ATOM 1541 N N . THR A 1 206 ? 14.710 -0.859 5.233 1.00 33.18 ? 547 THR A N 1 ATOM 1542 C CA . THR A 1 206 ? 15.011 -2.280 5.395 1.00 32.19 ? 547 THR A CA 1 ATOM 1543 C C . THR A 1 206 ? 14.646 -3.099 4.168 1.00 32.96 ? 547 THR A C 1 ATOM 1544 O O . THR A 1 206 ? 15.382 -3.994 3.769 1.00 31.82 ? 547 THR A O 1 ATOM 1545 C CB . THR A 1 206 ? 14.244 -2.842 6.589 1.00 31.83 ? 547 THR A CB 1 ATOM 1546 O OG1 . THR A 1 206 ? 14.542 -2.053 7.749 1.00 30.46 ? 547 THR A OG1 1 ATOM 1547 C CG2 . THR A 1 206 ? 14.721 -4.283 6.920 1.00 29.09 ? 547 THR A CG2 1 ATOM 1548 N N . VAL A 1 207 ? 13.471 -2.818 3.629 1.00 33.74 ? 548 VAL A N 1 ATOM 1549 C CA . VAL A 1 207 ? 12.971 -3.535 2.476 1.00 35.30 ? 548 VAL A CA 1 ATOM 1550 C C . VAL A 1 207 ? 13.904 -3.330 1.293 1.00 36.22 ? 548 VAL A C 1 ATOM 1551 O O . VAL A 1 207 ? 14.313 -4.293 0.671 1.00 36.65 ? 548 VAL A O 1 ATOM 1552 C CB . VAL A 1 207 ? 11.537 -3.109 2.137 1.00 35.55 ? 548 VAL A CB 1 ATOM 1553 C CG1 . VAL A 1 207 ? 10.963 -4.054 1.088 1.00 35.44 ? 548 VAL A CG1 1 ATOM 1554 C CG2 . VAL A 1 207 ? 10.686 -3.180 3.394 1.00 35.30 ? 548 VAL A CG2 1 ATOM 1555 N N . TRP A 1 208 ? 14.269 -2.088 1.011 1.00 37.40 ? 549 TRP A N 1 ATOM 1556 C CA . TRP A 1 208 ? 15.174 -1.780 -0.093 1.00 39.18 ? 549 TRP A CA 1 ATOM 1557 C C . TRP A 1 208 ? 16.564 -2.394 0.076 1.00 39.58 ? 549 TRP A C 1 ATOM 1558 O O . TRP A 1 208 ? 17.134 -2.927 -0.878 1.00 39.52 ? 549 TRP A O 1 ATOM 1559 C CB . TRP A 1 208 ? 15.305 -0.252 -0.249 1.00 39.56 ? 549 TRP A CB 1 ATOM 1560 C CG . TRP A 1 208 ? 14.081 0.370 -0.815 1.00 42.16 ? 549 TRP A CG 1 ATOM 1561 C CD1 . TRP A 1 208 ? 12.904 0.600 -0.171 1.00 42.69 ? 549 TRP A CD1 1 ATOM 1562 C CD2 . TRP A 1 208 ? 13.898 0.823 -2.157 1.00 45.84 ? 549 TRP A CD2 1 ATOM 1563 N NE1 . TRP A 1 208 ? 11.998 1.175 -1.027 1.00 45.38 ? 549 TRP A NE1 1 ATOM 1564 C CE2 . TRP A 1 208 ? 12.586 1.329 -2.255 1.00 47.27 ? 549 TRP A CE2 1 ATOM 1565 C CE3 . TRP A 1 208 ? 14.719 0.872 -3.289 1.00 47.86 ? 549 TRP A CE3 1 ATOM 1566 C CZ2 . TRP A 1 208 ? 12.075 1.866 -3.439 1.00 48.52 ? 549 TRP A CZ2 1 ATOM 1567 C CZ3 . TRP A 1 208 ? 14.208 1.407 -4.463 1.00 48.38 ? 549 TRP A CZ3 1 ATOM 1568 C CH2 . TRP A 1 208 ? 12.903 1.897 -4.527 1.00 48.79 ? 549 TRP A CH2 1 ATOM 1569 N N . GLU A 1 209 ? 17.090 -2.340 1.299 1.00 39.81 ? 550 GLU A N 1 ATOM 1570 C CA . GLU A 1 209 ? 18.458 -2.769 1.592 1.00 40.20 ? 550 GLU A CA 1 ATOM 1571 C C . GLU A 1 209 ? 18.601 -4.278 1.598 1.00 40.16 ? 550 GLU A C 1 ATOM 1572 O O . GLU A 1 209 ? 19.707 -4.830 1.597 1.00 39.87 ? 550 GLU A O 1 ATOM 1573 C CB . GLU A 1 209 ? 18.943 -2.134 2.911 1.00 40.92 ? 550 GLU A CB 1 ATOM 1574 C CG . GLU A 1 209 ? 19.295 -0.654 2.758 1.00 42.71 ? 550 GLU A CG 1 ATOM 1575 C CD . GLU A 1 209 ? 19.187 0.177 4.038 1.00 46.72 ? 550 GLU A CD 1 ATOM 1576 O OE1 . GLU A 1 209 ? 19.221 -0.389 5.164 1.00 47.45 ? 550 GLU A OE1 1 ATOM 1577 O OE2 . GLU A 1 209 ? 19.071 1.425 3.906 1.00 48.28 ? 550 GLU A OE2 1 ATOM 1578 N N . ASN A 1 210 ? 17.469 -4.961 1.576 1.00 39.57 ? 551 ASN A N 1 ATOM 1579 C CA . ASN A 1 210 ? 17.529 -6.408 1.562 1.00 40.31 ? 551 ASN A CA 1 ATOM 1580 C C . ASN A 1 210 ? 16.860 -7.067 0.356 1.00 40.37 ? 551 ASN A C 1 ATOM 1581 O O . ASN A 1 210 ? 16.514 -8.229 0.399 1.00 40.16 ? 551 ASN A O 1 ATOM 1582 C CB . ASN A 1 210 ? 17.032 -7.002 2.888 1.00 39.97 ? 551 ASN A CB 1 ATOM 1583 C CG . ASN A 1 210 ? 17.897 -6.575 4.072 1.00 40.40 ? 551 ASN A CG 1 ATOM 1584 O OD1 . ASN A 1 210 ? 18.957 -7.143 4.309 1.00 41.23 ? 551 ASN A OD1 1 ATOM 1585 N ND2 . ASN A 1 210 ? 17.462 -5.551 4.792 1.00 37.83 ? 551 ASN A ND2 1 ATOM 1586 N N . THR A 1 211 ? 16.687 -6.310 -0.722 1.00 41.19 ? 552 THR A N 1 ATOM 1587 C CA . THR A 1 211 ? 16.116 -6.859 -1.949 1.00 42.07 ? 552 THR A CA 1 ATOM 1588 C C . THR A 1 211 ? 16.906 -6.460 -3.201 1.00 42.93 ? 552 THR A C 1 ATOM 1589 O O . THR A 1 211 ? 17.821 -5.634 -3.136 1.00 42.51 ? 552 THR A O 1 ATOM 1590 C CB . THR A 1 211 ? 14.654 -6.421 -2.103 1.00 42.15 ? 552 THR A CB 1 ATOM 1591 O OG1 . THR A 1 211 ? 14.575 -4.997 -1.961 1.00 41.70 ? 552 THR A OG1 1 ATOM 1592 C CG2 . THR A 1 211 ? 13.790 -6.969 -0.953 1.00 41.01 ? 552 THR A CG2 1 ATOM 1593 N N . ASN A 1 212 ? 16.550 -7.062 -4.335 1.00 44.67 ? 553 ASN A N 1 ATOM 1594 C CA . ASN A 1 212 ? 17.191 -6.764 -5.627 1.00 45.95 ? 553 ASN A CA 1 ATOM 1595 C C . ASN A 1 212 ? 18.718 -6.745 -5.573 1.00 46.76 ? 553 ASN A C 1 ATOM 1596 O O . ASN A 1 212 ? 19.359 -5.826 -6.090 1.00 47.34 ? 553 ASN A O 1 ATOM 1597 C CB . ASN A 1 212 ? 16.650 -5.454 -6.206 1.00 45.93 ? 553 ASN A CB 1 ATOM 1598 C CG . ASN A 1 212 ? 15.169 -5.544 -6.560 1.00 47.74 ? 553 ASN A CG 1 ATOM 1599 O OD1 . ASN A 1 212 ? 14.418 -6.314 -5.947 1.00 48.52 ? 553 ASN A OD1 1 ATOM 1600 N ND2 . ASN A 1 212 ? 14.743 -4.767 -7.550 1.00 48.54 ? 553 ASN A ND2 1 ATOM 1601 N N . GLY A 1 213 ? 19.297 -7.758 -4.944 1.00 47.61 ? 554 GLY A N 1 ATOM 1602 C CA . GLY A 1 213 ? 20.741 -7.868 -4.851 1.00 48.55 ? 554 GLY A CA 1 ATOM 1603 C C . GLY A 1 213 ? 21.410 -6.904 -3.886 1.00 49.34 ? 554 GLY A C 1 ATOM 1604 O O . GLY A 1 213 ? 22.637 -6.881 -3.781 1.00 49.23 ? 554 GLY A O 1 ATOM 1605 N N . GLU A 1 214 ? 20.624 -6.102 -3.174 1.00 49.92 ? 555 GLU A N 1 ATOM 1606 C CA . GLU A 1 214 ? 21.219 -5.169 -2.219 1.00 50.83 ? 555 GLU A CA 1 ATOM 1607 C C . GLU A 1 214 ? 21.863 -5.916 -1.052 1.00 51.03 ? 555 GLU A C 1 ATOM 1608 O O . GLU A 1 214 ? 22.727 -5.382 -0.362 1.00 51.24 ? 555 GLU A O 1 ATOM 1609 C CB . GLU A 1 214 ? 20.217 -4.115 -1.737 1.00 50.94 ? 555 GLU A CB 1 ATOM 1610 C CG . GLU A 1 214 ? 19.849 -3.072 -2.783 1.00 52.17 ? 555 GLU A CG 1 ATOM 1611 C CD . GLU A 1 214 ? 21.044 -2.254 -3.253 1.00 55.82 ? 555 GLU A CD 1 ATOM 1612 O OE1 . GLU A 1 214 ? 21.795 -1.733 -2.396 1.00 56.94 ? 555 GLU A OE1 1 ATOM 1613 O OE2 . GLU A 1 214 ? 21.243 -2.130 -4.485 1.00 56.89 ? 555 GLU A OE2 1 ATOM 1614 N N . SER A 1 215 ? 21.457 -7.162 -0.838 1.00 51.31 ? 556 SER A N 1 ATOM 1615 C CA . SER A 1 215 ? 22.105 -7.979 0.178 1.00 51.52 ? 556 SER A CA 1 ATOM 1616 C C . SER A 1 215 ? 22.593 -9.297 -0.422 1.00 51.68 ? 556 SER A C 1 ATOM 1617 O O . SER A 1 215 ? 21.872 -9.940 -1.178 1.00 51.55 ? 556 SER A O 1 ATOM 1618 C CB . SER A 1 215 ? 21.174 -8.230 1.364 1.00 51.38 ? 556 SER A CB 1 ATOM 1619 O OG . SER A 1 215 ? 21.599 -9.368 2.106 1.00 51.65 ? 556 SER A OG 1 ATOM 1620 N N . THR A 1 216 ? 23.824 -9.680 -0.096 1.00 51.84 ? 557 THR A N 1 ATOM 1621 C CA . THR A 1 216 ? 24.386 -10.933 -0.590 1.00 52.42 ? 557 THR A CA 1 ATOM 1622 C C . THR A 1 216 ? 24.030 -12.107 0.311 1.00 52.52 ? 557 THR A C 1 ATOM 1623 O O . THR A 1 216 ? 24.199 -13.272 -0.072 1.00 52.61 ? 557 THR A O 1 ATOM 1624 C CB . THR A 1 216 ? 25.922 -10.852 -0.742 1.00 52.47 ? 557 THR A CB 1 ATOM 1625 O OG1 . THR A 1 216 ? 26.516 -10.534 0.524 1.00 53.23 ? 557 THR A OG1 1 ATOM 1626 C CG2 . THR A 1 216 ? 26.315 -9.689 -1.626 1.00 52.68 ? 557 THR A CG2 1 ATOM 1627 N N . ALA A 1 217 ? 23.535 -11.815 1.510 1.00 52.27 ? 558 ALA A N 1 ATOM 1628 C CA . ALA A 1 217 ? 23.151 -12.880 2.438 1.00 52.06 ? 558 ALA A CA 1 ATOM 1629 C C . ALA A 1 217 ? 22.223 -13.904 1.774 1.00 51.87 ? 558 ALA A C 1 ATOM 1630 O O . ALA A 1 217 ? 21.388 -13.555 0.930 1.00 52.01 ? 558 ALA A O 1 ATOM 1631 C CB . ALA A 1 217 ? 22.514 -12.289 3.692 1.00 52.29 ? 558 ALA A CB 1 ATOM 1632 N N . ASP A 1 218 ? 22.369 -15.162 2.184 1.00 51.57 ? 559 ASP A N 1 ATOM 1633 C CA . ASP A 1 218 ? 21.660 -16.288 1.577 1.00 51.28 ? 559 ASP A CA 1 ATOM 1634 C C . ASP A 1 218 ? 20.131 -16.239 1.539 1.00 50.67 ? 559 ASP A C 1 ATOM 1635 O O . ASP A 1 218 ? 19.508 -16.711 0.583 1.00 50.70 ? 559 ASP A O 1 ATOM 1636 C CB . ASP A 1 218 ? 22.091 -17.598 2.242 1.00 52.08 ? 559 ASP A CB 1 ATOM 1637 C CG . ASP A 1 218 ? 21.830 -18.791 1.366 1.00 54.07 ? 559 ASP A CG 1 ATOM 1638 O OD1 . ASP A 1 218 ? 21.414 -19.866 1.873 1.00 56.94 ? 559 ASP A OD1 1 ATOM 1639 O OD2 . ASP A 1 218 ? 22.020 -18.745 0.135 1.00 56.29 ? 559 ASP A OD2 1 ATOM 1640 N N . TRP A 1 219 ? 19.519 -15.685 2.576 1.00 49.36 ? 560 TRP A N 1 ATOM 1641 C CA . TRP A 1 219 ? 18.067 -15.665 2.628 1.00 48.14 ? 560 TRP A CA 1 ATOM 1642 C C . TRP A 1 219 ? 17.560 -14.480 1.827 1.00 47.81 ? 560 TRP A C 1 ATOM 1643 O O . TRP A 1 219 ? 16.380 -14.406 1.487 1.00 47.64 ? 560 TRP A O 1 ATOM 1644 C CB . TRP A 1 219 ? 17.590 -15.562 4.078 1.00 47.57 ? 560 TRP A CB 1 ATOM 1645 C CG . TRP A 1 219 ? 18.048 -14.313 4.748 1.00 45.07 ? 560 TRP A CG 1 ATOM 1646 C CD1 . TRP A 1 219 ? 19.183 -14.148 5.482 1.00 43.42 ? 560 TRP A CD1 1 ATOM 1647 C CD2 . TRP A 1 219 ? 17.397 -13.037 4.725 1.00 43.20 ? 560 TRP A CD2 1 ATOM 1648 N NE1 . TRP A 1 219 ? 19.274 -12.851 5.924 1.00 43.55 ? 560 TRP A NE1 1 ATOM 1649 C CE2 . TRP A 1 219 ? 18.185 -12.150 5.478 1.00 42.65 ? 560 TRP A CE2 1 ATOM 1650 C CE3 . TRP A 1 219 ? 16.211 -12.558 4.162 1.00 43.45 ? 560 TRP A CE3 1 ATOM 1651 C CZ2 . TRP A 1 219 ? 17.835 -10.821 5.671 1.00 43.28 ? 560 TRP A CZ2 1 ATOM 1652 C CZ3 . TRP A 1 219 ? 15.867 -11.229 4.356 1.00 43.31 ? 560 TRP A CZ3 1 ATOM 1653 C CH2 . TRP A 1 219 ? 16.668 -10.383 5.105 1.00 43.05 ? 560 TRP A CH2 1 ATOM 1654 N N . ALA A 1 220 ? 18.480 -13.578 1.500 1.00 47.82 ? 561 ALA A N 1 ATOM 1655 C CA . ALA A 1 220 ? 18.149 -12.300 0.869 1.00 48.30 ? 561 ALA A CA 1 ATOM 1656 C C . ALA A 1 220 ? 18.566 -12.175 -0.603 1.00 48.88 ? 561 ALA A C 1 ATOM 1657 O O . ALA A 1 220 ? 17.954 -11.423 -1.366 1.00 48.56 ? 561 ALA A O 1 ATOM 1658 C CB . ALA A 1 220 ? 18.747 -11.183 1.681 1.00 47.90 ? 561 ALA A CB 1 ATOM 1659 N N . LYS A 1 221 ? 19.611 -12.905 -0.981 1.00 49.63 ? 562 LYS A N 1 ATOM 1660 C CA . LYS A 1 221 ? 20.116 -12.918 -2.362 1.00 50.48 ? 562 LYS A CA 1 ATOM 1661 C C . LYS A 1 221 ? 19.028 -12.845 -3.403 1.00 50.41 ? 562 LYS A C 1 ATOM 1662 O O . LYS A 1 221 ? 19.087 -12.051 -4.336 1.00 50.91 ? 562 LYS A O 1 ATOM 1663 C CB . LYS A 1 221 ? 20.804 -14.255 -2.679 1.00 50.59 ? 562 LYS A CB 1 ATOM 1664 C CG . LYS A 1 221 ? 21.997 -14.664 -1.852 1.00 52.35 ? 562 LYS A CG 1 ATOM 1665 C CD . LYS A 1 221 ? 22.483 -16.052 -2.320 1.00 54.99 ? 562 LYS A CD 1 ATOM 1666 C CE . LYS A 1 221 ? 21.305 -17.008 -2.563 1.00 55.08 ? 562 LYS A CE 1 ATOM 1667 N NZ . LYS A 1 221 ? 21.692 -18.241 -3.316 1.00 57.18 ? 562 LYS A NZ 1 ATOM 1668 N N . ASN A 1 222 ? 18.044 -13.719 -3.252 1.00 50.69 ? 563 ASN A N 1 ATOM 1669 C CA . ASN A 1 222 ? 17.053 -13.931 -4.288 1.00 50.66 ? 563 ASN A CA 1 ATOM 1670 C C . ASN A 1 222 ? 15.772 -13.155 -4.096 1.00 50.20 ? 563 ASN A C 1 ATOM 1671 O O . ASN A 1 222 ? 14.789 -13.405 -4.790 1.00 50.10 ? 563 ASN A O 1 ATOM 1672 C CB . ASN A 1 222 ? 16.714 -15.423 -4.346 1.00 51.61 ? 563 ASN A CB 1 ATOM 1673 C CG . ASN A 1 222 ? 16.993 -16.042 -5.700 1.00 51.89 ? 563 ASN A CG 1 ATOM 1674 O OD1 . ASN A 1 222 ? 16.847 -15.402 -6.737 1.00 52.99 ? 563 ASN A OD1 1 ATOM 1675 N ND2 . ASN A 1 222 ? 17.398 -17.301 -5.691 1.00 52.79 ? 563 ASN A ND2 1 ATOM 1676 N N . LEU A 1 223 ? 15.771 -12.218 -3.156 1.00 49.44 ? 564 LEU A N 1 ATOM 1677 C CA . LEU A 1 223 ? 14.559 -11.466 -2.880 1.00 48.41 ? 564 LEU A CA 1 ATOM 1678 C C . LEU A 1 223 ? 14.330 -10.307 -3.865 1.00 48.31 ? 564 LEU A C 1 ATOM 1679 O O . LEU A 1 223 ? 15.259 -9.588 -4.229 1.00 47.38 ? 564 LEU A O 1 ATOM 1680 C CB . LEU A 1 223 ? 14.579 -10.945 -1.441 1.00 48.57 ? 564 LEU A CB 1 ATOM 1681 C CG . LEU A 1 223 ? 14.585 -11.937 -0.270 1.00 48.23 ? 564 LEU A CG 1 ATOM 1682 C CD1 . LEU A 1 223 ? 14.418 -11.168 1.037 1.00 47.86 ? 564 LEU A CD1 1 ATOM 1683 C CD2 . LEU A 1 223 ? 13.507 -12.993 -0.408 1.00 47.07 ? 564 LEU A CD2 1 ATOM 1684 N N . LYS A 1 224 ? 13.076 -10.125 -4.269 1.00 48.20 ? 565 LYS A N 1 ATOM 1685 C CA . LYS A 1 224 ? 12.712 -9.064 -5.196 1.00 48.62 ? 565 LYS A CA 1 ATOM 1686 C C . LYS A 1 224 ? 11.624 -8.146 -4.624 1.00 48.40 ? 565 LYS A C 1 ATOM 1687 O O . LYS A 1 224 ? 10.641 -8.620 -4.072 1.00 48.28 ? 565 LYS A O 1 ATOM 1688 C CB . LYS A 1 224 ? 12.242 -9.682 -6.516 1.00 49.01 ? 565 LYS A CB 1 ATOM 1689 C CG . LYS A 1 224 ? 12.436 -8.767 -7.709 1.00 50.31 ? 565 LYS A CG 1 ATOM 1690 C CD . LYS A 1 224 ? 11.276 -7.812 -7.861 1.00 50.58 ? 565 LYS A CD 1 ATOM 1691 C CE . LYS A 1 224 ? 11.752 -6.393 -8.144 1.00 51.31 ? 565 LYS A CE 1 ATOM 1692 N NZ . LYS A 1 224 ? 10.671 -5.541 -8.699 1.00 51.77 ? 565 LYS A NZ 1 ATOM 1693 N N . ARG A 1 225 ? 11.789 -6.836 -4.787 1.00 48.43 ? 566 ARG A N 1 ATOM 1694 C CA . ARG A 1 225 ? 10.847 -5.853 -4.240 1.00 48.44 ? 566 ARG A CA 1 ATOM 1695 C C . ARG A 1 225 ? 9.403 -6.005 -4.680 1.00 48.29 ? 566 ARG A C 1 ATOM 1696 O O . ARG A 1 225 ? 8.480 -5.748 -3.907 1.00 47.89 ? 566 ARG A O 1 ATOM 1697 C CB . ARG A 1 225 ? 11.306 -4.439 -4.575 1.00 48.74 ? 566 ARG A CB 1 ATOM 1698 C CG . ARG A 1 225 ? 12.401 -3.961 -3.687 1.00 49.34 ? 566 ARG A CG 1 ATOM 1699 C CD . ARG A 1 225 ? 13.139 -2.761 -4.198 1.00 49.05 ? 566 ARG A CD 1 ATOM 1700 N NE . ARG A 1 225 ? 14.480 -2.739 -3.628 1.00 50.32 ? 566 ARG A NE 1 ATOM 1701 C CZ . ARG A 1 225 ? 15.548 -2.324 -4.283 1.00 49.99 ? 566 ARG A CZ 1 ATOM 1702 N NH1 . ARG A 1 225 ? 15.426 -1.897 -5.530 1.00 49.34 ? 566 ARG A NH1 1 ATOM 1703 N NH2 . ARG A 1 225 ? 16.737 -2.331 -3.696 1.00 51.17 ? 566 ARG A NH2 1 ATOM 1704 N N . GLU A 1 226 ? 9.201 -6.415 -5.928 1.00 48.02 ? 567 GLU A N 1 ATOM 1705 C CA . GLU A 1 226 ? 7.856 -6.591 -6.437 1.00 47.78 ? 567 GLU A CA 1 ATOM 1706 C C . GLU A 1 226 ? 7.159 -7.719 -5.693 1.00 46.47 ? 567 GLU A C 1 ATOM 1707 O O . GLU A 1 226 ? 5.938 -7.821 -5.701 1.00 46.49 ? 567 GLU A O 1 ATOM 1708 C CB . GLU A 1 226 ? 7.866 -6.838 -7.953 1.00 48.57 ? 567 GLU A CB 1 ATOM 1709 C CG . GLU A 1 226 ? 6.535 -7.306 -8.536 1.00 51.06 ? 567 GLU A CG 1 ATOM 1710 C CD . GLU A 1 226 ? 5.429 -6.264 -8.486 1.00 54.71 ? 567 GLU A CD 1 ATOM 1711 O OE1 . GLU A 1 226 ? 5.710 -5.079 -8.167 1.00 56.35 ? 567 GLU A OE1 1 ATOM 1712 O OE2 . GLU A 1 226 ? 4.261 -6.637 -8.767 1.00 55.00 ? 567 GLU A OE2 1 ATOM 1713 N N . ASP A 1 227 ? 7.929 -8.565 -5.027 1.00 44.75 ? 568 ASP A N 1 ATOM 1714 C CA . ASP A 1 227 ? 7.315 -9.666 -4.294 1.00 43.76 ? 568 ASP A CA 1 ATOM 1715 C C . ASP A 1 227 ? 6.777 -9.230 -2.923 1.00 42.62 ? 568 ASP A C 1 ATOM 1716 O O . ASP A 1 227 ? 6.224 -10.032 -2.171 1.00 42.20 ? 568 ASP A O 1 ATOM 1717 C CB . ASP A 1 227 ? 8.297 -10.828 -4.163 1.00 43.99 ? 568 ASP A CB 1 ATOM 1718 C CG . ASP A 1 227 ? 8.646 -11.445 -5.515 1.00 44.80 ? 568 ASP A CG 1 ATOM 1719 O OD1 . ASP A 1 227 ? 8.003 -11.083 -6.521 1.00 43.96 ? 568 ASP A OD1 1 ATOM 1720 O OD2 . ASP A 1 227 ? 9.547 -12.291 -5.668 1.00 46.44 ? 568 ASP A OD2 1 ATOM 1721 N N . PHE A 1 228 ? 6.900 -7.939 -2.630 1.00 41.16 ? 569 PHE A N 1 ATOM 1722 C CA . PHE A 1 228 ? 6.518 -7.417 -1.329 1.00 39.61 ? 569 PHE A CA 1 ATOM 1723 C C . PHE A 1 228 ? 5.539 -6.255 -1.466 1.00 38.70 ? 569 PHE A C 1 ATOM 1724 O O . PHE A 1 228 ? 5.482 -5.619 -2.509 1.00 38.68 ? 569 PHE A O 1 ATOM 1725 C CB . PHE A 1 228 ? 7.791 -6.991 -0.569 1.00 39.33 ? 569 PHE A CB 1 ATOM 1726 C CG . PHE A 1 228 ? 8.703 -8.138 -0.227 1.00 38.64 ? 569 PHE A CG 1 ATOM 1727 C CD1 . PHE A 1 228 ? 8.525 -8.852 0.946 1.00 37.91 ? 569 PHE A CD1 1 ATOM 1728 C CD2 . PHE A 1 228 ? 9.739 -8.504 -1.072 1.00 40.29 ? 569 PHE A CD2 1 ATOM 1729 C CE1 . PHE A 1 228 ? 9.357 -9.916 1.274 1.00 37.41 ? 569 PHE A CE1 1 ATOM 1730 C CE2 . PHE A 1 228 ? 10.581 -9.577 -0.754 1.00 39.53 ? 569 PHE A CE2 1 ATOM 1731 C CZ . PHE A 1 228 ? 10.384 -10.284 0.423 1.00 39.63 ? 569 PHE A CZ 1 ATOM 1732 N N . ARG A 1 229 ? 4.748 -6.004 -0.429 1.00 37.90 ? 570 ARG A N 1 ATOM 1733 C CA . ARG A 1 229 ? 3.822 -4.877 -0.412 1.00 37.36 ? 570 ARG A CA 1 ATOM 1734 C C . ARG A 1 229 ? 3.750 -4.200 0.959 1.00 36.62 ? 570 ARG A C 1 ATOM 1735 O O . ARG A 1 229 ? 3.879 -4.863 1.990 1.00 36.15 ? 570 ARG A O 1 ATOM 1736 C CB . ARG A 1 229 ? 2.420 -5.341 -0.795 1.00 37.67 ? 570 ARG A CB 1 ATOM 1737 C CG . ARG A 1 229 ? 2.311 -5.804 -2.247 1.00 38.74 ? 570 ARG A CG 1 ATOM 1738 C CD . ARG A 1 229 ? 2.167 -4.675 -3.245 1.00 43.64 ? 570 ARG A CD 1 ATOM 1739 N NE . ARG A 1 229 ? 1.868 -5.187 -4.580 1.00 47.42 ? 570 ARG A NE 1 ATOM 1740 C CZ . ARG A 1 229 ? 2.745 -5.249 -5.563 1.00 48.81 ? 570 ARG A CZ 1 ATOM 1741 N NH1 . ARG A 1 229 ? 3.983 -4.828 -5.370 1.00 50.12 ? 570 ARG A NH1 1 ATOM 1742 N NH2 . ARG A 1 229 ? 2.387 -5.733 -6.743 1.00 51.14 ? 570 ARG A NH2 1 ATOM 1743 N N . LEU A 1 230 ? 3.542 -2.881 0.963 1.00 36.08 ? 571 LEU A N 1 ATOM 1744 C CA . LEU A 1 230 ? 3.339 -2.137 2.202 1.00 35.85 ? 571 LEU A CA 1 ATOM 1745 C C . LEU A 1 230 ? 1.841 -2.097 2.522 1.00 35.95 ? 571 LEU A C 1 ATOM 1746 O O . LEU A 1 230 ? 1.014 -2.012 1.615 1.00 36.04 ? 571 LEU A O 1 ATOM 1747 C CB . LEU A 1 230 ? 3.905 -0.732 2.077 1.00 35.38 ? 571 LEU A CB 1 ATOM 1748 C CG . LEU A 1 230 ? 5.351 -0.637 1.590 1.00 35.43 ? 571 LEU A CG 1 ATOM 1749 C CD1 . LEU A 1 230 ? 5.789 0.805 1.513 1.00 33.81 ? 571 LEU A CD1 1 ATOM 1750 C CD2 . LEU A 1 230 ? 6.277 -1.432 2.500 1.00 33.84 ? 571 LEU A CD2 1 ATOM 1751 N N . LEU A 1 231 ? 1.497 -2.163 3.808 1.00 35.71 ? 572 LEU A N 1 ATOM 1752 C CA . LEU A 1 231 ? 0.102 -2.049 4.249 1.00 36.28 ? 572 LEU A CA 1 ATOM 1753 C C . LEU A 1 231 ? -0.193 -0.635 4.715 1.00 36.85 ? 572 LEU A C 1 ATOM 1754 O O . LEU A 1 231 ? 0.407 -0.156 5.665 1.00 36.36 ? 572 LEU A O 1 ATOM 1755 C CB . LEU A 1 231 ? -0.189 -2.985 5.406 1.00 36.12 ? 572 LEU A CB 1 ATOM 1756 C CG . LEU A 1 231 ? -0.057 -4.489 5.253 1.00 36.01 ? 572 LEU A CG 1 ATOM 1757 C CD1 . LEU A 1 231 ? -0.382 -5.123 6.602 1.00 35.88 ? 572 LEU A CD1 1 ATOM 1758 C CD2 . LEU A 1 231 ? -0.975 -5.019 4.169 1.00 37.88 ? 572 LEU A CD2 1 ATOM 1759 N N . CYS A 1 232 ? -1.142 0.032 4.068 1.00 38.03 ? 573 CYS A N 1 ATOM 1760 C CA . CYS A 1 232 ? -1.446 1.420 4.398 1.00 39.46 ? 573 CYS A CA 1 ATOM 1761 C C . CYS A 1 232 ? -2.507 1.470 5.466 1.00 40.16 ? 573 CYS A C 1 ATOM 1762 O O . CYS A 1 232 ? -3.326 0.564 5.571 1.00 41.13 ? 573 CYS A O 1 ATOM 1763 C CB . CYS A 1 232 ? -1.928 2.173 3.152 1.00 39.08 ? 573 CYS A CB 1 ATOM 1764 S SG . CYS A 1 232 ? -0.965 1.852 1.671 1.00 43.10 ? 573 CYS A SG 1 ATOM 1765 N N . LEU A 1 233 ? -2.520 2.528 6.260 1.00 41.18 ? 574 LEU A N 1 ATOM 1766 C CA . LEU A 1 233 ? -3.506 2.611 7.321 1.00 42.43 ? 574 LEU A CA 1 ATOM 1767 C C . LEU A 1 233 ? -4.956 2.640 6.815 1.00 43.34 ? 574 LEU A C 1 ATOM 1768 O O . LEU A 1 233 ? -5.880 2.392 7.590 1.00 43.95 ? 574 LEU A O 1 ATOM 1769 C CB . LEU A 1 233 ? -3.235 3.804 8.232 1.00 42.32 ? 574 LEU A CB 1 ATOM 1770 C CG . LEU A 1 233 ? -2.123 3.609 9.269 1.00 41.97 ? 574 LEU A CG 1 ATOM 1771 C CD1 . LEU A 1 233 ? -1.916 4.890 10.018 1.00 41.73 ? 574 LEU A CD1 1 ATOM 1772 C CD2 . LEU A 1 233 ? -2.476 2.480 10.213 1.00 43.31 ? 574 LEU A CD2 1 ATOM 1773 N N . ASP A 1 234 ? -5.164 2.921 5.533 1.00 44.01 ? 575 ASP A N 1 ATOM 1774 C CA . ASP A 1 234 ? -6.534 2.949 5.011 1.00 45.28 ? 575 ASP A CA 1 ATOM 1775 C C . ASP A 1 234 ? -7.002 1.627 4.398 1.00 45.35 ? 575 ASP A C 1 ATOM 1776 O O . ASP A 1 234 ? -7.960 1.604 3.634 1.00 44.92 ? 575 ASP A O 1 ATOM 1777 C CB . ASP A 1 234 ? -6.735 4.091 4.015 1.00 45.51 ? 575 ASP A CB 1 ATOM 1778 C CG . ASP A 1 234 ? -5.878 3.950 2.773 1.00 47.05 ? 575 ASP A CG 1 ATOM 1779 O OD1 . ASP A 1 234 ? -5.207 2.905 2.602 1.00 49.59 ? 575 ASP A OD1 1 ATOM 1780 O OD2 . ASP A 1 234 ? -5.796 4.867 1.919 1.00 48.80 ? 575 ASP A OD2 1 ATOM 1781 N N . GLY A 1 235 ? -6.322 0.530 4.723 1.00 45.23 ? 576 GLY A N 1 ATOM 1782 C CA . GLY A 1 235 ? -6.737 -0.765 4.222 1.00 44.54 ? 576 GLY A CA 1 ATOM 1783 C C . GLY A 1 235 ? -6.240 -1.127 2.836 1.00 44.52 ? 576 GLY A C 1 ATOM 1784 O O . GLY A 1 235 ? -6.641 -2.142 2.289 1.00 44.74 ? 576 GLY A O 1 ATOM 1785 N N . THR A 1 236 ? -5.368 -0.309 2.259 1.00 44.53 ? 577 THR A N 1 ATOM 1786 C CA . THR A 1 236 ? -4.842 -0.608 0.929 1.00 44.34 ? 577 THR A CA 1 ATOM 1787 C C . THR A 1 236 ? -3.426 -1.180 0.975 1.00 44.31 ? 577 THR A C 1 ATOM 1788 O O . THR A 1 236 ? -2.730 -1.055 1.982 1.00 44.06 ? 577 THR A O 1 ATOM 1789 C CB . THR A 1 236 ? -4.893 0.638 0.002 1.00 44.75 ? 577 THR A CB 1 ATOM 1790 O OG1 . THR A 1 236 ? -4.171 1.734 0.589 1.00 44.79 ? 577 THR A OG1 1 ATOM 1791 C CG2 . THR A 1 236 ? -6.317 1.179 -0.105 1.00 45.36 ? 577 THR A CG2 1 ATOM 1792 N N . ARG A 1 237 ? -3.008 -1.778 -0.134 1.00 43.56 ? 578 ARG A N 1 ATOM 1793 C CA . ARG A 1 237 ? -1.672 -2.339 -0.264 1.00 43.40 ? 578 ARG A CA 1 ATOM 1794 C C . ARG A 1 237 ? -0.966 -1.606 -1.372 1.00 43.30 ? 578 ARG A C 1 ATOM 1795 O O . ARG A 1 237 ? -1.560 -1.347 -2.422 1.00 43.35 ? 578 ARG A O 1 ATOM 1796 C CB . ARG A 1 237 ? -1.740 -3.809 -0.644 1.00 43.21 ? 578 ARG A CB 1 ATOM 1797 C CG . ARG A 1 237 ? -2.315 -4.674 0.403 1.00 42.79 ? 578 ARG A CG 1 ATOM 1798 C CD . ARG A 1 237 ? -2.959 -5.935 -0.142 1.00 42.59 ? 578 ARG A CD 1 ATOM 1799 N NE . ARG A 1 237 ? -2.068 -6.741 -0.974 1.00 42.84 ? 578 ARG A NE 1 ATOM 1800 C CZ . ARG A 1 237 ? -1.449 -7.840 -0.550 1.00 43.57 ? 578 ARG A CZ 1 ATOM 1801 N NH1 . ARG A 1 237 ? -1.608 -8.232 0.705 1.00 42.56 ? 578 ARG A NH1 1 ATOM 1802 N NH2 . ARG A 1 237 ? -0.658 -8.534 -1.368 1.00 43.03 ? 578 ARG A NH2 1 ATOM 1803 N N . LYS A 1 238 ? 0.303 -1.287 -1.163 1.00 42.68 ? 579 LYS A N 1 ATOM 1804 C CA . LYS A 1 238 ? 1.058 -0.570 -2.172 1.00 42.81 ? 579 LYS A CA 1 ATOM 1805 C C . LYS A 1 238 ? 2.460 -1.129 -2.339 1.00 42.90 ? 579 LYS A C 1 ATOM 1806 O O . LYS A 1 238 ? 2.995 -1.745 -1.421 1.00 42.61 ? 579 LYS A O 1 ATOM 1807 C CB . LYS A 1 238 ? 1.142 0.915 -1.809 1.00 43.19 ? 579 LYS A CB 1 ATOM 1808 C CG . LYS A 1 238 ? -0.213 1.597 -1.723 1.00 44.64 ? 579 LYS A CG 1 ATOM 1809 C CD . LYS A 1 238 ? -0.094 3.076 -2.020 1.00 48.50 ? 579 LYS A CD 1 ATOM 1810 C CE . LYS A 1 238 ? -1.239 3.853 -1.372 1.00 50.06 ? 579 LYS A CE 1 ATOM 1811 N NZ . LYS A 1 238 ? -2.581 3.331 -1.788 1.00 51.49 ? 579 LYS A NZ 1 ATOM 1812 N N . PRO A 1 239 ? 3.032 -0.948 -3.528 1.00 43.11 ? 580 PRO A N 1 ATOM 1813 C CA . PRO A 1 239 ? 4.428 -1.328 -3.796 1.00 43.03 ? 580 PRO A CA 1 ATOM 1814 C C . PRO A 1 239 ? 5.369 -0.593 -2.866 1.00 43.06 ? 580 PRO A C 1 ATOM 1815 O O . PRO A 1 239 ? 5.063 0.502 -2.407 1.00 43.71 ? 580 PRO A O 1 ATOM 1816 C CB . PRO A 1 239 ? 4.660 -0.859 -5.234 1.00 43.09 ? 580 PRO A CB 1 ATOM 1817 C CG . PRO A 1 239 ? 3.273 -0.853 -5.855 1.00 43.52 ? 580 PRO A CG 1 ATOM 1818 C CD . PRO A 1 239 ? 2.351 -0.429 -4.731 1.00 43.40 ? 580 PRO A CD 1 ATOM 1819 N N . VAL A 1 240 ? 6.526 -1.179 -2.622 1.00 43.23 ? 581 VAL A N 1 ATOM 1820 C CA . VAL A 1 240 ? 7.435 -0.643 -1.629 1.00 43.55 ? 581 VAL A CA 1 ATOM 1821 C C . VAL A 1 240 ? 7.989 0.706 -2.038 1.00 43.49 ? 581 VAL A C 1 ATOM 1822 O O . VAL A 1 240 ? 8.584 1.391 -1.224 1.00 43.85 ? 581 VAL A O 1 ATOM 1823 C CB . VAL A 1 240 ? 8.515 -1.686 -1.235 1.00 43.79 ? 581 VAL A CB 1 ATOM 1824 C CG1 . VAL A 1 240 ? 7.849 -3.030 -0.997 1.00 43.31 ? 581 VAL A CG1 1 ATOM 1825 C CG2 . VAL A 1 240 ? 9.595 -1.820 -2.306 1.00 43.64 ? 581 VAL A CG2 1 ATOM 1826 N N . THR A 1 241 ? 7.720 1.115 -3.281 1.00 43.42 ? 582 THR A N 1 ATOM 1827 C CA . THR A 1 241 ? 8.141 2.426 -3.786 1.00 43.38 ? 582 THR A CA 1 ATOM 1828 C C . THR A 1 241 ? 7.235 3.529 -3.264 1.00 43.42 ? 582 THR A C 1 ATOM 1829 O O . THR A 1 241 ? 7.561 4.704 -3.375 1.00 43.24 ? 582 THR A O 1 ATOM 1830 C CB . THR A 1 241 ? 8.059 2.485 -5.334 1.00 43.49 ? 582 THR A CB 1 ATOM 1831 O OG1 . THR A 1 241 ? 6.763 2.048 -5.746 1.00 44.16 ? 582 THR A OG1 1 ATOM 1832 C CG2 . THR A 1 241 ? 8.987 1.501 -5.991 1.00 43.58 ? 582 THR A CG2 1 ATOM 1833 N N . GLU A 1 242 ? 6.083 3.156 -2.723 1.00 43.22 ? 583 GLU A N 1 ATOM 1834 C CA . GLU A 1 242 ? 5.130 4.149 -2.254 1.00 43.69 ? 583 GLU A CA 1 ATOM 1835 C C . GLU A 1 242 ? 5.172 4.371 -0.750 1.00 43.06 ? 583 GLU A C 1 ATOM 1836 O O . GLU A 1 242 ? 4.152 4.694 -0.151 1.00 42.79 ? 583 GLU A O 1 ATOM 1837 C CB . GLU A 1 242 ? 3.704 3.740 -2.632 1.00 43.83 ? 583 GLU A CB 1 ATOM 1838 C CG . GLU A 1 242 ? 3.513 3.430 -4.104 1.00 47.81 ? 583 GLU A CG 1 ATOM 1839 C CD . GLU A 1 242 ? 4.106 4.505 -4.978 1.00 51.91 ? 583 GLU A CD 1 ATOM 1840 O OE1 . GLU A 1 242 ? 3.575 5.642 -4.970 1.00 53.80 ? 583 GLU A OE1 1 ATOM 1841 O OE2 . GLU A 1 242 ? 5.117 4.212 -5.647 1.00 54.76 ? 583 GLU A OE2 1 ATOM 1842 N N . ALA A 1 243 ? 6.339 4.223 -0.137 1.00 42.74 ? 584 ALA A N 1 ATOM 1843 C CA . ALA A 1 243 ? 6.418 4.372 1.315 1.00 42.45 ? 584 ALA A CA 1 ATOM 1844 C C . ALA A 1 243 ? 6.075 5.790 1.815 1.00 42.70 ? 584 ALA A C 1 ATOM 1845 O O . ALA A 1 243 ? 5.476 5.956 2.879 1.00 43.10 ? 584 ALA A O 1 ATOM 1846 C CB . ALA A 1 243 ? 7.779 3.910 1.837 1.00 42.37 ? 584 ALA A CB 1 ATOM 1847 N N . GLN A 1 244 ? 6.425 6.813 1.050 1.00 42.80 ? 585 GLN A N 1 ATOM 1848 C CA . GLN A 1 244 ? 6.124 8.163 1.502 1.00 43.40 ? 585 GLN A CA 1 ATOM 1849 C C . GLN A 1 244 ? 4.615 8.400 1.620 1.00 42.61 ? 585 GLN A C 1 ATOM 1850 O O . GLN A 1 244 ? 4.178 9.309 2.316 1.00 43.02 ? 585 GLN A O 1 ATOM 1851 C CB . GLN A 1 244 ? 6.790 9.217 0.613 1.00 43.56 ? 585 GLN A CB 1 ATOM 1852 C CG . GLN A 1 244 ? 6.817 10.638 1.229 1.00 46.48 ? 585 GLN A CG 1 ATOM 1853 C CD . GLN A 1 244 ? 7.436 10.677 2.625 1.00 48.70 ? 585 GLN A CD 1 ATOM 1854 O OE1 . GLN A 1 244 ? 6.723 10.845 3.627 1.00 49.36 ? 585 GLN A OE1 1 ATOM 1855 N NE2 . GLN A 1 244 ? 8.761 10.532 2.693 1.00 48.63 ? 585 GLN A NE2 1 ATOM 1856 N N . SER A 1 245 ? 3.820 7.576 0.948 1.00 42.46 ? 586 SER A N 1 ATOM 1857 C CA . SER A 1 245 ? 2.365 7.682 1.035 1.00 41.98 ? 586 SER A CA 1 ATOM 1858 C C . SER A 1 245 ? 1.672 6.497 1.688 1.00 41.78 ? 586 SER A C 1 ATOM 1859 O O . SER A 1 245 ? 0.442 6.440 1.734 1.00 42.76 ? 586 SER A O 1 ATOM 1860 C CB . SER A 1 245 ? 1.752 7.970 -0.340 1.00 42.69 ? 586 SER A CB 1 ATOM 1861 O OG . SER A 1 245 ? 2.038 6.953 -1.277 1.00 42.29 ? 586 SER A OG 1 ATOM 1862 N N . CYS A 1 246 ? 2.457 5.533 2.177 1.00 40.86 ? 587 CYS A N 1 ATOM 1863 C CA . CYS A 1 246 ? 1.915 4.330 2.786 1.00 39.79 ? 587 CYS A CA 1 ATOM 1864 C C . CYS A 1 246 ? 2.787 3.835 3.951 1.00 39.18 ? 587 CYS A C 1 ATOM 1865 O O . CYS A 1 246 ? 3.373 2.748 3.889 1.00 39.23 ? 587 CYS A O 1 ATOM 1866 C CB . CYS A 1 246 ? 1.821 3.242 1.719 1.00 39.98 ? 587 CYS A CB 1 ATOM 1867 S SG . CYS A 1 246 ? 0.972 1.758 2.248 1.00 40.44 ? 587 CYS A SG 1 ATOM 1868 N N . HIS A 1 247 ? 2.871 4.633 5.005 1.00 38.09 ? 588 HIS A N 1 ATOM 1869 C CA . HIS A 1 247 ? 3.632 4.269 6.179 1.00 37.69 ? 588 HIS A CA 1 ATOM 1870 C C . HIS A 1 247 ? 2.733 4.371 7.389 1.00 37.43 ? 588 HIS A C 1 ATOM 1871 O O . HIS A 1 247 ? 1.626 4.903 7.305 1.00 37.41 ? 588 HIS A O 1 ATOM 1872 C CB . HIS A 1 247 ? 4.855 5.178 6.352 1.00 37.37 ? 588 HIS A CB 1 ATOM 1873 C CG . HIS A 1 247 ? 4.541 6.640 6.281 1.00 37.95 ? 588 HIS A CG 1 ATOM 1874 N ND1 . HIS A 1 247 ? 4.624 7.362 5.107 1.00 39.21 ? 588 HIS A ND1 1 ATOM 1875 C CD2 . HIS A 1 247 ? 4.152 7.519 7.236 1.00 38.29 ? 588 HIS A CD2 1 ATOM 1876 C CE1 . HIS A 1 247 ? 4.294 8.618 5.342 1.00 38.41 ? 588 HIS A CE1 1 ATOM 1877 N NE2 . HIS A 1 247 ? 3.994 8.739 6.624 1.00 38.87 ? 588 HIS A NE2 1 ATOM 1878 N N . LEU A 1 248 ? 3.213 3.852 8.514 1.00 36.82 ? 589 LEU A N 1 ATOM 1879 C CA . LEU A 1 248 ? 2.460 3.908 9.758 1.00 36.61 ? 589 LEU A CA 1 ATOM 1880 C C . LEU A 1 248 ? 2.803 5.169 10.523 1.00 36.44 ? 589 LEU A C 1 ATOM 1881 O O . LEU A 1 248 ? 1.974 5.698 11.250 1.00 36.19 ? 589 LEU A O 1 ATOM 1882 C CB . LEU A 1 248 ? 2.748 2.686 10.626 1.00 36.66 ? 589 LEU A CB 1 ATOM 1883 C CG . LEU A 1 248 ? 2.480 1.294 10.042 1.00 37.71 ? 589 LEU A CG 1 ATOM 1884 C CD1 . LEU A 1 248 ? 2.656 0.241 11.138 1.00 38.03 ? 589 LEU A CD1 1 ATOM 1885 C CD2 . LEU A 1 248 ? 1.078 1.201 9.408 1.00 37.67 ? 589 LEU A CD2 1 ATOM 1886 N N . ALA A 1 249 ? 4.036 5.649 10.377 1.00 35.48 ? 590 ALA A N 1 ATOM 1887 C CA . ALA A 1 249 ? 4.430 6.868 11.069 1.00 35.74 ? 590 ALA A CA 1 ATOM 1888 C C . ALA A 1 249 ? 5.820 7.237 10.629 1.00 35.21 ? 590 ALA A C 1 ATOM 1889 O O . ALA A 1 249 ? 6.491 6.438 9.997 1.00 35.07 ? 590 ALA A O 1 ATOM 1890 C CB . ALA A 1 249 ? 4.415 6.656 12.583 1.00 35.62 ? 590 ALA A CB 1 ATOM 1891 N N . VAL A 1 250 ? 6.249 8.443 10.985 1.00 35.21 ? 591 VAL A N 1 ATOM 1892 C CA . VAL A 1 250 ? 7.611 8.868 10.735 1.00 34.67 ? 591 VAL A CA 1 ATOM 1893 C C . VAL A 1 250 ? 8.265 8.746 12.122 1.00 34.40 ? 591 VAL A C 1 ATOM 1894 O O . VAL A 1 250 ? 7.707 9.204 13.117 1.00 34.15 ? 591 VAL A O 1 ATOM 1895 C CB . VAL A 1 250 ? 7.669 10.322 10.213 1.00 35.14 ? 591 VAL A CB 1 ATOM 1896 C CG1 . VAL A 1 250 ? 9.085 10.861 10.272 1.00 36.09 ? 591 VAL A CG1 1 ATOM 1897 C CG2 . VAL A 1 250 ? 7.115 10.433 8.786 1.00 34.90 ? 591 VAL A CG2 1 ATOM 1898 N N . ALA A 1 251 ? 9.422 8.090 12.190 1.00 33.28 ? 592 ALA A N 1 ATOM 1899 C CA . ALA A 1 251 ? 10.118 7.848 13.458 1.00 32.26 ? 592 ALA A CA 1 ATOM 1900 C C . ALA A 1 251 ? 11.352 8.738 13.616 1.00 31.65 ? 592 ALA A C 1 ATOM 1901 O O . ALA A 1 251 ? 12.029 9.033 12.643 1.00 31.42 ? 592 ALA A O 1 ATOM 1902 C CB . ALA A 1 251 ? 10.541 6.387 13.539 1.00 32.28 ? 592 ALA A CB 1 ATOM 1903 N N . PRO A 1 252 ? 11.644 9.175 14.835 1.00 31.62 ? 593 PRO A N 1 ATOM 1904 C CA . PRO A 1 252 ? 12.861 9.957 15.065 1.00 31.02 ? 593 PRO A CA 1 ATOM 1905 C C . PRO A 1 252 ? 14.052 9.044 14.846 1.00 30.68 ? 593 PRO A C 1 ATOM 1906 O O . PRO A 1 252 ? 13.981 7.869 15.222 1.00 30.00 ? 593 PRO A O 1 ATOM 1907 C CB . PRO A 1 252 ? 12.790 10.344 16.549 1.00 32.10 ? 593 PRO A CB 1 ATOM 1908 C CG . PRO A 1 252 ? 11.595 9.710 17.134 1.00 31.64 ? 593 PRO A CG 1 ATOM 1909 C CD . PRO A 1 252 ? 10.841 8.976 16.053 1.00 32.01 ? 593 PRO A CD 1 ATOM 1910 N N . ASN A 1 253 ? 15.114 9.548 14.230 1.00 29.58 ? 594 ASN A N 1 ATOM 1911 C CA . ASN A 1 253 ? 16.289 8.719 14.010 1.00 29.79 ? 594 ASN A CA 1 ATOM 1912 C C . ASN A 1 253 ? 16.901 8.166 15.304 1.00 28.80 ? 594 ASN A C 1 ATOM 1913 O O . ASN A 1 253 ? 16.837 8.804 16.383 1.00 28.68 ? 594 ASN A O 1 ATOM 1914 C CB . ASN A 1 253 ? 17.367 9.482 13.232 1.00 29.54 ? 594 ASN A CB 1 ATOM 1915 C CG . ASN A 1 253 ? 17.000 9.688 11.778 1.00 32.73 ? 594 ASN A CG 1 ATOM 1916 O OD1 . ASN A 1 253 ? 16.118 9.013 11.240 1.00 36.36 ? 594 ASN A OD1 1 ATOM 1917 N ND2 . ASN A 1 253 ? 17.669 10.619 11.134 1.00 35.19 ? 594 ASN A ND2 1 ATOM 1918 N N . HIS A 1 254 ? 17.489 6.972 15.194 1.00 27.52 ? 595 HIS A N 1 ATOM 1919 C CA . HIS A 1 254 ? 18.259 6.419 16.302 1.00 26.24 ? 595 HIS A CA 1 ATOM 1920 C C . HIS A 1 254 ? 19.282 7.484 16.652 1.00 26.09 ? 595 HIS A C 1 ATOM 1921 O O . HIS A 1 254 ? 19.734 8.217 15.775 1.00 25.94 ? 595 HIS A O 1 ATOM 1922 C CB . HIS A 1 254 ? 18.970 5.123 15.919 1.00 25.68 ? 595 HIS A CB 1 ATOM 1923 C CG . HIS A 1 254 ? 18.038 3.971 15.695 1.00 23.82 ? 595 HIS A CG 1 ATOM 1924 N ND1 . HIS A 1 254 ? 18.464 2.663 15.664 1.00 23.67 ? 595 HIS A ND1 1 ATOM 1925 C CD2 . HIS A 1 254 ? 16.696 3.936 15.489 1.00 21.10 ? 595 HIS A CD2 1 ATOM 1926 C CE1 . HIS A 1 254 ? 17.427 1.864 15.449 1.00 23.68 ? 595 HIS A CE1 1 ATOM 1927 N NE2 . HIS A 1 254 ? 16.346 2.611 15.326 1.00 19.72 ? 595 HIS A NE2 1 ATOM 1928 N N . ALA A 1 255 ? 19.620 7.591 17.936 1.00 24.97 ? 596 ALA A N 1 ATOM 1929 C CA . ALA A 1 255 ? 20.559 8.607 18.366 1.00 24.15 ? 596 ALA A CA 1 ATOM 1930 C C . ALA A 1 255 ? 21.430 8.094 19.491 1.00 23.75 ? 596 ALA A C 1 ATOM 1931 O O . ALA A 1 255 ? 21.064 7.152 20.202 1.00 23.45 ? 596 ALA A O 1 ATOM 1932 C CB . ALA A 1 255 ? 19.833 9.854 18.799 1.00 23.99 ? 596 ALA A CB 1 ATOM 1933 N N . VAL A 1 256 ? 22.626 8.676 19.591 1.00 23.14 ? 597 VAL A N 1 ATOM 1934 C CA . VAL A 1 256 ? 23.528 8.387 20.701 1.00 23.11 ? 597 VAL A CA 1 ATOM 1935 C C . VAL A 1 256 ? 23.054 9.060 21.987 1.00 22.66 ? 597 VAL A C 1 ATOM 1936 O O . VAL A 1 256 ? 22.687 10.218 21.998 1.00 22.02 ? 597 VAL A O 1 ATOM 1937 C CB . VAL A 1 256 ? 24.973 8.869 20.377 1.00 23.18 ? 597 VAL A CB 1 ATOM 1938 C CG1 . VAL A 1 256 ? 25.893 8.638 21.572 1.00 23.02 ? 597 VAL A CG1 1 ATOM 1939 C CG2 . VAL A 1 256 ? 25.478 8.140 19.153 1.00 24.76 ? 597 VAL A CG2 1 ATOM 1940 N N . VAL A 1 257 ? 23.051 8.328 23.089 1.00 24.60 ? 598 VAL A N 1 ATOM 1941 C CA . VAL A 1 257 ? 22.666 8.943 24.338 1.00 25.71 ? 598 VAL A CA 1 ATOM 1942 C C . VAL A 1 257 ? 23.738 8.737 25.366 1.00 26.54 ? 598 VAL A C 1 ATOM 1943 O O . VAL A 1 257 ? 24.507 7.779 25.295 1.00 27.12 ? 598 VAL A O 1 ATOM 1944 C CB . VAL A 1 257 ? 21.366 8.347 24.900 1.00 25.02 ? 598 VAL A CB 1 ATOM 1945 C CG1 . VAL A 1 257 ? 20.298 8.265 23.818 1.00 26.15 ? 598 VAL A CG1 1 ATOM 1946 C CG2 . VAL A 1 257 ? 21.635 6.986 25.524 1.00 27.24 ? 598 VAL A CG2 1 ATOM 1947 N N . SER A 1 258 ? 23.778 9.627 26.342 1.00 27.89 ? 599 SER A N 1 ATOM 1948 C CA . SER A 1 258 ? 24.732 9.492 27.422 1.00 29.59 ? 599 SER A CA 1 ATOM 1949 C C . SER A 1 258 ? 24.211 10.188 28.640 1.00 30.50 ? 599 SER A C 1 ATOM 1950 O O . SER A 1 258 ? 23.188 10.892 28.576 1.00 31.40 ? 599 SER A O 1 ATOM 1951 C CB . SER A 1 258 ? 26.088 10.096 27.041 1.00 29.00 ? 599 SER A CB 1 ATOM 1952 O OG . SER A 1 258 ? 26.050 11.513 27.150 1.00 31.61 ? 599 SER A OG 1 ATOM 1953 N N . ARG A 1 259 ? 24.889 9.968 29.760 1.00 31.79 ? 600 ARG A N 1 ATOM 1954 C CA . ARG A 1 259 ? 24.594 10.757 30.947 1.00 34.07 ? 600 ARG A CA 1 ATOM 1955 C C . ARG A 1 259 ? 24.877 12.212 30.654 1.00 34.84 ? 600 ARG A C 1 ATOM 1956 O O . ARG A 1 259 ? 25.818 12.557 29.935 1.00 34.28 ? 600 ARG A O 1 ATOM 1957 C CB . ARG A 1 259 ? 25.371 10.237 32.160 1.00 34.07 ? 600 ARG A CB 1 ATOM 1958 C CG . ARG A 1 259 ? 24.532 9.286 32.968 1.00 34.97 ? 600 ARG A CG 1 ATOM 1959 C CD . ARG A 1 259 ? 25.183 8.628 34.212 1.00 37.57 ? 600 ARG A CD 1 ATOM 1960 N NE . ARG A 1 259 ? 26.107 9.468 34.953 1.00 34.86 ? 600 ARG A NE 1 ATOM 1961 C CZ . ARG A 1 259 ? 26.697 9.096 36.089 1.00 36.07 ? 600 ARG A CZ 1 ATOM 1962 N NH1 . ARG A 1 259 ? 26.430 7.906 36.637 1.00 31.38 ? 600 ARG A NH1 1 ATOM 1963 N NH2 . ARG A 1 259 ? 27.546 9.924 36.685 1.00 34.79 ? 600 ARG A NH2 1 ATOM 1964 N N . SER A 1 260 ? 24.024 13.073 31.187 1.00 36.17 ? 601 SER A N 1 ATOM 1965 C CA . SER A 1 260 ? 24.118 14.498 30.942 1.00 37.76 ? 601 SER A CA 1 ATOM 1966 C C . SER A 1 260 ? 25.519 15.039 31.168 1.00 38.30 ? 601 SER A C 1 ATOM 1967 O O . SER A 1 260 ? 26.030 15.820 30.372 1.00 38.09 ? 601 SER A O 1 ATOM 1968 C CB . SER A 1 260 ? 23.130 15.251 31.827 1.00 38.34 ? 601 SER A CB 1 ATOM 1969 O OG . SER A 1 260 ? 23.114 16.618 31.460 1.00 41.74 ? 601 SER A OG 1 ATOM 1970 N N . ASP A 1 261 ? 26.144 14.585 32.245 1.00 38.76 ? 602 ASP A N 1 ATOM 1971 C CA . ASP A 1 261 ? 27.453 15.080 32.639 1.00 39.50 ? 602 ASP A CA 1 ATOM 1972 C C . ASP A 1 261 ? 28.610 14.571 31.780 1.00 38.91 ? 602 ASP A C 1 ATOM 1973 O O . ASP A 1 261 ? 29.735 15.034 31.935 1.00 39.28 ? 602 ASP A O 1 ATOM 1974 C CB . ASP A 1 261 ? 27.688 14.780 34.130 1.00 40.42 ? 602 ASP A CB 1 ATOM 1975 C CG . ASP A 1 261 ? 27.051 13.466 34.573 1.00 43.19 ? 602 ASP A CG 1 ATOM 1976 O OD1 . ASP A 1 261 ? 25.811 13.345 34.428 1.00 46.15 ? 602 ASP A OD1 1 ATOM 1977 O OD2 . ASP A 1 261 ? 27.708 12.510 35.074 1.00 43.07 ? 602 ASP A OD2 1 ATOM 1978 N N . ARG A 1 262 ? 28.346 13.625 30.877 1.00 37.73 ? 603 ARG A N 1 ATOM 1979 C CA . ARG A 1 262 ? 29.381 13.140 29.971 1.00 37.18 ? 603 ARG A CA 1 ATOM 1980 C C . ARG A 1 262 ? 29.070 13.520 28.514 1.00 36.72 ? 603 ARG A C 1 ATOM 1981 O O . ARG A 1 262 ? 29.858 13.260 27.610 1.00 36.21 ? 603 ARG A O 1 ATOM 1982 C CB . ARG A 1 262 ? 29.505 11.605 30.088 1.00 37.30 ? 603 ARG A CB 1 ATOM 1983 C CG . ARG A 1 262 ? 30.033 11.074 31.431 1.00 37.91 ? 603 ARG A CG 1 ATOM 1984 C CD . ARG A 1 262 ? 31.533 11.255 31.605 1.00 36.85 ? 603 ARG A CD 1 ATOM 1985 N NE . ARG A 1 262 ? 32.295 10.303 30.796 1.00 37.05 ? 603 ARG A NE 1 ATOM 1986 C CZ . ARG A 1 262 ? 33.473 10.574 30.245 1.00 38.36 ? 603 ARG A CZ 1 ATOM 1987 N NH1 . ARG A 1 262 ? 34.031 11.781 30.422 1.00 35.97 ? 603 ARG A NH1 1 ATOM 1988 N NH2 . ARG A 1 262 ? 34.090 9.639 29.520 1.00 37.60 ? 603 ARG A NH2 1 ATOM 1989 N N . ALA A 1 263 ? 27.921 14.157 28.299 1.00 36.11 ? 604 ALA A N 1 ATOM 1990 C CA . ALA A 1 263 ? 27.423 14.425 26.955 1.00 35.66 ? 604 ALA A CA 1 ATOM 1991 C C . ALA A 1 263 ? 28.406 15.169 26.064 1.00 36.02 ? 604 ALA A C 1 ATOM 1992 O O . ALA A 1 263 ? 28.656 14.782 24.921 1.00 35.31 ? 604 ALA A O 1 ATOM 1993 C CB . ALA A 1 263 ? 26.080 15.150 27.016 1.00 35.51 ? 604 ALA A CB 1 ATOM 1994 N N . ALA A 1 264 ? 28.973 16.241 26.599 1.00 36.32 ? 605 ALA A N 1 ATOM 1995 C CA . ALA A 1 264 ? 29.925 17.036 25.854 1.00 36.71 ? 605 ALA A CA 1 ATOM 1996 C C . ALA A 1 264 ? 31.166 16.250 25.423 1.00 36.83 ? 605 ALA A C 1 ATOM 1997 O O . ALA A 1 264 ? 31.606 16.371 24.287 1.00 36.89 ? 605 ALA A O 1 ATOM 1998 C CB . ALA A 1 264 ? 30.333 18.285 26.672 1.00 36.64 ? 605 ALA A CB 1 ATOM 1999 N N . HIS A 1 265 ? 31.738 15.457 26.327 1.00 37.18 ? 606 HIS A N 1 ATOM 2000 C CA . HIS A 1 265 ? 32.965 14.721 26.008 1.00 37.62 ? 606 HIS A CA 1 ATOM 2001 C C . HIS A 1 265 ? 32.683 13.617 25.020 1.00 36.90 ? 606 HIS A C 1 ATOM 2002 O O . HIS A 1 265 ? 33.521 13.277 24.159 1.00 36.77 ? 606 HIS A O 1 ATOM 2003 C CB . HIS A 1 265 ? 33.581 14.129 27.282 1.00 38.62 ? 606 HIS A CB 1 ATOM 2004 C CG . HIS A 1 265 ? 34.951 13.554 27.083 1.00 43.36 ? 606 HIS A CG 1 ATOM 2005 N ND1 . HIS A 1 265 ? 36.058 14.337 26.809 1.00 47.23 ? 606 HIS A ND1 1 ATOM 2006 C CD2 . HIS A 1 265 ? 35.398 12.275 27.130 1.00 46.52 ? 606 HIS A CD2 1 ATOM 2007 C CE1 . HIS A 1 265 ? 37.122 13.564 26.685 1.00 46.92 ? 606 HIS A CE1 1 ATOM 2008 N NE2 . HIS A 1 265 ? 36.751 12.309 26.875 1.00 49.15 ? 606 HIS A NE2 1 ATOM 2009 N N . VAL A 1 266 ? 31.507 13.017 25.165 1.00 35.89 ? 607 VAL A N 1 ATOM 2010 C CA . VAL A 1 266 ? 31.103 11.956 24.256 1.00 35.23 ? 607 VAL A CA 1 ATOM 2011 C C . VAL A 1 266 ? 30.946 12.526 22.847 1.00 35.74 ? 607 VAL A C 1 ATOM 2012 O O . VAL A 1 266 ? 31.439 11.956 21.879 1.00 35.38 ? 607 VAL A O 1 ATOM 2013 C CB . VAL A 1 266 ? 29.802 11.234 24.765 1.00 34.61 ? 607 VAL A CB 1 ATOM 2014 C CG1 . VAL A 1 266 ? 29.204 10.336 23.689 1.00 33.55 ? 607 VAL A CG1 1 ATOM 2015 C CG2 . VAL A 1 266 ? 30.112 10.432 26.025 1.00 31.13 ? 607 VAL A CG2 1 ATOM 2016 N N . GLU A 1 267 ? 30.284 13.668 22.731 1.00 37.28 ? 608 GLU A N 1 ATOM 2017 C CA . GLU A 1 267 ? 30.081 14.296 21.436 1.00 39.02 ? 608 GLU A CA 1 ATOM 2018 C C . GLU A 1 267 ? 31.438 14.588 20.757 1.00 39.86 ? 608 GLU A C 1 ATOM 2019 O O . GLU A 1 267 ? 31.635 14.295 19.587 1.00 39.44 ? 608 GLU A O 1 ATOM 2020 C CB . GLU A 1 267 ? 29.283 15.586 21.614 1.00 39.69 ? 608 GLU A CB 1 ATOM 2021 C CG . GLU A 1 267 ? 28.952 16.328 20.331 1.00 43.11 ? 608 GLU A CG 1 ATOM 2022 C CD . GLU A 1 267 ? 28.490 17.752 20.593 1.00 49.22 ? 608 GLU A CD 1 ATOM 2023 O OE1 . GLU A 1 267 ? 27.666 17.949 21.518 1.00 52.08 ? 608 GLU A OE1 1 ATOM 2024 O OE2 . GLU A 1 267 ? 28.957 18.683 19.886 1.00 52.88 ? 608 GLU A OE2 1 ATOM 2025 N N . GLN A 1 268 ? 32.364 15.148 21.524 1.00 40.58 ? 609 GLN A N 1 ATOM 2026 C CA . GLN A 1 268 ? 33.698 15.501 21.035 1.00 41.68 ? 609 GLN A CA 1 ATOM 2027 C C . GLN A 1 268 ? 34.456 14.294 20.451 1.00 41.33 ? 609 GLN A C 1 ATOM 2028 O O . GLN A 1 268 ? 34.929 14.321 19.309 1.00 41.15 ? 609 GLN A O 1 ATOM 2029 C CB . GLN A 1 268 ? 34.464 16.159 22.185 1.00 42.00 ? 609 GLN A CB 1 ATOM 2030 C CG . GLN A 1 268 ? 35.944 16.402 21.968 1.00 47.61 ? 609 GLN A CG 1 ATOM 2031 C CD . GLN A 1 268 ? 36.679 16.744 23.272 1.00 51.97 ? 609 GLN A CD 1 ATOM 2032 O OE1 . GLN A 1 268 ? 36.406 17.772 23.903 1.00 55.13 ? 609 GLN A OE1 1 ATOM 2033 N NE2 . GLN A 1 268 ? 37.611 15.882 23.671 1.00 54.02 ? 609 GLN A NE2 1 ATOM 2034 N N . VAL A 1 269 ? 34.544 13.226 21.236 1.00 40.92 ? 610 VAL A N 1 ATOM 2035 C CA . VAL A 1 269 ? 35.224 12.013 20.824 1.00 40.12 ? 610 VAL A CA 1 ATOM 2036 C C . VAL A 1 269 ? 34.507 11.415 19.614 1.00 40.29 ? 610 VAL A C 1 ATOM 2037 O O . VAL A 1 269 ? 35.146 11.026 18.634 1.00 40.12 ? 610 VAL A O 1 ATOM 2038 C CB . VAL A 1 269 ? 35.278 11.009 21.992 1.00 40.01 ? 610 VAL A CB 1 ATOM 2039 C CG1 . VAL A 1 269 ? 35.778 9.652 21.557 1.00 38.19 ? 610 VAL A CG1 1 ATOM 2040 C CG2 . VAL A 1 269 ? 36.120 11.562 23.130 1.00 39.40 ? 610 VAL A CG2 1 ATOM 2041 N N . LEU A 1 270 ? 33.176 11.379 19.672 1.00 39.85 ? 611 LEU A N 1 ATOM 2042 C CA . LEU A 1 270 ? 32.368 10.872 18.565 1.00 40.14 ? 611 LEU A CA 1 ATOM 2043 C C . LEU A 1 270 ? 32.626 11.584 17.249 1.00 40.39 ? 611 LEU A C 1 ATOM 2044 O O . LEU A 1 270 ? 32.837 10.945 16.231 1.00 40.75 ? 611 LEU A O 1 ATOM 2045 C CB . LEU A 1 270 ? 30.878 10.961 18.896 1.00 40.17 ? 611 LEU A CB 1 ATOM 2046 C CG . LEU A 1 270 ? 30.311 9.667 19.465 1.00 39.97 ? 611 LEU A CG 1 ATOM 2047 C CD1 . LEU A 1 270 ? 31.238 9.155 20.530 1.00 42.65 ? 611 LEU A CD1 1 ATOM 2048 C CD2 . LEU A 1 270 ? 28.877 9.864 19.997 1.00 40.73 ? 611 LEU A CD2 1 ATOM 2049 N N . LEU A 1 271 ? 32.565 12.907 17.258 1.00 40.81 ? 612 LEU A N 1 ATOM 2050 C CA . LEU A 1 271 ? 32.843 13.659 16.043 1.00 41.95 ? 612 LEU A CA 1 ATOM 2051 C C . LEU A 1 271 ? 34.242 13.304 15.501 1.00 42.16 ? 612 LEU A C 1 ATOM 2052 O O . LEU A 1 271 ? 34.416 13.099 14.306 1.00 42.82 ? 612 LEU A O 1 ATOM 2053 C CB . LEU A 1 271 ? 32.684 15.161 16.293 1.00 41.78 ? 612 LEU A CB 1 ATOM 2054 C CG . LEU A 1 271 ? 31.257 15.568 16.707 1.00 42.51 ? 612 LEU A CG 1 ATOM 2055 C CD1 . LEU A 1 271 ? 31.151 17.059 17.024 1.00 42.01 ? 612 LEU A CD1 1 ATOM 2056 C CD2 . LEU A 1 271 ? 30.244 15.171 15.637 1.00 41.86 ? 612 LEU A CD2 1 ATOM 2057 N N . HIS A 1 272 ? 35.221 13.176 16.388 1.00 43.06 ? 613 HIS A N 1 ATOM 2058 C CA . HIS A 1 272 ? 36.578 12.847 15.966 1.00 43.56 ? 613 HIS A CA 1 ATOM 2059 C C . HIS A 1 272 ? 36.697 11.392 15.498 1.00 43.29 ? 613 HIS A C 1 ATOM 2060 O O . HIS A 1 272 ? 37.470 11.094 14.585 1.00 42.72 ? 613 HIS A O 1 ATOM 2061 C CB . HIS A 1 272 ? 37.577 13.153 17.079 1.00 44.48 ? 613 HIS A CB 1 ATOM 2062 C CG . HIS A 1 272 ? 38.992 12.789 16.743 1.00 48.03 ? 613 HIS A CG 1 ATOM 2063 N ND1 . HIS A 1 272 ? 39.607 13.180 15.570 1.00 51.24 ? 613 HIS A ND1 1 ATOM 2064 C CD2 . HIS A 1 272 ? 39.917 12.078 17.432 1.00 51.52 ? 613 HIS A CD2 1 ATOM 2065 C CE1 . HIS A 1 272 ? 40.846 12.719 15.549 1.00 51.41 ? 613 HIS A CE1 1 ATOM 2066 N NE2 . HIS A 1 272 ? 41.063 12.054 16.670 1.00 52.26 ? 613 HIS A NE2 1 ATOM 2067 N N . GLN A 1 273 ? 35.932 10.481 16.097 1.00 42.15 ? 614 GLN A N 1 ATOM 2068 C CA . GLN A 1 273 ? 35.996 9.084 15.657 1.00 41.91 ? 614 GLN A CA 1 ATOM 2069 C C . GLN A 1 273 ? 35.446 8.883 14.243 1.00 41.92 ? 614 GLN A C 1 ATOM 2070 O O . GLN A 1 273 ? 36.003 8.123 13.460 1.00 42.19 ? 614 GLN A O 1 ATOM 2071 C CB . GLN A 1 273 ? 35.262 8.146 16.627 1.00 41.80 ? 614 GLN A CB 1 ATOM 2072 C CG . GLN A 1 273 ? 36.015 7.837 17.900 1.00 40.53 ? 614 GLN A CG 1 ATOM 2073 C CD . GLN A 1 273 ? 37.366 7.178 17.654 1.00 40.31 ? 614 GLN A CD 1 ATOM 2074 O OE1 . GLN A 1 273 ? 37.448 6.110 17.040 1.00 37.33 ? 614 GLN A OE1 1 ATOM 2075 N NE2 . GLN A 1 273 ? 38.421 7.794 18.176 1.00 38.95 ? 614 GLN A NE2 1 ATOM 2076 N N . GLN A 1 274 ? 34.350 9.551 13.912 1.00 41.98 ? 615 GLN A N 1 ATOM 2077 C CA . GLN A 1 274 ? 33.789 9.378 12.580 1.00 42.61 ? 615 GLN A CA 1 ATOM 2078 C C . GLN A 1 274 ? 34.675 10.017 11.498 1.00 42.72 ? 615 GLN A C 1 ATOM 2079 O O . GLN A 1 274 ? 34.764 9.515 10.383 1.00 42.43 ? 615 GLN A O 1 ATOM 2080 C CB . GLN A 1 274 ? 32.325 9.825 12.497 1.00 42.10 ? 615 GLN A CB 1 ATOM 2081 C CG . GLN A 1 274 ? 32.044 11.296 12.707 1.00 43.12 ? 615 GLN A CG 1 ATOM 2082 C CD . GLN A 1 274 ? 30.566 11.601 12.522 1.00 43.85 ? 615 GLN A CD 1 ATOM 2083 O OE1 . GLN A 1 274 ? 29.782 10.696 12.241 1.00 44.77 ? 615 GLN A OE1 1 ATOM 2084 N NE2 . GLN A 1 274 ? 30.181 12.858 12.683 1.00 43.74 ? 615 GLN A NE2 1 ATOM 2085 N N . ALA A 1 275 ? 35.322 11.119 11.844 1.00 43.23 ? 616 ALA A N 1 ATOM 2086 C CA . ALA A 1 275 ? 36.273 11.741 10.942 1.00 44.11 ? 616 ALA A CA 1 ATOM 2087 C C . ALA A 1 275 ? 37.279 10.672 10.497 1.00 44.74 ? 616 ALA A C 1 ATOM 2088 O O . ALA A 1 275 ? 37.694 10.662 9.346 1.00 45.18 ? 616 ALA A O 1 ATOM 2089 C CB . ALA A 1 275 ? 36.967 12.912 11.623 1.00 44.18 ? 616 ALA A CB 1 ATOM 2090 N N . LEU A 1 276 ? 37.624 9.753 11.405 1.00 45.15 ? 617 LEU A N 1 ATOM 2091 C CA . LEU A 1 276 ? 38.528 8.632 11.124 1.00 45.57 ? 617 LEU A CA 1 ATOM 2092 C C . LEU A 1 276 ? 37.881 7.407 10.479 1.00 46.00 ? 617 LEU A C 1 ATOM 2093 O O . LEU A 1 276 ? 38.425 6.831 9.521 1.00 45.93 ? 617 LEU A O 1 ATOM 2094 C CB . LEU A 1 276 ? 39.174 8.125 12.413 1.00 45.49 ? 617 LEU A CB 1 ATOM 2095 C CG . LEU A 1 276 ? 39.914 9.094 13.316 1.00 46.80 ? 617 LEU A CG 1 ATOM 2096 C CD1 . LEU A 1 276 ? 40.672 8.304 14.368 1.00 47.48 ? 617 LEU A CD1 1 ATOM 2097 C CD2 . LEU A 1 276 ? 40.860 9.941 12.485 1.00 47.19 ? 617 LEU A CD2 1 ATOM 2098 N N . PHE A 1 277 ? 36.735 6.986 11.010 1.00 45.96 ? 618 PHE A N 1 ATOM 2099 C CA . PHE A 1 277 ? 36.139 5.734 10.551 1.00 46.16 ? 618 PHE A CA 1 ATOM 2100 C C . PHE A 1 277 ? 34.755 5.828 9.915 1.00 46.81 ? 618 PHE A C 1 ATOM 2101 O O . PHE A 1 277 ? 34.160 4.803 9.579 1.00 46.19 ? 618 PHE A O 1 ATOM 2102 C CB . PHE A 1 277 ? 36.131 4.710 11.688 1.00 45.95 ? 618 PHE A CB 1 ATOM 2103 C CG . PHE A 1 277 ? 37.415 4.646 12.454 1.00 44.96 ? 618 PHE A CG 1 ATOM 2104 C CD1 . PHE A 1 277 ? 38.540 4.070 11.895 1.00 45.28 ? 618 PHE A CD1 1 ATOM 2105 C CD2 . PHE A 1 277 ? 37.497 5.168 13.737 1.00 45.41 ? 618 PHE A CD2 1 ATOM 2106 C CE1 . PHE A 1 277 ? 39.731 4.004 12.600 1.00 46.67 ? 618 PHE A CE1 1 ATOM 2107 C CE2 . PHE A 1 277 ? 38.687 5.117 14.460 1.00 45.95 ? 618 PHE A CE2 1 ATOM 2108 C CZ . PHE A 1 277 ? 39.806 4.533 13.894 1.00 47.17 ? 618 PHE A CZ 1 ATOM 2109 N N . GLY A 1 278 ? 34.261 7.047 9.732 1.00 48.23 ? 619 GLY A N 1 ATOM 2110 C CA . GLY A 1 278 ? 32.977 7.273 9.084 1.00 50.53 ? 619 GLY A CA 1 ATOM 2111 C C . GLY A 1 278 ? 32.954 6.994 7.586 1.00 52.15 ? 619 GLY A C 1 ATOM 2112 O O . GLY A 1 278 ? 33.844 6.342 7.050 1.00 51.55 ? 619 GLY A O 1 ATOM 2113 N N . LYS A 1 279 ? 31.923 7.500 6.913 1.00 54.13 ? 620 LYS A N 1 ATOM 2114 C CA . LYS A 1 279 ? 31.715 7.273 5.471 1.00 56.24 ? 620 LYS A CA 1 ATOM 2115 C C . LYS A 1 279 ? 32.912 7.526 4.537 1.00 57.14 ? 620 LYS A C 1 ATOM 2116 O O . LYS A 1 279 ? 33.378 6.610 3.854 1.00 57.65 ? 620 LYS A O 1 ATOM 2117 C CB . LYS A 1 279 ? 30.485 8.033 4.992 1.00 56.52 ? 620 LYS A CB 1 ATOM 2118 C CG . LYS A 1 279 ? 30.106 7.715 3.565 1.00 58.62 ? 620 LYS A CG 1 ATOM 2119 C CD . LYS A 1 279 ? 28.636 7.373 3.485 1.00 61.05 ? 620 LYS A CD 1 ATOM 2120 C CE . LYS A 1 279 ? 28.100 7.699 2.114 1.00 63.86 ? 620 LYS A CE 1 ATOM 2121 N NZ . LYS A 1 279 ? 28.196 9.174 1.863 1.00 65.07 ? 620 LYS A NZ 1 ATOM 2122 N N . ASN A 1 280 ? 33.384 8.766 4.471 1.00 58.18 ? 621 ASN A N 1 ATOM 2123 C CA . ASN A 1 280 ? 34.596 9.070 3.696 1.00 59.16 ? 621 ASN A CA 1 ATOM 2124 C C . ASN A 1 280 ? 35.768 9.160 4.663 1.00 58.97 ? 621 ASN A C 1 ATOM 2125 O O . ASN A 1 280 ? 36.724 9.895 4.430 1.00 59.23 ? 621 ASN A O 1 ATOM 2126 C CB . ASN A 1 280 ? 34.471 10.401 2.937 1.00 59.55 ? 621 ASN A CB 1 ATOM 2127 C CG . ASN A 1 280 ? 33.352 10.398 1.911 1.00 60.72 ? 621 ASN A CG 1 ATOM 2128 O OD1 . ASN A 1 280 ? 32.514 11.307 1.886 1.00 62.87 ? 621 ASN A OD1 1 ATOM 2129 N ND2 . ASN A 1 280 ? 33.336 9.380 1.053 1.00 62.18 ? 621 ASN A ND2 1 ATOM 2130 N N . GLY A 1 281 ? 35.675 8.411 5.758 1.00 59.01 ? 622 GLY A N 1 ATOM 2131 C CA . GLY A 1 281 ? 36.661 8.444 6.824 1.00 58.79 ? 622 GLY A CA 1 ATOM 2132 C C . GLY A 1 281 ? 38.089 8.169 6.407 1.00 58.74 ? 622 GLY A C 1 ATOM 2133 O O . GLY A 1 281 ? 38.338 7.419 5.471 1.00 58.38 ? 622 GLY A O 1 ATOM 2134 N N . LYS A 1 282 ? 39.026 8.770 7.134 1.00 58.95 ? 623 LYS A N 1 ATOM 2135 C CA . LYS A 1 282 ? 40.448 8.636 6.847 1.00 59.36 ? 623 LYS A CA 1 ATOM 2136 C C . LYS A 1 282 ? 40.908 7.194 6.781 1.00 59.10 ? 623 LYS A C 1 ATOM 2137 O O . LYS A 1 282 ? 41.648 6.819 5.871 1.00 59.15 ? 623 LYS A O 1 ATOM 2138 C CB . LYS A 1 282 ? 41.283 9.371 7.897 1.00 59.73 ? 623 LYS A CB 1 ATOM 2139 C CG . LYS A 1 282 ? 41.813 10.727 7.470 1.00 61.09 ? 623 LYS A CG 1 ATOM 2140 C CD . LYS A 1 282 ? 40.749 11.805 7.465 1.00 63.94 ? 623 LYS A CD 1 ATOM 2141 C CE . LYS A 1 282 ? 41.395 13.195 7.438 1.00 65.11 ? 623 LYS A CE 1 ATOM 2142 N NZ . LYS A 1 282 ? 40.459 14.269 6.973 1.00 66.04 ? 623 LYS A NZ 1 ATOM 2143 N N . ASN A 1 283 ? 40.488 6.398 7.759 1.00 58.40 ? 624 ASN A N 1 ATOM 2144 C CA . ASN A 1 283 ? 40.884 5.004 7.834 1.00 57.80 ? 624 ASN A CA 1 ATOM 2145 C C . ASN A 1 283 ? 39.747 4.126 7.388 1.00 57.14 ? 624 ASN A C 1 ATOM 2146 O O . ASN A 1 283 ? 39.784 2.907 7.560 1.00 56.72 ? 624 ASN A O 1 ATOM 2147 C CB . ASN A 1 283 ? 41.310 4.630 9.248 1.00 58.07 ? 624 ASN A CB 1 ATOM 2148 C CG . ASN A 1 283 ? 42.642 5.228 9.624 1.00 59.27 ? 624 ASN A CG 1 ATOM 2149 O OD1 . ASN A 1 283 ? 42.866 5.605 10.777 1.00 60.42 ? 624 ASN A OD1 1 ATOM 2150 N ND2 . ASN A 1 283 ? 43.538 5.328 8.650 1.00 59.75 ? 624 ASN A ND2 1 ATOM 2151 N N . CYS A 1 284 ? 38.726 4.758 6.821 1.00 56.90 ? 625 CYS A N 1 ATOM 2152 C CA . CYS A 1 284 ? 37.614 3.987 6.314 1.00 56.76 ? 625 CYS A CA 1 ATOM 2153 C C . CYS A 1 284 ? 37.583 3.770 4.816 1.00 57.36 ? 625 CYS A C 1 ATOM 2154 O O . CYS A 1 284 ? 37.437 4.676 3.995 1.00 57.24 ? 625 CYS A O 1 ATOM 2155 C CB . CYS A 1 284 ? 36.234 4.371 6.867 1.00 56.28 ? 625 CYS A CB 1 ATOM 2156 S SG . CYS A 1 284 ? 34.875 3.409 6.105 1.00 53.91 ? 625 CYS A SG 1 ATOM 2157 N N . PRO A 1 285 ? 37.616 2.470 4.604 1.00 58.14 ? 626 PRO A N 1 ATOM 2158 C CA . PRO A 1 285 ? 37.658 1.213 3.869 1.00 58.78 ? 626 PRO A CA 1 ATOM 2159 C C . PRO A 1 285 ? 38.904 0.594 4.472 1.00 59.10 ? 626 PRO A C 1 ATOM 2160 O O . PRO A 1 285 ? 38.835 -0.390 5.209 1.00 59.35 ? 626 PRO A O 1 ATOM 2161 C CB . PRO A 1 285 ? 37.841 1.619 2.420 1.00 59.00 ? 626 PRO A CB 1 ATOM 2162 C CG . PRO A 1 285 ? 36.846 2.569 2.281 1.00 58.90 ? 626 PRO A CG 1 ATOM 2163 C CD . PRO A 1 285 ? 37.098 3.363 3.538 1.00 58.25 ? 626 PRO A CD 1 ATOM 2164 N N . ASP A 1 286 ? 40.015 1.283 4.254 1.00 59.08 ? 627 ASP A N 1 ATOM 2165 C CA . ASP A 1 286 ? 41.343 0.829 4.626 1.00 59.09 ? 627 ASP A CA 1 ATOM 2166 C C . ASP A 1 286 ? 41.501 0.068 5.945 1.00 58.64 ? 627 ASP A C 1 ATOM 2167 O O . ASP A 1 286 ? 41.957 -1.080 5.946 1.00 58.52 ? 627 ASP A O 1 ATOM 2168 C CB . ASP A 1 286 ? 42.322 2.005 4.570 1.00 59.67 ? 627 ASP A CB 1 ATOM 2169 C CG . ASP A 1 286 ? 43.566 1.672 3.792 1.00 60.51 ? 627 ASP A CG 1 ATOM 2170 O OD1 . ASP A 1 286 ? 43.651 0.521 3.318 1.00 62.01 ? 627 ASP A OD1 1 ATOM 2171 O OD2 . ASP A 1 286 ? 44.502 2.480 3.590 1.00 62.39 ? 627 ASP A OD2 1 ATOM 2172 N N . LYS A 1 287 ? 41.149 0.693 7.064 1.00 57.68 ? 628 LYS A N 1 ATOM 2173 C CA . LYS A 1 287 ? 41.362 0.039 8.351 1.00 56.64 ? 628 LYS A CA 1 ATOM 2174 C C . LYS A 1 287 ? 40.082 -0.411 9.032 1.00 55.29 ? 628 LYS A C 1 ATOM 2175 O O . LYS A 1 287 ? 39.921 -1.591 9.330 1.00 55.80 ? 628 LYS A O 1 ATOM 2176 C CB . LYS A 1 287 ? 42.173 0.934 9.289 1.00 57.15 ? 628 LYS A CB 1 ATOM 2177 C CG . LYS A 1 287 ? 43.688 0.778 9.145 1.00 58.87 ? 628 LYS A CG 1 ATOM 2178 C CD . LYS A 1 287 ? 44.197 -0.389 9.992 1.00 61.33 ? 628 LYS A CD 1 ATOM 2179 C CE . LYS A 1 287 ? 45.632 -0.769 9.640 1.00 62.08 ? 628 LYS A CE 1 ATOM 2180 N NZ . LYS A 1 287 ? 46.016 -2.065 10.280 1.00 62.88 ? 628 LYS A NZ 1 ATOM 2181 N N . PHE A 1 288 ? 39.167 0.520 9.264 1.00 53.49 ? 629 PHE A N 1 ATOM 2182 C CA . PHE A 1 288 ? 37.936 0.201 9.980 1.00 51.31 ? 629 PHE A CA 1 ATOM 2183 C C . PHE A 1 288 ? 36.833 1.138 9.551 1.00 50.38 ? 629 PHE A C 1 ATOM 2184 O O . PHE A 1 288 ? 37.073 2.312 9.265 1.00 50.08 ? 629 PHE A O 1 ATOM 2185 C CB . PHE A 1 288 ? 38.176 0.319 11.482 1.00 51.13 ? 629 PHE A CB 1 ATOM 2186 C CG . PHE A 1 288 ? 36.967 0.049 12.324 1.00 50.08 ? 629 PHE A CG 1 ATOM 2187 C CD1 . PHE A 1 288 ? 36.508 -1.243 12.509 1.00 50.04 ? 629 PHE A CD1 1 ATOM 2188 C CD2 . PHE A 1 288 ? 36.304 1.090 12.954 1.00 48.90 ? 629 PHE A CD2 1 ATOM 2189 C CE1 . PHE A 1 288 ? 35.400 -1.490 13.303 1.00 49.46 ? 629 PHE A CE1 1 ATOM 2190 C CE2 . PHE A 1 288 ? 35.209 0.849 13.740 1.00 48.64 ? 629 PHE A CE2 1 ATOM 2191 C CZ . PHE A 1 288 ? 34.755 -0.448 13.914 1.00 48.49 ? 629 PHE A CZ 1 ATOM 2192 N N . CYS A 1 289 ? 35.621 0.602 9.489 1.00 48.96 ? 630 CYS A N 1 ATOM 2193 C CA . CYS A 1 289 ? 34.457 1.375 9.108 1.00 48.01 ? 630 CYS A CA 1 ATOM 2194 C C . CYS A 1 289 ? 33.417 1.256 10.219 1.00 46.53 ? 630 CYS A C 1 ATOM 2195 O O . CYS A 1 289 ? 32.914 0.168 10.484 1.00 45.60 ? 630 CYS A O 1 ATOM 2196 C CB . CYS A 1 289 ? 33.909 0.858 7.777 1.00 48.56 ? 630 CYS A CB 1 ATOM 2197 S SG . CYS A 1 289 ? 34.900 1.366 6.332 1.00 51.41 ? 630 CYS A SG 1 ATOM 2198 N N . LEU A 1 290 ? 33.106 2.378 10.859 1.00 45.07 ? 631 LEU A N 1 ATOM 2199 C CA . LEU A 1 290 ? 32.181 2.398 11.989 1.00 44.09 ? 631 LEU A CA 1 ATOM 2200 C C . LEU A 1 290 ? 30.759 2.070 11.565 1.00 44.15 ? 631 LEU A C 1 ATOM 2201 O O . LEU A 1 290 ? 29.971 1.554 12.353 1.00 44.07 ? 631 LEU A O 1 ATOM 2202 C CB . LEU A 1 290 ? 32.171 3.785 12.632 1.00 43.70 ? 631 LEU A CB 1 ATOM 2203 C CG . LEU A 1 290 ? 32.333 3.939 14.152 1.00 43.19 ? 631 LEU A CG 1 ATOM 2204 C CD1 . LEU A 1 290 ? 31.615 5.182 14.644 1.00 42.98 ? 631 LEU A CD1 1 ATOM 2205 C CD2 . LEU A 1 290 ? 31.875 2.740 14.929 1.00 43.33 ? 631 LEU A CD2 1 ATOM 2206 N N . PHE A 1 291 ? 30.425 2.389 10.321 1.00 43.82 ? 632 PHE A N 1 ATOM 2207 C CA . PHE A 1 291 ? 29.052 2.252 9.875 1.00 44.09 ? 632 PHE A CA 1 ATOM 2208 C C . PHE A 1 291 ? 28.818 1.049 8.954 1.00 44.81 ? 632 PHE A C 1 ATOM 2209 O O . PHE A 1 291 ? 27.840 1.017 8.202 1.00 45.36 ? 632 PHE A O 1 ATOM 2210 C CB . PHE A 1 291 ? 28.565 3.561 9.245 1.00 43.27 ? 632 PHE A CB 1 ATOM 2211 C CG . PHE A 1 291 ? 28.696 4.764 10.150 1.00 42.95 ? 632 PHE A CG 1 ATOM 2212 C CD1 . PHE A 1 291 ? 28.315 4.701 11.485 1.00 42.13 ? 632 PHE A CD1 1 ATOM 2213 C CD2 . PHE A 1 291 ? 29.202 5.969 9.659 1.00 43.02 ? 632 PHE A CD2 1 ATOM 2214 C CE1 . PHE A 1 291 ? 28.439 5.809 12.316 1.00 43.72 ? 632 PHE A CE1 1 ATOM 2215 C CE2 . PHE A 1 291 ? 29.326 7.072 10.475 1.00 43.20 ? 632 PHE A CE2 1 ATOM 2216 C CZ . PHE A 1 291 ? 28.941 6.994 11.817 1.00 44.00 ? 632 PHE A CZ 1 ATOM 2217 N N . LYS A 1 292 ? 29.717 0.071 9.018 1.00 45.40 ? 633 LYS A N 1 ATOM 2218 C CA . LYS A 1 292 ? 29.555 -1.187 8.281 1.00 46.33 ? 633 LYS A CA 1 ATOM 2219 C C . LYS A 1 292 ? 29.641 -2.409 9.212 1.00 46.40 ? 633 LYS A C 1 ATOM 2220 O O . LYS A 1 292 ? 30.338 -2.384 10.229 1.00 45.81 ? 633 LYS A O 1 ATOM 2221 C CB . LYS A 1 292 ? 30.558 -1.304 7.122 1.00 46.91 ? 633 LYS A CB 1 ATOM 2222 C CG . LYS A 1 292 ? 30.242 -0.390 5.946 1.00 48.55 ? 633 LYS A CG 1 ATOM 2223 C CD . LYS A 1 292 ? 28.779 -0.572 5.500 1.00 52.32 ? 633 LYS A CD 1 ATOM 2224 C CE . LYS A 1 292 ? 28.362 0.451 4.446 1.00 53.82 ? 633 LYS A CE 1 ATOM 2225 N NZ . LYS A 1 292 ? 26.899 0.357 4.158 1.00 54.85 ? 633 LYS A NZ 1 ATOM 2226 N N . SER A 1 293 ? 28.888 -3.450 8.862 1.00 47.13 ? 634 SER A N 1 ATOM 2227 C CA . SER A 1 293 ? 28.837 -4.724 9.583 1.00 47.98 ? 634 SER A CA 1 ATOM 2228 C C . SER A 1 293 ? 27.940 -5.709 8.828 1.00 49.46 ? 634 SER A C 1 ATOM 2229 O O . SER A 1 293 ? 27.089 -6.384 9.427 1.00 50.08 ? 634 SER A O 1 ATOM 2230 C CB . SER A 1 293 ? 28.309 -4.556 11.015 1.00 48.12 ? 634 SER A CB 1 ATOM 2231 O OG . SER A 1 293 ? 27.097 -3.829 11.058 1.00 44.42 ? 634 SER A OG 1 ATOM 2232 N N . GLU A 1 294 ? 28.119 -5.771 7.511 1.00 50.16 ? 635 GLU A N 1 ATOM 2233 C CA . GLU A 1 294 ? 27.351 -6.675 6.647 1.00 51.08 ? 635 GLU A CA 1 ATOM 2234 C C . GLU A 1 294 ? 25.852 -6.719 6.947 1.00 50.52 ? 635 GLU A C 1 ATOM 2235 O O . GLU A 1 294 ? 25.345 -7.744 7.406 1.00 51.12 ? 635 GLU A O 1 ATOM 2236 C CB . GLU A 1 294 ? 27.914 -8.100 6.724 1.00 51.44 ? 635 GLU A CB 1 ATOM 2237 C CG . GLU A 1 294 ? 29.413 -8.174 6.984 1.00 54.40 ? 635 GLU A CG 1 ATOM 2238 C CD . GLU A 1 294 ? 29.851 -9.566 7.398 1.00 57.88 ? 635 GLU A CD 1 ATOM 2239 O OE1 . GLU A 1 294 ? 29.116 -10.195 8.191 1.00 59.38 ? 635 GLU A OE1 1 ATOM 2240 O OE2 . GLU A 1 294 ? 30.918 -10.036 6.929 1.00 58.71 ? 635 GLU A OE2 1 ATOM 2241 N N . THR A 1 295 ? 25.153 -5.615 6.704 1.00 49.59 ? 636 THR A N 1 ATOM 2242 C CA . THR A 1 295 ? 23.694 -5.557 6.865 1.00 48.70 ? 636 THR A CA 1 ATOM 2243 C C . THR A 1 295 ? 23.186 -5.954 8.243 1.00 47.25 ? 636 THR A C 1 ATOM 2244 O O . THR A 1 295 ? 21.976 -6.107 8.445 1.00 47.53 ? 636 THR A O 1 ATOM 2245 C CB . THR A 1 295 ? 23.015 -6.477 5.851 1.00 49.21 ? 636 THR A CB 1 ATOM 2246 O OG1 . THR A 1 295 ? 23.282 -7.842 6.204 1.00 50.80 ? 636 THR A OG1 1 ATOM 2247 C CG2 . THR A 1 295 ? 23.646 -6.326 4.473 1.00 49.88 ? 636 THR A CG2 1 ATOM 2248 N N . LYS A 1 296 ? 24.099 -6.128 9.189 1.00 44.81 ? 637 LYS A N 1 ATOM 2249 C CA . LYS A 1 296 ? 23.719 -6.592 10.506 1.00 42.00 ? 637 LYS A CA 1 ATOM 2250 C C . LYS A 1 296 ? 23.444 -5.442 11.462 1.00 39.63 ? 637 LYS A C 1 ATOM 2251 O O . LYS A 1 296 ? 23.006 -5.662 12.583 1.00 38.65 ? 637 LYS A O 1 ATOM 2252 C CB . LYS A 1 296 ? 24.792 -7.539 11.054 1.00 42.67 ? 637 LYS A CB 1 ATOM 2253 C CG . LYS A 1 296 ? 24.819 -8.877 10.329 1.00 44.68 ? 637 LYS A CG 1 ATOM 2254 C CD . LYS A 1 296 ? 25.736 -9.857 11.006 1.00 48.78 ? 637 LYS A CD 1 ATOM 2255 C CE . LYS A 1 296 ? 27.090 -9.879 10.357 1.00 50.05 ? 637 LYS A CE 1 ATOM 2256 N NZ . LYS A 1 296 ? 27.591 -11.289 10.403 1.00 52.87 ? 637 LYS A NZ 1 ATOM 2257 N N . ASN A 1 297 ? 23.734 -4.225 11.012 1.00 36.91 ? 638 ASN A N 1 ATOM 2258 C CA . ASN A 1 297 ? 23.402 -3.024 11.767 1.00 35.19 ? 638 ASN A CA 1 ATOM 2259 C C . ASN A 1 297 ? 23.961 -3.103 13.181 1.00 33.72 ? 638 ASN A C 1 ATOM 2260 O O . ASN A 1 297 ? 23.223 -2.932 14.145 1.00 33.42 ? 638 ASN A O 1 ATOM 2261 C CB . ASN A 1 297 ? 21.867 -2.809 11.808 1.00 34.68 ? 638 ASN A CB 1 ATOM 2262 C CG . ASN A 1 297 ? 21.268 -2.479 10.423 1.00 34.92 ? 638 ASN A CG 1 ATOM 2263 O OD1 . ASN A 1 297 ? 21.807 -1.658 9.684 1.00 35.73 ? 638 ASN A OD1 1 ATOM 2264 N ND2 . ASN A 1 297 ? 20.118 -3.089 10.097 1.00 35.79 ? 638 ASN A ND2 1 ATOM 2265 N N . LEU A 1 298 ? 25.266 -3.353 13.302 1.00 31.54 ? 639 LEU A N 1 ATOM 2266 C CA . LEU A 1 298 ? 25.888 -3.449 14.623 1.00 31.34 ? 639 LEU A CA 1 ATOM 2267 C C . LEU A 1 298 ? 26.414 -2.108 15.124 1.00 30.68 ? 639 LEU A C 1 ATOM 2268 O O . LEU A 1 298 ? 27.177 -1.433 14.432 1.00 30.90 ? 639 LEU A O 1 ATOM 2269 C CB . LEU A 1 298 ? 26.992 -4.511 14.647 1.00 30.77 ? 639 LEU A CB 1 ATOM 2270 C CG . LEU A 1 298 ? 26.611 -5.933 14.235 1.00 31.57 ? 639 LEU A CG 1 ATOM 2271 C CD1 . LEU A 1 298 ? 27.873 -6.802 14.055 1.00 32.10 ? 639 LEU A CD1 1 ATOM 2272 C CD2 . LEU A 1 298 ? 25.680 -6.573 15.263 1.00 32.15 ? 639 LEU A CD2 1 ATOM 2273 N N . LEU A 1 299 ? 25.993 -1.736 16.331 1.00 29.42 ? 640 LEU A N 1 ATOM 2274 C CA . LEU A 1 299 ? 26.303 -0.450 16.963 1.00 28.34 ? 640 LEU A CA 1 ATOM 2275 C C . LEU A 1 299 ? 25.579 0.719 16.325 1.00 27.97 ? 640 LEU A C 1 ATOM 2276 O O . LEU A 1 299 ? 25.048 1.567 17.031 1.00 28.56 ? 640 LEU A O 1 ATOM 2277 C CB . LEU A 1 299 ? 27.822 -0.174 17.047 1.00 27.87 ? 640 LEU A CB 1 ATOM 2278 C CG . LEU A 1 299 ? 28.701 -1.177 17.789 1.00 27.60 ? 640 LEU A CG 1 ATOM 2279 C CD1 . LEU A 1 299 ? 30.157 -0.647 17.779 1.00 26.84 ? 640 LEU A CD1 1 ATOM 2280 C CD2 . LEU A 1 299 ? 28.266 -1.437 19.273 1.00 25.58 ? 640 LEU A CD2 1 ATOM 2281 N N . PHE A 1 300 ? 25.607 0.788 14.995 1.00 27.68 ? 641 PHE A N 1 ATOM 2282 C CA . PHE A 1 300 ? 24.925 1.818 14.227 1.00 27.76 ? 641 PHE A CA 1 ATOM 2283 C C . PHE A 1 300 ? 24.239 1.165 13.059 1.00 27.83 ? 641 PHE A C 1 ATOM 2284 O O . PHE A 1 300 ? 24.616 0.090 12.647 1.00 28.09 ? 641 PHE A O 1 ATOM 2285 C CB . PHE A 1 300 ? 25.908 2.864 13.673 1.00 27.24 ? 641 PHE A CB 1 ATOM 2286 C CG . PHE A 1 300 ? 26.705 3.551 14.731 1.00 28.11 ? 641 PHE A CG 1 ATOM 2287 C CD1 . PHE A 1 300 ? 26.199 4.684 15.361 1.00 28.43 ? 641 PHE A CD1 1 ATOM 2288 C CD2 . PHE A 1 300 ? 27.910 3.035 15.140 1.00 27.51 ? 641 PHE A CD2 1 ATOM 2289 C CE1 . PHE A 1 300 ? 26.898 5.309 16.339 1.00 25.89 ? 641 PHE A CE1 1 ATOM 2290 C CE2 . PHE A 1 300 ? 28.626 3.653 16.137 1.00 27.34 ? 641 PHE A CE2 1 ATOM 2291 C CZ . PHE A 1 300 ? 28.144 4.792 16.725 1.00 27.62 ? 641 PHE A CZ 1 ATOM 2292 N N . ASN A 1 301 ? 23.198 1.791 12.538 1.00 29.26 ? 642 ASN A N 1 ATOM 2293 C CA . ASN A 1 301 ? 22.617 1.277 11.312 1.00 30.29 ? 642 ASN A CA 1 ATOM 2294 C C . ASN A 1 301 ? 23.628 1.377 10.170 1.00 31.28 ? 642 ASN A C 1 ATOM 2295 O O . ASN A 1 301 ? 24.314 2.391 10.029 1.00 30.80 ? 642 ASN A O 1 ATOM 2296 C CB . ASN A 1 301 ? 21.386 2.063 10.949 1.00 29.81 ? 642 ASN A CB 1 ATOM 2297 C CG . ASN A 1 301 ? 20.212 1.686 11.813 1.00 29.52 ? 642 ASN A CG 1 ATOM 2298 O OD1 . ASN A 1 301 ? 19.901 0.497 11.960 1.00 28.55 ? 642 ASN A OD1 1 ATOM 2299 N ND2 . ASN A 1 301 ? 19.574 2.682 12.408 1.00 27.50 ? 642 ASN A ND2 1 ATOM 2300 N N . ASP A 1 302 ? 23.678 0.340 9.341 1.00 32.72 ? 643 ASP A N 1 ATOM 2301 C CA . ASP A 1 302 ? 24.614 0.316 8.211 1.00 34.53 ? 643 ASP A CA 1 ATOM 2302 C C . ASP A 1 302 ? 24.398 1.421 7.173 1.00 34.96 ? 643 ASP A C 1 ATOM 2303 O O . ASP A 1 302 ? 25.337 1.785 6.455 1.00 36.54 ? 643 ASP A O 1 ATOM 2304 C CB . ASP A 1 302 ? 24.603 -1.051 7.562 1.00 34.57 ? 643 ASP A CB 1 ATOM 2305 C CG . ASP A 1 302 ? 25.218 -2.116 8.454 1.00 37.11 ? 643 ASP A CG 1 ATOM 2306 O OD1 . ASP A 1 302 ? 25.884 -1.789 9.472 1.00 38.59 ? 643 ASP A OD1 1 ATOM 2307 O OD2 . ASP A 1 302 ? 25.094 -3.322 8.214 1.00 41.41 ? 643 ASP A OD2 1 ATOM 2308 N N . ASN A 1 303 ? 23.188 1.968 7.087 1.00 35.26 ? 644 ASN A N 1 ATOM 2309 C CA . ASN A 1 303 ? 22.941 3.077 6.164 1.00 35.70 ? 644 ASN A CA 1 ATOM 2310 C C . ASN A 1 303 ? 23.281 4.475 6.715 1.00 35.74 ? 644 ASN A C 1 ATOM 2311 O O . ASN A 1 303 ? 22.972 5.478 6.085 1.00 35.54 ? 644 ASN A O 1 ATOM 2312 C CB . ASN A 1 303 ? 21.500 3.053 5.680 1.00 36.20 ? 644 ASN A CB 1 ATOM 2313 C CG . ASN A 1 303 ? 20.519 3.326 6.788 1.00 36.74 ? 644 ASN A CG 1 ATOM 2314 O OD1 . ASN A 1 303 ? 20.898 3.452 7.947 1.00 36.61 ? 644 ASN A OD1 1 ATOM 2315 N ND2 . ASN A 1 303 ? 19.256 3.417 6.440 1.00 38.38 ? 644 ASN A ND2 1 ATOM 2316 N N . THR A 1 304 ? 23.880 4.551 7.901 1.00 35.63 ? 645 THR A N 1 ATOM 2317 C CA . THR A 1 304 ? 24.247 5.851 8.461 1.00 35.96 ? 645 THR A CA 1 ATOM 2318 C C . THR A 1 304 ? 25.384 6.506 7.677 1.00 36.62 ? 645 THR A C 1 ATOM 2319 O O . THR A 1 304 ? 26.418 5.899 7.475 1.00 36.57 ? 645 THR A O 1 ATOM 2320 C CB . THR A 1 304 ? 24.714 5.712 9.916 1.00 35.78 ? 645 THR A CB 1 ATOM 2321 O OG1 . THR A 1 304 ? 23.703 5.042 10.697 1.00 33.68 ? 645 THR A OG1 1 ATOM 2322 C CG2 . THR A 1 304 ? 24.863 7.103 10.537 1.00 34.82 ? 645 THR A CG2 1 ATOM 2323 N N . GLU A 1 305 ? 25.199 7.746 7.259 1.00 37.76 ? 646 GLU A N 1 ATOM 2324 C CA . GLU A 1 305 ? 26.262 8.465 6.557 1.00 39.61 ? 646 GLU A CA 1 ATOM 2325 C C . GLU A 1 305 ? 27.156 9.090 7.607 1.00 39.64 ? 646 GLU A C 1 ATOM 2326 O O . GLU A 1 305 ? 28.386 9.058 7.507 1.00 40.27 ? 646 GLU A O 1 ATOM 2327 C CB . GLU A 1 305 ? 25.672 9.558 5.666 1.00 40.03 ? 646 GLU A CB 1 ATOM 2328 C CG . GLU A 1 305 ? 26.728 10.391 4.938 1.00 44.64 ? 646 GLU A CG 1 ATOM 2329 C CD . GLU A 1 305 ? 26.177 11.694 4.382 1.00 48.42 ? 646 GLU A CD 1 ATOM 2330 O OE1 . GLU A 1 305 ? 24.962 11.937 4.543 1.00 50.77 ? 646 GLU A OE1 1 ATOM 2331 O OE2 . GLU A 1 305 ? 26.957 12.484 3.790 1.00 51.43 ? 646 GLU A OE2 1 ATOM 2332 N N . CYS A 1 306 ? 26.529 9.638 8.640 1.00 39.33 ? 647 CYS A N 1 ATOM 2333 C CA . CYS A 1 306 ? 27.259 10.254 9.731 1.00 39.54 ? 647 CYS A CA 1 ATOM 2334 C C . CYS A 1 306 ? 26.371 10.445 10.954 1.00 38.54 ? 647 CYS A C 1 ATOM 2335 O O . CYS A 1 306 ? 25.147 10.297 10.892 1.00 38.22 ? 647 CYS A O 1 ATOM 2336 C CB . CYS A 1 306 ? 27.756 11.630 9.307 1.00 40.33 ? 647 CYS A CB 1 ATOM 2337 S SG . CYS A 1 306 ? 26.448 12.867 9.354 1.00 44.97 ? 647 CYS A SG 1 ATOM 2338 N N . LEU A 1 307 ? 27.012 10.806 12.055 1.00 37.74 ? 648 LEU A N 1 ATOM 2339 C CA . LEU A 1 307 ? 26.327 11.172 13.278 1.00 37.47 ? 648 LEU A CA 1 ATOM 2340 C C . LEU A 1 307 ? 26.285 12.702 13.274 1.00 37.91 ? 648 LEU A C 1 ATOM 2341 O O . LEU A 1 307 ? 27.335 13.380 13.220 1.00 39.10 ? 648 LEU A O 1 ATOM 2342 C CB . LEU A 1 307 ? 27.083 10.627 14.482 1.00 36.91 ? 648 LEU A CB 1 ATOM 2343 C CG . LEU A 1 307 ? 27.156 9.100 14.552 1.00 36.14 ? 648 LEU A CG 1 ATOM 2344 C CD1 . LEU A 1 307 ? 28.159 8.639 15.598 1.00 36.30 ? 648 LEU A CD1 1 ATOM 2345 C CD2 . LEU A 1 307 ? 25.768 8.539 14.869 1.00 37.84 ? 648 LEU A CD2 1 ATOM 2346 N N . ALA A 1 308 ? 25.082 13.252 13.312 1.00 36.61 ? 649 ALA A N 1 ATOM 2347 C CA . ALA A 1 308 ? 24.911 14.687 13.192 1.00 36.27 ? 649 ALA A CA 1 ATOM 2348 C C . ALA A 1 308 ? 24.566 15.393 14.481 1.00 36.57 ? 649 ALA A C 1 ATOM 2349 O O . ALA A 1 308 ? 23.869 14.852 15.360 1.00 36.04 ? 649 ALA A O 1 ATOM 2350 C CB . ALA A 1 308 ? 23.864 14.994 12.146 1.00 35.89 ? 649 ALA A CB 1 ATOM 2351 N N . LYS A 1 309 ? 25.046 16.622 14.579 1.00 37.24 ? 650 LYS A N 1 ATOM 2352 C CA . LYS A 1 309 ? 24.769 17.471 15.717 1.00 38.31 ? 650 LYS A CA 1 ATOM 2353 C C . LYS A 1 309 ? 23.269 17.656 15.787 1.00 39.40 ? 650 LYS A C 1 ATOM 2354 O O . LYS A 1 309 ? 22.578 17.608 14.761 1.00 39.34 ? 650 LYS A O 1 ATOM 2355 C CB . LYS A 1 309 ? 25.466 18.824 15.559 1.00 39.20 ? 650 LYS A CB 1 ATOM 2356 C CG . LYS A 1 309 ? 27.000 18.765 15.649 1.00 39.83 ? 650 LYS A CG 1 ATOM 2357 C CD . LYS A 1 309 ? 27.601 20.125 15.297 1.00 42.74 ? 650 LYS A CD 1 ATOM 2358 C CE . LYS A 1 309 ? 29.044 20.250 15.744 1.00 44.11 ? 650 LYS A CE 1 ATOM 2359 N NZ . LYS A 1 309 ? 29.360 21.649 16.170 1.00 46.49 ? 650 LYS A NZ 1 ATOM 2360 N N . LEU A 1 310 ? 22.759 17.858 16.994 1.00 39.90 ? 651 LEU A N 1 ATOM 2361 C CA . LEU A 1 310 ? 21.326 18.011 17.193 1.00 41.15 ? 651 LEU A CA 1 ATOM 2362 C C . LEU A 1 310 ? 20.872 19.461 17.055 1.00 42.00 ? 651 LEU A C 1 ATOM 2363 O O . LEU A 1 310 ? 21.683 20.373 17.054 1.00 42.64 ? 651 LEU A O 1 ATOM 2364 C CB . LEU A 1 310 ? 20.917 17.433 18.550 1.00 40.90 ? 651 LEU A CB 1 ATOM 2365 C CG . LEU A 1 310 ? 21.181 15.924 18.629 1.00 40.37 ? 651 LEU A CG 1 ATOM 2366 C CD1 . LEU A 1 310 ? 20.942 15.379 20.014 1.00 40.30 ? 651 LEU A CD1 1 ATOM 2367 C CD2 . LEU A 1 310 ? 20.309 15.210 17.614 1.00 39.56 ? 651 LEU A CD2 1 ATOM 2368 N N . GLY A 1 311 ? 19.568 19.664 16.927 1.00 42.86 ? 652 GLY A N 1 ATOM 2369 C CA . GLY A 1 311 ? 19.036 21.005 16.795 1.00 43.40 ? 652 GLY A CA 1 ATOM 2370 C C . GLY A 1 311 ? 18.430 21.536 18.073 1.00 43.61 ? 652 GLY A C 1 ATOM 2371 O O . GLY A 1 311 ? 17.416 21.005 18.559 1.00 44.65 ? 652 GLY A O 1 ATOM 2372 N N . GLY A 1 312 ? 19.053 22.580 18.623 1.00 43.18 ? 653 GLY A N 1 ATOM 2373 C CA . GLY A 1 312 ? 18.538 23.261 19.800 1.00 42.23 ? 653 GLY A CA 1 ATOM 2374 C C . GLY A 1 312 ? 18.695 22.504 21.107 1.00 41.37 ? 653 GLY A C 1 ATOM 2375 O O . GLY A 1 312 ? 17.762 22.469 21.919 1.00 41.94 ? 653 GLY A O 1 ATOM 2376 N N . ARG A 1 313 ? 19.886 21.939 21.317 1.00 40.20 ? 654 ARG A N 1 ATOM 2377 C CA . ARG A 1 313 ? 20.192 21.101 22.482 1.00 39.03 ? 654 ARG A CA 1 ATOM 2378 C C . ARG A 1 313 ? 18.928 20.534 23.097 1.00 37.18 ? 654 ARG A C 1 ATOM 2379 O O . ARG A 1 313 ? 18.568 20.891 24.219 1.00 36.26 ? 654 ARG A O 1 ATOM 2380 C CB . ARG A 1 313 ? 20.994 21.880 23.525 1.00 40.02 ? 654 ARG A CB 1 ATOM 2381 C CG . ARG A 1 313 ? 22.317 22.411 23.010 1.00 43.53 ? 654 ARG A CG 1 ATOM 2382 C CD . ARG A 1 313 ? 23.028 23.370 23.957 1.00 48.92 ? 654 ARG A CD 1 ATOM 2383 N NE . ARG A 1 313 ? 24.442 23.435 23.608 1.00 54.36 ? 654 ARG A NE 1 ATOM 2384 C CZ . ARG A 1 313 ? 25.331 22.527 23.988 1.00 56.31 ? 654 ARG A CZ 1 ATOM 2385 N NH1 . ARG A 1 313 ? 24.946 21.515 24.756 1.00 56.77 ? 654 ARG A NH1 1 ATOM 2386 N NH2 . ARG A 1 313 ? 26.600 22.634 23.613 1.00 57.64 ? 654 ARG A NH2 1 ATOM 2387 N N . PRO A 1 314 ? 18.286 19.601 22.391 1.00 35.52 ? 655 PRO A N 1 ATOM 2388 C CA . PRO A 1 314 ? 16.965 19.114 22.801 1.00 34.48 ? 655 PRO A CA 1 ATOM 2389 C C . PRO A 1 314 ? 16.957 18.145 23.967 1.00 33.57 ? 655 PRO A C 1 ATOM 2390 O O . PRO A 1 314 ? 17.854 17.298 24.114 1.00 32.57 ? 655 PRO A O 1 ATOM 2391 C CB . PRO A 1 314 ? 16.444 18.405 21.543 1.00 34.43 ? 655 PRO A CB 1 ATOM 2392 C CG . PRO A 1 314 ? 17.638 17.993 20.808 1.00 36.00 ? 655 PRO A CG 1 ATOM 2393 C CD . PRO A 1 314 ? 18.787 18.910 21.195 1.00 35.38 ? 655 PRO A CD 1 ATOM 2394 N N . THR A 1 315 ? 15.921 18.264 24.791 1.00 31.98 ? 656 THR A N 1 ATOM 2395 C CA . THR A 1 315 ? 15.689 17.293 25.817 1.00 31.02 ? 656 THR A CA 1 ATOM 2396 C C . THR A 1 315 ? 15.263 16.046 25.062 1.00 31.28 ? 656 THR A C 1 ATOM 2397 O O . THR A 1 315 ? 14.970 16.087 23.862 1.00 30.88 ? 656 THR A O 1 ATOM 2398 C CB . THR A 1 315 ? 14.516 17.700 26.709 1.00 31.11 ? 656 THR A CB 1 ATOM 2399 O OG1 . THR A 1 315 ? 13.328 17.798 25.892 1.00 29.74 ? 656 THR A OG1 1 ATOM 2400 C CG2 . THR A 1 315 ? 14.718 19.103 27.270 1.00 29.28 ? 656 THR A CG2 1 ATOM 2401 N N . TYR A 1 316 ? 15.168 14.941 25.768 1.00 31.03 ? 657 TYR A N 1 ATOM 2402 C CA . TYR A 1 316 ? 14.793 13.716 25.103 1.00 31.92 ? 657 TYR A CA 1 ATOM 2403 C C . TYR A 1 316 ? 13.373 13.837 24.530 1.00 32.19 ? 657 TYR A C 1 ATOM 2404 O O . TYR A 1 316 ? 13.066 13.305 23.444 1.00 31.51 ? 657 TYR A O 1 ATOM 2405 C CB . TYR A 1 316 ? 14.960 12.523 26.055 1.00 31.95 ? 657 TYR A CB 1 ATOM 2406 C CG . TYR A 1 316 ? 13.789 12.257 26.959 1.00 33.43 ? 657 TYR A CG 1 ATOM 2407 C CD1 . TYR A 1 316 ? 12.755 11.414 26.563 1.00 33.87 ? 657 TYR A CD1 1 ATOM 2408 C CD2 . TYR A 1 316 ? 13.727 12.834 28.219 1.00 34.29 ? 657 TYR A CD2 1 ATOM 2409 C CE1 . TYR A 1 316 ? 11.675 11.167 27.410 1.00 36.45 ? 657 TYR A CE1 1 ATOM 2410 C CE2 . TYR A 1 316 ? 12.669 12.584 29.067 1.00 35.43 ? 657 TYR A CE2 1 ATOM 2411 C CZ . TYR A 1 316 ? 11.651 11.760 28.667 1.00 37.56 ? 657 TYR A CZ 1 ATOM 2412 O OH . TYR A 1 316 ? 10.598 11.557 29.526 1.00 40.06 ? 657 TYR A OH 1 ATOM 2413 N N . GLU A 1 317 ? 12.518 14.563 25.242 1.00 32.37 ? 658 GLU A N 1 ATOM 2414 C CA . GLU A 1 317 ? 11.149 14.764 24.788 1.00 33.50 ? 658 GLU A CA 1 ATOM 2415 C C . GLU A 1 317 ? 11.059 15.584 23.518 1.00 33.19 ? 658 GLU A C 1 ATOM 2416 O O . GLU A 1 317 ? 10.204 15.304 22.662 1.00 33.21 ? 658 GLU A O 1 ATOM 2417 C CB . GLU A 1 317 ? 10.271 15.408 25.863 1.00 33.79 ? 658 GLU A CB 1 ATOM 2418 C CG . GLU A 1 317 ? 10.156 14.605 27.141 1.00 37.41 ? 658 GLU A CG 1 ATOM 2419 C CD . GLU A 1 317 ? 10.924 15.227 28.310 1.00 43.71 ? 658 GLU A CD 1 ATOM 2420 O OE1 . GLU A 1 317 ? 10.327 15.324 29.402 1.00 46.06 ? 658 GLU A OE1 1 ATOM 2421 O OE2 . GLU A 1 317 ? 12.113 15.616 28.150 1.00 43.22 ? 658 GLU A OE2 1 ATOM 2422 N N . GLU A 1 318 ? 11.923 16.588 23.388 1.00 32.51 ? 659 GLU A N 1 ATOM 2423 C CA . GLU A 1 318 ? 11.908 17.418 22.194 1.00 32.78 ? 659 GLU A CA 1 ATOM 2424 C C . GLU A 1 318 ? 12.460 16.605 21.042 1.00 32.91 ? 659 GLU A C 1 ATOM 2425 O O . GLU A 1 318 ? 11.979 16.720 19.919 1.00 31.76 ? 659 GLU A O 1 ATOM 2426 C CB . GLU A 1 318 ? 12.732 18.705 22.377 1.00 32.14 ? 659 GLU A CB 1 ATOM 2427 C CG . GLU A 1 318 ? 12.125 19.705 23.350 1.00 32.00 ? 659 GLU A CG 1 ATOM 2428 C CD . GLU A 1 318 ? 13.057 20.856 23.678 1.00 32.13 ? 659 GLU A CD 1 ATOM 2429 O OE1 . GLU A 1 318 ? 14.214 20.604 24.081 1.00 31.48 ? 659 GLU A OE1 1 ATOM 2430 O OE2 . GLU A 1 318 ? 12.634 22.021 23.527 1.00 34.12 ? 659 GLU A OE2 1 ATOM 2431 N N . TYR A 1 319 ? 13.477 15.791 21.335 1.00 32.93 ? 660 TYR A N 1 ATOM 2432 C CA . TYR A 1 319 ? 14.095 14.972 20.300 1.00 32.93 ? 660 TYR A CA 1 ATOM 2433 C C . TYR A 1 319 ? 13.073 14.015 19.711 1.00 33.04 ? 660 TYR A C 1 ATOM 2434 O O . TYR A 1 319 ? 12.995 13.862 18.495 1.00 32.95 ? 660 TYR A O 1 ATOM 2435 C CB . TYR A 1 319 ? 15.299 14.164 20.802 1.00 32.45 ? 660 TYR A CB 1 ATOM 2436 C CG . TYR A 1 319 ? 15.927 13.396 19.656 1.00 30.79 ? 660 TYR A CG 1 ATOM 2437 C CD1 . TYR A 1 319 ? 16.703 14.049 18.713 1.00 32.43 ? 660 TYR A CD1 1 ATOM 2438 C CD2 . TYR A 1 319 ? 15.686 12.054 19.480 1.00 29.78 ? 660 TYR A CD2 1 ATOM 2439 C CE1 . TYR A 1 319 ? 17.236 13.375 17.636 1.00 30.57 ? 660 TYR A CE1 1 ATOM 2440 C CE2 . TYR A 1 319 ? 16.214 11.372 18.410 1.00 27.69 ? 660 TYR A CE2 1 ATOM 2441 C CZ . TYR A 1 319 ? 16.989 12.041 17.493 1.00 29.91 ? 660 TYR A CZ 1 ATOM 2442 O OH . TYR A 1 319 ? 17.547 11.374 16.428 1.00 27.84 ? 660 TYR A OH 1 ATOM 2443 N N . LEU A 1 320 ? 12.296 13.377 20.580 1.00 33.37 ? 661 LEU A N 1 ATOM 2444 C CA . LEU A 1 320 ? 11.350 12.384 20.133 1.00 34.26 ? 661 LEU A CA 1 ATOM 2445 C C . LEU A 1 320 ? 10.158 13.035 19.434 1.00 35.92 ? 661 LEU A C 1 ATOM 2446 O O . LEU A 1 320 ? 9.585 12.426 18.533 1.00 35.16 ? 661 LEU A O 1 ATOM 2447 C CB . LEU A 1 320 ? 10.882 11.497 21.289 1.00 33.97 ? 661 LEU A CB 1 ATOM 2448 C CG . LEU A 1 320 ? 11.951 10.587 21.890 1.00 33.49 ? 661 LEU A CG 1 ATOM 2449 C CD1 . LEU A 1 320 ? 11.392 9.697 23.012 1.00 32.84 ? 661 LEU A CD1 1 ATOM 2450 C CD2 . LEU A 1 320 ? 12.570 9.753 20.763 1.00 31.31 ? 661 LEU A CD2 1 ATOM 2451 N N . GLY A 1 321 ? 9.820 14.268 19.841 1.00 36.54 ? 662 GLY A N 1 ATOM 2452 C CA . GLY A 1 321 ? 8.664 14.976 19.312 1.00 38.97 ? 662 GLY A CA 1 ATOM 2453 C C . GLY A 1 321 ? 7.439 14.669 20.165 1.00 40.37 ? 662 GLY A C 1 ATOM 2454 O O . GLY A 1 321 ? 7.282 13.533 20.633 1.00 40.45 ? 662 GLY A O 1 ATOM 2455 N N . THR A 1 322 ? 6.549 15.645 20.353 1.00 41.88 ? 663 THR A N 1 ATOM 2456 C CA . THR A 1 322 ? 5.369 15.451 21.238 1.00 43.12 ? 663 THR A CA 1 ATOM 2457 C C . THR A 1 322 ? 4.377 14.378 20.812 1.00 43.39 ? 663 THR A C 1 ATOM 2458 O O . THR A 1 322 ? 3.787 13.714 21.654 1.00 44.32 ? 663 THR A O 1 ATOM 2459 C CB . THR A 1 322 ? 4.578 16.757 21.438 1.00 43.75 ? 663 THR A CB 1 ATOM 2460 O OG1 . THR A 1 322 ? 4.113 17.232 20.165 1.00 44.83 ? 663 THR A OG1 1 ATOM 2461 C CG2 . THR A 1 322 ? 5.473 17.864 21.969 1.00 43.50 ? 663 THR A CG2 1 ATOM 2462 N N . GLU A 1 323 ? 4.166 14.226 19.515 1.00 44.14 ? 664 GLU A N 1 ATOM 2463 C CA . GLU A 1 323 ? 3.277 13.190 19.011 1.00 44.38 ? 664 GLU A CA 1 ATOM 2464 C C . GLU A 1 323 ? 3.733 11.815 19.520 1.00 43.84 ? 664 GLU A C 1 ATOM 2465 O O . GLU A 1 323 ? 3.012 11.116 20.255 1.00 43.84 ? 664 GLU A O 1 ATOM 2466 C CB . GLU A 1 323 ? 3.270 13.238 17.468 1.00 45.15 ? 664 GLU A CB 1 ATOM 2467 C CG . GLU A 1 323 ? 2.374 12.207 16.780 1.00 48.60 ? 664 GLU A CG 1 ATOM 2468 C CD . GLU A 1 323 ? 2.283 12.393 15.263 1.00 52.20 ? 664 GLU A CD 1 ATOM 2469 O OE1 . GLU A 1 323 ? 2.457 13.537 14.772 1.00 53.31 ? 664 GLU A OE1 1 ATOM 2470 O OE2 . GLU A 1 323 ? 2.020 11.391 14.556 1.00 54.12 ? 664 GLU A OE2 1 ATOM 2471 N N . TYR A 1 324 ? 4.957 11.447 19.157 1.00 43.00 ? 665 TYR A N 1 ATOM 2472 C CA . TYR A 1 324 ? 5.510 10.144 19.526 1.00 41.82 ? 665 TYR A CA 1 ATOM 2473 C C . TYR A 1 324 ? 5.554 9.868 21.024 1.00 41.88 ? 665 TYR A C 1 ATOM 2474 O O . TYR A 1 324 ? 5.249 8.763 21.459 1.00 41.06 ? 665 TYR A O 1 ATOM 2475 C CB . TYR A 1 324 ? 6.898 9.986 18.902 1.00 41.11 ? 665 TYR A CB 1 ATOM 2476 C CG . TYR A 1 324 ? 7.499 8.616 19.077 1.00 39.03 ? 665 TYR A CG 1 ATOM 2477 C CD1 . TYR A 1 324 ? 6.753 7.465 18.831 1.00 37.41 ? 665 TYR A CD1 1 ATOM 2478 C CD2 . TYR A 1 324 ? 8.810 8.476 19.476 1.00 37.78 ? 665 TYR A CD2 1 ATOM 2479 C CE1 . TYR A 1 324 ? 7.302 6.218 18.994 1.00 37.55 ? 665 TYR A CE1 1 ATOM 2480 C CE2 . TYR A 1 324 ? 9.378 7.238 19.646 1.00 36.13 ? 665 TYR A CE2 1 ATOM 2481 C CZ . TYR A 1 324 ? 8.630 6.118 19.407 1.00 36.21 ? 665 TYR A CZ 1 ATOM 2482 O OH . TYR A 1 324 ? 9.203 4.904 19.567 1.00 31.52 ? 665 TYR A OH 1 ATOM 2483 N N . VAL A 1 325 ? 5.941 10.873 21.809 1.00 42.99 ? 666 VAL A N 1 ATOM 2484 C CA . VAL A 1 325 ? 6.059 10.748 23.270 1.00 43.65 ? 666 VAL A CA 1 ATOM 2485 C C . VAL A 1 325 ? 4.739 10.375 23.939 1.00 44.68 ? 666 VAL A C 1 ATOM 2486 O O . VAL A 1 325 ? 4.699 9.577 24.878 1.00 44.99 ? 666 VAL A O 1 ATOM 2487 C CB . VAL A 1 325 ? 6.573 12.080 23.907 1.00 43.95 ? 666 VAL A CB 1 ATOM 2488 C CG1 . VAL A 1 325 ? 6.295 12.137 25.403 1.00 42.83 ? 666 VAL A CG1 1 ATOM 2489 C CG2 . VAL A 1 325 ? 8.050 12.292 23.626 1.00 43.38 ? 666 VAL A CG2 1 ATOM 2490 N N . THR A 1 326 ? 3.652 10.960 23.460 1.00 46.00 ? 667 THR A N 1 ATOM 2491 C CA . THR A 1 326 ? 2.357 10.694 24.071 1.00 46.71 ? 667 THR A CA 1 ATOM 2492 C C . THR A 1 326 ? 1.835 9.351 23.601 1.00 46.82 ? 667 THR A C 1 ATOM 2493 O O . THR A 1 326 ? 1.091 8.673 24.312 1.00 47.31 ? 667 THR A O 1 ATOM 2494 C CB . THR A 1 326 ? 1.360 11.832 23.777 1.00 46.83 ? 667 THR A CB 1 ATOM 2495 O OG1 . THR A 1 326 ? 1.160 11.970 22.363 1.00 48.00 ? 667 THR A OG1 1 ATOM 2496 C CG2 . THR A 1 326 ? 1.961 13.167 24.185 1.00 47.04 ? 667 THR A CG2 1 ATOM 2497 N N . ALA A 1 327 ? 2.241 8.963 22.398 1.00 46.78 ? 668 ALA A N 1 ATOM 2498 C CA . ALA A 1 327 ? 1.853 7.666 21.870 1.00 46.55 ? 668 ALA A CA 1 ATOM 2499 C C . ALA A 1 327 ? 2.503 6.569 22.716 1.00 46.41 ? 668 ALA A C 1 ATOM 2500 O O . ALA A 1 327 ? 1.844 5.599 23.080 1.00 45.34 ? 668 ALA A O 1 ATOM 2501 C CB . ALA A 1 327 ? 2.242 7.552 20.404 1.00 46.51 ? 668 ALA A CB 1 ATOM 2502 N N . ILE A 1 328 ? 3.793 6.731 23.035 1.00 46.32 ? 669 ILE A N 1 ATOM 2503 C CA . ILE A 1 328 ? 4.486 5.769 23.900 1.00 46.49 ? 669 ILE A CA 1 ATOM 2504 C C . ILE A 1 328 ? 3.854 5.740 25.288 1.00 46.98 ? 669 ILE A C 1 ATOM 2505 O O . ILE A 1 328 ? 3.627 4.674 25.855 1.00 46.50 ? 669 ILE A O 1 ATOM 2506 C CB . ILE A 1 328 ? 6.009 6.086 24.060 1.00 46.28 ? 669 ILE A CB 1 ATOM 2507 C CG1 . ILE A 1 328 ? 6.716 6.088 22.712 1.00 46.27 ? 669 ILE A CG1 1 ATOM 2508 C CG2 . ILE A 1 328 ? 6.668 5.086 25.018 1.00 45.27 ? 669 ILE A CG2 1 ATOM 2509 C CD1 . ILE A 1 328 ? 6.211 4.999 21.801 1.00 48.20 ? 669 ILE A CD1 1 ATOM 2510 N N . ALA A 1 329 ? 3.619 6.914 25.857 1.00 48.22 ? 670 ALA A N 1 ATOM 2511 C CA . ALA A 1 329 ? 2.994 6.981 27.177 1.00 49.19 ? 670 ALA A CA 1 ATOM 2512 C C . ALA A 1 329 ? 1.644 6.262 27.145 1.00 49.94 ? 670 ALA A C 1 ATOM 2513 O O . ALA A 1 329 ? 1.351 5.434 28.020 1.00 49.98 ? 670 ALA A O 1 ATOM 2514 C CB . ALA A 1 329 ? 2.825 8.429 27.620 1.00 49.21 ? 670 ALA A CB 1 ATOM 2515 N N . ASN A 1 330 ? 0.835 6.573 26.133 1.00 50.85 ? 671 ASN A N 1 ATOM 2516 C CA . ASN A 1 330 ? -0.474 5.935 25.977 1.00 52.19 ? 671 ASN A CA 1 ATOM 2517 C C . ASN A 1 330 ? -0.383 4.418 25.842 1.00 52.81 ? 671 ASN A C 1 ATOM 2518 O O . ASN A 1 330 ? -1.266 3.689 26.298 1.00 52.58 ? 671 ASN A O 1 ATOM 2519 C CB . ASN A 1 330 ? -1.239 6.534 24.794 1.00 52.74 ? 671 ASN A CB 1 ATOM 2520 C CG . ASN A 1 330 ? -2.133 7.709 25.205 1.00 54.45 ? 671 ASN A CG 1 ATOM 2521 O OD1 . ASN A 1 330 ? -2.847 7.640 26.207 1.00 57.55 ? 671 ASN A OD1 1 ATOM 2522 N ND2 . ASN A 1 330 ? -2.102 8.786 24.421 1.00 55.18 ? 671 ASN A ND2 1 ATOM 2523 N N . LEU A 1 331 ? 0.691 3.936 25.226 1.00 53.12 ? 672 LEU A N 1 ATOM 2524 C CA . LEU A 1 331 ? 0.871 2.498 25.066 1.00 53.97 ? 672 LEU A CA 1 ATOM 2525 C C . LEU A 1 331 ? 1.331 1.849 26.365 1.00 54.89 ? 672 LEU A C 1 ATOM 2526 O O . LEU A 1 331 ? 0.859 0.773 26.725 1.00 54.80 ? 672 LEU A O 1 ATOM 2527 C CB . LEU A 1 331 ? 1.863 2.190 23.934 1.00 53.53 ? 672 LEU A CB 1 ATOM 2528 C CG . LEU A 1 331 ? 2.198 0.716 23.665 1.00 52.69 ? 672 LEU A CG 1 ATOM 2529 C CD1 . LEU A 1 331 ? 0.951 -0.031 23.250 1.00 50.95 ? 672 LEU A CD1 1 ATOM 2530 C CD2 . LEU A 1 331 ? 3.289 0.557 22.606 1.00 49.36 ? 672 LEU A CD2 1 ATOM 2531 N N . LYS A 1 332 ? 2.235 2.511 27.082 1.00 56.40 ? 673 LYS A N 1 ATOM 2532 C CA . LYS A 1 332 ? 2.824 1.918 28.281 1.00 58.11 ? 673 LYS A CA 1 ATOM 2533 C C . LYS A 1 332 ? 1.860 1.806 29.467 1.00 59.27 ? 673 LYS A C 1 ATOM 2534 O O . LYS A 1 332 ? 2.192 1.205 30.490 1.00 59.53 ? 673 LYS A O 1 ATOM 2535 C CB . LYS A 1 332 ? 4.132 2.629 28.670 1.00 58.32 ? 673 LYS A CB 1 ATOM 2536 C CG . LYS A 1 332 ? 5.301 2.327 27.720 1.00 59.00 ? 673 LYS A CG 1 ATOM 2537 C CD . LYS A 1 332 ? 6.661 2.755 28.280 1.00 60.65 ? 673 LYS A CD 1 ATOM 2538 C CE . LYS A 1 332 ? 7.792 2.339 27.334 1.00 60.93 ? 673 LYS A CE 1 ATOM 2539 N NZ . LYS A 1 332 ? 9.147 2.831 27.749 1.00 63.24 ? 673 LYS A NZ 1 ATOM 2540 N N . LYS A 1 333 ? 0.665 2.369 29.315 1.00 60.44 ? 674 LYS A N 1 ATOM 2541 C CA . LYS A 1 333 ? -0.365 2.284 30.347 1.00 61.69 ? 674 LYS A CA 1 ATOM 2542 C C . LYS A 1 333 ? -0.937 0.871 30.375 1.00 62.45 ? 674 LYS A C 1 ATOM 2543 O O . LYS A 1 333 ? -1.621 0.472 31.316 1.00 62.45 ? 674 LYS A O 1 ATOM 2544 C CB . LYS A 1 333 ? -1.474 3.298 30.071 1.00 61.78 ? 674 LYS A CB 1 ATOM 2545 C CG . LYS A 1 333 ? -1.065 4.729 30.360 1.00 62.32 ? 674 LYS A CG 1 ATOM 2546 C CD . LYS A 1 333 ? -1.815 5.716 29.494 1.00 63.03 ? 674 LYS A CD 1 ATOM 2547 C CE . LYS A 1 333 ? -1.305 7.127 29.761 1.00 63.99 ? 674 LYS A CE 1 ATOM 2548 N NZ . LYS A 1 333 ? -1.521 8.079 28.631 1.00 65.09 ? 674 LYS A NZ 1 ATOM 2549 N N . CYS A 1 334 ? -0.625 0.111 29.334 1.00 63.39 ? 675 CYS A N 1 ATOM 2550 C CA . CYS A 1 334 ? -1.129 -1.249 29.197 1.00 64.38 ? 675 CYS A CA 1 ATOM 2551 C C . CYS A 1 334 ? -0.361 -2.324 29.960 1.00 64.94 ? 675 CYS A C 1 ATOM 2552 O O . CYS A 1 334 ? -0.953 -3.320 30.391 1.00 65.21 ? 675 CYS A O 1 ATOM 2553 C CB . CYS A 1 334 ? -1.194 -1.634 27.725 1.00 64.30 ? 675 CYS A CB 1 ATOM 2554 S SG . CYS A 1 334 ? -2.626 -0.942 26.906 1.00 65.04 ? 675 CYS A SG 1 ATOM 2555 N N . SER A 1 335 ? 0.952 -2.154 30.101 1.00 65.56 ? 676 SER A N 1 ATOM 2556 C CA . SER A 1 335 ? 1.757 -3.149 30.811 1.00 65.92 ? 676 SER A CA 1 ATOM 2557 C C . SER A 1 335 ? 1.564 -3.065 32.322 1.00 66.26 ? 676 SER A C 1 ATOM 2558 O O . SER A 1 335 ? 0.570 -3.568 32.860 1.00 66.46 ? 676 SER A O 1 ATOM 2559 C CB . SER A 1 335 ? 3.237 -3.028 30.449 1.00 66.29 ? 676 SER A CB 1 ATOM 2560 O OG . SER A 1 335 ? 3.566 -3.920 29.395 1.00 66.11 ? 676 SER A OG 1 ATOM 2561 N N . LEU A 1 340 ? 3.932 8.136 33.945 1.00 77.77 ? 681 LEU A N 1 ATOM 2562 C CA . LEU A 1 340 ? 4.710 9.117 33.200 1.00 77.70 ? 681 LEU A CA 1 ATOM 2563 C C . LEU A 1 340 ? 5.985 9.493 33.954 1.00 77.40 ? 681 LEU A C 1 ATOM 2564 O O . LEU A 1 340 ? 7.080 9.448 33.392 1.00 77.56 ? 681 LEU A O 1 ATOM 2565 C CB . LEU A 1 340 ? 3.868 10.369 32.917 1.00 78.05 ? 681 LEU A CB 1 ATOM 2566 C CG . LEU A 1 340 ? 4.447 11.471 32.019 1.00 78.61 ? 681 LEU A CG 1 ATOM 2567 C CD1 . LEU A 1 340 ? 4.260 11.137 30.543 1.00 79.17 ? 681 LEU A CD1 1 ATOM 2568 C CD2 . LEU A 1 340 ? 3.809 12.821 32.340 1.00 79.26 ? 681 LEU A CD2 1 ATOM 2569 N N . GLU A 1 341 ? 5.838 9.864 35.224 1.00 76.81 ? 682 GLU A N 1 ATOM 2570 C CA . GLU A 1 341 ? 6.980 10.250 36.057 1.00 76.22 ? 682 GLU A CA 1 ATOM 2571 C C . GLU A 1 341 ? 7.714 8.984 36.494 1.00 75.38 ? 682 GLU A C 1 ATOM 2572 O O . GLU A 1 341 ? 7.549 8.525 37.628 1.00 75.47 ? 682 GLU A O 1 ATOM 2573 C CB . GLU A 1 341 ? 6.490 11.031 37.278 1.00 76.44 ? 682 GLU A CB 1 ATOM 2574 C CG . GLU A 1 341 ? 7.536 11.946 37.892 1.00 77.28 ? 682 GLU A CG 1 ATOM 2575 C CD . GLU A 1 341 ? 8.048 12.978 36.906 1.00 78.09 ? 682 GLU A CD 1 ATOM 2576 O OE1 . GLU A 1 341 ? 7.417 14.049 36.777 1.00 78.59 ? 682 GLU A OE1 1 ATOM 2577 O OE2 . GLU A 1 341 ? 9.082 12.715 36.260 1.00 78.44 ? 682 GLU A OE2 1 ATOM 2578 N N . ALA A 1 342 ? 8.566 8.454 35.616 1.00 74.13 ? 683 ALA A N 1 ATOM 2579 C CA . ALA A 1 342 ? 9.084 7.096 35.810 1.00 72.77 ? 683 ALA A CA 1 ATOM 2580 C C . ALA A 1 342 ? 10.581 6.772 35.991 1.00 71.66 ? 683 ALA A C 1 ATOM 2581 O O . ALA A 1 342 ? 11.237 7.199 36.944 1.00 71.69 ? 683 ALA A O 1 ATOM 2582 C CB . ALA A 1 342 ? 8.501 6.188 34.711 1.00 72.97 ? 683 ALA A CB 1 ATOM 2583 N N . CYS A 1 343 ? 11.070 5.971 35.046 1.00 70.09 ? 684 CYS A N 1 ATOM 2584 C CA . CYS A 1 343 ? 12.373 5.286 35.073 1.00 68.23 ? 684 CYS A CA 1 ATOM 2585 C C . CYS A 1 343 ? 12.188 3.954 35.783 1.00 68.68 ? 684 CYS A C 1 ATOM 2586 O O . CYS A 1 343 ? 12.429 3.830 36.988 1.00 68.56 ? 684 CYS A O 1 ATOM 2587 C CB . CYS A 1 343 ? 13.522 6.060 35.718 1.00 66.97 ? 684 CYS A CB 1 ATOM 2588 S SG . CYS A 1 343 ? 15.078 5.134 35.510 1.00 61.12 ? 684 CYS A SG 1 ATOM 2589 N N . ALA A 1 344 ? 11.756 2.965 35.008 1.00 69.01 ? 685 ALA A N 1 ATOM 2590 C CA . ALA A 1 344 ? 11.477 1.628 35.507 1.00 69.22 ? 685 ALA A CA 1 ATOM 2591 C C . ALA A 1 344 ? 12.714 0.927 36.050 1.00 69.17 ? 685 ALA A C 1 ATOM 2592 O O . ALA A 1 344 ? 12.696 -0.282 36.277 1.00 69.26 ? 685 ALA A O 1 ATOM 2593 C CB . ALA A 1 344 ? 10.821 0.787 34.418 1.00 69.39 ? 685 ALA A CB 1 ATOM 2594 N N . PHE A 1 345 ? 13.789 1.686 36.241 1.00 68.95 ? 686 PHE A N 1 ATOM 2595 C CA . PHE A 1 345 ? 14.988 1.163 36.881 1.00 68.54 ? 686 PHE A CA 1 ATOM 2596 C C . PHE A 1 345 ? 15.129 1.878 38.217 1.00 68.82 ? 686 PHE A C 1 ATOM 2597 O O . PHE A 1 345 ? 14.121 2.089 38.906 1.00 68.67 ? 686 PHE A O 1 ATOM 2598 C CB . PHE A 1 345 ? 16.227 1.395 36.018 1.00 68.26 ? 686 PHE A CB 1 ATOM 2599 C CG . PHE A 1 345 ? 16.132 0.779 34.663 1.00 67.04 ? 686 PHE A CG 1 ATOM 2600 C CD1 . PHE A 1 345 ? 16.254 1.552 33.527 1.00 66.04 ? 686 PHE A CD1 1 ATOM 2601 C CD2 . PHE A 1 345 ? 15.897 -0.574 34.527 1.00 66.29 ? 686 PHE A CD2 1 ATOM 2602 C CE1 . PHE A 1 345 ? 16.155 0.986 32.280 1.00 65.94 ? 686 PHE A CE1 1 ATOM 2603 C CE2 . PHE A 1 345 ? 15.793 -1.146 33.283 1.00 65.79 ? 686 PHE A CE2 1 ATOM 2604 C CZ . PHE A 1 345 ? 15.923 -0.365 32.157 1.00 65.96 ? 686 PHE A CZ 1 ATOM 2605 O OXT . PHE A 1 345 ? 16.236 2.263 38.597 1.00 68.54 ? 686 PHE A OXT 1 HETATM 2606 C C1 . NAG B 2 . ? 42.976 9.779 20.656 1.00 66.18 ? 1 NAG A C1 1 HETATM 2607 C C2 . NAG B 2 . ? 43.631 9.805 19.275 1.00 71.52 ? 1 NAG A C2 1 HETATM 2608 C C3 . NAG B 2 . ? 44.525 11.032 19.037 1.00 72.93 ? 1 NAG A C3 1 HETATM 2609 C C4 . NAG B 2 . ? 44.081 12.322 19.729 1.00 74.51 ? 1 NAG A C4 1 HETATM 2610 C C5 . NAG B 2 . ? 43.336 12.039 21.032 1.00 72.99 ? 1 NAG A C5 1 HETATM 2611 C C6 . NAG B 2 . ? 42.677 13.301 21.589 1.00 73.65 ? 1 NAG A C6 1 HETATM 2612 C C7 . NAG B 2 . ? 44.263 7.710 18.166 1.00 71.90 ? 1 NAG A C7 1 HETATM 2613 C C8 . NAG B 2 . ? 45.287 6.614 18.101 1.00 72.17 ? 1 NAG A C8 1 HETATM 2614 N N2 . NAG B 2 . ? 44.437 8.608 19.131 1.00 71.69 ? 1 NAG A N2 1 HETATM 2615 O O3 . NAG B 2 . ? 44.635 11.278 17.649 1.00 73.29 ? 1 NAG A O3 1 HETATM 2616 O O4 . NAG B 2 . ? 45.248 13.049 20.060 1.00 78.65 ? 1 NAG A O4 1 HETATM 2617 O O5 . NAG B 2 . ? 42.367 11.026 20.853 1.00 69.72 ? 1 NAG A O5 1 HETATM 2618 O O6 . NAG B 2 . ? 41.382 13.468 21.048 1.00 74.40 ? 1 NAG A O6 1 HETATM 2619 O O7 . NAG B 2 . ? 43.337 7.748 17.358 1.00 71.89 ? 1 NAG A O7 1 HETATM 2620 C C1 . NAG C 2 . ? 45.515 14.169 19.187 1.00 82.36 ? 9 NAG A C1 1 HETATM 2621 C C2 . NAG C 2 . ? 46.859 13.998 18.484 1.00 84.20 ? 9 NAG A C2 1 HETATM 2622 C C3 . NAG C 2 . ? 47.233 15.304 17.797 1.00 84.47 ? 9 NAG A C3 1 HETATM 2623 C C4 . NAG C 2 . ? 46.086 15.838 16.943 1.00 84.43 ? 9 NAG A C4 1 HETATM 2624 C C5 . NAG C 2 . ? 44.705 15.672 17.582 1.00 84.32 ? 9 NAG A C5 1 HETATM 2625 C C6 . NAG C 2 . ? 43.635 15.824 16.506 1.00 84.42 ? 9 NAG A C6 1 HETATM 2626 C C7 . NAG C 2 . ? 48.878 12.749 19.079 1.00 86.53 ? 9 NAG A C7 1 HETATM 2627 C C8 . NAG C 2 . ? 50.269 13.137 19.499 1.00 86.64 ? 9 NAG A C8 1 HETATM 2628 N N2 . NAG C 2 . ? 47.903 13.596 19.415 1.00 85.71 ? 9 NAG A N2 1 HETATM 2629 O O3 . NAG C 2 . ? 48.351 15.088 16.968 1.00 84.42 ? 9 NAG A O3 1 HETATM 2630 O O4 . NAG C 2 . ? 46.318 17.207 16.678 1.00 84.56 ? 9 NAG A O4 1 HETATM 2631 O O5 . NAG C 2 . ? 44.540 14.407 18.200 1.00 83.72 ? 9 NAG A O5 1 HETATM 2632 O O6 . NAG C 2 . ? 43.600 14.649 15.726 1.00 84.51 ? 9 NAG A O6 1 HETATM 2633 O O7 . NAG C 2 . ? 48.681 11.699 18.463 1.00 86.69 ? 9 NAG A O7 1 HETATM 2634 C C1 . NAG D 2 . ? -3.752 5.958 20.618 1.00 71.52 ? 2 NAG A C1 1 HETATM 2635 C C2 . NAG D 2 . ? -2.658 6.811 19.960 1.00 73.69 ? 2 NAG A C2 1 HETATM 2636 C C3 . NAG D 2 . ? -2.300 8.032 20.814 1.00 75.45 ? 2 NAG A C3 1 HETATM 2637 C C4 . NAG D 2 . ? -3.557 8.731 21.336 1.00 76.95 ? 2 NAG A C4 1 HETATM 2638 C C5 . NAG D 2 . ? -4.435 7.751 22.110 1.00 75.90 ? 2 NAG A C5 1 HETATM 2639 C C6 . NAG D 2 . ? -5.922 7.972 21.812 1.00 76.12 ? 2 NAG A C6 1 HETATM 2640 C C7 . NAG D 2 . ? -0.806 6.001 18.538 1.00 71.84 ? 2 NAG A C7 1 HETATM 2641 C C8 . NAG D 2 . ? 0.338 5.040 18.439 1.00 71.86 ? 2 NAG A C8 1 HETATM 2642 N N2 . NAG D 2 . ? -1.471 6.010 19.699 1.00 72.65 ? 2 NAG A N2 1 HETATM 2643 O O3 . NAG D 2 . ? -1.515 8.933 20.055 1.00 74.85 ? 2 NAG A O3 1 HETATM 2644 O O4 . NAG D 2 . ? -3.217 9.781 22.222 1.00 80.61 ? 2 NAG A O4 1 HETATM 2645 O O5 . NAG D 2 . ? -4.020 6.402 21.938 1.00 74.05 ? 2 NAG A O5 1 HETATM 2646 O O6 . NAG D 2 . ? -6.277 7.475 20.541 1.00 76.64 ? 2 NAG A O6 1 HETATM 2647 O O7 . NAG D 2 . ? -1.072 6.721 17.577 1.00 71.53 ? 2 NAG A O7 1 HETATM 2648 C C1 . NAG E 2 . ? -3.662 11.074 21.748 1.00 84.11 ? 3 NAG A C1 1 HETATM 2649 C C2 . NAG E 2 . ? -3.542 12.097 22.886 1.00 85.57 ? 3 NAG A C2 1 HETATM 2650 C C3 . NAG E 2 . ? -3.613 13.568 22.447 1.00 86.76 ? 3 NAG A C3 1 HETATM 2651 C C4 . NAG E 2 . ? -3.070 13.869 21.048 1.00 87.53 ? 3 NAG A C4 1 HETATM 2652 C C5 . NAG E 2 . ? -3.358 12.725 20.081 1.00 86.97 ? 3 NAG A C5 1 HETATM 2653 C C6 . NAG E 2 . ? -2.674 12.963 18.735 1.00 87.09 ? 3 NAG A C6 1 HETATM 2654 C C7 . NAG E 2 . ? -4.306 11.648 25.197 1.00 86.80 ? 3 NAG A C7 1 HETATM 2655 C C8 . NAG E 2 . ? -4.509 12.806 26.136 1.00 87.00 ? 3 NAG A C8 1 HETATM 2656 N N2 . NAG E 2 . ? -4.563 11.855 23.898 1.00 86.20 ? 3 NAG A N2 1 HETATM 2657 O O3 . NAG E 2 . ? -2.882 14.338 23.380 1.00 87.28 ? 3 NAG A O3 1 HETATM 2658 O O4 . NAG E 2 . ? -3.669 15.050 20.538 1.00 89.47 ? 3 NAG A O4 1 HETATM 2659 O O5 . NAG E 2 . ? -2.923 11.493 20.621 1.00 85.60 ? 3 NAG A O5 1 HETATM 2660 O O6 . NAG E 2 . ? -1.282 12.758 18.852 1.00 87.03 ? 3 NAG A O6 1 HETATM 2661 O O7 . NAG E 2 . ? -3.935 10.565 25.650 1.00 86.84 ? 3 NAG A O7 1 HETATM 2662 C C1 . MAN F 3 . ? -3.754 16.478 20.624 1.00 90.22 ? 4 MAN A C1 1 HETATM 2663 C C2 . MAN F 3 . ? -2.827 17.363 21.471 1.00 91.84 ? 4 MAN A C2 1 HETATM 2664 C C3 . MAN F 3 . ? -3.568 18.514 22.173 1.00 92.96 ? 4 MAN A C3 1 HETATM 2665 C C4 . MAN F 3 . ? -4.598 19.222 21.291 1.00 93.83 ? 4 MAN A C4 1 HETATM 2666 C C5 . MAN F 3 . ? -5.364 18.286 20.344 1.00 93.21 ? 4 MAN A C5 1 HETATM 2667 C C6 . MAN F 3 . ? -5.117 18.640 18.874 1.00 93.38 ? 4 MAN A C6 1 HETATM 2668 O O2 . MAN F 3 . ? -1.771 17.858 20.665 1.00 92.32 ? 4 MAN A O2 1 HETATM 2669 O O3 . MAN F 3 . ? -2.652 19.484 22.643 1.00 92.72 ? 4 MAN A O3 1 HETATM 2670 O O4 . MAN F 3 . ? -5.473 19.979 22.120 1.00 95.39 ? 4 MAN A O4 1 HETATM 2671 O O5 . MAN F 3 . ? -5.106 16.914 20.607 1.00 91.91 ? 4 MAN A O5 1 HETATM 2672 O O6 . MAN F 3 . ? -5.985 17.908 18.035 1.00 93.70 ? 4 MAN A O6 1 HETATM 2673 C C1 . NAG G 2 . ? 13.436 4.058 0.973 1.00 64.18 ? 5 NAG A C1 1 HETATM 2674 C C2 . NAG G 2 . ? 13.444 5.511 0.537 1.00 64.34 ? 5 NAG A C2 1 HETATM 2675 C C3 . NAG G 2 . ? 14.317 5.580 -0.693 1.00 65.68 ? 5 NAG A C3 1 HETATM 2676 C C4 . NAG G 2 . ? 15.681 4.959 -0.429 1.00 67.38 ? 5 NAG A C4 1 HETATM 2677 C C5 . NAG G 2 . ? 15.606 3.613 0.306 1.00 65.93 ? 5 NAG A C5 1 HETATM 2678 C C6 . NAG G 2 . ? 16.974 3.156 0.809 1.00 64.61 ? 5 NAG A C6 1 HETATM 2679 C C7 . NAG G 2 . ? 11.407 6.673 1.128 1.00 60.97 ? 5 NAG A C7 1 HETATM 2680 C C8 . NAG G 2 . ? 9.931 6.830 0.901 1.00 60.53 ? 5 NAG A C8 1 HETATM 2681 N N2 . NAG G 2 . ? 12.086 5.926 0.259 1.00 62.65 ? 5 NAG A N2 1 HETATM 2682 O O3 . NAG G 2 . ? 14.493 6.923 -1.058 1.00 66.49 ? 5 NAG A O3 1 HETATM 2683 O O4 . NAG G 2 . ? 16.285 4.761 -1.684 1.00 71.79 ? 5 NAG A O4 1 HETATM 2684 O O5 . NAG G 2 . ? 14.725 3.699 1.401 1.00 64.00 ? 5 NAG A O5 1 HETATM 2685 O O6 . NAG G 2 . ? 17.290 3.790 2.029 1.00 63.95 ? 5 NAG A O6 1 HETATM 2686 O O7 . NAG G 2 . ? 11.943 7.236 2.080 1.00 60.85 ? 5 NAG A O7 1 HETATM 2687 C C1 . NAG H 2 . ? 17.648 5.274 -1.832 1.00 75.88 ? 6 NAG A C1 1 HETATM 2688 C C2 . NAG H 2 . ? 18.560 4.481 -2.755 1.00 77.99 ? 6 NAG A C2 1 HETATM 2689 C C3 . NAG H 2 . ? 19.879 5.206 -3.023 1.00 79.99 ? 6 NAG A C3 1 HETATM 2690 C C4 . NAG H 2 . ? 19.653 6.671 -3.407 1.00 81.75 ? 6 NAG A C4 1 HETATM 2691 C C5 . NAG H 2 . ? 18.717 7.300 -2.375 1.00 79.81 ? 6 NAG A C5 1 HETATM 2692 C C6 . NAG H 2 . ? 18.407 8.757 -2.703 1.00 79.47 ? 6 NAG A C6 1 HETATM 2693 C C7 . NAG H 2 . ? 18.645 2.020 -2.844 1.00 78.63 ? 6 NAG A C7 1 HETATM 2694 C C8 . NAG H 2 . ? 19.488 0.869 -2.377 1.00 78.65 ? 6 NAG A C8 1 HETATM 2695 N N2 . NAG H 2 . ? 18.798 3.168 -2.176 1.00 78.26 ? 6 NAG A N2 1 HETATM 2696 O O3 . NAG H 2 . ? 20.546 4.515 -4.055 1.00 79.92 ? 6 NAG A O3 1 HETATM 2697 O O4 . NAG H 2 . ? 20.857 7.431 -3.418 1.00 86.43 ? 6 NAG A O4 1 HETATM 2698 O O5 . NAG H 2 . ? 17.501 6.589 -2.307 1.00 77.84 ? 6 NAG A O5 1 HETATM 2699 O O6 . NAG H 2 . ? 17.440 9.254 -1.803 1.00 78.55 ? 6 NAG A O6 1 HETATM 2700 O O7 . NAG H 2 . ? 17.868 1.869 -3.789 1.00 78.88 ? 6 NAG A O7 1 HETATM 2701 C C1 . MAN I 3 . ? 21.733 7.239 -4.566 1.00 90.22 ? 7 MAN A C1 1 HETATM 2702 C C2 . MAN I 3 . ? 20.985 7.403 -5.898 1.00 91.84 ? 7 MAN A C2 1 HETATM 2703 C C3 . MAN I 3 . ? 21.166 6.203 -6.843 1.00 92.96 ? 7 MAN A C3 1 HETATM 2704 C C4 . MAN I 3 . ? 22.599 5.670 -6.906 1.00 93.83 ? 7 MAN A C4 1 HETATM 2705 C C5 . MAN I 3 . ? 23.341 5.701 -5.561 1.00 93.21 ? 7 MAN A C5 1 HETATM 2706 C C6 . MAN I 3 . ? 24.577 6.605 -5.616 1.00 93.38 ? 7 MAN A C6 1 HETATM 2707 O O2 . MAN I 3 . ? 21.387 8.608 -6.526 1.00 92.32 ? 7 MAN A O2 1 HETATM 2708 O O3 . MAN I 3 . ? 20.765 6.538 -8.157 1.00 92.72 ? 7 MAN A O3 1 HETATM 2709 O O4 . MAN I 3 . ? 22.582 4.367 -7.478 1.00 95.39 ? 7 MAN A O4 1 HETATM 2710 O O5 . MAN I 3 . ? 22.488 6.039 -4.476 1.00 91.91 ? 7 MAN A O5 1 HETATM 2711 O O6 . MAN I 3 . ? 25.352 6.456 -4.445 1.00 93.70 ? 7 MAN A O6 1 HETATM 2712 C C1 . MAN J 3 . ? 22.993 3.000 -7.433 1.00 97.36 ? 8 MAN A C1 1 HETATM 2713 C C2 . MAN J 3 . ? 22.815 2.511 -5.986 1.00 99.41 ? 8 MAN A C2 1 HETATM 2714 C C3 . MAN J 3 . ? 23.547 1.174 -5.732 1.00 100.53 ? 8 MAN A C3 1 HETATM 2715 C C4 . MAN J 3 . ? 23.207 0.112 -6.795 1.00 101.43 ? 8 MAN A C4 1 HETATM 2716 C C5 . MAN J 3 . ? 23.191 0.668 -8.239 1.00 100.43 ? 8 MAN A C5 1 HETATM 2717 C C6 . MAN J 3 . ? 21.857 0.416 -8.965 1.00 100.33 ? 8 MAN A C6 1 HETATM 2718 O O2 . MAN J 3 . ? 21.428 2.436 -5.685 1.00 100.56 ? 8 MAN A O2 1 HETATM 2719 O O3 . MAN J 3 . ? 23.291 0.671 -4.428 1.00 99.60 ? 8 MAN A O3 1 HETATM 2720 O O4 . MAN J 3 . ? 24.050 -1.038 -6.638 1.00 102.68 ? 8 MAN A O4 1 HETATM 2721 O O5 . MAN J 3 . ? 23.582 2.038 -8.316 1.00 99.24 ? 8 MAN A O5 1 HETATM 2722 O O6 . MAN J 3 . ? 22.028 -0.452 -10.072 1.00 100.09 ? 8 MAN A O6 1 HETATM 2723 C C1 . NAG K 2 . ? 9.297 19.538 14.402 1.00 61.27 ? 687 NAG A C1 1 HETATM 2724 C C2 . NAG K 2 . ? 10.357 19.674 15.490 1.00 60.27 ? 687 NAG A C2 1 HETATM 2725 C C3 . NAG K 2 . ? 10.473 18.458 16.410 1.00 59.91 ? 687 NAG A C3 1 HETATM 2726 C C4 . NAG K 2 . ? 9.283 17.489 16.382 1.00 60.39 ? 687 NAG A C4 1 HETATM 2727 C C5 . NAG K 2 . ? 8.192 17.754 15.329 1.00 60.32 ? 687 NAG A C5 1 HETATM 2728 C C6 . NAG K 2 . ? 6.827 17.297 15.834 1.00 60.37 ? 687 NAG A C6 1 HETATM 2729 C C7 . NAG K 2 . ? 12.226 21.058 14.817 1.00 59.86 ? 687 NAG A C7 1 HETATM 2730 C C8 . NAG K 2 . ? 13.553 21.137 15.527 1.00 59.54 ? 687 NAG A C8 1 HETATM 2731 N N2 . NAG K 2 . ? 11.636 19.872 14.848 1.00 59.81 ? 687 NAG A N2 1 HETATM 2732 O O1 . NAG K 2 . ? 9.077 20.769 13.808 1.00 44.89 ? 687 NAG A O1 1 HETATM 2733 O O3 . NAG K 2 . ? 10.678 18.892 17.749 1.00 60.92 ? 687 NAG A O3 1 HETATM 2734 O O4 . NAG K 2 . ? 9.809 16.168 16.292 1.00 60.70 ? 687 NAG A O4 1 HETATM 2735 O O5 . NAG K 2 . ? 8.088 19.121 15.003 1.00 60.58 ? 687 NAG A O5 1 HETATM 2736 O O6 . NAG K 2 . ? 6.440 18.104 16.923 1.00 61.20 ? 687 NAG A O6 1 HETATM 2737 O O7 . NAG K 2 . ? 11.729 22.032 14.239 1.00 60.02 ? 687 NAG A O7 1 HETATM 2738 C C1 . NAG L 2 . ? 9.974 15.732 14.925 1.00 60.93 ? 688 NAG A C1 1 HETATM 2739 C C2 . NAG L 2 . ? 11.127 14.730 14.874 1.00 60.32 ? 688 NAG A C2 1 HETATM 2740 C C3 . NAG L 2 . ? 11.345 14.228 13.452 1.00 60.55 ? 688 NAG A C3 1 HETATM 2741 C C4 . NAG L 2 . ? 10.051 13.914 12.709 1.00 60.66 ? 688 NAG A C4 1 HETATM 2742 C C5 . NAG L 2 . ? 8.905 14.861 13.008 1.00 60.43 ? 688 NAG A C5 1 HETATM 2743 C C6 . NAG L 2 . ? 7.625 14.194 12.517 1.00 59.75 ? 688 NAG A C6 1 HETATM 2744 C C7 . NAG L 2 . ? 13.520 14.883 15.591 1.00 60.25 ? 688 NAG A C7 1 HETATM 2745 C C8 . NAG L 2 . ? 14.677 15.823 15.437 1.00 60.05 ? 688 NAG A C8 1 HETATM 2746 N N2 . NAG L 2 . ? 12.316 15.419 15.333 1.00 60.01 ? 688 NAG A N2 1 HETATM 2747 O O3 . NAG L 2 . ? 12.109 13.042 13.483 1.00 60.73 ? 688 NAG A O3 1 HETATM 2748 O O4 . NAG L 2 . ? 10.284 14.061 11.328 1.00 62.43 ? 688 NAG A O4 1 HETATM 2749 O O5 . NAG L 2 . ? 8.807 15.153 14.389 1.00 60.74 ? 688 NAG A O5 1 HETATM 2750 O O6 . NAG L 2 . ? 6.559 14.594 13.347 1.00 60.38 ? 688 NAG A O6 1 HETATM 2751 O O7 . NAG L 2 . ? 13.734 13.721 15.953 1.00 59.52 ? 688 NAG A O7 1 HETATM 2752 ZN ZN . ZN M 4 . ? 14.569 22.839 24.063 1.00 35.31 ? 689 ZN A ZN 1 HETATM 2753 ZN ZN . ZN N 4 . ? 3.096 10.504 7.360 1.00 47.87 ? 690 ZN A ZN 1 HETATM 2754 FE FE . FE O 5 . ? 14.188 2.136 15.092 1.00 26.78 ? 691 FE A FE 1 HETATM 2755 C C . CO3 P 6 . ? 12.745 0.115 15.346 1.00 28.26 ? 1999 CO3 A C 1 HETATM 2756 O O1 . CO3 P 6 . ? 14.049 0.013 15.604 1.00 30.46 ? 1999 CO3 A O1 1 HETATM 2757 O O2 . CO3 P 6 . ? 12.225 1.247 15.028 1.00 27.44 ? 1999 CO3 A O2 1 HETATM 2758 O O3 . CO3 P 6 . ? 11.931 -0.870 15.377 1.00 25.95 ? 1999 CO3 A O3 1 HETATM 2759 S S . SO4 Q 7 . ? -1.559 -6.215 -4.590 1.00 75.24 ? 2000 SO4 A S 1 HETATM 2760 O O1 . SO4 Q 7 . ? -1.449 -5.272 -3.485 1.00 74.99 ? 2000 SO4 A O1 1 HETATM 2761 O O2 . SO4 Q 7 . ? -2.865 -6.048 -5.217 1.00 76.16 ? 2000 SO4 A O2 1 HETATM 2762 O O3 . SO4 Q 7 . ? -0.514 -5.956 -5.577 1.00 75.68 ? 2000 SO4 A O3 1 HETATM 2763 O O4 . SO4 Q 7 . ? -1.412 -7.578 -4.093 1.00 75.29 ? 2000 SO4 A O4 1 HETATM 2764 S S . SO4 R 7 . ? 29.521 23.230 20.373 1.00 134.49 ? 2001 SO4 A S 1 HETATM 2765 O O1 . SO4 R 7 . ? 30.865 22.681 20.230 1.00 134.45 ? 2001 SO4 A O1 1 HETATM 2766 O O2 . SO4 R 7 . ? 29.597 24.535 21.021 1.00 134.35 ? 2001 SO4 A O2 1 HETATM 2767 O O3 . SO4 R 7 . ? 28.916 23.370 19.050 1.00 134.34 ? 2001 SO4 A O3 1 HETATM 2768 O O4 . SO4 R 7 . ? 28.709 22.336 21.195 1.00 134.49 ? 2001 SO4 A O4 1 HETATM 2769 O O . HOH S 8 . ? 10.879 -10.607 14.259 1.00 25.10 ? 2002 HOH A O 1 HETATM 2770 O O . HOH S 8 . ? 6.145 -0.264 11.466 1.00 28.60 ? 2003 HOH A O 1 HETATM 2771 O O . HOH S 8 . ? 27.272 8.857 29.907 1.00 30.43 ? 2004 HOH A O 1 HETATM 2772 O O . HOH S 8 . ? 25.780 1.691 19.736 1.00 25.74 ? 2005 HOH A O 1 HETATM 2773 O O . HOH S 8 . ? -3.638 -1.766 4.500 1.00 42.12 ? 2006 HOH A O 1 HETATM 2774 O O . HOH S 8 . ? 13.156 5.541 16.555 1.00 25.21 ? 2007 HOH A O 1 HETATM 2775 O O . HOH S 8 . ? 2.998 0.567 5.880 1.00 32.01 ? 2008 HOH A O 1 HETATM 2776 O O . HOH S 8 . ? 22.482 -0.250 20.738 1.00 20.98 ? 2009 HOH A O 1 HETATM 2777 O O . HOH S 8 . ? 3.074 -12.166 3.889 1.00 31.76 ? 2010 HOH A O 1 HETATM 2778 O O . HOH S 8 . ? 25.186 -0.814 21.261 1.00 24.14 ? 2011 HOH A O 1 HETATM 2779 O O . HOH S 8 . ? 25.534 -8.551 19.185 1.00 30.47 ? 2012 HOH A O 1 HETATM 2780 O O . HOH S 8 . ? 19.276 -13.207 10.887 1.00 31.28 ? 2013 HOH A O 1 HETATM 2781 O O . HOH S 8 . ? 17.925 5.874 12.467 1.00 30.41 ? 2014 HOH A O 1 HETATM 2782 O O . HOH S 8 . ? 19.063 -5.010 11.808 1.00 32.02 ? 2015 HOH A O 1 HETATM 2783 O O . HOH S 8 . ? 23.483 -3.846 33.383 1.00 30.15 ? 2016 HOH A O 1 HETATM 2784 O O . HOH S 8 . ? 17.196 -1.604 7.856 1.00 28.67 ? 2017 HOH A O 1 HETATM 2785 O O . HOH S 8 . ? 22.496 -6.732 19.483 1.00 26.58 ? 2018 HOH A O 1 HETATM 2786 O O . HOH S 8 . ? 17.727 -5.005 23.386 1.00 29.82 ? 2019 HOH A O 1 HETATM 2787 O O . HOH S 8 . ? 28.007 7.315 32.343 1.00 36.10 ? 2020 HOH A O 1 HETATM 2788 O O . HOH S 8 . ? 26.867 -0.117 11.423 1.00 34.27 ? 2021 HOH A O 1 HETATM 2789 O O . HOH S 8 . ? 12.569 5.642 5.860 1.00 44.26 ? 2022 HOH A O 1 HETATM 2790 O O . HOH S 8 . ? 18.605 -3.709 14.284 1.00 35.95 ? 2023 HOH A O 1 HETATM 2791 O O . HOH S 8 . ? 16.763 12.951 30.101 1.00 31.11 ? 2024 HOH A O 1 HETATM 2792 O O . HOH S 8 . ? 32.147 3.767 8.372 1.00 41.16 ? 2025 HOH A O 1 HETATM 2793 O O . HOH S 8 . ? 23.536 -7.856 30.644 1.00 32.37 ? 2026 HOH A O 1 HETATM 2794 O O . HOH S 8 . ? 16.669 3.306 12.181 1.00 27.21 ? 2027 HOH A O 1 HETATM 2795 O O . HOH S 8 . ? 18.890 0.090 9.210 1.00 36.06 ? 2028 HOH A O 1 HETATM 2796 O O . HOH S 8 . ? 30.485 -3.158 34.831 1.00 37.60 ? 2029 HOH A O 1 HETATM 2797 O O . HOH S 8 . ? 1.432 -12.937 19.181 1.00 29.36 ? 2030 HOH A O 1 HETATM 2798 O O . HOH S 8 . ? -7.796 -7.031 11.971 1.00 60.03 ? 2031 HOH A O 1 HETATM 2799 O O . HOH S 8 . ? 18.429 0.245 19.727 1.00 35.69 ? 2032 HOH A O 1 HETATM 2800 O O . HOH S 8 . ? -0.634 4.370 5.910 1.00 52.28 ? 2033 HOH A O 1 HETATM 2801 O O . HOH S 8 . ? 21.370 -20.906 -3.517 1.00 63.62 ? 2034 HOH A O 1 HETATM 2802 O O . HOH S 8 . ? 20.157 -1.338 20.924 1.00 29.61 ? 2035 HOH A O 1 HETATM 2803 O O . HOH S 8 . ? 16.956 4.402 8.164 1.00 36.09 ? 2036 HOH A O 1 HETATM 2804 O O . HOH S 8 . ? 16.169 -4.153 26.088 1.00 34.30 ? 2037 HOH A O 1 HETATM 2805 O O . HOH S 8 . ? 16.373 15.232 28.545 1.00 40.06 ? 2038 HOH A O 1 HETATM 2806 O O . HOH S 8 . ? 22.186 -4.561 17.630 1.00 36.11 ? 2039 HOH A O 1 HETATM 2807 O O . HOH S 8 . ? 27.473 -6.291 31.558 1.00 27.36 ? 2040 HOH A O 1 HETATM 2808 O O . HOH S 8 . ? 18.270 17.308 28.079 1.00 38.21 ? 2041 HOH A O 1 HETATM 2809 O O . HOH S 8 . ? 20.434 5.826 9.706 1.00 43.49 ? 2042 HOH A O 1 HETATM 2810 O O . HOH S 8 . ? 31.516 13.926 33.505 1.00 48.17 ? 2043 HOH A O 1 HETATM 2811 O O . HOH S 8 . ? -5.190 -2.620 -1.991 1.00 45.24 ? 2044 HOH A O 1 HETATM 2812 O O . HOH S 8 . ? 32.404 -4.516 23.973 1.00 59.71 ? 2045 HOH A O 1 HETATM 2813 O O . HOH S 8 . ? 14.363 -16.091 2.449 1.00 54.26 ? 2046 HOH A O 1 HETATM 2814 O O . HOH S 8 . ? 6.843 12.844 17.406 1.00 44.43 ? 2047 HOH A O 1 HETATM 2815 O O . HOH S 8 . ? 19.955 -2.883 18.541 1.00 36.91 ? 2048 HOH A O 1 HETATM 2816 O O . HOH S 8 . ? 19.128 -1.010 14.193 1.00 36.00 ? 2049 HOH A O 1 HETATM 2817 O O . HOH S 8 . ? 10.370 -19.688 13.892 1.00 33.87 ? 2050 HOH A O 1 HETATM 2818 O O . HOH S 8 . ? 30.847 -8.331 14.736 1.00 40.21 ? 2051 HOH A O 1 HETATM 2819 O O . HOH S 8 . ? 14.573 12.299 13.573 1.00 47.14 ? 2052 HOH A O 1 HETATM 2820 O O . HOH S 8 . ? 30.574 9.686 8.602 1.00 44.91 ? 2053 HOH A O 1 HETATM 2821 O O . HOH S 8 . ? -4.320 -3.131 -6.375 1.00 81.28 ? 2054 HOH A O 1 HETATM 2822 O O . HOH S 8 . ? 36.597 -2.176 9.109 1.00 62.96 ? 2055 HOH A O 1 HETATM 2823 O O . HOH S 8 . ? 24.478 17.627 19.109 1.00 38.75 ? 2056 HOH A O 1 HETATM 2824 O O . HOH S 8 . ? 29.246 12.613 5.293 1.00 67.52 ? 2057 HOH A O 1 HETATM 2825 O O . HOH S 8 . ? 5.557 -11.228 26.899 1.00 45.29 ? 2058 HOH A O 1 HETATM 2826 O O . HOH S 8 . ? 24.635 -20.727 21.201 1.00 47.42 ? 2059 HOH A O 1 HETATM 2827 O O . HOH S 8 . ? 21.781 12.248 32.833 1.00 41.47 ? 2060 HOH A O 1 HETATM 2828 O O . HOH S 8 . ? 9.694 2.249 24.276 1.00 38.20 ? 2061 HOH A O 1 HETATM 2829 O O . HOH S 8 . ? 17.203 24.139 16.776 1.00 72.26 ? 2062 HOH A O 1 HETATM 2830 O O . HOH S 8 . ? 24.885 -17.852 -0.458 1.00 71.64 ? 2063 HOH A O 1 HETATM 2831 O O . HOH S 8 . ? 21.038 0.061 7.436 1.00 36.13 ? 2064 HOH A O 1 HETATM 2832 O O . HOH S 8 . ? 19.502 -16.510 26.718 1.00 40.61 ? 2065 HOH A O 1 HETATM 2833 O O . HOH S 8 . ? 17.302 9.951 26.143 1.00 33.33 ? 2066 HOH A O 1 HETATM 2834 O O . HOH S 8 . ? 29.971 -13.759 9.836 1.00 74.76 ? 2067 HOH A O 1 HETATM 2835 O O . HOH S 8 . ? 6.996 -19.291 22.699 1.00 31.31 ? 2068 HOH A O 1 HETATM 2836 O O . HOH S 8 . ? 32.671 14.377 12.609 1.00 50.43 ? 2069 HOH A O 1 HETATM 2837 O O . HOH S 8 . ? 37.006 -8.592 17.675 1.00 44.40 ? 2070 HOH A O 1 HETATM 2838 O O . HOH S 8 . ? 9.418 3.654 -0.680 1.00 50.07 ? 2071 HOH A O 1 HETATM 2839 O O . HOH S 8 . ? 13.409 -5.098 23.532 1.00 44.37 ? 2072 HOH A O 1 HETATM 2840 O O . HOH S 8 . ? 3.880 10.351 12.028 1.00 42.24 ? 2073 HOH A O 1 HETATM 2841 O O . HOH S 8 . ? 6.389 0.460 24.614 1.00 43.16 ? 2074 HOH A O 1 HETATM 2842 O O . HOH S 8 . ? 41.041 7.669 17.791 1.00 41.46 ? 2075 HOH A O 1 HETATM 2843 O O . HOH S 8 . ? 29.371 12.635 37.076 1.00 38.27 ? 2076 HOH A O 1 HETATM 2844 O O . HOH S 8 . ? 12.832 -2.819 26.720 1.00 55.66 ? 2077 HOH A O 1 HETATM 2845 O O . HOH S 8 . ? 22.168 -4.452 2.162 1.00 54.89 ? 2078 HOH A O 1 HETATM 2846 O O . HOH S 8 . ? 22.419 -12.819 25.426 1.00 45.24 ? 2079 HOH A O 1 HETATM 2847 O O . HOH S 8 . ? 21.312 -4.765 15.050 1.00 37.43 ? 2080 HOH A O 1 HETATM 2848 O O . HOH S 8 . ? 12.590 -20.205 11.754 1.00 42.40 ? 2081 HOH A O 1 HETATM 2849 O O . HOH S 8 . ? -0.947 19.286 17.171 1.00 79.43 ? 2082 HOH A O 1 HETATM 2850 O O . HOH S 8 . ? 18.055 -15.346 -1.131 1.00 76.21 ? 2083 HOH A O 1 HETATM 2851 O O . HOH S 8 . ? 1.005 -16.656 25.277 1.00 57.39 ? 2084 HOH A O 1 HETATM 2852 O O . HOH S 8 . ? 17.574 11.836 7.724 1.00 73.37 ? 2085 HOH A O 1 HETATM 2853 O O . HOH S 8 . ? 23.293 -10.425 12.802 1.00 69.55 ? 2086 HOH A O 1 HETATM 2854 O O . HOH S 8 . ? 21.089 -16.571 5.004 1.00 55.38 ? 2087 HOH A O 1 HETATM 2855 O O . HOH S 8 . ? 21.904 21.290 19.922 1.00 64.53 ? 2088 HOH A O 1 HETATM 2856 O O . HOH S 8 . ? 27.593 -3.451 6.782 1.00 66.27 ? 2089 HOH A O 1 HETATM 2857 O O . HOH S 8 . ? -0.514 -2.438 -4.637 1.00 56.28 ? 2090 HOH A O 1 HETATM 2858 O O . HOH S 8 . ? 22.038 -0.418 15.427 1.00 34.29 ? 2091 HOH A O 1 HETATM 2859 O O . HOH S 8 . ? 32.249 4.617 32.421 1.00 48.11 ? 2092 HOH A O 1 HETATM 2860 O O . HOH S 8 . ? 20.444 16.914 24.018 1.00 38.09 ? 2093 HOH A O 1 HETATM 2861 O O . HOH S 8 . ? 22.828 2.372 -1.529 1.00 64.93 ? 2094 HOH A O 1 HETATM 2862 O O . HOH S 8 . ? 9.784 -13.832 -1.634 1.00 54.01 ? 2095 HOH A O 1 HETATM 2863 O O . HOH S 8 . ? -11.463 -0.118 5.498 1.00 64.99 ? 2096 HOH A O 1 HETATM 2864 O O . HOH S 8 . ? 38.548 15.643 27.956 1.00 82.04 ? 2097 HOH A O 1 HETATM 2865 O O . HOH S 8 . ? 16.221 -20.718 22.472 1.00 64.64 ? 2098 HOH A O 1 HETATM 2866 O O . HOH S 8 . ? 27.522 8.220 -1.247 1.00 72.88 ? 2099 HOH A O 1 HETATM 2867 O O . HOH S 8 . ? -0.417 -10.300 19.860 1.00 37.75 ? 2100 HOH A O 1 HETATM 2868 O O . HOH S 8 . ? 28.243 17.023 29.083 1.00 52.51 ? 2101 HOH A O 1 HETATM 2869 O O . HOH S 8 . ? 38.832 13.025 20.205 1.00 67.59 ? 2102 HOH A O 1 HETATM 2870 O O . HOH S 8 . ? 2.557 -1.520 27.003 1.00 43.31 ? 2103 HOH A O 1 HETATM 2871 O O . HOH S 8 . ? 6.953 6.727 -1.744 1.00 63.80 ? 2104 HOH A O 1 HETATM 2872 O O . HOH S 8 . ? 26.145 17.120 23.434 1.00 59.68 ? 2105 HOH A O 1 HETATM 2873 O O . HOH S 8 . ? -3.880 -10.057 28.017 1.00 81.26 ? 2106 HOH A O 1 HETATM 2874 O O . HOH S 8 . ? 3.648 12.377 36.291 1.00 86.23 ? 2107 HOH A O 1 HETATM 2875 O O . HOH S 8 . ? -1.456 -13.372 27.859 1.00 91.47 ? 2108 HOH A O 1 HETATM 2876 O O . HOH S 8 . ? 5.049 -12.512 -2.702 1.00 40.45 ? 2109 HOH A O 1 HETATM 2877 O O . HOH S 8 . ? 2.928 -12.133 26.585 1.00 57.56 ? 2110 HOH A O 1 HETATM 2878 O O . HOH S 8 . ? 39.770 7.358 31.219 1.00 75.34 ? 2111 HOH A O 1 HETATM 2879 O O . HOH S 8 . ? -6.016 16.088 23.300 1.00 75.34 ? 2112 HOH A O 1 HETATM 2880 O O . HOH S 8 . ? 30.687 -12.087 15.603 1.00 60.76 ? 2113 HOH A O 1 HETATM 2881 O O . HOH S 8 . ? 12.324 -16.802 0.705 1.00 61.58 ? 2114 HOH A O 1 HETATM 2882 O O . HOH S 8 . ? 26.399 2.405 -2.819 1.00 66.13 ? 2115 HOH A O 1 HETATM 2883 O O . HOH S 8 . ? -5.891 15.598 26.704 1.00 98.39 ? 2116 HOH A O 1 HETATM 2884 O O . HOH S 8 . ? 40.098 15.638 16.792 1.00 81.82 ? 2117 HOH A O 1 HETATM 2885 O O . HOH S 8 . ? -4.992 -5.332 21.802 1.00 73.67 ? 2118 HOH A O 1 HETATM 2886 O O . HOH S 8 . ? 32.686 -11.071 12.325 1.00 57.82 ? 2119 HOH A O 1 HETATM 2887 O O . HOH S 8 . ? 37.263 12.701 7.790 1.00 55.74 ? 2120 HOH A O 1 HETATM 2888 O O . HOH S 8 . ? 24.374 -10.508 30.665 1.00 42.87 ? 2121 HOH A O 1 HETATM 2889 O O . HOH S 8 . ? 0.886 15.384 21.973 1.00 70.42 ? 2122 HOH A O 1 HETATM 2890 O O . HOH S 8 . ? 10.642 3.338 38.743 1.00 77.15 ? 2123 HOH A O 1 HETATM 2891 O O . HOH S 8 . ? 45.847 9.814 28.952 1.00 56.93 ? 2124 HOH A O 1 HETATM 2892 O O . HOH S 8 . ? 21.531 7.660 -0.875 1.00 80.09 ? 2125 HOH A O 1 HETATM 2893 O O . HOH S 8 . ? -8.727 -7.731 4.021 1.00 67.16 ? 2126 HOH A O 1 HETATM 2894 O O . HOH S 8 . ? 12.962 0.912 32.741 1.00 62.22 ? 2127 HOH A O 1 HETATM 2895 O O . HOH S 8 . ? 5.419 12.589 15.006 1.00 78.96 ? 2128 HOH A O 1 HETATM 2896 O O . HOH S 8 . ? 1.280 9.736 11.833 1.00 76.07 ? 2129 HOH A O 1 HETATM 2897 O O . HOH S 8 . ? 0.580 -18.925 7.322 1.00 73.81 ? 2130 HOH A O 1 HETATM 2898 O O . HOH S 8 . ? 2.144 -22.662 13.401 1.00 79.16 ? 2131 HOH A O 1 HETATM 2899 O O . HOH S 8 . ? 5.392 -19.659 10.829 1.00 37.70 ? 2132 HOH A O 1 HETATM 2900 O O . HOH S 8 . ? 7.467 18.062 19.384 1.00 58.69 ? 2133 HOH A O 1 HETATM 2901 O O . HOH S 8 . ? 8.811 -22.397 20.262 1.00 69.26 ? 2134 HOH A O 1 HETATM 2902 O O . HOH S 8 . ? 19.041 13.391 6.020 1.00 88.75 ? 2135 HOH A O 1 HETATM 2903 O O . HOH S 8 . ? 38.773 10.248 19.442 1.00 61.72 ? 2136 HOH A O 1 HETATM 2904 O O . HOH S 8 . ? 11.420 19.269 26.825 1.00 44.84 ? 2137 HOH A O 1 HETATM 2905 O O . HOH S 8 . ? 23.683 -19.869 3.586 1.00 79.77 ? 2138 HOH A O 1 HETATM 2906 O O . HOH S 8 . ? 2.695 -5.676 -11.345 1.00 70.47 ? 2139 HOH A O 1 HETATM 2907 O O . HOH S 8 . ? -3.907 -14.263 2.009 1.00 44.00 ? 2140 HOH A O 1 HETATM 2908 O O . HOH S 8 . ? -6.847 -15.135 24.774 1.00 64.74 ? 2141 HOH A O 1 HETATM 2909 O O . HOH S 8 . ? 27.050 4.157 -5.453 1.00 103.52 ? 2142 HOH A O 1 HETATM 2910 O O . HOH S 8 . ? -7.031 -11.974 6.263 1.00 58.50 ? 2143 HOH A O 1 HETATM 2911 O O . HOH S 8 . ? 25.997 -5.719 -0.152 1.00 86.80 ? 2144 HOH A O 1 HETATM 2912 O O . HOH S 8 . ? 29.052 -9.868 12.992 1.00 67.00 ? 2145 HOH A O 1 HETATM 2913 O O . HOH S 8 . ? 29.094 20.766 -1.953 1.00 89.87 ? 2146 HOH A O 1 HETATM 2914 O O . HOH S 8 . ? 21.273 -10.830 6.832 1.00 44.19 ? 2147 HOH A O 1 HETATM 2915 O O . HOH S 8 . ? 14.831 -21.482 12.276 1.00 58.68 ? 2148 HOH A O 1 HETATM 2916 O O . HOH S 8 . ? -6.931 13.112 22.037 1.00 77.75 ? 2149 HOH A O 1 HETATM 2917 O O . HOH S 8 . ? 10.218 3.883 32.258 1.00 92.23 ? 2150 HOH A O 1 HETATM 2918 O O . HOH S 8 . ? 13.046 -1.017 -7.273 1.00 62.19 ? 2151 HOH A O 1 HETATM 2919 O O . HOH S 8 . ? 31.998 -11.087 21.431 1.00 48.13 ? 2152 HOH A O 1 HETATM 2920 O O . HOH S 8 . ? 41.042 -5.821 19.777 1.00 71.23 ? 2153 HOH A O 1 HETATM 2921 O O . HOH S 8 . ? 3.691 -15.579 29.181 1.00 47.76 ? 2154 HOH A O 1 HETATM 2922 O O . HOH S 8 . ? 26.298 -16.472 23.085 1.00 68.35 ? 2155 HOH A O 1 HETATM 2923 O O . HOH S 8 . ? -5.866 -5.641 -2.637 1.00 53.09 ? 2156 HOH A O 1 HETATM 2924 O O . HOH S 8 . ? 33.914 1.853 32.946 1.00 42.40 ? 2157 HOH A O 1 HETATM 2925 O O . HOH S 8 . ? 24.266 -8.453 -6.019 1.00 92.06 ? 2158 HOH A O 1 HETATM 2926 O O . HOH S 8 . ? 33.754 -13.811 7.764 1.00 87.92 ? 2159 HOH A O 1 HETATM 2927 O O . HOH S 8 . ? 22.264 -15.476 15.821 1.00 55.90 ? 2160 HOH A O 1 HETATM 2928 O O . HOH S 8 . ? 15.656 -15.257 -1.562 1.00 59.93 ? 2161 HOH A O 1 HETATM 2929 O O . HOH S 8 . ? -1.379 -16.079 6.146 1.00 53.84 ? 2162 HOH A O 1 HETATM 2930 O O . HOH S 8 . ? 24.987 -5.307 -7.042 1.00 86.04 ? 2163 HOH A O 1 HETATM 2931 O O . HOH S 8 . ? 13.737 14.251 12.145 1.00 88.02 ? 2164 HOH A O 1 HETATM 2932 O O . HOH S 8 . ? 19.335 -8.953 -2.051 1.00 55.05 ? 2165 HOH A O 1 HETATM 2933 O O . HOH S 8 . ? 51.602 12.933 17.027 1.00 74.25 ? 2166 HOH A O 1 HETATM 2934 O O . HOH S 8 . ? 7.662 21.810 15.700 1.00 69.81 ? 2167 HOH A O 1 HETATM 2935 O O . HOH S 8 . ? 9.968 -20.956 7.146 1.00 68.23 ? 2168 HOH A O 1 HETATM 2936 O O . HOH S 8 . ? 15.349 4.251 40.064 1.00 49.88 ? 2169 HOH A O 1 HETATM 2937 O O . HOH S 8 . ? 10.980 -19.105 22.689 1.00 61.26 ? 2170 HOH A O 1 HETATM 2938 O O . HOH S 8 . ? 20.155 10.578 -4.846 1.00 87.13 ? 2171 HOH A O 1 HETATM 2939 O O . HOH S 8 . ? 25.493 -1.834 3.794 1.00 68.53 ? 2172 HOH A O 1 HETATM 2940 O O . HOH S 8 . ? 30.981 -6.067 12.546 1.00 41.46 ? 2173 HOH A O 1 HETATM 2941 O O . HOH S 8 . ? 24.901 -5.990 32.251 1.00 31.61 ? 2174 HOH A O 1 HETATM 2942 O O . HOH S 8 . ? 19.914 -1.096 17.116 1.00 34.27 ? 2175 HOH A O 1 HETATM 2943 O O . HOH S 8 . ? 19.955 20.278 26.589 1.00 51.17 ? 2176 HOH A O 1 HETATM 2944 O O . HOH S 8 . ? 4.309 8.008 -2.515 1.00 54.63 ? 2177 HOH A O 1 HETATM 2945 O O . HOH S 8 . ? 12.538 20.169 30.083 1.00 41.01 ? 2178 HOH A O 1 HETATM 2946 O O . HOH S 8 . ? -7.947 -11.442 10.396 1.00 49.32 ? 2179 HOH A O 1 HETATM 2947 O O . HOH S 8 . ? 21.047 1.966 15.017 1.00 29.80 ? 2180 HOH A O 1 HETATM 2948 O O . HOH S 8 . ? 20.392 -9.338 4.633 1.00 54.17 ? 2181 HOH A O 1 HETATM 2949 O O . HOH S 8 . ? 29.948 20.869 2.543 1.00 62.70 ? 2182 HOH A O 1 HETATM 2950 O O . HOH S 8 . ? 0.954 6.824 5.281 1.00 49.17 ? 2183 HOH A O 1 HETATM 2951 O O . HOH S 8 . ? 4.721 -20.520 22.113 1.00 53.95 ? 2184 HOH A O 1 HETATM 2952 O O . HOH S 8 . ? 14.059 16.167 30.019 1.00 42.49 ? 2185 HOH A O 1 HETATM 2953 O O . HOH S 8 . ? 30.895 19.006 23.138 1.00 59.16 ? 2186 HOH A O 1 HETATM 2954 O O . HOH S 8 . ? 41.437 -3.501 8.973 1.00 65.48 ? 2187 HOH A O 1 HETATM 2955 O O . HOH S 8 . ? 16.794 13.214 -1.670 1.00 64.04 ? 2188 HOH A O 1 HETATM 2956 O O . HOH S 8 . ? 26.281 -7.651 3.040 1.00 60.00 ? 2189 HOH A O 1 HETATM 2957 O O . HOH S 8 . ? 5.165 15.916 17.959 1.00 72.87 ? 2190 HOH A O 1 HETATM 2958 O O . HOH S 8 . ? 5.246 -11.108 29.650 1.00 55.44 ? 2191 HOH A O 1 HETATM 2959 O O . HOH S 8 . ? 9.750 -17.928 0.715 1.00 72.60 ? 2192 HOH A O 1 HETATM 2960 O O . HOH S 8 . ? 20.701 9.686 35.002 1.00 47.72 ? 2193 HOH A O 1 HETATM 2961 O O . HOH S 8 . ? 38.277 17.023 19.361 1.00 70.82 ? 2194 HOH A O 1 HETATM 2962 O O . HOH S 8 . ? 17.293 7.420 -5.775 1.00 64.97 ? 2195 HOH A O 1 HETATM 2963 O O . HOH S 8 . ? 6.158 -3.464 31.023 1.00 77.72 ? 2196 HOH A O 1 HETATM 2964 O O . HOH S 8 . ? 19.568 13.823 -5.983 1.00 76.88 ? 2197 HOH A O 1 HETATM 2965 O O . HOH S 8 . ? 34.752 -5.266 12.868 1.00 65.37 ? 2198 HOH A O 1 HETATM 2966 O O . HOH S 8 . ? 11.187 11.932 2.468 1.00 79.89 ? 2199 HOH A O 1 HETATM 2967 O O . HOH S 8 . ? 36.645 -11.910 18.276 1.00 64.91 ? 2200 HOH A O 1 HETATM 2968 O O . HOH S 8 . ? 32.998 -2.672 10.770 1.00 59.33 ? 2201 HOH A O 1 HETATM 2969 O O . HOH S 8 . ? -0.340 -19.289 14.185 1.00 57.41 ? 2202 HOH A O 1 HETATM 2970 O O . HOH S 8 . ? 8.296 18.449 22.550 1.00 68.00 ? 2203 HOH A O 1 HETATM 2971 O O . HOH S 8 . ? 28.561 -8.936 3.040 1.00 62.76 ? 2204 HOH A O 1 HETATM 2972 O O . HOH S 8 . ? 12.499 -14.430 -4.519 1.00 50.03 ? 2205 HOH A O 1 HETATM 2973 O O . HOH S 8 . ? 4.901 -14.277 4.726 1.00 42.67 ? 2206 HOH A O 1 HETATM 2974 O O . HOH S 8 . ? 20.266 17.753 26.846 1.00 36.45 ? 2207 HOH A O 1 HETATM 2975 O O . HOH S 8 . ? 24.607 -12.946 25.647 1.00 60.40 ? 2208 HOH A O 1 HETATM 2976 O O . HOH S 8 . ? 37.041 10.012 29.657 1.00 68.30 ? 2209 HOH A O 1 HETATM 2977 O O . HOH S 8 . ? 3.973 12.055 8.075 1.00 95.29 ? 2210 HOH A O 1 HETATM 2978 O O . HOH S 8 . ? 17.716 -9.899 -5.229 1.00 64.16 ? 2211 HOH A O 1 HETATM 2979 O O . HOH S 8 . ? 2.151 -15.943 1.544 1.00 66.07 ? 2212 HOH A O 1 HETATM 2980 O O . HOH S 8 . ? 39.645 -3.523 12.144 1.00 60.80 ? 2213 HOH A O 1 HETATM 2981 O O . HOH S 8 . ? 20.979 16.564 -4.459 1.00 103.96 ? 2214 HOH A O 1 HETATM 2982 O O . HOH S 8 . ? 13.609 1.479 -7.869 1.00 64.36 ? 2215 HOH A O 1 HETATM 2983 O O . HOH S 8 . ? 4.477 -1.982 25.250 1.00 45.35 ? 2216 HOH A O 1 HETATM 2984 O O . HOH S 8 . ? 21.335 -19.621 5.608 1.00 68.53 ? 2217 HOH A O 1 HETATM 2985 O O . HOH S 8 . ? -5.040 -16.496 10.049 1.00 92.79 ? 2218 HOH A O 1 HETATM 2986 O O . HOH S 8 . ? 22.725 -1.049 18.144 1.00 38.45 ? 2219 HOH A O 1 HETATM 2987 O O . HOH S 8 . ? 11.479 9.971 6.731 1.00 60.86 ? 2220 HOH A O 1 HETATM 2988 O O . HOH S 8 . ? 4.503 13.244 38.538 1.00 91.41 ? 2221 HOH A O 1 HETATM 2989 O O . HOH S 8 . ? 11.512 -3.104 -7.678 1.00 70.14 ? 2222 HOH A O 1 HETATM 2990 O O . HOH S 8 . ? 33.466 -5.905 25.923 1.00 49.57 ? 2223 HOH A O 1 HETATM 2991 O O . HOH S 8 . ? 4.654 -12.458 -5.611 1.00 48.85 ? 2224 HOH A O 1 HETATM 2992 O O . HOH S 8 . ? 1.275 9.906 8.039 1.00 36.41 ? 2225 HOH A O 1 HETATM 2993 O O . HOH S 8 . ? 31.306 -4.963 30.208 1.00 48.51 ? 2226 HOH A O 1 HETATM 2994 O O . HOH S 8 . ? -1.132 -11.003 28.984 1.00 82.97 ? 2227 HOH A O 1 HETATM 2995 O O . HOH S 8 . ? 17.060 -6.701 30.012 1.00 48.55 ? 2228 HOH A O 1 HETATM 2996 O O . HOH S 8 . ? 13.719 5.654 -4.011 1.00 76.85 ? 2229 HOH A O 1 HETATM 2997 O O . HOH S 8 . ? 23.189 0.636 3.137 1.00 57.13 ? 2230 HOH A O 1 HETATM 2998 O O . HOH S 8 . ? 29.871 -13.684 17.696 1.00 78.50 ? 2231 HOH A O 1 HETATM 2999 O O . HOH S 8 . ? 8.109 -7.850 27.573 1.00 56.19 ? 2232 HOH A O 1 HETATM 3000 O O . HOH S 8 . ? 5.101 7.450 -5.654 1.00 57.23 ? 2233 HOH A O 1 HETATM 3001 O O . HOH S 8 . ? 23.715 -16.628 4.335 1.00 55.93 ? 2234 HOH A O 1 HETATM 3002 O O . HOH S 8 . ? -1.458 6.709 3.928 1.00 66.87 ? 2235 HOH A O 1 HETATM 3003 O O . HOH S 8 . ? 10.280 18.548 28.963 1.00 49.90 ? 2236 HOH A O 1 HETATM 3004 O O . HOH S 8 . ? 12.600 -20.868 7.684 1.00 62.37 ? 2237 HOH A O 1 HETATM 3005 O O . HOH S 8 . ? 25.187 -4.623 2.305 1.00 78.38 ? 2238 HOH A O 1 HETATM 3006 O O . HOH S 8 . ? -1.935 -8.507 28.811 1.00 107.34 ? 2239 HOH A O 1 HETATM 3007 O O . HOH S 8 . ? 14.560 21.424 19.903 1.00 56.09 ? 2240 HOH A O 1 HETATM 3008 O O . HOH S 8 . ? 18.442 1.519 -8.033 1.00 103.36 ? 2241 HOH A O 1 HETATM 3009 O O . HOH S 8 . ? 15.660 18.162 17.995 1.00 57.53 ? 2242 HOH A O 1 HETATM 3010 O O . HOH S 8 . ? 35.463 15.880 29.213 1.00 77.60 ? 2243 HOH A O 1 HETATM 3011 O O . HOH S 8 . ? 24.668 -2.174 0.011 1.00 81.03 ? 2244 HOH A O 1 HETATM 3012 O O . HOH S 8 . ? 16.702 -17.702 -1.842 1.00 66.41 ? 2245 HOH A O 1 HETATM 3013 O O . HOH S 8 . ? 34.228 11.475 6.020 1.00 71.99 ? 2246 HOH A O 1 HETATM 3014 O O . HOH S 8 . ? 26.599 -14.632 25.694 1.00 48.83 ? 2247 HOH A O 1 HETATM 3015 O O . HOH S 8 . ? 11.212 -21.218 15.733 1.00 62.37 ? 2248 HOH A O 1 HETATM 3016 O O . HOH S 8 . ? 28.191 -22.503 17.410 1.00 76.86 ? 2249 HOH A O 1 HETATM 3017 O O . HOH S 8 . ? 4.844 -16.485 0.670 1.00 64.41 ? 2250 HOH A O 1 HETATM 3018 O O . HOH S 8 . ? -0.634 10.305 14.637 1.00 60.42 ? 2251 HOH A O 1 HETATM 3019 O O . HOH S 8 . ? 32.859 -1.111 35.995 1.00 54.71 ? 2252 HOH A O 1 HETATM 3020 O O . HOH S 8 . ? -10.486 -7.210 23.511 1.00 77.98 ? 2253 HOH A O 1 HETATM 3021 O O . HOH S 8 . ? 28.670 1.725 39.969 1.00 50.54 ? 2254 HOH A O 1 HETATM 3022 O O . HOH S 8 . ? 45.260 1.177 22.343 1.00 93.08 ? 2255 HOH A O 1 HETATM 3023 O O . HOH S 8 . ? 37.714 -4.747 23.546 1.00 63.42 ? 2256 HOH A O 1 HETATM 3024 O O . HOH S 8 . ? -1.784 2.817 22.330 1.00 49.77 ? 2257 HOH A O 1 HETATM 3025 O O . HOH S 8 . ? 15.312 23.077 22.264 1.00 39.30 ? 2258 HOH A O 1 HETATM 3026 O O . HOH S 8 . ? 26.359 -10.248 25.900 1.00 56.62 ? 2259 HOH A O 1 HETATM 3027 O O . HOH S 8 . ? 22.508 20.888 27.097 1.00 45.81 ? 2260 HOH A O 1 HETATM 3028 O O . HOH S 8 . ? -7.306 -6.087 -0.675 1.00 63.98 ? 2261 HOH A O 1 HETATM 3029 O O . HOH S 8 . ? 32.495 3.791 36.881 1.00 48.57 ? 2262 HOH A O 1 HETATM 3030 O O . HOH S 8 . ? 22.653 12.534 1.193 1.00 72.60 ? 2263 HOH A O 1 HETATM 3031 O O . HOH S 8 . ? 38.327 12.839 4.310 1.00 80.07 ? 2264 HOH A O 1 HETATM 3032 O O . HOH S 8 . ? 36.470 18.028 30.785 1.00 66.57 ? 2265 HOH A O 1 HETATM 3033 O O . HOH S 8 . ? 45.757 2.745 26.881 1.00 58.43 ? 2266 HOH A O 1 HETATM 3034 O O . HOH S 8 . ? 31.826 16.073 8.212 1.00 65.13 ? 2267 HOH A O 1 HETATM 3035 O O . HOH S 8 . ? -5.127 4.423 14.863 1.00 84.05 ? 2268 HOH A O 1 HETATM 3036 O O . HOH S 8 . ? 31.798 24.867 16.168 1.00 93.73 ? 2269 HOH A O 1 HETATM 3037 O O . HOH S 8 . ? 38.664 2.764 29.425 1.00 65.55 ? 2270 HOH A O 1 HETATM 3038 O O . HOH S 8 . ? 37.385 -2.353 25.254 1.00 47.09 ? 2271 HOH A O 1 HETATM 3039 O O . HOH S 8 . ? 31.207 -13.994 7.423 1.00 72.09 ? 2272 HOH A O 1 HETATM 3040 O O . HOH S 8 . ? 21.763 -17.843 7.801 1.00 71.33 ? 2273 HOH A O 1 HETATM 3041 O O . HOH S 8 . ? 32.868 25.213 19.386 1.00 65.51 ? 2274 HOH A O 1 HETATM 3042 O O . HOH S 8 . ? -1.832 -20.638 16.298 1.00 57.57 ? 2275 HOH A O 1 HETATM 3043 O O . HOH S 8 . ? 43.695 8.204 9.517 1.00 86.67 ? 2276 HOH A O 1 HETATM 3044 O O . HOH S 8 . ? -6.645 -9.696 21.651 1.00 112.72 ? 2277 HOH A O 1 HETATM 3045 O O . HOH S 8 . ? 18.256 4.715 -6.237 1.00 97.60 ? 2278 HOH A O 1 HETATM 3046 O O . HOH S 8 . ? 17.110 23.434 14.267 1.00 72.63 ? 2279 HOH A O 1 HETATM 3047 O O . HOH S 8 . ? 0.401 10.871 20.476 1.00 49.23 ? 2280 HOH A O 1 HETATM 3048 O O . HOH S 8 . ? 15.924 -9.277 -7.940 1.00 88.70 ? 2281 HOH A O 1 HETATM 3049 O O . HOH S 8 . ? 8.597 2.916 34.323 1.00 88.19 ? 2282 HOH A O 1 HETATM 3050 O O . HOH S 8 . ? 7.897 12.174 29.182 1.00 84.24 ? 2283 HOH A O 1 HETATM 3051 O O . HOH S 8 . ? 48.809 14.394 31.214 1.00 75.11 ? 2284 HOH A O 1 HETATM 3052 O O . HOH S 8 . ? 23.103 10.903 -5.609 1.00 62.80 ? 2285 HOH A O 1 HETATM 3053 O O . HOH S 8 . ? 12.827 4.081 31.991 1.00 54.58 ? 2286 HOH A O 1 HETATM 3054 O O . HOH S 8 . ? 9.071 -18.220 30.699 1.00 64.48 ? 2287 HOH A O 1 HETATM 3055 O O . HOH S 8 . ? 40.652 -6.278 14.883 1.00 78.59 ? 2288 HOH A O 1 HETATM 3056 O O . HOH S 8 . ? -1.858 16.576 26.748 1.00 83.56 ? 2289 HOH A O 1 HETATM 3057 O O . HOH S 8 . ? 28.187 19.624 0.737 1.00 78.83 ? 2290 HOH A O 1 HETATM 3058 O O . HOH S 8 . ? 47.134 3.437 22.238 1.00 67.62 ? 2291 HOH A O 1 HETATM 3059 O O . HOH S 8 . ? -9.610 -9.491 11.458 1.00 74.88 ? 2292 HOH A O 1 HETATM 3060 O O . HOH S 8 . ? 11.315 -12.327 -3.927 1.00 58.39 ? 2293 HOH A O 1 HETATM 3061 O O . HOH S 8 . ? 18.013 -2.542 -5.901 1.00 85.41 ? 2294 HOH A O 1 HETATM 3062 O O . HOH S 8 . ? 24.031 8.151 -8.491 1.00 69.56 ? 2295 HOH A O 1 HETATM 3063 O O . HOH S 8 . ? 31.951 -12.667 19.220 1.00 72.86 ? 2296 HOH A O 1 HETATM 3064 O O . HOH S 8 . ? 19.805 -24.304 22.285 1.00 74.45 ? 2297 HOH A O 1 HETATM 3065 O O . HOH S 8 . ? 45.769 19.967 18.596 1.00 58.05 ? 2298 HOH A O 1 HETATM 3066 O O . HOH S 8 . ? 4.424 -2.863 33.805 1.00 68.00 ? 2299 HOH A O 1 HETATM 3067 O O . HOH S 8 . ? 3.599 -18.583 6.757 1.00 63.04 ? 2300 HOH A O 1 HETATM 3068 O O . HOH S 8 . ? 39.702 -4.378 21.582 1.00 63.11 ? 2301 HOH A O 1 HETATM 3069 O O . HOH S 8 . ? 31.458 18.915 20.635 1.00 60.30 ? 2302 HOH A O 1 HETATM 3070 O O . HOH S 8 . ? 35.702 15.298 9.371 1.00 64.13 ? 2303 HOH A O 1 HETATM 3071 O O . HOH S 8 . ? 6.296 -11.081 -8.361 1.00 61.46 ? 2304 HOH A O 1 HETATM 3072 O O . HOH S 8 . ? -4.698 8.268 30.028 1.00 84.42 ? 2305 HOH A O 1 HETATM 3073 O O . HOH S 8 . ? 12.999 -0.047 26.958 1.00 53.30 ? 2306 HOH A O 1 HETATM 3074 O O . HOH S 8 . ? 17.898 6.449 9.466 1.00 49.24 ? 2307 HOH A O 1 HETATM 3075 O O . HOH S 8 . ? 22.613 16.496 0.896 1.00 83.89 ? 2308 HOH A O 1 HETATM 3076 O O . HOH S 8 . ? 8.937 -9.955 -10.081 1.00 78.77 ? 2309 HOH A O 1 HETATM 3077 O O . HOH S 8 . ? -3.915 2.643 26.332 1.00 66.21 ? 2310 HOH A O 1 HETATM 3078 O O . HOH S 8 . ? 23.856 -11.258 8.228 1.00 86.40 ? 2311 HOH A O 1 HETATM 3079 O O . HOH S 8 . ? 29.182 22.644 4.006 1.00 68.84 ? 2312 HOH A O 1 HETATM 3080 O O . HOH S 8 . ? 8.574 5.819 38.951 1.00 82.42 ? 2313 HOH A O 1 HETATM 3081 O O . HOH S 8 . ? 45.004 -0.855 19.884 1.00 68.33 ? 2314 HOH A O 1 HETATM 3082 O O . HOH S 8 . ? 26.546 19.297 18.809 1.00 64.14 ? 2315 HOH A O 1 HETATM 3083 O O . HOH S 8 . ? 11.630 -21.985 9.733 1.00 49.99 ? 2316 HOH A O 1 HETATM 3084 O O . HOH S 8 . ? -4.729 -13.650 17.948 1.00 90.45 ? 2317 HOH A O 1 HETATM 3085 O O . HOH S 8 . ? 36.496 19.437 26.081 1.00 54.24 ? 2318 HOH A O 1 HETATM 3086 O O . HOH S 8 . ? 31.997 20.239 -0.816 1.00 73.21 ? 2319 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 345 686 686 PHE PHE 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 2 9 9 NAG NAG A . D 2 NAG 1 2 2 NAG NAG A . E 2 NAG 2 3 3 NAG NAG A . F 3 MAN 3 4 4 MAN MAN A . G 2 NAG 1 5 5 NAG NAG A . H 2 NAG 2 6 6 NAG NAG A . I 3 MAN 3 7 7 MAN MAN A . J 3 MAN 4 8 8 MAN MAN A . K 2 NAG 1 687 1 NAG NAG A . L 2 NAG 2 688 2 NAG NAG A . M 4 ZN 1 689 401 ZN ZN A . N 4 ZN 1 690 402 ZN ZN A . O 5 FE 1 691 687 FE FE A . P 6 CO3 1 1999 1999 CO3 CO3 A . Q 7 SO4 1 2000 501 SO4 SO4 A . R 7 SO4 1 2001 502 SO4 SO4 A . S 8 HOH 1 2002 1 HOH HOH A . S 8 HOH 2 2003 2 HOH HOH A . S 8 HOH 3 2004 3 HOH HOH A . S 8 HOH 4 2005 4 HOH HOH A . S 8 HOH 5 2006 5 HOH HOH A . S 8 HOH 6 2007 6 HOH HOH A . S 8 HOH 7 2008 7 HOH HOH A . S 8 HOH 8 2009 8 HOH HOH A . S 8 HOH 9 2010 9 HOH HOH A . S 8 HOH 10 2011 10 HOH HOH A . S 8 HOH 11 2012 11 HOH HOH A . S 8 HOH 12 2013 12 HOH HOH A . S 8 HOH 13 2014 13 HOH HOH A . S 8 HOH 14 2015 14 HOH HOH A . S 8 HOH 15 2016 15 HOH HOH A . S 8 HOH 16 2017 16 HOH HOH A . S 8 HOH 17 2018 17 HOH HOH A . S 8 HOH 18 2019 18 HOH HOH A . S 8 HOH 19 2020 19 HOH HOH A . S 8 HOH 20 2021 20 HOH HOH A . S 8 HOH 21 2022 21 HOH HOH A . S 8 HOH 22 2023 22 HOH HOH A . S 8 HOH 23 2024 23 HOH HOH A . S 8 HOH 24 2025 24 HOH HOH A . S 8 HOH 25 2026 25 HOH HOH A . S 8 HOH 26 2027 26 HOH HOH A . S 8 HOH 27 2028 27 HOH HOH A . S 8 HOH 28 2029 28 HOH HOH A . S 8 HOH 29 2030 29 HOH HOH A . S 8 HOH 30 2031 30 HOH HOH A . S 8 HOH 31 2032 31 HOH HOH A . S 8 HOH 32 2033 32 HOH HOH A . S 8 HOH 33 2034 33 HOH HOH A . S 8 HOH 34 2035 34 HOH HOH A . S 8 HOH 35 2036 35 HOH HOH A . S 8 HOH 36 2037 36 HOH HOH A . S 8 HOH 37 2038 37 HOH HOH A . S 8 HOH 38 2039 38 HOH HOH A . S 8 HOH 39 2040 39 HOH HOH A . S 8 HOH 40 2041 40 HOH HOH A . S 8 HOH 41 2042 41 HOH HOH A . S 8 HOH 42 2043 42 HOH HOH A . S 8 HOH 43 2044 43 HOH HOH A . S 8 HOH 44 2045 44 HOH HOH A . S 8 HOH 45 2046 45 HOH HOH A . S 8 HOH 46 2047 46 HOH HOH A . S 8 HOH 47 2048 47 HOH HOH A . S 8 HOH 48 2049 48 HOH HOH A . S 8 HOH 49 2050 49 HOH HOH A . S 8 HOH 50 2051 50 HOH HOH A . S 8 HOH 51 2052 51 HOH HOH A . S 8 HOH 52 2053 52 HOH HOH A . S 8 HOH 53 2054 53 HOH HOH A . S 8 HOH 54 2055 54 HOH HOH A . S 8 HOH 55 2056 55 HOH HOH A . S 8 HOH 56 2057 56 HOH HOH A . S 8 HOH 57 2058 57 HOH HOH A . S 8 HOH 58 2059 58 HOH HOH A . S 8 HOH 59 2060 59 HOH HOH A . S 8 HOH 60 2061 60 HOH HOH A . S 8 HOH 61 2062 61 HOH HOH A . S 8 HOH 62 2063 62 HOH HOH A . S 8 HOH 63 2064 63 HOH HOH A . S 8 HOH 64 2065 64 HOH HOH A . S 8 HOH 65 2066 65 HOH HOH A . S 8 HOH 66 2067 66 HOH HOH A . S 8 HOH 67 2068 67 HOH HOH A . S 8 HOH 68 2069 68 HOH HOH A . S 8 HOH 69 2070 69 HOH HOH A . S 8 HOH 70 2071 70 HOH HOH A . S 8 HOH 71 2072 71 HOH HOH A . S 8 HOH 72 2073 72 HOH HOH A . S 8 HOH 73 2074 73 HOH HOH A . S 8 HOH 74 2075 74 HOH HOH A . S 8 HOH 75 2076 75 HOH HOH A . S 8 HOH 76 2077 76 HOH HOH A . S 8 HOH 77 2078 77 HOH HOH A . S 8 HOH 78 2079 78 HOH HOH A . S 8 HOH 79 2080 79 HOH HOH A . S 8 HOH 80 2081 80 HOH HOH A . S 8 HOH 81 2082 81 HOH HOH A . S 8 HOH 82 2083 82 HOH HOH A . S 8 HOH 83 2084 83 HOH HOH A . S 8 HOH 84 2085 84 HOH HOH A . S 8 HOH 85 2086 85 HOH HOH A . S 8 HOH 86 2087 86 HOH HOH A . S 8 HOH 87 2088 87 HOH HOH A . S 8 HOH 88 2089 88 HOH HOH A . S 8 HOH 89 2090 89 HOH HOH A . S 8 HOH 90 2091 90 HOH HOH A . S 8 HOH 91 2092 91 HOH HOH A . S 8 HOH 92 2093 92 HOH HOH A . S 8 HOH 93 2094 93 HOH HOH A . S 8 HOH 94 2095 94 HOH HOH A . S 8 HOH 95 2096 95 HOH HOH A . S 8 HOH 96 2097 96 HOH HOH A . S 8 HOH 97 2098 97 HOH HOH A . S 8 HOH 98 2099 98 HOH HOH A . S 8 HOH 99 2100 99 HOH HOH A . S 8 HOH 100 2101 100 HOH HOH A . S 8 HOH 101 2102 101 HOH HOH A . S 8 HOH 102 2103 102 HOH HOH A . S 8 HOH 103 2104 103 HOH HOH A . S 8 HOH 104 2105 104 HOH HOH A . S 8 HOH 105 2106 105 HOH HOH A . S 8 HOH 106 2107 106 HOH HOH A . S 8 HOH 107 2108 107 HOH HOH A . S 8 HOH 108 2109 108 HOH HOH A . S 8 HOH 109 2110 109 HOH HOH A . S 8 HOH 110 2111 110 HOH HOH A . S 8 HOH 111 2112 111 HOH HOH A . S 8 HOH 112 2113 112 HOH HOH A . S 8 HOH 113 2114 113 HOH HOH A . S 8 HOH 114 2115 114 HOH HOH A . S 8 HOH 115 2116 115 HOH HOH A . S 8 HOH 116 2117 116 HOH HOH A . S 8 HOH 117 2118 117 HOH HOH A . S 8 HOH 118 2119 118 HOH HOH A . S 8 HOH 119 2120 119 HOH HOH A . S 8 HOH 120 2121 120 HOH HOH A . S 8 HOH 121 2122 121 HOH HOH A . S 8 HOH 122 2123 122 HOH HOH A . S 8 HOH 123 2124 123 HOH HOH A . S 8 HOH 124 2125 124 HOH HOH A . S 8 HOH 125 2126 125 HOH HOH A . S 8 HOH 126 2127 126 HOH HOH A . S 8 HOH 127 2128 127 HOH HOH A . S 8 HOH 128 2129 128 HOH HOH A . S 8 HOH 129 2130 129 HOH HOH A . S 8 HOH 130 2131 130 HOH HOH A . S 8 HOH 131 2132 131 HOH HOH A . S 8 HOH 132 2133 132 HOH HOH A . S 8 HOH 133 2134 133 HOH HOH A . S 8 HOH 134 2135 134 HOH HOH A . S 8 HOH 135 2136 135 HOH HOH A . S 8 HOH 136 2137 136 HOH HOH A . S 8 HOH 137 2138 137 HOH HOH A . S 8 HOH 138 2139 138 HOH HOH A . S 8 HOH 139 2140 139 HOH HOH A . S 8 HOH 140 2141 140 HOH HOH A . S 8 HOH 141 2142 141 HOH HOH A . S 8 HOH 142 2143 142 HOH HOH A . S 8 HOH 143 2144 143 HOH HOH A . S 8 HOH 144 2145 144 HOH HOH A . S 8 HOH 145 2146 145 HOH HOH A . S 8 HOH 146 2147 146 HOH HOH A . S 8 HOH 147 2148 147 HOH HOH A . S 8 HOH 148 2149 148 HOH HOH A . S 8 HOH 149 2150 149 HOH HOH A . S 8 HOH 150 2151 150 HOH HOH A . S 8 HOH 151 2152 151 HOH HOH A . S 8 HOH 152 2153 152 HOH HOH A . S 8 HOH 153 2154 153 HOH HOH A . S 8 HOH 154 2155 154 HOH HOH A . S 8 HOH 155 2156 155 HOH HOH A . S 8 HOH 156 2157 156 HOH HOH A . S 8 HOH 157 2158 157 HOH HOH A . S 8 HOH 158 2159 158 HOH HOH A . S 8 HOH 159 2160 159 HOH HOH A . S 8 HOH 160 2161 160 HOH HOH A . S 8 HOH 161 2162 161 HOH HOH A . S 8 HOH 162 2163 162 HOH HOH A . S 8 HOH 163 2164 163 HOH HOH A . S 8 HOH 164 2165 164 HOH HOH A . S 8 HOH 165 2166 165 HOH HOH A . S 8 HOH 166 2167 166 HOH HOH A . S 8 HOH 167 2168 167 HOH HOH A . S 8 HOH 168 2169 168 HOH HOH A . S 8 HOH 169 2170 169 HOH HOH A . S 8 HOH 170 2171 170 HOH HOH A . S 8 HOH 171 2172 171 HOH HOH A . S 8 HOH 172 2173 172 HOH HOH A . S 8 HOH 173 2174 173 HOH HOH A . S 8 HOH 174 2175 174 HOH HOH A . S 8 HOH 175 2176 175 HOH HOH A . S 8 HOH 176 2177 176 HOH HOH A . S 8 HOH 177 2178 177 HOH HOH A . S 8 HOH 178 2179 178 HOH HOH A . S 8 HOH 179 2180 179 HOH HOH A . S 8 HOH 180 2181 180 HOH HOH A . S 8 HOH 181 2182 181 HOH HOH A . S 8 HOH 182 2183 182 HOH HOH A . S 8 HOH 183 2184 183 HOH HOH A . S 8 HOH 184 2185 184 HOH HOH A . S 8 HOH 185 2186 185 HOH HOH A . S 8 HOH 186 2187 186 HOH HOH A . S 8 HOH 187 2188 187 HOH HOH A . S 8 HOH 188 2189 188 HOH HOH A . S 8 HOH 189 2190 189 HOH HOH A . S 8 HOH 190 2191 190 HOH HOH A . S 8 HOH 191 2192 191 HOH HOH A . S 8 HOH 192 2193 192 HOH HOH A . S 8 HOH 193 2194 193 HOH HOH A . S 8 HOH 194 2195 194 HOH HOH A . S 8 HOH 195 2196 195 HOH HOH A . S 8 HOH 196 2197 196 HOH HOH A . S 8 HOH 197 2198 197 HOH HOH A . S 8 HOH 198 2199 198 HOH HOH A . S 8 HOH 199 2200 199 HOH HOH A . S 8 HOH 200 2201 200 HOH HOH A . S 8 HOH 201 2202 201 HOH HOH A . S 8 HOH 202 2203 202 HOH HOH A . S 8 HOH 203 2204 203 HOH HOH A . S 8 HOH 204 2205 204 HOH HOH A . S 8 HOH 205 2206 205 HOH HOH A . S 8 HOH 206 2207 206 HOH HOH A . S 8 HOH 207 2208 207 HOH HOH A . S 8 HOH 208 2209 208 HOH HOH A . S 8 HOH 209 2210 209 HOH HOH A . S 8 HOH 210 2211 210 HOH HOH A . S 8 HOH 211 2212 211 HOH HOH A . S 8 HOH 212 2213 212 HOH HOH A . S 8 HOH 213 2214 213 HOH HOH A . S 8 HOH 214 2215 214 HOH HOH A . S 8 HOH 215 2216 215 HOH HOH A . S 8 HOH 216 2217 216 HOH HOH A . S 8 HOH 217 2218 217 HOH HOH A . S 8 HOH 218 2219 218 HOH HOH A . S 8 HOH 219 2220 219 HOH HOH A . S 8 HOH 220 2221 220 HOH HOH A . S 8 HOH 221 2222 221 HOH HOH A . S 8 HOH 222 2223 222 HOH HOH A . S 8 HOH 223 2224 223 HOH HOH A . S 8 HOH 224 2225 224 HOH HOH A . S 8 HOH 225 2226 225 HOH HOH A . S 8 HOH 226 2227 226 HOH HOH A . S 8 HOH 227 2228 227 HOH HOH A . S 8 HOH 228 2229 228 HOH HOH A . S 8 HOH 229 2230 229 HOH HOH A . S 8 HOH 230 2231 230 HOH HOH A . S 8 HOH 231 2232 231 HOH HOH A . S 8 HOH 232 2233 232 HOH HOH A . S 8 HOH 233 2234 233 HOH HOH A . S 8 HOH 234 2235 234 HOH HOH A . S 8 HOH 235 2236 235 HOH HOH A . S 8 HOH 236 2237 236 HOH HOH A . S 8 HOH 237 2238 237 HOH HOH A . S 8 HOH 238 2239 238 HOH HOH A . S 8 HOH 239 2240 239 HOH HOH A . S 8 HOH 240 2241 240 HOH HOH A . S 8 HOH 241 2242 241 HOH HOH A . S 8 HOH 242 2243 242 HOH HOH A . S 8 HOH 243 2244 243 HOH HOH A . S 8 HOH 244 2245 244 HOH HOH A . S 8 HOH 245 2246 245 HOH HOH A . S 8 HOH 246 2247 246 HOH HOH A . S 8 HOH 247 2248 247 HOH HOH A . S 8 HOH 248 2249 248 HOH HOH A . S 8 HOH 249 2250 249 HOH HOH A . S 8 HOH 250 2251 250 HOH HOH A . S 8 HOH 251 2252 251 HOH HOH A . S 8 HOH 252 2253 252 HOH HOH A . S 8 HOH 253 2254 253 HOH HOH A . S 8 HOH 254 2255 254 HOH HOH A . S 8 HOH 255 2256 255 HOH HOH A . S 8 HOH 256 2257 256 HOH HOH A . S 8 HOH 257 2258 257 HOH HOH A . S 8 HOH 258 2259 258 HOH HOH A . S 8 HOH 259 2260 259 HOH HOH A . S 8 HOH 260 2261 260 HOH HOH A . S 8 HOH 261 2262 261 HOH HOH A . S 8 HOH 262 2263 262 HOH HOH A . S 8 HOH 263 2264 263 HOH HOH A . S 8 HOH 264 2265 264 HOH HOH A . S 8 HOH 265 2266 265 HOH HOH A . S 8 HOH 266 2267 266 HOH HOH A . S 8 HOH 267 2268 267 HOH HOH A . S 8 HOH 268 2269 268 HOH HOH A . S 8 HOH 269 2270 269 HOH HOH A . S 8 HOH 270 2271 270 HOH HOH A . S 8 HOH 271 2272 271 HOH HOH A . S 8 HOH 272 2273 272 HOH HOH A . S 8 HOH 273 2274 273 HOH HOH A . S 8 HOH 274 2275 274 HOH HOH A . S 8 HOH 275 2276 275 HOH HOH A . S 8 HOH 276 2277 276 HOH HOH A . S 8 HOH 277 2278 277 HOH HOH A . S 8 HOH 278 2279 278 HOH HOH A . S 8 HOH 279 2280 279 HOH HOH A . S 8 HOH 280 2281 280 HOH HOH A . S 8 HOH 281 2282 281 HOH HOH A . S 8 HOH 282 2283 282 HOH HOH A . S 8 HOH 283 2284 283 HOH HOH A . S 8 HOH 284 2285 284 HOH HOH A . S 8 HOH 285 2286 285 HOH HOH A . S 8 HOH 286 2287 286 HOH HOH A . S 8 HOH 287 2288 287 HOH HOH A . S 8 HOH 288 2289 288 HOH HOH A . S 8 HOH 289 2290 289 HOH HOH A . S 8 HOH 290 2291 290 HOH HOH A . S 8 HOH 291 2292 291 HOH HOH A . S 8 HOH 292 2293 292 HOH HOH A . S 8 HOH 293 2294 293 HOH HOH A . S 8 HOH 294 2295 294 HOH HOH A . S 8 HOH 295 2296 295 HOH HOH A . S 8 HOH 296 2297 296 HOH HOH A . S 8 HOH 297 2298 297 HOH HOH A . S 8 HOH 298 2299 298 HOH HOH A . S 8 HOH 299 2300 299 HOH HOH A . S 8 HOH 300 2301 300 HOH HOH A . S 8 HOH 301 2302 301 HOH HOH A . S 8 HOH 302 2303 302 HOH HOH A . S 8 HOH 303 2304 303 HOH HOH A . S 8 HOH 304 2305 304 HOH HOH A . S 8 HOH 305 2306 305 HOH HOH A . S 8 HOH 306 2307 306 HOH HOH A . S 8 HOH 307 2308 307 HOH HOH A . S 8 HOH 308 2309 308 HOH HOH A . S 8 HOH 309 2310 309 HOH HOH A . S 8 HOH 310 2311 310 HOH HOH A . S 8 HOH 311 2312 311 HOH HOH A . S 8 HOH 312 2313 312 HOH HOH A . S 8 HOH 313 2314 313 HOH HOH A . S 8 HOH 314 2315 314 HOH HOH A . S 8 HOH 315 2316 315 HOH HOH A . S 8 HOH 316 2317 316 HOH HOH A . S 8 HOH 317 2318 317 HOH HOH A . S 8 HOH 318 2319 318 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 # _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 ? O FE . ? A FE 691 ? 1_555 OH ? A TYR 92 ? A TYR 433 ? 1_555 87.7 ? 2 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? O FE . ? A FE 691 ? 1_555 OH ? A TYR 185 ? A TYR 526 ? 1_555 171.6 ? 3 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? O FE . ? A FE 691 ? 1_555 OH ? A TYR 185 ? A TYR 526 ? 1_555 95.1 ? 4 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? O FE . ? A FE 691 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 92.3 ? 5 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? O FE . ? A FE 691 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 101.4 ? 6 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? O FE . ? A FE 691 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 79.3 ? 7 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? O FE . ? A FE 691 ? 1_555 O1 ? P CO3 . ? A CO3 1999 ? 1_555 89.7 ? 8 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? O FE . ? A FE 691 ? 1_555 O1 ? P CO3 . ? A CO3 1999 ? 1_555 154.5 ? 9 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? O FE . ? A FE 691 ? 1_555 O1 ? P CO3 . ? A CO3 1999 ? 1_555 91.1 ? 10 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 FE ? O FE . ? A FE 691 ? 1_555 O1 ? P CO3 . ? A CO3 1999 ? 1_555 104.1 ? 11 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? O FE . ? A FE 691 ? 1_555 O2 ? P CO3 . ? A CO3 1999 ? 1_555 86.9 ? 12 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? O FE . ? A FE 691 ? 1_555 O2 ? P CO3 . ? A CO3 1999 ? 1_555 91.3 ? 13 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? O FE . ? A FE 691 ? 1_555 O2 ? P CO3 . ? A CO3 1999 ? 1_555 100.9 ? 14 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 FE ? O FE . ? A FE 691 ? 1_555 O2 ? P CO3 . ? A CO3 1999 ? 1_555 167.3 ? 15 O1 ? P CO3 . ? A CO3 1999 ? 1_555 FE ? O FE . ? A FE 691 ? 1_555 O2 ? P CO3 . ? A CO3 1999 ? 1_555 63.2 ? 16 NE2 ? A HIS 247 ? A HIS 588 ? 1_555 ZN ? N ZN . ? A ZN 690 ? 1_555 O ? S HOH . ? A HOH 2210 ? 1_555 127.6 ? 17 NE2 ? A HIS 247 ? A HIS 588 ? 1_555 ZN ? N ZN . ? A ZN 690 ? 1_555 O ? S HOH . ? A HOH 2225 ? 1_555 104.6 ? 18 O ? S HOH . ? A HOH 2210 ? 1_555 ZN ? N ZN . ? A ZN 690 ? 1_555 O ? S HOH . ? A HOH 2225 ? 1_555 121.5 ? 19 OE1 ? A GLU 318 ? A GLU 659 ? 1_555 ZN ? M ZN . ? A ZN 689 ? 1_555 OE2 ? A GLU 318 ? A GLU 659 ? 1_555 59.3 ? 20 OE1 ? A GLU 318 ? A GLU 659 ? 1_555 ZN ? M ZN . ? A ZN 689 ? 1_555 O ? S HOH . ? A HOH 2258 ? 1_555 100.8 ? 21 OE2 ? A GLU 318 ? A GLU 659 ? 1_555 ZN ? M ZN . ? A ZN 689 ? 1_555 O ? S HOH . ? A HOH 2258 ? 1_555 99.0 ? # 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 2006-12-19 2 'Structure model' 1 1 2008-05-01 3 'Structure model' 1 2 2011-07-13 4 'Structure model' 1 3 2017-10-18 # _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' 'Refinement description' # _pdbx_audit_revision_category.ordinal 1 _pdbx_audit_revision_category.revision_ordinal 4 _pdbx_audit_revision_category.data_content_type 'Structure model' _pdbx_audit_revision_category.category software # _pdbx_audit_revision_item.ordinal 1 _pdbx_audit_revision_item.revision_ordinal 4 _pdbx_audit_revision_item.data_content_type 'Structure model' _pdbx_audit_revision_item.item '_software.name' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal REFMAC refinement 5.0 ? 1 MAR345 'data collection' 345DTB ? 2 HKL-2000 'data reduction' . ? 3 SCALEPACK 'data scaling' . ? 4 AMoRE phasing . ? 5 # _pdbx_database_remark.id 999 _pdbx_database_remark.text ;SEQUENCE AUTHORS BELIEVE THAT RESIDUES AT POSITIONS 565 AND 608 ARE CORRECT IN THEIR SEQUENCE AND REPRESENT NATURAL MUTANTS. ; # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 C A CYS 625 ? ? CD A PRO 626 ? ? 1.43 2 1 O A CYS 625 ? ? CD A PRO 626 ? ? 1.43 # 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 509 ? ? CG A ASP 509 ? ? OD2 A ASP 509 ? ? 123.95 118.30 5.65 0.90 N 2 1 CB A ASP 536 ? ? CG A ASP 536 ? ? OD2 A ASP 536 ? ? 124.56 118.30 6.26 0.90 N 3 1 CB A ASP 539 ? ? CG A ASP 539 ? ? OD2 A ASP 539 ? ? 123.90 118.30 5.60 0.90 N 4 1 C A CYS 625 ? ? N A PRO 626 ? ? CA A PRO 626 ? ? 158.95 119.30 39.65 1.50 Y 5 1 C A CYS 625 ? ? N A PRO 626 ? ? CD A PRO 626 ? ? 60.86 128.40 -67.54 2.10 Y 6 1 CA A PRO 626 ? ? N A PRO 626 ? ? CD A PRO 626 ? ? 99.61 111.70 -12.09 1.40 N 7 1 CB A ASP 627 ? ? CG A ASP 627 ? ? OD2 A ASP 627 ? ? 123.94 118.30 5.64 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 GLN A 367 ? ? 56.31 19.81 2 1 VAL A 410 ? ? -122.76 -55.19 3 1 HIS A 420 ? ? 57.02 75.94 4 1 ASP A 462 ? ? 80.54 -5.80 5 1 THR A 464 ? ? -59.75 -71.54 6 1 TRP A 467 ? ? -144.42 -63.29 7 1 ALA A 482 ? ? -75.38 47.17 8 1 VAL A 543 ? ? -135.47 -152.37 9 1 GLU A 583 ? ? -99.82 31.72 10 1 PRO A 626 ? ? 123.62 -62.56 11 1 SER A 634 ? ? -175.95 44.87 12 1 THR A 636 ? ? 55.71 8.90 13 1 LEU A 640 ? ? 71.54 -47.17 14 1 ARG A 654 ? ? 21.69 70.14 15 1 ALA A 683 ? ? -118.82 -119.14 16 1 CYS A 684 ? ? 87.63 84.59 17 1 ALA A 685 ? ? -63.61 12.67 # loop_ _pdbx_validate_chiral.id _pdbx_validate_chiral.PDB_model_num _pdbx_validate_chiral.auth_atom_id _pdbx_validate_chiral.label_alt_id _pdbx_validate_chiral.auth_asym_id _pdbx_validate_chiral.auth_comp_id _pdbx_validate_chiral.auth_seq_id _pdbx_validate_chiral.PDB_ins_code _pdbx_validate_chiral.details _pdbx_validate_chiral.omega 1 1 C1 ? A NAG 2 ? 'WRONG HAND' . 2 1 C1 ? A MAN 8 ? PLANAR . # 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 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 ALPHA-D-MANNOSE MAN 4 'ZINC ION' ZN 5 'FE (III) ION' FE 6 'CARBONATE ION' CO3 7 'SULFATE ION' SO4 8 water HOH #