data_2DS9 # _entry.id 2DS9 # _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 2DS9 RCSB RCSB025782 WWPDB D_1000025782 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 2DQV 'the same protein in complex with galactose at 2.7 A resolution' unspecified PDB 2G93 'the same protein in complex with methyl alpha-D-mannopyranoside at 1.9 A resolution' unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 2DS9 _pdbx_database_status.recvd_initial_deposition_date 2006-06-22 _pdbx_database_status.deposit_site PDBJ _pdbx_database_status.process_site PDBJ _pdbx_database_status.status_code_sf ? _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Mir, R.' 1 'Singh, N.' 2 'Sinha, M.' 3 'Sharma, S.' 4 'Bhushan, A.' 5 'Singh, T.P.' 6 # _citation.id primary _citation.title 'Structure of the complex of C-terminal lobe of bovine lactoferrin with mannose at 2.8 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 'Mir, R.' 1 primary 'Singh, N.' 2 primary 'Sinha, M.' 3 primary 'Sharma, S.' 4 primary 'Bhushan, A.' 5 primary 'Singh, T.P.' 6 # _cell.entry_id 2DS9 _cell.length_a 63.818 _cell.length_b 50.387 _cell.length_c 65.982 _cell.angle_alpha 90.00 _cell.angle_beta 108.08 _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 2DS9 _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-lobe(residues 342-686)' ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 5 ? ? ? ? 3 non-polymer man ALPHA-D-MANNOSE 180.156 6 ? ? ? ? 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 1 ? ? ? ? 8 water nat water 18.015 186 ? ? ? ? # _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 2DS9 _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 2DS9 LYS A 224 ? UNP P24627 ASN 584 'SEE REMARK 999' 565 1 1 2DS9 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 2DS9 _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.68 _exptl_crystal.density_percent_sol 54.06 _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 'PEG 3350 monomethyl ether, ZnSO4, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K' _exptl_crystal_grow.pdbx_pH_range . # _diffrn.id 1 _diffrn.ambient_temp 292 _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 2006-06-15 _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 1.541 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source 'ROTATING ANODE' _diffrn_source.type 'RIGAKU RU300' _diffrn_source.pdbx_synchrotron_site ? _diffrn_source.pdbx_synchrotron_beamline ? _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 1.541 # _reflns.entry_id 2DS9 _reflns.observed_criterion_sigma_F 0 _reflns.observed_criterion_sigma_I 0 _reflns.d_resolution_high 2.8 _reflns.d_resolution_low 25 _reflns.number_all 9679 _reflns.number_obs 9679 _reflns.percent_possible_obs 94.9 _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 2.8 _reflns_shell.d_res_low 2.85 _reflns_shell.percent_possible_all 94.9 _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 2DS9 _refine.ls_number_reflns_obs 9121 _refine.ls_number_reflns_all 9679 _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 0 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 25 _refine.ls_d_res_high 2.8 _refine.ls_percent_reflns_obs 94.43 _refine.ls_R_factor_obs 0.19781 _refine.ls_R_factor_all 0.21 _refine.ls_R_factor_R_work 0.19582 _refine.ls_R_factor_R_free 0.22826 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.7 _refine.ls_number_reflns_R_free 549 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.919 _refine.correlation_coeff_Fo_to_Fc_free 0.890 _refine.B_iso_mean 31.247 _refine.aniso_B[1][1] 1.75 _refine.aniso_B[2][2] -1.09 _refine.aniso_B[3][3] -0.72 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] -0.09 _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 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 ? _refine.pdbx_overall_ESU_R_Free 0.378 _refine.overall_SU_ML 0.292 _refine.overall_SU_B 14.575 _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 149 _refine_hist.number_atoms_solvent 186 _refine_hist.number_atoms_total 2940 _refine_hist.d_res_high 2.8 _refine_hist.d_res_low 25 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function r_bond_refined_d 0.011 0.021 ? 2817 'X-RAY DIFFRACTION' ? r_bond_other_d ? ? ? ? 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.791 2.014 ? 3835 'X-RAY DIFFRACTION' ? r_angle_other_deg ? ? ? ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 3.907 3.000 ? 339 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg ? ? ? ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 21.794 15.000 ? 466 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg ? ? ? ? 'X-RAY DIFFRACTION' ? r_chiral_restr 0.105 0.200 ? 453 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.004 0.020 ? 2033 'X-RAY DIFFRACTION' ? r_gen_planes_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbd_refined 0.297 0.300 ? 1330 '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 0.214 0.500 ? 300 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_refined 0.191 0.500 ? 6 'X-RAY DIFFRACTION' ? r_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined 0.346 0.300 ? 37 'X-RAY DIFFRACTION' ? r_symmetry_vdw_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined 0.341 0.500 ? 4 '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 0.670 1.500 ? 1693 'X-RAY DIFFRACTION' ? r_mcbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcangle_it 1.285 2.000 ? 2700 'X-RAY DIFFRACTION' ? r_scbond_it 1.739 3.000 ? 1124 'X-RAY DIFFRACTION' ? r_scangle_it 3.201 4.500 ? 1135 '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 2.779 _refine_ls_shell.d_res_low 2.851 _refine_ls_shell.number_reflns_R_work 634 _refine_ls_shell.R_factor_R_work 0.302 _refine_ls_shell.percent_reflns_obs ? _refine_ls_shell.R_factor_R_free 0.288 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 43 _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 2DS9 _struct.title 'Structure of the complex of C-terminal lobe of bovine lactoferrin with mannose at 2.8 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 2DS9 _struct_keywords.pdbx_keywords 'METAL BINDING PROTEIN' _struct_keywords.text 'lactoferrin, complex, METAL BINDING PROTEIN' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 2 ? D N N 2 ? E N N 3 ? F N N 2 ? G N N 2 ? H N N 3 ? I N N 3 ? J N N 3 ? K N N 3 ? L N N 3 ? M N N 4 ? N N N 4 ? O N N 5 ? P N N 6 ? Q N N 7 ? R 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 THR A 106 ? LEU A 110 ? THR A 447 LEU A 451 5 ? 5 HELX_P HELX_P5 5 TRP A 126 ? GLY A 138 ? TRP A 467 GLY A 479 1 ? 13 HELX_P HELX_P6 6 ALA A 141 ? PHE A 145 ? ALA A 482 PHE A 486 5 ? 5 HELX_P HELX_P7 7 SER A 158 ? ALA A 162 ? SER A 499 ALA A 503 5 ? 5 HELX_P HELX_P8 8 TYR A 183 ? GLU A 194 ? TYR A 524 GLU A 535 1 ? 12 HELX_P HELX_P9 9 ASN A 204 ? ASN A 210 ? ASN A 545 ASN A 551 1 ? 7 HELX_P HELX_P10 10 LYS A 224 ? GLU A 226 ? LYS A 565 GLU A 567 5 ? 3 HELX_P HELX_P11 11 GLU A 242 ? CYS A 246 ? GLU A 583 CYS A 587 5 ? 5 HELX_P HELX_P12 12 ARG A 262 ? GLY A 278 ? ARG A 603 GLY A 619 1 ? 17 HELX_P HELX_P13 13 THR A 315 ? GLY A 321 ? THR A 656 GLY A 662 1 ? 7 HELX_P HELX_P14 14 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 ? ? ? ? ? ? ? 2.008 ? disulf2 disulf ? ? A CYS 17 SG ? ? ? 1_555 A CYS 30 SG ? ? A CYS 358 A CYS 371 1_555 ? ? ? ? ? ? ? 2.020 ? disulf3 disulf ? ? A CYS 64 SG ? ? ? 1_555 A CYS 343 SG ? ? A CYS 405 A CYS 684 1_555 ? ? ? ? ? ? ? 1.961 ? disulf4 disulf ? ? A CYS 84 SG ? ? ? 1_555 A CYS 306 SG ? ? A CYS 425 A CYS 647 1_555 ? ? ? ? ? ? ? 2.027 ? disulf5 disulf ? ? A CYS 116 SG ? ? ? 1_555 A CYS 191 SG ? ? A CYS 457 A CYS 532 1_555 ? ? ? ? ? ? ? 2.033 ? disulf6 disulf ? ? A CYS 140 SG ? ? ? 1_555 A CYS 334 SG ? ? A CYS 481 A CYS 675 1_555 ? ? ? ? ? ? ? 2.011 ? disulf7 disulf ? ? A CYS 150 SG ? ? ? 1_555 A CYS 164 SG ? ? A CYS 491 A CYS 505 1_555 ? ? ? ? ? ? ? 1.947 ? disulf8 disulf ? ? A CYS 161 SG ? ? ? 1_555 A CYS 174 SG ? ? A CYS 502 A CYS 515 1_555 ? ? ? ? ? ? ? 2.019 ? disulf9 disulf ? ? A CYS 232 SG ? ? ? 1_555 A CYS 246 SG ? ? A CYS 573 A CYS 587 1_555 ? ? ? ? ? ? ? 2.028 ? disulf10 disulf ? ? A CYS 284 SG ? ? ? 1_555 A CYS 289 SG ? ? A CYS 625 A CYS 630 1_555 ? ? ? ? ? ? ? 2.267 ? covale1 covale ? ? A ASN 27 ND2 ? ? ? 1_555 B NAG . C1 ? ? A ASN 368 A NAG 1001 1_555 ? ? ? ? ? ? ? 1.426 ? covale2 covale ? ? A ASN 135 ND2 ? ? ? 1_555 C NAG . C1 ? ? A ASN 476 A NAG 2 1_555 ? ? ? ? ? ? ? 1.467 ? covale3 covale ? ? A ASN 204 ND2 ? ? ? 1_555 F NAG . C1 ? ? A ASN 545 A NAG 5 1_555 ? ? ? ? ? ? ? 1.472 ? covale4 covale ? ? C NAG . O4 ? ? ? 1_555 D NAG . C1 ? ? A NAG 2 A NAG 3 1_555 ? ? ? ? ? ? ? 1.458 ? covale5 covale ? ? D NAG . O4 ? ? ? 1_555 E MAN . C1 ? ? A NAG 3 A MAN 4 1_555 ? ? ? ? ? ? ? 1.456 ? covale6 covale ? ? F NAG . O4 ? ? ? 1_555 G NAG . C1 ? ? A NAG 5 A NAG 6 1_555 ? ? ? ? ? ? ? 1.427 ? covale7 covale ? ? G NAG . O4 ? ? ? 1_555 H MAN . C1 ? ? A NAG 6 A MAN 7 1_555 ? ? ? ? ? ? ? 1.436 ? covale8 covale ? ? H MAN . O4 ? ? ? 1_555 I MAN . C1 ? ? A MAN 7 A MAN 8 1_555 ? ? ? ? ? ? ? 1.435 ? covale9 covale ? ? I MAN . O4 ? ? ? 1_555 J MAN . C1 ? ? A MAN 8 A MAN 9 1_555 ? ? ? ? ? ? ? 1.452 ? covale10 covale ? ? J MAN . O4 ? ? ? 1_555 K MAN . C1 ? ? A MAN 9 A MAN 10 1_555 ? ? ? ? ? ? ? 1.459 ? metalc1 metalc ? ? O FE . FE ? ? ? 1_555 A ASP 54 OD1 ? ? A FE 1687 A ASP 395 1_555 ? ? ? ? ? ? ? 1.973 ? metalc2 metalc ? ? O FE . FE ? ? ? 1_555 A TYR 92 OH ? ? A FE 1687 A TYR 433 1_555 ? ? ? ? ? ? ? 1.995 ? metalc3 metalc ? ? O FE . FE ? ? ? 1_555 A TYR 185 OH ? ? A FE 1687 A TYR 526 1_555 ? ? ? ? ? ? ? 1.968 ? metalc4 metalc ? ? O FE . FE ? ? ? 1_555 A HIS 254 NE2 ? ? A FE 1687 A HIS 595 1_555 ? ? ? ? ? ? ? 2.090 ? metalc5 metalc ? ? O FE . FE ? ? ? 1_555 P CO3 . O1 ? ? A FE 1687 A CO3 1688 1_555 ? ? ? ? ? ? ? 2.099 ? metalc6 metalc ? ? O FE . FE ? ? ? 1_555 P CO3 . O2 ? ? A FE 1687 A CO3 1688 1_555 ? ? ? ? ? ? ? 1.940 ? metalc7 metalc ? ? M ZN . ZN ? ? ? 1_555 A GLU 318 OE2 ? ? A ZN 1101 A GLU 659 1_555 ? ? ? ? ? ? ? 1.773 ? metalc8 metalc ? ? N ZN . ZN ? ? ? 1_555 A HIS 247 NE2 ? ? A ZN 1102 A HIS 588 1_555 ? ? ? ? ? ? ? 1.945 ? metalc9 metalc ? ? M ZN . ZN ? ? ? 1_555 R HOH . O ? ? A ZN 1101 A HOH 1742 1_555 ? ? ? ? ? ? ? 2.246 ? metalc10 metalc ? ? N ZN . ZN ? ? ? 1_555 R HOH . O ? ? A ZN 1102 A HOH 1851 1_555 ? ? ? ? ? ? ? 1.731 ? metalc11 metalc ? ? N ZN . ZN ? ? ? 1_555 R HOH . O ? ? A ZN 1102 A HOH 1858 1_555 ? ? ? ? ? ? ? 1.752 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? metalc ? ? # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 2 ? B ? 4 ? C ? 6 ? D ? 5 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? parallel B 1 2 ? anti-parallel B 2 3 ? anti-parallel B 3 4 ? anti-parallel C 1 2 ? parallel C 2 3 ? parallel C 3 4 ? anti-parallel C 4 5 ? anti-parallel C 5 6 ? anti-parallel D 1 2 ? parallel D 2 3 ? parallel D 3 4 ? anti-parallel D 4 5 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 VAL A 4 ? VAL A 9 ? VAL A 345 VAL A 350 A 2 VAL A 28 ? ALA A 33 ? VAL A 369 ALA A 374 B 1 ALA A 50 ? LEU A 53 ? ALA A 391 LEU A 394 B 2 ALA A 255 ? ARG A 259 ? ALA A 596 ARG A 600 B 3 LEU A 66 ? ASN A 73 ? LEU A 407 ASN A 414 B 4 CYS A 306 ? ALA A 308 ? CYS A 647 ALA A 649 C 1 GLN A 148 ? CYS A 150 ? GLN A 489 CYS A 491 C 2 LYS A 114 ? HIS A 117 ? LYS A 455 HIS A 458 C 3 VAL A 199 ? LYS A 203 ? VAL A 540 LYS A 544 C 4 TYR A 92 ? LYS A 99 ? TYR A 433 LYS A 440 C 5 PHE A 228 ? LEU A 231 ? PHE A 569 LEU A 572 C 6 ARG A 237 ? LYS A 238 ? ARG A 578 LYS A 579 D 1 GLN A 148 ? CYS A 150 ? GLN A 489 CYS A 491 D 2 LYS A 114 ? HIS A 117 ? LYS A 455 HIS A 458 D 3 VAL A 199 ? LYS A 203 ? VAL A 540 LYS A 544 D 4 TYR A 92 ? LYS A 99 ? TYR A 433 LYS A 440 D 5 ALA A 249 ? ALA A 251 ? ALA A 590 ALA A 592 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 N TRP A 6 ? N TRP A 347 O THR A 29 ? O THR A 370 B 1 2 N LEU A 53 ? N LEU A 394 O ALA A 255 ? O ALA A 596 B 2 3 O SER A 258 ? O SER A 599 N VAL A 67 ? N VAL A 408 B 3 4 N ALA A 71 ? N ALA A 412 O ALA A 308 ? O ALA A 649 C 1 2 O CYS A 150 ? O CYS A 491 N HIS A 117 ? N HIS A 458 C 2 3 N CYS A 116 ? N CYS A 457 O VAL A 199 ? O VAL A 540 C 3 4 O VAL A 202 ? O VAL A 543 N VAL A 95 ? N VAL A 436 C 4 5 N ALA A 96 ? N ALA A 437 O LEU A 231 ? O LEU A 572 C 5 6 N LEU A 230 ? N LEU A 571 O LYS A 238 ? O LYS A 579 D 1 2 O CYS A 150 ? O CYS A 491 N HIS A 117 ? N HIS A 458 D 2 3 N CYS A 116 ? N CYS A 457 O VAL A 199 ? O VAL A 540 D 3 4 O VAL A 202 ? O VAL A 543 N VAL A 95 ? N VAL A 436 D 4 5 N TYR A 92 ? N TYR A 433 O ALA A 251 ? O ALA A 592 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 1001' AC2 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 2' AC3 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 3' AC4 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE MAN A 4' AC5 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE NAG A 5' AC6 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG A 6' AC7 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE MAN A 7' AC8 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE MAN A 8' AC9 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE MAN A 9' BC1 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE MAN A 10' BC2 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE MAN A 701' BC3 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE ZN A 1101' BC4 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE ZN A 1102' BC5 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE FE A 1687' BC6 Software ? ? ? ? 10 'BINDING SITE FOR RESIDUE CO3 A 1688' BC7 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE SO4 A 1689' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 4 ASN A 27 ? ASN A 368 . ? 1_555 ? 2 AC1 4 HIS A 272 ? HIS A 613 . ? 1_555 ? 3 AC1 4 GLN A 273 ? GLN A 614 . ? 1_555 ? 4 AC1 4 LEU A 276 ? LEU A 617 . ? 1_555 ? 5 AC2 4 NAG D . ? NAG A 3 . ? 1_555 ? 6 AC2 4 ASN A 135 ? ASN A 476 . ? 1_555 ? 7 AC2 4 ALA A 327 ? ALA A 668 . ? 1_555 ? 8 AC2 4 HOH R . ? HOH A 1795 . ? 1_555 ? 9 AC3 4 NAG C . ? NAG A 2 . ? 1_555 ? 10 AC3 4 MAN E . ? MAN A 4 . ? 1_555 ? 11 AC3 4 THR A 326 ? THR A 667 . ? 1_555 ? 12 AC3 4 HOH R . ? HOH A 1813 . ? 1_555 ? 13 AC4 1 NAG D . ? NAG A 3 . ? 1_555 ? 14 AC5 8 NAG G . ? NAG A 6 . ? 1_555 ? 15 AC5 8 ASN A 204 ? ASN A 545 . ? 1_555 ? 16 AC5 8 ASP A 205 ? ASP A 546 . ? 1_555 ? 17 AC5 8 ALA A 243 ? ALA A 584 . ? 1_555 ? 18 AC5 8 HOH R . ? HOH A 1709 . ? 1_555 ? 19 AC5 8 HOH R . ? HOH A 1787 . ? 1_555 ? 20 AC5 8 HOH R . ? HOH A 1836 . ? 1_555 ? 21 AC5 8 HOH R . ? HOH A 1846 . ? 1_555 ? 22 AC6 6 NAG F . ? NAG A 5 . ? 1_555 ? 23 AC6 6 MAN H . ? MAN A 7 . ? 1_555 ? 24 AC6 6 MAN I . ? MAN A 8 . ? 1_555 ? 25 AC6 6 MAN J . ? MAN A 9 . ? 1_555 ? 26 AC6 6 GLU A 214 ? GLU A 555 . ? 1_555 ? 27 AC6 6 HOH R . ? HOH A 1709 . ? 1_555 ? 28 AC7 2 NAG G . ? NAG A 6 . ? 1_555 ? 29 AC7 2 MAN I . ? MAN A 8 . ? 1_555 ? 30 AC8 4 NAG G . ? NAG A 6 . ? 1_555 ? 31 AC8 4 MAN H . ? MAN A 7 . ? 1_555 ? 32 AC8 4 MAN J . ? MAN A 9 . ? 1_555 ? 33 AC8 4 MAN K . ? MAN A 10 . ? 1_555 ? 34 AC9 5 NAG G . ? NAG A 6 . ? 1_555 ? 35 AC9 5 MAN I . ? MAN A 8 . ? 1_555 ? 36 AC9 5 MAN K . ? MAN A 10 . ? 1_555 ? 37 AC9 5 GLU A 214 ? GLU A 555 . ? 1_555 ? 38 AC9 5 ARG A 225 ? ARG A 566 . ? 1_555 ? 39 BC1 3 MAN I . ? MAN A 8 . ? 1_555 ? 40 BC1 3 MAN J . ? MAN A 9 . ? 1_555 ? 41 BC1 3 GLU A 214 ? GLU A 555 . ? 1_555 ? 42 BC2 6 VAL A 250 ? VAL A 591 . ? 1_555 ? 43 BC2 6 GLU A 318 ? GLU A 659 . ? 1_555 ? 44 BC2 6 TYR A 319 ? TYR A 660 . ? 1_555 ? 45 BC2 6 LEU A 320 ? LEU A 661 . ? 1_555 ? 46 BC2 6 GLY A 321 ? GLY A 662 . ? 1_555 ? 47 BC2 6 HOH R . ? HOH A 1871 . ? 1_555 ? 48 BC3 2 GLU A 318 ? GLU A 659 . ? 1_555 ? 49 BC3 2 HOH R . ? HOH A 1742 . ? 1_555 ? 50 BC4 3 HIS A 247 ? HIS A 588 . ? 1_555 ? 51 BC4 3 HOH R . ? HOH A 1851 . ? 1_555 ? 52 BC4 3 HOH R . ? HOH A 1858 . ? 1_555 ? 53 BC5 5 ASP A 54 ? ASP A 395 . ? 1_555 ? 54 BC5 5 TYR A 92 ? TYR A 433 . ? 1_555 ? 55 BC5 5 TYR A 185 ? TYR A 526 . ? 1_555 ? 56 BC5 5 HIS A 254 ? HIS A 595 . ? 1_555 ? 57 BC5 5 CO3 P . ? CO3 A 1688 . ? 1_555 ? 58 BC6 10 ASP A 54 ? ASP A 395 . ? 1_555 ? 59 BC6 10 TYR A 92 ? TYR A 433 . ? 1_555 ? 60 BC6 10 THR A 118 ? THR A 459 . ? 1_555 ? 61 BC6 10 ARG A 122 ? ARG A 463 . ? 1_555 ? 62 BC6 10 THR A 123 ? THR A 464 . ? 1_555 ? 63 BC6 10 ALA A 124 ? ALA A 465 . ? 1_555 ? 64 BC6 10 GLY A 125 ? GLY A 466 . ? 1_555 ? 65 BC6 10 TYR A 185 ? TYR A 526 . ? 1_555 ? 66 BC6 10 HIS A 254 ? HIS A 595 . ? 1_555 ? 67 BC6 10 FE O . ? FE A 1687 . ? 1_555 ? 68 BC7 2 ARG A 229 ? ARG A 570 . ? 1_555 ? 69 BC7 2 ARG A 237 ? ARG A 578 . ? 1_555 ? # _database_PDB_matrix.entry_id 2DS9 _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 2DS9 _atom_sites.fract_transf_matrix[1][1] 0.015670 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.005116 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.019846 _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] 0.015943 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C FE N O S ZN # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . TYR A 1 1 ? 40.932 10.077 30.699 1.00 55.34 ? 342 TYR A N 1 ATOM 2 C CA . TYR A 1 1 ? 40.093 11.306 30.925 1.00 55.24 ? 342 TYR A CA 1 ATOM 3 C C . TYR A 1 1 ? 39.561 11.868 29.609 1.00 53.73 ? 342 TYR A C 1 ATOM 4 O O . TYR A 1 1 ? 38.454 12.400 29.559 1.00 53.94 ? 342 TYR A O 1 ATOM 5 C CB . TYR A 1 1 ? 40.852 12.371 31.722 1.00 56.10 ? 342 TYR A CB 1 ATOM 6 C CG . TYR A 1 1 ? 41.256 11.922 33.116 1.00 59.80 ? 342 TYR A CG 1 ATOM 7 C CD1 . TYR A 1 1 ? 42.248 10.960 33.300 1.00 62.83 ? 342 TYR A CD1 1 ATOM 8 C CD2 . TYR A 1 1 ? 40.654 12.464 34.247 1.00 63.07 ? 342 TYR A CD2 1 ATOM 9 C CE1 . TYR A 1 1 ? 42.626 10.548 34.569 1.00 65.30 ? 342 TYR A CE1 1 ATOM 10 C CE2 . TYR A 1 1 ? 41.026 12.061 35.527 1.00 65.60 ? 342 TYR A CE2 1 ATOM 11 C CZ . TYR A 1 1 ? 42.012 11.097 35.684 1.00 66.84 ? 342 TYR A CZ 1 ATOM 12 O OH . TYR A 1 1 ? 42.392 10.680 36.955 1.00 68.64 ? 342 TYR A OH 1 ATOM 13 N N . THR A 1 2 ? 40.360 11.762 28.552 1.00 51.60 ? 343 THR A N 1 ATOM 14 C CA . THR A 1 2 ? 39.883 12.093 27.220 1.00 49.28 ? 343 THR A CA 1 ATOM 15 C C . THR A 1 2 ? 39.639 10.731 26.580 1.00 47.62 ? 343 THR A C 1 ATOM 16 O O . THR A 1 2 ? 40.088 10.458 25.460 1.00 47.68 ? 343 THR A O 1 ATOM 17 C CB . THR A 1 2 ? 40.922 12.929 26.430 1.00 49.48 ? 343 THR A CB 1 ATOM 18 O OG1 . THR A 1 2 ? 40.330 13.415 25.219 1.00 49.81 ? 343 THR A OG1 1 ATOM 19 C CG2 . THR A 1 2 ? 42.093 12.068 25.935 1.00 48.97 ? 343 THR A CG2 1 ATOM 20 N N . ARG A 1 3 ? 38.929 9.873 27.313 1.00 44.92 ? 344 ARG A N 1 ATOM 21 C CA . ARG A 1 3 ? 38.714 8.491 26.895 1.00 42.44 ? 344 ARG A CA 1 ATOM 22 C C . ARG A 1 3 ? 37.305 7.960 27.186 1.00 40.22 ? 344 ARG A C 1 ATOM 23 O O . ARG A 1 3 ? 36.931 7.747 28.337 1.00 40.17 ? 344 ARG A O 1 ATOM 24 C CB . ARG A 1 3 ? 39.768 7.585 27.549 1.00 42.98 ? 344 ARG A CB 1 ATOM 25 C CG . ARG A 1 3 ? 39.639 6.099 27.179 1.00 44.46 ? 344 ARG A CG 1 ATOM 26 C CD . ARG A 1 3 ? 40.815 5.213 27.593 1.00 46.48 ? 344 ARG A CD 1 ATOM 27 N NE . ARG A 1 3 ? 40.766 4.786 28.995 1.00 48.61 ? 344 ARG A NE 1 ATOM 28 C CZ . ARG A 1 3 ? 39.759 4.121 29.551 1.00 49.03 ? 344 ARG A CZ 1 ATOM 29 N NH1 . ARG A 1 3 ? 38.692 3.795 28.832 1.00 49.49 ? 344 ARG A NH1 1 ATOM 30 N NH2 . ARG A 1 3 ? 39.816 3.779 30.833 1.00 48.55 ? 344 ARG A NH2 1 ATOM 31 N N . VAL A 1 4 ? 36.546 7.723 26.124 1.00 37.17 ? 345 VAL A N 1 ATOM 32 C CA . VAL A 1 4 ? 35.167 7.265 26.200 1.00 34.06 ? 345 VAL A CA 1 ATOM 33 C C . VAL A 1 4 ? 35.032 5.747 26.288 1.00 32.29 ? 345 VAL A C 1 ATOM 34 O O . VAL A 1 4 ? 35.787 5.024 25.638 1.00 32.33 ? 345 VAL A O 1 ATOM 35 C CB . VAL A 1 4 ? 34.457 7.701 24.933 1.00 33.85 ? 345 VAL A CB 1 ATOM 36 C CG1 . VAL A 1 4 ? 33.081 7.097 24.853 1.00 33.83 ? 345 VAL A CG1 1 ATOM 37 C CG2 . VAL A 1 4 ? 34.417 9.202 24.869 1.00 33.09 ? 345 VAL A CG2 1 ATOM 38 N N . VAL A 1 5 ? 34.066 5.270 27.074 1.00 29.68 ? 346 VAL A N 1 ATOM 39 C CA . VAL A 1 5 ? 33.775 3.836 27.190 1.00 27.46 ? 346 VAL A CA 1 ATOM 40 C C . VAL A 1 5 ? 32.425 3.556 26.533 1.00 26.11 ? 346 VAL A C 1 ATOM 41 O O . VAL A 1 5 ? 31.403 4.082 26.976 1.00 26.24 ? 346 VAL A O 1 ATOM 42 C CB . VAL A 1 5 ? 33.709 3.392 28.663 1.00 27.45 ? 346 VAL A CB 1 ATOM 43 C CG1 . VAL A 1 5 ? 33.479 1.887 28.769 1.00 26.51 ? 346 VAL A CG1 1 ATOM 44 C CG2 . VAL A 1 5 ? 34.972 3.810 29.397 1.00 26.99 ? 346 VAL A CG2 1 ATOM 45 N N . TRP A 1 6 ? 32.416 2.724 25.495 1.00 24.08 ? 347 TRP A N 1 ATOM 46 C CA . TRP A 1 6 ? 31.211 2.457 24.712 1.00 22.00 ? 347 TRP A CA 1 ATOM 47 C C . TRP A 1 6 ? 30.537 1.205 25.192 1.00 21.35 ? 347 TRP A C 1 ATOM 48 O O . TRP A 1 6 ? 31.217 0.254 25.551 1.00 21.66 ? 347 TRP A O 1 ATOM 49 C CB . TRP A 1 6 ? 31.592 2.230 23.261 1.00 21.59 ? 347 TRP A CB 1 ATOM 50 C CG . TRP A 1 6 ? 30.483 2.498 22.316 1.00 20.03 ? 347 TRP A CG 1 ATOM 51 C CD1 . TRP A 1 6 ? 29.624 1.595 21.787 1.00 18.12 ? 347 TRP A CD1 1 ATOM 52 C CD2 . TRP A 1 6 ? 30.108 3.772 21.780 1.00 18.25 ? 347 TRP A CD2 1 ATOM 53 N NE1 . TRP A 1 6 ? 28.732 2.223 20.952 1.00 17.03 ? 347 TRP A NE1 1 ATOM 54 C CE2 . TRP A 1 6 ? 29.009 3.562 20.934 1.00 16.99 ? 347 TRP A CE2 1 ATOM 55 C CE3 . TRP A 1 6 ? 30.584 5.078 21.947 1.00 15.73 ? 347 TRP A CE3 1 ATOM 56 C CZ2 . TRP A 1 6 ? 28.393 4.594 20.244 1.00 17.34 ? 347 TRP A CZ2 1 ATOM 57 C CZ3 . TRP A 1 6 ? 29.964 6.097 21.273 1.00 15.38 ? 347 TRP A CZ3 1 ATOM 58 C CH2 . TRP A 1 6 ? 28.881 5.854 20.428 1.00 15.86 ? 347 TRP A CH2 1 ATOM 59 N N . CYS A 1 7 ? 29.210 1.168 25.179 1.00 20.18 ? 348 CYS A N 1 ATOM 60 C CA . CYS A 1 7 ? 28.530 -0.040 25.617 1.00 19.16 ? 348 CYS A CA 1 ATOM 61 C C . CYS A 1 7 ? 28.050 -0.856 24.450 1.00 19.00 ? 348 CYS A C 1 ATOM 62 O O . CYS A 1 7 ? 27.282 -0.377 23.639 1.00 18.96 ? 348 CYS A O 1 ATOM 63 C CB . CYS A 1 7 ? 27.326 0.294 26.456 1.00 19.49 ? 348 CYS A CB 1 ATOM 64 S SG . CYS A 1 7 ? 26.770 -1.158 27.355 1.00 17.86 ? 348 CYS A SG 1 ATOM 65 N N . ALA A 1 8 ? 28.476 -2.102 24.366 1.00 18.76 ? 349 ALA A N 1 ATOM 66 C CA . ALA A 1 8 ? 28.054 -2.936 23.255 1.00 18.45 ? 349 ALA A CA 1 ATOM 67 C C . ALA A 1 8 ? 27.037 -3.994 23.661 1.00 18.21 ? 349 ALA A C 1 ATOM 68 O O . ALA A 1 8 ? 27.192 -4.661 24.682 1.00 18.02 ? 349 ALA A O 1 ATOM 69 C CB . ALA A 1 8 ? 29.254 -3.576 22.607 1.00 18.89 ? 349 ALA A CB 1 ATOM 70 N N . VAL A 1 9 ? 26.010 -4.157 22.833 1.00 18.28 ? 350 VAL A N 1 ATOM 71 C CA . VAL A 1 9 ? 24.944 -5.114 23.103 1.00 18.25 ? 350 VAL A CA 1 ATOM 72 C C . VAL A 1 9 ? 25.106 -6.405 22.348 1.00 18.32 ? 350 VAL A C 1 ATOM 73 O O . VAL A 1 9 ? 24.820 -6.470 21.168 1.00 18.33 ? 350 VAL A O 1 ATOM 74 C CB . VAL A 1 9 ? 23.596 -4.549 22.704 1.00 18.16 ? 350 VAL A CB 1 ATOM 75 C CG1 . VAL A 1 9 ? 22.497 -5.439 23.206 1.00 17.41 ? 350 VAL A CG1 1 ATOM 76 C CG2 . VAL A 1 9 ? 23.449 -3.163 23.268 1.00 18.43 ? 350 VAL A CG2 1 ATOM 77 N N . GLY A 1 10 ? 25.549 -7.440 23.049 1.00 19.14 ? 351 GLY A N 1 ATOM 78 C CA . GLY A 1 10 ? 25.725 -8.759 22.462 1.00 19.83 ? 351 GLY A CA 1 ATOM 79 C C . GLY A 1 10 ? 27.162 -8.970 22.054 1.00 20.47 ? 351 GLY A C 1 ATOM 80 O O . GLY A 1 10 ? 27.904 -7.997 21.889 1.00 20.66 ? 351 GLY A O 1 ATOM 81 N N . PRO A 1 11 ? 27.560 -10.231 21.899 1.00 20.79 ? 352 PRO A N 1 ATOM 82 C CA . PRO A 1 11 ? 28.931 -10.594 21.510 1.00 20.95 ? 352 PRO A CA 1 ATOM 83 C C . PRO A 1 11 ? 29.385 -10.038 20.150 1.00 21.34 ? 352 PRO A C 1 ATOM 84 O O . PRO A 1 11 ? 30.565 -9.755 19.963 1.00 21.54 ? 352 PRO A O 1 ATOM 85 C CB . PRO A 1 11 ? 28.859 -12.116 21.431 1.00 20.68 ? 352 PRO A CB 1 ATOM 86 C CG . PRO A 1 11 ? 27.413 -12.388 21.235 1.00 20.53 ? 352 PRO A CG 1 ATOM 87 C CD . PRO A 1 11 ? 26.727 -11.424 22.125 1.00 20.77 ? 352 PRO A CD 1 ATOM 88 N N . GLU A 1 12 ? 28.468 -9.875 19.211 1.00 21.77 ? 353 GLU A N 1 ATOM 89 C CA . GLU A 1 12 ? 28.855 -9.407 17.882 1.00 22.59 ? 353 GLU A CA 1 ATOM 90 C C . GLU A 1 12 ? 29.274 -7.949 17.833 1.00 22.54 ? 353 GLU A C 1 ATOM 91 O O . GLU A 1 12 ? 30.140 -7.584 17.036 1.00 22.59 ? 353 GLU A O 1 ATOM 92 C CB . GLU A 1 12 ? 27.713 -9.691 16.885 1.00 23.13 ? 353 GLU A CB 1 ATOM 93 C CG . GLU A 1 12 ? 27.852 -10.980 16.103 1.00 24.00 ? 353 GLU A CG 1 ATOM 94 C CD . GLU A 1 12 ? 26.615 -11.229 15.261 1.00 26.83 ? 353 GLU A CD 1 ATOM 95 O OE1 . GLU A 1 12 ? 26.135 -10.277 14.612 1.00 28.78 ? 353 GLU A OE1 1 ATOM 96 O OE2 . GLU A 1 12 ? 26.137 -12.370 15.240 1.00 28.80 ? 353 GLU A OE2 1 ATOM 97 N N . GLU A 1 13 ? 28.672 -7.126 18.696 1.00 22.45 ? 354 GLU A N 1 ATOM 98 C CA . GLU A 1 13 ? 28.996 -5.703 18.812 1.00 22.12 ? 354 GLU A CA 1 ATOM 99 C C . GLU A 1 13 ? 30.200 -5.507 19.714 1.00 22.35 ? 354 GLU A C 1 ATOM 100 O O . GLU A 1 13 ? 30.812 -4.449 19.723 1.00 22.65 ? 354 GLU A O 1 ATOM 101 C CB . GLU A 1 13 ? 27.829 -4.925 19.416 1.00 22.22 ? 354 GLU A CB 1 ATOM 102 C CG . GLU A 1 13 ? 26.769 -4.483 18.428 1.00 21.49 ? 354 GLU A CG 1 ATOM 103 C CD . GLU A 1 13 ? 25.734 -3.577 19.055 1.00 20.00 ? 354 GLU A CD 1 ATOM 104 O OE1 . GLU A 1 13 ? 25.866 -3.261 20.263 1.00 18.72 ? 354 GLU A OE1 1 ATOM 105 O OE2 . GLU A 1 13 ? 24.793 -3.189 18.333 1.00 18.92 ? 354 GLU A OE2 1 ATOM 106 N N . GLN A 1 14 ? 30.518 -6.505 20.523 1.00 22.58 ? 355 GLN A N 1 ATOM 107 C CA . GLN A 1 14 ? 31.721 -6.402 21.325 1.00 23.04 ? 355 GLN A CA 1 ATOM 108 C C . GLN A 1 14 ? 32.887 -6.636 20.372 1.00 22.80 ? 355 GLN A C 1 ATOM 109 O O . GLN A 1 14 ? 33.900 -5.949 20.410 1.00 22.43 ? 355 GLN A O 1 ATOM 110 C CB . GLN A 1 14 ? 31.714 -7.429 22.443 1.00 22.99 ? 355 GLN A CB 1 ATOM 111 C CG . GLN A 1 14 ? 32.863 -7.323 23.404 1.00 25.20 ? 355 GLN A CG 1 ATOM 112 C CD . GLN A 1 14 ? 32.967 -8.574 24.256 1.00 30.53 ? 355 GLN A CD 1 ATOM 113 O OE1 . GLN A 1 14 ? 31.996 -9.317 24.382 1.00 33.09 ? 355 GLN A OE1 1 ATOM 114 N NE2 . GLN A 1 14 ? 34.140 -8.821 24.830 1.00 32.61 ? 355 GLN A NE2 1 ATOM 115 N N . LYS A 1 15 ? 32.728 -7.591 19.477 1.00 23.16 ? 356 LYS A N 1 ATOM 116 C CA . LYS A 1 15 ? 33.806 -7.849 18.555 1.00 23.85 ? 356 LYS A CA 1 ATOM 117 C C . LYS A 1 15 ? 34.017 -6.638 17.662 1.00 23.70 ? 356 LYS A C 1 ATOM 118 O O . LYS A 1 15 ? 35.141 -6.354 17.260 1.00 23.99 ? 356 LYS A O 1 ATOM 119 C CB . LYS A 1 15 ? 33.592 -9.137 17.745 1.00 24.06 ? 356 LYS A CB 1 ATOM 120 C CG . LYS A 1 15 ? 34.553 -9.257 16.551 1.00 26.07 ? 356 LYS A CG 1 ATOM 121 C CD . LYS A 1 15 ? 34.784 -10.697 16.105 1.00 29.73 ? 356 LYS A CD 1 ATOM 122 C CE . LYS A 1 15 ? 33.860 -11.683 16.826 1.00 31.37 ? 356 LYS A CE 1 ATOM 123 N NZ . LYS A 1 15 ? 32.685 -12.120 16.003 1.00 31.56 ? 356 LYS A NZ 1 ATOM 124 N N . LYS A 1 16 ? 32.956 -5.904 17.351 1.00 23.75 ? 357 LYS A N 1 ATOM 125 C CA . LYS A 1 16 ? 33.154 -4.710 16.528 1.00 23.88 ? 357 LYS A CA 1 ATOM 126 C C . LYS A 1 16 ? 33.758 -3.561 17.334 1.00 24.44 ? 357 LYS A C 1 ATOM 127 O O . LYS A 1 16 ? 34.551 -2.792 16.811 1.00 25.10 ? 357 LYS A O 1 ATOM 128 C CB . LYS A 1 16 ? 31.869 -4.262 15.821 1.00 23.44 ? 357 LYS A CB 1 ATOM 129 C CG . LYS A 1 16 ? 32.044 -2.974 15.052 1.00 21.80 ? 357 LYS A CG 1 ATOM 130 C CD . LYS A 1 16 ? 30.808 -2.560 14.258 1.00 19.35 ? 357 LYS A CD 1 ATOM 131 C CE . LYS A 1 16 ? 31.089 -1.235 13.536 1.00 19.34 ? 357 LYS A CE 1 ATOM 132 N NZ . LYS A 1 16 ? 30.154 -0.867 12.423 1.00 19.26 ? 357 LYS A NZ 1 ATOM 133 N N . CYS A 1 17 ? 33.391 -3.455 18.607 1.00 24.92 ? 358 CYS A N 1 ATOM 134 C CA . CYS A 1 17 ? 33.877 -2.379 19.454 1.00 24.93 ? 358 CYS A CA 1 ATOM 135 C C . CYS A 1 17 ? 35.348 -2.567 19.770 1.00 25.65 ? 358 CYS A C 1 ATOM 136 O O . CYS A 1 17 ? 36.136 -1.627 19.708 1.00 25.74 ? 358 CYS A O 1 ATOM 137 C CB . CYS A 1 17 ? 33.059 -2.319 20.734 1.00 24.74 ? 358 CYS A CB 1 ATOM 138 S SG . CYS A 1 17 ? 33.568 -0.994 21.820 1.00 22.54 ? 358 CYS A SG 1 ATOM 139 N N . GLN A 1 18 ? 35.724 -3.789 20.108 1.00 26.56 ? 359 GLN A N 1 ATOM 140 C CA . GLN A 1 18 ? 37.114 -4.063 20.437 1.00 27.57 ? 359 GLN A CA 1 ATOM 141 C C . GLN A 1 18 ? 37.998 -3.710 19.272 1.00 27.62 ? 359 GLN A C 1 ATOM 142 O O . GLN A 1 18 ? 39.101 -3.196 19.442 1.00 27.71 ? 359 GLN A O 1 ATOM 143 C CB . GLN A 1 18 ? 37.300 -5.521 20.831 1.00 27.84 ? 359 GLN A CB 1 ATOM 144 C CG . GLN A 1 18 ? 37.192 -5.701 22.340 1.00 31.12 ? 359 GLN A CG 1 ATOM 145 C CD . GLN A 1 18 ? 37.024 -7.147 22.765 1.00 35.47 ? 359 GLN A CD 1 ATOM 146 O OE1 . GLN A 1 18 ? 36.867 -8.051 21.921 1.00 36.73 ? 359 GLN A OE1 1 ATOM 147 N NE2 . GLN A 1 18 ? 37.050 -7.375 24.079 1.00 36.80 ? 359 GLN A NE2 1 ATOM 148 N N . GLN A 1 19 ? 37.481 -3.997 18.080 1.00 27.55 ? 360 GLN A N 1 ATOM 149 C CA . GLN A 1 19 ? 38.202 -3.676 16.823 1.00 27.79 ? 360 GLN A CA 1 ATOM 150 C C . GLN A 1 19 ? 38.353 -2.183 16.663 1.00 27.19 ? 360 GLN A C 1 ATOM 151 O O . GLN A 1 19 ? 39.384 -1.706 16.201 1.00 27.25 ? 360 GLN A O 1 ATOM 152 C CB . GLN A 1 19 ? 37.431 -4.200 15.611 1.00 28.30 ? 360 GLN A CB 1 ATOM 153 C CG . GLN A 1 19 ? 38.279 -4.932 14.588 1.00 31.17 ? 360 GLN A CG 1 ATOM 154 C CD . GLN A 1 19 ? 37.487 -5.570 13.459 1.00 35.65 ? 360 GLN A CD 1 ATOM 155 O OE1 . GLN A 1 19 ? 36.948 -4.886 12.595 1.00 37.11 ? 360 GLN A OE1 1 ATOM 156 N NE2 . GLN A 1 19 ? 37.279 -6.857 13.285 1.00 37.31 ? 360 GLN A NE2 1 ATOM 157 N N . TRP A 1 20 ? 37.309 -1.457 17.035 1.00 26.34 ? 361 TRP A N 1 ATOM 158 C CA . TRP A 1 20 ? 37.327 -0.005 17.023 1.00 25.19 ? 361 TRP A CA 1 ATOM 159 C C . TRP A 1 20 ? 38.343 0.503 18.049 1.00 25.12 ? 361 TRP A C 1 ATOM 160 O O . TRP A 1 20 ? 39.083 1.440 17.783 1.00 24.62 ? 361 TRP A O 1 ATOM 161 C CB . TRP A 1 20 ? 35.925 0.488 17.365 1.00 24.89 ? 361 TRP A CB 1 ATOM 162 C CG . TRP A 1 20 ? 35.761 1.957 17.389 1.00 22.74 ? 361 TRP A CG 1 ATOM 163 C CD1 . TRP A 1 20 ? 36.624 2.879 16.917 1.00 20.87 ? 361 TRP A CD1 1 ATOM 164 C CD2 . TRP A 1 20 ? 34.649 2.678 17.921 1.00 20.55 ? 361 TRP A CD2 1 ATOM 165 N NE1 . TRP A 1 20 ? 36.124 4.140 17.124 1.00 20.24 ? 361 TRP A NE1 1 ATOM 166 C CE2 . TRP A 1 20 ? 34.909 4.042 17.739 1.00 19.38 ? 361 TRP A CE2 1 ATOM 167 C CE3 . TRP A 1 20 ? 33.455 2.303 18.542 1.00 21.28 ? 361 TRP A CE3 1 ATOM 168 C CZ2 . TRP A 1 20 ? 34.030 5.037 18.149 1.00 19.87 ? 361 TRP A CZ2 1 ATOM 169 C CZ3 . TRP A 1 20 ? 32.581 3.292 18.961 1.00 22.42 ? 361 TRP A CZ3 1 ATOM 170 C CH2 . TRP A 1 20 ? 32.876 4.651 18.759 1.00 20.86 ? 361 TRP A CH2 1 ATOM 171 N N . SER A 1 21 ? 38.382 -0.142 19.212 1.00 25.28 ? 362 SER A N 1 ATOM 172 C CA . SER A 1 21 ? 39.282 0.242 20.298 1.00 26.07 ? 362 SER A CA 1 ATOM 173 C C . SER A 1 21 ? 40.754 0.170 19.903 1.00 26.81 ? 362 SER A C 1 ATOM 174 O O . SER A 1 21 ? 41.503 1.137 20.060 1.00 26.93 ? 362 SER A O 1 ATOM 175 C CB . SER A 1 21 ? 39.034 -0.651 21.510 1.00 26.17 ? 362 SER A CB 1 ATOM 176 O OG . SER A 1 21 ? 39.616 -0.117 22.687 1.00 25.41 ? 362 SER A OG 1 ATOM 177 N N . GLN A 1 22 ? 41.159 -0.991 19.405 1.00 27.56 ? 363 GLN A N 1 ATOM 178 C CA . GLN A 1 22 ? 42.512 -1.209 18.916 1.00 28.48 ? 363 GLN A CA 1 ATOM 179 C C . GLN A 1 22 ? 42.927 -0.089 17.975 1.00 28.39 ? 363 GLN A C 1 ATOM 180 O O . GLN A 1 22 ? 43.973 0.498 18.143 1.00 28.23 ? 363 GLN A O 1 ATOM 181 C CB . GLN A 1 22 ? 42.572 -2.557 18.202 1.00 28.73 ? 363 GLN A CB 1 ATOM 182 C CG . GLN A 1 22 ? 43.935 -2.961 17.709 1.00 31.38 ? 363 GLN A CG 1 ATOM 183 C CD . GLN A 1 22 ? 44.124 -4.472 17.728 1.00 34.84 ? 363 GLN A CD 1 ATOM 184 O OE1 . GLN A 1 22 ? 43.744 -5.138 18.707 1.00 36.83 ? 363 GLN A OE1 1 ATOM 185 N NE2 . GLN A 1 22 ? 44.712 -5.019 16.658 1.00 35.62 ? 363 GLN A NE2 1 ATOM 186 N N . GLN A 1 23 ? 42.087 0.209 16.994 1.00 29.12 ? 364 GLN A N 1 ATOM 187 C CA . GLN A 1 23 ? 42.355 1.277 16.032 1.00 30.20 ? 364 GLN A CA 1 ATOM 188 C C . GLN A 1 23 ? 42.325 2.666 16.649 1.00 30.47 ? 364 GLN A C 1 ATOM 189 O O . GLN A 1 23 ? 42.774 3.627 16.037 1.00 30.72 ? 364 GLN A O 1 ATOM 190 C CB . GLN A 1 23 ? 41.330 1.257 14.892 1.00 30.26 ? 364 GLN A CB 1 ATOM 191 C CG . GLN A 1 23 ? 41.405 0.051 14.016 1.00 32.58 ? 364 GLN A CG 1 ATOM 192 C CD . GLN A 1 23 ? 42.789 -0.131 13.469 1.00 35.90 ? 364 GLN A CD 1 ATOM 193 O OE1 . GLN A 1 23 ? 43.385 0.823 12.972 1.00 39.33 ? 364 GLN A OE1 1 ATOM 194 N NE2 . GLN A 1 23 ? 43.317 -1.339 13.568 1.00 36.46 ? 364 GLN A NE2 1 ATOM 195 N N . SER A 1 24 ? 41.777 2.790 17.844 1.00 30.91 ? 365 SER A N 1 ATOM 196 C CA . SER A 1 24 ? 41.668 4.101 18.458 1.00 31.48 ? 365 SER A CA 1 ATOM 197 C C . SER A 1 24 ? 42.789 4.359 19.446 1.00 31.82 ? 365 SER A C 1 ATOM 198 O O . SER A 1 24 ? 42.830 5.407 20.082 1.00 31.71 ? 365 SER A O 1 ATOM 199 C CB . SER A 1 24 ? 40.333 4.215 19.187 1.00 31.61 ? 365 SER A CB 1 ATOM 200 O OG . SER A 1 24 ? 40.329 3.384 20.338 1.00 31.82 ? 365 SER A OG 1 ATOM 201 N N . GLY A 1 25 ? 43.688 3.395 19.588 1.00 32.38 ? 366 GLY A N 1 ATOM 202 C CA . GLY A 1 25 ? 44.754 3.502 20.565 1.00 33.04 ? 366 GLY A CA 1 ATOM 203 C C . GLY A 1 25 ? 44.154 3.749 21.937 1.00 33.69 ? 366 GLY A C 1 ATOM 204 O O . GLY A 1 25 ? 44.610 4.603 22.699 1.00 33.65 ? 366 GLY A O 1 ATOM 205 N N . GLN A 1 26 ? 43.107 2.996 22.247 1.00 34.23 ? 367 GLN A N 1 ATOM 206 C CA . GLN A 1 26 ? 42.420 3.131 23.516 1.00 34.60 ? 367 GLN A CA 1 ATOM 207 C C . GLN A 1 26 ? 41.838 4.510 23.740 1.00 34.23 ? 367 GLN A C 1 ATOM 208 O O . GLN A 1 26 ? 41.650 4.925 24.878 1.00 34.55 ? 367 GLN A O 1 ATOM 209 C CB . GLN A 1 26 ? 43.336 2.776 24.677 1.00 35.11 ? 367 GLN A CB 1 ATOM 210 C CG . GLN A 1 26 ? 43.165 1.373 25.173 1.00 37.98 ? 367 GLN A CG 1 ATOM 211 C CD . GLN A 1 26 ? 43.389 0.371 24.086 1.00 41.63 ? 367 GLN A CD 1 ATOM 212 O OE1 . GLN A 1 26 ? 44.515 0.202 23.624 1.00 43.46 ? 367 GLN A OE1 1 ATOM 213 N NE2 . GLN A 1 26 ? 42.322 -0.297 23.659 1.00 43.86 ? 367 GLN A NE2 1 ATOM 214 N N . ASN A 1 27 ? 41.537 5.256 22.685 1.00 33.77 ? 368 ASN A N 1 ATOM 215 C CA . ASN A 1 27 ? 40.843 6.491 22.931 1.00 33.50 ? 368 ASN A CA 1 ATOM 216 C C . ASN A 1 27 ? 39.415 6.080 23.276 1.00 32.04 ? 368 ASN A C 1 ATOM 217 O O . ASN A 1 27 ? 38.706 6.786 23.991 1.00 31.90 ? 368 ASN A O 1 ATOM 218 C CB . ASN A 1 27 ? 40.932 7.456 21.764 1.00 34.24 ? 368 ASN A CB 1 ATOM 219 C CG . ASN A 1 27 ? 42.029 8.467 22.034 1.00 37.28 ? 368 ASN A CG 1 ATOM 220 O OD1 . ASN A 1 27 ? 42.023 9.138 23.074 1.00 40.25 ? 368 ASN A OD1 1 ATOM 221 N ND2 . ASN A 1 27 ? 42.990 8.570 21.112 1.00 41.79 ? 368 ASN A ND2 1 ATOM 222 N N . VAL A 1 28 ? 39.013 4.910 22.738 1.00 30.81 ? 369 VAL A N 1 ATOM 223 C CA . VAL A 1 28 ? 37.694 4.360 23.017 1.00 29.06 ? 369 VAL A CA 1 ATOM 224 C C . VAL A 1 28 ? 37.839 2.957 23.512 1.00 27.73 ? 369 VAL A C 1 ATOM 225 O O . VAL A 1 28 ? 38.682 2.210 23.037 1.00 27.07 ? 369 VAL A O 1 ATOM 226 C CB . VAL A 1 28 ? 36.810 4.298 21.782 1.00 29.20 ? 369 VAL A CB 1 ATOM 227 C CG1 . VAL A 1 28 ? 35.738 3.242 21.978 1.00 28.67 ? 369 VAL A CG1 1 ATOM 228 C CG2 . VAL A 1 28 ? 36.188 5.659 21.518 1.00 29.09 ? 369 VAL A CG2 1 ATOM 229 N N . THR A 1 29 ? 36.972 2.599 24.445 1.00 26.64 ? 370 THR A N 1 ATOM 230 C CA . THR A 1 29 ? 37.039 1.308 25.115 1.00 25.48 ? 370 THR A CA 1 ATOM 231 C C . THR A 1 29 ? 35.643 0.687 25.266 1.00 24.38 ? 370 THR A C 1 ATOM 232 O O . THR A 1 29 ? 34.642 1.355 25.057 1.00 24.65 ? 370 THR A O 1 ATOM 233 C CB . THR A 1 29 ? 37.785 1.518 26.421 1.00 25.43 ? 370 THR A CB 1 ATOM 234 O OG1 . THR A 1 29 ? 39.154 1.154 26.215 1.00 25.11 ? 370 THR A OG1 1 ATOM 235 C CG2 . THR A 1 29 ? 37.314 0.579 27.503 1.00 27.03 ? 370 THR A CG2 1 ATOM 236 N N . CYS A 1 30 ? 35.556 -0.586 25.610 1.00 23.27 ? 371 CYS A N 1 ATOM 237 C CA . CYS A 1 30 ? 34.269 -1.264 25.527 1.00 22.24 ? 371 CYS A CA 1 ATOM 238 C C . CYS A 1 30 ? 33.779 -1.942 26.776 1.00 21.85 ? 371 CYS A C 1 ATOM 239 O O . CYS A 1 30 ? 34.557 -2.516 27.506 1.00 21.70 ? 371 CYS A O 1 ATOM 240 C CB . CYS A 1 30 ? 34.362 -2.346 24.454 1.00 22.30 ? 371 CYS A CB 1 ATOM 241 S SG . CYS A 1 30 ? 35.076 -1.784 22.908 1.00 21.51 ? 371 CYS A SG 1 ATOM 242 N N . ALA A 1 31 ? 32.471 -1.882 26.989 1.00 21.77 ? 372 ALA A N 1 ATOM 243 C CA . ALA A 1 31 ? 31.786 -2.640 28.029 1.00 21.81 ? 372 ALA A CA 1 ATOM 244 C C . ALA A 1 31 ? 30.702 -3.453 27.314 1.00 22.14 ? 372 ALA A C 1 ATOM 245 O O . ALA A 1 31 ? 30.118 -2.986 26.336 1.00 22.20 ? 372 ALA A O 1 ATOM 246 C CB . ALA A 1 31 ? 31.173 -1.728 29.056 1.00 21.80 ? 372 ALA A CB 1 ATOM 247 N N . THR A 1 32 ? 30.431 -4.668 27.771 1.00 22.30 ? 373 THR A N 1 ATOM 248 C CA . THR A 1 32 ? 29.429 -5.467 27.087 1.00 22.45 ? 373 THR A CA 1 ATOM 249 C C . THR A 1 32 ? 28.246 -5.796 27.961 1.00 22.20 ? 373 THR A C 1 ATOM 250 O O . THR A 1 32 ? 28.380 -6.006 29.165 1.00 22.15 ? 373 THR A O 1 ATOM 251 C CB . THR A 1 32 ? 30.037 -6.764 26.515 1.00 22.80 ? 373 THR A CB 1 ATOM 252 O OG1 . THR A 1 32 ? 31.182 -6.446 25.710 1.00 24.22 ? 373 THR A OG1 1 ATOM 253 C CG2 . THR A 1 32 ? 29.077 -7.402 25.505 1.00 22.56 ? 373 THR A CG2 1 ATOM 254 N N . ALA A 1 33 ? 27.076 -5.816 27.340 1.00 22.09 ? 374 ALA A N 1 ATOM 255 C CA . ALA A 1 33 ? 25.857 -6.194 28.034 1.00 22.06 ? 374 ALA A CA 1 ATOM 256 C C . ALA A 1 33 ? 25.012 -7.101 27.142 1.00 21.82 ? 374 ALA A C 1 ATOM 257 O O . ALA A 1 33 ? 25.110 -7.049 25.921 1.00 21.60 ? 374 ALA A O 1 ATOM 258 C CB . ALA A 1 33 ? 25.069 -4.956 28.462 1.00 21.98 ? 374 ALA A CB 1 ATOM 259 N N . SER A 1 34 ? 24.196 -7.938 27.764 1.00 21.77 ? 375 SER A N 1 ATOM 260 C CA . SER A 1 34 ? 23.325 -8.829 27.026 1.00 21.91 ? 375 SER A CA 1 ATOM 261 C C . SER A 1 34 ? 22.096 -8.131 26.474 1.00 21.64 ? 375 SER A C 1 ATOM 262 O O . SER A 1 34 ? 21.356 -8.746 25.716 1.00 22.11 ? 375 SER A O 1 ATOM 263 C CB . SER A 1 34 ? 22.882 -10.013 27.891 1.00 22.12 ? 375 SER A CB 1 ATOM 264 O OG . SER A 1 34 ? 23.788 -11.095 27.745 1.00 23.70 ? 375 SER A OG 1 ATOM 265 N N . THR A 1 35 ? 21.836 -6.887 26.875 1.00 20.72 ? 376 THR A N 1 ATOM 266 C CA . THR A 1 35 ? 20.690 -6.159 26.322 1.00 20.07 ? 376 THR A CA 1 ATOM 267 C C . THR A 1 35 ? 20.923 -4.687 26.359 1.00 19.45 ? 376 THR A C 1 ATOM 268 O O . THR A 1 35 ? 21.855 -4.212 26.993 1.00 19.71 ? 376 THR A O 1 ATOM 269 C CB . THR A 1 35 ? 19.369 -6.429 27.068 1.00 20.25 ? 376 THR A CB 1 ATOM 270 O OG1 . THR A 1 35 ? 19.464 -5.968 28.425 1.00 20.62 ? 376 THR A OG1 1 ATOM 271 C CG2 . THR A 1 35 ? 19.107 -7.903 27.195 1.00 20.62 ? 376 THR A CG2 1 ATOM 272 N N . THR A 1 36 ? 20.046 -3.963 25.688 1.00 18.62 ? 377 THR A N 1 ATOM 273 C CA . THR A 1 36 ? 20.135 -2.527 25.659 1.00 17.76 ? 377 THR A CA 1 ATOM 274 C C . THR A 1 36 ? 19.877 -2.010 27.052 1.00 18.02 ? 377 THR A C 1 ATOM 275 O O . THR A 1 36 ? 20.586 -1.135 27.529 1.00 17.69 ? 377 THR A O 1 ATOM 276 C CB . THR A 1 36 ? 19.100 -1.975 24.715 1.00 17.36 ? 377 THR A CB 1 ATOM 277 O OG1 . THR A 1 36 ? 19.426 -2.390 23.395 1.00 15.26 ? 377 THR A OG1 1 ATOM 278 C CG2 . THR A 1 36 ? 19.216 -0.481 24.640 1.00 17.47 ? 377 THR A CG2 1 ATOM 279 N N . ASP A 1 37 ? 18.866 -2.568 27.714 1.00 18.42 ? 378 ASP A N 1 ATOM 280 C CA . ASP A 1 37 ? 18.551 -2.126 29.068 1.00 18.47 ? 378 ASP A CA 1 ATOM 281 C C . ASP A 1 37 ? 19.760 -2.169 29.999 1.00 18.34 ? 378 ASP A C 1 ATOM 282 O O . ASP A 1 37 ? 20.087 -1.147 30.600 1.00 18.77 ? 378 ASP A O 1 ATOM 283 C CB . ASP A 1 37 ? 17.341 -2.843 29.670 1.00 18.75 ? 378 ASP A CB 1 ATOM 284 C CG . ASP A 1 37 ? 16.025 -2.324 29.127 1.00 20.18 ? 378 ASP A CG 1 ATOM 285 O OD1 . ASP A 1 37 ? 15.978 -1.150 28.723 1.00 22.06 ? 378 ASP A OD1 1 ATOM 286 O OD2 . ASP A 1 37 ? 14.986 -3.013 29.065 1.00 23.49 ? 378 ASP A OD2 1 ATOM 287 N N . ASP A 1 38 ? 20.448 -3.302 30.111 1.00 17.59 ? 379 ASP A N 1 ATOM 288 C CA . ASP A 1 38 ? 21.622 -3.321 30.980 1.00 17.28 ? 379 ASP A CA 1 ATOM 289 C C . ASP A 1 38 ? 22.647 -2.293 30.497 1.00 16.98 ? 379 ASP A C 1 ATOM 290 O O . ASP A 1 38 ? 23.303 -1.622 31.294 1.00 17.32 ? 379 ASP A O 1 ATOM 291 C CB . ASP A 1 38 ? 22.237 -4.718 31.084 1.00 17.25 ? 379 ASP A CB 1 ATOM 292 C CG . ASP A 1 38 ? 21.222 -5.769 31.484 1.00 18.66 ? 379 ASP A CG 1 ATOM 293 O OD1 . ASP A 1 38 ? 20.590 -5.640 32.565 1.00 20.28 ? 379 ASP A OD1 1 ATOM 294 O OD2 . ASP A 1 38 ? 20.981 -6.765 30.771 1.00 19.95 ? 379 ASP A OD2 1 ATOM 295 N N . CYS A 1 39 ? 22.777 -2.132 29.190 1.00 16.67 ? 380 CYS A N 1 ATOM 296 C CA . CYS A 1 39 ? 23.705 -1.120 28.704 1.00 16.41 ? 380 CYS A CA 1 ATOM 297 C C . CYS A 1 39 ? 23.379 0.258 29.275 1.00 16.34 ? 380 CYS A C 1 ATOM 298 O O . CYS A 1 39 ? 24.278 0.988 29.672 1.00 17.16 ? 380 CYS A O 1 ATOM 299 C CB . CYS A 1 39 ? 23.740 -1.084 27.185 1.00 16.20 ? 380 CYS A CB 1 ATOM 300 S SG . CYS A 1 39 ? 25.140 -1.974 26.513 1.00 15.18 ? 380 CYS A SG 1 ATOM 301 N N . ILE A 1 40 ? 22.092 0.590 29.330 1.00 15.98 ? 381 ILE A N 1 ATOM 302 C CA . ILE A 1 40 ? 21.650 1.857 29.872 1.00 15.71 ? 381 ILE A CA 1 ATOM 303 C C . ILE A 1 40 ? 22.009 1.938 31.345 1.00 15.78 ? 381 ILE A C 1 ATOM 304 O O . ILE A 1 40 ? 22.561 2.937 31.808 1.00 16.41 ? 381 ILE A O 1 ATOM 305 C CB . ILE A 1 40 ? 20.148 2.065 29.641 1.00 15.84 ? 381 ILE A CB 1 ATOM 306 C CG1 . ILE A 1 40 ? 19.881 2.323 28.149 1.00 15.39 ? 381 ILE A CG1 1 ATOM 307 C CG2 . ILE A 1 40 ? 19.647 3.282 30.423 1.00 16.06 ? 381 ILE A CG2 1 ATOM 308 C CD1 . ILE A 1 40 ? 18.423 2.359 27.787 1.00 12.96 ? 381 ILE A CD1 1 ATOM 309 N N . VAL A 1 41 ? 21.704 0.877 32.075 1.00 15.61 ? 382 VAL A N 1 ATOM 310 C CA . VAL A 1 41 ? 22.074 0.788 33.476 1.00 14.65 ? 382 VAL A CA 1 ATOM 311 C C . VAL A 1 41 ? 23.563 1.034 33.618 1.00 14.84 ? 382 VAL A C 1 ATOM 312 O O . VAL A 1 41 ? 23.955 1.876 34.417 1.00 15.27 ? 382 VAL A O 1 ATOM 313 C CB . VAL A 1 41 ? 21.687 -0.575 34.077 1.00 14.05 ? 382 VAL A CB 1 ATOM 314 C CG1 . VAL A 1 41 ? 22.340 -0.783 35.424 1.00 12.07 ? 382 VAL A CG1 1 ATOM 315 C CG2 . VAL A 1 41 ? 20.200 -0.638 34.208 1.00 14.11 ? 382 VAL A CG2 1 ATOM 316 N N . LEU A 1 42 ? 24.393 0.331 32.841 1.00 14.50 ? 383 LEU A N 1 ATOM 317 C CA . LEU A 1 42 ? 25.839 0.501 32.993 1.00 14.33 ? 383 LEU A CA 1 ATOM 318 C C . LEU A 1 42 ? 26.158 1.974 32.843 1.00 14.69 ? 383 LEU A C 1 ATOM 319 O O . LEU A 1 42 ? 27.084 2.497 33.472 1.00 15.17 ? 383 LEU A O 1 ATOM 320 C CB . LEU A 1 42 ? 26.662 -0.328 31.999 1.00 13.39 ? 383 LEU A CB 1 ATOM 321 C CG . LEU A 1 42 ? 26.896 -1.841 32.217 1.00 13.52 ? 383 LEU A CG 1 ATOM 322 C CD1 . LEU A 1 42 ? 27.784 -2.470 31.156 1.00 10.50 ? 383 LEU A CD1 1 ATOM 323 C CD2 . LEU A 1 42 ? 27.474 -2.184 33.597 1.00 14.05 ? 383 LEU A CD2 1 ATOM 324 N N . VAL A 1 43 ? 25.370 2.666 32.038 1.00 14.71 ? 384 VAL A N 1 ATOM 325 C CA . VAL A 1 43 ? 25.654 4.079 31.831 1.00 15.05 ? 384 VAL A CA 1 ATOM 326 C C . VAL A 1 43 ? 25.208 4.934 33.027 1.00 14.96 ? 384 VAL A C 1 ATOM 327 O O . VAL A 1 43 ? 25.891 5.876 33.416 1.00 14.58 ? 384 VAL A O 1 ATOM 328 C CB . VAL A 1 43 ? 25.104 4.617 30.494 1.00 15.03 ? 384 VAL A CB 1 ATOM 329 C CG1 . VAL A 1 43 ? 25.461 6.101 30.322 1.00 14.30 ? 384 VAL A CG1 1 ATOM 330 C CG2 . VAL A 1 43 ? 25.668 3.810 29.347 1.00 14.17 ? 384 VAL A CG2 1 ATOM 331 N N . LEU A 1 44 ? 24.070 4.604 33.609 1.00 15.09 ? 385 LEU A N 1 ATOM 332 C CA . LEU A 1 44 ? 23.647 5.312 34.809 1.00 15.68 ? 385 LEU A CA 1 ATOM 333 C C . LEU A 1 44 ? 24.726 5.155 35.857 1.00 16.57 ? 385 LEU A C 1 ATOM 334 O O . LEU A 1 44 ? 25.124 6.120 36.495 1.00 17.92 ? 385 LEU A O 1 ATOM 335 C CB . LEU A 1 44 ? 22.334 4.752 35.365 1.00 15.17 ? 385 LEU A CB 1 ATOM 336 C CG . LEU A 1 44 ? 21.116 4.835 34.447 1.00 14.59 ? 385 LEU A CG 1 ATOM 337 C CD1 . LEU A 1 44 ? 19.889 4.210 35.070 1.00 13.37 ? 385 LEU A CD1 1 ATOM 338 C CD2 . LEU A 1 44 ? 20.854 6.277 34.087 1.00 13.74 ? 385 LEU A CD2 1 ATOM 339 N N . LYS A 1 45 ? 25.209 3.930 36.031 1.00 17.24 ? 386 LYS A N 1 ATOM 340 C CA . LYS A 1 45 ? 26.189 3.623 37.064 1.00 16.98 ? 386 LYS A CA 1 ATOM 341 C C . LYS A 1 45 ? 27.461 4.382 36.799 1.00 16.97 ? 386 LYS A C 1 ATOM 342 O O . LYS A 1 45 ? 28.201 4.683 37.720 1.00 17.40 ? 386 LYS A O 1 ATOM 343 C CB . LYS A 1 45 ? 26.499 2.109 37.126 1.00 16.93 ? 386 LYS A CB 1 ATOM 344 C CG . LYS A 1 45 ? 25.473 1.239 37.865 1.00 17.79 ? 386 LYS A CG 1 ATOM 345 C CD . LYS A 1 45 ? 26.042 -0.162 38.262 1.00 19.24 ? 386 LYS A CD 1 ATOM 346 C CE . LYS A 1 45 ? 26.564 -0.960 37.063 1.00 20.12 ? 386 LYS A CE 1 ATOM 347 N NZ . LYS A 1 45 ? 27.457 -2.127 37.395 1.00 18.86 ? 386 LYS A NZ 1 ATOM 348 N N . GLY A 1 46 ? 27.737 4.674 35.536 1.00 17.07 ? 387 GLY A N 1 ATOM 349 C CA . GLY A 1 46 ? 28.972 5.353 35.208 1.00 17.23 ? 387 GLY A CA 1 ATOM 350 C C . GLY A 1 46 ? 30.029 4.381 34.725 1.00 17.60 ? 387 GLY A C 1 ATOM 351 O O . GLY A 1 46 ? 31.130 4.787 34.364 1.00 18.02 ? 387 GLY A O 1 ATOM 352 N N . GLU A 1 47 ? 29.710 3.091 34.692 1.00 17.93 ? 388 GLU A N 1 ATOM 353 C CA . GLU A 1 47 ? 30.689 2.100 34.209 1.00 18.34 ? 388 GLU A CA 1 ATOM 354 C C . GLU A 1 47 ? 30.921 2.135 32.673 1.00 18.01 ? 388 GLU A C 1 ATOM 355 O O . GLU A 1 47 ? 31.900 1.587 32.187 1.00 17.71 ? 388 GLU A O 1 ATOM 356 C CB . GLU A 1 47 ? 30.361 0.690 34.732 1.00 18.43 ? 388 GLU A CB 1 ATOM 357 C CG . GLU A 1 47 ? 30.784 0.464 36.177 1.00 19.34 ? 388 GLU A CG 1 ATOM 358 C CD . GLU A 1 47 ? 29.824 -0.435 36.927 1.00 21.71 ? 388 GLU A CD 1 ATOM 359 O OE1 . GLU A 1 47 ? 29.217 0.027 37.928 1.00 21.74 ? 388 GLU A OE1 1 ATOM 360 O OE2 . GLU A 1 47 ? 29.655 -1.607 36.508 1.00 22.36 ? 388 GLU A OE2 1 ATOM 361 N N . ALA A 1 48 ? 30.027 2.794 31.935 1.00 17.64 ? 389 ALA A N 1 ATOM 362 C CA . ALA A 1 48 ? 30.175 2.992 30.487 1.00 17.50 ? 389 ALA A CA 1 ATOM 363 C C . ALA A 1 48 ? 29.737 4.421 30.177 1.00 17.68 ? 389 ALA A C 1 ATOM 364 O O . ALA A 1 48 ? 28.990 5.006 30.959 1.00 17.73 ? 389 ALA A O 1 ATOM 365 C CB . ALA A 1 48 ? 29.330 2.013 29.719 1.00 17.36 ? 389 ALA A CB 1 ATOM 366 N N . ASP A 1 49 ? 30.168 4.993 29.050 1.00 17.23 ? 390 ASP A N 1 ATOM 367 C CA . ASP A 1 49 ? 29.808 6.389 28.766 1.00 17.03 ? 390 ASP A CA 1 ATOM 368 C C . ASP A 1 49 ? 28.655 6.627 27.797 1.00 17.08 ? 390 ASP A C 1 ATOM 369 O O . ASP A 1 49 ? 27.914 7.596 27.953 1.00 18.03 ? 390 ASP A O 1 ATOM 370 C CB . ASP A 1 49 ? 31.009 7.178 28.241 1.00 16.91 ? 390 ASP A CB 1 ATOM 371 C CG . ASP A 1 49 ? 32.063 7.380 29.282 1.00 17.29 ? 390 ASP A CG 1 ATOM 372 O OD1 . ASP A 1 49 ? 31.806 8.084 30.275 1.00 17.68 ? 390 ASP A OD1 1 ATOM 373 O OD2 . ASP A 1 49 ? 33.185 6.853 29.202 1.00 18.94 ? 390 ASP A OD2 1 ATOM 374 N N . ALA A 1 50 ? 28.524 5.795 26.770 1.00 16.62 ? 391 ALA A N 1 ATOM 375 C CA . ALA A 1 50 ? 27.549 6.072 25.724 1.00 15.98 ? 391 ALA A CA 1 ATOM 376 C C . ALA A 1 50 ? 27.172 4.850 24.924 1.00 15.68 ? 391 ALA A C 1 ATOM 377 O O . ALA A 1 50 ? 27.843 3.831 25.007 1.00 15.79 ? 391 ALA A O 1 ATOM 378 C CB . ALA A 1 50 ? 28.124 7.114 24.771 1.00 16.05 ? 391 ALA A CB 1 ATOM 379 N N . LEU A 1 51 ? 26.076 4.970 24.178 1.00 15.27 ? 392 LEU A N 1 ATOM 380 C CA . LEU A 1 51 ? 25.675 4.019 23.144 1.00 15.60 ? 392 LEU A CA 1 ATOM 381 C C . LEU A 1 51 ? 24.758 4.734 22.170 1.00 16.22 ? 392 LEU A C 1 ATOM 382 O O . LEU A 1 51 ? 24.300 5.849 22.424 1.00 16.92 ? 392 LEU A O 1 ATOM 383 C CB . LEU A 1 51 ? 24.984 2.770 23.685 1.00 15.45 ? 392 LEU A CB 1 ATOM 384 C CG . LEU A 1 51 ? 23.737 2.835 24.580 1.00 15.91 ? 392 LEU A CG 1 ATOM 385 C CD1 . LEU A 1 51 ? 23.032 1.464 24.681 1.00 14.75 ? 392 LEU A CD1 1 ATOM 386 C CD2 . LEU A 1 51 ? 24.101 3.338 25.968 1.00 14.84 ? 392 LEU A CD2 1 ATOM 387 N N . ASN A 1 52 ? 24.490 4.088 21.048 1.00 16.77 ? 393 ASN A N 1 ATOM 388 C CA . ASN A 1 52 ? 23.638 4.637 20.014 1.00 16.71 ? 393 ASN A CA 1 ATOM 389 C C . ASN A 1 52 ? 22.298 3.941 20.148 1.00 17.02 ? 393 ASN A C 1 ATOM 390 O O . ASN A 1 52 ? 22.245 2.730 20.239 1.00 17.21 ? 393 ASN A O 1 ATOM 391 C CB . ASN A 1 52 ? 24.283 4.335 18.689 1.00 16.52 ? 393 ASN A CB 1 ATOM 392 C CG . ASN A 1 52 ? 23.416 4.674 17.541 1.00 16.66 ? 393 ASN A CG 1 ATOM 393 O OD1 . ASN A 1 52 ? 22.979 5.813 17.389 1.00 15.56 ? 393 ASN A OD1 1 ATOM 394 N ND2 . ASN A 1 52 ? 23.156 3.677 16.694 1.00 18.26 ? 393 ASN A ND2 1 ATOM 395 N N . LEU A 1 53 ? 21.208 4.694 20.180 1.00 17.61 ? 394 LEU A N 1 ATOM 396 C CA . LEU A 1 53 ? 19.919 4.082 20.506 1.00 17.65 ? 394 LEU A CA 1 ATOM 397 C C . LEU A 1 53 ? 18.805 4.421 19.565 1.00 17.58 ? 394 LEU A C 1 ATOM 398 O O . LEU A 1 53 ? 18.765 5.506 19.000 1.00 17.25 ? 394 LEU A O 1 ATOM 399 C CB . LEU A 1 53 ? 19.454 4.536 21.888 1.00 17.61 ? 394 LEU A CB 1 ATOM 400 C CG . LEU A 1 53 ? 20.267 4.101 23.087 1.00 17.95 ? 394 LEU A CG 1 ATOM 401 C CD1 . LEU A 1 53 ? 19.708 4.784 24.306 1.00 19.55 ? 394 LEU A CD1 1 ATOM 402 C CD2 . LEU A 1 53 ? 20.163 2.599 23.227 1.00 18.97 ? 394 LEU A CD2 1 ATOM 403 N N . ASP A 1 54 ? 17.879 3.479 19.454 1.00 17.66 ? 395 ASP A N 1 ATOM 404 C CA . ASP A 1 54 ? 16.661 3.665 18.710 1.00 17.67 ? 395 ASP A CA 1 ATOM 405 C C . ASP A 1 54 ? 15.799 4.562 19.583 1.00 18.36 ? 395 ASP A C 1 ATOM 406 O O . ASP A 1 54 ? 15.994 4.630 20.803 1.00 18.48 ? 395 ASP A O 1 ATOM 407 C CB . ASP A 1 54 ? 15.988 2.325 18.500 1.00 17.19 ? 395 ASP A CB 1 ATOM 408 C CG . ASP A 1 54 ? 14.563 2.464 18.141 1.00 16.04 ? 395 ASP A CG 1 ATOM 409 O OD1 . ASP A 1 54 ? 14.276 2.606 16.940 1.00 15.19 ? 395 ASP A OD1 1 ATOM 410 O OD2 . ASP A 1 54 ? 13.662 2.453 18.998 1.00 14.65 ? 395 ASP A OD2 1 ATOM 411 N N . GLY A 1 55 ? 14.863 5.271 18.963 1.00 18.81 ? 396 GLY A N 1 ATOM 412 C CA . GLY A 1 55 ? 14.007 6.190 19.690 1.00 19.08 ? 396 GLY A CA 1 ATOM 413 C C . GLY A 1 55 ? 13.349 5.587 20.911 1.00 19.34 ? 396 GLY A C 1 ATOM 414 O O . GLY A 1 55 ? 13.367 6.186 21.975 1.00 19.58 ? 396 GLY A O 1 ATOM 415 N N . GLY A 1 56 ? 12.773 4.400 20.758 1.00 19.72 ? 397 GLY A N 1 ATOM 416 C CA . GLY A 1 56 ? 12.063 3.741 21.842 1.00 19.95 ? 397 GLY A CA 1 ATOM 417 C C . GLY A 1 56 ? 12.865 3.632 23.121 1.00 20.26 ? 397 GLY A C 1 ATOM 418 O O . GLY A 1 56 ? 12.348 3.803 24.229 1.00 20.63 ? 397 GLY A O 1 ATOM 419 N N . TYR A 1 57 ? 14.148 3.357 22.961 1.00 20.55 ? 398 TYR A N 1 ATOM 420 C CA . TYR A 1 57 ? 15.033 3.137 24.082 1.00 20.63 ? 398 TYR A CA 1 ATOM 421 C C . TYR A 1 57 ? 15.449 4.472 24.689 1.00 20.99 ? 398 TYR A C 1 ATOM 422 O O . TYR A 1 57 ? 15.566 4.585 25.911 1.00 21.64 ? 398 TYR A O 1 ATOM 423 C CB . TYR A 1 57 ? 16.245 2.318 23.635 1.00 20.56 ? 398 TYR A CB 1 ATOM 424 C CG . TYR A 1 57 ? 15.984 0.832 23.418 1.00 21.18 ? 398 TYR A CG 1 ATOM 425 C CD1 . TYR A 1 57 ? 15.052 0.147 24.183 1.00 21.82 ? 398 TYR A CD1 1 ATOM 426 C CD2 . TYR A 1 57 ? 16.701 0.105 22.462 1.00 22.36 ? 398 TYR A CD2 1 ATOM 427 C CE1 . TYR A 1 57 ? 14.829 -1.222 24.001 1.00 22.37 ? 398 TYR A CE1 1 ATOM 428 C CE2 . TYR A 1 57 ? 16.479 -1.263 22.267 1.00 22.74 ? 398 TYR A CE2 1 ATOM 429 C CZ . TYR A 1 57 ? 15.538 -1.918 23.040 1.00 23.23 ? 398 TYR A CZ 1 ATOM 430 O OH . TYR A 1 57 ? 15.307 -3.274 22.853 1.00 24.36 ? 398 TYR A OH 1 ATOM 431 N N . ILE A 1 58 ? 15.656 5.483 23.841 1.00 21.08 ? 399 ILE A N 1 ATOM 432 C CA . ILE A 1 58 ? 15.994 6.828 24.295 1.00 20.77 ? 399 ILE A CA 1 ATOM 433 C C . ILE A 1 58 ? 14.944 7.293 25.271 1.00 21.38 ? 399 ILE A C 1 ATOM 434 O O . ILE A 1 58 ? 15.255 7.909 26.279 1.00 21.88 ? 399 ILE A O 1 ATOM 435 C CB . ILE A 1 58 ? 15.988 7.832 23.132 1.00 20.97 ? 399 ILE A CB 1 ATOM 436 C CG1 . ILE A 1 58 ? 17.159 7.612 22.167 1.00 19.94 ? 399 ILE A CG1 1 ATOM 437 C CG2 . ILE A 1 58 ? 16.021 9.276 23.665 1.00 20.70 ? 399 ILE A CG2 1 ATOM 438 C CD1 . ILE A 1 58 ? 17.448 8.844 21.314 1.00 15.85 ? 399 ILE A CD1 1 ATOM 439 N N . TYR A 1 59 ? 13.683 7.015 24.961 1.00 21.88 ? 400 TYR A N 1 ATOM 440 C CA . TYR A 1 59 ? 12.586 7.407 25.834 1.00 22.19 ? 400 TYR A CA 1 ATOM 441 C C . TYR A 1 59 ? 12.864 6.912 27.226 1.00 22.24 ? 400 TYR A C 1 ATOM 442 O O . TYR A 1 59 ? 12.731 7.642 28.205 1.00 22.97 ? 400 TYR A O 1 ATOM 443 C CB . TYR A 1 59 ? 11.281 6.800 25.348 1.00 22.16 ? 400 TYR A CB 1 ATOM 444 C CG . TYR A 1 59 ? 10.077 7.118 26.210 1.00 23.08 ? 400 TYR A CG 1 ATOM 445 C CD1 . TYR A 1 59 ? 9.428 8.346 26.112 1.00 22.66 ? 400 TYR A CD1 1 ATOM 446 C CD2 . TYR A 1 59 ? 9.570 6.175 27.107 1.00 23.60 ? 400 TYR A CD2 1 ATOM 447 C CE1 . TYR A 1 59 ? 8.321 8.629 26.887 1.00 23.31 ? 400 TYR A CE1 1 ATOM 448 C CE2 . TYR A 1 59 ? 8.458 6.451 27.891 1.00 23.71 ? 400 TYR A CE2 1 ATOM 449 C CZ . TYR A 1 59 ? 7.837 7.680 27.774 1.00 24.26 ? 400 TYR A CZ 1 ATOM 450 O OH . TYR A 1 59 ? 6.733 7.953 28.555 1.00 25.60 ? 400 TYR A OH 1 ATOM 451 N N . THR A 1 60 ? 13.252 5.651 27.303 1.00 22.28 ? 401 THR A N 1 ATOM 452 C CA . THR A 1 60 ? 13.560 5.007 28.566 1.00 21.99 ? 401 THR A CA 1 ATOM 453 C C . THR A 1 60 ? 14.713 5.723 29.232 1.00 21.82 ? 401 THR A C 1 ATOM 454 O O . THR A 1 60 ? 14.649 6.106 30.404 1.00 21.49 ? 401 THR A O 1 ATOM 455 C CB . THR A 1 60 ? 13.990 3.585 28.287 1.00 21.89 ? 401 THR A CB 1 ATOM 456 O OG1 . THR A 1 60 ? 12.828 2.760 28.113 1.00 22.82 ? 401 THR A OG1 1 ATOM 457 C CG2 . THR A 1 60 ? 14.672 3.009 29.506 1.00 21.97 ? 401 THR A CG2 1 ATOM 458 N N . ALA A 1 61 ? 15.773 5.905 28.453 1.00 21.30 ? 402 ALA A N 1 ATOM 459 C CA . ALA A 1 61 ? 16.992 6.506 28.949 1.00 20.70 ? 402 ALA A CA 1 ATOM 460 C C . ALA A 1 61 ? 16.745 7.887 29.530 1.00 20.43 ? 402 ALA A C 1 ATOM 461 O O . ALA A 1 61 ? 17.327 8.242 30.550 1.00 20.11 ? 402 ALA A O 1 ATOM 462 C CB . ALA A 1 61 ? 18.009 6.576 27.831 1.00 20.69 ? 402 ALA A CB 1 ATOM 463 N N . GLY A 1 62 ? 15.879 8.644 28.862 1.00 20.43 ? 403 GLY A N 1 ATOM 464 C CA . GLY A 1 62 ? 15.563 10.009 29.218 1.00 20.76 ? 403 GLY A CA 1 ATOM 465 C C . GLY A 1 62 ? 14.848 10.149 30.537 1.00 21.57 ? 403 GLY A C 1 ATOM 466 O O . GLY A 1 62 ? 15.016 11.140 31.222 1.00 22.07 ? 403 GLY A O 1 ATOM 467 N N . LYS A 1 63 ? 14.035 9.172 30.905 1.00 22.06 ? 404 LYS A N 1 ATOM 468 C CA . LYS A 1 63 ? 13.425 9.252 32.214 1.00 22.20 ? 404 LYS A CA 1 ATOM 469 C C . LYS A 1 63 ? 14.534 9.118 33.239 1.00 22.51 ? 404 LYS A C 1 ATOM 470 O O . LYS A 1 63 ? 14.524 9.778 34.257 1.00 22.91 ? 404 LYS A O 1 ATOM 471 C CB . LYS A 1 63 ? 12.354 8.198 32.373 1.00 22.37 ? 404 LYS A CB 1 ATOM 472 C CG . LYS A 1 63 ? 11.282 8.332 31.320 1.00 22.57 ? 404 LYS A CG 1 ATOM 473 C CD . LYS A 1 63 ? 9.917 8.384 31.937 1.00 24.68 ? 404 LYS A CD 1 ATOM 474 C CE . LYS A 1 63 ? 9.063 9.398 31.201 1.00 27.55 ? 404 LYS A CE 1 ATOM 475 N NZ . LYS A 1 63 ? 7.891 9.841 32.008 1.00 30.25 ? 404 LYS A NZ 1 ATOM 476 N N . CYS A 1 64 ? 15.537 8.314 32.918 1.00 23.25 ? 405 CYS A N 1 ATOM 477 C CA . CYS A 1 64 ? 16.689 8.078 33.790 1.00 23.45 ? 405 CYS A CA 1 ATOM 478 C C . CYS A 1 64 ? 17.777 9.143 33.764 1.00 22.73 ? 405 CYS A C 1 ATOM 479 O O . CYS A 1 64 ? 18.836 8.959 34.368 1.00 22.35 ? 405 CYS A O 1 ATOM 480 C CB . CYS A 1 64 ? 17.315 6.741 33.439 1.00 23.85 ? 405 CYS A CB 1 ATOM 481 S SG . CYS A 1 64 ? 16.172 5.397 33.730 1.00 28.19 ? 405 CYS A SG 1 ATOM 482 N N . GLY A 1 65 ? 17.536 10.236 33.043 1.00 22.20 ? 406 GLY A N 1 ATOM 483 C CA . GLY A 1 65 ? 18.451 11.366 33.037 1.00 21.14 ? 406 GLY A CA 1 ATOM 484 C C . GLY A 1 65 ? 19.503 11.425 31.943 1.00 20.59 ? 406 GLY A C 1 ATOM 485 O O . GLY A 1 65 ? 20.297 12.382 31.878 1.00 20.98 ? 406 GLY A O 1 ATOM 486 N N . LEU A 1 66 ? 19.533 10.431 31.073 1.00 19.17 ? 407 LEU A N 1 ATOM 487 C CA . LEU A 1 66 ? 20.523 10.463 30.009 1.00 18.70 ? 407 LEU A CA 1 ATOM 488 C C . LEU A 1 66 ? 20.129 11.487 28.936 1.00 18.83 ? 407 LEU A C 1 ATOM 489 O O . LEU A 1 66 ? 18.991 11.947 28.891 1.00 19.03 ? 407 LEU A O 1 ATOM 490 C CB . LEU A 1 66 ? 20.742 9.066 29.429 1.00 18.26 ? 407 LEU A CB 1 ATOM 491 C CG . LEU A 1 66 ? 20.958 7.909 30.395 1.00 16.39 ? 407 LEU A CG 1 ATOM 492 C CD1 . LEU A 1 66 ? 21.303 6.852 29.470 1.00 15.01 ? 407 LEU A CD1 1 ATOM 493 C CD2 . LEU A 1 66 ? 22.095 8.104 31.397 1.00 14.62 ? 407 LEU A CD2 1 ATOM 494 N N . VAL A 1 67 ? 21.072 11.848 28.080 1.00 18.50 ? 408 VAL A N 1 ATOM 495 C CA . VAL A 1 67 ? 20.818 12.894 27.101 1.00 18.81 ? 408 VAL A CA 1 ATOM 496 C C . VAL A 1 67 ? 21.307 12.550 25.690 1.00 18.47 ? 408 VAL A C 1 ATOM 497 O O . VAL A 1 67 ? 22.371 11.961 25.507 1.00 18.17 ? 408 VAL A O 1 ATOM 498 C CB . VAL A 1 67 ? 21.468 14.240 27.539 1.00 18.54 ? 408 VAL A CB 1 ATOM 499 C CG1 . VAL A 1 67 ? 20.974 14.644 28.895 1.00 19.24 ? 408 VAL A CG1 1 ATOM 500 C CG2 . VAL A 1 67 ? 22.987 14.128 27.564 1.00 18.80 ? 408 VAL A CG2 1 ATOM 501 N N . PRO A 1 68 ? 20.515 12.910 24.690 1.00 18.14 ? 409 PRO A N 1 ATOM 502 C CA . PRO A 1 68 ? 20.941 12.700 23.317 1.00 17.88 ? 409 PRO A CA 1 ATOM 503 C C . PRO A 1 68 ? 22.110 13.655 23.065 1.00 17.59 ? 409 PRO A C 1 ATOM 504 O O . PRO A 1 68 ? 22.044 14.797 23.515 1.00 17.37 ? 409 PRO A O 1 ATOM 505 C CB . PRO A 1 68 ? 19.704 13.105 22.516 1.00 17.81 ? 409 PRO A CB 1 ATOM 506 C CG . PRO A 1 68 ? 19.011 14.077 23.402 1.00 18.05 ? 409 PRO A CG 1 ATOM 507 C CD . PRO A 1 68 ? 19.168 13.506 24.766 1.00 17.91 ? 409 PRO A CD 1 ATOM 508 N N . VAL A 1 69 ? 23.150 13.188 22.372 1.00 17.18 ? 410 VAL A N 1 ATOM 509 C CA . VAL A 1 69 ? 24.332 13.987 22.083 1.00 17.14 ? 410 VAL A CA 1 ATOM 510 C C . VAL A 1 69 ? 24.473 14.320 20.597 1.00 17.40 ? 410 VAL A C 1 ATOM 511 O O . VAL A 1 69 ? 24.526 15.461 20.216 1.00 17.97 ? 410 VAL A O 1 ATOM 512 C CB . VAL A 1 69 ? 25.582 13.231 22.473 1.00 16.75 ? 410 VAL A CB 1 ATOM 513 C CG1 . VAL A 1 69 ? 26.782 14.117 22.329 1.00 17.35 ? 410 VAL A CG1 1 ATOM 514 C CG2 . VAL A 1 69 ? 25.460 12.718 23.880 1.00 17.63 ? 410 VAL A CG2 1 ATOM 515 N N . LEU A 1 70 ? 24.568 13.293 19.773 1.00 18.01 ? 411 LEU A N 1 ATOM 516 C CA . LEU A 1 70 ? 24.696 13.417 18.340 1.00 18.23 ? 411 LEU A CA 1 ATOM 517 C C . LEU A 1 70 ? 23.711 12.424 17.746 1.00 18.78 ? 411 LEU A C 1 ATOM 518 O O . LEU A 1 70 ? 23.369 11.432 18.405 1.00 18.61 ? 411 LEU A O 1 ATOM 519 C CB . LEU A 1 70 ? 26.104 13.027 17.915 1.00 18.00 ? 411 LEU A CB 1 ATOM 520 C CG . LEU A 1 70 ? 27.208 13.954 18.402 1.00 17.70 ? 411 LEU A CG 1 ATOM 521 C CD1 . LEU A 1 70 ? 28.577 13.246 18.473 1.00 14.79 ? 411 LEU A CD1 1 ATOM 522 C CD2 . LEU A 1 70 ? 27.238 15.140 17.466 1.00 17.13 ? 411 LEU A CD2 1 ATOM 523 N N . ALA A 1 71 ? 23.261 12.686 16.516 1.00 19.31 ? 412 ALA A N 1 ATOM 524 C CA . ALA A 1 71 ? 22.315 11.804 15.843 1.00 20.16 ? 412 ALA A CA 1 ATOM 525 C C . ALA A 1 71 ? 22.883 11.167 14.589 1.00 21.03 ? 412 ALA A C 1 ATOM 526 O O . ALA A 1 71 ? 23.836 11.682 14.004 1.00 21.25 ? 412 ALA A O 1 ATOM 527 C CB . ALA A 1 71 ? 21.081 12.544 15.500 1.00 20.35 ? 412 ALA A CB 1 ATOM 528 N N . GLU A 1 72 ? 22.293 10.038 14.188 1.00 22.02 ? 413 GLU A N 1 ATOM 529 C CA . GLU A 1 72 ? 22.643 9.379 12.937 1.00 22.90 ? 413 GLU A CA 1 ATOM 530 C C . GLU A 1 72 ? 22.055 10.207 11.811 1.00 24.22 ? 413 GLU A C 1 ATOM 531 O O . GLU A 1 72 ? 20.926 10.670 11.909 1.00 23.08 ? 413 GLU A O 1 ATOM 532 C CB . GLU A 1 72 ? 22.026 7.991 12.856 1.00 22.54 ? 413 GLU A CB 1 ATOM 533 C CG . GLU A 1 72 ? 22.842 6.866 13.454 1.00 21.90 ? 413 GLU A CG 1 ATOM 534 C CD . GLU A 1 72 ? 22.139 5.522 13.333 1.00 20.73 ? 413 GLU A CD 1 ATOM 535 O OE1 . GLU A 1 72 ? 21.079 5.439 12.665 1.00 18.94 ? 413 GLU A OE1 1 ATOM 536 O OE2 . GLU A 1 72 ? 22.656 4.548 13.899 1.00 19.95 ? 413 GLU A OE2 1 ATOM 537 N N . ASN A 1 73 ? 22.823 10.405 10.746 1.00 26.56 ? 414 ASN A N 1 ATOM 538 C CA . ASN A 1 73 ? 22.314 11.126 9.602 1.00 29.28 ? 414 ASN A CA 1 ATOM 539 C C . ASN A 1 73 ? 22.627 10.310 8.383 1.00 31.48 ? 414 ASN A C 1 ATOM 540 O O . ASN A 1 73 ? 23.702 9.756 8.292 1.00 31.50 ? 414 ASN A O 1 ATOM 541 C CB . ASN A 1 73 ? 22.970 12.499 9.494 1.00 28.71 ? 414 ASN A CB 1 ATOM 542 C CG . ASN A 1 73 ? 21.957 13.617 9.389 1.00 28.63 ? 414 ASN A CG 1 ATOM 543 O OD1 . ASN A 1 73 ? 22.259 14.778 9.671 1.00 28.90 ? 414 ASN A OD1 1 ATOM 544 N ND2 . ASN A 1 73 ? 20.737 13.271 9.006 1.00 28.30 ? 414 ASN A ND2 1 ATOM 545 N N . ARG A 1 74 ? 21.682 10.232 7.431 1.00 35.08 ? 415 ARG A N 1 ATOM 546 C CA . ARG A 1 74 ? 21.931 9.506 6.200 1.00 39.04 ? 415 ARG A CA 1 ATOM 547 C C . ARG A 1 74 ? 21.677 10.448 5.043 1.00 41.61 ? 415 ARG A C 1 ATOM 548 O O . ARG A 1 74 ? 21.237 11.588 5.256 1.00 41.95 ? 415 ARG A O 1 ATOM 549 C CB . ARG A 1 74 ? 21.090 8.243 6.082 1.00 38.93 ? 415 ARG A CB 1 ATOM 550 C CG . ARG A 1 74 ? 19.663 8.416 6.579 1.00 40.77 ? 415 ARG A CG 1 ATOM 551 C CD . ARG A 1 74 ? 18.648 7.675 5.727 1.00 43.86 ? 415 ARG A CD 1 ATOM 552 N NE . ARG A 1 74 ? 17.421 8.452 5.507 1.00 46.71 ? 415 ARG A NE 1 ATOM 553 C CZ . ARG A 1 74 ? 16.664 8.946 6.495 1.00 47.92 ? 415 ARG A CZ 1 ATOM 554 N NH1 . ARG A 1 74 ? 17.005 8.734 7.772 1.00 47.72 ? 415 ARG A NH1 1 ATOM 555 N NH2 . ARG A 1 74 ? 15.574 9.646 6.202 1.00 47.98 ? 415 ARG A NH2 1 ATOM 556 N N . LYS A 1 75 ? 21.942 9.956 3.782 1.00 44.75 ? 416 LYS A N 1 ATOM 557 C CA . LYS A 1 75 ? 21.867 10.723 2.542 1.00 47.71 ? 416 LYS A CA 1 ATOM 558 C C . LYS A 1 75 ? 20.515 11.313 2.192 1.00 49.69 ? 416 LYS A C 1 ATOM 559 O O . LYS A 1 75 ? 19.451 10.838 2.613 1.00 49.65 ? 416 LYS A O 1 ATOM 560 C CB . LYS A 1 75 ? 22.357 9.843 1.393 1.00 47.62 ? 416 LYS A CB 1 ATOM 561 C CG . LYS A 1 75 ? 22.952 8.533 1.867 1.00 48.30 ? 416 LYS A CG 1 ATOM 562 C CD . LYS A 1 75 ? 23.878 7.922 0.823 1.00 49.43 ? 416 LYS A CD 1 ATOM 563 C CE . LYS A 1 75 ? 25.320 7.964 1.289 1.00 49.57 ? 416 LYS A CE 1 ATOM 564 N NZ . LYS A 1 75 ? 25.783 9.357 1.534 1.00 49.30 ? 416 LYS A NZ 1 ATOM 565 N N . SER A 1 76 ? 20.612 12.419 1.373 1.00 52.58 ? 417 SER A N 1 ATOM 566 C CA . SER A 1 76 ? 19.427 13.174 0.936 1.00 55.24 ? 417 SER A CA 1 ATOM 567 C C . SER A 1 76 ? 19.591 14.149 -0.245 1.00 57.11 ? 417 SER A C 1 ATOM 568 O O . SER A 1 76 ? 20.703 14.541 -0.627 1.00 57.44 ? 417 SER A O 1 ATOM 569 C CB . SER A 1 76 ? 18.829 13.889 2.143 1.00 55.10 ? 417 SER A CB 1 ATOM 570 O OG . SER A 1 76 ? 19.743 14.834 2.678 1.00 55.41 ? 417 SER A OG 1 ATOM 571 N N . SER A 1 77 ? 18.455 14.527 -0.815 1.00 59.35 ? 418 SER A N 1 ATOM 572 C CA . SER A 1 77 ? 18.404 15.412 -1.947 1.00 61.46 ? 418 SER A CA 1 ATOM 573 C C . SER A 1 77 ? 18.160 16.846 -1.482 1.00 62.70 ? 418 SER A C 1 ATOM 574 O O . SER A 1 77 ? 18.691 17.801 -2.061 1.00 62.91 ? 418 SER A O 1 ATOM 575 C CB . SER A 1 77 ? 17.340 14.943 -2.943 1.00 61.52 ? 418 SER A CB 1 ATOM 576 O OG . SER A 1 77 ? 16.994 13.583 -2.709 1.00 62.21 ? 418 SER A OG 1 ATOM 577 N N . LYS A 1 78 ? 17.342 16.973 -0.437 1.00 64.11 ? 419 LYS A N 1 ATOM 578 C CA . LYS A 1 78 ? 17.044 18.248 0.221 1.00 65.41 ? 419 LYS A CA 1 ATOM 579 C C . LYS A 1 78 ? 18.243 18.652 1.090 1.00 66.09 ? 419 LYS A C 1 ATOM 580 O O . LYS A 1 78 ? 19.002 17.790 1.528 1.00 66.33 ? 419 LYS A O 1 ATOM 581 C CB . LYS A 1 78 ? 15.813 18.050 1.110 1.00 65.60 ? 419 LYS A CB 1 ATOM 582 C CG . LYS A 1 78 ? 14.974 19.282 1.375 1.00 66.10 ? 419 LYS A CG 1 ATOM 583 C CD . LYS A 1 78 ? 15.612 20.180 2.400 1.00 66.52 ? 419 LYS A CD 1 ATOM 584 C CE . LYS A 1 78 ? 14.780 21.429 2.599 1.00 67.50 ? 419 LYS A CE 1 ATOM 585 N NZ . LYS A 1 78 ? 15.584 22.572 3.111 1.00 67.85 ? 419 LYS A NZ 1 ATOM 586 N N . HIS A 1 79 ? 18.434 19.948 1.321 1.00 66.96 ? 420 HIS A N 1 ATOM 587 C CA . HIS A 1 79 ? 19.491 20.419 2.224 1.00 67.82 ? 420 HIS A CA 1 ATOM 588 C C . HIS A 1 79 ? 20.913 20.213 1.716 1.00 67.67 ? 420 HIS A C 1 ATOM 589 O O . HIS A 1 79 ? 21.873 20.406 2.464 1.00 67.90 ? 420 HIS A O 1 ATOM 590 C CB . HIS A 1 79 ? 19.386 19.682 3.560 1.00 68.21 ? 420 HIS A CB 1 ATOM 591 C CG . HIS A 1 79 ? 18.239 20.120 4.413 1.00 70.33 ? 420 HIS A CG 1 ATOM 592 N ND1 . HIS A 1 79 ? 17.461 19.231 5.125 1.00 72.06 ? 420 HIS A ND1 1 ATOM 593 C CD2 . HIS A 1 79 ? 17.750 21.353 4.688 1.00 72.31 ? 420 HIS A CD2 1 ATOM 594 C CE1 . HIS A 1 79 ? 16.537 19.896 5.794 1.00 73.24 ? 420 HIS A CE1 1 ATOM 595 N NE2 . HIS A 1 79 ? 16.689 21.186 5.546 1.00 73.36 ? 420 HIS A NE2 1 ATOM 596 N N . SER A 1 80 ? 21.047 19.817 0.457 1.00 67.15 ? 421 SER A N 1 ATOM 597 C CA . SER A 1 80 ? 22.343 19.428 -0.103 1.00 66.29 ? 421 SER A CA 1 ATOM 598 C C . SER A 1 80 ? 23.531 20.306 0.302 1.00 65.39 ? 421 SER A C 1 ATOM 599 O O . SER A 1 80 ? 24.564 19.802 0.742 1.00 65.38 ? 421 SER A O 1 ATOM 600 C CB . SER A 1 80 ? 22.249 19.287 -1.627 1.00 66.46 ? 421 SER A CB 1 ATOM 601 O OG . SER A 1 80 ? 21.164 20.042 -2.142 1.00 66.68 ? 421 SER A OG 1 ATOM 602 N N . SER A 1 81 ? 23.371 21.617 0.171 1.00 64.18 ? 422 SER A N 1 ATOM 603 C CA . SER A 1 81 ? 24.449 22.556 0.467 1.00 62.79 ? 422 SER A CA 1 ATOM 604 C C . SER A 1 81 ? 25.109 22.302 1.816 1.00 61.48 ? 422 SER A C 1 ATOM 605 O O . SER A 1 81 ? 26.307 22.538 1.985 1.00 61.75 ? 422 SER A O 1 ATOM 606 C CB . SER A 1 81 ? 23.927 23.997 0.408 1.00 62.95 ? 422 SER A CB 1 ATOM 607 O OG . SER A 1 81 ? 23.138 24.203 -0.752 1.00 63.32 ? 422 SER A OG 1 ATOM 608 N N . LEU A 1 82 ? 24.324 21.812 2.768 1.00 59.31 ? 423 LEU A N 1 ATOM 609 C CA . LEU A 1 82 ? 24.811 21.605 4.124 1.00 57.00 ? 423 LEU A CA 1 ATOM 610 C C . LEU A 1 82 ? 25.675 20.378 4.353 1.00 55.06 ? 423 LEU A C 1 ATOM 611 O O . LEU A 1 82 ? 25.397 19.296 3.840 1.00 54.81 ? 423 LEU A O 1 ATOM 612 C CB . LEU A 1 82 ? 23.638 21.594 5.086 1.00 57.23 ? 423 LEU A CB 1 ATOM 613 C CG . LEU A 1 82 ? 23.199 23.026 5.316 1.00 57.35 ? 423 LEU A CG 1 ATOM 614 C CD1 . LEU A 1 82 ? 21.727 23.091 5.697 1.00 58.24 ? 423 LEU A CD1 1 ATOM 615 C CD2 . LEU A 1 82 ? 24.090 23.624 6.380 1.00 57.60 ? 423 LEU A CD2 1 ATOM 616 N N . ASP A 1 83 ? 26.724 20.570 5.144 1.00 52.61 ? 424 ASP A N 1 ATOM 617 C CA . ASP A 1 83 ? 27.621 19.490 5.514 1.00 50.22 ? 424 ASP A CA 1 ATOM 618 C C . ASP A 1 83 ? 26.852 18.546 6.414 1.00 47.93 ? 424 ASP A C 1 ATOM 619 O O . ASP A 1 83 ? 26.023 18.981 7.200 1.00 47.67 ? 424 ASP A O 1 ATOM 620 C CB . ASP A 1 83 ? 28.845 20.033 6.241 1.00 50.52 ? 424 ASP A CB 1 ATOM 621 C CG . ASP A 1 83 ? 30.069 19.181 6.014 1.00 51.77 ? 424 ASP A CG 1 ATOM 622 O OD1 . ASP A 1 83 ? 30.712 19.352 4.947 1.00 52.47 ? 424 ASP A OD1 1 ATOM 623 O OD2 . ASP A 1 83 ? 30.453 18.308 6.831 1.00 52.64 ? 424 ASP A OD2 1 ATOM 624 N N . CYS A 1 84 ? 27.128 17.254 6.300 1.00 45.19 ? 425 CYS A N 1 ATOM 625 C CA . CYS A 1 84 ? 26.383 16.250 7.052 1.00 42.24 ? 425 CYS A CA 1 ATOM 626 C C . CYS A 1 84 ? 26.278 16.504 8.561 1.00 41.50 ? 425 CYS A C 1 ATOM 627 O O . CYS A 1 84 ? 25.194 16.406 9.136 1.00 41.15 ? 425 CYS A O 1 ATOM 628 C CB . CYS A 1 84 ? 26.941 14.848 6.783 1.00 41.53 ? 425 CYS A CB 1 ATOM 629 S SG . CYS A 1 84 ? 26.014 13.515 7.590 1.00 37.09 ? 425 CYS A SG 1 ATOM 630 N N . VAL A 1 85 ? 27.392 16.836 9.204 1.00 40.31 ? 426 VAL A N 1 ATOM 631 C CA . VAL A 1 85 ? 27.372 17.047 10.648 1.00 39.32 ? 426 VAL A CA 1 ATOM 632 C C . VAL A 1 85 ? 26.455 18.176 11.121 1.00 38.97 ? 426 VAL A C 1 ATOM 633 O O . VAL A 1 85 ? 25.942 18.133 12.240 1.00 38.40 ? 426 VAL A O 1 ATOM 634 C CB . VAL A 1 85 ? 28.769 17.286 11.208 1.00 39.22 ? 426 VAL A CB 1 ATOM 635 C CG1 . VAL A 1 85 ? 28.727 17.232 12.728 1.00 39.59 ? 426 VAL A CG1 1 ATOM 636 C CG2 . VAL A 1 85 ? 29.728 16.259 10.667 1.00 38.42 ? 426 VAL A CG2 1 ATOM 637 N N . LEU A 1 86 ? 26.259 19.189 10.277 1.00 38.79 ? 427 LEU A N 1 ATOM 638 C CA . LEU A 1 86 ? 25.407 20.332 10.633 1.00 38.52 ? 427 LEU A CA 1 ATOM 639 C C . LEU A 1 86 ? 23.983 20.177 10.089 1.00 38.18 ? 427 LEU A C 1 ATOM 640 O O . LEU A 1 86 ? 23.039 20.760 10.613 1.00 38.75 ? 427 LEU A O 1 ATOM 641 C CB . LEU A 1 86 ? 26.028 21.656 10.153 1.00 38.25 ? 427 LEU A CB 1 ATOM 642 C CG . LEU A 1 86 ? 27.461 21.990 10.594 1.00 38.22 ? 427 LEU A CG 1 ATOM 643 C CD1 . LEU A 1 86 ? 28.092 23.014 9.662 1.00 37.18 ? 427 LEU A CD1 1 ATOM 644 C CD2 . LEU A 1 86 ? 27.505 22.483 12.035 1.00 37.30 ? 427 LEU A CD2 1 ATOM 645 N N . ARG A 1 87 ? 23.838 19.378 9.043 1.00 37.65 ? 428 ARG A N 1 ATOM 646 C CA . ARG A 1 87 ? 22.556 19.157 8.394 1.00 37.26 ? 428 ARG A CA 1 ATOM 647 C C . ARG A 1 87 ? 21.542 18.567 9.370 1.00 36.99 ? 428 ARG A C 1 ATOM 648 O O . ARG A 1 87 ? 21.853 17.679 10.145 1.00 36.77 ? 428 ARG A O 1 ATOM 649 C CB . ARG A 1 87 ? 22.780 18.209 7.224 1.00 37.36 ? 428 ARG A CB 1 ATOM 650 C CG . ARG A 1 87 ? 21.564 17.870 6.385 1.00 38.07 ? 428 ARG A CG 1 ATOM 651 C CD . ARG A 1 87 ? 21.719 16.553 5.608 1.00 37.47 ? 428 ARG A CD 1 ATOM 652 N NE . ARG A 1 87 ? 22.967 16.511 4.848 1.00 37.48 ? 428 ARG A NE 1 ATOM 653 C CZ . ARG A 1 87 ? 23.699 15.419 4.646 1.00 37.69 ? 428 ARG A CZ 1 ATOM 654 N NH1 . ARG A 1 87 ? 23.311 14.258 5.146 1.00 37.71 ? 428 ARG A NH1 1 ATOM 655 N NH2 . ARG A 1 87 ? 24.822 15.488 3.931 1.00 38.49 ? 428 ARG A NH2 1 ATOM 656 N N . PRO A 1 88 ? 20.315 19.054 9.332 1.00 36.89 ? 429 PRO A N 1 ATOM 657 C CA . PRO A 1 88 ? 19.301 18.567 10.265 1.00 36.66 ? 429 PRO A CA 1 ATOM 658 C C . PRO A 1 88 ? 19.004 17.112 9.950 1.00 36.80 ? 429 PRO A C 1 ATOM 659 O O . PRO A 1 88 ? 19.371 16.652 8.863 1.00 36.62 ? 429 PRO A O 1 ATOM 660 C CB . PRO A 1 88 ? 18.083 19.445 9.954 1.00 36.59 ? 429 PRO A CB 1 ATOM 661 C CG . PRO A 1 88 ? 18.645 20.629 9.200 1.00 36.53 ? 429 PRO A CG 1 ATOM 662 C CD . PRO A 1 88 ? 19.788 20.070 8.401 1.00 36.78 ? 429 PRO A CD 1 ATOM 663 N N . THR A 1 89 ? 18.372 16.397 10.884 1.00 36.91 ? 430 THR A N 1 ATOM 664 C CA . THR A 1 89 ? 18.027 15.000 10.655 1.00 36.73 ? 430 THR A CA 1 ATOM 665 C C . THR A 1 89 ? 16.626 14.893 10.096 1.00 36.52 ? 430 THR A C 1 ATOM 666 O O . THR A 1 89 ? 15.662 15.413 10.656 1.00 36.41 ? 430 THR A O 1 ATOM 667 C CB . THR A 1 89 ? 18.116 14.175 11.933 1.00 36.65 ? 430 THR A CB 1 ATOM 668 O OG1 . THR A 1 89 ? 17.045 14.544 12.805 1.00 37.66 ? 430 THR A OG1 1 ATOM 669 C CG2 . THR A 1 89 ? 19.354 14.531 12.710 1.00 36.86 ? 430 THR A CG2 1 ATOM 670 N N . GLU A 1 90 ? 16.522 14.179 8.990 1.00 36.42 ? 431 GLU A N 1 ATOM 671 C CA . GLU A 1 90 ? 15.244 14.006 8.335 1.00 36.31 ? 431 GLU A CA 1 ATOM 672 C C . GLU A 1 90 ? 14.278 13.022 8.983 1.00 35.23 ? 431 GLU A C 1 ATOM 673 O O . GLU A 1 90 ? 13.079 13.224 8.913 1.00 35.99 ? 431 GLU A O 1 ATOM 674 C CB . GLU A 1 90 ? 15.455 13.637 6.876 1.00 36.86 ? 431 GLU A CB 1 ATOM 675 C CG . GLU A 1 90 ? 15.491 14.844 5.954 1.00 39.40 ? 431 GLU A CG 1 ATOM 676 C CD . GLU A 1 90 ? 15.840 14.468 4.535 1.00 42.78 ? 431 GLU A CD 1 ATOM 677 O OE1 . GLU A 1 90 ? 15.029 14.752 3.636 1.00 45.65 ? 431 GLU A OE1 1 ATOM 678 O OE2 . GLU A 1 90 ? 16.923 13.882 4.323 1.00 43.78 ? 431 GLU A OE2 1 ATOM 679 N N . GLY A 1 91 ? 14.773 11.965 9.608 1.00 33.70 ? 432 GLY A N 1 ATOM 680 C CA . GLY A 1 91 ? 13.874 10.988 10.197 1.00 31.68 ? 432 GLY A CA 1 ATOM 681 C C . GLY A 1 91 ? 13.767 9.753 9.314 1.00 30.39 ? 432 GLY A C 1 ATOM 682 O O . GLY A 1 91 ? 14.400 9.684 8.241 1.00 30.79 ? 432 GLY A O 1 ATOM 683 N N . TYR A 1 92 ? 12.986 8.767 9.744 1.00 28.17 ? 433 TYR A N 1 ATOM 684 C CA . TYR A 1 92 ? 12.838 7.561 8.930 1.00 26.03 ? 433 TYR A CA 1 ATOM 685 C C . TYR A 1 92 ? 11.426 6.986 8.979 1.00 24.71 ? 433 TYR A C 1 ATOM 686 O O . TYR A 1 92 ? 10.666 7.273 9.898 1.00 24.17 ? 433 TYR A O 1 ATOM 687 C CB . TYR A 1 92 ? 13.924 6.527 9.254 1.00 26.07 ? 433 TYR A CB 1 ATOM 688 C CG . TYR A 1 92 ? 13.842 5.876 10.609 1.00 24.69 ? 433 TYR A CG 1 ATOM 689 C CD1 . TYR A 1 92 ? 12.929 4.867 10.856 1.00 24.37 ? 433 TYR A CD1 1 ATOM 690 C CD2 . TYR A 1 92 ? 14.711 6.235 11.624 1.00 24.41 ? 433 TYR A CD2 1 ATOM 691 C CE1 . TYR A 1 92 ? 12.856 4.256 12.083 1.00 24.67 ? 433 TYR A CE1 1 ATOM 692 C CE2 . TYR A 1 92 ? 14.646 5.626 12.867 1.00 24.51 ? 433 TYR A CE2 1 ATOM 693 C CZ . TYR A 1 92 ? 13.714 4.641 13.090 1.00 24.19 ? 433 TYR A CZ 1 ATOM 694 O OH . TYR A 1 92 ? 13.650 4.017 14.315 1.00 23.48 ? 433 TYR A OH 1 ATOM 695 N N . LEU A 1 93 ? 11.066 6.178 7.989 1.00 23.03 ? 434 LEU A N 1 ATOM 696 C CA . LEU A 1 93 ? 9.683 5.724 7.922 1.00 21.64 ? 434 LEU A CA 1 ATOM 697 C C . LEU A 1 93 ? 9.433 4.320 8.471 1.00 20.64 ? 434 LEU A C 1 ATOM 698 O O . LEU A 1 93 ? 10.100 3.367 8.122 1.00 20.14 ? 434 LEU A O 1 ATOM 699 C CB . LEU A 1 93 ? 9.150 5.826 6.494 1.00 21.73 ? 434 LEU A CB 1 ATOM 700 C CG . LEU A 1 93 ? 9.381 7.084 5.652 1.00 21.43 ? 434 LEU A CG 1 ATOM 701 C CD1 . LEU A 1 93 ? 8.941 6.844 4.226 1.00 19.88 ? 434 LEU A CD1 1 ATOM 702 C CD2 . LEU A 1 93 ? 8.651 8.281 6.228 1.00 22.26 ? 434 LEU A CD2 1 ATOM 703 N N . ALA A 1 94 ? 8.460 4.210 9.351 1.00 19.57 ? 435 ALA A N 1 ATOM 704 C CA . ALA A 1 94 ? 8.078 2.917 9.865 1.00 18.92 ? 435 ALA A CA 1 ATOM 705 C C . ALA A 1 94 ? 7.050 2.440 8.871 1.00 18.36 ? 435 ALA A C 1 ATOM 706 O O . ALA A 1 94 ? 6.102 3.162 8.566 1.00 18.56 ? 435 ALA A O 1 ATOM 707 C CB . ALA A 1 94 ? 7.450 3.064 11.256 1.00 19.27 ? 435 ALA A CB 1 ATOM 708 N N . VAL A 1 95 ? 7.229 1.242 8.346 1.00 17.35 ? 436 VAL A N 1 ATOM 709 C CA . VAL A 1 95 ? 6.305 0.723 7.369 1.00 16.59 ? 436 VAL A CA 1 ATOM 710 C C . VAL A 1 95 ? 6.016 -0.702 7.766 1.00 17.00 ? 436 VAL A C 1 ATOM 711 O O . VAL A 1 95 ? 6.761 -1.287 8.550 1.00 16.96 ? 436 VAL A O 1 ATOM 712 C CB . VAL A 1 95 ? 6.948 0.704 5.997 1.00 16.43 ? 436 VAL A CB 1 ATOM 713 C CG1 . VAL A 1 95 ? 7.156 2.107 5.500 1.00 17.13 ? 436 VAL A CG1 1 ATOM 714 C CG2 . VAL A 1 95 ? 8.288 -0.022 6.046 1.00 15.51 ? 436 VAL A CG2 1 ATOM 715 N N . ALA A 1 96 ? 4.926 -1.251 7.244 1.00 16.95 ? 437 ALA A N 1 ATOM 716 C CA . ALA A 1 96 ? 4.575 -2.629 7.467 1.00 17.31 ? 437 ALA A CA 1 ATOM 717 C C . ALA A 1 96 ? 4.709 -3.279 6.111 1.00 18.19 ? 437 ALA A C 1 ATOM 718 O O . ALA A 1 96 ? 4.116 -2.798 5.154 1.00 18.30 ? 437 ALA A O 1 ATOM 719 C CB . ALA A 1 96 ? 3.185 -2.729 7.949 1.00 17.13 ? 437 ALA A CB 1 ATOM 720 N N . VAL A 1 97 ? 5.487 -4.361 6.031 1.00 18.92 ? 438 VAL A N 1 ATOM 721 C CA . VAL A 1 97 ? 5.797 -5.017 4.769 1.00 19.51 ? 438 VAL A CA 1 ATOM 722 C C . VAL A 1 97 ? 5.219 -6.435 4.740 1.00 20.34 ? 438 VAL A C 1 ATOM 723 O O . VAL A 1 97 ? 5.193 -7.105 5.758 1.00 20.62 ? 438 VAL A O 1 ATOM 724 C CB . VAL A 1 97 ? 7.340 -5.083 4.573 1.00 19.70 ? 438 VAL A CB 1 ATOM 725 C CG1 . VAL A 1 97 ? 7.720 -5.593 3.172 1.00 18.28 ? 438 VAL A CG1 1 ATOM 726 C CG2 . VAL A 1 97 ? 7.979 -3.721 4.862 1.00 19.80 ? 438 VAL A CG2 1 ATOM 727 N N . VAL A 1 98 ? 4.758 -6.885 3.573 1.00 20.94 ? 439 VAL A N 1 ATOM 728 C CA . VAL A 1 98 ? 4.192 -8.227 3.420 1.00 21.17 ? 439 VAL A CA 1 ATOM 729 C C . VAL A 1 98 ? 4.572 -8.831 2.067 1.00 22.05 ? 439 VAL A C 1 ATOM 730 O O . VAL A 1 98 ? 4.978 -8.129 1.144 1.00 21.94 ? 439 VAL A O 1 ATOM 731 C CB . VAL A 1 98 ? 2.645 -8.240 3.506 1.00 21.07 ? 439 VAL A CB 1 ATOM 732 C CG1 . VAL A 1 98 ? 2.153 -7.847 4.900 1.00 20.16 ? 439 VAL A CG1 1 ATOM 733 C CG2 . VAL A 1 98 ? 2.032 -7.351 2.421 1.00 20.31 ? 439 VAL A CG2 1 ATOM 734 N N . LYS A 1 99 ? 4.432 -10.145 1.943 1.00 22.78 ? 440 LYS A N 1 ATOM 735 C CA . LYS A 1 99 ? 4.732 -10.790 0.678 1.00 23.49 ? 440 LYS A CA 1 ATOM 736 C C . LYS A 1 99 ? 3.634 -10.444 -0.313 1.00 24.34 ? 440 LYS A C 1 ATOM 737 O O . LYS A 1 99 ? 2.468 -10.497 0.034 1.00 24.22 ? 440 LYS A O 1 ATOM 738 C CB . LYS A 1 99 ? 4.797 -12.313 0.860 1.00 23.02 ? 440 LYS A CB 1 ATOM 739 C CG . LYS A 1 99 ? 6.108 -12.904 0.408 1.00 22.18 ? 440 LYS A CG 1 ATOM 740 C CD . LYS A 1 99 ? 7.235 -12.455 1.320 1.00 21.36 ? 440 LYS A CD 1 ATOM 741 C CE . LYS A 1 99 ? 8.529 -13.196 1.031 1.00 21.14 ? 440 LYS A CE 1 ATOM 742 N NZ . LYS A 1 99 ? 8.403 -14.673 1.231 1.00 19.82 ? 440 LYS A NZ 1 ATOM 743 N N . LYS A 1 100 ? 3.998 -10.073 -1.534 1.00 25.93 ? 441 LYS A N 1 ATOM 744 C CA . LYS A 1 100 ? 2.999 -9.822 -2.569 1.00 27.57 ? 441 LYS A CA 1 ATOM 745 C C . LYS A 1 100 ? 2.202 -11.095 -2.789 1.00 28.36 ? 441 LYS A C 1 ATOM 746 O O . LYS A 1 100 ? 0.966 -11.092 -2.786 1.00 28.48 ? 441 LYS A O 1 ATOM 747 C CB . LYS A 1 100 ? 3.677 -9.465 -3.873 1.00 27.81 ? 441 LYS A CB 1 ATOM 748 C CG . LYS A 1 100 ? 2.786 -9.635 -5.075 1.00 29.38 ? 441 LYS A CG 1 ATOM 749 C CD . LYS A 1 100 ? 3.622 -9.914 -6.307 1.00 33.05 ? 441 LYS A CD 1 ATOM 750 C CE . LYS A 1 100 ? 2.980 -9.318 -7.545 1.00 35.66 ? 441 LYS A CE 1 ATOM 751 N NZ . LYS A 1 100 ? 3.954 -9.231 -8.669 1.00 37.04 ? 441 LYS A NZ 1 ATOM 752 N N . ALA A 1 101 ? 2.931 -12.188 -2.977 1.00 29.43 ? 442 ALA A N 1 ATOM 753 C CA . ALA A 1 101 ? 2.337 -13.473 -3.203 1.00 30.31 ? 442 ALA A CA 1 ATOM 754 C C . ALA A 1 101 ? 1.164 -13.739 -2.258 1.00 30.96 ? 442 ALA A C 1 ATOM 755 O O . ALA A 1 101 ? 0.187 -14.383 -2.624 1.00 31.73 ? 442 ALA A O 1 ATOM 756 C CB . ALA A 1 101 ? 3.359 -14.584 -3.024 1.00 30.18 ? 442 ALA A CB 1 ATOM 757 N N . ASN A 1 102 ? 1.283 -13.231 -1.056 1.00 31.64 ? 443 ASN A N 1 ATOM 758 C CA . ASN A 1 102 ? 0.285 -13.294 -0.013 1.00 32.33 ? 443 ASN A CA 1 ATOM 759 C C . ASN A 1 102 ? -0.788 -12.236 -0.326 1.00 32.71 ? 443 ASN A C 1 ATOM 760 O O . ASN A 1 102 ? -0.772 -11.123 0.189 1.00 32.61 ? 443 ASN A O 1 ATOM 761 C CB . ASN A 1 102 ? 0.942 -13.007 1.326 1.00 32.55 ? 443 ASN A CB 1 ATOM 762 C CG . ASN A 1 102 ? 0.290 -13.701 2.512 1.00 33.15 ? 443 ASN A CG 1 ATOM 763 O OD1 . ASN A 1 102 ? -0.654 -14.471 2.369 1.00 36.12 ? 443 ASN A OD1 1 ATOM 764 N ND2 . ASN A 1 102 ? 0.796 -13.422 3.707 1.00 33.30 ? 443 ASN A ND2 1 ATOM 765 N N . GLU A 1 103 ? -1.708 -12.590 -1.201 1.00 33.47 ? 444 GLU A N 1 ATOM 766 C CA . GLU A 1 103 ? -2.789 -11.715 -1.657 1.00 34.14 ? 444 GLU A CA 1 ATOM 767 C C . GLU A 1 103 ? -3.869 -11.495 -0.608 1.00 34.65 ? 444 GLU A C 1 ATOM 768 O O . GLU A 1 103 ? -4.024 -12.312 0.303 1.00 35.21 ? 444 GLU A O 1 ATOM 769 C CB . GLU A 1 103 ? -3.473 -12.304 -2.896 1.00 34.26 ? 444 GLU A CB 1 ATOM 770 C CG . GLU A 1 103 ? -2.849 -11.941 -4.234 1.00 35.04 ? 444 GLU A CG 1 ATOM 771 C CD . GLU A 1 103 ? -3.055 -13.014 -5.288 1.00 36.19 ? 444 GLU A CD 1 ATOM 772 O OE1 . GLU A 1 103 ? -2.165 -13.884 -5.424 1.00 36.67 ? 444 GLU A OE1 1 ATOM 773 O OE2 . GLU A 1 103 ? -4.095 -12.992 -5.985 1.00 36.46 ? 444 GLU A OE2 1 ATOM 774 N N . GLY A 1 104 ? -4.597 -10.394 -0.749 1.00 35.08 ? 445 GLY A N 1 ATOM 775 C CA . GLY A 1 104 ? -5.706 -10.084 0.143 1.00 35.71 ? 445 GLY A CA 1 ATOM 776 C C . GLY A 1 104 ? -5.405 -9.744 1.597 1.00 36.01 ? 445 GLY A C 1 ATOM 777 O O . GLY A 1 104 ? -6.321 -9.458 2.371 1.00 36.42 ? 445 GLY A O 1 ATOM 778 N N . LEU A 1 105 ? -4.131 -9.757 1.973 1.00 36.00 ? 446 LEU A N 1 ATOM 779 C CA . LEU A 1 105 ? -3.738 -9.430 3.340 1.00 35.73 ? 446 LEU A CA 1 ATOM 780 C C . LEU A 1 105 ? -3.569 -7.915 3.487 1.00 35.75 ? 446 LEU A C 1 ATOM 781 O O . LEU A 1 105 ? -2.660 -7.333 2.895 1.00 35.78 ? 446 LEU A O 1 ATOM 782 C CB . LEU A 1 105 ? -2.428 -10.130 3.699 1.00 35.67 ? 446 LEU A CB 1 ATOM 783 C CG . LEU A 1 105 ? -1.749 -9.710 5.010 1.00 35.78 ? 446 LEU A CG 1 ATOM 784 C CD1 . LEU A 1 105 ? -2.551 -10.148 6.226 1.00 35.59 ? 446 LEU A CD1 1 ATOM 785 C CD2 . LEU A 1 105 ? -0.338 -10.251 5.093 1.00 35.74 ? 446 LEU A CD2 1 ATOM 786 N N . THR A 1 106 ? -4.439 -7.280 4.271 1.00 35.40 ? 447 THR A N 1 ATOM 787 C CA . THR A 1 106 ? -4.368 -5.838 4.472 1.00 35.33 ? 447 THR A CA 1 ATOM 788 C C . THR A 1 106 ? -4.221 -5.481 5.942 1.00 35.18 ? 447 THR A C 1 ATOM 789 O O . THR A 1 106 ? -4.286 -6.342 6.807 1.00 35.42 ? 447 THR A O 1 ATOM 790 C CB . THR A 1 106 ? -5.630 -5.165 3.933 1.00 35.29 ? 447 THR A CB 1 ATOM 791 O OG1 . THR A 1 106 ? -6.732 -5.455 4.808 1.00 35.87 ? 447 THR A OG1 1 ATOM 792 C CG2 . THR A 1 106 ? -6.039 -5.785 2.599 1.00 35.24 ? 447 THR A CG2 1 ATOM 793 N N . TRP A 1 107 ? -4.033 -4.197 6.217 1.00 34.87 ? 448 TRP A N 1 ATOM 794 C CA . TRP A 1 107 ? -3.948 -3.715 7.583 1.00 34.69 ? 448 TRP A CA 1 ATOM 795 C C . TRP A 1 107 ? -5.162 -4.146 8.383 1.00 34.72 ? 448 TRP A C 1 ATOM 796 O O . TRP A 1 107 ? -5.134 -4.187 9.611 1.00 34.80 ? 448 TRP A O 1 ATOM 797 C CB . TRP A 1 107 ? -3.939 -2.199 7.602 1.00 34.86 ? 448 TRP A CB 1 ATOM 798 C CG . TRP A 1 107 ? -3.861 -1.694 8.979 1.00 34.20 ? 448 TRP A CG 1 ATOM 799 C CD1 . TRP A 1 107 ? -4.881 -1.215 9.745 1.00 33.50 ? 448 TRP A CD1 1 ATOM 800 C CD2 . TRP A 1 107 ? -2.692 -1.653 9.793 1.00 34.25 ? 448 TRP A CD2 1 ATOM 801 N NE1 . TRP A 1 107 ? -4.414 -0.864 10.989 1.00 32.57 ? 448 TRP A NE1 1 ATOM 802 C CE2 . TRP A 1 107 ? -3.068 -1.122 11.041 1.00 33.37 ? 448 TRP A CE2 1 ATOM 803 C CE3 . TRP A 1 107 ? -1.354 -2.016 9.596 1.00 33.92 ? 448 TRP A CE3 1 ATOM 804 C CZ2 . TRP A 1 107 ? -2.162 -0.944 12.072 1.00 33.12 ? 448 TRP A CZ2 1 ATOM 805 C CZ3 . TRP A 1 107 ? -0.460 -1.838 10.622 1.00 33.22 ? 448 TRP A CZ3 1 ATOM 806 C CH2 . TRP A 1 107 ? -0.865 -1.306 11.842 1.00 33.03 ? 448 TRP A CH2 1 ATOM 807 N N . ASN A 1 108 ? -6.242 -4.447 7.675 1.00 34.33 ? 449 ASN A N 1 ATOM 808 C CA . ASN A 1 108 ? -7.492 -4.775 8.318 1.00 33.80 ? 449 ASN A CA 1 ATOM 809 C C . ASN A 1 108 ? -7.669 -6.242 8.542 1.00 33.23 ? 449 ASN A C 1 ATOM 810 O O . ASN A 1 108 ? -8.606 -6.664 9.210 1.00 33.57 ? 449 ASN A O 1 ATOM 811 C CB . ASN A 1 108 ? -8.648 -4.246 7.484 1.00 34.03 ? 449 ASN A CB 1 ATOM 812 C CG . ASN A 1 108 ? -8.747 -2.747 7.545 1.00 35.50 ? 449 ASN A CG 1 ATOM 813 O OD1 . ASN A 1 108 ? -8.184 -2.121 8.444 1.00 36.54 ? 449 ASN A OD1 1 ATOM 814 N ND2 . ASN A 1 108 ? -9.462 -2.154 6.591 1.00 36.78 ? 449 ASN A ND2 1 ATOM 815 N N . SER A 1 109 ? -6.784 -7.039 7.976 1.00 32.45 ? 450 SER A N 1 ATOM 816 C CA . SER A 1 109 ? -6.921 -8.468 8.131 1.00 31.86 ? 450 SER A CA 1 ATOM 817 C C . SER A 1 109 ? -5.720 -8.989 8.887 1.00 31.33 ? 450 SER A C 1 ATOM 818 O O . SER A 1 109 ? -5.192 -10.069 8.584 1.00 31.39 ? 450 SER A O 1 ATOM 819 C CB . SER A 1 109 ? -7.023 -9.126 6.761 1.00 32.08 ? 450 SER A CB 1 ATOM 820 O OG . SER A 1 109 ? -5.934 -8.740 5.952 1.00 32.92 ? 450 SER A OG 1 ATOM 821 N N . LEU A 1 110 ? -5.288 -8.227 9.883 1.00 30.30 ? 451 LEU A N 1 ATOM 822 C CA . LEU A 1 110 ? -4.080 -8.586 10.592 1.00 29.48 ? 451 LEU A CA 1 ATOM 823 C C . LEU A 1 110 ? -4.341 -9.470 11.778 1.00 29.39 ? 451 LEU A C 1 ATOM 824 O O . LEU A 1 110 ? -3.454 -10.202 12.216 1.00 29.40 ? 451 LEU A O 1 ATOM 825 C CB . LEU A 1 110 ? -3.327 -7.355 11.038 1.00 29.43 ? 451 LEU A CB 1 ATOM 826 C CG . LEU A 1 110 ? -2.423 -6.761 9.980 1.00 29.06 ? 451 LEU A CG 1 ATOM 827 C CD1 . LEU A 1 110 ? -1.245 -6.091 10.658 1.00 29.40 ? 451 LEU A CD1 1 ATOM 828 C CD2 . LEU A 1 110 ? -1.951 -7.862 9.105 1.00 29.60 ? 451 LEU A CD2 1 ATOM 829 N N . LYS A 1 111 ? -5.553 -9.422 12.303 1.00 28.86 ? 452 LYS A N 1 ATOM 830 C CA . LYS A 1 111 ? -5.834 -10.250 13.470 1.00 28.61 ? 452 LYS A CA 1 ATOM 831 C C . LYS A 1 111 ? -5.511 -11.733 13.225 1.00 27.82 ? 452 LYS A C 1 ATOM 832 O O . LYS A 1 111 ? -5.990 -12.323 12.273 1.00 27.79 ? 452 LYS A O 1 ATOM 833 C CB . LYS A 1 111 ? -7.283 -10.063 13.959 1.00 28.48 ? 452 LYS A CB 1 ATOM 834 C CG . LYS A 1 111 ? -7.413 -10.228 15.448 1.00 28.93 ? 452 LYS A CG 1 ATOM 835 C CD . LYS A 1 111 ? -8.756 -10.805 15.829 1.00 33.43 ? 452 LYS A CD 1 ATOM 836 C CE . LYS A 1 111 ? -8.752 -11.311 17.286 1.00 35.92 ? 452 LYS A CE 1 ATOM 837 N NZ . LYS A 1 111 ? -7.724 -12.377 17.534 1.00 36.04 ? 452 LYS A NZ 1 ATOM 838 N N . ASP A 1 112 ? -4.680 -12.312 14.085 1.00 27.41 ? 453 ASP A N 1 ATOM 839 C CA . ASP A 1 112 ? -4.345 -13.742 14.029 1.00 27.27 ? 453 ASP A CA 1 ATOM 840 C C . ASP A 1 112 ? -3.282 -14.165 12.991 1.00 26.52 ? 453 ASP A C 1 ATOM 841 O O . ASP A 1 112 ? -2.946 -15.347 12.888 1.00 26.64 ? 453 ASP A O 1 ATOM 842 C CB . ASP A 1 112 ? -5.604 -14.591 13.861 1.00 27.61 ? 453 ASP A CB 1 ATOM 843 C CG . ASP A 1 112 ? -6.536 -14.511 15.060 1.00 29.29 ? 453 ASP A CG 1 ATOM 844 O OD1 . ASP A 1 112 ? -7.145 -15.537 15.390 1.00 32.73 ? 453 ASP A OD1 1 ATOM 845 O OD2 . ASP A 1 112 ? -6.744 -13.491 15.741 1.00 30.39 ? 453 ASP A OD2 1 ATOM 846 N N . LYS A 1 113 ? -2.763 -13.214 12.224 1.00 25.37 ? 454 LYS A N 1 ATOM 847 C CA . LYS A 1 113 ? -1.671 -13.505 11.319 1.00 24.42 ? 454 LYS A CA 1 ATOM 848 C C . LYS A 1 113 ? -0.396 -13.576 12.153 1.00 23.75 ? 454 LYS A C 1 ATOM 849 O O . LYS A 1 113 ? -0.439 -13.364 13.362 1.00 23.87 ? 454 LYS A O 1 ATOM 850 C CB . LYS A 1 113 ? -1.564 -12.427 10.245 1.00 24.75 ? 454 LYS A CB 1 ATOM 851 C CG . LYS A 1 113 ? -2.762 -12.390 9.328 1.00 24.83 ? 454 LYS A CG 1 ATOM 852 C CD . LYS A 1 113 ? -2.970 -13.763 8.740 1.00 25.95 ? 454 LYS A CD 1 ATOM 853 C CE . LYS A 1 113 ? -4.429 -14.019 8.450 1.00 26.74 ? 454 LYS A CE 1 ATOM 854 N NZ . LYS A 1 113 ? -5.253 -12.971 9.110 1.00 28.35 ? 454 LYS A NZ 1 ATOM 855 N N . LYS A 1 114 ? 0.732 -13.873 11.520 1.00 22.69 ? 455 LYS A N 1 ATOM 856 C CA . LYS A 1 114 ? 1.986 -14.016 12.242 1.00 21.94 ? 455 LYS A CA 1 ATOM 857 C C . LYS A 1 114 ? 2.851 -12.788 12.059 1.00 21.25 ? 455 LYS A C 1 ATOM 858 O O . LYS A 1 114 ? 2.980 -12.310 10.940 1.00 21.23 ? 455 LYS A O 1 ATOM 859 C CB . LYS A 1 114 ? 2.726 -15.249 11.738 1.00 22.30 ? 455 LYS A CB 1 ATOM 860 C CG . LYS A 1 114 ? 2.053 -16.544 12.104 1.00 22.60 ? 455 LYS A CG 1 ATOM 861 C CD . LYS A 1 114 ? 2.916 -17.734 11.729 1.00 24.73 ? 455 LYS A CD 1 ATOM 862 C CE . LYS A 1 114 ? 2.479 -18.393 10.437 1.00 26.26 ? 455 LYS A CE 1 ATOM 863 N NZ . LYS A 1 114 ? 3.509 -19.343 9.904 1.00 27.66 ? 455 LYS A NZ 1 ATOM 864 N N . SER A 1 115 ? 3.472 -12.281 13.126 1.00 20.30 ? 456 SER A N 1 ATOM 865 C CA . SER A 1 115 ? 4.234 -11.034 12.973 1.00 19.55 ? 456 SER A CA 1 ATOM 866 C C . SER A 1 115 ? 5.679 -11.122 13.332 1.00 18.80 ? 456 SER A C 1 ATOM 867 O O . SER A 1 115 ? 6.063 -11.937 14.146 1.00 18.65 ? 456 SER A O 1 ATOM 868 C CB . SER A 1 115 ? 3.613 -9.888 13.765 1.00 19.47 ? 456 SER A CB 1 ATOM 869 O OG . SER A 1 115 ? 3.651 -10.150 15.152 1.00 20.73 ? 456 SER A OG 1 ATOM 870 N N . CYS A 1 116 ? 6.461 -10.248 12.702 1.00 18.64 ? 457 CYS A N 1 ATOM 871 C CA . CYS A 1 116 ? 7.895 -10.130 12.894 1.00 18.27 ? 457 CYS A CA 1 ATOM 872 C C . CYS A 1 116 ? 8.251 -8.733 13.391 1.00 18.01 ? 457 CYS A C 1 ATOM 873 O O . CYS A 1 116 ? 8.031 -7.757 12.696 1.00 18.04 ? 457 CYS A O 1 ATOM 874 C CB . CYS A 1 116 ? 8.598 -10.397 11.573 1.00 18.50 ? 457 CYS A CB 1 ATOM 875 S SG . CYS A 1 116 ? 8.410 -12.097 10.938 1.00 20.07 ? 457 CYS A SG 1 ATOM 876 N N . HIS A 1 117 ? 8.795 -8.642 14.601 1.00 18.05 ? 458 HIS A N 1 ATOM 877 C CA . HIS A 1 117 ? 9.171 -7.368 15.204 1.00 18.08 ? 458 HIS A CA 1 ATOM 878 C C . HIS A 1 117 ? 10.661 -7.226 15.418 1.00 17.73 ? 458 HIS A C 1 ATOM 879 O O . HIS A 1 117 ? 11.336 -8.167 15.810 1.00 17.15 ? 458 HIS A O 1 ATOM 880 C CB . HIS A 1 117 ? 8.506 -7.206 16.557 1.00 18.23 ? 458 HIS A CB 1 ATOM 881 C CG . HIS A 1 117 ? 7.022 -7.306 16.506 1.00 20.05 ? 458 HIS A CG 1 ATOM 882 N ND1 . HIS A 1 117 ? 6.196 -6.233 16.760 1.00 20.44 ? 458 HIS A ND1 1 ATOM 883 C CD2 . HIS A 1 117 ? 6.209 -8.354 16.231 1.00 21.62 ? 458 HIS A CD2 1 ATOM 884 C CE1 . HIS A 1 117 ? 4.937 -6.615 16.643 1.00 20.81 ? 458 HIS A CE1 1 ATOM 885 N NE2 . HIS A 1 117 ? 4.917 -7.898 16.327 1.00 21.93 ? 458 HIS A NE2 1 ATOM 886 N N . THR A 1 118 ? 11.167 -6.021 15.209 1.00 17.61 ? 459 THR A N 1 ATOM 887 C CA . THR A 1 118 ? 12.583 -5.790 15.418 1.00 17.32 ? 459 THR A CA 1 ATOM 888 C C . THR A 1 118 ? 12.972 -6.210 16.828 1.00 16.89 ? 459 THR A C 1 ATOM 889 O O . THR A 1 118 ? 13.918 -6.968 17.006 1.00 17.02 ? 459 THR A O 1 ATOM 890 C CB . THR A 1 118 ? 12.919 -4.332 15.156 1.00 17.35 ? 459 THR A CB 1 ATOM 891 O OG1 . THR A 1 118 ? 12.081 -3.503 15.964 1.00 16.99 ? 459 THR A OG1 1 ATOM 892 C CG2 . THR A 1 118 ? 12.492 -3.977 13.755 1.00 17.06 ? 459 THR A CG2 1 ATOM 893 N N . ALA A 1 119 ? 12.233 -5.715 17.816 1.00 16.21 ? 460 ALA A N 1 ATOM 894 C CA . ALA A 1 119 ? 12.421 -6.069 19.227 1.00 15.68 ? 460 ALA A CA 1 ATOM 895 C C . ALA A 1 119 ? 11.460 -5.224 20.038 1.00 15.76 ? 460 ALA A C 1 ATOM 896 O O . ALA A 1 119 ? 11.097 -4.114 19.626 1.00 15.82 ? 460 ALA A O 1 ATOM 897 C CB . ALA A 1 119 ? 13.828 -5.827 19.680 1.00 15.02 ? 460 ALA A CB 1 ATOM 898 N N . VAL A 1 120 ? 11.024 -5.745 21.178 1.00 15.54 ? 461 VAL A N 1 ATOM 899 C CA . VAL A 1 120 ? 10.125 -4.984 22.030 1.00 15.54 ? 461 VAL A CA 1 ATOM 900 C C . VAL A 1 120 ? 10.733 -3.625 22.450 1.00 15.83 ? 461 VAL A C 1 ATOM 901 O O . VAL A 1 120 ? 11.949 -3.505 22.657 1.00 15.44 ? 461 VAL A O 1 ATOM 902 C CB . VAL A 1 120 ? 9.720 -5.785 23.259 1.00 15.35 ? 461 VAL A CB 1 ATOM 903 C CG1 . VAL A 1 120 ? 9.128 -4.852 24.276 1.00 16.08 ? 461 VAL A CG1 1 ATOM 904 C CG2 . VAL A 1 120 ? 8.726 -6.867 22.891 1.00 14.46 ? 461 VAL A CG2 1 ATOM 905 N N . ASP A 1 121 ? 9.871 -2.609 22.547 1.00 16.38 ? 462 ASP A N 1 ATOM 906 C CA . ASP A 1 121 ? 10.245 -1.221 22.905 1.00 16.63 ? 462 ASP A CA 1 ATOM 907 C C . ASP A 1 121 ? 10.923 -0.400 21.839 1.00 16.51 ? 462 ASP A C 1 ATOM 908 O O . ASP A 1 121 ? 11.427 0.686 22.136 1.00 16.93 ? 462 ASP A O 1 ATOM 909 C CB . ASP A 1 121 ? 11.124 -1.156 24.136 1.00 16.44 ? 462 ASP A CB 1 ATOM 910 C CG . ASP A 1 121 ? 10.348 -1.342 25.378 1.00 18.42 ? 462 ASP A CG 1 ATOM 911 O OD1 . ASP A 1 121 ? 9.096 -1.264 25.280 1.00 18.93 ? 462 ASP A OD1 1 ATOM 912 O OD2 . ASP A 1 121 ? 10.898 -1.576 26.487 1.00 20.62 ? 462 ASP A OD2 1 ATOM 913 N N . ARG A 1 122 ? 10.969 -0.897 20.612 1.00 16.26 ? 463 ARG A N 1 ATOM 914 C CA . ARG A 1 122 ? 11.609 -0.121 19.565 1.00 16.04 ? 463 ARG A CA 1 ATOM 915 C C . ARG A 1 122 ? 10.550 0.647 18.792 1.00 15.89 ? 463 ARG A C 1 ATOM 916 O O . ARG A 1 122 ? 9.368 0.339 18.858 1.00 16.20 ? 463 ARG A O 1 ATOM 917 C CB . ARG A 1 122 ? 12.509 -0.993 18.696 1.00 16.05 ? 463 ARG A CB 1 ATOM 918 C CG . ARG A 1 122 ? 13.787 -1.368 19.426 1.00 16.79 ? 463 ARG A CG 1 ATOM 919 C CD . ARG A 1 122 ? 14.785 -2.196 18.649 1.00 18.71 ? 463 ARG A CD 1 ATOM 920 N NE . ARG A 1 122 ? 15.321 -1.516 17.469 1.00 20.34 ? 463 ARG A NE 1 ATOM 921 C CZ . ARG A 1 122 ? 16.406 -1.918 16.823 1.00 20.36 ? 463 ARG A CZ 1 ATOM 922 N NH1 . ARG A 1 122 ? 17.081 -2.972 17.257 1.00 20.50 ? 463 ARG A NH1 1 ATOM 923 N NH2 . ARG A 1 122 ? 16.821 -1.274 15.747 1.00 21.48 ? 463 ARG A NH2 1 ATOM 924 N N . THR A 1 123 ? 10.961 1.670 18.085 1.00 15.65 ? 464 THR A N 1 ATOM 925 C CA . THR A 1 123 ? 9.995 2.512 17.434 1.00 15.72 ? 464 THR A CA 1 ATOM 926 C C . THR A 1 123 ? 9.219 1.827 16.327 1.00 16.60 ? 464 THR A C 1 ATOM 927 O O . THR A 1 123 ? 8.006 1.654 16.396 1.00 16.94 ? 464 THR A O 1 ATOM 928 C CB . THR A 1 123 ? 10.729 3.691 16.848 1.00 15.63 ? 464 THR A CB 1 ATOM 929 O OG1 . THR A 1 123 ? 11.242 4.494 17.922 1.00 14.92 ? 464 THR A OG1 1 ATOM 930 C CG2 . THR A 1 123 ? 9.758 4.569 16.094 1.00 14.01 ? 464 THR A CG2 1 ATOM 931 N N . ALA A 1 124 ? 9.922 1.449 15.277 1.00 17.42 ? 465 ALA A N 1 ATOM 932 C CA . ALA A 1 124 ? 9.243 0.884 14.137 1.00 18.12 ? 465 ALA A CA 1 ATOM 933 C C . ALA A 1 124 ? 8.797 -0.538 14.419 1.00 19.01 ? 465 ALA A C 1 ATOM 934 O O . ALA A 1 124 ? 7.718 -0.952 13.993 1.00 19.74 ? 465 ALA A O 1 ATOM 935 C CB . ALA A 1 124 ? 10.136 0.927 12.922 1.00 17.80 ? 465 ALA A CB 1 ATOM 936 N N . GLY A 1 125 ? 9.609 -1.293 15.146 1.00 19.14 ? 466 GLY A N 1 ATOM 937 C CA . GLY A 1 125 ? 9.283 -2.684 15.334 1.00 19.54 ? 466 GLY A CA 1 ATOM 938 C C . GLY A 1 125 ? 8.191 -2.943 16.337 1.00 20.12 ? 466 GLY A C 1 ATOM 939 O O . GLY A 1 125 ? 7.564 -4.011 16.312 1.00 20.20 ? 466 GLY A O 1 ATOM 940 N N . TRP A 1 126 ? 7.939 -1.973 17.211 1.00 20.35 ? 467 TRP A N 1 ATOM 941 C CA . TRP A 1 126 ? 7.003 -2.206 18.307 1.00 20.44 ? 467 TRP A CA 1 ATOM 942 C C . TRP A 1 126 ? 6.074 -1.041 18.618 1.00 20.56 ? 467 TRP A C 1 ATOM 943 O O . TRP A 1 126 ? 4.861 -1.115 18.410 1.00 20.50 ? 467 TRP A O 1 ATOM 944 C CB . TRP A 1 126 ? 7.800 -2.561 19.572 1.00 20.63 ? 467 TRP A CB 1 ATOM 945 C CG . TRP A 1 126 ? 6.946 -2.967 20.716 1.00 20.59 ? 467 TRP A CG 1 ATOM 946 C CD1 . TRP A 1 126 ? 6.576 -2.196 21.768 1.00 20.56 ? 467 TRP A CD1 1 ATOM 947 C CD2 . TRP A 1 126 ? 6.334 -4.247 20.918 1.00 20.70 ? 467 TRP A CD2 1 ATOM 948 N NE1 . TRP A 1 126 ? 5.767 -2.915 22.615 1.00 21.27 ? 467 TRP A NE1 1 ATOM 949 C CE2 . TRP A 1 126 ? 5.604 -4.178 22.115 1.00 20.70 ? 467 TRP A CE2 1 ATOM 950 C CE3 . TRP A 1 126 ? 6.336 -5.458 20.205 1.00 20.48 ? 467 TRP A CE3 1 ATOM 951 C CZ2 . TRP A 1 126 ? 4.882 -5.264 22.619 1.00 21.34 ? 467 TRP A CZ2 1 ATOM 952 C CZ3 . TRP A 1 126 ? 5.618 -6.535 20.703 1.00 19.44 ? 467 TRP A CZ3 1 ATOM 953 C CH2 . TRP A 1 126 ? 4.903 -6.432 21.893 1.00 20.60 ? 467 TRP A CH2 1 ATOM 954 N N . ASN A 1 127 ? 6.660 0.027 19.134 1.00 20.61 ? 468 ASN A N 1 ATOM 955 C CA . ASN A 1 127 ? 5.912 1.179 19.596 1.00 21.25 ? 468 ASN A CA 1 ATOM 956 C C . ASN A 1 127 ? 4.874 1.771 18.660 1.00 21.73 ? 468 ASN A C 1 ATOM 957 O O . ASN A 1 127 ? 3.801 2.176 19.102 1.00 22.26 ? 468 ASN A O 1 ATOM 958 C CB . ASN A 1 127 ? 6.874 2.262 20.071 1.00 21.63 ? 468 ASN A CB 1 ATOM 959 C CG . ASN A 1 127 ? 7.486 1.923 21.412 1.00 21.73 ? 468 ASN A CG 1 ATOM 960 O OD1 . ASN A 1 127 ? 7.398 0.787 21.864 1.00 21.17 ? 468 ASN A OD1 1 ATOM 961 N ND2 . ASN A 1 127 ? 8.096 2.901 22.056 1.00 23.37 ? 468 ASN A ND2 1 ATOM 962 N N . ILE A 1 128 ? 5.179 1.847 17.373 1.00 21.99 ? 469 ILE A N 1 ATOM 963 C CA . ILE A 1 128 ? 4.220 2.419 16.443 1.00 21.83 ? 469 ILE A CA 1 ATOM 964 C C . ILE A 1 128 ? 3.086 1.432 16.162 1.00 22.25 ? 469 ILE A C 1 ATOM 965 O O . ILE A 1 128 ? 1.920 1.747 16.397 1.00 22.69 ? 469 ILE A O 1 ATOM 966 C CB . ILE A 1 128 ? 4.925 2.861 15.133 1.00 21.67 ? 469 ILE A CB 1 ATOM 967 C CG1 . ILE A 1 128 ? 6.019 3.898 15.417 1.00 21.55 ? 469 ILE A CG1 1 ATOM 968 C CG2 . ILE A 1 128 ? 3.925 3.376 14.121 1.00 20.56 ? 469 ILE A CG2 1 ATOM 969 C CD1 . ILE A 1 128 ? 5.525 5.251 15.828 1.00 21.07 ? 469 ILE A CD1 1 ATOM 970 N N . PRO A 1 129 ? 3.420 0.232 15.690 1.00 22.39 ? 470 PRO A N 1 ATOM 971 C CA . PRO A 1 129 ? 2.400 -0.727 15.265 1.00 22.72 ? 470 PRO A CA 1 ATOM 972 C C . PRO A 1 129 ? 1.443 -1.101 16.378 1.00 23.25 ? 470 PRO A C 1 ATOM 973 O O . PRO A 1 129 ? 0.226 -1.032 16.206 1.00 23.39 ? 470 PRO A O 1 ATOM 974 C CB . PRO A 1 129 ? 3.230 -1.955 14.846 1.00 22.73 ? 470 PRO A CB 1 ATOM 975 C CG . PRO A 1 129 ? 4.534 -1.793 15.524 1.00 22.08 ? 470 PRO A CG 1 ATOM 976 C CD . PRO A 1 129 ? 4.779 -0.314 15.514 1.00 22.36 ? 470 PRO A CD 1 ATOM 977 N N . MET A 1 130 ? 1.992 -1.500 17.516 1.00 23.76 ? 471 MET A N 1 ATOM 978 C CA . MET A 1 130 ? 1.160 -1.925 18.629 1.00 24.10 ? 471 MET A CA 1 ATOM 979 C C . MET A 1 130 ? 0.457 -0.714 19.214 1.00 24.16 ? 471 MET A C 1 ATOM 980 O O . MET A 1 130 ? -0.647 -0.809 19.720 1.00 24.27 ? 471 MET A O 1 ATOM 981 C CB . MET A 1 130 ? 1.999 -2.667 19.657 1.00 23.99 ? 471 MET A CB 1 ATOM 982 C CG . MET A 1 130 ? 2.700 -3.868 19.043 1.00 24.70 ? 471 MET A CG 1 ATOM 983 S SD . MET A 1 130 ? 1.570 -5.228 19.026 1.00 26.18 ? 471 MET A SD 1 ATOM 984 C CE . MET A 1 130 ? 1.796 -5.873 17.502 1.00 25.68 ? 471 MET A CE 1 ATOM 985 N N . GLY A 1 131 ? 1.095 0.439 19.126 1.00 24.40 ? 472 GLY A N 1 ATOM 986 C CA . GLY A 1 131 ? 0.447 1.647 19.576 1.00 24.53 ? 472 GLY A CA 1 ATOM 987 C C . GLY A 1 131 ? -0.859 1.750 18.819 1.00 25.11 ? 472 GLY A C 1 ATOM 988 O O . GLY A 1 131 ? -1.934 1.827 19.425 1.00 25.01 ? 472 GLY A O 1 ATOM 989 N N . LEU A 1 132 ? -0.770 1.733 17.489 1.00 25.36 ? 473 LEU A N 1 ATOM 990 C CA . LEU A 1 132 ? -1.960 1.812 16.659 1.00 25.91 ? 473 LEU A CA 1 ATOM 991 C C . LEU A 1 132 ? -2.884 0.618 16.874 1.00 26.66 ? 473 LEU A C 1 ATOM 992 O O . LEU A 1 132 ? -4.099 0.762 16.885 1.00 26.92 ? 473 LEU A O 1 ATOM 993 C CB . LEU A 1 132 ? -1.588 1.878 15.185 1.00 25.58 ? 473 LEU A CB 1 ATOM 994 C CG . LEU A 1 132 ? -0.637 2.970 14.711 1.00 24.80 ? 473 LEU A CG 1 ATOM 995 C CD1 . LEU A 1 132 ? 0.027 2.535 13.396 1.00 24.24 ? 473 LEU A CD1 1 ATOM 996 C CD2 . LEU A 1 132 ? -1.393 4.268 14.538 1.00 22.34 ? 473 LEU A CD2 1 ATOM 997 N N . ILE A 1 133 ? -2.323 -0.568 17.033 1.00 27.24 ? 474 ILE A N 1 ATOM 998 C CA . ILE A 1 133 ? -3.189 -1.712 17.172 1.00 28.34 ? 474 ILE A CA 1 ATOM 999 C C . ILE A 1 133 ? -3.957 -1.602 18.466 1.00 29.29 ? 474 ILE A C 1 ATOM 1000 O O . ILE A 1 133 ? -5.143 -1.928 18.524 1.00 29.27 ? 474 ILE A O 1 ATOM 1001 C CB . ILE A 1 133 ? -2.402 -3.018 17.086 1.00 28.34 ? 474 ILE A CB 1 ATOM 1002 C CG1 . ILE A 1 133 ? -2.250 -3.406 15.619 1.00 29.15 ? 474 ILE A CG1 1 ATOM 1003 C CG2 . ILE A 1 133 ? -3.143 -4.122 17.777 1.00 27.30 ? 474 ILE A CG2 1 ATOM 1004 C CD1 . ILE A 1 133 ? -0.873 -3.881 15.234 1.00 30.11 ? 474 ILE A CD1 1 ATOM 1005 N N . VAL A 1 134 ? -3.286 -1.125 19.506 1.00 30.37 ? 475 VAL A N 1 ATOM 1006 C CA . VAL A 1 134 ? -3.958 -0.955 20.774 1.00 31.51 ? 475 VAL A CA 1 ATOM 1007 C C . VAL A 1 134 ? -5.100 0.035 20.553 1.00 32.58 ? 475 VAL A C 1 ATOM 1008 O O . VAL A 1 134 ? -6.276 -0.286 20.742 1.00 32.68 ? 475 VAL A O 1 ATOM 1009 C CB . VAL A 1 134 ? -3.000 -0.452 21.880 1.00 31.52 ? 475 VAL A CB 1 ATOM 1010 C CG1 . VAL A 1 134 ? -3.781 -0.013 23.104 1.00 31.03 ? 475 VAL A CG1 1 ATOM 1011 C CG2 . VAL A 1 134 ? -1.966 -1.525 22.248 1.00 30.88 ? 475 VAL A CG2 1 ATOM 1012 N N . ASN A 1 135 ? -4.751 1.229 20.104 1.00 33.97 ? 476 ASN A N 1 ATOM 1013 C CA . ASN A 1 135 ? -5.747 2.269 19.909 1.00 35.34 ? 476 ASN A CA 1 ATOM 1014 C C . ASN A 1 135 ? -6.961 1.799 19.135 1.00 35.68 ? 476 ASN A C 1 ATOM 1015 O O . ASN A 1 135 ? -8.100 1.925 19.623 1.00 36.22 ? 476 ASN A O 1 ATOM 1016 C CB . ASN A 1 135 ? -5.130 3.509 19.256 1.00 36.08 ? 476 ASN A CB 1 ATOM 1017 C CG . ASN A 1 135 ? -4.490 4.483 20.232 1.00 38.41 ? 476 ASN A CG 1 ATOM 1018 O OD1 . ASN A 1 135 ? -4.317 4.169 21.406 1.00 40.13 ? 476 ASN A OD1 1 ATOM 1019 N ND2 . ASN A 1 135 ? -4.128 5.668 19.743 1.00 42.57 ? 476 ASN A ND2 1 ATOM 1020 N N . GLN A 1 136 ? -6.764 1.250 17.942 1.00 36.31 ? 477 GLN A N 1 ATOM 1021 C CA . GLN A 1 136 ? -7.888 0.772 17.132 1.00 36.98 ? 477 GLN A CA 1 ATOM 1022 C C . GLN A 1 136 ? -8.641 -0.335 17.811 1.00 37.20 ? 477 GLN A C 1 ATOM 1023 O O . GLN A 1 136 ? -9.801 -0.581 17.503 1.00 37.22 ? 477 GLN A O 1 ATOM 1024 C CB . GLN A 1 136 ? -7.415 0.175 15.816 1.00 37.06 ? 477 GLN A CB 1 ATOM 1025 C CG . GLN A 1 136 ? -6.998 1.137 14.752 1.00 38.16 ? 477 GLN A CG 1 ATOM 1026 C CD . GLN A 1 136 ? -6.142 0.432 13.741 1.00 40.20 ? 477 GLN A CD 1 ATOM 1027 O OE1 . GLN A 1 136 ? -6.148 -0.812 13.674 1.00 41.16 ? 477 GLN A OE1 1 ATOM 1028 N NE2 . GLN A 1 136 ? -5.385 1.199 12.965 1.00 40.20 ? 477 GLN A NE2 1 ATOM 1029 N N . THR A 1 137 ? -7.974 -1.022 18.723 1.00 37.85 ? 478 THR A N 1 ATOM 1030 C CA . THR A 1 137 ? -8.559 -2.203 19.332 1.00 38.31 ? 478 THR A CA 1 ATOM 1031 C C . THR A 1 137 ? -9.358 -1.944 20.593 1.00 38.80 ? 478 THR A C 1 ATOM 1032 O O . THR A 1 137 ? -10.316 -2.646 20.878 1.00 38.74 ? 478 THR A O 1 ATOM 1033 C CB . THR A 1 137 ? -7.458 -3.247 19.552 1.00 38.41 ? 478 THR A CB 1 ATOM 1034 O OG1 . THR A 1 137 ? -7.505 -4.188 18.473 1.00 38.04 ? 478 THR A OG1 1 ATOM 1035 C CG2 . THR A 1 137 ? -7.712 -4.085 20.795 1.00 38.16 ? 478 THR A CG2 1 ATOM 1036 N N . GLY A 1 138 ? -8.997 -0.912 21.336 1.00 39.47 ? 479 GLY A N 1 ATOM 1037 C CA . GLY A 1 138 ? -9.693 -0.660 22.579 1.00 40.28 ? 479 GLY A CA 1 ATOM 1038 C C . GLY A 1 138 ? -9.182 -1.606 23.647 1.00 40.73 ? 479 GLY A C 1 ATOM 1039 O O . GLY A 1 138 ? -9.433 -1.393 24.833 1.00 41.42 ? 479 GLY A O 1 ATOM 1040 N N . SER A 1 139 ? -8.471 -2.655 23.230 1.00 40.82 ? 480 SER A N 1 ATOM 1041 C CA . SER A 1 139 ? -7.854 -3.594 24.167 1.00 41.00 ? 480 SER A CA 1 ATOM 1042 C C . SER A 1 139 ? -6.368 -3.305 24.425 1.00 40.94 ? 480 SER A C 1 ATOM 1043 O O . SER A 1 139 ? -5.687 -2.666 23.626 1.00 41.27 ? 480 SER A O 1 ATOM 1044 C CB . SER A 1 139 ? -7.986 -5.031 23.673 1.00 41.03 ? 480 SER A CB 1 ATOM 1045 O OG . SER A 1 139 ? -7.027 -5.855 24.322 1.00 41.56 ? 480 SER A OG 1 ATOM 1046 N N . CYS A 1 140 ? -5.876 -3.788 25.556 1.00 40.66 ? 481 CYS A N 1 ATOM 1047 C CA . CYS A 1 140 ? -4.478 -3.649 25.919 1.00 40.08 ? 481 CYS A CA 1 ATOM 1048 C C . CYS A 1 140 ? -3.875 -5.009 25.766 1.00 39.95 ? 481 CYS A C 1 ATOM 1049 O O . CYS A 1 140 ? -2.700 -5.211 26.043 1.00 39.92 ? 481 CYS A O 1 ATOM 1050 C CB . CYS A 1 140 ? -4.337 -3.261 27.391 1.00 40.37 ? 481 CYS A CB 1 ATOM 1051 S SG . CYS A 1 140 ? -4.315 -1.498 27.750 1.00 38.32 ? 481 CYS A SG 1 ATOM 1052 N N . ALA A 1 141 ? -4.697 -5.964 25.364 1.00 39.81 ? 482 ALA A N 1 ATOM 1053 C CA . ALA A 1 141 ? -4.208 -7.314 25.226 1.00 39.78 ? 482 ALA A CA 1 ATOM 1054 C C . ALA A 1 141 ? -3.601 -7.467 23.853 1.00 39.83 ? 482 ALA A C 1 ATOM 1055 O O . ALA A 1 141 ? -4.001 -8.321 23.065 1.00 40.03 ? 482 ALA A O 1 ATOM 1056 C CB . ALA A 1 141 ? -5.310 -8.299 25.441 1.00 40.23 ? 482 ALA A CB 1 ATOM 1057 N N . PHE A 1 142 ? -2.635 -6.610 23.564 1.00 39.51 ? 483 PHE A N 1 ATOM 1058 C CA . PHE A 1 142 ? -1.927 -6.695 22.316 1.00 39.35 ? 483 PHE A CA 1 ATOM 1059 C C . PHE A 1 142 ? -1.162 -8.028 22.263 1.00 39.18 ? 483 PHE A C 1 ATOM 1060 O O . PHE A 1 142 ? -0.837 -8.537 21.194 1.00 39.24 ? 483 PHE A O 1 ATOM 1061 C CB . PHE A 1 142 ? -1.001 -5.491 22.164 1.00 39.42 ? 483 PHE A CB 1 ATOM 1062 C CG . PHE A 1 142 ? -0.041 -5.302 23.311 1.00 39.80 ? 483 PHE A CG 1 ATOM 1063 C CD1 . PHE A 1 142 ? -0.078 -4.146 24.084 1.00 39.71 ? 483 PHE A CD1 1 ATOM 1064 C CD2 . PHE A 1 142 ? 0.921 -6.258 23.596 1.00 39.90 ? 483 PHE A CD2 1 ATOM 1065 C CE1 . PHE A 1 142 ? 0.811 -3.957 25.132 1.00 38.95 ? 483 PHE A CE1 1 ATOM 1066 C CE2 . PHE A 1 142 ? 1.809 -6.073 24.641 1.00 39.61 ? 483 PHE A CE2 1 ATOM 1067 C CZ . PHE A 1 142 ? 1.754 -4.919 25.408 1.00 39.17 ? 483 PHE A CZ 1 ATOM 1068 N N . ASP A 1 143 ? -0.907 -8.610 23.422 1.00 38.86 ? 484 ASP A N 1 ATOM 1069 C CA . ASP A 1 143 ? -0.233 -9.890 23.462 1.00 38.92 ? 484 ASP A CA 1 ATOM 1070 C C . ASP A 1 143 ? -1.106 -11.002 22.867 1.00 38.34 ? 484 ASP A C 1 ATOM 1071 O O . ASP A 1 143 ? -0.684 -12.148 22.783 1.00 38.16 ? 484 ASP A O 1 ATOM 1072 C CB . ASP A 1 143 ? 0.196 -10.229 24.896 1.00 39.49 ? 484 ASP A CB 1 ATOM 1073 C CG . ASP A 1 143 ? -0.975 -10.464 25.812 1.00 40.87 ? 484 ASP A CG 1 ATOM 1074 O OD1 . ASP A 1 143 ? -1.856 -9.578 25.885 1.00 42.51 ? 484 ASP A OD1 1 ATOM 1075 O OD2 . ASP A 1 143 ? -1.107 -11.511 26.489 1.00 43.60 ? 484 ASP A OD2 1 ATOM 1076 N N . GLU A 1 144 ? -2.311 -10.657 22.429 1.00 37.86 ? 485 GLU A N 1 ATOM 1077 C CA . GLU A 1 144 ? -3.236 -11.651 21.874 1.00 37.49 ? 485 GLU A CA 1 ATOM 1078 C C . GLU A 1 144 ? -3.694 -11.368 20.458 1.00 36.34 ? 485 GLU A C 1 ATOM 1079 O O . GLU A 1 144 ? -4.424 -12.160 19.871 1.00 36.51 ? 485 GLU A O 1 ATOM 1080 C CB . GLU A 1 144 ? -4.479 -11.780 22.754 1.00 38.19 ? 485 GLU A CB 1 ATOM 1081 C CG . GLU A 1 144 ? -4.365 -12.837 23.837 1.00 41.29 ? 485 GLU A CG 1 ATOM 1082 C CD . GLU A 1 144 ? -5.420 -12.671 24.905 1.00 45.82 ? 485 GLU A CD 1 ATOM 1083 O OE1 . GLU A 1 144 ? -5.052 -12.499 26.084 1.00 48.25 ? 485 GLU A OE1 1 ATOM 1084 O OE2 . GLU A 1 144 ? -6.620 -12.702 24.563 1.00 48.33 ? 485 GLU A OE2 1 ATOM 1085 N N . PHE A 1 145 ? -3.292 -10.229 19.916 1.00 34.94 ? 486 PHE A N 1 ATOM 1086 C CA . PHE A 1 145 ? -3.668 -9.866 18.565 1.00 33.27 ? 486 PHE A CA 1 ATOM 1087 C C . PHE A 1 145 ? -3.086 -10.871 17.591 1.00 32.73 ? 486 PHE A C 1 ATOM 1088 O O . PHE A 1 145 ? -3.816 -11.571 16.920 1.00 33.03 ? 486 PHE A O 1 ATOM 1089 C CB . PHE A 1 145 ? -3.140 -8.478 18.262 1.00 33.04 ? 486 PHE A CB 1 ATOM 1090 C CG . PHE A 1 145 ? -3.656 -7.900 16.996 1.00 31.93 ? 486 PHE A CG 1 ATOM 1091 C CD1 . PHE A 1 145 ? -4.869 -7.226 16.974 1.00 31.22 ? 486 PHE A CD1 1 ATOM 1092 C CD2 . PHE A 1 145 ? -2.924 -8.010 15.826 1.00 30.55 ? 486 PHE A CD2 1 ATOM 1093 C CE1 . PHE A 1 145 ? -5.350 -6.674 15.808 1.00 30.05 ? 486 PHE A CE1 1 ATOM 1094 C CE2 . PHE A 1 145 ? -3.398 -7.471 14.659 1.00 29.93 ? 486 PHE A CE2 1 ATOM 1095 C CZ . PHE A 1 145 ? -4.612 -6.797 14.648 1.00 30.59 ? 486 PHE A CZ 1 ATOM 1096 N N . PHE A 1 146 ? -1.766 -10.954 17.525 1.00 32.02 ? 487 PHE A N 1 ATOM 1097 C CA . PHE A 1 146 ? -1.106 -11.894 16.624 1.00 31.58 ? 487 PHE A CA 1 ATOM 1098 C C . PHE A 1 146 ? -1.075 -13.321 17.193 1.00 31.40 ? 487 PHE A C 1 ATOM 1099 O O . PHE A 1 146 ? -0.667 -13.534 18.338 1.00 31.74 ? 487 PHE A O 1 ATOM 1100 C CB . PHE A 1 146 ? 0.300 -11.401 16.296 1.00 31.39 ? 487 PHE A CB 1 ATOM 1101 C CG . PHE A 1 146 ? 0.312 -10.171 15.460 1.00 30.98 ? 487 PHE A CG 1 ATOM 1102 C CD1 . PHE A 1 146 ? -0.200 -10.194 14.180 1.00 31.48 ? 487 PHE A CD1 1 ATOM 1103 C CD2 . PHE A 1 146 ? 0.806 -8.990 15.948 1.00 31.45 ? 487 PHE A CD2 1 ATOM 1104 C CE1 . PHE A 1 146 ? -0.205 -9.060 13.387 1.00 31.42 ? 487 PHE A CE1 1 ATOM 1105 C CE2 . PHE A 1 146 ? 0.808 -7.852 15.158 1.00 32.57 ? 487 PHE A CE2 1 ATOM 1106 C CZ . PHE A 1 146 ? 0.302 -7.893 13.871 1.00 31.57 ? 487 PHE A CZ 1 ATOM 1107 N N . SER A 1 147 ? -1.519 -14.296 16.399 1.00 30.41 ? 488 SER A N 1 ATOM 1108 C CA . SER A 1 147 ? -1.550 -15.676 16.861 1.00 29.03 ? 488 SER A CA 1 ATOM 1109 C C . SER A 1 147 ? -0.165 -16.074 17.365 1.00 28.53 ? 488 SER A C 1 ATOM 1110 O O . SER A 1 147 ? -0.021 -16.639 18.463 1.00 28.43 ? 488 SER A O 1 ATOM 1111 C CB . SER A 1 147 ? -2.014 -16.611 15.749 1.00 28.65 ? 488 SER A CB 1 ATOM 1112 O OG . SER A 1 147 ? -1.092 -16.626 14.684 1.00 28.24 ? 488 SER A OG 1 ATOM 1113 N N . GLN A 1 148 ? 0.852 -15.762 16.565 1.00 27.47 ? 489 GLN A N 1 ATOM 1114 C CA . GLN A 1 148 ? 2.241 -16.058 16.926 1.00 26.25 ? 489 GLN A CA 1 ATOM 1115 C C . GLN A 1 148 ? 3.152 -14.967 16.423 1.00 24.80 ? 489 GLN A C 1 ATOM 1116 O O . GLN A 1 148 ? 2.857 -14.334 15.417 1.00 24.59 ? 489 GLN A O 1 ATOM 1117 C CB . GLN A 1 148 ? 2.695 -17.379 16.329 1.00 26.39 ? 489 GLN A CB 1 ATOM 1118 C CG . GLN A 1 148 ? 1.750 -18.493 16.549 1.00 27.27 ? 489 GLN A CG 1 ATOM 1119 C CD . GLN A 1 148 ? 2.410 -19.814 16.297 1.00 30.51 ? 489 GLN A CD 1 ATOM 1120 O OE1 . GLN A 1 148 ? 2.868 -20.467 17.236 1.00 32.24 ? 489 GLN A OE1 1 ATOM 1121 N NE2 . GLN A 1 148 ? 2.478 -20.218 15.029 1.00 31.31 ? 489 GLN A NE2 1 ATOM 1122 N N . SER A 1 149 ? 4.276 -14.763 17.104 1.00 23.44 ? 490 SER A N 1 ATOM 1123 C CA . SER A 1 149 ? 5.169 -13.677 16.735 1.00 21.96 ? 490 SER A CA 1 ATOM 1124 C C . SER A 1 149 ? 6.617 -13.886 17.087 1.00 21.31 ? 490 SER A C 1 ATOM 1125 O O . SER A 1 149 ? 6.990 -14.840 17.762 1.00 21.39 ? 490 SER A O 1 ATOM 1126 C CB . SER A 1 149 ? 4.704 -12.401 17.413 1.00 21.48 ? 490 SER A CB 1 ATOM 1127 O OG . SER A 1 149 ? 3.432 -12.026 16.938 1.00 21.54 ? 490 SER A OG 1 ATOM 1128 N N . CYS A 1 150 ? 7.447 -12.962 16.616 1.00 20.60 ? 491 CYS A N 1 ATOM 1129 C CA . CYS A 1 150 ? 8.815 -12.934 17.052 1.00 20.68 ? 491 CYS A CA 1 ATOM 1130 C C . CYS A 1 150 ? 9.046 -11.497 17.409 1.00 19.61 ? 491 CYS A C 1 ATOM 1131 O O . CYS A 1 150 ? 9.231 -10.651 16.543 1.00 19.45 ? 491 CYS A O 1 ATOM 1132 C CB . CYS A 1 150 ? 9.835 -13.414 16.027 1.00 21.39 ? 491 CYS A CB 1 ATOM 1133 S SG . CYS A 1 150 ? 11.505 -13.702 16.687 1.00 23.40 ? 491 CYS A SG 1 ATOM 1134 N N . ALA A 1 151 ? 8.998 -11.268 18.704 1.00 18.79 ? 492 ALA A N 1 ATOM 1135 C CA . ALA A 1 151 ? 9.221 -9.992 19.303 1.00 18.11 ? 492 ALA A CA 1 ATOM 1136 C C . ALA A 1 151 ? 10.281 -10.245 20.349 1.00 18.06 ? 492 ALA A C 1 ATOM 1137 O O . ALA A 1 151 ? 10.000 -10.679 21.478 1.00 17.80 ? 492 ALA A O 1 ATOM 1138 C CB . ALA A 1 151 ? 7.975 -9.435 19.958 1.00 17.33 ? 492 ALA A CB 1 ATOM 1139 N N . PRO A 1 152 ? 11.501 -9.956 19.916 1.00 17.91 ? 493 PRO A N 1 ATOM 1140 C CA . PRO A 1 152 ? 12.632 -10.050 20.866 1.00 18.12 ? 493 PRO A CA 1 ATOM 1141 C C . PRO A 1 152 ? 12.463 -9.203 22.079 1.00 18.82 ? 493 PRO A C 1 ATOM 1142 O O . PRO A 1 152 ? 12.191 -8.004 21.966 1.00 19.02 ? 493 PRO A O 1 ATOM 1143 C CB . PRO A 1 152 ? 13.849 -9.684 20.065 1.00 17.88 ? 493 PRO A CB 1 ATOM 1144 C CG . PRO A 1 152 ? 13.523 -10.359 18.786 1.00 17.84 ? 493 PRO A CG 1 ATOM 1145 C CD . PRO A 1 152 ? 12.034 -10.578 18.693 1.00 17.88 ? 493 PRO A CD 1 ATOM 1146 N N . GLY A 1 153 ? 12.642 -9.782 23.239 1.00 19.21 ? 494 GLY A N 1 ATOM 1147 C CA . GLY A 1 153 ? 12.508 -9.044 24.476 1.00 19.64 ? 494 GLY A CA 1 ATOM 1148 C C . GLY A 1 153 ? 11.332 -9.533 25.283 1.00 20.21 ? 494 GLY A C 1 ATOM 1149 O O . GLY A 1 153 ? 11.291 -9.336 26.491 1.00 20.63 ? 494 GLY A O 1 ATOM 1150 N N . ALA A 1 154 ? 10.387 -10.168 24.618 1.00 20.97 ? 495 ALA A N 1 ATOM 1151 C CA . ALA A 1 154 ? 9.243 -10.705 25.333 1.00 21.78 ? 495 ALA A CA 1 ATOM 1152 C C . ALA A 1 154 ? 9.604 -12.015 26.016 1.00 22.36 ? 495 ALA A C 1 ATOM 1153 O O . ALA A 1 154 ? 10.691 -12.557 25.834 1.00 22.00 ? 495 ALA A O 1 ATOM 1154 C CB . ALA A 1 154 ? 8.052 -10.886 24.405 1.00 21.81 ? 495 ALA A CB 1 ATOM 1155 N N . ASP A 1 155 ? 8.670 -12.488 26.827 1.00 23.78 ? 496 ASP A N 1 ATOM 1156 C CA . ASP A 1 155 ? 8.808 -13.710 27.595 1.00 24.76 ? 496 ASP A CA 1 ATOM 1157 C C . ASP A 1 155 ? 8.941 -14.855 26.608 1.00 25.26 ? 496 ASP A C 1 ATOM 1158 O O . ASP A 1 155 ? 8.025 -15.137 25.836 1.00 25.06 ? 496 ASP A O 1 ATOM 1159 C CB . ASP A 1 155 ? 7.573 -13.853 28.483 1.00 25.09 ? 496 ASP A CB 1 ATOM 1160 C CG . ASP A 1 155 ? 7.516 -15.160 29.210 1.00 26.27 ? 496 ASP A CG 1 ATOM 1161 O OD1 . ASP A 1 155 ? 8.541 -15.863 29.243 1.00 27.38 ? 496 ASP A OD1 1 ATOM 1162 O OD2 . ASP A 1 155 ? 6.481 -15.562 29.781 1.00 29.21 ? 496 ASP A OD2 1 ATOM 1163 N N . PRO A 1 156 ? 10.108 -15.486 26.622 1.00 25.77 ? 497 PRO A N 1 ATOM 1164 C CA . PRO A 1 156 ? 10.428 -16.571 25.693 1.00 26.41 ? 497 PRO A CA 1 ATOM 1165 C C . PRO A 1 156 ? 9.340 -17.643 25.607 1.00 27.09 ? 497 PRO A C 1 ATOM 1166 O O . PRO A 1 156 ? 9.036 -18.120 24.516 1.00 27.38 ? 497 PRO A O 1 ATOM 1167 C CB . PRO A 1 156 ? 11.722 -17.146 26.273 1.00 26.47 ? 497 PRO A CB 1 ATOM 1168 C CG . PRO A 1 156 ? 12.357 -15.986 26.966 1.00 26.28 ? 497 PRO A CG 1 ATOM 1169 C CD . PRO A 1 156 ? 11.213 -15.200 27.552 1.00 25.63 ? 497 PRO A CD 1 ATOM 1170 N N . LYS A 1 157 ? 8.756 -18.025 26.733 1.00 27.85 ? 498 LYS A N 1 ATOM 1171 C CA . LYS A 1 157 ? 7.692 -19.022 26.701 1.00 28.75 ? 498 LYS A CA 1 ATOM 1172 C C . LYS A 1 157 ? 6.343 -18.447 26.251 1.00 28.88 ? 498 LYS A C 1 ATOM 1173 O O . LYS A 1 157 ? 5.336 -19.165 26.282 1.00 29.43 ? 498 LYS A O 1 ATOM 1174 C CB . LYS A 1 157 ? 7.486 -19.655 28.077 1.00 29.05 ? 498 LYS A CB 1 ATOM 1175 C CG . LYS A 1 157 ? 8.596 -19.391 29.079 1.00 31.40 ? 498 LYS A CG 1 ATOM 1176 C CD . LYS A 1 157 ? 8.033 -19.425 30.493 1.00 33.84 ? 498 LYS A CD 1 ATOM 1177 C CE . LYS A 1 157 ? 6.989 -18.319 30.716 1.00 33.70 ? 498 LYS A CE 1 ATOM 1178 N NZ . LYS A 1 157 ? 7.414 -17.338 31.728 1.00 31.82 ? 498 LYS A NZ 1 ATOM 1179 N N . SER A 1 158 ? 6.289 -17.165 25.886 1.00 28.11 ? 499 SER A N 1 ATOM 1180 C CA . SER A 1 158 ? 5.039 -16.602 25.396 1.00 27.43 ? 499 SER A CA 1 ATOM 1181 C C . SER A 1 158 ? 4.928 -16.794 23.884 1.00 27.19 ? 499 SER A C 1 ATOM 1182 O O . SER A 1 158 ? 5.892 -17.178 23.227 1.00 27.35 ? 499 SER A O 1 ATOM 1183 C CB . SER A 1 158 ? 4.919 -15.127 25.765 1.00 27.84 ? 499 SER A CB 1 ATOM 1184 O OG . SER A 1 158 ? 5.477 -14.274 24.781 1.00 27.61 ? 499 SER A OG 1 ATOM 1185 N N . ARG A 1 159 ? 3.761 -16.546 23.309 1.00 26.70 ? 500 ARG A N 1 ATOM 1186 C CA . ARG A 1 159 ? 3.658 -16.736 21.869 1.00 26.35 ? 500 ARG A CA 1 ATOM 1187 C C . ARG A 1 159 ? 4.323 -15.582 21.142 1.00 24.61 ? 500 ARG A C 1 ATOM 1188 O O . ARG A 1 159 ? 4.652 -15.682 19.964 1.00 24.73 ? 500 ARG A O 1 ATOM 1189 C CB . ARG A 1 159 ? 2.214 -16.916 21.415 1.00 27.17 ? 500 ARG A CB 1 ATOM 1190 C CG . ARG A 1 159 ? 1.446 -15.633 21.312 1.00 31.34 ? 500 ARG A CG 1 ATOM 1191 C CD . ARG A 1 159 ? 0.463 -15.427 22.435 1.00 37.89 ? 500 ARG A CD 1 ATOM 1192 N NE . ARG A 1 159 ? -0.826 -14.960 21.920 1.00 42.91 ? 500 ARG A NE 1 ATOM 1193 C CZ . ARG A 1 159 ? -1.764 -15.766 21.430 1.00 46.23 ? 500 ARG A CZ 1 ATOM 1194 N NH1 . ARG A 1 159 ? -1.557 -17.083 21.385 1.00 48.12 ? 500 ARG A NH1 1 ATOM 1195 N NH2 . ARG A 1 159 ? -2.912 -15.259 20.993 1.00 47.69 ? 500 ARG A NH2 1 ATOM 1196 N N . LEU A 1 160 ? 4.523 -14.483 21.856 1.00 22.53 ? 501 LEU A N 1 ATOM 1197 C CA . LEU A 1 160 ? 5.237 -13.355 21.295 1.00 20.41 ? 501 LEU A CA 1 ATOM 1198 C C . LEU A 1 160 ? 6.627 -13.794 20.886 1.00 19.45 ? 501 LEU A C 1 ATOM 1199 O O . LEU A 1 160 ? 7.225 -13.196 20.021 1.00 18.65 ? 501 LEU A O 1 ATOM 1200 C CB . LEU A 1 160 ? 5.298 -12.204 22.295 1.00 19.98 ? 501 LEU A CB 1 ATOM 1201 C CG . LEU A 1 160 ? 4.068 -11.310 22.223 1.00 19.10 ? 501 LEU A CG 1 ATOM 1202 C CD1 . LEU A 1 160 ? 4.036 -10.333 23.360 1.00 18.01 ? 501 LEU A CD1 1 ATOM 1203 C CD2 . LEU A 1 160 ? 4.023 -10.570 20.885 1.00 18.60 ? 501 LEU A CD2 1 ATOM 1204 N N . CYS A 1 161 ? 7.132 -14.855 21.508 1.00 19.11 ? 502 CYS A N 1 ATOM 1205 C CA . CYS A 1 161 ? 8.451 -15.402 21.164 1.00 19.01 ? 502 CYS A CA 1 ATOM 1206 C C . CYS A 1 161 ? 8.363 -16.668 20.293 1.00 19.01 ? 502 CYS A C 1 ATOM 1207 O O . CYS A 1 161 ? 9.363 -17.189 19.806 1.00 18.40 ? 502 CYS A O 1 ATOM 1208 C CB . CYS A 1 161 ? 9.272 -15.672 22.431 1.00 18.74 ? 502 CYS A CB 1 ATOM 1209 S SG . CYS A 1 161 ? 9.978 -14.197 23.226 1.00 18.58 ? 502 CYS A SG 1 ATOM 1210 N N . ALA A 1 162 ? 7.149 -17.142 20.078 1.00 19.67 ? 503 ALA A N 1 ATOM 1211 C CA . ALA A 1 162 ? 6.933 -18.373 19.330 1.00 20.50 ? 503 ALA A CA 1 ATOM 1212 C C . ALA A 1 162 ? 7.744 -18.477 18.031 1.00 21.18 ? 503 ALA A C 1 ATOM 1213 O O . ALA A 1 162 ? 8.175 -19.549 17.644 1.00 21.77 ? 503 ALA A O 1 ATOM 1214 C CB . ALA A 1 162 ? 5.446 -18.552 19.049 1.00 20.27 ? 503 ALA A CB 1 ATOM 1215 N N . LEU A 1 163 ? 7.962 -17.358 17.364 1.00 21.93 ? 504 LEU A N 1 ATOM 1216 C CA . LEU A 1 163 ? 8.594 -17.382 16.058 1.00 22.31 ? 504 LEU A CA 1 ATOM 1217 C C . LEU A 1 163 ? 10.108 -17.138 16.043 1.00 22.98 ? 504 LEU A C 1 ATOM 1218 O O . LEU A 1 163 ? 10.740 -17.299 14.991 1.00 23.62 ? 504 LEU A O 1 ATOM 1219 C CB . LEU A 1 163 ? 7.909 -16.354 15.160 1.00 22.23 ? 504 LEU A CB 1 ATOM 1220 C CG . LEU A 1 163 ? 6.754 -16.778 14.256 1.00 22.00 ? 504 LEU A CG 1 ATOM 1221 C CD1 . LEU A 1 163 ? 5.944 -17.913 14.847 1.00 20.94 ? 504 LEU A CD1 1 ATOM 1222 C CD2 . LEU A 1 163 ? 5.892 -15.563 13.945 1.00 20.89 ? 504 LEU A CD2 1 ATOM 1223 N N . CYS A 1 164 ? 10.683 -16.723 17.175 1.00 23.02 ? 505 CYS A N 1 ATOM 1224 C CA . CYS A 1 164 ? 12.116 -16.456 17.266 1.00 22.86 ? 505 CYS A CA 1 ATOM 1225 C C . CYS A 1 164 ? 12.904 -17.750 17.259 1.00 22.94 ? 505 CYS A C 1 ATOM 1226 O O . CYS A 1 164 ? 12.385 -18.792 17.622 1.00 22.62 ? 505 CYS A O 1 ATOM 1227 C CB . CYS A 1 164 ? 12.431 -15.661 18.524 1.00 22.90 ? 505 CYS A CB 1 ATOM 1228 S SG . CYS A 1 164 ? 11.610 -14.051 18.600 1.00 24.61 ? 505 CYS A SG 1 ATOM 1229 N N . ALA A 1 165 ? 14.176 -17.679 16.886 1.00 23.50 ? 506 ALA A N 1 ATOM 1230 C CA . ALA A 1 165 ? 14.955 -18.897 16.678 1.00 23.93 ? 506 ALA A CA 1 ATOM 1231 C C . ALA A 1 165 ? 16.286 -19.044 17.426 1.00 24.63 ? 506 ALA A C 1 ATOM 1232 O O . ALA A 1 165 ? 16.893 -20.117 17.409 1.00 25.23 ? 506 ALA A O 1 ATOM 1233 C CB . ALA A 1 165 ? 15.167 -19.116 15.196 1.00 23.17 ? 506 ALA A CB 1 ATOM 1234 N N . GLY A 1 166 ? 16.754 -18.009 18.090 1.00 25.23 ? 507 GLY A N 1 ATOM 1235 C CA . GLY A 1 166 ? 18.025 -18.157 18.766 1.00 26.81 ? 507 GLY A CA 1 ATOM 1236 C C . GLY A 1 166 ? 19.176 -18.184 17.780 1.00 27.85 ? 507 GLY A C 1 ATOM 1237 O O . GLY A 1 166 ? 18.998 -17.858 16.611 1.00 28.04 ? 507 GLY A O 1 ATOM 1238 N N . ASP A 1 167 ? 20.355 -18.588 18.244 1.00 29.11 ? 508 ASP A N 1 ATOM 1239 C CA . ASP A 1 167 ? 21.562 -18.598 17.405 1.00 30.13 ? 508 ASP A CA 1 ATOM 1240 C C . ASP A 1 167 ? 21.783 -19.885 16.609 1.00 30.61 ? 508 ASP A C 1 ATOM 1241 O O . ASP A 1 167 ? 20.824 -20.578 16.288 1.00 30.40 ? 508 ASP A O 1 ATOM 1242 C CB . ASP A 1 167 ? 22.798 -18.295 18.251 1.00 30.14 ? 508 ASP A CB 1 ATOM 1243 C CG . ASP A 1 167 ? 22.933 -19.224 19.413 1.00 29.97 ? 508 ASP A CG 1 ATOM 1244 O OD1 . ASP A 1 167 ? 22.082 -20.128 19.558 1.00 30.27 ? 508 ASP A OD1 1 ATOM 1245 O OD2 . ASP A 1 167 ? 23.850 -19.120 20.240 1.00 30.83 ? 508 ASP A OD2 1 ATOM 1246 N N . ASP A 1 168 ? 23.049 -20.191 16.298 1.00 31.69 ? 509 ASP A N 1 ATOM 1247 C CA . ASP A 1 168 ? 23.387 -21.383 15.509 1.00 33.08 ? 509 ASP A CA 1 ATOM 1248 C C . ASP A 1 168 ? 22.738 -22.591 16.115 1.00 33.18 ? 509 ASP A C 1 ATOM 1249 O O . ASP A 1 168 ? 22.289 -23.503 15.425 1.00 33.40 ? 509 ASP A O 1 ATOM 1250 C CB . ASP A 1 168 ? 24.883 -21.746 15.523 1.00 33.82 ? 509 ASP A CB 1 ATOM 1251 C CG . ASP A 1 168 ? 25.779 -20.558 15.251 1.00 36.54 ? 509 ASP A CG 1 ATOM 1252 O OD1 . ASP A 1 168 ? 25.488 -19.824 14.290 1.00 39.66 ? 509 ASP A OD1 1 ATOM 1253 O OD2 . ASP A 1 168 ? 26.771 -20.379 16.005 1.00 38.73 ? 509 ASP A OD2 1 ATOM 1254 N N . GLN A 1 169 ? 22.671 -22.623 17.434 1.00 33.12 ? 510 GLN A N 1 ATOM 1255 C CA . GLN A 1 169 ? 22.141 -23.809 18.093 1.00 32.97 ? 510 GLN A CA 1 ATOM 1256 C C . GLN A 1 169 ? 20.706 -23.695 18.573 1.00 32.05 ? 510 GLN A C 1 ATOM 1257 O O . GLN A 1 169 ? 20.160 -24.693 19.043 1.00 32.33 ? 510 GLN A O 1 ATOM 1258 C CB . GLN A 1 169 ? 23.060 -24.157 19.249 1.00 33.55 ? 510 GLN A CB 1 ATOM 1259 C CG . GLN A 1 169 ? 24.426 -23.493 19.148 1.00 35.90 ? 510 GLN A CG 1 ATOM 1260 C CD . GLN A 1 169 ? 25.480 -24.074 20.085 1.00 39.48 ? 510 GLN A CD 1 ATOM 1261 O OE1 . GLN A 1 169 ? 25.607 -25.285 20.208 1.00 41.13 ? 510 GLN A OE1 1 ATOM 1262 N NE2 . GLN A 1 169 ? 26.341 -23.391 20.830 1.00 39.51 ? 510 GLN A NE2 1 ATOM 1263 N N . GLY A 1 170 ? 20.086 -22.539 18.480 1.00 30.79 ? 511 GLY A N 1 ATOM 1264 C CA . GLY A 1 170 ? 18.755 -22.451 19.016 1.00 29.19 ? 511 GLY A CA 1 ATOM 1265 C C . GLY A 1 170 ? 18.874 -22.058 20.478 1.00 28.54 ? 511 GLY A C 1 ATOM 1266 O O . GLY A 1 170 ? 17.917 -22.191 21.255 1.00 28.56 ? 511 GLY A O 1 ATOM 1267 N N . LEU A 1 171 ? 20.051 -21.564 20.867 1.00 27.42 ? 512 LEU A N 1 ATOM 1268 C CA . LEU A 1 171 ? 20.239 -21.049 22.215 1.00 26.56 ? 512 LEU A CA 1 ATOM 1269 C C . LEU A 1 171 ? 19.895 -19.567 22.194 1.00 26.49 ? 512 LEU A C 1 ATOM 1270 O O . LEU A 1 171 ? 19.953 -18.924 21.140 1.00 26.56 ? 512 LEU A O 1 ATOM 1271 C CB . LEU A 1 171 ? 21.677 -21.234 22.698 1.00 26.09 ? 512 LEU A CB 1 ATOM 1272 C CG . LEU A 1 171 ? 22.136 -22.585 23.267 1.00 25.88 ? 512 LEU A CG 1 ATOM 1273 C CD1 . LEU A 1 171 ? 23.449 -22.405 24.008 1.00 26.02 ? 512 LEU A CD1 1 ATOM 1274 C CD2 . LEU A 1 171 ? 21.121 -23.227 24.185 1.00 24.59 ? 512 LEU A CD2 1 ATOM 1275 N N . ASP A 1 172 ? 19.520 -19.018 23.343 1.00 25.78 ? 513 ASP A N 1 ATOM 1276 C CA . ASP A 1 172 ? 19.267 -17.592 23.406 1.00 25.22 ? 513 ASP A CA 1 ATOM 1277 C C . ASP A 1 172 ? 18.020 -17.118 22.657 1.00 24.70 ? 513 ASP A C 1 ATOM 1278 O O . ASP A 1 172 ? 17.939 -15.962 22.236 1.00 24.66 ? 513 ASP A O 1 ATOM 1279 C CB . ASP A 1 172 ? 20.487 -16.856 22.891 1.00 25.48 ? 513 ASP A CB 1 ATOM 1280 C CG . ASP A 1 172 ? 21.371 -16.401 24.001 1.00 27.43 ? 513 ASP A CG 1 ATOM 1281 O OD1 . ASP A 1 172 ? 20.857 -16.371 25.130 1.00 31.35 ? 513 ASP A OD1 1 ATOM 1282 O OD2 . ASP A 1 172 ? 22.562 -16.040 23.871 1.00 28.71 ? 513 ASP A OD2 1 ATOM 1283 N N . LYS A 1 173 ? 17.037 -18.001 22.520 1.00 23.87 ? 514 LYS A N 1 ATOM 1284 C CA . LYS A 1 173 ? 15.810 -17.678 21.806 1.00 22.93 ? 514 LYS A CA 1 ATOM 1285 C C . LYS A 1 173 ? 15.195 -16.370 22.270 1.00 21.77 ? 514 LYS A C 1 ATOM 1286 O O . LYS A 1 173 ? 15.084 -16.112 23.454 1.00 21.56 ? 514 LYS A O 1 ATOM 1287 C CB . LYS A 1 173 ? 14.804 -18.811 21.972 1.00 23.29 ? 514 LYS A CB 1 ATOM 1288 C CG . LYS A 1 173 ? 13.442 -18.542 21.354 1.00 24.92 ? 514 LYS A CG 1 ATOM 1289 C CD . LYS A 1 173 ? 12.698 -19.855 21.153 1.00 28.99 ? 514 LYS A CD 1 ATOM 1290 C CE . LYS A 1 173 ? 13.367 -20.660 20.020 1.00 31.10 ? 514 LYS A CE 1 ATOM 1291 N NZ . LYS A 1 173 ? 13.353 -22.136 20.242 1.00 32.85 ? 514 LYS A NZ 1 ATOM 1292 N N . CYS A 1 174 ? 14.817 -15.532 21.323 1.00 20.49 ? 515 CYS A N 1 ATOM 1293 C CA . CYS A 1 174 ? 14.135 -14.293 21.646 1.00 19.12 ? 515 CYS A CA 1 ATOM 1294 C C . CYS A 1 174 ? 14.929 -13.197 22.373 1.00 19.26 ? 515 CYS A C 1 ATOM 1295 O O . CYS A 1 174 ? 14.361 -12.146 22.678 1.00 18.73 ? 515 CYS A O 1 ATOM 1296 C CB . CYS A 1 174 ? 12.869 -14.604 22.426 1.00 18.81 ? 515 CYS A CB 1 ATOM 1297 S SG . CYS A 1 174 ? 11.494 -13.494 22.093 1.00 16.35 ? 515 CYS A SG 1 ATOM 1298 N N . VAL A 1 175 ? 16.211 -13.395 22.667 1.00 19.39 ? 516 VAL A N 1 ATOM 1299 C CA . VAL A 1 175 ? 16.901 -12.301 23.349 1.00 20.48 ? 516 VAL A CA 1 ATOM 1300 C C . VAL A 1 175 ? 16.984 -11.112 22.422 1.00 20.58 ? 516 VAL A C 1 ATOM 1301 O O . VAL A 1 175 ? 17.070 -11.259 21.212 1.00 21.13 ? 516 VAL A O 1 ATOM 1302 C CB . VAL A 1 175 ? 18.306 -12.643 23.898 1.00 20.97 ? 516 VAL A CB 1 ATOM 1303 C CG1 . VAL A 1 175 ? 18.237 -13.814 24.882 1.00 20.56 ? 516 VAL A CG1 1 ATOM 1304 C CG2 . VAL A 1 175 ? 19.320 -12.864 22.759 1.00 21.52 ? 516 VAL A CG2 1 ATOM 1305 N N . PRO A 1 176 ? 16.926 -9.920 22.985 1.00 20.70 ? 517 PRO A N 1 ATOM 1306 C CA . PRO A 1 176 ? 16.932 -8.711 22.171 1.00 20.34 ? 517 PRO A CA 1 ATOM 1307 C C . PRO A 1 176 ? 18.336 -8.230 21.943 1.00 20.18 ? 517 PRO A C 1 ATOM 1308 O O . PRO A 1 176 ? 18.692 -7.118 22.346 1.00 20.50 ? 517 PRO A O 1 ATOM 1309 C CB . PRO A 1 176 ? 16.184 -7.732 23.047 1.00 20.40 ? 517 PRO A CB 1 ATOM 1310 C CG . PRO A 1 176 ? 16.685 -8.074 24.392 1.00 20.53 ? 517 PRO A CG 1 ATOM 1311 C CD . PRO A 1 176 ? 16.842 -9.605 24.424 1.00 20.64 ? 517 PRO A CD 1 ATOM 1312 N N . ASN A 1 177 ? 19.178 -9.036 21.260 1.00 19.71 ? 518 ASN A N 1 ATOM 1313 C CA . ASN A 1 177 ? 20.536 -8.605 20.817 1.00 18.92 ? 518 ASN A CA 1 ATOM 1314 C C . ASN A 1 177 ? 20.709 -9.188 19.322 1.00 18.39 ? 518 ASN A C 1 ATOM 1315 O O . ASN A 1 177 ? 19.658 -9.561 18.817 1.00 18.63 ? 518 ASN A O 1 ATOM 1316 C CB . ASN A 1 177 ? 21.618 -8.917 21.869 1.00 18.86 ? 518 ASN A CB 1 ATOM 1317 C CG . ASN A 1 177 ? 21.885 -10.345 22.269 1.00 19.84 ? 518 ASN A CG 1 ATOM 1318 O OD1 . ASN A 1 177 ? 21.949 -11.216 21.417 1.00 22.21 ? 518 ASN A OD1 1 ATOM 1319 N ND2 . ASN A 1 177 ? 22.032 -10.575 23.568 1.00 19.59 ? 518 ASN A ND2 1 ATOM 1320 N N . SER A 1 178 ? 21.864 -9.315 18.535 1.00 18.64 ? 519 SER A N 1 ATOM 1321 C CA . SER A 1 178 ? 21.767 -9.839 17.091 1.00 18.02 ? 519 SER A CA 1 ATOM 1322 C C . SER A 1 178 ? 22.129 -11.306 16.994 1.00 17.83 ? 519 SER A C 1 ATOM 1323 O O . SER A 1 178 ? 22.400 -11.883 15.938 1.00 18.62 ? 519 SER A O 1 ATOM 1324 C CB . SER A 1 178 ? 22.686 -9.029 16.153 1.00 17.95 ? 519 SER A CB 1 ATOM 1325 O OG . SER A 1 178 ? 23.633 -9.866 15.512 1.00 17.08 ? 519 SER A OG 1 ATOM 1326 N N . LYS A 1 179 ? 22.060 -11.833 18.197 1.00 17.43 ? 520 LYS A N 1 ATOM 1327 C CA . LYS A 1 179 ? 22.295 -13.195 18.472 1.00 17.41 ? 520 LYS A CA 1 ATOM 1328 C C . LYS A 1 179 ? 21.081 -13.997 18.017 1.00 17.31 ? 520 LYS A C 1 ATOM 1329 O O . LYS A 1 179 ? 21.172 -15.167 17.675 1.00 17.18 ? 520 LYS A O 1 ATOM 1330 C CB . LYS A 1 179 ? 22.584 -13.410 19.949 1.00 17.56 ? 520 LYS A CB 1 ATOM 1331 C CG . LYS A 1 179 ? 24.082 -13.501 20.185 1.00 18.61 ? 520 LYS A CG 1 ATOM 1332 C CD . LYS A 1 179 ? 24.383 -14.203 21.511 1.00 22.83 ? 520 LYS A CD 1 ATOM 1333 C CE . LYS A 1 179 ? 23.713 -15.568 21.551 1.00 23.16 ? 520 LYS A CE 1 ATOM 1334 N NZ . LYS A 1 179 ? 24.472 -16.522 22.412 1.00 24.99 ? 520 LYS A NZ 1 ATOM 1335 N N . GLU A 1 180 ? 19.930 -13.324 18.030 1.00 17.46 ? 521 GLU A N 1 ATOM 1336 C CA . GLU A 1 180 ? 18.652 -13.902 17.625 1.00 17.37 ? 521 GLU A CA 1 ATOM 1337 C C . GLU A 1 180 ? 18.554 -13.728 16.095 1.00 17.19 ? 521 GLU A C 1 ATOM 1338 O O . GLU A 1 180 ? 18.844 -12.655 15.572 1.00 16.85 ? 521 GLU A O 1 ATOM 1339 C CB . GLU A 1 180 ? 17.502 -13.261 18.438 1.00 16.86 ? 521 GLU A CB 1 ATOM 1340 C CG . GLU A 1 180 ? 16.090 -13.297 17.854 1.00 17.29 ? 521 GLU A CG 1 ATOM 1341 C CD . GLU A 1 180 ? 15.472 -14.692 17.745 1.00 17.54 ? 521 GLU A CD 1 ATOM 1342 O OE1 . GLU A 1 180 ? 15.236 -15.354 18.788 1.00 17.38 ? 521 GLU A OE1 1 ATOM 1343 O OE2 . GLU A 1 180 ? 15.192 -15.124 16.603 1.00 14.91 ? 521 GLU A OE2 1 ATOM 1344 N N . LYS A 1 181 ? 18.210 -14.821 15.395 1.00 17.06 ? 522 LYS A N 1 ATOM 1345 C CA . LYS A 1 181 ? 18.109 -14.817 13.975 1.00 17.20 ? 522 LYS A CA 1 ATOM 1346 C C . LYS A 1 181 ? 17.235 -13.651 13.495 1.00 17.12 ? 522 LYS A C 1 ATOM 1347 O O . LYS A 1 181 ? 17.615 -12.908 12.597 1.00 17.10 ? 522 LYS A O 1 ATOM 1348 C CB . LYS A 1 181 ? 17.496 -16.140 13.475 1.00 17.34 ? 522 LYS A CB 1 ATOM 1349 C CG . LYS A 1 181 ? 17.767 -16.523 12.026 1.00 18.77 ? 522 LYS A CG 1 ATOM 1350 C CD . LYS A 1 181 ? 17.265 -17.935 11.746 1.00 21.51 ? 522 LYS A CD 1 ATOM 1351 C CE . LYS A 1 181 ? 17.744 -18.444 10.384 1.00 24.16 ? 522 LYS A CE 1 ATOM 1352 N NZ . LYS A 1 181 ? 17.446 -19.895 10.190 1.00 26.44 ? 522 LYS A NZ 1 ATOM 1353 N N . TYR A 1 182 ? 16.049 -13.509 14.093 1.00 16.82 ? 523 TYR A N 1 ATOM 1354 C CA . TYR A 1 182 ? 15.098 -12.488 13.592 1.00 16.49 ? 523 TYR A CA 1 ATOM 1355 C C . TYR A 1 182 ? 15.168 -11.099 14.255 1.00 16.59 ? 523 TYR A C 1 ATOM 1356 O O . TYR A 1 182 ? 14.334 -10.236 13.989 1.00 16.61 ? 523 TYR A O 1 ATOM 1357 C CB . TYR A 1 182 ? 13.723 -13.146 13.638 1.00 16.35 ? 523 TYR A CB 1 ATOM 1358 C CG . TYR A 1 182 ? 13.677 -14.401 12.778 1.00 17.85 ? 523 TYR A CG 1 ATOM 1359 C CD1 . TYR A 1 182 ? 14.307 -14.392 11.538 1.00 19.60 ? 523 TYR A CD1 1 ATOM 1360 C CD2 . TYR A 1 182 ? 13.031 -15.563 13.173 1.00 19.20 ? 523 TYR A CD2 1 ATOM 1361 C CE1 . TYR A 1 182 ? 14.306 -15.495 10.723 1.00 18.78 ? 523 TYR A CE1 1 ATOM 1362 C CE2 . TYR A 1 182 ? 13.048 -16.703 12.356 1.00 20.39 ? 523 TYR A CE2 1 ATOM 1363 C CZ . TYR A 1 182 ? 13.677 -16.663 11.136 1.00 20.14 ? 523 TYR A CZ 1 ATOM 1364 O OH . TYR A 1 182 ? 13.701 -17.785 10.339 1.00 21.41 ? 523 TYR A OH 1 ATOM 1365 N N . TYR A 1 183 ? 16.217 -10.872 15.109 1.00 15.78 ? 524 TYR A N 1 ATOM 1366 C CA . TYR A 1 183 ? 16.358 -9.602 15.847 1.00 15.49 ? 524 TYR A CA 1 ATOM 1367 C C . TYR A 1 183 ? 16.852 -8.448 15.021 1.00 15.57 ? 524 TYR A C 1 ATOM 1368 O O . TYR A 1 183 ? 17.684 -8.607 14.132 1.00 15.80 ? 524 TYR A O 1 ATOM 1369 C CB . TYR A 1 183 ? 17.303 -9.672 17.005 1.00 15.11 ? 524 TYR A CB 1 ATOM 1370 C CG . TYR A 1 183 ? 17.672 -8.283 17.510 1.00 15.75 ? 524 TYR A CG 1 ATOM 1371 C CD1 . TYR A 1 183 ? 17.094 -7.822 18.680 1.00 17.55 ? 524 TYR A CD1 1 ATOM 1372 C CD2 . TYR A 1 183 ? 18.598 -7.459 16.866 1.00 15.37 ? 524 TYR A CD2 1 ATOM 1373 C CE1 . TYR A 1 183 ? 17.443 -6.588 19.218 1.00 17.71 ? 524 TYR A CE1 1 ATOM 1374 C CE2 . TYR A 1 183 ? 18.955 -6.222 17.405 1.00 14.71 ? 524 TYR A CE2 1 ATOM 1375 C CZ . TYR A 1 183 ? 18.364 -5.797 18.582 1.00 16.53 ? 524 TYR A CZ 1 ATOM 1376 O OH . TYR A 1 183 ? 18.705 -4.576 19.127 1.00 17.91 ? 524 TYR A OH 1 ATOM 1377 N N . GLY A 1 184 ? 16.321 -7.263 15.358 1.00 15.46 ? 525 GLY A N 1 ATOM 1378 C CA . GLY A 1 184 ? 16.743 -6.041 14.681 1.00 15.68 ? 525 GLY A CA 1 ATOM 1379 C C . GLY A 1 184 ? 15.997 -5.812 13.357 1.00 16.27 ? 525 GLY A C 1 ATOM 1380 O O . GLY A 1 184 ? 15.161 -6.610 12.965 1.00 17.29 ? 525 GLY A O 1 ATOM 1381 N N . TYR A 1 185 ? 16.313 -4.718 12.680 1.00 15.94 ? 526 TYR A N 1 ATOM 1382 C CA . TYR A 1 185 ? 15.682 -4.422 11.409 1.00 15.36 ? 526 TYR A CA 1 ATOM 1383 C C . TYR A 1 185 ? 15.833 -5.594 10.423 1.00 15.46 ? 526 TYR A C 1 ATOM 1384 O O . TYR A 1 185 ? 14.874 -5.988 9.760 1.00 15.62 ? 526 TYR A O 1 ATOM 1385 C CB . TYR A 1 185 ? 16.334 -3.187 10.812 1.00 15.49 ? 526 TYR A CB 1 ATOM 1386 C CG . TYR A 1 185 ? 16.001 -1.860 11.471 1.00 15.18 ? 526 TYR A CG 1 ATOM 1387 C CD1 . TYR A 1 185 ? 14.690 -1.409 11.565 1.00 15.48 ? 526 TYR A CD1 1 ATOM 1388 C CD2 . TYR A 1 185 ? 17.003 -1.044 11.951 1.00 15.31 ? 526 TYR A CD2 1 ATOM 1389 C CE1 . TYR A 1 185 ? 14.388 -0.190 12.138 1.00 16.01 ? 526 TYR A CE1 1 ATOM 1390 C CE2 . TYR A 1 185 ? 16.719 0.176 12.523 1.00 16.18 ? 526 TYR A CE2 1 ATOM 1391 C CZ . TYR A 1 185 ? 15.407 0.605 12.615 1.00 16.48 ? 526 TYR A CZ 1 ATOM 1392 O OH . TYR A 1 185 ? 15.113 1.822 13.197 1.00 15.27 ? 526 TYR A OH 1 ATOM 1393 N N . THR A 1 186 ? 17.046 -6.122 10.336 1.00 14.97 ? 527 THR A N 1 ATOM 1394 C CA . THR A 1 186 ? 17.352 -7.195 9.411 1.00 14.82 ? 527 THR A CA 1 ATOM 1395 C C . THR A 1 186 ? 16.699 -8.535 9.801 1.00 14.60 ? 527 THR A C 1 ATOM 1396 O O . THR A 1 186 ? 16.081 -9.208 8.972 1.00 14.10 ? 527 THR A O 1 ATOM 1397 C CB . THR A 1 186 ? 18.858 -7.333 9.314 1.00 14.98 ? 527 THR A CB 1 ATOM 1398 O OG1 . THR A 1 186 ? 19.433 -6.045 9.574 1.00 15.33 ? 527 THR A OG1 1 ATOM 1399 C CG2 . THR A 1 186 ? 19.270 -7.788 7.918 1.00 15.24 ? 527 THR A CG2 1 ATOM 1400 N N . GLY A 1 187 ? 16.846 -8.929 11.059 1.00 14.25 ? 528 GLY A N 1 ATOM 1401 C CA . GLY A 1 187 ? 16.225 -10.154 11.515 1.00 14.22 ? 528 GLY A CA 1 ATOM 1402 C C . GLY A 1 187 ? 14.752 -10.132 11.166 1.00 14.24 ? 528 GLY A C 1 ATOM 1403 O O . GLY A 1 187 ? 14.228 -11.007 10.481 1.00 13.80 ? 528 GLY A O 1 ATOM 1404 N N . ALA A 1 188 ? 14.074 -9.103 11.645 1.00 14.53 ? 529 ALA A N 1 ATOM 1405 C CA . ALA A 1 188 ? 12.660 -8.940 11.361 1.00 14.74 ? 529 ALA A CA 1 ATOM 1406 C C . ALA A 1 188 ? 12.381 -9.159 9.881 1.00 14.96 ? 529 ALA A C 1 ATOM 1407 O O . ALA A 1 188 ? 11.514 -9.925 9.526 1.00 15.92 ? 529 ALA A O 1 ATOM 1408 C CB . ALA A 1 188 ? 12.201 -7.578 11.781 1.00 14.42 ? 529 ALA A CB 1 ATOM 1409 N N . PHE A 1 189 ? 13.116 -8.507 9.003 1.00 14.82 ? 530 PHE A N 1 ATOM 1410 C CA . PHE A 1 189 ? 12.817 -8.670 7.595 1.00 14.79 ? 530 PHE A CA 1 ATOM 1411 C C . PHE A 1 189 ? 13.145 -10.082 7.104 1.00 15.64 ? 530 PHE A C 1 ATOM 1412 O O . PHE A 1 189 ? 12.587 -10.566 6.117 1.00 15.55 ? 530 PHE A O 1 ATOM 1413 C CB . PHE A 1 189 ? 13.592 -7.635 6.784 1.00 14.28 ? 530 PHE A CB 1 ATOM 1414 C CG . PHE A 1 189 ? 13.212 -7.591 5.353 1.00 11.15 ? 530 PHE A CG 1 ATOM 1415 C CD1 . PHE A 1 189 ? 11.957 -7.186 4.982 1.00 10.41 ? 530 PHE A CD1 1 ATOM 1416 C CD2 . PHE A 1 189 ? 14.110 -7.952 4.379 1.00 9.68 ? 530 PHE A CD2 1 ATOM 1417 C CE1 . PHE A 1 189 ? 11.592 -7.140 3.645 1.00 10.93 ? 530 PHE A CE1 1 ATOM 1418 C CE2 . PHE A 1 189 ? 13.756 -7.931 3.036 1.00 9.26 ? 530 PHE A CE2 1 ATOM 1419 C CZ . PHE A 1 189 ? 12.498 -7.519 2.668 1.00 9.15 ? 530 PHE A CZ 1 ATOM 1420 N N . ARG A 1 190 ? 14.073 -10.732 7.786 1.00 16.31 ? 531 ARG A N 1 ATOM 1421 C CA . ARG A 1 190 ? 14.501 -12.043 7.363 1.00 17.13 ? 531 ARG A CA 1 ATOM 1422 C C . ARG A 1 190 ? 13.394 -12.983 7.750 1.00 17.80 ? 531 ARG A C 1 ATOM 1423 O O . ARG A 1 190 ? 13.090 -13.942 7.061 1.00 18.85 ? 531 ARG A O 1 ATOM 1424 C CB . ARG A 1 190 ? 15.785 -12.417 8.064 1.00 16.90 ? 531 ARG A CB 1 ATOM 1425 C CG . ARG A 1 190 ? 16.100 -13.884 8.005 1.00 18.36 ? 531 ARG A CG 1 ATOM 1426 C CD . ARG A 1 190 ? 17.571 -14.200 8.298 1.00 20.12 ? 531 ARG A CD 1 ATOM 1427 N NE . ARG A 1 190 ? 17.976 -15.471 7.711 1.00 20.18 ? 531 ARG A NE 1 ATOM 1428 C CZ . ARG A 1 190 ? 19.058 -16.125 8.064 1.00 20.48 ? 531 ARG A CZ 1 ATOM 1429 N NH1 . ARG A 1 190 ? 19.839 -15.632 9.006 1.00 20.78 ? 531 ARG A NH1 1 ATOM 1430 N NH2 . ARG A 1 190 ? 19.363 -17.269 7.483 1.00 21.65 ? 531 ARG A NH2 1 ATOM 1431 N N . CYS A 1 191 ? 12.785 -12.662 8.873 1.00 18.17 ? 532 CYS A N 1 ATOM 1432 C CA . CYS A 1 191 ? 11.672 -13.383 9.426 1.00 18.32 ? 532 CYS A CA 1 ATOM 1433 C C . CYS A 1 191 ? 10.532 -13.511 8.400 1.00 18.32 ? 532 CYS A C 1 ATOM 1434 O O . CYS A 1 191 ? 9.940 -14.567 8.242 1.00 18.24 ? 532 CYS A O 1 ATOM 1435 C CB . CYS A 1 191 ? 11.244 -12.609 10.662 1.00 17.73 ? 532 CYS A CB 1 ATOM 1436 S SG . CYS A 1 191 ? 9.903 -13.348 11.521 1.00 19.99 ? 532 CYS A SG 1 ATOM 1437 N N . LEU A 1 192 ? 10.235 -12.431 7.684 1.00 18.81 ? 533 LEU A N 1 ATOM 1438 C CA . LEU A 1 192 ? 9.142 -12.444 6.715 1.00 18.68 ? 533 LEU A CA 1 ATOM 1439 C C . LEU A 1 192 ? 9.652 -13.026 5.399 1.00 18.97 ? 533 LEU A C 1 ATOM 1440 O O . LEU A 1 192 ? 9.043 -13.909 4.801 1.00 19.01 ? 533 LEU A O 1 ATOM 1441 C CB . LEU A 1 192 ? 8.582 -11.030 6.526 1.00 18.28 ? 533 LEU A CB 1 ATOM 1442 C CG . LEU A 1 192 ? 7.813 -10.696 5.243 1.00 17.27 ? 533 LEU A CG 1 ATOM 1443 C CD1 . LEU A 1 192 ? 6.318 -10.897 5.402 1.00 14.68 ? 533 LEU A CD1 1 ATOM 1444 C CD2 . LEU A 1 192 ? 8.109 -9.250 4.871 1.00 16.97 ? 533 LEU A CD2 1 ATOM 1445 N N . ALA A 1 193 ? 10.800 -12.543 4.971 1.00 19.35 ? 534 ALA A N 1 ATOM 1446 C CA . ALA A 1 193 ? 11.400 -13.018 3.743 1.00 19.96 ? 534 ALA A CA 1 ATOM 1447 C C . ALA A 1 193 ? 11.346 -14.536 3.640 1.00 20.23 ? 534 ALA A C 1 ATOM 1448 O O . ALA A 1 193 ? 11.043 -15.090 2.573 1.00 19.92 ? 534 ALA A O 1 ATOM 1449 C CB . ALA A 1 193 ? 12.836 -12.541 3.658 1.00 20.17 ? 534 ALA A CB 1 ATOM 1450 N N . GLU A 1 194 ? 11.665 -15.199 4.749 1.00 20.52 ? 535 GLU A N 1 ATOM 1451 C CA . GLU A 1 194 ? 11.665 -16.659 4.806 1.00 20.83 ? 535 GLU A CA 1 ATOM 1452 C C . GLU A 1 194 ? 10.293 -17.183 5.177 1.00 21.09 ? 535 GLU A C 1 ATOM 1453 O O . GLU A 1 194 ? 10.123 -18.364 5.484 1.00 21.64 ? 535 GLU A O 1 ATOM 1454 C CB . GLU A 1 194 ? 12.695 -17.163 5.801 1.00 20.47 ? 535 GLU A CB 1 ATOM 1455 C CG . GLU A 1 194 ? 14.043 -16.516 5.616 1.00 21.44 ? 535 GLU A CG 1 ATOM 1456 C CD . GLU A 1 194 ? 15.116 -17.206 6.404 1.00 22.43 ? 535 GLU A CD 1 ATOM 1457 O OE1 . GLU A 1 194 ? 14.832 -17.641 7.537 1.00 23.09 ? 535 GLU A OE1 1 ATOM 1458 O OE2 . GLU A 1 194 ? 16.243 -17.319 5.879 1.00 24.65 ? 535 GLU A OE2 1 ATOM 1459 N N . ASP A 1 195 ? 9.304 -16.307 5.154 1.00 20.81 ? 536 ASP A N 1 ATOM 1460 C CA . ASP A 1 195 ? 7.943 -16.748 5.401 1.00 20.89 ? 536 ASP A CA 1 ATOM 1461 C C . ASP A 1 195 ? 7.732 -17.395 6.746 1.00 20.34 ? 536 ASP A C 1 ATOM 1462 O O . ASP A 1 195 ? 6.975 -18.333 6.853 1.00 20.59 ? 536 ASP A O 1 ATOM 1463 C CB . ASP A 1 195 ? 7.462 -17.671 4.283 1.00 20.87 ? 536 ASP A CB 1 ATOM 1464 C CG . ASP A 1 195 ? 7.116 -16.900 3.029 1.00 22.17 ? 536 ASP A CG 1 ATOM 1465 O OD1 . ASP A 1 195 ? 6.382 -15.902 3.152 1.00 25.06 ? 536 ASP A OD1 1 ATOM 1466 O OD2 . ASP A 1 195 ? 7.549 -17.160 1.891 1.00 24.02 ? 536 ASP A OD2 1 ATOM 1467 N N . VAL A 1 196 ? 8.418 -16.883 7.761 1.00 19.93 ? 537 VAL A N 1 ATOM 1468 C CA . VAL A 1 196 ? 8.188 -17.294 9.138 1.00 19.37 ? 537 VAL A CA 1 ATOM 1469 C C . VAL A 1 196 ? 6.991 -16.481 9.615 1.00 19.31 ? 537 VAL A C 1 ATOM 1470 O O . VAL A 1 196 ? 6.028 -17.014 10.176 1.00 19.77 ? 537 VAL A O 1 ATOM 1471 C CB . VAL A 1 196 ? 9.427 -17.046 10.008 1.00 19.09 ? 537 VAL A CB 1 ATOM 1472 C CG1 . VAL A 1 196 ? 9.094 -17.047 11.474 1.00 18.95 ? 537 VAL A CG1 1 ATOM 1473 C CG2 . VAL A 1 196 ? 10.483 -18.096 9.699 1.00 18.78 ? 537 VAL A CG2 1 ATOM 1474 N N . GLY A 1 197 ? 7.029 -15.187 9.348 1.00 19.02 ? 538 GLY A N 1 ATOM 1475 C CA . GLY A 1 197 ? 5.906 -14.335 9.683 1.00 18.41 ? 538 GLY A CA 1 ATOM 1476 C C . GLY A 1 197 ? 5.127 -13.940 8.445 1.00 17.91 ? 538 GLY A C 1 ATOM 1477 O O . GLY A 1 197 ? 5.586 -14.092 7.329 1.00 17.68 ? 538 GLY A O 1 ATOM 1478 N N . ASP A 1 198 ? 3.926 -13.439 8.652 1.00 17.92 ? 539 ASP A N 1 ATOM 1479 C CA . ASP A 1 198 ? 3.121 -12.932 7.563 1.00 18.00 ? 539 ASP A CA 1 ATOM 1480 C C . ASP A 1 198 ? 3.444 -11.466 7.329 1.00 17.85 ? 539 ASP A C 1 ATOM 1481 O O . ASP A 1 198 ? 3.167 -10.927 6.260 1.00 17.75 ? 539 ASP A O 1 ATOM 1482 C CB . ASP A 1 198 ? 1.653 -12.990 7.960 1.00 18.31 ? 539 ASP A CB 1 ATOM 1483 C CG . ASP A 1 198 ? 1.097 -14.378 7.911 1.00 18.91 ? 539 ASP A CG 1 ATOM 1484 O OD1 . ASP A 1 198 ? 1.360 -15.099 6.907 1.00 18.96 ? 539 ASP A OD1 1 ATOM 1485 O OD2 . ASP A 1 198 ? 0.376 -14.815 8.832 1.00 19.90 ? 539 ASP A OD2 1 ATOM 1486 N N . VAL A 1 199 ? 4.017 -10.832 8.354 1.00 17.77 ? 540 VAL A N 1 ATOM 1487 C CA . VAL A 1 199 ? 4.269 -9.398 8.358 1.00 17.05 ? 540 VAL A CA 1 ATOM 1488 C C . VAL A 1 199 ? 5.438 -8.967 9.249 1.00 16.75 ? 540 VAL A C 1 ATOM 1489 O O . VAL A 1 199 ? 5.683 -9.526 10.321 1.00 16.63 ? 540 VAL A O 1 ATOM 1490 C CB . VAL A 1 199 ? 2.996 -8.653 8.779 1.00 16.96 ? 540 VAL A CB 1 ATOM 1491 C CG1 . VAL A 1 199 ? 2.423 -9.257 10.066 1.00 17.09 ? 540 VAL A CG1 1 ATOM 1492 C CG2 . VAL A 1 199 ? 3.273 -7.204 8.937 1.00 17.04 ? 540 VAL A CG2 1 ATOM 1493 N N . ALA A 1 200 ? 6.159 -7.965 8.763 1.00 16.43 ? 541 ALA A N 1 ATOM 1494 C CA . ALA A 1 200 ? 7.333 -7.425 9.418 1.00 16.19 ? 541 ALA A CA 1 ATOM 1495 C C . ALA A 1 200 ? 7.194 -5.924 9.567 1.00 16.54 ? 541 ALA A C 1 ATOM 1496 O O . ALA A 1 200 ? 6.884 -5.191 8.594 1.00 16.31 ? 541 ALA A O 1 ATOM 1497 C CB . ALA A 1 200 ? 8.574 -7.727 8.613 1.00 16.05 ? 541 ALA A CB 1 ATOM 1498 N N . PHE A 1 201 ? 7.433 -5.473 10.796 1.00 16.38 ? 542 PHE A N 1 ATOM 1499 C CA . PHE A 1 201 ? 7.394 -4.070 11.113 1.00 16.18 ? 542 PHE A CA 1 ATOM 1500 C C . PHE A 1 201 ? 8.796 -3.572 11.221 1.00 16.74 ? 542 PHE A C 1 ATOM 1501 O O . PHE A 1 201 ? 9.466 -3.798 12.221 1.00 17.00 ? 542 PHE A O 1 ATOM 1502 C CB . PHE A 1 201 ? 6.745 -3.832 12.445 1.00 15.82 ? 542 PHE A CB 1 ATOM 1503 C CG . PHE A 1 201 ? 5.353 -4.335 12.445 1.00 15.64 ? 542 PHE A CG 1 ATOM 1504 C CD1 . PHE A 1 201 ? 4.412 -3.628 11.734 1.00 14.49 ? 542 PHE A CD1 1 ATOM 1505 C CD2 . PHE A 1 201 ? 4.980 -5.491 13.089 1.00 16.13 ? 542 PHE A CD2 1 ATOM 1506 C CE1 . PHE A 1 201 ? 3.114 -4.035 11.698 1.00 14.84 ? 542 PHE A CE1 1 ATOM 1507 C CE2 . PHE A 1 201 ? 3.676 -5.903 13.056 1.00 16.76 ? 542 PHE A CE2 1 ATOM 1508 C CZ . PHE A 1 201 ? 2.738 -5.166 12.360 1.00 15.96 ? 542 PHE A CZ 1 ATOM 1509 N N . VAL A 1 202 ? 9.246 -2.882 10.157 1.00 16.84 ? 543 VAL A N 1 ATOM 1510 C CA . VAL A 1 202 ? 10.591 -2.340 10.021 1.00 17.25 ? 543 VAL A CA 1 ATOM 1511 C C . VAL A 1 202 ? 10.554 -1.026 9.280 1.00 17.73 ? 543 VAL A C 1 ATOM 1512 O O . VAL A 1 202 ? 9.487 -0.618 8.801 1.00 18.30 ? 543 VAL A O 1 ATOM 1513 C CB . VAL A 1 202 ? 11.507 -3.210 9.172 1.00 17.01 ? 543 VAL A CB 1 ATOM 1514 C CG1 . VAL A 1 202 ? 11.611 -4.632 9.736 1.00 16.16 ? 543 VAL A CG1 1 ATOM 1515 C CG2 . VAL A 1 202 ? 11.026 -3.252 7.727 1.00 17.11 ? 543 VAL A CG2 1 ATOM 1516 N N . LYS A 1 203 ? 11.687 -0.367 9.185 1.00 18.11 ? 544 LYS A N 1 ATOM 1517 C CA . LYS A 1 203 ? 11.660 0.894 8.477 1.00 18.95 ? 544 LYS A CA 1 ATOM 1518 C C . LYS A 1 203 ? 11.700 0.703 6.967 1.00 19.40 ? 544 LYS A C 1 ATOM 1519 O O . LYS A 1 203 ? 11.985 -0.398 6.496 1.00 19.93 ? 544 LYS A O 1 ATOM 1520 C CB . LYS A 1 203 ? 12.823 1.797 8.946 1.00 19.26 ? 544 LYS A CB 1 ATOM 1521 C CG . LYS A 1 203 ? 14.199 1.332 8.512 1.00 19.10 ? 544 LYS A CG 1 ATOM 1522 C CD . LYS A 1 203 ? 15.267 2.212 9.134 1.00 19.78 ? 544 LYS A CD 1 ATOM 1523 C CE . LYS A 1 203 ? 16.644 1.553 9.059 1.00 19.65 ? 544 LYS A CE 1 ATOM 1524 N NZ . LYS A 1 203 ? 17.711 2.426 9.632 1.00 18.60 ? 544 LYS A NZ 1 ATOM 1525 N N . ASN A 1 204 ? 11.431 1.765 6.219 1.00 20.02 ? 545 ASN A N 1 ATOM 1526 C CA . ASN A 1 204 ? 11.447 1.744 4.758 1.00 20.95 ? 545 ASN A CA 1 ATOM 1527 C C . ASN A 1 204 ? 12.790 1.307 4.225 1.00 20.95 ? 545 ASN A C 1 ATOM 1528 O O . ASN A 1 204 ? 12.865 0.489 3.330 1.00 20.93 ? 545 ASN A O 1 ATOM 1529 C CB . ASN A 1 204 ? 11.118 3.151 4.204 1.00 21.29 ? 545 ASN A CB 1 ATOM 1530 C CG . ASN A 1 204 ? 11.480 3.333 2.705 1.00 24.25 ? 545 ASN A CG 1 ATOM 1531 O OD1 . ASN A 1 204 ? 10.947 2.613 1.831 1.00 25.06 ? 545 ASN A OD1 1 ATOM 1532 N ND2 . ASN A 1 204 ? 12.329 4.379 2.412 1.00 27.50 ? 545 ASN A ND2 1 ATOM 1533 N N . ASP A 1 205 ? 13.857 1.840 4.798 1.00 21.28 ? 546 ASP A N 1 ATOM 1534 C CA . ASP A 1 205 ? 15.187 1.612 4.267 1.00 21.72 ? 546 ASP A CA 1 ATOM 1535 C C . ASP A 1 205 ? 15.526 0.150 4.216 1.00 22.47 ? 546 ASP A C 1 ATOM 1536 O O . ASP A 1 205 ? 16.256 -0.315 3.333 1.00 22.91 ? 546 ASP A O 1 ATOM 1537 C CB . ASP A 1 205 ? 16.213 2.352 5.109 1.00 21.55 ? 546 ASP A CB 1 ATOM 1538 C CG . ASP A 1 205 ? 15.829 3.803 5.337 1.00 22.64 ? 546 ASP A CG 1 ATOM 1539 O OD1 . ASP A 1 205 ? 14.897 4.072 6.136 1.00 23.33 ? 546 ASP A OD1 1 ATOM 1540 O OD2 . ASP A 1 205 ? 16.394 4.746 4.747 1.00 23.23 ? 546 ASP A OD2 1 ATOM 1541 N N . THR A 1 206 ? 14.966 -0.587 5.157 1.00 23.02 ? 547 THR A N 1 ATOM 1542 C CA . THR A 1 206 ? 15.293 -1.985 5.308 1.00 23.25 ? 547 THR A CA 1 ATOM 1543 C C . THR A 1 206 ? 14.855 -2.857 4.143 1.00 23.75 ? 547 THR A C 1 ATOM 1544 O O . THR A 1 206 ? 15.552 -3.802 3.793 1.00 23.47 ? 547 THR A O 1 ATOM 1545 C CB . THR A 1 206 ? 14.734 -2.487 6.653 1.00 23.40 ? 547 THR A CB 1 ATOM 1546 O OG1 . THR A 1 206 ? 15.315 -1.710 7.709 1.00 23.08 ? 547 THR A OG1 1 ATOM 1547 C CG2 . THR A 1 206 ? 15.212 -3.912 6.951 1.00 22.43 ? 547 THR A CG2 1 ATOM 1548 N N . VAL A 1 207 ? 13.707 -2.555 3.545 1.00 24.79 ? 548 VAL A N 1 ATOM 1549 C CA . VAL A 1 207 ? 13.246 -3.337 2.399 1.00 25.84 ? 548 VAL A CA 1 ATOM 1550 C C . VAL A 1 207 ? 14.207 -3.121 1.245 1.00 26.47 ? 548 VAL A C 1 ATOM 1551 O O . VAL A 1 207 ? 14.621 -4.068 0.581 1.00 25.96 ? 548 VAL A O 1 ATOM 1552 C CB . VAL A 1 207 ? 11.840 -2.934 1.921 1.00 25.91 ? 548 VAL A CB 1 ATOM 1553 C CG1 . VAL A 1 207 ? 11.430 -3.776 0.718 1.00 26.11 ? 548 VAL A CG1 1 ATOM 1554 C CG2 . VAL A 1 207 ? 10.835 -3.077 3.032 1.00 25.24 ? 548 VAL A CG2 1 ATOM 1555 N N . TRP A 1 208 ? 14.574 -1.865 1.021 1.00 27.59 ? 549 TRP A N 1 ATOM 1556 C CA . TRP A 1 208 ? 15.469 -1.527 -0.077 1.00 29.03 ? 549 TRP A CA 1 ATOM 1557 C C . TRP A 1 208 ? 16.891 -2.046 0.076 1.00 29.48 ? 549 TRP A C 1 ATOM 1558 O O . TRP A 1 208 ? 17.527 -2.358 -0.915 1.00 29.90 ? 549 TRP A O 1 ATOM 1559 C CB . TRP A 1 208 ? 15.533 -0.021 -0.267 1.00 29.02 ? 549 TRP A CB 1 ATOM 1560 C CG . TRP A 1 208 ? 14.315 0.587 -0.829 1.00 30.91 ? 549 TRP A CG 1 ATOM 1561 C CD1 . TRP A 1 208 ? 13.164 0.899 -0.161 1.00 31.56 ? 549 TRP A CD1 1 ATOM 1562 C CD2 . TRP A 1 208 ? 14.124 1.012 -2.178 1.00 33.40 ? 549 TRP A CD2 1 ATOM 1563 N NE1 . TRP A 1 208 ? 12.263 1.482 -1.021 1.00 32.90 ? 549 TRP A NE1 1 ATOM 1564 C CE2 . TRP A 1 208 ? 12.831 1.567 -2.267 1.00 33.86 ? 549 TRP A CE2 1 ATOM 1565 C CE3 . TRP A 1 208 ? 14.917 0.972 -3.334 1.00 34.81 ? 549 TRP A CE3 1 ATOM 1566 C CZ2 . TRP A 1 208 ? 12.319 2.077 -3.454 1.00 34.87 ? 549 TRP A CZ2 1 ATOM 1567 C CZ3 . TRP A 1 208 ? 14.408 1.475 -4.509 1.00 35.37 ? 549 TRP A CZ3 1 ATOM 1568 C CH2 . TRP A 1 208 ? 13.122 2.026 -4.562 1.00 35.76 ? 549 TRP A CH2 1 ATOM 1569 N N . GLU A 1 209 ? 17.404 -2.091 1.303 1.00 30.36 ? 550 GLU A N 1 ATOM 1570 C CA . GLU A 1 209 ? 18.787 -2.514 1.541 1.00 31.00 ? 550 GLU A CA 1 ATOM 1571 C C . GLU A 1 209 ? 18.995 -4.034 1.468 1.00 31.33 ? 550 GLU A C 1 ATOM 1572 O O . GLU A 1 209 ? 20.131 -4.508 1.399 1.00 31.53 ? 550 GLU A O 1 ATOM 1573 C CB . GLU A 1 209 ? 19.284 -2.006 2.903 1.00 30.98 ? 550 GLU A CB 1 ATOM 1574 C CG . GLU A 1 209 ? 19.938 -0.633 2.905 1.00 32.09 ? 550 GLU A CG 1 ATOM 1575 C CD . GLU A 1 209 ? 20.149 -0.084 4.315 1.00 34.40 ? 550 GLU A CD 1 ATOM 1576 O OE1 . GLU A 1 209 ? 20.673 -0.828 5.177 1.00 34.60 ? 550 GLU A OE1 1 ATOM 1577 O OE2 . GLU A 1 209 ? 19.788 1.094 4.568 1.00 35.61 ? 550 GLU A OE2 1 ATOM 1578 N N . ASN A 1 210 ? 17.912 -4.804 1.495 1.00 31.54 ? 551 ASN A N 1 ATOM 1579 C CA . ASN A 1 210 ? 18.043 -6.268 1.461 1.00 31.70 ? 551 ASN A CA 1 ATOM 1580 C C . ASN A 1 210 ? 17.445 -6.945 0.238 1.00 31.90 ? 551 ASN A C 1 ATOM 1581 O O . ASN A 1 210 ? 17.364 -8.149 0.196 1.00 31.81 ? 551 ASN A O 1 ATOM 1582 C CB . ASN A 1 210 ? 17.497 -6.894 2.746 1.00 31.66 ? 551 ASN A CB 1 ATOM 1583 C CG . ASN A 1 210 ? 18.171 -6.337 3.983 1.00 30.92 ? 551 ASN A CG 1 ATOM 1584 O OD1 . ASN A 1 210 ? 19.259 -6.760 4.344 1.00 30.21 ? 551 ASN A OD1 1 ATOM 1585 N ND2 . ASN A 1 210 ? 17.543 -5.361 4.611 1.00 29.68 ? 551 ASN A ND2 1 ATOM 1586 N N . THR A 1 211 ? 17.040 -6.170 -0.761 1.00 32.46 ? 552 THR A N 1 ATOM 1587 C CA . THR A 1 211 ? 16.471 -6.742 -1.976 1.00 32.51 ? 552 THR A CA 1 ATOM 1588 C C . THR A 1 211 ? 17.321 -6.323 -3.162 1.00 33.32 ? 552 THR A C 1 ATOM 1589 O O . THR A 1 211 ? 18.210 -5.473 -3.027 1.00 33.41 ? 552 THR A O 1 ATOM 1590 C CB . THR A 1 211 ? 15.040 -6.237 -2.185 1.00 32.43 ? 552 THR A CB 1 ATOM 1591 O OG1 . THR A 1 211 ? 15.024 -4.813 -2.046 1.00 31.40 ? 552 THR A OG1 1 ATOM 1592 C CG2 . THR A 1 211 ? 14.106 -6.724 -1.077 1.00 31.30 ? 552 THR A CG2 1 ATOM 1593 N N . ASN A 1 212 ? 17.050 -6.926 -4.321 1.00 33.90 ? 553 ASN A N 1 ATOM 1594 C CA . ASN A 1 212 ? 17.731 -6.569 -5.573 1.00 34.23 ? 553 ASN A CA 1 ATOM 1595 C C . ASN A 1 212 ? 19.255 -6.559 -5.469 1.00 34.14 ? 553 ASN A C 1 ATOM 1596 O O . ASN A 1 212 ? 19.919 -5.639 -5.959 1.00 33.57 ? 553 ASN A O 1 ATOM 1597 C CB . ASN A 1 212 ? 17.219 -5.225 -6.104 1.00 34.46 ? 553 ASN A CB 1 ATOM 1598 C CG . ASN A 1 212 ? 15.749 -5.280 -6.557 1.00 36.03 ? 553 ASN A CG 1 ATOM 1599 O OD1 . ASN A 1 212 ? 14.876 -5.837 -5.867 1.00 35.67 ? 553 ASN A OD1 1 ATOM 1600 N ND2 . ASN A 1 212 ? 15.473 -4.685 -7.723 1.00 37.98 ? 553 ASN A ND2 1 ATOM 1601 N N . GLY A 1 213 ? 19.794 -7.593 -4.823 1.00 34.22 ? 554 GLY A N 1 ATOM 1602 C CA . GLY A 1 213 ? 21.228 -7.757 -4.671 1.00 34.48 ? 554 GLY A CA 1 ATOM 1603 C C . GLY A 1 213 ? 21.967 -6.682 -3.894 1.00 34.67 ? 554 GLY A C 1 ATOM 1604 O O . GLY A 1 213 ? 23.143 -6.455 -4.102 1.00 34.52 ? 554 GLY A O 1 ATOM 1605 N N . GLU A 1 214 ? 21.286 -6.017 -2.980 1.00 35.15 ? 555 GLU A N 1 ATOM 1606 C CA . GLU A 1 214 ? 21.938 -4.993 -2.192 1.00 35.64 ? 555 GLU A CA 1 ATOM 1607 C C . GLU A 1 214 ? 22.707 -5.607 -1.017 1.00 36.32 ? 555 GLU A C 1 ATOM 1608 O O . GLU A 1 214 ? 23.745 -5.086 -0.600 1.00 36.30 ? 555 GLU A O 1 ATOM 1609 C CB . GLU A 1 214 ? 20.885 -4.018 -1.673 1.00 35.73 ? 555 GLU A CB 1 ATOM 1610 C CG . GLU A 1 214 ? 20.491 -2.942 -2.655 1.00 35.55 ? 555 GLU A CG 1 ATOM 1611 C CD . GLU A 1 214 ? 21.638 -2.005 -2.863 1.00 36.96 ? 555 GLU A CD 1 ATOM 1612 O OE1 . GLU A 1 214 ? 21.572 -0.844 -2.425 1.00 38.17 ? 555 GLU A OE1 1 ATOM 1613 O OE2 . GLU A 1 214 ? 22.631 -2.456 -3.439 1.00 38.88 ? 555 GLU A OE2 1 ATOM 1614 N N . SER A 1 215 ? 22.200 -6.724 -0.497 1.00 36.99 ? 556 SER A N 1 ATOM 1615 C CA . SER A 1 215 ? 22.754 -7.343 0.708 1.00 37.67 ? 556 SER A CA 1 ATOM 1616 C C . SER A 1 215 ? 23.727 -8.508 0.513 1.00 38.20 ? 556 SER A C 1 ATOM 1617 O O . SER A 1 215 ? 24.666 -8.654 1.295 1.00 38.77 ? 556 SER A O 1 ATOM 1618 C CB . SER A 1 215 ? 21.624 -7.769 1.652 1.00 37.85 ? 556 SER A CB 1 ATOM 1619 O OG . SER A 1 215 ? 22.012 -8.888 2.441 1.00 37.85 ? 556 SER A OG 1 ATOM 1620 N N . THR A 1 216 ? 23.488 -9.346 -0.494 1.00 38.40 ? 557 THR A N 1 ATOM 1621 C CA . THR A 1 216 ? 24.363 -10.494 -0.817 1.00 38.76 ? 557 THR A CA 1 ATOM 1622 C C . THR A 1 216 ? 24.335 -11.680 0.171 1.00 38.98 ? 557 THR A C 1 ATOM 1623 O O . THR A 1 216 ? 24.936 -12.729 -0.084 1.00 39.45 ? 557 THR A O 1 ATOM 1624 C CB . THR A 1 216 ? 25.824 -10.043 -1.069 1.00 38.76 ? 557 THR A CB 1 ATOM 1625 O OG1 . THR A 1 216 ? 26.591 -10.178 0.134 1.00 38.43 ? 557 THR A OG1 1 ATOM 1626 C CG2 . THR A 1 216 ? 25.886 -8.545 -1.394 1.00 39.12 ? 557 THR A CG2 1 ATOM 1627 N N . ALA A 1 217 ? 23.644 -11.518 1.292 1.00 38.95 ? 558 ALA A N 1 ATOM 1628 C CA . ALA A 1 217 ? 23.518 -12.597 2.255 1.00 38.80 ? 558 ALA A CA 1 ATOM 1629 C C . ALA A 1 217 ? 22.636 -13.699 1.658 1.00 38.79 ? 558 ALA A C 1 ATOM 1630 O O . ALA A 1 217 ? 21.606 -13.427 1.050 1.00 38.98 ? 558 ALA A O 1 ATOM 1631 C CB . ALA A 1 217 ? 22.947 -12.074 3.561 1.00 38.51 ? 558 ALA A CB 1 ATOM 1632 N N . ASP A 1 218 ? 23.051 -14.943 1.821 1.00 38.88 ? 559 ASP A N 1 ATOM 1633 C CA . ASP A 1 218 ? 22.339 -16.080 1.227 1.00 39.21 ? 559 ASP A CA 1 ATOM 1634 C C . ASP A 1 218 ? 20.803 -16.068 1.289 1.00 38.42 ? 559 ASP A C 1 ATOM 1635 O O . ASP A 1 218 ? 20.174 -16.744 0.483 1.00 38.77 ? 559 ASP A O 1 ATOM 1636 C CB . ASP A 1 218 ? 22.867 -17.395 1.808 1.00 39.69 ? 559 ASP A CB 1 ATOM 1637 C CG . ASP A 1 218 ? 23.267 -17.244 3.244 1.00 42.33 ? 559 ASP A CG 1 ATOM 1638 O OD1 . ASP A 1 218 ? 24.479 -17.057 3.507 1.00 44.48 ? 559 ASP A OD1 1 ATOM 1639 O OD2 . ASP A 1 218 ? 22.429 -17.251 4.175 1.00 45.05 ? 559 ASP A OD2 1 ATOM 1640 N N . TRP A 1 219 ? 20.188 -15.357 2.232 1.00 37.40 ? 560 TRP A N 1 ATOM 1641 C CA . TRP A 1 219 ? 18.721 -15.366 2.284 1.00 36.64 ? 560 TRP A CA 1 ATOM 1642 C C . TRP A 1 219 ? 18.198 -14.155 1.544 1.00 36.38 ? 560 TRP A C 1 ATOM 1643 O O . TRP A 1 219 ? 17.059 -14.144 1.083 1.00 36.84 ? 560 TRP A O 1 ATOM 1644 C CB . TRP A 1 219 ? 18.191 -15.398 3.728 1.00 36.41 ? 560 TRP A CB 1 ATOM 1645 C CG . TRP A 1 219 ? 18.810 -14.338 4.528 1.00 35.42 ? 560 TRP A CG 1 ATOM 1646 C CD1 . TRP A 1 219 ? 19.994 -14.406 5.177 1.00 34.63 ? 560 TRP A CD1 1 ATOM 1647 C CD2 . TRP A 1 219 ? 18.325 -13.008 4.712 1.00 34.32 ? 560 TRP A CD2 1 ATOM 1648 N NE1 . TRP A 1 219 ? 20.277 -13.203 5.773 1.00 34.10 ? 560 TRP A NE1 1 ATOM 1649 C CE2 . TRP A 1 219 ? 19.264 -12.326 5.501 1.00 34.17 ? 560 TRP A CE2 1 ATOM 1650 C CE3 . TRP A 1 219 ? 17.181 -12.319 4.290 1.00 34.51 ? 560 TRP A CE3 1 ATOM 1651 C CZ2 . TRP A 1 219 ? 19.101 -10.990 5.883 1.00 35.16 ? 560 TRP A CZ2 1 ATOM 1652 C CZ3 . TRP A 1 219 ? 17.017 -10.990 4.670 1.00 33.86 ? 560 TRP A CZ3 1 ATOM 1653 C CH2 . TRP A 1 219 ? 17.974 -10.342 5.461 1.00 34.13 ? 560 TRP A CH2 1 ATOM 1654 N N . ALA A 1 220 ? 19.068 -13.158 1.414 1.00 35.93 ? 561 ALA A N 1 ATOM 1655 C CA . ALA A 1 220 ? 18.752 -11.873 0.789 1.00 35.60 ? 561 ALA A CA 1 ATOM 1656 C C . ALA A 1 220 ? 19.089 -11.833 -0.708 1.00 35.64 ? 561 ALA A C 1 ATOM 1657 O O . ALA A 1 220 ? 18.460 -11.107 -1.486 1.00 35.34 ? 561 ALA A O 1 ATOM 1658 C CB . ALA A 1 220 ? 19.481 -10.762 1.522 1.00 35.28 ? 561 ALA A CB 1 ATOM 1659 N N . LYS A 1 221 ? 20.103 -12.598 -1.091 1.00 35.57 ? 562 LYS A N 1 ATOM 1660 C CA . LYS A 1 221 ? 20.546 -12.686 -2.478 1.00 35.71 ? 562 LYS A CA 1 ATOM 1661 C C . LYS A 1 221 ? 19.412 -12.611 -3.489 1.00 35.43 ? 562 LYS A C 1 ATOM 1662 O O . LYS A 1 221 ? 19.296 -11.631 -4.243 1.00 35.47 ? 562 LYS A O 1 ATOM 1663 C CB . LYS A 1 221 ? 21.256 -14.026 -2.710 1.00 35.97 ? 562 LYS A CB 1 ATOM 1664 C CG . LYS A 1 221 ? 22.694 -14.098 -2.256 1.00 36.61 ? 562 LYS A CG 1 ATOM 1665 C CD . LYS A 1 221 ? 23.467 -15.189 -2.998 1.00 38.64 ? 562 LYS A CD 1 ATOM 1666 C CE . LYS A 1 221 ? 22.987 -16.599 -2.638 1.00 39.85 ? 562 LYS A CE 1 ATOM 1667 N NZ . LYS A 1 221 ? 23.869 -17.658 -3.204 1.00 39.34 ? 562 LYS A NZ 1 ATOM 1668 N N . ASN A 1 222 ? 18.591 -13.648 -3.503 1.00 35.20 ? 563 ASN A N 1 ATOM 1669 C CA . ASN A 1 222 ? 17.561 -13.787 -4.510 1.00 35.19 ? 563 ASN A CA 1 ATOM 1670 C C . ASN A 1 222 ? 16.305 -12.940 -4.271 1.00 34.95 ? 563 ASN A C 1 ATOM 1671 O O . ASN A 1 222 ? 15.299 -13.120 -4.952 1.00 35.16 ? 563 ASN A O 1 ATOM 1672 C CB . ASN A 1 222 ? 17.185 -15.267 -4.636 1.00 35.68 ? 563 ASN A CB 1 ATOM 1673 C CG . ASN A 1 222 ? 18.035 -15.965 -5.673 1.00 36.27 ? 563 ASN A CG 1 ATOM 1674 O OD1 . ASN A 1 222 ? 18.549 -15.346 -6.598 1.00 36.42 ? 563 ASN A OD1 1 ATOM 1675 N ND2 . ASN A 1 222 ? 18.170 -17.274 -5.528 1.00 38.69 ? 563 ASN A ND2 1 ATOM 1676 N N . LEU A 1 223 ? 16.326 -12.022 -3.292 1.00 34.50 ? 564 LEU A N 1 ATOM 1677 C CA . LEU A 1 223 ? 15.076 -11.295 -3.033 1.00 33.78 ? 564 LEU A CA 1 ATOM 1678 C C . LEU A 1 223 ? 14.834 -10.122 -3.959 1.00 33.70 ? 564 LEU A C 1 ATOM 1679 O O . LEU A 1 223 ? 15.745 -9.354 -4.280 1.00 33.49 ? 564 LEU A O 1 ATOM 1680 C CB . LEU A 1 223 ? 15.038 -10.815 -1.567 1.00 33.64 ? 564 LEU A CB 1 ATOM 1681 C CG . LEU A 1 223 ? 15.156 -11.865 -0.433 1.00 33.07 ? 564 LEU A CG 1 ATOM 1682 C CD1 . LEU A 1 223 ? 15.340 -11.179 0.908 1.00 32.67 ? 564 LEU A CD1 1 ATOM 1683 C CD2 . LEU A 1 223 ? 13.951 -12.802 -0.411 1.00 32.36 ? 564 LEU A CD2 1 ATOM 1684 N N . LYS A 1 224 ? 13.579 -9.992 -4.363 1.00 33.70 ? 565 LYS A N 1 ATOM 1685 C CA . LYS A 1 224 ? 13.169 -8.993 -5.329 1.00 33.66 ? 565 LYS A CA 1 ATOM 1686 C C . LYS A 1 224 ? 12.141 -8.042 -4.736 1.00 33.39 ? 565 LYS A C 1 ATOM 1687 O O . LYS A 1 224 ? 11.069 -8.462 -4.304 1.00 33.17 ? 565 LYS A O 1 ATOM 1688 C CB . LYS A 1 224 ? 12.572 -9.700 -6.557 1.00 33.83 ? 565 LYS A CB 1 ATOM 1689 C CG . LYS A 1 224 ? 12.754 -8.962 -7.873 1.00 33.76 ? 565 LYS A CG 1 ATOM 1690 C CD . LYS A 1 224 ? 11.857 -7.731 -7.951 1.00 34.69 ? 565 LYS A CD 1 ATOM 1691 C CE . LYS A 1 224 ? 12.542 -6.581 -8.716 1.00 35.12 ? 565 LYS A CE 1 ATOM 1692 N NZ . LYS A 1 224 ? 12.051 -5.230 -8.312 1.00 34.10 ? 565 LYS A NZ 1 ATOM 1693 N N . ARG A 1 225 ? 12.465 -6.755 -4.744 1.00 33.33 ? 566 ARG A N 1 ATOM 1694 C CA . ARG A 1 225 ? 11.556 -5.745 -4.237 1.00 33.23 ? 566 ARG A CA 1 ATOM 1695 C C . ARG A 1 225 ? 10.149 -5.945 -4.727 1.00 33.10 ? 566 ARG A C 1 ATOM 1696 O O . ARG A 1 225 ? 9.230 -5.961 -3.925 1.00 33.39 ? 566 ARG A O 1 ATOM 1697 C CB . ARG A 1 225 ? 12.012 -4.370 -4.651 1.00 33.63 ? 566 ARG A CB 1 ATOM 1698 C CG . ARG A 1 225 ? 13.359 -4.026 -4.056 1.00 34.53 ? 566 ARG A CG 1 ATOM 1699 C CD . ARG A 1 225 ? 13.640 -2.563 -4.116 1.00 36.51 ? 566 ARG A CD 1 ATOM 1700 N NE . ARG A 1 225 ? 15.056 -2.333 -3.892 1.00 38.22 ? 566 ARG A NE 1 ATOM 1701 C CZ . ARG A 1 225 ? 15.888 -1.901 -4.819 1.00 38.88 ? 566 ARG A CZ 1 ATOM 1702 N NH1 . ARG A 1 225 ? 15.451 -1.646 -6.048 1.00 38.89 ? 566 ARG A NH1 1 ATOM 1703 N NH2 . ARG A 1 225 ? 17.161 -1.720 -4.512 1.00 39.84 ? 566 ARG A NH2 1 ATOM 1704 N N . GLU A 1 226 ? 9.955 -6.098 -6.066 1.00 32.90 ? 567 GLU A N 1 ATOM 1705 C CA . GLU A 1 226 ? 8.590 -6.198 -6.460 1.00 32.75 ? 567 GLU A CA 1 ATOM 1706 C C . GLU A 1 226 ? 7.863 -7.353 -5.784 1.00 31.83 ? 567 GLU A C 1 ATOM 1707 O O . GLU A 1 226 ? 6.650 -7.426 -5.949 1.00 32.20 ? 567 GLU A O 1 ATOM 1708 C CB . GLU A 1 226 ? 8.417 -6.090 -8.000 1.00 33.06 ? 567 GLU A CB 1 ATOM 1709 C CG . GLU A 1 226 ? 7.608 -4.839 -8.436 1.00 36.47 ? 567 GLU A CG 1 ATOM 1710 C CD . GLU A 1 226 ? 6.160 -4.819 -7.955 1.00 40.89 ? 567 GLU A CD 1 ATOM 1711 O OE1 . GLU A 1 226 ? 5.446 -5.807 -8.258 1.00 43.36 ? 567 GLU A OE1 1 ATOM 1712 O OE2 . GLU A 1 226 ? 5.762 -3.826 -7.306 1.00 39.28 ? 567 GLU A OE2 1 ATOM 1713 N N . ASP A 1 227 ? 8.496 -8.273 -5.041 1.00 30.75 ? 568 ASP A N 1 ATOM 1714 C CA . ASP A 1 227 ? 7.692 -9.361 -4.414 1.00 29.89 ? 568 ASP A CA 1 ATOM 1715 C C . ASP A 1 227 ? 7.149 -8.928 -3.066 1.00 28.62 ? 568 ASP A C 1 ATOM 1716 O O . ASP A 1 227 ? 6.570 -9.727 -2.330 1.00 28.45 ? 568 ASP A O 1 ATOM 1717 C CB . ASP A 1 227 ? 8.525 -10.616 -4.191 1.00 29.99 ? 568 ASP A CB 1 ATOM 1718 C CG . ASP A 1 227 ? 8.875 -11.292 -5.465 1.00 31.07 ? 568 ASP A CG 1 ATOM 1719 O OD1 . ASP A 1 227 ? 8.096 -11.141 -6.435 1.00 30.84 ? 568 ASP A OD1 1 ATOM 1720 O OD2 . ASP A 1 227 ? 9.921 -11.971 -5.530 1.00 33.97 ? 568 ASP A OD2 1 ATOM 1721 N N . PHE A 1 228 ? 7.341 -7.662 -2.751 1.00 27.00 ? 569 PHE A N 1 ATOM 1722 C CA . PHE A 1 228 ? 6.920 -7.146 -1.479 1.00 25.55 ? 569 PHE A CA 1 ATOM 1723 C C . PHE A 1 228 ? 5.919 -6.029 -1.643 1.00 25.36 ? 569 PHE A C 1 ATOM 1724 O O . PHE A 1 228 ? 5.828 -5.415 -2.706 1.00 25.03 ? 569 PHE A O 1 ATOM 1725 C CB . PHE A 1 228 ? 8.142 -6.694 -0.705 1.00 25.03 ? 569 PHE A CB 1 ATOM 1726 C CG . PHE A 1 228 ? 9.025 -7.825 -0.309 1.00 23.33 ? 569 PHE A CG 1 ATOM 1727 C CD1 . PHE A 1 228 ? 8.679 -8.630 0.753 1.00 22.44 ? 569 PHE A CD1 1 ATOM 1728 C CD2 . PHE A 1 228 ? 10.175 -8.106 -1.006 1.00 22.39 ? 569 PHE A CD2 1 ATOM 1729 C CE1 . PHE A 1 228 ? 9.476 -9.701 1.129 1.00 23.02 ? 569 PHE A CE1 1 ATOM 1730 C CE2 . PHE A 1 228 ? 10.982 -9.168 -0.641 1.00 23.19 ? 569 PHE A CE2 1 ATOM 1731 C CZ . PHE A 1 228 ? 10.632 -9.976 0.428 1.00 23.30 ? 569 PHE A CZ 1 ATOM 1732 N N . ARG A 1 229 ? 5.144 -5.804 -0.584 1.00 24.98 ? 570 ARG A N 1 ATOM 1733 C CA . ARG A 1 229 ? 4.127 -4.772 -0.556 1.00 24.62 ? 570 ARG A CA 1 ATOM 1734 C C . ARG A 1 229 ? 4.108 -4.125 0.804 1.00 23.79 ? 570 ARG A C 1 ATOM 1735 O O . ARG A 1 229 ? 4.523 -4.727 1.797 1.00 23.44 ? 570 ARG A O 1 ATOM 1736 C CB . ARG A 1 229 ? 2.748 -5.367 -0.823 1.00 24.95 ? 570 ARG A CB 1 ATOM 1737 C CG . ARG A 1 229 ? 2.466 -5.693 -2.272 1.00 28.14 ? 570 ARG A CG 1 ATOM 1738 C CD . ARG A 1 229 ? 2.244 -4.476 -3.190 1.00 33.25 ? 570 ARG A CD 1 ATOM 1739 N NE . ARG A 1 229 ? 2.337 -4.874 -4.598 1.00 36.47 ? 570 ARG A NE 1 ATOM 1740 C CZ . ARG A 1 229 ? 3.453 -4.787 -5.300 1.00 38.22 ? 570 ARG A CZ 1 ATOM 1741 N NH1 . ARG A 1 229 ? 4.541 -4.310 -4.712 1.00 39.91 ? 570 ARG A NH1 1 ATOM 1742 N NH2 . ARG A 1 229 ? 3.494 -5.171 -6.575 1.00 38.78 ? 570 ARG A NH2 1 ATOM 1743 N N . LEU A 1 230 ? 3.603 -2.894 0.834 1.00 23.46 ? 571 LEU A N 1 ATOM 1744 C CA . LEU A 1 230 ? 3.452 -2.105 2.053 1.00 22.68 ? 571 LEU A CA 1 ATOM 1745 C C . LEU A 1 230 ? 1.991 -2.043 2.461 1.00 22.94 ? 571 LEU A C 1 ATOM 1746 O O . LEU A 1 230 ? 1.115 -1.846 1.618 1.00 23.82 ? 571 LEU A O 1 ATOM 1747 C CB . LEU A 1 230 ? 3.928 -0.683 1.817 1.00 22.28 ? 571 LEU A CB 1 ATOM 1748 C CG . LEU A 1 230 ? 5.378 -0.484 1.410 1.00 20.92 ? 571 LEU A CG 1 ATOM 1749 C CD1 . LEU A 1 230 ? 5.547 0.912 0.887 1.00 20.67 ? 571 LEU A CD1 1 ATOM 1750 C CD2 . LEU A 1 230 ? 6.260 -0.703 2.601 1.00 18.92 ? 571 LEU A CD2 1 ATOM 1751 N N . LEU A 1 231 ? 1.730 -2.178 3.756 1.00 22.62 ? 572 LEU A N 1 ATOM 1752 C CA . LEU A 1 231 ? 0.373 -2.077 4.261 1.00 22.56 ? 572 LEU A CA 1 ATOM 1753 C C . LEU A 1 231 ? 0.088 -0.659 4.684 1.00 23.03 ? 572 LEU A C 1 ATOM 1754 O O . LEU A 1 231 ? 0.761 -0.134 5.566 1.00 22.56 ? 572 LEU A O 1 ATOM 1755 C CB . LEU A 1 231 ? 0.195 -2.971 5.467 1.00 22.44 ? 572 LEU A CB 1 ATOM 1756 C CG . LEU A 1 231 ? 0.366 -4.457 5.203 1.00 22.31 ? 572 LEU A CG 1 ATOM 1757 C CD1 . LEU A 1 231 ? -0.309 -5.240 6.318 1.00 22.02 ? 572 LEU A CD1 1 ATOM 1758 C CD2 . LEU A 1 231 ? -0.239 -4.814 3.849 1.00 21.47 ? 572 LEU A CD2 1 ATOM 1759 N N . CYS A 1 232 ? -0.911 -0.040 4.066 1.00 23.91 ? 573 CYS A N 1 ATOM 1760 C CA . CYS A 1 232 ? -1.274 1.341 4.393 1.00 24.62 ? 573 CYS A CA 1 ATOM 1761 C C . CYS A 1 232 ? -2.339 1.394 5.476 1.00 25.36 ? 573 CYS A C 1 ATOM 1762 O O . CYS A 1 232 ? -2.958 0.384 5.831 1.00 25.31 ? 573 CYS A O 1 ATOM 1763 C CB . CYS A 1 232 ? -1.786 2.072 3.152 1.00 24.25 ? 573 CYS A CB 1 ATOM 1764 S SG . CYS A 1 232 ? -0.772 1.789 1.691 1.00 24.59 ? 573 CYS A SG 1 ATOM 1765 N N . LEU A 1 233 ? -2.566 2.590 5.997 1.00 26.34 ? 574 LEU A N 1 ATOM 1766 C CA . LEU A 1 233 ? -3.576 2.748 7.030 1.00 27.02 ? 574 LEU A CA 1 ATOM 1767 C C . LEU A 1 233 ? -4.978 2.815 6.446 1.00 27.37 ? 574 LEU A C 1 ATOM 1768 O O . LEU A 1 233 ? -5.931 2.451 7.116 1.00 27.63 ? 574 LEU A O 1 ATOM 1769 C CB . LEU A 1 233 ? -3.252 3.928 7.947 1.00 27.12 ? 574 LEU A CB 1 ATOM 1770 C CG . LEU A 1 233 ? -2.123 3.519 8.904 1.00 27.37 ? 574 LEU A CG 1 ATOM 1771 C CD1 . LEU A 1 233 ? -1.665 4.657 9.795 1.00 27.67 ? 574 LEU A CD1 1 ATOM 1772 C CD2 . LEU A 1 233 ? -2.559 2.327 9.747 1.00 27.97 ? 574 LEU A CD2 1 ATOM 1773 N N . ASP A 1 234 ? -5.116 3.251 5.198 1.00 27.88 ? 575 ASP A N 1 ATOM 1774 C CA . ASP A 1 234 ? -6.433 3.204 4.577 1.00 28.60 ? 575 ASP A CA 1 ATOM 1775 C C . ASP A 1 234 ? -6.755 1.767 4.127 1.00 28.93 ? 575 ASP A C 1 ATOM 1776 O O . ASP A 1 234 ? -7.716 1.521 3.397 1.00 29.16 ? 575 ASP A O 1 ATOM 1777 C CB . ASP A 1 234 ? -6.589 4.227 3.438 1.00 28.61 ? 575 ASP A CB 1 ATOM 1778 C CG . ASP A 1 234 ? -5.454 4.193 2.443 1.00 29.28 ? 575 ASP A CG 1 ATOM 1779 O OD1 . ASP A 1 234 ? -4.844 3.117 2.254 1.00 31.09 ? 575 ASP A OD1 1 ATOM 1780 O OD2 . ASP A 1 234 ? -5.113 5.210 1.787 1.00 29.93 ? 575 ASP A OD2 1 ATOM 1781 N N . GLY A 1 235 ? -5.954 0.815 4.591 1.00 29.16 ? 576 GLY A N 1 ATOM 1782 C CA . GLY A 1 235 ? -6.154 -0.577 4.239 1.00 29.25 ? 576 GLY A CA 1 ATOM 1783 C C . GLY A 1 235 ? -6.021 -0.757 2.739 1.00 29.36 ? 576 GLY A C 1 ATOM 1784 O O . GLY A 1 235 ? -6.992 -1.070 2.059 1.00 30.25 ? 576 GLY A O 1 ATOM 1785 N N . THR A 1 236 ? -4.808 -0.584 2.233 1.00 28.79 ? 577 THR A N 1 ATOM 1786 C CA . THR A 1 236 ? -4.535 -0.600 0.803 1.00 28.55 ? 577 THR A CA 1 ATOM 1787 C C . THR A 1 236 ? -3.090 -1.074 0.660 1.00 28.58 ? 577 THR A C 1 ATOM 1788 O O . THR A 1 236 ? -2.301 -0.927 1.589 1.00 28.84 ? 577 THR A O 1 ATOM 1789 C CB . THR A 1 236 ? -4.777 0.864 0.239 1.00 28.73 ? 577 THR A CB 1 ATOM 1790 O OG1 . THR A 1 236 ? -5.818 0.866 -0.752 1.00 27.38 ? 577 THR A OG1 1 ATOM 1791 C CG2 . THR A 1 236 ? -3.570 1.421 -0.506 1.00 29.01 ? 577 THR A CG2 1 ATOM 1792 N N . ARG A 1 237 ? -2.735 -1.660 -0.474 1.00 28.19 ? 578 ARG A N 1 ATOM 1793 C CA . ARG A 1 237 ? -1.403 -2.219 -0.605 1.00 27.81 ? 578 ARG A CA 1 ATOM 1794 C C . ARG A 1 237 ? -0.679 -1.529 -1.705 1.00 28.05 ? 578 ARG A C 1 ATOM 1795 O O . ARG A 1 237 ? -1.145 -1.516 -2.838 1.00 28.23 ? 578 ARG A O 1 ATOM 1796 C CB . ARG A 1 237 ? -1.467 -3.708 -0.943 1.00 27.64 ? 578 ARG A CB 1 ATOM 1797 C CG . ARG A 1 237 ? -1.916 -4.591 0.175 1.00 26.84 ? 578 ARG A CG 1 ATOM 1798 C CD . ARG A 1 237 ? -2.656 -5.825 -0.301 1.00 26.09 ? 578 ARG A CD 1 ATOM 1799 N NE . ARG A 1 237 ? -1.845 -6.686 -1.166 1.00 24.32 ? 578 ARG A NE 1 ATOM 1800 C CZ . ARG A 1 237 ? -1.246 -7.794 -0.748 1.00 22.91 ? 578 ARG A CZ 1 ATOM 1801 N NH1 . ARG A 1 237 ? -1.362 -8.140 0.525 1.00 21.28 ? 578 ARG A NH1 1 ATOM 1802 N NH2 . ARG A 1 237 ? -0.523 -8.544 -1.583 1.00 20.80 ? 578 ARG A NH2 1 ATOM 1803 N N . LYS A 1 238 ? 0.489 -0.994 -1.386 1.00 28.21 ? 579 LYS A N 1 ATOM 1804 C CA . LYS A 1 238 ? 1.279 -0.278 -2.376 1.00 28.51 ? 579 LYS A CA 1 ATOM 1805 C C . LYS A 1 238 ? 2.674 -0.869 -2.527 1.00 28.51 ? 579 LYS A C 1 ATOM 1806 O O . LYS A 1 238 ? 3.181 -1.540 -1.616 1.00 28.68 ? 579 LYS A O 1 ATOM 1807 C CB . LYS A 1 238 ? 1.371 1.191 -1.985 1.00 28.21 ? 579 LYS A CB 1 ATOM 1808 C CG . LYS A 1 238 ? 0.051 1.895 -2.114 1.00 29.78 ? 579 LYS A CG 1 ATOM 1809 C CD . LYS A 1 238 ? 0.034 3.203 -1.347 1.00 32.79 ? 579 LYS A CD 1 ATOM 1810 C CE . LYS A 1 238 ? -0.787 4.232 -2.101 1.00 34.06 ? 579 LYS A CE 1 ATOM 1811 N NZ . LYS A 1 238 ? -1.890 3.535 -2.835 1.00 34.17 ? 579 LYS A NZ 1 ATOM 1812 N N . PRO A 1 239 ? 3.278 -0.649 -3.691 1.00 28.20 ? 580 PRO A N 1 ATOM 1813 C CA . PRO A 1 239 ? 4.660 -1.063 -3.931 1.00 28.08 ? 580 PRO A CA 1 ATOM 1814 C C . PRO A 1 239 ? 5.571 -0.356 -2.942 1.00 28.06 ? 580 PRO A C 1 ATOM 1815 O O . PRO A 1 239 ? 5.152 0.581 -2.268 1.00 27.84 ? 580 PRO A O 1 ATOM 1816 C CB . PRO A 1 239 ? 4.918 -0.600 -5.360 1.00 27.92 ? 580 PRO A CB 1 ATOM 1817 C CG . PRO A 1 239 ? 3.578 -0.619 -5.961 1.00 28.45 ? 580 PRO A CG 1 ATOM 1818 C CD . PRO A 1 239 ? 2.669 -0.052 -4.887 1.00 28.01 ? 580 PRO A CD 1 ATOM 1819 N N . VAL A 1 240 ? 6.813 -0.801 -2.855 1.00 28.17 ? 581 VAL A N 1 ATOM 1820 C CA . VAL A 1 240 ? 7.703 -0.306 -1.825 1.00 28.31 ? 581 VAL A CA 1 ATOM 1821 C C . VAL A 1 240 ? 8.320 1.005 -2.212 1.00 28.50 ? 581 VAL A C 1 ATOM 1822 O O . VAL A 1 240 ? 9.135 1.559 -1.484 1.00 28.90 ? 581 VAL A O 1 ATOM 1823 C CB . VAL A 1 240 ? 8.797 -1.318 -1.555 1.00 28.22 ? 581 VAL A CB 1 ATOM 1824 C CG1 . VAL A 1 240 ? 8.176 -2.659 -1.285 1.00 27.40 ? 581 VAL A CG1 1 ATOM 1825 C CG2 . VAL A 1 240 ? 9.718 -1.410 -2.751 1.00 28.99 ? 581 VAL A CG2 1 ATOM 1826 N N . THR A 1 241 ? 7.920 1.509 -3.366 1.00 28.77 ? 582 THR A N 1 ATOM 1827 C CA . THR A 1 241 ? 8.451 2.770 -3.852 1.00 28.86 ? 582 THR A CA 1 ATOM 1828 C C . THR A 1 241 ? 7.526 3.905 -3.442 1.00 28.66 ? 582 THR A C 1 ATOM 1829 O O . THR A 1 241 ? 7.883 5.072 -3.510 1.00 28.82 ? 582 THR A O 1 ATOM 1830 C CB . THR A 1 241 ? 8.627 2.689 -5.361 1.00 28.95 ? 582 THR A CB 1 ATOM 1831 O OG1 . THR A 1 241 ? 7.583 1.876 -5.904 1.00 29.69 ? 582 THR A OG1 1 ATOM 1832 C CG2 . THR A 1 241 ? 9.866 1.872 -5.696 1.00 29.08 ? 582 THR A CG2 1 ATOM 1833 N N . GLU A 1 242 ? 6.340 3.532 -2.986 1.00 28.77 ? 583 GLU A N 1 ATOM 1834 C CA . GLU A 1 242 ? 5.333 4.464 -2.500 1.00 28.80 ? 583 GLU A CA 1 ATOM 1835 C C . GLU A 1 242 ? 5.393 4.664 -0.993 1.00 27.92 ? 583 GLU A C 1 ATOM 1836 O O . GLU A 1 242 ? 4.354 4.801 -0.356 1.00 27.81 ? 583 GLU A O 1 ATOM 1837 C CB . GLU A 1 242 ? 3.954 3.884 -2.788 1.00 29.19 ? 583 GLU A CB 1 ATOM 1838 C CG . GLU A 1 242 ? 3.036 4.849 -3.497 1.00 31.71 ? 583 GLU A CG 1 ATOM 1839 C CD . GLU A 1 242 ? 3.469 5.028 -4.922 1.00 34.73 ? 583 GLU A CD 1 ATOM 1840 O OE1 . GLU A 1 242 ? 4.596 4.573 -5.247 1.00 35.72 ? 583 GLU A OE1 1 ATOM 1841 O OE2 . GLU A 1 242 ? 2.681 5.601 -5.704 1.00 36.32 ? 583 GLU A OE2 1 ATOM 1842 N N . ALA A 1 243 ? 6.581 4.679 -0.411 1.00 27.18 ? 584 ALA A N 1 ATOM 1843 C CA . ALA A 1 243 ? 6.668 4.747 1.047 1.00 26.86 ? 584 ALA A CA 1 ATOM 1844 C C . ALA A 1 243 ? 6.094 6.039 1.591 1.00 26.86 ? 584 ALA A C 1 ATOM 1845 O O . ALA A 1 243 ? 5.437 6.081 2.634 1.00 26.67 ? 584 ALA A O 1 ATOM 1846 C CB . ALA A 1 243 ? 8.105 4.567 1.504 1.00 26.86 ? 584 ALA A CB 1 ATOM 1847 N N . GLN A 1 244 ? 6.331 7.106 0.861 1.00 27.04 ? 585 GLN A N 1 ATOM 1848 C CA . GLN A 1 244 ? 5.896 8.397 1.347 1.00 27.27 ? 585 GLN A CA 1 ATOM 1849 C C . GLN A 1 244 ? 4.373 8.509 1.485 1.00 26.81 ? 585 GLN A C 1 ATOM 1850 O O . GLN A 1 244 ? 3.888 9.348 2.232 1.00 27.13 ? 585 GLN A O 1 ATOM 1851 C CB . GLN A 1 244 ? 6.483 9.527 0.495 1.00 27.40 ? 585 GLN A CB 1 ATOM 1852 C CG . GLN A 1 244 ? 6.619 10.868 1.227 1.00 29.84 ? 585 GLN A CG 1 ATOM 1853 C CD . GLN A 1 244 ? 7.703 10.878 2.310 1.00 32.79 ? 585 GLN A CD 1 ATOM 1854 O OE1 . GLN A 1 244 ? 7.426 11.188 3.488 1.00 33.74 ? 585 GLN A OE1 1 ATOM 1855 N NE2 . GLN A 1 244 ? 8.931 10.547 1.921 1.00 32.50 ? 585 GLN A NE2 1 ATOM 1856 N N . SER A 1 245 ? 3.606 7.679 0.791 1.00 26.48 ? 586 SER A N 1 ATOM 1857 C CA . SER A 1 245 ? 2.156 7.783 0.927 1.00 26.15 ? 586 SER A CA 1 ATOM 1858 C C . SER A 1 245 ? 1.561 6.520 1.526 1.00 26.09 ? 586 SER A C 1 ATOM 1859 O O . SER A 1 245 ? 0.348 6.309 1.471 1.00 26.41 ? 586 SER A O 1 ATOM 1860 C CB . SER A 1 245 ? 1.505 8.082 -0.416 1.00 25.91 ? 586 SER A CB 1 ATOM 1861 O OG . SER A 1 245 ? 2.020 7.212 -1.396 1.00 27.45 ? 586 SER A OG 1 ATOM 1862 N N . CYS A 1 246 ? 2.424 5.673 2.084 1.00 25.47 ? 587 CYS A N 1 ATOM 1863 C CA . CYS A 1 246 ? 1.987 4.447 2.718 1.00 24.60 ? 587 CYS A CA 1 ATOM 1864 C C . CYS A 1 246 ? 2.908 4.047 3.890 1.00 24.28 ? 587 CYS A C 1 ATOM 1865 O O . CYS A 1 246 ? 3.451 2.943 3.918 1.00 24.37 ? 587 CYS A O 1 ATOM 1866 C CB . CYS A 1 246 ? 1.932 3.347 1.671 1.00 24.36 ? 587 CYS A CB 1 ATOM 1867 S SG . CYS A 1 246 ? 1.184 1.792 2.225 1.00 24.62 ? 587 CYS A SG 1 ATOM 1868 N N . HIS A 1 247 ? 3.083 4.941 4.854 1.00 23.48 ? 588 HIS A N 1 ATOM 1869 C CA . HIS A 1 247 ? 3.924 4.650 6.013 1.00 23.09 ? 588 HIS A CA 1 ATOM 1870 C C . HIS A 1 247 ? 3.089 4.694 7.280 1.00 22.65 ? 588 HIS A C 1 ATOM 1871 O O . HIS A 1 247 ? 1.980 5.223 7.274 1.00 23.47 ? 588 HIS A O 1 ATOM 1872 C CB . HIS A 1 247 ? 5.073 5.652 6.124 1.00 23.16 ? 588 HIS A CB 1 ATOM 1873 C CG . HIS A 1 247 ? 4.633 7.088 6.111 1.00 23.59 ? 588 HIS A CG 1 ATOM 1874 N ND1 . HIS A 1 247 ? 5.069 7.993 5.167 1.00 24.10 ? 588 HIS A ND1 1 ATOM 1875 C CD2 . HIS A 1 247 ? 3.798 7.773 6.923 1.00 23.33 ? 588 HIS A CD2 1 ATOM 1876 C CE1 . HIS A 1 247 ? 4.526 9.174 5.402 1.00 22.86 ? 588 HIS A CE1 1 ATOM 1877 N NE2 . HIS A 1 247 ? 3.751 9.068 6.462 1.00 22.65 ? 588 HIS A NE2 1 ATOM 1878 N N . LEU A 1 248 ? 3.616 4.154 8.369 1.00 21.73 ? 589 LEU A N 1 ATOM 1879 C CA . LEU A 1 248 ? 2.885 4.150 9.631 1.00 20.82 ? 589 LEU A CA 1 ATOM 1880 C C . LEU A 1 248 ? 3.211 5.366 10.475 1.00 20.46 ? 589 LEU A C 1 ATOM 1881 O O . LEU A 1 248 ? 2.398 5.785 11.296 1.00 21.27 ? 589 LEU A O 1 ATOM 1882 C CB . LEU A 1 248 ? 3.164 2.882 10.439 1.00 20.57 ? 589 LEU A CB 1 ATOM 1883 C CG . LEU A 1 248 ? 2.719 1.594 9.748 1.00 20.55 ? 589 LEU A CG 1 ATOM 1884 C CD1 . LEU A 1 248 ? 2.764 0.413 10.703 1.00 20.34 ? 589 LEU A CD1 1 ATOM 1885 C CD2 . LEU A 1 248 ? 1.339 1.749 9.122 1.00 18.26 ? 589 LEU A CD2 1 ATOM 1886 N N . ALA A 1 249 ? 4.404 5.923 10.306 1.00 19.15 ? 590 ALA A N 1 ATOM 1887 C CA . ALA A 1 249 ? 4.783 7.103 11.057 1.00 17.74 ? 590 ALA A CA 1 ATOM 1888 C C . ALA A 1 249 ? 6.205 7.407 10.668 1.00 17.17 ? 590 ALA A C 1 ATOM 1889 O O . ALA A 1 249 ? 6.859 6.545 10.119 1.00 17.17 ? 590 ALA A O 1 ATOM 1890 C CB . ALA A 1 249 ? 4.683 6.825 12.539 1.00 17.08 ? 590 ALA A CB 1 ATOM 1891 N N . VAL A 1 250 ? 6.684 8.623 10.907 1.00 16.84 ? 591 VAL A N 1 ATOM 1892 C CA . VAL A 1 250 ? 8.102 8.893 10.699 1.00 16.59 ? 591 VAL A CA 1 ATOM 1893 C C . VAL A 1 250 ? 8.746 8.844 12.067 1.00 16.49 ? 591 VAL A C 1 ATOM 1894 O O . VAL A 1 250 ? 8.232 9.424 13.014 1.00 17.30 ? 591 VAL A O 1 ATOM 1895 C CB . VAL A 1 250 ? 8.407 10.269 10.065 1.00 16.50 ? 591 VAL A CB 1 ATOM 1896 C CG1 . VAL A 1 250 ? 7.141 10.953 9.632 1.00 17.22 ? 591 VAL A CG1 1 ATOM 1897 C CG2 . VAL A 1 250 ? 9.164 11.148 11.042 1.00 15.84 ? 591 VAL A CG2 1 ATOM 1898 N N . ALA A 1 251 ? 9.867 8.147 12.170 1.00 15.99 ? 592 ALA A N 1 ATOM 1899 C CA . ALA A 1 251 ? 10.561 8.003 13.436 1.00 15.32 ? 592 ALA A CA 1 ATOM 1900 C C . ALA A 1 251 ? 11.774 8.918 13.550 1.00 14.92 ? 592 ALA A C 1 ATOM 1901 O O . ALA A 1 251 ? 12.434 9.221 12.564 1.00 14.04 ? 592 ALA A O 1 ATOM 1902 C CB . ALA A 1 251 ? 10.990 6.558 13.621 1.00 15.08 ? 592 ALA A CB 1 ATOM 1903 N N . PRO A 1 252 ? 12.081 9.319 14.778 1.00 14.91 ? 593 PRO A N 1 ATOM 1904 C CA . PRO A 1 252 ? 13.270 10.110 15.050 1.00 14.45 ? 593 PRO A CA 1 ATOM 1905 C C . PRO A 1 252 ? 14.475 9.214 14.909 1.00 14.15 ? 593 PRO A C 1 ATOM 1906 O O . PRO A 1 252 ? 14.421 8.037 15.259 1.00 13.46 ? 593 PRO A O 1 ATOM 1907 C CB . PRO A 1 252 ? 13.099 10.509 16.506 1.00 14.38 ? 593 PRO A CB 1 ATOM 1908 C CG . PRO A 1 252 ? 11.678 10.251 16.795 1.00 15.75 ? 593 PRO A CG 1 ATOM 1909 C CD . PRO A 1 252 ? 11.321 9.028 16.006 1.00 15.09 ? 593 PRO A CD 1 ATOM 1910 N N . ASN A 1 253 ? 15.557 9.780 14.385 1.00 14.37 ? 594 ASN A N 1 ATOM 1911 C CA . ASN A 1 253 ? 16.773 9.017 14.149 1.00 14.15 ? 594 ASN A CA 1 ATOM 1912 C C . ASN A 1 253 ? 17.322 8.414 15.393 1.00 13.91 ? 594 ASN A C 1 ATOM 1913 O O . ASN A 1 253 ? 17.225 8.992 16.484 1.00 13.73 ? 594 ASN A O 1 ATOM 1914 C CB . ASN A 1 253 ? 17.869 9.882 13.552 1.00 13.92 ? 594 ASN A CB 1 ATOM 1915 C CG . ASN A 1 253 ? 17.673 10.114 12.091 1.00 14.17 ? 594 ASN A CG 1 ATOM 1916 O OD1 . ASN A 1 253 ? 16.592 9.903 11.570 1.00 15.76 ? 594 ASN A OD1 1 ATOM 1917 N ND2 . ASN A 1 253 ? 18.722 10.540 11.412 1.00 14.47 ? 594 ASN A ND2 1 ATOM 1918 N N . HIS A 1 254 ? 17.900 7.239 15.222 1.00 13.30 ? 595 HIS A N 1 ATOM 1919 C CA . HIS A 1 254 ? 18.639 6.672 16.300 1.00 13.25 ? 595 HIS A CA 1 ATOM 1920 C C . HIS A 1 254 ? 19.686 7.726 16.639 1.00 13.36 ? 595 HIS A C 1 ATOM 1921 O O . HIS A 1 254 ? 20.074 8.532 15.792 1.00 13.71 ? 595 HIS A O 1 ATOM 1922 C CB . HIS A 1 254 ? 19.269 5.369 15.866 1.00 13.22 ? 595 HIS A CB 1 ATOM 1923 C CG . HIS A 1 254 ? 18.278 4.261 15.691 1.00 13.08 ? 595 HIS A CG 1 ATOM 1924 N ND1 . HIS A 1 254 ? 18.639 2.934 15.675 1.00 13.70 ? 595 HIS A ND1 1 ATOM 1925 C CD2 . HIS A 1 254 ? 16.936 4.285 15.528 1.00 13.57 ? 595 HIS A CD2 1 ATOM 1926 C CE1 . HIS A 1 254 ? 17.562 2.188 15.518 1.00 13.77 ? 595 HIS A CE1 1 ATOM 1927 N NE2 . HIS A 1 254 ? 16.514 2.983 15.425 1.00 12.82 ? 595 HIS A NE2 1 ATOM 1928 N N . ALA A 1 255 ? 20.097 7.766 17.893 1.00 13.52 ? 596 ALA A N 1 ATOM 1929 C CA . ALA A 1 255 ? 21.123 8.703 18.313 1.00 13.26 ? 596 ALA A CA 1 ATOM 1930 C C . ALA A 1 255 ? 21.943 8.159 19.494 1.00 13.37 ? 596 ALA A C 1 ATOM 1931 O O . ALA A 1 255 ? 21.547 7.203 20.185 1.00 12.61 ? 596 ALA A O 1 ATOM 1932 C CB . ALA A 1 255 ? 20.488 10.005 18.663 1.00 13.31 ? 596 ALA A CB 1 ATOM 1933 N N . VAL A 1 256 ? 23.093 8.778 19.704 1.00 13.59 ? 597 VAL A N 1 ATOM 1934 C CA . VAL A 1 256 ? 23.965 8.418 20.808 1.00 13.83 ? 597 VAL A CA 1 ATOM 1935 C C . VAL A 1 256 ? 23.443 9.130 22.053 1.00 14.37 ? 597 VAL A C 1 ATOM 1936 O O . VAL A 1 256 ? 23.139 10.324 21.999 1.00 13.68 ? 597 VAL A O 1 ATOM 1937 C CB . VAL A 1 256 ? 25.411 8.878 20.521 1.00 13.74 ? 597 VAL A CB 1 ATOM 1938 C CG1 . VAL A 1 256 ? 26.308 8.727 21.763 1.00 13.25 ? 597 VAL A CG1 1 ATOM 1939 C CG2 . VAL A 1 256 ? 25.974 8.136 19.307 1.00 12.80 ? 597 VAL A CG2 1 ATOM 1940 N N . VAL A 1 257 ? 23.291 8.402 23.159 1.00 14.99 ? 598 VAL A N 1 ATOM 1941 C CA . VAL A 1 257 ? 22.886 9.058 24.402 1.00 16.24 ? 598 VAL A CA 1 ATOM 1942 C C . VAL A 1 257 ? 23.982 8.894 25.423 1.00 16.91 ? 598 VAL A C 1 ATOM 1943 O O . VAL A 1 257 ? 24.842 8.019 25.286 1.00 17.22 ? 598 VAL A O 1 ATOM 1944 C CB . VAL A 1 257 ? 21.595 8.491 25.033 1.00 16.13 ? 598 VAL A CB 1 ATOM 1945 C CG1 . VAL A 1 257 ? 20.342 8.793 24.178 1.00 16.21 ? 598 VAL A CG1 1 ATOM 1946 C CG2 . VAL A 1 257 ? 21.743 7.034 25.298 1.00 16.26 ? 598 VAL A CG2 1 ATOM 1947 N N . SER A 1 258 ? 23.948 9.716 26.461 1.00 17.40 ? 599 SER A N 1 ATOM 1948 C CA . SER A 1 258 ? 24.985 9.641 27.472 1.00 18.19 ? 599 SER A CA 1 ATOM 1949 C C . SER A 1 258 ? 24.487 10.262 28.732 1.00 18.61 ? 599 SER A C 1 ATOM 1950 O O . SER A 1 258 ? 23.374 10.755 28.787 1.00 18.60 ? 599 SER A O 1 ATOM 1951 C CB . SER A 1 258 ? 26.215 10.423 27.032 1.00 18.30 ? 599 SER A CB 1 ATOM 1952 O OG . SER A 1 258 ? 26.020 11.808 27.283 1.00 18.25 ? 599 SER A OG 1 ATOM 1953 N N . ARG A 1 259 ? 25.310 10.241 29.764 1.00 19.65 ? 600 ARG A N 1 ATOM 1954 C CA . ARG A 1 259 ? 24.913 10.945 30.956 1.00 20.70 ? 600 ARG A CA 1 ATOM 1955 C C . ARG A 1 259 ? 25.141 12.422 30.692 1.00 21.43 ? 600 ARG A C 1 ATOM 1956 O O . ARG A 1 259 ? 26.093 12.819 30.013 1.00 21.22 ? 600 ARG A O 1 ATOM 1957 C CB . ARG A 1 259 ? 25.658 10.439 32.184 1.00 20.57 ? 600 ARG A CB 1 ATOM 1958 C CG . ARG A 1 259 ? 24.720 10.300 33.356 1.00 22.90 ? 600 ARG A CG 1 ATOM 1959 C CD . ARG A 1 259 ? 25.236 9.488 34.499 1.00 24.44 ? 600 ARG A CD 1 ATOM 1960 N NE . ARG A 1 259 ? 26.416 10.114 35.065 1.00 25.16 ? 600 ARG A NE 1 ATOM 1961 C CZ . ARG A 1 259 ? 27.039 9.651 36.126 1.00 24.33 ? 600 ARG A CZ 1 ATOM 1962 N NH1 . ARG A 1 259 ? 26.582 8.552 36.719 1.00 21.11 ? 600 ARG A NH1 1 ATOM 1963 N NH2 . ARG A 1 259 ? 28.113 10.287 36.585 1.00 24.60 ? 600 ARG A NH2 1 ATOM 1964 N N . SER A 1 260 ? 24.237 13.246 31.186 1.00 23.00 ? 601 SER A N 1 ATOM 1965 C CA . SER A 1 260 ? 24.392 14.664 30.922 1.00 25.09 ? 601 SER A CA 1 ATOM 1966 C C . SER A 1 260 ? 25.741 15.181 31.381 1.00 25.47 ? 601 SER A C 1 ATOM 1967 O O . SER A 1 260 ? 26.345 16.005 30.701 1.00 25.71 ? 601 SER A O 1 ATOM 1968 C CB . SER A 1 260 ? 23.272 15.494 31.542 1.00 25.35 ? 601 SER A CB 1 ATOM 1969 O OG . SER A 1 260 ? 22.785 14.861 32.719 1.00 29.83 ? 601 SER A OG 1 ATOM 1970 N N . ASP A 1 261 ? 26.228 14.715 32.522 1.00 26.13 ? 602 ASP A N 1 ATOM 1971 C CA . ASP A 1 261 ? 27.520 15.209 32.984 1.00 27.11 ? 602 ASP A CA 1 ATOM 1972 C C . ASP A 1 261 ? 28.701 14.741 32.103 1.00 27.39 ? 602 ASP A C 1 ATOM 1973 O O . ASP A 1 261 ? 29.858 15.078 32.371 1.00 27.63 ? 602 ASP A O 1 ATOM 1974 C CB . ASP A 1 261 ? 27.733 14.925 34.487 1.00 27.17 ? 602 ASP A CB 1 ATOM 1975 C CG . ASP A 1 261 ? 27.580 13.456 34.841 1.00 27.89 ? 602 ASP A CG 1 ATOM 1976 O OD1 . ASP A 1 261 ? 26.436 12.991 35.048 1.00 28.33 ? 602 ASP A OD1 1 ATOM 1977 O OD2 . ASP A 1 261 ? 28.558 12.693 34.957 1.00 29.33 ? 602 ASP A OD2 1 ATOM 1978 N N . ARG A 1 262 ? 28.397 14.011 31.029 1.00 27.58 ? 603 ARG A N 1 ATOM 1979 C CA . ARG A 1 262 ? 29.425 13.460 30.129 1.00 27.98 ? 603 ARG A CA 1 ATOM 1980 C C . ARG A 1 262 ? 29.190 13.786 28.652 1.00 27.78 ? 603 ARG A C 1 ATOM 1981 O O . ARG A 1 262 ? 30.047 13.526 27.802 1.00 27.56 ? 603 ARG A O 1 ATOM 1982 C CB . ARG A 1 262 ? 29.498 11.922 30.257 1.00 28.04 ? 603 ARG A CB 1 ATOM 1983 C CG . ARG A 1 262 ? 29.955 11.386 31.601 1.00 29.07 ? 603 ARG A CG 1 ATOM 1984 C CD . ARG A 1 262 ? 31.441 11.528 31.881 1.00 32.07 ? 603 ARG A CD 1 ATOM 1985 N NE . ARG A 1 262 ? 32.280 10.643 31.077 1.00 33.76 ? 603 ARG A NE 1 ATOM 1986 C CZ . ARG A 1 262 ? 33.539 10.922 30.775 1.00 36.33 ? 603 ARG A CZ 1 ATOM 1987 N NH1 . ARG A 1 262 ? 34.081 12.055 31.208 1.00 38.13 ? 603 ARG A NH1 1 ATOM 1988 N NH2 . ARG A 1 262 ? 34.254 10.096 30.032 1.00 38.05 ? 603 ARG A NH2 1 ATOM 1989 N N . ALA A 1 263 ? 28.020 14.334 28.352 1.00 27.76 ? 604 ALA A N 1 ATOM 1990 C CA . ALA A 1 263 ? 27.648 14.637 26.983 1.00 27.67 ? 604 ALA A CA 1 ATOM 1991 C C . ALA A 1 263 ? 28.696 15.445 26.224 1.00 27.68 ? 604 ALA A C 1 ATOM 1992 O O . ALA A 1 263 ? 28.915 15.237 25.038 1.00 27.64 ? 604 ALA A O 1 ATOM 1993 C CB . ALA A 1 263 ? 26.320 15.356 26.971 1.00 27.67 ? 604 ALA A CB 1 ATOM 1994 N N . ALA A 1 264 ? 29.335 16.370 26.918 1.00 27.81 ? 605 ALA A N 1 ATOM 1995 C CA . ALA A 1 264 ? 30.298 17.244 26.301 1.00 28.27 ? 605 ALA A CA 1 ATOM 1996 C C . ALA A 1 264 ? 31.505 16.477 25.843 1.00 29.00 ? 605 ALA A C 1 ATOM 1997 O O . ALA A 1 264 ? 32.011 16.676 24.744 1.00 28.76 ? 605 ALA A O 1 ATOM 1998 C CB . ALA A 1 264 ? 30.724 18.295 27.291 1.00 28.28 ? 605 ALA A CB 1 ATOM 1999 N N . HIS A 1 265 ? 31.987 15.603 26.709 1.00 30.31 ? 606 HIS A N 1 ATOM 2000 C CA . HIS A 1 265 ? 33.220 14.902 26.424 1.00 31.57 ? 606 HIS A CA 1 ATOM 2001 C C . HIS A 1 265 ? 32.979 13.769 25.447 1.00 31.36 ? 606 HIS A C 1 ATOM 2002 O O . HIS A 1 265 ? 33.889 13.349 24.733 1.00 31.49 ? 606 HIS A O 1 ATOM 2003 C CB . HIS A 1 265 ? 33.876 14.413 27.722 1.00 32.30 ? 606 HIS A CB 1 ATOM 2004 C CG . HIS A 1 265 ? 35.345 14.151 27.588 1.00 35.80 ? 606 HIS A CG 1 ATOM 2005 N ND1 . HIS A 1 265 ? 36.215 15.057 27.011 1.00 37.27 ? 606 HIS A ND1 1 ATOM 2006 C CD2 . HIS A 1 265 ? 36.095 13.070 27.924 1.00 38.32 ? 606 HIS A CD2 1 ATOM 2007 C CE1 . HIS A 1 265 ? 37.437 14.549 27.006 1.00 38.15 ? 606 HIS A CE1 1 ATOM 2008 N NE2 . HIS A 1 265 ? 37.392 13.346 27.554 1.00 38.95 ? 606 HIS A NE2 1 ATOM 2009 N N . VAL A 1 266 ? 31.751 13.274 25.403 1.00 31.31 ? 607 VAL A N 1 ATOM 2010 C CA . VAL A 1 266 ? 31.445 12.208 24.468 1.00 31.55 ? 607 VAL A CA 1 ATOM 2011 C C . VAL A 1 266 ? 31.341 12.808 23.066 1.00 31.80 ? 607 VAL A C 1 ATOM 2012 O O . VAL A 1 266 ? 31.914 12.288 22.110 1.00 32.02 ? 607 VAL A O 1 ATOM 2013 C CB . VAL A 1 266 ? 30.165 11.432 24.853 1.00 31.59 ? 607 VAL A CB 1 ATOM 2014 C CG1 . VAL A 1 266 ? 29.665 10.602 23.683 1.00 30.69 ? 607 VAL A CG1 1 ATOM 2015 C CG2 . VAL A 1 266 ? 30.417 10.557 26.065 1.00 30.88 ? 607 VAL A CG2 1 ATOM 2016 N N . GLU A 1 267 ? 30.628 13.920 22.958 1.00 31.98 ? 608 GLU A N 1 ATOM 2017 C CA . GLU A 1 267 ? 30.471 14.615 21.689 1.00 32.18 ? 608 GLU A CA 1 ATOM 2018 C C . GLU A 1 267 ? 31.843 14.926 21.087 1.00 32.07 ? 608 GLU A C 1 ATOM 2019 O O . GLU A 1 267 ? 32.122 14.627 19.913 1.00 31.83 ? 608 GLU A O 1 ATOM 2020 C CB . GLU A 1 267 ? 29.683 15.904 21.917 1.00 32.16 ? 608 GLU A CB 1 ATOM 2021 C CG . GLU A 1 267 ? 29.203 16.623 20.665 1.00 33.53 ? 608 GLU A CG 1 ATOM 2022 C CD . GLU A 1 267 ? 28.316 17.814 21.014 1.00 35.59 ? 608 GLU A CD 1 ATOM 2023 O OE1 . GLU A 1 267 ? 27.575 17.708 22.018 1.00 36.44 ? 608 GLU A OE1 1 ATOM 2024 O OE2 . GLU A 1 267 ? 28.357 18.854 20.307 1.00 35.66 ? 608 GLU A OE2 1 ATOM 2025 N N . GLN A 1 268 ? 32.701 15.521 21.906 1.00 31.88 ? 609 GLN A N 1 ATOM 2026 C CA . GLN A 1 268 ? 34.049 15.882 21.486 1.00 31.85 ? 609 GLN A CA 1 ATOM 2027 C C . GLN A 1 268 ? 34.815 14.689 20.912 1.00 30.99 ? 609 GLN A C 1 ATOM 2028 O O . GLN A 1 268 ? 35.142 14.664 19.729 1.00 30.96 ? 609 GLN A O 1 ATOM 2029 C CB . GLN A 1 268 ? 34.806 16.449 22.675 1.00 32.34 ? 609 GLN A CB 1 ATOM 2030 C CG . GLN A 1 268 ? 35.749 17.583 22.350 1.00 35.77 ? 609 GLN A CG 1 ATOM 2031 C CD . GLN A 1 268 ? 36.577 17.991 23.562 1.00 39.13 ? 609 GLN A CD 1 ATOM 2032 O OE1 . GLN A 1 268 ? 36.388 19.079 24.115 1.00 39.50 ? 609 GLN A OE1 1 ATOM 2033 N NE2 . GLN A 1 268 ? 37.487 17.110 23.986 1.00 40.81 ? 609 GLN A NE2 1 ATOM 2034 N N . VAL A 1 269 ? 35.090 13.691 21.744 1.00 30.09 ? 610 VAL A N 1 ATOM 2035 C CA . VAL A 1 269 ? 35.851 12.528 21.296 1.00 29.19 ? 610 VAL A CA 1 ATOM 2036 C C . VAL A 1 269 ? 35.261 11.814 20.078 1.00 28.66 ? 610 VAL A C 1 ATOM 2037 O O . VAL A 1 269 ? 35.980 11.174 19.309 1.00 28.37 ? 610 VAL A O 1 ATOM 2038 C CB . VAL A 1 269 ? 35.990 11.500 22.423 1.00 29.17 ? 610 VAL A CB 1 ATOM 2039 C CG1 . VAL A 1 269 ? 36.656 10.229 21.901 1.00 28.68 ? 610 VAL A CG1 1 ATOM 2040 C CG2 . VAL A 1 269 ? 36.779 12.089 23.551 1.00 28.62 ? 610 VAL A CG2 1 ATOM 2041 N N . LEU A 1 270 ? 33.950 11.935 19.908 1.00 28.10 ? 611 LEU A N 1 ATOM 2042 C CA . LEU A 1 270 ? 33.228 11.200 18.872 1.00 27.43 ? 611 LEU A CA 1 ATOM 2043 C C . LEU A 1 270 ? 33.355 11.805 17.479 1.00 27.54 ? 611 LEU A C 1 ATOM 2044 O O . LEU A 1 270 ? 33.598 11.094 16.501 1.00 27.09 ? 611 LEU A O 1 ATOM 2045 C CB . LEU A 1 270 ? 31.755 11.107 19.256 1.00 27.13 ? 611 LEU A CB 1 ATOM 2046 C CG . LEU A 1 270 ? 31.079 9.755 19.139 1.00 26.16 ? 611 LEU A CG 1 ATOM 2047 C CD1 . LEU A 1 270 ? 31.833 8.715 19.931 1.00 25.97 ? 611 LEU A CD1 1 ATOM 2048 C CD2 . LEU A 1 270 ? 29.686 9.901 19.654 1.00 25.09 ? 611 LEU A CD2 1 ATOM 2049 N N . LEU A 1 271 ? 33.163 13.120 17.392 1.00 27.94 ? 612 LEU A N 1 ATOM 2050 C CA . LEU A 1 271 ? 33.300 13.829 16.132 1.00 27.95 ? 612 LEU A CA 1 ATOM 2051 C C . LEU A 1 271 ? 34.702 13.624 15.611 1.00 28.23 ? 612 LEU A C 1 ATOM 2052 O O . LEU A 1 271 ? 34.912 13.514 14.404 1.00 28.09 ? 612 LEU A O 1 ATOM 2053 C CB . LEU A 1 271 ? 33.018 15.297 16.326 1.00 28.03 ? 612 LEU A CB 1 ATOM 2054 C CG . LEU A 1 271 ? 31.571 15.597 16.692 1.00 28.25 ? 612 LEU A CG 1 ATOM 2055 C CD1 . LEU A 1 271 ? 31.443 17.030 17.224 1.00 28.55 ? 612 LEU A CD1 1 ATOM 2056 C CD2 . LEU A 1 271 ? 30.684 15.370 15.491 1.00 27.32 ? 612 LEU A CD2 1 ATOM 2057 N N . HIS A 1 272 ? 35.666 13.529 16.520 1.00 28.74 ? 613 HIS A N 1 ATOM 2058 C CA . HIS A 1 272 ? 37.035 13.278 16.081 1.00 29.67 ? 613 HIS A CA 1 ATOM 2059 C C . HIS A 1 272 ? 37.217 11.835 15.638 1.00 29.47 ? 613 HIS A C 1 ATOM 2060 O O . HIS A 1 272 ? 38.017 11.552 14.764 1.00 29.81 ? 613 HIS A O 1 ATOM 2061 C CB . HIS A 1 272 ? 38.059 13.643 17.146 1.00 29.94 ? 613 HIS A CB 1 ATOM 2062 C CG . HIS A 1 272 ? 39.431 13.116 16.861 1.00 32.45 ? 613 HIS A CG 1 ATOM 2063 N ND1 . HIS A 1 272 ? 40.129 13.428 15.710 1.00 34.81 ? 613 HIS A ND1 1 ATOM 2064 C CD2 . HIS A 1 272 ? 40.234 12.289 17.575 1.00 33.96 ? 613 HIS A CD2 1 ATOM 2065 C CE1 . HIS A 1 272 ? 41.305 12.824 15.734 1.00 35.51 ? 613 HIS A CE1 1 ATOM 2066 N NE2 . HIS A 1 272 ? 41.393 12.124 16.853 1.00 35.73 ? 613 HIS A NE2 1 ATOM 2067 N N . GLN A 1 273 ? 36.477 10.919 16.244 1.00 29.40 ? 614 GLN A N 1 ATOM 2068 C CA . GLN A 1 273 ? 36.531 9.530 15.814 1.00 29.23 ? 614 GLN A CA 1 ATOM 2069 C C . GLN A 1 273 ? 35.867 9.377 14.445 1.00 29.26 ? 614 GLN A C 1 ATOM 2070 O O . GLN A 1 273 ? 36.257 8.531 13.649 1.00 29.02 ? 614 GLN A O 1 ATOM 2071 C CB . GLN A 1 273 ? 35.854 8.617 16.839 1.00 29.18 ? 614 GLN A CB 1 ATOM 2072 C CG . GLN A 1 273 ? 36.666 8.408 18.092 1.00 28.68 ? 614 GLN A CG 1 ATOM 2073 C CD . GLN A 1 273 ? 37.928 7.637 17.813 1.00 28.50 ? 614 GLN A CD 1 ATOM 2074 O OE1 . GLN A 1 273 ? 37.901 6.692 17.033 1.00 28.72 ? 614 GLN A OE1 1 ATOM 2075 N NE2 . GLN A 1 273 ? 39.042 8.041 18.430 1.00 28.57 ? 614 GLN A NE2 1 ATOM 2076 N N . GLN A 1 274 ? 34.866 10.204 14.161 1.00 29.42 ? 615 GLN A N 1 ATOM 2077 C CA . GLN A 1 274 ? 34.172 10.076 12.885 1.00 29.24 ? 615 GLN A CA 1 ATOM 2078 C C . GLN A 1 274 ? 35.027 10.643 11.767 1.00 29.67 ? 615 GLN A C 1 ATOM 2079 O O . GLN A 1 274 ? 34.996 10.144 10.654 1.00 29.78 ? 615 GLN A O 1 ATOM 2080 C CB . GLN A 1 274 ? 32.744 10.625 12.942 1.00 28.68 ? 615 GLN A CB 1 ATOM 2081 C CG . GLN A 1 274 ? 32.455 11.895 12.247 1.00 27.64 ? 615 GLN A CG 1 ATOM 2082 C CD . GLN A 1 274 ? 30.978 12.223 12.357 1.00 26.26 ? 615 GLN A CD 1 ATOM 2083 O OE1 . GLN A 1 274 ? 30.140 11.341 12.224 1.00 24.53 ? 615 GLN A OE1 1 ATOM 2084 N NE2 . GLN A 1 274 ? 30.657 13.486 12.602 1.00 28.12 ? 615 GLN A NE2 1 ATOM 2085 N N . ALA A 1 275 ? 35.844 11.646 12.092 1.00 30.31 ? 616 ALA A N 1 ATOM 2086 C CA . ALA A 1 275 ? 36.801 12.208 11.132 1.00 30.12 ? 616 ALA A CA 1 ATOM 2087 C C . ALA A 1 275 ? 37.706 11.120 10.644 1.00 30.20 ? 616 ALA A C 1 ATOM 2088 O O . ALA A 1 275 ? 38.144 11.156 9.515 1.00 30.82 ? 616 ALA A O 1 ATOM 2089 C CB . ALA A 1 275 ? 37.638 13.261 11.776 1.00 30.03 ? 616 ALA A CB 1 ATOM 2090 N N . LEU A 1 276 ? 37.968 10.143 11.505 1.00 30.40 ? 617 LEU A N 1 ATOM 2091 C CA . LEU A 1 276 ? 38.924 9.083 11.220 1.00 30.55 ? 617 LEU A CA 1 ATOM 2092 C C . LEU A 1 276 ? 38.337 7.822 10.615 1.00 30.81 ? 617 LEU A C 1 ATOM 2093 O O . LEU A 1 276 ? 38.950 7.204 9.742 1.00 31.22 ? 617 LEU A O 1 ATOM 2094 C CB . LEU A 1 276 ? 39.653 8.675 12.505 1.00 30.36 ? 617 LEU A CB 1 ATOM 2095 C CG . LEU A 1 276 ? 40.702 9.605 13.118 1.00 31.05 ? 617 LEU A CG 1 ATOM 2096 C CD1 . LEU A 1 276 ? 41.436 8.872 14.212 1.00 30.25 ? 617 LEU A CD1 1 ATOM 2097 C CD2 . LEU A 1 276 ? 41.696 10.131 12.071 1.00 31.59 ? 617 LEU A CD2 1 ATOM 2098 N N . PHE A 1 277 ? 37.167 7.418 11.084 1.00 30.91 ? 618 PHE A N 1 ATOM 2099 C CA . PHE A 1 277 ? 36.623 6.139 10.664 1.00 30.82 ? 618 PHE A CA 1 ATOM 2100 C C . PHE A 1 277 ? 35.263 6.245 10.035 1.00 31.33 ? 618 PHE A C 1 ATOM 2101 O O . PHE A 1 277 ? 34.661 5.241 9.676 1.00 30.71 ? 618 PHE A O 1 ATOM 2102 C CB . PHE A 1 277 ? 36.553 5.230 11.866 1.00 30.66 ? 618 PHE A CB 1 ATOM 2103 C CG . PHE A 1 277 ? 37.835 5.138 12.607 1.00 29.65 ? 618 PHE A CG 1 ATOM 2104 C CD1 . PHE A 1 277 ? 38.881 4.375 12.103 1.00 28.64 ? 618 PHE A CD1 1 ATOM 2105 C CD2 . PHE A 1 277 ? 38.005 5.804 13.806 1.00 28.60 ? 618 PHE A CD2 1 ATOM 2106 C CE1 . PHE A 1 277 ? 40.071 4.278 12.785 1.00 27.83 ? 618 PHE A CE1 1 ATOM 2107 C CE2 . PHE A 1 277 ? 39.201 5.710 14.498 1.00 27.89 ? 618 PHE A CE2 1 ATOM 2108 C CZ . PHE A 1 277 ? 40.234 4.950 13.989 1.00 27.15 ? 618 PHE A CZ 1 ATOM 2109 N N . GLY A 1 278 ? 34.787 7.475 9.911 1.00 32.45 ? 619 GLY A N 1 ATOM 2110 C CA . GLY A 1 278 ? 33.503 7.741 9.305 1.00 34.44 ? 619 GLY A CA 1 ATOM 2111 C C . GLY A 1 278 ? 33.507 7.588 7.796 1.00 36.14 ? 619 GLY A C 1 ATOM 2112 O O . GLY A 1 278 ? 34.476 7.109 7.187 1.00 35.55 ? 619 GLY A O 1 ATOM 2113 N N . LYS A 1 279 ? 32.413 8.029 7.187 1.00 37.95 ? 620 LYS A N 1 ATOM 2114 C CA . LYS A 1 279 ? 32.216 7.844 5.763 1.00 40.21 ? 620 LYS A CA 1 ATOM 2115 C C . LYS A 1 279 ? 33.369 8.321 4.877 1.00 41.37 ? 620 LYS A C 1 ATOM 2116 O O . LYS A 1 279 ? 33.674 7.681 3.862 1.00 41.37 ? 620 LYS A O 1 ATOM 2117 C CB . LYS A 1 279 ? 30.868 8.404 5.317 1.00 40.34 ? 620 LYS A CB 1 ATOM 2118 C CG . LYS A 1 279 ? 30.485 7.948 3.932 1.00 42.35 ? 620 LYS A CG 1 ATOM 2119 C CD . LYS A 1 279 ? 29.043 7.457 3.825 1.00 44.65 ? 620 LYS A CD 1 ATOM 2120 C CE . LYS A 1 279 ? 28.671 7.246 2.348 1.00 46.66 ? 620 LYS A CE 1 ATOM 2121 N NZ . LYS A 1 279 ? 28.709 8.590 1.617 1.00 47.85 ? 620 LYS A NZ 1 ATOM 2122 N N . ASN A 1 280 ? 34.024 9.421 5.258 1.00 42.94 ? 621 ASN A N 1 ATOM 2123 C CA . ASN A 1 280 ? 35.169 9.921 4.471 1.00 44.28 ? 621 ASN A CA 1 ATOM 2124 C C . ASN A 1 280 ? 36.511 10.131 5.211 1.00 44.90 ? 621 ASN A C 1 ATOM 2125 O O . ASN A 1 280 ? 37.331 10.958 4.793 1.00 45.24 ? 621 ASN A O 1 ATOM 2126 C CB . ASN A 1 280 ? 34.775 11.189 3.705 1.00 44.43 ? 621 ASN A CB 1 ATOM 2127 C CG . ASN A 1 280 ? 34.276 10.886 2.299 1.00 45.57 ? 621 ASN A CG 1 ATOM 2128 O OD1 . ASN A 1 280 ? 34.489 11.668 1.371 1.00 47.68 ? 621 ASN A OD1 1 ATOM 2129 N ND2 . ASN A 1 280 ? 33.613 9.749 2.136 1.00 45.59 ? 621 ASN A ND2 1 ATOM 2130 N N . GLY A 1 281 ? 36.749 9.364 6.279 1.00 45.32 ? 622 GLY A N 1 ATOM 2131 C CA . GLY A 1 281 ? 37.926 9.548 7.119 1.00 45.39 ? 622 GLY A CA 1 ATOM 2132 C C . GLY A 1 281 ? 39.306 9.110 6.647 1.00 45.72 ? 622 GLY A C 1 ATOM 2133 O O . GLY A 1 281 ? 39.457 8.260 5.763 1.00 45.76 ? 622 GLY A O 1 ATOM 2134 N N . LYS A 1 282 ? 40.327 9.706 7.260 1.00 45.76 ? 623 LYS A N 1 ATOM 2135 C CA . LYS A 1 282 ? 41.714 9.363 6.987 1.00 45.81 ? 623 LYS A CA 1 ATOM 2136 C C . LYS A 1 282 ? 41.905 7.873 6.851 1.00 45.55 ? 623 LYS A C 1 ATOM 2137 O O . LYS A 1 282 ? 42.760 7.425 6.086 1.00 45.65 ? 623 LYS A O 1 ATOM 2138 C CB . LYS A 1 282 ? 42.609 9.813 8.136 1.00 46.14 ? 623 LYS A CB 1 ATOM 2139 C CG . LYS A 1 282 ? 43.230 11.178 7.965 1.00 47.55 ? 623 LYS A CG 1 ATOM 2140 C CD . LYS A 1 282 ? 42.190 12.267 8.075 1.00 50.22 ? 623 LYS A CD 1 ATOM 2141 C CE . LYS A 1 282 ? 42.796 13.612 7.710 1.00 52.46 ? 623 LYS A CE 1 ATOM 2142 N NZ . LYS A 1 282 ? 41.772 14.704 7.595 1.00 53.86 ? 623 LYS A NZ 1 ATOM 2143 N N . ASN A 1 283 ? 41.122 7.098 7.633 1.00 45.13 ? 624 ASN A N 1 ATOM 2144 C CA . ASN A 1 283 ? 41.322 5.656 7.615 1.00 44.78 ? 624 ASN A CA 1 ATOM 2145 C C . ASN A 1 283 ? 40.099 4.718 7.316 1.00 44.58 ? 624 ASN A C 1 ATOM 2146 O O . ASN A 1 283 ? 40.172 3.512 7.594 1.00 44.55 ? 624 ASN A O 1 ATOM 2147 C CB . ASN A 1 283 ? 41.982 5.256 8.937 1.00 44.90 ? 624 ASN A CB 1 ATOM 2148 C CG . ASN A 1 283 ? 43.132 6.145 9.375 1.00 44.76 ? 624 ASN A CG 1 ATOM 2149 O OD1 . ASN A 1 283 ? 43.933 6.623 8.562 1.00 44.95 ? 624 ASN A OD1 1 ATOM 2150 N ND2 . ASN A 1 283 ? 43.220 6.375 10.680 1.00 44.29 ? 624 ASN A ND2 1 ATOM 2151 N N . CYS A 1 284 ? 38.962 5.247 6.724 1.00 44.06 ? 625 CYS A N 1 ATOM 2152 C CA . CYS A 1 284 ? 37.767 4.399 6.457 1.00 43.42 ? 625 CYS A CA 1 ATOM 2153 C C . CYS A 1 284 ? 38.082 3.231 5.519 1.00 44.47 ? 625 CYS A C 1 ATOM 2154 O O . CYS A 1 284 ? 38.156 2.078 5.966 1.00 45.07 ? 625 CYS A O 1 ATOM 2155 C CB . CYS A 1 284 ? 36.601 5.123 5.771 1.00 42.76 ? 625 CYS A CB 1 ATOM 2156 S SG . CYS A 1 284 ? 35.329 4.023 5.065 1.00 39.59 ? 625 CYS A SG 1 ATOM 2157 N N . PRO A 1 285 ? 38.281 3.511 4.215 1.00 44.74 ? 626 PRO A N 1 ATOM 2158 C CA . PRO A 1 285 ? 38.517 2.360 3.317 1.00 44.66 ? 626 PRO A CA 1 ATOM 2159 C C . PRO A 1 285 ? 39.475 1.381 3.885 1.00 44.82 ? 626 PRO A C 1 ATOM 2160 O O . PRO A 1 285 ? 39.207 0.208 4.102 1.00 44.96 ? 626 PRO A O 1 ATOM 2161 C CB . PRO A 1 285 ? 38.866 3.029 2.008 1.00 45.06 ? 626 PRO A CB 1 ATOM 2162 C CG . PRO A 1 285 ? 37.885 4.166 1.993 1.00 45.24 ? 626 PRO A CG 1 ATOM 2163 C CD . PRO A 1 285 ? 37.541 4.514 3.414 1.00 44.79 ? 626 PRO A CD 1 ATOM 2164 N N . ASP A 1 286 ? 40.632 1.959 4.106 1.00 44.66 ? 627 ASP A N 1 ATOM 2165 C CA . ASP A 1 286 ? 41.866 1.295 4.505 1.00 44.30 ? 627 ASP A CA 1 ATOM 2166 C C . ASP A 1 286 ? 41.908 0.508 5.800 1.00 43.46 ? 627 ASP A C 1 ATOM 2167 O O . ASP A 1 286 ? 42.304 -0.650 5.806 1.00 43.60 ? 627 ASP A O 1 ATOM 2168 C CB . ASP A 1 286 ? 42.941 2.361 4.563 1.00 44.90 ? 627 ASP A CB 1 ATOM 2169 C CG . ASP A 1 286 ? 42.724 3.426 3.519 1.00 46.62 ? 627 ASP A CG 1 ATOM 2170 O OD1 . ASP A 1 286 ? 42.906 3.099 2.322 1.00 48.04 ? 627 ASP A OD1 1 ATOM 2171 O OD2 . ASP A 1 286 ? 42.340 4.588 3.794 1.00 47.66 ? 627 ASP A OD2 1 ATOM 2172 N N . LYS A 1 287 ? 41.534 1.120 6.911 1.00 42.46 ? 628 LYS A N 1 ATOM 2173 C CA . LYS A 1 287 ? 41.744 0.430 8.176 1.00 41.17 ? 628 LYS A CA 1 ATOM 2174 C C . LYS A 1 287 ? 40.499 0.047 8.944 1.00 39.93 ? 628 LYS A C 1 ATOM 2175 O O . LYS A 1 287 ? 40.407 -1.062 9.461 1.00 40.09 ? 628 LYS A O 1 ATOM 2176 C CB . LYS A 1 287 ? 42.676 1.237 9.072 1.00 41.40 ? 628 LYS A CB 1 ATOM 2177 C CG . LYS A 1 287 ? 44.028 1.483 8.451 1.00 42.91 ? 628 LYS A CG 1 ATOM 2178 C CD . LYS A 1 287 ? 45.105 1.594 9.518 1.00 45.69 ? 628 LYS A CD 1 ATOM 2179 C CE . LYS A 1 287 ? 45.838 0.276 9.713 1.00 48.03 ? 628 LYS A CE 1 ATOM 2180 N NZ . LYS A 1 287 ? 46.767 0.326 10.886 1.00 50.14 ? 628 LYS A NZ 1 ATOM 2181 N N . PHE A 1 288 ? 39.539 0.954 9.028 1.00 38.27 ? 629 PHE A N 1 ATOM 2182 C CA . PHE A 1 288 ? 38.349 0.665 9.805 1.00 36.28 ? 629 PHE A CA 1 ATOM 2183 C C . PHE A 1 288 ? 37.231 1.668 9.538 1.00 35.45 ? 629 PHE A C 1 ATOM 2184 O O . PHE A 1 288 ? 37.411 2.884 9.654 1.00 35.38 ? 629 PHE A O 1 ATOM 2185 C CB . PHE A 1 288 ? 38.715 0.642 11.297 1.00 36.15 ? 629 PHE A CB 1 ATOM 2186 C CG . PHE A 1 288 ? 37.558 0.333 12.204 1.00 34.67 ? 629 PHE A CG 1 ATOM 2187 C CD1 . PHE A 1 288 ? 37.137 -0.977 12.389 1.00 32.09 ? 629 PHE A CD1 1 ATOM 2188 C CD2 . PHE A 1 288 ? 36.889 1.350 12.866 1.00 32.88 ? 629 PHE A CD2 1 ATOM 2189 C CE1 . PHE A 1 288 ? 36.085 -1.266 13.202 1.00 30.93 ? 629 PHE A CE1 1 ATOM 2190 C CE2 . PHE A 1 288 ? 35.828 1.060 13.689 1.00 32.56 ? 629 PHE A CE2 1 ATOM 2191 C CZ . PHE A 1 288 ? 35.425 -0.254 13.854 1.00 31.44 ? 629 PHE A CZ 1 ATOM 2192 N N . CYS A 1 289 ? 36.069 1.151 9.177 1.00 34.29 ? 630 CYS A N 1 ATOM 2193 C CA . CYS A 1 289 ? 34.925 2.000 8.939 1.00 33.51 ? 630 CYS A CA 1 ATOM 2194 C C . CYS A 1 289 ? 33.895 1.824 10.048 1.00 33.18 ? 630 CYS A C 1 ATOM 2195 O O . CYS A 1 289 ? 33.259 0.787 10.167 1.00 33.21 ? 630 CYS A O 1 ATOM 2196 C CB . CYS A 1 289 ? 34.325 1.708 7.572 1.00 33.48 ? 630 CYS A CB 1 ATOM 2197 S SG . CYS A 1 289 ? 35.462 2.090 6.241 1.00 32.71 ? 630 CYS A SG 1 ATOM 2198 N N . LEU A 1 290 ? 33.762 2.853 10.870 1.00 32.67 ? 631 LEU A N 1 ATOM 2199 C CA . LEU A 1 290 ? 32.804 2.882 11.960 1.00 32.14 ? 631 LEU A CA 1 ATOM 2200 C C . LEU A 1 290 ? 31.396 2.511 11.520 1.00 31.99 ? 631 LEU A C 1 ATOM 2201 O O . LEU A 1 290 ? 30.639 1.937 12.294 1.00 32.08 ? 631 LEU A O 1 ATOM 2202 C CB . LEU A 1 290 ? 32.736 4.296 12.531 1.00 32.02 ? 631 LEU A CB 1 ATOM 2203 C CG . LEU A 1 290 ? 32.845 4.610 14.022 1.00 31.86 ? 631 LEU A CG 1 ATOM 2204 C CD1 . LEU A 1 290 ? 32.047 5.854 14.275 1.00 31.23 ? 631 LEU A CD1 1 ATOM 2205 C CD2 . LEU A 1 290 ? 32.377 3.487 14.938 1.00 32.28 ? 631 LEU A CD2 1 ATOM 2206 N N . PHE A 1 291 ? 31.023 2.853 10.293 1.00 31.94 ? 632 PHE A N 1 ATOM 2207 C CA . PHE A 1 291 ? 29.650 2.613 9.863 1.00 31.83 ? 632 PHE A CA 1 ATOM 2208 C C . PHE A 1 291 ? 29.466 1.417 8.955 1.00 32.40 ? 632 PHE A C 1 ATOM 2209 O O . PHE A 1 291 ? 28.452 1.303 8.276 1.00 32.49 ? 632 PHE A O 1 ATOM 2210 C CB . PHE A 1 291 ? 29.057 3.858 9.239 1.00 31.49 ? 632 PHE A CB 1 ATOM 2211 C CG . PHE A 1 291 ? 29.225 5.062 10.087 1.00 30.92 ? 632 PHE A CG 1 ATOM 2212 C CD1 . PHE A 1 291 ? 28.967 4.996 11.442 1.00 30.29 ? 632 PHE A CD1 1 ATOM 2213 C CD2 . PHE A 1 291 ? 29.667 6.249 9.554 1.00 30.02 ? 632 PHE A CD2 1 ATOM 2214 C CE1 . PHE A 1 291 ? 29.124 6.092 12.251 1.00 28.80 ? 632 PHE A CE1 1 ATOM 2215 C CE2 . PHE A 1 291 ? 29.832 7.357 10.366 1.00 30.56 ? 632 PHE A CE2 1 ATOM 2216 C CZ . PHE A 1 291 ? 29.553 7.272 11.722 1.00 29.86 ? 632 PHE A CZ 1 ATOM 2217 N N . LYS A 1 292 ? 30.434 0.514 8.958 1.00 32.86 ? 633 LYS A N 1 ATOM 2218 C CA . LYS A 1 292 ? 30.292 -0.699 8.189 1.00 33.57 ? 633 LYS A CA 1 ATOM 2219 C C . LYS A 1 292 ? 30.379 -1.864 9.165 1.00 33.95 ? 633 LYS A C 1 ATOM 2220 O O . LYS A 1 292 ? 31.190 -1.851 10.096 1.00 33.45 ? 633 LYS A O 1 ATOM 2221 C CB . LYS A 1 292 ? 31.391 -0.796 7.132 1.00 33.90 ? 633 LYS A CB 1 ATOM 2222 C CG . LYS A 1 292 ? 30.917 -1.209 5.746 1.00 34.73 ? 633 LYS A CG 1 ATOM 2223 C CD . LYS A 1 292 ? 30.559 0.028 4.911 1.00 36.86 ? 633 LYS A CD 1 ATOM 2224 C CE . LYS A 1 292 ? 29.202 0.594 5.323 1.00 36.83 ? 633 LYS A CE 1 ATOM 2225 N NZ . LYS A 1 292 ? 29.093 2.067 5.136 1.00 38.05 ? 633 LYS A NZ 1 ATOM 2226 N N . SER A 1 293 ? 29.530 -2.862 8.946 1.00 34.68 ? 634 SER A N 1 ATOM 2227 C CA . SER A 1 293 ? 29.455 -4.040 9.800 1.00 35.42 ? 634 SER A CA 1 ATOM 2228 C C . SER A 1 293 ? 28.848 -5.145 8.967 1.00 36.18 ? 634 SER A C 1 ATOM 2229 O O . SER A 1 293 ? 28.396 -6.165 9.487 1.00 36.51 ? 634 SER A O 1 ATOM 2230 C CB . SER A 1 293 ? 28.528 -3.778 10.977 1.00 35.16 ? 634 SER A CB 1 ATOM 2231 O OG . SER A 1 293 ? 27.187 -3.682 10.526 1.00 34.99 ? 634 SER A OG 1 ATOM 2232 N N . GLU A 1 294 ? 28.816 -4.916 7.665 1.00 36.75 ? 635 GLU A N 1 ATOM 2233 C CA . GLU A 1 294 ? 28.229 -5.865 6.728 1.00 37.51 ? 635 GLU A CA 1 ATOM 2234 C C . GLU A 1 294 ? 26.764 -6.232 7.045 1.00 37.22 ? 635 GLU A C 1 ATOM 2235 O O . GLU A 1 294 ? 26.483 -7.239 7.710 1.00 37.42 ? 635 GLU A O 1 ATOM 2236 C CB . GLU A 1 294 ? 29.123 -7.108 6.539 1.00 37.90 ? 635 GLU A CB 1 ATOM 2237 C CG . GLU A 1 294 ? 29.427 -7.914 7.795 1.00 39.47 ? 635 GLU A CG 1 ATOM 2238 C CD . GLU A 1 294 ? 29.341 -9.411 7.535 1.00 41.78 ? 635 GLU A CD 1 ATOM 2239 O OE1 . GLU A 1 294 ? 30.055 -9.895 6.621 1.00 42.50 ? 635 GLU A OE1 1 ATOM 2240 O OE2 . GLU A 1 294 ? 28.554 -10.095 8.232 1.00 42.24 ? 635 GLU A OE2 1 ATOM 2241 N N . THR A 1 295 ? 25.852 -5.383 6.563 1.00 36.65 ? 636 THR A N 1 ATOM 2242 C CA . THR A 1 295 ? 24.394 -5.565 6.652 1.00 35.90 ? 636 THR A CA 1 ATOM 2243 C C . THR A 1 295 ? 23.795 -5.781 8.058 1.00 35.26 ? 636 THR A C 1 ATOM 2244 O O . THR A 1 295 ? 22.576 -5.970 8.203 1.00 35.05 ? 636 THR A O 1 ATOM 2245 C CB . THR A 1 295 ? 23.957 -6.693 5.673 1.00 36.02 ? 636 THR A CB 1 ATOM 2246 O OG1 . THR A 1 295 ? 22.548 -6.603 5.421 1.00 37.21 ? 636 THR A OG1 1 ATOM 2247 C CG2 . THR A 1 295 ? 24.151 -8.075 6.276 1.00 34.81 ? 636 THR A CG2 1 ATOM 2248 N N . LYS A 1 296 ? 24.644 -5.691 9.082 1.00 34.26 ? 637 LYS A N 1 ATOM 2249 C CA . LYS A 1 296 ? 24.256 -6.056 10.444 1.00 33.20 ? 637 LYS A CA 1 ATOM 2250 C C . LYS A 1 296 ? 23.856 -4.970 11.439 1.00 31.57 ? 637 LYS A C 1 ATOM 2251 O O . LYS A 1 296 ? 23.401 -5.285 12.527 1.00 31.34 ? 637 LYS A O 1 ATOM 2252 C CB . LYS A 1 296 ? 25.357 -6.914 11.054 1.00 33.77 ? 637 LYS A CB 1 ATOM 2253 C CG . LYS A 1 296 ? 25.759 -8.078 10.164 1.00 35.72 ? 637 LYS A CG 1 ATOM 2254 C CD . LYS A 1 296 ? 26.649 -9.070 10.902 1.00 39.65 ? 637 LYS A CD 1 ATOM 2255 C CE . LYS A 1 296 ? 25.838 -10.216 11.473 1.00 42.14 ? 637 LYS A CE 1 ATOM 2256 N NZ . LYS A 1 296 ? 26.699 -11.190 12.214 1.00 44.91 ? 637 LYS A NZ 1 ATOM 2257 N N . ASN A 1 297 ? 24.031 -3.706 11.077 1.00 29.87 ? 638 ASN A N 1 ATOM 2258 C CA . ASN A 1 297 ? 23.668 -2.606 11.959 1.00 27.94 ? 638 ASN A CA 1 ATOM 2259 C C . ASN A 1 297 ? 24.274 -2.740 13.361 1.00 26.38 ? 638 ASN A C 1 ATOM 2260 O O . ASN A 1 297 ? 23.592 -2.550 14.361 1.00 25.74 ? 638 ASN A O 1 ATOM 2261 C CB . ASN A 1 297 ? 22.141 -2.474 12.039 1.00 28.45 ? 638 ASN A CB 1 ATOM 2262 C CG . ASN A 1 297 ? 21.497 -2.177 10.678 1.00 29.24 ? 638 ASN A CG 1 ATOM 2263 O OD1 . ASN A 1 297 ? 20.357 -2.594 10.391 1.00 28.48 ? 638 ASN A OD1 1 ATOM 2264 N ND2 . ASN A 1 297 ? 22.224 -1.447 9.838 1.00 30.41 ? 638 ASN A ND2 1 ATOM 2265 N N . LEU A 1 298 ? 25.562 -3.065 13.418 1.00 24.67 ? 639 LEU A N 1 ATOM 2266 C CA . LEU A 1 298 ? 26.280 -3.201 14.681 1.00 22.93 ? 639 LEU A CA 1 ATOM 2267 C C . LEU A 1 298 ? 26.870 -1.876 15.145 1.00 22.38 ? 639 LEU A C 1 ATOM 2268 O O . LEU A 1 298 ? 27.707 -1.311 14.458 1.00 21.84 ? 639 LEU A O 1 ATOM 2269 C CB . LEU A 1 298 ? 27.417 -4.196 14.523 1.00 22.34 ? 639 LEU A CB 1 ATOM 2270 C CG . LEU A 1 298 ? 27.044 -5.537 13.925 1.00 21.17 ? 639 LEU A CG 1 ATOM 2271 C CD1 . LEU A 1 298 ? 28.300 -6.316 13.587 1.00 20.62 ? 639 LEU A CD1 1 ATOM 2272 C CD2 . LEU A 1 298 ? 26.143 -6.318 14.875 1.00 20.18 ? 639 LEU A CD2 1 ATOM 2273 N N . LEU A 1 299 ? 26.464 -1.431 16.339 1.00 21.86 ? 640 LEU A N 1 ATOM 2274 C CA . LEU A 1 299 ? 26.884 -0.156 16.960 1.00 21.00 ? 640 LEU A CA 1 ATOM 2275 C C . LEU A 1 299 ? 26.163 1.000 16.317 1.00 20.37 ? 640 LEU A C 1 ATOM 2276 O O . LEU A 1 299 ? 25.689 1.898 16.988 1.00 20.15 ? 640 LEU A O 1 ATOM 2277 C CB . LEU A 1 299 ? 28.380 0.103 16.833 1.00 20.93 ? 640 LEU A CB 1 ATOM 2278 C CG . LEU A 1 299 ? 29.428 -0.800 17.467 1.00 21.82 ? 640 LEU A CG 1 ATOM 2279 C CD1 . LEU A 1 299 ? 30.648 0.064 17.664 1.00 21.15 ? 640 LEU A CD1 1 ATOM 2280 C CD2 . LEU A 1 299 ? 28.982 -1.424 18.792 1.00 22.99 ? 640 LEU A CD2 1 ATOM 2281 N N . PHE A 1 300 ? 26.096 0.967 14.994 1.00 19.85 ? 641 PHE A N 1 ATOM 2282 C CA . PHE A 1 300 ? 25.437 2.007 14.233 1.00 19.12 ? 641 PHE A CA 1 ATOM 2283 C C . PHE A 1 300 ? 24.718 1.393 13.060 1.00 19.25 ? 641 PHE A C 1 ATOM 2284 O O . PHE A 1 300 ? 25.102 0.331 12.588 1.00 19.52 ? 641 PHE A O 1 ATOM 2285 C CB . PHE A 1 300 ? 26.483 2.963 13.702 1.00 18.61 ? 641 PHE A CB 1 ATOM 2286 C CG . PHE A 1 300 ? 27.186 3.731 14.760 1.00 16.81 ? 641 PHE A CG 1 ATOM 2287 C CD1 . PHE A 1 300 ? 26.579 4.834 15.340 1.00 16.90 ? 641 PHE A CD1 1 ATOM 2288 C CD2 . PHE A 1 300 ? 28.460 3.380 15.155 1.00 14.19 ? 641 PHE A CD2 1 ATOM 2289 C CE1 . PHE A 1 300 ? 27.230 5.572 16.303 1.00 16.34 ? 641 PHE A CE1 1 ATOM 2290 C CE2 . PHE A 1 300 ? 29.123 4.107 16.107 1.00 13.57 ? 641 PHE A CE2 1 ATOM 2291 C CZ . PHE A 1 300 ? 28.501 5.204 16.697 1.00 15.65 ? 641 PHE A CZ 1 ATOM 2292 N N . ASN A 1 301 ? 23.678 2.060 12.580 1.00 19.73 ? 642 ASN A N 1 ATOM 2293 C CA . ASN A 1 301 ? 22.988 1.596 11.382 1.00 20.10 ? 642 ASN A CA 1 ATOM 2294 C C . ASN A 1 301 ? 23.992 1.608 10.285 1.00 20.45 ? 642 ASN A C 1 ATOM 2295 O O . ASN A 1 301 ? 24.871 2.460 10.253 1.00 20.69 ? 642 ASN A O 1 ATOM 2296 C CB . ASN A 1 301 ? 21.870 2.535 10.990 1.00 19.85 ? 642 ASN A CB 1 ATOM 2297 C CG . ASN A 1 301 ? 20.587 2.166 11.627 1.00 20.38 ? 642 ASN A CG 1 ATOM 2298 O OD1 . ASN A 1 301 ? 20.204 0.990 11.637 1.00 20.43 ? 642 ASN A OD1 1 ATOM 2299 N ND2 . ASN A 1 301 ? 19.907 3.155 12.194 1.00 20.36 ? 642 ASN A ND2 1 ATOM 2300 N N . ASP A 1 302 ? 23.863 0.673 9.369 1.00 20.93 ? 643 ASP A N 1 ATOM 2301 C CA . ASP A 1 302 ? 24.831 0.591 8.313 1.00 21.40 ? 643 ASP A CA 1 ATOM 2302 C C . ASP A 1 302 ? 24.686 1.709 7.318 1.00 21.24 ? 643 ASP A C 1 ATOM 2303 O O . ASP A 1 302 ? 25.645 2.048 6.679 1.00 21.31 ? 643 ASP A O 1 ATOM 2304 C CB . ASP A 1 302 ? 24.780 -0.768 7.632 1.00 22.08 ? 643 ASP A CB 1 ATOM 2305 C CG . ASP A 1 302 ? 25.782 -1.728 8.213 1.00 23.31 ? 643 ASP A CG 1 ATOM 2306 O OD1 . ASP A 1 302 ? 26.197 -1.515 9.369 1.00 26.90 ? 643 ASP A OD1 1 ATOM 2307 O OD2 . ASP A 1 302 ? 26.229 -2.704 7.597 1.00 25.31 ? 643 ASP A OD2 1 ATOM 2308 N N . ASN A 1 303 ? 23.502 2.298 7.200 1.00 21.71 ? 644 ASN A N 1 ATOM 2309 C CA . ASN A 1 303 ? 23.298 3.383 6.229 1.00 22.05 ? 644 ASN A CA 1 ATOM 2310 C C . ASN A 1 303 ? 23.642 4.789 6.721 1.00 22.25 ? 644 ASN A C 1 ATOM 2311 O O . ASN A 1 303 ? 23.231 5.758 6.118 1.00 22.65 ? 644 ASN A O 1 ATOM 2312 C CB . ASN A 1 303 ? 21.861 3.373 5.672 1.00 22.07 ? 644 ASN A CB 1 ATOM 2313 C CG . ASN A 1 303 ? 20.807 3.694 6.732 1.00 21.75 ? 644 ASN A CG 1 ATOM 2314 O OD1 . ASN A 1 303 ? 21.122 4.094 7.855 1.00 21.78 ? 644 ASN A OD1 1 ATOM 2315 N ND2 . ASN A 1 303 ? 19.549 3.518 6.369 1.00 20.86 ? 644 ASN A ND2 1 ATOM 2316 N N . THR A 1 304 ? 24.395 4.907 7.805 1.00 22.53 ? 645 THR A N 1 ATOM 2317 C CA . THR A 1 304 ? 24.720 6.222 8.356 1.00 22.26 ? 645 THR A CA 1 ATOM 2318 C C . THR A 1 304 ? 25.775 6.973 7.572 1.00 22.44 ? 645 THR A C 1 ATOM 2319 O O . THR A 1 304 ? 26.903 6.511 7.436 1.00 22.63 ? 645 THR A O 1 ATOM 2320 C CB . THR A 1 304 ? 25.215 6.078 9.815 1.00 22.11 ? 645 THR A CB 1 ATOM 2321 O OG1 . THR A 1 304 ? 24.251 5.352 10.584 1.00 21.74 ? 645 THR A OG1 1 ATOM 2322 C CG2 . THR A 1 304 ? 25.268 7.425 10.494 1.00 21.17 ? 645 THR A CG2 1 ATOM 2323 N N . GLU A 1 305 ? 25.422 8.142 7.069 1.00 22.90 ? 646 GLU A N 1 ATOM 2324 C CA . GLU A 1 305 ? 26.416 8.979 6.425 1.00 23.73 ? 646 GLU A CA 1 ATOM 2325 C C . GLU A 1 305 ? 27.307 9.511 7.529 1.00 23.32 ? 646 GLU A C 1 ATOM 2326 O O . GLU A 1 305 ? 28.513 9.314 7.512 1.00 23.45 ? 646 GLU A O 1 ATOM 2327 C CB . GLU A 1 305 ? 25.784 10.142 5.663 1.00 24.25 ? 646 GLU A CB 1 ATOM 2328 C CG . GLU A 1 305 ? 26.773 10.865 4.760 1.00 27.66 ? 646 GLU A CG 1 ATOM 2329 C CD . GLU A 1 305 ? 26.189 12.082 4.060 1.00 32.10 ? 646 GLU A CD 1 ATOM 2330 O OE1 . GLU A 1 305 ? 24.955 12.100 3.798 1.00 34.07 ? 646 GLU A OE1 1 ATOM 2331 O OE2 . GLU A 1 305 ? 26.971 13.024 3.771 1.00 33.78 ? 646 GLU A OE2 1 ATOM 2332 N N . CYS A 1 306 ? 26.707 10.186 8.498 1.00 23.18 ? 647 CYS A N 1 ATOM 2333 C CA . CYS A 1 306 ? 27.469 10.685 9.628 1.00 23.21 ? 647 CYS A CA 1 ATOM 2334 C C . CYS A 1 306 ? 26.627 10.839 10.872 1.00 22.61 ? 647 CYS A C 1 ATOM 2335 O O . CYS A 1 306 ? 25.389 10.734 10.850 1.00 22.13 ? 647 CYS A O 1 ATOM 2336 C CB . CYS A 1 306 ? 28.060 12.056 9.332 1.00 23.92 ? 647 CYS A CB 1 ATOM 2337 S SG . CYS A 1 306 ? 26.801 13.311 9.447 1.00 25.85 ? 647 CYS A SG 1 ATOM 2338 N N . LEU A 1 307 ? 27.335 11.105 11.963 1.00 21.69 ? 648 LEU A N 1 ATOM 2339 C CA . LEU A 1 307 ? 26.709 11.444 13.204 1.00 20.93 ? 648 LEU A CA 1 ATOM 2340 C C . LEU A 1 307 ? 26.591 12.968 13.199 1.00 21.03 ? 648 LEU A C 1 ATOM 2341 O O . LEU A 1 307 ? 27.596 13.683 13.019 1.00 21.21 ? 648 LEU A O 1 ATOM 2342 C CB . LEU A 1 307 ? 27.583 10.979 14.340 1.00 20.75 ? 648 LEU A CB 1 ATOM 2343 C CG . LEU A 1 307 ? 27.679 9.476 14.493 1.00 20.34 ? 648 LEU A CG 1 ATOM 2344 C CD1 . LEU A 1 307 ? 28.691 9.193 15.570 1.00 20.14 ? 648 LEU A CD1 1 ATOM 2345 C CD2 . LEU A 1 307 ? 26.315 8.917 14.855 1.00 19.75 ? 648 LEU A CD2 1 ATOM 2346 N N . ALA A 1 308 ? 25.373 13.468 13.395 1.00 20.52 ? 649 ALA A N 1 ATOM 2347 C CA . ALA A 1 308 ? 25.109 14.904 13.313 1.00 20.55 ? 649 ALA A CA 1 ATOM 2348 C C . ALA A 1 308 ? 24.899 15.648 14.632 1.00 20.64 ? 649 ALA A C 1 ATOM 2349 O O . ALA A 1 308 ? 24.260 15.135 15.542 1.00 20.70 ? 649 ALA A O 1 ATOM 2350 C CB . ALA A 1 308 ? 23.917 15.157 12.386 1.00 20.24 ? 649 ALA A CB 1 ATOM 2351 N N . LYS A 1 309 ? 25.432 16.870 14.709 1.00 21.40 ? 650 LYS A N 1 ATOM 2352 C CA . LYS A 1 309 ? 25.222 17.761 15.863 1.00 21.99 ? 650 LYS A CA 1 ATOM 2353 C C . LYS A 1 309 ? 23.733 17.987 15.931 1.00 21.83 ? 650 LYS A C 1 ATOM 2354 O O . LYS A 1 309 ? 23.049 17.836 14.938 1.00 21.63 ? 650 LYS A O 1 ATOM 2355 C CB . LYS A 1 309 ? 25.951 19.105 15.702 1.00 22.08 ? 650 LYS A CB 1 ATOM 2356 C CG . LYS A 1 309 ? 27.468 19.047 15.906 1.00 23.81 ? 650 LYS A CG 1 ATOM 2357 C CD . LYS A 1 309 ? 28.100 20.445 15.889 1.00 27.24 ? 650 LYS A CD 1 ATOM 2358 C CE . LYS A 1 309 ? 29.624 20.369 15.639 1.00 29.27 ? 650 LYS A CE 1 ATOM 2359 N NZ . LYS A 1 309 ? 30.419 21.354 16.458 1.00 30.38 ? 650 LYS A NZ 1 ATOM 2360 N N . LEU A 1 310 ? 23.206 18.329 17.091 1.00 22.45 ? 651 LEU A N 1 ATOM 2361 C CA . LEU A 1 310 ? 21.763 18.432 17.180 1.00 23.18 ? 651 LEU A CA 1 ATOM 2362 C C . LEU A 1 310 ? 21.280 19.845 16.962 1.00 24.31 ? 651 LEU A C 1 ATOM 2363 O O . LEU A 1 310 ? 20.440 20.096 16.093 1.00 24.54 ? 651 LEU A O 1 ATOM 2364 C CB . LEU A 1 310 ? 21.250 17.817 18.473 1.00 23.13 ? 651 LEU A CB 1 ATOM 2365 C CG . LEU A 1 310 ? 21.476 16.299 18.506 1.00 22.12 ? 651 LEU A CG 1 ATOM 2366 C CD1 . LEU A 1 310 ? 20.481 15.699 19.456 1.00 20.54 ? 651 LEU A CD1 1 ATOM 2367 C CD2 . LEU A 1 310 ? 21.321 15.661 17.110 1.00 21.10 ? 651 LEU A CD2 1 ATOM 2368 N N . GLY A 1 311 ? 21.857 20.821 17.652 1.00 25.40 ? 652 GLY A N 1 ATOM 2369 C CA . GLY A 1 311 ? 21.462 22.180 17.294 1.00 26.45 ? 652 GLY A CA 1 ATOM 2370 C C . GLY A 1 311 ? 20.059 22.517 17.735 1.00 27.09 ? 652 GLY A C 1 ATOM 2371 O O . GLY A 1 311 ? 19.046 22.211 17.089 1.00 27.57 ? 652 GLY A O 1 ATOM 2372 N N . GLY A 1 312 ? 20.078 23.136 18.894 1.00 27.36 ? 653 GLY A N 1 ATOM 2373 C CA . GLY A 1 312 ? 18.956 23.532 19.641 1.00 26.83 ? 653 GLY A CA 1 ATOM 2374 C C . GLY A 1 312 ? 18.976 22.847 21.037 1.00 26.54 ? 653 GLY A C 1 ATOM 2375 O O . GLY A 1 312 ? 17.929 22.822 21.695 1.00 26.80 ? 653 GLY A O 1 ATOM 2376 N N . ARG A 1 313 ? 20.168 22.242 21.555 1.00 26.12 ? 654 ARG A N 1 ATOM 2377 C CA . ARG A 1 313 ? 20.374 21.468 22.885 1.00 26.16 ? 654 ARG A CA 1 ATOM 2378 C C . ARG A 1 313 ? 19.024 20.824 23.404 1.00 25.40 ? 654 ARG A C 1 ATOM 2379 O O . ARG A 1 313 ? 18.379 21.316 24.328 1.00 26.00 ? 654 ARG A O 1 ATOM 2380 C CB . ARG A 1 313 ? 21.128 22.412 23.852 1.00 26.36 ? 654 ARG A CB 1 ATOM 2381 C CG . ARG A 1 313 ? 22.387 23.084 23.244 1.00 27.55 ? 654 ARG A CG 1 ATOM 2382 C CD . ARG A 1 313 ? 23.656 22.965 24.098 1.00 32.65 ? 654 ARG A CD 1 ATOM 2383 N NE . ARG A 1 313 ? 24.865 23.357 23.349 1.00 37.68 ? 654 ARG A NE 1 ATOM 2384 C CZ . ARG A 1 313 ? 26.095 22.876 23.589 1.00 40.28 ? 654 ARG A CZ 1 ATOM 2385 N NH1 . ARG A 1 313 ? 26.273 22.000 24.570 1.00 40.18 ? 654 ARG A NH1 1 ATOM 2386 N NH2 . ARG A 1 313 ? 27.123 23.270 22.865 1.00 41.06 ? 654 ARG A NH2 1 ATOM 2387 N N . PRO A 1 314 ? 18.699 19.715 22.692 1.00 24.39 ? 655 PRO A N 1 ATOM 2388 C CA . PRO A 1 314 ? 17.413 19.001 22.823 1.00 23.76 ? 655 PRO A CA 1 ATOM 2389 C C . PRO A 1 314 ? 17.226 18.283 24.072 1.00 23.34 ? 655 PRO A C 1 ATOM 2390 O O . PRO A 1 314 ? 18.087 17.451 24.378 1.00 23.02 ? 655 PRO A O 1 ATOM 2391 C CB . PRO A 1 314 ? 17.443 17.920 21.767 1.00 23.65 ? 655 PRO A CB 1 ATOM 2392 C CG . PRO A 1 314 ? 18.097 18.653 20.675 1.00 23.52 ? 655 PRO A CG 1 ATOM 2393 C CD . PRO A 1 314 ? 18.852 19.830 21.243 1.00 24.23 ? 655 PRO A CD 1 ATOM 2394 N N . THR A 1 315 ? 16.218 18.494 24.820 1.00 23.07 ? 656 THR A N 1 ATOM 2395 C CA . THR A 1 315 ? 16.002 17.510 25.841 1.00 23.20 ? 656 THR A CA 1 ATOM 2396 C C . THR A 1 315 ? 15.297 16.371 25.136 1.00 23.42 ? 656 THR A C 1 ATOM 2397 O O . THR A 1 315 ? 14.659 16.559 24.102 1.00 23.50 ? 656 THR A O 1 ATOM 2398 C CB . THR A 1 315 ? 15.111 18.071 26.906 1.00 22.92 ? 656 THR A CB 1 ATOM 2399 O OG1 . THR A 1 315 ? 13.941 18.562 26.272 1.00 22.88 ? 656 THR A OG1 1 ATOM 2400 C CG2 . THR A 1 315 ? 15.733 19.317 27.501 1.00 22.23 ? 656 THR A CG2 1 ATOM 2401 N N . TYR A 1 316 ? 15.380 15.186 25.706 1.00 23.52 ? 657 TYR A N 1 ATOM 2402 C CA . TYR A 1 316 ? 14.864 14.034 25.015 1.00 23.39 ? 657 TYR A CA 1 ATOM 2403 C C . TYR A 1 316 ? 13.413 14.178 24.538 1.00 23.71 ? 657 TYR A C 1 ATOM 2404 O O . TYR A 1 316 ? 13.084 13.717 23.458 1.00 24.41 ? 657 TYR A O 1 ATOM 2405 C CB . TYR A 1 316 ? 15.094 12.783 25.848 1.00 23.20 ? 657 TYR A CB 1 ATOM 2406 C CG . TYR A 1 316 ? 14.033 12.495 26.857 1.00 23.43 ? 657 TYR A CG 1 ATOM 2407 C CD1 . TYR A 1 316 ? 13.028 11.580 26.584 1.00 24.77 ? 657 TYR A CD1 1 ATOM 2408 C CD2 . TYR A 1 316 ? 14.038 13.105 28.085 1.00 22.56 ? 657 TYR A CD2 1 ATOM 2409 C CE1 . TYR A 1 316 ? 12.055 11.300 27.516 1.00 24.98 ? 657 TYR A CE1 1 ATOM 2410 C CE2 . TYR A 1 316 ? 13.073 12.819 29.018 1.00 23.61 ? 657 TYR A CE2 1 ATOM 2411 C CZ . TYR A 1 316 ? 12.085 11.920 28.729 1.00 23.56 ? 657 TYR A CZ 1 ATOM 2412 O OH . TYR A 1 316 ? 11.109 11.633 29.657 1.00 25.86 ? 657 TYR A OH 1 ATOM 2413 N N . GLU A 1 317 ? 12.542 14.810 25.310 1.00 23.71 ? 658 GLU A N 1 ATOM 2414 C CA . GLU A 1 317 ? 11.165 14.950 24.862 1.00 23.74 ? 658 GLU A CA 1 ATOM 2415 C C . GLU A 1 317 ? 11.188 15.756 23.593 1.00 22.80 ? 658 GLU A C 1 ATOM 2416 O O . GLU A 1 317 ? 10.489 15.449 22.630 1.00 22.75 ? 658 GLU A O 1 ATOM 2417 C CB . GLU A 1 317 ? 10.312 15.651 25.913 1.00 24.42 ? 658 GLU A CB 1 ATOM 2418 C CG . GLU A 1 317 ? 10.331 14.941 27.254 1.00 28.48 ? 658 GLU A CG 1 ATOM 2419 C CD . GLU A 1 317 ? 9.688 15.743 28.375 1.00 34.92 ? 658 GLU A CD 1 ATOM 2420 O OE1 . GLU A 1 317 ? 9.930 16.984 28.487 1.00 35.64 ? 658 GLU A OE1 1 ATOM 2421 O OE2 . GLU A 1 317 ? 8.947 15.094 29.159 1.00 37.96 ? 658 GLU A OE2 1 ATOM 2422 N N . GLU A 1 318 ? 12.021 16.785 23.597 1.00 21.89 ? 659 GLU A N 1 ATOM 2423 C CA . GLU A 1 318 ? 12.164 17.655 22.441 1.00 21.08 ? 659 GLU A CA 1 ATOM 2424 C C . GLU A 1 318 ? 12.732 16.856 21.289 1.00 21.29 ? 659 GLU A C 1 ATOM 2425 O O . GLU A 1 318 ? 12.287 16.990 20.148 1.00 21.39 ? 659 GLU A O 1 ATOM 2426 C CB . GLU A 1 318 ? 13.108 18.817 22.748 1.00 20.40 ? 659 GLU A CB 1 ATOM 2427 C CG . GLU A 1 318 ? 12.435 20.054 23.269 1.00 17.68 ? 659 GLU A CG 1 ATOM 2428 C CD . GLU A 1 318 ? 13.385 20.975 24.001 1.00 16.50 ? 659 GLU A CD 1 ATOM 2429 O OE1 . GLU A 1 318 ? 14.344 20.480 24.644 1.00 14.60 ? 659 GLU A OE1 1 ATOM 2430 O OE2 . GLU A 1 318 ? 13.162 22.210 23.935 1.00 15.07 ? 659 GLU A OE2 1 ATOM 2431 N N . TYR A 1 319 ? 13.744 16.046 21.578 1.00 21.34 ? 660 TYR A N 1 ATOM 2432 C CA . TYR A 1 319 ? 14.310 15.225 20.521 1.00 21.21 ? 660 TYR A CA 1 ATOM 2433 C C . TYR A 1 319 ? 13.272 14.234 20.035 1.00 21.54 ? 660 TYR A C 1 ATOM 2434 O O . TYR A 1 319 ? 13.113 14.061 18.848 1.00 22.31 ? 660 TYR A O 1 ATOM 2435 C CB . TYR A 1 319 ? 15.630 14.524 20.892 1.00 20.58 ? 660 TYR A CB 1 ATOM 2436 C CG . TYR A 1 319 ? 16.184 13.765 19.714 1.00 18.58 ? 660 TYR A CG 1 ATOM 2437 C CD1 . TYR A 1 319 ? 16.933 14.403 18.744 1.00 18.06 ? 660 TYR A CD1 1 ATOM 2438 C CD2 . TYR A 1 319 ? 15.902 12.430 19.542 1.00 15.12 ? 660 TYR A CD2 1 ATOM 2439 C CE1 . TYR A 1 319 ? 17.407 13.708 17.658 1.00 17.74 ? 660 TYR A CE1 1 ATOM 2440 C CE2 . TYR A 1 319 ? 16.354 11.750 18.480 1.00 14.73 ? 660 TYR A CE2 1 ATOM 2441 C CZ . TYR A 1 319 ? 17.101 12.379 17.531 1.00 16.09 ? 660 TYR A CZ 1 ATOM 2442 O OH . TYR A 1 319 ? 17.552 11.665 16.446 1.00 16.67 ? 660 TYR A OH 1 ATOM 2443 N N . LEU A 1 320 ? 12.518 13.603 20.907 1.00 21.98 ? 661 LEU A N 1 ATOM 2444 C CA . LEU A 1 320 ? 11.609 12.622 20.349 1.00 23.12 ? 661 LEU A CA 1 ATOM 2445 C C . LEU A 1 320 ? 10.382 13.275 19.738 1.00 24.23 ? 661 LEU A C 1 ATOM 2446 O O . LEU A 1 320 ? 9.718 12.676 18.876 1.00 24.42 ? 661 LEU A O 1 ATOM 2447 C CB . LEU A 1 320 ? 11.240 11.540 21.358 1.00 22.91 ? 661 LEU A CB 1 ATOM 2448 C CG . LEU A 1 320 ? 12.431 10.753 21.892 1.00 22.30 ? 661 LEU A CG 1 ATOM 2449 C CD1 . LEU A 1 320 ? 11.952 9.966 23.067 1.00 24.77 ? 661 LEU A CD1 1 ATOM 2450 C CD2 . LEU A 1 320 ? 13.018 9.825 20.867 1.00 21.01 ? 661 LEU A CD2 1 ATOM 2451 N N . GLY A 1 321 ? 10.102 14.506 20.162 1.00 25.29 ? 662 GLY A N 1 ATOM 2452 C CA . GLY A 1 321 ? 8.957 15.241 19.659 1.00 26.84 ? 662 GLY A CA 1 ATOM 2453 C C . GLY A 1 321 ? 7.707 14.846 20.416 1.00 28.49 ? 662 GLY A C 1 ATOM 2454 O O . GLY A 1 321 ? 7.607 13.708 20.894 1.00 28.35 ? 662 GLY A O 1 ATOM 2455 N N . THR A 1 322 ? 6.751 15.773 20.522 1.00 30.14 ? 663 THR A N 1 ATOM 2456 C CA . THR A 1 322 ? 5.498 15.539 21.268 1.00 31.84 ? 663 THR A CA 1 ATOM 2457 C C . THR A 1 322 ? 4.600 14.466 20.656 1.00 32.63 ? 663 THR A C 1 ATOM 2458 O O . THR A 1 322 ? 3.939 13.720 21.380 1.00 32.58 ? 663 THR A O 1 ATOM 2459 C CB . THR A 1 322 ? 4.673 16.856 21.479 1.00 32.02 ? 663 THR A CB 1 ATOM 2460 O OG1 . THR A 1 322 ? 4.936 17.788 20.417 1.00 32.30 ? 663 THR A OG1 1 ATOM 2461 C CG2 . THR A 1 322 ? 5.137 17.589 22.728 1.00 32.17 ? 663 THR A CG2 1 ATOM 2462 N N . GLU A 1 323 ? 4.543 14.408 19.330 1.00 33.78 ? 664 GLU A N 1 ATOM 2463 C CA . GLU A 1 323 ? 3.793 13.336 18.693 1.00 34.91 ? 664 GLU A CA 1 ATOM 2464 C C . GLU A 1 323 ? 4.225 11.999 19.288 1.00 34.63 ? 664 GLU A C 1 ATOM 2465 O O . GLU A 1 323 ? 3.463 11.366 20.031 1.00 35.04 ? 664 GLU A O 1 ATOM 2466 C CB . GLU A 1 323 ? 3.981 13.323 17.175 1.00 35.31 ? 664 GLU A CB 1 ATOM 2467 C CG . GLU A 1 323 ? 2.908 14.101 16.433 1.00 38.79 ? 664 GLU A CG 1 ATOM 2468 C CD . GLU A 1 323 ? 2.698 13.617 15.004 1.00 42.80 ? 664 GLU A CD 1 ATOM 2469 O OE1 . GLU A 1 323 ? 2.386 12.419 14.811 1.00 43.58 ? 664 GLU A OE1 1 ATOM 2470 O OE2 . GLU A 1 323 ? 2.834 14.444 14.071 1.00 44.92 ? 664 GLU A OE2 1 ATOM 2471 N N . TYR A 1 324 ? 5.456 11.587 19.005 1.00 34.00 ? 665 TYR A N 1 ATOM 2472 C CA . TYR A 1 324 ? 5.922 10.281 19.466 1.00 33.78 ? 665 TYR A CA 1 ATOM 2473 C C . TYR A 1 324 ? 5.864 10.066 20.981 1.00 33.76 ? 665 TYR A C 1 ATOM 2474 O O . TYR A 1 324 ? 5.510 8.986 21.435 1.00 33.75 ? 665 TYR A O 1 ATOM 2475 C CB . TYR A 1 324 ? 7.320 9.995 18.931 1.00 33.59 ? 665 TYR A CB 1 ATOM 2476 C CG . TYR A 1 324 ? 7.827 8.572 19.110 1.00 33.03 ? 665 TYR A CG 1 ATOM 2477 C CD1 . TYR A 1 324 ? 6.982 7.473 19.083 1.00 32.03 ? 665 TYR A CD1 1 ATOM 2478 C CD2 . TYR A 1 324 ? 9.181 8.337 19.268 1.00 32.68 ? 665 TYR A CD2 1 ATOM 2479 C CE1 . TYR A 1 324 ? 7.493 6.193 19.230 1.00 31.71 ? 665 TYR A CE1 1 ATOM 2480 C CE2 . TYR A 1 324 ? 9.682 7.084 19.411 1.00 31.28 ? 665 TYR A CE2 1 ATOM 2481 C CZ . TYR A 1 324 ? 8.855 6.018 19.394 1.00 31.31 ? 665 TYR A CZ 1 ATOM 2482 O OH . TYR A 1 324 ? 9.437 4.780 19.555 1.00 32.94 ? 665 TYR A OH 1 ATOM 2483 N N . VAL A 1 325 ? 6.187 11.087 21.768 1.00 33.93 ? 666 VAL A N 1 ATOM 2484 C CA . VAL A 1 325 ? 6.183 10.898 23.214 1.00 33.65 ? 666 VAL A CA 1 ATOM 2485 C C . VAL A 1 325 ? 4.803 10.527 23.677 1.00 33.79 ? 666 VAL A C 1 ATOM 2486 O O . VAL A 1 325 ? 4.661 9.765 24.624 1.00 33.66 ? 666 VAL A O 1 ATOM 2487 C CB . VAL A 1 325 ? 6.645 12.129 24.009 1.00 33.46 ? 666 VAL A CB 1 ATOM 2488 C CG1 . VAL A 1 325 ? 6.339 11.929 25.469 1.00 34.10 ? 666 VAL A CG1 1 ATOM 2489 C CG2 . VAL A 1 325 ? 8.125 12.348 23.848 1.00 33.04 ? 666 VAL A CG2 1 ATOM 2490 N N . THR A 1 326 ? 3.773 11.054 23.030 1.00 34.03 ? 667 THR A N 1 ATOM 2491 C CA . THR A 1 326 ? 2.438 10.704 23.491 1.00 34.50 ? 667 THR A CA 1 ATOM 2492 C C . THR A 1 326 ? 2.124 9.260 23.145 1.00 34.50 ? 667 THR A C 1 ATOM 2493 O O . THR A 1 326 ? 1.700 8.485 23.998 1.00 34.83 ? 667 THR A O 1 ATOM 2494 C CB . THR A 1 326 ? 1.359 11.673 22.973 1.00 34.59 ? 667 THR A CB 1 ATOM 2495 O OG1 . THR A 1 326 ? 1.740 12.182 21.684 1.00 35.63 ? 667 THR A OG1 1 ATOM 2496 C CG2 . THR A 1 326 ? 1.309 12.909 23.859 1.00 33.85 ? 667 THR A CG2 1 ATOM 2497 N N . ALA A 1 327 ? 2.381 8.886 21.903 1.00 34.54 ? 668 ALA A N 1 ATOM 2498 C CA . ALA A 1 327 ? 2.085 7.537 21.451 1.00 34.57 ? 668 ALA A CA 1 ATOM 2499 C C . ALA A 1 327 ? 2.719 6.508 22.380 1.00 34.41 ? 668 ALA A C 1 ATOM 2500 O O . ALA A 1 327 ? 2.201 5.412 22.553 1.00 34.37 ? 668 ALA A O 1 ATOM 2501 C CB . ALA A 1 327 ? 2.561 7.347 20.014 1.00 34.55 ? 668 ALA A CB 1 ATOM 2502 N N . ILE A 1 328 ? 3.840 6.875 22.983 1.00 34.37 ? 669 ILE A N 1 ATOM 2503 C CA . ILE A 1 328 ? 4.532 5.975 23.890 1.00 34.70 ? 669 ILE A CA 1 ATOM 2504 C C . ILE A 1 328 ? 3.864 5.934 25.243 1.00 35.04 ? 669 ILE A C 1 ATOM 2505 O O . ILE A 1 328 ? 3.788 4.880 25.869 1.00 35.00 ? 669 ILE A O 1 ATOM 2506 C CB . ILE A 1 328 ? 5.984 6.391 24.069 1.00 34.68 ? 669 ILE A CB 1 ATOM 2507 C CG1 . ILE A 1 328 ? 6.765 6.162 22.778 1.00 34.81 ? 669 ILE A CG1 1 ATOM 2508 C CG2 . ILE A 1 328 ? 6.609 5.587 25.175 1.00 34.83 ? 669 ILE A CG2 1 ATOM 2509 C CD1 . ILE A 1 328 ? 8.150 6.756 22.813 1.00 34.95 ? 669 ILE A CD1 1 ATOM 2510 N N . ALA A 1 329 ? 3.391 7.089 25.700 1.00 35.44 ? 670 ALA A N 1 ATOM 2511 C CA . ALA A 1 329 ? 2.721 7.171 26.987 1.00 35.87 ? 670 ALA A CA 1 ATOM 2512 C C . ALA A 1 329 ? 1.461 6.303 27.022 1.00 36.32 ? 670 ALA A C 1 ATOM 2513 O O . ALA A 1 329 ? 1.309 5.443 27.894 1.00 36.15 ? 670 ALA A O 1 ATOM 2514 C CB . ALA A 1 329 ? 2.378 8.604 27.293 1.00 36.11 ? 670 ALA A CB 1 ATOM 2515 N N . ASN A 1 330 ? 0.568 6.530 26.062 1.00 36.87 ? 671 ASN A N 1 ATOM 2516 C CA . ASN A 1 330 ? -0.693 5.803 25.982 1.00 37.55 ? 671 ASN A CA 1 ATOM 2517 C C . ASN A 1 330 ? -0.495 4.298 25.915 1.00 37.60 ? 671 ASN A C 1 ATOM 2518 O O . ASN A 1 330 ? -1.332 3.531 26.388 1.00 37.78 ? 671 ASN A O 1 ATOM 2519 C CB . ASN A 1 330 ? -1.499 6.264 24.767 1.00 37.90 ? 671 ASN A CB 1 ATOM 2520 C CG . ASN A 1 330 ? -1.825 7.753 24.807 1.00 39.52 ? 671 ASN A CG 1 ATOM 2521 O OD1 . ASN A 1 330 ? -2.775 8.180 25.471 1.00 41.68 ? 671 ASN A OD1 1 ATOM 2522 N ND2 . ASN A 1 330 ? -1.043 8.548 24.086 1.00 40.88 ? 671 ASN A ND2 1 ATOM 2523 N N . LEU A 1 331 ? 0.619 3.882 25.325 1.00 37.76 ? 672 LEU A N 1 ATOM 2524 C CA . LEU A 1 331 ? 0.945 2.469 25.186 1.00 37.90 ? 672 LEU A CA 1 ATOM 2525 C C . LEU A 1 331 ? 1.463 1.863 26.492 1.00 38.29 ? 672 LEU A C 1 ATOM 2526 O O . LEU A 1 331 ? 1.220 0.701 26.783 1.00 37.89 ? 672 LEU A O 1 ATOM 2527 C CB . LEU A 1 331 ? 1.989 2.308 24.080 1.00 37.74 ? 672 LEU A CB 1 ATOM 2528 C CG . LEU A 1 331 ? 2.506 0.918 23.735 1.00 37.17 ? 672 LEU A CG 1 ATOM 2529 C CD1 . LEU A 1 331 ? 1.347 -0.003 23.440 1.00 37.09 ? 672 LEU A CD1 1 ATOM 2530 C CD2 . LEU A 1 331 ? 3.437 0.990 22.552 1.00 36.79 ? 672 LEU A CD2 1 ATOM 2531 N N . LYS A 1 332 ? 2.154 2.672 27.284 1.00 39.19 ? 673 LYS A N 1 ATOM 2532 C CA . LYS A 1 332 ? 2.790 2.207 28.505 1.00 40.44 ? 673 LYS A CA 1 ATOM 2533 C C . LYS A 1 332 ? 1.837 2.010 29.684 1.00 41.38 ? 673 LYS A C 1 ATOM 2534 O O . LYS A 1 332 ? 2.125 1.224 30.600 1.00 41.62 ? 673 LYS A O 1 ATOM 2535 C CB . LYS A 1 332 ? 3.910 3.169 28.895 1.00 40.76 ? 673 LYS A CB 1 ATOM 2536 C CG . LYS A 1 332 ? 5.111 3.167 27.942 1.00 41.89 ? 673 LYS A CG 1 ATOM 2537 C CD . LYS A 1 332 ? 5.963 1.911 28.138 1.00 43.32 ? 673 LYS A CD 1 ATOM 2538 C CE . LYS A 1 332 ? 7.110 1.846 27.135 1.00 43.07 ? 673 LYS A CE 1 ATOM 2539 N NZ . LYS A 1 332 ? 8.048 2.980 27.310 1.00 44.19 ? 673 LYS A NZ 1 ATOM 2540 N N . LYS A 1 333 ? 0.709 2.718 29.661 1.00 42.27 ? 674 LYS A N 1 ATOM 2541 C CA . LYS A 1 333 ? -0.290 2.578 30.715 1.00 43.29 ? 674 LYS A CA 1 ATOM 2542 C C . LYS A 1 333 ? -0.905 1.192 30.613 1.00 43.30 ? 674 LYS A C 1 ATOM 2543 O O . LYS A 1 333 ? -1.376 0.618 31.601 1.00 43.75 ? 674 LYS A O 1 ATOM 2544 C CB . LYS A 1 333 ? -1.365 3.669 30.598 1.00 43.57 ? 674 LYS A CB 1 ATOM 2545 C CG . LYS A 1 333 ? -2.415 3.440 29.511 1.00 45.18 ? 674 LYS A CG 1 ATOM 2546 C CD . LYS A 1 333 ? -3.405 4.624 29.479 1.00 48.12 ? 674 LYS A CD 1 ATOM 2547 C CE . LYS A 1 333 ? -4.482 4.436 28.411 1.00 50.18 ? 674 LYS A CE 1 ATOM 2548 N NZ . LYS A 1 333 ? -4.645 3.002 28.020 1.00 51.77 ? 674 LYS A NZ 1 ATOM 2549 N N . CYS A 1 334 ? -0.884 0.667 29.396 1.00 43.24 ? 675 CYS A N 1 ATOM 2550 C CA . CYS A 1 334 ? -1.383 -0.660 29.127 1.00 43.14 ? 675 CYS A CA 1 ATOM 2551 C C . CYS A 1 334 ? -0.535 -1.670 29.864 1.00 43.64 ? 675 CYS A C 1 ATOM 2552 O O . CYS A 1 334 ? -1.040 -2.703 30.311 1.00 43.70 ? 675 CYS A O 1 ATOM 2553 C CB . CYS A 1 334 ? -1.296 -0.965 27.635 1.00 42.92 ? 675 CYS A CB 1 ATOM 2554 S SG . CYS A 1 334 ? -2.803 -0.661 26.722 1.00 40.85 ? 675 CYS A SG 1 ATOM 2555 N N . SER A 1 335 ? 0.760 -1.386 29.980 1.00 44.10 ? 676 SER A N 1 ATOM 2556 C CA . SER A 1 335 ? 1.672 -2.350 30.602 1.00 44.73 ? 676 SER A CA 1 ATOM 2557 C C . SER A 1 335 ? 2.922 -1.703 31.188 1.00 44.58 ? 676 SER A C 1 ATOM 2558 O O . SER A 1 335 ? 2.847 -0.947 32.156 1.00 44.83 ? 676 SER A O 1 ATOM 2559 C CB . SER A 1 335 ? 2.078 -3.448 29.601 1.00 44.99 ? 676 SER A CB 1 ATOM 2560 O OG . SER A 1 335 ? 2.916 -2.930 28.574 1.00 45.87 ? 676 SER A OG 1 ATOM 2561 N N . LEU A 1 340 ? 3.822 6.930 33.918 1.00 53.52 ? 681 LEU A N 1 ATOM 2562 C CA . LEU A 1 340 ? 3.876 8.143 33.098 1.00 53.30 ? 681 LEU A CA 1 ATOM 2563 C C . LEU A 1 340 ? 5.062 9.016 33.539 1.00 53.04 ? 681 LEU A C 1 ATOM 2564 O O . LEU A 1 340 ? 5.257 10.140 33.050 1.00 53.42 ? 681 LEU A O 1 ATOM 2565 C CB . LEU A 1 340 ? 2.551 8.912 33.191 1.00 53.39 ? 681 LEU A CB 1 ATOM 2566 C CG . LEU A 1 340 ? 2.271 9.966 32.109 1.00 53.78 ? 681 LEU A CG 1 ATOM 2567 C CD1 . LEU A 1 340 ? 0.870 9.790 31.518 1.00 54.52 ? 681 LEU A CD1 1 ATOM 2568 C CD2 . LEU A 1 340 ? 2.460 11.393 32.664 1.00 54.04 ? 681 LEU A CD2 1 ATOM 2569 N N . GLU A 1 341 ? 5.865 8.468 34.460 1.00 52.27 ? 682 GLU A N 1 ATOM 2570 C CA . GLU A 1 341 ? 7.070 9.184 34.949 1.00 51.25 ? 682 GLU A CA 1 ATOM 2571 C C . GLU A 1 341 ? 7.985 8.283 35.787 1.00 50.25 ? 682 GLU A C 1 ATOM 2572 O O . GLU A 1 341 ? 7.600 7.887 36.890 1.00 50.16 ? 682 GLU A O 1 ATOM 2573 C CB . GLU A 1 341 ? 6.675 10.460 35.779 1.00 51.20 ? 682 GLU A CB 1 ATOM 2574 C CG . GLU A 1 341 ? 6.990 11.799 35.067 1.00 52.71 ? 682 GLU A CG 1 ATOM 2575 C CD . GLU A 1 341 ? 6.645 13.126 35.825 1.00 54.51 ? 682 GLU A CD 1 ATOM 2576 O OE1 . GLU A 1 341 ? 5.780 13.072 36.732 1.00 55.23 ? 682 GLU A OE1 1 ATOM 2577 O OE2 . GLU A 1 341 ? 7.242 14.189 35.496 1.00 54.95 ? 682 GLU A OE2 1 ATOM 2578 N N . ALA A 1 342 ? 9.275 7.962 35.418 1.00 48.61 ? 683 ALA A N 1 ATOM 2579 C CA . ALA A 1 342 ? 9.912 7.039 36.397 1.00 46.81 ? 683 ALA A CA 1 ATOM 2580 C C . ALA A 1 342 ? 11.476 6.730 36.743 1.00 45.37 ? 683 ALA A C 1 ATOM 2581 O O . ALA A 1 342 ? 11.958 7.060 37.821 1.00 45.30 ? 683 ALA A O 1 ATOM 2582 C CB . ALA A 1 342 ? 9.280 5.681 36.100 1.00 46.95 ? 683 ALA A CB 1 ATOM 2583 N N . CYS A 1 343 ? 12.158 6.081 35.746 1.00 43.56 ? 684 CYS A N 1 ATOM 2584 C CA . CYS A 1 343 ? 13.530 5.441 35.580 1.00 41.50 ? 684 CYS A CA 1 ATOM 2585 C C . CYS A 1 343 ? 13.213 4.043 36.029 1.00 41.55 ? 684 CYS A C 1 ATOM 2586 O O . CYS A 1 343 ? 13.374 3.600 37.166 1.00 40.88 ? 684 CYS A O 1 ATOM 2587 C CB . CYS A 1 343 ? 14.785 6.039 36.287 1.00 40.38 ? 684 CYS A CB 1 ATOM 2588 S SG . CYS A 1 343 ? 16.366 5.365 35.681 1.00 34.96 ? 684 CYS A SG 1 ATOM 2589 N N . ALA A 1 344 ? 12.724 3.393 34.937 1.00 41.66 ? 685 ALA A N 1 ATOM 2590 C CA . ALA A 1 344 ? 12.329 1.998 34.793 1.00 41.46 ? 685 ALA A CA 1 ATOM 2591 C C . ALA A 1 344 ? 13.367 1.099 35.438 1.00 41.34 ? 685 ALA A C 1 ATOM 2592 O O . ALA A 1 344 ? 13.353 -0.122 35.293 1.00 42.12 ? 685 ALA A O 1 ATOM 2593 C CB . ALA A 1 344 ? 12.154 1.622 33.328 1.00 41.65 ? 685 ALA A CB 1 ATOM 2594 N N . PHE A 1 345 ? 14.261 1.764 36.162 1.00 40.90 ? 686 PHE A N 1 ATOM 2595 C CA . PHE A 1 345 ? 15.332 1.046 36.848 1.00 40.56 ? 686 PHE A CA 1 ATOM 2596 C C . PHE A 1 345 ? 15.576 1.581 38.254 1.00 41.19 ? 686 PHE A C 1 ATOM 2597 O O . PHE A 1 345 ? 16.490 1.086 38.931 1.00 41.51 ? 686 PHE A O 1 ATOM 2598 C CB . PHE A 1 345 ? 16.625 1.110 36.031 1.00 40.10 ? 686 PHE A CB 1 ATOM 2599 C CG . PHE A 1 345 ? 16.463 0.638 34.615 1.00 37.94 ? 686 PHE A CG 1 ATOM 2600 C CD1 . PHE A 1 345 ? 16.124 -0.673 34.353 1.00 35.45 ? 686 PHE A CD1 1 ATOM 2601 C CD2 . PHE A 1 345 ? 16.635 1.509 33.561 1.00 35.66 ? 686 PHE A CD2 1 ATOM 2602 C CE1 . PHE A 1 345 ? 15.969 -1.106 33.073 1.00 35.97 ? 686 PHE A CE1 1 ATOM 2603 C CE2 . PHE A 1 345 ? 16.484 1.081 32.269 1.00 36.45 ? 686 PHE A CE2 1 ATOM 2604 C CZ . PHE A 1 345 ? 16.151 -0.233 32.021 1.00 36.91 ? 686 PHE A CZ 1 ATOM 2605 O OXT . PHE A 1 345 ? 14.877 2.502 38.712 1.00 41.38 ? 686 PHE A OXT 1 HETATM 2606 C C1 . NAG B 2 . ? 43.769 9.719 20.787 1.00 45.37 ? 1001 NAG A C1 1 HETATM 2607 C C2 . NAG B 2 . ? 43.910 9.836 19.272 1.00 47.49 ? 1001 NAG A C2 1 HETATM 2608 C C3 . NAG B 2 . ? 44.951 10.880 18.902 1.00 48.22 ? 1001 NAG A C3 1 HETATM 2609 C C4 . NAG B 2 . ? 44.658 12.210 19.593 1.00 48.11 ? 1001 NAG A C4 1 HETATM 2610 C C5 . NAG B 2 . ? 44.084 12.071 21.015 1.00 47.63 ? 1001 NAG A C5 1 HETATM 2611 C C6 . NAG B 2 . ? 43.291 13.335 21.354 1.00 47.26 ? 1001 NAG A C6 1 HETATM 2612 C C7 . NAG B 2 . ? 43.584 8.238 17.535 1.00 49.41 ? 1001 NAG A C7 1 HETATM 2613 C C8 . NAG B 2 . ? 44.255 7.257 16.621 1.00 49.88 ? 1001 NAG A C8 1 HETATM 2614 N N2 . NAG B 2 . ? 44.234 8.571 18.649 1.00 47.86 ? 1001 NAG A N2 1 HETATM 2615 O O3 . NAG B 2 . ? 44.937 11.085 17.502 1.00 48.74 ? 1001 NAG A O3 1 HETATM 2616 O O4 . NAG B 2 . ? 45.848 12.983 19.614 1.00 49.26 ? 1001 NAG A O4 1 HETATM 2617 O O5 . NAG B 2 . ? 43.217 10.954 21.187 1.00 46.45 ? 1001 NAG A O5 1 HETATM 2618 O O6 . NAG B 2 . ? 42.809 13.891 20.147 1.00 46.75 ? 1001 NAG A O6 1 HETATM 2619 O O7 . NAG B 2 . ? 42.480 8.705 17.243 1.00 50.31 ? 1001 NAG A O7 1 HETATM 2620 C C1 . NAG C 2 . ? -3.509 6.428 20.834 1.00 48.59 ? 2 NAG A C1 1 HETATM 2621 C C2 . NAG C 2 . ? -2.642 7.312 19.939 1.00 51.25 ? 2 NAG A C2 1 HETATM 2622 C C3 . NAG C 2 . ? -2.339 8.664 20.592 1.00 52.80 ? 2 NAG A C3 1 HETATM 2623 C C4 . NAG C 2 . ? -3.618 9.384 21.017 1.00 54.98 ? 2 NAG A C4 1 HETATM 2624 C C5 . NAG C 2 . ? -4.319 8.392 21.958 1.00 53.90 ? 2 NAG A C5 1 HETATM 2625 C C6 . NAG C 2 . ? -5.583 8.970 22.592 1.00 53.35 ? 2 NAG A C6 1 HETATM 2626 C C7 . NAG C 2 . ? -1.037 6.348 18.379 1.00 49.44 ? 2 NAG A C7 1 HETATM 2627 C C8 . NAG C 2 . ? 0.134 5.434 18.192 1.00 48.47 ? 2 NAG A C8 1 HETATM 2628 N N2 . NAG C 2 . ? -1.414 6.597 19.629 1.00 50.73 ? 2 NAG A N2 1 HETATM 2629 O O3 . NAG C 2 . ? -1.580 9.468 19.725 1.00 53.03 ? 2 NAG A O3 1 HETATM 2630 O O4 . NAG C 2 . ? -3.311 10.588 21.717 1.00 59.13 ? 2 NAG A O4 1 HETATM 2631 O O5 . NAG C 2 . ? -4.627 7.159 21.308 1.00 51.71 ? 2 NAG A O5 1 HETATM 2632 O O6 . NAG C 2 . ? -6.100 9.993 21.773 1.00 53.55 ? 2 NAG A O6 1 HETATM 2633 O O7 . NAG C 2 . ? -1.608 6.840 17.413 1.00 49.22 ? 2 NAG A O7 1 HETATM 2634 C C1 . NAG D 2 . ? -3.608 11.870 21.089 1.00 62.79 ? 3 NAG A C1 1 HETATM 2635 C C2 . NAG D 2 . ? -3.562 12.977 22.154 1.00 63.86 ? 3 NAG A C2 1 HETATM 2636 C C3 . NAG D 2 . ? -3.975 14.324 21.571 1.00 65.55 ? 3 NAG A C3 1 HETATM 2637 C C4 . NAG D 2 . ? -2.904 14.698 20.565 1.00 67.93 ? 3 NAG A C4 1 HETATM 2638 C C5 . NAG D 2 . ? -2.785 13.566 19.528 1.00 67.11 ? 3 NAG A C5 1 HETATM 2639 C C6 . NAG D 2 . ? -1.566 13.811 18.632 1.00 67.43 ? 3 NAG A C6 1 HETATM 2640 C C7 . NAG D 2 . ? -3.644 12.110 24.372 1.00 63.04 ? 3 NAG A C7 1 HETATM 2641 C C8 . NAG D 2 . ? -4.431 11.522 25.509 1.00 63.43 ? 3 NAG A C8 1 HETATM 2642 N N2 . NAG D 2 . ? -4.309 12.634 23.350 1.00 63.13 ? 3 NAG A N2 1 HETATM 2643 O O3 . NAG D 2 . ? -4.026 15.325 22.559 1.00 65.42 ? 3 NAG A O3 1 HETATM 2644 O O4 . NAG D 2 . ? -3.189 15.964 19.966 1.00 71.44 ? 3 NAG A O4 1 HETATM 2645 O O5 . NAG D 2 . ? -2.696 12.240 20.070 1.00 64.75 ? 3 NAG A O5 1 HETATM 2646 O O6 . NAG D 2 . ? -0.409 13.217 19.187 1.00 67.76 ? 3 NAG A O6 1 HETATM 2647 O O7 . NAG D 2 . ? -2.418 12.093 24.397 1.00 63.33 ? 3 NAG A O7 1 HETATM 2648 C C1 . MAN E 3 . ? -2.271 17.026 20.351 1.00 73.79 ? 4 MAN A C1 1 HETATM 2649 C C2 . MAN E 3 . ? -1.856 17.779 19.075 1.00 74.83 ? 4 MAN A C2 1 HETATM 2650 C C3 . MAN E 3 . ? -1.404 19.226 19.275 1.00 75.42 ? 4 MAN A C3 1 HETATM 2651 C C4 . MAN E 3 . ? -2.383 19.887 20.229 1.00 75.68 ? 4 MAN A C4 1 HETATM 2652 C C5 . MAN E 3 . ? -2.244 19.126 21.535 1.00 75.62 ? 4 MAN A C5 1 HETATM 2653 C C6 . MAN E 3 . ? -2.923 19.860 22.685 1.00 76.39 ? 4 MAN A C6 1 HETATM 2654 O O2 . MAN E 3 . ? -2.955 17.768 18.191 1.00 76.20 ? 4 MAN A O2 1 HETATM 2655 O O3 . MAN E 3 . ? -1.326 19.917 18.039 1.00 74.70 ? 4 MAN A O3 1 HETATM 2656 O O4 . MAN E 3 . ? -2.096 21.255 20.406 1.00 76.42 ? 4 MAN A O4 1 HETATM 2657 O O5 . MAN E 3 . ? -2.824 17.848 21.371 1.00 74.50 ? 4 MAN A O5 1 HETATM 2658 O O6 . MAN E 3 . ? -3.051 18.980 23.779 1.00 76.62 ? 4 MAN A O6 1 HETATM 2659 C C1 . NAG F 2 . ? 13.250 4.503 1.270 1.00 31.66 ? 5 NAG A C1 1 HETATM 2660 C C2 . NAG F 2 . ? 13.470 5.906 0.633 1.00 34.65 ? 5 NAG A C2 1 HETATM 2661 C C3 . NAG F 2 . ? 14.631 6.045 -0.366 1.00 38.47 ? 5 NAG A C3 1 HETATM 2662 C C4 . NAG F 2 . ? 15.865 5.233 0.000 1.00 40.45 ? 5 NAG A C4 1 HETATM 2663 C C5 . NAG F 2 . ? 15.503 3.954 0.729 1.00 36.64 ? 5 NAG A C5 1 HETATM 2664 C C6 . NAG F 2 . ? 16.762 3.360 1.348 1.00 35.40 ? 5 NAG A C6 1 HETATM 2665 C C7 . NAG F 2 . ? 11.423 7.121 0.686 1.00 32.81 ? 5 NAG A C7 1 HETATM 2666 C C8 . NAG F 2 . ? 10.065 7.348 0.096 1.00 32.72 ? 5 NAG A C8 1 HETATM 2667 N N2 . NAG F 2 . ? 12.286 6.416 -0.028 1.00 32.84 ? 5 NAG A N2 1 HETATM 2668 O O3 . NAG F 2 . ? 15.011 7.407 -0.448 1.00 40.31 ? 5 NAG A O3 1 HETATM 2669 O O4 . NAG F 2 . ? 16.552 4.870 -1.174 1.00 48.79 ? 5 NAG A O4 1 HETATM 2670 O O5 . NAG F 2 . ? 14.538 4.159 1.739 1.00 33.10 ? 5 NAG A O5 1 HETATM 2671 O O6 . NAG F 2 . ? 17.527 4.369 1.967 1.00 35.47 ? 5 NAG A O6 1 HETATM 2672 O O7 . NAG F 2 . ? 11.711 7.571 1.793 1.00 32.05 ? 5 NAG A O7 1 HETATM 2673 C C1 . NAG G 2 . ? 17.855 5.451 -1.174 1.00 56.87 ? 6 NAG A C1 1 HETATM 2674 C C2 . NAG G 2 . ? 18.641 4.807 -2.310 1.00 60.73 ? 6 NAG A C2 1 HETATM 2675 C C3 . NAG G 2 . ? 19.728 5.692 -2.909 1.00 64.31 ? 6 NAG A C3 1 HETATM 2676 C C4 . NAG G 2 . ? 19.118 7.074 -3.143 1.00 67.31 ? 6 NAG A C4 1 HETATM 2677 C C5 . NAG G 2 . ? 18.712 7.594 -1.779 1.00 64.93 ? 6 NAG A C5 1 HETATM 2678 C C6 . NAG G 2 . ? 18.211 9.027 -1.888 1.00 65.20 ? 6 NAG A C6 1 HETATM 2679 C C7 . NAG G 2 . ? 19.028 2.410 -2.480 1.00 63.55 ? 6 NAG A C7 1 HETATM 2680 C C8 . NAG G 2 . ? 19.433 1.143 -1.781 1.00 63.90 ? 6 NAG A C8 1 HETATM 2681 N N2 . NAG G 2 . ? 19.215 3.563 -1.833 1.00 62.23 ? 6 NAG A N2 1 HETATM 2682 O O3 . NAG G 2 . ? 20.178 5.081 -4.100 1.00 64.33 ? 6 NAG A O3 1 HETATM 2683 O O4 . NAG G 2 . ? 19.901 8.088 -3.772 1.00 74.05 ? 6 NAG A O4 1 HETATM 2684 O O5 . NAG G 2 . ? 17.643 6.826 -1.302 1.00 60.70 ? 6 NAG A O5 1 HETATM 2685 O O6 . NAG G 2 . ? 16.818 9.009 -2.125 1.00 65.74 ? 6 NAG A O6 1 HETATM 2686 O O7 . NAG G 2 . ? 18.540 2.347 -3.604 1.00 64.53 ? 6 NAG A O7 1 HETATM 2687 C C1 . MAN H 3 . ? 21.204 7.665 -4.201 1.00 79.67 ? 7 MAN A C1 1 HETATM 2688 C C2 . MAN H 3 . ? 21.906 8.660 -5.121 1.00 82.07 ? 7 MAN A C2 1 HETATM 2689 C C3 . MAN H 3 . ? 23.361 8.224 -5.380 1.00 84.53 ? 7 MAN A C3 1 HETATM 2690 C C4 . MAN H 3 . ? 23.724 6.837 -4.830 1.00 87.23 ? 7 MAN A C4 1 HETATM 2691 C C5 . MAN H 3 . ? 22.910 6.402 -3.611 1.00 85.69 ? 7 MAN A C5 1 HETATM 2692 C C6 . MAN H 3 . ? 23.735 5.763 -2.495 1.00 85.83 ? 7 MAN A C6 1 HETATM 2693 O O2 . MAN H 3 . ? 21.852 9.956 -4.559 1.00 82.09 ? 7 MAN A O2 1 HETATM 2694 O O3 . MAN H 3 . ? 24.289 9.160 -4.871 1.00 84.24 ? 7 MAN A O3 1 HETATM 2695 O O4 . MAN H 3 . ? 23.433 5.863 -5.803 1.00 92.63 ? 7 MAN A O4 1 HETATM 2696 O O5 . MAN H 3 . ? 22.084 7.435 -3.142 1.00 82.74 ? 7 MAN A O5 1 HETATM 2697 O O6 . MAN H 3 . ? 22.926 4.807 -1.845 1.00 86.02 ? 7 MAN A O6 1 HETATM 2698 C C1 . MAN I 3 . ? 24.584 5.128 -6.243 1.00 97.58 ? 8 MAN A C1 1 HETATM 2699 C C2 . MAN I 3 . ? 24.176 4.632 -7.613 1.00 100.03 ? 8 MAN A C2 1 HETATM 2700 C C3 . MAN I 3 . ? 23.445 3.286 -7.563 1.00 102.14 ? 8 MAN A C3 1 HETATM 2701 C C4 . MAN I 3 . ? 23.057 2.720 -6.179 1.00 103.74 ? 8 MAN A C4 1 HETATM 2702 C C5 . MAN I 3 . ? 23.863 3.265 -5.007 1.00 102.32 ? 8 MAN A C5 1 HETATM 2703 C C6 . MAN I 3 . ? 24.269 2.114 -4.087 1.00 102.85 ? 8 MAN A C6 1 HETATM 2704 O O2 . MAN I 3 . ? 25.312 4.564 -8.451 1.00 100.95 ? 8 MAN A O2 1 HETATM 2705 O O3 . MAN I 3 . ? 24.264 2.341 -8.215 1.00 102.14 ? 8 MAN A O3 1 HETATM 2706 O O4 . MAN I 3 . ? 21.688 2.882 -5.824 1.00 107.92 ? 8 MAN A O4 1 HETATM 2707 O O5 . MAN I 3 . ? 24.969 4.022 -5.450 1.00 99.53 ? 8 MAN A O5 1 HETATM 2708 O O6 . MAN I 3 . ? 25.069 2.555 -3.012 1.00 103.39 ? 8 MAN A O6 1 HETATM 2709 C C1 . MAN J 3 . ? 20.752 2.088 -6.599 1.00 111.88 ? 9 MAN A C1 1 HETATM 2710 C C2 . MAN J 3 . ? 19.996 1.040 -5.775 1.00 113.21 ? 9 MAN A C2 1 HETATM 2711 C C3 . MAN J 3 . ? 20.620 -0.357 -5.746 1.00 114.89 ? 9 MAN A C3 1 HETATM 2712 C C4 . MAN J 3 . ? 21.816 -0.561 -6.679 1.00 116.44 ? 9 MAN A C4 1 HETATM 2713 C C5 . MAN J 3 . ? 21.695 0.262 -7.973 1.00 116.05 ? 9 MAN A C5 1 HETATM 2714 C C6 . MAN J 3 . ? 20.773 -0.394 -9.000 1.00 116.83 ? 9 MAN A C6 1 HETATM 2715 O O2 . MAN J 3 . ? 18.678 0.943 -6.277 1.00 112.71 ? 9 MAN A O2 1 HETATM 2716 O O3 . MAN J 3 . ? 19.627 -1.308 -6.068 1.00 114.75 ? 9 MAN A O3 1 HETATM 2717 O O4 . MAN J 3 . ? 23.040 -0.360 -5.966 1.00 118.75 ? 9 MAN A O4 1 HETATM 2718 O O5 . MAN J 3 . ? 21.258 1.607 -7.828 1.00 114.22 ? 9 MAN A O5 1 HETATM 2719 O O6 . MAN J 3 . ? 19.934 0.576 -9.595 1.00 117.74 ? 9 MAN A O6 1 HETATM 2720 C C1 . MAN K 3 . ? 24.230 -0.834 -6.664 1.00 120.92 ? 10 MAN A C1 1 HETATM 2721 C C2 . MAN K 3 . ? 24.452 -2.355 -6.560 1.00 121.88 ? 10 MAN A C2 1 HETATM 2722 C C3 . MAN K 3 . ? 25.379 -2.799 -5.421 1.00 122.43 ? 10 MAN A C3 1 HETATM 2723 C C4 . MAN K 3 . ? 26.591 -1.894 -5.270 1.00 122.61 ? 10 MAN A C4 1 HETATM 2724 C C5 . MAN K 3 . ? 26.155 -0.435 -5.210 1.00 122.52 ? 10 MAN A C5 1 HETATM 2725 C C6 . MAN K 3 . ? 27.379 0.479 -5.138 1.00 122.88 ? 10 MAN A C6 1 HETATM 2726 O O2 . MAN K 3 . ? 24.958 -2.841 -7.791 1.00 122.02 ? 10 MAN A O2 1 HETATM 2727 O O3 . MAN K 3 . ? 25.839 -4.117 -5.640 1.00 122.69 ? 10 MAN A O3 1 HETATM 2728 O O4 . MAN K 3 . ? 27.294 -2.252 -4.098 1.00 122.80 ? 10 MAN A O4 1 HETATM 2729 O O5 . MAN K 3 . ? 25.405 -0.086 -6.363 1.00 121.73 ? 10 MAN A O5 1 HETATM 2730 O O6 . MAN K 3 . ? 27.629 0.897 -3.813 1.00 123.05 ? 10 MAN A O6 1 HETATM 2731 C C1 . MAN L 3 . ? 11.008 14.600 14.072 1.00 40.37 ? 701 MAN A C1 1 HETATM 2732 C C2 . MAN L 3 . ? 9.927 15.087 15.038 1.00 40.52 ? 701 MAN A C2 1 HETATM 2733 C C3 . MAN L 3 . ? 10.405 16.327 15.803 1.00 40.57 ? 701 MAN A C3 1 HETATM 2734 C C4 . MAN L 3 . ? 11.775 16.067 16.439 1.00 40.01 ? 701 MAN A C4 1 HETATM 2735 C C5 . MAN L 3 . ? 12.729 15.563 15.346 1.00 40.24 ? 701 MAN A C5 1 HETATM 2736 C C6 . MAN L 3 . ? 14.164 15.393 15.855 1.00 38.71 ? 701 MAN A C6 1 HETATM 2737 O O1 . MAN L 3 . ? 10.581 13.436 13.393 1.00 40.19 ? 701 MAN A O1 1 HETATM 2738 O O2 . MAN L 3 . ? 9.631 14.044 15.950 1.00 42.37 ? 701 MAN A O2 1 HETATM 2739 O O3 . MAN L 3 . ? 9.458 16.723 16.782 1.00 40.39 ? 701 MAN A O3 1 HETATM 2740 O O4 . MAN L 3 . ? 12.284 17.245 17.037 1.00 40.54 ? 701 MAN A O4 1 HETATM 2741 O O5 . MAN L 3 . ? 12.214 14.349 14.794 1.00 40.70 ? 701 MAN A O5 1 HETATM 2742 O O6 . MAN L 3 . ? 14.269 14.215 16.626 1.00 37.00 ? 701 MAN A O6 1 HETATM 2743 ZN ZN . ZN M 4 . ? 14.409 23.401 24.349 1.00 30.62 ? 1101 ZN A ZN 1 HETATM 2744 ZN ZN . ZN N 4 . ? 3.177 10.707 7.339 1.00 37.20 ? 1102 ZN A ZN 1 HETATM 2745 FE FE . FE O 5 . ? 14.559 2.379 15.001 1.00 22.07 ? 1687 FE A FE 1 HETATM 2746 C C . CO3 P 6 . ? 13.312 0.488 15.442 1.00 17.81 ? 1688 CO3 A C 1 HETATM 2747 O O1 . CO3 P 6 . ? 14.606 0.320 15.407 1.00 17.34 ? 1688 CO3 A O1 1 HETATM 2748 O O2 . CO3 P 6 . ? 12.790 1.689 15.398 1.00 17.20 ? 1688 CO3 A O2 1 HETATM 2749 O O3 . CO3 P 6 . ? 12.542 -0.561 15.513 1.00 18.21 ? 1688 CO3 A O3 1 HETATM 2750 S S . SO4 Q 7 . ? -1.361 -6.439 -4.591 1.00 69.92 ? 1689 SO4 A S 1 HETATM 2751 O O1 . SO4 Q 7 . ? -0.880 -5.406 -3.678 1.00 70.32 ? 1689 SO4 A O1 1 HETATM 2752 O O2 . SO4 Q 7 . ? -2.790 -6.248 -4.805 1.00 69.57 ? 1689 SO4 A O2 1 HETATM 2753 O O3 . SO4 Q 7 . ? -0.646 -6.302 -5.857 1.00 70.14 ? 1689 SO4 A O3 1 HETATM 2754 O O4 . SO4 Q 7 . ? -1.132 -7.760 -4.012 1.00 69.15 ? 1689 SO4 A O4 1 HETATM 2755 O O . HOH R 8 . ? 19.331 -0.371 13.948 1.00 16.83 ? 1690 HOH A O 1 HETATM 2756 O O . HOH R 8 . ? 18.186 -9.632 -5.183 1.00 30.60 ? 1691 HOH A O 1 HETATM 2757 O O . HOH R 8 . ? 19.060 -5.039 11.849 1.00 13.22 ? 1692 HOH A O 1 HETATM 2758 O O . HOH R 8 . ? 3.875 -11.848 3.759 1.00 25.26 ? 1693 HOH A O 1 HETATM 2759 O O . HOH R 8 . ? 23.182 20.491 -4.187 1.00 30.99 ? 1694 HOH A O 1 HETATM 2760 O O . HOH R 8 . ? 11.453 -19.462 13.670 1.00 32.76 ? 1695 HOH A O 1 HETATM 2761 O O . HOH R 8 . ? -3.067 -1.798 4.467 1.00 32.46 ? 1696 HOH A O 1 HETATM 2762 O O . HOH R 8 . ? -0.379 23.091 17.193 1.00 26.76 ? 1697 HOH A O 1 HETATM 2763 O O . HOH R 8 . ? 6.959 7.363 -1.607 1.00 33.58 ? 1698 HOH A O 1 HETATM 2764 O O . HOH R 8 . ? 5.720 -12.405 -3.354 1.00 51.35 ? 1699 HOH A O 1 HETATM 2765 O O . HOH R 8 . ? 26.139 1.752 19.677 1.00 27.70 ? 1700 HOH A O 1 HETATM 2766 O O . HOH R 8 . ? 12.722 5.959 5.901 1.00 19.40 ? 1701 HOH A O 1 HETATM 2767 O O . HOH R 8 . ? 32.496 4.227 8.156 1.00 36.82 ? 1702 HOH A O 1 HETATM 2768 O O . HOH R 8 . ? -6.888 1.981 10.543 1.00 32.59 ? 1703 HOH A O 1 HETATM 2769 O O . HOH R 8 . ? 25.832 -8.218 19.304 1.00 33.93 ? 1704 HOH A O 1 HETATM 2770 O O . HOH R 8 . ? 30.359 20.641 2.616 1.00 41.53 ? 1705 HOH A O 1 HETATM 2771 O O . HOH R 8 . ? 30.666 10.217 8.988 1.00 43.69 ? 1706 HOH A O 1 HETATM 2772 O O . HOH R 8 . ? 14.225 18.261 14.020 1.00 27.79 ? 1707 HOH A O 1 HETATM 2773 O O . HOH R 8 . ? 30.524 23.420 22.519 1.00 52.39 ? 1708 HOH A O 1 HETATM 2774 O O . HOH R 8 . ? 16.162 9.477 0.663 1.00 46.36 ? 1709 HOH A O 1 HETATM 2775 O O . HOH R 8 . ? -0.843 3.950 21.748 1.00 47.36 ? 1710 HOH A O 1 HETATM 2776 O O . HOH R 8 . ? -8.910 -7.553 3.684 1.00 32.91 ? 1711 HOH A O 1 HETATM 2777 O O . HOH R 8 . ? 18.014 -2.163 7.853 1.00 30.97 ? 1712 HOH A O 1 HETATM 2778 O O . HOH R 8 . ? 17.198 5.043 8.329 1.00 33.04 ? 1713 HOH A O 1 HETATM 2779 O O . HOH R 8 . ? 19.073 17.651 14.063 1.00 31.50 ? 1714 HOH A O 1 HETATM 2780 O O . HOH R 8 . ? 6.796 -0.114 11.501 1.00 21.71 ? 1715 HOH A O 1 HETATM 2781 O O . HOH R 8 . ? 32.043 -4.907 29.871 1.00 56.17 ? 1716 HOH A O 1 HETATM 2782 O O . HOH R 8 . ? 10.791 -11.592 -8.880 1.00 45.69 ? 1717 HOH A O 1 HETATM 2783 O O . HOH R 8 . ? 9.915 2.273 24.977 1.00 36.23 ? 1718 HOH A O 1 HETATM 2784 O O . HOH R 8 . ? 15.987 -4.021 26.221 1.00 61.26 ? 1719 HOH A O 1 HETATM 2785 O O . HOH R 8 . ? 29.850 16.238 4.572 1.00 53.38 ? 1720 HOH A O 1 HETATM 2786 O O . HOH R 8 . ? 3.723 10.466 12.438 1.00 38.08 ? 1721 HOH A O 1 HETATM 2787 O O . HOH R 8 . ? 24.055 -7.662 30.495 1.00 34.77 ? 1722 HOH A O 1 HETATM 2788 O O . HOH R 8 . ? 1.152 7.777 4.639 1.00 54.89 ? 1723 HOH A O 1 HETATM 2789 O O . HOH R 8 . ? 17.313 -15.042 -1.526 1.00 48.75 ? 1724 HOH A O 1 HETATM 2790 O O . HOH R 8 . ? 11.301 -10.541 14.486 1.00 12.52 ? 1725 HOH A O 1 HETATM 2791 O O . HOH R 8 . ? 9.990 7.247 39.686 1.00 57.02 ? 1726 HOH A O 1 HETATM 2792 O O . HOH R 8 . ? 37.156 13.793 30.760 1.00 37.83 ? 1727 HOH A O 1 HETATM 2793 O O . HOH R 8 . ? -8.014 1.076 26.712 1.00 29.25 ? 1728 HOH A O 1 HETATM 2794 O O . HOH R 8 . ? 20.171 -1.145 21.108 1.00 29.37 ? 1729 HOH A O 1 HETATM 2795 O O . HOH R 8 . ? -4.029 4.426 24.854 1.00 50.81 ? 1730 HOH A O 1 HETATM 2796 O O . HOH R 8 . ? 43.076 8.083 30.326 1.00 58.69 ? 1731 HOH A O 1 HETATM 2797 O O . HOH R 8 . ? -11.052 -5.080 9.902 1.00 55.17 ? 1732 HOH A O 1 HETATM 2798 O O . HOH R 8 . ? 25.364 -15.241 5.496 1.00 57.44 ? 1733 HOH A O 1 HETATM 2799 O O . HOH R 8 . ? 6.559 -21.970 15.986 1.00 31.85 ? 1734 HOH A O 1 HETATM 2800 O O . HOH R 8 . ? 5.255 13.311 28.573 1.00 83.02 ? 1735 HOH A O 1 HETATM 2801 O O . HOH R 8 . ? 15.879 -18.513 3.596 1.00 51.42 ? 1736 HOH A O 1 HETATM 2802 O O . HOH R 8 . ? 25.505 -16.201 0.429 1.00 51.51 ? 1737 HOH A O 1 HETATM 2803 O O . HOH R 8 . ? 23.545 -13.049 25.434 1.00 51.76 ? 1738 HOH A O 1 HETATM 2804 O O . HOH R 8 . ? 21.219 0.670 7.782 1.00 44.93 ? 1739 HOH A O 1 HETATM 2805 O O . HOH R 8 . ? 19.835 -13.010 10.958 1.00 25.82 ? 1740 HOH A O 1 HETATM 2806 O O . HOH R 8 . ? 16.437 12.620 0.301 1.00 61.75 ? 1741 HOH A O 1 HETATM 2807 O O . HOH R 8 . ? 15.617 23.284 22.459 1.00 46.49 ? 1742 HOH A O 1 HETATM 2808 O O . HOH R 8 . ? 26.440 18.898 24.088 1.00 40.55 ? 1743 HOH A O 1 HETATM 2809 O O . HOH R 8 . ? 21.520 -4.571 15.197 1.00 40.77 ? 1744 HOH A O 1 HETATM 2810 O O . HOH R 8 . ? 18.190 -7.364 30.803 1.00 56.32 ? 1745 HOH A O 1 HETATM 2811 O O . HOH R 8 . ? 29.015 7.479 32.815 1.00 25.60 ? 1746 HOH A O 1 HETATM 2812 O O . HOH R 8 . ? 3.364 0.693 6.022 1.00 15.30 ? 1747 HOH A O 1 HETATM 2813 O O . HOH R 8 . ? 12.636 -1.006 -7.051 1.00 53.46 ? 1748 HOH A O 1 HETATM 2814 O O . HOH R 8 . ? 20.933 -3.268 6.339 1.00 38.27 ? 1749 HOH A O 1 HETATM 2815 O O . HOH R 8 . ? -6.986 -15.572 10.215 1.00 53.31 ? 1750 HOH A O 1 HETATM 2816 O O . HOH R 8 . ? 38.488 18.391 27.019 1.00 49.58 ? 1751 HOH A O 1 HETATM 2817 O O . HOH R 8 . ? 0.032 -10.606 19.609 1.00 19.15 ? 1752 HOH A O 1 HETATM 2818 O O . HOH R 8 . ? 13.990 -0.411 27.065 1.00 48.50 ? 1753 HOH A O 1 HETATM 2819 O O . HOH R 8 . ? 44.957 15.037 17.341 1.00 43.21 ? 1754 HOH A O 1 HETATM 2820 O O . HOH R 8 . ? 24.556 -15.969 25.353 1.00 40.60 ? 1755 HOH A O 1 HETATM 2821 O O . HOH R 8 . ? 32.671 -14.648 15.687 1.00 36.14 ? 1756 HOH A O 1 HETATM 2822 O O . HOH R 8 . ? 20.287 17.508 -4.603 1.00 54.20 ? 1757 HOH A O 1 HETATM 2823 O O . HOH R 8 . ? 4.431 9.016 36.965 1.00 69.15 ? 1758 HOH A O 1 HETATM 2824 O O . HOH R 8 . ? 21.128 -2.897 19.032 1.00 42.93 ? 1759 HOH A O 1 HETATM 2825 O O . HOH R 8 . ? -0.598 -5.007 28.770 1.00 43.17 ? 1760 HOH A O 1 HETATM 2826 O O . HOH R 8 . ? 27.043 -17.619 13.773 1.00 28.37 ? 1761 HOH A O 1 HETATM 2827 O O . HOH R 8 . ? 40.212 -4.053 22.540 1.00 55.25 ? 1762 HOH A O 1 HETATM 2828 O O . HOH R 8 . ? -7.762 -4.597 27.820 1.00 49.84 ? 1763 HOH A O 1 HETATM 2829 O O . HOH R 8 . ? 25.305 17.786 29.021 1.00 59.66 ? 1764 HOH A O 1 HETATM 2830 O O . HOH R 8 . ? 36.093 -6.305 10.247 1.00 45.88 ? 1765 HOH A O 1 HETATM 2831 O O . HOH R 8 . ? 22.470 -3.930 34.670 1.00 25.58 ? 1766 HOH A O 1 HETATM 2832 O O . HOH R 8 . ? 13.201 -3.230 -9.942 1.00 33.07 ? 1767 HOH A O 1 HETATM 2833 O O . HOH R 8 . ? 6.564 0.032 24.720 1.00 43.87 ? 1768 HOH A O 1 HETATM 2834 O O . HOH R 8 . ? 20.539 5.927 9.651 1.00 47.22 ? 1769 HOH A O 1 HETATM 2835 O O . HOH R 8 . ? 25.372 -0.368 21.202 1.00 6.17 ? 1770 HOH A O 1 HETATM 2836 O O . HOH R 8 . ? 10.853 19.401 26.948 1.00 29.94 ? 1771 HOH A O 1 HETATM 2837 O O . HOH R 8 . ? 33.186 -11.005 13.331 1.00 64.46 ? 1772 HOH A O 1 HETATM 2838 O O . HOH R 8 . ? 17.979 7.850 2.611 1.00 68.18 ? 1773 HOH A O 1 HETATM 2839 O O . HOH R 8 . ? 13.638 5.886 16.410 1.00 29.31 ? 1774 HOH A O 1 HETATM 2840 O O . HOH R 8 . ? 6.809 10.667 29.297 1.00 39.14 ? 1775 HOH A O 1 HETATM 2841 O O . HOH R 8 . ? 31.886 -8.200 5.612 1.00 62.29 ? 1776 HOH A O 1 HETATM 2842 O O . HOH R 8 . ? 31.318 -2.533 34.705 1.00 38.34 ? 1777 HOH A O 1 HETATM 2843 O O . HOH R 8 . ? 8.008 18.161 19.355 1.00 34.67 ? 1778 HOH A O 1 HETATM 2844 O O . HOH R 8 . ? 16.662 -2.728 -9.057 1.00 60.26 ? 1779 HOH A O 1 HETATM 2845 O O . HOH R 8 . ? 44.993 12.700 14.778 1.00 65.36 ? 1780 HOH A O 1 HETATM 2846 O O . HOH R 8 . ? 9.222 11.635 -0.647 1.00 48.67 ? 1781 HOH A O 1 HETATM 2847 O O . HOH R 8 . ? -1.013 23.921 21.641 1.00 42.81 ? 1782 HOH A O 1 HETATM 2848 O O . HOH R 8 . ? 32.577 18.096 8.854 1.00 52.79 ? 1783 HOH A O 1 HETATM 2849 O O . HOH R 8 . ? 24.227 -1.962 -0.020 1.00 71.35 ? 1784 HOH A O 1 HETATM 2850 O O . HOH R 8 . ? 14.080 12.516 1.758 1.00 57.83 ? 1785 HOH A O 1 HETATM 2851 O O . HOH R 8 . ? 41.138 7.984 32.148 1.00 68.66 ? 1786 HOH A O 1 HETATM 2852 O O . HOH R 8 . ? 9.646 8.023 -2.640 1.00 64.43 ? 1787 HOH A O 1 HETATM 2853 O O . HOH R 8 . ? 27.439 -2.754 -0.707 1.00 50.72 ? 1788 HOH A O 1 HETATM 2854 O O . HOH R 8 . ? -2.859 -16.282 23.940 1.00 52.02 ? 1789 HOH A O 1 HETATM 2855 O O . HOH R 8 . ? 10.301 -16.207 -5.445 1.00 47.22 ? 1790 HOH A O 1 HETATM 2856 O O . HOH R 8 . ? -3.099 -7.179 29.622 1.00 66.33 ? 1791 HOH A O 1 HETATM 2857 O O . HOH R 8 . ? 40.576 0.799 30.077 1.00 45.25 ? 1792 HOH A O 1 HETATM 2858 O O . HOH R 8 . ? 46.000 -2.735 23.702 1.00 40.78 ? 1793 HOH A O 1 HETATM 2859 O O . HOH R 8 . ? 3.840 -17.975 7.568 1.00 68.51 ? 1794 HOH A O 1 HETATM 2860 O O . HOH R 8 . ? -7.219 12.819 21.860 1.00 45.41 ? 1795 HOH A O 1 HETATM 2861 O O . HOH R 8 . ? 19.185 0.086 9.271 1.00 32.48 ? 1796 HOH A O 1 HETATM 2862 O O . HOH R 8 . ? 18.637 0.602 19.885 1.00 37.01 ? 1797 HOH A O 1 HETATM 2863 O O . HOH R 8 . ? 33.266 21.100 17.402 1.00 30.17 ? 1798 HOH A O 1 HETATM 2864 O O . HOH R 8 . ? 39.464 -9.319 14.285 1.00 43.87 ? 1799 HOH A O 1 HETATM 2865 O O . HOH R 8 . ? 22.060 -13.744 12.648 1.00 22.78 ? 1800 HOH A O 1 HETATM 2866 O O . HOH R 8 . ? -9.173 0.334 11.767 1.00 44.91 ? 1801 HOH A O 1 HETATM 2867 O O . HOH R 8 . ? 18.843 -3.283 14.219 1.00 36.41 ? 1802 HOH A O 1 HETATM 2868 O O . HOH R 8 . ? 0.992 7.704 8.304 1.00 45.35 ? 1803 HOH A O 1 HETATM 2869 O O . HOH R 8 . ? 11.563 9.747 -2.823 1.00 40.97 ? 1804 HOH A O 1 HETATM 2870 O O . HOH R 8 . ? 22.727 0.142 20.758 1.00 25.94 ? 1805 HOH A O 1 HETATM 2871 O O . HOH R 8 . ? 7.443 -9.918 28.812 1.00 48.27 ? 1806 HOH A O 1 HETATM 2872 O O . HOH R 8 . ? -4.646 -2.552 -3.031 1.00 52.69 ? 1807 HOH A O 1 HETATM 2873 O O . HOH R 8 . ? 15.560 20.622 14.401 1.00 37.85 ? 1808 HOH A O 1 HETATM 2874 O O . HOH R 8 . ? 0.741 -7.621 29.682 1.00 49.92 ? 1809 HOH A O 1 HETATM 2875 O O . HOH R 8 . ? 27.794 5.667 -5.796 1.00 43.50 ? 1810 HOH A O 1 HETATM 2876 O O . HOH R 8 . ? 11.305 3.100 31.106 1.00 42.13 ? 1811 HOH A O 1 HETATM 2877 O O . HOH R 8 . ? 32.365 13.767 33.612 1.00 53.65 ? 1812 HOH A O 1 HETATM 2878 O O . HOH R 8 . ? -2.317 15.662 24.513 1.00 38.66 ? 1813 HOH A O 1 HETATM 2879 O O . HOH R 8 . ? 18.373 13.426 -5.187 1.00 37.76 ? 1814 HOH A O 1 HETATM 2880 O O . HOH R 8 . ? 25.657 -16.521 16.428 1.00 39.10 ? 1815 HOH A O 1 HETATM 2881 O O . HOH R 8 . ? -1.218 -19.574 22.339 1.00 51.20 ? 1816 HOH A O 1 HETATM 2882 O O . HOH R 8 . ? 28.481 -20.929 17.836 1.00 33.00 ? 1817 HOH A O 1 HETATM 2883 O O . HOH R 8 . ? 6.512 -20.322 22.528 1.00 58.81 ? 1818 HOH A O 1 HETATM 2884 O O . HOH R 8 . ? 31.916 -11.951 19.174 1.00 44.50 ? 1819 HOH A O 1 HETATM 2885 O O . HOH R 8 . ? 0.675 -12.709 -6.512 1.00 41.97 ? 1820 HOH A O 1 HETATM 2886 O O . HOH R 8 . ? 19.407 20.276 13.575 1.00 35.28 ? 1821 HOH A O 1 HETATM 2887 O O . HOH R 8 . ? 16.026 -21.336 12.403 1.00 39.16 ? 1822 HOH A O 1 HETATM 2888 O O . HOH R 8 . ? 42.683 1.548 -0.484 1.00 47.25 ? 1823 HOH A O 1 HETATM 2889 O O . HOH R 8 . ? 39.446 15.599 14.541 1.00 41.90 ? 1824 HOH A O 1 HETATM 2890 O O . HOH R 8 . ? 15.441 5.513 -4.382 1.00 55.73 ? 1825 HOH A O 1 HETATM 2891 O O . HOH R 8 . ? -0.476 1.024 34.893 1.00 48.51 ? 1826 HOH A O 1 HETATM 2892 O O . HOH R 8 . ? -8.934 -8.721 24.860 1.00 42.97 ? 1827 HOH A O 1 HETATM 2893 O O . HOH R 8 . ? -2.641 -1.071 -5.200 1.00 36.87 ? 1828 HOH A O 1 HETATM 2894 O O . HOH R 8 . ? -3.105 -17.710 11.499 1.00 42.88 ? 1829 HOH A O 1 HETATM 2895 O O . HOH R 8 . ? 25.674 -5.914 32.618 1.00 42.36 ? 1830 HOH A O 1 HETATM 2896 O O . HOH R 8 . ? 39.877 11.429 20.846 1.00 51.58 ? 1831 HOH A O 1 HETATM 2897 O O . HOH R 8 . ? 45.440 1.375 3.113 1.00 46.17 ? 1832 HOH A O 1 HETATM 2898 O O . HOH R 8 . ? 5.428 16.417 35.334 1.00 54.85 ? 1833 HOH A O 1 HETATM 2899 O O . HOH R 8 . ? 29.668 -10.471 13.602 1.00 43.49 ? 1834 HOH A O 1 HETATM 2900 O O . HOH R 8 . ? 19.877 15.358 -6.006 1.00 54.03 ? 1835 HOH A O 1 HETATM 2901 O O . HOH R 8 . ? 12.657 8.228 4.092 1.00 57.92 ? 1836 HOH A O 1 HETATM 2902 O O . HOH R 8 . ? 18.466 -21.494 15.750 1.00 35.65 ? 1837 HOH A O 1 HETATM 2903 O O . HOH R 8 . ? 24.181 21.802 26.946 1.00 47.35 ? 1838 HOH A O 1 HETATM 2904 O O . HOH R 8 . ? -4.642 1.368 -3.817 1.00 51.38 ? 1839 HOH A O 1 HETATM 2905 O O . HOH R 8 . ? 41.786 5.161 0.726 1.00 46.67 ? 1840 HOH A O 1 HETATM 2906 O O . HOH R 8 . ? 33.692 -5.917 8.161 1.00 37.53 ? 1841 HOH A O 1 HETATM 2907 O O . HOH R 8 . ? 12.249 -17.858 -5.412 1.00 49.20 ? 1842 HOH A O 1 HETATM 2908 O O . HOH R 8 . ? 13.433 -23.550 22.649 1.00 28.36 ? 1843 HOH A O 1 HETATM 2909 O O . HOH R 8 . ? 14.275 9.535 38.667 1.00 39.96 ? 1844 HOH A O 1 HETATM 2910 O O . HOH R 8 . ? -6.793 -14.480 22.565 1.00 42.69 ? 1845 HOH A O 1 HETATM 2911 O O . HOH R 8 . ? 10.386 4.762 -1.456 1.00 60.75 ? 1846 HOH A O 1 HETATM 2912 O O . HOH R 8 . ? 29.987 18.102 2.236 1.00 43.20 ? 1847 HOH A O 1 HETATM 2913 O O . HOH R 8 . ? -4.336 -8.732 -3.066 1.00 38.45 ? 1848 HOH A O 1 HETATM 2914 O O . HOH R 8 . ? 34.838 -3.460 9.708 1.00 59.34 ? 1849 HOH A O 1 HETATM 2915 O O . HOH R 8 . ? 29.498 12.357 4.292 1.00 32.06 ? 1850 HOH A O 1 HETATM 2916 O O . HOH R 8 . ? 1.804 9.797 7.870 1.00 43.64 ? 1851 HOH A O 1 HETATM 2917 O O . HOH R 8 . ? 16.002 12.783 14.262 1.00 48.13 ? 1852 HOH A O 1 HETATM 2918 O O . HOH R 8 . ? 21.709 15.445 -2.813 1.00 51.76 ? 1853 HOH A O 1 HETATM 2919 O O . HOH R 8 . ? -3.449 10.368 17.084 1.00 45.91 ? 1854 HOH A O 1 HETATM 2920 O O . HOH R 8 . ? 25.533 8.523 -7.964 1.00 42.26 ? 1855 HOH A O 1 HETATM 2921 O O . HOH R 8 . ? -7.051 13.072 17.261 1.00 46.58 ? 1856 HOH A O 1 HETATM 2922 O O . HOH R 8 . ? -9.086 14.179 19.253 1.00 66.35 ? 1857 HOH A O 1 HETATM 2923 O O . HOH R 8 . ? 4.367 11.677 8.184 1.00 53.81 ? 1858 HOH A O 1 HETATM 2924 O O . HOH R 8 . ? -6.039 17.635 21.283 1.00 50.95 ? 1859 HOH A O 1 HETATM 2925 O O . HOH R 8 . ? -10.283 9.390 18.962 1.00 58.81 ? 1860 HOH A O 1 HETATM 2926 O O . HOH R 8 . ? -8.894 10.998 16.876 1.00 60.30 ? 1861 HOH A O 1 HETATM 2927 O O . HOH R 8 . ? 17.303 2.858 12.382 1.00 39.02 ? 1862 HOH A O 1 HETATM 2928 O O . HOH R 8 . ? 14.572 -5.279 23.666 1.00 25.62 ? 1863 HOH A O 1 HETATM 2929 O O . HOH R 8 . ? 5.147 -11.400 27.348 1.00 37.32 ? 1864 HOH A O 1 HETATM 2930 O O . HOH R 8 . ? 18.025 -4.838 23.622 1.00 37.30 ? 1865 HOH A O 1 HETATM 2931 O O . HOH R 8 . ? 10.632 -6.901 28.844 1.00 38.52 ? 1866 HOH A O 1 HETATM 2932 O O . HOH R 8 . ? 14.056 -7.457 27.309 1.00 45.77 ? 1867 HOH A O 1 HETATM 2933 O O . HOH R 8 . ? 3.455 -0.293 34.717 1.00 70.94 ? 1868 HOH A O 1 HETATM 2934 O O . HOH R 8 . ? 39.621 15.388 30.692 1.00 49.54 ? 1869 HOH A O 1 HETATM 2935 O O . HOH R 8 . ? 6.632 -0.879 33.679 1.00 51.36 ? 1870 HOH A O 1 HETATM 2936 O O . HOH R 8 . ? 9.627 19.188 17.348 1.00 39.91 ? 1871 HOH A O 1 HETATM 2937 O O . HOH R 8 . ? -0.236 4.433 5.881 1.00 35.00 ? 1872 HOH A O 1 HETATM 2938 O O . HOH R 8 . ? 17.124 24.927 16.106 1.00 35.04 ? 1873 HOH A O 1 HETATM 2939 O O . HOH R 8 . ? 13.702 21.076 16.096 1.00 42.17 ? 1874 HOH A O 1 HETATM 2940 O O . HOH R 8 . ? 11.924 20.542 19.003 1.00 57.80 ? 1875 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 1001 1001 NAG NAG A . C 2 NAG 1 2 2 NAG NAG A . D 2 NAG 2 3 3 NAG NAG A . E 3 MAN 3 4 4 MAN MAN A . F 2 NAG 1 5 5 NAG NAG A . G 2 NAG 2 6 6 NAG NAG A . H 3 MAN 3 7 7 MAN MAN A . I 3 MAN 4 8 8 MAN MAN A . J 3 MAN 5 9 9 MAN MAN A . K 3 MAN 6 10 10 MAN MAN A . L 3 MAN 1 701 701 MAN MAN A . M 4 ZN 1 1101 1101 ZN ZN A . N 4 ZN 1 1102 1102 ZN ZN A . O 5 FE 1 1687 1687 FE FE A . P 6 CO3 1 1688 1688 CO3 CO3 A . Q 7 SO4 1 1689 601 SO4 SO4 A . R 8 HOH 1 1690 1 HOH HOH A . R 8 HOH 2 1691 2 HOH HOH A . R 8 HOH 3 1692 3 HOH HOH A . R 8 HOH 4 1693 4 HOH HOH A . R 8 HOH 5 1694 5 HOH HOH A . R 8 HOH 6 1695 6 HOH HOH A . R 8 HOH 7 1696 7 HOH HOH A . R 8 HOH 8 1697 8 HOH HOH A . R 8 HOH 9 1698 9 HOH HOH A . R 8 HOH 10 1699 10 HOH HOH A . R 8 HOH 11 1700 11 HOH HOH A . R 8 HOH 12 1701 12 HOH HOH A . R 8 HOH 13 1702 13 HOH HOH A . R 8 HOH 14 1703 14 HOH HOH A . R 8 HOH 15 1704 15 HOH HOH A . R 8 HOH 16 1705 16 HOH HOH A . R 8 HOH 17 1706 17 HOH HOH A . R 8 HOH 18 1707 18 HOH HOH A . R 8 HOH 19 1708 19 HOH HOH A . R 8 HOH 20 1709 20 HOH HOH A . R 8 HOH 21 1710 21 HOH HOH A . R 8 HOH 22 1711 22 HOH HOH A . R 8 HOH 23 1712 23 HOH HOH A . R 8 HOH 24 1713 24 HOH HOH A . R 8 HOH 25 1714 25 HOH HOH A . R 8 HOH 26 1715 26 HOH HOH A . R 8 HOH 27 1716 27 HOH HOH A . R 8 HOH 28 1717 28 HOH HOH A . R 8 HOH 29 1718 29 HOH HOH A . R 8 HOH 30 1719 30 HOH HOH A . R 8 HOH 31 1720 31 HOH HOH A . R 8 HOH 32 1721 32 HOH HOH A . R 8 HOH 33 1722 33 HOH HOH A . R 8 HOH 34 1723 34 HOH HOH A . R 8 HOH 35 1724 35 HOH HOH A . R 8 HOH 36 1725 36 HOH HOH A . R 8 HOH 37 1726 37 HOH HOH A . R 8 HOH 38 1727 38 HOH HOH A . R 8 HOH 39 1728 39 HOH HOH A . R 8 HOH 40 1729 40 HOH HOH A . R 8 HOH 41 1730 41 HOH HOH A . R 8 HOH 42 1731 42 HOH HOH A . R 8 HOH 43 1732 43 HOH HOH A . R 8 HOH 44 1733 44 HOH HOH A . R 8 HOH 45 1734 45 HOH HOH A . R 8 HOH 46 1735 46 HOH HOH A . R 8 HOH 47 1736 47 HOH HOH A . R 8 HOH 48 1737 48 HOH HOH A . R 8 HOH 49 1738 49 HOH HOH A . R 8 HOH 50 1739 50 HOH HOH A . R 8 HOH 51 1740 51 HOH HOH A . R 8 HOH 52 1741 52 HOH HOH A . R 8 HOH 53 1742 53 HOH HOH A . R 8 HOH 54 1743 54 HOH HOH A . R 8 HOH 55 1744 55 HOH HOH A . R 8 HOH 56 1745 56 HOH HOH A . R 8 HOH 57 1746 57 HOH HOH A . R 8 HOH 58 1747 58 HOH HOH A . R 8 HOH 59 1748 59 HOH HOH A . R 8 HOH 60 1749 60 HOH HOH A . R 8 HOH 61 1750 61 HOH HOH A . R 8 HOH 62 1751 62 HOH HOH A . R 8 HOH 63 1752 63 HOH HOH A . R 8 HOH 64 1753 64 HOH HOH A . R 8 HOH 65 1754 65 HOH HOH A . R 8 HOH 66 1755 66 HOH HOH A . R 8 HOH 67 1756 67 HOH HOH A . R 8 HOH 68 1757 68 HOH HOH A . R 8 HOH 69 1758 69 HOH HOH A . R 8 HOH 70 1759 70 HOH HOH A . R 8 HOH 71 1760 71 HOH HOH A . R 8 HOH 72 1761 72 HOH HOH A . R 8 HOH 73 1762 73 HOH HOH A . R 8 HOH 74 1763 74 HOH HOH A . R 8 HOH 75 1764 75 HOH HOH A . R 8 HOH 76 1765 76 HOH HOH A . R 8 HOH 77 1766 77 HOH HOH A . R 8 HOH 78 1767 78 HOH HOH A . R 8 HOH 79 1768 79 HOH HOH A . R 8 HOH 80 1769 80 HOH HOH A . R 8 HOH 81 1770 81 HOH HOH A . R 8 HOH 82 1771 82 HOH HOH A . R 8 HOH 83 1772 83 HOH HOH A . R 8 HOH 84 1773 84 HOH HOH A . R 8 HOH 85 1774 85 HOH HOH A . R 8 HOH 86 1775 86 HOH HOH A . R 8 HOH 87 1776 87 HOH HOH A . R 8 HOH 88 1777 88 HOH HOH A . R 8 HOH 89 1778 89 HOH HOH A . R 8 HOH 90 1779 90 HOH HOH A . R 8 HOH 91 1780 91 HOH HOH A . R 8 HOH 92 1781 92 HOH HOH A . R 8 HOH 93 1782 93 HOH HOH A . R 8 HOH 94 1783 94 HOH HOH A . R 8 HOH 95 1784 95 HOH HOH A . R 8 HOH 96 1785 96 HOH HOH A . R 8 HOH 97 1786 97 HOH HOH A . R 8 HOH 98 1787 98 HOH HOH A . R 8 HOH 99 1788 99 HOH HOH A . R 8 HOH 100 1789 100 HOH HOH A . R 8 HOH 101 1790 101 HOH HOH A . R 8 HOH 102 1791 102 HOH HOH A . R 8 HOH 103 1792 103 HOH HOH A . R 8 HOH 104 1793 104 HOH HOH A . R 8 HOH 105 1794 105 HOH HOH A . R 8 HOH 106 1795 106 HOH HOH A . R 8 HOH 107 1796 107 HOH HOH A . R 8 HOH 108 1797 108 HOH HOH A . R 8 HOH 109 1798 109 HOH HOH A . R 8 HOH 110 1799 110 HOH HOH A . R 8 HOH 111 1800 111 HOH HOH A . R 8 HOH 112 1801 112 HOH HOH A . R 8 HOH 113 1802 113 HOH HOH A . R 8 HOH 114 1803 114 HOH HOH A . R 8 HOH 115 1804 115 HOH HOH A . R 8 HOH 116 1805 116 HOH HOH A . R 8 HOH 117 1806 117 HOH HOH A . R 8 HOH 118 1807 118 HOH HOH A . R 8 HOH 119 1808 119 HOH HOH A . R 8 HOH 120 1809 120 HOH HOH A . R 8 HOH 121 1810 121 HOH HOH A . R 8 HOH 122 1811 122 HOH HOH A . R 8 HOH 123 1812 123 HOH HOH A . R 8 HOH 124 1813 124 HOH HOH A . R 8 HOH 125 1814 125 HOH HOH A . R 8 HOH 126 1815 126 HOH HOH A . R 8 HOH 127 1816 127 HOH HOH A . R 8 HOH 128 1817 128 HOH HOH A . R 8 HOH 129 1818 129 HOH HOH A . R 8 HOH 130 1819 130 HOH HOH A . R 8 HOH 131 1820 131 HOH HOH A . R 8 HOH 132 1821 132 HOH HOH A . R 8 HOH 133 1822 133 HOH HOH A . R 8 HOH 134 1823 134 HOH HOH A . R 8 HOH 135 1824 135 HOH HOH A . R 8 HOH 136 1825 136 HOH HOH A . R 8 HOH 137 1826 137 HOH HOH A . R 8 HOH 138 1827 138 HOH HOH A . R 8 HOH 139 1828 139 HOH HOH A . R 8 HOH 140 1829 140 HOH HOH A . R 8 HOH 141 1830 141 HOH HOH A . R 8 HOH 142 1831 142 HOH HOH A . R 8 HOH 143 1832 143 HOH HOH A . R 8 HOH 144 1833 144 HOH HOH A . R 8 HOH 145 1834 145 HOH HOH A . R 8 HOH 146 1835 146 HOH HOH A . R 8 HOH 147 1836 147 HOH HOH A . R 8 HOH 148 1837 148 HOH HOH A . R 8 HOH 149 1838 149 HOH HOH A . R 8 HOH 150 1839 150 HOH HOH A . R 8 HOH 151 1840 151 HOH HOH A . R 8 HOH 152 1841 152 HOH HOH A . R 8 HOH 153 1842 153 HOH HOH A . R 8 HOH 154 1843 154 HOH HOH A . R 8 HOH 155 1844 155 HOH HOH A . R 8 HOH 156 1845 156 HOH HOH A . R 8 HOH 157 1846 157 HOH HOH A . R 8 HOH 158 1847 158 HOH HOH A . R 8 HOH 159 1848 159 HOH HOH A . R 8 HOH 160 1849 160 HOH HOH A . R 8 HOH 161 1850 161 HOH HOH A . R 8 HOH 162 1851 162 HOH HOH A . R 8 HOH 163 1852 163 HOH HOH A . R 8 HOH 164 1853 164 HOH HOH A . R 8 HOH 165 1854 165 HOH HOH A . R 8 HOH 166 1855 166 HOH HOH A . R 8 HOH 167 1856 167 HOH HOH A . R 8 HOH 168 1857 168 HOH HOH A . R 8 HOH 169 1858 169 HOH HOH A . R 8 HOH 170 1859 170 HOH HOH A . R 8 HOH 171 1860 171 HOH HOH A . R 8 HOH 172 1861 172 HOH HOH A . R 8 HOH 173 1862 173 HOH HOH A . R 8 HOH 174 1863 174 HOH HOH A . R 8 HOH 175 1864 175 HOH HOH A . R 8 HOH 176 1865 176 HOH HOH A . R 8 HOH 177 1866 177 HOH HOH A . R 8 HOH 178 1867 178 HOH HOH A . R 8 HOH 179 1868 179 HOH HOH A . R 8 HOH 180 1869 180 HOH HOH A . R 8 HOH 181 1870 181 HOH HOH A . R 8 HOH 182 1871 182 HOH HOH A . R 8 HOH 183 1872 183 HOH HOH A . R 8 HOH 184 1873 184 HOH HOH A . R 8 HOH 185 1874 185 HOH HOH A . R 8 HOH 186 1875 186 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 # _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 1687 ? 1_555 OH ? A TYR 92 ? A TYR 433 ? 1_555 100.3 ? 2 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? O FE . ? A FE 1687 ? 1_555 OH ? A TYR 185 ? A TYR 526 ? 1_555 166.9 ? 3 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? O FE . ? A FE 1687 ? 1_555 OH ? A TYR 185 ? A TYR 526 ? 1_555 92.6 ? 4 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? O FE . ? A FE 1687 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 84.3 ? 5 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? O FE . ? A FE 1687 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 105.0 ? 6 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? O FE . ? A FE 1687 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 90.3 ? 7 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? O FE . ? A FE 1687 ? 1_555 O1 ? P CO3 . ? A CO3 1688 ? 1_555 85.8 ? 8 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? O FE . ? A FE 1687 ? 1_555 O1 ? P CO3 . ? A CO3 1688 ? 1_555 151.9 ? 9 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? O FE . ? A FE 1687 ? 1_555 O1 ? P CO3 . ? A CO3 1688 ? 1_555 83.9 ? 10 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 FE ? O FE . ? A FE 1687 ? 1_555 O1 ? P CO3 . ? A CO3 1688 ? 1_555 102.9 ? 11 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? O FE . ? A FE 1687 ? 1_555 O2 ? P CO3 . ? A CO3 1688 ? 1_555 73.1 ? 12 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? O FE . ? A FE 1687 ? 1_555 O2 ? P CO3 . ? A CO3 1688 ? 1_555 87.0 ? 13 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? O FE . ? A FE 1687 ? 1_555 O2 ? P CO3 . ? A CO3 1688 ? 1_555 110.1 ? 14 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 FE ? O FE . ? A FE 1687 ? 1_555 O2 ? P CO3 . ? A CO3 1688 ? 1_555 156.1 ? 15 O1 ? P CO3 . ? A CO3 1688 ? 1_555 FE ? O FE . ? A FE 1687 ? 1_555 O2 ? P CO3 . ? A CO3 1688 ? 1_555 68.4 ? 16 OE2 ? A GLU 318 ? A GLU 659 ? 1_555 ZN ? M ZN . ? A ZN 1101 ? 1_555 O ? R HOH . ? A HOH 1742 ? 1_555 98.4 ? 17 NE2 ? A HIS 247 ? A HIS 588 ? 1_555 ZN ? N ZN . ? A ZN 1102 ? 1_555 O ? R HOH . ? A HOH 1851 ? 1_555 86.0 ? 18 NE2 ? A HIS 247 ? A HIS 588 ? 1_555 ZN ? N ZN . ? A ZN 1102 ? 1_555 O ? R HOH . ? A HOH 1858 ? 1_555 118.9 ? 19 O ? R HOH . ? A HOH 1851 ? 1_555 ZN ? N ZN . ? A ZN 1102 ? 1_555 O ? R HOH . ? A HOH 1858 ? 1_555 133.0 ? # 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 2006-07-04 2 'Structure model' 1 1 2008-04-30 3 'Structure model' 1 2 2011-07-13 4 'Structure model' 1 3 2017-10-11 # _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 # loop_ _pdbx_audit_revision_item.ordinal _pdbx_audit_revision_item.revision_ordinal _pdbx_audit_revision_item.data_content_type _pdbx_audit_revision_item.item 1 4 'Structure model' '_software.classification' 2 4 'Structure model' '_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 SCALEPACK 'data scaling' . ? 3 AMoRE phasing . ? 4 # 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 LEU 407 ? ? CG A LEU 407 ? ? CD1 A LEU 407 ? ? 100.57 111.00 -10.43 1.70 N 2 1 CB A ASP 453 ? ? CG A ASP 453 ? ? OD2 A ASP 453 ? ? 125.26 118.30 6.96 0.90 N 3 1 CA A PRO 493 ? ? N A PRO 493 ? ? CD A PRO 493 ? ? 103.28 111.70 -8.42 1.40 N 4 1 CB A ASP 513 ? ? CG A ASP 513 ? ? OD2 A ASP 513 ? ? 125.12 118.30 6.82 0.90 N 5 1 CB A ASP 536 ? ? CG A ASP 536 ? ? OD2 A ASP 536 ? ? 124.88 118.30 6.58 0.90 N 6 1 C A ARG 654 ? ? N A PRO 655 ? ? CD A PRO 655 ? ? 115.51 128.40 -12.89 2.10 Y 7 1 CA A PRO 655 ? ? N A PRO 655 ? ? CD A PRO 655 ? ? 102.54 111.70 -9.16 1.40 N 8 1 N A ALA 683 ? ? CA A ALA 683 ? ? C A ALA 683 ? ? 131.85 111.00 20.85 2.70 N 9 1 N A CYS 684 ? ? CA A CYS 684 ? ? CB A CYS 684 ? ? 120.95 110.80 10.15 1.50 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 THR A 343 ? ? -103.08 48.99 2 1 ASP A 453 ? ? 80.15 -0.60 3 1 ALA A 460 ? ? 175.91 150.86 4 1 TRP A 467 ? ? -139.52 -68.49 5 1 ASP A 508 ? ? -88.39 -152.87 6 1 THR A 557 ? ? 71.22 -6.89 7 1 GLU A 567 ? ? -57.94 -8.31 8 1 GLU A 583 ? ? -94.03 36.82 9 1 CYS A 587 ? ? -148.64 56.00 10 1 ALA A 590 ? ? 177.10 161.51 11 1 ASP A 602 ? ? -68.77 2.63 12 1 CYS A 625 ? ? -60.14 -73.01 13 1 SER A 634 ? ? -157.05 14.43 14 1 GLU A 635 ? ? 55.84 84.58 15 1 THR A 636 ? ? 55.15 4.50 16 1 LEU A 640 ? ? 76.45 -44.43 17 1 ARG A 654 ? ? 25.23 76.03 18 1 GLU A 682 ? ? -169.03 116.89 19 1 ALA A 683 ? ? -157.11 -68.66 20 1 CYS A 684 ? ? 89.65 84.98 21 1 ALA A 685 ? ? -44.47 10.34 # 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 MAN 4 ? 'WRONG HAND' . 2 1 C1 ? A MAN 7 ? 'WRONG HAND' . 3 1 C1 ? A MAN 701 ? 'WRONG HAND' . # 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 #