data_2HCA # _entry.id 2HCA # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.279 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 2HCA RCSB RCSB038188 WWPDB D_1000038188 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 1NKX 'native structure' unspecified PDB 2B65 'model PDB' unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 2HCA _pdbx_database_status.recvd_initial_deposition_date 2006-06-15 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.status_code_sf ? _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_cs ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Mir, R.' 1 'Prem Kumar, R.' 2 'Ethayathulla, A.S.' 3 'Singh, N.' 4 'Sinha, M.' 5 'Kaur, P.' 6 'Sharma, S.' 7 'Singh, T.P.' 8 # _citation.id primary _citation.title 'Crystal structure of bovine lactoferrin C-lobe liganded with Glucose 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 'Prem Kumar, R.' 2 primary 'Ethayathulla, A.S.' 3 primary 'Singh, N.' 4 primary 'Sinha, M.' 5 primary 'Kaur, P.' 6 primary 'Sharma, S.' 7 primary 'Singh, T.P.' 8 # _cell.entry_id 2HCA _cell.length_a 63.208 _cell.length_b 50.435 _cell.length_c 65.877 _cell.angle_alpha 90.00 _cell.angle_beta 107.61 _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 2HCA _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 (Lactoferrin)' 37655.504 1 3.4.21.- ? 'Peptidase S60 2 domain' ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 6 ? ? ? ? 3 non-polymer man ALPHA-D-MANNOSE 180.156 3 ? ? ? ? 4 non-polymer man BETA-D-MANNOSE 180.156 4 ? ? ? ? 5 non-polymer man ALPHA-D-GLUCOSE 180.156 1 ? ? ? ? 6 non-polymer syn 'FE (III) ION' 55.845 1 ? ? ? ? 7 non-polymer syn 'CARBONATE ION' 60.009 1 ? ? ? ? 8 non-polymer syn 'ZINC ION' 65.409 2 ? ? ? ? 9 non-polymer syn 'SULFATE ION' 96.063 1 ? ? ? ? 10 water nat water 18.015 227 ? ? ? ? # _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_align_begin 361 _struct_ref.pdbx_db_isoform ? _struct_ref.pdbx_seq_one_letter_code ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 2HCA _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 2HCA LYS A 224 ? UNP P24627 ASN 584 ENGINEERED 565 1 1 2HCA GLU A 267 ? UNP P24627 LYS 627 ENGINEERED 608 2 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 BMA D-saccharide . BETA-D-MANNOSE ? 'C6 H12 O6' 180.156 CO3 non-polymer . 'CARBONATE ION' ? 'C O3 -2' 60.009 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 FE non-polymer . 'FE (III) ION' ? 'Fe 3' 55.845 GLC saccharide . ALPHA-D-GLUCOSE ? 'C6 H12 O6' 180.156 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 2HCA _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.66 _exptl_crystal.density_percent_sol 53.71 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION' _exptl_crystal_grow.temp 298 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 6.5 _exptl_crystal_grow.pdbx_details '0.1M MES, 25% POLYETHYLENE GLYCOL MONOMETHYL ETHER 550 AND 0.01 M ZINC SULPHATE , pH 6.5, VAPOR DIFFUSION, temperature 298K' _exptl_crystal_grow.pdbx_pH_range . # _diffrn.id 1 _diffrn.ambient_temp 298 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector 'IMAGE PLATE' _diffrn_detector.type MARRESEARCH _diffrn_detector.pdbx_collection_date 2006-05-26 _diffrn_detector.details MIRROR # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator GRAPHITE _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.5414 _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 1.5414 # _reflns.entry_id 2HCA _reflns.observed_criterion_sigma_I 0.0 _reflns.observed_criterion_sigma_F 0.0 _reflns.d_resolution_low 20.0 _reflns.d_resolution_high 2.8 _reflns.number_obs 9101 _reflns.number_all 9101 _reflns.percent_possible_obs 96.1 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value 0.105 _reflns.pdbx_netI_over_sigmaI 7.2 _reflns.B_iso_Wilson_estimate 28.413 _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 2.9 _reflns_shell.percent_possible_all 98.1 _reflns_shell.Rmerge_I_obs ? _reflns_shell.pdbx_Rsym_value 0.327 _reflns_shell.meanI_over_sigI_obs 1.9 _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 2HCA _refine.ls_number_reflns_obs 9081 _refine.ls_number_reflns_all 9101 _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 0.0 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 20.00 _refine.ls_d_res_high 2.80 _refine.ls_percent_reflns_obs 96.32 _refine.ls_R_factor_obs 0.21812 _refine.ls_R_factor_all 0.21272 _refine.ls_R_factor_R_work 0.21437 _refine.ls_R_factor_R_free 0.24833 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 4.8 _refine.ls_number_reflns_R_free 455 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.907 _refine.correlation_coeff_Fo_to_Fc_free 0.825 _refine.B_iso_mean 30.288 _refine.aniso_B[1][1] 1.54 _refine.aniso_B[2][2] -0.75 _refine.aniso_B[3][3] -0.84 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] -0.08 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details 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 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' _refine.pdbx_starting_model 2B65 _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 0.475 _refine.overall_SU_ML 0.306 _refine.overall_SU_B 14.897 _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 2604 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 185 _refine_hist.number_atoms_solvent 227 _refine_hist.number_atoms_total 3016 _refine_hist.d_res_high 2.80 _refine_hist.d_res_low 20.00 # 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 0.022 ? 2855 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.444 2.025 ? 3892 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 6.142 5.000 ? 339 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 40.486 25.169 ? 118 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 18.785 15.000 ? 448 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 18.426 15.000 ? 12 'X-RAY DIFFRACTION' ? r_chiral_restr 0.089 0.200 ? 468 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.004 0.020 ? 2033 'X-RAY DIFFRACTION' ? r_nbd_refined 0.231 0.200 ? 1377 'X-RAY DIFFRACTION' ? r_nbtor_refined 0.311 0.200 ? 1932 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_refined 0.167 0.200 ? 241 'X-RAY DIFFRACTION' ? r_metal_ion_refined 0.106 0.200 ? 3 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined 0.247 0.200 ? 31 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined 0.190 0.200 ? 7 'X-RAY DIFFRACTION' ? r_mcbond_it 0.680 1.500 ? 1728 'X-RAY DIFFRACTION' ? r_mcangle_it 1.196 2.000 ? 2699 'X-RAY DIFFRACTION' ? r_scbond_it 1.383 3.000 ? 1250 'X-RAY DIFFRACTION' ? r_scangle_it 2.301 4.500 ? 1193 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 2.801 _refine_ls_shell.d_res_low 2.872 _refine_ls_shell.number_reflns_R_work 678 _refine_ls_shell.R_factor_R_work 0.217 _refine_ls_shell.percent_reflns_obs 98.47 _refine_ls_shell.R_factor_R_free 0.27 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 29 _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 2HCA _struct.title 'Crystal structure of bovine lactoferrin C-lobe liganded with Glucose at 2.8 A resolution' _struct.pdbx_descriptor 'Lactotransferrin (Lactoferrin)' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 2HCA _struct_keywords.pdbx_keywords HYDROLASE _struct_keywords.text 'c-lobe, lactoferrin, glucose, complex, Hydrolase' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 2 ? D N N 3 ? E N N 4 ? F N N 3 ? G N N 2 ? H N N 2 ? I N N 2 ? J N N 2 ? K N N 4 ? L N N 4 ? M N N 3 ? N N N 4 ? O N N 5 ? P N N 6 ? Q N N 7 ? R N N 8 ? S N N 8 ? T N N 9 ? U N N 10 ? # _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 ? THR A 211 ? ASN A 545 THR A 552 1 ? 8 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 259 ? GLY A 278 ? ARG A 600 GLY A 619 1 ? 20 HELX_P HELX_P13 13 THR A 315 ? LYS A 333 ? THR A 656 LYS A 674 1 ? 19 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 7 SG ? ? ? 1_555 A CYS 39 SG ? ? A CYS 348 A CYS 380 1_555 ? ? ? ? ? ? ? 2.033 ? disulf2 disulf ? ? A CYS 17 SG ? ? ? 1_555 A CYS 30 SG ? ? A CYS 358 A CYS 371 1_555 ? ? ? ? ? ? ? 2.046 ? disulf3 disulf ? ? A CYS 64 SG ? ? ? 1_555 A CYS 343 SG ? ? A CYS 405 A CYS 684 1_555 ? ? ? ? ? ? ? 2.054 ? disulf4 disulf ? ? A CYS 84 SG ? ? ? 1_555 A CYS 306 SG ? ? A CYS 425 A CYS 647 1_555 ? ? ? ? ? ? ? 2.023 ? disulf5 disulf ? ? A CYS 116 SG ? ? ? 1_555 A CYS 191 SG ? ? A CYS 457 A CYS 532 1_555 ? ? ? ? ? ? ? 2.024 ? disulf6 disulf ? ? A CYS 140 SG ? ? ? 1_555 A CYS 334 SG ? ? A CYS 481 A CYS 675 1_555 ? ? ? ? ? ? ? 2.033 ? disulf7 disulf ? ? A CYS 150 SG ? ? ? 1_555 A CYS 164 SG ? ? A CYS 491 A CYS 505 1_555 ? ? ? ? ? ? ? 2.043 ? disulf8 disulf ? ? A CYS 161 SG ? ? ? 1_555 A CYS 174 SG ? ? A CYS 502 A CYS 515 1_555 ? ? ? ? ? ? ? 2.020 ? disulf9 disulf ? ? A CYS 232 SG ? ? ? 1_555 A CYS 246 SG ? ? A CYS 573 A CYS 587 1_555 ? ? ? ? ? ? ? 2.047 ? disulf10 disulf ? ? A CYS 284 SG ? ? ? 1_555 A CYS 289 SG ? ? A CYS 625 A CYS 630 1_555 ? ? ? ? ? ? ? 2.034 ? covale1 covale ? ? A ASN 27 ND2 ? ? ? 1_555 G NAG . C1 ? ? A ASN 368 A NAG 687 1_555 ? ? ? ? ? ? ? 1.439 ? covale2 covale ? ? A ASN 135 ND2 ? ? ? 1_555 B NAG . C1 ? ? A ASN 476 A NAG 1 1_555 ? ? ? ? ? ? ? 1.439 ? covale3 covale ? ? A ASN 204 ND2 ? ? ? 1_555 I NAG . C1 ? ? A ASN 545 A NAG 689 1_555 ? ? ? ? ? ? ? 1.439 ? covale4 covale ? ? B NAG . O4 ? ? ? 1_555 C NAG . C1 ? ? A NAG 1 A NAG 2 1_555 ? ? ? ? ? ? ? 1.437 ? covale5 covale ? ? C NAG . O4 ? ? ? 1_555 D MAN . C1 ? ? A NAG 2 A MAN 3 1_555 ? ? ? ? ? ? ? 1.439 ? covale6 covale ? ? D MAN . O4 ? ? ? 1_555 E BMA . C1 ? ? A MAN 3 A BMA 4 1_555 ? ? ? ? ? ? ? 1.442 ? covale7 covale ? ? D MAN . O6 ? ? ? 1_555 F MAN . C1 ? ? A MAN 3 A MAN 5 1_555 ? ? ? ? ? ? ? 1.441 ? covale8 covale ? ? G NAG . O4 ? ? ? 1_555 H NAG . C1 ? ? A NAG 687 A NAG 688 1_555 ? ? ? ? ? ? ? 1.445 ? covale9 covale ? ? I NAG . O4 ? ? ? 1_555 J NAG . C1 ? ? A NAG 689 A NAG 690 1_555 ? ? ? ? ? ? ? 1.439 ? covale10 covale ? ? J NAG . O4 ? ? ? 1_555 K BMA . C1 ? ? A NAG 690 A BMA 691 1_555 ? ? ? ? ? ? ? 1.438 ? covale11 covale ? ? K BMA . O4 ? ? ? 1_555 L BMA . C1 ? ? A BMA 691 A BMA 692 1_555 ? ? ? ? ? ? ? 1.435 ? covale12 covale ? ? L BMA . O4 ? ? ? 1_555 M MAN . C1 ? ? A BMA 692 A MAN 693 1_555 ? ? ? ? ? ? ? 1.438 ? covale13 covale ? ? M MAN . O4 ? ? ? 1_555 N BMA . C1 ? ? A MAN 693 A BMA 694 1_555 ? ? ? ? ? ? ? 1.439 ? metalc1 metalc ? ? A TYR 185 OH ? ? ? 1_555 P FE . FE ? ? A TYR 526 A FE 696 1_555 ? ? ? ? ? ? ? 1.939 ? metalc2 metalc ? ? A TYR 92 OH ? ? ? 1_555 P FE . FE ? ? A TYR 433 A FE 696 1_555 ? ? ? ? ? ? ? 2.023 ? metalc3 metalc ? ? A ASP 54 OD1 ? ? ? 1_555 P FE . FE ? ? A ASP 395 A FE 696 1_555 ? ? ? ? ? ? ? 2.117 ? metalc4 metalc ? ? P FE . FE ? ? ? 1_555 Q CO3 . O2 ? ? A FE 696 A CO3 697 1_555 ? ? ? ? ? ? ? 2.286 ? metalc5 metalc ? ? P FE . FE ? ? ? 1_555 A HIS 254 NE2 ? ? A FE 696 A HIS 595 1_555 ? ? ? ? ? ? ? 2.290 ? metalc6 metalc ? ? P FE . FE ? ? ? 1_555 Q CO3 . O1 ? ? A FE 696 A CO3 697 1_555 ? ? ? ? ? ? ? 2.557 ? metalc7 metalc ? ? R ZN . ZN ? ? ? 1_555 A GLU 318 OE2 ? ? A ZN 698 A GLU 659 1_555 ? ? ? ? ? ? ? 2.080 ? metalc8 metalc ? ? R ZN . ZN ? ? ? 1_555 U HOH . O ? ? A ZN 698 A HOH 927 1_555 ? ? ? ? ? ? ? 2.249 ? metalc9 metalc ? ? R ZN . ZN ? ? ? 1_555 A GLU 318 OE1 ? ? A ZN 698 A GLU 659 1_555 ? ? ? ? ? ? ? 2.279 ? metalc10 metalc ? ? S ZN . ZN ? ? ? 1_555 A HIS 247 NE2 ? ? A ZN 699 A HIS 588 1_555 ? ? ? ? ? ? ? 2.092 ? metalc11 metalc ? ? S ZN . ZN ? ? ? 1_555 U HOH . O ? ? A ZN 699 A HOH 924 1_555 ? ? ? ? ? ? ? 2.204 ? metalc12 metalc ? ? S ZN . ZN ? ? ? 1_555 U HOH . O ? ? A ZN 699 A HOH 925 1_555 ? ? ? ? ? ? ? 2.244 ? metalc13 metalc ? ? S ZN . ZN ? ? ? 1_555 U HOH . O ? ? A ZN 699 A HOH 926 1_555 ? ? ? ? ? ? ? 2.034 ? # 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 ? SER A 258 ? ALA A 596 SER A 599 B 3 VAL A 67 ? ASN A 73 ? VAL A 408 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 VAL A 4 ? N VAL A 345 O THR A 29 ? O THR A 370 B 1 2 N LEU A 51 ? N LEU A 392 O VAL A 257 ? O VAL A 598 B 2 3 O SER A 258 ? O SER A 599 N VAL A 67 ? N VAL A 408 B 3 4 N ALA A 71 ? N ALA A 412 O ALA A 308 ? O ALA A 649 C 1 2 O CYS A 150 ? O CYS A 491 N HIS A 117 ? N HIS A 458 C 2 3 N CYS A 116 ? N CYS A 457 O PHE A 201 ? O PHE A 542 C 3 4 O ALA A 200 ? O ALA A 541 N VAL A 97 ? N VAL A 438 C 4 5 N VAL A 98 ? N VAL A 439 O ARG A 229 ? O ARG A 570 C 5 6 N LEU A 230 ? N LEU A 571 O LYS A 238 ? O LYS A 579 D 1 2 O CYS A 150 ? O CYS A 491 N HIS A 117 ? N HIS A 458 D 2 3 N CYS A 116 ? N CYS A 457 O PHE A 201 ? O PHE A 542 D 3 4 O ALA A 200 ? O ALA A 541 N VAL A 97 ? N VAL A 438 D 4 5 N TYR A 92 ? N TYR A 433 O ALA A 251 ? O ALA A 592 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG A 1' AC2 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE NAG A 2' AC3 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE MAN A 3' AC4 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE BMA A 4' AC5 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE MAN A 5' AC6 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE NAG A 687' AC7 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG A 688' AC8 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG A 689' AC9 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 690' BC1 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE BMA A 691' BC2 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE BMA A 692' BC3 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE MAN A 693' BC4 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE BMA A 694' BC5 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE GLC A 695' BC6 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE FE A 696' BC7 Software ? ? ? ? 9 'BINDING SITE FOR RESIDUE CO3 A 697' BC8 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE ZN A 698' BC9 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE ZN A 699' CC1 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE SO4 A 700' # 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 3 NAG C . ? NAG A 2 . ? 1_555 ? 2 AC1 3 ASN A 135 ? ASN A 476 . ? 1_555 ? 3 AC1 3 ASN A 330 ? ASN A 671 . ? 1_555 ? 4 AC2 2 NAG B . ? NAG A 1 . ? 1_555 ? 5 AC2 2 MAN D . ? MAN A 3 . ? 1_555 ? 6 AC3 4 NAG C . ? NAG A 2 . ? 1_555 ? 7 AC3 4 BMA E . ? BMA A 4 . ? 1_555 ? 8 AC3 4 MAN F . ? MAN A 5 . ? 1_555 ? 9 AC3 4 HOH U . ? HOH A 836 . ? 1_555 ? 10 AC4 1 MAN D . ? MAN A 3 . ? 1_555 ? 11 AC5 1 MAN D . ? MAN A 3 . ? 1_555 ? 12 AC6 8 SER A 24 ? SER A 365 . ? 1_555 ? 13 AC6 8 ASN A 27 ? ASN A 368 . ? 1_555 ? 14 AC6 8 HIS A 272 ? HIS A 613 . ? 1_555 ? 15 AC6 8 NAG H . ? NAG A 688 . ? 1_555 ? 16 AC6 8 HOH U . ? HOH A 768 . ? 1_555 ? 17 AC6 8 HOH U . ? HOH A 781 . ? 1_555 ? 18 AC6 8 HOH U . ? HOH A 827 . ? 1_555 ? 19 AC6 8 HOH U . ? HOH A 834 . ? 1_555 ? 20 AC7 3 NAG G . ? NAG A 687 . ? 1_555 ? 21 AC7 3 HOH U . ? HOH A 768 . ? 1_555 ? 22 AC7 3 HOH U . ? HOH A 793 . ? 1_555 ? 23 AC8 3 ASN A 204 ? ASN A 545 . ? 1_555 ? 24 AC8 3 ASP A 205 ? ASP A 546 . ? 1_555 ? 25 AC8 3 NAG J . ? NAG A 690 . ? 1_555 ? 26 AC9 4 LYS A 75 ? LYS A 416 . ? 1_555 ? 27 AC9 4 NAG I . ? NAG A 689 . ? 1_555 ? 28 AC9 4 BMA K . ? BMA A 691 . ? 1_555 ? 29 AC9 4 HOH U . ? HOH A 726 . ? 1_555 ? 30 BC1 4 LYS A 75 ? LYS A 416 . ? 1_555 ? 31 BC1 4 NAG J . ? NAG A 690 . ? 1_555 ? 32 BC1 4 BMA L . ? BMA A 692 . ? 1_555 ? 33 BC1 4 HOH U . ? HOH A 726 . ? 1_555 ? 34 BC2 3 BMA K . ? BMA A 691 . ? 1_555 ? 35 BC2 3 MAN M . ? MAN A 693 . ? 1_555 ? 36 BC2 3 HOH U . ? HOH A 839 . ? 1_555 ? 37 BC3 2 BMA L . ? BMA A 692 . ? 1_555 ? 38 BC3 2 BMA N . ? BMA A 694 . ? 1_555 ? 39 BC4 1 MAN M . ? MAN A 693 . ? 1_555 ? 40 BC5 5 THR A 89 ? THR A 430 . ? 1_555 ? 41 BC5 5 GLU A 90 ? GLU A 431 . ? 1_555 ? 42 BC5 5 GLY A 91 ? GLY A 432 . ? 1_555 ? 43 BC5 5 VAL A 250 ? VAL A 591 . ? 1_555 ? 44 BC5 5 TYR A 319 ? TYR A 660 . ? 1_555 ? 45 BC6 5 ASP A 54 ? ASP A 395 . ? 1_555 ? 46 BC6 5 TYR A 92 ? TYR A 433 . ? 1_555 ? 47 BC6 5 TYR A 185 ? TYR A 526 . ? 1_555 ? 48 BC6 5 HIS A 254 ? HIS A 595 . ? 1_555 ? 49 BC6 5 CO3 Q . ? CO3 A 697 . ? 1_555 ? 50 BC7 9 ASP A 54 ? ASP A 395 . ? 1_555 ? 51 BC7 9 TYR A 92 ? TYR A 433 . ? 1_555 ? 52 BC7 9 THR A 118 ? THR A 459 . ? 1_555 ? 53 BC7 9 ARG A 122 ? ARG A 463 . ? 1_555 ? 54 BC7 9 THR A 123 ? THR A 464 . ? 1_555 ? 55 BC7 9 ALA A 124 ? ALA A 465 . ? 1_555 ? 56 BC7 9 GLY A 125 ? GLY A 466 . ? 1_555 ? 57 BC7 9 TYR A 185 ? TYR A 526 . ? 1_555 ? 58 BC7 9 FE P . ? FE A 696 . ? 1_555 ? 59 BC8 2 GLU A 318 ? GLU A 659 . ? 1_555 ? 60 BC8 2 HOH U . ? HOH A 927 . ? 1_555 ? 61 BC9 4 HIS A 247 ? HIS A 588 . ? 1_555 ? 62 BC9 4 HOH U . ? HOH A 924 . ? 1_555 ? 63 BC9 4 HOH U . ? HOH A 925 . ? 1_555 ? 64 BC9 4 HOH U . ? HOH A 926 . ? 1_555 ? 65 CC1 4 ARG A 229 ? ARG A 570 . ? 1_555 ? 66 CC1 4 ARG A 237 ? ARG A 578 . ? 1_555 ? 67 CC1 4 HOH U . ? HOH A 803 . ? 1_555 ? 68 CC1 4 HOH U . ? HOH A 888 . ? 1_555 ? # _database_PDB_matrix.entry_id 2HCA _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 2HCA _atom_sites.fract_transf_matrix[1][1] 0.015821 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.005022 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.019828 _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] 0.015926 _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 ? 39.850 12.025 31.405 1.00 50.58 ? 342 TYR A N 1 ATOM 2 C CA . TYR A 1 1 ? 39.221 13.063 30.529 1.00 50.90 ? 342 TYR A CA 1 ATOM 3 C C . TYR A 1 1 ? 38.720 12.498 29.206 1.00 50.47 ? 342 TYR A C 1 ATOM 4 O O . TYR A 1 1 ? 37.509 12.373 29.002 1.00 50.92 ? 342 TYR A O 1 ATOM 5 C CB . TYR A 1 1 ? 40.186 14.220 30.226 1.00 51.34 ? 342 TYR A CB 1 ATOM 6 C CG . TYR A 1 1 ? 39.934 15.527 30.957 1.00 52.12 ? 342 TYR A CG 1 ATOM 7 C CD1 . TYR A 1 1 ? 40.837 16.588 30.832 1.00 52.74 ? 342 TYR A CD1 1 ATOM 8 C CD2 . TYR A 1 1 ? 38.804 15.713 31.772 1.00 53.15 ? 342 TYR A CD2 1 ATOM 9 C CE1 . TYR A 1 1 ? 40.618 17.808 31.486 1.00 53.00 ? 342 TYR A CE1 1 ATOM 10 C CE2 . TYR A 1 1 ? 38.581 16.932 32.443 1.00 52.70 ? 342 TYR A CE2 1 ATOM 11 C CZ . TYR A 1 1 ? 39.496 17.968 32.289 1.00 52.30 ? 342 TYR A CZ 1 ATOM 12 O OH . TYR A 1 1 ? 39.308 19.165 32.928 1.00 52.14 ? 342 TYR A OH 1 ATOM 13 N N . THR A 1 2 ? 39.654 12.148 28.324 1.00 49.42 ? 343 THR A N 1 ATOM 14 C CA . THR A 1 2 ? 39.351 11.954 26.903 1.00 48.58 ? 343 THR A CA 1 ATOM 15 C C . THR A 1 2 ? 39.253 10.477 26.413 1.00 47.60 ? 343 THR A C 1 ATOM 16 O O . THR A 1 2 ? 39.627 10.159 25.273 1.00 47.81 ? 343 THR A O 1 ATOM 17 C CB . THR A 1 2 ? 40.310 12.843 26.020 1.00 48.83 ? 343 THR A CB 1 ATOM 18 O OG1 . THR A 1 2 ? 39.607 13.327 24.870 1.00 49.70 ? 343 THR A OG1 1 ATOM 19 C CG2 . THR A 1 2 ? 41.618 12.108 25.603 1.00 48.59 ? 343 THR A CG2 1 ATOM 20 N N . ARG A 1 3 ? 38.714 9.595 27.260 1.00 45.73 ? 344 ARG A N 1 ATOM 21 C CA . ARG A 1 3 ? 38.551 8.179 26.913 1.00 43.56 ? 344 ARG A CA 1 ATOM 22 C C . ARG A 1 3 ? 37.097 7.738 27.111 1.00 41.70 ? 344 ARG A C 1 ATOM 23 O O . ARG A 1 3 ? 36.501 7.992 28.165 1.00 41.88 ? 344 ARG A O 1 ATOM 24 C CB . ARG A 1 3 ? 39.522 7.313 27.732 1.00 44.00 ? 344 ARG A CB 1 ATOM 25 C CG . ARG A 1 3 ? 39.696 5.882 27.210 1.00 44.72 ? 344 ARG A CG 1 ATOM 26 C CD . ARG A 1 3 ? 38.988 4.843 28.078 1.00 45.70 ? 344 ARG A CD 1 ATOM 27 N NE . ARG A 1 3 ? 39.753 4.534 29.294 1.00 46.64 ? 344 ARG A NE 1 ATOM 28 C CZ . ARG A 1 3 ? 39.601 3.431 30.029 1.00 46.74 ? 344 ARG A CZ 1 ATOM 29 N NH1 . ARG A 1 3 ? 38.711 2.506 29.681 1.00 47.27 ? 344 ARG A NH1 1 ATOM 30 N NH2 . ARG A 1 3 ? 40.347 3.244 31.111 1.00 46.26 ? 344 ARG A NH2 1 ATOM 31 N N . VAL A 1 4 ? 36.539 7.078 26.096 1.00 38.72 ? 345 VAL A N 1 ATOM 32 C CA . VAL A 1 4 ? 35.120 6.709 26.066 1.00 35.57 ? 345 VAL A CA 1 ATOM 33 C C . VAL A 1 4 ? 34.944 5.200 26.181 1.00 33.79 ? 345 VAL A C 1 ATOM 34 O O . VAL A 1 4 ? 35.510 4.451 25.391 1.00 33.81 ? 345 VAL A O 1 ATOM 35 C CB . VAL A 1 4 ? 34.432 7.253 24.773 1.00 35.57 ? 345 VAL A CB 1 ATOM 36 C CG1 . VAL A 1 4 ? 33.216 6.404 24.328 1.00 35.34 ? 345 VAL A CG1 1 ATOM 37 C CG2 . VAL A 1 4 ? 34.051 8.691 24.958 1.00 34.65 ? 345 VAL A CG2 1 ATOM 38 N N . VAL A 1 5 ? 34.170 4.768 27.173 1.00 31.32 ? 346 VAL A N 1 ATOM 39 C CA . VAL A 1 5 ? 33.755 3.373 27.310 1.00 29.23 ? 346 VAL A CA 1 ATOM 40 C C . VAL A 1 5 ? 32.392 3.190 26.615 1.00 27.73 ? 346 VAL A C 1 ATOM 41 O O . VAL A 1 5 ? 31.359 3.621 27.128 1.00 27.65 ? 346 VAL A O 1 ATOM 42 C CB . VAL A 1 5 ? 33.647 2.958 28.795 1.00 29.27 ? 346 VAL A CB 1 ATOM 43 C CG1 . VAL A 1 5 ? 33.291 1.479 28.929 1.00 29.39 ? 346 VAL A CG1 1 ATOM 44 C CG2 . VAL A 1 5 ? 34.941 3.251 29.524 1.00 29.53 ? 346 VAL A CG2 1 ATOM 45 N N . TRP A 1 6 ? 32.406 2.570 25.438 1.00 25.49 ? 347 TRP A N 1 ATOM 46 C CA . TRP A 1 6 ? 31.201 2.323 24.660 1.00 23.40 ? 347 TRP A CA 1 ATOM 47 C C . TRP A 1 6 ? 30.561 1.019 25.108 1.00 22.67 ? 347 TRP A C 1 ATOM 48 O O . TRP A 1 6 ? 31.259 0.049 25.474 1.00 22.64 ? 347 TRP A O 1 ATOM 49 C CB . TRP A 1 6 ? 31.556 2.219 23.180 1.00 23.00 ? 347 TRP A CB 1 ATOM 50 C CG . TRP A 1 6 ? 30.416 2.453 22.255 1.00 22.01 ? 347 TRP A CG 1 ATOM 51 C CD1 . TRP A 1 6 ? 29.544 1.526 21.777 1.00 21.19 ? 347 TRP A CD1 1 ATOM 52 C CD2 . TRP A 1 6 ? 30.033 3.704 21.671 1.00 21.26 ? 347 TRP A CD2 1 ATOM 53 N NE1 . TRP A 1 6 ? 28.635 2.120 20.932 1.00 20.32 ? 347 TRP A NE1 1 ATOM 54 C CE2 . TRP A 1 6 ? 28.916 3.458 20.854 1.00 20.94 ? 347 TRP A CE2 1 ATOM 55 C CE3 . TRP A 1 6 ? 30.523 5.011 21.768 1.00 20.65 ? 347 TRP A CE3 1 ATOM 56 C CZ2 . TRP A 1 6 ? 28.287 4.469 20.136 1.00 22.36 ? 347 TRP A CZ2 1 ATOM 57 C CZ3 . TRP A 1 6 ? 29.894 6.013 21.059 1.00 20.77 ? 347 TRP A CZ3 1 ATOM 58 C CH2 . TRP A 1 6 ? 28.793 5.742 20.256 1.00 21.78 ? 347 TRP A CH2 1 ATOM 59 N N . CYS A 1 7 ? 29.234 0.983 25.067 1.00 20.95 ? 348 CYS A N 1 ATOM 60 C CA . CYS A 1 7 ? 28.505 -0.204 25.508 1.00 19.95 ? 348 CYS A CA 1 ATOM 61 C C . CYS A 1 7 ? 27.951 -0.982 24.329 1.00 19.21 ? 348 CYS A C 1 ATOM 62 O O . CYS A 1 7 ? 27.026 -0.520 23.648 1.00 18.72 ? 348 CYS A O 1 ATOM 63 C CB . CYS A 1 7 ? 27.364 0.159 26.465 1.00 20.11 ? 348 CYS A CB 1 ATOM 64 S SG . CYS A 1 7 ? 26.797 -1.234 27.495 1.00 18.69 ? 348 CYS A SG 1 ATOM 65 N N . ALA A 1 8 ? 28.528 -2.165 24.112 1.00 18.50 ? 349 ALA A N 1 ATOM 66 C CA . ALA A 1 8 ? 28.051 -3.120 23.122 1.00 17.96 ? 349 ALA A CA 1 ATOM 67 C C . ALA A 1 8 ? 27.016 -4.070 23.724 1.00 17.63 ? 349 ALA A C 1 ATOM 68 O O . ALA A 1 8 ? 27.192 -4.562 24.850 1.00 17.35 ? 349 ALA A O 1 ATOM 69 C CB . ALA A 1 8 ? 29.207 -3.899 22.531 1.00 17.84 ? 349 ALA A CB 1 ATOM 70 N N . VAL A 1 9 ? 25.939 -4.299 22.966 1.00 17.08 ? 350 VAL A N 1 ATOM 71 C CA . VAL A 1 9 ? 24.893 -5.245 23.336 1.00 16.86 ? 350 VAL A CA 1 ATOM 72 C C . VAL A 1 9 ? 25.082 -6.521 22.539 1.00 16.55 ? 350 VAL A C 1 ATOM 73 O O . VAL A 1 9 ? 24.936 -6.522 21.308 1.00 15.95 ? 350 VAL A O 1 ATOM 74 C CB . VAL A 1 9 ? 23.476 -4.679 23.054 1.00 17.18 ? 350 VAL A CB 1 ATOM 75 C CG1 . VAL A 1 9 ? 22.399 -5.624 23.581 1.00 16.10 ? 350 VAL A CG1 1 ATOM 76 C CG2 . VAL A 1 9 ? 23.322 -3.289 23.673 1.00 17.63 ? 350 VAL A CG2 1 ATOM 77 N N . GLY A 1 10 ? 25.419 -7.598 23.248 1.00 16.50 ? 351 GLY A N 1 ATOM 78 C CA . GLY A 1 10 ? 25.577 -8.921 22.640 1.00 17.03 ? 351 GLY A CA 1 ATOM 79 C C . GLY A 1 10 ? 27.007 -9.151 22.223 1.00 17.75 ? 351 GLY A C 1 ATOM 80 O O . GLY A 1 10 ? 27.792 -8.193 22.176 1.00 18.05 ? 351 GLY A O 1 ATOM 81 N N . PRO A 1 11 ? 27.380 -10.421 21.944 1.00 18.24 ? 352 PRO A N 1 ATOM 82 C CA . PRO A 1 11 ? 28.754 -10.792 21.525 1.00 18.62 ? 352 PRO A CA 1 ATOM 83 C C . PRO A 1 11 ? 29.194 -10.376 20.101 1.00 19.13 ? 352 PRO A C 1 ATOM 84 O O . PRO A 1 11 ? 30.379 -10.258 19.844 1.00 18.48 ? 352 PRO A O 1 ATOM 85 C CB . PRO A 1 11 ? 28.750 -12.312 21.662 1.00 18.67 ? 352 PRO A CB 1 ATOM 86 C CG . PRO A 1 11 ? 27.340 -12.694 21.437 1.00 17.85 ? 352 PRO A CG 1 ATOM 87 C CD . PRO A 1 11 ? 26.523 -11.610 22.080 1.00 18.03 ? 352 PRO A CD 1 ATOM 88 N N . GLU A 1 12 ? 28.261 -10.169 19.183 1.00 20.63 ? 353 GLU A N 1 ATOM 89 C CA . GLU A 1 12 ? 28.642 -9.741 17.832 1.00 22.42 ? 353 GLU A CA 1 ATOM 90 C C . GLU A 1 12 ? 29.070 -8.284 17.836 1.00 22.42 ? 353 GLU A C 1 ATOM 91 O O . GLU A 1 12 ? 29.998 -7.916 17.115 1.00 22.29 ? 353 GLU A O 1 ATOM 92 C CB . GLU A 1 12 ? 27.525 -9.988 16.792 1.00 22.31 ? 353 GLU A CB 1 ATOM 93 C CG . GLU A 1 12 ? 27.340 -11.465 16.375 1.00 23.61 ? 353 GLU A CG 1 ATOM 94 C CD . GLU A 1 12 ? 26.493 -11.645 15.107 1.00 24.49 ? 353 GLU A CD 1 ATOM 95 O OE1 . GLU A 1 12 ? 25.450 -10.956 14.953 1.00 28.38 ? 353 GLU A OE1 1 ATOM 96 O OE2 . GLU A 1 12 ? 26.862 -12.491 14.256 1.00 27.46 ? 353 GLU A OE2 1 ATOM 97 N N . GLU A 1 13 ? 28.388 -7.469 18.646 1.00 23.03 ? 354 GLU A N 1 ATOM 98 C CA . GLU A 1 13 ? 28.703 -6.041 18.792 1.00 23.63 ? 354 GLU A CA 1 ATOM 99 C C . GLU A 1 13 ? 29.975 -5.835 19.614 1.00 24.25 ? 354 GLU A C 1 ATOM 100 O O . GLU A 1 13 ? 30.685 -4.852 19.427 1.00 23.94 ? 354 GLU A O 1 ATOM 101 C CB . GLU A 1 13 ? 27.549 -5.279 19.452 1.00 23.68 ? 354 GLU A CB 1 ATOM 102 C CG . GLU A 1 13 ? 26.463 -4.732 18.516 1.00 23.34 ? 354 GLU A CG 1 ATOM 103 C CD . GLU A 1 13 ? 25.509 -3.760 19.224 1.00 23.71 ? 354 GLU A CD 1 ATOM 104 O OE1 . GLU A 1 13 ? 25.684 -3.500 20.433 1.00 23.03 ? 354 GLU A OE1 1 ATOM 105 O OE2 . GLU A 1 13 ? 24.574 -3.249 18.571 1.00 25.02 ? 354 GLU A OE2 1 ATOM 106 N N . GLN A 1 14 ? 30.256 -6.758 20.536 1.00 25.15 ? 355 GLN A N 1 ATOM 107 C CA . GLN A 1 14 ? 31.502 -6.689 21.309 1.00 25.82 ? 355 GLN A CA 1 ATOM 108 C C . GLN A 1 14 ? 32.731 -6.887 20.422 1.00 25.45 ? 355 GLN A C 1 ATOM 109 O O . GLN A 1 14 ? 33.782 -6.319 20.703 1.00 25.70 ? 355 GLN A O 1 ATOM 110 C CB . GLN A 1 14 ? 31.521 -7.683 22.483 1.00 25.63 ? 355 GLN A CB 1 ATOM 111 C CG . GLN A 1 14 ? 32.727 -7.500 23.433 1.00 26.49 ? 355 GLN A CG 1 ATOM 112 C CD . GLN A 1 14 ? 33.003 -8.717 24.339 1.00 27.22 ? 355 GLN A CD 1 ATOM 113 O OE1 . GLN A 1 14 ? 32.393 -9.784 24.196 1.00 28.03 ? 355 GLN A OE1 1 ATOM 114 N NE2 . GLN A 1 14 ? 33.940 -8.550 25.273 1.00 29.68 ? 355 GLN A NE2 1 ATOM 115 N N . LYS A 1 15 ? 32.607 -7.676 19.360 1.00 25.12 ? 356 LYS A N 1 ATOM 116 C CA . LYS A 1 15 ? 33.767 -7.929 18.515 1.00 25.33 ? 356 LYS A CA 1 ATOM 117 C C . LYS A 1 15 ? 34.054 -6.761 17.535 1.00 25.11 ? 356 LYS A C 1 ATOM 118 O O . LYS A 1 15 ? 35.211 -6.432 17.262 1.00 24.75 ? 356 LYS A O 1 ATOM 119 C CB . LYS A 1 15 ? 33.722 -9.344 17.901 1.00 25.27 ? 356 LYS A CB 1 ATOM 120 C CG . LYS A 1 15 ? 33.193 -9.483 16.499 1.00 26.69 ? 356 LYS A CG 1 ATOM 121 C CD . LYS A 1 15 ? 34.336 -9.675 15.494 1.00 30.44 ? 356 LYS A CD 1 ATOM 122 C CE . LYS A 1 15 ? 35.276 -10.862 15.834 1.00 32.91 ? 356 LYS A CE 1 ATOM 123 N NZ . LYS A 1 15 ? 34.601 -12.208 15.953 1.00 33.43 ? 356 LYS A NZ 1 ATOM 124 N N . LYS A 1 16 ? 33.005 -6.104 17.056 1.00 25.21 ? 357 LYS A N 1 ATOM 125 C CA . LYS A 1 16 ? 33.198 -4.881 16.290 1.00 25.60 ? 357 LYS A CA 1 ATOM 126 C C . LYS A 1 16 ? 33.773 -3.750 17.157 1.00 26.23 ? 357 LYS A C 1 ATOM 127 O O . LYS A 1 16 ? 34.610 -2.977 16.693 1.00 26.66 ? 357 LYS A O 1 ATOM 128 C CB . LYS A 1 16 ? 31.909 -4.432 15.583 1.00 25.43 ? 357 LYS A CB 1 ATOM 129 C CG . LYS A 1 16 ? 32.044 -3.074 14.910 1.00 24.54 ? 357 LYS A CG 1 ATOM 130 C CD . LYS A 1 16 ? 30.841 -2.667 14.079 1.00 24.69 ? 357 LYS A CD 1 ATOM 131 C CE . LYS A 1 16 ? 30.972 -1.185 13.671 1.00 22.17 ? 357 LYS A CE 1 ATOM 132 N NZ . LYS A 1 16 ? 29.821 -0.641 12.890 1.00 20.71 ? 357 LYS A NZ 1 ATOM 133 N N . CYS A 1 17 ? 33.321 -3.648 18.403 1.00 26.93 ? 358 CYS A N 1 ATOM 134 C CA . CYS A 1 17 ? 33.807 -2.604 19.313 1.00 27.62 ? 358 CYS A CA 1 ATOM 135 C C . CYS A 1 17 ? 35.283 -2.819 19.681 1.00 28.33 ? 358 CYS A C 1 ATOM 136 O O . CYS A 1 17 ? 36.072 -1.860 19.713 1.00 28.17 ? 358 CYS A O 1 ATOM 137 C CB . CYS A 1 17 ? 32.937 -2.513 20.577 1.00 27.50 ? 358 CYS A CB 1 ATOM 138 S SG . CYS A 1 17 ? 33.396 -1.156 21.722 1.00 26.94 ? 358 CYS A SG 1 ATOM 139 N N . GLN A 1 18 ? 35.646 -4.073 19.955 1.00 28.98 ? 359 GLN A N 1 ATOM 140 C CA . GLN A 1 18 ? 37.026 -4.423 20.256 1.00 30.02 ? 359 GLN A CA 1 ATOM 141 C C . GLN A 1 18 ? 37.948 -4.024 19.087 1.00 29.99 ? 359 GLN A C 1 ATOM 142 O O . GLN A 1 18 ? 39.021 -3.457 19.306 1.00 29.83 ? 359 GLN A O 1 ATOM 143 C CB . GLN A 1 18 ? 37.142 -5.906 20.620 1.00 29.49 ? 359 GLN A CB 1 ATOM 144 C CG . GLN A 1 18 ? 36.831 -6.206 22.084 1.00 31.08 ? 359 GLN A CG 1 ATOM 145 C CD . GLN A 1 18 ? 36.825 -7.718 22.436 1.00 32.24 ? 359 GLN A CD 1 ATOM 146 O OE1 . GLN A 1 18 ? 36.817 -8.586 21.549 1.00 36.11 ? 359 GLN A OE1 1 ATOM 147 N NE2 . GLN A 1 18 ? 36.814 -8.025 23.741 1.00 33.25 ? 359 GLN A NE2 1 ATOM 148 N N . GLN A 1 19 ? 37.506 -4.291 17.858 1.00 30.23 ? 360 GLN A N 1 ATOM 149 C CA . GLN A 1 19 ? 38.234 -3.888 16.655 1.00 31.08 ? 360 GLN A CA 1 ATOM 150 C C . GLN A 1 19 ? 38.334 -2.370 16.513 1.00 30.59 ? 360 GLN A C 1 ATOM 151 O O . GLN A 1 19 ? 39.420 -1.842 16.239 1.00 30.73 ? 360 GLN A O 1 ATOM 152 C CB . GLN A 1 19 ? 37.580 -4.477 15.410 1.00 30.97 ? 360 GLN A CB 1 ATOM 153 C CG . GLN A 1 19 ? 38.103 -5.849 15.016 1.00 32.57 ? 360 GLN A CG 1 ATOM 154 C CD . GLN A 1 19 ? 37.440 -6.377 13.740 1.00 33.54 ? 360 GLN A CD 1 ATOM 155 O OE1 . GLN A 1 19 ? 37.422 -5.689 12.704 1.00 36.61 ? 360 GLN A OE1 1 ATOM 156 N NE2 . GLN A 1 19 ? 36.896 -7.610 13.806 1.00 36.09 ? 360 GLN A NE2 1 ATOM 157 N N . TRP A 1 20 ? 37.196 -1.685 16.681 1.00 30.05 ? 361 TRP A N 1 ATOM 158 C CA . TRP A 1 20 ? 37.155 -0.226 16.823 1.00 29.34 ? 361 TRP A CA 1 ATOM 159 C C . TRP A 1 20 ? 38.131 0.210 17.900 1.00 29.32 ? 361 TRP A C 1 ATOM 160 O O . TRP A 1 20 ? 38.908 1.113 17.680 1.00 29.26 ? 361 TRP A O 1 ATOM 161 C CB . TRP A 1 20 ? 35.728 0.283 17.158 1.00 28.78 ? 361 TRP A CB 1 ATOM 162 C CG . TRP A 1 20 ? 35.632 1.811 17.351 1.00 27.89 ? 361 TRP A CG 1 ATOM 163 C CD1 . TRP A 1 20 ? 36.557 2.743 16.965 1.00 27.15 ? 361 TRP A CD1 1 ATOM 164 C CD2 . TRP A 1 20 ? 34.548 2.556 17.945 1.00 27.39 ? 361 TRP A CD2 1 ATOM 165 N NE1 . TRP A 1 20 ? 36.133 4.005 17.299 1.00 27.91 ? 361 TRP A NE1 1 ATOM 166 C CE2 . TRP A 1 20 ? 34.900 3.925 17.890 1.00 27.30 ? 361 TRP A CE2 1 ATOM 167 C CE3 . TRP A 1 20 ? 33.324 2.202 18.523 1.00 27.18 ? 361 TRP A CE3 1 ATOM 168 C CZ2 . TRP A 1 20 ? 34.072 4.938 18.389 1.00 26.57 ? 361 TRP A CZ2 1 ATOM 169 C CZ3 . TRP A 1 20 ? 32.498 3.224 19.019 1.00 27.29 ? 361 TRP A CZ3 1 ATOM 170 C CH2 . TRP A 1 20 ? 32.883 4.568 18.949 1.00 26.63 ? 361 TRP A CH2 1 ATOM 171 N N . SER A 1 21 ? 38.087 -0.439 19.057 1.00 29.76 ? 362 SER A N 1 ATOM 172 C CA . SER A 1 21 ? 38.979 -0.100 20.163 1.00 30.65 ? 362 SER A CA 1 ATOM 173 C C . SER A 1 21 ? 40.456 -0.379 19.825 1.00 31.45 ? 362 SER A C 1 ATOM 174 O O . SER A 1 21 ? 41.350 0.359 20.259 1.00 31.03 ? 362 SER A O 1 ATOM 175 C CB . SER A 1 21 ? 38.562 -0.851 21.433 1.00 30.47 ? 362 SER A CB 1 ATOM 176 O OG . SER A 1 21 ? 39.472 -0.631 22.493 1.00 28.90 ? 362 SER A OG 1 ATOM 177 N N . GLN A 1 22 ? 40.691 -1.449 19.060 1.00 32.51 ? 363 GLN A N 1 ATOM 178 C CA . GLN A 1 22 ? 42.028 -1.806 18.570 1.00 33.54 ? 363 GLN A CA 1 ATOM 179 C C . GLN A 1 22 ? 42.587 -0.620 17.785 1.00 33.52 ? 363 GLN A C 1 ATOM 180 O O . GLN A 1 22 ? 43.657 -0.104 18.099 1.00 33.25 ? 363 GLN A O 1 ATOM 181 C CB . GLN A 1 22 ? 41.951 -3.052 17.670 1.00 33.98 ? 363 GLN A CB 1 ATOM 182 C CG . GLN A 1 22 ? 43.278 -3.781 17.442 1.00 36.06 ? 363 GLN A CG 1 ATOM 183 C CD . GLN A 1 22 ? 43.482 -4.990 18.374 1.00 38.76 ? 363 GLN A CD 1 ATOM 184 O OE1 . GLN A 1 22 ? 42.519 -5.616 18.845 1.00 38.84 ? 363 GLN A OE1 1 ATOM 185 N NE2 . GLN A 1 22 ? 44.750 -5.330 18.625 1.00 38.74 ? 363 GLN A NE2 1 ATOM 186 N N . GLN A 1 23 ? 41.809 -0.172 16.802 1.00 33.68 ? 364 GLN A N 1 ATOM 187 C CA . GLN A 1 23 ? 42.214 0.868 15.864 1.00 34.04 ? 364 GLN A CA 1 ATOM 188 C C . GLN A 1 23 ? 42.164 2.304 16.410 1.00 33.84 ? 364 GLN A C 1 ATOM 189 O O . GLN A 1 23 ? 42.612 3.235 15.741 1.00 33.96 ? 364 GLN A O 1 ATOM 190 C CB . GLN A 1 23 ? 41.388 0.757 14.572 1.00 34.23 ? 364 GLN A CB 1 ATOM 191 C CG . GLN A 1 23 ? 41.584 -0.552 13.799 1.00 35.50 ? 364 GLN A CG 1 ATOM 192 C CD . GLN A 1 23 ? 42.790 -0.519 12.867 1.00 37.83 ? 364 GLN A CD 1 ATOM 193 O OE1 . GLN A 1 23 ? 43.089 0.507 12.245 1.00 39.31 ? 364 GLN A OE1 1 ATOM 194 N NE2 . GLN A 1 23 ? 43.488 -1.647 12.760 1.00 39.60 ? 364 GLN A NE2 1 ATOM 195 N N . SER A 1 24 ? 41.637 2.491 17.615 1.00 33.91 ? 365 SER A N 1 ATOM 196 C CA . SER A 1 24 ? 41.533 3.834 18.214 1.00 33.94 ? 365 SER A CA 1 ATOM 197 C C . SER A 1 24 ? 42.636 4.142 19.247 1.00 34.17 ? 365 SER A C 1 ATOM 198 O O . SER A 1 24 ? 42.690 5.249 19.791 1.00 34.04 ? 365 SER A O 1 ATOM 199 C CB . SER A 1 24 ? 40.174 3.992 18.872 1.00 33.67 ? 365 SER A CB 1 ATOM 200 O OG . SER A 1 24 ? 40.096 3.163 20.023 1.00 33.80 ? 365 SER A OG 1 ATOM 201 N N . GLY A 1 25 ? 43.495 3.154 19.508 1.00 34.39 ? 366 GLY A N 1 ATOM 202 C CA . GLY A 1 25 ? 44.555 3.247 20.499 1.00 34.82 ? 366 GLY A CA 1 ATOM 203 C C . GLY A 1 25 ? 44.020 3.516 21.891 1.00 35.55 ? 366 GLY A C 1 ATOM 204 O O . GLY A 1 25 ? 44.540 4.384 22.607 1.00 35.66 ? 366 GLY A O 1 ATOM 205 N N . GLN A 1 26 ? 42.973 2.781 22.271 1.00 35.90 ? 367 GLN A N 1 ATOM 206 C CA . GLN A 1 26 ? 42.295 2.966 23.566 1.00 36.28 ? 367 GLN A CA 1 ATOM 207 C C . GLN A 1 26 ? 41.554 4.295 23.749 1.00 35.88 ? 367 GLN A C 1 ATOM 208 O O . GLN A 1 26 ? 41.104 4.592 24.862 1.00 36.12 ? 367 GLN A O 1 ATOM 209 C CB . GLN A 1 26 ? 43.263 2.770 24.738 1.00 36.65 ? 367 GLN A CB 1 ATOM 210 C CG . GLN A 1 26 ? 43.238 1.385 25.351 1.00 39.03 ? 367 GLN A CG 1 ATOM 211 C CD . GLN A 1 26 ? 43.483 0.282 24.338 1.00 41.16 ? 367 GLN A CD 1 ATOM 212 O OE1 . GLN A 1 26 ? 44.522 0.237 23.677 1.00 42.49 ? 367 GLN A OE1 1 ATOM 213 N NE2 . GLN A 1 26 ? 42.523 -0.622 24.221 1.00 42.58 ? 367 GLN A NE2 1 ATOM 214 N N . ASN A 1 27 ? 41.423 5.096 22.688 1.00 35.23 ? 368 ASN A N 1 ATOM 215 C CA . ASN A 1 27 ? 40.583 6.303 22.759 1.00 34.46 ? 368 ASN A CA 1 ATOM 216 C C . ASN A 1 27 ? 39.129 5.901 23.056 1.00 33.76 ? 368 ASN A C 1 ATOM 217 O O . ASN A 1 27 ? 38.407 6.634 23.721 1.00 33.81 ? 368 ASN A O 1 ATOM 218 C CB . ASN A 1 27 ? 40.714 7.189 21.494 1.00 34.63 ? 368 ASN A CB 1 ATOM 219 C CG . ASN A 1 27 ? 42.038 8.012 21.456 1.00 35.33 ? 368 ASN A CG 1 ATOM 220 O OD1 . ASN A 1 27 ? 42.798 8.041 22.431 1.00 37.33 ? 368 ASN A OD1 1 ATOM 221 N ND2 . ASN A 1 27 ? 42.301 8.677 20.319 1.00 34.39 ? 368 ASN A ND2 1 ATOM 222 N N . VAL A 1 28 ? 38.733 4.711 22.589 1.00 32.95 ? 369 VAL A N 1 ATOM 223 C CA . VAL A 1 28 ? 37.444 4.080 22.926 1.00 31.97 ? 369 VAL A CA 1 ATOM 224 C C . VAL A 1 28 ? 37.665 2.678 23.478 1.00 30.92 ? 369 VAL A C 1 ATOM 225 O O . VAL A 1 28 ? 38.410 1.894 22.894 1.00 30.80 ? 369 VAL A O 1 ATOM 226 C CB . VAL A 1 28 ? 36.495 3.999 21.688 1.00 32.40 ? 369 VAL A CB 1 ATOM 227 C CG1 . VAL A 1 28 ? 35.228 3.157 21.982 1.00 31.59 ? 369 VAL A CG1 1 ATOM 228 C CG2 . VAL A 1 28 ? 36.118 5.409 21.221 1.00 33.18 ? 369 VAL A CG2 1 ATOM 229 N N . THR A 1 29 ? 36.997 2.378 24.591 1.00 29.99 ? 370 THR A N 1 ATOM 230 C CA . THR A 1 29 ? 37.050 1.074 25.282 1.00 29.27 ? 370 THR A CA 1 ATOM 231 C C . THR A 1 29 ? 35.631 0.453 25.332 1.00 28.32 ? 370 THR A C 1 ATOM 232 O O . THR A 1 29 ? 34.641 1.172 25.178 1.00 28.62 ? 370 THR A O 1 ATOM 233 C CB . THR A 1 29 ? 37.720 1.260 26.687 1.00 29.39 ? 370 THR A CB 1 ATOM 234 O OG1 . THR A 1 29 ? 39.127 1.433 26.499 1.00 29.95 ? 370 THR A OG1 1 ATOM 235 C CG2 . THR A 1 29 ? 37.520 0.067 27.623 1.00 30.33 ? 370 THR A CG2 1 ATOM 236 N N . CYS A 1 30 ? 35.521 -0.863 25.536 1.00 27.00 ? 371 CYS A N 1 ATOM 237 C CA . CYS A 1 30 ? 34.213 -1.546 25.426 1.00 25.64 ? 371 CYS A CA 1 ATOM 238 C C . CYS A 1 30 ? 33.696 -2.279 26.665 1.00 24.79 ? 371 CYS A C 1 ATOM 239 O O . CYS A 1 30 ? 34.301 -3.241 27.131 1.00 24.57 ? 371 CYS A O 1 ATOM 240 C CB . CYS A 1 30 ? 34.243 -2.548 24.267 1.00 25.73 ? 371 CYS A CB 1 ATOM 241 S SG . CYS A 1 30 ? 34.981 -1.929 22.760 1.00 25.34 ? 371 CYS A SG 1 ATOM 242 N N . ALA A 1 31 ? 32.549 -1.851 27.177 1.00 23.98 ? 372 ALA A N 1 ATOM 243 C CA . ALA A 1 31 ? 31.819 -2.674 28.141 1.00 22.98 ? 372 ALA A CA 1 ATOM 244 C C . ALA A 1 31 ? 30.831 -3.547 27.375 1.00 22.34 ? 372 ALA A C 1 ATOM 245 O O . ALA A 1 31 ? 30.545 -3.271 26.210 1.00 22.25 ? 372 ALA A O 1 ATOM 246 C CB . ALA A 1 31 ? 31.109 -1.817 29.145 1.00 22.96 ? 372 ALA A CB 1 ATOM 247 N N . THR A 1 32 ? 30.325 -4.603 28.007 1.00 21.56 ? 373 THR A N 1 ATOM 248 C CA . THR A 1 32 ? 29.398 -5.509 27.329 1.00 21.07 ? 373 THR A CA 1 ATOM 249 C C . THR A 1 32 ? 28.211 -5.884 28.206 1.00 21.10 ? 373 THR A C 1 ATOM 250 O O . THR A 1 32 ? 28.357 -6.103 29.409 1.00 21.28 ? 373 THR A O 1 ATOM 251 C CB . THR A 1 32 ? 30.117 -6.750 26.780 1.00 20.91 ? 373 THR A CB 1 ATOM 252 O OG1 . THR A 1 32 ? 31.097 -6.328 25.823 1.00 21.36 ? 373 THR A OG1 1 ATOM 253 C CG2 . THR A 1 32 ? 29.153 -7.681 26.083 1.00 20.62 ? 373 THR A CG2 1 ATOM 254 N N . ALA A 1 33 ? 27.032 -5.923 27.589 1.00 20.84 ? 374 ALA A N 1 ATOM 255 C CA . ALA A 1 33 ? 25.805 -6.309 28.265 1.00 20.80 ? 374 ALA A CA 1 ATOM 256 C C . ALA A 1 33 ? 24.979 -7.232 27.375 1.00 20.68 ? 374 ALA A C 1 ATOM 257 O O . ALA A 1 33 ? 25.194 -7.283 26.162 1.00 20.80 ? 374 ALA A O 1 ATOM 258 C CB . ALA A 1 33 ? 24.997 -5.064 28.648 1.00 21.10 ? 374 ALA A CB 1 ATOM 259 N N . SER A 1 34 ? 24.024 -7.939 27.973 1.00 20.30 ? 375 SER A N 1 ATOM 260 C CA . SER A 1 34 ? 23.165 -8.841 27.221 1.00 20.31 ? 375 SER A CA 1 ATOM 261 C C . SER A 1 34 ? 22.044 -8.160 26.455 1.00 19.72 ? 375 SER A C 1 ATOM 262 O O . SER A 1 34 ? 21.587 -8.684 25.458 1.00 20.23 ? 375 SER A O 1 ATOM 263 C CB . SER A 1 34 ? 22.553 -9.894 28.149 1.00 20.73 ? 375 SER A CB 1 ATOM 264 O OG . SER A 1 34 ? 23.285 -11.111 28.083 1.00 22.79 ? 375 SER A OG 1 ATOM 265 N N . THR A 1 35 ? 21.574 -7.019 26.937 1.00 19.04 ? 376 THR A N 1 ATOM 266 C CA . THR A 1 35 ? 20.363 -6.398 26.413 1.00 18.34 ? 376 THR A CA 1 ATOM 267 C C . THR A 1 35 ? 20.545 -4.912 26.529 1.00 17.92 ? 376 THR A C 1 ATOM 268 O O . THR A 1 35 ? 21.350 -4.463 27.336 1.00 18.54 ? 376 THR A O 1 ATOM 269 C CB . THR A 1 35 ? 19.146 -6.774 27.245 1.00 18.56 ? 376 THR A CB 1 ATOM 270 O OG1 . THR A 1 35 ? 19.293 -6.230 28.564 1.00 18.53 ? 376 THR A OG1 1 ATOM 271 C CG2 . THR A 1 35 ? 18.999 -8.303 27.342 1.00 18.94 ? 376 THR A CG2 1 ATOM 272 N N . THR A 1 36 ? 19.806 -4.143 25.740 1.00 17.31 ? 377 THR A N 1 ATOM 273 C CA . THR A 1 36 ? 19.989 -2.703 25.699 1.00 16.80 ? 377 THR A CA 1 ATOM 274 C C . THR A 1 36 ? 19.752 -2.124 27.078 1.00 17.27 ? 377 THR A C 1 ATOM 275 O O . THR A 1 36 ? 20.484 -1.214 27.528 1.00 17.06 ? 377 THR A O 1 ATOM 276 C CB . THR A 1 36 ? 19.038 -2.032 24.698 1.00 16.35 ? 377 THR A CB 1 ATOM 277 O OG1 . THR A 1 36 ? 19.272 -2.577 23.410 1.00 16.18 ? 377 THR A OG1 1 ATOM 278 C CG2 . THR A 1 36 ? 19.297 -0.556 24.613 1.00 15.44 ? 377 THR A CG2 1 ATOM 279 N N . ASP A 1 37 ? 18.736 -2.671 27.750 1.00 17.45 ? 378 ASP A N 1 ATOM 280 C CA . ASP A 1 37 ? 18.330 -2.176 29.051 1.00 17.59 ? 378 ASP A CA 1 ATOM 281 C C . ASP A 1 37 ? 19.479 -2.232 30.015 1.00 17.07 ? 378 ASP A C 1 ATOM 282 O O . ASP A 1 37 ? 19.716 -1.262 30.735 1.00 17.27 ? 378 ASP A O 1 ATOM 283 C CB . ASP A 1 37 ? 17.110 -2.917 29.554 1.00 18.15 ? 378 ASP A CB 1 ATOM 284 C CG . ASP A 1 37 ? 15.901 -2.726 28.630 1.00 21.01 ? 378 ASP A CG 1 ATOM 285 O OD1 . ASP A 1 37 ? 15.793 -1.655 27.970 1.00 21.64 ? 378 ASP A OD1 1 ATOM 286 O OD2 . ASP A 1 37 ? 15.065 -3.659 28.556 1.00 24.41 ? 378 ASP A OD2 1 ATOM 287 N N . ASP A 1 38 ? 20.232 -3.328 29.974 1.00 16.59 ? 379 ASP A N 1 ATOM 288 C CA . ASP A 1 38 ? 21.398 -3.482 30.823 1.00 16.34 ? 379 ASP A CA 1 ATOM 289 C C . ASP A 1 38 ? 22.451 -2.446 30.527 1.00 16.10 ? 379 ASP A C 1 ATOM 290 O O . ASP A 1 38 ? 22.992 -1.843 31.445 1.00 15.98 ? 379 ASP A O 1 ATOM 291 C CB . ASP A 1 38 ? 21.976 -4.889 30.736 1.00 16.54 ? 379 ASP A CB 1 ATOM 292 C CG . ASP A 1 38 ? 21.247 -5.879 31.640 1.00 17.82 ? 379 ASP A CG 1 ATOM 293 O OD1 . ASP A 1 38 ? 20.638 -5.476 32.655 1.00 18.52 ? 379 ASP A OD1 1 ATOM 294 O OD2 . ASP A 1 38 ? 21.281 -7.083 31.337 1.00 20.32 ? 379 ASP A OD2 1 ATOM 295 N N . CYS A 1 39 ? 22.729 -2.210 29.253 1.00 16.17 ? 380 CYS A N 1 ATOM 296 C CA . CYS A 1 39 ? 23.653 -1.141 28.871 1.00 16.31 ? 380 CYS A CA 1 ATOM 297 C C . CYS A 1 39 ? 23.249 0.237 29.432 1.00 16.30 ? 380 CYS A C 1 ATOM 298 O O . CYS A 1 39 ? 24.095 0.987 29.885 1.00 16.32 ? 380 CYS A O 1 ATOM 299 C CB . CYS A 1 39 ? 23.778 -1.066 27.341 1.00 17.11 ? 380 CYS A CB 1 ATOM 300 S SG . CYS A 1 39 ? 25.144 -1.984 26.579 1.00 16.08 ? 380 CYS A SG 1 ATOM 301 N N . ILE A 1 40 ? 21.961 0.575 29.393 1.00 16.70 ? 381 ILE A N 1 ATOM 302 C CA . ILE A 1 40 ? 21.486 1.839 29.974 1.00 16.79 ? 381 ILE A CA 1 ATOM 303 C C . ILE A 1 40 ? 21.838 1.911 31.448 1.00 17.10 ? 381 ILE A C 1 ATOM 304 O O . ILE A 1 40 ? 22.277 2.965 31.924 1.00 18.29 ? 381 ILE A O 1 ATOM 305 C CB . ILE A 1 40 ? 19.982 2.041 29.804 1.00 16.65 ? 381 ILE A CB 1 ATOM 306 C CG1 . ILE A 1 40 ? 19.626 2.108 28.318 1.00 16.85 ? 381 ILE A CG1 1 ATOM 307 C CG2 . ILE A 1 40 ? 19.563 3.334 30.453 1.00 16.88 ? 381 ILE A CG2 1 ATOM 308 C CD1 . ILE A 1 40 ? 18.158 1.985 28.037 1.00 17.22 ? 381 ILE A CD1 1 ATOM 309 N N . VAL A 1 41 ? 21.650 0.795 32.159 1.00 16.65 ? 382 VAL A N 1 ATOM 310 C CA . VAL A 1 41 ? 22.074 0.665 33.552 1.00 16.18 ? 382 VAL A CA 1 ATOM 311 C C . VAL A 1 41 ? 23.588 0.922 33.707 1.00 16.05 ? 382 VAL A C 1 ATOM 312 O O . VAL A 1 41 ? 24.003 1.707 34.565 1.00 16.37 ? 382 VAL A O 1 ATOM 313 C CB . VAL A 1 41 ? 21.614 -0.706 34.174 1.00 16.19 ? 382 VAL A CB 1 ATOM 314 C CG1 . VAL A 1 41 ? 22.342 -1.041 35.475 1.00 14.62 ? 382 VAL A CG1 1 ATOM 315 C CG2 . VAL A 1 41 ? 20.122 -0.695 34.419 1.00 16.56 ? 382 VAL A CG2 1 ATOM 316 N N . LEU A 1 42 ? 24.409 0.294 32.873 1.00 15.74 ? 383 LEU A N 1 ATOM 317 C CA . LEU A 1 42 ? 25.866 0.473 32.974 1.00 15.34 ? 383 LEU A CA 1 ATOM 318 C C . LEU A 1 42 ? 26.271 1.945 32.814 1.00 15.76 ? 383 LEU A C 1 ATOM 319 O O . LEU A 1 42 ? 27.140 2.448 33.539 1.00 15.85 ? 383 LEU A O 1 ATOM 320 C CB . LEU A 1 42 ? 26.625 -0.434 31.991 1.00 14.51 ? 383 LEU A CB 1 ATOM 321 C CG . LEU A 1 42 ? 26.644 -1.957 32.228 1.00 13.30 ? 383 LEU A CG 1 ATOM 322 C CD1 . LEU A 1 42 ? 27.566 -2.672 31.224 1.00 10.97 ? 383 LEU A CD1 1 ATOM 323 C CD2 . LEU A 1 42 ? 27.047 -2.335 33.648 1.00 13.43 ? 383 LEU A CD2 1 ATOM 324 N N . VAL A 1 43 ? 25.621 2.637 31.887 1.00 16.21 ? 384 VAL A N 1 ATOM 325 C CA . VAL A 1 43 ? 25.894 4.052 31.677 1.00 16.63 ? 384 VAL A CA 1 ATOM 326 C C . VAL A 1 43 ? 25.388 4.890 32.864 1.00 16.90 ? 384 VAL A C 1 ATOM 327 O O . VAL A 1 43 ? 26.042 5.850 33.258 1.00 17.08 ? 384 VAL A O 1 ATOM 328 C CB . VAL A 1 43 ? 25.325 4.574 30.326 1.00 16.71 ? 384 VAL A CB 1 ATOM 329 C CG1 . VAL A 1 43 ? 25.676 6.052 30.128 1.00 16.25 ? 384 VAL A CG1 1 ATOM 330 C CG2 . VAL A 1 43 ? 25.847 3.745 29.170 1.00 15.35 ? 384 VAL A CG2 1 ATOM 331 N N . LEU A 1 44 ? 24.250 4.514 33.439 1.00 16.89 ? 385 LEU A N 1 ATOM 332 C CA . LEU A 1 44 ? 23.777 5.150 34.675 1.00 17.56 ? 385 LEU A CA 1 ATOM 333 C C . LEU A 1 44 ? 24.790 5.027 35.814 1.00 17.80 ? 385 LEU A C 1 ATOM 334 O O . LEU A 1 44 ? 25.052 5.978 36.555 1.00 17.87 ? 385 LEU A O 1 ATOM 335 C CB . LEU A 1 44 ? 22.423 4.561 35.109 1.00 17.25 ? 385 LEU A CB 1 ATOM 336 C CG . LEU A 1 44 ? 21.224 4.962 34.238 1.00 17.99 ? 385 LEU A CG 1 ATOM 337 C CD1 . LEU A 1 44 ? 19.930 4.363 34.766 1.00 17.62 ? 385 LEU A CD1 1 ATOM 338 C CD2 . LEU A 1 44 ? 21.109 6.508 34.105 1.00 17.94 ? 385 LEU A CD2 1 ATOM 339 N N . LYS A 1 45 ? 25.361 3.838 35.932 1.00 18.41 ? 386 LYS A N 1 ATOM 340 C CA . LYS A 1 45 ? 26.277 3.534 36.995 1.00 18.88 ? 386 LYS A CA 1 ATOM 341 C C . LYS A 1 45 ? 27.557 4.281 36.770 1.00 19.34 ? 386 LYS A C 1 ATOM 342 O O . LYS A 1 45 ? 28.278 4.563 37.720 1.00 20.03 ? 386 LYS A O 1 ATOM 343 C CB . LYS A 1 45 ? 26.540 2.034 37.057 1.00 19.27 ? 386 LYS A CB 1 ATOM 344 C CG . LYS A 1 45 ? 25.347 1.221 37.563 1.00 19.82 ? 386 LYS A CG 1 ATOM 345 C CD . LYS A 1 45 ? 25.805 0.005 38.359 1.00 21.86 ? 386 LYS A CD 1 ATOM 346 C CE . LYS A 1 45 ? 26.241 -1.130 37.453 1.00 24.53 ? 386 LYS A CE 1 ATOM 347 N NZ . LYS A 1 45 ? 26.597 -2.393 38.191 1.00 26.90 ? 386 LYS A NZ 1 ATOM 348 N N . GLY A 1 46 ? 27.826 4.622 35.510 1.00 19.63 ? 387 GLY A N 1 ATOM 349 C CA . GLY A 1 46 ? 29.029 5.363 35.139 1.00 19.34 ? 387 GLY A CA 1 ATOM 350 C C . GLY A 1 46 ? 30.136 4.451 34.663 1.00 19.65 ? 387 GLY A C 1 ATOM 351 O O . GLY A 1 46 ? 31.226 4.917 34.330 1.00 20.27 ? 387 GLY A O 1 ATOM 352 N N . GLU A 1 47 ? 29.848 3.149 34.632 1.00 19.60 ? 388 GLU A N 1 ATOM 353 C CA . GLU A 1 47 ? 30.794 2.121 34.186 1.00 19.24 ? 388 GLU A CA 1 ATOM 354 C C . GLU A 1 47 ? 30.947 2.065 32.655 1.00 18.57 ? 388 GLU A C 1 ATOM 355 O O . GLU A 1 47 ? 31.914 1.502 32.136 1.00 18.78 ? 388 GLU A O 1 ATOM 356 C CB . GLU A 1 47 ? 30.381 0.753 34.749 1.00 19.44 ? 388 GLU A CB 1 ATOM 357 C CG . GLU A 1 47 ? 30.679 0.583 36.234 1.00 20.45 ? 388 GLU A CG 1 ATOM 358 C CD . GLU A 1 47 ? 29.713 -0.406 36.866 1.00 22.51 ? 388 GLU A CD 1 ATOM 359 O OE1 . GLU A 1 47 ? 29.208 -0.131 37.985 1.00 24.37 ? 388 GLU A OE1 1 ATOM 360 O OE2 . GLU A 1 47 ? 29.446 -1.460 36.251 1.00 22.95 ? 388 GLU A OE2 1 ATOM 361 N N . ALA A 1 48 ? 29.987 2.629 31.936 1.00 17.57 ? 389 ALA A N 1 ATOM 362 C CA . ALA A 1 48 ? 30.107 2.797 30.497 1.00 16.99 ? 389 ALA A CA 1 ATOM 363 C C . ALA A 1 48 ? 29.709 4.230 30.176 1.00 16.58 ? 389 ALA A C 1 ATOM 364 O O . ALA A 1 48 ? 28.947 4.841 30.935 1.00 17.16 ? 389 ALA A O 1 ATOM 365 C CB . ALA A 1 48 ? 29.226 1.809 29.769 1.00 16.79 ? 389 ALA A CB 1 ATOM 366 N N . ASP A 1 49 ? 30.217 4.783 29.078 1.00 15.66 ? 390 ASP A N 1 ATOM 367 C CA . ASP A 1 49 ? 29.957 6.201 28.772 1.00 15.10 ? 390 ASP A CA 1 ATOM 368 C C . ASP A 1 49 ? 28.726 6.422 27.897 1.00 14.86 ? 390 ASP A C 1 ATOM 369 O O . ASP A 1 49 ? 27.850 7.227 28.238 1.00 14.88 ? 390 ASP A O 1 ATOM 370 C CB . ASP A 1 49 ? 31.181 6.875 28.126 1.00 14.68 ? 390 ASP A CB 1 ATOM 371 C CG . ASP A 1 49 ? 32.293 7.103 29.103 1.00 13.96 ? 390 ASP A CG 1 ATOM 372 O OD1 . ASP A 1 49 ? 32.030 7.653 30.181 1.00 15.22 ? 390 ASP A OD1 1 ATOM 373 O OD2 . ASP A 1 49 ? 33.441 6.723 28.818 1.00 14.20 ? 390 ASP A OD2 1 ATOM 374 N N . ALA A 1 50 ? 28.674 5.720 26.770 1.00 14.11 ? 391 ALA A N 1 ATOM 375 C CA . ALA A 1 50 ? 27.714 6.038 25.745 1.00 14.19 ? 391 ALA A CA 1 ATOM 376 C C . ALA A 1 50 ? 27.377 4.813 24.915 1.00 14.34 ? 391 ALA A C 1 ATOM 377 O O . ALA A 1 50 ? 28.041 3.772 25.040 1.00 14.03 ? 391 ALA A O 1 ATOM 378 C CB . ALA A 1 50 ? 28.251 7.163 24.856 1.00 14.13 ? 391 ALA A CB 1 ATOM 379 N N . LEU A 1 51 ? 26.325 4.965 24.101 1.00 14.37 ? 392 LEU A N 1 ATOM 380 C CA . LEU A 1 51 ? 25.865 3.998 23.106 1.00 14.93 ? 392 LEU A CA 1 ATOM 381 C C . LEU A 1 51 ? 24.834 4.651 22.152 1.00 15.45 ? 392 LEU A C 1 ATOM 382 O O . LEU A 1 51 ? 24.150 5.637 22.513 1.00 15.37 ? 392 LEU A O 1 ATOM 383 C CB . LEU A 1 51 ? 25.249 2.756 23.780 1.00 15.03 ? 392 LEU A CB 1 ATOM 384 C CG . LEU A 1 51 ? 23.846 2.811 24.441 1.00 16.05 ? 392 LEU A CG 1 ATOM 385 C CD1 . LEU A 1 51 ? 23.251 1.398 24.709 1.00 14.84 ? 392 LEU A CD1 1 ATOM 386 C CD2 . LEU A 1 51 ? 23.808 3.673 25.733 1.00 16.18 ? 392 LEU A CD2 1 ATOM 387 N N . ASN A 1 52 ? 24.722 4.089 20.942 1.00 15.48 ? 393 ASN A N 1 ATOM 388 C CA . ASN A 1 52 ? 23.713 4.498 19.959 1.00 15.00 ? 393 ASN A CA 1 ATOM 389 C C . ASN A 1 52 ? 22.407 3.720 20.202 1.00 14.62 ? 393 ASN A C 1 ATOM 390 O O . ASN A 1 52 ? 22.444 2.518 20.436 1.00 14.47 ? 393 ASN A O 1 ATOM 391 C CB . ASN A 1 52 ? 24.287 4.309 18.550 1.00 15.13 ? 393 ASN A CB 1 ATOM 392 C CG . ASN A 1 52 ? 23.317 4.679 17.446 1.00 15.55 ? 393 ASN A CG 1 ATOM 393 O OD1 . ASN A 1 52 ? 22.682 5.733 17.472 1.00 16.59 ? 393 ASN A OD1 1 ATOM 394 N ND2 . ASN A 1 52 ? 23.215 3.807 16.445 1.00 16.48 ? 393 ASN A ND2 1 ATOM 395 N N . LEU A 1 53 ? 21.270 4.424 20.167 1.00 14.43 ? 394 LEU A N 1 ATOM 396 C CA . LEU A 1 53 ? 19.975 3.908 20.641 1.00 14.34 ? 394 LEU A CA 1 ATOM 397 C C . LEU A 1 53 ? 18.815 4.241 19.712 1.00 14.79 ? 394 LEU A C 1 ATOM 398 O O . LEU A 1 53 ? 18.678 5.388 19.279 1.00 15.29 ? 394 LEU A O 1 ATOM 399 C CB . LEU A 1 53 ? 19.616 4.513 22.010 1.00 14.04 ? 394 LEU A CB 1 ATOM 400 C CG . LEU A 1 53 ? 20.151 4.017 23.355 1.00 13.19 ? 394 LEU A CG 1 ATOM 401 C CD1 . LEU A 1 53 ? 19.476 4.783 24.453 1.00 12.21 ? 394 LEU A CD1 1 ATOM 402 C CD2 . LEU A 1 53 ? 19.918 2.544 23.567 1.00 11.95 ? 394 LEU A CD2 1 ATOM 403 N N . ASP A 1 54 ? 17.968 3.249 19.433 1.00 14.96 ? 395 ASP A N 1 ATOM 404 C CA . ASP A 1 54 ? 16.705 3.457 18.742 1.00 14.96 ? 395 ASP A CA 1 ATOM 405 C C . ASP A 1 54 ? 15.845 4.407 19.596 1.00 15.82 ? 395 ASP A C 1 ATOM 406 O O . ASP A 1 54 ? 15.976 4.433 20.831 1.00 16.03 ? 395 ASP A O 1 ATOM 407 C CB . ASP A 1 54 ? 16.014 2.100 18.533 1.00 14.56 ? 395 ASP A CB 1 ATOM 408 C CG . ASP A 1 54 ? 14.505 2.212 18.384 1.00 14.03 ? 395 ASP A CG 1 ATOM 409 O OD1 . ASP A 1 54 ? 14.019 2.468 17.266 1.00 15.16 ? 395 ASP A OD1 1 ATOM 410 O OD2 . ASP A 1 54 ? 13.793 2.045 19.388 1.00 11.92 ? 395 ASP A OD2 1 ATOM 411 N N . GLY A 1 55 ? 14.966 5.175 18.947 1.00 16.28 ? 396 GLY A N 1 ATOM 412 C CA . GLY A 1 55 ? 14.108 6.138 19.644 1.00 17.11 ? 396 GLY A CA 1 ATOM 413 C C . GLY A 1 55 ? 13.332 5.579 20.824 1.00 17.78 ? 396 GLY A C 1 ATOM 414 O O . GLY A 1 55 ? 13.069 6.301 21.792 1.00 18.02 ? 396 GLY A O 1 ATOM 415 N N . GLY A 1 56 ? 12.966 4.298 20.744 1.00 18.32 ? 397 GLY A N 1 ATOM 416 C CA . GLY A 1 56 ? 12.176 3.636 21.785 1.00 18.75 ? 397 GLY A CA 1 ATOM 417 C C . GLY A 1 56 ? 12.967 3.505 23.073 1.00 19.61 ? 397 GLY A C 1 ATOM 418 O O . GLY A 1 56 ? 12.440 3.697 24.173 1.00 19.72 ? 397 GLY A O 1 ATOM 419 N N . TYR A 1 57 ? 14.250 3.195 22.955 1.00 19.92 ? 398 TYR A N 1 ATOM 420 C CA . TYR A 1 57 ? 15.036 3.052 24.152 1.00 20.44 ? 398 TYR A CA 1 ATOM 421 C C . TYR A 1 57 ? 15.419 4.414 24.715 1.00 20.86 ? 398 TYR A C 1 ATOM 422 O O . TYR A 1 57 ? 15.645 4.547 25.923 1.00 20.94 ? 398 TYR A O 1 ATOM 423 C CB . TYR A 1 57 ? 16.277 2.237 23.878 1.00 20.68 ? 398 TYR A CB 1 ATOM 424 C CG . TYR A 1 57 ? 16.070 0.765 23.549 1.00 20.54 ? 398 TYR A CG 1 ATOM 425 C CD1 . TYR A 1 57 ? 15.370 -0.084 24.409 1.00 19.59 ? 398 TYR A CD1 1 ATOM 426 C CD2 . TYR A 1 57 ? 16.657 0.211 22.406 1.00 20.70 ? 398 TYR A CD2 1 ATOM 427 C CE1 . TYR A 1 57 ? 15.227 -1.436 24.124 1.00 20.22 ? 398 TYR A CE1 1 ATOM 428 C CE2 . TYR A 1 57 ? 16.524 -1.139 22.107 1.00 21.43 ? 398 TYR A CE2 1 ATOM 429 C CZ . TYR A 1 57 ? 15.813 -1.958 22.968 1.00 21.33 ? 398 TYR A CZ 1 ATOM 430 O OH . TYR A 1 57 ? 15.700 -3.295 22.651 1.00 21.25 ? 398 TYR A OH 1 ATOM 431 N N . ILE A 1 58 ? 15.477 5.419 23.837 1.00 21.18 ? 399 ILE A N 1 ATOM 432 C CA . ILE A 1 58 ? 15.801 6.799 24.215 1.00 21.41 ? 399 ILE A CA 1 ATOM 433 C C . ILE A 1 58 ? 14.789 7.346 25.216 1.00 21.74 ? 399 ILE A C 1 ATOM 434 O O . ILE A 1 58 ? 15.133 8.128 26.076 1.00 22.15 ? 399 ILE A O 1 ATOM 435 C CB . ILE A 1 58 ? 15.906 7.729 22.964 1.00 21.79 ? 399 ILE A CB 1 ATOM 436 C CG1 . ILE A 1 58 ? 17.077 7.302 22.063 1.00 20.87 ? 399 ILE A CG1 1 ATOM 437 C CG2 . ILE A 1 58 ? 16.008 9.219 23.359 1.00 21.55 ? 399 ILE A CG2 1 ATOM 438 C CD1 . ILE A 1 58 ? 17.310 8.214 20.852 1.00 20.98 ? 399 ILE A CD1 1 ATOM 439 N N . TYR A 1 59 ? 13.546 6.906 25.106 1.00 22.61 ? 400 TYR A N 1 ATOM 440 C CA . TYR A 1 59 ? 12.483 7.275 26.045 1.00 23.27 ? 400 TYR A CA 1 ATOM 441 C C . TYR A 1 59 ? 12.689 6.665 27.440 1.00 23.48 ? 400 TYR A C 1 ATOM 442 O O . TYR A 1 59 ? 12.473 7.353 28.437 1.00 24.05 ? 400 TYR A O 1 ATOM 443 C CB . TYR A 1 59 ? 11.126 6.876 25.458 1.00 23.49 ? 400 TYR A CB 1 ATOM 444 C CG . TYR A 1 59 ? 9.911 7.129 26.335 1.00 24.51 ? 400 TYR A CG 1 ATOM 445 C CD1 . TYR A 1 59 ? 9.208 8.340 26.268 1.00 24.89 ? 400 TYR A CD1 1 ATOM 446 C CD2 . TYR A 1 59 ? 9.429 6.139 27.198 1.00 24.94 ? 400 TYR A CD2 1 ATOM 447 C CE1 . TYR A 1 59 ? 8.071 8.565 27.071 1.00 24.74 ? 400 TYR A CE1 1 ATOM 448 C CE2 . TYR A 1 59 ? 8.295 6.354 28.002 1.00 24.46 ? 400 TYR A CE2 1 ATOM 449 C CZ . TYR A 1 59 ? 7.623 7.564 27.928 1.00 24.82 ? 400 TYR A CZ 1 ATOM 450 O OH . TYR A 1 59 ? 6.509 7.770 28.721 1.00 25.62 ? 400 TYR A OH 1 ATOM 451 N N . THR A 1 60 ? 13.076 5.384 27.512 1.00 23.45 ? 401 THR A N 1 ATOM 452 C CA . THR A 1 60 ? 13.507 4.749 28.768 1.00 23.56 ? 401 THR A CA 1 ATOM 453 C C . THR A 1 60 ? 14.683 5.548 29.353 1.00 23.71 ? 401 THR A C 1 ATOM 454 O O . THR A 1 60 ? 14.612 6.087 30.462 1.00 23.38 ? 401 THR A O 1 ATOM 455 C CB . THR A 1 60 ? 13.979 3.291 28.537 1.00 23.56 ? 401 THR A CB 1 ATOM 456 O OG1 . THR A 1 60 ? 12.914 2.510 27.979 1.00 25.26 ? 401 THR A OG1 1 ATOM 457 C CG2 . THR A 1 60 ? 14.459 2.641 29.839 1.00 23.10 ? 401 THR A CG2 1 ATOM 458 N N . ALA A 1 61 ? 15.755 5.628 28.568 1.00 23.70 ? 402 ALA A N 1 ATOM 459 C CA . ALA A 1 61 ? 16.978 6.305 28.966 1.00 23.46 ? 402 ALA A CA 1 ATOM 460 C C . ALA A 1 61 ? 16.701 7.702 29.461 1.00 23.20 ? 402 ALA A C 1 ATOM 461 O O . ALA A 1 61 ? 17.345 8.151 30.398 1.00 23.29 ? 402 ALA A O 1 ATOM 462 C CB . ALA A 1 61 ? 17.958 6.356 27.801 1.00 23.53 ? 402 ALA A CB 1 ATOM 463 N N . GLY A 1 62 ? 15.742 8.376 28.829 1.00 22.86 ? 403 GLY A N 1 ATOM 464 C CA . GLY A 1 62 ? 15.430 9.773 29.139 1.00 22.61 ? 403 GLY A CA 1 ATOM 465 C C . GLY A 1 62 ? 14.826 9.958 30.519 1.00 22.54 ? 403 GLY A C 1 ATOM 466 O O . GLY A 1 62 ? 15.206 10.868 31.258 1.00 22.40 ? 403 GLY A O 1 ATOM 467 N N . LYS A 1 63 ? 13.895 9.075 30.866 1.00 22.45 ? 404 LYS A N 1 ATOM 468 C CA . LYS A 1 63 ? 13.274 9.065 32.175 1.00 22.20 ? 404 LYS A CA 1 ATOM 469 C C . LYS A 1 63 ? 14.313 8.859 33.268 1.00 22.80 ? 404 LYS A C 1 ATOM 470 O O . LYS A 1 63 ? 14.092 9.233 34.428 1.00 22.73 ? 404 LYS A O 1 ATOM 471 C CB . LYS A 1 63 ? 12.240 7.959 32.233 1.00 21.86 ? 404 LYS A CB 1 ATOM 472 C CG . LYS A 1 63 ? 11.102 8.148 31.282 1.00 20.81 ? 404 LYS A CG 1 ATOM 473 C CD . LYS A 1 63 ? 9.804 7.764 31.964 1.00 20.98 ? 404 LYS A CD 1 ATOM 474 C CE . LYS A 1 63 ? 8.622 8.549 31.419 1.00 19.49 ? 404 LYS A CE 1 ATOM 475 N NZ . LYS A 1 63 ? 8.867 10.014 31.531 1.00 20.61 ? 404 LYS A NZ 1 ATOM 476 N N . CYS A 1 64 ? 15.451 8.279 32.873 1.00 23.44 ? 405 CYS A N 1 ATOM 477 C CA . CYS A 1 64 ? 16.553 7.957 33.775 1.00 23.94 ? 405 CYS A CA 1 ATOM 478 C C . CYS A 1 64 ? 17.667 8.990 33.704 1.00 22.52 ? 405 CYS A C 1 ATOM 479 O O . CYS A 1 64 ? 18.717 8.812 34.292 1.00 22.17 ? 405 CYS A O 1 ATOM 480 C CB . CYS A 1 64 ? 17.073 6.534 33.506 1.00 25.13 ? 405 CYS A CB 1 ATOM 481 S SG . CYS A 1 64 ? 16.000 5.174 34.128 1.00 31.49 ? 405 CYS A SG 1 ATOM 482 N N . GLY A 1 65 ? 17.428 10.081 32.987 1.00 21.99 ? 406 GLY A N 1 ATOM 483 C CA . GLY A 1 65 ? 18.334 11.235 32.995 1.00 21.34 ? 406 GLY A CA 1 ATOM 484 C C . GLY A 1 65 ? 19.293 11.346 31.829 1.00 21.09 ? 406 GLY A C 1 ATOM 485 O O . GLY A 1 65 ? 19.835 12.405 31.570 1.00 20.99 ? 406 GLY A O 1 ATOM 486 N N . LEU A 1 66 ? 19.509 10.243 31.126 1.00 21.38 ? 407 LEU A N 1 ATOM 487 C CA . LEU A 1 66 ? 20.385 10.212 29.950 1.00 21.42 ? 407 LEU A CA 1 ATOM 488 C C . LEU A 1 66 ? 19.942 11.164 28.837 1.00 21.63 ? 407 LEU A C 1 ATOM 489 O O . LEU A 1 66 ? 18.742 11.408 28.646 1.00 21.89 ? 407 LEU A O 1 ATOM 490 C CB . LEU A 1 66 ? 20.463 8.788 29.383 1.00 21.28 ? 407 LEU A CB 1 ATOM 491 C CG . LEU A 1 66 ? 21.113 7.703 30.222 1.00 19.63 ? 407 LEU A CG 1 ATOM 492 C CD1 . LEU A 1 66 ? 21.468 6.592 29.285 1.00 19.77 ? 407 LEU A CD1 1 ATOM 493 C CD2 . LEU A 1 66 ? 22.348 8.237 30.887 1.00 18.81 ? 407 LEU A CD2 1 ATOM 494 N N . VAL A 1 67 ? 20.917 11.662 28.085 1.00 21.57 ? 408 VAL A N 1 ATOM 495 C CA . VAL A 1 67 ? 20.663 12.710 27.107 1.00 22.02 ? 408 VAL A CA 1 ATOM 496 C C . VAL A 1 67 ? 21.228 12.384 25.715 1.00 22.05 ? 408 VAL A C 1 ATOM 497 O O . VAL A 1 67 ? 22.347 11.889 25.604 1.00 22.51 ? 408 VAL A O 1 ATOM 498 C CB . VAL A 1 67 ? 21.188 14.084 27.623 1.00 21.93 ? 408 VAL A CB 1 ATOM 499 C CG1 . VAL A 1 67 ? 20.614 14.381 29.014 1.00 22.01 ? 408 VAL A CG1 1 ATOM 500 C CG2 . VAL A 1 67 ? 22.715 14.113 27.674 1.00 21.95 ? 408 VAL A CG2 1 ATOM 501 N N . PRO A 1 68 ? 20.449 12.655 24.653 1.00 21.96 ? 409 PRO A N 1 ATOM 502 C CA . PRO A 1 68 ? 20.918 12.480 23.280 1.00 21.89 ? 409 PRO A CA 1 ATOM 503 C C . PRO A 1 68 ? 22.031 13.455 22.948 1.00 21.54 ? 409 PRO A C 1 ATOM 504 O O . PRO A 1 68 ? 21.910 14.634 23.262 1.00 21.52 ? 409 PRO A O 1 ATOM 505 C CB . PRO A 1 68 ? 19.673 12.805 22.434 1.00 22.10 ? 409 PRO A CB 1 ATOM 506 C CG . PRO A 1 68 ? 18.830 13.686 23.304 1.00 22.37 ? 409 PRO A CG 1 ATOM 507 C CD . PRO A 1 68 ? 19.054 13.134 24.697 1.00 22.40 ? 409 PRO A CD 1 ATOM 508 N N . VAL A 1 69 ? 23.085 12.964 22.299 1.00 21.46 ? 410 VAL A N 1 ATOM 509 C CA . VAL A 1 69 ? 24.293 13.745 22.018 1.00 21.72 ? 410 VAL A CA 1 ATOM 510 C C . VAL A 1 69 ? 24.411 14.081 20.533 1.00 22.37 ? 410 VAL A C 1 ATOM 511 O O . VAL A 1 69 ? 24.513 15.230 20.133 1.00 22.41 ? 410 VAL A O 1 ATOM 512 C CB . VAL A 1 69 ? 25.552 12.967 22.424 1.00 21.08 ? 410 VAL A CB 1 ATOM 513 C CG1 . VAL A 1 69 ? 26.744 13.865 22.375 1.00 21.08 ? 410 VAL A CG1 1 ATOM 514 C CG2 . VAL A 1 69 ? 25.399 12.413 23.815 1.00 21.84 ? 410 VAL A CG2 1 ATOM 515 N N . LEU A 1 70 ? 24.416 13.037 19.726 1.00 23.68 ? 411 LEU A N 1 ATOM 516 C CA . LEU A 1 70 ? 24.567 13.123 18.292 1.00 24.21 ? 411 LEU A CA 1 ATOM 517 C C . LEU A 1 70 ? 23.570 12.136 17.717 1.00 25.13 ? 411 LEU A C 1 ATOM 518 O O . LEU A 1 70 ? 23.091 11.243 18.436 1.00 24.93 ? 411 LEU A O 1 ATOM 519 C CB . LEU A 1 70 ? 25.985 12.711 17.904 1.00 23.87 ? 411 LEU A CB 1 ATOM 520 C CG . LEU A 1 70 ? 27.126 13.568 18.456 1.00 22.83 ? 411 LEU A CG 1 ATOM 521 C CD1 . LEU A 1 70 ? 28.468 12.852 18.266 1.00 21.23 ? 411 LEU A CD1 1 ATOM 522 C CD2 . LEU A 1 70 ? 27.123 14.960 17.807 1.00 21.20 ? 411 LEU A CD2 1 ATOM 523 N N . ALA A 1 71 ? 23.256 12.299 16.432 1.00 26.22 ? 412 ALA A N 1 ATOM 524 C CA . ALA A 1 71 ? 22.242 11.477 15.773 1.00 27.21 ? 412 ALA A CA 1 ATOM 525 C C . ALA A 1 71 ? 22.751 10.935 14.467 1.00 27.94 ? 412 ALA A C 1 ATOM 526 O O . ALA A 1 71 ? 23.593 11.553 13.820 1.00 28.31 ? 412 ALA A O 1 ATOM 527 C CB . ALA A 1 71 ? 20.981 12.271 15.544 1.00 27.04 ? 412 ALA A CB 1 ATOM 528 N N . GLU A 1 72 ? 22.226 9.781 14.076 1.00 28.95 ? 413 GLU A N 1 ATOM 529 C CA . GLU A 1 72 ? 22.543 9.193 12.788 1.00 29.90 ? 413 GLU A CA 1 ATOM 530 C C . GLU A 1 72 ? 21.897 9.981 11.646 1.00 31.63 ? 413 GLU A C 1 ATOM 531 O O . GLU A 1 72 ? 20.774 10.458 11.766 1.00 31.25 ? 413 GLU A O 1 ATOM 532 C CB . GLU A 1 72 ? 22.036 7.764 12.734 1.00 29.40 ? 413 GLU A CB 1 ATOM 533 C CG . GLU A 1 72 ? 22.613 6.808 13.737 1.00 27.03 ? 413 GLU A CG 1 ATOM 534 C CD . GLU A 1 72 ? 22.146 5.408 13.470 1.00 23.83 ? 413 GLU A CD 1 ATOM 535 O OE1 . GLU A 1 72 ? 21.089 5.270 12.827 1.00 23.77 ? 413 GLU A OE1 1 ATOM 536 O OE2 . GLU A 1 72 ? 22.817 4.446 13.884 1.00 21.83 ? 413 GLU A OE2 1 ATOM 537 N N . ASN A 1 73 ? 22.622 10.093 10.539 1.00 34.39 ? 414 ASN A N 1 ATOM 538 C CA . ASN A 1 73 ? 22.125 10.709 9.314 1.00 37.22 ? 414 ASN A CA 1 ATOM 539 C C . ASN A 1 73 ? 22.469 9.857 8.098 1.00 39.12 ? 414 ASN A C 1 ATOM 540 O O . ASN A 1 73 ? 23.616 9.446 7.941 1.00 39.46 ? 414 ASN A O 1 ATOM 541 C CB . ASN A 1 73 ? 22.710 12.121 9.140 1.00 37.26 ? 414 ASN A CB 1 ATOM 542 C CG . ASN A 1 73 ? 21.668 13.236 9.324 1.00 37.88 ? 414 ASN A CG 1 ATOM 543 O OD1 . ASN A 1 73 ? 22.025 14.372 9.646 1.00 39.04 ? 414 ASN A OD1 1 ATOM 544 N ND2 . ASN A 1 73 ? 20.386 12.920 9.110 1.00 38.08 ? 414 ASN A ND2 1 ATOM 545 N N . ARG A 1 74 ? 21.473 9.605 7.246 1.00 41.90 ? 415 ARG A N 1 ATOM 546 C CA . ARG A 1 74 ? 21.625 8.796 6.024 1.00 44.68 ? 415 ARG A CA 1 ATOM 547 C C . ARG A 1 74 ? 21.791 9.703 4.798 1.00 46.58 ? 415 ARG A C 1 ATOM 548 O O . ARG A 1 74 ? 21.709 10.934 4.917 1.00 46.76 ? 415 ARG A O 1 ATOM 549 C CB . ARG A 1 74 ? 20.384 7.905 5.824 1.00 44.50 ? 415 ARG A CB 1 ATOM 550 C CG . ARG A 1 74 ? 19.102 8.703 5.492 1.00 45.07 ? 415 ARG A CG 1 ATOM 551 C CD . ARG A 1 74 ? 17.924 7.823 5.084 1.00 45.24 ? 415 ARG A CD 1 ATOM 552 N NE . ARG A 1 74 ? 16.647 8.553 5.034 1.00 47.24 ? 415 ARG A NE 1 ATOM 553 C CZ . ARG A 1 74 ? 15.958 8.985 6.100 1.00 48.37 ? 415 ARG A CZ 1 ATOM 554 N NH1 . ARG A 1 74 ? 16.422 8.790 7.331 1.00 49.27 ? 415 ARG A NH1 1 ATOM 555 N NH2 . ARG A 1 74 ? 14.798 9.624 5.946 1.00 48.42 ? 415 ARG A NH2 1 ATOM 556 N N . LYS A 1 75 ? 22.008 9.088 3.628 1.00 49.03 ? 416 LYS A N 1 ATOM 557 C CA . LYS A 1 75 ? 21.917 9.774 2.324 1.00 51.20 ? 416 LYS A CA 1 ATOM 558 C C . LYS A 1 75 ? 20.634 10.617 2.192 1.00 52.86 ? 416 LYS A C 1 ATOM 559 O O . LYS A 1 75 ? 19.524 10.103 2.353 1.00 53.28 ? 416 LYS A O 1 ATOM 560 C CB . LYS A 1 75 ? 21.963 8.756 1.183 1.00 50.93 ? 416 LYS A CB 1 ATOM 561 C CG . LYS A 1 75 ? 23.340 8.248 0.841 1.00 51.12 ? 416 LYS A CG 1 ATOM 562 C CD . LYS A 1 75 ? 23.316 7.344 -0.385 1.00 51.25 ? 416 LYS A CD 1 ATOM 563 C CE . LYS A 1 75 ? 22.819 5.937 -0.058 1.00 52.59 ? 416 LYS A CE 1 ATOM 564 N NZ . LYS A 1 75 ? 23.784 5.119 0.763 1.00 52.43 ? 416 LYS A NZ 1 ATOM 565 N N . SER A 1 76 ? 20.789 11.905 1.903 1.00 54.82 ? 417 SER A N 1 ATOM 566 C CA . SER A 1 76 ? 19.642 12.790 1.733 1.00 56.89 ? 417 SER A CA 1 ATOM 567 C C . SER A 1 76 ? 19.732 13.590 0.431 1.00 58.41 ? 417 SER A C 1 ATOM 568 O O . SER A 1 76 ? 20.824 13.827 -0.099 1.00 58.67 ? 417 SER A O 1 ATOM 569 C CB . SER A 1 76 ? 19.518 13.731 2.931 1.00 56.88 ? 417 SER A CB 1 ATOM 570 O OG . SER A 1 76 ? 18.474 14.670 2.741 1.00 57.48 ? 417 SER A OG 1 ATOM 571 N N . SER A 1 77 ? 18.573 14.002 -0.077 1.00 60.18 ? 418 SER A N 1 ATOM 572 C CA . SER A 1 77 ? 18.482 14.751 -1.334 1.00 61.77 ? 418 SER A CA 1 ATOM 573 C C . SER A 1 77 ? 18.027 16.211 -1.132 1.00 62.95 ? 418 SER A C 1 ATOM 574 O O . SER A 1 77 ? 18.293 17.071 -1.982 1.00 63.37 ? 418 SER A O 1 ATOM 575 C CB . SER A 1 77 ? 17.577 14.014 -2.330 1.00 61.76 ? 418 SER A CB 1 ATOM 576 O OG . SER A 1 77 ? 16.498 13.362 -1.669 1.00 61.81 ? 418 SER A OG 1 ATOM 577 N N . LYS A 1 78 ? 17.322 16.477 -0.028 1.00 64.12 ? 419 LYS A N 1 ATOM 578 C CA . LYS A 1 78 ? 17.108 17.852 0.454 1.00 65.25 ? 419 LYS A CA 1 ATOM 579 C C . LYS A 1 78 ? 18.192 18.201 1.487 1.00 65.91 ? 419 LYS A C 1 ATOM 580 O O . LYS A 1 78 ? 18.635 17.324 2.252 1.00 65.99 ? 419 LYS A O 1 ATOM 581 C CB . LYS A 1 78 ? 15.709 18.030 1.060 1.00 65.27 ? 419 LYS A CB 1 ATOM 582 C CG . LYS A 1 78 ? 15.387 19.469 1.479 1.00 65.50 ? 419 LYS A CG 1 ATOM 583 C CD . LYS A 1 78 ? 14.304 19.528 2.553 1.00 65.63 ? 419 LYS A CD 1 ATOM 584 C CE . LYS A 1 78 ? 13.907 20.971 2.864 1.00 65.90 ? 419 LYS A CE 1 ATOM 585 N NZ . LYS A 1 78 ? 15.052 21.789 3.366 1.00 65.73 ? 419 LYS A NZ 1 ATOM 586 N N . HIS A 1 79 ? 18.591 19.480 1.516 1.00 66.43 ? 420 HIS A N 1 ATOM 587 C CA . HIS A 1 79 ? 19.752 19.950 2.297 1.00 66.77 ? 420 HIS A CA 1 ATOM 588 C C . HIS A 1 79 ? 21.045 19.398 1.687 1.00 66.23 ? 420 HIS A C 1 ATOM 589 O O . HIS A 1 79 ? 21.760 18.603 2.317 1.00 66.39 ? 420 HIS A O 1 ATOM 590 C CB . HIS A 1 79 ? 19.654 19.554 3.782 1.00 67.17 ? 420 HIS A CB 1 ATOM 591 C CG . HIS A 1 79 ? 18.662 20.357 4.568 1.00 69.01 ? 420 HIS A CG 1 ATOM 592 N ND1 . HIS A 1 79 ? 17.645 19.773 5.297 1.00 70.31 ? 420 HIS A ND1 1 ATOM 593 C CD2 . HIS A 1 79 ? 18.539 21.696 4.754 1.00 70.72 ? 420 HIS A CD2 1 ATOM 594 C CE1 . HIS A 1 79 ? 16.934 20.719 5.892 1.00 71.28 ? 420 HIS A CE1 1 ATOM 595 N NE2 . HIS A 1 79 ? 17.456 21.894 5.581 1.00 71.34 ? 420 HIS A NE2 1 ATOM 596 N N . SER A 1 80 ? 21.330 19.820 0.454 1.00 65.35 ? 421 SER A N 1 ATOM 597 C CA . SER A 1 80 ? 22.489 19.324 -0.300 1.00 64.31 ? 421 SER A CA 1 ATOM 598 C C . SER A 1 80 ? 23.783 20.060 0.065 1.00 63.46 ? 421 SER A C 1 ATOM 599 O O . SER A 1 80 ? 24.857 19.451 0.162 1.00 63.28 ? 421 SER A O 1 ATOM 600 C CB . SER A 1 80 ? 22.219 19.426 -1.809 1.00 64.44 ? 421 SER A CB 1 ATOM 601 O OG . SER A 1 80 ? 21.630 20.674 -2.136 1.00 64.31 ? 421 SER A OG 1 ATOM 602 N N . SER A 1 81 ? 23.650 21.373 0.264 1.00 62.34 ? 422 SER A N 1 ATOM 603 C CA . SER A 1 81 ? 24.767 22.284 0.526 1.00 60.91 ? 422 SER A CA 1 ATOM 604 C C . SER A 1 81 ? 25.365 22.059 1.922 1.00 59.88 ? 422 SER A C 1 ATOM 605 O O . SER A 1 81 ? 26.587 22.136 2.113 1.00 59.84 ? 422 SER A O 1 ATOM 606 C CB . SER A 1 81 ? 24.291 23.739 0.380 1.00 61.04 ? 422 SER A CB 1 ATOM 607 O OG . SER A 1 81 ? 23.117 23.825 -0.422 1.00 60.78 ? 422 SER A OG 1 ATOM 608 N N . LEU A 1 82 ? 24.487 21.780 2.886 1.00 58.30 ? 423 LEU A N 1 ATOM 609 C CA . LEU A 1 82 ? 24.864 21.548 4.278 1.00 56.48 ? 423 LEU A CA 1 ATOM 610 C C . LEU A 1 82 ? 25.721 20.304 4.482 1.00 55.00 ? 423 LEU A C 1 ATOM 611 O O . LEU A 1 82 ? 25.432 19.234 3.932 1.00 54.79 ? 423 LEU A O 1 ATOM 612 C CB . LEU A 1 82 ? 23.607 21.415 5.130 1.00 56.70 ? 423 LEU A CB 1 ATOM 613 C CG . LEU A 1 82 ? 23.086 22.665 5.820 1.00 56.94 ? 423 LEU A CG 1 ATOM 614 C CD1 . LEU A 1 82 ? 21.622 22.465 6.145 1.00 57.21 ? 423 LEU A CD1 1 ATOM 615 C CD2 . LEU A 1 82 ? 23.891 22.944 7.088 1.00 57.99 ? 423 LEU A CD2 1 ATOM 616 N N . ASP A 1 83 ? 26.762 20.454 5.296 1.00 53.05 ? 424 ASP A N 1 ATOM 617 C CA . ASP A 1 83 ? 27.615 19.336 5.682 1.00 51.11 ? 424 ASP A CA 1 ATOM 618 C C . ASP A 1 83 ? 26.844 18.391 6.584 1.00 49.73 ? 424 ASP A C 1 ATOM 619 O O . ASP A 1 83 ? 26.003 18.833 7.384 1.00 49.44 ? 424 ASP A O 1 ATOM 620 C CB . ASP A 1 83 ? 28.856 19.834 6.411 1.00 51.27 ? 424 ASP A CB 1 ATOM 621 C CG . ASP A 1 83 ? 30.131 19.260 5.842 1.00 51.44 ? 424 ASP A CG 1 ATOM 622 O OD1 . ASP A 1 83 ? 30.319 19.326 4.608 1.00 51.37 ? 424 ASP A OD1 1 ATOM 623 O OD2 . ASP A 1 83 ? 30.951 18.755 6.633 1.00 52.05 ? 424 ASP A OD2 1 ATOM 624 N N . CYS A 1 84 ? 27.137 17.096 6.457 1.00 47.58 ? 425 CYS A N 1 ATOM 625 C CA . CYS A 1 84 ? 26.405 16.050 7.176 1.00 46.26 ? 425 CYS A CA 1 ATOM 626 C C . CYS A 1 84 ? 26.252 16.389 8.652 1.00 45.56 ? 425 CYS A C 1 ATOM 627 O O . CYS A 1 84 ? 25.158 16.275 9.208 1.00 45.53 ? 425 CYS A O 1 ATOM 628 C CB . CYS A 1 84 ? 27.081 14.686 6.997 1.00 45.91 ? 425 CYS A CB 1 ATOM 629 S SG . CYS A 1 84 ? 26.225 13.264 7.782 1.00 45.21 ? 425 CYS A SG 1 ATOM 630 N N . VAL A 1 85 ? 27.340 16.838 9.270 1.00 44.55 ? 426 VAL A N 1 ATOM 631 C CA . VAL A 1 85 ? 27.342 17.120 10.702 1.00 43.89 ? 426 VAL A CA 1 ATOM 632 C C . VAL A 1 85 ? 26.361 18.233 11.101 1.00 43.44 ? 426 VAL A C 1 ATOM 633 O O . VAL A 1 85 ? 25.723 18.157 12.158 1.00 43.07 ? 426 VAL A O 1 ATOM 634 C CB . VAL A 1 85 ? 28.775 17.410 11.239 1.00 43.98 ? 426 VAL A CB 1 ATOM 635 C CG1 . VAL A 1 85 ? 28.817 17.269 12.751 1.00 43.90 ? 426 VAL A CG1 1 ATOM 636 C CG2 . VAL A 1 85 ? 29.788 16.464 10.624 1.00 43.67 ? 426 VAL A CG2 1 ATOM 637 N N . LEU A 1 86 ? 26.236 19.256 10.258 1.00 43.22 ? 427 LEU A N 1 ATOM 638 C CA . LEU A 1 86 ? 25.329 20.385 10.543 1.00 43.16 ? 427 LEU A CA 1 ATOM 639 C C . LEU A 1 86 ? 23.924 20.214 9.944 1.00 42.93 ? 427 LEU A C 1 ATOM 640 O O . LEU A 1 86 ? 23.006 20.982 10.261 1.00 43.16 ? 427 LEU A O 1 ATOM 641 C CB . LEU A 1 86 ? 25.931 21.723 10.078 1.00 43.07 ? 427 LEU A CB 1 ATOM 642 C CG . LEU A 1 86 ? 27.350 22.155 10.459 1.00 42.93 ? 427 LEU A CG 1 ATOM 643 C CD1 . LEU A 1 86 ? 27.588 23.493 9.817 1.00 42.71 ? 427 LEU A CD1 1 ATOM 644 C CD2 . LEU A 1 86 ? 27.589 22.228 11.972 1.00 42.06 ? 427 LEU A CD2 1 ATOM 645 N N . ARG A 1 87 ? 23.775 19.214 9.075 1.00 42.37 ? 428 ARG A N 1 ATOM 646 C CA . ARG A 1 87 ? 22.524 18.935 8.380 1.00 41.69 ? 428 ARG A CA 1 ATOM 647 C C . ARG A 1 87 ? 21.457 18.415 9.338 1.00 40.86 ? 428 ARG A C 1 ATOM 648 O O . ARG A 1 87 ? 21.736 17.548 10.165 1.00 40.47 ? 428 ARG A O 1 ATOM 649 C CB . ARG A 1 87 ? 22.778 17.902 7.280 1.00 42.08 ? 428 ARG A CB 1 ATOM 650 C CG . ARG A 1 87 ? 21.672 17.779 6.233 1.00 43.38 ? 428 ARG A CG 1 ATOM 651 C CD . ARG A 1 87 ? 21.609 16.375 5.636 1.00 46.73 ? 428 ARG A CD 1 ATOM 652 N NE . ARG A 1 87 ? 22.808 16.035 4.861 1.00 49.30 ? 428 ARG A NE 1 ATOM 653 C CZ . ARG A 1 87 ? 23.310 14.803 4.734 1.00 50.45 ? 428 ARG A CZ 1 ATOM 654 N NH1 . ARG A 1 87 ? 22.727 13.769 5.346 1.00 50.97 ? 428 ARG A NH1 1 ATOM 655 N NH2 . ARG A 1 87 ? 24.408 14.608 4.005 1.00 49.96 ? 428 ARG A NH2 1 ATOM 656 N N . PRO A 1 88 ? 20.225 18.945 9.229 1.00 40.40 ? 429 PRO A N 1 ATOM 657 C CA . PRO A 1 88 ? 19.113 18.441 10.046 1.00 39.88 ? 429 PRO A CA 1 ATOM 658 C C . PRO A 1 88 ? 18.764 16.990 9.720 1.00 39.30 ? 429 PRO A C 1 ATOM 659 O O . PRO A 1 88 ? 18.855 16.572 8.552 1.00 39.28 ? 429 PRO A O 1 ATOM 660 C CB . PRO A 1 88 ? 17.941 19.355 9.665 1.00 40.00 ? 429 PRO A CB 1 ATOM 661 C CG . PRO A 1 88 ? 18.563 20.559 9.034 1.00 40.45 ? 429 PRO A CG 1 ATOM 662 C CD . PRO A 1 88 ? 19.800 20.050 8.351 1.00 40.32 ? 429 PRO A CD 1 ATOM 663 N N . THR A 1 89 ? 18.377 16.238 10.754 1.00 38.40 ? 430 THR A N 1 ATOM 664 C CA . THR A 1 89 ? 17.993 14.834 10.604 1.00 37.36 ? 430 THR A CA 1 ATOM 665 C C . THR A 1 89 ? 16.539 14.705 10.143 1.00 36.46 ? 430 THR A C 1 ATOM 666 O O . THR A 1 89 ? 15.651 15.392 10.657 1.00 36.32 ? 430 THR A O 1 ATOM 667 C CB . THR A 1 89 ? 18.176 14.039 11.917 1.00 37.32 ? 430 THR A CB 1 ATOM 668 O OG1 . THR A 1 89 ? 17.286 14.544 12.916 1.00 38.60 ? 430 THR A OG1 1 ATOM 669 C CG2 . THR A 1 89 ? 19.583 14.148 12.428 1.00 37.14 ? 430 THR A CG2 1 ATOM 670 N N . GLU A 1 90 ? 16.300 13.802 9.198 1.00 35.35 ? 431 GLU A N 1 ATOM 671 C CA . GLU A 1 90 ? 14.975 13.659 8.602 1.00 34.47 ? 431 GLU A CA 1 ATOM 672 C C . GLU A 1 90 ? 14.019 12.665 9.273 1.00 33.11 ? 431 GLU A C 1 ATOM 673 O O . GLU A 1 90 ? 12.819 12.673 8.974 1.00 33.31 ? 431 GLU A O 1 ATOM 674 C CB . GLU A 1 90 ? 15.095 13.330 7.114 1.00 35.04 ? 431 GLU A CB 1 ATOM 675 C CG . GLU A 1 90 ? 15.784 14.427 6.301 1.00 36.19 ? 431 GLU A CG 1 ATOM 676 C CD . GLU A 1 90 ? 15.299 14.464 4.880 1.00 36.60 ? 431 GLU A CD 1 ATOM 677 O OE1 . GLU A 1 90 ? 14.197 15.017 4.659 1.00 38.24 ? 431 GLU A OE1 1 ATOM 678 O OE2 . GLU A 1 90 ? 16.015 13.943 4.001 1.00 35.55 ? 431 GLU A OE2 1 ATOM 679 N N . GLY A 1 91 ? 14.527 11.824 10.172 1.00 31.26 ? 432 GLY A N 1 ATOM 680 C CA . GLY A 1 91 ? 13.727 10.715 10.692 1.00 28.68 ? 432 GLY A CA 1 ATOM 681 C C . GLY A 1 91 ? 13.668 9.574 9.685 1.00 27.20 ? 432 GLY A C 1 ATOM 682 O O . GLY A 1 91 ? 14.367 9.590 8.668 1.00 27.57 ? 432 GLY A O 1 ATOM 683 N N . TYR A 1 92 ? 12.840 8.575 9.954 1.00 25.35 ? 433 TYR A N 1 ATOM 684 C CA . TYR A 1 92 ? 12.724 7.435 9.053 1.00 23.50 ? 433 TYR A CA 1 ATOM 685 C C . TYR A 1 92 ? 11.306 6.867 9.011 1.00 23.09 ? 433 TYR A C 1 ATOM 686 O O . TYR A 1 92 ? 10.485 7.146 9.888 1.00 22.53 ? 433 TYR A O 1 ATOM 687 C CB . TYR A 1 92 ? 13.776 6.360 9.368 1.00 23.04 ? 433 TYR A CB 1 ATOM 688 C CG . TYR A 1 92 ? 13.708 5.739 10.750 1.00 21.86 ? 433 TYR A CG 1 ATOM 689 C CD1 . TYR A 1 92 ? 12.854 4.671 11.010 1.00 22.10 ? 433 TYR A CD1 1 ATOM 690 C CD2 . TYR A 1 92 ? 14.528 6.183 11.775 1.00 20.40 ? 433 TYR A CD2 1 ATOM 691 C CE1 . TYR A 1 92 ? 12.792 4.088 12.265 1.00 21.60 ? 433 TYR A CE1 1 ATOM 692 C CE2 . TYR A 1 92 ? 14.471 5.606 13.031 1.00 20.97 ? 433 TYR A CE2 1 ATOM 693 C CZ . TYR A 1 92 ? 13.602 4.557 13.271 1.00 21.00 ? 433 TYR A CZ 1 ATOM 694 O OH . TYR A 1 92 ? 13.530 3.972 14.517 1.00 20.99 ? 433 TYR A OH 1 ATOM 695 N N . LEU A 1 93 ? 11.016 6.074 7.978 1.00 22.56 ? 434 LEU A N 1 ATOM 696 C CA . LEU A 1 93 ? 9.643 5.633 7.746 1.00 21.92 ? 434 LEU A CA 1 ATOM 697 C C . LEU A 1 93 ? 9.378 4.227 8.261 1.00 21.68 ? 434 LEU A C 1 ATOM 698 O O . LEU A 1 93 ? 9.857 3.248 7.681 1.00 22.56 ? 434 LEU A O 1 ATOM 699 C CB . LEU A 1 93 ? 9.275 5.737 6.263 1.00 21.56 ? 434 LEU A CB 1 ATOM 700 C CG . LEU A 1 93 ? 9.362 7.077 5.501 1.00 21.39 ? 434 LEU A CG 1 ATOM 701 C CD1 . LEU A 1 93 ? 8.832 6.888 4.082 1.00 21.18 ? 434 LEU A CD1 1 ATOM 702 C CD2 . LEU A 1 93 ? 8.615 8.230 6.171 1.00 20.02 ? 434 LEU A CD2 1 ATOM 703 N N . ALA A 1 94 ? 8.627 4.137 9.354 1.00 20.65 ? 435 ALA A N 1 ATOM 704 C CA . ALA A 1 94 ? 8.120 2.869 9.853 1.00 20.12 ? 435 ALA A CA 1 ATOM 705 C C . ALA A 1 94 ? 7.124 2.324 8.845 1.00 19.87 ? 435 ALA A C 1 ATOM 706 O O . ALA A 1 94 ? 6.220 3.038 8.433 1.00 20.62 ? 435 ALA A O 1 ATOM 707 C CB . ALA A 1 94 ? 7.431 3.076 11.216 1.00 20.14 ? 435 ALA A CB 1 ATOM 708 N N . VAL A 1 95 ? 7.277 1.071 8.436 1.00 19.46 ? 436 VAL A N 1 ATOM 709 C CA . VAL A 1 95 ? 6.327 0.460 7.512 1.00 19.06 ? 436 VAL A CA 1 ATOM 710 C C . VAL A 1 95 ? 5.924 -0.920 7.980 1.00 19.32 ? 436 VAL A C 1 ATOM 711 O O . VAL A 1 95 ? 6.650 -1.541 8.748 1.00 19.46 ? 436 VAL A O 1 ATOM 712 C CB . VAL A 1 95 ? 6.900 0.334 6.103 1.00 18.81 ? 436 VAL A CB 1 ATOM 713 C CG1 . VAL A 1 95 ? 6.978 1.693 5.446 1.00 19.34 ? 436 VAL A CG1 1 ATOM 714 C CG2 . VAL A 1 95 ? 8.267 -0.339 6.135 1.00 18.83 ? 436 VAL A CG2 1 ATOM 715 N N . ALA A 1 96 ? 4.756 -1.385 7.533 1.00 19.69 ? 437 ALA A N 1 ATOM 716 C CA . ALA A 1 96 ? 4.375 -2.790 7.650 1.00 19.90 ? 437 ALA A CA 1 ATOM 717 C C . ALA A 1 96 ? 4.508 -3.387 6.267 1.00 20.38 ? 437 ALA A C 1 ATOM 718 O O . ALA A 1 96 ? 3.936 -2.855 5.311 1.00 19.72 ? 437 ALA A O 1 ATOM 719 C CB . ALA A 1 96 ? 2.969 -2.922 8.130 1.00 20.20 ? 437 ALA A CB 1 ATOM 720 N N . VAL A 1 97 ? 5.277 -4.479 6.173 1.00 21.11 ? 438 VAL A N 1 ATOM 721 C CA . VAL A 1 97 ? 5.631 -5.110 4.898 1.00 21.41 ? 438 VAL A CA 1 ATOM 722 C C . VAL A 1 97 ? 5.028 -6.500 4.887 1.00 22.38 ? 438 VAL A C 1 ATOM 723 O O . VAL A 1 97 ? 4.932 -7.144 5.935 1.00 21.95 ? 438 VAL A O 1 ATOM 724 C CB . VAL A 1 97 ? 7.178 -5.253 4.692 1.00 21.33 ? 438 VAL A CB 1 ATOM 725 C CG1 . VAL A 1 97 ? 7.517 -5.598 3.229 1.00 21.07 ? 438 VAL A CG1 1 ATOM 726 C CG2 . VAL A 1 97 ? 7.923 -3.990 5.116 1.00 20.63 ? 438 VAL A CG2 1 ATOM 727 N N . VAL A 1 98 ? 4.602 -6.936 3.699 1.00 23.61 ? 439 VAL A N 1 ATOM 728 C CA . VAL A 1 98 ? 4.098 -8.297 3.475 1.00 24.39 ? 439 VAL A CA 1 ATOM 729 C C . VAL A 1 98 ? 4.604 -8.848 2.139 1.00 25.68 ? 439 VAL A C 1 ATOM 730 O O . VAL A 1 98 ? 5.158 -8.115 1.317 1.00 25.79 ? 439 VAL A O 1 ATOM 731 C CB . VAL A 1 98 ? 2.542 -8.387 3.523 1.00 23.94 ? 439 VAL A CB 1 ATOM 732 C CG1 . VAL A 1 98 ? 1.997 -7.699 4.777 1.00 23.59 ? 439 VAL A CG1 1 ATOM 733 C CG2 . VAL A 1 98 ? 1.906 -7.816 2.258 1.00 22.58 ? 439 VAL A CG2 1 ATOM 734 N N . LYS A 1 99 ? 4.405 -10.146 1.932 1.00 26.86 ? 440 LYS A N 1 ATOM 735 C CA . LYS A 1 99 ? 4.761 -10.772 0.686 1.00 27.64 ? 440 LYS A CA 1 ATOM 736 C C . LYS A 1 99 ? 3.595 -10.611 -0.266 1.00 28.05 ? 440 LYS A C 1 ATOM 737 O O . LYS A 1 99 ? 2.460 -10.776 0.141 1.00 28.00 ? 440 LYS A O 1 ATOM 738 C CB . LYS A 1 99 ? 5.064 -12.250 0.920 1.00 28.03 ? 440 LYS A CB 1 ATOM 739 C CG . LYS A 1 99 ? 6.424 -12.687 0.381 1.00 28.31 ? 440 LYS A CG 1 ATOM 740 C CD . LYS A 1 99 ? 7.503 -12.409 1.398 1.00 29.46 ? 440 LYS A CD 1 ATOM 741 C CE . LYS A 1 99 ? 8.670 -13.350 1.205 1.00 31.51 ? 440 LYS A CE 1 ATOM 742 N NZ . LYS A 1 99 ? 8.262 -14.798 1.307 1.00 31.84 ? 440 LYS A NZ 1 ATOM 743 N N . LYS A 1 100 ? 3.887 -10.277 -1.524 1.00 29.05 ? 441 LYS A N 1 ATOM 744 C CA . LYS A 1 100 ? 2.868 -9.994 -2.543 1.00 30.03 ? 441 LYS A CA 1 ATOM 745 C C . LYS A 1 100 ? 1.956 -11.187 -2.783 1.00 30.73 ? 441 LYS A C 1 ATOM 746 O O . LYS A 1 100 ? 0.738 -11.027 -2.950 1.00 30.86 ? 441 LYS A O 1 ATOM 747 C CB . LYS A 1 100 ? 3.545 -9.613 -3.849 1.00 30.12 ? 441 LYS A CB 1 ATOM 748 C CG . LYS A 1 100 ? 2.623 -9.388 -5.016 1.00 30.93 ? 441 LYS A CG 1 ATOM 749 C CD . LYS A 1 100 ? 3.402 -9.619 -6.307 1.00 34.33 ? 441 LYS A CD 1 ATOM 750 C CE . LYS A 1 100 ? 2.723 -8.954 -7.528 1.00 35.78 ? 441 LYS A CE 1 ATOM 751 N NZ . LYS A 1 100 ? 3.582 -9.066 -8.747 1.00 34.92 ? 441 LYS A NZ 1 ATOM 752 N N . ALA A 1 101 ? 2.556 -12.379 -2.794 1.00 31.34 ? 442 ALA A N 1 ATOM 753 C CA . ALA A 1 101 ? 1.821 -13.640 -2.938 1.00 31.88 ? 442 ALA A CA 1 ATOM 754 C C . ALA A 1 101 ? 0.751 -13.793 -1.850 1.00 32.40 ? 442 ALA A C 1 ATOM 755 O O . ALA A 1 101 ? -0.233 -14.511 -2.023 1.00 32.61 ? 442 ALA A O 1 ATOM 756 C CB . ALA A 1 101 ? 2.786 -14.814 -2.915 1.00 31.48 ? 442 ALA A CB 1 ATOM 757 N N . ASN A 1 102 ? 0.948 -13.101 -0.735 1.00 32.99 ? 443 ASN A N 1 ATOM 758 C CA . ASN A 1 102 ? 0.004 -13.131 0.353 1.00 33.87 ? 443 ASN A CA 1 ATOM 759 C C . ASN A 1 102 ? -1.103 -12.132 0.055 1.00 34.66 ? 443 ASN A C 1 ATOM 760 O O . ASN A 1 102 ? -1.282 -11.138 0.772 1.00 34.73 ? 443 ASN A O 1 ATOM 761 C CB . ASN A 1 102 ? 0.716 -12.808 1.668 1.00 33.95 ? 443 ASN A CB 1 ATOM 762 C CG . ASN A 1 102 ? 0.238 -13.661 2.817 1.00 34.11 ? 443 ASN A CG 1 ATOM 763 O OD1 . ASN A 1 102 ? -0.907 -13.556 3.257 1.00 34.71 ? 443 ASN A OD1 1 ATOM 764 N ND2 . ASN A 1 102 ? 1.126 -14.508 3.323 1.00 35.54 ? 443 ASN A ND2 1 ATOM 765 N N . GLU A 1 103 ? -1.835 -12.410 -1.025 1.00 35.67 ? 444 GLU A N 1 ATOM 766 C CA . GLU A 1 103 ? -2.957 -11.580 -1.475 1.00 36.54 ? 444 GLU A CA 1 ATOM 767 C C . GLU A 1 103 ? -4.094 -11.623 -0.468 1.00 37.20 ? 444 GLU A C 1 ATOM 768 O O . GLU A 1 103 ? -4.313 -12.647 0.190 1.00 37.59 ? 444 GLU A O 1 ATOM 769 C CB . GLU A 1 103 ? -3.497 -12.076 -2.814 1.00 36.53 ? 444 GLU A CB 1 ATOM 770 C CG . GLU A 1 103 ? -2.624 -12.680 -3.904 1.00 37.16 ? 444 GLU A CG 1 ATOM 771 C CD . GLU A 1 103 ? -2.860 -13.440 -5.192 1.00 38.57 ? 444 GLU A CD 1 ATOM 772 O OE1 . GLU A 1 103 ? -1.878 -13.961 -5.759 1.00 40.26 ? 444 GLU A OE1 1 ATOM 773 O OE2 . GLU A 1 103 ? -4.023 -13.527 -5.647 1.00 39.27 ? 444 GLU A OE2 1 ATOM 774 N N . GLY A 1 104 ? -4.836 -10.525 -0.360 1.00 37.74 ? 445 GLY A N 1 ATOM 775 C CA . GLY A 1 104 ? -5.932 -10.453 0.601 1.00 38.09 ? 445 GLY A CA 1 ATOM 776 C C . GLY A 1 104 ? -5.492 -9.806 1.904 1.00 38.55 ? 445 GLY A C 1 ATOM 777 O O . GLY A 1 104 ? -6.271 -9.070 2.529 1.00 39.27 ? 445 GLY A O 1 ATOM 778 N N . LEU A 1 105 ? -4.246 -10.058 2.312 1.00 38.07 ? 446 LEU A N 1 ATOM 779 C CA . LEU A 1 105 ? -3.721 -9.515 3.561 1.00 37.41 ? 446 LEU A CA 1 ATOM 780 C C . LEU A 1 105 ? -3.615 -7.977 3.547 1.00 37.03 ? 446 LEU A C 1 ATOM 781 O O . LEU A 1 105 ? -2.786 -7.397 2.839 1.00 36.80 ? 446 LEU A O 1 ATOM 782 C CB . LEU A 1 105 ? -2.375 -10.175 3.914 1.00 37.46 ? 446 LEU A CB 1 ATOM 783 C CG . LEU A 1 105 ? -1.729 -9.838 5.269 1.00 37.09 ? 446 LEU A CG 1 ATOM 784 C CD1 . LEU A 1 105 ? -2.652 -10.170 6.431 1.00 35.52 ? 446 LEU A CD1 1 ATOM 785 C CD2 . LEU A 1 105 ? -0.395 -10.555 5.433 1.00 37.13 ? 446 LEU A CD2 1 ATOM 786 N N . THR A 1 106 ? -4.475 -7.336 4.338 1.00 36.46 ? 447 THR A N 1 ATOM 787 C CA . THR A 1 106 ? -4.508 -5.882 4.479 1.00 36.26 ? 447 THR A CA 1 ATOM 788 C C . THR A 1 106 ? -4.371 -5.538 5.963 1.00 35.90 ? 447 THR A C 1 ATOM 789 O O . THR A 1 106 ? -4.650 -6.373 6.817 1.00 35.67 ? 447 THR A O 1 ATOM 790 C CB . THR A 1 106 ? -5.810 -5.196 3.960 1.00 36.25 ? 447 THR A CB 1 ATOM 791 O OG1 . THR A 1 106 ? -6.880 -5.371 4.909 1.00 36.79 ? 447 THR A OG1 1 ATOM 792 C CG2 . THR A 1 106 ? -6.223 -5.745 2.615 1.00 36.15 ? 447 THR A CG2 1 ATOM 793 N N . TRP A 1 107 ? -3.985 -4.297 6.258 1.00 35.67 ? 448 TRP A N 1 ATOM 794 C CA . TRP A 1 107 ? -3.977 -3.783 7.625 1.00 35.70 ? 448 TRP A CA 1 ATOM 795 C C . TRP A 1 107 ? -5.221 -4.146 8.431 1.00 35.64 ? 448 TRP A C 1 ATOM 796 O O . TRP A 1 107 ? -5.194 -4.149 9.653 1.00 35.73 ? 448 TRP A O 1 ATOM 797 C CB . TRP A 1 107 ? -3.858 -2.267 7.626 1.00 35.99 ? 448 TRP A CB 1 ATOM 798 C CG . TRP A 1 107 ? -3.798 -1.740 9.011 1.00 36.18 ? 448 TRP A CG 1 ATOM 799 C CD1 . TRP A 1 107 ? -4.824 -1.214 9.747 1.00 35.87 ? 448 TRP A CD1 1 ATOM 800 C CD2 . TRP A 1 107 ? -2.656 -1.739 9.857 1.00 36.67 ? 448 TRP A CD2 1 ATOM 801 N NE1 . TRP A 1 107 ? -4.380 -0.864 10.995 1.00 34.68 ? 448 TRP A NE1 1 ATOM 802 C CE2 . TRP A 1 107 ? -3.049 -1.170 11.089 1.00 35.95 ? 448 TRP A CE2 1 ATOM 803 C CE3 . TRP A 1 107 ? -1.326 -2.149 9.689 1.00 36.65 ? 448 TRP A CE3 1 ATOM 804 C CZ2 . TRP A 1 107 ? -2.163 -1.006 12.153 1.00 36.35 ? 448 TRP A CZ2 1 ATOM 805 C CZ3 . TRP A 1 107 ? -0.444 -1.983 10.747 1.00 36.36 ? 448 TRP A CZ3 1 ATOM 806 C CH2 . TRP A 1 107 ? -0.868 -1.416 11.966 1.00 36.22 ? 448 TRP A CH2 1 ATOM 807 N N . ASN A 1 108 ? -6.317 -4.436 7.747 1.00 35.59 ? 449 ASN A N 1 ATOM 808 C CA . ASN A 1 108 ? -7.563 -4.757 8.425 1.00 35.37 ? 449 ASN A CA 1 ATOM 809 C C . ASN A 1 108 ? -7.813 -6.241 8.636 1.00 34.64 ? 449 ASN A C 1 ATOM 810 O O . ASN A 1 108 ? -8.756 -6.621 9.334 1.00 34.44 ? 449 ASN A O 1 ATOM 811 C CB . ASN A 1 108 ? -8.728 -4.110 7.689 1.00 35.94 ? 449 ASN A CB 1 ATOM 812 C CG . ASN A 1 108 ? -8.784 -2.626 7.920 1.00 37.33 ? 449 ASN A CG 1 ATOM 813 O OD1 . ASN A 1 108 ? -9.039 -2.168 9.043 1.00 39.34 ? 449 ASN A OD1 1 ATOM 814 N ND2 . ASN A 1 108 ? -8.523 -1.856 6.873 1.00 37.99 ? 449 ASN A ND2 1 ATOM 815 N N . SER A 1 109 ? -6.971 -7.071 8.024 1.00 33.90 ? 450 SER A N 1 ATOM 816 C CA . SER A 1 109 ? -6.995 -8.506 8.261 1.00 32.99 ? 450 SER A CA 1 ATOM 817 C C . SER A 1 109 ? -5.687 -8.995 8.903 1.00 32.74 ? 450 SER A C 1 ATOM 818 O O . SER A 1 109 ? -5.207 -10.093 8.601 1.00 33.22 ? 450 SER A O 1 ATOM 819 C CB . SER A 1 109 ? -7.317 -9.265 6.968 1.00 32.73 ? 450 SER A CB 1 ATOM 820 O OG . SER A 1 109 ? -6.399 -8.949 5.945 1.00 32.32 ? 450 SER A OG 1 ATOM 821 N N . LEU A 1 110 ? -5.113 -8.193 9.799 1.00 32.06 ? 451 LEU A N 1 ATOM 822 C CA . LEU A 1 110 ? -3.926 -8.629 10.537 1.00 31.36 ? 451 LEU A CA 1 ATOM 823 C C . LEU A 1 110 ? -4.228 -9.557 11.720 1.00 31.26 ? 451 LEU A C 1 ATOM 824 O O . LEU A 1 110 ? -3.405 -10.409 12.052 1.00 31.46 ? 451 LEU A O 1 ATOM 825 C CB . LEU A 1 110 ? -3.070 -7.447 10.990 1.00 31.04 ? 451 LEU A CB 1 ATOM 826 C CG . LEU A 1 110 ? -2.090 -6.867 9.968 1.00 30.89 ? 451 LEU A CG 1 ATOM 827 C CD1 . LEU A 1 110 ? -1.186 -5.846 10.642 1.00 30.99 ? 451 LEU A CD1 1 ATOM 828 C CD2 . LEU A 1 110 ? -1.250 -7.935 9.282 1.00 31.16 ? 451 LEU A CD2 1 ATOM 829 N N . LYS A 1 111 ? -5.395 -9.418 12.343 1.00 31.02 ? 452 LYS A N 1 ATOM 830 C CA . LYS A 1 111 ? -5.723 -10.236 13.520 1.00 31.11 ? 452 LYS A CA 1 ATOM 831 C C . LYS A 1 111 ? -5.560 -11.739 13.277 1.00 30.59 ? 452 LYS A C 1 ATOM 832 O O . LYS A 1 111 ? -5.996 -12.261 12.255 1.00 31.01 ? 452 LYS A O 1 ATOM 833 C CB . LYS A 1 111 ? -7.125 -9.933 14.053 1.00 31.36 ? 452 LYS A CB 1 ATOM 834 C CG . LYS A 1 111 ? -7.223 -10.153 15.549 1.00 32.51 ? 452 LYS A CG 1 ATOM 835 C CD . LYS A 1 111 ? -8.638 -10.424 15.968 1.00 36.44 ? 452 LYS A CD 1 ATOM 836 C CE . LYS A 1 111 ? -8.675 -10.954 17.392 1.00 38.85 ? 452 LYS A CE 1 ATOM 837 N NZ . LYS A 1 111 ? -8.167 -12.366 17.531 1.00 39.75 ? 452 LYS A NZ 1 ATOM 838 N N . ASP A 1 112 ? -4.921 -12.415 14.228 1.00 29.82 ? 453 ASP A N 1 ATOM 839 C CA . ASP A 1 112 ? -4.566 -13.841 14.133 1.00 29.14 ? 453 ASP A CA 1 ATOM 840 C C . ASP A 1 112 ? -3.506 -14.180 13.098 1.00 28.28 ? 453 ASP A C 1 ATOM 841 O O . ASP A 1 112 ? -3.205 -15.349 12.890 1.00 28.44 ? 453 ASP A O 1 ATOM 842 C CB . ASP A 1 112 ? -5.794 -14.732 13.951 1.00 29.26 ? 453 ASP A CB 1 ATOM 843 C CG . ASP A 1 112 ? -6.771 -14.606 15.095 1.00 30.38 ? 453 ASP A CG 1 ATOM 844 O OD1 . ASP A 1 112 ? -7.875 -15.171 14.976 1.00 32.12 ? 453 ASP A OD1 1 ATOM 845 O OD2 . ASP A 1 112 ? -6.454 -13.936 16.109 1.00 31.26 ? 453 ASP A OD2 1 ATOM 846 N N . LYS A 1 113 ? -2.912 -13.167 12.475 1.00 27.36 ? 454 LYS A N 1 ATOM 847 C CA . LYS A 1 113 ? -1.785 -13.412 11.569 1.00 26.36 ? 454 LYS A CA 1 ATOM 848 C C . LYS A 1 113 ? -0.479 -13.645 12.327 1.00 25.25 ? 454 LYS A C 1 ATOM 849 O O . LYS A 1 113 ? -0.444 -13.624 13.556 1.00 24.99 ? 454 LYS A O 1 ATOM 850 C CB . LYS A 1 113 ? -1.649 -12.291 10.527 1.00 26.55 ? 454 LYS A CB 1 ATOM 851 C CG . LYS A 1 113 ? -2.783 -12.250 9.505 1.00 27.25 ? 454 LYS A CG 1 ATOM 852 C CD . LYS A 1 113 ? -2.781 -13.495 8.623 1.00 29.67 ? 454 LYS A CD 1 ATOM 853 C CE . LYS A 1 113 ? -4.175 -13.793 8.072 1.00 31.69 ? 454 LYS A CE 1 ATOM 854 N NZ . LYS A 1 113 ? -5.199 -14.037 9.148 1.00 32.27 ? 454 LYS A NZ 1 ATOM 855 N N . LYS A 1 114 ? 0.586 -13.895 11.585 1.00 24.45 ? 455 LYS A N 1 ATOM 856 C CA . LYS A 1 114 ? 1.897 -14.095 12.184 1.00 24.12 ? 455 LYS A CA 1 ATOM 857 C C . LYS A 1 114 ? 2.772 -12.863 11.971 1.00 23.46 ? 455 LYS A C 1 ATOM 858 O O . LYS A 1 114 ? 2.806 -12.303 10.877 1.00 23.61 ? 455 LYS A O 1 ATOM 859 C CB . LYS A 1 114 ? 2.550 -15.360 11.623 1.00 24.27 ? 455 LYS A CB 1 ATOM 860 C CG . LYS A 1 114 ? 1.790 -16.639 11.984 1.00 24.70 ? 455 LYS A CG 1 ATOM 861 C CD . LYS A 1 114 ? 2.530 -17.892 11.545 1.00 25.67 ? 455 LYS A CD 1 ATOM 862 C CE . LYS A 1 114 ? 2.173 -18.280 10.124 1.00 26.46 ? 455 LYS A CE 1 ATOM 863 N NZ . LYS A 1 114 ? 3.165 -19.245 9.543 1.00 28.80 ? 455 LYS A NZ 1 ATOM 864 N N . SER A 1 115 ? 3.469 -12.428 13.017 1.00 22.69 ? 456 SER A N 1 ATOM 865 C CA . SER A 1 115 ? 4.194 -11.151 12.943 1.00 21.46 ? 456 SER A CA 1 ATOM 866 C C . SER A 1 115 ? 5.649 -11.229 13.310 1.00 20.61 ? 456 SER A C 1 ATOM 867 O O . SER A 1 115 ? 6.076 -12.090 14.094 1.00 20.16 ? 456 SER A O 1 ATOM 868 C CB . SER A 1 115 ? 3.518 -10.068 13.788 1.00 21.80 ? 456 SER A CB 1 ATOM 869 O OG . SER A 1 115 ? 3.291 -10.513 15.111 1.00 21.52 ? 456 SER A OG 1 ATOM 870 N N . CYS A 1 116 ? 6.394 -10.301 12.720 1.00 19.80 ? 457 CYS A N 1 ATOM 871 C CA . CYS A 1 116 ? 7.820 -10.170 12.925 1.00 19.18 ? 457 CYS A CA 1 ATOM 872 C C . CYS A 1 116 ? 8.154 -8.747 13.363 1.00 18.73 ? 457 CYS A C 1 ATOM 873 O O . CYS A 1 116 ? 7.958 -7.787 12.625 1.00 18.74 ? 457 CYS A O 1 ATOM 874 C CB . CYS A 1 116 ? 8.560 -10.519 11.641 1.00 19.05 ? 457 CYS A CB 1 ATOM 875 S SG . CYS A 1 116 ? 8.198 -12.156 11.021 1.00 19.38 ? 457 CYS A SG 1 ATOM 876 N N . HIS A 1 117 ? 8.658 -8.624 14.578 1.00 18.41 ? 458 HIS A N 1 ATOM 877 C CA . HIS A 1 117 ? 9.004 -7.330 15.146 1.00 17.98 ? 458 HIS A CA 1 ATOM 878 C C . HIS A 1 117 ? 10.506 -7.275 15.389 1.00 17.33 ? 458 HIS A C 1 ATOM 879 O O . HIS A 1 117 ? 11.137 -8.309 15.572 1.00 16.70 ? 458 HIS A O 1 ATOM 880 C CB . HIS A 1 117 ? 8.237 -7.136 16.448 1.00 18.02 ? 458 HIS A CB 1 ATOM 881 C CG . HIS A 1 117 ? 6.774 -7.418 16.327 1.00 18.26 ? 458 HIS A CG 1 ATOM 882 N ND1 . HIS A 1 117 ? 5.812 -6.445 16.493 1.00 18.49 ? 458 HIS A ND1 1 ATOM 883 C CD2 . HIS A 1 117 ? 6.107 -8.562 16.044 1.00 18.38 ? 458 HIS A CD2 1 ATOM 884 C CE1 . HIS A 1 117 ? 4.615 -6.981 16.331 1.00 17.93 ? 458 HIS A CE1 1 ATOM 885 N NE2 . HIS A 1 117 ? 4.767 -8.263 16.053 1.00 18.63 ? 458 HIS A NE2 1 ATOM 886 N N . THR A 1 118 ? 11.067 -6.069 15.377 1.00 17.01 ? 459 THR A N 1 ATOM 887 C CA . THR A 1 118 ? 12.505 -5.868 15.579 1.00 17.22 ? 459 THR A CA 1 ATOM 888 C C . THR A 1 118 ? 12.902 -6.256 17.010 1.00 17.00 ? 459 THR A C 1 ATOM 889 O O . THR A 1 118 ? 13.892 -6.958 17.229 1.00 16.27 ? 459 THR A O 1 ATOM 890 C CB . THR A 1 118 ? 12.893 -4.398 15.342 1.00 17.17 ? 459 THR A CB 1 ATOM 891 O OG1 . THR A 1 118 ? 12.026 -3.562 16.120 1.00 18.46 ? 459 THR A OG1 1 ATOM 892 C CG2 . THR A 1 118 ? 12.746 -4.024 13.888 1.00 17.36 ? 459 THR A CG2 1 ATOM 893 N N . ALA A 1 119 ? 12.106 -5.773 17.969 1.00 16.97 ? 460 ALA A N 1 ATOM 894 C CA . ALA A 1 119 ? 12.206 -6.120 19.394 1.00 16.85 ? 460 ALA A CA 1 ATOM 895 C C . ALA A 1 119 ? 11.151 -5.323 20.140 1.00 16.64 ? 460 ALA A C 1 ATOM 896 O O . ALA A 1 119 ? 10.708 -4.279 19.649 1.00 17.73 ? 460 ALA A O 1 ATOM 897 C CB . ALA A 1 119 ? 13.579 -5.790 19.936 1.00 16.88 ? 460 ALA A CB 1 ATOM 898 N N . VAL A 1 120 ? 10.741 -5.803 21.305 1.00 15.76 ? 461 VAL A N 1 ATOM 899 C CA . VAL A 1 120 ? 9.921 -5.013 22.224 1.00 15.02 ? 461 VAL A CA 1 ATOM 900 C C . VAL A 1 120 ? 10.560 -3.636 22.510 1.00 14.64 ? 461 VAL A C 1 ATOM 901 O O . VAL A 1 120 ? 11.791 -3.508 22.510 1.00 15.06 ? 461 VAL A O 1 ATOM 902 C CB . VAL A 1 120 ? 9.707 -5.811 23.524 1.00 15.20 ? 461 VAL A CB 1 ATOM 903 C CG1 . VAL A 1 120 ? 8.956 -5.004 24.555 1.00 15.38 ? 461 VAL A CG1 1 ATOM 904 C CG2 . VAL A 1 120 ? 8.969 -7.128 23.211 1.00 14.53 ? 461 VAL A CG2 1 ATOM 905 N N . ASP A 1 121 ? 9.720 -2.615 22.712 1.00 14.12 ? 462 ASP A N 1 ATOM 906 C CA . ASP A 1 121 ? 10.117 -1.215 23.056 1.00 13.48 ? 462 ASP A CA 1 ATOM 907 C C . ASP A 1 121 ? 10.849 -0.377 22.009 1.00 13.58 ? 462 ASP A C 1 ATOM 908 O O . ASP A 1 121 ? 11.205 0.784 22.283 1.00 14.29 ? 462 ASP A O 1 ATOM 909 C CB . ASP A 1 121 ? 10.878 -1.134 24.371 1.00 12.95 ? 462 ASP A CB 1 ATOM 910 C CG . ASP A 1 121 ? 10.059 -1.584 25.519 1.00 13.98 ? 462 ASP A CG 1 ATOM 911 O OD1 . ASP A 1 121 ? 8.885 -1.928 25.287 1.00 14.22 ? 462 ASP A OD1 1 ATOM 912 O OD2 . ASP A 1 121 ? 10.580 -1.605 26.657 1.00 16.22 ? 462 ASP A OD2 1 ATOM 913 N N . ARG A 1 122 ? 11.084 -0.930 20.825 1.00 13.00 ? 463 ARG A N 1 ATOM 914 C CA . ARG A 1 122 ? 11.662 -0.140 19.744 1.00 12.86 ? 463 ARG A CA 1 ATOM 915 C C . ARG A 1 122 ? 10.573 0.595 18.939 1.00 12.56 ? 463 ARG A C 1 ATOM 916 O O . ARG A 1 122 ? 9.399 0.286 19.063 1.00 12.06 ? 463 ARG A O 1 ATOM 917 C CB . ARG A 1 122 ? 12.544 -1.029 18.854 1.00 13.21 ? 463 ARG A CB 1 ATOM 918 C CG . ARG A 1 122 ? 13.769 -1.551 19.586 1.00 13.50 ? 463 ARG A CG 1 ATOM 919 C CD . ARG A 1 122 ? 14.576 -2.476 18.731 1.00 14.62 ? 463 ARG A CD 1 ATOM 920 N NE . ARG A 1 122 ? 15.165 -1.784 17.589 1.00 17.09 ? 463 ARG A NE 1 ATOM 921 C CZ . ARG A 1 122 ? 16.203 -2.244 16.897 1.00 18.39 ? 463 ARG A CZ 1 ATOM 922 N NH1 . ARG A 1 122 ? 16.777 -3.395 17.251 1.00 19.99 ? 463 ARG A NH1 1 ATOM 923 N NH2 . ARG A 1 122 ? 16.678 -1.553 15.864 1.00 17.73 ? 463 ARG A NH2 1 ATOM 924 N N . THR A 1 123 ? 10.968 1.559 18.119 1.00 12.77 ? 464 THR A N 1 ATOM 925 C CA . THR A 1 123 ? 10.016 2.387 17.384 1.00 13.60 ? 464 THR A CA 1 ATOM 926 C C . THR A 1 123 ? 9.184 1.639 16.314 1.00 14.54 ? 464 THR A C 1 ATOM 927 O O . THR A 1 123 ? 7.954 1.490 16.456 1.00 14.46 ? 464 THR A O 1 ATOM 928 C CB . THR A 1 123 ? 10.736 3.606 16.749 1.00 13.58 ? 464 THR A CB 1 ATOM 929 O OG1 . THR A 1 123 ? 11.443 4.314 17.775 1.00 13.36 ? 464 THR A OG1 1 ATOM 930 C CG2 . THR A 1 123 ? 9.744 4.550 16.031 1.00 12.02 ? 464 THR A CG2 1 ATOM 931 N N . ALA A 1 124 ? 9.857 1.193 15.246 1.00 15.33 ? 465 ALA A N 1 ATOM 932 C CA . ALA A 1 124 ? 9.148 0.710 14.042 1.00 15.90 ? 465 ALA A CA 1 ATOM 933 C C . ALA A 1 124 ? 8.754 -0.724 14.342 1.00 16.52 ? 465 ALA A C 1 ATOM 934 O O . ALA A 1 124 ? 7.762 -1.225 13.806 1.00 17.43 ? 465 ALA A O 1 ATOM 935 C CB . ALA A 1 124 ? 10.019 0.772 12.799 1.00 15.32 ? 465 ALA A CB 1 ATOM 936 N N . GLY A 1 125 ? 9.508 -1.381 15.210 1.00 16.62 ? 466 GLY A N 1 ATOM 937 C CA . GLY A 1 125 ? 9.265 -2.782 15.473 1.00 17.56 ? 466 GLY A CA 1 ATOM 938 C C . GLY A 1 125 ? 8.090 -3.044 16.385 1.00 18.39 ? 466 GLY A C 1 ATOM 939 O O . GLY A 1 125 ? 7.368 -4.025 16.202 1.00 18.88 ? 466 GLY A O 1 ATOM 940 N N . TRP A 1 126 ? 7.888 -2.164 17.365 1.00 19.13 ? 467 TRP A N 1 ATOM 941 C CA . TRP A 1 126 ? 6.924 -2.422 18.444 1.00 19.15 ? 467 TRP A CA 1 ATOM 942 C C . TRP A 1 126 ? 5.955 -1.262 18.776 1.00 19.59 ? 467 TRP A C 1 ATOM 943 O O . TRP A 1 126 ? 4.735 -1.429 18.658 1.00 19.44 ? 467 TRP A O 1 ATOM 944 C CB . TRP A 1 126 ? 7.655 -2.915 19.700 1.00 18.33 ? 467 TRP A CB 1 ATOM 945 C CG . TRP A 1 126 ? 6.716 -3.315 20.774 1.00 17.43 ? 467 TRP A CG 1 ATOM 946 C CD1 . TRP A 1 126 ? 6.235 -2.528 21.741 1.00 16.49 ? 467 TRP A CD1 1 ATOM 947 C CD2 . TRP A 1 126 ? 6.128 -4.617 20.971 1.00 18.54 ? 467 TRP A CD2 1 ATOM 948 N NE1 . TRP A 1 126 ? 5.388 -3.238 22.551 1.00 18.30 ? 467 TRP A NE1 1 ATOM 949 C CE2 . TRP A 1 126 ? 5.301 -4.525 22.102 1.00 17.75 ? 467 TRP A CE2 1 ATOM 950 C CE3 . TRP A 1 126 ? 6.242 -5.860 20.311 1.00 18.28 ? 467 TRP A CE3 1 ATOM 951 C CZ2 . TRP A 1 126 ? 4.564 -5.615 22.592 1.00 18.02 ? 467 TRP A CZ2 1 ATOM 952 C CZ3 . TRP A 1 126 ? 5.507 -6.945 20.798 1.00 17.80 ? 467 TRP A CZ3 1 ATOM 953 C CH2 . TRP A 1 126 ? 4.676 -6.811 21.925 1.00 17.25 ? 467 TRP A CH2 1 ATOM 954 N N . ASN A 1 127 ? 6.501 -0.105 19.171 1.00 20.05 ? 468 ASN A N 1 ATOM 955 C CA . ASN A 1 127 ? 5.720 1.016 19.705 1.00 20.70 ? 468 ASN A CA 1 ATOM 956 C C . ASN A 1 127 ? 4.720 1.678 18.754 1.00 21.28 ? 468 ASN A C 1 ATOM 957 O O . ASN A 1 127 ? 3.607 2.037 19.166 1.00 21.77 ? 468 ASN A O 1 ATOM 958 C CB . ASN A 1 127 ? 6.639 2.074 20.308 1.00 21.21 ? 468 ASN A CB 1 ATOM 959 C CG . ASN A 1 127 ? 7.273 1.624 21.628 1.00 22.78 ? 468 ASN A CG 1 ATOM 960 O OD1 . ASN A 1 127 ? 6.741 0.741 22.330 1.00 23.76 ? 468 ASN A OD1 1 ATOM 961 N ND2 . ASN A 1 127 ? 8.416 2.237 21.976 1.00 22.71 ? 468 ASN A ND2 1 ATOM 962 N N . ILE A 1 128 ? 5.102 1.868 17.496 1.00 21.26 ? 469 ILE A N 1 ATOM 963 C CA . ILE A 1 128 ? 4.161 2.413 16.532 1.00 20.89 ? 469 ILE A CA 1 ATOM 964 C C . ILE A 1 128 ? 3.089 1.353 16.261 1.00 21.42 ? 469 ILE A C 1 ATOM 965 O O . ILE A 1 128 ? 1.894 1.614 16.481 1.00 21.47 ? 469 ILE A O 1 ATOM 966 C CB . ILE A 1 128 ? 4.871 2.949 15.226 1.00 20.92 ? 469 ILE A CB 1 ATOM 967 C CG1 . ILE A 1 128 ? 5.630 4.271 15.488 1.00 19.88 ? 469 ILE A CG1 1 ATOM 968 C CG2 . ILE A 1 128 ? 3.899 3.075 14.047 1.00 19.71 ? 469 ILE A CG2 1 ATOM 969 C CD1 . ILE A 1 128 ? 4.800 5.416 16.053 1.00 19.87 ? 469 ILE A CD1 1 ATOM 970 N N . PRO A 1 129 ? 3.506 0.141 15.842 1.00 21.71 ? 470 PRO A N 1 ATOM 971 C CA . PRO A 1 129 ? 2.510 -0.819 15.373 1.00 22.21 ? 470 PRO A CA 1 ATOM 972 C C . PRO A 1 129 ? 1.546 -1.259 16.477 1.00 22.87 ? 470 PRO A C 1 ATOM 973 O O . PRO A 1 129 ? 0.325 -1.233 16.276 1.00 22.68 ? 470 PRO A O 1 ATOM 974 C CB . PRO A 1 129 ? 3.363 -1.994 14.878 1.00 22.48 ? 470 PRO A CB 1 ATOM 975 C CG . PRO A 1 129 ? 4.647 -1.898 15.658 1.00 22.19 ? 470 PRO A CG 1 ATOM 976 C CD . PRO A 1 129 ? 4.874 -0.414 15.790 1.00 21.88 ? 470 PRO A CD 1 ATOM 977 N N . MET A 1 130 ? 2.093 -1.639 17.634 1.00 23.71 ? 471 MET A N 1 ATOM 978 C CA . MET A 1 130 ? 1.282 -2.061 18.769 1.00 24.65 ? 471 MET A CA 1 ATOM 979 C C . MET A 1 130 ? 0.452 -0.900 19.316 1.00 25.60 ? 471 MET A C 1 ATOM 980 O O . MET A 1 130 ? -0.669 -1.114 19.783 1.00 25.69 ? 471 MET A O 1 ATOM 981 C CB . MET A 1 130 ? 2.137 -2.670 19.875 1.00 24.24 ? 471 MET A CB 1 ATOM 982 C CG . MET A 1 130 ? 2.848 -3.949 19.475 1.00 24.99 ? 471 MET A CG 1 ATOM 983 S SD . MET A 1 130 ? 1.758 -5.197 18.780 1.00 24.29 ? 471 MET A SD 1 ATOM 984 C CE . MET A 1 130 ? 1.889 -4.818 17.055 1.00 24.85 ? 471 MET A CE 1 ATOM 985 N N . GLY A 1 131 ? 1.010 0.316 19.247 1.00 26.17 ? 472 GLY A N 1 ATOM 986 C CA . GLY A 1 131 ? 0.312 1.538 19.638 1.00 26.67 ? 472 GLY A CA 1 ATOM 987 C C . GLY A 1 131 ? -0.928 1.755 18.800 1.00 27.33 ? 472 GLY A C 1 ATOM 988 O O . GLY A 1 131 ? -2.009 2.010 19.329 1.00 27.22 ? 472 GLY A O 1 ATOM 989 N N . LEU A 1 132 ? -0.784 1.630 17.488 1.00 28.20 ? 473 LEU A N 1 ATOM 990 C CA . LEU A 1 132 ? -1.947 1.671 16.599 1.00 29.26 ? 473 LEU A CA 1 ATOM 991 C C . LEU A 1 132 ? -2.935 0.530 16.913 1.00 30.06 ? 473 LEU A C 1 ATOM 992 O O . LEU A 1 132 ? -4.156 0.727 16.896 1.00 30.08 ? 473 LEU A O 1 ATOM 993 C CB . LEU A 1 132 ? -1.514 1.636 15.119 1.00 29.06 ? 473 LEU A CB 1 ATOM 994 C CG . LEU A 1 132 ? -0.558 2.753 14.651 1.00 28.05 ? 473 LEU A CG 1 ATOM 995 C CD1 . LEU A 1 132 ? 0.150 2.382 13.365 1.00 27.69 ? 473 LEU A CD1 1 ATOM 996 C CD2 . LEU A 1 132 ? -1.268 4.079 14.498 1.00 26.27 ? 473 LEU A CD2 1 ATOM 997 N N . ILE A 1 133 ? -2.410 -0.644 17.243 1.00 30.95 ? 474 ILE A N 1 ATOM 998 C CA . ILE A 1 133 ? -3.267 -1.808 17.418 1.00 32.25 ? 474 ILE A CA 1 ATOM 999 C C . ILE A 1 133 ? -4.084 -1.782 18.732 1.00 33.47 ? 474 ILE A C 1 ATOM 1000 O O . ILE A 1 133 ? -5.249 -2.206 18.754 1.00 33.99 ? 474 ILE A O 1 ATOM 1001 C CB . ILE A 1 133 ? -2.486 -3.123 17.164 1.00 32.24 ? 474 ILE A CB 1 ATOM 1002 C CG1 . ILE A 1 133 ? -1.971 -3.145 15.716 1.00 31.98 ? 474 ILE A CG1 1 ATOM 1003 C CG2 . ILE A 1 133 ? -3.364 -4.324 17.396 1.00 32.44 ? 474 ILE A CG2 1 ATOM 1004 C CD1 . ILE A 1 133 ? -1.139 -4.338 15.351 1.00 32.10 ? 474 ILE A CD1 1 ATOM 1005 N N . VAL A 1 134 ? -3.499 -1.260 19.810 1.00 34.53 ? 475 VAL A N 1 ATOM 1006 C CA . VAL A 1 134 ? -4.243 -1.017 21.051 1.00 35.56 ? 475 VAL A CA 1 ATOM 1007 C C . VAL A 1 134 ? -5.307 0.066 20.827 1.00 36.59 ? 475 VAL A C 1 ATOM 1008 O O . VAL A 1 134 ? -6.457 -0.102 21.232 1.00 36.86 ? 475 VAL A O 1 ATOM 1009 C CB . VAL A 1 134 ? -3.323 -0.554 22.226 1.00 35.52 ? 475 VAL A CB 1 ATOM 1010 C CG1 . VAL A 1 134 ? -4.152 -0.231 23.464 1.00 36.03 ? 475 VAL A CG1 1 ATOM 1011 C CG2 . VAL A 1 134 ? -2.256 -1.595 22.564 1.00 35.95 ? 475 VAL A CG2 1 ATOM 1012 N N . ASN A 1 135 ? -4.914 1.187 20.213 1.00 37.59 ? 476 ASN A N 1 ATOM 1013 C CA . ASN A 1 135 ? -5.853 2.272 19.936 1.00 38.56 ? 476 ASN A CA 1 ATOM 1014 C C . ASN A 1 135 ? -7.046 1.750 19.127 1.00 39.73 ? 476 ASN A C 1 ATOM 1015 O O . ASN A 1 135 ? -8.186 1.785 19.613 1.00 39.90 ? 476 ASN A O 1 ATOM 1016 C CB . ASN A 1 135 ? -5.169 3.462 19.238 1.00 38.30 ? 476 ASN A CB 1 ATOM 1017 C CG . ASN A 1 135 ? -4.558 4.471 20.224 1.00 37.92 ? 476 ASN A CG 1 ATOM 1018 O OD1 . ASN A 1 135 ? -4.761 4.378 21.437 1.00 36.62 ? 476 ASN A OD1 1 ATOM 1019 N ND2 . ASN A 1 135 ? -3.808 5.452 19.687 1.00 37.59 ? 476 ASN A ND2 1 ATOM 1020 N N . GLN A 1 136 ? -6.776 1.223 17.927 1.00 40.67 ? 477 GLN A N 1 ATOM 1021 C CA . GLN A 1 136 ? -7.822 0.675 17.047 1.00 41.88 ? 477 GLN A CA 1 ATOM 1022 C C . GLN A 1 136 ? -8.712 -0.388 17.698 1.00 41.81 ? 477 GLN A C 1 ATOM 1023 O O . GLN A 1 136 ? -9.893 -0.491 17.380 1.00 42.20 ? 477 GLN A O 1 ATOM 1024 C CB . GLN A 1 136 ? -7.212 0.119 15.756 1.00 41.94 ? 477 GLN A CB 1 ATOM 1025 C CG . GLN A 1 136 ? -6.580 1.182 14.841 1.00 43.10 ? 477 GLN A CG 1 ATOM 1026 C CD . GLN A 1 136 ? -6.022 0.611 13.530 1.00 43.39 ? 477 GLN A CD 1 ATOM 1027 O OE1 . GLN A 1 136 ? -5.865 -0.612 13.373 1.00 45.14 ? 477 GLN A OE1 1 ATOM 1028 N NE2 . GLN A 1 136 ? -5.710 1.505 12.581 1.00 44.93 ? 477 GLN A NE2 1 ATOM 1029 N N . THR A 1 137 ? -8.151 -1.160 18.619 1.00 42.18 ? 478 THR A N 1 ATOM 1030 C CA . THR A 1 137 ? -8.856 -2.293 19.218 1.00 42.62 ? 478 THR A CA 1 ATOM 1031 C C . THR A 1 137 ? -9.569 -1.988 20.551 1.00 43.11 ? 478 THR A C 1 ATOM 1032 O O . THR A 1 137 ? -10.531 -2.669 20.918 1.00 43.37 ? 478 THR A O 1 ATOM 1033 C CB . THR A 1 137 ? -7.897 -3.490 19.371 1.00 42.36 ? 478 THR A CB 1 ATOM 1034 O OG1 . THR A 1 137 ? -7.739 -4.129 18.101 1.00 41.99 ? 478 THR A OG1 1 ATOM 1035 C CG2 . THR A 1 137 ? -8.429 -4.499 20.347 1.00 42.84 ? 478 THR A CG2 1 ATOM 1036 N N . GLY A 1 138 ? -9.100 -0.968 21.265 1.00 43.49 ? 479 GLY A N 1 ATOM 1037 C CA . GLY A 1 138 ? -9.650 -0.614 22.572 1.00 43.91 ? 479 GLY A CA 1 ATOM 1038 C C . GLY A 1 138 ? -9.282 -1.613 23.654 1.00 44.38 ? 479 GLY A C 1 ATOM 1039 O O . GLY A 1 138 ? -10.022 -1.795 24.626 1.00 45.07 ? 479 GLY A O 1 ATOM 1040 N N . SER A 1 139 ? -8.132 -2.260 23.497 1.00 44.45 ? 480 SER A N 1 ATOM 1041 C CA . SER A 1 139 ? -7.709 -3.301 24.427 1.00 44.29 ? 480 SER A CA 1 ATOM 1042 C C . SER A 1 139 ? -6.183 -3.401 24.563 1.00 43.94 ? 480 SER A C 1 ATOM 1043 O O . SER A 1 139 ? -5.455 -3.359 23.576 1.00 43.74 ? 480 SER A O 1 ATOM 1044 C CB . SER A 1 139 ? -8.306 -4.640 23.997 1.00 44.29 ? 480 SER A CB 1 ATOM 1045 O OG . SER A 1 139 ? -7.613 -5.725 24.577 1.00 45.31 ? 480 SER A OG 1 ATOM 1046 N N . CYS A 1 140 ? -5.721 -3.538 25.803 1.00 43.65 ? 481 CYS A N 1 ATOM 1047 C CA . CYS A 1 140 ? -4.303 -3.728 26.112 1.00 43.21 ? 481 CYS A CA 1 ATOM 1048 C C . CYS A 1 140 ? -3.838 -5.169 25.908 1.00 42.72 ? 481 CYS A C 1 ATOM 1049 O O . CYS A 1 140 ? -2.695 -5.516 26.249 1.00 42.68 ? 481 CYS A O 1 ATOM 1050 C CB . CYS A 1 140 ? -4.032 -3.310 27.553 1.00 43.35 ? 481 CYS A CB 1 ATOM 1051 S SG . CYS A 1 140 ? -4.155 -1.542 27.803 1.00 44.30 ? 481 CYS A SG 1 ATOM 1052 N N . ALA A 1 141 ? -4.717 -5.996 25.342 1.00 41.79 ? 482 ALA A N 1 ATOM 1053 C CA . ALA A 1 141 ? -4.453 -7.415 25.182 1.00 41.33 ? 482 ALA A CA 1 ATOM 1054 C C . ALA A 1 141 ? -3.515 -7.731 24.006 1.00 41.09 ? 482 ALA A C 1 ATOM 1055 O O . ALA A 1 141 ? -3.565 -8.839 23.452 1.00 41.24 ? 482 ALA A O 1 ATOM 1056 C CB . ALA A 1 141 ? -5.766 -8.177 25.039 1.00 41.44 ? 482 ALA A CB 1 ATOM 1057 N N . PHE A 1 142 ? -2.644 -6.781 23.654 1.00 40.26 ? 483 PHE A N 1 ATOM 1058 C CA . PHE A 1 142 ? -1.755 -6.917 22.492 1.00 39.30 ? 483 PHE A CA 1 ATOM 1059 C C . PHE A 1 142 ? -1.071 -8.282 22.339 1.00 38.78 ? 483 PHE A C 1 ATOM 1060 O O . PHE A 1 142 ? -0.706 -8.676 21.227 1.00 38.38 ? 483 PHE A O 1 ATOM 1061 C CB . PHE A 1 142 ? -0.736 -5.765 22.422 1.00 39.04 ? 483 PHE A CB 1 ATOM 1062 C CG . PHE A 1 142 ? 0.288 -5.761 23.528 1.00 38.24 ? 483 PHE A CG 1 ATOM 1063 C CD1 . PHE A 1 142 ? 0.314 -4.722 24.453 1.00 37.46 ? 483 PHE A CD1 1 ATOM 1064 C CD2 . PHE A 1 142 ? 1.255 -6.761 23.619 1.00 36.96 ? 483 PHE A CD2 1 ATOM 1065 C CE1 . PHE A 1 142 ? 1.268 -4.699 25.463 1.00 36.58 ? 483 PHE A CE1 1 ATOM 1066 C CE2 . PHE A 1 142 ? 2.200 -6.746 24.625 1.00 35.71 ? 483 PHE A CE2 1 ATOM 1067 C CZ . PHE A 1 142 ? 2.212 -5.712 25.543 1.00 36.45 ? 483 PHE A CZ 1 ATOM 1068 N N . ASP A 1 143 ? -0.930 -9.000 23.450 1.00 38.41 ? 484 ASP A N 1 ATOM 1069 C CA . ASP A 1 143 ? -0.388 -10.355 23.432 1.00 38.45 ? 484 ASP A CA 1 ATOM 1070 C C . ASP A 1 143 ? -1.339 -11.389 22.834 1.00 37.73 ? 484 ASP A C 1 ATOM 1071 O O . ASP A 1 143 ? -0.954 -12.532 22.654 1.00 38.02 ? 484 ASP A O 1 ATOM 1072 C CB . ASP A 1 143 ? 0.069 -10.799 24.834 1.00 38.82 ? 484 ASP A CB 1 ATOM 1073 C CG . ASP A 1 143 ? -1.057 -10.784 25.858 1.00 40.24 ? 484 ASP A CG 1 ATOM 1074 O OD1 . ASP A 1 143 ? -1.755 -9.749 25.963 1.00 41.27 ? 484 ASP A OD1 1 ATOM 1075 O OD2 . ASP A 1 143 ? -1.238 -11.804 26.569 1.00 42.30 ? 484 ASP A OD2 1 ATOM 1076 N N . GLU A 1 144 ? -2.564 -10.989 22.511 1.00 36.87 ? 485 GLU A N 1 ATOM 1077 C CA . GLU A 1 144 ? -3.556 -11.914 21.952 1.00 36.36 ? 485 GLU A CA 1 ATOM 1078 C C . GLU A 1 144 ? -3.982 -11.578 20.526 1.00 34.85 ? 485 GLU A C 1 ATOM 1079 O O . GLU A 1 144 ? -4.822 -12.273 19.956 1.00 35.19 ? 485 GLU A O 1 ATOM 1080 C CB . GLU A 1 144 ? -4.794 -11.998 22.861 1.00 36.30 ? 485 GLU A CB 1 ATOM 1081 C CG . GLU A 1 144 ? -4.521 -12.646 24.229 1.00 37.87 ? 485 GLU A CG 1 ATOM 1082 C CD . GLU A 1 144 ? -5.763 -12.752 25.140 1.00 38.50 ? 485 GLU A CD 1 ATOM 1083 O OE1 . GLU A 1 144 ? -5.627 -13.293 26.259 1.00 41.04 ? 485 GLU A OE1 1 ATOM 1084 O OE2 . GLU A 1 144 ? -6.873 -12.313 24.752 1.00 41.59 ? 485 GLU A OE2 1 ATOM 1085 N N . PHE A 1 145 ? -3.402 -10.528 19.947 1.00 33.35 ? 486 PHE A N 1 ATOM 1086 C CA . PHE A 1 145 ? -3.797 -10.042 18.618 1.00 31.74 ? 486 PHE A CA 1 ATOM 1087 C C . PHE A 1 145 ? -3.242 -10.862 17.462 1.00 30.66 ? 486 PHE A C 1 ATOM 1088 O O . PHE A 1 145 ? -3.975 -11.227 16.551 1.00 30.34 ? 486 PHE A O 1 ATOM 1089 C CB . PHE A 1 145 ? -3.393 -8.586 18.428 1.00 31.76 ? 486 PHE A CB 1 ATOM 1090 C CG . PHE A 1 145 ? -3.817 -8.003 17.098 1.00 32.20 ? 486 PHE A CG 1 ATOM 1091 C CD1 . PHE A 1 145 ? -5.105 -7.478 16.928 1.00 32.58 ? 486 PHE A CD1 1 ATOM 1092 C CD2 . PHE A 1 145 ? -2.929 -7.955 16.027 1.00 31.75 ? 486 PHE A CD2 1 ATOM 1093 C CE1 . PHE A 1 145 ? -5.496 -6.917 15.711 1.00 31.69 ? 486 PHE A CE1 1 ATOM 1094 C CE2 . PHE A 1 145 ? -3.310 -7.402 14.820 1.00 32.43 ? 486 PHE A CE2 1 ATOM 1095 C CZ . PHE A 1 145 ? -4.603 -6.881 14.661 1.00 32.22 ? 486 PHE A CZ 1 ATOM 1096 N N . PHE A 1 146 ? -1.938 -11.101 17.475 1.00 29.64 ? 487 PHE A N 1 ATOM 1097 C CA . PHE A 1 146 ? -1.322 -11.966 16.490 1.00 28.78 ? 487 PHE A CA 1 ATOM 1098 C C . PHE A 1 146 ? -1.316 -13.362 17.079 1.00 28.48 ? 487 PHE A C 1 ATOM 1099 O O . PHE A 1 146 ? -1.227 -13.510 18.297 1.00 28.47 ? 487 PHE A O 1 ATOM 1100 C CB . PHE A 1 146 ? 0.099 -11.504 16.170 1.00 28.74 ? 487 PHE A CB 1 ATOM 1101 C CG . PHE A 1 146 ? 0.162 -10.233 15.383 1.00 28.03 ? 487 PHE A CG 1 ATOM 1102 C CD1 . PHE A 1 146 ? -0.359 -10.170 14.094 1.00 27.41 ? 487 PHE A CD1 1 ATOM 1103 C CD2 . PHE A 1 146 ? 0.749 -9.098 15.926 1.00 28.88 ? 487 PHE A CD2 1 ATOM 1104 C CE1 . PHE A 1 146 ? -0.309 -9.002 13.357 1.00 27.34 ? 487 PHE A CE1 1 ATOM 1105 C CE2 . PHE A 1 146 ? 0.809 -7.915 15.197 1.00 29.49 ? 487 PHE A CE2 1 ATOM 1106 C CZ . PHE A 1 146 ? 0.269 -7.872 13.903 1.00 29.08 ? 487 PHE A CZ 1 ATOM 1107 N N . SER A 1 147 ? -1.426 -14.385 16.235 1.00 27.79 ? 488 SER A N 1 ATOM 1108 C CA . SER A 1 147 ? -1.446 -15.750 16.744 1.00 27.12 ? 488 SER A CA 1 ATOM 1109 C C . SER A 1 147 ? -0.068 -16.146 17.272 1.00 26.75 ? 488 SER A C 1 ATOM 1110 O O . SER A 1 147 ? 0.043 -16.672 18.381 1.00 26.56 ? 488 SER A O 1 ATOM 1111 C CB . SER A 1 147 ? -1.972 -16.749 15.706 1.00 26.94 ? 488 SER A CB 1 ATOM 1112 O OG . SER A 1 147 ? -1.252 -16.687 14.498 1.00 26.80 ? 488 SER A OG 1 ATOM 1113 N N . GLN A 1 148 ? 0.969 -15.871 16.477 1.00 26.36 ? 489 GLN A N 1 ATOM 1114 C CA . GLN A 1 148 ? 2.365 -16.149 16.847 1.00 25.71 ? 489 GLN A CA 1 ATOM 1115 C C . GLN A 1 148 ? 3.256 -15.041 16.304 1.00 25.01 ? 489 GLN A C 1 ATOM 1116 O O . GLN A 1 148 ? 3.025 -14.538 15.206 1.00 25.27 ? 489 GLN A O 1 ATOM 1117 C CB . GLN A 1 148 ? 2.857 -17.474 16.267 1.00 25.59 ? 489 GLN A CB 1 ATOM 1118 C CG . GLN A 1 148 ? 1.822 -18.544 16.037 1.00 26.48 ? 489 GLN A CG 1 ATOM 1119 C CD . GLN A 1 148 ? 2.467 -19.895 15.845 1.00 28.11 ? 489 GLN A CD 1 ATOM 1120 O OE1 . GLN A 1 148 ? 2.960 -20.488 16.801 1.00 29.04 ? 489 GLN A OE1 1 ATOM 1121 N NE2 . GLN A 1 148 ? 2.475 -20.392 14.608 1.00 28.93 ? 489 GLN A NE2 1 ATOM 1122 N N . SER A 1 149 ? 4.281 -14.672 17.063 1.00 24.15 ? 490 SER A N 1 ATOM 1123 C CA . SER A 1 149 ? 5.207 -13.616 16.649 1.00 23.27 ? 490 SER A CA 1 ATOM 1124 C C . SER A 1 149 ? 6.640 -13.927 17.027 1.00 22.27 ? 490 SER A C 1 ATOM 1125 O O . SER A 1 149 ? 6.918 -14.922 17.699 1.00 21.71 ? 490 SER A O 1 ATOM 1126 C CB . SER A 1 149 ? 4.824 -12.280 17.290 1.00 23.30 ? 490 SER A CB 1 ATOM 1127 O OG . SER A 1 149 ? 3.447 -11.996 17.127 1.00 23.99 ? 490 SER A OG 1 ATOM 1128 N N . CYS A 1 150 ? 7.543 -13.061 16.572 1.00 21.65 ? 491 CYS A N 1 ATOM 1129 C CA . CYS A 1 150 ? 8.886 -12.975 17.135 1.00 20.73 ? 491 CYS A CA 1 ATOM 1130 C C . CYS A 1 150 ? 9.118 -11.537 17.518 1.00 19.54 ? 491 CYS A C 1 ATOM 1131 O O . CYS A 1 150 ? 9.482 -10.719 16.683 1.00 19.43 ? 491 CYS A O 1 ATOM 1132 C CB . CYS A 1 150 ? 9.969 -13.463 16.169 1.00 21.28 ? 491 CYS A CB 1 ATOM 1133 S SG . CYS A 1 150 ? 11.662 -13.358 16.871 1.00 23.00 ? 491 CYS A SG 1 ATOM 1134 N N . ALA A 1 151 ? 8.852 -11.242 18.788 1.00 18.80 ? 492 ALA A N 1 ATOM 1135 C CA . ALA A 1 151 ? 9.033 -9.930 19.395 1.00 17.67 ? 492 ALA A CA 1 ATOM 1136 C C . ALA A 1 151 ? 10.171 -10.040 20.413 1.00 17.20 ? 492 ALA A C 1 ATOM 1137 O O . ALA A 1 151 ? 9.914 -10.267 21.598 1.00 16.81 ? 492 ALA A O 1 ATOM 1138 C CB . ALA A 1 151 ? 7.761 -9.516 20.083 1.00 17.38 ? 492 ALA A CB 1 ATOM 1139 N N . PRO A 1 152 ? 11.436 -9.887 19.961 1.00 16.87 ? 493 PRO A N 1 ATOM 1140 C CA . PRO A 1 152 ? 12.526 -10.116 20.908 1.00 17.13 ? 493 PRO A CA 1 ATOM 1141 C C . PRO A 1 152 ? 12.450 -9.237 22.172 1.00 17.08 ? 493 PRO A C 1 ATOM 1142 O O . PRO A 1 152 ? 12.325 -8.003 22.091 1.00 16.78 ? 493 PRO A O 1 ATOM 1143 C CB . PRO A 1 152 ? 13.787 -9.853 20.069 1.00 17.38 ? 493 PRO A CB 1 ATOM 1144 C CG . PRO A 1 152 ? 13.338 -10.084 18.639 1.00 16.71 ? 493 PRO A CG 1 ATOM 1145 C CD . PRO A 1 152 ? 11.954 -9.517 18.630 1.00 16.60 ? 493 PRO A CD 1 ATOM 1146 N N . GLY A 1 153 ? 12.490 -9.903 23.326 1.00 17.00 ? 494 GLY A N 1 ATOM 1147 C CA . GLY A 1 153 ? 12.287 -9.245 24.617 1.00 17.07 ? 494 GLY A CA 1 ATOM 1148 C C . GLY A 1 153 ? 11.020 -9.667 25.347 1.00 16.77 ? 494 GLY A C 1 ATOM 1149 O O . GLY A 1 153 ? 10.823 -9.332 26.495 1.00 16.36 ? 494 GLY A O 1 ATOM 1150 N N . ALA A 1 154 ? 10.141 -10.389 24.674 1.00 17.38 ? 495 ALA A N 1 ATOM 1151 C CA . ALA A 1 154 ? 8.918 -10.851 25.315 1.00 17.90 ? 495 ALA A CA 1 ATOM 1152 C C . ALA A 1 154 ? 9.257 -12.157 26.053 1.00 18.08 ? 495 ALA A C 1 ATOM 1153 O O . ALA A 1 154 ? 10.376 -12.652 25.908 1.00 18.05 ? 495 ALA A O 1 ATOM 1154 C CB . ALA A 1 154 ? 7.810 -11.044 24.277 1.00 17.31 ? 495 ALA A CB 1 ATOM 1155 N N . ASP A 1 155 ? 8.320 -12.690 26.841 1.00 18.29 ? 496 ASP A N 1 ATOM 1156 C CA . ASP A 1 155 ? 8.557 -13.904 27.624 1.00 19.12 ? 496 ASP A CA 1 ATOM 1157 C C . ASP A 1 155 ? 8.840 -15.076 26.689 1.00 18.84 ? 496 ASP A C 1 ATOM 1158 O O . ASP A 1 155 ? 8.019 -15.396 25.841 1.00 18.83 ? 496 ASP A O 1 ATOM 1159 C CB . ASP A 1 155 ? 7.345 -14.214 28.521 1.00 19.50 ? 496 ASP A CB 1 ATOM 1160 C CG . ASP A 1 155 ? 7.581 -15.402 29.479 1.00 21.92 ? 496 ASP A CG 1 ATOM 1161 O OD1 . ASP A 1 155 ? 8.552 -16.179 29.321 1.00 23.22 ? 496 ASP A OD1 1 ATOM 1162 O OD2 . ASP A 1 155 ? 6.764 -15.572 30.414 1.00 25.73 ? 496 ASP A OD2 1 ATOM 1163 N N . PRO A 1 156 ? 10.010 -15.721 26.835 1.00 18.94 ? 497 PRO A N 1 ATOM 1164 C CA . PRO A 1 156 ? 10.336 -16.864 25.960 1.00 19.24 ? 497 PRO A CA 1 ATOM 1165 C C . PRO A 1 156 ? 9.227 -17.918 25.859 1.00 19.46 ? 497 PRO A C 1 ATOM 1166 O O . PRO A 1 156 ? 9.020 -18.491 24.793 1.00 19.15 ? 497 PRO A O 1 ATOM 1167 C CB . PRO A 1 156 ? 11.594 -17.442 26.607 1.00 19.01 ? 497 PRO A CB 1 ATOM 1168 C CG . PRO A 1 156 ? 12.251 -16.244 27.237 1.00 18.58 ? 497 PRO A CG 1 ATOM 1169 C CD . PRO A 1 156 ? 11.111 -15.417 27.771 1.00 18.62 ? 497 PRO A CD 1 ATOM 1170 N N . LYS A 1 157 ? 8.510 -18.138 26.957 1.00 20.26 ? 498 LYS A N 1 ATOM 1171 C CA . LYS A 1 157 ? 7.415 -19.118 27.018 1.00 21.01 ? 498 LYS A CA 1 ATOM 1172 C C . LYS A 1 157 ? 6.124 -18.614 26.375 1.00 20.76 ? 498 LYS A C 1 ATOM 1173 O O . LYS A 1 157 ? 5.156 -19.363 26.283 1.00 20.80 ? 498 LYS A O 1 ATOM 1174 C CB . LYS A 1 157 ? 7.115 -19.490 28.475 1.00 21.27 ? 498 LYS A CB 1 ATOM 1175 C CG . LYS A 1 157 ? 8.345 -19.935 29.286 1.00 23.89 ? 498 LYS A CG 1 ATOM 1176 C CD . LYS A 1 157 ? 8.510 -19.092 30.544 1.00 25.54 ? 498 LYS A CD 1 ATOM 1177 C CE . LYS A 1 157 ? 7.201 -18.979 31.313 1.00 26.50 ? 498 LYS A CE 1 ATOM 1178 N NZ . LYS A 1 157 ? 7.235 -17.813 32.248 1.00 26.24 ? 498 LYS A NZ 1 ATOM 1179 N N . SER A 1 158 ? 6.093 -17.349 25.959 1.00 20.38 ? 499 SER A N 1 ATOM 1180 C CA . SER A 1 158 ? 4.867 -16.783 25.435 1.00 20.32 ? 499 SER A CA 1 ATOM 1181 C C . SER A 1 158 ? 4.760 -16.944 23.929 1.00 20.33 ? 499 SER A C 1 ATOM 1182 O O . SER A 1 158 ? 5.757 -17.215 23.251 1.00 20.13 ? 499 SER A O 1 ATOM 1183 C CB . SER A 1 158 ? 4.741 -15.315 25.820 1.00 20.33 ? 499 SER A CB 1 ATOM 1184 O OG . SER A 1 158 ? 5.702 -14.537 25.136 1.00 21.60 ? 499 SER A OG 1 ATOM 1185 N N . ARG A 1 159 ? 3.538 -16.767 23.423 1.00 20.41 ? 500 ARG A N 1 ATOM 1186 C CA . ARG A 1 159 ? 3.250 -16.790 21.987 1.00 20.92 ? 500 ARG A CA 1 ATOM 1187 C C . ARG A 1 159 ? 4.019 -15.714 21.186 1.00 20.39 ? 500 ARG A C 1 ATOM 1188 O O . ARG A 1 159 ? 4.347 -15.923 20.011 1.00 19.82 ? 500 ARG A O 1 ATOM 1189 C CB . ARG A 1 159 ? 1.737 -16.689 21.749 1.00 21.32 ? 500 ARG A CB 1 ATOM 1190 C CG . ARG A 1 159 ? 1.122 -15.368 22.161 1.00 24.15 ? 500 ARG A CG 1 ATOM 1191 C CD . ARG A 1 159 ? -0.258 -15.578 22.767 1.00 29.53 ? 500 ARG A CD 1 ATOM 1192 N NE . ARG A 1 159 ? -1.331 -15.203 21.848 1.00 32.94 ? 500 ARG A NE 1 ATOM 1193 C CZ . ARG A 1 159 ? -1.892 -16.022 20.965 1.00 35.25 ? 500 ARG A CZ 1 ATOM 1194 N NH1 . ARG A 1 159 ? -1.479 -17.285 20.853 1.00 35.51 ? 500 ARG A NH1 1 ATOM 1195 N NH2 . ARG A 1 159 ? -2.867 -15.567 20.183 1.00 36.90 ? 500 ARG A NH2 1 ATOM 1196 N N . LEU A 1 160 ? 4.311 -14.586 21.846 1.00 20.02 ? 501 LEU A N 1 ATOM 1197 C CA . LEU A 1 160 ? 5.141 -13.499 21.294 1.00 19.57 ? 501 LEU A CA 1 ATOM 1198 C C . LEU A 1 160 ? 6.601 -13.847 21.021 1.00 19.40 ? 501 LEU A C 1 ATOM 1199 O O . LEU A 1 160 ? 7.303 -13.058 20.427 1.00 18.70 ? 501 LEU A O 1 ATOM 1200 C CB . LEU A 1 160 ? 5.112 -12.289 22.220 1.00 19.34 ? 501 LEU A CB 1 ATOM 1201 C CG . LEU A 1 160 ? 3.952 -11.320 22.086 1.00 18.96 ? 501 LEU A CG 1 ATOM 1202 C CD1 . LEU A 1 160 ? 3.925 -10.370 23.264 1.00 18.20 ? 501 LEU A CD1 1 ATOM 1203 C CD2 . LEU A 1 160 ? 4.034 -10.566 20.771 1.00 18.84 ? 501 LEU A CD2 1 ATOM 1204 N N . CYS A 1 161 ? 7.057 -15.006 21.479 1.00 20.00 ? 502 CYS A N 1 ATOM 1205 C CA . CYS A 1 161 ? 8.398 -15.492 21.159 1.00 20.50 ? 502 CYS A CA 1 ATOM 1206 C C . CYS A 1 161 ? 8.396 -16.755 20.262 1.00 20.83 ? 502 CYS A C 1 ATOM 1207 O O . CYS A 1 161 ? 9.459 -17.214 19.836 1.00 20.79 ? 502 CYS A O 1 ATOM 1208 C CB . CYS A 1 161 ? 9.181 -15.750 22.450 1.00 20.82 ? 502 CYS A CB 1 ATOM 1209 S SG . CYS A 1 161 ? 9.862 -14.267 23.277 1.00 20.18 ? 502 CYS A SG 1 ATOM 1210 N N . ALA A 1 162 ? 7.205 -17.281 19.958 1.00 21.24 ? 503 ALA A N 1 ATOM 1211 C CA . ALA A 1 162 ? 7.023 -18.562 19.235 1.00 21.73 ? 503 ALA A CA 1 ATOM 1212 C C . ALA A 1 162 ? 7.835 -18.714 17.962 1.00 22.20 ? 503 ALA A C 1 ATOM 1213 O O . ALA A 1 162 ? 8.315 -19.803 17.636 1.00 22.50 ? 503 ALA A O 1 ATOM 1214 C CB . ALA A 1 162 ? 5.543 -18.780 18.911 1.00 21.62 ? 503 ALA A CB 1 ATOM 1215 N N . LEU A 1 163 ? 7.956 -17.617 17.226 1.00 22.93 ? 504 LEU A N 1 ATOM 1216 C CA . LEU A 1 163 ? 8.548 -17.643 15.900 1.00 23.01 ? 504 LEU A CA 1 ATOM 1217 C C . LEU A 1 163 ? 10.032 -17.283 15.870 1.00 23.20 ? 504 LEU A C 1 ATOM 1218 O O . LEU A 1 163 ? 10.646 -17.326 14.796 1.00 23.26 ? 504 LEU A O 1 ATOM 1219 C CB . LEU A 1 163 ? 7.737 -16.752 14.950 1.00 23.20 ? 504 LEU A CB 1 ATOM 1220 C CG . LEU A 1 163 ? 6.597 -17.342 14.097 1.00 22.93 ? 504 LEU A CG 1 ATOM 1221 C CD1 . LEU A 1 163 ? 5.880 -18.531 14.713 1.00 23.14 ? 504 LEU A CD1 1 ATOM 1222 C CD2 . LEU A 1 163 ? 5.593 -16.250 13.755 1.00 23.00 ? 504 LEU A CD2 1 ATOM 1223 N N . CYS A 1 164 ? 10.607 -16.934 17.027 1.00 23.35 ? 505 CYS A N 1 ATOM 1224 C CA . CYS A 1 164 ? 12.049 -16.665 17.121 1.00 23.64 ? 505 CYS A CA 1 ATOM 1225 C C . CYS A 1 164 ? 12.821 -17.959 17.065 1.00 23.93 ? 505 CYS A C 1 ATOM 1226 O O . CYS A 1 164 ? 12.311 -19.005 17.442 1.00 24.31 ? 505 CYS A O 1 ATOM 1227 C CB . CYS A 1 164 ? 12.403 -15.911 18.390 1.00 23.19 ? 505 CYS A CB 1 ATOM 1228 S SG . CYS A 1 164 ? 11.491 -14.363 18.642 1.00 25.81 ? 505 CYS A SG 1 ATOM 1229 N N . ALA A 1 165 ? 14.057 -17.890 16.591 1.00 24.64 ? 506 ALA A N 1 ATOM 1230 C CA . ALA A 1 165 ? 14.863 -19.087 16.391 1.00 25.23 ? 506 ALA A CA 1 ATOM 1231 C C . ALA A 1 165 ? 16.004 -19.272 17.415 1.00 25.90 ? 506 ALA A C 1 ATOM 1232 O O . ALA A 1 165 ? 16.445 -20.399 17.654 1.00 25.97 ? 506 ALA A O 1 ATOM 1233 C CB . ALA A 1 165 ? 15.400 -19.122 14.963 1.00 24.82 ? 506 ALA A CB 1 ATOM 1234 N N . GLY A 1 166 ? 16.471 -18.186 18.022 1.00 26.37 ? 507 GLY A N 1 ATOM 1235 C CA . GLY A 1 166 ? 17.705 -18.253 18.805 1.00 27.81 ? 507 GLY A CA 1 ATOM 1236 C C . GLY A 1 166 ? 18.934 -18.297 17.902 1.00 28.69 ? 507 GLY A C 1 ATOM 1237 O O . GLY A 1 166 ? 18.826 -18.010 16.695 1.00 29.30 ? 507 GLY A O 1 ATOM 1238 N N . ASP A 1 167 ? 20.096 -18.651 18.459 1.00 28.90 ? 508 ASP A N 1 ATOM 1239 C CA . ASP A 1 167 ? 21.335 -18.687 17.667 1.00 29.52 ? 508 ASP A CA 1 ATOM 1240 C C . ASP A 1 167 ? 21.504 -19.960 16.818 1.00 30.19 ? 508 ASP A C 1 ATOM 1241 O O . ASP A 1 167 ? 20.550 -20.723 16.648 1.00 29.91 ? 508 ASP A O 1 ATOM 1242 C CB . ASP A 1 167 ? 22.562 -18.426 18.547 1.00 29.18 ? 508 ASP A CB 1 ATOM 1243 C CG . ASP A 1 167 ? 22.799 -19.510 19.575 1.00 28.89 ? 508 ASP A CG 1 ATOM 1244 O OD1 . ASP A 1 167 ? 22.040 -20.498 19.599 1.00 29.90 ? 508 ASP A OD1 1 ATOM 1245 O OD2 . ASP A 1 167 ? 23.759 -19.372 20.370 1.00 27.38 ? 508 ASP A OD2 1 ATOM 1246 N N . ASP A 1 168 ? 22.713 -20.174 16.286 1.00 31.42 ? 509 ASP A N 1 ATOM 1247 C CA . ASP A 1 168 ? 23.030 -21.342 15.441 1.00 32.67 ? 509 ASP A CA 1 ATOM 1248 C C . ASP A 1 168 ? 22.708 -22.629 16.175 1.00 32.70 ? 509 ASP A C 1 ATOM 1249 O O . ASP A 1 168 ? 22.271 -23.607 15.567 1.00 32.43 ? 509 ASP A O 1 ATOM 1250 C CB . ASP A 1 168 ? 24.520 -21.372 15.061 1.00 33.43 ? 509 ASP A CB 1 ATOM 1251 C CG . ASP A 1 168 ? 24.848 -20.526 13.815 1.00 36.17 ? 509 ASP A CG 1 ATOM 1252 O OD1 . ASP A 1 168 ? 24.174 -20.682 12.758 1.00 38.07 ? 509 ASP A OD1 1 ATOM 1253 O OD2 . ASP A 1 168 ? 25.809 -19.712 13.895 1.00 38.68 ? 509 ASP A OD2 1 ATOM 1254 N N . GLN A 1 169 ? 22.938 -22.607 17.492 1.00 32.80 ? 510 GLN A N 1 ATOM 1255 C CA . GLN A 1 169 ? 22.683 -23.750 18.378 1.00 32.63 ? 510 GLN A CA 1 ATOM 1256 C C . GLN A 1 169 ? 21.258 -23.873 18.902 1.00 32.27 ? 510 GLN A C 1 ATOM 1257 O O . GLN A 1 169 ? 20.942 -24.866 19.561 1.00 32.58 ? 510 GLN A O 1 ATOM 1258 C CB . GLN A 1 169 ? 23.585 -23.667 19.590 1.00 32.78 ? 510 GLN A CB 1 ATOM 1259 C CG . GLN A 1 169 ? 24.708 -24.658 19.622 1.00 33.71 ? 510 GLN A CG 1 ATOM 1260 C CD . GLN A 1 169 ? 25.626 -24.412 20.804 1.00 34.70 ? 510 GLN A CD 1 ATOM 1261 O OE1 . GLN A 1 169 ? 26.208 -25.349 21.345 1.00 35.20 ? 510 GLN A OE1 1 ATOM 1262 N NE2 . GLN A 1 169 ? 25.749 -23.143 21.221 1.00 34.23 ? 510 GLN A NE2 1 ATOM 1263 N N . GLY A 1 170 ? 20.420 -22.863 18.651 1.00 31.56 ? 511 GLY A N 1 ATOM 1264 C CA . GLY A 1 170 ? 19.048 -22.840 19.146 1.00 30.41 ? 511 GLY A CA 1 ATOM 1265 C C . GLY A 1 170 ? 18.926 -22.280 20.549 1.00 30.13 ? 511 GLY A C 1 ATOM 1266 O O . GLY A 1 170 ? 17.829 -22.291 21.134 1.00 30.56 ? 511 GLY A O 1 ATOM 1267 N N . LEU A 1 171 ? 20.048 -21.793 21.092 1.00 29.40 ? 512 LEU A N 1 ATOM 1268 C CA . LEU A 1 171 ? 20.086 -21.153 22.414 1.00 28.58 ? 512 LEU A CA 1 ATOM 1269 C C . LEU A 1 171 ? 19.718 -19.678 22.281 1.00 28.17 ? 512 LEU A C 1 ATOM 1270 O O . LEU A 1 171 ? 19.651 -19.165 21.168 1.00 28.24 ? 512 LEU A O 1 ATOM 1271 C CB . LEU A 1 171 ? 21.471 -21.304 23.058 1.00 28.57 ? 512 LEU A CB 1 ATOM 1272 C CG . LEU A 1 171 ? 22.048 -22.706 23.351 1.00 28.78 ? 512 LEU A CG 1 ATOM 1273 C CD1 . LEU A 1 171 ? 23.501 -22.625 23.767 1.00 28.75 ? 512 LEU A CD1 1 ATOM 1274 C CD2 . LEU A 1 171 ? 21.254 -23.472 24.389 1.00 28.40 ? 512 LEU A CD2 1 ATOM 1275 N N . ASP A 1 172 ? 19.461 -19.008 23.404 1.00 27.70 ? 513 ASP A N 1 ATOM 1276 C CA . ASP A 1 172 ? 19.164 -17.573 23.412 1.00 27.26 ? 513 ASP A CA 1 ATOM 1277 C C . ASP A 1 172 ? 17.888 -17.182 22.633 1.00 26.54 ? 513 ASP A C 1 ATOM 1278 O O . ASP A 1 172 ? 17.803 -16.076 22.073 1.00 26.09 ? 513 ASP A O 1 ATOM 1279 C CB . ASP A 1 172 ? 20.381 -16.783 22.899 1.00 27.76 ? 513 ASP A CB 1 ATOM 1280 C CG . ASP A 1 172 ? 21.382 -16.472 23.989 1.00 29.30 ? 513 ASP A CG 1 ATOM 1281 O OD1 . ASP A 1 172 ? 21.202 -16.944 25.129 1.00 30.91 ? 513 ASP A OD1 1 ATOM 1282 O OD2 . ASP A 1 172 ? 22.359 -15.745 23.706 1.00 32.44 ? 513 ASP A OD2 1 ATOM 1283 N N . LYS A 1 173 ? 16.909 -18.096 22.612 1.00 25.90 ? 514 LYS A N 1 ATOM 1284 C CA . LYS A 1 173 ? 15.606 -17.921 21.929 1.00 24.86 ? 514 LYS A CA 1 ATOM 1285 C C . LYS A 1 173 ? 14.942 -16.636 22.375 1.00 23.45 ? 514 LYS A C 1 ATOM 1286 O O . LYS A 1 173 ? 14.681 -16.452 23.559 1.00 23.80 ? 514 LYS A O 1 ATOM 1287 C CB . LYS A 1 173 ? 14.683 -19.088 22.277 1.00 25.25 ? 514 LYS A CB 1 ATOM 1288 C CG . LYS A 1 173 ? 13.370 -19.133 21.488 1.00 27.65 ? 514 LYS A CG 1 ATOM 1289 C CD . LYS A 1 173 ? 12.967 -20.583 21.195 1.00 29.07 ? 514 LYS A CD 1 ATOM 1290 C CE . LYS A 1 173 ? 13.827 -21.177 20.040 1.00 31.89 ? 514 LYS A CE 1 ATOM 1291 N NZ . LYS A 1 173 ? 13.503 -22.601 19.617 1.00 31.72 ? 514 LYS A NZ 1 ATOM 1292 N N . CYS A 1 174 ? 14.686 -15.744 21.425 1.00 21.65 ? 515 CYS A N 1 ATOM 1293 C CA . CYS A 1 174 ? 14.053 -14.449 21.701 1.00 20.37 ? 515 CYS A CA 1 ATOM 1294 C C . CYS A 1 174 ? 14.893 -13.346 22.355 1.00 19.61 ? 515 CYS A C 1 ATOM 1295 O O . CYS A 1 174 ? 14.342 -12.265 22.610 1.00 19.61 ? 515 CYS A O 1 ATOM 1296 C CB . CYS A 1 174 ? 12.774 -14.671 22.531 1.00 20.12 ? 515 CYS A CB 1 ATOM 1297 S SG . CYS A 1 174 ? 11.330 -13.696 22.013 1.00 20.34 ? 515 CYS A SG 1 ATOM 1298 N N . VAL A 1 175 ? 16.190 -13.574 22.622 1.00 18.23 ? 516 VAL A N 1 ATOM 1299 C CA . VAL A 1 175 ? 16.992 -12.519 23.274 1.00 17.16 ? 516 VAL A CA 1 ATOM 1300 C C . VAL A 1 175 ? 17.042 -11.270 22.429 1.00 15.89 ? 516 VAL A C 1 ATOM 1301 O O . VAL A 1 175 ? 17.108 -11.366 21.217 1.00 15.52 ? 516 VAL A O 1 ATOM 1302 C CB . VAL A 1 175 ? 18.421 -12.961 23.794 1.00 17.82 ? 516 VAL A CB 1 ATOM 1303 C CG1 . VAL A 1 175 ? 18.288 -14.117 24.771 1.00 19.55 ? 516 VAL A CG1 1 ATOM 1304 C CG2 . VAL A 1 175 ? 19.426 -13.294 22.675 1.00 16.59 ? 516 VAL A CG2 1 ATOM 1305 N N . PRO A 1 176 ? 16.967 -10.086 23.071 1.00 15.38 ? 517 PRO A N 1 ATOM 1306 C CA . PRO A 1 176 ? 16.938 -8.828 22.341 1.00 14.91 ? 517 PRO A CA 1 ATOM 1307 C C . PRO A 1 176 ? 18.343 -8.325 22.067 1.00 14.94 ? 517 PRO A C 1 ATOM 1308 O O . PRO A 1 176 ? 18.738 -7.254 22.538 1.00 14.98 ? 517 PRO A O 1 ATOM 1309 C CB . PRO A 1 176 ? 16.206 -7.902 23.292 1.00 14.72 ? 517 PRO A CB 1 ATOM 1310 C CG . PRO A 1 176 ? 16.552 -8.412 24.646 1.00 14.74 ? 517 PRO A CG 1 ATOM 1311 C CD . PRO A 1 176 ? 16.893 -9.865 24.528 1.00 15.28 ? 517 PRO A CD 1 ATOM 1312 N N . ASN A 1 177 ? 19.095 -9.119 21.320 1.00 14.91 ? 518 ASN A N 1 ATOM 1313 C CA . ASN A 1 177 ? 20.405 -8.727 20.863 1.00 15.43 ? 518 ASN A CA 1 ATOM 1314 C C . ASN A 1 177 ? 20.713 -9.590 19.655 1.00 16.05 ? 518 ASN A C 1 ATOM 1315 O O . ASN A 1 177 ? 20.014 -10.593 19.422 1.00 16.48 ? 518 ASN A O 1 ATOM 1316 C CB . ASN A 1 177 ? 21.455 -8.803 21.988 1.00 15.03 ? 518 ASN A CB 1 ATOM 1317 C CG . ASN A 1 177 ? 21.988 -10.196 22.222 1.00 15.27 ? 518 ASN A CG 1 ATOM 1318 O OD1 . ASN A 1 177 ? 22.514 -10.832 21.324 1.00 15.97 ? 518 ASN A OD1 1 ATOM 1319 N ND2 . ASN A 1 177 ? 21.894 -10.662 23.452 1.00 17.37 ? 518 ASN A ND2 1 ATOM 1320 N N . SER A 1 178 ? 21.725 -9.201 18.877 1.00 16.22 ? 519 SER A N 1 ATOM 1321 C CA . SER A 1 178 ? 21.964 -9.796 17.545 1.00 16.59 ? 519 SER A CA 1 ATOM 1322 C C . SER A 1 178 ? 22.103 -11.316 17.487 1.00 16.89 ? 519 SER A C 1 ATOM 1323 O O . SER A 1 178 ? 22.128 -11.877 16.402 1.00 17.38 ? 519 SER A O 1 ATOM 1324 C CB . SER A 1 178 ? 23.192 -9.161 16.873 1.00 16.66 ? 519 SER A CB 1 ATOM 1325 O OG . SER A 1 178 ? 24.393 -9.831 17.239 1.00 16.33 ? 519 SER A OG 1 ATOM 1326 N N . LYS A 1 179 ? 22.214 -11.979 18.632 1.00 17.04 ? 520 LYS A N 1 ATOM 1327 C CA . LYS A 1 179 ? 22.294 -13.431 18.652 1.00 17.79 ? 520 LYS A CA 1 ATOM 1328 C C . LYS A 1 179 ? 21.013 -14.137 18.222 1.00 17.82 ? 520 LYS A C 1 ATOM 1329 O O . LYS A 1 179 ? 21.016 -15.310 17.801 1.00 17.45 ? 520 LYS A O 1 ATOM 1330 C CB . LYS A 1 179 ? 22.705 -13.898 20.037 1.00 18.45 ? 520 LYS A CB 1 ATOM 1331 C CG . LYS A 1 179 ? 24.202 -13.873 20.286 1.00 19.77 ? 520 LYS A CG 1 ATOM 1332 C CD . LYS A 1 179 ? 24.526 -14.670 21.546 1.00 22.93 ? 520 LYS A CD 1 ATOM 1333 C CE . LYS A 1 179 ? 24.890 -16.110 21.185 1.00 24.21 ? 520 LYS A CE 1 ATOM 1334 N NZ . LYS A 1 179 ? 24.419 -17.059 22.231 1.00 25.52 ? 520 LYS A NZ 1 ATOM 1335 N N . GLU A 1 180 ? 19.905 -13.416 18.357 1.00 18.01 ? 521 GLU A N 1 ATOM 1336 C CA . GLU A 1 180 ? 18.650 -13.877 17.813 1.00 17.68 ? 521 GLU A CA 1 ATOM 1337 C C . GLU A 1 180 ? 18.649 -13.643 16.301 1.00 18.06 ? 521 GLU A C 1 ATOM 1338 O O . GLU A 1 180 ? 18.889 -12.519 15.826 1.00 18.32 ? 521 GLU A O 1 ATOM 1339 C CB . GLU A 1 180 ? 17.478 -13.193 18.502 1.00 16.79 ? 521 GLU A CB 1 ATOM 1340 C CG . GLU A 1 180 ? 16.162 -13.290 17.745 1.00 15.96 ? 521 GLU A CG 1 ATOM 1341 C CD . GLU A 1 180 ? 15.627 -14.707 17.555 1.00 13.70 ? 521 GLU A CD 1 ATOM 1342 O OE1 . GLU A 1 180 ? 15.606 -15.541 18.489 1.00 11.89 ? 521 GLU A OE1 1 ATOM 1343 O OE2 . GLU A 1 180 ? 15.177 -14.968 16.439 1.00 14.18 ? 521 GLU A OE2 1 ATOM 1344 N N . LYS A 1 181 ? 18.413 -14.736 15.577 1.00 18.09 ? 522 LYS A N 1 ATOM 1345 C CA . LYS A 1 181 ? 18.234 -14.764 14.126 1.00 18.37 ? 522 LYS A CA 1 ATOM 1346 C C . LYS A 1 181 ? 17.229 -13.713 13.587 1.00 18.22 ? 522 LYS A C 1 ATOM 1347 O O . LYS A 1 181 ? 17.418 -13.163 12.487 1.00 18.01 ? 522 LYS A O 1 ATOM 1348 C CB . LYS A 1 181 ? 17.777 -16.176 13.733 1.00 18.58 ? 522 LYS A CB 1 ATOM 1349 C CG . LYS A 1 181 ? 18.092 -16.602 12.307 1.00 19.71 ? 522 LYS A CG 1 ATOM 1350 C CD . LYS A 1 181 ? 17.420 -17.931 12.015 1.00 22.65 ? 522 LYS A CD 1 ATOM 1351 C CE . LYS A 1 181 ? 17.521 -18.272 10.530 1.00 25.38 ? 522 LYS A CE 1 ATOM 1352 N NZ . LYS A 1 181 ? 17.084 -19.672 10.190 1.00 26.17 ? 522 LYS A NZ 1 ATOM 1353 N N . TYR A 1 182 ? 16.176 -13.435 14.359 1.00 17.76 ? 523 TYR A N 1 ATOM 1354 C CA . TYR A 1 182 ? 15.156 -12.491 13.932 1.00 17.39 ? 523 TYR A CA 1 ATOM 1355 C C . TYR A 1 182 ? 15.076 -11.226 14.780 1.00 17.36 ? 523 TYR A C 1 ATOM 1356 O O . TYR A 1 182 ? 14.003 -10.616 14.862 1.00 17.19 ? 523 TYR A O 1 ATOM 1357 C CB . TYR A 1 182 ? 13.772 -13.149 13.848 1.00 17.55 ? 523 TYR A CB 1 ATOM 1358 C CG . TYR A 1 182 ? 13.718 -14.411 13.029 1.00 16.91 ? 523 TYR A CG 1 ATOM 1359 C CD1 . TYR A 1 182 ? 14.368 -14.496 11.803 1.00 17.91 ? 523 TYR A CD1 1 ATOM 1360 C CD2 . TYR A 1 182 ? 12.999 -15.517 13.469 1.00 16.87 ? 523 TYR A CD2 1 ATOM 1361 C CE1 . TYR A 1 182 ? 14.329 -15.674 11.028 1.00 18.53 ? 523 TYR A CE1 1 ATOM 1362 C CE2 . TYR A 1 182 ? 12.934 -16.698 12.701 1.00 17.96 ? 523 TYR A CE2 1 ATOM 1363 C CZ . TYR A 1 182 ? 13.608 -16.767 11.481 1.00 17.75 ? 523 TYR A CZ 1 ATOM 1364 O OH . TYR A 1 182 ? 13.576 -17.913 10.718 1.00 17.23 ? 523 TYR A OH 1 ATOM 1365 N N . TYR A 1 183 ? 16.203 -10.838 15.387 1.00 16.83 ? 524 TYR A N 1 ATOM 1366 C CA . TYR A 1 183 ? 16.318 -9.589 16.141 1.00 16.39 ? 524 TYR A CA 1 ATOM 1367 C C . TYR A 1 183 ? 16.584 -8.400 15.217 1.00 16.47 ? 524 TYR A C 1 ATOM 1368 O O . TYR A 1 183 ? 17.287 -8.533 14.205 1.00 16.53 ? 524 TYR A O 1 ATOM 1369 C CB . TYR A 1 183 ? 17.457 -9.682 17.160 1.00 16.71 ? 524 TYR A CB 1 ATOM 1370 C CG . TYR A 1 183 ? 17.757 -8.369 17.839 1.00 16.32 ? 524 TYR A CG 1 ATOM 1371 C CD1 . TYR A 1 183 ? 16.952 -7.913 18.871 1.00 17.91 ? 524 TYR A CD1 1 ATOM 1372 C CD2 . TYR A 1 183 ? 18.832 -7.579 17.444 1.00 16.09 ? 524 TYR A CD2 1 ATOM 1373 C CE1 . TYR A 1 183 ? 17.195 -6.687 19.504 1.00 18.13 ? 524 TYR A CE1 1 ATOM 1374 C CE2 . TYR A 1 183 ? 19.097 -6.362 18.075 1.00 17.29 ? 524 TYR A CE2 1 ATOM 1375 C CZ . TYR A 1 183 ? 18.264 -5.926 19.103 1.00 17.54 ? 524 TYR A CZ 1 ATOM 1376 O OH . TYR A 1 183 ? 18.477 -4.742 19.747 1.00 17.47 ? 524 TYR A OH 1 ATOM 1377 N N . GLY A 1 184 ? 16.049 -7.234 15.581 1.00 16.01 ? 525 GLY A N 1 ATOM 1378 C CA . GLY A 1 184 ? 16.315 -6.002 14.845 1.00 16.04 ? 525 GLY A CA 1 ATOM 1379 C C . GLY A 1 184 ? 15.820 -5.969 13.407 1.00 16.05 ? 525 GLY A C 1 ATOM 1380 O O . GLY A 1 184 ? 15.267 -6.940 12.902 1.00 16.17 ? 525 GLY A O 1 ATOM 1381 N N . TYR A 1 185 ? 16.037 -4.838 12.745 1.00 16.03 ? 526 TYR A N 1 ATOM 1382 C CA . TYR A 1 185 ? 15.496 -4.587 11.420 1.00 16.11 ? 526 TYR A CA 1 ATOM 1383 C C . TYR A 1 185 ? 15.687 -5.744 10.409 1.00 15.85 ? 526 TYR A C 1 ATOM 1384 O O . TYR A 1 185 ? 14.740 -6.195 9.763 1.00 15.64 ? 526 TYR A O 1 ATOM 1385 C CB . TYR A 1 185 ? 16.133 -3.328 10.860 1.00 16.49 ? 526 TYR A CB 1 ATOM 1386 C CG . TYR A 1 185 ? 15.824 -2.040 11.584 1.00 16.76 ? 526 TYR A CG 1 ATOM 1387 C CD1 . TYR A 1 185 ? 14.525 -1.521 11.619 1.00 17.72 ? 526 TYR A CD1 1 ATOM 1388 C CD2 . TYR A 1 185 ? 16.849 -1.293 12.165 1.00 17.57 ? 526 TYR A CD2 1 ATOM 1389 C CE1 . TYR A 1 185 ? 14.241 -0.293 12.253 1.00 17.87 ? 526 TYR A CE1 1 ATOM 1390 C CE2 . TYR A 1 185 ? 16.590 -0.072 12.796 1.00 18.09 ? 526 TYR A CE2 1 ATOM 1391 C CZ . TYR A 1 185 ? 15.283 0.427 12.841 1.00 18.09 ? 526 TYR A CZ 1 ATOM 1392 O OH . TYR A 1 185 ? 15.036 1.630 13.480 1.00 17.38 ? 526 TYR A OH 1 ATOM 1393 N N . THR A 1 186 ? 16.925 -6.199 10.284 1.00 15.59 ? 527 THR A N 1 ATOM 1394 C CA . THR A 1 186 ? 17.300 -7.269 9.370 1.00 15.36 ? 527 THR A CA 1 ATOM 1395 C C . THR A 1 186 ? 16.640 -8.603 9.740 1.00 14.32 ? 527 THR A C 1 ATOM 1396 O O . THR A 1 186 ? 16.069 -9.280 8.888 1.00 13.39 ? 527 THR A O 1 ATOM 1397 C CB . THR A 1 186 ? 18.834 -7.424 9.344 1.00 15.44 ? 527 THR A CB 1 ATOM 1398 O OG1 . THR A 1 186 ? 19.421 -6.144 9.088 1.00 16.24 ? 527 THR A OG1 1 ATOM 1399 C CG2 . THR A 1 186 ? 19.263 -8.375 8.232 1.00 16.87 ? 527 THR A CG2 1 ATOM 1400 N N . GLY A 1 187 ? 16.716 -8.960 11.017 1.00 13.77 ? 528 GLY A N 1 ATOM 1401 C CA . GLY A 1 187 ? 16.144 -10.209 11.507 1.00 13.01 ? 528 GLY A CA 1 ATOM 1402 C C . GLY A 1 187 ? 14.635 -10.261 11.390 1.00 12.63 ? 528 GLY A C 1 ATOM 1403 O O . GLY A 1 187 ? 14.068 -11.297 11.067 1.00 12.50 ? 528 GLY A O 1 ATOM 1404 N N . ALA A 1 188 ? 13.980 -9.136 11.651 1.00 12.46 ? 529 ALA A N 1 ATOM 1405 C CA . ALA A 1 188 ? 12.536 -9.057 11.529 1.00 12.07 ? 529 ALA A CA 1 ATOM 1406 C C . ALA A 1 188 ? 12.152 -9.167 10.065 1.00 11.99 ? 529 ALA A C 1 ATOM 1407 O O . ALA A 1 188 ? 11.135 -9.748 9.727 1.00 12.26 ? 529 ALA A O 1 ATOM 1408 C CB . ALA A 1 188 ? 12.005 -7.780 12.146 1.00 11.51 ? 529 ALA A CB 1 ATOM 1409 N N . PHE A 1 189 ? 12.977 -8.639 9.186 1.00 11.96 ? 530 PHE A N 1 ATOM 1410 C CA . PHE A 1 189 ? 12.663 -8.706 7.773 1.00 12.45 ? 530 PHE A CA 1 ATOM 1411 C C . PHE A 1 189 ? 12.937 -10.137 7.275 1.00 13.25 ? 530 PHE A C 1 ATOM 1412 O O . PHE A 1 189 ? 12.100 -10.759 6.602 1.00 13.31 ? 530 PHE A O 1 ATOM 1413 C CB . PHE A 1 189 ? 13.453 -7.628 7.001 1.00 12.19 ? 530 PHE A CB 1 ATOM 1414 C CG . PHE A 1 189 ? 13.167 -7.594 5.539 1.00 11.16 ? 530 PHE A CG 1 ATOM 1415 C CD1 . PHE A 1 189 ? 11.948 -7.101 5.064 1.00 10.39 ? 530 PHE A CD1 1 ATOM 1416 C CD2 . PHE A 1 189 ? 14.105 -8.051 4.636 1.00 9.54 ? 530 PHE A CD2 1 ATOM 1417 C CE1 . PHE A 1 189 ? 11.674 -7.071 3.709 1.00 9.51 ? 530 PHE A CE1 1 ATOM 1418 C CE2 . PHE A 1 189 ? 13.841 -8.023 3.269 1.00 10.49 ? 530 PHE A CE2 1 ATOM 1419 C CZ . PHE A 1 189 ? 12.619 -7.538 2.805 1.00 9.93 ? 530 PHE A CZ 1 ATOM 1420 N N . ARG A 1 190 ? 14.096 -10.678 7.640 1.00 14.00 ? 531 ARG A N 1 ATOM 1421 C CA . ARG A 1 190 ? 14.402 -12.057 7.295 1.00 14.54 ? 531 ARG A CA 1 ATOM 1422 C C . ARG A 1 190 ? 13.205 -12.869 7.736 1.00 15.06 ? 531 ARG A C 1 ATOM 1423 O O . ARG A 1 190 ? 12.717 -13.708 7.006 1.00 15.93 ? 531 ARG A O 1 ATOM 1424 C CB . ARG A 1 190 ? 15.684 -12.548 7.979 1.00 14.09 ? 531 ARG A CB 1 ATOM 1425 C CG . ARG A 1 190 ? 15.954 -14.019 7.796 1.00 13.42 ? 531 ARG A CG 1 ATOM 1426 C CD . ARG A 1 190 ? 17.230 -14.454 8.469 1.00 13.78 ? 531 ARG A CD 1 ATOM 1427 N NE . ARG A 1 190 ? 17.639 -15.794 8.047 1.00 14.25 ? 531 ARG A NE 1 ATOM 1428 C CZ . ARG A 1 190 ? 18.857 -16.307 8.211 1.00 14.65 ? 531 ARG A CZ 1 ATOM 1429 N NH1 . ARG A 1 190 ? 19.801 -15.598 8.815 1.00 15.99 ? 531 ARG A NH1 1 ATOM 1430 N NH2 . ARG A 1 190 ? 19.135 -17.532 7.773 1.00 13.98 ? 531 ARG A NH2 1 ATOM 1431 N N . CYS A 1 191 ? 12.707 -12.575 8.924 1.00 15.72 ? 532 CYS A N 1 ATOM 1432 C CA . CYS A 1 191 ? 11.586 -13.311 9.507 1.00 16.47 ? 532 CYS A CA 1 ATOM 1433 C C . CYS A 1 191 ? 10.410 -13.458 8.520 1.00 17.13 ? 532 CYS A C 1 ATOM 1434 O O . CYS A 1 191 ? 9.764 -14.502 8.468 1.00 17.15 ? 532 CYS A O 1 ATOM 1435 C CB . CYS A 1 191 ? 11.156 -12.605 10.794 1.00 16.10 ? 532 CYS A CB 1 ATOM 1436 S SG . CYS A 1 191 ? 9.771 -13.295 11.592 1.00 15.39 ? 532 CYS A SG 1 ATOM 1437 N N . LEU A 1 192 ? 10.152 -12.404 7.745 1.00 17.68 ? 533 LEU A N 1 ATOM 1438 C CA . LEU A 1 192 ? 9.124 -12.427 6.722 1.00 18.64 ? 533 LEU A CA 1 ATOM 1439 C C . LEU A 1 192 ? 9.635 -13.090 5.429 1.00 19.48 ? 533 LEU A C 1 ATOM 1440 O O . LEU A 1 192 ? 8.908 -13.830 4.760 1.00 19.90 ? 533 LEU A O 1 ATOM 1441 C CB . LEU A 1 192 ? 8.645 -11.000 6.434 1.00 18.49 ? 533 LEU A CB 1 ATOM 1442 C CG . LEU A 1 192 ? 7.732 -10.810 5.220 1.00 18.28 ? 533 LEU A CG 1 ATOM 1443 C CD1 . LEU A 1 192 ? 6.285 -11.203 5.533 1.00 15.74 ? 533 LEU A CD1 1 ATOM 1444 C CD2 . LEU A 1 192 ? 7.826 -9.363 4.707 1.00 19.55 ? 533 LEU A CD2 1 ATOM 1445 N N . ALA A 1 193 ? 10.890 -12.814 5.090 1.00 20.12 ? 534 ALA A N 1 ATOM 1446 C CA . ALA A 1 193 ? 11.490 -13.287 3.848 1.00 20.56 ? 534 ALA A CA 1 ATOM 1447 C C . ALA A 1 193 ? 11.487 -14.803 3.770 1.00 20.81 ? 534 ALA A C 1 ATOM 1448 O O . ALA A 1 193 ? 11.249 -15.385 2.708 1.00 20.98 ? 534 ALA A O 1 ATOM 1449 C CB . ALA A 1 193 ? 12.913 -12.762 3.735 1.00 20.88 ? 534 ALA A CB 1 ATOM 1450 N N . GLU A 1 194 ? 11.764 -15.437 4.904 1.00 21.06 ? 535 GLU A N 1 ATOM 1451 C CA . GLU A 1 194 ? 11.730 -16.895 5.010 1.00 21.25 ? 535 GLU A CA 1 ATOM 1452 C C . GLU A 1 194 ? 10.288 -17.416 5.204 1.00 21.16 ? 535 GLU A C 1 ATOM 1453 O O . GLU A 1 194 ? 10.083 -18.600 5.465 1.00 21.20 ? 535 GLU A O 1 ATOM 1454 C CB . GLU A 1 194 ? 12.658 -17.370 6.139 1.00 20.98 ? 535 GLU A CB 1 ATOM 1455 C CG . GLU A 1 194 ? 14.143 -17.064 5.911 1.00 20.46 ? 535 GLU A CG 1 ATOM 1456 C CD . GLU A 1 194 ? 15.004 -17.457 7.096 1.00 21.29 ? 535 GLU A CD 1 ATOM 1457 O OE1 . GLU A 1 194 ? 14.546 -17.315 8.249 1.00 24.72 ? 535 GLU A OE1 1 ATOM 1458 O OE2 . GLU A 1 194 ? 16.142 -17.917 6.895 1.00 20.13 ? 535 GLU A OE2 1 ATOM 1459 N N . ASP A 1 195 ? 9.296 -16.533 5.061 1.00 20.81 ? 536 ASP A N 1 ATOM 1460 C CA . ASP A 1 195 ? 7.887 -16.929 5.158 1.00 20.68 ? 536 ASP A CA 1 ATOM 1461 C C . ASP A 1 195 ? 7.592 -17.545 6.529 1.00 19.72 ? 536 ASP A C 1 ATOM 1462 O O . ASP A 1 195 ? 6.622 -18.291 6.694 1.00 19.48 ? 536 ASP A O 1 ATOM 1463 C CB . ASP A 1 195 ? 7.491 -17.916 4.038 1.00 21.08 ? 536 ASP A CB 1 ATOM 1464 C CG . ASP A 1 195 ? 7.126 -17.223 2.719 1.00 22.87 ? 536 ASP A CG 1 ATOM 1465 O OD1 . ASP A 1 195 ? 6.304 -16.276 2.710 1.00 22.30 ? 536 ASP A OD1 1 ATOM 1466 O OD2 . ASP A 1 195 ? 7.656 -17.657 1.668 1.00 26.04 ? 536 ASP A OD2 1 ATOM 1467 N N . VAL A 1 196 ? 8.458 -17.247 7.498 1.00 18.48 ? 537 VAL A N 1 ATOM 1468 C CA . VAL A 1 196 ? 8.194 -17.567 8.905 1.00 17.16 ? 537 VAL A CA 1 ATOM 1469 C C . VAL A 1 196 ? 7.022 -16.707 9.418 1.00 16.58 ? 537 VAL A C 1 ATOM 1470 O O . VAL A 1 196 ? 6.183 -17.175 10.192 1.00 16.09 ? 537 VAL A O 1 ATOM 1471 C CB . VAL A 1 196 ? 9.477 -17.410 9.779 1.00 16.79 ? 537 VAL A CB 1 ATOM 1472 C CG1 . VAL A 1 196 ? 9.133 -17.219 11.249 1.00 16.36 ? 537 VAL A CG1 1 ATOM 1473 C CG2 . VAL A 1 196 ? 10.418 -18.605 9.583 1.00 15.26 ? 537 VAL A CG2 1 ATOM 1474 N N . GLY A 1 197 ? 6.953 -15.462 8.953 1.00 16.20 ? 538 GLY A N 1 ATOM 1475 C CA . GLY A 1 197 ? 5.843 -14.570 9.307 1.00 16.11 ? 538 GLY A CA 1 ATOM 1476 C C . GLY A 1 197 ? 5.028 -14.023 8.142 1.00 15.44 ? 538 GLY A C 1 ATOM 1477 O O . GLY A 1 197 ? 5.476 -14.033 6.990 1.00 15.40 ? 538 GLY A O 1 ATOM 1478 N N . ASP A 1 198 ? 3.832 -13.535 8.460 1.00 14.96 ? 539 ASP A N 1 ATOM 1479 C CA . ASP A 1 198 ? 2.955 -12.873 7.484 1.00 14.81 ? 539 ASP A CA 1 ATOM 1480 C C . ASP A 1 198 ? 3.196 -11.371 7.337 1.00 14.34 ? 539 ASP A C 1 ATOM 1481 O O . ASP A 1 198 ? 2.910 -10.821 6.277 1.00 14.34 ? 539 ASP A O 1 ATOM 1482 C CB . ASP A 1 198 ? 1.493 -13.151 7.820 1.00 14.71 ? 539 ASP A CB 1 ATOM 1483 C CG . ASP A 1 198 ? 1.185 -14.642 7.822 1.00 16.26 ? 539 ASP A CG 1 ATOM 1484 O OD1 . ASP A 1 198 ? 1.652 -15.317 6.868 1.00 18.88 ? 539 ASP A OD1 1 ATOM 1485 O OD2 . ASP A 1 198 ? 0.516 -15.145 8.769 1.00 15.15 ? 539 ASP A OD2 1 ATOM 1486 N N . VAL A 1 199 ? 3.722 -10.728 8.391 1.00 13.99 ? 540 VAL A N 1 ATOM 1487 C CA . VAL A 1 199 ? 4.054 -9.295 8.405 1.00 13.59 ? 540 VAL A CA 1 ATOM 1488 C C . VAL A 1 199 ? 5.295 -8.966 9.242 1.00 13.91 ? 540 VAL A C 1 ATOM 1489 O O . VAL A 1 199 ? 5.593 -9.608 10.245 1.00 14.74 ? 540 VAL A O 1 ATOM 1490 C CB . VAL A 1 199 ? 2.868 -8.402 8.850 1.00 13.57 ? 540 VAL A CB 1 ATOM 1491 C CG1 . VAL A 1 199 ? 2.472 -8.667 10.314 1.00 13.37 ? 540 VAL A CG1 1 ATOM 1492 C CG2 . VAL A 1 199 ? 3.181 -6.908 8.614 1.00 13.75 ? 540 VAL A CG2 1 ATOM 1493 N N . ALA A 1 200 ? 6.020 -7.951 8.802 1.00 13.89 ? 541 ALA A N 1 ATOM 1494 C CA . ALA A 1 200 ? 7.238 -7.533 9.431 1.00 13.18 ? 541 ALA A CA 1 ATOM 1495 C C . ALA A 1 200 ? 7.130 -6.038 9.565 1.00 13.47 ? 541 ALA A C 1 ATOM 1496 O O . ALA A 1 200 ? 6.831 -5.324 8.581 1.00 12.90 ? 541 ALA A O 1 ATOM 1497 C CB . ALA A 1 200 ? 8.408 -7.894 8.584 1.00 13.06 ? 541 ALA A CB 1 ATOM 1498 N N . PHE A 1 201 ? 7.339 -5.580 10.805 1.00 13.74 ? 542 PHE A N 1 ATOM 1499 C CA . PHE A 1 201 ? 7.328 -4.168 11.144 1.00 13.62 ? 542 PHE A CA 1 ATOM 1500 C C . PHE A 1 201 ? 8.744 -3.637 11.190 1.00 13.91 ? 542 PHE A C 1 ATOM 1501 O O . PHE A 1 201 ? 9.416 -3.718 12.225 1.00 14.19 ? 542 PHE A O 1 ATOM 1502 C CB . PHE A 1 201 ? 6.638 -3.954 12.470 1.00 13.31 ? 542 PHE A CB 1 ATOM 1503 C CG . PHE A 1 201 ? 5.213 -4.429 12.490 1.00 14.13 ? 542 PHE A CG 1 ATOM 1504 C CD1 . PHE A 1 201 ? 4.223 -3.746 11.767 1.00 13.30 ? 542 PHE A CD1 1 ATOM 1505 C CD2 . PHE A 1 201 ? 4.851 -5.552 13.246 1.00 13.75 ? 542 PHE A CD2 1 ATOM 1506 C CE1 . PHE A 1 201 ? 2.898 -4.168 11.789 1.00 12.24 ? 542 PHE A CE1 1 ATOM 1507 C CE2 . PHE A 1 201 ? 3.537 -5.982 13.279 1.00 13.85 ? 542 PHE A CE2 1 ATOM 1508 C CZ . PHE A 1 201 ? 2.551 -5.278 12.546 1.00 13.88 ? 542 PHE A CZ 1 ATOM 1509 N N . VAL A 1 202 ? 9.199 -3.122 10.047 1.00 13.82 ? 543 VAL A N 1 ATOM 1510 C CA . VAL A 1 202 ? 10.599 -2.648 9.986 1.00 13.86 ? 543 VAL A CA 1 ATOM 1511 C C . VAL A 1 202 ? 10.517 -1.188 9.519 1.00 14.67 ? 543 VAL A C 1 ATOM 1512 O O . VAL A 1 202 ? 9.516 -0.506 9.770 1.00 14.89 ? 543 VAL A O 1 ATOM 1513 C CB . VAL A 1 202 ? 11.505 -3.501 9.073 1.00 13.92 ? 543 VAL A CB 1 ATOM 1514 C CG1 . VAL A 1 202 ? 11.609 -4.919 9.619 1.00 12.28 ? 543 VAL A CG1 1 ATOM 1515 C CG2 . VAL A 1 202 ? 11.012 -3.489 7.584 1.00 13.33 ? 543 VAL A CG2 1 ATOM 1516 N N . LYS A 1 203 ? 11.570 -0.692 8.874 1.00 15.35 ? 544 LYS A N 1 ATOM 1517 C CA . LYS A 1 203 ? 11.496 0.606 8.206 1.00 15.87 ? 544 LYS A CA 1 ATOM 1518 C C . LYS A 1 203 ? 11.662 0.439 6.685 1.00 16.50 ? 544 LYS A C 1 ATOM 1519 O O . LYS A 1 203 ? 11.957 -0.670 6.180 1.00 16.64 ? 544 LYS A O 1 ATOM 1520 C CB . LYS A 1 203 ? 12.542 1.577 8.765 1.00 15.83 ? 544 LYS A CB 1 ATOM 1521 C CG . LYS A 1 203 ? 13.953 1.174 8.445 1.00 15.38 ? 544 LYS A CG 1 ATOM 1522 C CD . LYS A 1 203 ? 14.983 2.054 9.094 1.00 14.77 ? 544 LYS A CD 1 ATOM 1523 C CE . LYS A 1 203 ? 16.269 1.246 9.156 1.00 15.62 ? 544 LYS A CE 1 ATOM 1524 N NZ . LYS A 1 203 ? 17.436 2.025 9.595 1.00 15.07 ? 544 LYS A NZ 1 ATOM 1525 N N . ASN A 1 204 ? 11.470 1.543 5.971 1.00 16.47 ? 545 ASN A N 1 ATOM 1526 C CA . ASN A 1 204 ? 11.597 1.564 4.536 1.00 16.98 ? 545 ASN A CA 1 ATOM 1527 C C . ASN A 1 204 ? 12.963 1.107 4.025 1.00 17.21 ? 545 ASN A C 1 ATOM 1528 O O . ASN A 1 204 ? 13.060 0.300 3.097 1.00 17.72 ? 545 ASN A O 1 ATOM 1529 C CB . ASN A 1 204 ? 11.300 2.972 4.028 1.00 17.09 ? 545 ASN A CB 1 ATOM 1530 C CG . ASN A 1 204 ? 11.904 3.232 2.663 1.00 17.89 ? 545 ASN A CG 1 ATOM 1531 O OD1 . ASN A 1 204 ? 11.590 2.513 1.681 1.00 16.99 ? 545 ASN A OD1 1 ATOM 1532 N ND2 . ASN A 1 204 ? 12.795 4.263 2.589 1.00 17.51 ? 545 ASN A ND2 1 ATOM 1533 N N . ASP A 1 205 ? 14.021 1.631 4.627 1.00 17.38 ? 546 ASP A N 1 ATOM 1534 C CA . ASP A 1 205 ? 15.369 1.371 4.155 1.00 17.38 ? 546 ASP A CA 1 ATOM 1535 C C . ASP A 1 205 ? 15.655 -0.113 4.116 1.00 17.80 ? 546 ASP A C 1 ATOM 1536 O O . ASP A 1 205 ? 16.309 -0.593 3.203 1.00 18.10 ? 546 ASP A O 1 ATOM 1537 C CB . ASP A 1 205 ? 16.370 2.095 5.042 1.00 17.35 ? 546 ASP A CB 1 ATOM 1538 C CG . ASP A 1 205 ? 16.000 3.558 5.267 1.00 18.32 ? 546 ASP A CG 1 ATOM 1539 O OD1 . ASP A 1 205 ? 15.029 3.865 6.002 1.00 18.32 ? 546 ASP A OD1 1 ATOM 1540 O OD2 . ASP A 1 205 ? 16.695 4.413 4.695 1.00 20.54 ? 546 ASP A OD2 1 ATOM 1541 N N . THR A 1 206 ? 15.134 -0.841 5.096 1.00 18.59 ? 547 THR A N 1 ATOM 1542 C CA . THR A 1 206 ? 15.350 -2.276 5.214 1.00 19.43 ? 547 THR A CA 1 ATOM 1543 C C . THR A 1 206 ? 14.963 -3.074 3.975 1.00 20.54 ? 547 THR A C 1 ATOM 1544 O O . THR A 1 206 ? 15.705 -3.973 3.567 1.00 20.31 ? 547 THR A O 1 ATOM 1545 C CB . THR A 1 206 ? 14.640 -2.808 6.441 1.00 19.11 ? 547 THR A CB 1 ATOM 1546 O OG1 . THR A 1 206 ? 15.093 -2.050 7.561 1.00 19.99 ? 547 THR A OG1 1 ATOM 1547 C CG2 . THR A 1 206 ? 14.948 -4.299 6.685 1.00 18.15 ? 547 THR A CG2 1 ATOM 1548 N N . VAL A 1 207 ? 13.824 -2.751 3.369 1.00 22.20 ? 548 VAL A N 1 ATOM 1549 C CA . VAL A 1 207 ? 13.355 -3.525 2.213 1.00 23.95 ? 548 VAL A CA 1 ATOM 1550 C C . VAL A 1 207 ? 14.319 -3.390 1.034 1.00 25.28 ? 548 VAL A C 1 ATOM 1551 O O . VAL A 1 207 ? 14.785 -4.392 0.489 1.00 24.94 ? 548 VAL A O 1 ATOM 1552 C CB . VAL A 1 207 ? 11.946 -3.137 1.789 1.00 23.70 ? 548 VAL A CB 1 ATOM 1553 C CG1 . VAL A 1 207 ? 11.530 -3.934 0.581 1.00 23.56 ? 548 VAL A CG1 1 ATOM 1554 C CG2 . VAL A 1 207 ? 10.988 -3.405 2.915 1.00 24.01 ? 548 VAL A CG2 1 ATOM 1555 N N . TRP A 1 208 ? 14.625 -2.139 0.687 1.00 27.12 ? 549 TRP A N 1 ATOM 1556 C CA . TRP A 1 208 ? 15.582 -1.779 -0.369 1.00 28.74 ? 549 TRP A CA 1 ATOM 1557 C C . TRP A 1 208 ? 16.976 -2.364 -0.177 1.00 29.23 ? 549 TRP A C 1 ATOM 1558 O O . TRP A 1 208 ? 17.523 -2.996 -1.079 1.00 29.77 ? 549 TRP A O 1 ATOM 1559 C CB . TRP A 1 208 ? 15.679 -0.259 -0.459 1.00 29.72 ? 549 TRP A CB 1 ATOM 1560 C CG . TRP A 1 208 ? 14.423 0.348 -0.956 1.00 30.89 ? 549 TRP A CG 1 ATOM 1561 C CD1 . TRP A 1 208 ? 13.296 0.629 -0.227 1.00 31.69 ? 549 TRP A CD1 1 ATOM 1562 C CD2 . TRP A 1 208 ? 14.142 0.735 -2.303 1.00 32.03 ? 549 TRP A CD2 1 ATOM 1563 N NE1 . TRP A 1 208 ? 12.335 1.184 -1.041 1.00 32.42 ? 549 TRP A NE1 1 ATOM 1564 C CE2 . TRP A 1 208 ? 12.826 1.259 -2.321 1.00 32.54 ? 549 TRP A CE2 1 ATOM 1565 C CE3 . TRP A 1 208 ? 14.880 0.708 -3.494 1.00 32.18 ? 549 TRP A CE3 1 ATOM 1566 C CZ2 . TRP A 1 208 ? 12.226 1.738 -3.491 1.00 31.79 ? 549 TRP A CZ2 1 ATOM 1567 C CZ3 . TRP A 1 208 ? 14.292 1.188 -4.652 1.00 31.86 ? 549 TRP A CZ3 1 ATOM 1568 C CH2 . TRP A 1 208 ? 12.973 1.701 -4.642 1.00 31.81 ? 549 TRP A CH2 1 ATOM 1569 N N . GLU A 1 209 ? 17.529 -2.140 1.008 1.00 29.85 ? 550 GLU A N 1 ATOM 1570 C CA . GLU A 1 209 ? 18.830 -2.659 1.426 1.00 30.36 ? 550 GLU A CA 1 ATOM 1571 C C . GLU A 1 209 ? 19.026 -4.169 1.336 1.00 30.27 ? 550 GLU A C 1 ATOM 1572 O O . GLU A 1 209 ? 20.155 -4.632 1.220 1.00 30.38 ? 550 GLU A O 1 ATOM 1573 C CB . GLU A 1 209 ? 19.107 -2.219 2.873 1.00 30.55 ? 550 GLU A CB 1 ATOM 1574 C CG . GLU A 1 209 ? 19.803 -0.878 2.986 1.00 32.43 ? 550 GLU A CG 1 ATOM 1575 C CD . GLU A 1 209 ? 19.708 -0.271 4.373 1.00 35.53 ? 550 GLU A CD 1 ATOM 1576 O OE1 . GLU A 1 209 ? 20.166 -0.891 5.368 1.00 36.17 ? 550 GLU A OE1 1 ATOM 1577 O OE2 . GLU A 1 209 ? 19.181 0.858 4.456 1.00 37.80 ? 550 GLU A OE2 1 ATOM 1578 N N . ASN A 1 210 ? 17.949 -4.941 1.434 1.00 30.73 ? 551 ASN A N 1 ATOM 1579 C CA . ASN A 1 210 ? 18.078 -6.405 1.510 1.00 31.15 ? 551 ASN A CA 1 ATOM 1580 C C . ASN A 1 210 ? 17.524 -7.132 0.302 1.00 31.38 ? 551 ASN A C 1 ATOM 1581 O O . ASN A 1 210 ? 17.565 -8.356 0.222 1.00 31.10 ? 551 ASN A O 1 ATOM 1582 C CB . ASN A 1 210 ? 17.455 -6.925 2.802 1.00 31.09 ? 551 ASN A CB 1 ATOM 1583 C CG . ASN A 1 210 ? 18.221 -6.468 4.026 1.00 31.18 ? 551 ASN A CG 1 ATOM 1584 O OD1 . ASN A 1 210 ? 19.363 -6.867 4.240 1.00 31.35 ? 551 ASN A OD1 1 ATOM 1585 N ND2 . ASN A 1 210 ? 17.606 -5.611 4.822 1.00 31.51 ? 551 ASN A ND2 1 ATOM 1586 N N . THR A 1 211 ? 17.035 -6.344 -0.652 1.00 32.06 ? 552 THR A N 1 ATOM 1587 C CA . THR A 1 211 ? 16.409 -6.856 -1.862 1.00 32.14 ? 552 THR A CA 1 ATOM 1588 C C . THR A 1 211 ? 17.169 -6.391 -3.087 1.00 32.56 ? 552 THR A C 1 ATOM 1589 O O . THR A 1 211 ? 17.945 -5.423 -3.021 1.00 32.33 ? 552 THR A O 1 ATOM 1590 C CB . THR A 1 211 ? 14.966 -6.348 -1.992 1.00 32.17 ? 552 THR A CB 1 ATOM 1591 O OG1 . THR A 1 211 ? 14.960 -4.914 -1.927 1.00 30.86 ? 552 THR A OG1 1 ATOM 1592 C CG2 . THR A 1 211 ? 14.094 -6.932 -0.893 1.00 31.37 ? 552 THR A CG2 1 ATOM 1593 N N . ASN A 1 212 ? 16.909 -7.088 -4.196 1.00 33.00 ? 553 ASN A N 1 ATOM 1594 C CA . ASN A 1 212 ? 17.511 -6.828 -5.506 1.00 33.64 ? 553 ASN A CA 1 ATOM 1595 C C . ASN A 1 212 ? 19.020 -6.915 -5.525 1.00 34.20 ? 553 ASN A C 1 ATOM 1596 O O . ASN A 1 212 ? 19.682 -6.071 -6.122 1.00 34.07 ? 553 ASN A O 1 ATOM 1597 C CB . ASN A 1 212 ? 17.035 -5.504 -6.095 1.00 33.67 ? 553 ASN A CB 1 ATOM 1598 C CG . ASN A 1 212 ? 15.605 -5.568 -6.596 1.00 34.12 ? 553 ASN A CG 1 ATOM 1599 O OD1 . ASN A 1 212 ? 14.793 -6.384 -6.138 1.00 34.01 ? 553 ASN A OD1 1 ATOM 1600 N ND2 . ASN A 1 212 ? 15.285 -4.696 -7.544 1.00 35.46 ? 553 ASN A ND2 1 ATOM 1601 N N . GLY A 1 213 ? 19.544 -7.954 -4.873 1.00 35.20 ? 554 GLY A N 1 ATOM 1602 C CA . GLY A 1 213 ? 20.973 -8.237 -4.847 1.00 36.10 ? 554 GLY A CA 1 ATOM 1603 C C . GLY A 1 213 ? 21.801 -7.263 -4.028 1.00 36.99 ? 554 GLY A C 1 ATOM 1604 O O . GLY A 1 213 ? 23.012 -7.153 -4.250 1.00 37.61 ? 554 GLY A O 1 ATOM 1605 N N . GLU A 1 214 ? 21.170 -6.565 -3.082 1.00 37.39 ? 555 GLU A N 1 ATOM 1606 C CA . GLU A 1 214 ? 21.876 -5.585 -2.248 1.00 38.18 ? 555 GLU A CA 1 ATOM 1607 C C . GLU A 1 214 ? 22.584 -6.186 -1.027 1.00 38.47 ? 555 GLU A C 1 ATOM 1608 O O . GLU A 1 214 ? 23.572 -5.624 -0.559 1.00 38.53 ? 555 GLU A O 1 ATOM 1609 C CB . GLU A 1 214 ? 20.939 -4.456 -1.792 1.00 38.31 ? 555 GLU A CB 1 ATOM 1610 C CG . GLU A 1 214 ? 20.636 -3.375 -2.831 1.00 40.31 ? 555 GLU A CG 1 ATOM 1611 C CD . GLU A 1 214 ? 21.795 -2.399 -3.048 1.00 43.18 ? 555 GLU A CD 1 ATOM 1612 O OE1 . GLU A 1 214 ? 22.181 -1.683 -2.099 1.00 43.99 ? 555 GLU A OE1 1 ATOM 1613 O OE2 . GLU A 1 214 ? 22.323 -2.341 -4.181 1.00 45.78 ? 555 GLU A OE2 1 ATOM 1614 N N . SER A 1 215 ? 22.092 -7.314 -0.511 1.00 39.14 ? 556 SER A N 1 ATOM 1615 C CA . SER A 1 215 ? 22.658 -7.911 0.711 1.00 39.80 ? 556 SER A CA 1 ATOM 1616 C C . SER A 1 215 ? 23.722 -8.991 0.462 1.00 40.57 ? 556 SER A C 1 ATOM 1617 O O . SER A 1 215 ? 24.661 -9.140 1.273 1.00 40.84 ? 556 SER A O 1 ATOM 1618 C CB . SER A 1 215 ? 21.556 -8.473 1.612 1.00 39.89 ? 556 SER A CB 1 ATOM 1619 O OG . SER A 1 215 ? 22.068 -8.922 2.862 1.00 39.03 ? 556 SER A OG 1 ATOM 1620 N N . THR A 1 216 ? 23.568 -9.736 -0.641 1.00 40.79 ? 557 THR A N 1 ATOM 1621 C CA . THR A 1 216 ? 24.438 -10.887 -1.010 1.00 41.14 ? 557 THR A CA 1 ATOM 1622 C C . THR A 1 216 ? 24.355 -12.066 -0.026 1.00 41.07 ? 557 THR A C 1 ATOM 1623 O O . THR A 1 216 ? 24.821 -13.176 -0.327 1.00 41.30 ? 557 THR A O 1 ATOM 1624 C CB . THR A 1 216 ? 25.945 -10.507 -1.274 1.00 41.24 ? 557 THR A CB 1 ATOM 1625 O OG1 . THR A 1 216 ? 26.644 -10.322 -0.030 1.00 41.60 ? 557 THR A OG1 1 ATOM 1626 C CG2 . THR A 1 216 ? 26.073 -9.255 -2.163 1.00 41.33 ? 557 THR A CG2 1 ATOM 1627 N N . ALA A 1 217 ? 23.753 -11.813 1.135 1.00 40.76 ? 558 ALA A N 1 ATOM 1628 C CA . ALA A 1 217 ? 23.586 -12.808 2.174 1.00 40.47 ? 558 ALA A CA 1 ATOM 1629 C C . ALA A 1 217 ? 22.708 -13.933 1.667 1.00 40.48 ? 558 ALA A C 1 ATOM 1630 O O . ALA A 1 217 ? 21.684 -13.687 1.035 1.00 40.69 ? 558 ALA A O 1 ATOM 1631 C CB . ALA A 1 217 ? 22.973 -12.176 3.407 1.00 40.54 ? 558 ALA A CB 1 ATOM 1632 N N . ASP A 1 218 ? 23.142 -15.162 1.933 1.00 40.41 ? 559 ASP A N 1 ATOM 1633 C CA . ASP A 1 218 ? 22.405 -16.396 1.630 1.00 40.09 ? 559 ASP A CA 1 ATOM 1634 C C . ASP A 1 218 ? 20.873 -16.259 1.537 1.00 39.36 ? 559 ASP A C 1 ATOM 1635 O O . ASP A 1 218 ? 20.295 -16.588 0.504 1.00 39.14 ? 559 ASP A O 1 ATOM 1636 C CB . ASP A 1 218 ? 22.773 -17.468 2.670 1.00 40.68 ? 559 ASP A CB 1 ATOM 1637 C CG . ASP A 1 218 ? 22.571 -16.978 4.106 1.00 41.40 ? 559 ASP A CG 1 ATOM 1638 O OD1 . ASP A 1 218 ? 23.359 -16.120 4.564 1.00 42.58 ? 559 ASP A OD1 1 ATOM 1639 O OD2 . ASP A 1 218 ? 21.614 -17.436 4.768 1.00 41.98 ? 559 ASP A OD2 1 ATOM 1640 N N . TRP A 1 219 ? 20.232 -15.774 2.606 1.00 38.52 ? 560 TRP A N 1 ATOM 1641 C CA . TRP A 1 219 ? 18.757 -15.682 2.681 1.00 37.95 ? 560 TRP A CA 1 ATOM 1642 C C . TRP A 1 219 ? 18.133 -14.537 1.868 1.00 37.86 ? 560 TRP A C 1 ATOM 1643 O O . TRP A 1 219 ? 16.912 -14.459 1.751 1.00 37.73 ? 560 TRP A O 1 ATOM 1644 C CB . TRP A 1 219 ? 18.293 -15.559 4.141 1.00 37.23 ? 560 TRP A CB 1 ATOM 1645 C CG . TRP A 1 219 ? 18.793 -14.308 4.810 1.00 36.42 ? 560 TRP A CG 1 ATOM 1646 C CD1 . TRP A 1 219 ? 19.953 -14.166 5.514 1.00 35.73 ? 560 TRP A CD1 1 ATOM 1647 C CD2 . TRP A 1 219 ? 18.160 -13.024 4.819 1.00 35.68 ? 560 TRP A CD2 1 ATOM 1648 N NE1 . TRP A 1 219 ? 20.081 -12.878 5.967 1.00 34.60 ? 560 TRP A NE1 1 ATOM 1649 C CE2 . TRP A 1 219 ? 18.997 -12.153 5.556 1.00 35.17 ? 560 TRP A CE2 1 ATOM 1650 C CE3 . TRP A 1 219 ? 16.966 -12.521 4.279 1.00 35.52 ? 560 TRP A CE3 1 ATOM 1651 C CZ2 . TRP A 1 219 ? 18.682 -10.802 5.764 1.00 35.64 ? 560 TRP A CZ2 1 ATOM 1652 C CZ3 . TRP A 1 219 ? 16.653 -11.178 4.485 1.00 35.33 ? 560 TRP A CZ3 1 ATOM 1653 C CH2 . TRP A 1 219 ? 17.511 -10.335 5.222 1.00 35.69 ? 560 TRP A CH2 1 ATOM 1654 N N . ALA A 1 220 ? 18.966 -13.657 1.315 1.00 37.88 ? 561 ALA A N 1 ATOM 1655 C CA . ALA A 1 220 ? 18.491 -12.408 0.698 1.00 37.86 ? 561 ALA A CA 1 ATOM 1656 C C . ALA A 1 220 ? 18.888 -12.173 -0.773 1.00 37.80 ? 561 ALA A C 1 ATOM 1657 O O . ALA A 1 220 ? 18.322 -11.282 -1.421 1.00 37.50 ? 561 ALA A O 1 ATOM 1658 C CB . ALA A 1 220 ? 18.914 -11.207 1.555 1.00 37.63 ? 561 ALA A CB 1 ATOM 1659 N N . LYS A 1 221 ? 19.850 -12.952 -1.285 1.00 37.80 ? 562 LYS A N 1 ATOM 1660 C CA . LYS A 1 221 ? 20.363 -12.767 -2.659 1.00 37.64 ? 562 LYS A CA 1 ATOM 1661 C C . LYS A 1 221 ? 19.252 -12.831 -3.715 1.00 37.14 ? 562 LYS A C 1 ATOM 1662 O O . LYS A 1 221 ? 19.220 -12.001 -4.618 1.00 37.41 ? 562 LYS A O 1 ATOM 1663 C CB . LYS A 1 221 ? 21.435 -13.800 -3.045 1.00 37.78 ? 562 LYS A CB 1 ATOM 1664 C CG . LYS A 1 221 ? 21.765 -14.890 -2.044 1.00 37.62 ? 562 LYS A CG 1 ATOM 1665 C CD . LYS A 1 221 ? 22.536 -15.996 -2.777 1.00 37.91 ? 562 LYS A CD 1 ATOM 1666 C CE . LYS A 1 221 ? 22.626 -17.292 -1.975 1.00 38.11 ? 562 LYS A CE 1 ATOM 1667 N NZ . LYS A 1 221 ? 23.009 -18.427 -2.843 1.00 36.78 ? 562 LYS A NZ 1 ATOM 1668 N N . ASN A 1 222 ? 18.361 -13.819 -3.597 1.00 36.46 ? 563 ASN A N 1 ATOM 1669 C CA . ASN A 1 222 ? 17.277 -14.027 -4.573 1.00 36.01 ? 563 ASN A CA 1 ATOM 1670 C C . ASN A 1 222 ? 15.982 -13.263 -4.324 1.00 35.55 ? 563 ASN A C 1 ATOM 1671 O O . ASN A 1 222 ? 14.984 -13.473 -5.034 1.00 35.18 ? 563 ASN A O 1 ATOM 1672 C CB . ASN A 1 222 ? 16.954 -15.512 -4.718 1.00 36.11 ? 563 ASN A CB 1 ATOM 1673 C CG . ASN A 1 222 ? 17.954 -16.226 -5.569 1.00 36.00 ? 563 ASN A CG 1 ATOM 1674 O OD1 . ASN A 1 222 ? 18.365 -15.720 -6.621 1.00 34.93 ? 563 ASN A OD1 1 ATOM 1675 N ND2 . ASN A 1 222 ? 18.375 -17.407 -5.117 1.00 36.38 ? 563 ASN A ND2 1 ATOM 1676 N N . LEU A 1 223 ? 16.003 -12.392 -3.321 1.00 34.93 ? 564 LEU A N 1 ATOM 1677 C CA . LEU A 1 223 ? 14.860 -11.571 -3.019 1.00 34.94 ? 564 LEU A CA 1 ATOM 1678 C C . LEU A 1 223 ? 14.722 -10.422 -4.017 1.00 34.95 ? 564 LEU A C 1 ATOM 1679 O O . LEU A 1 223 ? 15.704 -9.724 -4.320 1.00 35.23 ? 564 LEU A O 1 ATOM 1680 C CB . LEU A 1 223 ? 14.944 -11.035 -1.590 1.00 34.92 ? 564 LEU A CB 1 ATOM 1681 C CG . LEU A 1 223 ? 14.728 -11.999 -0.422 1.00 35.19 ? 564 LEU A CG 1 ATOM 1682 C CD1 . LEU A 1 223 ? 14.809 -11.224 0.887 1.00 35.66 ? 564 LEU A CD1 1 ATOM 1683 C CD2 . LEU A 1 223 ? 13.410 -12.759 -0.505 1.00 34.66 ? 564 LEU A CD2 1 ATOM 1684 N N . LYS A 1 224 ? 13.506 -10.244 -4.531 1.00 34.46 ? 565 LYS A N 1 ATOM 1685 C CA . LYS A 1 224 ? 13.182 -9.100 -5.370 1.00 34.48 ? 565 LYS A CA 1 ATOM 1686 C C . LYS A 1 224 ? 12.105 -8.219 -4.706 1.00 33.91 ? 565 LYS A C 1 ATOM 1687 O O . LYS A 1 224 ? 11.145 -8.737 -4.138 1.00 33.74 ? 565 LYS A O 1 ATOM 1688 C CB . LYS A 1 224 ? 12.715 -9.574 -6.756 1.00 34.86 ? 565 LYS A CB 1 ATOM 1689 C CG . LYS A 1 224 ? 13.475 -8.919 -7.916 1.00 35.55 ? 565 LYS A CG 1 ATOM 1690 C CD . LYS A 1 224 ? 12.640 -8.809 -9.199 1.00 36.79 ? 565 LYS A CD 1 ATOM 1691 C CE . LYS A 1 224 ? 13.430 -8.132 -10.347 1.00 36.22 ? 565 LYS A CE 1 ATOM 1692 N NZ . LYS A 1 224 ? 12.549 -7.505 -11.392 1.00 34.90 ? 565 LYS A NZ 1 ATOM 1693 N N . ARG A 1 225 ? 12.266 -6.899 -4.801 1.00 33.37 ? 566 ARG A N 1 ATOM 1694 C CA . ARG A 1 225 ? 11.326 -5.911 -4.231 1.00 33.17 ? 566 ARG A CA 1 ATOM 1695 C C . ARG A 1 225 ? 9.859 -6.129 -4.617 1.00 33.37 ? 566 ARG A C 1 ATOM 1696 O O . ARG A 1 225 ? 8.947 -6.078 -3.771 1.00 33.20 ? 566 ARG A O 1 ATOM 1697 C CB . ARG A 1 225 ? 11.725 -4.495 -4.666 1.00 33.13 ? 566 ARG A CB 1 ATOM 1698 C CG . ARG A 1 225 ? 13.168 -4.162 -4.409 1.00 32.32 ? 566 ARG A CG 1 ATOM 1699 C CD . ARG A 1 225 ? 13.473 -2.701 -4.558 1.00 31.70 ? 566 ARG A CD 1 ATOM 1700 N NE . ARG A 1 225 ? 14.728 -2.435 -3.867 1.00 32.39 ? 566 ARG A NE 1 ATOM 1701 C CZ . ARG A 1 225 ? 15.912 -2.307 -4.455 1.00 32.14 ? 566 ARG A CZ 1 ATOM 1702 N NH1 . ARG A 1 225 ? 16.017 -2.377 -5.779 1.00 31.95 ? 566 ARG A NH1 1 ATOM 1703 N NH2 . ARG A 1 225 ? 16.994 -2.090 -3.711 1.00 31.20 ? 566 ARG A NH2 1 ATOM 1704 N N . GLU A 1 226 ? 9.646 -6.371 -5.910 1.00 33.31 ? 567 GLU A N 1 ATOM 1705 C CA . GLU A 1 226 ? 8.309 -6.498 -6.499 1.00 33.21 ? 567 GLU A CA 1 ATOM 1706 C C . GLU A 1 226 ? 7.492 -7.660 -5.945 1.00 32.57 ? 567 GLU A C 1 ATOM 1707 O O . GLU A 1 226 ? 6.312 -7.801 -6.272 1.00 33.27 ? 567 GLU A O 1 ATOM 1708 C CB . GLU A 1 226 ? 8.402 -6.563 -8.028 1.00 33.37 ? 567 GLU A CB 1 ATOM 1709 C CG . GLU A 1 226 ? 9.837 -6.734 -8.561 1.00 35.48 ? 567 GLU A CG 1 ATOM 1710 C CD . GLU A 1 226 ? 10.672 -5.435 -8.515 1.00 37.03 ? 567 GLU A CD 1 ATOM 1711 O OE1 . GLU A 1 226 ? 10.073 -4.335 -8.494 1.00 36.75 ? 567 GLU A OE1 1 ATOM 1712 O OE2 . GLU A 1 226 ? 11.927 -5.519 -8.504 1.00 37.76 ? 567 GLU A OE2 1 ATOM 1713 N N . ASP A 1 227 ? 8.120 -8.473 -5.101 1.00 31.53 ? 568 ASP A N 1 ATOM 1714 C CA . ASP A 1 227 ? 7.458 -9.581 -4.425 1.00 30.34 ? 568 ASP A CA 1 ATOM 1715 C C . ASP A 1 227 ? 6.973 -9.117 -3.066 1.00 29.47 ? 568 ASP A C 1 ATOM 1716 O O . ASP A 1 227 ? 6.390 -9.891 -2.301 1.00 28.80 ? 568 ASP A O 1 ATOM 1717 C CB . ASP A 1 227 ? 8.410 -10.774 -4.292 1.00 30.48 ? 568 ASP A CB 1 ATOM 1718 C CG . ASP A 1 227 ? 8.729 -11.401 -5.630 1.00 30.67 ? 568 ASP A CG 1 ATOM 1719 O OD1 . ASP A 1 227 ? 7.801 -11.506 -6.462 1.00 32.50 ? 568 ASP A OD1 1 ATOM 1720 O OD2 . ASP A 1 227 ? 9.892 -11.776 -5.863 1.00 29.54 ? 568 ASP A OD2 1 ATOM 1721 N N . PHE A 1 228 ? 7.209 -7.839 -2.778 1.00 28.52 ? 569 PHE A N 1 ATOM 1722 C CA . PHE A 1 228 ? 6.774 -7.266 -1.515 1.00 27.84 ? 569 PHE A CA 1 ATOM 1723 C C . PHE A 1 228 ? 5.710 -6.200 -1.698 1.00 27.89 ? 569 PHE A C 1 ATOM 1724 O O . PHE A 1 228 ? 5.423 -5.759 -2.823 1.00 28.11 ? 569 PHE A O 1 ATOM 1725 C CB . PHE A 1 228 ? 7.959 -6.736 -0.715 1.00 27.24 ? 569 PHE A CB 1 ATOM 1726 C CG . PHE A 1 228 ? 8.946 -7.797 -0.346 1.00 26.47 ? 569 PHE A CG 1 ATOM 1727 C CD1 . PHE A 1 228 ? 8.701 -8.649 0.721 1.00 25.98 ? 569 PHE A CD1 1 ATOM 1728 C CD2 . PHE A 1 228 ? 10.113 -7.953 -1.069 1.00 25.28 ? 569 PHE A CD2 1 ATOM 1729 C CE1 . PHE A 1 228 ? 9.609 -9.637 1.069 1.00 26.16 ? 569 PHE A CE1 1 ATOM 1730 C CE2 . PHE A 1 228 ? 11.018 -8.936 -0.736 1.00 26.02 ? 569 PHE A CE2 1 ATOM 1731 C CZ . PHE A 1 228 ? 10.769 -9.785 0.337 1.00 26.42 ? 569 PHE A CZ 1 ATOM 1732 N N . ARG A 1 229 ? 5.119 -5.804 -0.577 1.00 27.39 ? 570 ARG A N 1 ATOM 1733 C CA . ARG A 1 229 ? 4.047 -4.839 -0.556 1.00 26.77 ? 570 ARG A CA 1 ATOM 1734 C C . ARG A 1 229 ? 3.996 -4.238 0.832 1.00 26.14 ? 570 ARG A C 1 ATOM 1735 O O . ARG A 1 229 ? 4.225 -4.939 1.827 1.00 25.73 ? 570 ARG A O 1 ATOM 1736 C CB . ARG A 1 229 ? 2.703 -5.513 -0.885 1.00 27.08 ? 570 ARG A CB 1 ATOM 1737 C CG . ARG A 1 229 ? 2.507 -5.931 -2.341 1.00 28.43 ? 570 ARG A CG 1 ATOM 1738 C CD . ARG A 1 229 ? 2.170 -4.727 -3.233 1.00 31.76 ? 570 ARG A CD 1 ATOM 1739 N NE . ARG A 1 229 ? 2.174 -5.050 -4.661 1.00 33.57 ? 570 ARG A NE 1 ATOM 1740 C CZ . ARG A 1 229 ? 3.262 -5.022 -5.431 1.00 36.59 ? 570 ARG A CZ 1 ATOM 1741 N NH1 . ARG A 1 229 ? 4.450 -4.700 -4.919 1.00 38.27 ? 570 ARG A NH1 1 ATOM 1742 N NH2 . ARG A 1 229 ? 3.174 -5.328 -6.720 1.00 37.51 ? 570 ARG A NH2 1 ATOM 1743 N N . LEU A 1 230 ? 3.693 -2.941 0.884 1.00 25.62 ? 571 LEU A N 1 ATOM 1744 C CA . LEU A 1 230 ? 3.452 -2.224 2.122 1.00 24.96 ? 571 LEU A CA 1 ATOM 1745 C C . LEU A 1 230 ? 1.967 -2.226 2.437 1.00 25.83 ? 571 LEU A C 1 ATOM 1746 O O . LEU A 1 230 ? 1.134 -2.261 1.518 1.00 25.65 ? 571 LEU A O 1 ATOM 1747 C CB . LEU A 1 230 ? 3.919 -0.787 2.014 1.00 24.24 ? 571 LEU A CB 1 ATOM 1748 C CG . LEU A 1 230 ? 5.297 -0.520 1.445 1.00 23.29 ? 571 LEU A CG 1 ATOM 1749 C CD1 . LEU A 1 230 ? 5.457 0.957 1.261 1.00 21.81 ? 571 LEU A CD1 1 ATOM 1750 C CD2 . LEU A 1 230 ? 6.374 -1.092 2.337 1.00 22.43 ? 571 LEU A CD2 1 ATOM 1751 N N . LEU A 1 231 ? 1.662 -2.193 3.742 1.00 26.59 ? 572 LEU A N 1 ATOM 1752 C CA . LEU A 1 231 ? 0.306 -2.077 4.273 1.00 27.00 ? 572 LEU A CA 1 ATOM 1753 C C . LEU A 1 231 ? 0.062 -0.668 4.795 1.00 27.45 ? 572 LEU A C 1 ATOM 1754 O O . LEU A 1 231 ? 0.592 -0.288 5.847 1.00 27.17 ? 572 LEU A O 1 ATOM 1755 C CB . LEU A 1 231 ? 0.091 -3.049 5.431 1.00 27.03 ? 572 LEU A CB 1 ATOM 1756 C CG . LEU A 1 231 ? 0.274 -4.550 5.260 1.00 27.32 ? 572 LEU A CG 1 ATOM 1757 C CD1 . LEU A 1 231 ? -0.219 -5.281 6.533 1.00 25.73 ? 572 LEU A CD1 1 ATOM 1758 C CD2 . LEU A 1 231 ? -0.464 -5.026 4.003 1.00 27.86 ? 572 LEU A CD2 1 ATOM 1759 N N . CYS A 1 232 ? -0.753 0.088 4.054 1.00 28.18 ? 573 CYS A N 1 ATOM 1760 C CA . CYS A 1 232 ? -1.165 1.441 4.425 1.00 28.40 ? 573 CYS A CA 1 ATOM 1761 C C . CYS A 1 232 ? -2.256 1.327 5.460 1.00 28.84 ? 573 CYS A C 1 ATOM 1762 O O . CYS A 1 232 ? -2.900 0.283 5.579 1.00 28.74 ? 573 CYS A O 1 ATOM 1763 C CB . CYS A 1 232 ? -1.714 2.210 3.216 1.00 28.40 ? 573 CYS A CB 1 ATOM 1764 S SG . CYS A 1 232 ? -0.865 1.971 1.606 1.00 29.05 ? 573 CYS A SG 1 ATOM 1765 N N . LEU A 1 233 ? -2.469 2.411 6.209 1.00 29.67 ? 574 LEU A N 1 ATOM 1766 C CA . LEU A 1 233 ? -3.548 2.472 7.201 1.00 29.94 ? 574 LEU A CA 1 ATOM 1767 C C . LEU A 1 233 ? -4.911 2.710 6.534 1.00 30.31 ? 574 LEU A C 1 ATOM 1768 O O . LEU A 1 233 ? -5.950 2.537 7.170 1.00 30.09 ? 574 LEU A O 1 ATOM 1769 C CB . LEU A 1 233 ? -3.253 3.533 8.280 1.00 29.78 ? 574 LEU A CB 1 ATOM 1770 C CG . LEU A 1 233 ? -2.002 3.362 9.161 1.00 29.42 ? 574 LEU A CG 1 ATOM 1771 C CD1 . LEU A 1 233 ? -1.711 4.622 9.950 1.00 28.98 ? 574 LEU A CD1 1 ATOM 1772 C CD2 . LEU A 1 233 ? -2.115 2.168 10.110 1.00 29.93 ? 574 LEU A CD2 1 ATOM 1773 N N . ASP A 1 234 ? -4.912 3.091 5.253 1.00 30.93 ? 575 ASP A N 1 ATOM 1774 C CA . ASP A 1 234 ? -6.178 3.273 4.534 1.00 31.83 ? 575 ASP A CA 1 ATOM 1775 C C . ASP A 1 234 ? -6.753 1.942 4.029 1.00 31.97 ? 575 ASP A C 1 ATOM 1776 O O . ASP A 1 234 ? -7.704 1.924 3.238 1.00 32.30 ? 575 ASP A O 1 ATOM 1777 C CB . ASP A 1 234 ? -6.100 4.370 3.441 1.00 32.06 ? 575 ASP A CB 1 ATOM 1778 C CG . ASP A 1 234 ? -5.370 3.925 2.167 1.00 34.00 ? 575 ASP A CG 1 ATOM 1779 O OD1 . ASP A 1 234 ? -4.644 2.909 2.187 1.00 37.06 ? 575 ASP A OD1 1 ATOM 1780 O OD2 . ASP A 1 234 ? -5.515 4.614 1.130 1.00 34.69 ? 575 ASP A OD2 1 ATOM 1781 N N . GLY A 1 235 ? -6.177 0.838 4.515 1.00 31.98 ? 576 GLY A N 1 ATOM 1782 C CA . GLY A 1 235 ? -6.613 -0.517 4.175 1.00 31.55 ? 576 GLY A CA 1 ATOM 1783 C C . GLY A 1 235 ? -6.038 -1.003 2.862 1.00 31.51 ? 576 GLY A C 1 ATOM 1784 O O . GLY A 1 235 ? -6.275 -2.129 2.463 1.00 31.83 ? 576 GLY A O 1 ATOM 1785 N N . THR A 1 236 ? -5.265 -0.149 2.202 1.00 31.45 ? 577 THR A N 1 ATOM 1786 C CA . THR A 1 236 ? -4.691 -0.430 0.886 1.00 31.58 ? 577 THR A CA 1 ATOM 1787 C C . THR A 1 236 ? -3.359 -1.195 0.977 1.00 30.92 ? 577 THR A C 1 ATOM 1788 O O . THR A 1 236 ? -2.856 -1.446 2.077 1.00 30.41 ? 577 THR A O 1 ATOM 1789 C CB . THR A 1 236 ? -4.552 0.911 0.089 1.00 31.83 ? 577 THR A CB 1 ATOM 1790 O OG1 . THR A 1 236 ? -5.814 1.224 -0.513 1.00 33.18 ? 577 THR A OG1 1 ATOM 1791 C CG2 . THR A 1 236 ? -3.483 0.854 -0.999 1.00 32.62 ? 577 THR A CG2 1 ATOM 1792 N N . ARG A 1 237 ? -2.822 -1.575 -0.185 1.00 30.36 ? 578 ARG A N 1 ATOM 1793 C CA . ARG A 1 237 ? -1.518 -2.213 -0.309 1.00 29.99 ? 578 ARG A CA 1 ATOM 1794 C C . ARG A 1 237 ? -0.777 -1.526 -1.438 1.00 30.57 ? 578 ARG A C 1 ATOM 1795 O O . ARG A 1 237 ? -1.318 -1.429 -2.538 1.00 30.85 ? 578 ARG A O 1 ATOM 1796 C CB . ARG A 1 237 ? -1.673 -3.693 -0.664 1.00 29.46 ? 578 ARG A CB 1 ATOM 1797 C CG . ARG A 1 237 ? -2.022 -4.601 0.471 1.00 26.85 ? 578 ARG A CG 1 ATOM 1798 C CD . ARG A 1 237 ? -2.765 -5.795 -0.052 1.00 25.43 ? 578 ARG A CD 1 ATOM 1799 N NE . ARG A 1 237 ? -1.971 -6.679 -0.914 1.00 23.87 ? 578 ARG A NE 1 ATOM 1800 C CZ . ARG A 1 237 ? -1.367 -7.802 -0.509 1.00 22.86 ? 578 ARG A CZ 1 ATOM 1801 N NH1 . ARG A 1 237 ? -1.432 -8.188 0.766 1.00 21.22 ? 578 ARG A NH1 1 ATOM 1802 N NH2 . ARG A 1 237 ? -0.688 -8.545 -1.384 1.00 22.60 ? 578 ARG A NH2 1 ATOM 1803 N N . LYS A 1 238 ? 0.456 -1.081 -1.189 1.00 30.98 ? 579 LYS A N 1 ATOM 1804 C CA . LYS A 1 238 ? 1.256 -0.375 -2.214 1.00 31.62 ? 579 LYS A CA 1 ATOM 1805 C C . LYS A 1 238 ? 2.647 -1.000 -2.464 1.00 31.15 ? 579 LYS A C 1 ATOM 1806 O O . LYS A 1 238 ? 3.145 -1.727 -1.616 1.00 31.19 ? 579 LYS A O 1 ATOM 1807 C CB . LYS A 1 238 ? 1.370 1.117 -1.849 1.00 32.02 ? 579 LYS A CB 1 ATOM 1808 C CG . LYS A 1 238 ? 0.058 1.903 -2.061 1.00 32.81 ? 579 LYS A CG 1 ATOM 1809 C CD . LYS A 1 238 ? 0.117 3.352 -1.545 1.00 33.02 ? 579 LYS A CD 1 ATOM 1810 C CE . LYS A 1 238 ? -1.002 4.226 -2.136 1.00 34.91 ? 579 LYS A CE 1 ATOM 1811 N NZ . LYS A 1 238 ? -2.237 3.420 -2.465 1.00 37.35 ? 579 LYS A NZ 1 ATOM 1812 N N . PRO A 1 239 ? 3.257 -0.758 -3.650 1.00 31.02 ? 580 PRO A N 1 ATOM 1813 C CA . PRO A 1 239 ? 4.669 -1.141 -3.897 1.00 30.77 ? 580 PRO A CA 1 ATOM 1814 C C . PRO A 1 239 ? 5.651 -0.431 -2.973 1.00 30.78 ? 580 PRO A C 1 ATOM 1815 O O . PRO A 1 239 ? 5.347 0.644 -2.462 1.00 31.02 ? 580 PRO A O 1 ATOM 1816 C CB . PRO A 1 239 ? 4.907 -0.702 -5.339 1.00 30.44 ? 580 PRO A CB 1 ATOM 1817 C CG . PRO A 1 239 ? 3.533 -0.710 -5.943 1.00 31.10 ? 580 PRO A CG 1 ATOM 1818 C CD . PRO A 1 239 ? 2.643 -0.182 -4.860 1.00 30.70 ? 580 PRO A CD 1 ATOM 1819 N N . VAL A 1 240 ? 6.823 -1.025 -2.768 1.00 30.85 ? 581 VAL A N 1 ATOM 1820 C CA . VAL A 1 240 ? 7.810 -0.487 -1.817 1.00 30.82 ? 581 VAL A CA 1 ATOM 1821 C C . VAL A 1 240 ? 8.350 0.876 -2.258 1.00 30.69 ? 581 VAL A C 1 ATOM 1822 O O . VAL A 1 240 ? 9.157 1.494 -1.560 1.00 31.07 ? 581 VAL A O 1 ATOM 1823 C CB . VAL A 1 240 ? 9.005 -1.468 -1.559 1.00 30.82 ? 581 VAL A CB 1 ATOM 1824 C CG1 . VAL A 1 240 ? 8.507 -2.861 -1.179 1.00 30.41 ? 581 VAL A CG1 1 ATOM 1825 C CG2 . VAL A 1 240 ? 9.944 -1.530 -2.759 1.00 30.73 ? 581 VAL A CG2 1 ATOM 1826 N N . THR A 1 241 ? 7.899 1.330 -3.422 1.00 30.37 ? 582 THR A N 1 ATOM 1827 C CA . THR A 1 241 ? 8.341 2.593 -3.986 1.00 29.90 ? 582 THR A CA 1 ATOM 1828 C C . THR A 1 241 ? 7.492 3.745 -3.437 1.00 29.86 ? 582 THR A C 1 ATOM 1829 O O . THR A 1 241 ? 7.982 4.858 -3.265 1.00 29.66 ? 582 THR A O 1 ATOM 1830 C CB . THR A 1 241 ? 8.353 2.548 -5.542 1.00 29.76 ? 582 THR A CB 1 ATOM 1831 O OG1 . THR A 1 241 ? 7.154 1.943 -6.028 1.00 29.12 ? 582 THR A OG1 1 ATOM 1832 C CG2 . THR A 1 241 ? 9.520 1.719 -6.043 1.00 29.78 ? 582 THR A CG2 1 ATOM 1833 N N . GLU A 1 242 ? 6.228 3.458 -3.131 1.00 29.91 ? 583 GLU A N 1 ATOM 1834 C CA . GLU A 1 242 ? 5.328 4.453 -2.544 1.00 29.88 ? 583 GLU A CA 1 ATOM 1835 C C . GLU A 1 242 ? 5.429 4.539 -1.038 1.00 29.73 ? 583 GLU A C 1 ATOM 1836 O O . GLU A 1 242 ? 4.421 4.630 -0.368 1.00 29.70 ? 583 GLU A O 1 ATOM 1837 C CB . GLU A 1 242 ? 3.867 4.167 -2.923 1.00 30.16 ? 583 GLU A CB 1 ATOM 1838 C CG . GLU A 1 242 ? 3.351 5.006 -4.072 1.00 29.77 ? 583 GLU A CG 1 ATOM 1839 C CD . GLU A 1 242 ? 4.314 4.974 -5.200 1.00 30.26 ? 583 GLU A CD 1 ATOM 1840 O OE1 . GLU A 1 242 ? 4.419 3.907 -5.833 1.00 31.12 ? 583 GLU A OE1 1 ATOM 1841 O OE2 . GLU A 1 242 ? 4.999 5.995 -5.417 1.00 31.68 ? 583 GLU A OE2 1 ATOM 1842 N N . ALA A 1 243 ? 6.638 4.530 -0.503 1.00 29.92 ? 584 ALA A N 1 ATOM 1843 C CA . ALA A 1 243 ? 6.809 4.549 0.940 1.00 30.09 ? 584 ALA A CA 1 ATOM 1844 C C . ALA A 1 243 ? 6.269 5.837 1.593 1.00 30.24 ? 584 ALA A C 1 ATOM 1845 O O . ALA A 1 243 ? 5.611 5.800 2.650 1.00 29.75 ? 584 ALA A O 1 ATOM 1846 C CB . ALA A 1 243 ? 8.267 4.332 1.287 1.00 30.45 ? 584 ALA A CB 1 ATOM 1847 N N . GLN A 1 244 ? 6.529 6.973 0.950 1.00 30.35 ? 585 GLN A N 1 ATOM 1848 C CA . GLN A 1 244 ? 6.126 8.269 1.502 1.00 30.41 ? 585 GLN A CA 1 ATOM 1849 C C . GLN A 1 244 ? 4.598 8.399 1.656 1.00 29.97 ? 585 GLN A C 1 ATOM 1850 O O . GLN A 1 244 ? 4.119 9.152 2.507 1.00 30.25 ? 585 GLN A O 1 ATOM 1851 C CB . GLN A 1 244 ? 6.723 9.417 0.675 1.00 30.29 ? 585 GLN A CB 1 ATOM 1852 C CG . GLN A 1 244 ? 6.754 10.762 1.390 1.00 32.47 ? 585 GLN A CG 1 ATOM 1853 C CD . GLN A 1 244 ? 7.732 10.817 2.565 1.00 34.96 ? 585 GLN A CD 1 ATOM 1854 O OE1 . GLN A 1 244 ? 7.353 11.167 3.697 1.00 36.01 ? 585 GLN A OE1 1 ATOM 1855 N NE2 . GLN A 1 244 ? 8.998 10.486 2.301 1.00 35.97 ? 585 GLN A NE2 1 ATOM 1856 N N . SER A 1 245 ? 3.840 7.652 0.854 1.00 29.40 ? 586 SER A N 1 ATOM 1857 C CA . SER A 1 245 ? 2.377 7.733 0.898 1.00 29.07 ? 586 SER A CA 1 ATOM 1858 C C . SER A 1 245 ? 1.686 6.505 1.512 1.00 28.38 ? 586 SER A C 1 ATOM 1859 O O . SER A 1 245 ? 0.477 6.346 1.382 1.00 28.44 ? 586 SER A O 1 ATOM 1860 C CB . SER A 1 245 ? 1.797 8.062 -0.497 1.00 29.40 ? 586 SER A CB 1 ATOM 1861 O OG . SER A 1 245 ? 2.165 7.106 -1.484 1.00 29.86 ? 586 SER A OG 1 ATOM 1862 N N . CYS A 1 246 ? 2.457 5.660 2.199 1.00 27.74 ? 587 CYS A N 1 ATOM 1863 C CA . CYS A 1 246 ? 1.959 4.399 2.785 1.00 26.81 ? 587 CYS A CA 1 ATOM 1864 C C . CYS A 1 246 ? 2.834 3.911 3.976 1.00 26.08 ? 587 CYS A C 1 ATOM 1865 O O . CYS A 1 246 ? 3.455 2.840 3.915 1.00 26.20 ? 587 CYS A O 1 ATOM 1866 C CB . CYS A 1 246 ? 1.869 3.334 1.687 1.00 26.63 ? 587 CYS A CB 1 ATOM 1867 S SG . CYS A 1 246 ? 1.105 1.773 2.124 1.00 27.50 ? 587 CYS A SG 1 ATOM 1868 N N . HIS A 1 247 ? 2.878 4.701 5.051 1.00 24.72 ? 588 HIS A N 1 ATOM 1869 C CA . HIS A 1 247 ? 3.707 4.382 6.221 1.00 23.81 ? 588 HIS A CA 1 ATOM 1870 C C . HIS A 1 247 ? 2.865 4.502 7.483 1.00 23.30 ? 588 HIS A C 1 ATOM 1871 O O . HIS A 1 247 ? 1.804 5.117 7.473 1.00 23.27 ? 588 HIS A O 1 ATOM 1872 C CB . HIS A 1 247 ? 4.955 5.292 6.311 1.00 23.55 ? 588 HIS A CB 1 ATOM 1873 C CG . HIS A 1 247 ? 4.644 6.763 6.299 1.00 22.93 ? 588 HIS A CG 1 ATOM 1874 N ND1 . HIS A 1 247 ? 4.794 7.549 5.174 1.00 21.84 ? 588 HIS A ND1 1 ATOM 1875 C CD2 . HIS A 1 247 ? 4.169 7.584 7.267 1.00 22.50 ? 588 HIS A CD2 1 ATOM 1876 C CE1 . HIS A 1 247 ? 4.428 8.788 5.451 1.00 21.06 ? 588 HIS A CE1 1 ATOM 1877 N NE2 . HIS A 1 247 ? 4.039 8.835 6.713 1.00 21.94 ? 588 HIS A NE2 1 ATOM 1878 N N . LEU A 1 248 ? 3.335 3.921 8.572 1.00 22.61 ? 589 LEU A N 1 ATOM 1879 C CA . LEU A 1 248 ? 2.583 3.998 9.794 1.00 22.36 ? 589 LEU A CA 1 ATOM 1880 C C . LEU A 1 248 ? 2.935 5.274 10.544 1.00 22.11 ? 589 LEU A C 1 ATOM 1881 O O . LEU A 1 248 ? 2.099 5.843 11.245 1.00 22.18 ? 589 LEU A O 1 ATOM 1882 C CB . LEU A 1 248 ? 2.824 2.758 10.656 1.00 22.34 ? 589 LEU A CB 1 ATOM 1883 C CG . LEU A 1 248 ? 2.732 1.403 9.957 1.00 22.94 ? 589 LEU A CG 1 ATOM 1884 C CD1 . LEU A 1 248 ? 2.833 0.273 10.974 1.00 23.45 ? 589 LEU A CD1 1 ATOM 1885 C CD2 . LEU A 1 248 ? 1.453 1.273 9.125 1.00 23.72 ? 589 LEU A CD2 1 ATOM 1886 N N . ALA A 1 249 ? 4.175 5.723 10.388 1.00 21.76 ? 590 ALA A N 1 ATOM 1887 C CA . ALA A 1 249 ? 4.674 6.875 11.135 1.00 21.61 ? 590 ALA A CA 1 ATOM 1888 C C . ALA A 1 249 ? 6.077 7.229 10.684 1.00 21.44 ? 590 ALA A C 1 ATOM 1889 O O . ALA A 1 249 ? 6.770 6.397 10.101 1.00 21.34 ? 590 ALA A O 1 ATOM 1890 C CB . ALA A 1 249 ? 4.662 6.588 12.629 1.00 21.29 ? 590 ALA A CB 1 ATOM 1891 N N . VAL A 1 250 ? 6.489 8.467 10.936 1.00 21.36 ? 591 VAL A N 1 ATOM 1892 C CA . VAL A 1 250 ? 7.900 8.843 10.757 1.00 21.68 ? 591 VAL A CA 1 ATOM 1893 C C . VAL A 1 250 ? 8.626 8.750 12.116 1.00 21.63 ? 591 VAL A C 1 ATOM 1894 O O . VAL A 1 250 ? 8.098 9.169 13.159 1.00 22.07 ? 591 VAL A O 1 ATOM 1895 C CB . VAL A 1 250 ? 8.108 10.206 9.968 1.00 21.65 ? 591 VAL A CB 1 ATOM 1896 C CG1 . VAL A 1 250 ? 6.942 11.181 10.167 1.00 22.57 ? 591 VAL A CG1 1 ATOM 1897 C CG2 . VAL A 1 250 ? 9.452 10.858 10.284 1.00 21.73 ? 591 VAL A CG2 1 ATOM 1898 N N . ALA A 1 251 ? 9.810 8.152 12.109 1.00 20.99 ? 592 ALA A N 1 ATOM 1899 C CA . ALA A 1 251 ? 10.469 7.824 13.345 1.00 20.57 ? 592 ALA A CA 1 ATOM 1900 C C . ALA A 1 251 ? 11.713 8.671 13.542 1.00 20.38 ? 592 ALA A C 1 ATOM 1901 O O . ALA A 1 251 ? 12.478 8.838 12.612 1.00 20.20 ? 592 ALA A O 1 ATOM 1902 C CB . ALA A 1 251 ? 10.810 6.381 13.358 1.00 20.50 ? 592 ALA A CB 1 ATOM 1903 N N . PRO A 1 252 ? 11.913 9.212 14.762 1.00 20.32 ? 593 PRO A N 1 ATOM 1904 C CA . PRO A 1 252 ? 13.124 9.979 15.036 1.00 19.79 ? 593 PRO A CA 1 ATOM 1905 C C . PRO A 1 252 ? 14.379 9.097 14.920 1.00 19.39 ? 593 PRO A C 1 ATOM 1906 O O . PRO A 1 252 ? 14.415 7.984 15.446 1.00 18.72 ? 593 PRO A O 1 ATOM 1907 C CB . PRO A 1 252 ? 12.916 10.471 16.475 1.00 19.82 ? 593 PRO A CB 1 ATOM 1908 C CG . PRO A 1 252 ? 11.925 9.531 17.084 1.00 20.51 ? 593 PRO A CG 1 ATOM 1909 C CD . PRO A 1 252 ? 11.033 9.114 15.947 1.00 20.42 ? 593 PRO A CD 1 ATOM 1910 N N . ASN A 1 253 ? 15.394 9.603 14.224 1.00 19.28 ? 594 ASN A N 1 ATOM 1911 C CA . ASN A 1 253 ? 16.650 8.869 14.031 1.00 19.18 ? 594 ASN A CA 1 ATOM 1912 C C . ASN A 1 253 ? 17.259 8.298 15.326 1.00 18.99 ? 594 ASN A C 1 ATOM 1913 O O . ASN A 1 253 ? 17.127 8.875 16.408 1.00 19.22 ? 594 ASN A O 1 ATOM 1914 C CB . ASN A 1 253 ? 17.681 9.740 13.292 1.00 18.99 ? 594 ASN A CB 1 ATOM 1915 C CG . ASN A 1 253 ? 17.264 10.060 11.864 1.00 19.51 ? 594 ASN A CG 1 ATOM 1916 O OD1 . ASN A 1 253 ? 16.475 9.344 11.263 1.00 21.37 ? 594 ASN A OD1 1 ATOM 1917 N ND2 . ASN A 1 253 ? 17.788 11.141 11.320 1.00 19.58 ? 594 ASN A ND2 1 ATOM 1918 N N . HIS A 1 254 ? 17.906 7.145 15.204 1.00 18.56 ? 595 HIS A N 1 ATOM 1919 C CA . HIS A 1 254 ? 18.657 6.572 16.299 1.00 18.18 ? 595 HIS A CA 1 ATOM 1920 C C . HIS A 1 254 ? 19.723 7.574 16.640 1.00 18.03 ? 595 HIS A C 1 ATOM 1921 O O . HIS A 1 254 ? 20.304 8.198 15.750 1.00 18.27 ? 595 HIS A O 1 ATOM 1922 C CB . HIS A 1 254 ? 19.300 5.257 15.878 1.00 17.92 ? 595 HIS A CB 1 ATOM 1923 C CG . HIS A 1 254 ? 18.318 4.154 15.653 1.00 19.36 ? 595 HIS A CG 1 ATOM 1924 N ND1 . HIS A 1 254 ? 18.667 2.823 15.720 1.00 21.63 ? 595 HIS A ND1 1 ATOM 1925 C CD2 . HIS A 1 254 ? 16.990 4.181 15.384 1.00 21.07 ? 595 HIS A CD2 1 ATOM 1926 C CE1 . HIS A 1 254 ? 17.601 2.078 15.482 1.00 21.79 ? 595 HIS A CE1 1 ATOM 1927 N NE2 . HIS A 1 254 ? 16.568 2.878 15.283 1.00 21.09 ? 595 HIS A NE2 1 ATOM 1928 N N . ALA A 1 255 ? 19.982 7.729 17.929 1.00 17.74 ? 596 ALA A N 1 ATOM 1929 C CA . ALA A 1 255 ? 21.022 8.638 18.381 1.00 17.06 ? 596 ALA A CA 1 ATOM 1930 C C . ALA A 1 255 ? 21.830 8.054 19.546 1.00 16.52 ? 596 ALA A C 1 ATOM 1931 O O . ALA A 1 255 ? 21.315 7.235 20.316 1.00 15.48 ? 596 ALA A O 1 ATOM 1932 C CB . ALA A 1 255 ? 20.395 9.978 18.766 1.00 17.03 ? 596 ALA A CB 1 ATOM 1933 N N . VAL A 1 256 ? 23.091 8.490 19.643 1.00 16.48 ? 597 VAL A N 1 ATOM 1934 C CA . VAL A 1 256 ? 23.986 8.223 20.786 1.00 16.42 ? 597 VAL A CA 1 ATOM 1935 C C . VAL A 1 256 ? 23.487 8.952 22.052 1.00 16.47 ? 597 VAL A C 1 ATOM 1936 O O . VAL A 1 256 ? 23.131 10.128 22.024 1.00 15.76 ? 597 VAL A O 1 ATOM 1937 C CB . VAL A 1 256 ? 25.469 8.637 20.457 1.00 16.39 ? 597 VAL A CB 1 ATOM 1938 C CG1 . VAL A 1 256 ? 26.410 8.367 21.622 1.00 16.92 ? 597 VAL A CG1 1 ATOM 1939 C CG2 . VAL A 1 256 ? 25.981 7.915 19.230 1.00 15.67 ? 597 VAL A CG2 1 ATOM 1940 N N . VAL A 1 257 ? 23.429 8.242 23.164 1.00 17.15 ? 598 VAL A N 1 ATOM 1941 C CA . VAL A 1 257 ? 23.053 8.894 24.414 1.00 18.34 ? 598 VAL A CA 1 ATOM 1942 C C . VAL A 1 257 ? 24.173 8.759 25.440 1.00 19.32 ? 598 VAL A C 1 ATOM 1943 O O . VAL A 1 257 ? 25.031 7.877 25.336 1.00 19.66 ? 598 VAL A O 1 ATOM 1944 C CB . VAL A 1 257 ? 21.704 8.372 25.009 1.00 18.21 ? 598 VAL A CB 1 ATOM 1945 C CG1 . VAL A 1 257 ? 20.490 8.710 24.094 1.00 17.23 ? 598 VAL A CG1 1 ATOM 1946 C CG2 . VAL A 1 257 ? 21.785 6.901 25.288 1.00 18.24 ? 598 VAL A CG2 1 ATOM 1947 N N . SER A 1 258 ? 24.179 9.646 26.420 1.00 20.29 ? 599 SER A N 1 ATOM 1948 C CA . SER A 1 258 ? 25.143 9.559 27.497 1.00 21.63 ? 599 SER A CA 1 ATOM 1949 C C . SER A 1 258 ? 24.515 10.192 28.709 1.00 22.63 ? 599 SER A C 1 ATOM 1950 O O . SER A 1 258 ? 23.463 10.836 28.606 1.00 23.01 ? 599 SER A O 1 ATOM 1951 C CB . SER A 1 258 ? 26.417 10.326 27.135 1.00 21.73 ? 599 SER A CB 1 ATOM 1952 O OG . SER A 1 258 ? 26.155 11.720 27.068 1.00 21.16 ? 599 SER A OG 1 ATOM 1953 N N . ARG A 1 259 ? 25.153 10.011 29.858 1.00 23.75 ? 600 ARG A N 1 ATOM 1954 C CA . ARG A 1 259 ? 24.868 10.872 30.998 1.00 25.07 ? 600 ARG A CA 1 ATOM 1955 C C . ARG A 1 259 ? 25.242 12.314 30.641 1.00 25.65 ? 600 ARG A C 1 ATOM 1956 O O . ARG A 1 259 ? 26.176 12.547 29.861 1.00 25.01 ? 600 ARG A O 1 ATOM 1957 C CB . ARG A 1 259 ? 25.589 10.390 32.260 1.00 25.09 ? 600 ARG A CB 1 ATOM 1958 C CG . ARG A 1 259 ? 24.638 9.933 33.330 1.00 25.33 ? 600 ARG A CG 1 ATOM 1959 C CD . ARG A 1 259 ? 25.362 9.250 34.441 1.00 27.39 ? 600 ARG A CD 1 ATOM 1960 N NE . ARG A 1 259 ? 26.436 10.069 34.984 1.00 28.20 ? 600 ARG A NE 1 ATOM 1961 C CZ . ARG A 1 259 ? 27.188 9.701 36.016 1.00 28.60 ? 600 ARG A CZ 1 ATOM 1962 N NH1 . ARG A 1 259 ? 26.977 8.532 36.612 1.00 27.06 ? 600 ARG A NH1 1 ATOM 1963 N NH2 . ARG A 1 259 ? 28.139 10.511 36.458 1.00 29.07 ? 600 ARG A NH2 1 ATOM 1964 N N . SER A 1 260 ? 24.480 13.262 31.183 1.00 26.83 ? 601 SER A N 1 ATOM 1965 C CA . SER A 1 260 ? 24.623 14.678 30.818 1.00 28.57 ? 601 SER A CA 1 ATOM 1966 C C . SER A 1 260 ? 25.909 15.291 31.330 1.00 28.74 ? 601 SER A C 1 ATOM 1967 O O . SER A 1 260 ? 26.459 16.192 30.703 1.00 29.26 ? 601 SER A O 1 ATOM 1968 C CB . SER A 1 260 ? 23.461 15.483 31.359 1.00 28.72 ? 601 SER A CB 1 ATOM 1969 O OG . SER A 1 260 ? 23.252 15.168 32.724 1.00 31.79 ? 601 SER A OG 1 ATOM 1970 N N . ASP A 1 261 ? 26.383 14.803 32.470 1.00 28.93 ? 602 ASP A N 1 ATOM 1971 C CA . ASP A 1 261 ? 27.670 15.226 32.974 1.00 29.27 ? 602 ASP A CA 1 ATOM 1972 C C . ASP A 1 261 ? 28.822 14.758 32.075 1.00 29.09 ? 602 ASP A C 1 ATOM 1973 O O . ASP A 1 261 ? 29.942 15.209 32.243 1.00 29.13 ? 602 ASP A O 1 ATOM 1974 C CB . ASP A 1 261 ? 27.859 14.864 34.473 1.00 29.52 ? 602 ASP A CB 1 ATOM 1975 C CG . ASP A 1 261 ? 27.690 13.371 34.773 1.00 30.77 ? 602 ASP A CG 1 ATOM 1976 O OD1 . ASP A 1 261 ? 26.754 12.725 34.255 1.00 32.73 ? 602 ASP A OD1 1 ATOM 1977 O OD2 . ASP A 1 261 ? 28.491 12.840 35.571 1.00 32.04 ? 602 ASP A OD2 1 ATOM 1978 N N . ARG A 1 262 ? 28.532 13.884 31.108 1.00 29.52 ? 603 ARG A N 1 ATOM 1979 C CA . ARG A 1 262 ? 29.532 13.391 30.126 1.00 29.75 ? 603 ARG A CA 1 ATOM 1980 C C . ARG A 1 262 ? 29.289 13.829 28.684 1.00 29.26 ? 603 ARG A C 1 ATOM 1981 O O . ARG A 1 262 ? 30.192 13.721 27.864 1.00 29.72 ? 603 ARG A O 1 ATOM 1982 C CB . ARG A 1 262 ? 29.616 11.853 30.092 1.00 30.07 ? 603 ARG A CB 1 ATOM 1983 C CG . ARG A 1 262 ? 30.041 11.121 31.361 1.00 32.41 ? 603 ARG A CG 1 ATOM 1984 C CD . ARG A 1 262 ? 31.372 11.590 31.940 1.00 36.05 ? 603 ARG A CD 1 ATOM 1985 N NE . ARG A 1 262 ? 32.554 11.356 31.112 1.00 37.28 ? 603 ARG A NE 1 ATOM 1986 C CZ . ARG A 1 262 ? 33.614 12.165 31.133 1.00 40.55 ? 603 ARG A CZ 1 ATOM 1987 N NH1 . ARG A 1 262 ? 33.603 13.246 31.918 1.00 41.35 ? 603 ARG A NH1 1 ATOM 1988 N NH2 . ARG A 1 262 ? 34.681 11.920 30.373 1.00 41.65 ? 603 ARG A NH2 1 ATOM 1989 N N . ALA A 1 263 ? 28.082 14.281 28.356 1.00 29.00 ? 604 ALA A N 1 ATOM 1990 C CA . ALA A 1 263 ? 27.730 14.557 26.962 1.00 28.88 ? 604 ALA A CA 1 ATOM 1991 C C . ALA A 1 263 ? 28.783 15.395 26.232 1.00 28.99 ? 604 ALA A C 1 ATOM 1992 O O . ALA A 1 263 ? 29.154 15.076 25.102 1.00 29.21 ? 604 ALA A O 1 ATOM 1993 C CB . ALA A 1 263 ? 26.344 15.195 26.860 1.00 28.85 ? 604 ALA A CB 1 ATOM 1994 N N . ALA A 1 264 ? 29.288 16.441 26.884 1.00 28.73 ? 605 ALA A N 1 ATOM 1995 C CA . ALA A 1 264 ? 30.293 17.298 26.272 1.00 28.84 ? 605 ALA A CA 1 ATOM 1996 C C . ALA A 1 264 ? 31.509 16.502 25.810 1.00 29.06 ? 605 ALA A C 1 ATOM 1997 O O . ALA A 1 264 ? 32.051 16.745 24.735 1.00 28.77 ? 605 ALA A O 1 ATOM 1998 C CB . ALA A 1 264 ? 30.713 18.422 27.233 1.00 28.85 ? 605 ALA A CB 1 ATOM 1999 N N . HIS A 1 265 ? 31.925 15.545 26.625 1.00 29.54 ? 606 HIS A N 1 ATOM 2000 C CA . HIS A 1 265 ? 33.109 14.780 26.322 1.00 30.40 ? 606 HIS A CA 1 ATOM 2001 C C . HIS A 1 265 ? 32.854 13.584 25.427 1.00 30.40 ? 606 HIS A C 1 ATOM 2002 O O . HIS A 1 265 ? 33.759 13.174 24.670 1.00 30.53 ? 606 HIS A O 1 ATOM 2003 C CB . HIS A 1 265 ? 33.855 14.381 27.597 1.00 31.03 ? 606 HIS A CB 1 ATOM 2004 C CG . HIS A 1 265 ? 35.190 15.051 27.738 1.00 33.84 ? 606 HIS A CG 1 ATOM 2005 N ND1 . HIS A 1 265 ? 36.228 14.505 28.468 1.00 36.96 ? 606 HIS A ND1 1 ATOM 2006 C CD2 . HIS A 1 265 ? 35.666 16.209 27.213 1.00 35.61 ? 606 HIS A CD2 1 ATOM 2007 C CE1 . HIS A 1 265 ? 37.280 15.307 28.401 1.00 38.24 ? 606 HIS A CE1 1 ATOM 2008 N NE2 . HIS A 1 265 ? 36.967 16.344 27.640 1.00 38.40 ? 606 HIS A NE2 1 ATOM 2009 N N . VAL A 1 266 ? 31.645 13.019 25.510 1.00 29.81 ? 607 VAL A N 1 ATOM 2010 C CA . VAL A 1 266 ? 31.228 11.973 24.569 1.00 29.21 ? 607 VAL A CA 1 ATOM 2011 C C . VAL A 1 266 ? 31.141 12.566 23.160 1.00 28.98 ? 607 VAL A C 1 ATOM 2012 O O . VAL A 1 266 ? 31.567 11.938 22.185 1.00 28.73 ? 607 VAL A O 1 ATOM 2013 C CB . VAL A 1 266 ? 29.869 11.341 24.951 1.00 29.26 ? 607 VAL A CB 1 ATOM 2014 C CG1 . VAL A 1 266 ? 29.274 10.561 23.765 1.00 28.70 ? 607 VAL A CG1 1 ATOM 2015 C CG2 . VAL A 1 266 ? 30.003 10.464 26.202 1.00 28.48 ? 607 VAL A CG2 1 ATOM 2016 N N . GLU A 1 267 ? 30.603 13.782 23.075 1.00 28.93 ? 608 GLU A N 1 ATOM 2017 C CA . GLU A 1 267 ? 30.408 14.461 21.799 1.00 29.31 ? 608 GLU A CA 1 ATOM 2018 C C . GLU A 1 267 ? 31.741 14.723 21.094 1.00 29.12 ? 608 GLU A C 1 ATOM 2019 O O . GLU A 1 267 ? 31.900 14.395 19.923 1.00 29.19 ? 608 GLU A O 1 ATOM 2020 C CB . GLU A 1 267 ? 29.612 15.757 21.979 1.00 29.08 ? 608 GLU A CB 1 ATOM 2021 C CG . GLU A 1 267 ? 29.168 16.387 20.664 1.00 29.65 ? 608 GLU A CG 1 ATOM 2022 C CD . GLU A 1 267 ? 28.364 17.660 20.852 1.00 30.03 ? 608 GLU A CD 1 ATOM 2023 O OE1 . GLU A 1 267 ? 27.233 17.587 21.373 1.00 30.96 ? 608 GLU A OE1 1 ATOM 2024 O OE2 . GLU A 1 267 ? 28.857 18.740 20.465 1.00 32.27 ? 608 GLU A OE2 1 ATOM 2025 N N . GLN A 1 268 ? 32.692 15.282 21.827 1.00 28.99 ? 609 GLN A N 1 ATOM 2026 C CA . GLN A 1 268 ? 34.032 15.580 21.318 1.00 29.91 ? 609 GLN A CA 1 ATOM 2027 C C . GLN A 1 268 ? 34.867 14.375 20.761 1.00 29.23 ? 609 GLN A C 1 ATOM 2028 O O . GLN A 1 268 ? 35.448 14.455 19.667 1.00 29.32 ? 609 GLN A O 1 ATOM 2029 C CB . GLN A 1 268 ? 34.799 16.309 22.422 1.00 29.98 ? 609 GLN A CB 1 ATOM 2030 C CG . GLN A 1 268 ? 35.953 17.185 21.968 1.00 31.48 ? 609 GLN A CG 1 ATOM 2031 C CD . GLN A 1 268 ? 36.751 17.725 23.152 1.00 31.88 ? 609 GLN A CD 1 ATOM 2032 O OE1 . GLN A 1 268 ? 36.782 18.945 23.401 1.00 33.38 ? 609 GLN A OE1 1 ATOM 2033 N NE2 . GLN A 1 268 ? 37.390 16.809 23.905 1.00 34.95 ? 609 GLN A NE2 1 ATOM 2034 N N . VAL A 1 269 ? 34.921 13.274 21.510 1.00 28.60 ? 610 VAL A N 1 ATOM 2035 C CA . VAL A 1 269 ? 35.684 12.090 21.126 1.00 27.71 ? 610 VAL A CA 1 ATOM 2036 C C . VAL A 1 269 ? 35.082 11.475 19.893 1.00 27.42 ? 610 VAL A C 1 ATOM 2037 O O . VAL A 1 269 ? 35.806 10.976 19.031 1.00 27.46 ? 610 VAL A O 1 ATOM 2038 C CB . VAL A 1 269 ? 35.746 11.064 22.281 1.00 27.88 ? 610 VAL A CB 1 ATOM 2039 C CG1 . VAL A 1 269 ? 36.351 9.730 21.848 1.00 27.11 ? 610 VAL A CG1 1 ATOM 2040 C CG2 . VAL A 1 269 ? 36.562 11.647 23.417 1.00 28.72 ? 610 VAL A CG2 1 ATOM 2041 N N . LEU A 1 270 ? 33.760 11.532 19.793 1.00 27.04 ? 611 LEU A N 1 ATOM 2042 C CA . LEU A 1 270 ? 33.079 10.887 18.677 1.00 26.89 ? 611 LEU A CA 1 ATOM 2043 C C . LEU A 1 270 ? 33.185 11.606 17.341 1.00 26.84 ? 611 LEU A C 1 ATOM 2044 O O . LEU A 1 270 ? 33.304 10.951 16.294 1.00 26.62 ? 611 LEU A O 1 ATOM 2045 C CB . LEU A 1 270 ? 31.631 10.602 19.016 1.00 26.69 ? 611 LEU A CB 1 ATOM 2046 C CG . LEU A 1 270 ? 31.351 9.142 19.317 1.00 26.50 ? 611 LEU A CG 1 ATOM 2047 C CD1 . LEU A 1 270 ? 31.931 8.734 20.659 1.00 26.51 ? 611 LEU A CD1 1 ATOM 2048 C CD2 . LEU A 1 270 ? 29.863 9.027 19.328 1.00 28.26 ? 611 LEU A CD2 1 ATOM 2049 N N . LEU A 1 271 ? 33.139 12.940 17.381 1.00 27.08 ? 612 LEU A N 1 ATOM 2050 C CA . LEU A 1 271 ? 33.305 13.779 16.184 1.00 27.24 ? 612 LEU A CA 1 ATOM 2051 C C . LEU A 1 271 ? 34.664 13.540 15.550 1.00 27.89 ? 612 LEU A C 1 ATOM 2052 O O . LEU A 1 271 ? 34.759 13.332 14.340 1.00 27.25 ? 612 LEU A O 1 ATOM 2053 C CB . LEU A 1 271 ? 33.125 15.257 16.528 1.00 27.01 ? 612 LEU A CB 1 ATOM 2054 C CG . LEU A 1 271 ? 31.696 15.766 16.772 1.00 25.84 ? 612 LEU A CG 1 ATOM 2055 C CD1 . LEU A 1 271 ? 31.725 17.056 17.615 1.00 25.70 ? 612 LEU A CD1 1 ATOM 2056 C CD2 . LEU A 1 271 ? 30.940 15.971 15.470 1.00 22.76 ? 612 LEU A CD2 1 ATOM 2057 N N . HIS A 1 272 ? 35.697 13.545 16.401 1.00 29.15 ? 613 HIS A N 1 ATOM 2058 C CA . HIS A 1 272 ? 37.062 13.132 16.058 1.00 30.64 ? 613 HIS A CA 1 ATOM 2059 C C . HIS A 1 272 ? 37.069 11.713 15.505 1.00 30.92 ? 613 HIS A C 1 ATOM 2060 O O . HIS A 1 272 ? 37.500 11.491 14.381 1.00 31.75 ? 613 HIS A O 1 ATOM 2061 C CB . HIS A 1 272 ? 37.959 13.235 17.303 1.00 31.30 ? 613 HIS A CB 1 ATOM 2062 C CG . HIS A 1 272 ? 39.371 12.747 17.113 1.00 34.44 ? 613 HIS A CG 1 ATOM 2063 N ND1 . HIS A 1 272 ? 40.116 13.000 15.974 1.00 37.63 ? 613 HIS A ND1 1 ATOM 2064 C CD2 . HIS A 1 272 ? 40.190 12.061 17.951 1.00 36.21 ? 613 HIS A CD2 1 ATOM 2065 C CE1 . HIS A 1 272 ? 41.321 12.467 16.108 1.00 38.07 ? 613 HIS A CE1 1 ATOM 2066 N NE2 . HIS A 1 272 ? 41.393 11.895 17.300 1.00 38.01 ? 613 HIS A NE2 1 ATOM 2067 N N . GLN A 1 273 ? 36.573 10.760 16.286 1.00 31.30 ? 614 GLN A N 1 ATOM 2068 C CA . GLN A 1 273 ? 36.491 9.354 15.867 1.00 31.46 ? 614 GLN A CA 1 ATOM 2069 C C . GLN A 1 273 ? 35.875 9.127 14.462 1.00 32.19 ? 614 GLN A C 1 ATOM 2070 O O . GLN A 1 273 ? 36.342 8.265 13.710 1.00 31.89 ? 614 GLN A O 1 ATOM 2071 C CB . GLN A 1 273 ? 35.743 8.521 16.935 1.00 31.34 ? 614 GLN A CB 1 ATOM 2072 C CG . GLN A 1 273 ? 36.559 8.172 18.190 1.00 28.72 ? 614 GLN A CG 1 ATOM 2073 C CD . GLN A 1 273 ? 37.868 7.444 17.867 1.00 26.36 ? 614 GLN A CD 1 ATOM 2074 O OE1 . GLN A 1 273 ? 37.893 6.487 17.072 1.00 24.73 ? 614 GLN A OE1 1 ATOM 2075 N NE2 . GLN A 1 273 ? 38.960 7.896 18.481 1.00 23.20 ? 614 GLN A NE2 1 ATOM 2076 N N . GLN A 1 274 ? 34.836 9.897 14.121 1.00 32.98 ? 615 GLN A N 1 ATOM 2077 C CA . GLN A 1 274 ? 34.176 9.759 12.822 1.00 33.64 ? 615 GLN A CA 1 ATOM 2078 C C . GLN A 1 274 ? 34.935 10.416 11.657 1.00 34.72 ? 615 GLN A C 1 ATOM 2079 O O . GLN A 1 274 ? 34.793 10.006 10.493 1.00 34.82 ? 615 GLN A O 1 ATOM 2080 C CB . GLN A 1 274 ? 32.706 10.193 12.887 1.00 33.66 ? 615 GLN A CB 1 ATOM 2081 C CG . GLN A 1 274 ? 32.395 11.670 12.776 1.00 32.70 ? 615 GLN A CG 1 ATOM 2082 C CD . GLN A 1 274 ? 30.893 11.928 12.614 1.00 33.12 ? 615 GLN A CD 1 ATOM 2083 O OE1 . GLN A 1 274 ? 30.130 11.054 12.179 1.00 32.04 ? 615 GLN A OE1 1 ATOM 2084 N NE2 . GLN A 1 274 ? 30.465 13.137 12.960 1.00 32.39 ? 615 GLN A NE2 1 ATOM 2085 N N . ALA A 1 275 ? 35.747 11.428 11.975 1.00 35.61 ? 616 ALA A N 1 ATOM 2086 C CA . ALA A 1 275 ? 36.638 12.040 10.991 1.00 36.19 ? 616 ALA A CA 1 ATOM 2087 C C . ALA A 1 275 ? 37.606 10.985 10.510 1.00 36.87 ? 616 ALA A C 1 ATOM 2088 O O . ALA A 1 275 ? 38.048 11.021 9.360 1.00 36.97 ? 616 ALA A O 1 ATOM 2089 C CB . ALA A 1 275 ? 37.387 13.184 11.601 1.00 36.06 ? 616 ALA A CB 1 ATOM 2090 N N . LEU A 1 276 ? 37.904 10.041 11.410 1.00 37.67 ? 617 LEU A N 1 ATOM 2091 C CA . LEU A 1 276 ? 38.848 8.941 11.181 1.00 38.21 ? 617 LEU A CA 1 ATOM 2092 C C . LEU A 1 276 ? 38.233 7.685 10.561 1.00 38.84 ? 617 LEU A C 1 ATOM 2093 O O . LEU A 1 276 ? 38.843 7.085 9.675 1.00 39.31 ? 617 LEU A O 1 ATOM 2094 C CB . LEU A 1 276 ? 39.539 8.532 12.491 1.00 37.97 ? 617 LEU A CB 1 ATOM 2095 C CG . LEU A 1 276 ? 40.543 9.410 13.241 1.00 37.69 ? 617 LEU A CG 1 ATOM 2096 C CD1 . LEU A 1 276 ? 41.444 8.534 14.123 1.00 36.47 ? 617 LEU A CD1 1 ATOM 2097 C CD2 . LEU A 1 276 ? 41.387 10.251 12.302 1.00 38.44 ? 617 LEU A CD2 1 ATOM 2098 N N . PHE A 1 277 ? 37.057 7.270 11.038 1.00 39.43 ? 618 PHE A N 1 ATOM 2099 C CA . PHE A 1 277 ? 36.441 6.003 10.591 1.00 40.24 ? 618 PHE A CA 1 ATOM 2100 C C . PHE A 1 277 ? 35.048 6.129 9.936 1.00 40.87 ? 618 PHE A C 1 ATOM 2101 O O . PHE A 1 277 ? 34.386 5.109 9.678 1.00 40.86 ? 618 PHE A O 1 ATOM 2102 C CB . PHE A 1 277 ? 36.354 4.992 11.752 1.00 40.20 ? 618 PHE A CB 1 ATOM 2103 C CG . PHE A 1 277 ? 37.633 4.828 12.537 1.00 39.98 ? 618 PHE A CG 1 ATOM 2104 C CD1 . PHE A 1 277 ? 38.702 4.103 12.020 1.00 39.52 ? 618 PHE A CD1 1 ATOM 2105 C CD2 . PHE A 1 277 ? 37.754 5.373 13.809 1.00 39.39 ? 618 PHE A CD2 1 ATOM 2106 C CE1 . PHE A 1 277 ? 39.877 3.936 12.752 1.00 39.27 ? 618 PHE A CE1 1 ATOM 2107 C CE2 . PHE A 1 277 ? 38.925 5.214 14.540 1.00 39.34 ? 618 PHE A CE2 1 ATOM 2108 C CZ . PHE A 1 277 ? 39.990 4.496 14.010 1.00 38.75 ? 618 PHE A CZ 1 ATOM 2109 N N . GLY A 1 278 ? 34.603 7.363 9.687 1.00 41.44 ? 619 GLY A N 1 ATOM 2110 C CA . GLY A 1 278 ? 33.298 7.612 9.062 1.00 42.35 ? 619 GLY A CA 1 ATOM 2111 C C . GLY A 1 278 ? 33.292 7.433 7.546 1.00 43.15 ? 619 GLY A C 1 ATOM 2112 O O . GLY A 1 278 ? 34.237 6.863 6.980 1.00 42.63 ? 619 GLY A O 1 ATOM 2113 N N . LYS A 1 279 ? 32.237 7.935 6.890 1.00 43.82 ? 620 LYS A N 1 ATOM 2114 C CA . LYS A 1 279 ? 32.018 7.694 5.453 1.00 44.72 ? 620 LYS A CA 1 ATOM 2115 C C . LYS A 1 279 ? 33.189 8.124 4.569 1.00 45.41 ? 620 LYS A C 1 ATOM 2116 O O . LYS A 1 279 ? 33.571 7.412 3.630 1.00 45.64 ? 620 LYS A O 1 ATOM 2117 C CB . LYS A 1 279 ? 30.705 8.308 4.954 1.00 44.64 ? 620 LYS A CB 1 ATOM 2118 C CG . LYS A 1 279 ? 30.448 8.017 3.482 1.00 44.95 ? 620 LYS A CG 1 ATOM 2119 C CD . LYS A 1 279 ? 28.974 7.843 3.154 1.00 45.14 ? 620 LYS A CD 1 ATOM 2120 C CE . LYS A 1 279 ? 28.808 7.129 1.803 1.00 45.29 ? 620 LYS A CE 1 ATOM 2121 N NZ . LYS A 1 279 ? 29.508 7.829 0.672 1.00 44.04 ? 620 LYS A NZ 1 ATOM 2122 N N . ASN A 1 280 ? 33.756 9.287 4.873 1.00 46.11 ? 621 ASN A N 1 ATOM 2123 C CA . ASN A 1 280 ? 34.924 9.775 4.135 1.00 46.93 ? 621 ASN A CA 1 ATOM 2124 C C . ASN A 1 280 ? 36.159 9.896 5.044 1.00 47.04 ? 621 ASN A C 1 ATOM 2125 O O . ASN A 1 280 ? 37.035 10.737 4.832 1.00 46.94 ? 621 ASN A O 1 ATOM 2126 C CB . ASN A 1 280 ? 34.585 11.101 3.432 1.00 47.09 ? 621 ASN A CB 1 ATOM 2127 C CG . ASN A 1 280 ? 33.549 10.935 2.304 1.00 47.62 ? 621 ASN A CG 1 ATOM 2128 O OD1 . ASN A 1 280 ? 33.161 11.914 1.672 1.00 49.26 ? 621 ASN A OD1 1 ATOM 2129 N ND2 . ASN A 1 280 ? 33.109 9.705 2.052 1.00 46.31 ? 621 ASN A ND2 1 ATOM 2130 N N . GLY A 1 281 ? 36.216 9.021 6.046 1.00 47.26 ? 622 GLY A N 1 ATOM 2131 C CA . GLY A 1 281 ? 37.155 9.143 7.154 1.00 47.57 ? 622 GLY A CA 1 ATOM 2132 C C . GLY A 1 281 ? 38.563 8.725 6.814 1.00 47.95 ? 622 GLY A C 1 ATOM 2133 O O . GLY A 1 281 ? 38.762 7.842 5.969 1.00 47.85 ? 622 GLY A O 1 ATOM 2134 N N . LYS A 1 282 ? 39.534 9.349 7.493 1.00 48.35 ? 623 LYS A N 1 ATOM 2135 C CA . LYS A 1 282 ? 40.960 9.196 7.168 1.00 48.78 ? 623 LYS A CA 1 ATOM 2136 C C . LYS A 1 282 ? 41.330 7.740 6.947 1.00 48.65 ? 623 LYS A C 1 ATOM 2137 O O . LYS A 1 282 ? 42.072 7.411 6.020 1.00 48.84 ? 623 LYS A O 1 ATOM 2138 C CB . LYS A 1 282 ? 41.858 9.802 8.262 1.00 49.13 ? 623 LYS A CB 1 ATOM 2139 C CG . LYS A 1 282 ? 42.472 11.175 7.940 1.00 50.42 ? 623 LYS A CG 1 ATOM 2140 C CD . LYS A 1 282 ? 41.477 12.327 8.159 1.00 52.37 ? 623 LYS A CD 1 ATOM 2141 C CE . LYS A 1 282 ? 41.755 13.533 7.235 1.00 52.59 ? 623 LYS A CE 1 ATOM 2142 N NZ . LYS A 1 282 ? 40.844 14.694 7.508 1.00 52.06 ? 623 LYS A NZ 1 ATOM 2143 N N . ASN A 1 283 ? 40.774 6.867 7.784 1.00 48.43 ? 624 ASN A N 1 ATOM 2144 C CA . ASN A 1 283 ? 41.167 5.469 7.795 1.00 48.02 ? 624 ASN A CA 1 ATOM 2145 C C . ASN A 1 283 ? 40.021 4.475 7.620 1.00 47.65 ? 624 ASN A C 1 ATOM 2146 O O . ASN A 1 283 ? 40.186 3.291 7.916 1.00 47.51 ? 624 ASN A O 1 ATOM 2147 C CB . ASN A 1 283 ? 41.949 5.178 9.073 1.00 48.29 ? 624 ASN A CB 1 ATOM 2148 C CG . ASN A 1 283 ? 43.160 6.086 9.232 1.00 49.07 ? 624 ASN A CG 1 ATOM 2149 O OD1 . ASN A 1 283 ? 44.177 5.897 8.551 1.00 49.88 ? 624 ASN A OD1 1 ATOM 2150 N ND2 . ASN A 1 283 ? 43.060 7.083 10.134 1.00 47.60 ? 624 ASN A ND2 1 ATOM 2151 N N . CYS A 1 284 ? 38.876 4.943 7.118 1.00 47.02 ? 625 CYS A N 1 ATOM 2152 C CA . CYS A 1 284 ? 37.744 4.046 6.887 1.00 47.26 ? 625 CYS A CA 1 ATOM 2153 C C . CYS A 1 284 ? 38.078 2.971 5.866 1.00 47.98 ? 625 CYS A C 1 ATOM 2154 O O . CYS A 1 284 ? 38.398 1.840 6.261 1.00 48.60 ? 625 CYS A O 1 ATOM 2155 C CB . CYS A 1 284 ? 36.460 4.789 6.510 1.00 46.74 ? 625 CYS A CB 1 ATOM 2156 S SG . CYS A 1 284 ? 35.091 3.805 5.746 1.00 45.14 ? 625 CYS A SG 1 ATOM 2157 N N . PRO A 1 285 ? 38.048 3.310 4.560 1.00 48.14 ? 626 PRO A N 1 ATOM 2158 C CA . PRO A 1 285 ? 38.035 2.207 3.590 1.00 48.07 ? 626 PRO A CA 1 ATOM 2159 C C . PRO A 1 285 ? 39.248 1.282 3.791 1.00 48.05 ? 626 PRO A C 1 ATOM 2160 O O . PRO A 1 285 ? 39.102 0.056 3.818 1.00 47.90 ? 626 PRO A O 1 ATOM 2161 C CB . PRO A 1 285 ? 38.087 2.927 2.238 1.00 48.41 ? 626 PRO A CB 1 ATOM 2162 C CG . PRO A 1 285 ? 37.612 4.350 2.538 1.00 48.48 ? 626 PRO A CG 1 ATOM 2163 C CD . PRO A 1 285 ? 38.082 4.636 3.914 1.00 47.96 ? 626 PRO A CD 1 ATOM 2164 N N . ASP A 1 286 ? 40.414 1.896 3.994 1.00 47.84 ? 627 ASP A N 1 ATOM 2165 C CA . ASP A 1 286 ? 41.696 1.211 4.198 1.00 47.37 ? 627 ASP A CA 1 ATOM 2166 C C . ASP A 1 286 ? 41.738 0.353 5.481 1.00 46.72 ? 627 ASP A C 1 ATOM 2167 O O . ASP A 1 286 ? 41.899 -0.872 5.405 1.00 46.99 ? 627 ASP A O 1 ATOM 2168 C CB . ASP A 1 286 ? 42.826 2.255 4.211 1.00 47.45 ? 627 ASP A CB 1 ATOM 2169 C CG . ASP A 1 286 ? 42.386 3.596 3.615 1.00 47.87 ? 627 ASP A CG 1 ATOM 2170 O OD1 . ASP A 1 286 ? 42.303 3.697 2.368 1.00 49.39 ? 627 ASP A OD1 1 ATOM 2171 O OD2 . ASP A 1 286 ? 42.103 4.542 4.389 1.00 46.51 ? 627 ASP A OD2 1 ATOM 2172 N N . LYS A 1 287 ? 41.587 0.976 6.649 1.00 45.59 ? 628 LYS A N 1 ATOM 2173 C CA . LYS A 1 287 ? 41.804 0.247 7.908 1.00 45.06 ? 628 LYS A CA 1 ATOM 2174 C C . LYS A 1 287 ? 40.543 -0.233 8.661 1.00 44.03 ? 628 LYS A C 1 ATOM 2175 O O . LYS A 1 287 ? 40.433 -1.419 8.969 1.00 43.84 ? 628 LYS A O 1 ATOM 2176 C CB . LYS A 1 287 ? 42.764 1.010 8.835 1.00 45.05 ? 628 LYS A CB 1 ATOM 2177 C CG . LYS A 1 287 ? 44.225 0.989 8.371 1.00 45.64 ? 628 LYS A CG 1 ATOM 2178 C CD . LYS A 1 287 ? 45.199 1.497 9.446 1.00 46.07 ? 628 LYS A CD 1 ATOM 2179 C CE . LYS A 1 287 ? 45.485 0.446 10.520 1.00 47.07 ? 628 LYS A CE 1 ATOM 2180 N NZ . LYS A 1 287 ? 46.320 0.964 11.657 1.00 46.88 ? 628 LYS A NZ 1 ATOM 2181 N N . PHE A 1 288 ? 39.604 0.674 8.944 1.00 42.96 ? 629 PHE A N 1 ATOM 2182 C CA . PHE A 1 288 ? 38.402 0.347 9.729 1.00 41.71 ? 629 PHE A CA 1 ATOM 2183 C C . PHE A 1 288 ? 37.254 1.347 9.474 1.00 41.18 ? 629 PHE A C 1 ATOM 2184 O O . PHE A 1 288 ? 37.485 2.554 9.439 1.00 41.04 ? 629 PHE A O 1 ATOM 2185 C CB . PHE A 1 288 ? 38.761 0.300 11.229 1.00 41.38 ? 629 PHE A CB 1 ATOM 2186 C CG . PHE A 1 288 ? 37.582 0.094 12.126 1.00 40.79 ? 629 PHE A CG 1 ATOM 2187 C CD1 . PHE A 1 288 ? 37.141 -1.189 12.426 1.00 40.40 ? 629 PHE A CD1 1 ATOM 2188 C CD2 . PHE A 1 288 ? 36.899 1.184 12.660 1.00 39.70 ? 629 PHE A CD2 1 ATOM 2189 C CE1 . PHE A 1 288 ? 36.041 -1.380 13.243 1.00 39.88 ? 629 PHE A CE1 1 ATOM 2190 C CE2 . PHE A 1 288 ? 35.800 1.001 13.473 1.00 39.65 ? 629 PHE A CE2 1 ATOM 2191 C CZ . PHE A 1 288 ? 35.366 -0.284 13.766 1.00 39.85 ? 629 PHE A CZ 1 ATOM 2192 N N . CYS A 1 289 ? 36.025 0.852 9.305 1.00 40.52 ? 630 CYS A N 1 ATOM 2193 C CA . CYS A 1 289 ? 34.868 1.741 9.127 1.00 39.92 ? 630 CYS A CA 1 ATOM 2194 C C . CYS A 1 289 ? 33.846 1.542 10.243 1.00 39.82 ? 630 CYS A C 1 ATOM 2195 O O . CYS A 1 289 ? 33.378 0.426 10.468 1.00 40.05 ? 630 CYS A O 1 ATOM 2196 C CB . CYS A 1 289 ? 34.219 1.572 7.739 1.00 39.97 ? 630 CYS A CB 1 ATOM 2197 S SG . CYS A 1 289 ? 35.327 1.859 6.288 1.00 39.40 ? 630 CYS A SG 1 ATOM 2198 N N . LEU A 1 290 ? 33.520 2.627 10.946 1.00 39.40 ? 631 LEU A N 1 ATOM 2199 C CA . LEU A 1 290 ? 32.578 2.601 12.061 1.00 38.87 ? 631 LEU A CA 1 ATOM 2200 C C . LEU A 1 290 ? 31.164 2.320 11.576 1.00 39.15 ? 631 LEU A C 1 ATOM 2201 O O . LEU A 1 290 ? 30.311 1.878 12.350 1.00 39.43 ? 631 LEU A O 1 ATOM 2202 C CB . LEU A 1 290 ? 32.580 3.947 12.810 1.00 38.60 ? 631 LEU A CB 1 ATOM 2203 C CG . LEU A 1 290 ? 32.747 4.048 14.342 1.00 37.98 ? 631 LEU A CG 1 ATOM 2204 C CD1 . LEU A 1 290 ? 32.155 5.338 14.870 1.00 37.49 ? 631 LEU A CD1 1 ATOM 2205 C CD2 . LEU A 1 290 ? 32.172 2.901 15.118 1.00 36.89 ? 631 LEU A CD2 1 ATOM 2206 N N . PHE A 1 291 ? 30.903 2.598 10.303 1.00 39.34 ? 632 PHE A N 1 ATOM 2207 C CA . PHE A 1 291 ? 29.535 2.567 9.794 1.00 39.79 ? 632 PHE A CA 1 ATOM 2208 C C . PHE A 1 291 ? 29.268 1.412 8.811 1.00 40.42 ? 632 PHE A C 1 ATOM 2209 O O . PHE A 1 291 ? 28.309 1.459 8.044 1.00 40.50 ? 632 PHE A O 1 ATOM 2210 C CB . PHE A 1 291 ? 29.139 3.925 9.176 1.00 39.46 ? 632 PHE A CB 1 ATOM 2211 C CG . PHE A 1 291 ? 29.185 5.092 10.146 1.00 39.04 ? 632 PHE A CG 1 ATOM 2212 C CD1 . PHE A 1 291 ? 28.632 4.993 11.424 1.00 38.03 ? 632 PHE A CD1 1 ATOM 2213 C CD2 . PHE A 1 291 ? 29.761 6.305 9.765 1.00 38.60 ? 632 PHE A CD2 1 ATOM 2214 C CE1 . PHE A 1 291 ? 28.668 6.070 12.315 1.00 37.67 ? 632 PHE A CE1 1 ATOM 2215 C CE2 . PHE A 1 291 ? 29.801 7.389 10.654 1.00 39.04 ? 632 PHE A CE2 1 ATOM 2216 C CZ . PHE A 1 291 ? 29.252 7.265 11.935 1.00 38.66 ? 632 PHE A CZ 1 ATOM 2217 N N . LYS A 1 292 ? 30.108 0.377 8.841 1.00 40.95 ? 633 LYS A N 1 ATOM 2218 C CA . LYS A 1 292 ? 29.862 -0.823 8.034 1.00 41.62 ? 633 LYS A CA 1 ATOM 2219 C C . LYS A 1 292 ? 29.999 -2.125 8.823 1.00 42.10 ? 633 LYS A C 1 ATOM 2220 O O . LYS A 1 292 ? 30.981 -2.323 9.543 1.00 42.44 ? 633 LYS A O 1 ATOM 2221 C CB . LYS A 1 292 ? 30.795 -0.814 6.815 1.00 41.52 ? 633 LYS A CB 1 ATOM 2222 C CG . LYS A 1 292 ? 30.133 -0.340 5.519 1.00 42.18 ? 633 LYS A CG 1 ATOM 2223 C CD . LYS A 1 292 ? 30.117 1.177 5.411 1.00 43.61 ? 633 LYS A CD 1 ATOM 2224 C CE . LYS A 1 292 ? 28.964 1.688 4.559 1.00 44.34 ? 633 LYS A CE 1 ATOM 2225 N NZ . LYS A 1 292 ? 28.611 3.115 4.908 1.00 45.49 ? 633 LYS A NZ 1 ATOM 2226 N N . SER A 1 293 ? 29.008 -3.007 8.681 1.00 42.54 ? 634 SER A N 1 ATOM 2227 C CA . SER A 1 293 ? 28.998 -4.304 9.372 1.00 42.93 ? 634 SER A CA 1 ATOM 2228 C C . SER A 1 293 ? 28.328 -5.416 8.550 1.00 43.34 ? 634 SER A C 1 ATOM 2229 O O . SER A 1 293 ? 27.986 -6.482 9.092 1.00 43.49 ? 634 SER A O 1 ATOM 2230 C CB . SER A 1 293 ? 28.307 -4.181 10.733 1.00 42.76 ? 634 SER A CB 1 ATOM 2231 O OG . SER A 1 293 ? 26.930 -3.895 10.578 1.00 42.61 ? 634 SER A OG 1 ATOM 2232 N N . GLU A 1 294 ? 28.136 -5.153 7.252 1.00 43.43 ? 635 GLU A N 1 ATOM 2233 C CA . GLU A 1 294 ? 27.550 -6.116 6.300 1.00 43.31 ? 635 GLU A CA 1 ATOM 2234 C C . GLU A 1 294 ? 26.094 -6.510 6.622 1.00 42.50 ? 635 GLU A C 1 ATOM 2235 O O . GLU A 1 294 ? 25.825 -7.607 7.132 1.00 42.51 ? 635 GLU A O 1 ATOM 2236 C CB . GLU A 1 294 ? 28.454 -7.346 6.168 1.00 43.84 ? 635 GLU A CB 1 ATOM 2237 C CG . GLU A 1 294 ? 29.905 -7.001 5.845 1.00 45.90 ? 635 GLU A CG 1 ATOM 2238 C CD . GLU A 1 294 ? 30.871 -8.128 6.189 1.00 48.30 ? 635 GLU A CD 1 ATOM 2239 O OE1 . GLU A 1 294 ? 31.073 -8.399 7.400 1.00 49.83 ? 635 GLU A OE1 1 ATOM 2240 O OE2 . GLU A 1 294 ? 31.448 -8.720 5.246 1.00 47.90 ? 635 GLU A OE2 1 ATOM 2241 N N . THR A 1 295 ? 25.170 -5.589 6.328 1.00 41.51 ? 636 THR A N 1 ATOM 2242 C CA . THR A 1 295 ? 23.711 -5.749 6.558 1.00 40.23 ? 636 THR A CA 1 ATOM 2243 C C . THR A 1 295 ? 23.301 -6.126 8.016 1.00 38.86 ? 636 THR A C 1 ATOM 2244 O O . THR A 1 295 ? 22.192 -6.617 8.283 1.00 38.52 ? 636 THR A O 1 ATOM 2245 C CB . THR A 1 295 ? 23.066 -6.675 5.485 1.00 40.41 ? 636 THR A CB 1 ATOM 2246 O OG1 . THR A 1 295 ? 21.715 -6.263 5.255 1.00 41.18 ? 636 THR A OG1 1 ATOM 2247 C CG2 . THR A 1 295 ? 23.111 -8.168 5.892 1.00 40.69 ? 636 THR A CG2 1 ATOM 2248 N N . LYS A 1 296 ? 24.202 -5.850 8.954 1.00 37.07 ? 637 LYS A N 1 ATOM 2249 C CA . LYS A 1 296 ? 24.024 -6.298 10.318 1.00 35.29 ? 637 LYS A CA 1 ATOM 2250 C C . LYS A 1 296 ? 23.854 -5.187 11.333 1.00 33.41 ? 637 LYS A C 1 ATOM 2251 O O . LYS A 1 296 ? 23.684 -5.466 12.511 1.00 33.76 ? 637 LYS A O 1 ATOM 2252 C CB . LYS A 1 296 ? 25.150 -7.255 10.714 1.00 35.73 ? 637 LYS A CB 1 ATOM 2253 C CG . LYS A 1 296 ? 25.011 -8.636 10.083 1.00 37.09 ? 637 LYS A CG 1 ATOM 2254 C CD . LYS A 1 296 ? 26.310 -9.448 10.139 1.00 40.29 ? 637 LYS A CD 1 ATOM 2255 C CE . LYS A 1 296 ? 26.645 -9.962 11.560 1.00 42.14 ? 637 LYS A CE 1 ATOM 2256 N NZ . LYS A 1 296 ? 25.503 -10.625 12.268 1.00 42.78 ? 637 LYS A NZ 1 ATOM 2257 N N . ASN A 1 297 ? 23.879 -3.934 10.879 1.00 31.05 ? 638 ASN A N 1 ATOM 2258 C CA . ASN A 1 297 ? 23.567 -2.778 11.731 1.00 28.65 ? 638 ASN A CA 1 ATOM 2259 C C . ASN A 1 297 ? 24.168 -2.862 13.145 1.00 26.81 ? 638 ASN A C 1 ATOM 2260 O O . ASN A 1 297 ? 23.487 -2.625 14.131 1.00 26.37 ? 638 ASN A O 1 ATOM 2261 C CB . ASN A 1 297 ? 22.039 -2.549 11.798 1.00 28.83 ? 638 ASN A CB 1 ATOM 2262 C CG . ASN A 1 297 ? 21.390 -2.313 10.409 1.00 29.93 ? 638 ASN A CG 1 ATOM 2263 O OD1 . ASN A 1 297 ? 20.216 -2.659 10.193 1.00 29.24 ? 638 ASN A OD1 1 ATOM 2264 N ND2 . ASN A 1 297 ? 22.149 -1.715 9.474 1.00 30.47 ? 638 ASN A ND2 1 ATOM 2265 N N . LEU A 1 298 ? 25.448 -3.215 13.229 1.00 25.18 ? 639 LEU A N 1 ATOM 2266 C CA . LEU A 1 298 ? 26.150 -3.383 14.511 1.00 23.43 ? 639 LEU A CA 1 ATOM 2267 C C . LEU A 1 298 ? 26.700 -2.054 15.002 1.00 22.44 ? 639 LEU A C 1 ATOM 2268 O O . LEU A 1 298 ? 27.391 -1.368 14.263 1.00 22.31 ? 639 LEU A O 1 ATOM 2269 C CB . LEU A 1 298 ? 27.299 -4.397 14.372 1.00 23.63 ? 639 LEU A CB 1 ATOM 2270 C CG . LEU A 1 298 ? 27.014 -5.883 14.093 1.00 22.84 ? 639 LEU A CG 1 ATOM 2271 C CD1 . LEU A 1 298 ? 28.306 -6.621 13.886 1.00 21.74 ? 639 LEU A CD1 1 ATOM 2272 C CD2 . LEU A 1 298 ? 26.194 -6.558 15.211 1.00 23.09 ? 639 LEU A CD2 1 ATOM 2273 N N . LEU A 1 299 ? 26.385 -1.703 16.247 1.00 21.27 ? 640 LEU A N 1 ATOM 2274 C CA . LEU A 1 299 ? 26.670 -0.388 16.849 1.00 19.87 ? 640 LEU A CA 1 ATOM 2275 C C . LEU A 1 299 ? 26.011 0.800 16.147 1.00 19.30 ? 640 LEU A C 1 ATOM 2276 O O . LEU A 1 299 ? 25.623 1.753 16.810 1.00 19.39 ? 640 LEU A O 1 ATOM 2277 C CB . LEU A 1 299 ? 28.173 -0.114 16.992 1.00 19.86 ? 640 LEU A CB 1 ATOM 2278 C CG . LEU A 1 299 ? 29.178 -1.098 17.584 1.00 18.92 ? 640 LEU A CG 1 ATOM 2279 C CD1 . LEU A 1 299 ? 30.440 -0.312 17.917 1.00 17.60 ? 640 LEU A CD1 1 ATOM 2280 C CD2 . LEU A 1 299 ? 28.644 -1.802 18.811 1.00 18.19 ? 640 LEU A CD2 1 ATOM 2281 N N . PHE A 1 300 ? 25.929 0.769 14.820 1.00 18.33 ? 641 PHE A N 1 ATOM 2282 C CA . PHE A 1 300 ? 25.282 1.825 14.044 1.00 18.21 ? 641 PHE A CA 1 ATOM 2283 C C . PHE A 1 300 ? 24.640 1.203 12.804 1.00 18.90 ? 641 PHE A C 1 ATOM 2284 O O . PHE A 1 300 ? 25.153 0.207 12.292 1.00 19.47 ? 641 PHE A O 1 ATOM 2285 C CB . PHE A 1 300 ? 26.285 2.899 13.619 1.00 16.85 ? 641 PHE A CB 1 ATOM 2286 C CG . PHE A 1 300 ? 26.980 3.561 14.753 1.00 16.47 ? 641 PHE A CG 1 ATOM 2287 C CD1 . PHE A 1 300 ? 26.363 4.567 15.480 1.00 17.15 ? 641 PHE A CD1 1 ATOM 2288 C CD2 . PHE A 1 300 ? 28.273 3.183 15.115 1.00 15.98 ? 641 PHE A CD2 1 ATOM 2289 C CE1 . PHE A 1 300 ? 27.042 5.184 16.568 1.00 17.30 ? 641 PHE A CE1 1 ATOM 2290 C CE2 . PHE A 1 300 ? 28.941 3.793 16.190 1.00 14.10 ? 641 PHE A CE2 1 ATOM 2291 C CZ . PHE A 1 300 ? 28.332 4.789 16.908 1.00 15.01 ? 641 PHE A CZ 1 ATOM 2292 N N . ASN A 1 301 ? 23.532 1.769 12.321 1.00 19.64 ? 642 ASN A N 1 ATOM 2293 C CA . ASN A 1 301 ? 22.917 1.299 11.075 1.00 20.73 ? 642 ASN A CA 1 ATOM 2294 C C . ASN A 1 301 ? 23.926 1.505 9.970 1.00 21.70 ? 642 ASN A C 1 ATOM 2295 O O . ASN A 1 301 ? 24.594 2.549 9.930 1.00 21.56 ? 642 ASN A O 1 ATOM 2296 C CB . ASN A 1 301 ? 21.634 2.068 10.737 1.00 20.82 ? 642 ASN A CB 1 ATOM 2297 C CG . ASN A 1 301 ? 20.503 1.837 11.746 1.00 21.13 ? 642 ASN A CG 1 ATOM 2298 O OD1 . ASN A 1 301 ? 20.171 0.699 12.081 1.00 22.53 ? 642 ASN A OD1 1 ATOM 2299 N ND2 . ASN A 1 301 ? 19.891 2.924 12.211 1.00 20.47 ? 642 ASN A ND2 1 ATOM 2300 N N . ASP A 1 302 ? 24.056 0.506 9.093 1.00 22.95 ? 643 ASP A N 1 ATOM 2301 C CA . ASP A 1 302 ? 25.025 0.555 7.995 1.00 24.22 ? 643 ASP A CA 1 ATOM 2302 C C . ASP A 1 302 ? 24.772 1.716 7.045 1.00 24.96 ? 643 ASP A C 1 ATOM 2303 O O . ASP A 1 302 ? 25.634 2.050 6.233 1.00 25.29 ? 643 ASP A O 1 ATOM 2304 C CB . ASP A 1 302 ? 25.017 -0.738 7.190 1.00 24.48 ? 643 ASP A CB 1 ATOM 2305 C CG . ASP A 1 302 ? 25.507 -1.932 7.985 1.00 25.98 ? 643 ASP A CG 1 ATOM 2306 O OD1 . ASP A 1 302 ? 26.631 -1.875 8.535 1.00 26.43 ? 643 ASP A OD1 1 ATOM 2307 O OD2 . ASP A 1 302 ? 24.770 -2.944 8.032 1.00 27.54 ? 643 ASP A OD2 1 ATOM 2308 N N . ASN A 1 303 ? 23.592 2.327 7.142 1.00 26.22 ? 644 ASN A N 1 ATOM 2309 C CA . ASN A 1 303 ? 23.211 3.430 6.241 1.00 27.28 ? 644 ASN A CA 1 ATOM 2310 C C . ASN A 1 303 ? 23.587 4.816 6.770 1.00 27.74 ? 644 ASN A C 1 ATOM 2311 O O . ASN A 1 303 ? 23.326 5.822 6.117 1.00 28.16 ? 644 ASN A O 1 ATOM 2312 C CB . ASN A 1 303 ? 21.714 3.367 5.895 1.00 27.10 ? 644 ASN A CB 1 ATOM 2313 C CG . ASN A 1 303 ? 20.825 3.534 7.112 1.00 27.41 ? 644 ASN A CG 1 ATOM 2314 O OD1 . ASN A 1 303 ? 21.300 3.661 8.250 1.00 27.73 ? 644 ASN A OD1 1 ATOM 2315 N ND2 . ASN A 1 303 ? 19.522 3.539 6.878 1.00 27.30 ? 644 ASN A ND2 1 ATOM 2316 N N . THR A 1 304 ? 24.183 4.857 7.959 1.00 28.44 ? 645 THR A N 1 ATOM 2317 C CA . THR A 1 304 ? 24.652 6.103 8.544 1.00 28.87 ? 645 THR A CA 1 ATOM 2318 C C . THR A 1 304 ? 25.767 6.683 7.684 1.00 29.54 ? 645 THR A C 1 ATOM 2319 O O . THR A 1 304 ? 26.779 6.017 7.429 1.00 29.49 ? 645 THR A O 1 ATOM 2320 C CB . THR A 1 304 ? 25.129 5.896 10.002 1.00 28.73 ? 645 THR A CB 1 ATOM 2321 O OG1 . THR A 1 304 ? 24.034 5.432 10.795 1.00 28.29 ? 645 THR A OG1 1 ATOM 2322 C CG2 . THR A 1 304 ? 25.652 7.184 10.608 1.00 28.41 ? 645 THR A CG2 1 ATOM 2323 N N . GLU A 1 305 ? 25.542 7.908 7.213 1.00 30.48 ? 646 GLU A N 1 ATOM 2324 C CA . GLU A 1 305 ? 26.562 8.698 6.543 1.00 32.44 ? 646 GLU A CA 1 ATOM 2325 C C . GLU A 1 305 ? 27.512 9.285 7.573 1.00 32.29 ? 646 GLU A C 1 ATOM 2326 O O . GLU A 1 305 ? 28.724 9.240 7.407 1.00 32.57 ? 646 GLU A O 1 ATOM 2327 C CB . GLU A 1 305 ? 25.933 9.837 5.731 1.00 32.52 ? 646 GLU A CB 1 ATOM 2328 C CG . GLU A 1 305 ? 26.962 10.806 5.120 1.00 34.17 ? 646 GLU A CG 1 ATOM 2329 C CD . GLU A 1 305 ? 26.332 11.926 4.289 1.00 34.93 ? 646 GLU A CD 1 ATOM 2330 O OE1 . GLU A 1 305 ? 25.207 11.719 3.746 1.00 37.23 ? 646 GLU A OE1 1 ATOM 2331 O OE2 . GLU A 1 305 ? 26.982 13.008 4.169 1.00 37.29 ? 646 GLU A OE2 1 ATOM 2332 N N . CYS A 1 306 ? 26.940 9.863 8.621 1.00 32.70 ? 647 CYS A N 1 ATOM 2333 C CA . CYS A 1 306 ? 27.702 10.388 9.739 1.00 32.94 ? 647 CYS A CA 1 ATOM 2334 C C . CYS A 1 306 ? 26.752 10.553 10.903 1.00 32.36 ? 647 CYS A C 1 ATOM 2335 O O . CYS A 1 306 ? 25.528 10.552 10.720 1.00 31.83 ? 647 CYS A O 1 ATOM 2336 C CB . CYS A 1 306 ? 28.299 11.758 9.394 1.00 33.82 ? 647 CYS A CB 1 ATOM 2337 S SG . CYS A 1 306 ? 27.142 13.142 9.581 1.00 35.97 ? 647 CYS A SG 1 ATOM 2338 N N . LEU A 1 307 ? 27.325 10.698 12.093 1.00 31.73 ? 648 LEU A N 1 ATOM 2339 C CA . LEU A 1 307 ? 26.590 11.203 13.233 1.00 31.29 ? 648 LEU A CA 1 ATOM 2340 C C . LEU A 1 307 ? 26.598 12.727 13.133 1.00 31.26 ? 648 LEU A C 1 ATOM 2341 O O . LEU A 1 307 ? 27.618 13.321 12.755 1.00 31.33 ? 648 LEU A O 1 ATOM 2342 C CB . LEU A 1 307 ? 27.259 10.764 14.528 1.00 31.14 ? 648 LEU A CB 1 ATOM 2343 C CG . LEU A 1 307 ? 27.534 9.274 14.667 1.00 31.05 ? 648 LEU A CG 1 ATOM 2344 C CD1 . LEU A 1 307 ? 28.701 9.037 15.651 1.00 30.62 ? 648 LEU A CD1 1 ATOM 2345 C CD2 . LEU A 1 307 ? 26.257 8.559 15.083 1.00 29.37 ? 648 LEU A CD2 1 ATOM 2346 N N . ALA A 1 308 ? 25.478 13.356 13.484 1.00 30.95 ? 649 ALA A N 1 ATOM 2347 C CA . ALA A 1 308 ? 25.303 14.796 13.282 1.00 30.95 ? 649 ALA A CA 1 ATOM 2348 C C . ALA A 1 308 ? 25.032 15.539 14.577 1.00 30.88 ? 649 ALA A C 1 ATOM 2349 O O . ALA A 1 308 ? 24.367 15.006 15.459 1.00 30.75 ? 649 ALA A O 1 ATOM 2350 C CB . ALA A 1 308 ? 24.175 15.054 12.269 1.00 30.84 ? 649 ALA A CB 1 ATOM 2351 N N . LYS A 1 309 ? 25.548 16.773 14.679 1.00 31.25 ? 650 LYS A N 1 ATOM 2352 C CA . LYS A 1 309 ? 25.289 17.669 15.844 1.00 31.24 ? 650 LYS A CA 1 ATOM 2353 C C . LYS A 1 309 ? 23.799 17.884 15.955 1.00 30.78 ? 650 LYS A C 1 ATOM 2354 O O . LYS A 1 309 ? 23.082 17.721 14.968 1.00 31.10 ? 650 LYS A O 1 ATOM 2355 C CB . LYS A 1 309 ? 25.980 19.040 15.687 1.00 31.07 ? 650 LYS A CB 1 ATOM 2356 C CG . LYS A 1 309 ? 27.495 19.016 15.712 1.00 31.17 ? 650 LYS A CG 1 ATOM 2357 C CD . LYS A 1 309 ? 28.074 20.413 15.861 1.00 31.67 ? 650 LYS A CD 1 ATOM 2358 C CE . LYS A 1 309 ? 29.609 20.392 15.747 1.00 31.97 ? 650 LYS A CE 1 ATOM 2359 N NZ . LYS A 1 309 ? 30.220 21.581 16.417 1.00 32.03 ? 650 LYS A NZ 1 ATOM 2360 N N . LEU A 1 310 ? 23.323 18.269 17.127 1.00 30.44 ? 651 LEU A N 1 ATOM 2361 C CA . LEU A 1 310 ? 21.877 18.360 17.308 1.00 30.40 ? 651 LEU A CA 1 ATOM 2362 C C . LEU A 1 310 ? 21.265 19.741 17.096 1.00 30.85 ? 651 LEU A C 1 ATOM 2363 O O . LEU A 1 310 ? 20.283 19.872 16.365 1.00 31.04 ? 651 LEU A O 1 ATOM 2364 C CB . LEU A 1 310 ? 21.423 17.714 18.622 1.00 30.04 ? 651 LEU A CB 1 ATOM 2365 C CG . LEU A 1 310 ? 21.590 16.193 18.688 1.00 27.97 ? 651 LEU A CG 1 ATOM 2366 C CD1 . LEU A 1 310 ? 20.750 15.658 19.801 1.00 26.06 ? 651 LEU A CD1 1 ATOM 2367 C CD2 . LEU A 1 310 ? 21.198 15.527 17.379 1.00 26.05 ? 651 LEU A CD2 1 ATOM 2368 N N . GLY A 1 311 ? 21.828 20.776 17.713 1.00 31.43 ? 652 GLY A N 1 ATOM 2369 C CA . GLY A 1 311 ? 21.315 22.142 17.477 1.00 31.56 ? 652 GLY A CA 1 ATOM 2370 C C . GLY A 1 311 ? 19.922 22.316 18.061 1.00 31.30 ? 652 GLY A C 1 ATOM 2371 O O . GLY A 1 311 ? 18.987 21.585 17.722 1.00 31.27 ? 652 GLY A O 1 ATOM 2372 N N . GLY A 1 312 ? 19.788 23.292 18.950 1.00 31.16 ? 653 GLY A N 1 ATOM 2373 C CA . GLY A 1 312 ? 18.606 23.407 19.798 1.00 30.55 ? 653 GLY A CA 1 ATOM 2374 C C . GLY A 1 312 ? 18.870 22.670 21.091 1.00 30.13 ? 653 GLY A C 1 ATOM 2375 O O . GLY A 1 312 ? 17.952 22.457 21.870 1.00 30.18 ? 653 GLY A O 1 ATOM 2376 N N . ARG A 1 313 ? 20.137 22.304 21.310 1.00 29.71 ? 654 ARG A N 1 ATOM 2377 C CA . ARG A 1 313 ? 20.579 21.471 22.437 1.00 29.66 ? 654 ARG A CA 1 ATOM 2378 C C . ARG A 1 313 ? 19.414 20.745 23.161 1.00 28.88 ? 654 ARG A C 1 ATOM 2379 O O . ARG A 1 313 ? 19.169 20.956 24.365 1.00 28.55 ? 654 ARG A O 1 ATOM 2380 C CB . ARG A 1 313 ? 21.512 22.254 23.381 1.00 29.93 ? 654 ARG A CB 1 ATOM 2381 C CG . ARG A 1 313 ? 22.922 22.496 22.795 1.00 31.96 ? 654 ARG A CG 1 ATOM 2382 C CD . ARG A 1 313 ? 23.995 22.559 23.894 1.00 35.80 ? 654 ARG A CD 1 ATOM 2383 N NE . ARG A 1 313 ? 25.268 23.116 23.420 1.00 38.88 ? 654 ARG A NE 1 ATOM 2384 C CZ . ARG A 1 313 ? 26.418 22.440 23.318 1.00 40.96 ? 654 ARG A CZ 1 ATOM 2385 N NH1 . ARG A 1 313 ? 26.490 21.157 23.662 1.00 42.55 ? 654 ARG A NH1 1 ATOM 2386 N NH2 . ARG A 1 313 ? 27.514 23.051 22.875 1.00 41.41 ? 654 ARG A NH2 1 ATOM 2387 N N . PRO A 1 314 ? 18.719 19.856 22.412 1.00 28.08 ? 655 PRO A N 1 ATOM 2388 C CA . PRO A 1 314 ? 17.413 19.387 22.801 1.00 27.60 ? 655 PRO A CA 1 ATOM 2389 C C . PRO A 1 314 ? 17.447 18.367 23.922 1.00 27.29 ? 655 PRO A C 1 ATOM 2390 O O . PRO A 1 314 ? 18.384 17.576 24.014 1.00 27.15 ? 655 PRO A O 1 ATOM 2391 C CB . PRO A 1 314 ? 16.884 18.752 21.509 1.00 27.41 ? 655 PRO A CB 1 ATOM 2392 C CG . PRO A 1 314 ? 18.077 18.250 20.838 1.00 27.28 ? 655 PRO A CG 1 ATOM 2393 C CD . PRO A 1 314 ? 19.158 19.230 21.147 1.00 27.97 ? 655 PRO A CD 1 ATOM 2394 N N . THR A 1 315 ? 16.415 18.410 24.763 1.00 27.15 ? 656 THR A N 1 ATOM 2395 C CA . THR A 1 315 ? 16.150 17.372 25.740 1.00 27.23 ? 656 THR A CA 1 ATOM 2396 C C . THR A 1 315 ? 15.565 16.137 25.016 1.00 27.06 ? 656 THR A C 1 ATOM 2397 O O . THR A 1 315 ? 15.280 16.192 23.813 1.00 26.62 ? 656 THR A O 1 ATOM 2398 C CB . THR A 1 315 ? 15.243 17.888 26.908 1.00 27.14 ? 656 THR A CB 1 ATOM 2399 O OG1 . THR A 1 315 ? 13.870 17.913 26.517 1.00 28.06 ? 656 THR A OG1 1 ATOM 2400 C CG2 . THR A 1 315 ? 15.636 19.284 27.316 1.00 27.72 ? 656 THR A CG2 1 ATOM 2401 N N . TYR A 1 316 ? 15.414 15.029 25.743 1.00 27.08 ? 657 TYR A N 1 ATOM 2402 C CA . TYR A 1 316 ? 14.945 13.770 25.160 1.00 27.18 ? 657 TYR A CA 1 ATOM 2403 C C . TYR A 1 316 ? 13.493 13.869 24.638 1.00 27.95 ? 657 TYR A C 1 ATOM 2404 O O . TYR A 1 316 ? 13.160 13.292 23.589 1.00 27.75 ? 657 TYR A O 1 ATOM 2405 C CB . TYR A 1 316 ? 15.130 12.588 26.147 1.00 26.43 ? 657 TYR A CB 1 ATOM 2406 C CG . TYR A 1 316 ? 13.967 12.321 27.061 1.00 24.66 ? 657 TYR A CG 1 ATOM 2407 C CD1 . TYR A 1 316 ? 12.974 11.420 26.703 1.00 24.97 ? 657 TYR A CD1 1 ATOM 2408 C CD2 . TYR A 1 316 ? 13.851 12.975 28.279 1.00 24.61 ? 657 TYR A CD2 1 ATOM 2409 C CE1 . TYR A 1 316 ? 11.885 11.177 27.547 1.00 25.89 ? 657 TYR A CE1 1 ATOM 2410 C CE2 . TYR A 1 316 ? 12.771 12.739 29.140 1.00 24.13 ? 657 TYR A CE2 1 ATOM 2411 C CZ . TYR A 1 316 ? 11.796 11.839 28.764 1.00 25.26 ? 657 TYR A CZ 1 ATOM 2412 O OH . TYR A 1 316 ? 10.724 11.605 29.588 1.00 25.30 ? 657 TYR A OH 1 ATOM 2413 N N . GLU A 1 317 ? 12.646 14.594 25.371 1.00 28.48 ? 658 GLU A N 1 ATOM 2414 C CA . GLU A 1 317 ? 11.250 14.778 24.987 1.00 29.70 ? 658 GLU A CA 1 ATOM 2415 C C . GLU A 1 317 ? 11.196 15.588 23.700 1.00 28.87 ? 658 GLU A C 1 ATOM 2416 O O . GLU A 1 317 ? 10.468 15.247 22.766 1.00 29.08 ? 658 GLU A O 1 ATOM 2417 C CB . GLU A 1 317 ? 10.468 15.443 26.125 1.00 29.73 ? 658 GLU A CB 1 ATOM 2418 C CG . GLU A 1 317 ? 10.352 14.515 27.371 1.00 32.33 ? 658 GLU A CG 1 ATOM 2419 C CD . GLU A 1 317 ? 9.915 15.208 28.684 1.00 32.81 ? 658 GLU A CD 1 ATOM 2420 O OE1 . GLU A 1 317 ? 10.310 16.381 28.948 1.00 35.79 ? 658 GLU A OE1 1 ATOM 2421 O OE2 . GLU A 1 317 ? 9.187 14.542 29.468 1.00 36.35 ? 658 GLU A OE2 1 ATOM 2422 N N . GLU A 1 318 ? 12.012 16.635 23.638 1.00 28.22 ? 659 GLU A N 1 ATOM 2423 C CA . GLU A 1 318 ? 12.129 17.461 22.436 1.00 27.38 ? 659 GLU A CA 1 ATOM 2424 C C . GLU A 1 318 ? 12.732 16.701 21.281 1.00 26.97 ? 659 GLU A C 1 ATOM 2425 O O . GLU A 1 318 ? 12.304 16.889 20.138 1.00 27.22 ? 659 GLU A O 1 ATOM 2426 C CB . GLU A 1 318 ? 12.994 18.686 22.688 1.00 27.26 ? 659 GLU A CB 1 ATOM 2427 C CG . GLU A 1 318 ? 12.383 19.678 23.617 1.00 26.39 ? 659 GLU A CG 1 ATOM 2428 C CD . GLU A 1 318 ? 13.251 20.774 24.125 1.00 26.03 ? 659 GLU A CD 1 ATOM 2429 O OE1 . GLU A 1 318 ? 14.486 20.583 24.215 1.00 23.81 ? 659 GLU A OE1 1 ATOM 2430 O OE2 . GLU A 1 318 ? 12.693 21.846 24.434 1.00 27.24 ? 659 GLU A OE2 1 ATOM 2431 N N . TYR A 1 319 ? 13.744 15.874 21.568 1.00 26.12 ? 660 TYR A N 1 ATOM 2432 C CA . TYR A 1 319 ? 14.376 15.070 20.514 1.00 24.90 ? 660 TYR A CA 1 ATOM 2433 C C . TYR A 1 319 ? 13.373 14.125 19.862 1.00 25.10 ? 660 TYR A C 1 ATOM 2434 O O . TYR A 1 319 ? 13.319 14.036 18.648 1.00 24.88 ? 660 TYR A O 1 ATOM 2435 C CB . TYR A 1 319 ? 15.631 14.300 20.973 1.00 23.44 ? 660 TYR A CB 1 ATOM 2436 C CG . TYR A 1 319 ? 16.175 13.498 19.820 1.00 21.61 ? 660 TYR A CG 1 ATOM 2437 C CD1 . TYR A 1 319 ? 16.979 14.100 18.858 1.00 20.58 ? 660 TYR A CD1 1 ATOM 2438 C CD2 . TYR A 1 319 ? 15.807 12.169 19.634 1.00 18.57 ? 660 TYR A CD2 1 ATOM 2439 C CE1 . TYR A 1 319 ? 17.424 13.399 17.779 1.00 19.04 ? 660 TYR A CE1 1 ATOM 2440 C CE2 . TYR A 1 319 ? 16.246 11.472 18.567 1.00 17.76 ? 660 TYR A CE2 1 ATOM 2441 C CZ . TYR A 1 319 ? 17.048 12.093 17.638 1.00 19.44 ? 660 TYR A CZ 1 ATOM 2442 O OH . TYR A 1 319 ? 17.495 11.396 16.551 1.00 21.28 ? 660 TYR A OH 1 ATOM 2443 N N . LEU A 1 320 ? 12.586 13.430 20.673 1.00 26.11 ? 661 LEU A N 1 ATOM 2444 C CA . LEU A 1 320 ? 11.628 12.446 20.172 1.00 27.22 ? 661 LEU A CA 1 ATOM 2445 C C . LEU A 1 320 ? 10.366 13.132 19.668 1.00 28.23 ? 661 LEU A C 1 ATOM 2446 O O . LEU A 1 320 ? 9.640 12.576 18.847 1.00 28.12 ? 661 LEU A O 1 ATOM 2447 C CB . LEU A 1 320 ? 11.291 11.403 21.245 1.00 26.64 ? 661 LEU A CB 1 ATOM 2448 C CG . LEU A 1 320 ? 12.465 10.589 21.795 1.00 26.61 ? 661 LEU A CG 1 ATOM 2449 C CD1 . LEU A 1 320 ? 12.066 9.842 23.043 1.00 27.29 ? 661 LEU A CD1 1 ATOM 2450 C CD2 . LEU A 1 320 ? 13.036 9.618 20.767 1.00 27.59 ? 661 LEU A CD2 1 ATOM 2451 N N . GLY A 1 321 ? 10.125 14.347 20.154 1.00 29.67 ? 662 GLY A N 1 ATOM 2452 C CA . GLY A 1 321 ? 8.965 15.121 19.744 1.00 31.68 ? 662 GLY A CA 1 ATOM 2453 C C . GLY A 1 321 ? 7.692 14.712 20.460 1.00 33.28 ? 662 GLY A C 1 ATOM 2454 O O . GLY A 1 321 ? 7.420 13.521 20.645 1.00 33.28 ? 662 GLY A O 1 ATOM 2455 N N . THR A 1 322 ? 6.905 15.717 20.844 1.00 34.88 ? 663 THR A N 1 ATOM 2456 C CA . THR A 1 322 ? 5.606 15.538 21.529 1.00 36.42 ? 663 THR A CA 1 ATOM 2457 C C . THR A 1 322 ? 4.641 14.539 20.874 1.00 36.95 ? 663 THR A C 1 ATOM 2458 O O . THR A 1 322 ? 3.842 13.916 21.570 1.00 37.26 ? 663 THR A O 1 ATOM 2459 C CB . THR A 1 322 ? 4.857 16.879 21.681 1.00 36.47 ? 663 THR A CB 1 ATOM 2460 O OG1 . THR A 1 322 ? 4.680 17.466 20.387 1.00 37.66 ? 663 THR A OG1 1 ATOM 2461 C CG2 . THR A 1 322 ? 5.641 17.852 22.569 1.00 36.92 ? 663 THR A CG2 1 ATOM 2462 N N . GLU A 1 323 ? 4.704 14.406 19.549 1.00 37.72 ? 664 GLU A N 1 ATOM 2463 C CA . GLU A 1 323 ? 3.947 13.378 18.825 1.00 38.90 ? 664 GLU A CA 1 ATOM 2464 C C . GLU A 1 323 ? 4.290 11.976 19.374 1.00 38.17 ? 664 GLU A C 1 ATOM 2465 O O . GLU A 1 323 ? 3.454 11.299 19.980 1.00 38.29 ? 664 GLU A O 1 ATOM 2466 C CB . GLU A 1 323 ? 4.255 13.459 17.319 1.00 38.61 ? 664 GLU A CB 1 ATOM 2467 C CG . GLU A 1 323 ? 3.328 12.629 16.420 1.00 40.88 ? 664 GLU A CG 1 ATOM 2468 C CD . GLU A 1 323 ? 3.992 12.152 15.100 1.00 41.90 ? 664 GLU A CD 1 ATOM 2469 O OE1 . GLU A 1 323 ? 3.383 11.325 14.367 1.00 44.84 ? 664 GLU A OE1 1 ATOM 2470 O OE2 . GLU A 1 323 ? 5.129 12.589 14.795 1.00 46.42 ? 664 GLU A OE2 1 ATOM 2471 N N . TYR A 1 324 ? 5.539 11.566 19.183 1.00 37.58 ? 665 TYR A N 1 ATOM 2472 C CA . TYR A 1 324 ? 5.988 10.243 19.569 1.00 36.74 ? 665 TYR A CA 1 ATOM 2473 C C . TYR A 1 324 ? 5.935 10.040 21.084 1.00 36.59 ? 665 TYR A C 1 ATOM 2474 O O . TYR A 1 324 ? 5.572 8.966 21.559 1.00 36.47 ? 665 TYR A O 1 ATOM 2475 C CB . TYR A 1 324 ? 7.387 10.011 18.996 1.00 36.36 ? 665 TYR A CB 1 ATOM 2476 C CG . TYR A 1 324 ? 7.994 8.633 19.191 1.00 36.42 ? 665 TYR A CG 1 ATOM 2477 C CD1 . TYR A 1 324 ? 7.220 7.469 19.148 1.00 36.25 ? 665 TYR A CD1 1 ATOM 2478 C CD2 . TYR A 1 324 ? 9.365 8.495 19.385 1.00 36.76 ? 665 TYR A CD2 1 ATOM 2479 C CE1 . TYR A 1 324 ? 7.805 6.212 19.321 1.00 35.33 ? 665 TYR A CE1 1 ATOM 2480 C CE2 . TYR A 1 324 ? 9.950 7.245 19.557 1.00 35.88 ? 665 TYR A CE2 1 ATOM 2481 C CZ . TYR A 1 324 ? 9.172 6.119 19.522 1.00 34.83 ? 665 TYR A CZ 1 ATOM 2482 O OH . TYR A 1 324 ? 9.783 4.905 19.694 1.00 35.25 ? 665 TYR A OH 1 ATOM 2483 N N . VAL A 1 325 ? 6.259 11.076 21.850 1.00 36.59 ? 666 VAL A N 1 ATOM 2484 C CA . VAL A 1 325 ? 6.306 10.914 23.300 1.00 36.56 ? 666 VAL A CA 1 ATOM 2485 C C . VAL A 1 325 ? 4.931 10.559 23.854 1.00 37.06 ? 666 VAL A C 1 ATOM 2486 O O . VAL A 1 325 ? 4.847 9.844 24.859 1.00 37.33 ? 666 VAL A O 1 ATOM 2487 C CB . VAL A 1 325 ? 6.893 12.139 24.045 1.00 36.39 ? 666 VAL A CB 1 ATOM 2488 C CG1 . VAL A 1 325 ? 6.918 11.892 25.551 1.00 35.65 ? 666 VAL A CG1 1 ATOM 2489 C CG2 . VAL A 1 325 ? 8.288 12.432 23.565 1.00 35.74 ? 666 VAL A CG2 1 ATOM 2490 N N . THR A 1 326 ? 3.860 11.039 23.208 1.00 37.33 ? 667 THR A N 1 ATOM 2491 C CA . THR A 1 326 ? 2.503 10.644 23.634 1.00 37.42 ? 667 THR A CA 1 ATOM 2492 C C . THR A 1 326 ? 2.209 9.217 23.223 1.00 37.32 ? 667 THR A C 1 ATOM 2493 O O . THR A 1 326 ? 1.653 8.458 24.032 1.00 37.61 ? 667 THR A O 1 ATOM 2494 C CB . THR A 1 326 ? 1.343 11.570 23.151 1.00 37.48 ? 667 THR A CB 1 ATOM 2495 O OG1 . THR A 1 326 ? 1.487 11.863 21.757 1.00 37.43 ? 667 THR A OG1 1 ATOM 2496 C CG2 . THR A 1 326 ? 1.285 12.865 23.971 1.00 37.49 ? 667 THR A CG2 1 ATOM 2497 N N . ALA A 1 327 ? 2.594 8.846 21.995 1.00 36.72 ? 668 ALA A N 1 ATOM 2498 C CA . ALA A 1 327 ? 2.373 7.475 21.511 1.00 36.30 ? 668 ALA A CA 1 ATOM 2499 C C . ALA A 1 327 ? 2.837 6.423 22.552 1.00 36.04 ? 668 ALA A C 1 ATOM 2500 O O . ALA A 1 327 ? 2.047 5.564 22.968 1.00 35.43 ? 668 ALA A O 1 ATOM 2501 C CB . ALA A 1 327 ? 3.013 7.258 20.146 1.00 35.90 ? 668 ALA A CB 1 ATOM 2502 N N . ILE A 1 328 ? 4.082 6.546 23.020 1.00 35.87 ? 669 ILE A N 1 ATOM 2503 C CA . ILE A 1 328 ? 4.628 5.629 24.022 1.00 36.04 ? 669 ILE A CA 1 ATOM 2504 C C . ILE A 1 328 ? 3.912 5.698 25.373 1.00 36.76 ? 669 ILE A C 1 ATOM 2505 O O . ILE A 1 328 ? 3.526 4.662 25.909 1.00 36.68 ? 669 ILE A O 1 ATOM 2506 C CB . ILE A 1 328 ? 6.132 5.839 24.265 1.00 35.95 ? 669 ILE A CB 1 ATOM 2507 C CG1 . ILE A 1 328 ? 6.902 5.920 22.940 1.00 35.52 ? 669 ILE A CG1 1 ATOM 2508 C CG2 . ILE A 1 328 ? 6.672 4.713 25.147 1.00 35.50 ? 669 ILE A CG2 1 ATOM 2509 C CD1 . ILE A 1 328 ? 7.977 6.980 22.928 1.00 33.73 ? 669 ILE A CD1 1 ATOM 2510 N N . ALA A 1 329 ? 3.744 6.903 25.925 1.00 37.64 ? 670 ALA A N 1 ATOM 2511 C CA . ALA A 1 329 ? 3.056 7.080 27.212 1.00 38.35 ? 670 ALA A CA 1 ATOM 2512 C C . ALA A 1 329 ? 1.656 6.434 27.264 1.00 39.10 ? 670 ALA A C 1 ATOM 2513 O O . ALA A 1 329 ? 1.305 5.813 28.266 1.00 39.41 ? 670 ALA A O 1 ATOM 2514 C CB . ALA A 1 329 ? 2.987 8.539 27.585 1.00 38.29 ? 670 ALA A CB 1 ATOM 2515 N N . ASN A 1 330 ? 0.875 6.571 26.188 1.00 39.96 ? 671 ASN A N 1 ATOM 2516 C CA . ASN A 1 330 ? -0.431 5.899 26.059 1.00 40.59 ? 671 ASN A CA 1 ATOM 2517 C C . ASN A 1 330 ? -0.282 4.383 26.076 1.00 40.70 ? 671 ASN A C 1 ATOM 2518 O O . ASN A 1 330 ? -1.070 3.688 26.714 1.00 40.65 ? 671 ASN A O 1 ATOM 2519 C CB . ASN A 1 330 ? -1.160 6.315 24.764 1.00 40.90 ? 671 ASN A CB 1 ATOM 2520 C CG . ASN A 1 330 ? -1.856 7.676 24.869 1.00 42.34 ? 671 ASN A CG 1 ATOM 2521 O OD1 . ASN A 1 330 ? -2.755 7.879 25.690 1.00 44.52 ? 671 ASN A OD1 1 ATOM 2522 N ND2 . ASN A 1 330 ? -1.454 8.605 24.012 1.00 43.84 ? 671 ASN A ND2 1 ATOM 2523 N N . LEU A 1 331 ? 0.727 3.880 25.362 1.00 41.06 ? 672 LEU A N 1 ATOM 2524 C CA . LEU A 1 331 ? 0.980 2.441 25.237 1.00 41.24 ? 672 LEU A CA 1 ATOM 2525 C C . LEU A 1 331 ? 1.503 1.829 26.552 1.00 41.67 ? 672 LEU A C 1 ATOM 2526 O O . LEU A 1 331 ? 1.258 0.658 26.841 1.00 41.49 ? 672 LEU A O 1 ATOM 2527 C CB . LEU A 1 331 ? 1.938 2.181 24.067 1.00 40.99 ? 672 LEU A CB 1 ATOM 2528 C CG . LEU A 1 331 ? 2.455 0.776 23.728 1.00 41.28 ? 672 LEU A CG 1 ATOM 2529 C CD1 . LEU A 1 331 ? 1.322 -0.215 23.431 1.00 41.07 ? 672 LEU A CD1 1 ATOM 2530 C CD2 . LEU A 1 331 ? 3.427 0.845 22.558 1.00 41.04 ? 672 LEU A CD2 1 ATOM 2531 N N . LYS A 1 332 ? 2.201 2.637 27.348 1.00 42.39 ? 673 LYS A N 1 ATOM 2532 C CA . LYS A 1 332 ? 2.740 2.199 28.635 1.00 43.18 ? 673 LYS A CA 1 ATOM 2533 C C . LYS A 1 332 ? 1.676 2.167 29.735 1.00 43.86 ? 673 LYS A C 1 ATOM 2534 O O . LYS A 1 332 ? 1.914 1.584 30.801 1.00 44.09 ? 673 LYS A O 1 ATOM 2535 C CB . LYS A 1 332 ? 3.918 3.083 29.069 1.00 43.20 ? 673 LYS A CB 1 ATOM 2536 C CG . LYS A 1 332 ? 5.157 3.014 28.169 1.00 43.32 ? 673 LYS A CG 1 ATOM 2537 C CD . LYS A 1 332 ? 6.106 1.890 28.564 1.00 43.03 ? 673 LYS A CD 1 ATOM 2538 C CE . LYS A 1 332 ? 7.160 1.633 27.481 1.00 42.34 ? 673 LYS A CE 1 ATOM 2539 N NZ . LYS A 1 332 ? 8.113 2.750 27.287 1.00 41.14 ? 673 LYS A NZ 1 ATOM 2540 N N . LYS A 1 333 ? 0.519 2.792 29.485 1.00 44.33 ? 674 LYS A N 1 ATOM 2541 C CA . LYS A 1 333 ? -0.668 2.602 30.340 1.00 44.96 ? 674 LYS A CA 1 ATOM 2542 C C . LYS A 1 333 ? -1.050 1.111 30.353 1.00 45.35 ? 674 LYS A C 1 ATOM 2543 O O . LYS A 1 333 ? -1.545 0.602 31.360 1.00 45.79 ? 674 LYS A O 1 ATOM 2544 C CB . LYS A 1 333 ? -1.886 3.450 29.893 1.00 44.94 ? 674 LYS A CB 1 ATOM 2545 C CG . LYS A 1 333 ? -1.589 4.864 29.362 1.00 45.31 ? 674 LYS A CG 1 ATOM 2546 C CD . LYS A 1 333 ? -1.813 5.981 30.363 1.00 46.03 ? 674 LYS A CD 1 ATOM 2547 C CE . LYS A 1 333 ? -2.980 6.882 29.963 1.00 46.61 ? 674 LYS A CE 1 ATOM 2548 N NZ . LYS A 1 333 ? -3.264 7.975 30.958 1.00 46.13 ? 674 LYS A NZ 1 ATOM 2549 N N . CYS A 1 334 ? -0.795 0.420 29.240 1.00 45.77 ? 675 CYS A N 1 ATOM 2550 C CA . CYS A 1 334 ? -1.114 -1.003 29.093 1.00 46.21 ? 675 CYS A CA 1 ATOM 2551 C C . CYS A 1 334 ? -0.230 -1.991 29.874 1.00 46.86 ? 675 CYS A C 1 ATOM 2552 O O . CYS A 1 334 ? -0.765 -2.881 30.545 1.00 46.95 ? 675 CYS A O 1 ATOM 2553 C CB . CYS A 1 334 ? -1.140 -1.393 27.621 1.00 46.09 ? 675 CYS A CB 1 ATOM 2554 S SG . CYS A 1 334 ? -2.590 -0.825 26.722 1.00 46.38 ? 675 CYS A SG 1 ATOM 2555 N N . SER A 1 335 ? 1.099 -1.863 29.782 1.00 47.45 ? 676 SER A N 1 ATOM 2556 C CA . SER A 1 335 ? 2.009 -2.829 30.443 1.00 47.82 ? 676 SER A CA 1 ATOM 2557 C C . SER A 1 335 ? 1.922 -2.811 31.963 1.00 47.94 ? 676 SER A C 1 ATOM 2558 O O . SER A 1 335 ? 1.400 -3.752 32.562 1.00 48.26 ? 676 SER A O 1 ATOM 2559 C CB . SER A 1 335 ? 3.470 -2.675 29.995 1.00 47.79 ? 676 SER A CB 1 ATOM 2560 O OG . SER A 1 335 ? 3.811 -3.673 29.045 1.00 48.20 ? 676 SER A OG 1 ATOM 2561 N N . LEU A 1 340 ? 3.554 6.720 35.963 1.00 61.01 ? 681 LEU A N 1 ATOM 2562 C CA . LEU A 1 340 ? 3.485 7.247 34.591 1.00 61.08 ? 681 LEU A CA 1 ATOM 2563 C C . LEU A 1 340 ? 4.566 8.300 34.278 1.00 60.69 ? 681 LEU A C 1 ATOM 2564 O O . LEU A 1 340 ? 4.685 8.778 33.136 1.00 60.60 ? 681 LEU A O 1 ATOM 2565 C CB . LEU A 1 340 ? 2.062 7.730 34.251 1.00 61.16 ? 681 LEU A CB 1 ATOM 2566 C CG . LEU A 1 340 ? 1.145 6.737 33.499 1.00 61.37 ? 681 LEU A CG 1 ATOM 2567 C CD1 . LEU A 1 340 ? 0.898 5.403 34.247 1.00 60.69 ? 681 LEU A CD1 1 ATOM 2568 C CD2 . LEU A 1 340 ? -0.179 7.420 33.146 1.00 61.42 ? 681 LEU A CD2 1 ATOM 2569 N N . GLU A 1 341 ? 5.327 8.662 35.314 1.00 60.21 ? 682 GLU A N 1 ATOM 2570 C CA . GLU A 1 341 ? 6.684 9.201 35.167 1.00 59.73 ? 682 GLU A CA 1 ATOM 2571 C C . GLU A 1 341 ? 7.639 8.299 35.963 1.00 58.84 ? 682 GLU A C 1 ATOM 2572 O O . GLU A 1 341 ? 7.454 8.102 37.176 1.00 59.00 ? 682 GLU A O 1 ATOM 2573 C CB . GLU A 1 341 ? 6.783 10.660 35.623 1.00 60.10 ? 682 GLU A CB 1 ATOM 2574 C CG . GLU A 1 341 ? 6.579 10.907 37.108 1.00 61.21 ? 682 GLU A CG 1 ATOM 2575 C CD . GLU A 1 341 ? 7.329 12.131 37.570 1.00 62.87 ? 682 GLU A CD 1 ATOM 2576 O OE1 . GLU A 1 341 ? 8.544 12.009 37.838 1.00 62.90 ? 682 GLU A OE1 1 ATOM 2577 O OE2 . GLU A 1 341 ? 6.708 13.214 37.650 1.00 63.75 ? 682 GLU A OE2 1 ATOM 2578 N N . ALA A 1 342 ? 8.651 7.749 35.288 1.00 57.37 ? 683 ALA A N 1 ATOM 2579 C CA . ALA A 1 342 ? 9.404 6.632 35.867 1.00 55.69 ? 683 ALA A CA 1 ATOM 2580 C C . ALA A 1 342 ? 10.931 6.754 35.922 1.00 54.40 ? 683 ALA A C 1 ATOM 2581 O O . ALA A 1 342 ? 11.485 7.437 36.790 1.00 54.18 ? 683 ALA A O 1 ATOM 2582 C CB . ALA A 1 342 ? 8.990 5.310 35.186 1.00 56.12 ? 683 ALA A CB 1 ATOM 2583 N N . CYS A 1 343 ? 11.575 6.112 34.947 1.00 52.26 ? 684 CYS A N 1 ATOM 2584 C CA . CYS A 1 343 ? 12.968 5.547 35.097 1.00 51.87 ? 684 CYS A CA 1 ATOM 2585 C C . CYS A 1 343 ? 12.859 4.118 35.605 1.00 52.05 ? 684 CYS A C 1 ATOM 2586 O O . CYS A 1 343 ? 12.899 3.865 36.818 1.00 52.17 ? 684 CYS A O 1 ATOM 2587 C CB . CYS A 1 343 ? 13.899 6.384 36.000 1.00 50.74 ? 684 CYS A CB 1 ATOM 2588 S SG . CYS A 1 343 ? 15.608 5.725 36.067 1.00 47.95 ? 684 CYS A SG 1 ATOM 2589 N N . ALA A 1 344 ? 12.705 3.195 34.660 1.00 52.30 ? 685 ALA A N 1 ATOM 2590 C CA . ALA A 1 344 ? 12.380 1.805 34.971 1.00 52.54 ? 685 ALA A CA 1 ATOM 2591 C C . ALA A 1 344 ? 13.528 1.010 35.631 1.00 52.61 ? 685 ALA A C 1 ATOM 2592 O O . ALA A 1 344 ? 13.588 -0.222 35.529 1.00 52.95 ? 685 ALA A O 1 ATOM 2593 C CB . ALA A 1 344 ? 11.858 1.106 33.718 1.00 52.51 ? 685 ALA A CB 1 ATOM 2594 N N . PHE A 1 345 ? 14.427 1.724 36.311 1.00 52.47 ? 686 PHE A N 1 ATOM 2595 C CA . PHE A 1 345 ? 15.501 1.111 37.095 1.00 52.30 ? 686 PHE A CA 1 ATOM 2596 C C . PHE A 1 345 ? 15.733 1.941 38.347 1.00 52.20 ? 686 PHE A C 1 ATOM 2597 O O . PHE A 1 345 ? 16.511 1.556 39.211 1.00 52.27 ? 686 PHE A O 1 ATOM 2598 C CB . PHE A 1 345 ? 16.802 0.996 36.284 1.00 52.04 ? 686 PHE A CB 1 ATOM 2599 C CG . PHE A 1 345 ? 16.604 0.469 34.890 1.00 51.75 ? 686 PHE A CG 1 ATOM 2600 C CD1 . PHE A 1 345 ? 16.513 -0.897 34.656 1.00 51.32 ? 686 PHE A CD1 1 ATOM 2601 C CD2 . PHE A 1 345 ? 16.488 1.344 33.814 1.00 50.91 ? 686 PHE A CD2 1 ATOM 2602 C CE1 . PHE A 1 345 ? 16.319 -1.381 33.376 1.00 50.96 ? 686 PHE A CE1 1 ATOM 2603 C CE2 . PHE A 1 345 ? 16.299 0.867 32.540 1.00 50.78 ? 686 PHE A CE2 1 ATOM 2604 C CZ . PHE A 1 345 ? 16.217 -0.500 32.318 1.00 51.09 ? 686 PHE A CZ 1 HETATM 2605 C C1 . NAG B 2 . ? -3.472 6.457 20.660 0.50 36.26 ? 1 NAG A C1 1 HETATM 2606 C C2 . NAG B 2 . ? -2.445 7.358 19.973 0.50 35.24 ? 1 NAG A C2 1 HETATM 2607 C C3 . NAG B 2 . ? -2.138 8.599 20.811 0.50 35.74 ? 1 NAG A C3 1 HETATM 2608 C C4 . NAG B 2 . ? -3.412 9.263 21.330 0.50 36.53 ? 1 NAG A C4 1 HETATM 2609 C C5 . NAG B 2 . ? -4.314 8.228 21.995 0.50 36.41 ? 1 NAG A C5 1 HETATM 2610 C C6 . NAG B 2 . ? -5.627 8.822 22.499 0.50 36.15 ? 1 NAG A C6 1 HETATM 2611 C C7 . NAG B 2 . ? -0.880 6.276 18.459 0.50 33.32 ? 1 NAG A C7 1 HETATM 2612 C C8 . NAG B 2 . ? 0.300 5.367 18.299 0.50 32.80 ? 1 NAG A C8 1 HETATM 2613 N N2 . NAG B 2 . ? -1.231 6.606 19.700 0.50 34.13 ? 1 NAG A N2 1 HETATM 2614 O O3 . NAG B 2 . ? -1.422 9.527 20.031 0.50 36.07 ? 1 NAG A O3 1 HETATM 2615 O O4 . NAG B 2 . ? -3.082 10.248 22.276 0.50 38.22 ? 1 NAG A O4 1 HETATM 2616 O O5 . NAG B 2 . ? -4.603 7.209 21.064 0.50 36.19 ? 1 NAG A O5 1 HETATM 2617 O O6 . NAG B 2 . ? -6.186 9.666 21.520 0.50 35.98 ? 1 NAG A O6 1 HETATM 2618 O O7 . NAG B 2 . ? -1.474 6.681 17.462 0.50 33.04 ? 1 NAG A O7 1 HETATM 2619 C C1 . NAG C 2 . ? -3.506 11.538 21.807 0.50 39.92 ? 2 NAG A C1 1 HETATM 2620 C C2 . NAG C 2 . ? -3.364 12.557 22.941 0.50 40.65 ? 2 NAG A C2 1 HETATM 2621 C C3 . NAG C 2 . ? -3.660 13.984 22.478 0.50 41.77 ? 2 NAG A C3 1 HETATM 2622 C C4 . NAG C 2 . ? -3.016 14.317 21.130 0.50 42.89 ? 2 NAG A C4 1 HETATM 2623 C C5 . NAG C 2 . ? -3.180 13.178 20.122 0.50 41.89 ? 2 NAG A C5 1 HETATM 2624 C C6 . NAG C 2 . ? -2.375 13.435 18.854 0.50 41.86 ? 2 NAG A C6 1 HETATM 2625 C C7 . NAG C 2 . ? -3.790 11.885 25.271 0.50 40.60 ? 2 NAG A C7 1 HETATM 2626 C C8 . NAG C 2 . ? -4.830 11.547 26.298 0.50 39.71 ? 2 NAG A C8 1 HETATM 2627 N N2 . NAG C 2 . ? -4.236 12.214 24.053 0.50 40.74 ? 2 NAG A N2 1 HETATM 2628 O O3 . NAG C 2 . ? -3.176 14.881 23.452 0.50 41.60 ? 2 NAG A O3 1 HETATM 2629 O O4 . NAG C 2 . ? -3.557 15.526 20.620 0.50 45.64 ? 2 NAG A O4 1 HETATM 2630 O O5 . NAG C 2 . ? -2.756 11.948 20.682 0.50 40.59 ? 2 NAG A O5 1 HETATM 2631 O O6 . NAG C 2 . ? -1.050 12.989 19.034 0.50 41.93 ? 2 NAG A O6 1 HETATM 2632 O O7 . NAG C 2 . ? -2.597 11.844 25.577 0.50 40.95 ? 2 NAG A O7 1 HETATM 2633 C C1 . MAN D 3 . ? -2.445 16.416 20.414 0.50 48.97 ? 3 MAN A C1 1 HETATM 2634 C C2 . MAN D 3 . ? -1.641 16.537 21.718 0.50 50.20 ? 3 MAN A C2 1 HETATM 2635 C C3 . MAN D 3 . ? -2.052 17.736 22.579 0.50 51.29 ? 3 MAN A C3 1 HETATM 2636 C C4 . MAN D 3 . ? -2.195 19.012 21.755 0.50 52.18 ? 3 MAN A C4 1 HETATM 2637 C C5 . MAN D 3 . ? -3.130 18.788 20.559 0.50 51.45 ? 3 MAN A C5 1 HETATM 2638 C C6 . MAN D 3 . ? -3.192 20.026 19.660 0.50 51.37 ? 3 MAN A C6 1 HETATM 2639 O O2 . MAN D 3 . ? -0.265 16.599 21.405 0.50 50.52 ? 3 MAN A O2 1 HETATM 2640 O O3 . MAN D 3 . ? -1.113 17.958 23.609 0.50 51.25 ? 3 MAN A O3 1 HETATM 2641 O O4 . MAN D 3 . ? -2.695 20.015 22.614 0.50 54.56 ? 3 MAN A O4 1 HETATM 2642 O O5 . MAN D 3 . ? -2.740 17.661 19.767 0.50 50.32 ? 3 MAN A O5 1 HETATM 2643 O O6 . MAN D 3 . ? -1.909 20.604 19.507 0.50 51.82 ? 3 MAN A O6 1 HETATM 2644 C C1 . BMA E 4 . ? -2.656 21.308 21.976 0.50 56.39 ? 4 BMA A C1 1 HETATM 2645 C C2 . BMA E 4 . ? -3.977 22.026 22.278 0.50 56.79 ? 4 BMA A C2 1 HETATM 2646 C C3 . BMA E 4 . ? -3.957 23.494 21.837 0.50 57.32 ? 4 BMA A C3 1 HETATM 2647 C C4 . BMA E 4 . ? -2.673 24.192 22.291 0.50 57.46 ? 4 BMA A C4 1 HETATM 2648 C C5 . BMA E 4 . ? -1.471 23.376 21.821 0.50 57.41 ? 4 BMA A C5 1 HETATM 2649 C C6 . BMA E 4 . ? -0.153 24.041 22.202 0.50 58.30 ? 4 BMA A C6 1 HETATM 2650 O O2 . BMA E 4 . ? -4.229 21.937 23.666 0.50 56.86 ? 4 BMA A O2 1 HETATM 2651 O O3 . BMA E 4 . ? -5.088 24.173 22.346 0.50 57.79 ? 4 BMA A O3 1 HETATM 2652 O O4 . BMA E 4 . ? -2.615 25.514 21.797 0.50 57.46 ? 4 BMA A O4 1 HETATM 2653 O O5 . BMA E 4 . ? -1.543 22.085 22.400 0.50 56.99 ? 4 BMA A O5 1 HETATM 2654 O O6 . BMA E 4 . ? 0.280 24.854 21.119 0.50 59.05 ? 4 BMA A O6 1 HETATM 2655 C C1 . MAN F 3 . ? -1.479 20.425 18.143 0.50 52.40 ? 5 MAN A C1 1 HETATM 2656 C C2 . MAN F 3 . ? 0.014 20.753 17.982 0.50 52.48 ? 5 MAN A C2 1 HETATM 2657 C C3 . MAN F 3 . ? 0.277 22.231 17.670 0.50 52.48 ? 5 MAN A C3 1 HETATM 2658 C C4 . MAN F 3 . ? -0.650 22.733 16.571 0.50 52.84 ? 5 MAN A C4 1 HETATM 2659 C C5 . MAN F 3 . ? -2.114 22.435 16.934 0.50 52.85 ? 5 MAN A C5 1 HETATM 2660 C C6 . MAN F 3 . ? -3.100 22.942 15.875 0.50 52.57 ? 5 MAN A C6 1 HETATM 2661 O O2 . MAN F 3 . ? 0.560 19.935 16.967 0.50 52.76 ? 5 MAN A O2 1 HETATM 2662 O O3 . MAN F 3 . ? 1.616 22.427 17.265 0.50 52.48 ? 5 MAN A O3 1 HETATM 2663 O O4 . MAN F 3 . ? -0.393 24.107 16.349 0.50 53.11 ? 5 MAN A O4 1 HETATM 2664 O O5 . MAN F 3 . ? -2.312 21.040 17.161 0.50 52.67 ? 5 MAN A O5 1 HETATM 2665 O O6 . MAN F 3 . ? -3.349 21.938 14.914 0.50 52.72 ? 5 MAN A O6 1 HETATM 2666 C C1 . NAG G 2 . ? 43.304 9.695 20.491 0.50 34.00 ? 687 NAG A C1 1 HETATM 2667 C C2 . NAG G 2 . ? 43.933 9.678 19.100 0.50 33.64 ? 687 NAG A C2 1 HETATM 2668 C C3 . NAG G 2 . ? 44.954 10.809 18.946 0.50 34.32 ? 687 NAG A C3 1 HETATM 2669 C C4 . NAG G 2 . ? 44.490 12.165 19.493 0.50 34.62 ? 687 NAG A C4 1 HETATM 2670 C C5 . NAG G 2 . ? 43.646 12.059 20.766 0.50 34.22 ? 687 NAG A C5 1 HETATM 2671 C C6 . NAG G 2 . ? 42.832 13.337 20.919 0.50 33.67 ? 687 NAG A C6 1 HETATM 2672 C C7 . NAG G 2 . ? 44.135 7.487 17.942 0.50 32.27 ? 687 NAG A C7 1 HETATM 2673 C C8 . NAG G 2 . ? 45.057 6.335 17.651 0.50 31.50 ? 687 NAG A C8 1 HETATM 2674 N N2 . NAG G 2 . ? 44.564 8.389 18.840 0.50 33.09 ? 687 NAG A N2 1 HETATM 2675 O O3 . NAG G 2 . ? 45.232 10.966 17.575 0.50 34.28 ? 687 NAG A O3 1 HETATM 2676 O O4 . NAG G 2 . ? 45.610 12.985 19.783 0.50 35.65 ? 687 NAG A O4 1 HETATM 2677 O O5 . NAG G 2 . ? 42.742 10.966 20.747 0.50 34.53 ? 687 NAG A O5 1 HETATM 2678 O O6 . NAG G 2 . ? 42.316 13.708 19.660 0.50 32.39 ? 687 NAG A O6 1 HETATM 2679 O O7 . NAG G 2 . ? 43.051 7.543 17.361 0.50 30.87 ? 687 NAG A O7 1 HETATM 2680 C C1 . NAG H 2 . ? 45.538 14.232 19.057 0.50 36.22 ? 688 NAG A C1 1 HETATM 2681 C C2 . NAG H 2 . ? 46.780 15.085 19.361 0.50 36.51 ? 688 NAG A C2 1 HETATM 2682 C C3 . NAG H 2 . ? 46.799 16.363 18.520 0.50 36.48 ? 688 NAG A C3 1 HETATM 2683 C C4 . NAG H 2 . ? 46.698 16.026 17.045 0.50 36.52 ? 688 NAG A C4 1 HETATM 2684 C C5 . NAG H 2 . ? 45.501 15.115 16.762 0.50 36.27 ? 688 NAG A C5 1 HETATM 2685 C C6 . NAG H 2 . ? 45.630 14.553 15.346 0.50 35.86 ? 688 NAG A C6 1 HETATM 2686 C C7 . NAG H 2 . ? 46.140 15.884 21.681 0.50 36.51 ? 688 NAG A C7 1 HETATM 2687 C C8 . NAG H 2 . ? 45.263 17.060 21.333 0.50 36.03 ? 688 NAG A C8 1 HETATM 2688 N N2 . NAG H 2 . ? 46.999 15.393 20.778 0.50 36.43 ? 688 NAG A N2 1 HETATM 2689 O O3 . NAG H 2 . ? 48.001 17.069 18.725 0.50 36.53 ? 688 NAG A O3 1 HETATM 2690 O O4 . NAG H 2 . ? 46.590 17.237 16.322 0.50 37.30 ? 688 NAG A O4 1 HETATM 2691 O O5 . NAG H 2 . ? 45.410 14.011 17.659 0.50 36.69 ? 688 NAG A O5 1 HETATM 2692 O O6 . NAG H 2 . ? 46.779 13.733 15.249 0.50 34.28 ? 688 NAG A O6 1 HETATM 2693 O O7 . NAG H 2 . ? 46.075 15.395 22.808 0.50 36.60 ? 688 NAG A O7 1 HETATM 2694 C C1 . NAG I 2 . ? 13.631 4.283 1.418 0.50 16.13 ? 689 NAG A C1 1 HETATM 2695 C C2 . NAG I 2 . ? 13.634 5.579 0.609 0.50 15.36 ? 689 NAG A C2 1 HETATM 2696 C C3 . NAG I 2 . ? 14.438 5.370 -0.667 0.50 17.52 ? 689 NAG A C3 1 HETATM 2697 C C4 . NAG I 2 . ? 15.851 4.941 -0.309 0.50 19.12 ? 689 NAG A C4 1 HETATM 2698 C C5 . NAG I 2 . ? 15.724 3.643 0.490 0.50 17.31 ? 689 NAG A C5 1 HETATM 2699 C C6 . NAG I 2 . ? 17.067 3.068 0.898 0.50 16.64 ? 689 NAG A C6 1 HETATM 2700 C C7 . NAG I 2 . ? 11.815 7.149 0.798 0.50 12.92 ? 689 NAG A C7 1 HETATM 2701 C C8 . NAG I 2 . ? 10.349 7.441 0.605 0.50 11.42 ? 689 NAG A C8 1 HETATM 2702 N N2 . NAG I 2 . ? 12.288 6.012 0.305 0.50 12.88 ? 689 NAG A N2 1 HETATM 2703 O O3 . NAG I 2 . ? 14.487 6.551 -1.426 0.50 18.92 ? 689 NAG A O3 1 HETATM 2704 O O4 . NAG I 2 . ? 16.554 4.765 -1.519 0.50 24.18 ? 689 NAG A O4 1 HETATM 2705 O O5 . NAG I 2 . ? 14.964 3.871 1.663 0.50 15.70 ? 689 NAG A O5 1 HETATM 2706 O O6 . NAG I 2 . ? 17.509 3.779 2.031 0.50 17.69 ? 689 NAG A O6 1 HETATM 2707 O O7 . NAG I 2 . ? 12.537 7.950 1.393 0.50 12.82 ? 689 NAG A O7 1 HETATM 2708 C C1 . NAG J 2 . ? 17.881 5.319 -1.461 0.50 28.51 ? 690 NAG A C1 1 HETATM 2709 C C2 . NAG J 2 . ? 18.733 4.553 -2.465 0.50 30.67 ? 690 NAG A C2 1 HETATM 2710 C C3 . NAG J 2 . ? 20.130 5.152 -2.630 0.50 32.19 ? 690 NAG A C3 1 HETATM 2711 C C4 . NAG J 2 . ? 20.055 6.646 -2.900 0.50 33.10 ? 690 NAG A C4 1 HETATM 2712 C C5 . NAG J 2 . ? 19.230 7.272 -1.769 0.50 31.64 ? 690 NAG A C5 1 HETATM 2713 C C6 . NAG J 2 . ? 19.116 8.790 -1.880 0.50 30.87 ? 690 NAG A C6 1 HETATM 2714 C C7 . NAG J 2 . ? 18.724 2.175 -2.896 0.50 32.38 ? 690 NAG A C7 1 HETATM 2715 C C8 . NAG J 2 . ? 18.858 0.799 -2.308 0.50 32.17 ? 690 NAG A C8 1 HETATM 2716 N N2 . NAG J 2 . ? 18.842 3.178 -2.034 0.50 31.42 ? 690 NAG A N2 1 HETATM 2717 O O3 . NAG J 2 . ? 20.824 4.504 -3.676 0.50 32.90 ? 690 NAG A O3 1 HETATM 2718 O O4 . NAG J 2 . ? 21.380 7.138 -2.928 0.50 36.51 ? 690 NAG A O4 1 HETATM 2719 O O5 . NAG J 2 . ? 17.926 6.702 -1.759 0.50 30.83 ? 690 NAG A O5 1 HETATM 2720 O O6 . NAG J 2 . ? 18.035 9.251 -1.098 0.50 29.54 ? 690 NAG A O6 1 HETATM 2721 O O7 . NAG J 2 . ? 18.517 2.343 -4.106 0.50 33.05 ? 690 NAG A O7 1 HETATM 2722 C C1 . BMA K 4 . ? 21.726 7.848 -4.130 0.50 38.21 ? 691 BMA A C1 1 HETATM 2723 C C2 . BMA K 4 . ? 23.004 8.596 -3.734 0.50 39.28 ? 691 BMA A C2 1 HETATM 2724 C C3 . BMA K 4 . ? 23.532 9.480 -4.860 0.50 39.64 ? 691 BMA A C3 1 HETATM 2725 C C4 . BMA K 4 . ? 23.729 8.613 -6.103 0.50 40.24 ? 691 BMA A C4 1 HETATM 2726 C C5 . BMA K 4 . ? 22.417 7.875 -6.440 0.50 39.55 ? 691 BMA A C5 1 HETATM 2727 C C6 . BMA K 4 . ? 22.548 6.977 -7.679 0.50 39.26 ? 691 BMA A C6 1 HETATM 2728 O O2 . BMA K 4 . ? 24.002 7.645 -3.410 0.50 40.22 ? 691 BMA A O2 1 HETATM 2729 O O3 . BMA K 4 . ? 24.759 10.042 -4.456 0.50 38.87 ? 691 BMA A O3 1 HETATM 2730 O O4 . BMA K 4 . ? 24.243 9.339 -7.214 0.50 41.71 ? 691 BMA A O4 1 HETATM 2731 O O5 . BMA K 4 . ? 21.953 7.114 -5.327 0.50 38.56 ? 691 BMA A O5 1 HETATM 2732 O O6 . BMA K 4 . ? 23.296 5.810 -7.409 0.50 38.00 ? 691 BMA A O6 1 HETATM 2733 C C1 . BMA L 4 . ? 23.767 10.660 -7.509 0.50 42.40 ? 692 BMA A C1 1 HETATM 2734 C C2 . BMA L 4 . ? 22.314 10.944 -7.903 0.50 42.57 ? 692 BMA A C2 1 HETATM 2735 C C3 . BMA L 4 . ? 22.123 12.442 -8.128 0.50 43.00 ? 692 BMA A C3 1 HETATM 2736 C C4 . BMA L 4 . ? 22.612 13.204 -6.905 0.50 43.02 ? 692 BMA A C4 1 HETATM 2737 C C5 . BMA L 4 . ? 24.093 12.851 -6.712 0.50 42.93 ? 692 BMA A C5 1 HETATM 2738 C C6 . BMA L 4 . ? 24.841 13.701 -5.676 0.50 42.88 ? 692 BMA A C6 1 HETATM 2739 O O2 . BMA L 4 . ? 21.440 10.497 -6.893 0.50 42.13 ? 692 BMA A O2 1 HETATM 2740 O O3 . BMA L 4 . ? 20.769 12.739 -8.371 0.50 44.14 ? 692 BMA A O3 1 HETATM 2741 O O4 . BMA L 4 . ? 22.350 14.577 -7.068 0.50 43.21 ? 692 BMA A O4 1 HETATM 2742 O O5 . BMA L 4 . ? 24.164 11.464 -6.400 0.50 42.51 ? 692 BMA A O5 1 HETATM 2743 O O6 . BMA L 4 . ? 24.147 13.785 -4.448 0.50 42.89 ? 692 BMA A O6 1 HETATM 2744 C C1 . MAN M 3 . ? 21.171 14.898 -6.309 0.50 44.00 ? 693 MAN A C1 1 HETATM 2745 C C2 . MAN M 3 . ? 19.797 14.436 -6.818 0.50 43.69 ? 693 MAN A C2 1 HETATM 2746 C C3 . MAN M 3 . ? 18.906 15.638 -7.151 0.50 43.90 ? 693 MAN A C3 1 HETATM 2747 C C4 . MAN M 3 . ? 19.626 16.686 -8.010 0.50 44.22 ? 693 MAN A C4 1 HETATM 2748 C C5 . MAN M 3 . ? 21.022 16.976 -7.440 0.50 44.50 ? 693 MAN A C5 1 HETATM 2749 C C6 . MAN M 3 . ? 21.273 18.471 -7.268 0.50 44.86 ? 693 MAN A C6 1 HETATM 2750 O O2 . MAN M 3 . ? 19.163 13.627 -5.851 0.50 41.92 ? 693 MAN A O2 1 HETATM 2751 O O3 . MAN M 3 . ? 18.533 16.250 -5.938 0.50 44.48 ? 693 MAN A O3 1 HETATM 2752 O O4 . MAN M 3 . ? 19.769 16.233 -9.345 0.50 44.16 ? 693 MAN A O4 1 HETATM 2753 O O5 . MAN M 3 . ? 21.186 16.314 -6.195 0.50 44.50 ? 693 MAN A O5 1 HETATM 2754 O O6 . MAN M 3 . ? 21.262 18.790 -5.882 0.50 45.39 ? 693 MAN A O6 1 HETATM 2755 C C1 . BMA N 4 . ? 18.658 16.559 -10.200 0.50 43.59 ? 694 BMA A C1 1 HETATM 2756 C C2 . BMA N 4 . ? 18.404 18.081 -10.211 0.50 43.36 ? 694 BMA A C2 1 HETATM 2757 C C3 . BMA N 4 . ? 17.792 18.661 -11.508 0.50 43.41 ? 694 BMA A C3 1 HETATM 2758 C C4 . BMA N 4 . ? 18.144 17.855 -12.759 0.50 43.07 ? 694 BMA A C4 1 HETATM 2759 C C5 . BMA N 4 . ? 17.894 16.373 -12.469 0.50 42.99 ? 694 BMA A C5 1 HETATM 2760 C C6 . BMA N 4 . ? 17.955 15.436 -13.687 0.50 42.98 ? 694 BMA A C6 1 HETATM 2761 O O2 . BMA N 4 . ? 19.604 18.745 -9.867 0.50 43.38 ? 694 BMA A O2 1 HETATM 2762 O O3 . BMA N 4 . ? 18.183 20.008 -11.711 0.50 43.61 ? 694 BMA A O3 1 HETATM 2763 O O4 . BMA N 4 . ? 17.377 18.327 -13.843 0.50 42.32 ? 694 BMA A O4 1 HETATM 2764 O O5 . BMA N 4 . ? 18.837 15.975 -11.488 0.50 42.82 ? 694 BMA A O5 1 HETATM 2765 O O6 . BMA N 4 . ? 18.901 15.853 -14.664 0.50 42.03 ? 694 BMA A O6 1 HETATM 2766 C C1 . GLC O 5 . ? 11.822 14.426 15.738 0.50 20.68 ? 695 GLC A C1 1 HETATM 2767 C C2 . GLC O 5 . ? 13.275 14.049 15.414 0.50 20.49 ? 695 GLC A C2 1 HETATM 2768 C C3 . GLC O 5 . ? 13.679 14.404 13.983 0.50 21.73 ? 695 GLC A C3 1 HETATM 2769 C C4 . GLC O 5 . ? 12.633 13.991 12.958 0.50 22.17 ? 695 GLC A C4 1 HETATM 2770 C C5 . GLC O 5 . ? 11.199 14.325 13.372 0.50 22.10 ? 695 GLC A C5 1 HETATM 2771 C C6 . GLC O 5 . ? 10.226 13.568 12.476 0.50 22.94 ? 695 GLC A C6 1 HETATM 2772 O O1 . GLC O 5 . ? 11.669 15.840 15.943 0.50 21.10 ? 695 GLC A O1 1 HETATM 2773 O O2 . GLC O 5 . ? 14.164 14.649 16.363 0.50 17.47 ? 695 GLC A O2 1 HETATM 2774 O O3 . GLC O 5 . ? 14.869 13.696 13.617 0.50 22.63 ? 695 GLC A O3 1 HETATM 2775 O O4 . GLC O 5 . ? 12.972 14.658 11.737 0.50 22.67 ? 695 GLC A O4 1 HETATM 2776 O O5 . GLC O 5 . ? 10.928 13.945 14.727 0.50 21.38 ? 695 GLC A O5 1 HETATM 2777 O O6 . GLC O 5 . ? 9.319 14.513 11.832 0.50 25.06 ? 695 GLC A O6 1 HETATM 2778 FE FE . FE P 6 . ? 14.366 2.256 15.188 1.00 23.12 ? 696 FE A FE 1 HETATM 2779 C C . CO3 Q 7 . ? 12.949 -0.157 15.320 1.00 18.48 ? 697 CO3 A C 1 HETATM 2780 O O1 . CO3 Q 7 . ? 14.240 -0.295 15.306 1.00 18.39 ? 697 CO3 A O1 1 HETATM 2781 O O2 . CO3 Q 7 . ? 12.433 1.036 15.148 1.00 18.61 ? 697 CO3 A O2 1 HETATM 2782 O O3 . CO3 Q 7 . ? 12.195 -1.202 15.514 1.00 17.71 ? 697 CO3 A O3 1 HETATM 2783 ZN ZN . ZN R 8 . ? 14.518 22.814 24.678 1.00 21.49 ? 698 ZN A ZN 1 HETATM 2784 ZN ZN . ZN S 8 . ? 3.160 10.586 7.445 1.00 24.44 ? 699 ZN A ZN 1 HETATM 2785 S S . SO4 T 9 . ? -1.478 -6.274 -4.866 0.50 18.43 ? 700 SO4 A S 1 HETATM 2786 O O1 . SO4 T 9 . ? -0.934 -4.992 -4.446 0.50 18.81 ? 700 SO4 A O1 1 HETATM 2787 O O2 . SO4 T 9 . ? -2.927 -6.131 -5.055 0.50 17.80 ? 700 SO4 A O2 1 HETATM 2788 O O3 . SO4 T 9 . ? -0.798 -6.645 -6.113 0.50 18.22 ? 700 SO4 A O3 1 HETATM 2789 O O4 . SO4 T 9 . ? -1.217 -7.282 -3.834 0.50 17.86 ? 700 SO4 A O4 1 HETATM 2790 O O . HOH U 10 . ? 3.463 -12.205 3.768 1.00 19.73 ? 701 HOH A O 1 HETATM 2791 O O . HOH U 10 . ? 19.277 0.388 9.248 1.00 9.53 ? 702 HOH A O 1 HETATM 2792 O O . HOH U 10 . ? 5.468 -12.498 -2.932 1.00 21.38 ? 703 HOH A O 1 HETATM 2793 O O . HOH U 10 . ? 6.502 14.230 29.802 1.00 30.01 ? 704 HOH A O 1 HETATM 2794 O O . HOH U 10 . ? -3.421 -2.228 4.280 1.00 10.56 ? 705 HOH A O 1 HETATM 2795 O O . HOH U 10 . ? 5.471 -1.533 24.736 1.00 16.47 ? 706 HOH A O 1 HETATM 2796 O O . HOH U 10 . ? 22.347 -21.812 11.153 1.00 26.27 ? 707 HOH A O 1 HETATM 2797 O O . HOH U 10 . ? 22.195 12.218 32.921 1.00 12.55 ? 708 HOH A O 1 HETATM 2798 O O . HOH U 10 . ? 16.946 3.305 11.838 1.00 11.36 ? 709 HOH A O 1 HETATM 2799 O O . HOH U 10 . ? 18.103 -2.378 7.756 1.00 29.23 ? 710 HOH A O 1 HETATM 2800 O O . HOH U 10 . ? 33.742 -8.416 6.852 1.00 12.74 ? 711 HOH A O 1 HETATM 2801 O O . HOH U 10 . ? 8.538 14.007 35.682 1.00 33.36 ? 712 HOH A O 1 HETATM 2802 O O . HOH U 10 . ? 30.094 22.288 6.608 1.00 31.51 ? 713 HOH A O 1 HETATM 2803 O O . HOH U 10 . ? 27.349 -0.403 11.286 1.00 19.49 ? 714 HOH A O 1 HETATM 2804 O O . HOH U 10 . ? 29.253 23.226 18.310 1.00 47.45 ? 715 HOH A O 1 HETATM 2805 O O . HOH U 10 . ? 11.438 -10.778 14.296 1.00 2.00 ? 716 HOH A O 1 HETATM 2806 O O . HOH U 10 . ? 25.842 1.536 19.523 1.00 24.91 ? 717 HOH A O 1 HETATM 2807 O O . HOH U 10 . ? 28.663 17.457 29.544 1.00 23.19 ? 718 HOH A O 1 HETATM 2808 O O . HOH U 10 . ? 35.641 11.488 27.943 1.00 33.17 ? 719 HOH A O 1 HETATM 2809 O O . HOH U 10 . ? 25.211 -18.241 24.910 1.00 24.75 ? 720 HOH A O 1 HETATM 2810 O O . HOH U 10 . ? 25.854 -8.525 18.883 1.00 27.67 ? 721 HOH A O 1 HETATM 2811 O O . HOH U 10 . ? 1.517 -16.205 25.266 1.00 17.22 ? 722 HOH A O 1 HETATM 2812 O O . HOH U 10 . ? 14.134 9.676 37.509 1.00 38.14 ? 723 HOH A O 1 HETATM 2813 O O . HOH U 10 . ? 14.109 -4.953 23.606 1.00 24.12 ? 724 HOH A O 1 HETATM 2814 O O . HOH U 10 . ? -0.715 -4.660 28.261 1.00 32.84 ? 725 HOH A O 1 HETATM 2815 O O . HOH U 10 . ? 23.092 3.962 -4.983 1.00 39.36 ? 726 HOH A O 1 HETATM 2816 O O . HOH U 10 . ? 32.983 -6.291 5.049 1.00 34.02 ? 727 HOH A O 1 HETATM 2817 O O . HOH U 10 . ? 13.186 5.906 16.556 1.00 30.28 ? 728 HOH A O 1 HETATM 2818 O O . HOH U 10 . ? 9.409 7.247 38.790 1.00 20.07 ? 729 HOH A O 1 HETATM 2819 O O . HOH U 10 . ? 28.211 8.890 30.188 1.00 6.49 ? 730 HOH A O 1 HETATM 2820 O O . HOH U 10 . ? 10.840 -19.737 19.387 1.00 28.61 ? 731 HOH A O 1 HETATM 2821 O O . HOH U 10 . ? 26.279 19.936 20.395 1.00 39.13 ? 732 HOH A O 1 HETATM 2822 O O . HOH U 10 . ? 36.869 9.589 1.702 1.00 37.41 ? 733 HOH A O 1 HETATM 2823 O O . HOH U 10 . ? 7.194 7.134 -1.653 1.00 23.88 ? 734 HOH A O 1 HETATM 2824 O O . HOH U 10 . ? 17.918 -4.850 23.269 1.00 23.46 ? 735 HOH A O 1 HETATM 2825 O O . HOH U 10 . ? 0.155 -10.723 19.887 1.00 25.84 ? 736 HOH A O 1 HETATM 2826 O O . HOH U 10 . ? 31.699 14.019 33.873 1.00 36.27 ? 737 HOH A O 1 HETATM 2827 O O . HOH U 10 . ? 31.895 4.247 7.637 1.00 21.64 ? 738 HOH A O 1 HETATM 2828 O O . HOH U 10 . ? 9.063 11.716 -0.556 1.00 33.97 ? 739 HOH A O 1 HETATM 2829 O O . HOH U 10 . ? 24.039 -8.175 31.536 1.00 28.86 ? 740 HOH A O 1 HETATM 2830 O O . HOH U 10 . ? 30.336 20.808 2.570 1.00 42.97 ? 741 HOH A O 1 HETATM 2831 O O . HOH U 10 . ? 33.197 14.628 11.683 1.00 20.57 ? 742 HOH A O 1 HETATM 2832 O O . HOH U 10 . ? 28.499 16.945 4.080 1.00 30.50 ? 743 HOH A O 1 HETATM 2833 O O . HOH U 10 . ? 19.356 -0.728 14.152 1.00 21.18 ? 744 HOH A O 1 HETATM 2834 O O . HOH U 10 . ? 4.977 -11.159 -9.467 1.00 25.03 ? 745 HOH A O 1 HETATM 2835 O O . HOH U 10 . ? 25.854 -14.983 2.629 1.00 45.44 ? 746 HOH A O 1 HETATM 2836 O O . HOH U 10 . ? 21.836 -12.236 7.871 1.00 29.13 ? 747 HOH A O 1 HETATM 2837 O O . HOH U 10 . ? 29.333 -10.712 13.618 1.00 43.21 ? 748 HOH A O 1 HETATM 2838 O O . HOH U 10 . ? -0.828 -17.665 9.487 1.00 25.57 ? 749 HOH A O 1 HETATM 2839 O O . HOH U 10 . ? 6.746 -19.933 22.994 1.00 19.72 ? 750 HOH A O 1 HETATM 2840 O O . HOH U 10 . ? 28.313 -19.595 14.416 1.00 47.00 ? 751 HOH A O 1 HETATM 2841 O O . HOH U 10 . ? 12.615 1.245 38.585 1.00 29.32 ? 752 HOH A O 1 HETATM 2842 O O . HOH U 10 . ? 19.663 -12.826 10.570 1.00 15.33 ? 753 HOH A O 1 HETATM 2843 O O . HOH U 10 . ? -3.512 4.383 25.292 1.00 39.85 ? 754 HOH A O 1 HETATM 2844 O O . HOH U 10 . ? 10.513 -20.858 16.950 1.00 16.84 ? 755 HOH A O 1 HETATM 2845 O O . HOH U 10 . ? 6.012 6.257 38.609 1.00 17.99 ? 756 HOH A O 1 HETATM 2846 O O . HOH U 10 . ? 36.682 19.737 27.563 1.00 25.89 ? 757 HOH A O 1 HETATM 2847 O O . HOH U 10 . ? 12.626 5.415 5.713 1.00 15.99 ? 758 HOH A O 1 HETATM 2848 O O . HOH U 10 . ? 18.630 0.521 19.443 1.00 13.88 ? 759 HOH A O 1 HETATM 2849 O O . HOH U 10 . ? 44.307 3.708 13.488 1.00 27.78 ? 760 HOH A O 1 HETATM 2850 O O . HOH U 10 . ? 29.389 7.353 32.339 1.00 25.00 ? 761 HOH A O 1 HETATM 2851 O O . HOH U 10 . ? 5.393 -14.760 4.571 1.00 26.60 ? 762 HOH A O 1 HETATM 2852 O O . HOH U 10 . ? -0.764 4.262 6.023 1.00 13.13 ? 763 HOH A O 1 HETATM 2853 O O . HOH U 10 . ? 2.488 -19.791 7.117 1.00 29.02 ? 764 HOH A O 1 HETATM 2854 O O . HOH U 10 . ? -8.517 -3.541 4.022 1.00 30.50 ? 765 HOH A O 1 HETATM 2855 O O . HOH U 10 . ? 31.411 -12.644 16.319 1.00 49.46 ? 766 HOH A O 1 HETATM 2856 O O . HOH U 10 . ? 0.072 -5.275 30.944 1.00 35.51 ? 767 HOH A O 1 HETATM 2857 O O . HOH U 10 . ? 44.865 11.592 15.051 1.00 27.95 ? 768 HOH A O 1 HETATM 2858 O O . HOH U 10 . ? 39.359 16.140 15.241 1.00 37.40 ? 769 HOH A O 1 HETATM 2859 O O . HOH U 10 . ? 6.368 10.803 32.384 1.00 29.88 ? 770 HOH A O 1 HETATM 2860 O O . HOH U 10 . ? 3.012 0.621 5.957 1.00 30.16 ? 771 HOH A O 1 HETATM 2861 O O . HOH U 10 . ? 11.273 -21.024 6.686 1.00 28.26 ? 772 HOH A O 1 HETATM 2862 O O . HOH U 10 . ? 37.986 14.293 21.699 1.00 35.08 ? 773 HOH A O 1 HETATM 2863 O O . HOH U 10 . ? -1.110 -15.785 -4.138 1.00 20.42 ? 774 HOH A O 1 HETATM 2864 O O . HOH U 10 . ? 4.384 10.123 12.025 1.00 23.94 ? 775 HOH A O 1 HETATM 2865 O O . HOH U 10 . ? 30.659 -7.224 9.751 1.00 36.09 ? 776 HOH A O 1 HETATM 2866 O O . HOH U 10 . ? 17.010 -4.826 25.911 1.00 27.14 ? 777 HOH A O 1 HETATM 2867 O O . HOH U 10 . ? 23.249 -1.184 17.256 1.00 15.74 ? 778 HOH A O 1 HETATM 2868 O O . HOH U 10 . ? 21.935 -4.082 34.453 1.00 40.20 ? 779 HOH A O 1 HETATM 2869 O O . HOH U 10 . ? 24.612 7.553 3.553 1.00 12.18 ? 780 HOH A O 1 HETATM 2870 O O . HOH U 10 . ? 41.213 9.061 17.521 1.00 45.44 ? 781 HOH A O 1 HETATM 2871 O O . HOH U 10 . ? 15.764 17.438 -2.342 1.00 24.71 ? 782 HOH A O 1 HETATM 2872 O O . HOH U 10 . ? 30.095 23.173 1.043 1.00 37.48 ? 783 HOH A O 1 HETATM 2873 O O . HOH U 10 . ? 20.403 -10.367 10.238 1.00 44.68 ? 784 HOH A O 1 HETATM 2874 O O . HOH U 10 . ? 31.182 -12.847 12.274 1.00 57.32 ? 785 HOH A O 1 HETATM 2875 O O . HOH U 10 . ? 47.071 -2.060 10.240 1.00 45.53 ? 786 HOH A O 1 HETATM 2876 O O . HOH U 10 . ? 23.989 3.546 -2.175 1.00 40.33 ? 787 HOH A O 1 HETATM 2877 O O . HOH U 10 . ? 25.545 10.176 -1.167 1.00 32.98 ? 788 HOH A O 1 HETATM 2878 O O . HOH U 10 . ? 19.541 -9.222 -1.964 1.00 20.77 ? 789 HOH A O 1 HETATM 2879 O O . HOH U 10 . ? 5.450 -11.879 26.337 1.00 28.13 ? 790 HOH A O 1 HETATM 2880 O O . HOH U 10 . ? 22.098 -4.972 16.364 1.00 28.39 ? 791 HOH A O 1 HETATM 2881 O O . HOH U 10 . ? 31.953 -5.776 12.038 1.00 40.39 ? 792 HOH A O 1 HETATM 2882 O O . HOH U 10 . ? 47.545 13.457 24.006 1.00 38.32 ? 793 HOH A O 1 HETATM 2883 O O . HOH U 10 . ? -2.993 -19.590 20.743 1.00 29.97 ? 794 HOH A O 1 HETATM 2884 O O . HOH U 10 . ? 40.071 19.977 27.277 1.00 26.27 ? 795 HOH A O 1 HETATM 2885 O O . HOH U 10 . ? 10.038 2.495 24.626 1.00 21.28 ? 796 HOH A O 1 HETATM 2886 O O . HOH U 10 . ? -4.660 -10.360 27.346 1.00 55.48 ? 797 HOH A O 1 HETATM 2887 O O . HOH U 10 . ? 4.143 13.389 28.960 1.00 38.70 ? 798 HOH A O 1 HETATM 2888 O O . HOH U 10 . ? 21.099 0.318 7.324 1.00 42.41 ? 799 HOH A O 1 HETATM 2889 O O . HOH U 10 . ? 25.252 2.777 -6.877 1.00 36.62 ? 800 HOH A O 1 HETATM 2890 O O . HOH U 10 . ? -4.371 -8.958 -2.717 1.00 18.24 ? 801 HOH A O 1 HETATM 2891 O O . HOH U 10 . ? 19.327 19.389 26.642 1.00 44.75 ? 802 HOH A O 1 HETATM 2892 O O . HOH U 10 . ? -0.333 -2.793 -4.822 1.00 35.65 ? 803 HOH A O 1 HETATM 2893 O O . HOH U 10 . ? 10.804 3.083 38.083 1.00 28.56 ? 804 HOH A O 1 HETATM 2894 O O . HOH U 10 . ? 3.843 6.327 -8.160 1.00 22.98 ? 805 HOH A O 1 HETATM 2895 O O . HOH U 10 . ? 40.248 0.278 30.078 1.00 36.54 ? 806 HOH A O 1 HETATM 2896 O O . HOH U 10 . ? 25.041 17.906 19.329 1.00 47.81 ? 807 HOH A O 1 HETATM 2897 O O . HOH U 10 . ? 26.017 9.219 2.112 1.00 45.07 ? 808 HOH A O 1 HETATM 2898 O O . HOH U 10 . ? 29.634 25.290 2.919 1.00 28.42 ? 809 HOH A O 1 HETATM 2899 O O . HOH U 10 . ? 33.580 -5.348 29.137 1.00 38.24 ? 810 HOH A O 1 HETATM 2900 O O . HOH U 10 . ? 2.148 -21.587 9.426 1.00 16.62 ? 811 HOH A O 1 HETATM 2901 O O . HOH U 10 . ? -0.044 -19.955 9.761 1.00 37.12 ? 812 HOH A O 1 HETATM 2902 O O . HOH U 10 . ? 32.167 25.089 0.850 1.00 25.43 ? 813 HOH A O 1 HETATM 2903 O O . HOH U 10 . ? 33.983 -11.128 12.812 1.00 32.07 ? 814 HOH A O 1 HETATM 2904 O O . HOH U 10 . ? 18.627 20.846 14.281 1.00 64.09 ? 815 HOH A O 1 HETATM 2905 O O . HOH U 10 . ? 32.844 21.839 6.687 1.00 29.43 ? 816 HOH A O 1 HETATM 2906 O O . HOH U 10 . ? 37.738 -3.075 25.023 1.00 30.57 ? 817 HOH A O 1 HETATM 2907 O O . HOH U 10 . ? 31.913 23.798 9.029 1.00 57.32 ? 818 HOH A O 1 HETATM 2908 O O . HOH U 10 . ? -9.508 -12.397 19.961 1.00 41.28 ? 819 HOH A O 1 HETATM 2909 O O . HOH U 10 . ? 7.710 -2.784 -4.842 1.00 44.72 ? 820 HOH A O 1 HETATM 2910 O O . HOH U 10 . ? 11.794 -1.421 37.053 1.00 31.98 ? 821 HOH A O 1 HETATM 2911 O O . HOH U 10 . ? -11.257 -5.650 9.415 1.00 43.44 ? 822 HOH A O 1 HETATM 2912 O O . HOH U 10 . ? 28.236 -21.968 12.162 1.00 34.30 ? 823 HOH A O 1 HETATM 2913 O O . HOH U 10 . ? 7.200 -12.634 -9.053 1.00 48.18 ? 824 HOH A O 1 HETATM 2914 O O . HOH U 10 . ? 6.530 -0.143 11.287 1.00 6.95 ? 825 HOH A O 1 HETATM 2915 O O . HOH U 10 . ? 44.740 -0.170 20.367 1.00 19.54 ? 826 HOH A O 1 HETATM 2916 O O . HOH U 10 . ? 45.254 7.430 21.379 1.00 39.17 ? 827 HOH A O 1 HETATM 2917 O O . HOH U 10 . ? -10.162 -13.938 17.802 1.00 44.50 ? 828 HOH A O 1 HETATM 2918 O O . HOH U 10 . ? 7.336 0.024 24.700 1.00 35.22 ? 829 HOH A O 1 HETATM 2919 O O . HOH U 10 . ? 22.211 -13.676 12.746 1.00 24.20 ? 830 HOH A O 1 HETATM 2920 O O . HOH U 10 . ? 42.061 12.029 28.744 1.00 33.81 ? 831 HOH A O 1 HETATM 2921 O O . HOH U 10 . ? 28.884 -24.843 11.425 1.00 18.29 ? 832 HOH A O 1 HETATM 2922 O O . HOH U 10 . ? 39.027 -4.597 23.184 1.00 43.54 ? 833 HOH A O 1 HETATM 2923 O O . HOH U 10 . ? 47.093 8.656 17.238 1.00 42.01 ? 834 HOH A O 1 HETATM 2924 O O . HOH U 10 . ? 15.069 -21.128 12.055 1.00 32.91 ? 835 HOH A O 1 HETATM 2925 O O . HOH U 10 . ? 1.375 14.699 21.033 1.00 25.92 ? 836 HOH A O 1 HETATM 2926 O O . HOH U 10 . ? 34.847 20.346 29.166 1.00 32.31 ? 837 HOH A O 1 HETATM 2927 O O . HOH U 10 . ? 13.146 -21.514 8.241 1.00 45.97 ? 838 HOH A O 1 HETATM 2928 O O . HOH U 10 . ? 23.241 16.278 -3.482 1.00 31.12 ? 839 HOH A O 1 HETATM 2929 O O . HOH U 10 . ? 34.371 1.199 33.460 1.00 26.15 ? 840 HOH A O 1 HETATM 2930 O O . HOH U 10 . ? 21.808 -8.507 11.332 1.00 48.10 ? 841 HOH A O 1 HETATM 2931 O O . HOH U 10 . ? 18.831 -5.061 12.012 1.00 31.78 ? 842 HOH A O 1 HETATM 2932 O O . HOH U 10 . ? 19.664 23.807 1.584 1.00 51.78 ? 843 HOH A O 1 HETATM 2933 O O . HOH U 10 . ? 32.406 -7.710 13.785 1.00 35.98 ? 844 HOH A O 1 HETATM 2934 O O . HOH U 10 . ? 34.239 18.208 30.603 1.00 28.66 ? 845 HOH A O 1 HETATM 2935 O O . HOH U 10 . ? 10.669 -11.949 -8.954 1.00 49.70 ? 846 HOH A O 1 HETATM 2936 O O . HOH U 10 . ? 32.665 22.453 29.369 1.00 60.06 ? 847 HOH A O 1 HETATM 2937 O O . HOH U 10 . ? 46.069 5.780 13.364 1.00 36.08 ? 848 HOH A O 1 HETATM 2938 O O . HOH U 10 . ? -0.017 -12.678 -6.177 1.00 25.32 ? 849 HOH A O 1 HETATM 2939 O O . HOH U 10 . ? 5.117 -21.080 6.694 1.00 57.31 ? 850 HOH A O 1 HETATM 2940 O O . HOH U 10 . ? 22.797 -6.401 18.998 1.00 49.71 ? 851 HOH A O 1 HETATM 2941 O O . HOH U 10 . ? 26.297 -9.700 29.122 1.00 23.86 ? 852 HOH A O 1 HETATM 2942 O O . HOH U 10 . ? 10.193 -5.569 -11.627 1.00 38.11 ? 853 HOH A O 1 HETATM 2943 O O . HOH U 10 . ? 39.458 -8.887 14.434 1.00 37.86 ? 854 HOH A O 1 HETATM 2944 O O . HOH U 10 . ? 20.359 -12.108 13.830 1.00 41.75 ? 855 HOH A O 1 HETATM 2945 O O . HOH U 10 . ? 37.060 18.713 30.419 1.00 39.27 ? 856 HOH A O 1 HETATM 2946 O O . HOH U 10 . ? 4.568 12.693 35.543 1.00 31.29 ? 857 HOH A O 1 HETATM 2947 O O . HOH U 10 . ? 24.806 -10.636 30.764 1.00 24.00 ? 858 HOH A O 1 HETATM 2948 O O . HOH U 10 . ? 23.514 -8.059 34.190 1.00 39.33 ? 859 HOH A O 1 HETATM 2949 O O . HOH U 10 . ? 38.972 15.886 17.822 1.00 15.89 ? 860 HOH A O 1 HETATM 2950 O O . HOH U 10 . ? 33.870 10.510 7.538 1.00 35.07 ? 861 HOH A O 1 HETATM 2951 O O . HOH U 10 . ? 41.612 16.858 16.097 1.00 28.79 ? 862 HOH A O 1 HETATM 2952 O O . HOH U 10 . ? 2.432 -20.539 19.714 1.00 31.82 ? 863 HOH A O 1 HETATM 2953 O O . HOH U 10 . ? 32.867 14.711 1.984 1.00 56.46 ? 864 HOH A O 1 HETATM 2954 O O . HOH U 10 . ? 35.954 -3.883 11.651 1.00 34.10 ? 865 HOH A O 1 HETATM 2955 O O . HOH U 10 . ? 21.362 10.241 35.351 1.00 35.34 ? 866 HOH A O 1 HETATM 2956 O O . HOH U 10 . ? 2.724 25.893 23.169 1.00 32.17 ? 867 HOH A O 1 HETATM 2957 O O . HOH U 10 . ? -8.210 0.924 7.017 1.00 37.58 ? 868 HOH A O 1 HETATM 2958 O O . HOH U 10 . ? 1.166 -15.403 -6.166 1.00 30.40 ? 869 HOH A O 1 HETATM 2959 O O . HOH U 10 . ? 17.720 -21.998 16.472 1.00 40.78 ? 870 HOH A O 1 HETATM 2960 O O . HOH U 10 . ? 26.121 4.261 3.455 1.00 33.94 ? 871 HOH A O 1 HETATM 2961 O O . HOH U 10 . ? 21.254 -3.107 19.270 1.00 27.71 ? 872 HOH A O 1 HETATM 2962 O O . HOH U 10 . ? 23.125 -18.916 24.375 1.00 35.09 ? 873 HOH A O 1 HETATM 2963 O O . HOH U 10 . ? 5.952 -21.683 3.873 1.00 26.61 ? 874 HOH A O 1 HETATM 2964 O O . HOH U 10 . ? 0.052 -18.347 -4.913 1.00 37.14 ? 875 HOH A O 1 HETATM 2965 O O . HOH U 10 . ? 3.237 0.120 32.527 1.00 49.65 ? 876 HOH A O 1 HETATM 2966 O O . HOH U 10 . ? 20.499 -3.274 6.227 1.00 49.83 ? 877 HOH A O 1 HETATM 2967 O O . HOH U 10 . ? -5.007 5.026 -1.557 1.00 46.31 ? 878 HOH A O 1 HETATM 2968 O O . HOH U 10 . ? 27.474 -11.951 30.409 1.00 43.83 ? 879 HOH A O 1 HETATM 2969 O O . HOH U 10 . ? 1.495 -13.405 18.351 1.00 36.71 ? 880 HOH A O 1 HETATM 2970 O O . HOH U 10 . ? 4.141 -20.227 23.521 1.00 41.04 ? 881 HOH A O 1 HETATM 2971 O O . HOH U 10 . ? 11.835 -11.861 -3.952 1.00 31.45 ? 882 HOH A O 1 HETATM 2972 O O . HOH U 10 . ? -6.189 -6.639 -5.485 1.00 33.13 ? 883 HOH A O 1 HETATM 2973 O O . HOH U 10 . ? 12.965 -24.357 9.996 1.00 48.09 ? 884 HOH A O 1 HETATM 2974 O O . HOH U 10 . ? 22.935 -12.785 25.665 1.00 35.68 ? 885 HOH A O 1 HETATM 2975 O O . HOH U 10 . ? 30.778 9.839 8.762 1.00 24.38 ? 886 HOH A O 1 HETATM 2976 O O . HOH U 10 . ? 20.302 -1.279 21.458 1.00 36.99 ? 887 HOH A O 1 HETATM 2977 O O . HOH U 10 . ? -0.019 -4.459 -8.077 1.00 42.06 ? 888 HOH A O 1 HETATM 2978 O O . HOH U 10 . ? -0.875 -19.749 18.953 1.00 35.98 ? 889 HOH A O 1 HETATM 2979 O O . HOH U 10 . ? 22.725 -0.475 20.684 1.00 15.17 ? 890 HOH A O 1 HETATM 2980 O O . HOH U 10 . ? -9.033 -12.932 24.670 1.00 33.66 ? 891 HOH A O 1 HETATM 2981 O O . HOH U 10 . ? 43.599 2.278 0.745 1.00 47.89 ? 892 HOH A O 1 HETATM 2982 O O . HOH U 10 . ? -7.661 -12.612 10.023 1.00 39.37 ? 893 HOH A O 1 HETATM 2983 O O . HOH U 10 . ? 11.912 5.203 -3.029 1.00 32.22 ? 894 HOH A O 1 HETATM 2984 O O . HOH U 10 . ? 50.114 19.177 20.315 1.00 30.40 ? 895 HOH A O 1 HETATM 2985 O O . HOH U 10 . ? 38.951 -1.613 6.291 1.00 47.96 ? 896 HOH A O 1 HETATM 2986 O O . HOH U 10 . ? 6.851 -24.561 5.059 1.00 22.50 ? 897 HOH A O 1 HETATM 2987 O O . HOH U 10 . ? -12.162 -5.395 21.875 1.00 35.97 ? 898 HOH A O 1 HETATM 2988 O O . HOH U 10 . ? -7.676 -2.381 13.370 1.00 57.08 ? 899 HOH A O 1 HETATM 2989 O O . HOH U 10 . ? 15.420 -23.831 16.140 1.00 32.16 ? 900 HOH A O 1 HETATM 2990 O O . HOH U 10 . ? -9.638 -9.657 10.831 1.00 44.59 ? 901 HOH A O 1 HETATM 2991 O O . HOH U 10 . ? -7.300 -3.810 28.327 1.00 42.65 ? 902 HOH A O 1 HETATM 2992 O O . HOH U 10 . ? -9.634 -6.882 21.909 1.00 21.10 ? 903 HOH A O 1 HETATM 2993 O O . HOH U 10 . ? 45.721 8.397 10.746 1.00 27.76 ? 904 HOH A O 1 HETATM 2994 O O . HOH U 10 . ? 31.926 -18.002 12.950 1.00 44.22 ? 905 HOH A O 1 HETATM 2995 O O . HOH U 10 . ? 18.362 -21.579 9.114 1.00 47.12 ? 906 HOH A O 1 HETATM 2996 O O . HOH U 10 . ? 17.009 -24.522 14.014 1.00 43.70 ? 907 HOH A O 1 HETATM 2997 O O . HOH U 10 . ? 34.318 -3.934 4.569 1.00 44.96 ? 908 HOH A O 1 HETATM 2998 O O . HOH U 10 . ? 35.121 21.227 24.366 1.00 38.36 ? 909 HOH A O 1 HETATM 2999 O O . HOH U 10 . ? 7.478 13.546 6.838 1.00 36.77 ? 910 HOH A O 1 HETATM 3000 O O . HOH U 10 . ? 25.065 -18.236 16.264 1.00 47.81 ? 911 HOH A O 1 HETATM 3001 O O . HOH U 10 . ? 5.115 1.431 34.605 1.00 36.16 ? 912 HOH A O 1 HETATM 3002 O O . HOH U 10 . ? -9.321 -7.475 18.952 1.00 33.53 ? 913 HOH A O 1 HETATM 3003 O O . HOH U 10 . ? 42.592 6.304 30.307 1.00 51.44 ? 914 HOH A O 1 HETATM 3004 O O . HOH U 10 . ? -8.292 -16.035 25.062 1.00 47.12 ? 915 HOH A O 1 HETATM 3005 O O . HOH U 10 . ? 16.430 4.774 7.823 1.00 43.82 ? 916 HOH A O 1 HETATM 3006 O O . HOH U 10 . ? 21.587 25.385 0.856 1.00 44.45 ? 917 HOH A O 1 HETATM 3007 O O . HOH U 10 . ? -3.437 6.504 33.619 1.00 53.65 ? 918 HOH A O 1 HETATM 3008 O O . HOH U 10 . ? -8.994 10.726 23.286 1.00 25.39 ? 919 HOH A O 1 HETATM 3009 O O . HOH U 10 . ? -5.566 -4.828 21.326 1.00 30.33 ? 920 HOH A O 1 HETATM 3010 O O . HOH U 10 . ? 33.137 -20.946 13.574 1.00 47.78 ? 921 HOH A O 1 HETATM 3011 O O . HOH U 10 . ? 18.075 6.530 8.921 1.00 41.45 ? 922 HOH A O 1 HETATM 3012 O O . HOH U 10 . ? 13.379 -0.838 27.397 1.00 27.74 ? 923 HOH A O 1 HETATM 3013 O O . HOH U 10 . ? 3.461 11.003 9.588 1.00 27.37 ? 924 HOH A O 1 HETATM 3014 O O . HOH U 10 . ? 4.454 12.379 7.825 1.00 31.07 ? 925 HOH A O 1 HETATM 3015 O O . HOH U 10 . ? 1.580 9.727 8.396 1.00 34.29 ? 926 HOH A O 1 HETATM 3016 O O . HOH U 10 . ? 15.132 22.895 22.516 1.00 27.17 ? 927 HOH A O 1 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 TYR 1 342 342 TYR TYR A . n A 1 2 THR 2 343 343 THR THR A . n A 1 3 ARG 3 344 344 ARG ARG A . n A 1 4 VAL 4 345 345 VAL VAL A . n A 1 5 VAL 5 346 346 VAL VAL A . n A 1 6 TRP 6 347 347 TRP TRP A . n A 1 7 CYS 7 348 348 CYS CYS A . n A 1 8 ALA 8 349 349 ALA ALA A . n A 1 9 VAL 9 350 350 VAL VAL A . n A 1 10 GLY 10 351 351 GLY GLY A . n A 1 11 PRO 11 352 352 PRO PRO A . n A 1 12 GLU 12 353 353 GLU GLU A . n A 1 13 GLU 13 354 354 GLU GLU A . n A 1 14 GLN 14 355 355 GLN GLN A . n A 1 15 LYS 15 356 356 LYS LYS A . n A 1 16 LYS 16 357 357 LYS LYS A . n A 1 17 CYS 17 358 358 CYS CYS A . n A 1 18 GLN 18 359 359 GLN GLN A . n A 1 19 GLN 19 360 360 GLN GLN A . n A 1 20 TRP 20 361 361 TRP TRP A . n A 1 21 SER 21 362 362 SER SER A . n A 1 22 GLN 22 363 363 GLN GLN A . n A 1 23 GLN 23 364 364 GLN GLN A . n A 1 24 SER 24 365 365 SER SER A . n A 1 25 GLY 25 366 366 GLY GLY A . n A 1 26 GLN 26 367 367 GLN GLN A . n A 1 27 ASN 27 368 368 ASN ASN A . n A 1 28 VAL 28 369 369 VAL VAL A . n A 1 29 THR 29 370 370 THR THR A . n A 1 30 CYS 30 371 371 CYS CYS A . n A 1 31 ALA 31 372 372 ALA ALA A . n A 1 32 THR 32 373 373 THR THR A . n A 1 33 ALA 33 374 374 ALA ALA A . n A 1 34 SER 34 375 375 SER SER A . n A 1 35 THR 35 376 376 THR THR A . n A 1 36 THR 36 377 377 THR THR A . n A 1 37 ASP 37 378 378 ASP ASP A . n A 1 38 ASP 38 379 379 ASP ASP A . n A 1 39 CYS 39 380 380 CYS CYS A . n A 1 40 ILE 40 381 381 ILE ILE A . n A 1 41 VAL 41 382 382 VAL VAL A . n A 1 42 LEU 42 383 383 LEU LEU A . n A 1 43 VAL 43 384 384 VAL VAL A . n A 1 44 LEU 44 385 385 LEU LEU A . n A 1 45 LYS 45 386 386 LYS LYS A . n A 1 46 GLY 46 387 387 GLY GLY A . n A 1 47 GLU 47 388 388 GLU GLU A . n A 1 48 ALA 48 389 389 ALA ALA A . n A 1 49 ASP 49 390 390 ASP ASP A . n A 1 50 ALA 50 391 391 ALA ALA A . n A 1 51 LEU 51 392 392 LEU LEU A . n A 1 52 ASN 52 393 393 ASN ASN A . n A 1 53 LEU 53 394 394 LEU LEU A . n A 1 54 ASP 54 395 395 ASP ASP A . n A 1 55 GLY 55 396 396 GLY GLY A . n A 1 56 GLY 56 397 397 GLY GLY A . n A 1 57 TYR 57 398 398 TYR TYR A . n A 1 58 ILE 58 399 399 ILE ILE A . n A 1 59 TYR 59 400 400 TYR TYR A . n A 1 60 THR 60 401 401 THR THR A . n A 1 61 ALA 61 402 402 ALA ALA A . n A 1 62 GLY 62 403 403 GLY GLY A . n A 1 63 LYS 63 404 404 LYS LYS A . n A 1 64 CYS 64 405 405 CYS CYS A . n A 1 65 GLY 65 406 406 GLY GLY A . n A 1 66 LEU 66 407 407 LEU LEU A . n A 1 67 VAL 67 408 408 VAL VAL A . n A 1 68 PRO 68 409 409 PRO PRO A . n A 1 69 VAL 69 410 410 VAL VAL A . n A 1 70 LEU 70 411 411 LEU LEU A . n A 1 71 ALA 71 412 412 ALA ALA A . n A 1 72 GLU 72 413 413 GLU GLU A . n A 1 73 ASN 73 414 414 ASN ASN A . n A 1 74 ARG 74 415 415 ARG ARG A . n A 1 75 LYS 75 416 416 LYS LYS A . n A 1 76 SER 76 417 417 SER SER A . n A 1 77 SER 77 418 418 SER SER A . n A 1 78 LYS 78 419 419 LYS LYS A . n A 1 79 HIS 79 420 420 HIS HIS A . n A 1 80 SER 80 421 421 SER SER A . n A 1 81 SER 81 422 422 SER SER A . n A 1 82 LEU 82 423 423 LEU LEU A . n A 1 83 ASP 83 424 424 ASP ASP A . n A 1 84 CYS 84 425 425 CYS CYS A . n A 1 85 VAL 85 426 426 VAL VAL A . n A 1 86 LEU 86 427 427 LEU LEU A . n A 1 87 ARG 87 428 428 ARG ARG A . n A 1 88 PRO 88 429 429 PRO PRO A . n A 1 89 THR 89 430 430 THR THR A . n A 1 90 GLU 90 431 431 GLU GLU A . n A 1 91 GLY 91 432 432 GLY GLY A . n A 1 92 TYR 92 433 433 TYR TYR A . n A 1 93 LEU 93 434 434 LEU LEU A . n A 1 94 ALA 94 435 435 ALA ALA A . n A 1 95 VAL 95 436 436 VAL VAL A . n A 1 96 ALA 96 437 437 ALA ALA A . n A 1 97 VAL 97 438 438 VAL VAL A . n A 1 98 VAL 98 439 439 VAL VAL A . n A 1 99 LYS 99 440 440 LYS LYS A . n A 1 100 LYS 100 441 441 LYS LYS A . n A 1 101 ALA 101 442 442 ALA ALA A . n A 1 102 ASN 102 443 443 ASN ASN A . n A 1 103 GLU 103 444 444 GLU GLU A . n A 1 104 GLY 104 445 445 GLY GLY A . n A 1 105 LEU 105 446 446 LEU LEU A . n A 1 106 THR 106 447 447 THR THR A . n A 1 107 TRP 107 448 448 TRP TRP A . n A 1 108 ASN 108 449 449 ASN ASN A . n A 1 109 SER 109 450 450 SER SER A . n A 1 110 LEU 110 451 451 LEU LEU A . n A 1 111 LYS 111 452 452 LYS LYS A . n A 1 112 ASP 112 453 453 ASP ASP A . n A 1 113 LYS 113 454 454 LYS LYS A . n A 1 114 LYS 114 455 455 LYS LYS A . n A 1 115 SER 115 456 456 SER SER A . n A 1 116 CYS 116 457 457 CYS CYS A . n A 1 117 HIS 117 458 458 HIS HIS A . n A 1 118 THR 118 459 459 THR THR A . n A 1 119 ALA 119 460 460 ALA ALA A . n A 1 120 VAL 120 461 461 VAL VAL A . n A 1 121 ASP 121 462 462 ASP ASP A . n A 1 122 ARG 122 463 463 ARG ARG A . n A 1 123 THR 123 464 464 THR THR A . n A 1 124 ALA 124 465 465 ALA ALA A . n A 1 125 GLY 125 466 466 GLY GLY A . n A 1 126 TRP 126 467 467 TRP TRP A . n A 1 127 ASN 127 468 468 ASN ASN A . n A 1 128 ILE 128 469 469 ILE ILE A . n A 1 129 PRO 129 470 470 PRO PRO A . n A 1 130 MET 130 471 471 MET MET A . n A 1 131 GLY 131 472 472 GLY GLY A . n A 1 132 LEU 132 473 473 LEU LEU A . n A 1 133 ILE 133 474 474 ILE ILE A . n A 1 134 VAL 134 475 475 VAL VAL A . n A 1 135 ASN 135 476 476 ASN ASN A . n A 1 136 GLN 136 477 477 GLN GLN A . n A 1 137 THR 137 478 478 THR THR A . n A 1 138 GLY 138 479 479 GLY GLY A . n A 1 139 SER 139 480 480 SER SER A . n A 1 140 CYS 140 481 481 CYS CYS A . n A 1 141 ALA 141 482 482 ALA ALA A . n A 1 142 PHE 142 483 483 PHE PHE A . n A 1 143 ASP 143 484 484 ASP ASP A . n A 1 144 GLU 144 485 485 GLU GLU A . n A 1 145 PHE 145 486 486 PHE PHE A . n A 1 146 PHE 146 487 487 PHE PHE A . n A 1 147 SER 147 488 488 SER SER A . n A 1 148 GLN 148 489 489 GLN GLN A . n A 1 149 SER 149 490 490 SER SER A . n A 1 150 CYS 150 491 491 CYS CYS A . n A 1 151 ALA 151 492 492 ALA ALA A . n A 1 152 PRO 152 493 493 PRO PRO A . n A 1 153 GLY 153 494 494 GLY GLY A . n A 1 154 ALA 154 495 495 ALA ALA A . n A 1 155 ASP 155 496 496 ASP ASP A . n A 1 156 PRO 156 497 497 PRO PRO A . n A 1 157 LYS 157 498 498 LYS LYS A . n A 1 158 SER 158 499 499 SER SER A . n A 1 159 ARG 159 500 500 ARG ARG A . n A 1 160 LEU 160 501 501 LEU LEU A . n A 1 161 CYS 161 502 502 CYS CYS A . n A 1 162 ALA 162 503 503 ALA ALA A . n A 1 163 LEU 163 504 504 LEU LEU A . n A 1 164 CYS 164 505 505 CYS CYS A . n A 1 165 ALA 165 506 506 ALA ALA A . n A 1 166 GLY 166 507 507 GLY GLY A . n A 1 167 ASP 167 508 508 ASP ASP A . n A 1 168 ASP 168 509 509 ASP ASP A . n A 1 169 GLN 169 510 510 GLN GLN A . n A 1 170 GLY 170 511 511 GLY GLY A . n A 1 171 LEU 171 512 512 LEU LEU A . n A 1 172 ASP 172 513 513 ASP ASP A . n A 1 173 LYS 173 514 514 LYS LYS A . n A 1 174 CYS 174 515 515 CYS CYS A . n A 1 175 VAL 175 516 516 VAL VAL A . n A 1 176 PRO 176 517 517 PRO PRO A . n A 1 177 ASN 177 518 518 ASN ASN A . n A 1 178 SER 178 519 519 SER SER A . n A 1 179 LYS 179 520 520 LYS LYS A . n A 1 180 GLU 180 521 521 GLU GLU A . n A 1 181 LYS 181 522 522 LYS LYS A . n A 1 182 TYR 182 523 523 TYR TYR A . n A 1 183 TYR 183 524 524 TYR TYR A . n A 1 184 GLY 184 525 525 GLY GLY A . n A 1 185 TYR 185 526 526 TYR TYR A . n A 1 186 THR 186 527 527 THR THR A . n A 1 187 GLY 187 528 528 GLY GLY A . n A 1 188 ALA 188 529 529 ALA ALA A . n A 1 189 PHE 189 530 530 PHE PHE A . n A 1 190 ARG 190 531 531 ARG ARG A . n A 1 191 CYS 191 532 532 CYS CYS A . n A 1 192 LEU 192 533 533 LEU LEU A . n A 1 193 ALA 193 534 534 ALA ALA A . n A 1 194 GLU 194 535 535 GLU GLU A . n A 1 195 ASP 195 536 536 ASP ASP A . n A 1 196 VAL 196 537 537 VAL VAL A . n A 1 197 GLY 197 538 538 GLY GLY A . n A 1 198 ASP 198 539 539 ASP ASP A . n A 1 199 VAL 199 540 540 VAL VAL A . n A 1 200 ALA 200 541 541 ALA ALA A . n A 1 201 PHE 201 542 542 PHE PHE A . n A 1 202 VAL 202 543 543 VAL VAL A . n A 1 203 LYS 203 544 544 LYS LYS A . n A 1 204 ASN 204 545 545 ASN ASN A . n A 1 205 ASP 205 546 546 ASP ASP A . n A 1 206 THR 206 547 547 THR THR A . n A 1 207 VAL 207 548 548 VAL VAL A . n A 1 208 TRP 208 549 549 TRP TRP A . n A 1 209 GLU 209 550 550 GLU GLU A . n A 1 210 ASN 210 551 551 ASN ASN A . n A 1 211 THR 211 552 552 THR THR A . n A 1 212 ASN 212 553 553 ASN ASN A . n A 1 213 GLY 213 554 554 GLY GLY A . n A 1 214 GLU 214 555 555 GLU GLU A . n A 1 215 SER 215 556 556 SER SER A . n A 1 216 THR 216 557 557 THR THR A . n A 1 217 ALA 217 558 558 ALA ALA A . n A 1 218 ASP 218 559 559 ASP ASP A . n A 1 219 TRP 219 560 560 TRP TRP A . n A 1 220 ALA 220 561 561 ALA ALA A . n A 1 221 LYS 221 562 562 LYS LYS A . n A 1 222 ASN 222 563 563 ASN ASN A . n A 1 223 LEU 223 564 564 LEU LEU A . n A 1 224 LYS 224 565 565 LYS LYS A . n A 1 225 ARG 225 566 566 ARG ARG A . n A 1 226 GLU 226 567 567 GLU GLU A . n A 1 227 ASP 227 568 568 ASP ASP A . n A 1 228 PHE 228 569 569 PHE PHE A . n A 1 229 ARG 229 570 570 ARG ARG A . n A 1 230 LEU 230 571 571 LEU LEU A . n A 1 231 LEU 231 572 572 LEU LEU A . n A 1 232 CYS 232 573 573 CYS CYS A . n A 1 233 LEU 233 574 574 LEU LEU A . n A 1 234 ASP 234 575 575 ASP ASP A . n A 1 235 GLY 235 576 576 GLY GLY A . n A 1 236 THR 236 577 577 THR THR A . n A 1 237 ARG 237 578 578 ARG ARG A . n A 1 238 LYS 238 579 579 LYS LYS A . n A 1 239 PRO 239 580 580 PRO PRO A . n A 1 240 VAL 240 581 581 VAL VAL A . n A 1 241 THR 241 582 582 THR THR A . n A 1 242 GLU 242 583 583 GLU GLU A . n A 1 243 ALA 243 584 584 ALA ALA A . n A 1 244 GLN 244 585 585 GLN GLN A . n A 1 245 SER 245 586 586 SER SER A . n A 1 246 CYS 246 587 587 CYS CYS A . n A 1 247 HIS 247 588 588 HIS HIS A . n A 1 248 LEU 248 589 589 LEU LEU A . n A 1 249 ALA 249 590 590 ALA ALA A . n A 1 250 VAL 250 591 591 VAL VAL A . n A 1 251 ALA 251 592 592 ALA ALA A . n A 1 252 PRO 252 593 593 PRO PRO A . n A 1 253 ASN 253 594 594 ASN ASN A . n A 1 254 HIS 254 595 595 HIS HIS A . n A 1 255 ALA 255 596 596 ALA ALA A . n A 1 256 VAL 256 597 597 VAL VAL A . n A 1 257 VAL 257 598 598 VAL VAL A . n A 1 258 SER 258 599 599 SER SER A . n A 1 259 ARG 259 600 600 ARG ARG A . n A 1 260 SER 260 601 601 SER SER A . n A 1 261 ASP 261 602 602 ASP ASP A . n A 1 262 ARG 262 603 603 ARG ARG A . n A 1 263 ALA 263 604 604 ALA ALA A . n A 1 264 ALA 264 605 605 ALA ALA A . n A 1 265 HIS 265 606 606 HIS HIS A . n A 1 266 VAL 266 607 607 VAL VAL A . n A 1 267 GLU 267 608 608 GLU GLU A . n A 1 268 GLN 268 609 609 GLN GLN A . n A 1 269 VAL 269 610 610 VAL VAL A . n A 1 270 LEU 270 611 611 LEU LEU A . n A 1 271 LEU 271 612 612 LEU LEU A . n A 1 272 HIS 272 613 613 HIS HIS A . n A 1 273 GLN 273 614 614 GLN GLN A . n A 1 274 GLN 274 615 615 GLN GLN A . n A 1 275 ALA 275 616 616 ALA ALA A . n A 1 276 LEU 276 617 617 LEU LEU A . n A 1 277 PHE 277 618 618 PHE PHE A . n A 1 278 GLY 278 619 619 GLY GLY A . n A 1 279 LYS 279 620 620 LYS LYS A . n A 1 280 ASN 280 621 621 ASN ASN A . n A 1 281 GLY 281 622 622 GLY GLY A . n A 1 282 LYS 282 623 623 LYS LYS A . n A 1 283 ASN 283 624 624 ASN ASN A . n A 1 284 CYS 284 625 625 CYS CYS A . n A 1 285 PRO 285 626 626 PRO PRO A . n A 1 286 ASP 286 627 627 ASP ASP A . n A 1 287 LYS 287 628 628 LYS LYS A . n A 1 288 PHE 288 629 629 PHE PHE A . n A 1 289 CYS 289 630 630 CYS CYS A . n A 1 290 LEU 290 631 631 LEU LEU A . n A 1 291 PHE 291 632 632 PHE PHE A . n A 1 292 LYS 292 633 633 LYS LYS A . n A 1 293 SER 293 634 634 SER SER A . n A 1 294 GLU 294 635 635 GLU GLU A . n A 1 295 THR 295 636 636 THR THR A . n A 1 296 LYS 296 637 637 LYS LYS A . n A 1 297 ASN 297 638 638 ASN ASN A . n A 1 298 LEU 298 639 639 LEU LEU A . n A 1 299 LEU 299 640 640 LEU LEU A . n A 1 300 PHE 300 641 641 PHE PHE A . n A 1 301 ASN 301 642 642 ASN ASN A . n A 1 302 ASP 302 643 643 ASP ASP A . n A 1 303 ASN 303 644 644 ASN ASN A . n A 1 304 THR 304 645 645 THR THR A . n A 1 305 GLU 305 646 646 GLU GLU A . n A 1 306 CYS 306 647 647 CYS CYS A . n A 1 307 LEU 307 648 648 LEU LEU A . n A 1 308 ALA 308 649 649 ALA ALA A . n A 1 309 LYS 309 650 650 LYS LYS A . n A 1 310 LEU 310 651 651 LEU LEU A . n A 1 311 GLY 311 652 652 GLY GLY A . n A 1 312 GLY 312 653 653 GLY GLY A . n A 1 313 ARG 313 654 654 ARG ARG A . n A 1 314 PRO 314 655 655 PRO PRO A . n A 1 315 THR 315 656 656 THR THR A . n A 1 316 TYR 316 657 657 TYR TYR A . n A 1 317 GLU 317 658 658 GLU GLU A . n A 1 318 GLU 318 659 659 GLU GLU A . n A 1 319 TYR 319 660 660 TYR TYR A . n A 1 320 LEU 320 661 661 LEU LEU A . n A 1 321 GLY 321 662 662 GLY GLY A . n A 1 322 THR 322 663 663 THR THR A . n A 1 323 GLU 323 664 664 GLU GLU A . n A 1 324 TYR 324 665 665 TYR TYR A . n A 1 325 VAL 325 666 666 VAL VAL A . n A 1 326 THR 326 667 667 THR THR A . n A 1 327 ALA 327 668 668 ALA ALA A . n A 1 328 ILE 328 669 669 ILE ILE A . n A 1 329 ALA 329 670 670 ALA ALA A . n A 1 330 ASN 330 671 671 ASN ASN A . n A 1 331 LEU 331 672 672 LEU LEU A . n A 1 332 LYS 332 673 673 LYS LYS A . n A 1 333 LYS 333 674 674 LYS LYS A . n A 1 334 CYS 334 675 675 CYS CYS A . n A 1 335 SER 335 676 676 SER SER A . n A 1 336 THR 336 677 ? ? ? A . n A 1 337 SER 337 678 ? ? ? A . n A 1 338 PRO 338 679 ? ? ? A . n A 1 339 LEU 339 680 ? ? ? A . n A 1 340 LEU 340 681 681 LEU LEU A . n A 1 341 GLU 341 682 682 GLU GLU A . n A 1 342 ALA 342 683 683 ALA ALA A . n A 1 343 CYS 343 684 684 CYS CYS A . n A 1 344 ALA 344 685 685 ALA ALA A . n A 1 345 PHE 345 686 686 PHE PHE A . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 NAG 1 1 1 NAG NAG A . C 2 NAG 2 2 2 NAG NAG A . D 3 MAN 3 3 3 MAN MAN A . E 4 BMA 4 4 4 BMA MAN A . F 3 MAN 5 5 5 MAN MAN A . G 2 NAG 1 687 1 NAG NAG A . H 2 NAG 2 688 2 NAG NAG A . I 2 NAG 1 689 1 NAG NAG A . J 2 NAG 2 690 2 NAG NAG A . K 4 BMA 3 691 3 BMA MAN A . L 4 BMA 4 692 4 BMA MAN A . M 3 MAN 5 693 5 MAN MAN A . N 4 BMA 6 694 6 BMA MAN A . O 5 GLC 1 695 1 GLC AGC A . P 6 FE 1 696 1 FE FE A . Q 7 CO3 1 697 2 CO3 CO3 A . R 8 ZN 1 698 3 ZN ZN A . S 8 ZN 1 699 4 ZN ZN A . T 9 SO4 1 700 5 SO4 SO4 A . U 10 HOH 1 701 1 HOH HOH A . U 10 HOH 2 702 2 HOH HOH A . U 10 HOH 3 703 3 HOH HOH A . U 10 HOH 4 704 4 HOH HOH A . U 10 HOH 5 705 5 HOH HOH A . U 10 HOH 6 706 6 HOH HOH A . U 10 HOH 7 707 7 HOH HOH A . U 10 HOH 8 708 8 HOH HOH A . U 10 HOH 9 709 9 HOH HOH A . U 10 HOH 10 710 10 HOH HOH A . U 10 HOH 11 711 11 HOH HOH A . U 10 HOH 12 712 12 HOH HOH A . U 10 HOH 13 713 13 HOH HOH A . U 10 HOH 14 714 14 HOH HOH A . U 10 HOH 15 715 15 HOH HOH A . U 10 HOH 16 716 16 HOH HOH A . U 10 HOH 17 717 17 HOH HOH A . U 10 HOH 18 718 18 HOH HOH A . U 10 HOH 19 719 19 HOH HOH A . U 10 HOH 20 720 20 HOH HOH A . U 10 HOH 21 721 21 HOH HOH A . U 10 HOH 22 722 22 HOH HOH A . U 10 HOH 23 723 23 HOH HOH A . U 10 HOH 24 724 24 HOH HOH A . U 10 HOH 25 725 25 HOH HOH A . U 10 HOH 26 726 26 HOH HOH A . U 10 HOH 27 727 27 HOH HOH A . U 10 HOH 28 728 28 HOH HOH A . U 10 HOH 29 729 29 HOH HOH A . U 10 HOH 30 730 30 HOH HOH A . U 10 HOH 31 731 31 HOH HOH A . U 10 HOH 32 732 32 HOH HOH A . U 10 HOH 33 733 33 HOH HOH A . U 10 HOH 34 734 34 HOH HOH A . U 10 HOH 35 735 35 HOH HOH A . U 10 HOH 36 736 36 HOH HOH A . U 10 HOH 37 737 37 HOH HOH A . U 10 HOH 38 738 38 HOH HOH A . U 10 HOH 39 739 39 HOH HOH A . U 10 HOH 40 740 40 HOH HOH A . U 10 HOH 41 741 41 HOH HOH A . U 10 HOH 42 742 42 HOH HOH A . U 10 HOH 43 743 43 HOH HOH A . U 10 HOH 44 744 44 HOH HOH A . U 10 HOH 45 745 45 HOH HOH A . U 10 HOH 46 746 46 HOH HOH A . U 10 HOH 47 747 47 HOH HOH A . U 10 HOH 48 748 48 HOH HOH A . U 10 HOH 49 749 49 HOH HOH A . U 10 HOH 50 750 50 HOH HOH A . U 10 HOH 51 751 51 HOH HOH A . U 10 HOH 52 752 52 HOH HOH A . U 10 HOH 53 753 53 HOH HOH A . U 10 HOH 54 754 54 HOH HOH A . U 10 HOH 55 755 55 HOH HOH A . U 10 HOH 56 756 56 HOH HOH A . U 10 HOH 57 757 57 HOH HOH A . U 10 HOH 58 758 58 HOH HOH A . U 10 HOH 59 759 59 HOH HOH A . U 10 HOH 60 760 60 HOH HOH A . U 10 HOH 61 761 61 HOH HOH A . U 10 HOH 62 762 62 HOH HOH A . U 10 HOH 63 763 63 HOH HOH A . U 10 HOH 64 764 64 HOH HOH A . U 10 HOH 65 765 65 HOH HOH A . U 10 HOH 66 766 66 HOH HOH A . U 10 HOH 67 767 67 HOH HOH A . U 10 HOH 68 768 68 HOH HOH A . U 10 HOH 69 769 69 HOH HOH A . U 10 HOH 70 770 70 HOH HOH A . U 10 HOH 71 771 71 HOH HOH A . U 10 HOH 72 772 72 HOH HOH A . U 10 HOH 73 773 73 HOH HOH A . U 10 HOH 74 774 74 HOH HOH A . U 10 HOH 75 775 75 HOH HOH A . U 10 HOH 76 776 76 HOH HOH A . U 10 HOH 77 777 77 HOH HOH A . U 10 HOH 78 778 78 HOH HOH A . U 10 HOH 79 779 79 HOH HOH A . U 10 HOH 80 780 80 HOH HOH A . U 10 HOH 81 781 81 HOH HOH A . U 10 HOH 82 782 82 HOH HOH A . U 10 HOH 83 783 83 HOH HOH A . U 10 HOH 84 784 84 HOH HOH A . U 10 HOH 85 785 85 HOH HOH A . U 10 HOH 86 786 86 HOH HOH A . U 10 HOH 87 787 87 HOH HOH A . U 10 HOH 88 788 88 HOH HOH A . U 10 HOH 89 789 89 HOH HOH A . U 10 HOH 90 790 90 HOH HOH A . U 10 HOH 91 791 91 HOH HOH A . U 10 HOH 92 792 92 HOH HOH A . U 10 HOH 93 793 93 HOH HOH A . U 10 HOH 94 794 94 HOH HOH A . U 10 HOH 95 795 95 HOH HOH A . U 10 HOH 96 796 96 HOH HOH A . U 10 HOH 97 797 97 HOH HOH A . U 10 HOH 98 798 98 HOH HOH A . U 10 HOH 99 799 99 HOH HOH A . U 10 HOH 100 800 100 HOH HOH A . U 10 HOH 101 801 101 HOH HOH A . U 10 HOH 102 802 102 HOH HOH A . U 10 HOH 103 803 103 HOH HOH A . U 10 HOH 104 804 104 HOH HOH A . U 10 HOH 105 805 105 HOH HOH A . U 10 HOH 106 806 106 HOH HOH A . U 10 HOH 107 807 107 HOH HOH A . U 10 HOH 108 808 108 HOH HOH A . U 10 HOH 109 809 109 HOH HOH A . U 10 HOH 110 810 110 HOH HOH A . U 10 HOH 111 811 111 HOH HOH A . U 10 HOH 112 812 112 HOH HOH A . U 10 HOH 113 813 113 HOH HOH A . U 10 HOH 114 814 114 HOH HOH A . U 10 HOH 115 815 115 HOH HOH A . U 10 HOH 116 816 116 HOH HOH A . U 10 HOH 117 817 117 HOH HOH A . U 10 HOH 118 818 118 HOH HOH A . U 10 HOH 119 819 119 HOH HOH A . U 10 HOH 120 820 120 HOH HOH A . U 10 HOH 121 821 121 HOH HOH A . U 10 HOH 122 822 122 HOH HOH A . U 10 HOH 123 823 123 HOH HOH A . U 10 HOH 124 824 124 HOH HOH A . U 10 HOH 125 825 125 HOH HOH A . U 10 HOH 126 826 126 HOH HOH A . U 10 HOH 127 827 127 HOH HOH A . U 10 HOH 128 828 128 HOH HOH A . U 10 HOH 129 829 129 HOH HOH A . U 10 HOH 130 830 130 HOH HOH A . U 10 HOH 131 831 131 HOH HOH A . U 10 HOH 132 832 132 HOH HOH A . U 10 HOH 133 833 133 HOH HOH A . U 10 HOH 134 834 134 HOH HOH A . U 10 HOH 135 835 135 HOH HOH A . U 10 HOH 136 836 136 HOH HOH A . U 10 HOH 137 837 137 HOH HOH A . U 10 HOH 138 838 138 HOH HOH A . U 10 HOH 139 839 139 HOH HOH A . U 10 HOH 140 840 140 HOH HOH A . U 10 HOH 141 841 141 HOH HOH A . U 10 HOH 142 842 142 HOH HOH A . U 10 HOH 143 843 143 HOH HOH A . U 10 HOH 144 844 144 HOH HOH A . U 10 HOH 145 845 145 HOH HOH A . U 10 HOH 146 846 146 HOH HOH A . U 10 HOH 147 847 147 HOH HOH A . U 10 HOH 148 848 148 HOH HOH A . U 10 HOH 149 849 149 HOH HOH A . U 10 HOH 150 850 150 HOH HOH A . U 10 HOH 151 851 151 HOH HOH A . U 10 HOH 152 852 152 HOH HOH A . U 10 HOH 153 853 153 HOH HOH A . U 10 HOH 154 854 154 HOH HOH A . U 10 HOH 155 855 155 HOH HOH A . U 10 HOH 156 856 156 HOH HOH A . U 10 HOH 157 857 157 HOH HOH A . U 10 HOH 158 858 158 HOH HOH A . U 10 HOH 159 859 159 HOH HOH A . U 10 HOH 160 860 160 HOH HOH A . U 10 HOH 161 861 161 HOH HOH A . U 10 HOH 162 862 162 HOH HOH A . U 10 HOH 163 863 163 HOH HOH A . U 10 HOH 164 864 164 HOH HOH A . U 10 HOH 165 865 165 HOH HOH A . U 10 HOH 166 866 166 HOH HOH A . U 10 HOH 167 867 167 HOH HOH A . U 10 HOH 168 868 168 HOH HOH A . U 10 HOH 169 869 169 HOH HOH A . U 10 HOH 170 870 170 HOH HOH A . U 10 HOH 171 871 171 HOH HOH A . U 10 HOH 172 872 172 HOH HOH A . U 10 HOH 173 873 173 HOH HOH A . U 10 HOH 174 874 174 HOH HOH A . U 10 HOH 175 875 175 HOH HOH A . U 10 HOH 176 876 176 HOH HOH A . U 10 HOH 177 877 177 HOH HOH A . U 10 HOH 178 878 178 HOH HOH A . U 10 HOH 179 879 179 HOH HOH A . U 10 HOH 180 880 180 HOH HOH A . U 10 HOH 181 881 181 HOH HOH A . U 10 HOH 182 882 182 HOH HOH A . U 10 HOH 183 883 183 HOH HOH A . U 10 HOH 184 884 184 HOH HOH A . U 10 HOH 185 885 185 HOH HOH A . U 10 HOH 186 886 186 HOH HOH A . U 10 HOH 187 887 187 HOH HOH A . U 10 HOH 188 888 188 HOH HOH A . U 10 HOH 189 889 189 HOH HOH A . U 10 HOH 190 890 190 HOH HOH A . U 10 HOH 191 891 191 HOH HOH A . U 10 HOH 192 892 192 HOH HOH A . U 10 HOH 193 893 193 HOH HOH A . U 10 HOH 194 894 194 HOH HOH A . U 10 HOH 195 895 195 HOH HOH A . U 10 HOH 196 896 196 HOH HOH A . U 10 HOH 197 897 197 HOH HOH A . U 10 HOH 198 898 198 HOH HOH A . U 10 HOH 199 899 199 HOH HOH A . U 10 HOH 200 900 200 HOH HOH A . U 10 HOH 201 901 201 HOH HOH A . U 10 HOH 202 902 202 HOH HOH A . U 10 HOH 203 903 203 HOH HOH A . U 10 HOH 204 904 204 HOH HOH A . U 10 HOH 205 905 205 HOH HOH A . U 10 HOH 206 906 206 HOH HOH A . U 10 HOH 207 907 207 HOH HOH A . U 10 HOH 208 908 208 HOH HOH A . U 10 HOH 209 909 209 HOH HOH A . U 10 HOH 210 910 210 HOH HOH A . U 10 HOH 211 911 211 HOH HOH A . U 10 HOH 212 912 212 HOH HOH A . U 10 HOH 213 913 213 HOH HOH A . U 10 HOH 214 914 214 HOH HOH A . U 10 HOH 215 915 215 HOH HOH A . U 10 HOH 216 916 216 HOH HOH A . U 10 HOH 217 917 217 HOH HOH A . U 10 HOH 218 918 218 HOH HOH A . U 10 HOH 219 919 219 HOH HOH A . U 10 HOH 220 920 220 HOH HOH A . U 10 HOH 221 921 221 HOH HOH A . U 10 HOH 222 922 222 HOH HOH A . U 10 HOH 223 923 223 HOH HOH A . U 10 HOH 224 924 224 HOH HOH A . U 10 HOH 225 925 225 HOH HOH A . U 10 HOH 226 926 226 HOH HOH A . U 10 HOH 227 927 227 HOH HOH A . # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 A ASN 27 A ASN 368 ? ASN 'GLYCOSYLATION SITE' 2 A ASN 135 A ASN 476 ? ASN 'GLYCOSYLATION SITE' 3 A ASN 204 A ASN 545 ? ASN 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_defined_assembly _pdbx_struct_assembly.method_details ? _pdbx_struct_assembly.oligomeric_details monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_struct_conn_angle.id _pdbx_struct_conn_angle.ptnr1_label_atom_id _pdbx_struct_conn_angle.ptnr1_label_alt_id _pdbx_struct_conn_angle.ptnr1_label_asym_id _pdbx_struct_conn_angle.ptnr1_label_comp_id _pdbx_struct_conn_angle.ptnr1_label_seq_id _pdbx_struct_conn_angle.ptnr1_auth_atom_id _pdbx_struct_conn_angle.ptnr1_auth_asym_id _pdbx_struct_conn_angle.ptnr1_auth_comp_id _pdbx_struct_conn_angle.ptnr1_auth_seq_id _pdbx_struct_conn_angle.ptnr1_PDB_ins_code _pdbx_struct_conn_angle.ptnr1_symmetry _pdbx_struct_conn_angle.ptnr2_label_atom_id _pdbx_struct_conn_angle.ptnr2_label_alt_id _pdbx_struct_conn_angle.ptnr2_label_asym_id _pdbx_struct_conn_angle.ptnr2_label_comp_id _pdbx_struct_conn_angle.ptnr2_label_seq_id _pdbx_struct_conn_angle.ptnr2_auth_atom_id _pdbx_struct_conn_angle.ptnr2_auth_asym_id _pdbx_struct_conn_angle.ptnr2_auth_comp_id _pdbx_struct_conn_angle.ptnr2_auth_seq_id _pdbx_struct_conn_angle.ptnr2_PDB_ins_code _pdbx_struct_conn_angle.ptnr2_symmetry _pdbx_struct_conn_angle.ptnr3_label_atom_id _pdbx_struct_conn_angle.ptnr3_label_alt_id _pdbx_struct_conn_angle.ptnr3_label_asym_id _pdbx_struct_conn_angle.ptnr3_label_comp_id _pdbx_struct_conn_angle.ptnr3_label_seq_id _pdbx_struct_conn_angle.ptnr3_auth_atom_id _pdbx_struct_conn_angle.ptnr3_auth_asym_id _pdbx_struct_conn_angle.ptnr3_auth_comp_id _pdbx_struct_conn_angle.ptnr3_auth_seq_id _pdbx_struct_conn_angle.ptnr3_PDB_ins_code _pdbx_struct_conn_angle.ptnr3_symmetry _pdbx_struct_conn_angle.value _pdbx_struct_conn_angle.value_esd 1 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? P FE . ? A FE 696 ? 1_555 OH ? A TYR 92 ? A TYR 433 ? 1_555 97.2 ? 2 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? P FE . ? A FE 696 ? 1_555 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 162.5 ? 3 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? P FE . ? A FE 696 ? 1_555 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 100.0 ? 4 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? P FE . ? A FE 696 ? 1_555 O2 ? Q CO3 . ? A CO3 697 ? 1_555 96.0 ? 5 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? P FE . ? A FE 696 ? 1_555 O2 ? Q CO3 . ? A CO3 697 ? 1_555 95.6 ? 6 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? P FE . ? A FE 696 ? 1_555 O2 ? Q CO3 . ? A CO3 697 ? 1_555 86.1 ? 7 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? P FE . ? A FE 696 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 78.0 ? 8 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? P FE . ? A FE 696 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 100.4 ? 9 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? P FE . ? A FE 696 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 95.1 ? 10 O2 ? Q CO3 . ? A CO3 697 ? 1_555 FE ? P FE . ? A FE 696 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 163.5 ? 11 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? P FE . ? A FE 696 ? 1_555 O1 ? Q CO3 . ? A CO3 697 ? 1_555 74.7 ? 12 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? P FE . ? A FE 696 ? 1_555 O1 ? Q CO3 . ? A CO3 697 ? 1_555 147.3 ? 13 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? P FE . ? A FE 696 ? 1_555 O1 ? Q CO3 . ? A CO3 697 ? 1_555 92.7 ? 14 O2 ? Q CO3 . ? A CO3 697 ? 1_555 FE ? P FE . ? A FE 696 ? 1_555 O1 ? Q CO3 . ? A CO3 697 ? 1_555 55.0 ? 15 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 FE ? P FE . ? A FE 696 ? 1_555 O1 ? Q CO3 . ? A CO3 697 ? 1_555 108.4 ? 16 OE2 ? A GLU 318 ? A GLU 659 ? 1_555 ZN ? R ZN . ? A ZN 698 ? 1_555 O ? U HOH . ? A HOH 927 ? 1_555 98.3 ? 17 OE2 ? A GLU 318 ? A GLU 659 ? 1_555 ZN ? R ZN . ? A ZN 698 ? 1_555 OE1 ? A GLU 318 ? A GLU 659 ? 1_555 60.5 ? 18 O ? U HOH . ? A HOH 927 ? 1_555 ZN ? R ZN . ? A ZN 698 ? 1_555 OE1 ? A GLU 318 ? A GLU 659 ? 1_555 81.0 ? 19 NE2 ? A HIS 247 ? A HIS 588 ? 1_555 ZN ? S ZN . ? A ZN 699 ? 1_555 O ? U HOH . ? A HOH 924 ? 1_555 116.2 ? 20 NE2 ? A HIS 247 ? A HIS 588 ? 1_555 ZN ? S ZN . ? A ZN 699 ? 1_555 O ? U HOH . ? A HOH 925 ? 1_555 119.1 ? 21 O ? U HOH . ? A HOH 924 ? 1_555 ZN ? S ZN . ? A ZN 699 ? 1_555 O ? U HOH . ? A HOH 925 ? 1_555 66.8 ? 22 NE2 ? A HIS 247 ? A HIS 588 ? 1_555 ZN ? S ZN . ? A ZN 699 ? 1_555 O ? U HOH . ? A HOH 926 ? 1_555 97.8 ? 23 O ? U HOH . ? A HOH 924 ? 1_555 ZN ? S ZN . ? A ZN 699 ? 1_555 O ? U HOH . ? A HOH 926 ? 1_555 74.4 ? 24 O ? U HOH . ? A HOH 925 ? 1_555 ZN ? S ZN . ? A ZN 699 ? 1_555 O ? U HOH . ? A HOH 926 ? 1_555 134.9 ? # 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 2006-06-27 2 'Structure model' 1 1 2008-05-01 3 'Structure model' 1 2 2011-07-13 # _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' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal REFMAC refinement 5.2.0019 ? 1 HKL-2000 'data reduction' . ? 2 SCALEPACK 'data scaling' . ? 3 AMoRE phasing . ? 4 # _pdbx_validate_rmsd_angle.id 1 _pdbx_validate_rmsd_angle.PDB_model_num 1 _pdbx_validate_rmsd_angle.auth_atom_id_1 CB _pdbx_validate_rmsd_angle.auth_asym_id_1 A _pdbx_validate_rmsd_angle.auth_comp_id_1 GLU _pdbx_validate_rmsd_angle.auth_seq_id_1 444 _pdbx_validate_rmsd_angle.PDB_ins_code_1 ? _pdbx_validate_rmsd_angle.label_alt_id_1 ? _pdbx_validate_rmsd_angle.auth_atom_id_2 CG _pdbx_validate_rmsd_angle.auth_asym_id_2 A _pdbx_validate_rmsd_angle.auth_comp_id_2 GLU _pdbx_validate_rmsd_angle.auth_seq_id_2 444 _pdbx_validate_rmsd_angle.PDB_ins_code_2 ? _pdbx_validate_rmsd_angle.label_alt_id_2 ? _pdbx_validate_rmsd_angle.auth_atom_id_3 CD _pdbx_validate_rmsd_angle.auth_asym_id_3 A _pdbx_validate_rmsd_angle.auth_comp_id_3 GLU _pdbx_validate_rmsd_angle.auth_seq_id_3 444 _pdbx_validate_rmsd_angle.PDB_ins_code_3 ? _pdbx_validate_rmsd_angle.label_alt_id_3 ? _pdbx_validate_rmsd_angle.angle_value 135.99 _pdbx_validate_rmsd_angle.angle_target_value 114.20 _pdbx_validate_rmsd_angle.angle_deviation 21.79 _pdbx_validate_rmsd_angle.angle_standard_deviation 2.70 _pdbx_validate_rmsd_angle.linker_flag 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 HIS A 420 ? ? 68.58 64.33 2 1 ALA A 460 ? ? 178.20 156.58 3 1 TRP A 467 ? ? -132.63 -59.91 4 1 ALA A 482 ? ? -78.02 27.38 5 1 VAL A 543 ? ? -124.74 -153.45 6 1 THR A 557 ? ? 64.71 -13.04 7 1 ASP A 559 ? ? -25.24 -57.42 8 1 GLU A 583 ? ? -85.82 43.64 9 1 CYS A 587 ? ? -156.42 63.50 10 1 CYS A 625 ? ? -62.31 -78.99 11 1 SER A 634 ? ? -146.78 14.77 12 1 GLU A 635 ? ? 63.18 75.36 13 1 LEU A 640 ? ? 60.73 -37.37 14 1 ARG A 654 ? ? 14.75 62.72 15 1 ALA A 683 ? ? -127.92 -99.46 16 1 CYS A 684 ? ? 89.82 86.49 17 1 ALA A 685 ? ? -70.66 25.74 # 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 BETA-D-MANNOSE BMA 5 ALPHA-D-GLUCOSE GLC 6 'FE (III) ION' FE 7 'CARBONATE ION' CO3 8 'ZINC ION' ZN 9 'SULFATE ION' SO4 10 water HOH #