data_3TUS # _entry.id 3TUS # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.281 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 3TUS RCSB RCSB067945 WWPDB D_1000067945 # _pdbx_database_related.db_name PDB _pdbx_database_related.db_id 3IB0 _pdbx_database_related.details model _pdbx_database_related.content_type unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 3TUS _pdbx_database_status.recvd_initial_deposition_date 2011-09-18 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site PDBJ _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Shukla, P.K.' 1 'Gautam, L.' 2 'Singh, A.' 3 'Kaushik, S.' 4 'Sinha, M.' 5 'Bhushan, A.' 6 'Kaur, P.' 7 'Sharma, S.' 8 'Singh, T.P.' 9 # _citation.id primary _citation.title 'Crystal Structure of C-lobe of Bovine lactoferrin Complexed with Meta-hydroxy benzoic acid at 2.5 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 'Shukla, P.K.' 1 primary 'Gautam, L.' 2 primary 'Singh, A.' 3 primary 'Kaushik, S.' 4 primary 'Sinha, M.' 5 primary 'Bhushan, A.' 6 primary 'Kaur, P.' 7 primary 'Sharma, S.' 8 primary 'Singh, T.P.' 9 # _cell.entry_id 3TUS _cell.length_a 62.431 _cell.length_b 50.492 _cell.length_c 65.404 _cell.angle_alpha 90.00 _cell.angle_beta 107.32 _cell.angle_gamma 90.00 _cell.Z_PDB 2 _cell.pdbx_unique_axis ? # _symmetry.entry_id 3TUS _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 # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer nat Lactotransferrin 37655.504 1 3.4.21.- ? 'C-lobe (UNP RESIDUES 361-705)' ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 5 ? ? ? ? 3 non-polymer syn 'FE (III) ION' 55.845 1 ? ? ? ? 4 non-polymer syn 'ZINC ION' 65.409 2 ? ? ? ? 5 non-polymer syn 'CARBONATE ION' 60.009 1 ? ? ? ? 6 non-polymer syn 'SULFATE ION' 96.063 1 ? ? ? ? 7 non-polymer syn '3-HYDROXYBENZOIC ACID' 138.121 1 ? ? ? ? 8 water nat water 18.015 223 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name 'Lactoferrin, Lactoferricin-B, Lfcin-B' # _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 bovine _entity_src_nat.pdbx_organism_scientific 'Bos taurus' _entity_src_nat.pdbx_ncbi_taxonomy_id 9913 _entity_src_nat.genus ? _entity_src_nat.species ? _entity_src_nat.strain ? _entity_src_nat.tissue ? _entity_src_nat.tissue_fraction ? _entity_src_nat.pdbx_secretion ? _entity_src_nat.pdbx_fragment ? _entity_src_nat.pdbx_variant ? _entity_src_nat.pdbx_cell_line ? _entity_src_nat.pdbx_atcc ? _entity_src_nat.pdbx_cellular_location ? _entity_src_nat.pdbx_organ ? _entity_src_nat.pdbx_organelle ? _entity_src_nat.pdbx_cell ? _entity_src_nat.pdbx_plasmid_name ? _entity_src_nat.pdbx_plasmid_details ? _entity_src_nat.details ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code TRFL_BOVIN _struct_ref.pdbx_db_accession P24627 _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;YTRVVWCAVGPEEQKKCQQWSQQSGQNVTCATASTTDDCIVLVLKGEADALNLDGGYIYTAGKCGLVPVLAENRKSSKHS SLDCVLRPTEGYLAVAVVKKANEGLTWNSLKDKKSCHTAVDRTAGWNIPMGLIVNQTGSCAFDEFFSQSCAPGADPKSRL CALCAGDDQGLDKCVPNSKEKYYGYTGAFRCLAEDVGDVAFVKNDTVWENTNGESTADWAKNLNREDFRLLCLDGTRKPV TEAQSCHLAVAPNHAVVSRSDRAAHVKQVLLHQQALFGKNGKNCPDKFCLFKSETKNLLFNDNTECLAKLGGRPTYEEYL GTEYVTAIANLKKCSTSPLLEACAF ; _struct_ref.pdbx_align_begin 361 _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 3TUS _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 3TUS LYS A 224 ? UNP P24627 ASN 584 'SEE REMARK 999' 565 1 1 3TUS GLU A 267 ? UNP P24627 LYS 627 'SEE REMARK 999' 608 2 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight 3HB non-polymer . '3-HYDROXYBENZOIC ACID' ? 'C7 H6 O3' 138.121 ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CO3 non-polymer . 'CARBONATE ION' ? 'C O3 -2' 60.009 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 FE non-polymer . 'FE (III) ION' ? 'Fe 3' 55.845 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 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 3TUS _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.61 _exptl_crystal.density_percent_sol 52.94 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.temp 298 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 6.5 _exptl_crystal_grow.pdbx_details '0.01M Znso4, 0.1M MES, 25% PEG, Monomethyl Ether 550 , pH 6.5, VAPOR DIFFUSION, HANGING DROP, 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 2011-09-04 _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 1.541 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source 'ROTATING ANODE' _diffrn_source.type 'RIGAKU RU300' _diffrn_source.pdbx_synchrotron_site ? _diffrn_source.pdbx_synchrotron_beamline ? _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 1.541 # _reflns.entry_id 3TUS _reflns.observed_criterion_sigma_I 0.0 _reflns.observed_criterion_sigma_F 0.0 _reflns.d_resolution_low 39.26 _reflns.d_resolution_high 2.50 _reflns.number_obs 12573 _reflns.number_all 12573 _reflns.percent_possible_obs 92.2 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value 0.058 _reflns.pdbx_netI_over_sigmaI 8.4 _reflns.B_iso_Wilson_estimate 40.1 _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 2.50 _reflns_shell.d_res_low 2.59 _reflns_shell.percent_possible_all 95.1 _reflns_shell.Rmerge_I_obs ? _reflns_shell.pdbx_Rsym_value 0.198 _reflns_shell.meanI_over_sigI_obs 2.0 _reflns_shell.pdbx_redundancy ? _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all ? _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_unique_obs ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_rejects ? _reflns_shell.pdbx_netI_over_sigmaI_obs ? _reflns_shell.number_possible ? _reflns_shell.Rmerge_F_all ? _reflns_shell.Rmerge_F_obs ? _reflns_shell.Rmerge_I_all ? _reflns_shell.meanI_over_sigI_all ? _reflns_shell.pdbx_Rrim_I_all ? _reflns_shell.pdbx_Rpim_I_all ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 # _refine.entry_id 3TUS _refine.ls_number_reflns_obs 12573 _refine.ls_number_reflns_all 12573 _refine.pdbx_ls_sigma_I 0.0 _refine.pdbx_ls_sigma_F 0.0 _refine.pdbx_data_cutoff_high_absF 914181.70 _refine.pdbx_data_cutoff_low_absF 0.000000 _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 39.26 _refine.ls_d_res_high 2.50 _refine.ls_percent_reflns_obs 91.9 _refine.ls_R_factor_obs 0.218 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.218 _refine.ls_R_factor_R_free 0.241 _refine.ls_R_factor_R_free_error 0.009 _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.1 _refine.ls_number_reflns_R_free 645 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.B_iso_mean 34.7 _refine.aniso_B[1][1] 2.80 _refine.aniso_B[2][2] -4.74 _refine.aniso_B[3][3] 1.94 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] -8.94 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details 'FLAT MODEL' _refine.solvent_model_param_ksol 0.34369 _refine.solvent_model_param_bsol 59.9956 _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details ? _refine.pdbx_starting_model 3IB0 _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model RESTRAINED _refine.pdbx_stereochemistry_target_values 'Engh & Huber' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML ? _refine.pdbx_overall_phase_error ? _refine.overall_SU_B ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_diffrn_id 1 _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_overall_ESU_R ? _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_analyze.entry_id 3TUS _refine_analyze.Luzzati_coordinate_error_obs 0.28 _refine_analyze.Luzzati_sigma_a_obs 0.18 _refine_analyze.Luzzati_d_res_low_obs 5.00 _refine_analyze.Luzzati_coordinate_error_free 0.30 _refine_analyze.Luzzati_sigma_a_free 0.04 _refine_analyze.Luzzati_d_res_low_free ? _refine_analyze.number_disordered_residues ? _refine_analyze.occupancy_sum_hydrogen ? _refine_analyze.occupancy_sum_non_hydrogen ? _refine_analyze.pdbx_Luzzati_d_res_high_obs ? _refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION' # _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 92 _refine_hist.number_atoms_solvent 223 _refine_hist.number_atoms_total 2919 _refine_hist.d_res_high 2.50 _refine_hist.d_res_low 39.26 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_restraint_function _refine_ls_restr.pdbx_refine_id c_bond_d 0.013 ? ? ? ? 'X-RAY DIFFRACTION' c_angle_deg 2.0 ? ? ? ? 'X-RAY DIFFRACTION' c_dihedral_angle_d 25.0 ? ? ? ? 'X-RAY DIFFRACTION' c_improper_angle_d 1.45 ? ? ? ? 'X-RAY DIFFRACTION' c_mcbond_it 1.01 1.50 ? ? ? 'X-RAY DIFFRACTION' c_mcangle_it 1.74 2.00 ? ? ? 'X-RAY DIFFRACTION' c_scbond_it 4.25 2.00 ? ? ? 'X-RAY DIFFRACTION' c_scangle_it 5.13 2.50 ? ? ? 'X-RAY DIFFRACTION' # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.pdbx_total_number_of_bins_used 6 _refine_ls_shell.d_res_high 2.50 _refine_ls_shell.d_res_low 2.59 _refine_ls_shell.number_reflns_R_work 2021 _refine_ls_shell.R_factor_R_work 0.234 _refine_ls_shell.percent_reflns_obs 95.2 _refine_ls_shell.R_factor_R_free 0.243 _refine_ls_shell.R_factor_R_free_error 0.023 _refine_ls_shell.percent_reflns_R_free 5.3 _refine_ls_shell.number_reflns_R_free 112 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.redundancy_reflns_obs ? # loop_ _pdbx_xplor_file.pdbx_refine_id _pdbx_xplor_file.serial_no _pdbx_xplor_file.param_file _pdbx_xplor_file.topol_file 'X-RAY DIFFRACTION' 1 protein_rep.param protein.top 'X-RAY DIFFRACTION' 2 ion.param ion.top 'X-RAY DIFFRACTION' 3 water_rep.param water.top 'X-RAY DIFFRACTION' 4 carbohydrate.param carbohydrate.top 'X-RAY DIFFRACTION' 5 3hb.param 3hb.top # _struct.entry_id 3TUS _struct.title 'Crystal Structure of C-lobe of Bovine lactoferrin Complexed with Meta-hydroxy benzoic acid at 2.5 A Resolution' _struct.pdbx_descriptor 'Lactotransferrin (E.C.3.4.21.-)' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 3TUS _struct_keywords.pdbx_keywords HYDROLASE _struct_keywords.text 'COMPLEX, C-LOBE, meta hydroxy benzoic acid, iron binding protein, HYDROLASE' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 2 ? D N N 2 ? E N N 2 ? F N N 2 ? G N N 3 ? H N N 4 ? I N N 4 ? J N N 5 ? K N N 6 ? L N N 7 ? M N N 8 ? # _struct_biol.id 1 _struct_biol.details ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 GLY A 10 ? SER A 24 ? GLY A 351 SER A 365 1 ? 15 HELX_P HELX_P2 2 THR A 35 ? GLY A 46 ? THR A 376 GLY A 387 1 ? 12 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 SER A 158 ? ALA A 162 ? SER A 499 ALA A 503 5 ? 5 HELX_P HELX_P7 7 TYR A 183 ? GLU A 194 ? TYR A 524 GLU A 535 1 ? 12 HELX_P HELX_P8 8 ASN A 204 ? ASN A 210 ? ASN A 545 ASN A 551 1 ? 7 HELX_P HELX_P9 9 LYS A 224 ? GLU A 226 ? LYS A 565 GLU A 567 5 ? 3 HELX_P HELX_P10 10 GLU A 242 ? CYS A 246 ? GLU A 583 CYS A 587 5 ? 5 HELX_P HELX_P11 11 ARG A 262 ? GLY A 278 ? ARG A 603 GLY A 619 1 ? 17 HELX_P HELX_P12 12 THR A 315 ? GLY A 321 ? THR A 656 GLY A 662 1 ? 7 HELX_P HELX_P13 13 GLY A 321 ? LYS A 332 ? GLY A 662 LYS A 673 1 ? 12 HELX_P HELX_P14 14 LYS A 333 ? SER A 335 ? LYS A 674 SER A 676 5 ? 3 # _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 ? ? ? ? ? ? ? 2.031 ? disulf2 disulf ? ? A CYS 17 SG ? ? ? 1_555 A CYS 30 SG ? ? A CYS 358 A CYS 371 1_555 ? ? ? ? ? ? ? 2.028 ? disulf3 disulf ? ? A CYS 64 SG ? ? ? 1_555 A CYS 343 SG ? ? A CYS 405 A CYS 684 1_555 ? ? ? ? ? ? ? 2.033 ? disulf4 disulf ? ? A CYS 84 SG ? ? ? 1_555 A CYS 306 SG ? ? A CYS 425 A CYS 647 1_555 ? ? ? ? ? ? ? 2.029 ? disulf5 disulf ? ? A CYS 116 SG ? ? ? 1_555 A CYS 191 SG ? ? A CYS 457 A CYS 532 1_555 ? ? ? ? ? ? ? 2.029 ? disulf6 disulf ? ? A CYS 140 SG ? ? ? 1_555 A CYS 334 SG ? ? A CYS 481 A CYS 675 1_555 ? ? ? ? ? ? ? 2.028 ? disulf7 disulf ? ? A CYS 150 SG ? ? ? 1_555 A CYS 164 SG ? ? A CYS 491 A CYS 505 1_555 ? ? ? ? ? ? ? 2.037 ? disulf8 disulf ? ? A CYS 161 SG ? ? ? 1_555 A CYS 174 SG ? ? A CYS 502 A CYS 515 1_555 ? ? ? ? ? ? ? 2.027 ? disulf9 disulf ? ? A CYS 232 SG ? ? ? 1_555 A CYS 246 SG ? ? A CYS 573 A CYS 587 1_555 ? ? ? ? ? ? ? 2.041 ? 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 B NAG . C1 ? ? A ASN 368 A NAG 687 1_555 ? ? ? ? ? ? ? 1.381 ? covale2 covale ? ? C NAG . O4 ? ? ? 1_555 D NAG . C1 ? ? A NAG 689 A NAG 690 1_555 ? ? ? ? ? ? ? 1.413 ? covale3 covale ? ? E NAG . O4 ? ? ? 1_555 F NAG . C1 ? ? A NAG 692 A NAG 693 1_555 ? ? ? ? ? ? ? 1.450 ? covale4 covale ? ? A ASN 135 ND2 ? ? ? 1_555 C NAG . C1 ? ? A ASN 476 A NAG 689 1_555 ? ? ? ? ? ? ? 1.457 ? covale5 covale ? ? A ASN 204 ND2 ? ? ? 1_555 E NAG . C1 ? ? A ASN 545 A NAG 692 1_555 ? ? ? ? ? ? ? 1.458 ? metalc1 metalc ? ? A TYR 185 OH ? ? ? 1_555 G FE . FE ? ? A TYR 526 A FE 694 1_555 ? ? ? ? ? ? ? 1.867 ? metalc2 metalc ? ? A GLU 318 OE2 ? ? ? 1_555 H ZN . ZN ? ? A GLU 659 A ZN 695 1_555 ? ? ? ? ? ? ? 1.941 ? metalc3 metalc ? ? A ASP 54 OD1 ? ? ? 1_555 G FE . FE ? ? A ASP 395 A FE 694 1_555 ? ? ? ? ? ? ? 1.961 ? metalc4 metalc ? ? A TYR 92 OH ? ? ? 1_555 G FE . FE ? ? A TYR 433 A FE 694 1_555 ? ? ? ? ? ? ? 2.038 ? metalc5 metalc ? ? H ZN . ZN ? ? ? 1_555 M HOH . O ? ? A ZN 695 A HOH 216 1_555 ? ? ? ? ? ? ? 2.042 ? metalc6 metalc ? ? G FE . FE ? ? ? 1_555 J CO3 . O2 ? ? A FE 694 A CO3 697 1_555 ? ? ? ? ? ? ? 2.046 ? metalc7 metalc ? ? A HIS 254 NE2 ? ? ? 1_555 G FE . FE ? ? A HIS 595 A FE 694 1_555 ? ? ? ? ? ? ? 2.092 ? metalc8 metalc ? ? A HIS 247 NE2 ? ? ? 1_555 I ZN . ZN ? ? A HIS 588 A ZN 696 1_555 ? ? ? ? ? ? ? 2.213 ? metalc9 metalc ? ? G FE . FE ? ? ? 1_555 J CO3 . O1 ? ? A FE 694 A CO3 697 1_555 ? ? ? ? ? ? ? 2.339 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? metalc ? ? # _struct_mon_prot_cis.pdbx_id 1 _struct_mon_prot_cis.label_comp_id CYS _struct_mon_prot_cis.label_seq_id 284 _struct_mon_prot_cis.label_asym_id A _struct_mon_prot_cis.label_alt_id . _struct_mon_prot_cis.pdbx_PDB_ins_code ? _struct_mon_prot_cis.auth_comp_id CYS _struct_mon_prot_cis.auth_seq_id 625 _struct_mon_prot_cis.auth_asym_id A _struct_mon_prot_cis.pdbx_label_comp_id_2 PRO _struct_mon_prot_cis.pdbx_label_seq_id_2 285 _struct_mon_prot_cis.pdbx_label_asym_id_2 A _struct_mon_prot_cis.pdbx_PDB_ins_code_2 ? _struct_mon_prot_cis.pdbx_auth_comp_id_2 PRO _struct_mon_prot_cis.pdbx_auth_seq_id_2 626 _struct_mon_prot_cis.pdbx_auth_asym_id_2 A _struct_mon_prot_cis.pdbx_PDB_model_num 1 _struct_mon_prot_cis.pdbx_omega_angle -11.36 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 2 ? B ? 4 ? C ? 6 ? D ? 5 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? parallel B 1 2 ? anti-parallel B 2 3 ? anti-parallel B 3 4 ? anti-parallel C 1 2 ? parallel C 2 3 ? parallel C 3 4 ? anti-parallel C 4 5 ? anti-parallel C 5 6 ? anti-parallel D 1 2 ? parallel D 2 3 ? parallel D 3 4 ? anti-parallel D 4 5 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 VAL A 4 ? VAL A 9 ? VAL A 345 VAL A 350 A 2 VAL A 28 ? ALA A 33 ? VAL A 369 ALA A 374 B 1 ALA A 50 ? LEU A 53 ? ALA A 391 LEU A 394 B 2 ALA A 255 ? ARG A 259 ? ALA A 596 ARG A 600 B 3 LEU A 66 ? ARG A 74 ? LEU A 407 ARG A 415 B 4 THR A 304 ? ALA A 308 ? THR A 645 ALA A 649 C 1 GLN A 148 ? CYS A 150 ? GLN A 489 CYS A 491 C 2 LYS A 114 ? HIS A 117 ? LYS A 455 HIS A 458 C 3 VAL A 199 ? LYS A 203 ? VAL A 540 LYS A 544 C 4 TYR A 92 ? LYS A 99 ? TYR A 433 LYS A 440 C 5 PHE A 228 ? LEU A 231 ? PHE A 569 LEU A 572 C 6 ARG A 237 ? LYS A 238 ? ARG A 578 LYS A 579 D 1 GLN A 148 ? CYS A 150 ? GLN A 489 CYS A 491 D 2 LYS A 114 ? HIS A 117 ? LYS A 455 HIS A 458 D 3 VAL A 199 ? LYS A 203 ? VAL A 540 LYS A 544 D 4 TYR A 92 ? LYS A 99 ? TYR A 433 LYS A 440 D 5 ALA A 249 ? ALA A 251 ? ALA A 590 ALA A 592 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 N ALA A 8 ? N ALA A 349 O ALA A 31 ? O ALA A 372 B 1 2 N LEU A 53 ? N LEU A 394 O ALA A 255 ? O ALA A 596 B 2 3 O VAL A 256 ? O VAL A 597 N VAL A 69 ? N VAL A 410 B 3 4 N ASN A 73 ? N ASN A 414 O GLU A 305 ? O GLU A 646 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 ? ? ? ? 7 'BINDING SITE FOR RESIDUE NAG A 687' AC2 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 689' AC3 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 690' AC4 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG A 692' AC5 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG A 693' AC6 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE FE A 694' AC7 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE ZN A 695' AC8 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE ZN A 696' AC9 Software ? ? ? ? 10 'BINDING SITE FOR RESIDUE CO3 A 697' BC1 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE SO4 A 698' BC2 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE 3HB A 688' # 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 7 HOH M . ? HOH A 221 . ? 1_555 ? 2 AC1 7 TYR A 1 ? TYR A 342 . ? 1_555 ? 3 AC1 7 SER A 24 ? SER A 365 . ? 1_555 ? 4 AC1 7 ASN A 27 ? ASN A 368 . ? 1_555 ? 5 AC1 7 HIS A 272 ? HIS A 613 . ? 1_555 ? 6 AC1 7 GLN A 273 ? GLN A 614 . ? 1_555 ? 7 AC1 7 LEU A 276 ? LEU A 617 . ? 1_555 ? 8 AC2 4 HOH M . ? HOH A 210 . ? 1_555 ? 9 AC2 4 ASN A 135 ? ASN A 476 . ? 1_555 ? 10 AC2 4 ASN A 330 ? ASN A 671 . ? 1_555 ? 11 AC2 4 NAG D . ? NAG A 690 . ? 1_555 ? 12 AC3 4 HOH M . ? HOH A 131 . ? 1_555 ? 13 AC3 4 THR A 326 ? THR A 667 . ? 1_555 ? 14 AC3 4 ASN A 330 ? ASN A 671 . ? 1_555 ? 15 AC3 4 NAG C . ? NAG A 689 . ? 1_555 ? 16 AC4 6 HOH M . ? HOH A 200 . ? 1_555 ? 17 AC4 6 LEU A 93 ? LEU A 434 . ? 1_555 ? 18 AC4 6 ASN A 204 ? ASN A 545 . ? 1_555 ? 19 AC4 6 ASP A 205 ? ASP A 546 . ? 1_555 ? 20 AC4 6 ALA A 243 ? ALA A 584 . ? 1_555 ? 21 AC4 6 NAG F . ? NAG A 693 . ? 1_555 ? 22 AC5 3 SER A 77 ? SER A 418 . ? 1_555 ? 23 AC5 3 TRP A 208 ? TRP A 549 . ? 1_555 ? 24 AC5 3 NAG E . ? NAG A 692 . ? 1_555 ? 25 AC6 5 ASP A 54 ? ASP A 395 . ? 1_555 ? 26 AC6 5 TYR A 92 ? TYR A 433 . ? 1_555 ? 27 AC6 5 TYR A 185 ? TYR A 526 . ? 1_555 ? 28 AC6 5 HIS A 254 ? HIS A 595 . ? 1_555 ? 29 AC6 5 CO3 J . ? CO3 A 697 . ? 1_555 ? 30 AC7 2 HOH M . ? HOH A 216 . ? 1_555 ? 31 AC7 2 GLU A 318 ? GLU A 659 . ? 1_555 ? 32 AC8 1 HIS A 247 ? HIS A 588 . ? 1_555 ? 33 AC9 10 ASP A 54 ? ASP A 395 . ? 1_555 ? 34 AC9 10 TYR A 92 ? TYR A 433 . ? 1_555 ? 35 AC9 10 THR A 118 ? THR A 459 . ? 1_555 ? 36 AC9 10 ARG A 122 ? ARG A 463 . ? 1_555 ? 37 AC9 10 THR A 123 ? THR A 464 . ? 1_555 ? 38 AC9 10 ALA A 124 ? ALA A 465 . ? 1_555 ? 39 AC9 10 GLY A 125 ? GLY A 466 . ? 1_555 ? 40 AC9 10 TYR A 185 ? TYR A 526 . ? 1_555 ? 41 AC9 10 HIS A 254 ? HIS A 595 . ? 1_555 ? 42 AC9 10 FE G . ? FE A 694 . ? 1_555 ? 43 BC1 3 HOH M . ? HOH A 67 . ? 1_555 ? 44 BC1 3 ARG A 229 ? ARG A 570 . ? 1_555 ? 45 BC1 3 ARG A 237 ? ARG A 578 . ? 1_555 ? 46 BC2 5 THR A 89 ? THR A 430 . ? 1_555 ? 47 BC2 5 GLU A 90 ? GLU A 431 . ? 1_555 ? 48 BC2 5 GLY A 91 ? GLY A 432 . ? 1_555 ? 49 BC2 5 ASN A 253 ? ASN A 594 . ? 1_555 ? 50 BC2 5 TYR A 319 ? TYR A 660 . ? 1_555 ? # _database_PDB_matrix.entry_id 3TUS _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 3TUS _atom_sites.fract_transf_matrix[1][1] 0.016018 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.004995 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.019805 _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] 0.016016 _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 ? 38.288 16.153 27.381 1.00 57.57 ? 342 TYR A N 1 ATOM 2 C CA . TYR A 1 1 ? 38.712 14.842 26.818 1.00 57.29 ? 342 TYR A CA 1 ATOM 3 C C . TYR A 1 1 ? 39.185 13.818 27.828 1.00 56.31 ? 342 TYR A C 1 ATOM 4 O O . TYR A 1 1 ? 39.702 14.155 28.903 1.00 56.21 ? 342 TYR A O 1 ATOM 5 C CB . TYR A 1 1 ? 39.911 15.033 25.853 1.00 58.45 ? 342 TYR A CB 1 ATOM 6 C CG . TYR A 1 1 ? 40.813 13.794 25.637 1.00 59.45 ? 342 TYR A CG 1 ATOM 7 C CD1 . TYR A 1 1 ? 40.463 12.803 24.720 1.00 59.92 ? 342 TYR A CD1 1 ATOM 8 C CD2 . TYR A 1 1 ? 41.986 13.603 26.381 1.00 59.98 ? 342 TYR A CD2 1 ATOM 9 C CE1 . TYR A 1 1 ? 41.250 11.655 24.548 1.00 60.20 ? 342 TYR A CE1 1 ATOM 10 C CE2 . TYR A 1 1 ? 42.777 12.456 26.219 1.00 59.90 ? 342 TYR A CE2 1 ATOM 11 C CZ . TYR A 1 1 ? 42.401 11.489 25.301 1.00 59.84 ? 342 TYR A CZ 1 ATOM 12 O OH . TYR A 1 1 ? 43.168 10.359 25.138 1.00 60.72 ? 342 TYR A OH 1 ATOM 13 N N . THR A 1 2 ? 38.908 12.568 27.481 1.00 54.54 ? 343 THR A N 1 ATOM 14 C CA . THR A 1 2 ? 39.411 11.369 28.164 1.00 52.95 ? 343 THR A CA 1 ATOM 15 C C . THR A 1 2 ? 38.871 10.250 27.280 1.00 51.52 ? 343 THR A C 1 ATOM 16 O O . THR A 1 2 ? 38.263 10.508 26.224 1.00 51.63 ? 343 THR A O 1 ATOM 17 C CB . THR A 1 2 ? 38.929 11.024 29.633 1.00 53.39 ? 343 THR A CB 1 ATOM 18 O OG1 . THR A 1 2 ? 37.558 11.351 29.820 1.00 52.91 ? 343 THR A OG1 1 ATOM 19 C CG2 . THR A 1 2 ? 39.818 11.730 30.662 1.00 52.69 ? 343 THR A CG2 1 ATOM 20 N N . ARG A 1 3 ? 39.176 9.011 27.636 1.00 49.23 ? 344 ARG A N 1 ATOM 21 C CA . ARG A 1 3 ? 38.677 7.873 26.877 1.00 46.47 ? 344 ARG A CA 1 ATOM 22 C C . ARG A 1 3 ? 37.136 7.758 27.030 1.00 43.61 ? 344 ARG A C 1 ATOM 23 O O . ARG A 1 3 ? 36.554 8.094 28.077 1.00 42.86 ? 344 ARG A O 1 ATOM 24 C CB . ARG A 1 3 ? 39.280 6.581 27.415 1.00 48.81 ? 344 ARG A CB 1 ATOM 25 C CG . ARG A 1 3 ? 40.779 6.594 27.485 1.00 51.51 ? 344 ARG A CG 1 ATOM 26 C CD . ARG A 1 3 ? 41.325 5.200 27.715 1.00 53.66 ? 344 ARG A CD 1 ATOM 27 N NE . ARG A 1 3 ? 42.718 5.086 27.297 1.00 56.20 ? 344 ARG A NE 1 ATOM 28 C CZ . ARG A 1 3 ? 43.412 3.952 27.305 1.00 57.63 ? 344 ARG A CZ 1 ATOM 29 N NH1 . ARG A 1 3 ? 42.845 2.826 27.712 1.00 57.25 ? 344 ARG A NH1 1 ATOM 30 N NH2 . ARG A 1 3 ? 44.677 3.947 26.906 1.00 58.39 ? 344 ARG A NH2 1 ATOM 31 N N . VAL A 1 4 ? 36.473 7.305 25.974 1.00 39.98 ? 345 VAL A N 1 ATOM 32 C CA . VAL A 1 4 ? 35.028 7.099 26.002 1.00 36.62 ? 345 VAL A CA 1 ATOM 33 C C . VAL A 1 4 ? 34.762 5.582 25.963 1.00 34.19 ? 345 VAL A C 1 ATOM 34 O O . VAL A 1 4 ? 35.277 4.857 25.094 1.00 33.11 ? 345 VAL A O 1 ATOM 35 C CB . VAL A 1 4 ? 34.289 7.768 24.772 1.00 37.08 ? 345 VAL A CB 1 ATOM 36 C CG1 . VAL A 1 4 ? 32.854 7.196 24.628 1.00 37.06 ? 345 VAL A CG1 1 ATOM 37 C CG2 . VAL A 1 4 ? 34.217 9.284 24.977 1.00 37.10 ? 345 VAL A CG2 1 ATOM 38 N N . VAL A 1 5 ? 34.012 5.098 26.949 1.00 31.03 ? 346 VAL A N 1 ATOM 39 C CA . VAL A 1 5 ? 33.651 3.687 27.002 1.00 28.52 ? 346 VAL A CA 1 ATOM 40 C C . VAL A 1 5 ? 32.314 3.615 26.236 1.00 26.86 ? 346 VAL A C 1 ATOM 41 O O . VAL A 1 5 ? 31.383 4.408 26.470 1.00 25.31 ? 346 VAL A O 1 ATOM 42 C CB . VAL A 1 5 ? 33.363 3.172 28.443 1.00 28.36 ? 346 VAL A CB 1 ATOM 43 C CG1 . VAL A 1 5 ? 33.287 1.648 28.428 1.00 24.60 ? 346 VAL A CG1 1 ATOM 44 C CG2 . VAL A 1 5 ? 34.424 3.670 29.410 1.00 28.67 ? 346 VAL A CG2 1 ATOM 45 N N . TRP A 1 6 ? 32.235 2.681 25.300 1.00 24.43 ? 347 TRP A N 1 ATOM 46 C CA . TRP A 1 6 ? 31.024 2.479 24.523 1.00 23.39 ? 347 TRP A CA 1 ATOM 47 C C . TRP A 1 6 ? 30.372 1.207 25.048 1.00 22.10 ? 347 TRP A C 1 ATOM 48 O O . TRP A 1 6 ? 31.068 0.282 25.465 1.00 21.09 ? 347 TRP A O 1 ATOM 49 C CB . TRP A 1 6 ? 31.337 2.248 23.053 1.00 25.83 ? 347 TRP A CB 1 ATOM 50 C CG . TRP A 1 6 ? 30.155 2.548 22.208 1.00 27.96 ? 347 TRP A CG 1 ATOM 51 C CD1 . TRP A 1 6 ? 29.249 1.662 21.689 1.00 27.04 ? 347 TRP A CD1 1 ATOM 52 C CD2 . TRP A 1 6 ? 29.725 3.850 21.803 1.00 28.11 ? 347 TRP A CD2 1 ATOM 53 N NE1 . TRP A 1 6 ? 28.272 2.345 21.004 1.00 28.41 ? 347 TRP A NE1 1 ATOM 54 C CE2 . TRP A 1 6 ? 28.527 3.691 21.079 1.00 28.22 ? 347 TRP A CE2 1 ATOM 55 C CE3 . TRP A 1 6 ? 30.206 5.148 22.037 1.00 29.60 ? 347 TRP A CE3 1 ATOM 56 C CZ2 . TRP A 1 6 ? 27.835 4.775 20.521 1.00 28.69 ? 347 TRP A CZ2 1 ATOM 57 C CZ3 . TRP A 1 6 ? 29.516 6.230 21.489 1.00 29.04 ? 347 TRP A CZ3 1 ATOM 58 C CH2 . TRP A 1 6 ? 28.326 6.035 20.761 1.00 29.39 ? 347 TRP A CH2 1 ATOM 59 N N . CYS A 1 7 ? 29.042 1.165 25.052 1.00 20.83 ? 348 CYS A N 1 ATOM 60 C CA . CYS A 1 7 ? 28.337 -0.030 25.496 1.00 19.54 ? 348 CYS A CA 1 ATOM 61 C C . CYS A 1 7 ? 27.821 -0.847 24.288 1.00 19.87 ? 348 CYS A C 1 ATOM 62 O O . CYS A 1 7 ? 26.936 -0.401 23.558 1.00 19.65 ? 348 CYS A O 1 ATOM 63 C CB . CYS A 1 7 ? 27.142 0.312 26.376 1.00 17.29 ? 348 CYS A CB 1 ATOM 64 S SG . CYS A 1 7 ? 26.645 -1.091 27.453 1.00 16.94 ? 348 CYS A SG 1 ATOM 65 N N . ALA A 1 8 ? 28.380 -2.035 24.070 1.00 20.35 ? 349 ALA A N 1 ATOM 66 C CA . ALA A 1 8 ? 27.946 -2.900 22.963 1.00 20.51 ? 349 ALA A CA 1 ATOM 67 C C . ALA A 1 8 ? 26.897 -3.899 23.461 1.00 20.14 ? 349 ALA A C 1 ATOM 68 O O . ALA A 1 8 ? 27.022 -4.458 24.556 1.00 19.42 ? 349 ALA A O 1 ATOM 69 C CB . ALA A 1 8 ? 29.128 -3.654 22.378 1.00 20.01 ? 349 ALA A CB 1 ATOM 70 N N . VAL A 1 9 ? 25.866 -4.117 22.649 1.00 19.12 ? 350 VAL A N 1 ATOM 71 C CA . VAL A 1 9 ? 24.777 -5.033 22.986 1.00 19.08 ? 350 VAL A CA 1 ATOM 72 C C . VAL A 1 9 ? 24.896 -6.337 22.223 1.00 18.96 ? 350 VAL A C 1 ATOM 73 O O . VAL A 1 9 ? 24.564 -6.414 21.047 1.00 19.41 ? 350 VAL A O 1 ATOM 74 C CB . VAL A 1 9 ? 23.378 -4.411 22.659 1.00 19.49 ? 350 VAL A CB 1 ATOM 75 C CG1 . VAL A 1 9 ? 22.263 -5.430 22.940 1.00 17.91 ? 350 VAL A CG1 1 ATOM 76 C CG2 . VAL A 1 9 ? 23.155 -3.167 23.503 1.00 18.31 ? 350 VAL A CG2 1 ATOM 77 N N . GLY A 1 10 ? 25.381 -7.359 22.903 1.00 19.56 ? 351 GLY A N 1 ATOM 78 C CA . GLY A 1 10 ? 25.545 -8.639 22.279 1.00 19.17 ? 351 GLY A CA 1 ATOM 79 C C . GLY A 1 10 ? 26.994 -8.856 21.924 1.00 20.86 ? 351 GLY A C 1 ATOM 80 O O . GLY A 1 10 ? 27.764 -7.892 21.827 1.00 19.19 ? 351 GLY A O 1 ATOM 81 N N . PRO A 1 11 ? 27.385 -10.123 21.690 1.00 21.83 ? 352 PRO A N 1 ATOM 82 C CA . PRO A 1 11 ? 28.753 -10.507 21.324 1.00 22.79 ? 352 PRO A CA 1 ATOM 83 C C . PRO A 1 11 ? 29.241 -10.024 19.966 1.00 23.49 ? 352 PRO A C 1 ATOM 84 O O . PRO A 1 11 ? 30.447 -9.875 19.761 1.00 23.23 ? 352 PRO A O 1 ATOM 85 C CB . PRO A 1 11 ? 28.734 -12.024 21.443 1.00 22.63 ? 352 PRO A CB 1 ATOM 86 C CG . PRO A 1 11 ? 27.337 -12.397 21.102 1.00 22.36 ? 352 PRO A CG 1 ATOM 87 C CD . PRO A 1 11 ? 26.469 -11.273 21.642 1.00 22.50 ? 352 PRO A CD 1 ATOM 88 N N . GLU A 1 12 ? 28.298 -9.776 19.064 1.00 24.67 ? 353 GLU A N 1 ATOM 89 C CA . GLU A 1 12 ? 28.623 -9.300 17.738 1.00 27.24 ? 353 GLU A CA 1 ATOM 90 C C . GLU A 1 12 ? 29.052 -7.824 17.788 1.00 27.20 ? 353 GLU A C 1 ATOM 91 O O . GLU A 1 12 ? 30.055 -7.460 17.172 1.00 26.73 ? 353 GLU A O 1 ATOM 92 C CB . GLU A 1 12 ? 27.424 -9.503 16.801 1.00 29.73 ? 353 GLU A CB 1 ATOM 93 C CG . GLU A 1 12 ? 27.178 -10.967 16.437 1.00 32.38 ? 353 GLU A CG 1 ATOM 94 C CD . GLU A 1 12 ? 26.631 -11.113 15.027 1.00 35.44 ? 353 GLU A CD 1 ATOM 95 O OE1 . GLU A 1 12 ? 25.554 -10.547 14.745 1.00 35.22 ? 353 GLU A OE1 1 ATOM 96 O OE2 . GLU A 1 12 ? 27.282 -11.786 14.198 1.00 35.79 ? 353 GLU A OE2 1 ATOM 97 N N . GLU A 1 13 ? 28.291 -6.981 18.499 1.00 26.99 ? 354 GLU A N 1 ATOM 98 C CA . GLU A 1 13 ? 28.631 -5.553 18.638 1.00 27.59 ? 354 GLU A CA 1 ATOM 99 C C . GLU A 1 13 ? 29.887 -5.462 19.534 1.00 28.59 ? 354 GLU A C 1 ATOM 100 O O . GLU A 1 13 ? 30.676 -4.521 19.424 1.00 28.41 ? 354 GLU A O 1 ATOM 101 C CB . GLU A 1 13 ? 27.490 -4.760 19.298 1.00 27.25 ? 354 GLU A CB 1 ATOM 102 C CG . GLU A 1 13 ? 26.237 -4.599 18.447 1.00 26.08 ? 354 GLU A CG 1 ATOM 103 C CD . GLU A 1 13 ? 25.408 -3.406 18.886 1.00 26.62 ? 354 GLU A CD 1 ATOM 104 O OE1 . GLU A 1 13 ? 25.476 -3.056 20.079 1.00 28.56 ? 354 GLU A OE1 1 ATOM 105 O OE2 . GLU A 1 13 ? 24.688 -2.827 18.049 1.00 24.91 ? 354 GLU A OE2 1 ATOM 106 N N . GLN A 1 14 ? 30.055 -6.440 20.429 1.00 29.93 ? 355 GLN A N 1 ATOM 107 C CA . GLN A 1 14 ? 31.207 -6.507 21.329 1.00 31.29 ? 355 GLN A CA 1 ATOM 108 C C . GLN A 1 14 ? 32.429 -6.669 20.397 1.00 31.20 ? 355 GLN A C 1 ATOM 109 O O . GLN A 1 14 ? 33.416 -5.934 20.515 1.00 31.74 ? 355 GLN A O 1 ATOM 110 C CB . GLN A 1 14 ? 31.049 -7.720 22.262 1.00 32.74 ? 355 GLN A CB 1 ATOM 111 C CG . GLN A 1 14 ? 32.135 -7.886 23.309 1.00 36.05 ? 355 GLN A CG 1 ATOM 112 C CD . GLN A 1 14 ? 32.667 -6.564 23.810 1.00 38.83 ? 355 GLN A CD 1 ATOM 113 O OE1 . GLN A 1 14 ? 31.904 -5.665 24.162 1.00 38.66 ? 355 GLN A OE1 1 ATOM 114 N NE2 . GLN A 1 14 ? 33.991 -6.440 23.855 1.00 40.20 ? 355 GLN A NE2 1 ATOM 115 N N . LYS A 1 15 ? 32.345 -7.618 19.460 1.00 31.03 ? 356 LYS A N 1 ATOM 116 C CA . LYS A 1 15 ? 33.421 -7.875 18.510 1.00 29.92 ? 356 LYS A CA 1 ATOM 117 C C . LYS A 1 15 ? 33.684 -6.598 17.699 1.00 29.97 ? 356 LYS A C 1 ATOM 118 O O . LYS A 1 15 ? 34.836 -6.239 17.474 1.00 30.70 ? 356 LYS A O 1 ATOM 119 C CB . LYS A 1 15 ? 33.030 -9.020 17.571 1.00 30.61 ? 356 LYS A CB 1 ATOM 120 C CG . LYS A 1 15 ? 34.142 -9.487 16.644 1.00 30.50 ? 356 LYS A CG 1 ATOM 121 C CD . LYS A 1 15 ? 33.786 -10.812 15.976 1.00 31.26 ? 356 LYS A CD 1 ATOM 122 C CE . LYS A 1 15 ? 34.670 -11.094 14.765 1.00 31.39 ? 356 LYS A CE 1 ATOM 123 N NZ . LYS A 1 15 ? 34.351 -10.195 13.619 1.00 31.30 ? 356 LYS A NZ 1 ATOM 124 N N . LYS A 1 16 ? 32.633 -5.901 17.266 1.00 29.66 ? 357 LYS A N 1 ATOM 125 C CA . LYS A 1 16 ? 32.829 -4.675 16.487 1.00 28.88 ? 357 LYS A CA 1 ATOM 126 C C . LYS A 1 16 ? 33.418 -3.515 17.291 1.00 29.25 ? 357 LYS A C 1 ATOM 127 O O . LYS A 1 16 ? 34.246 -2.756 16.778 1.00 28.72 ? 357 LYS A O 1 ATOM 128 C CB . LYS A 1 16 ? 31.512 -4.201 15.846 1.00 29.15 ? 357 LYS A CB 1 ATOM 129 C CG . LYS A 1 16 ? 31.659 -2.865 15.099 1.00 29.30 ? 357 LYS A CG 1 ATOM 130 C CD . LYS A 1 16 ? 30.812 -2.762 13.839 1.00 29.42 ? 357 LYS A CD 1 ATOM 131 C CE . LYS A 1 16 ? 30.700 -1.298 13.402 1.00 31.08 ? 357 LYS A CE 1 ATOM 132 N NZ . LYS A 1 16 ? 29.772 -1.068 12.257 1.00 32.80 ? 357 LYS A NZ 1 ATOM 133 N N . CYS A 1 17 ? 32.985 -3.376 18.541 1.00 28.95 ? 358 CYS A N 1 ATOM 134 C CA . CYS A 1 17 ? 33.469 -2.307 19.396 1.00 28.49 ? 358 CYS A CA 1 ATOM 135 C C . CYS A 1 17 ? 34.961 -2.533 19.650 1.00 28.91 ? 358 CYS A C 1 ATOM 136 O O . CYS A 1 17 ? 35.767 -1.627 19.467 1.00 29.58 ? 358 CYS A O 1 ATOM 137 C CB . CYS A 1 17 ? 32.661 -2.290 20.702 1.00 29.23 ? 358 CYS A CB 1 ATOM 138 S SG . CYS A 1 17 ? 33.154 -0.941 21.814 1.00 27.06 ? 358 CYS A SG 1 ATOM 139 N N . GLN A 1 18 ? 35.319 -3.747 20.056 1.00 29.36 ? 359 GLN A N 1 ATOM 140 C CA . GLN A 1 18 ? 36.715 -4.092 20.311 1.00 30.43 ? 359 GLN A CA 1 ATOM 141 C C . GLN A 1 18 ? 37.653 -3.660 19.159 1.00 30.07 ? 359 GLN A C 1 ATOM 142 O O . GLN A 1 18 ? 38.776 -3.222 19.418 1.00 29.60 ? 359 GLN A O 1 ATOM 143 C CB . GLN A 1 18 ? 36.849 -5.607 20.555 1.00 31.31 ? 359 GLN A CB 1 ATOM 144 C CG . GLN A 1 18 ? 36.650 -6.026 22.012 1.00 33.47 ? 359 GLN A CG 1 ATOM 145 C CD . GLN A 1 18 ? 36.431 -7.522 22.171 1.00 35.27 ? 359 GLN A CD 1 ATOM 146 O OE1 . GLN A 1 18 ? 36.106 -8.214 21.207 1.00 37.55 ? 359 GLN A OE1 1 ATOM 147 N NE2 . GLN A 1 18 ? 36.581 -8.023 23.393 1.00 35.37 ? 359 GLN A NE2 1 ATOM 148 N N . GLN A 1 19 ? 37.198 -3.820 17.942 1.00 29.79 ? 360 GLN A N 1 ATOM 149 C CA . GLN A 1 19 ? 37.894 -3.405 16.763 1.00 31.04 ? 360 GLN A CA 1 ATOM 150 C C . GLN A 1 19 ? 38.041 -1.899 16.594 1.00 31.25 ? 360 GLN A C 1 ATOM 151 O O . GLN A 1 19 ? 39.073 -1.410 16.359 1.00 31.36 ? 360 GLN A O 1 ATOM 152 C CB . GLN A 1 19 ? 37.164 -3.972 15.591 1.00 32.48 ? 360 GLN A CB 1 ATOM 153 C CG . GLN A 1 19 ? 37.969 -4.856 14.785 1.00 35.17 ? 360 GLN A CG 1 ATOM 154 C CD . GLN A 1 19 ? 37.180 -5.942 14.177 1.00 38.42 ? 360 GLN A CD 1 ATOM 155 O OE1 . GLN A 1 19 ? 35.989 -5.816 14.018 1.00 40.10 ? 360 GLN A OE1 1 ATOM 156 N NE2 . GLN A 1 19 ? 37.840 -7.039 13.841 1.00 38.28 ? 360 GLN A NE2 1 ATOM 157 N N . TRP A 1 20 ? 36.964 -1.176 16.719 1.00 31.45 ? 361 TRP A N 1 ATOM 158 C CA . TRP A 1 20 ? 36.995 0.244 16.811 1.00 31.24 ? 361 TRP A CA 1 ATOM 159 C C . TRP A 1 20 ? 37.980 0.664 17.852 1.00 32.46 ? 361 TRP A C 1 ATOM 160 O O . TRP A 1 20 ? 38.771 1.534 17.620 1.00 32.08 ? 361 TRP A O 1 ATOM 161 C CB . TRP A 1 20 ? 35.605 0.717 17.183 1.00 29.88 ? 361 TRP A CB 1 ATOM 162 C CG . TRP A 1 20 ? 35.464 2.125 17.299 1.00 28.83 ? 361 TRP A CG 1 ATOM 163 C CD1 . TRP A 1 20 ? 36.348 3.031 16.944 1.00 27.94 ? 361 TRP A CD1 1 ATOM 164 C CD2 . TRP A 1 20 ? 34.375 2.812 17.839 1.00 27.72 ? 361 TRP A CD2 1 ATOM 165 N NE1 . TRP A 1 20 ? 35.900 4.264 17.203 1.00 27.80 ? 361 TRP A NE1 1 ATOM 166 C CE2 . TRP A 1 20 ? 34.670 4.161 17.761 1.00 27.39 ? 361 TRP A CE2 1 ATOM 167 C CE3 . TRP A 1 20 ? 33.167 2.422 18.370 1.00 27.10 ? 361 TRP A CE3 1 ATOM 168 C CZ2 . TRP A 1 20 ? 33.815 5.124 18.180 1.00 26.70 ? 361 TRP A CZ2 1 ATOM 169 C CZ3 . TRP A 1 20 ? 32.319 3.374 18.797 1.00 28.82 ? 361 TRP A CZ3 1 ATOM 170 C CH2 . TRP A 1 20 ? 32.641 4.714 18.708 1.00 27.12 ? 361 TRP A CH2 1 ATOM 171 N N . SER A 1 21 ? 37.897 0.032 19.012 1.00 33.62 ? 362 SER A N 1 ATOM 172 C CA . SER A 1 21 ? 38.778 0.330 20.150 1.00 35.18 ? 362 SER A CA 1 ATOM 173 C C . SER A 1 21 ? 40.246 0.126 19.743 1.00 37.40 ? 362 SER A C 1 ATOM 174 O O . SER A 1 21 ? 41.049 1.056 19.818 1.00 38.28 ? 362 SER A O 1 ATOM 175 C CB . SER A 1 21 ? 38.408 -0.571 21.339 1.00 34.01 ? 362 SER A CB 1 ATOM 176 O OG . SER A 1 21 ? 39.218 -0.290 22.465 1.00 32.65 ? 362 SER A OG 1 ATOM 177 N N . GLN A 1 22 ? 40.605 -1.070 19.336 1.00 39.23 ? 363 GLN A N 1 ATOM 178 C CA . GLN A 1 22 ? 41.925 -1.344 18.850 1.00 41.64 ? 363 GLN A CA 1 ATOM 179 C C . GLN A 1 22 ? 42.427 -0.280 17.903 1.00 42.49 ? 363 GLN A C 1 ATOM 180 O O . GLN A 1 22 ? 43.525 0.171 18.007 1.00 43.10 ? 363 GLN A O 1 ATOM 181 C CB . GLN A 1 22 ? 41.910 -2.682 18.149 1.00 43.80 ? 363 GLN A CB 1 ATOM 182 C CG . GLN A 1 22 ? 43.203 -3.367 18.161 1.00 46.29 ? 363 GLN A CG 1 ATOM 183 C CD . GLN A 1 22 ? 43.645 -3.758 16.805 1.00 48.08 ? 363 GLN A CD 1 ATOM 184 O OE1 . GLN A 1 22 ? 43.352 -4.846 16.341 1.00 48.73 ? 363 GLN A OE1 1 ATOM 185 N NE2 . GLN A 1 22 ? 44.351 -2.875 16.147 1.00 49.35 ? 363 GLN A NE2 1 ATOM 186 N N . GLN A 1 23 ? 41.591 0.088 16.960 1.00 42.82 ? 364 GLN A N 1 ATOM 187 C CA . GLN A 1 23 ? 41.892 1.121 15.963 1.00 43.67 ? 364 GLN A CA 1 ATOM 188 C C . GLN A 1 23 ? 41.859 2.570 16.450 1.00 44.40 ? 364 GLN A C 1 ATOM 189 O O . GLN A 1 23 ? 42.351 3.462 15.755 1.00 44.22 ? 364 GLN A O 1 ATOM 190 C CB . GLN A 1 23 ? 40.957 0.961 14.754 1.00 45.11 ? 364 GLN A CB 1 ATOM 191 C CG . GLN A 1 23 ? 41.322 -0.181 13.805 1.00 46.01 ? 364 GLN A CG 1 ATOM 192 C CD . GLN A 1 23 ? 42.438 0.184 12.846 1.00 46.94 ? 364 GLN A CD 1 ATOM 193 O OE1 . GLN A 1 23 ? 42.761 1.359 12.666 1.00 48.77 ? 364 GLN A OE1 1 ATOM 194 N NE2 . GLN A 1 23 ? 43.017 -0.822 12.206 1.00 46.80 ? 364 GLN A NE2 1 ATOM 195 N N . SER A 1 24 ? 41.264 2.822 17.613 1.00 44.64 ? 365 SER A N 1 ATOM 196 C CA . SER A 1 24 ? 41.248 4.187 18.130 1.00 44.65 ? 365 SER A CA 1 ATOM 197 C C . SER A 1 24 ? 42.445 4.321 19.094 1.00 45.36 ? 365 SER A C 1 ATOM 198 O O . SER A 1 24 ? 42.699 5.399 19.636 1.00 45.78 ? 365 SER A O 1 ATOM 199 C CB . SER A 1 24 ? 39.921 4.522 18.847 1.00 44.59 ? 365 SER A CB 1 ATOM 200 O OG . SER A 1 24 ? 39.744 3.830 20.065 1.00 45.40 ? 365 SER A OG 1 ATOM 201 N N . GLY A 1 25 ? 43.201 3.227 19.256 1.00 45.47 ? 366 GLY A N 1 ATOM 202 C CA . GLY A 1 25 ? 44.367 3.213 20.133 1.00 45.06 ? 366 GLY A CA 1 ATOM 203 C C . GLY A 1 25 ? 43.855 3.467 21.527 1.00 45.04 ? 366 GLY A C 1 ATOM 204 O O . GLY A 1 25 ? 44.348 4.320 22.261 1.00 44.99 ? 366 GLY A O 1 ATOM 205 N N . GLN A 1 26 ? 42.875 2.653 21.881 1.00 45.12 ? 367 GLN A N 1 ATOM 206 C CA . GLN A 1 26 ? 42.143 2.716 23.130 1.00 44.14 ? 367 GLN A CA 1 ATOM 207 C C . GLN A 1 26 ? 41.601 4.129 23.439 1.00 42.35 ? 367 GLN A C 1 ATOM 208 O O . GLN A 1 26 ? 41.486 4.519 24.605 1.00 42.73 ? 367 GLN A O 1 ATOM 209 C CB . GLN A 1 26 ? 42.926 2.136 24.325 1.00 45.63 ? 367 GLN A CB 1 ATOM 210 C CG . GLN A 1 26 ? 43.995 1.103 23.989 1.00 48.76 ? 367 GLN A CG 1 ATOM 211 C CD . GLN A 1 26 ? 43.493 -0.311 23.684 1.00 51.69 ? 367 GLN A CD 1 ATOM 212 O OE1 . GLN A 1 26 ? 42.308 -0.618 23.812 1.00 52.78 ? 367 GLN A OE1 1 ATOM 213 N NE2 . GLN A 1 26 ? 44.421 -1.186 23.289 1.00 52.16 ? 367 GLN A NE2 1 ATOM 214 N N . ASN A 1 27 ? 41.293 4.891 22.399 1.00 40.20 ? 368 ASN A N 1 ATOM 215 C CA . ASN A 1 27 ? 40.607 6.155 22.579 1.00 39.13 ? 368 ASN A CA 1 ATOM 216 C C . ASN A 1 27 ? 39.224 5.976 22.930 1.00 37.83 ? 368 ASN A C 1 ATOM 217 O O . ASN A 1 27 ? 38.693 6.747 23.642 1.00 38.57 ? 368 ASN A O 1 ATOM 218 C CB . ASN A 1 27 ? 40.736 7.076 21.368 1.00 40.01 ? 368 ASN A CB 1 ATOM 219 C CG . ASN A 1 27 ? 41.680 8.180 21.649 1.00 41.20 ? 368 ASN A CG 1 ATOM 220 O OD1 . ASN A 1 27 ? 42.449 8.110 22.596 1.00 41.26 ? 368 ASN A OD1 1 ATOM 221 N ND2 . ASN A 1 27 ? 41.655 9.220 20.843 1.00 41.61 ? 368 ASN A ND2 1 ATOM 222 N N . VAL A 1 28 ? 38.651 4.909 22.460 1.00 36.02 ? 369 VAL A N 1 ATOM 223 C CA . VAL A 1 28 ? 37.326 4.458 22.887 1.00 33.86 ? 369 VAL A CA 1 ATOM 224 C C . VAL A 1 28 ? 37.514 2.986 23.309 1.00 32.82 ? 369 VAL A C 1 ATOM 225 O O . VAL A 1 28 ? 38.215 2.213 22.630 1.00 31.57 ? 369 VAL A O 1 ATOM 226 C CB . VAL A 1 28 ? 36.247 4.470 21.757 1.00 34.53 ? 369 VAL A CB 1 ATOM 227 C CG1 . VAL A 1 28 ? 35.006 3.670 22.203 1.00 34.00 ? 369 VAL A CG1 1 ATOM 228 C CG2 . VAL A 1 28 ? 35.854 5.900 21.446 1.00 34.05 ? 369 VAL A CG2 1 ATOM 229 N N . THR A 1 29 ? 36.955 2.630 24.468 1.00 31.51 ? 370 THR A N 1 ATOM 230 C CA . THR A 1 29 ? 36.990 1.255 24.936 1.00 29.86 ? 370 THR A CA 1 ATOM 231 C C . THR A 1 29 ? 35.549 0.739 24.959 1.00 29.34 ? 370 THR A C 1 ATOM 232 O O . THR A 1 29 ? 34.588 1.487 24.715 1.00 29.45 ? 370 THR A O 1 ATOM 233 C CB . THR A 1 29 ? 37.692 1.077 26.253 1.00 30.04 ? 370 THR A CB 1 ATOM 234 O OG1 . THR A 1 29 ? 37.400 2.180 27.097 1.00 31.94 ? 370 THR A OG1 1 ATOM 235 C CG2 . THR A 1 29 ? 39.200 0.980 26.010 1.00 29.50 ? 370 THR A CG2 1 ATOM 236 N N . CYS A 1 30 ? 35.408 -0.530 25.300 1.00 29.30 ? 371 CYS A N 1 ATOM 237 C CA . CYS A 1 30 ? 34.144 -1.232 25.254 1.00 28.15 ? 371 CYS A CA 1 ATOM 238 C C . CYS A 1 30 ? 33.627 -1.882 26.481 1.00 27.65 ? 371 CYS A C 1 ATOM 239 O O . CYS A 1 30 ? 34.390 -2.414 27.265 1.00 27.76 ? 371 CYS A O 1 ATOM 240 C CB . CYS A 1 30 ? 34.296 -2.330 24.204 1.00 27.67 ? 371 CYS A CB 1 ATOM 241 S SG . CYS A 1 30 ? 34.880 -1.657 22.601 1.00 28.04 ? 371 CYS A SG 1 ATOM 242 N N . ALA A 1 31 ? 32.311 -1.880 26.603 1.00 25.95 ? 372 ALA A N 1 ATOM 243 C CA . ALA A 1 31 ? 31.661 -2.546 27.703 1.00 24.24 ? 372 ALA A CA 1 ATOM 244 C C . ALA A 1 31 ? 30.515 -3.259 27.013 1.00 22.44 ? 372 ALA A C 1 ATOM 245 O O . ALA A 1 31 ? 29.837 -2.687 26.165 1.00 23.64 ? 372 ALA A O 1 ATOM 246 C CB . ALA A 1 31 ? 31.118 -1.556 28.714 1.00 23.23 ? 372 ALA A CB 1 ATOM 247 N N . THR A 1 32 ? 30.320 -4.524 27.339 1.00 22.35 ? 373 THR A N 1 ATOM 248 C CA . THR A 1 32 ? 29.244 -5.290 26.743 0.50 20.28 ? 373 THR A CA 1 ATOM 249 C C . THR A 1 32 ? 28.200 -5.618 27.808 1.00 20.18 ? 373 THR A C 1 ATOM 250 O O . THR A 1 32 ? 28.491 -5.607 29.006 1.00 20.27 ? 373 THR A O 1 ATOM 251 C CB . THR A 1 32 ? 29.762 -6.639 26.167 0.50 19.11 ? 373 THR A CB 1 ATOM 252 O OG1 . THR A 1 32 ? 28.672 -7.371 25.592 0.50 18.88 ? 373 THR A OG1 1 ATOM 253 C CG2 . THR A 1 32 ? 30.402 -7.478 27.265 0.50 19.67 ? 373 THR A CG2 1 ATOM 254 N N . ALA A 1 33 ? 26.963 -5.820 27.354 1.00 20.82 ? 374 ALA A N 1 ATOM 255 C CA . ALA A 1 33 ? 25.836 -6.223 28.197 1.00 19.61 ? 374 ALA A CA 1 ATOM 256 C C . ALA A 1 33 ? 24.858 -6.961 27.262 1.00 20.89 ? 374 ALA A C 1 ATOM 257 O O . ALA A 1 33 ? 24.959 -6.853 26.029 1.00 21.01 ? 374 ALA A O 1 ATOM 258 C CB . ALA A 1 33 ? 25.177 -5.061 28.885 1.00 18.75 ? 374 ALA A CB 1 ATOM 259 N N . SER A 1 34 ? 23.920 -7.718 27.832 1.00 20.60 ? 375 SER A N 1 ATOM 260 C CA . SER A 1 34 ? 22.974 -8.532 27.045 1.00 20.67 ? 375 SER A CA 1 ATOM 261 C C . SER A 1 34 ? 21.782 -7.884 26.398 1.00 21.15 ? 375 SER A C 1 ATOM 262 O O . SER A 1 34 ? 21.144 -8.462 25.522 1.00 22.58 ? 375 SER A O 1 ATOM 263 C CB . SER A 1 34 ? 22.478 -9.719 27.890 1.00 21.64 ? 375 SER A CB 1 ATOM 264 O OG . SER A 1 34 ? 23.528 -10.623 28.206 1.00 22.42 ? 375 SER A OG 1 ATOM 265 N N . THR A 1 35 ? 21.482 -6.675 26.813 1.00 20.72 ? 376 THR A N 1 ATOM 266 C CA . THR A 1 35 ? 20.340 -5.985 26.252 1.00 20.70 ? 376 THR A CA 1 ATOM 267 C C . THR A 1 35 ? 20.606 -4.505 26.382 1.00 20.00 ? 376 THR A C 1 ATOM 268 O O . THR A 1 35 ? 21.446 -4.091 27.177 1.00 19.53 ? 376 THR A O 1 ATOM 269 C CB . THR A 1 35 ? 19.068 -6.231 27.075 1.00 21.53 ? 376 THR A CB 1 ATOM 270 O OG1 . THR A 1 35 ? 19.239 -5.624 28.363 1.00 25.86 ? 376 THR A OG1 1 ATOM 271 C CG2 . THR A 1 35 ? 18.798 -7.717 27.277 1.00 20.94 ? 376 THR A CG2 1 ATOM 272 N N . THR A 1 36 ? 19.860 -3.723 25.608 1.00 20.23 ? 377 THR A N 1 ATOM 273 C CA . THR A 1 36 ? 19.939 -2.261 25.601 1.00 20.55 ? 377 THR A CA 1 ATOM 274 C C . THR A 1 36 ? 19.516 -1.707 26.996 1.00 20.90 ? 377 THR A C 1 ATOM 275 O O . THR A 1 36 ? 20.077 -0.724 27.471 1.00 20.87 ? 377 THR A O 1 ATOM 276 C CB . THR A 1 36 ? 19.033 -1.709 24.488 1.00 19.47 ? 377 THR A CB 1 ATOM 277 O OG1 . THR A 1 36 ? 19.497 -2.211 23.228 1.00 19.17 ? 377 THR A OG1 1 ATOM 278 C CG2 . THR A 1 36 ? 19.076 -0.197 24.450 1.00 19.76 ? 377 THR A CG2 1 ATOM 279 N N . ASP A 1 37 ? 18.535 -2.327 27.651 1.00 21.78 ? 378 ASP A N 1 ATOM 280 C CA . ASP A 1 37 ? 18.132 -1.869 28.983 1.00 22.33 ? 378 ASP A CA 1 ATOM 281 C C . ASP A 1 37 ? 19.338 -2.004 29.927 1.00 22.20 ? 378 ASP A C 1 ATOM 282 O O . ASP A 1 37 ? 19.560 -1.138 30.778 1.00 23.35 ? 378 ASP A O 1 ATOM 283 C CB . ASP A 1 37 ? 16.958 -2.694 29.510 1.00 22.77 ? 378 ASP A CB 1 ATOM 284 C CG . ASP A 1 37 ? 15.663 -2.356 28.808 1.00 23.18 ? 378 ASP A CG 1 ATOM 285 O OD1 . ASP A 1 37 ? 15.566 -1.239 28.263 1.00 21.70 ? 378 ASP A OD1 1 ATOM 286 O OD2 . ASP A 1 37 ? 14.742 -3.189 28.815 1.00 25.54 ? 378 ASP A OD2 1 ATOM 287 N N . ASP A 1 38 ? 20.123 -3.074 29.776 1.00 21.65 ? 379 ASP A N 1 ATOM 288 C CA . ASP A 1 38 ? 21.304 -3.269 30.621 1.00 21.58 ? 379 ASP A CA 1 ATOM 289 C C . ASP A 1 38 ? 22.375 -2.212 30.345 1.00 20.60 ? 379 ASP A C 1 ATOM 290 O O . ASP A 1 38 ? 23.063 -1.777 31.266 1.00 21.07 ? 379 ASP A O 1 ATOM 291 C CB . ASP A 1 38 ? 21.897 -4.666 30.422 1.00 23.07 ? 379 ASP A CB 1 ATOM 292 C CG . ASP A 1 38 ? 21.131 -5.746 31.186 1.00 24.48 ? 379 ASP A CG 1 ATOM 293 O OD1 . ASP A 1 38 ? 20.196 -5.416 31.951 1.00 26.07 ? 379 ASP A OD1 1 ATOM 294 O OD2 . ASP A 1 38 ? 21.469 -6.932 31.025 1.00 26.23 ? 379 ASP A OD2 1 ATOM 295 N N . CYS A 1 39 ? 22.510 -1.808 29.081 1.00 20.82 ? 380 CYS A N 1 ATOM 296 C CA . CYS A 1 39 ? 23.476 -0.791 28.671 1.00 20.15 ? 380 CYS A CA 1 ATOM 297 C C . CYS A 1 39 ? 23.059 0.599 29.107 1.00 20.68 ? 380 CYS A C 1 ATOM 298 O O . CYS A 1 39 ? 23.906 1.476 29.245 1.00 20.63 ? 380 CYS A O 1 ATOM 299 C CB . CYS A 1 39 ? 23.638 -0.794 27.169 1.00 18.84 ? 380 CYS A CB 1 ATOM 300 S SG . CYS A 1 39 ? 24.991 -1.869 26.567 1.00 16.63 ? 380 CYS A SG 1 ATOM 301 N N . ILE A 1 40 ? 21.747 0.819 29.235 1.00 22.71 ? 381 ILE A N 1 ATOM 302 C CA . ILE A 1 40 ? 21.222 2.104 29.704 1.00 23.53 ? 381 ILE A CA 1 ATOM 303 C C . ILE A 1 40 ? 21.714 2.102 31.182 1.00 23.54 ? 381 ILE A C 1 ATOM 304 O O . ILE A 1 40 ? 22.272 3.092 31.675 1.00 23.65 ? 381 ILE A O 1 ATOM 305 C CB . ILE A 1 40 ? 19.642 2.141 29.725 1.00 24.41 ? 381 ILE A CB 1 ATOM 306 C CG1 . ILE A 1 40 ? 19.059 2.655 28.395 1.00 23.69 ? 381 ILE A CG1 1 ATOM 307 C CG2 . ILE A 1 40 ? 19.170 3.116 30.807 1.00 24.29 ? 381 ILE A CG2 1 ATOM 308 C CD1 . ILE A 1 40 ? 19.453 1.921 27.149 1.00 25.57 ? 381 ILE A CD1 1 ATOM 309 N N . VAL A 1 41 ? 21.509 0.978 31.877 1.00 23.51 ? 382 VAL A N 1 ATOM 310 C CA . VAL A 1 41 ? 21.913 0.832 33.279 1.00 23.23 ? 382 VAL A CA 1 ATOM 311 C C . VAL A 1 41 ? 23.419 1.063 33.488 1.00 22.58 ? 382 VAL A C 1 ATOM 312 O O . VAL A 1 41 ? 23.782 1.882 34.330 1.00 22.65 ? 382 VAL A O 1 ATOM 313 C CB . VAL A 1 41 ? 21.466 -0.578 33.838 1.00 23.01 ? 382 VAL A CB 1 ATOM 314 C CG1 . VAL A 1 41 ? 22.223 -0.927 35.129 1.00 23.69 ? 382 VAL A CG1 1 ATOM 315 C CG2 . VAL A 1 41 ? 19.959 -0.543 34.150 1.00 22.26 ? 382 VAL A CG2 1 ATOM 316 N N . LEU A 1 42 ? 24.296 0.397 32.728 1.00 21.97 ? 383 LEU A N 1 ATOM 317 C CA . LEU A 1 42 ? 25.739 0.614 32.917 1.00 21.14 ? 383 LEU A CA 1 ATOM 318 C C . LEU A 1 42 ? 26.056 2.120 32.815 1.00 20.64 ? 383 LEU A C 1 ATOM 319 O O . LEU A 1 42 ? 26.846 2.635 33.609 1.00 21.19 ? 383 LEU A O 1 ATOM 320 C CB . LEU A 1 42 ? 26.596 -0.190 31.896 1.00 20.43 ? 383 LEU A CB 1 ATOM 321 C CG . LEU A 1 42 ? 26.708 -1.737 31.989 1.00 18.54 ? 383 LEU A CG 1 ATOM 322 C CD1 . LEU A 1 42 ? 27.392 -2.272 30.748 1.00 20.22 ? 383 LEU A CD1 1 ATOM 323 C CD2 . LEU A 1 42 ? 27.503 -2.155 33.207 1.00 19.26 ? 383 LEU A CD2 1 ATOM 324 N N . VAL A 1 43 ? 25.425 2.827 31.877 1.00 20.17 ? 384 VAL A N 1 ATOM 325 C CA . VAL A 1 43 ? 25.653 4.264 31.708 1.00 20.49 ? 384 VAL A CA 1 ATOM 326 C C . VAL A 1 43 ? 25.242 5.079 32.958 1.00 22.88 ? 384 VAL A C 1 ATOM 327 O O . VAL A 1 43 ? 25.969 5.988 33.370 1.00 23.76 ? 384 VAL A O 1 ATOM 328 C CB . VAL A 1 43 ? 24.898 4.796 30.447 1.00 21.09 ? 384 VAL A CB 1 ATOM 329 C CG1 . VAL A 1 43 ? 24.950 6.334 30.408 1.00 17.82 ? 384 VAL A CG1 1 ATOM 330 C CG2 . VAL A 1 43 ? 25.541 4.181 29.181 1.00 17.27 ? 384 VAL A CG2 1 ATOM 331 N N . LEU A 1 44 ? 24.081 4.775 33.547 1.00 23.32 ? 385 LEU A N 1 ATOM 332 C CA . LEU A 1 44 ? 23.611 5.481 34.750 1.00 24.11 ? 385 LEU A CA 1 ATOM 333 C C . LEU A 1 44 ? 24.626 5.237 35.866 1.00 24.11 ? 385 LEU A C 1 ATOM 334 O O . LEU A 1 44 ? 24.917 6.129 36.670 1.00 23.67 ? 385 LEU A O 1 ATOM 335 C CB . LEU A 1 44 ? 22.255 4.929 35.227 1.00 25.69 ? 385 LEU A CB 1 ATOM 336 C CG . LEU A 1 44 ? 21.006 5.246 34.388 1.00 27.55 ? 385 LEU A CG 1 ATOM 337 C CD1 . LEU A 1 44 ? 19.793 4.463 34.905 1.00 26.89 ? 385 LEU A CD1 1 ATOM 338 C CD2 . LEU A 1 44 ? 20.746 6.746 34.447 1.00 27.67 ? 385 LEU A CD2 1 ATOM 339 N N . LYS A 1 45 ? 25.154 4.016 35.915 1.00 23.63 ? 386 LYS A N 1 ATOM 340 C CA . LYS A 1 45 ? 26.116 3.676 36.944 1.00 23.22 ? 386 LYS A CA 1 ATOM 341 C C . LYS A 1 45 ? 27.415 4.397 36.697 1.00 23.42 ? 386 LYS A C 1 ATOM 342 O O . LYS A 1 45 ? 28.154 4.689 37.637 1.00 24.30 ? 386 LYS A O 1 ATOM 343 C CB . LYS A 1 45 ? 26.323 2.161 37.002 1.00 21.41 ? 386 LYS A CB 1 ATOM 344 C CG . LYS A 1 45 ? 25.122 1.411 37.524 1.00 18.67 ? 386 LYS A CG 1 ATOM 345 C CD . LYS A 1 45 ? 25.601 0.156 38.199 1.00 18.13 ? 386 LYS A CD 1 ATOM 346 C CE . LYS A 1 45 ? 25.497 -1.051 37.291 1.00 18.69 ? 386 LYS A CE 1 ATOM 347 N NZ . LYS A 1 45 ? 26.100 -2.260 37.905 1.00 19.17 ? 386 LYS A NZ 1 ATOM 348 N N . GLY A 1 46 ? 27.681 4.680 35.426 1.00 22.86 ? 387 GLY A N 1 ATOM 349 C CA . GLY A 1 46 ? 28.889 5.388 35.070 1.00 22.60 ? 387 GLY A CA 1 ATOM 350 C C . GLY A 1 46 ? 29.996 4.498 34.560 1.00 22.67 ? 387 GLY A C 1 ATOM 351 O O . GLY A 1 46 ? 31.121 4.961 34.355 1.00 21.79 ? 387 GLY A O 1 ATOM 352 N N . GLU A 1 47 ? 29.676 3.215 34.373 1.00 22.99 ? 388 GLU A N 1 ATOM 353 C CA . GLU A 1 47 ? 30.655 2.253 33.871 1.00 22.70 ? 388 GLU A CA 1 ATOM 354 C C . GLU A 1 47 ? 30.732 2.240 32.340 1.00 23.74 ? 388 GLU A C 1 ATOM 355 O O . GLU A 1 47 ? 31.583 1.555 31.768 1.00 23.61 ? 388 GLU A O 1 ATOM 356 C CB . GLU A 1 47 ? 30.404 0.866 34.465 1.00 23.20 ? 388 GLU A CB 1 ATOM 357 C CG . GLU A 1 47 ? 30.252 0.871 35.978 1.00 23.11 ? 388 GLU A CG 1 ATOM 358 C CD . GLU A 1 47 ? 29.654 -0.426 36.474 1.00 24.79 ? 388 GLU A CD 1 ATOM 359 O OE1 . GLU A 1 47 ? 29.529 -1.386 35.673 1.00 23.59 ? 388 GLU A OE1 1 ATOM 360 O OE2 . GLU A 1 47 ? 29.324 -0.473 37.668 1.00 24.20 ? 388 GLU A OE2 1 ATOM 361 N N . ALA A 1 48 ? 29.783 2.924 31.687 1.00 23.14 ? 389 ALA A N 1 ATOM 362 C CA . ALA A 1 48 ? 29.863 3.140 30.225 1.00 23.08 ? 389 ALA A CA 1 ATOM 363 C C . ALA A 1 48 ? 29.500 4.622 30.033 1.00 22.74 ? 389 ALA A C 1 ATOM 364 O O . ALA A 1 48 ? 28.903 5.258 30.908 1.00 22.77 ? 389 ALA A O 1 ATOM 365 C CB . ALA A 1 48 ? 28.946 2.293 29.382 1.00 24.55 ? 389 ALA A CB 1 ATOM 366 N N . ASP A 1 49 ? 29.873 5.174 28.885 1.00 22.67 ? 390 ASP A N 1 ATOM 367 C CA . ASP A 1 49 ? 29.633 6.580 28.556 1.00 23.15 ? 390 ASP A CA 1 ATOM 368 C C . ASP A 1 49 ? 28.519 6.847 27.559 1.00 22.77 ? 390 ASP A C 1 ATOM 369 O O . ASP A 1 49 ? 27.763 7.814 27.695 1.00 23.40 ? 390 ASP A O 1 ATOM 370 C CB . ASP A 1 49 ? 30.878 7.208 27.908 1.00 23.97 ? 390 ASP A CB 1 ATOM 371 C CG . ASP A 1 49 ? 32.044 7.346 28.843 1.00 24.70 ? 390 ASP A CG 1 ATOM 372 O OD1 . ASP A 1 49 ? 31.893 8.023 29.875 1.00 25.90 ? 390 ASP A OD1 1 ATOM 373 O OD2 . ASP A 1 49 ? 33.121 6.791 28.529 1.00 26.21 ? 390 ASP A OD2 1 ATOM 374 N N . ALA A 1 50 ? 28.385 5.945 26.597 1.00 20.92 ? 391 ALA A N 1 ATOM 375 C CA . ALA A 1 50 ? 27.461 6.203 25.525 1.00 19.78 ? 391 ALA A CA 1 ATOM 376 C C . ALA A 1 50 ? 27.191 5.046 24.603 1.00 19.74 ? 391 ALA A C 1 ATOM 377 O O . ALA A 1 50 ? 28.050 4.179 24.411 1.00 19.22 ? 391 ALA A O 1 ATOM 378 C CB . ALA A 1 50 ? 28.104 7.319 24.660 1.00 18.45 ? 391 ALA A CB 1 ATOM 379 N N . LEU A 1 51 ? 26.004 5.073 24.004 1.00 18.50 ? 392 LEU A N 1 ATOM 380 C CA . LEU A 1 51 ? 25.632 4.109 22.976 1.00 17.46 ? 392 LEU A CA 1 ATOM 381 C C . LEU A 1 51 ? 24.584 4.773 22.053 1.00 17.60 ? 392 LEU A C 1 ATOM 382 O O . LEU A 1 51 ? 24.017 5.824 22.387 1.00 16.31 ? 392 LEU A O 1 ATOM 383 C CB . LEU A 1 51 ? 25.075 2.791 23.537 1.00 17.22 ? 392 LEU A CB 1 ATOM 384 C CG . LEU A 1 51 ? 23.662 2.689 24.111 1.00 16.47 ? 392 LEU A CG 1 ATOM 385 C CD1 . LEU A 1 51 ? 23.198 1.273 23.881 1.00 18.02 ? 392 LEU A CD1 1 ATOM 386 C CD2 . LEU A 1 51 ? 23.610 3.050 25.591 1.00 14.24 ? 392 LEU A CD2 1 ATOM 387 N N . ASN A 1 52 ? 24.387 4.176 20.867 1.00 17.67 ? 393 ASN A N 1 ATOM 388 C CA . ASN A 1 52 ? 23.437 4.637 19.832 1.00 17.43 ? 393 ASN A CA 1 ATOM 389 C C . ASN A 1 52 ? 22.092 3.939 20.091 1.00 18.17 ? 393 ASN A C 1 ATOM 390 O O . ASN A 1 52 ? 22.024 2.719 20.227 1.00 18.06 ? 393 ASN A O 1 ATOM 391 C CB . ASN A 1 52 ? 23.942 4.287 18.447 1.00 18.76 ? 393 ASN A CB 1 ATOM 392 C CG . ASN A 1 52 ? 23.161 4.985 17.368 1.00 16.77 ? 393 ASN A CG 1 ATOM 393 O OD1 . ASN A 1 52 ? 22.776 6.153 17.504 1.00 17.57 ? 393 ASN A OD1 1 ATOM 394 N ND2 . ASN A 1 52 ? 22.938 4.289 16.282 1.00 17.47 ? 393 ASN A ND2 1 ATOM 395 N N . LEU A 1 53 ? 21.018 4.719 20.051 1.00 20.00 ? 394 LEU A N 1 ATOM 396 C CA . LEU A 1 53 ? 19.689 4.236 20.406 1.00 19.29 ? 394 LEU A CA 1 ATOM 397 C C . LEU A 1 53 ? 18.446 4.551 19.588 1.00 18.36 ? 394 LEU A C 1 ATOM 398 O O . LEU A 1 53 ? 18.239 5.683 19.178 1.00 16.96 ? 394 LEU A O 1 ATOM 399 C CB . LEU A 1 53 ? 19.399 4.742 21.834 1.00 18.92 ? 394 LEU A CB 1 ATOM 400 C CG . LEU A 1 53 ? 19.949 4.179 23.157 1.00 18.29 ? 394 LEU A CG 1 ATOM 401 C CD1 . LEU A 1 53 ? 19.172 4.759 24.348 1.00 19.03 ? 394 LEU A CD1 1 ATOM 402 C CD2 . LEU A 1 53 ? 19.774 2.688 23.147 1.00 20.18 ? 394 LEU A CD2 1 ATOM 403 N N . ASP A 1 54 ? 17.603 3.549 19.392 1.00 18.81 ? 395 ASP A N 1 ATOM 404 C CA . ASP A 1 54 ? 16.345 3.767 18.698 1.00 19.19 ? 395 ASP A CA 1 ATOM 405 C C . ASP A 1 54 ? 15.477 4.670 19.640 1.00 20.70 ? 395 ASP A C 1 ATOM 406 O O . ASP A 1 54 ? 15.582 4.608 20.885 1.00 21.09 ? 395 ASP A O 1 ATOM 407 C CB . ASP A 1 54 ? 15.634 2.435 18.508 1.00 17.83 ? 395 ASP A CB 1 ATOM 408 C CG . ASP A 1 54 ? 14.234 2.600 18.007 1.00 19.62 ? 395 ASP A CG 1 ATOM 409 O OD1 . ASP A 1 54 ? 14.060 3.017 16.852 1.00 22.48 ? 395 ASP A OD1 1 ATOM 410 O OD2 . ASP A 1 54 ? 13.299 2.327 18.776 1.00 21.06 ? 395 ASP A OD2 1 ATOM 411 N N . GLY A 1 55 ? 14.615 5.488 19.035 1.00 19.44 ? 396 GLY A N 1 ATOM 412 C CA . GLY A 1 55 ? 13.740 6.384 19.778 1.00 20.07 ? 396 GLY A CA 1 ATOM 413 C C . GLY A 1 55 ? 12.994 5.796 20.970 1.00 21.16 ? 396 GLY A C 1 ATOM 414 O O . GLY A 1 55 ? 12.871 6.475 21.988 1.00 22.38 ? 396 GLY A O 1 ATOM 415 N N . GLY A 1 56 ? 12.488 4.569 20.856 1.00 20.82 ? 397 GLY A N 1 ATOM 416 C CA . GLY A 1 56 ? 11.775 3.959 21.967 1.00 22.76 ? 397 GLY A CA 1 ATOM 417 C C . GLY A 1 56 ? 12.628 3.844 23.226 1.00 24.57 ? 397 GLY A C 1 ATOM 418 O O . GLY A 1 56 ? 12.156 4.021 24.354 1.00 23.33 ? 397 GLY A O 1 ATOM 419 N N . TYR A 1 57 ? 13.907 3.552 23.007 1.00 26.20 ? 398 TYR A N 1 ATOM 420 C CA . TYR A 1 57 ? 14.886 3.408 24.078 1.00 26.55 ? 398 TYR A CA 1 ATOM 421 C C . TYR A 1 57 ? 15.317 4.791 24.588 1.00 27.61 ? 398 TYR A C 1 ATOM 422 O O . TYR A 1 57 ? 15.555 4.971 25.788 1.00 28.11 ? 398 TYR A O 1 ATOM 423 C CB . TYR A 1 57 ? 16.100 2.606 23.578 1.00 26.74 ? 398 TYR A CB 1 ATOM 424 C CG . TYR A 1 57 ? 15.818 1.145 23.225 1.00 25.80 ? 398 TYR A CG 1 ATOM 425 C CD1 . TYR A 1 57 ? 14.989 0.347 24.018 1.00 26.78 ? 398 TYR A CD1 1 ATOM 426 C CD2 . TYR A 1 57 ? 16.444 0.544 22.131 1.00 26.07 ? 398 TYR A CD2 1 ATOM 427 C CE1 . TYR A 1 57 ? 14.802 -1.026 23.726 1.00 27.56 ? 398 TYR A CE1 1 ATOM 428 C CE2 . TYR A 1 57 ? 16.269 -0.814 21.834 1.00 26.41 ? 398 TYR A CE2 1 ATOM 429 C CZ . TYR A 1 57 ? 15.448 -1.592 22.628 1.00 28.40 ? 398 TYR A CZ 1 ATOM 430 O OH . TYR A 1 57 ? 15.270 -2.922 22.311 1.00 29.38 ? 398 TYR A OH 1 ATOM 431 N N . ILE A 1 58 ? 15.426 5.751 23.664 1.00 28.27 ? 399 ILE A N 1 ATOM 432 C CA . ILE A 1 58 ? 15.793 7.148 23.956 1.00 27.89 ? 399 ILE A CA 1 ATOM 433 C C . ILE A 1 58 ? 14.782 7.593 25.026 1.00 27.74 ? 399 ILE A C 1 ATOM 434 O O . ILE A 1 58 ? 15.089 8.415 25.882 1.00 27.84 ? 399 ILE A O 1 ATOM 435 C CB . ILE A 1 58 ? 15.563 8.077 22.698 1.00 30.03 ? 399 ILE A CB 1 ATOM 436 C CG1 . ILE A 1 58 ? 16.485 7.642 21.552 1.00 29.98 ? 399 ILE A CG1 1 ATOM 437 C CG2 . ILE A 1 58 ? 15.734 9.555 23.079 1.00 29.16 ? 399 ILE A CG2 1 ATOM 438 C CD1 . ILE A 1 58 ? 17.970 7.762 21.797 1.00 32.72 ? 399 ILE A CD1 1 ATOM 439 N N . TYR A 1 59 ? 13.559 7.063 24.936 1.00 27.81 ? 400 TYR A N 1 ATOM 440 C CA . TYR A 1 59 ? 12.472 7.391 25.871 1.00 27.89 ? 400 TYR A CA 1 ATOM 441 C C . TYR A 1 59 ? 12.721 6.769 27.252 1.00 26.77 ? 400 TYR A C 1 ATOM 442 O O . TYR A 1 59 ? 12.427 7.390 28.277 1.00 27.57 ? 400 TYR A O 1 ATOM 443 C CB . TYR A 1 59 ? 11.139 6.895 25.312 1.00 27.80 ? 400 TYR A CB 1 ATOM 444 C CG . TYR A 1 59 ? 9.978 7.094 26.248 1.00 28.29 ? 400 TYR A CG 1 ATOM 445 C CD1 . TYR A 1 59 ? 9.275 8.294 26.273 1.00 29.51 ? 400 TYR A CD1 1 ATOM 446 C CD2 . TYR A 1 59 ? 9.583 6.082 27.115 1.00 27.98 ? 400 TYR A CD2 1 ATOM 447 C CE1 . TYR A 1 59 ? 8.203 8.482 27.133 1.00 29.56 ? 400 TYR A CE1 1 ATOM 448 C CE2 . TYR A 1 59 ? 8.517 6.257 27.982 1.00 30.12 ? 400 TYR A CE2 1 ATOM 449 C CZ . TYR A 1 59 ? 7.829 7.463 27.985 1.00 30.68 ? 400 TYR A CZ 1 ATOM 450 O OH . TYR A 1 59 ? 6.768 7.658 28.835 1.00 34.80 ? 400 TYR A OH 1 ATOM 451 N N . THR A 1 60 ? 13.234 5.539 27.269 1.00 25.14 ? 401 THR A N 1 ATOM 452 C CA . THR A 1 60 ? 13.545 4.845 28.517 1.00 25.68 ? 401 THR A CA 1 ATOM 453 C C . THR A 1 60 ? 14.684 5.635 29.187 1.00 24.36 ? 401 THR A C 1 ATOM 454 O O . THR A 1 60 ? 14.562 6.079 30.324 1.00 23.11 ? 401 THR A O 1 ATOM 455 C CB . THR A 1 60 ? 14.044 3.404 28.244 1.00 26.19 ? 401 THR A CB 1 ATOM 456 O OG1 . THR A 1 60 ? 13.029 2.674 27.551 1.00 27.21 ? 401 THR A OG1 1 ATOM 457 C CG2 . THR A 1 60 ? 14.359 2.677 29.555 1.00 27.04 ? 401 THR A CG2 1 ATOM 458 N N . ALA A 1 61 ? 15.775 5.820 28.441 1.00 23.73 ? 402 ALA A N 1 ATOM 459 C CA . ALA A 1 61 ? 16.975 6.542 28.876 1.00 23.30 ? 402 ALA A CA 1 ATOM 460 C C . ALA A 1 61 ? 16.710 7.975 29.340 1.00 24.07 ? 402 ALA A C 1 ATOM 461 O O . ALA A 1 61 ? 17.307 8.437 30.320 1.00 23.29 ? 402 ALA A O 1 ATOM 462 C CB . ALA A 1 61 ? 17.987 6.555 27.735 1.00 21.64 ? 402 ALA A CB 1 ATOM 463 N N . GLY A 1 62 ? 15.823 8.662 28.617 1.00 24.09 ? 403 GLY A N 1 ATOM 464 C CA . GLY A 1 62 ? 15.473 10.035 28.940 1.00 25.56 ? 403 GLY A CA 1 ATOM 465 C C . GLY A 1 62 ? 14.772 10.217 30.279 1.00 26.21 ? 403 GLY A C 1 ATOM 466 O O . GLY A 1 62 ? 15.014 11.205 30.968 1.00 25.78 ? 403 GLY A O 1 ATOM 467 N N . LYS A 1 63 ? 13.891 9.286 30.642 1.00 27.50 ? 404 LYS A N 1 ATOM 468 C CA . LYS A 1 63 ? 13.178 9.365 31.915 1.00 29.54 ? 404 LYS A CA 1 ATOM 469 C C . LYS A 1 63 ? 14.140 9.167 33.067 1.00 30.58 ? 404 LYS A C 1 ATOM 470 O O . LYS A 1 63 ? 13.871 9.587 34.199 1.00 31.18 ? 404 LYS A O 1 ATOM 471 C CB . LYS A 1 63 ? 12.071 8.321 31.980 1.00 31.14 ? 404 LYS A CB 1 ATOM 472 C CG . LYS A 1 63 ? 10.878 8.706 31.155 1.00 33.05 ? 404 LYS A CG 1 ATOM 473 C CD . LYS A 1 63 ? 9.610 8.227 31.811 1.00 36.04 ? 404 LYS A CD 1 ATOM 474 C CE . LYS A 1 63 ? 8.461 9.155 31.470 1.00 37.94 ? 404 LYS A CE 1 ATOM 475 N NZ . LYS A 1 63 ? 7.177 8.410 31.433 1.00 39.74 ? 404 LYS A NZ 1 ATOM 476 N N . CYS A 1 64 ? 15.256 8.512 32.744 1.00 31.95 ? 405 CYS A N 1 ATOM 477 C CA . CYS A 1 64 ? 16.334 8.237 33.681 1.00 31.08 ? 405 CYS A CA 1 ATOM 478 C C . CYS A 1 64 ? 17.435 9.290 33.595 1.00 30.05 ? 405 CYS A C 1 ATOM 479 O O . CYS A 1 64 ? 18.492 9.124 34.197 1.00 30.18 ? 405 CYS A O 1 ATOM 480 C CB . CYS A 1 64 ? 16.944 6.869 33.422 1.00 33.54 ? 405 CYS A CB 1 ATOM 481 S SG . CYS A 1 64 ? 15.749 5.517 33.706 1.00 35.93 ? 405 CYS A SG 1 ATOM 482 N N . GLY A 1 65 ? 17.234 10.331 32.792 1.00 29.09 ? 406 GLY A N 1 ATOM 483 C CA . GLY A 1 65 ? 18.239 11.375 32.730 1.00 27.03 ? 406 GLY A CA 1 ATOM 484 C C . GLY A 1 65 ? 19.243 11.487 31.619 1.00 27.30 ? 406 GLY A C 1 ATOM 485 O O . GLY A 1 65 ? 19.851 12.545 31.448 1.00 29.44 ? 406 GLY A O 1 ATOM 486 N N . LEU A 1 66 ? 19.454 10.404 30.887 1.00 27.10 ? 407 LEU A N 1 ATOM 487 C CA . LEU A 1 66 ? 20.419 10.426 29.797 1.00 25.36 ? 407 LEU A CA 1 ATOM 488 C C . LEU A 1 66 ? 19.873 11.373 28.721 1.00 25.62 ? 407 LEU A C 1 ATOM 489 O O . LEU A 1 66 ? 18.669 11.441 28.481 1.00 25.75 ? 407 LEU A O 1 ATOM 490 C CB . LEU A 1 66 ? 20.611 9.024 29.200 1.00 26.06 ? 407 LEU A CB 1 ATOM 491 C CG . LEU A 1 66 ? 20.938 7.777 30.041 1.00 24.85 ? 407 LEU A CG 1 ATOM 492 C CD1 . LEU A 1 66 ? 21.607 6.768 29.135 1.00 24.88 ? 407 LEU A CD1 1 ATOM 493 C CD2 . LEU A 1 66 ? 21.885 8.091 31.165 1.00 25.14 ? 407 LEU A CD2 1 ATOM 494 N N . VAL A 1 67 ? 20.764 12.095 28.055 1.00 25.77 ? 408 VAL A N 1 ATOM 495 C CA . VAL A 1 67 ? 20.347 13.051 27.030 1.00 25.80 ? 408 VAL A CA 1 ATOM 496 C C . VAL A 1 67 ? 20.830 12.703 25.621 1.00 25.88 ? 408 VAL A C 1 ATOM 497 O O . VAL A 1 67 ? 21.812 11.982 25.462 1.00 27.04 ? 408 VAL A O 1 ATOM 498 C CB . VAL A 1 67 ? 20.867 14.482 27.328 1.00 25.58 ? 408 VAL A CB 1 ATOM 499 C CG1 . VAL A 1 67 ? 20.146 15.114 28.520 1.00 25.45 ? 408 VAL A CG1 1 ATOM 500 C CG2 . VAL A 1 67 ? 22.392 14.420 27.581 1.00 24.36 ? 408 VAL A CG2 1 ATOM 501 N N . PRO A 1 68 ? 20.134 13.201 24.577 1.00 25.65 ? 409 PRO A N 1 ATOM 502 C CA . PRO A 1 68 ? 20.569 12.891 23.201 1.00 25.46 ? 409 PRO A CA 1 ATOM 503 C C . PRO A 1 68 ? 21.776 13.829 22.961 1.00 24.88 ? 409 PRO A C 1 ATOM 504 O O . PRO A 1 68 ? 21.742 15.013 23.322 1.00 24.83 ? 409 PRO A O 1 ATOM 505 C CB . PRO A 1 68 ? 19.362 13.268 22.337 1.00 26.11 ? 409 PRO A CB 1 ATOM 506 C CG . PRO A 1 68 ? 18.195 13.420 23.306 1.00 26.34 ? 409 PRO A CG 1 ATOM 507 C CD . PRO A 1 68 ? 18.809 13.852 24.611 1.00 26.04 ? 409 PRO A CD 1 ATOM 508 N N . VAL A 1 69 ? 22.807 13.319 22.299 1.00 24.58 ? 410 VAL A N 1 ATOM 509 C CA . VAL A 1 69 ? 24.070 14.020 22.022 1.00 23.97 ? 410 VAL A CA 1 ATOM 510 C C . VAL A 1 69 ? 24.430 14.337 20.575 1.00 24.58 ? 410 VAL A C 1 ATOM 511 O O . VAL A 1 69 ? 25.008 15.372 20.263 1.00 25.17 ? 410 VAL A O 1 ATOM 512 C CB . VAL A 1 69 ? 25.238 13.110 22.546 1.00 23.65 ? 410 VAL A CB 1 ATOM 513 C CG1 . VAL A 1 69 ? 26.555 13.548 21.991 1.00 23.56 ? 410 VAL A CG1 1 ATOM 514 C CG2 . VAL A 1 69 ? 25.284 13.126 24.060 1.00 24.23 ? 410 VAL A CG2 1 ATOM 515 N N . LEU A 1 70 ? 24.105 13.389 19.713 1.00 24.73 ? 411 LEU A N 1 ATOM 516 C CA . LEU A 1 70 ? 24.350 13.474 18.281 1.00 24.95 ? 411 LEU A CA 1 ATOM 517 C C . LEU A 1 70 ? 23.397 12.449 17.705 1.00 25.96 ? 411 LEU A C 1 ATOM 518 O O . LEU A 1 70 ? 23.175 11.394 18.300 1.00 24.66 ? 411 LEU A O 1 ATOM 519 C CB . LEU A 1 70 ? 25.790 13.094 17.895 1.00 25.41 ? 411 LEU A CB 1 ATOM 520 C CG . LEU A 1 70 ? 26.970 14.001 18.298 1.00 25.03 ? 411 LEU A CG 1 ATOM 521 C CD1 . LEU A 1 70 ? 28.191 13.143 18.562 1.00 24.69 ? 411 LEU A CD1 1 ATOM 522 C CD2 . LEU A 1 70 ? 27.266 15.011 17.197 1.00 23.85 ? 411 LEU A CD2 1 ATOM 523 N N . ALA A 1 71 ? 22.850 12.760 16.541 1.00 27.05 ? 412 ALA A N 1 ATOM 524 C CA . ALA A 1 71 ? 21.916 11.876 15.872 1.00 28.67 ? 412 ALA A CA 1 ATOM 525 C C . ALA A 1 71 ? 22.453 11.320 14.563 1.00 29.20 ? 412 ALA A C 1 ATOM 526 O O . ALA A 1 71 ? 23.375 11.864 13.947 1.00 28.50 ? 412 ALA A O 1 ATOM 527 C CB . ALA A 1 71 ? 20.595 12.622 15.597 1.00 28.14 ? 412 ALA A CB 1 ATOM 528 N N . GLU A 1 72 ? 21.860 10.206 14.160 1.00 30.03 ? 413 GLU A N 1 ATOM 529 C CA . GLU A 1 72 ? 22.211 9.536 12.917 1.00 31.21 ? 413 GLU A CA 1 ATOM 530 C C . GLU A 1 72 ? 21.659 10.357 11.742 1.00 32.55 ? 413 GLU A C 1 ATOM 531 O O . GLU A 1 72 ? 20.539 10.885 11.788 1.00 31.21 ? 413 GLU A O 1 ATOM 532 C CB . GLU A 1 72 ? 21.575 8.147 12.857 1.00 29.31 ? 413 GLU A CB 1 ATOM 533 C CG . GLU A 1 72 ? 22.464 7.033 13.320 1.00 27.04 ? 413 GLU A CG 1 ATOM 534 C CD . GLU A 1 72 ? 21.840 5.663 13.129 1.00 26.99 ? 413 GLU A CD 1 ATOM 535 O OE1 . GLU A 1 72 ? 20.730 5.574 12.553 1.00 25.11 ? 413 GLU A OE1 1 ATOM 536 O OE2 . GLU A 1 72 ? 22.470 4.669 13.546 1.00 27.03 ? 413 GLU A OE2 1 ATOM 537 N N . ASN A 1 73 ? 22.455 10.479 10.693 1.00 34.45 ? 414 ASN A N 1 ATOM 538 C CA . ASN A 1 73 ? 22.015 11.202 9.519 1.00 38.11 ? 414 ASN A CA 1 ATOM 539 C C . ASN A 1 73 ? 22.289 10.310 8.315 1.00 40.53 ? 414 ASN A C 1 ATOM 540 O O . ASN A 1 73 ? 23.438 9.976 8.023 1.00 41.65 ? 414 ASN A O 1 ATOM 541 C CB . ASN A 1 73 ? 22.746 12.534 9.375 1.00 37.52 ? 414 ASN A CB 1 ATOM 542 C CG . ASN A 1 73 ? 21.786 13.693 9.224 1.00 36.37 ? 414 ASN A CG 1 ATOM 543 O OD1 . ASN A 1 73 ? 20.588 13.496 9.022 1.00 36.44 ? 414 ASN A OD1 1 ATOM 544 N ND2 . ASN A 1 73 ? 22.303 14.903 9.311 1.00 36.32 ? 414 ASN A ND2 1 ATOM 545 N N . ARG A 1 74 ? 21.225 9.908 7.629 1.00 43.74 ? 415 ARG A N 1 ATOM 546 C CA . ARG A 1 74 ? 21.346 9.041 6.461 1.00 48.03 ? 415 ARG A CA 1 ATOM 547 C C . ARG A 1 74 ? 21.430 9.849 5.162 1.00 49.93 ? 415 ARG A C 1 ATOM 548 O O . ARG A 1 74 ? 21.178 11.054 5.174 1.00 49.97 ? 415 ARG A O 1 ATOM 549 C CB . ARG A 1 74 ? 20.161 8.066 6.415 1.00 49.23 ? 415 ARG A CB 1 ATOM 550 C CG . ARG A 1 74 ? 18.789 8.724 6.351 1.00 50.60 ? 415 ARG A CG 1 ATOM 551 C CD . ARG A 1 74 ? 17.685 7.679 6.259 1.00 51.95 ? 415 ARG A CD 1 ATOM 552 N NE . ARG A 1 74 ? 16.405 8.243 5.832 1.00 53.13 ? 415 ARG A NE 1 ATOM 553 C CZ . ARG A 1 74 ? 15.550 8.882 6.624 1.00 53.66 ? 415 ARG A CZ 1 ATOM 554 N NH1 . ARG A 1 74 ? 15.821 9.049 7.910 1.00 53.62 ? 415 ARG A NH1 1 ATOM 555 N NH2 . ARG A 1 74 ? 14.409 9.338 6.128 1.00 53.37 ? 415 ARG A NH2 1 ATOM 556 N N . LYS A 1 75 ? 21.789 9.191 4.053 1.00 52.83 ? 416 LYS A N 1 ATOM 557 C CA . LYS A 1 75 ? 21.940 9.861 2.746 1.00 56.60 ? 416 LYS A CA 1 ATOM 558 C C . LYS A 1 75 ? 20.708 10.762 2.544 1.00 59.19 ? 416 LYS A C 1 ATOM 559 O O . LYS A 1 75 ? 19.562 10.297 2.565 1.00 59.05 ? 416 LYS A O 1 ATOM 560 C CB . LYS A 1 75 ? 22.150 8.816 1.633 1.00 56.73 ? 416 LYS A CB 1 ATOM 561 C CG . LYS A 1 75 ? 22.876 9.380 0.410 1.00 57.79 ? 416 LYS A CG 1 ATOM 562 C CD . LYS A 1 75 ? 22.753 8.489 -0.827 1.00 58.27 ? 416 LYS A CD 1 ATOM 563 C CE . LYS A 1 75 ? 23.829 7.409 -0.882 1.00 58.78 ? 416 LYS A CE 1 ATOM 564 N NZ . LYS A 1 75 ? 23.829 6.643 -2.168 1.00 58.55 ? 416 LYS A NZ 1 ATOM 565 N N . SER A 1 76 ? 20.962 12.052 2.316 1.00 62.02 ? 417 SER A N 1 ATOM 566 C CA . SER A 1 76 ? 19.889 13.032 2.175 1.00 65.11 ? 417 SER A CA 1 ATOM 567 C C . SER A 1 76 ? 19.039 12.895 0.943 1.00 67.22 ? 417 SER A C 1 ATOM 568 O O . SER A 1 76 ? 19.534 12.584 -0.133 1.00 68.03 ? 417 SER A O 1 ATOM 569 C CB . SER A 1 76 ? 20.433 14.472 2.288 1.00 65.50 ? 417 SER A CB 1 ATOM 570 O OG . SER A 1 76 ? 19.378 15.427 2.324 1.00 66.47 ? 417 SER A OG 1 ATOM 571 N N . SER A 1 77 ? 17.742 13.119 1.126 1.00 68.95 ? 418 SER A N 1 ATOM 572 C CA . SER A 1 77 ? 16.787 13.012 0.036 1.00 70.37 ? 418 SER A CA 1 ATOM 573 C C . SER A 1 77 ? 17.217 13.862 -1.157 1.00 71.09 ? 418 SER A C 1 ATOM 574 O O . SER A 1 77 ? 17.416 13.350 -2.259 1.00 70.70 ? 418 SER A O 1 ATOM 575 C CB . SER A 1 77 ? 15.392 13.466 0.500 1.00 70.53 ? 418 SER A CB 1 ATOM 576 O OG . SER A 1 77 ? 14.950 12.749 1.645 1.00 70.49 ? 418 SER A OG 1 ATOM 577 N N . LYS A 1 78 ? 17.395 15.156 -0.908 1.00 71.79 ? 419 LYS A N 1 ATOM 578 C CA . LYS A 1 78 ? 17.771 16.122 -1.934 1.00 72.28 ? 419 LYS A CA 1 ATOM 579 C C . LYS A 1 78 ? 19.222 16.591 -1.858 1.00 72.70 ? 419 LYS A C 1 ATOM 580 O O . LYS A 1 78 ? 20.011 16.051 -1.084 1.00 72.82 ? 419 LYS A O 1 ATOM 581 C CB . LYS A 1 78 ? 16.954 17.402 -1.687 1.00 71.92 ? 419 LYS A CB 1 ATOM 582 C CG . LYS A 1 78 ? 16.997 17.929 -0.245 1.00 71.71 ? 419 LYS A CG 1 ATOM 583 C CD . LYS A 1 78 ? 15.888 18.945 0.030 1.00 71.25 ? 419 LYS A CD 1 ATOM 584 C CE . LYS A 1 78 ? 15.989 19.537 1.434 1.00 70.43 ? 419 LYS A CE 1 ATOM 585 N NZ . LYS A 1 78 ? 15.877 18.507 2.503 1.00 70.32 ? 419 LYS A NZ 1 ATOM 586 N N . HIS A 1 79 ? 19.561 17.577 -2.691 1.00 72.98 ? 420 HIS A N 1 ATOM 587 C CA . HIS A 1 79 ? 20.943 18.010 -2.883 1.00 73.31 ? 420 HIS A CA 1 ATOM 588 C C . HIS A 1 79 ? 21.283 19.030 -1.794 1.00 73.18 ? 420 HIS A C 1 ATOM 589 O O . HIS A 1 79 ? 21.278 20.247 -2.022 1.00 72.71 ? 420 HIS A O 1 ATOM 590 C CB . HIS A 1 79 ? 21.142 18.611 -4.295 1.00 73.90 ? 420 HIS A CB 1 ATOM 591 C CG . HIS A 1 79 ? 22.575 18.631 -4.765 1.00 74.67 ? 420 HIS A CG 1 ATOM 592 N ND1 . HIS A 1 79 ? 23.559 19.369 -4.140 1.00 75.14 ? 420 HIS A ND1 1 ATOM 593 C CD2 . HIS A 1 79 ? 23.182 18.006 -5.805 1.00 74.90 ? 420 HIS A CD2 1 ATOM 594 C CE1 . HIS A 1 79 ? 24.707 19.200 -4.775 1.00 75.08 ? 420 HIS A CE1 1 ATOM 595 N NE2 . HIS A 1 79 ? 24.506 18.378 -5.788 1.00 75.15 ? 420 HIS A NE2 1 ATOM 596 N N . SER A 1 80 ? 21.528 18.525 -0.591 1.00 72.75 ? 421 SER A N 1 ATOM 597 C CA . SER A 1 80 ? 21.912 19.413 0.489 1.00 72.16 ? 421 SER A CA 1 ATOM 598 C C . SER A 1 80 ? 23.421 19.118 0.638 1.00 71.75 ? 421 SER A C 1 ATOM 599 O O . SER A 1 80 ? 23.820 17.985 0.994 1.00 71.60 ? 421 SER A O 1 ATOM 600 C CB . SER A 1 80 ? 21.204 19.131 1.833 1.00 72.42 ? 421 SER A CB 1 ATOM 601 O OG . SER A 1 80 ? 21.446 20.177 2.774 1.00 72.16 ? 421 SER A OG 1 ATOM 602 N N . SER A 1 81 ? 24.241 20.115 0.264 1.00 70.96 ? 422 SER A N 1 ATOM 603 C CA . SER A 1 81 ? 25.693 20.017 0.414 1.00 69.81 ? 422 SER A CA 1 ATOM 604 C C . SER A 1 81 ? 26.084 20.896 1.622 1.00 68.47 ? 422 SER A C 1 ATOM 605 O O . SER A 1 81 ? 27.276 21.116 1.912 1.00 68.56 ? 422 SER A O 1 ATOM 606 C CB . SER A 1 81 ? 26.479 20.309 -0.887 1.00 70.37 ? 422 SER A CB 1 ATOM 607 O OG . SER A 1 81 ? 26.804 21.652 -1.059 1.00 71.44 ? 422 SER A OG 1 ATOM 608 N N . LEU A 1 82 ? 25.065 21.449 2.271 1.00 66.72 ? 423 LEU A N 1 ATOM 609 C CA . LEU A 1 82 ? 25.192 22.054 3.585 1.00 64.56 ? 423 LEU A CA 1 ATOM 610 C C . LEU A 1 82 ? 25.435 20.861 4.465 1.00 62.62 ? 423 LEU A C 1 ATOM 611 O O . LEU A 1 82 ? 24.643 19.950 4.501 1.00 63.46 ? 423 LEU A O 1 ATOM 612 C CB . LEU A 1 82 ? 23.891 22.752 3.991 1.00 65.00 ? 423 LEU A CB 1 ATOM 613 C CG . LEU A 1 82 ? 23.758 23.417 5.368 1.00 64.88 ? 423 LEU A CG 1 ATOM 614 C CD1 . LEU A 1 82 ? 23.222 24.813 5.231 1.00 64.87 ? 423 LEU A CD1 1 ATOM 615 C CD2 . LEU A 1 82 ? 22.849 22.645 6.289 1.00 64.48 ? 423 LEU A CD2 1 ATOM 616 N N . ASP A 1 83 ? 26.555 20.847 5.141 1.00 59.66 ? 424 ASP A N 1 ATOM 617 C CA . ASP A 1 83 ? 27.039 19.646 5.813 1.00 56.92 ? 424 ASP A CA 1 ATOM 618 C C . ASP A 1 83 ? 26.183 18.648 6.523 1.00 54.48 ? 424 ASP A C 1 ATOM 619 O O . ASP A 1 83 ? 25.161 18.979 7.085 1.00 54.10 ? 424 ASP A O 1 ATOM 620 C CB . ASP A 1 83 ? 28.237 20.005 6.710 1.00 57.12 ? 424 ASP A CB 1 ATOM 621 C CG . ASP A 1 83 ? 29.566 19.493 6.148 1.00 57.17 ? 424 ASP A CG 1 ATOM 622 O OD1 . ASP A 1 83 ? 29.775 19.606 4.920 1.00 56.78 ? 424 ASP A OD1 1 ATOM 623 O OD2 . ASP A 1 83 ? 30.402 19.005 6.945 1.00 57.75 ? 424 ASP A OD2 1 ATOM 624 N N . CYS A 1 84 ? 26.619 17.397 6.436 1.00 51.52 ? 425 CYS A N 1 ATOM 625 C CA . CYS A 1 84 ? 25.948 16.276 7.070 1.00 48.43 ? 425 CYS A CA 1 ATOM 626 C C . CYS A 1 84 ? 25.941 16.503 8.587 1.00 48.88 ? 425 CYS A C 1 ATOM 627 O O . CYS A 1 84 ? 24.982 16.180 9.288 1.00 49.25 ? 425 CYS A O 1 ATOM 628 C CB . CYS A 1 84 ? 26.735 15.004 6.805 1.00 44.64 ? 425 CYS A CB 1 ATOM 629 S SG . CYS A 1 84 ? 25.872 13.515 7.425 1.00 40.61 ? 425 CYS A SG 1 ATOM 630 N N . VAL A 1 85 ? 27.035 17.051 9.094 1.00 48.83 ? 426 VAL A N 1 ATOM 631 C CA . VAL A 1 85 ? 27.165 17.284 10.520 1.00 49.10 ? 426 VAL A CA 1 ATOM 632 C C . VAL A 1 85 ? 26.237 18.369 11.037 1.00 49.50 ? 426 VAL A C 1 ATOM 633 O O . VAL A 1 85 ? 25.823 18.338 12.199 1.00 49.35 ? 426 VAL A O 1 ATOM 634 C CB . VAL A 1 85 ? 28.633 17.661 10.869 1.00 49.27 ? 426 VAL A CB 1 ATOM 635 C CG1 . VAL A 1 85 ? 28.780 17.869 12.365 1.00 49.35 ? 426 VAL A CG1 1 ATOM 636 C CG2 . VAL A 1 85 ? 29.581 16.556 10.397 1.00 49.43 ? 426 VAL A CG2 1 ATOM 637 N N . LEU A 1 86 ? 25.872 19.289 10.148 1.00 49.85 ? 427 LEU A N 1 ATOM 638 C CA . LEU A 1 86 ? 25.024 20.419 10.499 1.00 50.09 ? 427 LEU A CA 1 ATOM 639 C C . LEU A 1 86 ? 23.637 20.323 9.894 1.00 50.03 ? 427 LEU A C 1 ATOM 640 O O . LEU A 1 86 ? 22.706 21.012 10.311 1.00 50.34 ? 427 LEU A O 1 ATOM 641 C CB . LEU A 1 86 ? 25.724 21.706 10.036 1.00 50.41 ? 427 LEU A CB 1 ATOM 642 C CG . LEU A 1 86 ? 27.239 21.840 10.326 1.00 50.67 ? 427 LEU A CG 1 ATOM 643 C CD1 . LEU A 1 86 ? 27.819 22.933 9.428 1.00 50.92 ? 427 LEU A CD1 1 ATOM 644 C CD2 . LEU A 1 86 ? 27.488 22.153 11.806 1.00 49.97 ? 427 LEU A CD2 1 ATOM 645 N N . ARG A 1 87 ? 23.515 19.466 8.893 1.00 50.48 ? 428 ARG A N 1 ATOM 646 C CA . ARG A 1 87 ? 22.243 19.275 8.222 1.00 50.76 ? 428 ARG A CA 1 ATOM 647 C C . ARG A 1 87 ? 21.280 18.576 9.177 1.00 50.16 ? 428 ARG A C 1 ATOM 648 O O . ARG A 1 87 ? 21.623 17.582 9.825 1.00 49.95 ? 428 ARG A O 1 ATOM 649 C CB . ARG A 1 87 ? 22.408 18.413 6.972 1.00 51.16 ? 428 ARG A CB 1 ATOM 650 C CG . ARG A 1 87 ? 21.129 18.300 6.145 1.00 52.33 ? 428 ARG A CG 1 ATOM 651 C CD . ARG A 1 87 ? 21.217 17.207 5.089 1.00 51.90 ? 428 ARG A CD 1 ATOM 652 N NE . ARG A 1 87 ? 21.023 15.867 5.638 1.00 52.10 ? 428 ARG A NE 1 ATOM 653 C CZ . ARG A 1 87 ? 21.880 14.865 5.480 1.00 52.65 ? 428 ARG A CZ 1 ATOM 654 N NH1 . ARG A 1 87 ? 21.622 13.676 6.012 1.00 52.17 ? 428 ARG A NH1 1 ATOM 655 N NH2 . ARG A 1 87 ? 23.012 15.061 4.815 1.00 52.17 ? 428 ARG A NH2 1 ATOM 656 N N . PRO A 1 88 ? 20.060 19.111 9.296 1.00 50.10 ? 429 PRO A N 1 ATOM 657 C CA . PRO A 1 88 ? 19.019 18.556 10.169 1.00 49.48 ? 429 PRO A CA 1 ATOM 658 C C . PRO A 1 88 ? 18.548 17.187 9.714 1.00 48.80 ? 429 PRO A C 1 ATOM 659 O O . PRO A 1 88 ? 18.244 17.001 8.532 1.00 49.43 ? 429 PRO A O 1 ATOM 660 C CB . PRO A 1 88 ? 17.881 19.577 10.088 1.00 49.70 ? 429 PRO A CB 1 ATOM 661 C CG . PRO A 1 88 ? 18.189 20.407 8.854 1.00 49.50 ? 429 PRO A CG 1 ATOM 662 C CD . PRO A 1 88 ? 19.686 20.443 8.791 1.00 49.47 ? 429 PRO A CD 1 ATOM 663 N N . THR A 1 89 ? 18.473 16.251 10.661 1.00 47.46 ? 430 THR A N 1 ATOM 664 C CA . THR A 1 89 ? 18.021 14.878 10.416 1.00 46.32 ? 430 THR A CA 1 ATOM 665 C C . THR A 1 89 ? 16.613 14.888 9.783 1.00 45.81 ? 430 THR A C 1 ATOM 666 O O . THR A 1 89 ? 15.858 15.858 9.904 1.00 45.25 ? 430 THR A O 1 ATOM 667 C CB . THR A 1 89 ? 17.984 14.077 11.747 1.00 46.39 ? 430 THR A CB 1 ATOM 668 O OG1 . THR A 1 89 ? 17.078 14.697 12.675 1.00 45.44 ? 430 THR A OG1 1 ATOM 669 C CG2 . THR A 1 89 ? 19.380 14.026 12.350 1.00 45.45 ? 430 THR A CG2 1 ATOM 670 N N . GLU A 1 90 ? 16.237 13.799 9.133 1.00 45.10 ? 431 GLU A N 1 ATOM 671 C CA . GLU A 1 90 ? 14.939 13.751 8.474 1.00 44.51 ? 431 GLU A CA 1 ATOM 672 C C . GLU A 1 90 ? 13.824 12.987 9.164 1.00 42.27 ? 431 GLU A C 1 ATOM 673 O O . GLU A 1 90 ? 12.657 13.395 9.101 1.00 42.48 ? 431 GLU A O 1 ATOM 674 C CB . GLU A 1 90 ? 15.115 13.175 7.048 1.00 45.77 ? 431 GLU A CB 1 ATOM 675 C CG . GLU A 1 90 ? 16.113 13.954 6.168 1.00 48.88 ? 431 GLU A CG 1 ATOM 676 C CD . GLU A 1 90 ? 15.873 13.848 4.664 1.00 51.22 ? 431 GLU A CD 1 ATOM 677 O OE1 . GLU A 1 90 ? 14.791 13.387 4.248 1.00 51.05 ? 431 GLU A OE1 1 ATOM 678 O OE2 . GLU A 1 90 ? 16.774 14.257 3.895 1.00 52.73 ? 431 GLU A OE2 1 ATOM 679 N N . GLY A 1 91 ? 14.204 11.926 9.869 1.00 39.58 ? 432 GLY A N 1 ATOM 680 C CA . GLY A 1 91 ? 13.227 11.080 10.519 1.00 36.08 ? 432 GLY A CA 1 ATOM 681 C C . GLY A 1 91 ? 13.098 9.941 9.493 1.00 34.15 ? 432 GLY A C 1 ATOM 682 O O . GLY A 1 91 ? 13.110 10.193 8.277 1.00 35.59 ? 432 GLY A O 1 ATOM 683 N N . TYR A 1 92 ? 13.016 8.685 9.923 1.00 31.53 ? 433 TYR A N 1 ATOM 684 C CA . TYR A 1 92 ? 12.880 7.599 8.956 1.00 27.72 ? 433 TYR A CA 1 ATOM 685 C C . TYR A 1 92 ? 11.414 7.138 8.930 1.00 26.25 ? 433 TYR A C 1 ATOM 686 O O . TYR A 1 92 ? 10.648 7.445 9.844 1.00 24.71 ? 433 TYR A O 1 ATOM 687 C CB . TYR A 1 92 ? 13.875 6.474 9.287 1.00 26.22 ? 433 TYR A CB 1 ATOM 688 C CG . TYR A 1 92 ? 13.806 5.916 10.680 1.00 26.67 ? 433 TYR A CG 1 ATOM 689 C CD1 . TYR A 1 92 ? 13.098 4.753 10.934 1.00 25.75 ? 433 TYR A CD1 1 ATOM 690 C CD2 . TYR A 1 92 ? 14.463 6.539 11.743 1.00 25.92 ? 433 TYR A CD2 1 ATOM 691 C CE1 . TYR A 1 92 ? 13.041 4.212 12.200 1.00 25.92 ? 433 TYR A CE1 1 ATOM 692 C CE2 . TYR A 1 92 ? 14.406 6.008 13.029 1.00 25.23 ? 433 TYR A CE2 1 ATOM 693 C CZ . TYR A 1 92 ? 13.691 4.839 13.247 1.00 26.06 ? 433 TYR A CZ 1 ATOM 694 O OH . TYR A 1 92 ? 13.596 4.284 14.504 1.00 25.55 ? 433 TYR A OH 1 ATOM 695 N N . LEU A 1 93 ? 11.015 6.441 7.867 1.00 24.23 ? 434 LEU A N 1 ATOM 696 C CA . LEU A 1 93 ? 9.623 6.008 7.720 1.00 23.33 ? 434 LEU A CA 1 ATOM 697 C C . LEU A 1 93 ? 9.335 4.647 8.323 1.00 22.75 ? 434 LEU A C 1 ATOM 698 O O . LEU A 1 93 ? 10.074 3.699 8.114 1.00 23.64 ? 434 LEU A O 1 ATOM 699 C CB . LEU A 1 93 ? 9.203 6.031 6.222 1.00 22.00 ? 434 LEU A CB 1 ATOM 700 C CG . LEU A 1 93 ? 9.434 7.312 5.373 1.00 21.54 ? 434 LEU A CG 1 ATOM 701 C CD1 . LEU A 1 93 ? 8.974 7.054 3.948 1.00 21.29 ? 434 LEU A CD1 1 ATOM 702 C CD2 . LEU A 1 93 ? 8.677 8.504 5.941 1.00 21.85 ? 434 LEU A CD2 1 ATOM 703 N N . ALA A 1 94 ? 8.270 4.554 9.105 1.00 21.92 ? 435 ALA A N 1 ATOM 704 C CA . ALA A 1 94 ? 7.927 3.281 9.712 1.00 20.98 ? 435 ALA A CA 1 ATOM 705 C C . ALA A 1 94 ? 6.838 2.677 8.844 1.00 20.96 ? 435 ALA A C 1 ATOM 706 O O . ALA A 1 94 ? 5.790 3.287 8.607 1.00 20.68 ? 435 ALA A O 1 ATOM 707 C CB . ALA A 1 94 ? 7.442 3.487 11.140 1.00 21.16 ? 435 ALA A CB 1 ATOM 708 N N . VAL A 1 95 ? 7.097 1.468 8.363 1.00 20.39 ? 436 VAL A N 1 ATOM 709 C CA . VAL A 1 95 ? 6.171 0.783 7.471 1.00 20.45 ? 436 VAL A CA 1 ATOM 710 C C . VAL A 1 95 ? 5.817 -0.624 7.927 1.00 20.51 ? 436 VAL A C 1 ATOM 711 O O . VAL A 1 95 ? 6.417 -1.152 8.863 1.00 20.54 ? 436 VAL A O 1 ATOM 712 C CB . VAL A 1 95 ? 6.785 0.665 6.003 1.00 20.46 ? 436 VAL A CB 1 ATOM 713 C CG1 . VAL A 1 95 ? 7.109 2.055 5.427 1.00 20.14 ? 436 VAL A CG1 1 ATOM 714 C CG2 . VAL A 1 95 ? 8.063 -0.209 6.030 1.00 18.31 ? 436 VAL A CG2 1 ATOM 715 N N . ALA A 1 96 ? 4.808 -1.200 7.273 1.00 20.35 ? 437 ALA A N 1 ATOM 716 C CA . ALA A 1 96 ? 4.362 -2.567 7.539 1.00 19.47 ? 437 ALA A CA 1 ATOM 717 C C . ALA A 1 96 ? 4.513 -3.217 6.166 1.00 19.17 ? 437 ALA A C 1 ATOM 718 O O . ALA A 1 96 ? 3.968 -2.734 5.171 1.00 18.17 ? 437 ALA A O 1 ATOM 719 C CB . ALA A 1 96 ? 2.922 -2.610 7.979 1.00 19.53 ? 437 ALA A CB 1 ATOM 720 N N . VAL A 1 97 ? 5.267 -4.309 6.121 1.00 19.59 ? 438 VAL A N 1 ATOM 721 C CA . VAL A 1 97 ? 5.539 -5.024 4.884 1.00 19.68 ? 438 VAL A CA 1 ATOM 722 C C . VAL A 1 97 ? 5.044 -6.454 4.869 1.00 21.09 ? 438 VAL A C 1 ATOM 723 O O . VAL A 1 97 ? 5.197 -7.191 5.836 1.00 20.88 ? 438 VAL A O 1 ATOM 724 C CB . VAL A 1 97 ? 7.066 -5.104 4.599 1.00 19.74 ? 438 VAL A CB 1 ATOM 725 C CG1 . VAL A 1 97 ? 7.314 -5.203 3.105 1.00 19.52 ? 438 VAL A CG1 1 ATOM 726 C CG2 . VAL A 1 97 ? 7.790 -3.932 5.233 1.00 19.34 ? 438 VAL A CG2 1 ATOM 727 N N . VAL A 1 98 ? 4.459 -6.834 3.739 1.00 22.50 ? 439 VAL A N 1 ATOM 728 C CA . VAL A 1 98 ? 3.956 -8.188 3.523 1.00 22.66 ? 439 VAL A CA 1 ATOM 729 C C . VAL A 1 98 ? 4.465 -8.679 2.172 1.00 23.30 ? 439 VAL A C 1 ATOM 730 O O . VAL A 1 98 ? 5.037 -7.920 1.382 1.00 22.78 ? 439 VAL A O 1 ATOM 731 C CB . VAL A 1 98 ? 2.394 -8.278 3.436 1.00 22.71 ? 439 VAL A CB 1 ATOM 732 C CG1 . VAL A 1 98 ? 1.765 -7.811 4.746 1.00 21.45 ? 439 VAL A CG1 1 ATOM 733 C CG2 . VAL A 1 98 ? 1.883 -7.453 2.231 1.00 23.55 ? 439 VAL A CG2 1 ATOM 734 N N . LYS A 1 99 ? 4.264 -9.967 1.953 1.00 24.54 ? 440 LYS A N 1 ATOM 735 C CA . LYS A 1 99 ? 4.537 -10.601 0.688 1.00 25.27 ? 440 LYS A CA 1 ATOM 736 C C . LYS A 1 99 ? 3.389 -10.338 -0.223 1.00 26.10 ? 440 LYS A C 1 ATOM 737 O O . LYS A 1 99 ? 2.273 -10.358 0.205 1.00 26.31 ? 440 LYS A O 1 ATOM 738 C CB . LYS A 1 99 ? 4.695 -12.087 0.879 1.00 23.50 ? 440 LYS A CB 1 ATOM 739 C CG . LYS A 1 99 ? 5.907 -12.444 1.598 1.00 23.33 ? 440 LYS A CG 1 ATOM 740 C CD . LYS A 1 99 ? 7.063 -12.585 0.679 1.00 21.71 ? 440 LYS A CD 1 ATOM 741 C CE . LYS A 1 99 ? 8.226 -13.217 1.350 1.00 20.95 ? 440 LYS A CE 1 ATOM 742 N NZ . LYS A 1 99 ? 8.310 -14.649 1.183 1.00 18.88 ? 440 LYS A NZ 1 ATOM 743 N N . LYS A 1 100 ? 3.667 -10.050 -1.481 1.00 27.13 ? 441 LYS A N 1 ATOM 744 C CA . LYS A 1 100 ? 2.607 -9.760 -2.455 1.00 28.39 ? 441 LYS A CA 1 ATOM 745 C C . LYS A 1 100 ? 1.724 -11.006 -2.672 1.00 29.31 ? 441 LYS A C 1 ATOM 746 O O . LYS A 1 100 ? 0.518 -10.886 -2.891 1.00 29.60 ? 441 LYS A O 1 ATOM 747 C CB . LYS A 1 100 ? 3.253 -9.257 -3.763 1.00 28.50 ? 441 LYS A CB 1 ATOM 748 C CG . LYS A 1 100 ? 2.383 -9.311 -5.005 1.00 29.26 ? 441 LYS A CG 1 ATOM 749 C CD . LYS A 1 100 ? 3.268 -9.076 -6.219 1.00 29.33 ? 441 LYS A CD 1 ATOM 750 C CE . LYS A 1 100 ? 2.651 -9.623 -7.484 1.00 30.96 ? 441 LYS A CE 1 ATOM 751 N NZ . LYS A 1 100 ? 1.788 -8.613 -8.144 1.00 32.01 ? 441 LYS A NZ 1 ATOM 752 N N . ALA A 1 101 ? 2.321 -12.192 -2.586 1.00 29.77 ? 442 ALA A N 1 ATOM 753 C CA . ALA A 1 101 ? 1.589 -13.447 -2.735 1.00 30.71 ? 442 ALA A CA 1 ATOM 754 C C . ALA A 1 101 ? 0.478 -13.590 -1.657 1.00 32.08 ? 442 ALA A C 1 ATOM 755 O O . ALA A 1 101 ? -0.515 -14.278 -1.878 1.00 33.43 ? 442 ALA A O 1 ATOM 756 C CB . ALA A 1 101 ? 2.551 -14.601 -2.607 1.00 31.13 ? 442 ALA A CB 1 ATOM 757 N N . ASN A 1 102 ? 0.644 -12.989 -0.475 1.00 33.37 ? 443 ASN A N 1 ATOM 758 C CA . ASN A 1 102 ? -0.381 -13.081 0.588 1.00 34.41 ? 443 ASN A CA 1 ATOM 759 C C . ASN A 1 102 ? -1.375 -11.987 0.139 1.00 34.84 ? 443 ASN A C 1 ATOM 760 O O . ASN A 1 102 ? -1.378 -10.863 0.653 1.00 35.71 ? 443 ASN A O 1 ATOM 761 C CB . ASN A 1 102 ? 0.263 -12.741 1.937 1.00 35.17 ? 443 ASN A CB 1 ATOM 762 C CG . ASN A 1 102 ? -0.421 -13.416 3.117 1.00 35.78 ? 443 ASN A CG 1 ATOM 763 O OD1 . ASN A 1 102 ? -1.507 -13.990 2.988 1.00 37.06 ? 443 ASN A OD1 1 ATOM 764 N ND2 . ASN A 1 102 ? 0.208 -13.335 4.282 1.00 35.49 ? 443 ASN A ND2 1 ATOM 765 N N . GLU A 1 103 ? -2.233 -12.366 -0.808 1.00 35.19 ? 444 GLU A N 1 ATOM 766 C CA . GLU A 1 103 ? -3.224 -11.489 -1.434 1.00 35.71 ? 444 GLU A CA 1 ATOM 767 C C . GLU A 1 103 ? -4.323 -10.756 -0.707 1.00 36.01 ? 444 GLU A C 1 ATOM 768 O O . GLU A 1 103 ? -4.577 -9.583 -0.985 1.00 35.47 ? 444 GLU A O 1 ATOM 769 C CB . GLU A 1 103 ? -3.830 -12.218 -2.647 1.00 36.15 ? 444 GLU A CB 1 ATOM 770 C CG . GLU A 1 103 ? -2.980 -12.163 -3.915 1.00 36.78 ? 444 GLU A CG 1 ATOM 771 C CD . GLU A 1 103 ? -3.512 -13.046 -5.019 1.00 38.56 ? 444 GLU A CD 1 ATOM 772 O OE1 . GLU A 1 103 ? -2.687 -13.778 -5.584 1.00 38.51 ? 444 GLU A OE1 1 ATOM 773 O OE2 . GLU A 1 103 ? -4.726 -13.005 -5.320 1.00 39.23 ? 444 GLU A OE2 1 ATOM 774 N N . GLY A 1 104 ? -4.977 -11.425 0.218 1.00 36.70 ? 445 GLY A N 1 ATOM 775 C CA . GLY A 1 104 ? -6.034 -10.745 0.920 1.00 36.91 ? 445 GLY A CA 1 ATOM 776 C C . GLY A 1 104 ? -5.621 -9.940 2.135 1.00 37.16 ? 445 GLY A C 1 ATOM 777 O O . GLY A 1 104 ? -6.472 -9.323 2.783 1.00 38.27 ? 445 GLY A O 1 ATOM 778 N N . LEU A 1 105 ? -4.327 -9.846 2.401 1.00 36.37 ? 446 LEU A N 1 ATOM 779 C CA . LEU A 1 105 ? -3.904 -9.118 3.582 1.00 35.25 ? 446 LEU A CA 1 ATOM 780 C C . LEU A 1 105 ? -3.759 -7.604 3.573 1.00 35.77 ? 446 LEU A C 1 ATOM 781 O O . LEU A 1 105 ? -2.995 -7.038 2.789 1.00 35.30 ? 446 LEU A O 1 ATOM 782 C CB . LEU A 1 105 ? -2.612 -9.759 4.127 1.00 33.91 ? 446 LEU A CB 1 ATOM 783 C CG . LEU A 1 105 ? -2.215 -9.450 5.582 1.00 31.14 ? 446 LEU A CG 1 ATOM 784 C CD1 . LEU A 1 105 ? -3.408 -9.633 6.516 1.00 31.04 ? 446 LEU A CD1 1 ATOM 785 C CD2 . LEU A 1 105 ? -1.089 -10.367 5.992 1.00 30.90 ? 446 LEU A CD2 1 ATOM 786 N N . THR A 1 106 ? -4.538 -6.964 4.443 1.00 35.17 ? 447 THR A N 1 ATOM 787 C CA . THR A 1 106 ? -4.495 -5.517 4.614 1.00 35.02 ? 447 THR A CA 1 ATOM 788 C C . THR A 1 106 ? -4.519 -5.207 6.119 1.00 35.22 ? 447 THR A C 1 ATOM 789 O O . THR A 1 106 ? -4.734 -6.088 6.954 1.00 36.07 ? 447 THR A O 1 ATOM 790 C CB . THR A 1 106 ? -5.715 -4.754 3.975 1.00 34.75 ? 447 THR A CB 1 ATOM 791 O OG1 . THR A 1 106 ? -6.927 -5.068 4.682 1.00 33.10 ? 447 THR A OG1 1 ATOM 792 C CG2 . THR A 1 106 ? -5.858 -5.109 2.511 1.00 34.82 ? 447 THR A CG2 1 ATOM 793 N N . TRP A 1 107 ? -4.273 -3.944 6.450 1.00 34.36 ? 448 TRP A N 1 ATOM 794 C CA . TRP A 1 107 ? -4.273 -3.453 7.826 1.00 33.82 ? 448 TRP A CA 1 ATOM 795 C C . TRP A 1 107 ? -5.553 -3.883 8.554 1.00 33.91 ? 448 TRP A C 1 ATOM 796 O O . TRP A 1 107 ? -5.529 -4.153 9.753 1.00 34.51 ? 448 TRP A O 1 ATOM 797 C CB . TRP A 1 107 ? -4.210 -1.924 7.814 1.00 34.35 ? 448 TRP A CB 1 ATOM 798 C CG . TRP A 1 107 ? -4.183 -1.295 9.176 1.00 34.34 ? 448 TRP A CG 1 ATOM 799 C CD1 . TRP A 1 107 ? -5.218 -0.682 9.827 1.00 34.51 ? 448 TRP A CD1 1 ATOM 800 C CD2 . TRP A 1 107 ? -3.061 -1.230 10.058 1.00 33.35 ? 448 TRP A CD2 1 ATOM 801 N NE1 . TRP A 1 107 ? -4.805 -0.236 11.059 1.00 33.62 ? 448 TRP A NE1 1 ATOM 802 C CE2 . TRP A 1 107 ? -3.485 -0.557 11.226 1.00 33.16 ? 448 TRP A CE2 1 ATOM 803 C CE3 . TRP A 1 107 ? -1.735 -1.671 9.975 1.00 32.59 ? 448 TRP A CE3 1 ATOM 804 C CZ2 . TRP A 1 107 ? -2.628 -0.321 12.309 1.00 32.61 ? 448 TRP A CZ2 1 ATOM 805 C CZ3 . TRP A 1 107 ? -0.881 -1.435 11.055 1.00 31.92 ? 448 TRP A CZ3 1 ATOM 806 C CH2 . TRP A 1 107 ? -1.334 -0.763 12.203 1.00 32.15 ? 448 TRP A CH2 1 ATOM 807 N N . ASN A 1 108 ? -6.670 -3.931 7.827 1.00 33.86 ? 449 ASN A N 1 ATOM 808 C CA . ASN A 1 108 ? -7.955 -4.307 8.411 1.00 33.59 ? 449 ASN A CA 1 ATOM 809 C C . ASN A 1 108 ? -8.121 -5.805 8.614 1.00 33.61 ? 449 ASN A C 1 ATOM 810 O O . ASN A 1 108 ? -9.095 -6.242 9.234 1.00 33.53 ? 449 ASN A O 1 ATOM 811 C CB . ASN A 1 108 ? -9.102 -3.778 7.554 1.00 35.01 ? 449 ASN A CB 1 ATOM 812 C CG . ASN A 1 108 ? -8.917 -2.328 7.186 1.00 35.29 ? 449 ASN A CG 1 ATOM 813 O OD1 . ASN A 1 108 ? -8.266 -1.577 7.912 1.00 36.96 ? 449 ASN A OD1 1 ATOM 814 N ND2 . ASN A 1 108 ? -9.498 -1.917 6.064 1.00 36.63 ? 449 ASN A ND2 1 ATOM 815 N N . SER A 1 109 ? -7.190 -6.603 8.097 1.00 32.92 ? 450 SER A N 1 ATOM 816 C CA . SER A 1 109 ? -7.302 -8.042 8.295 1.00 32.45 ? 450 SER A CA 1 ATOM 817 C C . SER A 1 109 ? -6.071 -8.659 8.988 1.00 33.11 ? 450 SER A C 1 ATOM 818 O O . SER A 1 109 ? -5.783 -9.844 8.817 1.00 34.14 ? 450 SER A O 1 ATOM 819 C CB . SER A 1 109 ? -7.591 -8.757 6.960 1.00 32.25 ? 450 SER A CB 1 ATOM 820 O OG . SER A 1 109 ? -6.444 -8.913 6.147 1.00 31.45 ? 450 SER A OG 1 ATOM 821 N N . LEU A 1 110 ? -5.355 -7.868 9.789 1.00 32.72 ? 451 LEU A N 1 ATOM 822 C CA . LEU A 1 110 ? -4.180 -8.383 10.498 1.00 31.73 ? 451 LEU A CA 1 ATOM 823 C C . LEU A 1 110 ? -4.526 -9.216 11.734 1.00 31.18 ? 451 LEU A C 1 ATOM 824 O O . LEU A 1 110 ? -3.676 -9.940 12.249 1.00 29.97 ? 451 LEU A O 1 ATOM 825 C CB . LEU A 1 110 ? -3.223 -7.243 10.894 1.00 30.95 ? 451 LEU A CB 1 ATOM 826 C CG . LEU A 1 110 ? -2.139 -6.851 9.877 1.00 30.85 ? 451 LEU A CG 1 ATOM 827 C CD1 . LEU A 1 110 ? -1.441 -5.581 10.331 1.00 31.65 ? 451 LEU A CD1 1 ATOM 828 C CD2 . LEU A 1 110 ? -1.123 -7.969 9.745 1.00 30.81 ? 451 LEU A CD2 1 ATOM 829 N N . LYS A 1 111 ? -5.759 -9.141 12.214 1.00 30.84 ? 452 LYS A N 1 ATOM 830 C CA . LYS A 1 111 ? -6.092 -9.949 13.378 1.00 32.05 ? 452 LYS A CA 1 ATOM 831 C C . LYS A 1 111 ? -5.768 -11.411 13.058 1.00 32.95 ? 452 LYS A C 1 ATOM 832 O O . LYS A 1 111 ? -6.047 -11.911 11.961 1.00 32.34 ? 452 LYS A O 1 ATOM 833 C CB . LYS A 1 111 ? -7.587 -9.842 13.740 1.00 32.57 ? 452 LYS A CB 1 ATOM 834 C CG . LYS A 1 111 ? -7.885 -9.688 15.255 1.00 32.40 ? 452 LYS A CG 1 ATOM 835 C CD . LYS A 1 111 ? -7.752 -10.999 16.042 1.00 33.23 ? 452 LYS A CD 1 ATOM 836 C CE . LYS A 1 111 ? -7.422 -10.738 17.526 1.00 34.14 ? 452 LYS A CE 1 ATOM 837 N NZ . LYS A 1 111 ? -7.226 -11.977 18.353 1.00 34.21 ? 452 LYS A NZ 1 ATOM 838 N N . ASP A 1 112 ? -5.124 -12.059 14.024 1.00 33.13 ? 453 ASP A N 1 ATOM 839 C CA . ASP A 1 112 ? -4.754 -13.460 13.953 1.00 33.25 ? 453 ASP A CA 1 ATOM 840 C C . ASP A 1 112 ? -3.694 -13.901 12.966 1.00 32.62 ? 453 ASP A C 1 ATOM 841 O O . ASP A 1 112 ? -3.507 -15.099 12.746 1.00 32.54 ? 453 ASP A O 1 ATOM 842 C CB . ASP A 1 112 ? -6.039 -14.294 13.784 1.00 35.56 ? 453 ASP A CB 1 ATOM 843 C CG . ASP A 1 112 ? -6.762 -14.554 15.122 1.00 38.17 ? 453 ASP A CG 1 ATOM 844 O OD1 . ASP A 1 112 ? -6.414 -13.919 16.142 1.00 39.37 ? 453 ASP A OD1 1 ATOM 845 O OD2 . ASP A 1 112 ? -7.688 -15.395 15.142 1.00 40.58 ? 453 ASP A OD2 1 ATOM 846 N N . LYS A 1 113 ? -2.965 -12.966 12.417 1.00 30.94 ? 454 LYS A N 1 ATOM 847 C CA . LYS A 1 113 ? -1.909 -13.321 11.524 1.00 29.65 ? 454 LYS A CA 1 ATOM 848 C C . LYS A 1 113 ? -0.618 -13.467 12.272 1.00 28.80 ? 454 LYS A C 1 ATOM 849 O O . LYS A 1 113 ? -0.575 -13.321 13.435 1.00 28.65 ? 454 LYS A O 1 ATOM 850 C CB . LYS A 1 113 ? -1.791 -12.299 10.407 1.00 30.65 ? 454 LYS A CB 1 ATOM 851 C CG . LYS A 1 113 ? -2.875 -12.343 9.375 1.00 29.44 ? 454 LYS A CG 1 ATOM 852 C CD . LYS A 1 113 ? -2.838 -13.589 8.578 1.00 29.21 ? 454 LYS A CD 1 ATOM 853 C CE . LYS A 1 113 ? -4.161 -14.267 8.589 1.00 29.55 ? 454 LYS A CE 1 ATOM 854 N NZ . LYS A 1 113 ? -5.195 -13.267 8.616 1.00 29.80 ? 454 LYS A NZ 1 ATOM 855 N N . LYS A 1 114 ? 0.436 -13.799 11.575 1.00 28.29 ? 455 LYS A N 1 ATOM 856 C CA . LYS A 1 114 ? 1.743 -13.915 12.173 1.00 27.54 ? 455 LYS A CA 1 ATOM 857 C C . LYS A 1 114 ? 2.652 -12.736 11.920 1.00 26.93 ? 455 LYS A C 1 ATOM 858 O O . LYS A 1 114 ? 2.802 -12.307 10.832 1.00 25.61 ? 455 LYS A O 1 ATOM 859 C CB . LYS A 1 114 ? 2.375 -15.247 11.822 1.00 28.38 ? 455 LYS A CB 1 ATOM 860 C CG . LYS A 1 114 ? 1.572 -16.348 12.373 1.00 30.41 ? 455 LYS A CG 1 ATOM 861 C CD . LYS A 1 114 ? 2.174 -17.658 12.163 1.00 33.86 ? 455 LYS A CD 1 ATOM 862 C CE . LYS A 1 114 ? 1.814 -18.281 10.882 1.00 34.69 ? 455 LYS A CE 1 ATOM 863 N NZ . LYS A 1 114 ? 2.990 -18.957 10.345 1.00 36.97 ? 455 LYS A NZ 1 ATOM 864 N N . SER A 1 115 ? 3.258 -12.221 12.981 1.00 25.88 ? 456 SER A N 1 ATOM 865 C CA . SER A 1 115 ? 4.044 -10.988 12.867 1.00 24.73 ? 456 SER A CA 1 ATOM 866 C C . SER A 1 115 ? 5.531 -11.024 13.220 1.00 23.81 ? 456 SER A C 1 ATOM 867 O O . SER A 1 115 ? 5.970 -11.887 13.960 1.00 24.84 ? 456 SER A O 1 ATOM 868 C CB . SER A 1 115 ? 3.356 -9.911 13.709 1.00 24.05 ? 456 SER A CB 1 ATOM 869 O OG . SER A 1 115 ? 3.548 -10.146 15.096 1.00 22.99 ? 456 SER A OG 1 ATOM 870 N N . CYS A 1 116 ? 6.287 -10.064 12.689 1.00 22.78 ? 457 CYS A N 1 ATOM 871 C CA . CYS A 1 116 ? 7.724 -9.976 12.923 1.00 21.04 ? 457 CYS A CA 1 ATOM 872 C C . CYS A 1 116 ? 8.096 -8.575 13.357 1.00 20.59 ? 457 CYS A C 1 ATOM 873 O O . CYS A 1 116 ? 7.955 -7.619 12.592 1.00 19.91 ? 457 CYS A O 1 ATOM 874 C CB . CYS A 1 116 ? 8.483 -10.269 11.645 1.00 21.41 ? 457 CYS A CB 1 ATOM 875 S SG . CYS A 1 116 ? 8.079 -11.785 10.716 1.00 20.48 ? 457 CYS A SG 1 ATOM 876 N N . HIS A 1 117 ? 8.597 -8.464 14.577 1.00 20.05 ? 458 HIS A N 1 ATOM 877 C CA . HIS A 1 117 ? 8.982 -7.179 15.124 1.00 18.27 ? 458 HIS A CA 1 ATOM 878 C C . HIS A 1 117 ? 10.502 -7.099 15.334 1.00 18.43 ? 458 HIS A C 1 ATOM 879 O O . HIS A 1 117 ? 11.153 -8.097 15.677 1.00 17.26 ? 458 HIS A O 1 ATOM 880 C CB . HIS A 1 117 ? 8.251 -6.970 16.462 1.00 17.38 ? 458 HIS A CB 1 ATOM 881 C CG . HIS A 1 117 ? 6.765 -7.195 16.402 1.00 16.16 ? 458 HIS A CG 1 ATOM 882 N ND1 . HIS A 1 117 ? 5.861 -6.175 16.206 1.00 15.15 ? 458 HIS A ND1 1 ATOM 883 C CD2 . HIS A 1 117 ? 6.029 -8.324 16.545 1.00 16.31 ? 458 HIS A CD2 1 ATOM 884 C CE1 . HIS A 1 117 ? 4.632 -6.664 16.237 1.00 14.26 ? 458 HIS A CE1 1 ATOM 885 N NE2 . HIS A 1 117 ? 4.707 -7.965 16.441 1.00 14.21 ? 458 HIS A NE2 1 ATOM 886 N N . THR A 1 118 ? 11.054 -5.912 15.087 1.00 17.62 ? 459 THR A N 1 ATOM 887 C CA . THR A 1 118 ? 12.480 -5.650 15.266 1.00 17.26 ? 459 THR A CA 1 ATOM 888 C C . THR A 1 118 ? 12.832 -6.067 16.713 1.00 19.29 ? 459 THR A C 1 ATOM 889 O O . THR A 1 118 ? 13.734 -6.871 16.929 1.00 20.45 ? 459 THR A O 1 ATOM 890 C CB . THR A 1 118 ? 12.782 -4.123 15.056 1.00 16.61 ? 459 THR A CB 1 ATOM 891 O OG1 . THR A 1 118 ? 11.940 -3.338 15.916 1.00 15.59 ? 459 THR A OG1 1 ATOM 892 C CG2 . THR A 1 118 ? 12.522 -3.722 13.609 1.00 14.35 ? 459 THR A CG2 1 ATOM 893 N N . ALA A 1 119 ? 12.086 -5.511 17.677 1.00 19.36 ? 460 ALA A N 1 ATOM 894 C CA . ALA A 1 119 ? 12.213 -5.759 19.128 1.00 19.52 ? 460 ALA A CA 1 ATOM 895 C C . ALA A 1 119 ? 11.169 -4.963 19.926 1.00 19.99 ? 460 ALA A C 1 ATOM 896 O O . ALA A 1 119 ? 10.745 -3.886 19.506 1.00 19.70 ? 460 ALA A O 1 ATOM 897 C CB . ALA A 1 119 ? 13.602 -5.366 19.614 1.00 16.87 ? 460 ALA A CB 1 ATOM 898 N N . VAL A 1 120 ? 10.759 -5.504 21.068 1.00 19.62 ? 461 VAL A N 1 ATOM 899 C CA . VAL A 1 120 ? 9.794 -4.851 21.944 1.00 19.14 ? 461 VAL A CA 1 ATOM 900 C C . VAL A 1 120 ? 10.431 -3.508 22.344 1.00 19.24 ? 461 VAL A C 1 ATOM 901 O O . VAL A 1 120 ? 11.642 -3.426 22.535 1.00 20.21 ? 461 VAL A O 1 ATOM 902 C CB . VAL A 1 120 ? 9.547 -5.755 23.202 1.00 19.21 ? 461 VAL A CB 1 ATOM 903 C CG1 . VAL A 1 120 ? 8.846 -4.991 24.319 1.00 19.11 ? 461 VAL A CG1 1 ATOM 904 C CG2 . VAL A 1 120 ? 8.707 -6.952 22.778 1.00 19.91 ? 461 VAL A CG2 1 ATOM 905 N N . ASP A 1 121 ? 9.620 -2.456 22.425 1.00 20.45 ? 462 ASP A N 1 ATOM 906 C CA . ASP A 1 121 ? 10.080 -1.124 22.804 1.00 21.12 ? 462 ASP A CA 1 ATOM 907 C C . ASP A 1 121 ? 10.751 -0.272 21.756 1.00 20.88 ? 462 ASP A C 1 ATOM 908 O O . ASP A 1 121 ? 11.244 0.820 22.066 1.00 21.64 ? 462 ASP A O 1 ATOM 909 C CB . ASP A 1 121 ? 10.993 -1.205 24.026 1.00 22.84 ? 462 ASP A CB 1 ATOM 910 C CG . ASP A 1 121 ? 10.218 -1.346 25.300 1.00 23.78 ? 462 ASP A CG 1 ATOM 911 O OD1 . ASP A 1 121 ? 9.001 -1.074 25.269 1.00 24.84 ? 462 ASP A OD1 1 ATOM 912 O OD2 . ASP A 1 121 ? 10.820 -1.704 26.331 1.00 27.02 ? 462 ASP A OD2 1 ATOM 913 N N . ARG A 1 122 ? 10.801 -0.758 20.525 1.00 20.61 ? 463 ARG A N 1 ATOM 914 C CA . ARG A 1 122 ? 11.405 0.050 19.491 1.00 20.02 ? 463 ARG A CA 1 ATOM 915 C C . ARG A 1 122 ? 10.324 0.784 18.728 1.00 19.89 ? 463 ARG A C 1 ATOM 916 O O . ARG A 1 122 ? 9.148 0.418 18.777 1.00 20.74 ? 463 ARG A O 1 ATOM 917 C CB . ARG A 1 122 ? 12.330 -0.802 18.622 1.00 19.40 ? 463 ARG A CB 1 ATOM 918 C CG . ARG A 1 122 ? 13.660 -0.966 19.350 1.00 19.12 ? 463 ARG A CG 1 ATOM 919 C CD . ARG A 1 122 ? 14.561 -2.003 18.739 1.00 17.15 ? 463 ARG A CD 1 ATOM 920 N NE . ARG A 1 122 ? 15.047 -1.584 17.439 1.00 18.43 ? 463 ARG A NE 1 ATOM 921 C CZ . ARG A 1 122 ? 16.043 -2.161 16.781 1.00 18.60 ? 463 ARG A CZ 1 ATOM 922 N NH1 . ARG A 1 122 ? 16.685 -3.203 17.300 1.00 17.13 ? 463 ARG A NH1 1 ATOM 923 N NH2 . ARG A 1 122 ? 16.390 -1.687 15.593 1.00 17.13 ? 463 ARG A NH2 1 ATOM 924 N N . THR A 1 123 ? 10.716 1.849 18.050 1.00 20.49 ? 464 THR A N 1 ATOM 925 C CA . THR A 1 123 ? 9.762 2.679 17.333 1.00 21.30 ? 464 THR A CA 1 ATOM 926 C C . THR A 1 123 ? 8.971 2.013 16.211 1.00 21.78 ? 464 THR A C 1 ATOM 927 O O . THR A 1 123 ? 7.756 1.837 16.323 1.00 21.20 ? 464 THR A O 1 ATOM 928 C CB . THR A 1 123 ? 10.476 3.997 16.825 1.00 21.63 ? 464 THR A CB 1 ATOM 929 O OG1 . THR A 1 123 ? 11.118 4.662 17.933 1.00 21.42 ? 464 THR A OG1 1 ATOM 930 C CG2 . THR A 1 123 ? 9.458 4.959 16.209 1.00 21.44 ? 464 THR A CG2 1 ATOM 931 N N . ALA A 1 124 ? 9.651 1.610 15.150 1.00 21.04 ? 465 ALA A N 1 ATOM 932 C CA . ALA A 1 124 ? 8.964 0.973 14.038 1.00 21.87 ? 465 ALA A CA 1 ATOM 933 C C . ALA A 1 124 ? 8.550 -0.472 14.317 1.00 21.76 ? 465 ALA A C 1 ATOM 934 O O . ALA A 1 124 ? 7.484 -0.917 13.908 1.00 21.40 ? 465 ALA A O 1 ATOM 935 C CB . ALA A 1 124 ? 9.849 1.048 12.769 1.00 21.68 ? 465 ALA A CB 1 ATOM 936 N N . GLY A 1 125 ? 9.376 -1.193 15.051 1.00 21.80 ? 466 GLY A N 1 ATOM 937 C CA . GLY A 1 125 ? 9.040 -2.574 15.319 1.00 21.44 ? 466 GLY A CA 1 ATOM 938 C C . GLY A 1 125 ? 7.979 -2.824 16.363 1.00 21.61 ? 466 GLY A C 1 ATOM 939 O O . GLY A 1 125 ? 7.324 -3.866 16.347 1.00 21.00 ? 466 GLY A O 1 ATOM 940 N N . TRP A 1 126 ? 7.722 -1.826 17.193 1.00 21.65 ? 467 TRP A N 1 ATOM 941 C CA . TRP A 1 126 ? 6.765 -2.013 18.255 1.00 21.51 ? 467 TRP A CA 1 ATOM 942 C C . TRP A 1 126 ? 5.823 -0.876 18.628 1.00 21.13 ? 467 TRP A C 1 ATOM 943 O O . TRP A 1 126 ? 4.609 -0.974 18.462 1.00 19.45 ? 467 TRP A O 1 ATOM 944 C CB . TRP A 1 126 ? 7.577 -2.416 19.479 1.00 21.48 ? 467 TRP A CB 1 ATOM 945 C CG . TRP A 1 126 ? 6.758 -2.807 20.629 1.00 20.68 ? 467 TRP A CG 1 ATOM 946 C CD1 . TRP A 1 126 ? 6.398 -2.030 21.684 1.00 19.28 ? 467 TRP A CD1 1 ATOM 947 C CD2 . TRP A 1 126 ? 6.106 -4.064 20.809 1.00 20.55 ? 467 TRP A CD2 1 ATOM 948 N NE1 . TRP A 1 126 ? 5.552 -2.720 22.512 1.00 20.99 ? 467 TRP A NE1 1 ATOM 949 C CE2 . TRP A 1 126 ? 5.354 -3.973 22.000 1.00 19.63 ? 467 TRP A CE2 1 ATOM 950 C CE3 . TRP A 1 126 ? 6.079 -5.261 20.074 1.00 19.96 ? 467 TRP A CE3 1 ATOM 951 C CZ2 . TRP A 1 126 ? 4.580 -5.032 22.482 1.00 19.86 ? 467 TRP A CZ2 1 ATOM 952 C CZ3 . TRP A 1 126 ? 5.309 -6.321 20.553 1.00 20.31 ? 467 TRP A CZ3 1 ATOM 953 C CH2 . TRP A 1 126 ? 4.569 -6.197 21.750 1.00 20.75 ? 467 TRP A CH2 1 ATOM 954 N N . ASN A 1 127 ? 6.405 0.200 19.144 1.00 21.65 ? 468 ASN A N 1 ATOM 955 C CA . ASN A 1 127 ? 5.628 1.349 19.587 1.00 23.07 ? 468 ASN A CA 1 ATOM 956 C C . ASN A 1 127 ? 4.681 1.955 18.566 1.00 23.90 ? 468 ASN A C 1 ATOM 957 O O . ASN A 1 127 ? 3.537 2.243 18.910 1.00 24.24 ? 468 ASN A O 1 ATOM 958 C CB . ASN A 1 127 ? 6.576 2.391 20.188 1.00 22.53 ? 468 ASN A CB 1 ATOM 959 C CG . ASN A 1 127 ? 7.356 1.821 21.373 1.00 22.49 ? 468 ASN A CG 1 ATOM 960 O OD1 . ASN A 1 127 ? 7.078 0.713 21.814 1.00 20.37 ? 468 ASN A OD1 1 ATOM 961 N ND2 . ASN A 1 127 ? 8.306 2.578 21.901 1.00 23.03 ? 468 ASN A ND2 1 ATOM 962 N N . ILE A 1 128 ? 5.118 2.130 17.315 1.00 25.20 ? 469 ILE A N 1 ATOM 963 C CA . ILE A 1 128 ? 4.220 2.699 16.296 1.00 25.57 ? 469 ILE A CA 1 ATOM 964 C C . ILE A 1 128 ? 3.088 1.690 15.984 1.00 24.97 ? 469 ILE A C 1 ATOM 965 O O . ILE A 1 128 ? 1.935 1.944 16.331 1.00 24.62 ? 469 ILE A O 1 ATOM 966 C CB . ILE A 1 128 ? 5.003 3.139 14.969 1.00 26.87 ? 469 ILE A CB 1 ATOM 967 C CG1 . ILE A 1 128 ? 5.572 4.573 15.132 1.00 28.89 ? 469 ILE A CG1 1 ATOM 968 C CG2 . ILE A 1 128 ? 4.088 3.155 13.764 1.00 23.46 ? 469 ILE A CG2 1 ATOM 969 C CD1 . ILE A 1 128 ? 4.556 5.662 15.561 1.00 32.26 ? 469 ILE A CD1 1 ATOM 970 N N . PRO A 1 129 ? 3.400 0.514 15.394 1.00 25.47 ? 470 PRO A N 1 ATOM 971 C CA . PRO A 1 129 ? 2.344 -0.469 15.083 1.00 25.31 ? 470 PRO A CA 1 ATOM 972 C C . PRO A 1 129 ? 1.406 -0.968 16.182 1.00 25.31 ? 470 PRO A C 1 ATOM 973 O O . PRO A 1 129 ? 0.221 -1.189 15.923 1.00 26.14 ? 470 PRO A O 1 ATOM 974 C CB . PRO A 1 129 ? 3.105 -1.605 14.414 1.00 25.69 ? 470 PRO A CB 1 ATOM 975 C CG . PRO A 1 129 ? 4.416 -1.596 15.132 1.00 25.64 ? 470 PRO A CG 1 ATOM 976 C CD . PRO A 1 129 ? 4.736 -0.113 15.317 1.00 25.71 ? 470 PRO A CD 1 ATOM 977 N N . MET A 1 130 ? 1.921 -1.160 17.392 1.00 25.19 ? 471 MET A N 1 ATOM 978 C CA . MET A 1 130 ? 1.083 -1.636 18.491 1.00 25.82 ? 471 MET A CA 1 ATOM 979 C C . MET A 1 130 ? 0.264 -0.503 19.113 1.00 25.37 ? 471 MET A C 1 ATOM 980 O O . MET A 1 130 ? -0.832 -0.736 19.624 1.00 25.99 ? 471 MET A O 1 ATOM 981 C CB . MET A 1 130 ? 1.944 -2.336 19.550 1.00 26.41 ? 471 MET A CB 1 ATOM 982 C CG . MET A 1 130 ? 2.610 -3.621 19.057 1.00 28.93 ? 471 MET A CG 1 ATOM 983 S SD . MET A 1 130 ? 1.474 -4.955 18.595 1.00 30.57 ? 471 MET A SD 1 ATOM 984 C CE . MET A 1 130 ? 0.348 -4.877 19.965 1.00 33.15 ? 471 MET A CE 1 ATOM 985 N N . GLY A 1 131 ? 0.815 0.709 19.084 1.00 24.57 ? 472 GLY A N 1 ATOM 986 C CA . GLY A 1 131 ? 0.103 1.866 19.599 1.00 24.53 ? 472 GLY A CA 1 ATOM 987 C C . GLY A 1 131 ? -1.149 2.014 18.740 1.00 26.04 ? 472 GLY A C 1 ATOM 988 O O . GLY A 1 131 ? -2.252 2.178 19.261 1.00 25.56 ? 472 GLY A O 1 ATOM 989 N N . LEU A 1 132 ? -0.994 1.948 17.416 1.00 27.23 ? 473 LEU A N 1 ATOM 990 C CA . LEU A 1 132 ? -2.137 2.055 16.507 1.00 27.99 ? 473 LEU A CA 1 ATOM 991 C C . LEU A 1 132 ? -3.139 0.918 16.774 1.00 29.13 ? 473 LEU A C 1 ATOM 992 O O . LEU A 1 132 ? -4.338 1.174 16.884 1.00 30.11 ? 473 LEU A O 1 ATOM 993 C CB . LEU A 1 132 ? -1.672 2.001 15.034 1.00 26.55 ? 473 LEU A CB 1 ATOM 994 C CG . LEU A 1 132 ? -0.870 3.210 14.499 1.00 26.95 ? 473 LEU A CG 1 ATOM 995 C CD1 . LEU A 1 132 ? -0.235 2.867 13.156 1.00 25.87 ? 473 LEU A CD1 1 ATOM 996 C CD2 . LEU A 1 132 ? -1.783 4.420 14.357 1.00 26.69 ? 473 LEU A CD2 1 ATOM 997 N N . ILE A 1 133 ? -2.649 -0.320 16.914 1.00 29.08 ? 474 ILE A N 1 ATOM 998 C CA . ILE A 1 133 ? -3.520 -1.475 17.150 1.00 30.65 ? 474 ILE A CA 1 ATOM 999 C C . ILE A 1 133 ? -4.306 -1.417 18.449 1.00 31.72 ? 474 ILE A C 1 ATOM 1000 O O . ILE A 1 133 ? -5.455 -1.856 18.482 1.00 32.73 ? 474 ILE A O 1 ATOM 1001 C CB . ILE A 1 133 ? -2.734 -2.823 17.046 1.00 29.92 ? 474 ILE A CB 1 ATOM 1002 C CG1 . ILE A 1 133 ? -2.266 -3.041 15.595 1.00 29.55 ? 474 ILE A CG1 1 ATOM 1003 C CG2 . ILE A 1 133 ? -3.647 -3.977 17.418 1.00 29.30 ? 474 ILE A CG2 1 ATOM 1004 C CD1 . ILE A 1 133 ? -1.176 -4.095 15.446 1.00 30.05 ? 474 ILE A CD1 1 ATOM 1005 N N . VAL A 1 134 ? -3.706 -0.902 19.517 1.00 32.62 ? 475 VAL A N 1 ATOM 1006 C CA . VAL A 1 134 ? -4.438 -0.772 20.772 1.00 32.80 ? 475 VAL A CA 1 ATOM 1007 C C . VAL A 1 134 ? -5.527 0.285 20.496 1.00 34.19 ? 475 VAL A C 1 ATOM 1008 O O . VAL A 1 134 ? -6.711 0.040 20.715 1.00 32.87 ? 475 VAL A O 1 ATOM 1009 C CB . VAL A 1 134 ? -3.522 -0.252 21.935 1.00 32.32 ? 475 VAL A CB 1 ATOM 1010 C CG1 . VAL A 1 134 ? -4.370 0.201 23.133 1.00 30.97 ? 475 VAL A CG1 1 ATOM 1011 C CG2 . VAL A 1 134 ? -2.590 -1.358 22.377 1.00 31.79 ? 475 VAL A CG2 1 ATOM 1012 N N . ASN A 1 135 ? -5.129 1.429 19.963 1.00 35.64 ? 476 ASN A N 1 ATOM 1013 C CA . ASN A 1 135 ? -6.038 2.536 19.718 1.00 36.78 ? 476 ASN A CA 1 ATOM 1014 C C . ASN A 1 135 ? -7.292 2.113 18.981 1.00 37.75 ? 476 ASN A C 1 ATOM 1015 O O . ASN A 1 135 ? -8.378 2.459 19.376 1.00 37.91 ? 476 ASN A O 1 ATOM 1016 C CB . ASN A 1 135 ? -5.331 3.737 19.043 1.00 37.07 ? 476 ASN A CB 1 ATOM 1017 C CG . ASN A 1 135 ? -4.635 4.656 20.029 1.00 38.25 ? 476 ASN A CG 1 ATOM 1018 O OD1 . ASN A 1 135 ? -4.604 4.373 21.183 1.00 36.09 ? 476 ASN A OD1 1 ATOM 1019 N ND2 . ASN A 1 135 ? -4.076 5.752 19.560 1.00 39.41 ? 476 ASN A ND2 1 ATOM 1020 N N . GLN A 1 136 ? -7.115 1.355 17.910 1.00 38.78 ? 477 GLN A N 1 ATOM 1021 C CA . GLN A 1 136 ? -8.191 0.833 17.099 1.00 37.92 ? 477 GLN A CA 1 ATOM 1022 C C . GLN A 1 136 ? -9.008 -0.273 17.705 1.00 38.23 ? 477 GLN A C 1 ATOM 1023 O O . GLN A 1 136 ? -10.175 -0.438 17.355 1.00 38.24 ? 477 GLN A O 1 ATOM 1024 C CB . GLN A 1 136 ? -7.639 0.371 15.758 1.00 37.55 ? 477 GLN A CB 1 ATOM 1025 C CG . GLN A 1 136 ? -7.125 1.494 14.897 1.00 37.82 ? 477 GLN A CG 1 ATOM 1026 C CD . GLN A 1 136 ? -6.518 0.984 13.618 1.00 38.26 ? 477 GLN A CD 1 ATOM 1027 O OE1 . GLN A 1 136 ? -6.424 -0.223 13.408 1.00 40.59 ? 477 GLN A OE1 1 ATOM 1028 N NE2 . GLN A 1 136 ? -6.092 1.896 12.756 1.00 37.84 ? 477 GLN A NE2 1 ATOM 1029 N N . THR A 1 137 ? -8.428 -1.036 18.615 1.00 38.67 ? 478 THR A N 1 ATOM 1030 C CA . THR A 1 137 ? -9.193 -2.119 19.214 1.00 38.37 ? 478 THR A CA 1 ATOM 1031 C C . THR A 1 137 ? -9.753 -1.754 20.582 1.00 39.62 ? 478 THR A C 1 ATOM 1032 O O . THR A 1 137 ? -10.458 -2.559 21.193 1.00 40.43 ? 478 THR A O 1 ATOM 1033 C CB . THR A 1 137 ? -8.320 -3.413 19.381 1.00 37.72 ? 478 THR A CB 1 ATOM 1034 O OG1 . THR A 1 137 ? -7.220 -3.152 20.273 1.00 38.67 ? 478 THR A OG1 1 ATOM 1035 C CG2 . THR A 1 137 ? -7.778 -3.890 18.025 1.00 36.79 ? 478 THR A CG2 1 ATOM 1036 N N . GLY A 1 138 ? -9.478 -0.528 21.030 1.00 40.43 ? 479 GLY A N 1 ATOM 1037 C CA . GLY A 1 138 ? -9.959 -0.083 22.326 1.00 41.23 ? 479 GLY A CA 1 ATOM 1038 C C . GLY A 1 138 ? -9.740 -1.192 23.345 1.00 42.29 ? 479 GLY A C 1 ATOM 1039 O O . GLY A 1 138 ? -10.624 -1.482 24.148 1.00 43.04 ? 479 GLY A O 1 ATOM 1040 N N . SER A 1 139 ? -8.575 -1.837 23.295 1.00 42.88 ? 480 SER A N 1 ATOM 1041 C CA . SER A 1 139 ? -8.249 -2.931 24.208 1.00 43.79 ? 480 SER A CA 1 ATOM 1042 C C . SER A 1 139 ? -6.740 -3.070 24.348 1.00 44.73 ? 480 SER A C 1 ATOM 1043 O O . SER A 1 139 ? -5.997 -2.967 23.368 1.00 45.47 ? 480 SER A O 1 ATOM 1044 C CB . SER A 1 139 ? -8.826 -4.252 23.690 1.00 43.36 ? 480 SER A CB 1 ATOM 1045 O OG . SER A 1 139 ? -8.431 -5.329 24.522 1.00 43.46 ? 480 SER A OG 1 ATOM 1046 N N . CYS A 1 140 ? -6.294 -3.299 25.574 1.00 45.00 ? 481 CYS A N 1 ATOM 1047 C CA . CYS A 1 140 ? -4.878 -3.447 25.848 1.00 45.88 ? 481 CYS A CA 1 ATOM 1048 C C . CYS A 1 140 ? -4.395 -4.888 25.585 1.00 46.33 ? 481 CYS A C 1 ATOM 1049 O O . CYS A 1 140 ? -3.197 -5.154 25.644 1.00 46.20 ? 481 CYS A O 1 ATOM 1050 C CB . CYS A 1 140 ? -4.593 -3.059 27.305 1.00 46.50 ? 481 CYS A CB 1 ATOM 1051 S SG . CYS A 1 140 ? -4.492 -1.289 27.733 1.00 46.87 ? 481 CYS A SG 1 ATOM 1052 N N . ALA A 1 141 ? -5.312 -5.801 25.257 1.00 46.60 ? 482 ALA A N 1 ATOM 1053 C CA . ALA A 1 141 ? -4.968 -7.213 25.005 1.00 46.79 ? 482 ALA A CA 1 ATOM 1054 C C . ALA A 1 141 ? -4.161 -7.404 23.711 1.00 46.21 ? 482 ALA A C 1 ATOM 1055 O O . ALA A 1 141 ? -4.513 -8.212 22.847 1.00 46.51 ? 482 ALA A O 1 ATOM 1056 C CB . ALA A 1 141 ? -6.268 -8.050 24.948 1.00 46.64 ? 482 ALA A CB 1 ATOM 1057 N N . PHE A 1 142 ? -3.042 -6.699 23.630 1.00 46.06 ? 483 PHE A N 1 ATOM 1058 C CA . PHE A 1 142 ? -2.168 -6.739 22.469 1.00 46.58 ? 483 PHE A CA 1 ATOM 1059 C C . PHE A 1 142 ? -1.292 -7.968 22.349 1.00 46.09 ? 483 PHE A C 1 ATOM 1060 O O . PHE A 1 142 ? -0.632 -8.174 21.329 1.00 46.00 ? 483 PHE A O 1 ATOM 1061 C CB . PHE A 1 142 ? -1.308 -5.469 22.431 1.00 47.74 ? 483 PHE A CB 1 ATOM 1062 C CG . PHE A 1 142 ? -0.294 -5.389 23.529 1.00 48.41 ? 483 PHE A CG 1 ATOM 1063 C CD1 . PHE A 1 142 ? -0.493 -4.559 24.630 1.00 48.68 ? 483 PHE A CD1 1 ATOM 1064 C CD2 . PHE A 1 142 ? 0.875 -6.144 23.460 1.00 48.80 ? 483 PHE A CD2 1 ATOM 1065 C CE1 . PHE A 1 142 ? 0.452 -4.493 25.653 1.00 48.42 ? 483 PHE A CE1 1 ATOM 1066 C CE2 . PHE A 1 142 ? 1.826 -6.085 24.477 1.00 48.08 ? 483 PHE A CE2 1 ATOM 1067 C CZ . PHE A 1 142 ? 1.617 -5.251 25.572 1.00 48.58 ? 483 PHE A CZ 1 ATOM 1068 N N . ASP A 1 143 ? -1.272 -8.772 23.401 1.00 45.61 ? 484 ASP A N 1 ATOM 1069 C CA . ASP A 1 143 ? -0.479 -9.992 23.395 1.00 44.90 ? 484 ASP A CA 1 ATOM 1070 C C . ASP A 1 143 ? -1.308 -11.070 22.706 1.00 44.25 ? 484 ASP A C 1 ATOM 1071 O O . ASP A 1 143 ? -0.818 -12.170 22.457 1.00 44.99 ? 484 ASP A O 1 ATOM 1072 C CB . ASP A 1 143 ? -0.156 -10.443 24.827 1.00 45.39 ? 484 ASP A CB 1 ATOM 1073 C CG . ASP A 1 143 ? -1.396 -10.569 25.698 1.00 45.57 ? 484 ASP A CG 1 ATOM 1074 O OD1 . ASP A 1 143 ? -2.159 -9.583 25.782 1.00 46.00 ? 484 ASP A OD1 1 ATOM 1075 O OD2 . ASP A 1 143 ? -1.597 -11.644 26.309 1.00 46.34 ? 484 ASP A OD2 1 ATOM 1076 N N . GLU A 1 144 ? -2.553 -10.727 22.377 1.00 43.59 ? 485 GLU A N 1 ATOM 1077 C CA . GLU A 1 144 ? -3.511 -11.636 21.739 1.00 43.61 ? 485 GLU A CA 1 ATOM 1078 C C . GLU A 1 144 ? -3.994 -11.253 20.329 1.00 42.14 ? 485 GLU A C 1 ATOM 1079 O O . GLU A 1 144 ? -4.843 -11.950 19.761 1.00 42.23 ? 485 GLU A O 1 ATOM 1080 C CB . GLU A 1 144 ? -4.736 -11.756 22.655 1.00 45.84 ? 485 GLU A CB 1 ATOM 1081 C CG . GLU A 1 144 ? -4.745 -12.978 23.559 1.00 48.30 ? 485 GLU A CG 1 ATOM 1082 C CD . GLU A 1 144 ? -5.218 -12.692 24.979 1.00 50.28 ? 485 GLU A CD 1 ATOM 1083 O OE1 . GLU A 1 144 ? -6.312 -12.115 25.151 1.00 50.17 ? 485 GLU A OE1 1 ATOM 1084 O OE2 . GLU A 1 144 ? -4.486 -13.059 25.925 1.00 51.59 ? 485 GLU A OE2 1 ATOM 1085 N N . PHE A 1 145 ? -3.456 -10.172 19.763 1.00 39.89 ? 486 PHE A N 1 ATOM 1086 C CA . PHE A 1 145 ? -3.885 -9.713 18.443 1.00 38.20 ? 486 PHE A CA 1 ATOM 1087 C C . PHE A 1 145 ? -3.442 -10.625 17.322 1.00 36.88 ? 486 PHE A C 1 ATOM 1088 O O . PHE A 1 145 ? -4.251 -11.005 16.479 1.00 36.99 ? 486 PHE A O 1 ATOM 1089 C CB . PHE A 1 145 ? -3.397 -8.284 18.188 1.00 38.32 ? 486 PHE A CB 1 ATOM 1090 C CG . PHE A 1 145 ? -4.003 -7.649 16.963 1.00 38.58 ? 486 PHE A CG 1 ATOM 1091 C CD1 . PHE A 1 145 ? -5.344 -7.260 16.942 1.00 38.80 ? 486 PHE A CD1 1 ATOM 1092 C CD2 . PHE A 1 145 ? -3.224 -7.422 15.834 1.00 38.45 ? 486 PHE A CD2 1 ATOM 1093 C CE1 . PHE A 1 145 ? -5.895 -6.664 15.806 1.00 38.64 ? 486 PHE A CE1 1 ATOM 1094 C CE2 . PHE A 1 145 ? -3.764 -6.831 14.699 1.00 37.44 ? 486 PHE A CE2 1 ATOM 1095 C CZ . PHE A 1 145 ? -5.101 -6.443 14.687 1.00 38.13 ? 486 PHE A CZ 1 ATOM 1096 N N . PHE A 1 146 ? -2.160 -10.966 17.306 1.00 35.70 ? 487 PHE A N 1 ATOM 1097 C CA . PHE A 1 146 ? -1.620 -11.873 16.297 1.00 35.03 ? 487 PHE A CA 1 ATOM 1098 C C . PHE A 1 146 ? -1.677 -13.280 16.920 1.00 34.99 ? 487 PHE A C 1 ATOM 1099 O O . PHE A 1 146 ? -1.868 -13.414 18.129 1.00 36.55 ? 487 PHE A O 1 ATOM 1100 C CB . PHE A 1 146 ? -0.173 -11.495 15.985 1.00 34.57 ? 487 PHE A CB 1 ATOM 1101 C CG . PHE A 1 146 ? -0.025 -10.146 15.336 1.00 34.93 ? 487 PHE A CG 1 ATOM 1102 C CD1 . PHE A 1 146 ? -0.347 -9.968 13.990 1.00 33.51 ? 487 PHE A CD1 1 ATOM 1103 C CD2 . PHE A 1 146 ? 0.414 -9.047 16.070 1.00 34.29 ? 487 PHE A CD2 1 ATOM 1104 C CE1 . PHE A 1 146 ? -0.216 -8.717 13.381 1.00 32.59 ? 487 PHE A CE1 1 ATOM 1105 C CE2 . PHE A 1 146 ? 0.547 -7.797 15.472 1.00 33.76 ? 487 PHE A CE2 1 ATOM 1106 C CZ . PHE A 1 146 ? 0.226 -7.633 14.124 1.00 33.24 ? 487 PHE A CZ 1 ATOM 1107 N N . SER A 1 147 ? -1.534 -14.336 16.122 1.00 33.44 ? 488 SER A N 1 ATOM 1108 C CA . SER A 1 147 ? -1.569 -15.689 16.695 1.00 31.67 ? 488 SER A CA 1 ATOM 1109 C C . SER A 1 147 ? -0.193 -16.111 17.198 1.00 30.53 ? 488 SER A C 1 ATOM 1110 O O . SER A 1 147 ? -0.070 -16.870 18.159 1.00 30.13 ? 488 SER A O 1 ATOM 1111 C CB . SER A 1 147 ? -2.065 -16.712 15.672 1.00 31.29 ? 488 SER A CB 1 ATOM 1112 O OG . SER A 1 147 ? -1.332 -16.631 14.466 1.00 30.16 ? 488 SER A OG 1 ATOM 1113 N N . GLN A 1 148 ? 0.838 -15.607 16.537 1.00 29.10 ? 489 GLN A N 1 ATOM 1114 C CA . GLN A 1 148 ? 2.211 -15.899 16.897 1.00 27.41 ? 489 GLN A CA 1 ATOM 1115 C C . GLN A 1 148 ? 3.050 -14.719 16.479 1.00 26.27 ? 489 GLN A C 1 ATOM 1116 O O . GLN A 1 148 ? 2.678 -13.964 15.585 1.00 26.04 ? 489 GLN A O 1 ATOM 1117 C CB . GLN A 1 148 ? 2.739 -17.116 16.131 1.00 28.81 ? 489 GLN A CB 1 ATOM 1118 C CG . GLN A 1 148 ? 2.093 -18.438 16.481 1.00 30.95 ? 489 GLN A CG 1 ATOM 1119 C CD . GLN A 1 148 ? 2.651 -19.597 15.674 1.00 32.74 ? 489 GLN A CD 1 ATOM 1120 O OE1 . GLN A 1 148 ? 3.013 -20.638 16.227 1.00 33.51 ? 489 GLN A OE1 1 ATOM 1121 N NE2 . GLN A 1 148 ? 2.707 -19.429 14.358 1.00 34.43 ? 489 GLN A NE2 1 ATOM 1122 N N . SER A 1 149 ? 4.189 -14.558 17.129 1.00 24.74 ? 490 SER A N 1 ATOM 1123 C CA . SER A 1 149 ? 5.082 -13.485 16.751 1.00 22.55 ? 490 SER A CA 1 ATOM 1124 C C . SER A 1 149 ? 6.507 -13.759 17.108 1.00 21.75 ? 490 SER A C 1 ATOM 1125 O O . SER A 1 149 ? 6.835 -14.756 17.780 1.00 21.25 ? 490 SER A O 1 ATOM 1126 C CB . SER A 1 149 ? 4.753 -12.191 17.477 1.00 22.17 ? 490 SER A CB 1 ATOM 1127 O OG . SER A 1 149 ? 3.466 -11.735 17.165 1.00 21.25 ? 490 SER A OG 1 ATOM 1128 N N . CYS A 1 150 ? 7.366 -12.922 16.533 1.00 20.83 ? 491 CYS A N 1 ATOM 1129 C CA . CYS A 1 150 ? 8.758 -12.933 16.963 1.00 20.77 ? 491 CYS A CA 1 ATOM 1130 C C . CYS A 1 150 ? 8.931 -11.422 17.346 1.00 20.23 ? 491 CYS A C 1 ATOM 1131 O O . CYS A 1 150 ? 9.115 -10.559 16.481 1.00 19.13 ? 491 CYS A O 1 ATOM 1132 C CB . CYS A 1 150 ? 9.844 -13.337 15.942 1.00 21.73 ? 491 CYS A CB 1 ATOM 1133 S SG . CYS A 1 150 ? 11.486 -13.158 16.755 1.00 21.77 ? 491 CYS A SG 1 ATOM 1134 N N . ALA A 1 151 ? 8.804 -11.115 18.642 1.00 20.34 ? 492 ALA A N 1 ATOM 1135 C CA . ALA A 1 151 ? 8.943 -9.778 19.203 1.00 19.35 ? 492 ALA A CA 1 ATOM 1136 C C . ALA A 1 151 ? 10.025 -9.918 20.282 1.00 19.97 ? 492 ALA A C 1 ATOM 1137 O O . ALA A 1 151 ? 9.722 -10.038 21.482 1.00 19.76 ? 492 ALA A O 1 ATOM 1138 C CB . ALA A 1 151 ? 7.641 -9.315 19.832 1.00 18.79 ? 492 ALA A CB 1 ATOM 1139 N N . PRO A 1 152 ? 11.309 -9.905 19.864 1.00 19.58 ? 493 PRO A N 1 ATOM 1140 C CA . PRO A 1 152 ? 12.452 -10.027 20.788 1.00 20.71 ? 493 PRO A CA 1 ATOM 1141 C C . PRO A 1 152 ? 12.319 -9.135 21.995 1.00 21.43 ? 493 PRO A C 1 ATOM 1142 O O . PRO A 1 152 ? 12.047 -7.943 21.887 1.00 23.28 ? 493 PRO A O 1 ATOM 1143 C CB . PRO A 1 152 ? 13.671 -9.712 19.915 1.00 21.42 ? 493 PRO A CB 1 ATOM 1144 C CG . PRO A 1 152 ? 13.212 -10.027 18.545 1.00 21.91 ? 493 PRO A CG 1 ATOM 1145 C CD . PRO A 1 152 ? 11.758 -9.616 18.493 1.00 21.30 ? 493 PRO A CD 1 ATOM 1146 N N . GLY A 1 153 ? 12.542 -9.747 23.150 1.00 21.38 ? 494 GLY A N 1 ATOM 1147 C CA . GLY A 1 153 ? 12.398 -9.025 24.391 1.00 22.10 ? 494 GLY A CA 1 ATOM 1148 C C . GLY A 1 153 ? 11.067 -9.447 25.062 1.00 22.87 ? 494 GLY A C 1 ATOM 1149 O O . GLY A 1 153 ? 10.804 -9.023 26.195 1.00 24.07 ? 494 GLY A O 1 ATOM 1150 N N . ALA A 1 154 ? 10.170 -10.188 24.396 1.00 24.42 ? 495 ALA A N 1 ATOM 1151 C CA . ALA A 1 154 ? 8.930 -10.593 25.092 1.00 25.70 ? 495 ALA A CA 1 ATOM 1152 C C . ALA A 1 154 ? 9.283 -11.877 25.890 1.00 26.10 ? 495 ALA A C 1 ATOM 1153 O O . ALA A 1 154 ? 10.440 -12.293 25.921 1.00 26.42 ? 495 ALA A O 1 ATOM 1154 C CB . ALA A 1 154 ? 7.800 -10.902 24.104 1.00 25.84 ? 495 ALA A CB 1 ATOM 1155 N N . ASP A 1 155 ? 8.298 -12.496 26.540 1.00 26.44 ? 496 ASP A N 1 ATOM 1156 C CA . ASP A 1 155 ? 8.534 -13.714 27.325 1.00 26.41 ? 496 ASP A CA 1 ATOM 1157 C C . ASP A 1 155 ? 8.734 -14.877 26.359 1.00 26.91 ? 496 ASP A C 1 ATOM 1158 O O . ASP A 1 155 ? 7.825 -15.212 25.612 1.00 27.34 ? 496 ASP A O 1 ATOM 1159 C CB . ASP A 1 155 ? 7.329 -13.994 28.244 1.00 27.32 ? 496 ASP A CB 1 ATOM 1160 C CG . ASP A 1 155 ? 7.482 -15.285 29.059 1.00 28.02 ? 496 ASP A CG 1 ATOM 1161 O OD1 . ASP A 1 155 ? 8.627 -15.692 29.333 1.00 26.20 ? 496 ASP A OD1 1 ATOM 1162 O OD2 . ASP A 1 155 ? 6.451 -15.881 29.443 1.00 29.78 ? 496 ASP A OD2 1 ATOM 1163 N N . PRO A 1 156 ? 9.932 -15.503 26.356 1.00 28.01 ? 497 PRO A N 1 ATOM 1164 C CA . PRO A 1 156 ? 10.312 -16.639 25.498 1.00 28.29 ? 497 PRO A CA 1 ATOM 1165 C C . PRO A 1 156 ? 9.254 -17.746 25.343 1.00 29.19 ? 497 PRO A C 1 ATOM 1166 O O . PRO A 1 156 ? 9.186 -18.408 24.307 1.00 29.21 ? 497 PRO A O 1 ATOM 1167 C CB . PRO A 1 156 ? 11.585 -17.166 26.163 1.00 28.41 ? 497 PRO A CB 1 ATOM 1168 C CG . PRO A 1 156 ? 12.218 -15.949 26.705 1.00 27.45 ? 497 PRO A CG 1 ATOM 1169 C CD . PRO A 1 156 ? 11.061 -15.104 27.221 1.00 28.06 ? 497 PRO A CD 1 ATOM 1170 N N . LYS A 1 157 ? 8.455 -17.952 26.389 1.00 28.96 ? 498 LYS A N 1 ATOM 1171 C CA . LYS A 1 157 ? 7.411 -18.978 26.385 1.00 29.82 ? 498 LYS A CA 1 ATOM 1172 C C . LYS A 1 157 ? 6.020 -18.421 26.077 1.00 30.06 ? 498 LYS A C 1 ATOM 1173 O O . LYS A 1 157 ? 5.010 -19.084 26.320 1.00 30.35 ? 498 LYS A O 1 ATOM 1174 C CB . LYS A 1 157 ? 7.365 -19.731 27.737 1.00 31.69 ? 498 LYS A CB 1 ATOM 1175 C CG . LYS A 1 157 ? 6.533 -19.044 28.831 1.00 33.69 ? 498 LYS A CG 1 ATOM 1176 C CD . LYS A 1 157 ? 6.542 -19.763 30.189 1.00 33.97 ? 498 LYS A CD 1 ATOM 1177 C CE . LYS A 1 157 ? 5.932 -18.869 31.289 1.00 34.05 ? 498 LYS A CE 1 ATOM 1178 N NZ . LYS A 1 157 ? 6.801 -17.708 31.666 1.00 33.05 ? 498 LYS A NZ 1 ATOM 1179 N N . SER A 1 158 ? 5.950 -17.206 25.551 1.00 29.36 ? 499 SER A N 1 ATOM 1180 C CA . SER A 1 158 ? 4.653 -16.628 25.213 1.00 28.97 ? 499 SER A CA 1 ATOM 1181 C C . SER A 1 158 ? 4.496 -16.548 23.698 1.00 29.83 ? 499 SER A C 1 ATOM 1182 O O . SER A 1 158 ? 5.439 -16.753 22.933 1.00 29.35 ? 499 SER A O 1 ATOM 1183 C CB . SER A 1 158 ? 4.524 -15.200 25.756 1.00 28.69 ? 499 SER A CB 1 ATOM 1184 O OG . SER A 1 158 ? 5.293 -14.270 24.988 1.00 28.90 ? 499 SER A OG 1 ATOM 1185 N N . ARG A 1 159 ? 3.260 -16.295 23.294 1.00 29.10 ? 500 ARG A N 1 ATOM 1186 C CA . ARG A 1 159 ? 2.860 -16.108 21.905 1.00 29.38 ? 500 ARG A CA 1 ATOM 1187 C C . ARG A 1 159 ? 3.887 -15.227 21.180 1.00 28.33 ? 500 ARG A C 1 ATOM 1188 O O . ARG A 1 159 ? 4.330 -15.531 20.073 1.00 29.50 ? 500 ARG A O 1 ATOM 1189 C CB . ARG A 1 159 ? 1.565 -15.301 21.868 1.00 31.42 ? 500 ARG A CB 1 ATOM 1190 C CG . ARG A 1 159 ? 0.301 -16.085 21.803 1.00 33.59 ? 500 ARG A CG 1 ATOM 1191 C CD . ARG A 1 159 ? -0.882 -15.200 21.483 1.00 36.55 ? 500 ARG A CD 1 ATOM 1192 N NE . ARG A 1 159 ? -2.132 -15.900 21.739 1.00 39.25 ? 500 ARG A NE 1 ATOM 1193 C CZ . ARG A 1 159 ? -3.303 -15.540 21.238 1.00 41.43 ? 500 ARG A CZ 1 ATOM 1194 N NH1 . ARG A 1 159 ? -3.387 -14.481 20.442 1.00 42.79 ? 500 ARG A NH1 1 ATOM 1195 N NH2 . ARG A 1 159 ? -4.389 -16.239 21.535 1.00 42.86 ? 500 ARG A NH2 1 ATOM 1196 N N . LEU A 1 160 ? 4.231 -14.111 21.822 1.00 25.74 ? 501 LEU A N 1 ATOM 1197 C CA . LEU A 1 160 ? 5.144 -13.122 21.261 1.00 24.82 ? 501 LEU A CA 1 ATOM 1198 C C . LEU A 1 160 ? 6.525 -13.563 20.845 1.00 23.86 ? 501 LEU A C 1 ATOM 1199 O O . LEU A 1 160 ? 7.121 -12.976 19.938 1.00 22.26 ? 501 LEU A O 1 ATOM 1200 C CB . LEU A 1 160 ? 5.192 -11.896 22.198 1.00 26.12 ? 501 LEU A CB 1 ATOM 1201 C CG . LEU A 1 160 ? 3.853 -11.115 22.123 1.00 26.14 ? 501 LEU A CG 1 ATOM 1202 C CD1 . LEU A 1 160 ? 3.662 -10.172 23.315 1.00 24.21 ? 501 LEU A CD1 1 ATOM 1203 C CD2 . LEU A 1 160 ? 3.824 -10.355 20.796 1.00 24.74 ? 501 LEU A CD2 1 ATOM 1204 N N . CYS A 1 161 ? 7.012 -14.617 21.481 1.00 23.22 ? 502 CYS A N 1 ATOM 1205 C CA . CYS A 1 161 ? 8.326 -15.152 21.179 1.00 22.47 ? 502 CYS A CA 1 ATOM 1206 C C . CYS A 1 161 ? 8.247 -16.432 20.383 1.00 21.68 ? 502 CYS A C 1 ATOM 1207 O O . CYS A 1 161 ? 9.278 -16.995 20.015 1.00 23.32 ? 502 CYS A O 1 ATOM 1208 C CB . CYS A 1 161 ? 9.062 -15.470 22.463 1.00 21.16 ? 502 CYS A CB 1 ATOM 1209 S SG . CYS A 1 161 ? 9.757 -14.011 23.320 1.00 21.38 ? 502 CYS A SG 1 ATOM 1210 N N . ALA A 1 162 ? 7.036 -16.881 20.095 1.00 20.68 ? 503 ALA A N 1 ATOM 1211 C CA . ALA A 1 162 ? 6.850 -18.124 19.370 1.00 20.02 ? 503 ALA A CA 1 ATOM 1212 C C . ALA A 1 162 ? 7.492 -18.312 17.994 1.00 19.92 ? 503 ALA A C 1 ATOM 1213 O O . ALA A 1 162 ? 7.772 -19.447 17.611 1.00 20.87 ? 503 ALA A O 1 ATOM 1214 C CB . ALA A 1 162 ? 5.340 -18.446 19.304 1.00 19.24 ? 503 ALA A CB 1 ATOM 1215 N N . LEU A 1 163 ? 7.741 -17.236 17.252 1.00 20.53 ? 504 LEU A N 1 ATOM 1216 C CA . LEU A 1 163 ? 8.347 -17.372 15.916 1.00 20.34 ? 504 LEU A CA 1 ATOM 1217 C C . LEU A 1 163 ? 9.852 -17.097 15.866 1.00 20.64 ? 504 LEU A C 1 ATOM 1218 O O . LEU A 1 163 ? 10.475 -17.229 14.810 1.00 20.09 ? 504 LEU A O 1 ATOM 1219 C CB . LEU A 1 163 ? 7.625 -16.466 14.887 1.00 19.25 ? 504 LEU A CB 1 ATOM 1220 C CG . LEU A 1 163 ? 6.109 -16.671 14.599 1.00 20.76 ? 504 LEU A CG 1 ATOM 1221 C CD1 . LEU A 1 163 ? 5.694 -15.778 13.437 1.00 19.74 ? 504 LEU A CD1 1 ATOM 1222 C CD2 . LEU A 1 163 ? 5.809 -18.130 14.244 1.00 20.67 ? 504 LEU A CD2 1 ATOM 1223 N N . CYS A 1 164 ? 10.421 -16.736 17.018 1.00 22.25 ? 505 CYS A N 1 ATOM 1224 C CA . CYS A 1 164 ? 11.845 -16.447 17.150 1.00 22.54 ? 505 CYS A CA 1 ATOM 1225 C C . CYS A 1 164 ? 12.637 -17.746 17.074 1.00 23.43 ? 505 CYS A C 1 ATOM 1226 O O . CYS A 1 164 ? 12.112 -18.818 17.381 1.00 23.84 ? 505 CYS A O 1 ATOM 1227 C CB . CYS A 1 164 ? 12.099 -15.676 18.444 1.00 23.02 ? 505 CYS A CB 1 ATOM 1228 S SG . CYS A 1 164 ? 11.285 -14.048 18.576 1.00 26.10 ? 505 CYS A SG 1 ATOM 1229 N N . ALA A 1 165 ? 13.910 -17.645 16.712 1.00 25.25 ? 506 ALA A N 1 ATOM 1230 C CA . ALA A 1 165 ? 14.713 -18.830 16.497 1.00 25.49 ? 506 ALA A CA 1 ATOM 1231 C C . ALA A 1 165 ? 16.071 -18.920 17.157 1.00 26.37 ? 506 ALA A C 1 ATOM 1232 O O . ALA A 1 165 ? 16.809 -19.884 16.944 1.00 27.53 ? 506 ALA A O 1 ATOM 1233 C CB . ALA A 1 165 ? 14.836 -19.002 14.962 1.00 22.75 ? 506 ALA A CB 1 ATOM 1234 N N . GLY A 1 166 ? 16.409 -17.900 17.925 1.00 27.28 ? 507 GLY A N 1 ATOM 1235 C CA . GLY A 1 166 ? 17.675 -17.929 18.613 1.00 28.13 ? 507 GLY A CA 1 ATOM 1236 C C . GLY A 1 166 ? 18.877 -18.018 17.721 1.00 29.52 ? 507 GLY A C 1 ATOM 1237 O O . GLY A 1 166 ? 18.753 -17.810 16.523 1.00 30.18 ? 507 GLY A O 1 ATOM 1238 N N . ASP A 1 167 ? 20.012 -18.411 18.287 1.00 30.36 ? 508 ASP A N 1 ATOM 1239 C CA . ASP A 1 167 ? 21.257 -18.494 17.532 1.00 32.11 ? 508 ASP A CA 1 ATOM 1240 C C . ASP A 1 167 ? 21.554 -19.754 16.734 1.00 33.30 ? 508 ASP A C 1 ATOM 1241 O O . ASP A 1 167 ? 20.672 -20.566 16.508 1.00 32.60 ? 508 ASP A O 1 ATOM 1242 C CB . ASP A 1 167 ? 22.423 -18.183 18.488 1.00 31.62 ? 508 ASP A CB 1 ATOM 1243 C CG . ASP A 1 167 ? 22.746 -19.334 19.434 1.00 31.96 ? 508 ASP A CG 1 ATOM 1244 O OD1 . ASP A 1 167 ? 21.976 -20.316 19.480 1.00 30.80 ? 508 ASP A OD1 1 ATOM 1245 O OD2 . ASP A 1 167 ? 23.775 -19.250 20.139 1.00 34.22 ? 508 ASP A OD2 1 ATOM 1246 N N . ASP A 1 168 ? 22.805 -19.870 16.286 1.00 35.41 ? 509 ASP A N 1 ATOM 1247 C CA . ASP A 1 168 ? 23.271 -21.014 15.509 1.00 38.07 ? 509 ASP A CA 1 ATOM 1248 C C . ASP A 1 168 ? 22.767 -22.318 16.127 1.00 38.26 ? 509 ASP A C 1 ATOM 1249 O O . ASP A 1 168 ? 22.193 -23.170 15.449 1.00 39.28 ? 509 ASP A O 1 ATOM 1250 C CB . ASP A 1 168 ? 24.818 -21.061 15.473 1.00 39.64 ? 509 ASP A CB 1 ATOM 1251 C CG . ASP A 1 168 ? 25.441 -20.073 14.473 1.00 42.58 ? 509 ASP A CG 1 ATOM 1252 O OD1 . ASP A 1 168 ? 24.725 -19.607 13.556 1.00 43.97 ? 509 ASP A OD1 1 ATOM 1253 O OD2 . ASP A 1 168 ? 26.660 -19.791 14.594 1.00 42.55 ? 509 ASP A OD2 1 ATOM 1254 N N . GLN A 1 169 ? 22.990 -22.448 17.430 1.00 39.05 ? 510 GLN A N 1 ATOM 1255 C CA . GLN A 1 169 ? 22.621 -23.627 18.205 1.00 38.91 ? 510 GLN A CA 1 ATOM 1256 C C . GLN A 1 169 ? 21.165 -23.724 18.625 1.00 38.27 ? 510 GLN A C 1 ATOM 1257 O O . GLN A 1 169 ? 20.761 -24.729 19.219 1.00 39.73 ? 510 GLN A O 1 ATOM 1258 C CB . GLN A 1 169 ? 23.479 -23.691 19.475 1.00 40.29 ? 510 GLN A CB 1 ATOM 1259 C CG . GLN A 1 169 ? 24.970 -23.920 19.263 1.00 42.02 ? 510 GLN A CG 1 ATOM 1260 C CD . GLN A 1 169 ? 25.504 -25.021 20.160 1.00 44.03 ? 510 GLN A CD 1 ATOM 1261 O OE1 . GLN A 1 169 ? 24.920 -26.103 20.231 1.00 42.99 ? 510 GLN A OE1 1 ATOM 1262 N NE2 . GLN A 1 169 ? 26.620 -24.758 20.842 1.00 44.49 ? 510 GLN A NE2 1 ATOM 1263 N N . GLY A 1 170 ? 20.380 -22.697 18.325 1.00 36.91 ? 511 GLY A N 1 ATOM 1264 C CA . GLY A 1 170 ? 18.991 -22.717 18.729 1.00 35.67 ? 511 GLY A CA 1 ATOM 1265 C C . GLY A 1 170 ? 18.845 -22.149 20.138 1.00 35.63 ? 511 GLY A C 1 ATOM 1266 O O . GLY A 1 170 ? 17.798 -22.304 20.765 1.00 35.37 ? 511 GLY A O 1 ATOM 1267 N N . LEU A 1 171 ? 19.893 -21.509 20.660 1.00 34.98 ? 512 LEU A N 1 ATOM 1268 C CA . LEU A 1 171 ? 19.838 -20.937 22.007 1.00 34.40 ? 512 LEU A CA 1 ATOM 1269 C C . LEU A 1 171 ? 19.573 -19.431 21.952 1.00 33.93 ? 512 LEU A C 1 ATOM 1270 O O . LEU A 1 171 ? 19.546 -18.824 20.882 1.00 34.23 ? 512 LEU A O 1 ATOM 1271 C CB . LEU A 1 171 ? 21.161 -21.166 22.764 1.00 34.73 ? 512 LEU A CB 1 ATOM 1272 C CG . LEU A 1 171 ? 21.752 -22.588 22.903 1.00 36.05 ? 512 LEU A CG 1 ATOM 1273 C CD1 . LEU A 1 171 ? 22.623 -22.629 24.163 1.00 34.61 ? 512 LEU A CD1 1 ATOM 1274 C CD2 . LEU A 1 171 ? 20.627 -23.631 23.000 1.00 35.42 ? 512 LEU A CD2 1 ATOM 1275 N N . ASP A 1 172 ? 19.338 -18.833 23.113 1.00 33.03 ? 513 ASP A N 1 ATOM 1276 C CA . ASP A 1 172 ? 19.099 -17.401 23.167 1.00 32.09 ? 513 ASP A CA 1 ATOM 1277 C C . ASP A 1 172 ? 17.850 -16.960 22.433 1.00 31.09 ? 513 ASP A C 1 ATOM 1278 O O . ASP A 1 172 ? 17.776 -15.846 21.906 1.00 30.90 ? 513 ASP A O 1 ATOM 1279 C CB . ASP A 1 172 ? 20.326 -16.680 22.597 1.00 34.45 ? 513 ASP A CB 1 ATOM 1280 C CG . ASP A 1 172 ? 21.417 -16.480 23.638 1.00 36.51 ? 513 ASP A CG 1 ATOM 1281 O OD1 . ASP A 1 172 ? 21.073 -16.512 24.833 1.00 37.87 ? 513 ASP A OD1 1 ATOM 1282 O OD2 . ASP A 1 172 ? 22.592 -16.263 23.270 1.00 37.72 ? 513 ASP A OD2 1 ATOM 1283 N N . LYS A 1 173 ? 16.862 -17.833 22.413 1.00 28.95 ? 514 LYS A N 1 ATOM 1284 C CA . LYS A 1 173 ? 15.633 -17.510 21.735 1.00 26.53 ? 514 LYS A CA 1 ATOM 1285 C C . LYS A 1 173 ? 14.941 -16.276 22.312 1.00 24.66 ? 514 LYS A C 1 ATOM 1286 O O . LYS A 1 173 ? 14.761 -16.138 23.522 1.00 23.06 ? 514 LYS A O 1 ATOM 1287 C CB . LYS A 1 173 ? 14.679 -18.705 21.797 1.00 28.34 ? 514 LYS A CB 1 ATOM 1288 C CG . LYS A 1 173 ? 13.504 -18.611 20.861 1.00 28.88 ? 514 LYS A CG 1 ATOM 1289 C CD . LYS A 1 173 ? 12.488 -19.683 21.170 1.00 31.45 ? 514 LYS A CD 1 ATOM 1290 C CE . LYS A 1 173 ? 11.716 -19.364 22.439 1.00 31.38 ? 514 LYS A CE 1 ATOM 1291 N NZ . LYS A 1 173 ? 10.269 -19.656 22.236 1.00 33.51 ? 514 LYS A NZ 1 ATOM 1292 N N . CYS A 1 174 ? 14.593 -15.369 21.410 1.00 22.80 ? 515 CYS A N 1 ATOM 1293 C CA . CYS A 1 174 ? 13.898 -14.142 21.731 1.00 19.95 ? 515 CYS A CA 1 ATOM 1294 C C . CYS A 1 174 ? 14.636 -13.051 22.468 1.00 19.45 ? 515 CYS A C 1 ATOM 1295 O O . CYS A 1 174 ? 14.020 -12.118 22.963 1.00 19.57 ? 515 CYS A O 1 ATOM 1296 C CB . CYS A 1 174 ? 12.600 -14.489 22.451 1.00 20.26 ? 515 CYS A CB 1 ATOM 1297 S SG . CYS A 1 174 ? 11.178 -13.406 22.007 1.00 19.30 ? 515 CYS A SG 1 ATOM 1298 N N . VAL A 1 175 ? 15.954 -13.187 22.565 1.00 19.17 ? 516 VAL A N 1 ATOM 1299 C CA . VAL A 1 175 ? 16.749 -12.155 23.223 1.00 18.39 ? 516 VAL A CA 1 ATOM 1300 C C . VAL A 1 175 ? 16.849 -10.951 22.284 1.00 17.64 ? 516 VAL A C 1 ATOM 1301 O O . VAL A 1 175 ? 17.039 -11.090 21.062 1.00 16.37 ? 516 VAL A O 1 ATOM 1302 C CB . VAL A 1 175 ? 18.253 -12.548 23.537 1.00 18.16 ? 516 VAL A CB 1 ATOM 1303 C CG1 . VAL A 1 175 ? 18.321 -13.451 24.755 1.00 18.29 ? 516 VAL A CG1 1 ATOM 1304 C CG2 . VAL A 1 175 ? 18.918 -13.175 22.304 1.00 16.84 ? 516 VAL A CG2 1 ATOM 1305 N N . PRO A 1 176 ? 16.732 -9.740 22.851 1.00 17.17 ? 517 PRO A N 1 ATOM 1306 C CA . PRO A 1 176 ? 16.808 -8.496 22.093 1.00 17.27 ? 517 PRO A CA 1 ATOM 1307 C C . PRO A 1 176 ? 18.224 -8.086 21.758 1.00 18.58 ? 517 PRO A C 1 ATOM 1308 O O . PRO A 1 176 ? 18.683 -7.012 22.153 1.00 18.33 ? 517 PRO A O 1 ATOM 1309 C CB . PRO A 1 176 ? 16.068 -7.488 22.970 1.00 16.15 ? 517 PRO A CB 1 ATOM 1310 C CG . PRO A 1 176 ? 16.373 -7.947 24.326 1.00 15.35 ? 517 PRO A CG 1 ATOM 1311 C CD . PRO A 1 176 ? 16.394 -9.475 24.259 1.00 17.20 ? 517 PRO A CD 1 ATOM 1312 N N . ASN A 1 177 ? 18.965 -9.009 21.150 1.00 19.55 ? 518 ASN A N 1 ATOM 1313 C CA . ASN A 1 177 ? 20.290 -8.656 20.651 1.00 21.43 ? 518 ASN A CA 1 ATOM 1314 C C . ASN A 1 177 ? 20.526 -9.449 19.346 1.00 22.71 ? 518 ASN A C 1 ATOM 1315 O O . ASN A 1 177 ? 19.716 -10.324 18.995 1.00 22.11 ? 518 ASN A O 1 ATOM 1316 C CB . ASN A 1 177 ? 21.430 -8.773 21.680 1.00 20.88 ? 518 ASN A CB 1 ATOM 1317 C CG . ASN A 1 177 ? 21.747 -10.159 22.066 1.00 20.68 ? 518 ASN A CG 1 ATOM 1318 O OD1 . ASN A 1 177 ? 22.012 -11.006 21.222 1.00 21.12 ? 518 ASN A OD1 1 ATOM 1319 N ND2 . ASN A 1 177 ? 21.763 -10.408 23.373 1.00 20.77 ? 518 ASN A ND2 1 ATOM 1320 N N . SER A 1 178 ? 21.582 -9.122 18.599 1.00 24.52 ? 519 SER A N 1 ATOM 1321 C CA . SER A 1 178 ? 21.803 -9.774 17.309 1.00 25.44 ? 519 SER A CA 1 ATOM 1322 C C . SER A 1 178 ? 21.996 -11.282 17.300 1.00 25.56 ? 519 SER A C 1 ATOM 1323 O O . SER A 1 178 ? 22.065 -11.884 16.226 1.00 26.46 ? 519 SER A O 1 ATOM 1324 C CB . SER A 1 178 ? 22.927 -9.063 16.537 1.00 25.44 ? 519 SER A CB 1 ATOM 1325 O OG . SER A 1 178 ? 24.188 -9.478 16.990 1.00 27.85 ? 519 SER A OG 1 ATOM 1326 N N . LYS A 1 179 ? 22.120 -11.885 18.455 1.00 25.56 ? 520 LYS A N 1 ATOM 1327 C CA . LYS A 1 179 ? 22.194 -13.313 18.565 1.00 25.69 ? 520 LYS A CA 1 ATOM 1328 C C . LYS A 1 179 ? 20.905 -13.974 18.121 1.00 25.50 ? 520 LYS A C 1 ATOM 1329 O O . LYS A 1 179 ? 20.970 -15.013 17.541 1.00 25.11 ? 520 LYS A O 1 ATOM 1330 C CB . LYS A 1 179 ? 22.496 -13.713 19.991 1.00 28.00 ? 520 LYS A CB 1 ATOM 1331 C CG . LYS A 1 179 ? 23.837 -14.210 20.247 1.00 30.36 ? 520 LYS A CG 1 ATOM 1332 C CD . LYS A 1 179 ? 24.681 -14.094 19.053 1.00 33.56 ? 520 LYS A CD 1 ATOM 1333 C CE . LYS A 1 179 ? 25.367 -15.393 18.747 1.00 33.81 ? 520 LYS A CE 1 ATOM 1334 N NZ . LYS A 1 179 ? 25.016 -15.843 17.383 1.00 36.24 ? 520 LYS A NZ 1 ATOM 1335 N N . GLU A 1 180 ? 19.759 -13.339 18.389 1.00 24.92 ? 521 GLU A N 1 ATOM 1336 C CA . GLU A 1 180 ? 18.432 -13.820 17.960 1.00 24.56 ? 521 GLU A CA 1 ATOM 1337 C C . GLU A 1 180 ? 18.433 -13.519 16.440 1.00 25.52 ? 521 GLU A C 1 ATOM 1338 O O . GLU A 1 180 ? 18.692 -12.379 16.004 1.00 25.65 ? 521 GLU A O 1 ATOM 1339 C CB . GLU A 1 180 ? 17.313 -13.034 18.664 1.00 25.37 ? 521 GLU A CB 1 ATOM 1340 C CG . GLU A 1 180 ? 15.907 -13.164 18.028 1.00 26.06 ? 521 GLU A CG 1 ATOM 1341 C CD . GLU A 1 180 ? 15.407 -14.606 17.894 1.00 27.06 ? 521 GLU A CD 1 ATOM 1342 O OE1 . GLU A 1 180 ? 15.385 -15.330 18.913 1.00 26.13 ? 521 GLU A OE1 1 ATOM 1343 O OE2 . GLU A 1 180 ? 15.027 -15.005 16.771 1.00 27.30 ? 521 GLU A OE2 1 ATOM 1344 N N . LYS A 1 181 ? 18.146 -14.547 15.644 1.00 24.95 ? 522 LYS A N 1 ATOM 1345 C CA . LYS A 1 181 ? 18.142 -14.456 14.180 1.00 25.71 ? 522 LYS A CA 1 ATOM 1346 C C . LYS A 1 181 ? 17.190 -13.420 13.604 1.00 25.95 ? 522 LYS A C 1 ATOM 1347 O O . LYS A 1 181 ? 17.525 -12.707 12.661 1.00 26.34 ? 522 LYS A O 1 ATOM 1348 C CB . LYS A 1 181 ? 17.826 -15.840 13.546 1.00 26.58 ? 522 LYS A CB 1 ATOM 1349 C CG . LYS A 1 181 ? 18.111 -15.940 12.022 1.00 28.74 ? 522 LYS A CG 1 ATOM 1350 C CD . LYS A 1 181 ? 17.380 -17.110 11.317 1.00 30.44 ? 522 LYS A CD 1 ATOM 1351 C CE . LYS A 1 181 ? 18.184 -18.410 11.318 1.00 32.51 ? 522 LYS A CE 1 ATOM 1352 N NZ . LYS A 1 181 ? 17.401 -19.619 10.903 1.00 33.50 ? 522 LYS A NZ 1 ATOM 1353 N N . TYR A 1 182 ? 16.014 -13.317 14.204 1.00 25.27 ? 523 TYR A N 1 ATOM 1354 C CA . TYR A 1 182 ? 14.989 -12.403 13.740 1.00 23.65 ? 523 TYR A CA 1 ATOM 1355 C C . TYR A 1 182 ? 14.883 -11.053 14.453 1.00 23.82 ? 523 TYR A C 1 ATOM 1356 O O . TYR A 1 182 ? 13.860 -10.372 14.359 1.00 23.99 ? 523 TYR A O 1 ATOM 1357 C CB . TYR A 1 182 ? 13.642 -13.140 13.787 1.00 22.91 ? 523 TYR A CB 1 ATOM 1358 C CG . TYR A 1 182 ? 13.598 -14.396 12.924 1.00 22.87 ? 523 TYR A CG 1 ATOM 1359 C CD1 . TYR A 1 182 ? 14.193 -14.419 11.661 1.00 22.53 ? 523 TYR A CD1 1 ATOM 1360 C CD2 . TYR A 1 182 ? 12.948 -15.545 13.359 1.00 22.17 ? 523 TYR A CD2 1 ATOM 1361 C CE1 . TYR A 1 182 ? 14.138 -15.552 10.859 1.00 22.06 ? 523 TYR A CE1 1 ATOM 1362 C CE2 . TYR A 1 182 ? 12.886 -16.676 12.565 1.00 22.34 ? 523 TYR A CE2 1 ATOM 1363 C CZ . TYR A 1 182 ? 13.480 -16.676 11.323 1.00 23.00 ? 523 TYR A CZ 1 ATOM 1364 O OH . TYR A 1 182 ? 13.403 -17.804 10.548 1.00 24.51 ? 523 TYR A OH 1 ATOM 1365 N N . TYR A 1 183 ? 15.947 -10.644 15.132 1.00 22.82 ? 524 TYR A N 1 ATOM 1366 C CA . TYR A 1 183 ? 15.945 -9.367 15.846 1.00 22.40 ? 524 TYR A CA 1 ATOM 1367 C C . TYR A 1 183 ? 16.497 -8.200 15.025 1.00 22.70 ? 524 TYR A C 1 ATOM 1368 O O . TYR A 1 183 ? 17.407 -8.375 14.207 1.00 22.57 ? 524 TYR A O 1 ATOM 1369 C CB . TYR A 1 183 ? 16.750 -9.495 17.141 1.00 20.49 ? 524 TYR A CB 1 ATOM 1370 C CG . TYR A 1 183 ? 17.184 -8.167 17.767 1.00 19.56 ? 524 TYR A CG 1 ATOM 1371 C CD1 . TYR A 1 183 ? 16.395 -7.522 18.725 1.00 18.87 ? 524 TYR A CD1 1 ATOM 1372 C CD2 . TYR A 1 183 ? 18.364 -7.534 17.362 1.00 17.76 ? 524 TYR A CD2 1 ATOM 1373 C CE1 . TYR A 1 183 ? 16.768 -6.288 19.260 1.00 17.12 ? 524 TYR A CE1 1 ATOM 1374 C CE2 . TYR A 1 183 ? 18.742 -6.290 17.892 1.00 16.11 ? 524 TYR A CE2 1 ATOM 1375 C CZ . TYR A 1 183 ? 17.930 -5.674 18.840 1.00 16.50 ? 524 TYR A CZ 1 ATOM 1376 O OH . TYR A 1 183 ? 18.237 -4.441 19.369 1.00 16.36 ? 524 TYR A OH 1 ATOM 1377 N N . GLY A 1 184 ? 15.924 -7.017 15.252 1.00 20.54 ? 525 GLY A N 1 ATOM 1378 C CA . GLY A 1 184 ? 16.347 -5.821 14.546 1.00 19.99 ? 525 GLY A CA 1 ATOM 1379 C C . GLY A 1 184 ? 15.645 -5.556 13.228 1.00 19.67 ? 525 GLY A C 1 ATOM 1380 O O . GLY A 1 184 ? 14.677 -6.226 12.871 1.00 18.64 ? 525 GLY A O 1 ATOM 1381 N N . TYR A 1 185 ? 16.143 -4.563 12.498 1.00 19.57 ? 526 TYR A N 1 ATOM 1382 C CA . TYR A 1 185 ? 15.573 -4.196 11.207 1.00 20.14 ? 526 TYR A CA 1 ATOM 1383 C C . TYR A 1 185 ? 15.743 -5.321 10.192 1.00 19.62 ? 526 TYR A C 1 ATOM 1384 O O . TYR A 1 185 ? 14.827 -5.627 9.430 1.00 19.69 ? 526 TYR A O 1 ATOM 1385 C CB . TYR A 1 185 ? 16.227 -2.918 10.677 1.00 18.24 ? 526 TYR A CB 1 ATOM 1386 C CG . TYR A 1 185 ? 15.766 -1.653 11.365 1.00 17.08 ? 526 TYR A CG 1 ATOM 1387 C CD1 . TYR A 1 185 ? 14.415 -1.351 11.477 1.00 17.69 ? 526 TYR A CD1 1 ATOM 1388 C CD2 . TYR A 1 185 ? 16.683 -0.758 11.901 1.00 16.55 ? 526 TYR A CD2 1 ATOM 1389 C CE1 . TYR A 1 185 ? 13.991 -0.194 12.105 1.00 16.87 ? 526 TYR A CE1 1 ATOM 1390 C CE2 . TYR A 1 185 ? 16.269 0.401 12.529 1.00 18.00 ? 526 TYR A CE2 1 ATOM 1391 C CZ . TYR A 1 185 ? 14.922 0.678 12.629 1.00 18.84 ? 526 TYR A CZ 1 ATOM 1392 O OH . TYR A 1 185 ? 14.506 1.831 13.254 1.00 17.45 ? 526 TYR A OH 1 ATOM 1393 N N . THR A 1 186 ? 16.924 -5.930 10.187 1.00 20.47 ? 527 THR A N 1 ATOM 1394 C CA . THR A 1 186 ? 17.234 -6.998 9.244 1.00 22.58 ? 527 THR A CA 1 ATOM 1395 C C . THR A 1 186 ? 16.661 -8.338 9.694 1.00 22.39 ? 527 THR A C 1 ATOM 1396 O O . THR A 1 186 ? 16.262 -9.160 8.870 1.00 22.46 ? 527 THR A O 1 ATOM 1397 C CB . THR A 1 186 ? 18.754 -7.142 9.040 1.00 22.01 ? 527 THR A CB 1 ATOM 1398 O OG1 . THR A 1 186 ? 19.302 -5.888 8.614 1.00 26.17 ? 527 THR A OG1 1 ATOM 1399 C CG2 . THR A 1 186 ? 19.054 -8.203 7.992 1.00 22.86 ? 527 THR A CG2 1 ATOM 1400 N N . GLY A 1 187 ? 16.625 -8.554 11.005 1.00 23.22 ? 528 GLY A N 1 ATOM 1401 C CA . GLY A 1 187 ? 16.125 -9.798 11.561 1.00 22.72 ? 528 GLY A CA 1 ATOM 1402 C C . GLY A 1 187 ? 14.627 -9.974 11.394 1.00 22.78 ? 528 GLY A C 1 ATOM 1403 O O . GLY A 1 187 ? 14.144 -11.085 11.182 1.00 23.75 ? 528 GLY A O 1 ATOM 1404 N N . ALA A 1 188 ? 13.891 -8.872 11.494 1.00 22.88 ? 529 ALA A N 1 ATOM 1405 C CA . ALA A 1 188 ? 12.427 -8.906 11.372 1.00 23.69 ? 529 ALA A CA 1 ATOM 1406 C C . ALA A 1 188 ? 12.015 -8.989 9.892 1.00 24.47 ? 529 ALA A C 1 ATOM 1407 O O . ALA A 1 188 ? 10.974 -9.556 9.587 1.00 26.92 ? 529 ALA A O 1 ATOM 1408 C CB . ALA A 1 188 ? 11.784 -7.683 12.050 1.00 22.05 ? 529 ALA A CB 1 ATOM 1409 N N . PHE A 1 189 ? 12.813 -8.445 8.972 1.00 24.19 ? 530 PHE A N 1 ATOM 1410 C CA . PHE A 1 189 ? 12.461 -8.535 7.553 1.00 24.13 ? 530 PHE A CA 1 ATOM 1411 C C . PHE A 1 189 ? 12.797 -9.959 7.054 1.00 24.30 ? 530 PHE A C 1 ATOM 1412 O O . PHE A 1 189 ? 12.156 -10.469 6.134 1.00 24.64 ? 530 PHE A O 1 ATOM 1413 C CB . PHE A 1 189 ? 13.210 -7.456 6.748 1.00 23.41 ? 530 PHE A CB 1 ATOM 1414 C CG . PHE A 1 189 ? 13.033 -7.598 5.257 1.00 23.64 ? 530 PHE A CG 1 ATOM 1415 C CD1 . PHE A 1 189 ? 11.882 -7.137 4.615 1.00 23.53 ? 530 PHE A CD1 1 ATOM 1416 C CD2 . PHE A 1 189 ? 14.073 -8.104 4.484 1.00 23.54 ? 530 PHE A CD2 1 ATOM 1417 C CE1 . PHE A 1 189 ? 11.750 -7.239 3.222 1.00 23.16 ? 530 PHE A CE1 1 ATOM 1418 C CE2 . PHE A 1 189 ? 13.957 -8.209 3.099 1.00 24.49 ? 530 PHE A CE2 1 ATOM 1419 C CZ . PHE A 1 189 ? 12.803 -7.743 2.464 1.00 24.95 ? 530 PHE A CZ 1 ATOM 1420 N N . ARG A 1 190 ? 13.802 -10.596 7.663 1.00 24.21 ? 531 ARG A N 1 ATOM 1421 C CA . ARG A 1 190 ? 14.189 -11.968 7.299 1.00 24.36 ? 531 ARG A CA 1 ATOM 1422 C C . ARG A 1 190 ? 13.055 -12.905 7.762 1.00 24.20 ? 531 ARG A C 1 ATOM 1423 O O . ARG A 1 190 ? 12.748 -13.918 7.131 1.00 25.21 ? 531 ARG A O 1 ATOM 1424 C CB . ARG A 1 190 ? 15.469 -12.378 8.017 1.00 25.38 ? 531 ARG A CB 1 ATOM 1425 C CG . ARG A 1 190 ? 15.816 -13.821 7.792 1.00 24.46 ? 531 ARG A CG 1 ATOM 1426 C CD . ARG A 1 190 ? 17.210 -14.109 8.277 1.00 23.82 ? 531 ARG A CD 1 ATOM 1427 N NE . ARG A 1 190 ? 17.599 -15.461 7.899 1.00 25.42 ? 531 ARG A NE 1 ATOM 1428 C CZ . ARG A 1 190 ? 18.753 -16.027 8.222 1.00 25.10 ? 531 ARG A CZ 1 ATOM 1429 N NH1 . ARG A 1 190 ? 19.648 -15.361 8.935 1.00 25.47 ? 531 ARG A NH1 1 ATOM 1430 N NH2 . ARG A 1 190 ? 19.006 -17.261 7.826 1.00 26.08 ? 531 ARG A NH2 1 ATOM 1431 N N . CYS A 1 191 ? 12.457 -12.564 8.892 1.00 24.42 ? 532 CYS A N 1 ATOM 1432 C CA . CYS A 1 191 ? 11.355 -13.317 9.463 1.00 22.82 ? 532 CYS A CA 1 ATOM 1433 C C . CYS A 1 191 ? 10.186 -13.419 8.459 1.00 22.44 ? 532 CYS A C 1 ATOM 1434 O O . CYS A 1 191 ? 9.520 -14.462 8.347 1.00 22.19 ? 532 CYS A O 1 ATOM 1435 C CB . CYS A 1 191 ? 10.939 -12.581 10.699 1.00 19.98 ? 532 CYS A CB 1 ATOM 1436 S SG . CYS A 1 191 ? 9.384 -13.132 11.491 1.00 20.02 ? 532 CYS A SG 1 ATOM 1437 N N . LEU A 1 192 ? 9.953 -12.322 7.740 1.00 21.00 ? 533 LEU A N 1 ATOM 1438 C CA . LEU A 1 192 ? 8.906 -12.227 6.718 1.00 21.11 ? 533 LEU A CA 1 ATOM 1439 C C . LEU A 1 192 ? 9.412 -12.851 5.413 1.00 21.21 ? 533 LEU A C 1 ATOM 1440 O O . LEU A 1 192 ? 8.684 -13.562 4.724 1.00 20.48 ? 533 LEU A O 1 ATOM 1441 C CB . LEU A 1 192 ? 8.556 -10.762 6.409 1.00 19.52 ? 533 LEU A CB 1 ATOM 1442 C CG . LEU A 1 192 ? 7.676 -10.485 5.163 1.00 19.28 ? 533 LEU A CG 1 ATOM 1443 C CD1 . LEU A 1 192 ? 6.174 -10.670 5.472 1.00 15.07 ? 533 LEU A CD1 1 ATOM 1444 C CD2 . LEU A 1 192 ? 7.960 -9.060 4.706 1.00 16.55 ? 533 LEU A CD2 1 ATOM 1445 N N . ALA A 1 193 ? 10.670 -12.576 5.084 1.00 22.02 ? 534 ALA A N 1 ATOM 1446 C CA . ALA A 1 193 ? 11.272 -13.087 3.864 1.00 22.45 ? 534 ALA A CA 1 ATOM 1447 C C . ALA A 1 193 ? 11.215 -14.604 3.787 1.00 23.08 ? 534 ALA A C 1 ATOM 1448 O O . ALA A 1 193 ? 10.947 -15.165 2.721 1.00 23.59 ? 534 ALA A O 1 ATOM 1449 C CB . ALA A 1 193 ? 12.723 -12.580 3.753 1.00 20.90 ? 534 ALA A CB 1 ATOM 1450 N N . GLU A 1 194 ? 11.449 -15.245 4.929 1.00 23.07 ? 535 GLU A N 1 ATOM 1451 C CA . GLU A 1 194 ? 11.423 -16.699 5.035 1.00 21.77 ? 535 GLU A CA 1 ATOM 1452 C C . GLU A 1 194 ? 10.022 -17.257 5.295 1.00 21.71 ? 535 GLU A C 1 ATOM 1453 O O . GLU A 1 194 ? 9.845 -18.461 5.432 1.00 22.11 ? 535 GLU A O 1 ATOM 1454 C CB . GLU A 1 194 ? 12.399 -17.196 6.128 1.00 21.83 ? 535 GLU A CB 1 ATOM 1455 C CG . GLU A 1 194 ? 13.889 -17.076 5.774 1.00 22.83 ? 535 GLU A CG 1 ATOM 1456 C CD . GLU A 1 194 ? 14.813 -17.422 6.948 1.00 24.92 ? 535 GLU A CD 1 ATOM 1457 O OE1 . GLU A 1 194 ? 14.327 -17.440 8.099 1.00 26.30 ? 535 GLU A OE1 1 ATOM 1458 O OE2 . GLU A 1 194 ? 16.023 -17.660 6.730 1.00 27.01 ? 535 GLU A OE2 1 ATOM 1459 N N . ASP A 1 195 ? 9.026 -16.386 5.365 1.00 20.92 ? 536 ASP A N 1 ATOM 1460 C CA . ASP A 1 195 ? 7.648 -16.809 5.577 1.00 22.04 ? 536 ASP A CA 1 ATOM 1461 C C . ASP A 1 195 ? 7.263 -17.418 6.897 1.00 21.39 ? 536 ASP A C 1 ATOM 1462 O O . ASP A 1 195 ? 6.277 -18.152 7.017 1.00 21.34 ? 536 ASP A O 1 ATOM 1463 C CB . ASP A 1 195 ? 7.165 -17.686 4.409 1.00 22.98 ? 536 ASP A CB 1 ATOM 1464 C CG . ASP A 1 195 ? 6.859 -16.867 3.159 1.00 24.57 ? 536 ASP A CG 1 ATOM 1465 O OD1 . ASP A 1 195 ? 6.639 -15.641 3.255 1.00 28.03 ? 536 ASP A OD1 1 ATOM 1466 O OD2 . ASP A 1 195 ? 6.810 -17.473 2.079 1.00 28.09 ? 536 ASP A OD2 1 ATOM 1467 N N . VAL A 1 196 ? 8.102 -17.121 7.877 1.00 22.23 ? 537 VAL A N 1 ATOM 1468 C CA . VAL A 1 196 ? 7.892 -17.537 9.249 1.00 20.98 ? 537 VAL A CA 1 ATOM 1469 C C . VAL A 1 196 ? 6.680 -16.616 9.616 1.00 20.47 ? 537 VAL A C 1 ATOM 1470 O O . VAL A 1 196 ? 5.703 -17.074 10.203 1.00 21.60 ? 537 VAL A O 1 ATOM 1471 C CB . VAL A 1 196 ? 9.105 -17.154 10.097 1.00 21.27 ? 537 VAL A CB 1 ATOM 1472 C CG1 . VAL A 1 196 ? 8.780 -17.250 11.599 1.00 20.79 ? 537 VAL A CG1 1 ATOM 1473 C CG2 . VAL A 1 196 ? 10.256 -18.074 9.713 1.00 19.21 ? 537 VAL A CG2 1 ATOM 1474 N N . GLY A 1 197 ? 6.727 -15.324 9.270 1.00 20.72 ? 538 GLY A N 1 ATOM 1475 C CA . GLY A 1 197 ? 5.603 -14.452 9.592 1.00 19.26 ? 538 GLY A CA 1 ATOM 1476 C C . GLY A 1 197 ? 4.905 -13.867 8.367 1.00 18.55 ? 538 GLY A C 1 ATOM 1477 O O . GLY A 1 197 ? 5.438 -13.886 7.258 1.00 16.45 ? 538 GLY A O 1 ATOM 1478 N N . ASP A 1 198 ? 3.700 -13.346 8.580 1.00 18.64 ? 539 ASP A N 1 ATOM 1479 C CA . ASP A 1 198 ? 2.884 -12.753 7.533 1.00 19.37 ? 539 ASP A CA 1 ATOM 1480 C C . ASP A 1 198 ? 3.162 -11.259 7.290 1.00 20.36 ? 539 ASP A C 1 ATOM 1481 O O . ASP A 1 198 ? 3.005 -10.772 6.172 1.00 21.30 ? 539 ASP A O 1 ATOM 1482 C CB . ASP A 1 198 ? 1.411 -12.896 7.895 1.00 20.83 ? 539 ASP A CB 1 ATOM 1483 C CG . ASP A 1 198 ? 0.966 -14.329 8.003 1.00 22.62 ? 539 ASP A CG 1 ATOM 1484 O OD1 . ASP A 1 198 ? 1.035 -15.057 6.994 1.00 26.23 ? 539 ASP A OD1 1 ATOM 1485 O OD2 . ASP A 1 198 ? 0.544 -14.737 9.098 1.00 22.94 ? 539 ASP A OD2 1 ATOM 1486 N N . VAL A 1 199 ? 3.565 -10.552 8.348 1.00 20.75 ? 540 VAL A N 1 ATOM 1487 C CA . VAL A 1 199 ? 3.848 -9.119 8.321 1.00 18.53 ? 540 VAL A CA 1 ATOM 1488 C C . VAL A 1 199 ? 5.119 -8.771 9.110 1.00 19.45 ? 540 VAL A C 1 ATOM 1489 O O . VAL A 1 199 ? 5.451 -9.452 10.087 1.00 19.30 ? 540 VAL A O 1 ATOM 1490 C CB . VAL A 1 199 ? 2.595 -8.341 8.930 1.00 18.41 ? 540 VAL A CB 1 ATOM 1491 C CG1 . VAL A 1 199 ? 2.271 -8.852 10.318 1.00 18.74 ? 540 VAL A CG1 1 ATOM 1492 C CG2 . VAL A 1 199 ? 2.848 -6.861 9.003 1.00 19.64 ? 540 VAL A CG2 1 ATOM 1493 N N . ALA A 1 200 ? 5.843 -7.747 8.645 1.00 19.54 ? 541 ALA A N 1 ATOM 1494 C CA . ALA A 1 200 ? 7.060 -7.261 9.304 1.00 18.32 ? 541 ALA A CA 1 ATOM 1495 C C . ALA A 1 200 ? 6.912 -5.753 9.484 1.00 19.07 ? 541 ALA A C 1 ATOM 1496 O O . ALA A 1 200 ? 6.393 -5.054 8.608 1.00 17.79 ? 541 ALA A O 1 ATOM 1497 C CB . ALA A 1 200 ? 8.307 -7.562 8.476 1.00 17.13 ? 541 ALA A CB 1 ATOM 1498 N N . PHE A 1 201 ? 7.367 -5.262 10.633 1.00 20.21 ? 542 PHE A N 1 ATOM 1499 C CA . PHE A 1 201 ? 7.296 -3.845 10.996 1.00 20.14 ? 542 PHE A CA 1 ATOM 1500 C C . PHE A 1 201 ? 8.722 -3.365 11.110 1.00 19.63 ? 542 PHE A C 1 ATOM 1501 O O . PHE A 1 201 ? 9.388 -3.573 12.123 1.00 19.18 ? 542 PHE A O 1 ATOM 1502 C CB . PHE A 1 201 ? 6.578 -3.709 12.333 1.00 20.58 ? 542 PHE A CB 1 ATOM 1503 C CG . PHE A 1 201 ? 5.151 -4.204 12.299 1.00 21.27 ? 542 PHE A CG 1 ATOM 1504 C CD1 . PHE A 1 201 ? 4.165 -3.489 11.621 1.00 20.69 ? 542 PHE A CD1 1 ATOM 1505 C CD2 . PHE A 1 201 ? 4.786 -5.355 13.000 1.00 20.24 ? 542 PHE A CD2 1 ATOM 1506 C CE1 . PHE A 1 201 ? 2.837 -3.913 11.634 1.00 20.18 ? 542 PHE A CE1 1 ATOM 1507 C CE2 . PHE A 1 201 ? 3.468 -5.788 13.020 1.00 21.57 ? 542 PHE A CE2 1 ATOM 1508 C CZ . PHE A 1 201 ? 2.484 -5.056 12.342 1.00 21.73 ? 542 PHE A CZ 1 ATOM 1509 N N . VAL A 1 202 ? 9.146 -2.660 10.074 1.00 19.01 ? 543 VAL A N 1 ATOM 1510 C CA . VAL A 1 202 ? 10.506 -2.172 9.939 1.00 17.68 ? 543 VAL A CA 1 ATOM 1511 C C . VAL A 1 202 ? 10.498 -0.772 9.352 1.00 17.65 ? 543 VAL A C 1 ATOM 1512 O O . VAL A 1 202 ? 9.439 -0.179 9.245 1.00 18.69 ? 543 VAL A O 1 ATOM 1513 C CB . VAL A 1 202 ? 11.229 -3.115 8.941 1.00 18.14 ? 543 VAL A CB 1 ATOM 1514 C CG1 . VAL A 1 202 ? 11.165 -4.550 9.462 1.00 16.40 ? 543 VAL A CG1 1 ATOM 1515 C CG2 . VAL A 1 202 ? 10.528 -3.031 7.544 1.00 17.29 ? 543 VAL A CG2 1 ATOM 1516 N N . LYS A 1 203 ? 11.662 -0.234 8.978 1.00 18.72 ? 544 LYS A N 1 ATOM 1517 C CA . LYS A 1 203 ? 11.663 1.091 8.368 1.00 19.33 ? 544 LYS A CA 1 ATOM 1518 C C . LYS A 1 203 ? 11.691 0.907 6.834 1.00 20.30 ? 544 LYS A C 1 ATOM 1519 O O . LYS A 1 203 ? 11.944 -0.196 6.330 1.00 20.04 ? 544 LYS A O 1 ATOM 1520 C CB . LYS A 1 203 ? 12.846 1.932 8.863 1.00 20.63 ? 544 LYS A CB 1 ATOM 1521 C CG . LYS A 1 203 ? 14.162 1.216 8.860 1.00 20.68 ? 544 LYS A CG 1 ATOM 1522 C CD . LYS A 1 203 ? 15.264 2.143 9.293 1.00 20.66 ? 544 LYS A CD 1 ATOM 1523 C CE . LYS A 1 203 ? 16.591 1.625 8.820 1.00 20.49 ? 544 LYS A CE 1 ATOM 1524 N NZ . LYS A 1 203 ? 17.634 2.619 9.143 1.00 22.73 ? 544 LYS A NZ 1 ATOM 1525 N N . ASN A 1 204 ? 11.448 1.961 6.062 1.00 20.88 ? 545 ASN A N 1 ATOM 1526 C CA . ASN A 1 204 ? 11.414 1.908 4.608 1.00 21.52 ? 545 ASN A CA 1 ATOM 1527 C C . ASN A 1 204 ? 12.705 1.437 4.070 1.00 22.73 ? 545 ASN A C 1 ATOM 1528 O O . ASN A 1 204 ? 12.773 0.646 3.202 1.00 22.61 ? 545 ASN A O 1 ATOM 1529 C CB . ASN A 1 204 ? 11.129 3.276 3.998 1.00 22.21 ? 545 ASN A CB 1 ATOM 1530 C CG . ASN A 1 204 ? 11.654 3.435 2.516 1.00 22.92 ? 545 ASN A CG 1 ATOM 1531 O OD1 . ASN A 1 204 ? 11.105 2.883 1.611 1.00 22.34 ? 545 ASN A OD1 1 ATOM 1532 N ND2 . ASN A 1 204 ? 12.682 4.208 2.321 1.00 21.13 ? 545 ASN A ND2 1 ATOM 1533 N N . ASP A 1 205 ? 13.783 1.962 4.642 1.00 23.64 ? 546 ASP A N 1 ATOM 1534 C CA . ASP A 1 205 ? 15.133 1.642 4.190 1.00 24.57 ? 546 ASP A CA 1 ATOM 1535 C C . ASP A 1 205 ? 15.425 0.142 4.167 1.00 26.06 ? 546 ASP A C 1 ATOM 1536 O O . ASP A 1 205 ? 16.066 -0.355 3.241 1.00 26.29 ? 546 ASP A O 1 ATOM 1537 C CB . ASP A 1 205 ? 16.169 2.362 5.057 1.00 26.02 ? 546 ASP A CB 1 ATOM 1538 C CG . ASP A 1 205 ? 15.986 3.867 5.056 1.00 29.42 ? 546 ASP A CG 1 ATOM 1539 O OD1 . ASP A 1 205 ? 14.921 4.338 5.506 1.00 28.00 ? 546 ASP A OD1 1 ATOM 1540 O OD2 . ASP A 1 205 ? 16.907 4.578 4.604 1.00 30.84 ? 546 ASP A OD2 1 ATOM 1541 N N . THR A 1 206 ? 14.963 -0.575 5.187 1.00 25.00 ? 547 THR A N 1 ATOM 1542 C CA . THR A 1 206 ? 15.263 -2.011 5.307 1.00 25.76 ? 547 THR A CA 1 ATOM 1543 C C . THR A 1 206 ? 14.852 -2.804 4.083 1.00 26.80 ? 547 THR A C 1 ATOM 1544 O O . THR A 1 206 ? 15.598 -3.644 3.576 1.00 27.66 ? 547 THR A O 1 ATOM 1545 C CB . THR A 1 206 ? 14.552 -2.681 6.527 1.00 25.87 ? 547 THR A CB 1 ATOM 1546 O OG1 . THR A 1 206 ? 14.838 -1.958 7.732 1.00 28.01 ? 547 THR A OG1 1 ATOM 1547 C CG2 . THR A 1 206 ? 15.037 -4.120 6.682 1.00 22.42 ? 547 THR A CG2 1 ATOM 1548 N N . VAL A 1 207 ? 13.647 -2.546 3.616 1.00 27.06 ? 548 VAL A N 1 ATOM 1549 C CA . VAL A 1 207 ? 13.166 -3.247 2.452 1.00 28.13 ? 548 VAL A CA 1 ATOM 1550 C C . VAL A 1 207 ? 14.115 -3.053 1.279 1.00 28.10 ? 548 VAL A C 1 ATOM 1551 O O . VAL A 1 207 ? 14.482 -4.019 0.630 1.00 27.19 ? 548 VAL A O 1 ATOM 1552 C CB . VAL A 1 207 ? 11.730 -2.776 2.084 1.00 27.64 ? 548 VAL A CB 1 ATOM 1553 C CG1 . VAL A 1 207 ? 11.376 -3.200 0.671 1.00 28.37 ? 548 VAL A CG1 1 ATOM 1554 C CG2 . VAL A 1 207 ? 10.730 -3.396 3.076 1.00 27.46 ? 548 VAL A CG2 1 ATOM 1555 N N . TRP A 1 208 ? 14.551 -1.816 1.050 1.00 29.69 ? 549 TRP A N 1 ATOM 1556 C CA . TRP A 1 208 ? 15.459 -1.500 -0.049 1.00 30.43 ? 549 TRP A CA 1 ATOM 1557 C C . TRP A 1 208 ? 16.850 -2.068 0.052 1.00 31.16 ? 549 TRP A C 1 ATOM 1558 O O . TRP A 1 208 ? 17.432 -2.499 -0.949 1.00 31.69 ? 549 TRP A O 1 ATOM 1559 C CB . TRP A 1 208 ? 15.572 0.006 -0.213 1.00 30.72 ? 549 TRP A CB 1 ATOM 1560 C CG . TRP A 1 208 ? 14.324 0.589 -0.713 1.00 31.70 ? 549 TRP A CG 1 ATOM 1561 C CD1 . TRP A 1 208 ? 13.171 0.774 -0.013 1.00 31.69 ? 549 TRP A CD1 1 ATOM 1562 C CD2 . TRP A 1 208 ? 14.051 0.988 -2.057 1.00 33.02 ? 549 TRP A CD2 1 ATOM 1563 N NE1 . TRP A 1 208 ? 12.192 1.267 -0.839 1.00 31.11 ? 549 TRP A NE1 1 ATOM 1564 C CE2 . TRP A 1 208 ? 12.708 1.418 -2.097 1.00 32.63 ? 549 TRP A CE2 1 ATOM 1565 C CE3 . TRP A 1 208 ? 14.816 1.038 -3.232 1.00 33.28 ? 549 TRP A CE3 1 ATOM 1566 C CZ2 . TRP A 1 208 ? 12.104 1.871 -3.273 1.00 32.32 ? 549 TRP A CZ2 1 ATOM 1567 C CZ3 . TRP A 1 208 ? 14.215 1.485 -4.398 1.00 31.87 ? 549 TRP A CZ3 1 ATOM 1568 C CH2 . TRP A 1 208 ? 12.873 1.906 -4.406 1.00 33.00 ? 549 TRP A CH2 1 ATOM 1569 N N . GLU A 1 209 ? 17.369 -2.090 1.269 1.00 32.26 ? 550 GLU A N 1 ATOM 1570 C CA . GLU A 1 209 ? 18.701 -2.590 1.506 1.00 32.56 ? 550 GLU A CA 1 ATOM 1571 C C . GLU A 1 209 ? 18.903 -4.104 1.477 1.00 32.02 ? 550 GLU A C 1 ATOM 1572 O O . GLU A 1 209 ? 20.039 -4.551 1.315 1.00 32.36 ? 550 GLU A O 1 ATOM 1573 C CB . GLU A 1 209 ? 19.232 -1.955 2.802 1.00 34.71 ? 550 GLU A CB 1 ATOM 1574 C CG . GLU A 1 209 ? 19.671 -0.489 2.598 1.00 38.33 ? 550 GLU A CG 1 ATOM 1575 C CD . GLU A 1 209 ? 19.794 0.313 3.885 1.00 40.54 ? 550 GLU A CD 1 ATOM 1576 O OE1 . GLU A 1 209 ? 19.991 -0.295 4.962 1.00 39.88 ? 550 GLU A OE1 1 ATOM 1577 O OE2 . GLU A 1 209 ? 19.701 1.559 3.806 1.00 40.57 ? 550 GLU A OE2 1 ATOM 1578 N N . ASN A 1 210 ? 17.837 -4.893 1.624 1.00 30.96 ? 551 ASN A N 1 ATOM 1579 C CA . ASN A 1 210 ? 17.993 -6.348 1.553 1.00 30.94 ? 551 ASN A CA 1 ATOM 1580 C C . ASN A 1 210 ? 17.302 -6.982 0.335 1.00 32.01 ? 551 ASN A C 1 ATOM 1581 O O . ASN A 1 210 ? 16.941 -8.164 0.352 1.00 32.02 ? 551 ASN A O 1 ATOM 1582 C CB . ASN A 1 210 ? 17.513 -7.049 2.836 1.00 29.84 ? 551 ASN A CB 1 ATOM 1583 C CG . ASN A 1 210 ? 18.225 -6.545 4.079 1.00 28.55 ? 551 ASN A CG 1 ATOM 1584 O OD1 . ASN A 1 210 ? 17.785 -5.584 4.694 1.00 28.89 ? 551 ASN A OD1 1 ATOM 1585 N ND2 . ASN A 1 210 ? 19.346 -7.171 4.433 1.00 28.11 ? 551 ASN A ND2 1 ATOM 1586 N N . THR A 1 211 ? 17.134 -6.195 -0.727 1.00 32.62 ? 552 THR A N 1 ATOM 1587 C CA . THR A 1 211 ? 16.535 -6.692 -1.966 1.00 33.53 ? 552 THR A CA 1 ATOM 1588 C C . THR A 1 211 ? 17.343 -6.290 -3.212 1.00 35.27 ? 552 THR A C 1 ATOM 1589 O O . THR A 1 211 ? 18.239 -5.451 -3.151 1.00 35.08 ? 552 THR A O 1 ATOM 1590 C CB . THR A 1 211 ? 15.106 -6.185 -2.169 1.00 31.90 ? 552 THR A CB 1 ATOM 1591 O OG1 . THR A 1 211 ? 15.096 -4.753 -2.122 1.00 31.05 ? 552 THR A OG1 1 ATOM 1592 C CG2 . THR A 1 211 ? 14.184 -6.757 -1.108 1.00 29.24 ? 552 THR A CG2 1 ATOM 1593 N N . ASN A 1 212 ? 17.003 -6.917 -4.336 1.00 37.43 ? 553 ASN A N 1 ATOM 1594 C CA . ASN A 1 212 ? 17.637 -6.696 -5.638 1.00 39.69 ? 553 ASN A CA 1 ATOM 1595 C C . ASN A 1 212 ? 19.174 -6.804 -5.653 1.00 40.70 ? 553 ASN A C 1 ATOM 1596 O O . ASN A 1 212 ? 19.852 -6.139 -6.441 1.00 40.24 ? 553 ASN A O 1 ATOM 1597 C CB . ASN A 1 212 ? 17.164 -5.342 -6.209 1.00 40.15 ? 553 ASN A CB 1 ATOM 1598 C CG . ASN A 1 212 ? 15.634 -5.286 -6.428 1.00 42.43 ? 553 ASN A CG 1 ATOM 1599 O OD1 . ASN A 1 212 ? 14.869 -5.940 -5.711 1.00 42.49 ? 553 ASN A OD1 1 ATOM 1600 N ND2 . ASN A 1 212 ? 15.192 -4.486 -7.401 1.00 43.68 ? 553 ASN A ND2 1 ATOM 1601 N N . GLY A 1 213 ? 19.706 -7.659 -4.781 1.00 41.87 ? 554 GLY A N 1 ATOM 1602 C CA . GLY A 1 213 ? 21.140 -7.874 -4.723 1.00 42.97 ? 554 GLY A CA 1 ATOM 1603 C C . GLY A 1 213 ? 21.977 -6.906 -3.918 1.00 43.71 ? 554 GLY A C 1 ATOM 1604 O O . GLY A 1 213 ? 23.210 -6.927 -3.998 1.00 44.31 ? 554 GLY A O 1 ATOM 1605 N N . GLU A 1 214 ? 21.306 -6.030 -3.175 1.00 44.29 ? 555 GLU A N 1 ATOM 1606 C CA . GLU A 1 214 ? 21.985 -5.036 -2.348 1.00 44.72 ? 555 GLU A CA 1 ATOM 1607 C C . GLU A 1 214 ? 22.535 -5.773 -1.119 1.00 44.85 ? 555 GLU A C 1 ATOM 1608 O O . GLU A 1 214 ? 23.433 -5.284 -0.430 1.00 44.73 ? 555 GLU A O 1 ATOM 1609 C CB . GLU A 1 214 ? 21.018 -3.910 -1.962 1.00 45.55 ? 555 GLU A CB 1 ATOM 1610 C CG . GLU A 1 214 ? 20.642 -2.976 -3.126 1.00 45.93 ? 555 GLU A CG 1 ATOM 1611 C CD . GLU A 1 214 ? 21.689 -1.907 -3.424 1.00 46.55 ? 555 GLU A CD 1 ATOM 1612 O OE1 . GLU A 1 214 ? 22.464 -1.554 -2.512 1.00 45.85 ? 555 GLU A OE1 1 ATOM 1613 O OE2 . GLU A 1 214 ? 21.716 -1.402 -4.566 1.00 47.77 ? 555 GLU A OE2 1 ATOM 1614 N N . SER A 1 215 ? 21.971 -6.948 -0.840 1.00 45.09 ? 556 SER A N 1 ATOM 1615 C CA . SER A 1 215 ? 22.459 -7.796 0.251 1.00 45.69 ? 556 SER A CA 1 ATOM 1616 C C . SER A 1 215 ? 22.878 -9.146 -0.395 1.00 46.48 ? 556 SER A C 1 ATOM 1617 O O . SER A 1 215 ? 22.118 -9.754 -1.163 1.00 46.36 ? 556 SER A O 1 ATOM 1618 C CB . SER A 1 215 ? 21.388 -8.056 1.324 1.00 45.58 ? 556 SER A CB 1 ATOM 1619 O OG . SER A 1 215 ? 21.791 -9.092 2.216 1.00 45.57 ? 556 SER A OG 1 ATOM 1620 N N . THR A 1 216 ? 24.107 -9.582 -0.115 1.00 47.52 ? 557 THR A N 1 ATOM 1621 C CA . THR A 1 216 ? 24.635 -10.844 -0.640 1.00 48.43 ? 557 THR A CA 1 ATOM 1622 C C . THR A 1 216 ? 24.452 -11.979 0.376 1.00 48.54 ? 557 THR A C 1 ATOM 1623 O O . THR A 1 216 ? 25.147 -12.994 0.306 1.00 49.27 ? 557 THR A O 1 ATOM 1624 C CB . THR A 1 216 ? 26.143 -10.758 -0.971 1.00 49.08 ? 557 THR A CB 1 ATOM 1625 O OG1 . THR A 1 216 ? 26.840 -10.154 0.126 1.00 49.72 ? 557 THR A OG1 1 ATOM 1626 C CG2 . THR A 1 216 ? 26.369 -9.962 -2.248 1.00 49.36 ? 557 THR A CG2 1 ATOM 1627 N N . ALA A 1 217 ? 23.533 -11.810 1.325 1.00 48.24 ? 558 ALA A N 1 ATOM 1628 C CA . ALA A 1 217 ? 23.280 -12.849 2.334 1.00 47.51 ? 558 ALA A CA 1 ATOM 1629 C C . ALA A 1 217 ? 22.434 -13.948 1.665 1.00 46.81 ? 558 ALA A C 1 ATOM 1630 O O . ALA A 1 217 ? 21.704 -13.661 0.714 1.00 47.37 ? 558 ALA A O 1 ATOM 1631 C CB . ALA A 1 217 ? 22.528 -12.246 3.533 1.00 47.32 ? 558 ALA A CB 1 ATOM 1632 N N . ASP A 1 218 ? 22.524 -15.192 2.143 1.00 45.55 ? 559 ASP A N 1 ATOM 1633 C CA . ASP A 1 218 ? 21.766 -16.304 1.541 1.00 44.80 ? 559 ASP A CA 1 ATOM 1634 C C . ASP A 1 218 ? 20.241 -16.180 1.556 1.00 43.20 ? 559 ASP A C 1 ATOM 1635 O O . ASP A 1 218 ? 19.587 -16.547 0.584 1.00 43.29 ? 559 ASP A O 1 ATOM 1636 C CB . ASP A 1 218 ? 22.140 -17.650 2.191 1.00 46.85 ? 559 ASP A CB 1 ATOM 1637 C CG . ASP A 1 218 ? 21.238 -18.806 1.724 1.00 49.02 ? 559 ASP A CG 1 ATOM 1638 O OD1 . ASP A 1 218 ? 21.378 -19.266 0.567 1.00 50.63 ? 559 ASP A OD1 1 ATOM 1639 O OD2 . ASP A 1 218 ? 20.377 -19.246 2.518 1.00 50.10 ? 559 ASP A OD2 1 ATOM 1640 N N . TRP A 1 219 ? 19.661 -15.668 2.634 1.00 41.50 ? 560 TRP A N 1 ATOM 1641 C CA . TRP A 1 219 ? 18.207 -15.542 2.699 1.00 39.67 ? 560 TRP A CA 1 ATOM 1642 C C . TRP A 1 219 ? 17.654 -14.386 1.867 1.00 39.20 ? 560 TRP A C 1 ATOM 1643 O O . TRP A 1 219 ? 16.490 -14.409 1.456 1.00 39.03 ? 560 TRP A O 1 ATOM 1644 C CB . TRP A 1 219 ? 17.736 -15.348 4.154 1.00 38.75 ? 560 TRP A CB 1 ATOM 1645 C CG . TRP A 1 219 ? 18.251 -14.098 4.842 1.00 37.72 ? 560 TRP A CG 1 ATOM 1646 C CD1 . TRP A 1 219 ? 19.434 -13.958 5.516 1.00 38.12 ? 560 TRP A CD1 1 ATOM 1647 C CD2 . TRP A 1 219 ? 17.606 -12.819 4.898 1.00 37.10 ? 560 TRP A CD2 1 ATOM 1648 N NE1 . TRP A 1 219 ? 19.558 -12.680 6.000 1.00 37.81 ? 560 TRP A NE1 1 ATOM 1649 C CE2 . TRP A 1 219 ? 18.443 -11.963 5.653 1.00 37.96 ? 560 TRP A CE2 1 ATOM 1650 C CE3 . TRP A 1 219 ? 16.384 -12.324 4.424 1.00 35.98 ? 560 TRP A CE3 1 ATOM 1651 C CZ2 . TRP A 1 219 ? 18.120 -10.620 5.894 1.00 36.62 ? 560 TRP A CZ2 1 ATOM 1652 C CZ3 . TRP A 1 219 ? 16.064 -10.989 4.668 1.00 35.85 ? 560 TRP A CZ3 1 ATOM 1653 C CH2 . TRP A 1 219 ? 16.921 -10.162 5.417 1.00 35.46 ? 560 TRP A CH2 1 ATOM 1654 N N . ALA A 1 220 ? 18.500 -13.402 1.581 1.00 38.13 ? 561 ALA A N 1 ATOM 1655 C CA . ALA A 1 220 ? 18.085 -12.213 0.849 1.00 37.91 ? 561 ALA A CA 1 ATOM 1656 C C . ALA A 1 220 ? 18.569 -12.012 -0.587 1.00 38.23 ? 561 ALA A C 1 ATOM 1657 O O . ALA A 1 220 ? 17.941 -11.270 -1.346 1.00 37.52 ? 561 ALA A O 1 ATOM 1658 C CB . ALA A 1 220 ? 18.457 -10.977 1.708 1.00 37.09 ? 561 ALA A CB 1 ATOM 1659 N N . LYS A 1 221 ? 19.666 -12.673 -0.956 1.00 38.81 ? 562 LYS A N 1 ATOM 1660 C CA . LYS A 1 221 ? 20.242 -12.538 -2.296 1.00 39.64 ? 562 LYS A CA 1 ATOM 1661 C C . LYS A 1 221 ? 19.214 -12.701 -3.426 1.00 40.09 ? 562 LYS A C 1 ATOM 1662 O O . LYS A 1 221 ? 19.305 -12.017 -4.449 1.00 40.45 ? 562 LYS A O 1 ATOM 1663 C CB . LYS A 1 221 ? 21.434 -13.508 -2.465 1.00 40.73 ? 562 LYS A CB 1 ATOM 1664 C CG . LYS A 1 221 ? 21.119 -14.991 -2.499 1.00 41.56 ? 562 LYS A CG 1 ATOM 1665 C CD . LYS A 1 221 ? 22.388 -15.803 -2.777 1.00 42.09 ? 562 LYS A CD 1 ATOM 1666 C CE . LYS A 1 221 ? 22.089 -17.284 -2.911 1.00 43.24 ? 562 LYS A CE 1 ATOM 1667 N NZ . LYS A 1 221 ? 23.235 -18.119 -2.441 1.00 43.36 ? 562 LYS A NZ 1 ATOM 1668 N N . ASN A 1 222 ? 18.233 -13.585 -3.246 1.00 39.56 ? 563 ASN A N 1 ATOM 1669 C CA . ASN A 1 222 ? 17.184 -13.760 -4.255 1.00 39.89 ? 563 ASN A CA 1 ATOM 1670 C C . ASN A 1 222 ? 15.883 -12.977 -3.944 1.00 39.69 ? 563 ASN A C 1 ATOM 1671 O O . ASN A 1 222 ? 14.795 -13.382 -4.369 1.00 39.31 ? 563 ASN A O 1 ATOM 1672 C CB . ASN A 1 222 ? 16.835 -15.240 -4.446 1.00 41.04 ? 563 ASN A CB 1 ATOM 1673 C CG . ASN A 1 222 ? 17.402 -15.803 -5.732 1.00 41.52 ? 563 ASN A CG 1 ATOM 1674 O OD1 . ASN A 1 222 ? 18.616 -15.868 -5.909 1.00 42.59 ? 563 ASN A OD1 1 ATOM 1675 N ND2 . ASN A 1 222 ? 16.527 -16.184 -6.647 1.00 42.52 ? 563 ASN A ND2 1 ATOM 1676 N N . LEU A 1 223 ? 15.966 -11.860 -3.224 1.00 39.08 ? 564 LEU A N 1 ATOM 1677 C CA . LEU A 1 223 ? 14.746 -11.103 -2.943 1.00 38.27 ? 564 LEU A CA 1 ATOM 1678 C C . LEU A 1 223 ? 14.559 -9.913 -3.891 1.00 38.55 ? 564 LEU A C 1 ATOM 1679 O O . LEU A 1 223 ? 15.508 -9.193 -4.229 1.00 38.85 ? 564 LEU A O 1 ATOM 1680 C CB . LEU A 1 223 ? 14.707 -10.631 -1.470 1.00 37.28 ? 564 LEU A CB 1 ATOM 1681 C CG . LEU A 1 223 ? 14.574 -11.730 -0.385 1.00 36.83 ? 564 LEU A CG 1 ATOM 1682 C CD1 . LEU A 1 223 ? 14.771 -11.140 1.007 1.00 36.31 ? 564 LEU A CD1 1 ATOM 1683 C CD2 . LEU A 1 223 ? 13.206 -12.392 -0.478 1.00 36.44 ? 564 LEU A CD2 1 ATOM 1684 N N . LYS A 1 224 ? 13.321 -9.743 -4.346 1.00 38.00 ? 565 LYS A N 1 ATOM 1685 C CA . LYS A 1 224 ? 12.957 -8.655 -5.250 1.00 37.18 ? 565 LYS A CA 1 ATOM 1686 C C . LYS A 1 224 ? 11.787 -7.835 -4.664 1.00 36.37 ? 565 LYS A C 1 ATOM 1687 O O . LYS A 1 224 ? 10.833 -8.382 -4.097 1.00 36.16 ? 565 LYS A O 1 ATOM 1688 C CB . LYS A 1 224 ? 12.620 -9.245 -6.645 1.00 38.25 ? 565 LYS A CB 1 ATOM 1689 C CG . LYS A 1 224 ? 11.690 -8.443 -7.588 1.00 38.12 ? 565 LYS A CG 1 ATOM 1690 C CD . LYS A 1 224 ? 12.164 -7.025 -7.899 1.00 39.51 ? 565 LYS A CD 1 ATOM 1691 C CE . LYS A 1 224 ? 11.110 -6.260 -8.711 1.00 40.23 ? 565 LYS A CE 1 ATOM 1692 N NZ . LYS A 1 224 ? 11.082 -4.795 -8.420 1.00 40.25 ? 565 LYS A NZ 1 ATOM 1693 N N . ARG A 1 225 ? 11.916 -6.512 -4.766 1.00 36.14 ? 566 ARG A N 1 ATOM 1694 C CA . ARG A 1 225 ? 10.939 -5.529 -4.283 1.00 36.05 ? 566 ARG A CA 1 ATOM 1695 C C . ARG A 1 225 ? 9.491 -5.747 -4.740 1.00 36.51 ? 566 ARG A C 1 ATOM 1696 O O . ARG A 1 225 ? 8.563 -5.579 -3.948 1.00 36.61 ? 566 ARG A O 1 ATOM 1697 C CB . ARG A 1 225 ? 11.397 -4.130 -4.705 1.00 35.95 ? 566 ARG A CB 1 ATOM 1698 C CG . ARG A 1 225 ? 12.539 -3.624 -3.869 1.00 36.56 ? 566 ARG A CG 1 ATOM 1699 C CD . ARG A 1 225 ? 13.434 -2.673 -4.620 1.00 34.93 ? 566 ARG A CD 1 ATOM 1700 N NE . ARG A 1 225 ? 14.721 -2.601 -3.944 1.00 35.37 ? 566 ARG A NE 1 ATOM 1701 C CZ . ARG A 1 225 ? 15.780 -1.963 -4.418 1.00 35.50 ? 566 ARG A CZ 1 ATOM 1702 N NH1 . ARG A 1 225 ? 15.711 -1.335 -5.582 1.00 35.78 ? 566 ARG A NH1 1 ATOM 1703 N NH2 . ARG A 1 225 ? 16.906 -1.950 -3.720 1.00 34.71 ? 566 ARG A NH2 1 ATOM 1704 N N . GLU A 1 226 ? 9.296 -6.095 -6.014 1.00 36.66 ? 567 GLU A N 1 ATOM 1705 C CA . GLU A 1 226 ? 7.949 -6.313 -6.559 1.00 36.42 ? 567 GLU A CA 1 ATOM 1706 C C . GLU A 1 226 ? 7.235 -7.421 -5.795 1.00 35.24 ? 567 GLU A C 1 ATOM 1707 O O . GLU A 1 226 ? 6.004 -7.444 -5.747 1.00 35.86 ? 567 GLU A O 1 ATOM 1708 C CB . GLU A 1 226 ? 8.007 -6.663 -8.063 1.00 37.11 ? 567 GLU A CB 1 ATOM 1709 C CG . GLU A 1 226 ? 6.659 -7.077 -8.722 1.00 38.78 ? 567 GLU A CG 1 ATOM 1710 C CD . GLU A 1 226 ? 5.499 -6.094 -8.511 1.00 40.01 ? 567 GLU A CD 1 ATOM 1711 O OE1 . GLU A 1 226 ? 4.335 -6.537 -8.641 1.00 40.10 ? 567 GLU A OE1 1 ATOM 1712 O OE2 . GLU A 1 226 ? 5.735 -4.896 -8.235 1.00 40.65 ? 567 GLU A OE2 1 ATOM 1713 N N . ASP A 1 227 ? 8.006 -8.319 -5.182 1.00 34.06 ? 568 ASP A N 1 ATOM 1714 C CA . ASP A 1 227 ? 7.432 -9.420 -4.424 1.00 32.68 ? 568 ASP A CA 1 ATOM 1715 C C . ASP A 1 227 ? 6.962 -9.002 -3.029 1.00 31.34 ? 568 ASP A C 1 ATOM 1716 O O . ASP A 1 227 ? 6.475 -9.824 -2.249 1.00 30.79 ? 568 ASP A O 1 ATOM 1717 C CB . ASP A 1 227 ? 8.425 -10.594 -4.384 1.00 33.72 ? 568 ASP A CB 1 ATOM 1718 C CG . ASP A 1 227 ? 8.571 -11.272 -5.754 1.00 35.42 ? 568 ASP A CG 1 ATOM 1719 O OD1 . ASP A 1 227 ? 7.935 -10.810 -6.721 1.00 35.99 ? 568 ASP A OD1 1 ATOM 1720 O OD2 . ASP A 1 227 ? 9.317 -12.262 -5.870 1.00 37.19 ? 568 ASP A OD2 1 ATOM 1721 N N . PHE A 1 228 ? 7.097 -7.713 -2.726 1.00 29.66 ? 569 PHE A N 1 ATOM 1722 C CA . PHE A 1 228 ? 6.631 -7.181 -1.446 1.00 28.40 ? 569 PHE A CA 1 ATOM 1723 C C . PHE A 1 228 ? 5.666 -6.021 -1.661 1.00 27.58 ? 569 PHE A C 1 ATOM 1724 O O . PHE A 1 228 ? 5.640 -5.377 -2.715 1.00 29.49 ? 569 PHE A O 1 ATOM 1725 C CB . PHE A 1 228 ? 7.781 -6.659 -0.589 1.00 27.24 ? 569 PHE A CB 1 ATOM 1726 C CG . PHE A 1 228 ? 8.753 -7.706 -0.168 1.00 26.83 ? 569 PHE A CG 1 ATOM 1727 C CD1 . PHE A 1 228 ? 8.486 -8.536 0.914 1.00 26.35 ? 569 PHE A CD1 1 ATOM 1728 C CD2 . PHE A 1 228 ? 9.916 -7.902 -0.894 1.00 27.20 ? 569 PHE A CD2 1 ATOM 1729 C CE1 . PHE A 1 228 ? 9.380 -9.539 1.272 1.00 28.20 ? 569 PHE A CE1 1 ATOM 1730 C CE2 . PHE A 1 228 ? 10.815 -8.898 -0.547 1.00 27.01 ? 569 PHE A CE2 1 ATOM 1731 C CZ . PHE A 1 228 ? 10.545 -9.726 0.533 1.00 27.59 ? 569 PHE A CZ 1 ATOM 1732 N N . ARG A 1 229 ? 4.844 -5.786 -0.652 1.00 26.22 ? 570 ARG A N 1 ATOM 1733 C CA . ARG A 1 229 ? 3.894 -4.690 -0.680 1.00 25.26 ? 570 ARG A CA 1 ATOM 1734 C C . ARG A 1 229 ? 3.904 -4.018 0.704 1.00 24.95 ? 570 ARG A C 1 ATOM 1735 O O . ARG A 1 229 ? 4.486 -4.541 1.658 1.00 25.29 ? 570 ARG A O 1 ATOM 1736 C CB . ARG A 1 229 ? 2.498 -5.192 -1.045 1.00 25.48 ? 570 ARG A CB 1 ATOM 1737 C CG . ARG A 1 229 ? 2.382 -5.589 -2.502 1.00 25.97 ? 570 ARG A CG 1 ATOM 1738 C CD . ARG A 1 229 ? 2.156 -4.361 -3.380 1.00 26.25 ? 570 ARG A CD 1 ATOM 1739 N NE . ARG A 1 229 ? 1.918 -4.681 -4.787 1.00 28.50 ? 570 ARG A NE 1 ATOM 1740 C CZ . ARG A 1 229 ? 2.861 -4.973 -5.679 1.00 29.51 ? 570 ARG A CZ 1 ATOM 1741 N NH1 . ARG A 1 229 ? 4.139 -4.989 -5.335 1.00 29.12 ? 570 ARG A NH1 1 ATOM 1742 N NH2 . ARG A 1 229 ? 2.516 -5.229 -6.931 1.00 30.63 ? 570 ARG A NH2 1 ATOM 1743 N N . LEU A 1 230 ? 3.291 -2.843 0.797 1.00 24.48 ? 571 LEU A N 1 ATOM 1744 C CA . LEU A 1 230 ? 3.226 -2.079 2.046 1.00 23.37 ? 571 LEU A CA 1 ATOM 1745 C C . LEU A 1 230 ? 1.766 -1.996 2.495 1.00 23.39 ? 571 LEU A C 1 ATOM 1746 O O . LEU A 1 230 ? 0.860 -1.956 1.659 1.00 23.05 ? 571 LEU A O 1 ATOM 1747 C CB . LEU A 1 230 ? 3.751 -0.645 1.833 1.00 22.73 ? 571 LEU A CB 1 ATOM 1748 C CG . LEU A 1 230 ? 5.162 -0.376 1.284 1.00 22.27 ? 571 LEU A CG 1 ATOM 1749 C CD1 . LEU A 1 230 ? 5.280 1.081 0.899 1.00 22.13 ? 571 LEU A CD1 1 ATOM 1750 C CD2 . LEU A 1 230 ? 6.204 -0.723 2.313 1.00 21.56 ? 571 LEU A CD2 1 ATOM 1751 N N . LEU A 1 231 ? 1.522 -1.964 3.800 1.00 23.70 ? 572 LEU A N 1 ATOM 1752 C CA . LEU A 1 231 ? 0.147 -1.876 4.274 1.00 24.47 ? 572 LEU A CA 1 ATOM 1753 C C . LEU A 1 231 ? -0.172 -0.470 4.806 1.00 25.86 ? 572 LEU A C 1 ATOM 1754 O O . LEU A 1 231 ? 0.379 -0.022 5.818 1.00 26.88 ? 572 LEU A O 1 ATOM 1755 C CB . LEU A 1 231 ? -0.110 -2.945 5.352 1.00 22.84 ? 572 LEU A CB 1 ATOM 1756 C CG . LEU A 1 231 ? 0.137 -4.422 4.984 1.00 21.14 ? 572 LEU A CG 1 ATOM 1757 C CD1 . LEU A 1 231 ? -0.175 -5.314 6.175 1.00 19.98 ? 572 LEU A CD1 1 ATOM 1758 C CD2 . LEU A 1 231 ? -0.733 -4.816 3.805 1.00 21.00 ? 572 LEU A CD2 1 ATOM 1759 N N . CYS A 1 232 ? -1.059 0.234 4.111 1.00 26.91 ? 573 CYS A N 1 ATOM 1760 C CA . CYS A 1 232 ? -1.421 1.570 4.547 1.00 27.05 ? 573 CYS A CA 1 ATOM 1761 C C . CYS A 1 232 ? -2.591 1.480 5.506 1.00 28.53 ? 573 CYS A C 1 ATOM 1762 O O . CYS A 1 232 ? -3.288 0.466 5.557 1.00 29.07 ? 573 CYS A O 1 ATOM 1763 C CB . CYS A 1 232 ? -1.764 2.483 3.351 1.00 25.53 ? 573 CYS A CB 1 ATOM 1764 S SG . CYS A 1 232 ? -0.889 2.064 1.790 1.00 23.83 ? 573 CYS A SG 1 ATOM 1765 N N . LEU A 1 233 ? -2.783 2.558 6.261 1.00 29.99 ? 574 LEU A N 1 ATOM 1766 C CA . LEU A 1 233 ? -3.833 2.674 7.270 1.00 31.99 ? 574 LEU A CA 1 ATOM 1767 C C . LEU A 1 233 ? -5.262 2.812 6.745 1.00 32.62 ? 574 LEU A C 1 ATOM 1768 O O . LEU A 1 233 ? -6.218 2.642 7.505 1.00 33.80 ? 574 LEU A O 1 ATOM 1769 C CB . LEU A 1 233 ? -3.486 3.831 8.239 1.00 31.65 ? 574 LEU A CB 1 ATOM 1770 C CG . LEU A 1 233 ? -2.165 3.726 9.033 1.00 30.83 ? 574 LEU A CG 1 ATOM 1771 C CD1 . LEU A 1 233 ? -1.911 4.995 9.829 1.00 30.94 ? 574 LEU A CD1 1 ATOM 1772 C CD2 . LEU A 1 233 ? -2.241 2.542 9.975 1.00 31.20 ? 574 LEU A CD2 1 ATOM 1773 N N . ASP A 1 234 ? -5.398 3.130 5.455 1.00 33.21 ? 575 ASP A N 1 ATOM 1774 C CA . ASP A 1 234 ? -6.716 3.261 4.830 1.00 33.33 ? 575 ASP A CA 1 ATOM 1775 C C . ASP A 1 234 ? -7.201 1.872 4.380 1.00 33.80 ? 575 ASP A C 1 ATOM 1776 O O . ASP A 1 234 ? -8.381 1.677 4.054 1.00 34.37 ? 575 ASP A O 1 ATOM 1777 C CB . ASP A 1 234 ? -6.694 4.249 3.654 1.00 32.82 ? 575 ASP A CB 1 ATOM 1778 C CG . ASP A 1 234 ? -5.788 3.823 2.534 1.00 32.54 ? 575 ASP A CG 1 ATOM 1779 O OD1 . ASP A 1 234 ? -5.379 2.647 2.495 1.00 30.86 ? 575 ASP A OD1 1 ATOM 1780 O OD2 . ASP A 1 234 ? -5.504 4.684 1.667 1.00 32.06 ? 575 ASP A OD2 1 ATOM 1781 N N . GLY A 1 235 ? -6.274 0.914 4.357 1.00 33.04 ? 576 GLY A N 1 ATOM 1782 C CA . GLY A 1 235 ? -6.633 -0.443 3.999 1.00 31.70 ? 576 GLY A CA 1 ATOM 1783 C C . GLY A 1 235 ? -6.188 -0.970 2.670 1.00 31.18 ? 576 GLY A C 1 ATOM 1784 O O . GLY A 1 235 ? -6.466 -2.125 2.345 1.00 30.82 ? 576 GLY A O 1 ATOM 1785 N N . THR A 1 236 ? -5.537 -0.111 1.897 1.00 30.46 ? 577 THR A N 1 ATOM 1786 C CA . THR A 1 236 ? -5.046 -0.475 0.577 1.00 29.17 ? 577 THR A CA 1 ATOM 1787 C C . THR A 1 236 ? -3.624 -0.995 0.746 1.00 30.08 ? 577 THR A C 1 ATOM 1788 O O . THR A 1 236 ? -3.055 -0.945 1.841 1.00 30.25 ? 577 THR A O 1 ATOM 1789 C CB . THR A 1 236 ? -4.976 0.734 -0.393 1.00 28.98 ? 577 THR A CB 1 ATOM 1790 O OG1 . THR A 1 236 ? -4.119 1.740 0.156 1.00 28.49 ? 577 THR A OG1 1 ATOM 1791 C CG2 . THR A 1 236 ? -6.346 1.322 -0.630 1.00 28.60 ? 577 THR A CG2 1 ATOM 1792 N N . ARG A 1 237 ? -3.062 -1.488 -0.354 1.00 29.66 ? 578 ARG A N 1 ATOM 1793 C CA . ARG A 1 237 ? -1.707 -2.031 -0.413 1.00 28.54 ? 578 ARG A CA 1 ATOM 1794 C C . ARG A 1 237 ? -1.012 -1.257 -1.501 1.00 27.93 ? 578 ARG A C 1 ATOM 1795 O O . ARG A 1 237 ? -1.622 -0.902 -2.500 1.00 29.51 ? 578 ARG A O 1 ATOM 1796 C CB . ARG A 1 237 ? -1.733 -3.514 -0.785 1.00 29.01 ? 578 ARG A CB 1 ATOM 1797 C CG . ARG A 1 237 ? -2.154 -4.424 0.340 1.00 29.62 ? 578 ARG A CG 1 ATOM 1798 C CD . ARG A 1 237 ? -2.906 -5.633 -0.197 1.00 31.35 ? 578 ARG A CD 1 ATOM 1799 N NE . ARG A 1 237 ? -2.099 -6.492 -1.063 1.00 31.14 ? 578 ARG A NE 1 ATOM 1800 C CZ . ARG A 1 237 ? -1.564 -7.650 -0.682 1.00 31.75 ? 578 ARG A CZ 1 ATOM 1801 N NH1 . ARG A 1 237 ? -1.744 -8.099 0.558 1.00 32.87 ? 578 ARG A NH1 1 ATOM 1802 N NH2 . ARG A 1 237 ? -0.866 -8.371 -1.547 1.00 31.02 ? 578 ARG A NH2 1 ATOM 1803 N N . LYS A 1 238 ? 0.288 -1.061 -1.337 1.00 27.55 ? 579 LYS A N 1 ATOM 1804 C CA . LYS A 1 238 ? 1.076 -0.271 -2.278 1.00 28.08 ? 579 LYS A CA 1 ATOM 1805 C C . LYS A 1 238 ? 2.461 -0.844 -2.520 1.00 28.08 ? 579 LYS A C 1 ATOM 1806 O O . LYS A 1 238 ? 2.946 -1.630 -1.690 1.00 27.55 ? 579 LYS A O 1 ATOM 1807 C CB . LYS A 1 238 ? 1.282 1.111 -1.716 1.00 28.00 ? 579 LYS A CB 1 ATOM 1808 C CG . LYS A 1 238 ? 0.102 2.050 -1.643 1.00 29.15 ? 579 LYS A CG 1 ATOM 1809 C CD . LYS A 1 238 ? 0.223 3.120 -2.706 1.00 31.66 ? 579 LYS A CD 1 ATOM 1810 C CE . LYS A 1 238 ? -0.887 4.150 -2.598 1.00 32.43 ? 579 LYS A CE 1 ATOM 1811 N NZ . LYS A 1 238 ? -0.665 5.091 -1.466 1.00 30.91 ? 579 LYS A NZ 1 ATOM 1812 N N . PRO A 1 239 ? 3.095 -0.501 -3.674 1.00 28.60 ? 580 PRO A N 1 ATOM 1813 C CA . PRO A 1 239 ? 4.436 -1.017 -3.971 1.00 29.05 ? 580 PRO A CA 1 ATOM 1814 C C . PRO A 1 239 ? 5.353 -0.358 -2.916 1.00 30.23 ? 580 PRO A C 1 ATOM 1815 O O . PRO A 1 239 ? 4.966 0.645 -2.260 1.00 30.90 ? 580 PRO A O 1 ATOM 1816 C CB . PRO A 1 239 ? 4.714 -0.466 -5.350 1.00 27.96 ? 580 PRO A CB 1 ATOM 1817 C CG . PRO A 1 239 ? 3.382 -0.354 -5.941 1.00 28.09 ? 580 PRO A CG 1 ATOM 1818 C CD . PRO A 1 239 ? 2.455 0.101 -4.787 1.00 28.58 ? 580 PRO A CD 1 ATOM 1819 N N . VAL A 1 240 ? 6.589 -0.849 -2.818 1.00 31.28 ? 581 VAL A N 1 ATOM 1820 C CA . VAL A 1 240 ? 7.570 -0.349 -1.859 1.00 30.70 ? 581 VAL A CA 1 ATOM 1821 C C . VAL A 1 240 ? 8.246 0.924 -2.287 1.00 30.35 ? 581 VAL A C 1 ATOM 1822 O O . VAL A 1 240 ? 9.173 1.403 -1.635 1.00 30.81 ? 581 VAL A O 1 ATOM 1823 C CB . VAL A 1 240 ? 8.644 -1.452 -1.527 1.00 30.99 ? 581 VAL A CB 1 ATOM 1824 C CG1 . VAL A 1 240 ? 7.932 -2.740 -1.105 1.00 29.92 ? 581 VAL A CG1 1 ATOM 1825 C CG2 . VAL A 1 240 ? 9.560 -1.694 -2.725 1.00 30.87 ? 581 VAL A CG2 1 ATOM 1826 N N . THR A 1 241 ? 7.761 1.464 -3.392 1.00 30.12 ? 582 THR A N 1 ATOM 1827 C CA . THR A 1 241 ? 8.283 2.712 -3.925 1.00 28.91 ? 582 THR A CA 1 ATOM 1828 C C . THR A 1 241 ? 7.440 3.871 -3.377 1.00 28.47 ? 582 THR A C 1 ATOM 1829 O O . THR A 1 241 ? 7.898 5.011 -3.362 1.00 29.49 ? 582 THR A O 1 ATOM 1830 C CB . THR A 1 241 ? 8.182 2.760 -5.461 1.00 29.08 ? 582 THR A CB 1 ATOM 1831 O OG1 . THR A 1 241 ? 6.864 2.362 -5.870 1.00 29.19 ? 582 THR A OG1 1 ATOM 1832 C CG2 . THR A 1 241 ? 9.197 1.837 -6.094 1.00 28.69 ? 582 THR A CG2 1 ATOM 1833 N N . GLU A 1 242 ? 6.217 3.572 -2.923 1.00 28.27 ? 583 GLU A N 1 ATOM 1834 C CA . GLU A 1 242 ? 5.294 4.584 -2.388 1.00 28.69 ? 583 GLU A CA 1 ATOM 1835 C C . GLU A 1 242 ? 5.297 4.745 -0.877 1.00 28.89 ? 583 GLU A C 1 ATOM 1836 O O . GLU A 1 242 ? 4.261 5.008 -0.278 1.00 28.22 ? 583 GLU A O 1 ATOM 1837 C CB . GLU A 1 242 ? 3.840 4.298 -2.815 1.00 30.66 ? 583 GLU A CB 1 ATOM 1838 C CG . GLU A 1 242 ? 3.573 4.032 -4.299 1.00 34.15 ? 583 GLU A CG 1 ATOM 1839 C CD . GLU A 1 242 ? 4.224 5.036 -5.216 1.00 36.41 ? 583 GLU A CD 1 ATOM 1840 O OE1 . GLU A 1 242 ? 5.108 4.619 -5.986 1.00 38.52 ? 583 GLU A OE1 1 ATOM 1841 O OE2 . GLU A 1 242 ? 3.857 6.231 -5.171 1.00 38.03 ? 583 GLU A OE2 1 ATOM 1842 N N . ALA A 1 243 ? 6.433 4.582 -0.261 1.00 28.65 ? 584 ALA A N 1 ATOM 1843 C CA . ALA A 1 243 ? 6.522 4.768 1.137 1.00 28.67 ? 584 ALA A CA 1 ATOM 1844 C C . ALA A 1 243 ? 6.040 6.144 1.542 1.00 29.40 ? 584 ALA A C 1 ATOM 1845 O O . ALA A 1 243 ? 5.390 6.282 2.528 1.00 28.77 ? 584 ALA A O 1 ATOM 1846 C CB . ALA A 1 243 ? 7.910 4.565 1.554 1.00 28.20 ? 584 ALA A CB 1 ATOM 1847 N N . GLN A 1 244 ? 6.404 7.165 0.782 1.00 30.27 ? 585 GLN A N 1 ATOM 1848 C CA . GLN A 1 244 ? 6.082 8.532 1.120 1.00 30.40 ? 585 GLN A CA 1 ATOM 1849 C C . GLN A 1 244 ? 4.621 8.704 1.483 1.00 30.59 ? 585 GLN A C 1 ATOM 1850 O O . GLN A 1 244 ? 4.263 9.562 2.245 1.00 30.88 ? 585 GLN A O 1 ATOM 1851 C CB . GLN A 1 244 ? 6.478 9.455 -0.033 1.00 31.74 ? 585 GLN A CB 1 ATOM 1852 C CG . GLN A 1 244 ? 7.488 10.537 0.310 1.00 35.00 ? 585 GLN A CG 1 ATOM 1853 C CD . GLN A 1 244 ? 8.274 11.108 -0.885 1.00 35.70 ? 585 GLN A CD 1 ATOM 1854 O OE1 . GLN A 1 244 ? 8.323 10.535 -1.954 1.00 36.79 ? 585 GLN A OE1 1 ATOM 1855 N NE2 . GLN A 1 244 ? 8.895 12.234 -0.675 1.00 36.25 ? 585 GLN A NE2 1 ATOM 1856 N N . SER A 1 245 ? 3.776 7.866 0.931 1.00 30.72 ? 586 SER A N 1 ATOM 1857 C CA . SER A 1 245 ? 2.361 8.036 1.078 1.00 31.13 ? 586 SER A CA 1 ATOM 1858 C C . SER A 1 245 ? 1.728 6.912 1.798 1.00 30.96 ? 586 SER A C 1 ATOM 1859 O O . SER A 1 245 ? 0.599 6.970 2.159 1.00 32.59 ? 586 SER A O 1 ATOM 1860 C CB . SER A 1 245 ? 1.724 8.180 -0.274 1.00 31.94 ? 586 SER A CB 1 ATOM 1861 O OG . SER A 1 245 ? 1.274 6.966 -0.758 1.00 32.72 ? 586 SER A OG 1 ATOM 1862 N N . CYS A 1 246 ? 2.486 5.881 2.023 1.00 30.13 ? 587 CYS A N 1 ATOM 1863 C CA . CYS A 1 246 ? 2.001 4.698 2.703 1.00 29.55 ? 587 CYS A CA 1 ATOM 1864 C C . CYS A 1 246 ? 2.944 4.227 3.805 1.00 28.77 ? 587 CYS A C 1 ATOM 1865 O O . CYS A 1 246 ? 3.687 3.264 3.623 1.00 30.30 ? 587 CYS A O 1 ATOM 1866 C CB . CYS A 1 246 ? 1.793 3.577 1.680 1.00 28.93 ? 587 CYS A CB 1 ATOM 1867 S SG . CYS A 1 246 ? 1.099 1.981 2.244 1.00 28.80 ? 587 CYS A SG 1 ATOM 1868 N N . HIS A 1 247 ? 2.956 4.947 4.923 1.00 27.64 ? 588 HIS A N 1 ATOM 1869 C CA . HIS A 1 247 ? 3.778 4.582 6.086 1.00 25.29 ? 588 HIS A CA 1 ATOM 1870 C C . HIS A 1 247 ? 2.864 4.683 7.319 1.00 24.56 ? 588 HIS A C 1 ATOM 1871 O O . HIS A 1 247 ? 1.763 5.215 7.223 1.00 24.44 ? 588 HIS A O 1 ATOM 1872 C CB . HIS A 1 247 ? 4.957 5.535 6.309 1.00 24.86 ? 588 HIS A CB 1 ATOM 1873 C CG . HIS A 1 247 ? 4.629 6.972 6.080 1.00 26.29 ? 588 HIS A CG 1 ATOM 1874 N ND1 . HIS A 1 247 ? 4.805 7.579 4.854 1.00 25.64 ? 588 HIS A ND1 1 ATOM 1875 C CD2 . HIS A 1 247 ? 4.142 7.927 6.907 1.00 26.65 ? 588 HIS A CD2 1 ATOM 1876 C CE1 . HIS A 1 247 ? 4.444 8.844 4.936 1.00 25.53 ? 588 HIS A CE1 1 ATOM 1877 N NE2 . HIS A 1 247 ? 4.037 9.082 6.171 1.00 27.59 ? 588 HIS A NE2 1 ATOM 1878 N N . LEU A 1 248 ? 3.299 4.149 8.466 1.00 24.34 ? 589 LEU A N 1 ATOM 1879 C CA . LEU A 1 248 ? 2.506 4.215 9.707 1.00 23.54 ? 589 LEU A CA 1 ATOM 1880 C C . LEU A 1 248 ? 2.822 5.512 10.453 1.00 22.43 ? 589 LEU A C 1 ATOM 1881 O O . LEU A 1 248 ? 1.958 6.087 11.109 1.00 22.55 ? 589 LEU A O 1 ATOM 1882 C CB . LEU A 1 248 ? 2.816 3.067 10.667 1.00 23.80 ? 589 LEU A CB 1 ATOM 1883 C CG . LEU A 1 248 ? 2.426 1.689 10.151 1.00 23.19 ? 589 LEU A CG 1 ATOM 1884 C CD1 . LEU A 1 248 ? 2.569 0.671 11.271 1.00 22.31 ? 589 LEU A CD1 1 ATOM 1885 C CD2 . LEU A 1 248 ? 0.990 1.737 9.630 1.00 22.25 ? 589 LEU A CD2 1 ATOM 1886 N N . ALA A 1 249 ? 4.069 5.963 10.361 1.00 21.97 ? 590 ALA A N 1 ATOM 1887 C CA . ALA A 1 249 ? 4.496 7.197 11.016 1.00 21.42 ? 590 ALA A CA 1 ATOM 1888 C C . ALA A 1 249 ? 5.914 7.514 10.576 1.00 20.99 ? 590 ALA A C 1 ATOM 1889 O O . ALA A 1 249 ? 6.546 6.696 9.921 1.00 19.27 ? 590 ALA A O 1 ATOM 1890 C CB . ALA A 1 249 ? 4.491 7.009 12.542 1.00 21.16 ? 590 ALA A CB 1 ATOM 1891 N N . VAL A 1 250 ? 6.379 8.728 10.886 1.00 22.28 ? 591 VAL A N 1 ATOM 1892 C CA . VAL A 1 250 ? 7.762 9.129 10.601 1.00 24.34 ? 591 VAL A CA 1 ATOM 1893 C C . VAL A 1 250 ? 8.390 8.995 12.002 1.00 26.02 ? 591 VAL A C 1 ATOM 1894 O O . VAL A 1 250 ? 7.797 9.349 13.036 1.00 26.12 ? 591 VAL A O 1 ATOM 1895 C CB . VAL A 1 250 ? 7.945 10.586 10.102 1.00 25.36 ? 591 VAL A CB 1 ATOM 1896 C CG1 . VAL A 1 250 ? 9.432 10.961 10.204 1.00 26.61 ? 591 VAL A CG1 1 ATOM 1897 C CG2 . VAL A 1 250 ? 7.517 10.673 8.634 1.00 27.52 ? 591 VAL A CG2 1 ATOM 1898 N N . ALA A 1 251 ? 9.615 8.487 12.012 1.00 26.66 ? 592 ALA A N 1 ATOM 1899 C CA . ALA A 1 251 ? 10.371 8.193 13.218 1.00 25.02 ? 592 ALA A CA 1 ATOM 1900 C C . ALA A 1 251 ? 11.623 8.997 13.441 1.00 24.72 ? 592 ALA A C 1 ATOM 1901 O O . ALA A 1 251 ? 12.369 9.262 12.505 1.00 24.39 ? 592 ALA A O 1 ATOM 1902 C CB . ALA A 1 251 ? 10.720 6.713 13.193 1.00 26.04 ? 592 ALA A CB 1 ATOM 1903 N N . PRO A 1 252 ? 11.878 9.390 14.696 1.00 24.06 ? 593 PRO A N 1 ATOM 1904 C CA . PRO A 1 252 ? 13.070 10.170 15.032 1.00 23.16 ? 593 PRO A CA 1 ATOM 1905 C C . PRO A 1 252 ? 14.290 9.298 14.788 1.00 22.58 ? 593 PRO A C 1 ATOM 1906 O O . PRO A 1 252 ? 14.326 8.129 15.183 1.00 22.12 ? 593 PRO A O 1 ATOM 1907 C CB . PRO A 1 252 ? 12.881 10.484 16.515 1.00 22.37 ? 593 PRO A CB 1 ATOM 1908 C CG . PRO A 1 252 ? 11.879 9.442 16.965 1.00 22.52 ? 593 PRO A CG 1 ATOM 1909 C CD . PRO A 1 252 ? 10.936 9.384 15.820 1.00 22.81 ? 593 PRO A CD 1 ATOM 1910 N N . ASN A 1 253 ? 15.303 9.845 14.146 1.00 22.02 ? 594 ASN A N 1 ATOM 1911 C CA . ASN A 1 253 ? 16.482 9.051 13.908 1.00 21.21 ? 594 ASN A CA 1 ATOM 1912 C C . ASN A 1 253 ? 17.074 8.570 15.202 1.00 20.57 ? 594 ASN A C 1 ATOM 1913 O O . ASN A 1 253 ? 16.994 9.239 16.238 1.00 21.73 ? 594 ASN A O 1 ATOM 1914 C CB . ASN A 1 253 ? 17.581 9.865 13.223 1.00 21.70 ? 594 ASN A CB 1 ATOM 1915 C CG . ASN A 1 253 ? 17.268 10.199 11.785 1.00 22.75 ? 594 ASN A CG 1 ATOM 1916 O OD1 . ASN A 1 253 ? 16.751 9.370 11.050 1.00 26.16 ? 594 ASN A OD1 1 ATOM 1917 N ND2 . ASN A 1 253 ? 17.594 11.410 11.372 1.00 23.24 ? 594 ASN A ND2 1 ATOM 1918 N N . HIS A 1 254 ? 17.621 7.365 15.136 1.00 18.76 ? 595 HIS A N 1 ATOM 1919 C CA . HIS A 1 254 ? 18.313 6.784 16.260 1.00 15.54 ? 595 HIS A CA 1 ATOM 1920 C C . HIS A 1 254 ? 19.345 7.891 16.625 1.00 16.28 ? 595 HIS A C 1 ATOM 1921 O O . HIS A 1 254 ? 19.773 8.702 15.779 1.00 16.01 ? 595 HIS A O 1 ATOM 1922 C CB . HIS A 1 254 ? 19.024 5.522 15.785 1.00 14.15 ? 595 HIS A CB 1 ATOM 1923 C CG . HIS A 1 254 ? 18.111 4.359 15.597 1.00 11.26 ? 595 HIS A CG 1 ATOM 1924 N ND1 . HIS A 1 254 ? 18.561 3.060 15.564 1.00 11.34 ? 595 HIS A ND1 1 ATOM 1925 C CD2 . HIS A 1 254 ? 16.771 4.301 15.443 1.00 10.94 ? 595 HIS A CD2 1 ATOM 1926 C CE1 . HIS A 1 254 ? 17.534 2.246 15.399 1.00 11.18 ? 595 HIS A CE1 1 ATOM 1927 N NE2 . HIS A 1 254 ? 16.439 2.975 15.324 1.00 13.01 ? 595 HIS A NE2 1 ATOM 1928 N N . ALA A 1 255 ? 19.747 7.908 17.886 1.00 16.52 ? 596 ALA A N 1 ATOM 1929 C CA . ALA A 1 255 ? 20.686 8.891 18.392 1.00 15.64 ? 596 ALA A CA 1 ATOM 1930 C C . ALA A 1 255 ? 21.510 8.368 19.559 1.00 15.33 ? 596 ALA A C 1 ATOM 1931 O O . ALA A 1 255 ? 21.086 7.488 20.316 1.00 14.36 ? 596 ALA A O 1 ATOM 1932 C CB . ALA A 1 255 ? 19.910 10.153 18.815 1.00 15.27 ? 596 ALA A CB 1 ATOM 1933 N N . VAL A 1 256 ? 22.702 8.936 19.662 1.00 15.69 ? 597 VAL A N 1 ATOM 1934 C CA . VAL A 1 256 ? 23.663 8.613 20.696 1.00 16.64 ? 597 VAL A CA 1 ATOM 1935 C C . VAL A 1 256 ? 23.260 9.374 21.927 1.00 17.08 ? 597 VAL A C 1 ATOM 1936 O O . VAL A 1 256 ? 22.906 10.551 21.865 1.00 15.85 ? 597 VAL A O 1 ATOM 1937 C CB . VAL A 1 256 ? 25.083 9.071 20.312 1.00 17.11 ? 597 VAL A CB 1 ATOM 1938 C CG1 . VAL A 1 256 ? 26.059 8.751 21.444 1.00 18.35 ? 597 VAL A CG1 1 ATOM 1939 C CG2 . VAL A 1 256 ? 25.505 8.413 19.021 1.00 16.76 ? 597 VAL A CG2 1 ATOM 1940 N N . VAL A 1 257 ? 23.295 8.688 23.052 1.00 17.65 ? 598 VAL A N 1 ATOM 1941 C CA . VAL A 1 257 ? 22.941 9.334 24.290 1.00 17.75 ? 598 VAL A CA 1 ATOM 1942 C C . VAL A 1 257 ? 23.996 9.047 25.326 1.00 19.31 ? 598 VAL A C 1 ATOM 1943 O O . VAL A 1 257 ? 24.709 8.034 25.280 1.00 18.66 ? 598 VAL A O 1 ATOM 1944 C CB . VAL A 1 257 ? 21.568 8.825 24.863 1.00 17.50 ? 598 VAL A CB 1 ATOM 1945 C CG1 . VAL A 1 257 ? 20.479 8.959 23.800 1.00 14.29 ? 598 VAL A CG1 1 ATOM 1946 C CG2 . VAL A 1 257 ? 21.685 7.373 25.339 1.00 18.37 ? 598 VAL A CG2 1 ATOM 1947 N N . SER A 1 258 ? 24.129 9.975 26.250 1.00 20.08 ? 599 SER A N 1 ATOM 1948 C CA . SER A 1 258 ? 25.076 9.793 27.323 1.00 20.44 ? 599 SER A CA 1 ATOM 1949 C C . SER A 1 258 ? 24.403 10.469 28.501 1.00 21.61 ? 599 SER A C 1 ATOM 1950 O O . SER A 1 258 ? 23.296 10.993 28.397 1.00 22.46 ? 599 SER A O 1 ATOM 1951 C CB . SER A 1 258 ? 26.367 10.539 27.055 1.00 18.83 ? 599 SER A CB 1 ATOM 1952 O OG . SER A 1 258 ? 26.152 11.914 27.313 1.00 18.71 ? 599 SER A OG 1 ATOM 1953 N N . ARG A 1 259 ? 25.069 10.398 29.638 1.00 23.27 ? 600 ARG A N 1 ATOM 1954 C CA . ARG A 1 259 ? 24.613 11.036 30.864 1.00 24.83 ? 600 ARG A CA 1 ATOM 1955 C C . ARG A 1 259 ? 24.888 12.557 30.624 1.00 26.08 ? 600 ARG A C 1 ATOM 1956 O O . ARG A 1 259 ? 25.942 12.925 30.090 1.00 25.78 ? 600 ARG A O 1 ATOM 1957 C CB . ARG A 1 259 ? 25.531 10.641 31.973 1.00 23.56 ? 600 ARG A CB 1 ATOM 1958 C CG . ARG A 1 259 ? 24.965 9.907 33.085 1.00 22.79 ? 600 ARG A CG 1 ATOM 1959 C CD . ARG A 1 259 ? 25.950 10.167 34.181 1.00 23.96 ? 600 ARG A CD 1 ATOM 1960 N NE . ARG A 1 259 ? 26.099 9.059 35.096 1.00 24.41 ? 600 ARG A NE 1 ATOM 1961 C CZ . ARG A 1 259 ? 26.906 9.084 36.147 1.00 24.34 ? 600 ARG A CZ 1 ATOM 1962 N NH1 . ARG A 1 259 ? 27.634 10.163 36.405 1.00 24.24 ? 600 ARG A NH1 1 ATOM 1963 N NH2 . ARG A 1 259 ? 26.976 8.030 36.943 1.00 25.26 ? 600 ARG A NH2 1 ATOM 1964 N N . SER A 1 260 ? 23.998 13.439 31.068 1.00 29.07 ? 601 SER A N 1 ATOM 1965 C CA . SER A 1 260 ? 24.191 14.889 30.888 1.00 31.98 ? 601 SER A CA 1 ATOM 1966 C C . SER A 1 260 ? 25.615 15.409 31.169 1.00 32.37 ? 601 SER A C 1 ATOM 1967 O O . SER A 1 260 ? 26.166 16.192 30.410 1.00 33.67 ? 601 SER A O 1 ATOM 1968 C CB . SER A 1 260 ? 23.213 15.662 31.776 1.00 32.05 ? 601 SER A CB 1 ATOM 1969 O OG . SER A 1 260 ? 23.532 17.036 31.750 1.00 34.79 ? 601 SER A OG 1 ATOM 1970 N N . ASP A 1 261 ? 26.185 14.964 32.277 1.00 34.11 ? 602 ASP A N 1 ATOM 1971 C CA . ASP A 1 261 ? 27.529 15.320 32.743 1.00 35.72 ? 602 ASP A CA 1 ATOM 1972 C C . ASP A 1 261 ? 28.688 14.993 31.819 1.00 35.39 ? 602 ASP A C 1 ATOM 1973 O O . ASP A 1 261 ? 29.743 15.630 31.864 1.00 35.26 ? 602 ASP A O 1 ATOM 1974 C CB . ASP A 1 261 ? 27.848 14.560 34.028 1.00 39.22 ? 602 ASP A CB 1 ATOM 1975 C CG . ASP A 1 261 ? 27.070 15.037 35.209 1.00 42.04 ? 602 ASP A CG 1 ATOM 1976 O OD1 . ASP A 1 261 ? 27.102 16.258 35.446 1.00 42.47 ? 602 ASP A OD1 1 ATOM 1977 O OD2 . ASP A 1 261 ? 26.450 14.194 35.902 1.00 43.94 ? 602 ASP A OD2 1 ATOM 1978 N N . ARG A 1 262 ? 28.501 13.971 31.007 1.00 35.51 ? 603 ARG A N 1 ATOM 1979 C CA . ARG A 1 262 ? 29.561 13.496 30.144 1.00 36.01 ? 603 ARG A CA 1 ATOM 1980 C C . ARG A 1 262 ? 29.301 13.734 28.686 1.00 35.52 ? 603 ARG A C 1 ATOM 1981 O O . ARG A 1 262 ? 30.159 13.480 27.837 1.00 35.32 ? 603 ARG A O 1 ATOM 1982 C CB . ARG A 1 262 ? 29.729 11.993 30.426 1.00 36.73 ? 603 ARG A CB 1 ATOM 1983 C CG . ARG A 1 262 ? 30.568 11.651 31.672 1.00 37.63 ? 603 ARG A CG 1 ATOM 1984 C CD . ARG A 1 262 ? 32.039 12.093 31.499 1.00 39.86 ? 603 ARG A CD 1 ATOM 1985 N NE . ARG A 1 262 ? 32.855 11.133 30.748 1.00 40.77 ? 603 ARG A NE 1 ATOM 1986 C CZ . ARG A 1 262 ? 34.109 11.348 30.357 1.00 42.39 ? 603 ARG A CZ 1 ATOM 1987 N NH1 . ARG A 1 262 ? 34.714 12.497 30.638 1.00 41.27 ? 603 ARG A NH1 1 ATOM 1988 N NH2 . ARG A 1 262 ? 34.764 10.403 29.692 1.00 42.85 ? 603 ARG A NH2 1 ATOM 1989 N N . ALA A 1 263 ? 28.114 14.266 28.433 1.00 34.61 ? 604 ALA A N 1 ATOM 1990 C CA . ALA A 1 263 ? 27.638 14.545 27.095 1.00 34.55 ? 604 ALA A CA 1 ATOM 1991 C C . ALA A 1 263 ? 28.554 15.366 26.207 1.00 34.14 ? 604 ALA A C 1 ATOM 1992 O O . ALA A 1 263 ? 28.668 15.066 25.021 1.00 34.63 ? 604 ALA A O 1 ATOM 1993 C CB . ALA A 1 263 ? 26.222 15.184 27.166 1.00 34.44 ? 604 ALA A CB 1 ATOM 1994 N N . ALA A 1 264 ? 29.224 16.371 26.764 1.00 34.36 ? 605 ALA A N 1 ATOM 1995 C CA . ALA A 1 264 ? 30.129 17.206 25.977 1.00 34.41 ? 605 ALA A CA 1 ATOM 1996 C C . ALA A 1 264 ? 31.413 16.461 25.590 1.00 35.08 ? 605 ALA A C 1 ATOM 1997 O O . ALA A 1 264 ? 31.845 16.535 24.444 1.00 35.59 ? 605 ALA A O 1 ATOM 1998 C CB . ALA A 1 264 ? 30.463 18.483 26.746 1.00 33.86 ? 605 ALA A CB 1 ATOM 1999 N N . HIS A 1 265 ? 32.022 15.757 26.544 1.00 35.76 ? 606 HIS A N 1 ATOM 2000 C CA . HIS A 1 265 ? 33.240 14.979 26.288 1.00 36.46 ? 606 HIS A CA 1 ATOM 2001 C C . HIS A 1 265 ? 32.987 13.944 25.179 1.00 35.82 ? 606 HIS A C 1 ATOM 2002 O O . HIS A 1 265 ? 33.833 13.737 24.307 1.00 35.88 ? 606 HIS A O 1 ATOM 2003 C CB . HIS A 1 265 ? 33.669 14.212 27.542 1.00 38.85 ? 606 HIS A CB 1 ATOM 2004 C CG . HIS A 1 265 ? 34.065 15.085 28.687 1.00 41.50 ? 606 HIS A CG 1 ATOM 2005 N ND1 . HIS A 1 265 ? 35.274 14.953 29.337 1.00 43.56 ? 606 HIS A ND1 1 ATOM 2006 C CD2 . HIS A 1 265 ? 33.412 16.096 29.308 1.00 42.65 ? 606 HIS A CD2 1 ATOM 2007 C CE1 . HIS A 1 265 ? 35.348 15.847 30.307 1.00 44.18 ? 606 HIS A CE1 1 ATOM 2008 N NE2 . HIS A 1 265 ? 34.231 16.552 30.311 1.00 45.06 ? 606 HIS A NE2 1 ATOM 2009 N N . VAL A 1 266 ? 31.832 13.281 25.241 1.00 34.63 ? 607 VAL A N 1 ATOM 2010 C CA . VAL A 1 266 ? 31.443 12.257 24.266 1.00 34.61 ? 607 VAL A CA 1 ATOM 2011 C C . VAL A 1 266 ? 31.234 12.881 22.888 1.00 34.84 ? 607 VAL A C 1 ATOM 2012 O O . VAL A 1 266 ? 31.667 12.338 21.870 1.00 33.60 ? 607 VAL A O 1 ATOM 2013 C CB . VAL A 1 266 ? 30.140 11.520 24.739 1.00 33.79 ? 607 VAL A CB 1 ATOM 2014 C CG1 . VAL A 1 266 ? 29.568 10.656 23.607 1.00 33.08 ? 607 VAL A CG1 1 ATOM 2015 C CG2 . VAL A 1 266 ? 30.473 10.641 25.961 1.00 33.53 ? 607 VAL A CG2 1 ATOM 2016 N N . GLU A 1 267 ? 30.580 14.037 22.875 1.00 35.29 ? 608 GLU A N 1 ATOM 2017 C CA . GLU A 1 267 ? 30.300 14.769 21.651 1.00 36.04 ? 608 GLU A CA 1 ATOM 2018 C C . GLU A 1 267 ? 31.608 15.071 20.902 1.00 36.11 ? 608 GLU A C 1 ATOM 2019 O O . GLU A 1 267 ? 31.723 14.806 19.701 1.00 35.71 ? 608 GLU A O 1 ATOM 2020 C CB . GLU A 1 267 ? 29.568 16.057 22.019 1.00 36.48 ? 608 GLU A CB 1 ATOM 2021 C CG . GLU A 1 267 ? 29.095 16.851 20.845 1.00 39.76 ? 608 GLU A CG 1 ATOM 2022 C CD . GLU A 1 267 ? 27.986 17.811 21.217 1.00 43.48 ? 608 GLU A CD 1 ATOM 2023 O OE1 . GLU A 1 267 ? 27.190 17.476 22.128 1.00 43.30 ? 608 GLU A OE1 1 ATOM 2024 O OE2 . GLU A 1 267 ? 27.899 18.882 20.579 1.00 44.91 ? 608 GLU A OE2 1 ATOM 2025 N N . GLN A 1 268 ? 32.590 15.617 21.612 1.00 35.59 ? 609 GLN A N 1 ATOM 2026 C CA . GLN A 1 268 ? 33.885 15.936 21.015 1.00 35.97 ? 609 GLN A CA 1 ATOM 2027 C C . GLN A 1 268 ? 34.607 14.670 20.541 1.00 35.76 ? 609 GLN A C 1 ATOM 2028 O O . GLN A 1 268 ? 35.149 14.633 19.438 1.00 35.08 ? 609 GLN A O 1 ATOM 2029 C CB . GLN A 1 268 ? 34.749 16.678 22.045 1.00 37.52 ? 609 GLN A CB 1 ATOM 2030 C CG . GLN A 1 268 ? 36.262 16.552 21.884 1.00 39.24 ? 609 GLN A CG 1 ATOM 2031 C CD . GLN A 1 268 ? 37.017 17.209 23.034 1.00 40.82 ? 609 GLN A CD 1 ATOM 2032 O OE1 . GLN A 1 268 ? 37.017 18.434 23.174 1.00 41.75 ? 609 GLN A OE1 1 ATOM 2033 N NE2 . GLN A 1 268 ? 37.650 16.393 23.872 1.00 40.73 ? 609 GLN A NE2 1 ATOM 2034 N N . VAL A 1 269 ? 34.594 13.618 21.349 1.00 35.80 ? 610 VAL A N 1 ATOM 2035 C CA . VAL A 1 269 ? 35.292 12.404 20.962 1.00 35.08 ? 610 VAL A CA 1 ATOM 2036 C C . VAL A 1 269 ? 34.719 11.746 19.715 1.00 35.02 ? 610 VAL A C 1 ATOM 2037 O O . VAL A 1 269 ? 35.471 11.271 18.863 1.00 34.64 ? 610 VAL A O 1 ATOM 2038 C CB . VAL A 1 269 ? 35.329 11.393 22.150 1.00 34.83 ? 610 VAL A CB 1 ATOM 2039 C CG1 . VAL A 1 269 ? 36.091 10.121 21.745 1.00 35.07 ? 610 VAL A CG1 1 ATOM 2040 C CG2 . VAL A 1 269 ? 36.021 12.052 23.347 1.00 34.82 ? 610 VAL A CG2 1 ATOM 2041 N N . LEU A 1 270 ? 33.392 11.769 19.595 1.00 35.30 ? 611 LEU A N 1 ATOM 2042 C CA . LEU A 1 270 ? 32.688 11.174 18.462 1.00 34.62 ? 611 LEU A CA 1 ATOM 2043 C C . LEU A 1 270 ? 32.894 11.921 17.152 1.00 34.95 ? 611 LEU A C 1 ATOM 2044 O O . LEU A 1 270 ? 33.057 11.288 16.105 1.00 33.87 ? 611 LEU A O 1 ATOM 2045 C CB . LEU A 1 270 ? 31.187 11.062 18.773 1.00 34.94 ? 611 LEU A CB 1 ATOM 2046 C CG . LEU A 1 270 ? 30.757 9.895 19.681 1.00 35.91 ? 611 LEU A CG 1 ATOM 2047 C CD1 . LEU A 1 270 ? 29.243 9.998 19.900 1.00 35.22 ? 611 LEU A CD1 1 ATOM 2048 C CD2 . LEU A 1 270 ? 31.142 8.543 19.039 1.00 34.84 ? 611 LEU A CD2 1 ATOM 2049 N N . LEU A 1 271 ? 32.865 13.255 17.203 1.00 36.11 ? 612 LEU A N 1 ATOM 2050 C CA . LEU A 1 271 ? 33.061 14.074 16.007 1.00 36.30 ? 612 LEU A CA 1 ATOM 2051 C C . LEU A 1 271 ? 34.480 13.792 15.476 1.00 36.75 ? 612 LEU A C 1 ATOM 2052 O O . LEU A 1 271 ? 34.681 13.655 14.266 1.00 37.06 ? 612 LEU A O 1 ATOM 2053 C CB . LEU A 1 271 ? 32.878 15.562 16.354 1.00 37.00 ? 612 LEU A CB 1 ATOM 2054 C CG . LEU A 1 271 ? 31.453 15.963 16.793 1.00 37.73 ? 612 LEU A CG 1 ATOM 2055 C CD1 . LEU A 1 271 ? 31.490 17.343 17.431 1.00 36.53 ? 612 LEU A CD1 1 ATOM 2056 C CD2 . LEU A 1 271 ? 30.509 15.958 15.599 1.00 37.62 ? 612 LEU A CD2 1 ATOM 2057 N N . HIS A 1 272 ? 35.460 13.707 16.375 1.00 36.87 ? 613 HIS A N 1 ATOM 2058 C CA . HIS A 1 272 ? 36.838 13.413 15.973 1.00 37.72 ? 613 HIS A CA 1 ATOM 2059 C C . HIS A 1 272 ? 36.901 11.970 15.430 1.00 37.94 ? 613 HIS A C 1 ATOM 2060 O O . HIS A 1 272 ? 37.561 11.715 14.426 1.00 38.66 ? 613 HIS A O 1 ATOM 2061 C CB . HIS A 1 272 ? 37.798 13.521 17.171 1.00 39.27 ? 613 HIS A CB 1 ATOM 2062 C CG . HIS A 1 272 ? 39.215 13.121 16.859 1.00 41.25 ? 613 HIS A CG 1 ATOM 2063 N ND1 . HIS A 1 272 ? 39.856 12.079 17.498 1.00 42.45 ? 613 HIS A ND1 1 ATOM 2064 C CD2 . HIS A 1 272 ? 40.113 13.632 15.983 1.00 41.33 ? 613 HIS A CD2 1 ATOM 2065 C CE1 . HIS A 1 272 ? 41.088 11.965 17.028 1.00 41.06 ? 613 HIS A CE1 1 ATOM 2066 N NE2 . HIS A 1 272 ? 41.268 12.895 16.108 1.00 41.58 ? 613 HIS A NE2 1 ATOM 2067 N N . GLN A 1 273 ? 36.212 11.029 16.080 1.00 37.47 ? 614 GLN A N 1 ATOM 2068 C CA . GLN A 1 273 ? 36.219 9.625 15.654 1.00 36.92 ? 614 GLN A CA 1 ATOM 2069 C C . GLN A 1 273 ? 35.588 9.365 14.290 1.00 37.09 ? 614 GLN A C 1 ATOM 2070 O O . GLN A 1 273 ? 36.053 8.496 13.545 1.00 36.18 ? 614 GLN A O 1 ATOM 2071 C CB . GLN A 1 273 ? 35.554 8.767 16.734 1.00 36.51 ? 614 GLN A CB 1 ATOM 2072 C CG . GLN A 1 273 ? 36.451 8.540 17.935 1.00 35.51 ? 614 GLN A CG 1 ATOM 2073 C CD . GLN A 1 273 ? 37.584 7.601 17.608 1.00 34.85 ? 614 GLN A CD 1 ATOM 2074 O OE1 . GLN A 1 273 ? 37.358 6.522 17.065 1.00 36.13 ? 614 GLN A OE1 1 ATOM 2075 N NE2 . GLN A 1 273 ? 38.806 7.992 17.941 1.00 34.85 ? 614 GLN A NE2 1 ATOM 2076 N N . GLN A 1 274 ? 34.534 10.105 13.960 1.00 38.04 ? 615 GLN A N 1 ATOM 2077 C CA . GLN A 1 274 ? 33.898 9.920 12.664 1.00 39.30 ? 615 GLN A CA 1 ATOM 2078 C C . GLN A 1 274 ? 34.797 10.555 11.582 1.00 39.47 ? 615 GLN A C 1 ATOM 2079 O O . GLN A 1 274 ? 34.732 10.173 10.411 1.00 40.00 ? 615 GLN A O 1 ATOM 2080 C CB . GLN A 1 274 ? 32.482 10.522 12.667 1.00 38.58 ? 615 GLN A CB 1 ATOM 2081 C CG . GLN A 1 274 ? 32.358 11.982 12.344 1.00 38.19 ? 615 GLN A CG 1 ATOM 2082 C CD . GLN A 1 274 ? 30.904 12.433 12.320 1.00 38.18 ? 615 GLN A CD 1 ATOM 2083 O OE1 . GLN A 1 274 ? 29.995 11.631 12.115 1.00 38.08 ? 615 GLN A OE1 1 ATOM 2084 N NE2 . GLN A 1 274 ? 30.683 13.726 12.502 1.00 39.15 ? 615 GLN A NE2 1 ATOM 2085 N N . ALA A 1 275 ? 35.654 11.497 11.983 1.00 39.61 ? 616 ALA A N 1 ATOM 2086 C CA . ALA A 1 275 ? 36.589 12.148 11.060 1.00 39.39 ? 616 ALA A CA 1 ATOM 2087 C C . ALA A 1 275 ? 37.570 11.096 10.515 1.00 39.83 ? 616 ALA A C 1 ATOM 2088 O O . ALA A 1 275 ? 38.020 11.199 9.376 1.00 40.71 ? 616 ALA A O 1 ATOM 2089 C CB . ALA A 1 275 ? 37.362 13.235 11.785 1.00 38.97 ? 616 ALA A CB 1 ATOM 2090 N N . LEU A 1 276 ? 37.905 10.086 11.316 1.00 39.77 ? 617 LEU A N 1 ATOM 2091 C CA . LEU A 1 276 ? 38.837 9.043 10.871 1.00 40.05 ? 617 LEU A CA 1 ATOM 2092 C C . LEU A 1 276 ? 38.123 7.759 10.425 1.00 40.42 ? 617 LEU A C 1 ATOM 2093 O O . LEU A 1 276 ? 38.679 6.981 9.645 1.00 40.45 ? 617 LEU A O 1 ATOM 2094 C CB . LEU A 1 276 ? 39.793 8.628 12.016 1.00 40.22 ? 617 LEU A CB 1 ATOM 2095 C CG . LEU A 1 276 ? 40.593 9.658 12.847 1.00 40.62 ? 617 LEU A CG 1 ATOM 2096 C CD1 . LEU A 1 276 ? 41.360 8.953 13.957 1.00 38.76 ? 617 LEU A CD1 1 ATOM 2097 C CD2 . LEU A 1 276 ? 41.558 10.420 11.944 1.00 39.62 ? 617 LEU A CD2 1 ATOM 2098 N N . PHE A 1 277 ? 36.886 7.562 10.884 1.00 40.78 ? 618 PHE A N 1 ATOM 2099 C CA . PHE A 1 277 ? 36.147 6.329 10.621 1.00 40.45 ? 618 PHE A CA 1 ATOM 2100 C C . PHE A 1 277 ? 34.753 6.448 10.036 1.00 40.92 ? 618 PHE A C 1 ATOM 2101 O O . PHE A 1 277 ? 34.056 5.441 9.857 1.00 40.75 ? 618 PHE A O 1 ATOM 2102 C CB . PHE A 1 277 ? 36.053 5.556 11.946 1.00 39.71 ? 618 PHE A CB 1 ATOM 2103 C CG . PHE A 1 277 ? 37.392 5.318 12.618 1.00 39.24 ? 618 PHE A CG 1 ATOM 2104 C CD1 . PHE A 1 277 ? 38.391 4.598 11.972 1.00 39.46 ? 618 PHE A CD1 1 ATOM 2105 C CD2 . PHE A 1 277 ? 37.639 5.793 13.908 1.00 39.82 ? 618 PHE A CD2 1 ATOM 2106 C CE1 . PHE A 1 277 ? 39.625 4.372 12.587 1.00 39.23 ? 618 PHE A CE1 1 ATOM 2107 C CE2 . PHE A 1 277 ? 38.870 5.573 14.532 1.00 38.81 ? 618 PHE A CE2 1 ATOM 2108 C CZ . PHE A 1 277 ? 39.860 4.853 13.874 1.00 39.14 ? 618 PHE A CZ 1 ATOM 2109 N N . GLY A 1 278 ? 34.331 7.677 9.787 1.00 41.22 ? 619 GLY A N 1 ATOM 2110 C CA . GLY A 1 278 ? 33.017 7.870 9.221 1.00 41.96 ? 619 GLY A CA 1 ATOM 2111 C C . GLY A 1 278 ? 33.086 7.750 7.704 1.00 42.14 ? 619 GLY A C 1 ATOM 2112 O O . GLY A 1 278 ? 34.076 7.247 7.155 1.00 41.24 ? 619 GLY A O 1 ATOM 2113 N N . LYS A 1 279 ? 32.021 8.176 7.024 1.00 43.79 ? 620 LYS A N 1 ATOM 2114 C CA . LYS A 1 279 ? 31.976 8.123 5.566 1.00 46.27 ? 620 LYS A CA 1 ATOM 2115 C C . LYS A 1 279 ? 32.988 9.199 5.141 1.00 47.31 ? 620 LYS A C 1 ATOM 2116 O O . LYS A 1 279 ? 33.006 10.312 5.675 1.00 47.14 ? 620 LYS A O 1 ATOM 2117 C CB . LYS A 1 279 ? 30.580 8.461 5.037 1.00 47.06 ? 620 LYS A CB 1 ATOM 2118 C CG . LYS A 1 279 ? 30.410 8.083 3.574 1.00 48.52 ? 620 LYS A CG 1 ATOM 2119 C CD . LYS A 1 279 ? 29.557 9.097 2.823 1.00 49.91 ? 620 LYS A CD 1 ATOM 2120 C CE . LYS A 1 279 ? 29.232 8.627 1.409 1.00 50.11 ? 620 LYS A CE 1 ATOM 2121 N NZ . LYS A 1 279 ? 28.476 9.654 0.632 1.00 50.32 ? 620 LYS A NZ 1 ATOM 2122 N N . ASN A 1 280 ? 33.808 8.851 4.158 1.00 48.52 ? 621 ASN A N 1 ATOM 2123 C CA . ASN A 1 280 ? 34.892 9.689 3.635 1.00 49.89 ? 621 ASN A CA 1 ATOM 2124 C C . ASN A 1 280 ? 35.937 9.904 4.754 1.00 49.78 ? 621 ASN A C 1 ATOM 2125 O O . ASN A 1 280 ? 36.840 10.731 4.610 1.00 50.35 ? 621 ASN A O 1 ATOM 2126 C CB . ASN A 1 280 ? 34.420 11.063 3.147 1.00 50.61 ? 621 ASN A CB 1 ATOM 2127 C CG . ASN A 1 280 ? 33.094 11.018 2.441 1.00 51.48 ? 621 ASN A CG 1 ATOM 2128 O OD1 . ASN A 1 280 ? 32.335 11.980 2.507 1.00 53.59 ? 621 ASN A OD1 1 ATOM 2129 N ND2 . ASN A 1 280 ? 32.805 9.917 1.755 1.00 51.07 ? 621 ASN A ND2 1 ATOM 2130 N N . GLY A 1 281 ? 35.804 9.158 5.856 1.00 49.76 ? 622 GLY A N 1 ATOM 2131 C CA . GLY A 1 281 ? 36.737 9.249 6.969 1.00 49.82 ? 622 GLY A CA 1 ATOM 2132 C C . GLY A 1 281 ? 38.155 8.914 6.536 1.00 50.07 ? 622 GLY A C 1 ATOM 2133 O O . GLY A 1 281 ? 38.364 8.268 5.508 1.00 50.23 ? 622 GLY A O 1 ATOM 2134 N N . LYS A 1 282 ? 39.129 9.335 7.335 1.00 49.92 ? 623 LYS A N 1 ATOM 2135 C CA . LYS A 1 282 ? 40.544 9.110 7.049 1.00 49.37 ? 623 LYS A CA 1 ATOM 2136 C C . LYS A 1 282 ? 40.975 7.658 6.892 1.00 48.95 ? 623 LYS A C 1 ATOM 2137 O O . LYS A 1 282 ? 41.696 7.318 5.950 1.00 49.24 ? 623 LYS A O 1 ATOM 2138 C CB . LYS A 1 282 ? 41.405 9.771 8.145 1.00 49.80 ? 623 LYS A CB 1 ATOM 2139 C CG . LYS A 1 282 ? 41.368 11.299 8.180 1.00 50.13 ? 623 LYS A CG 1 ATOM 2140 C CD . LYS A 1 282 ? 42.508 11.934 7.377 1.00 50.56 ? 623 LYS A CD 1 ATOM 2141 C CE . LYS A 1 282 ? 43.801 12.059 8.192 1.00 50.22 ? 623 LYS A CE 1 ATOM 2142 N NZ . LYS A 1 282 ? 44.393 10.752 8.595 1.00 49.71 ? 623 LYS A NZ 1 ATOM 2143 N N . ASN A 1 283 ? 40.521 6.822 7.824 1.00 48.46 ? 624 ASN A N 1 ATOM 2144 C CA . ASN A 1 283 ? 40.845 5.395 7.864 1.00 47.72 ? 624 ASN A CA 1 ATOM 2145 C C . ASN A 1 283 ? 39.765 4.470 7.308 1.00 47.34 ? 624 ASN A C 1 ATOM 2146 O O . ASN A 1 283 ? 39.830 3.252 7.482 1.00 47.57 ? 624 ASN A O 1 ATOM 2147 C CB . ASN A 1 283 ? 41.184 4.973 9.301 1.00 48.11 ? 624 ASN A CB 1 ATOM 2148 C CG . ASN A 1 283 ? 42.253 5.852 9.942 1.00 48.37 ? 624 ASN A CG 1 ATOM 2149 O OD1 . ASN A 1 283 ? 42.909 6.652 9.277 1.00 48.59 ? 624 ASN A OD1 1 ATOM 2150 N ND2 . ASN A 1 283 ? 42.439 5.688 11.247 1.00 47.79 ? 624 ASN A ND2 1 ATOM 2151 N N . CYS A 1 284 ? 38.753 5.060 6.682 1.00 46.69 ? 625 CYS A N 1 ATOM 2152 C CA . CYS A 1 284 ? 37.645 4.295 6.065 1.00 46.06 ? 625 CYS A CA 1 ATOM 2153 C C . CYS A 1 284 ? 37.857 4.550 4.555 1.00 46.56 ? 625 CYS A C 1 ATOM 2154 O O . CYS A 1 284 ? 38.004 5.698 4.127 1.00 46.92 ? 625 CYS A O 1 ATOM 2155 C CB . CYS A 1 284 ? 36.285 4.766 6.569 1.00 44.41 ? 625 CYS A CB 1 ATOM 2156 S SG . CYS A 1 284 ? 34.868 3.917 5.786 1.00 40.66 ? 625 CYS A SG 1 ATOM 2157 N N . PRO A 1 285 ? 37.720 3.507 3.705 1.00 47.38 ? 626 PRO A N 1 ATOM 2158 C CA . PRO A 1 285 ? 37.610 2.069 4.020 1.00 47.71 ? 626 PRO A CA 1 ATOM 2159 C C . PRO A 1 285 ? 38.861 1.358 4.465 1.00 48.59 ? 626 PRO A C 1 ATOM 2160 O O . PRO A 1 285 ? 38.813 0.380 5.213 1.00 49.70 ? 626 PRO A O 1 ATOM 2161 C CB . PRO A 1 285 ? 37.084 1.478 2.693 1.00 46.85 ? 626 PRO A CB 1 ATOM 2162 C CG . PRO A 1 285 ? 36.626 2.649 1.882 1.00 47.45 ? 626 PRO A CG 1 ATOM 2163 C CD . PRO A 1 285 ? 37.558 3.764 2.278 1.00 47.57 ? 626 PRO A CD 1 ATOM 2164 N N . ASP A 1 286 ? 39.998 1.847 3.977 1.00 48.78 ? 627 ASP A N 1 ATOM 2165 C CA . ASP A 1 286 ? 41.317 1.286 4.270 1.00 48.10 ? 627 ASP A CA 1 ATOM 2166 C C . ASP A 1 286 ? 41.488 0.378 5.478 1.00 47.78 ? 627 ASP A C 1 ATOM 2167 O O . ASP A 1 286 ? 41.862 -0.792 5.352 1.00 47.72 ? 627 ASP A O 1 ATOM 2168 C CB . ASP A 1 286 ? 42.371 2.409 4.421 1.00 48.42 ? 627 ASP A CB 1 ATOM 2169 C CG . ASP A 1 286 ? 43.098 2.760 3.114 1.00 49.49 ? 627 ASP A CG 1 ATOM 2170 O OD1 . ASP A 1 286 ? 42.426 3.113 2.119 1.00 49.05 ? 627 ASP A OD1 1 ATOM 2171 O OD2 . ASP A 1 286 ? 44.352 2.688 3.099 1.00 48.73 ? 627 ASP A OD2 1 ATOM 2172 N N . LYS A 1 287 ? 41.165 0.908 6.646 1.00 46.99 ? 628 LYS A N 1 ATOM 2173 C CA . LYS A 1 287 ? 41.376 0.178 7.877 1.00 46.03 ? 628 LYS A CA 1 ATOM 2174 C C . LYS A 1 287 ? 40.181 -0.141 8.743 1.00 45.15 ? 628 LYS A C 1 ATOM 2175 O O . LYS A 1 287 ? 40.100 -1.234 9.298 1.00 45.38 ? 628 LYS A O 1 ATOM 2176 C CB . LYS A 1 287 ? 42.436 0.963 8.668 1.00 46.53 ? 628 LYS A CB 1 ATOM 2177 C CG . LYS A 1 287 ? 43.784 1.085 7.922 1.00 47.19 ? 628 LYS A CG 1 ATOM 2178 C CD . LYS A 1 287 ? 44.768 2.073 8.551 1.00 47.72 ? 628 LYS A CD 1 ATOM 2179 C CE . LYS A 1 287 ? 45.808 2.514 7.524 1.00 47.64 ? 628 LYS A CE 1 ATOM 2180 N NZ . LYS A 1 287 ? 46.777 3.489 8.092 1.00 49.45 ? 628 LYS A NZ 1 ATOM 2181 N N . PHE A 1 288 ? 39.265 0.814 8.858 1.00 43.78 ? 629 PHE A N 1 ATOM 2182 C CA . PHE A 1 288 ? 38.067 0.613 9.664 1.00 41.78 ? 629 PHE A CA 1 ATOM 2183 C C . PHE A 1 288 ? 36.974 1.648 9.398 1.00 41.26 ? 629 PHE A C 1 ATOM 2184 O O . PHE A 1 288 ? 37.232 2.854 9.273 1.00 40.65 ? 629 PHE A O 1 ATOM 2185 C CB . PHE A 1 288 ? 38.424 0.646 11.157 1.00 40.88 ? 629 PHE A CB 1 ATOM 2186 C CG . PHE A 1 288 ? 37.265 0.341 12.079 1.00 38.86 ? 629 PHE A CG 1 ATOM 2187 C CD1 . PHE A 1 288 ? 36.830 -0.969 12.271 1.00 38.25 ? 629 PHE A CD1 1 ATOM 2188 C CD2 . PHE A 1 288 ? 36.586 1.369 12.725 1.00 38.20 ? 629 PHE A CD2 1 ATOM 2189 C CE1 . PHE A 1 288 ? 35.741 -1.248 13.091 1.00 37.96 ? 629 PHE A CE1 1 ATOM 2190 C CE2 . PHE A 1 288 ? 35.495 1.099 13.547 1.00 37.87 ? 629 PHE A CE2 1 ATOM 2191 C CZ . PHE A 1 288 ? 35.071 -0.210 13.727 1.00 37.20 ? 629 PHE A CZ 1 ATOM 2192 N N . CYS A 1 289 ? 35.748 1.151 9.300 1.00 40.47 ? 630 CYS A N 1 ATOM 2193 C CA . CYS A 1 289 ? 34.595 1.999 9.077 1.00 39.78 ? 630 CYS A CA 1 ATOM 2194 C C . CYS A 1 289 ? 33.572 1.759 10.176 1.00 39.59 ? 630 CYS A C 1 ATOM 2195 O O . CYS A 1 289 ? 33.141 0.634 10.428 1.00 40.33 ? 630 CYS A O 1 ATOM 2196 C CB . CYS A 1 289 ? 33.959 1.709 7.729 1.00 40.41 ? 630 CYS A CB 1 ATOM 2197 S SG . CYS A 1 289 ? 35.060 1.958 6.298 1.00 39.44 ? 630 CYS A SG 1 ATOM 2198 N N . LEU A 1 290 ? 33.206 2.840 10.840 1.00 38.97 ? 631 LEU A N 1 ATOM 2199 C CA . LEU A 1 290 ? 32.249 2.820 11.929 1.00 38.35 ? 631 LEU A CA 1 ATOM 2200 C C . LEU A 1 290 ? 30.836 2.462 11.451 1.00 38.51 ? 631 LEU A C 1 ATOM 2201 O O . LEU A 1 290 ? 30.101 1.750 12.141 1.00 37.55 ? 631 LEU A O 1 ATOM 2202 C CB . LEU A 1 290 ? 32.219 4.207 12.576 1.00 38.12 ? 631 LEU A CB 1 ATOM 2203 C CG . LEU A 1 290 ? 31.870 4.350 14.062 1.00 37.94 ? 631 LEU A CG 1 ATOM 2204 C CD1 . LEU A 1 290 ? 32.529 3.234 14.855 1.00 37.09 ? 631 LEU A CD1 1 ATOM 2205 C CD2 . LEU A 1 290 ? 32.338 5.715 14.544 1.00 37.66 ? 631 LEU A CD2 1 ATOM 2206 N N . PHE A 1 291 ? 30.469 2.944 10.264 1.00 39.65 ? 632 PHE A N 1 ATOM 2207 C CA . PHE A 1 291 ? 29.134 2.719 9.714 1.00 40.08 ? 632 PHE A CA 1 ATOM 2208 C C . PHE A 1 291 ? 28.917 1.464 8.857 1.00 41.01 ? 632 PHE A C 1 ATOM 2209 O O . PHE A 1 291 ? 27.906 1.343 8.161 1.00 41.30 ? 632 PHE A O 1 ATOM 2210 C CB . PHE A 1 291 ? 28.690 4.000 8.964 1.00 39.02 ? 632 PHE A CB 1 ATOM 2211 C CG . PHE A 1 291 ? 29.005 5.296 9.715 1.00 38.19 ? 632 PHE A CG 1 ATOM 2212 C CD1 . PHE A 1 291 ? 28.654 5.454 11.059 1.00 38.09 ? 632 PHE A CD1 1 ATOM 2213 C CD2 . PHE A 1 291 ? 29.649 6.351 9.072 1.00 36.86 ? 632 PHE A CD2 1 ATOM 2214 C CE1 . PHE A 1 291 ? 28.952 6.643 11.750 1.00 37.66 ? 632 PHE A CE1 1 ATOM 2215 C CE2 . PHE A 1 291 ? 29.951 7.541 9.752 1.00 36.92 ? 632 PHE A CE2 1 ATOM 2216 C CZ . PHE A 1 291 ? 29.599 7.687 11.091 1.00 36.27 ? 632 PHE A CZ 1 ATOM 2217 N N . LYS A 1 292 ? 29.862 0.532 8.919 1.00 42.43 ? 633 LYS A N 1 ATOM 2218 C CA . LYS A 1 292 ? 29.737 -0.718 8.177 1.00 43.87 ? 633 LYS A CA 1 ATOM 2219 C C . LYS A 1 292 ? 29.848 -1.962 9.060 1.00 44.45 ? 633 LYS A C 1 ATOM 2220 O O . LYS A 1 292 ? 30.750 -2.077 9.888 1.00 44.12 ? 633 LYS A O 1 ATOM 2221 C CB . LYS A 1 292 ? 30.786 -0.817 7.061 1.00 45.07 ? 633 LYS A CB 1 ATOM 2222 C CG . LYS A 1 292 ? 30.491 0.084 5.882 1.00 46.26 ? 633 LYS A CG 1 ATOM 2223 C CD . LYS A 1 292 ? 29.093 -0.181 5.366 1.00 47.56 ? 633 LYS A CD 1 ATOM 2224 C CE . LYS A 1 292 ? 28.383 1.104 4.994 1.00 48.76 ? 633 LYS A CE 1 ATOM 2225 N NZ . LYS A 1 292 ? 26.948 0.827 4.699 1.00 50.82 ? 633 LYS A NZ 1 ATOM 2226 N N . SER A 1 293 ? 28.895 -2.877 8.895 1.00 45.60 ? 634 SER A N 1 ATOM 2227 C CA . SER A 1 293 ? 28.879 -4.137 9.632 1.00 46.42 ? 634 SER A CA 1 ATOM 2228 C C . SER A 1 293 ? 28.187 -5.229 8.810 1.00 47.42 ? 634 SER A C 1 ATOM 2229 O O . SER A 1 293 ? 27.431 -6.036 9.346 1.00 47.22 ? 634 SER A O 1 ATOM 2230 C CB . SER A 1 293 ? 28.191 -3.985 11.000 1.00 46.21 ? 634 SER A CB 1 ATOM 2231 O OG . SER A 1 293 ? 26.872 -3.491 10.897 1.00 45.14 ? 634 SER A OG 1 ATOM 2232 N N . GLU A 1 294 ? 28.472 -5.244 7.504 1.00 48.52 ? 635 GLU A N 1 ATOM 2233 C CA . GLU A 1 294 ? 27.915 -6.218 6.552 1.00 48.86 ? 635 GLU A CA 1 ATOM 2234 C C . GLU A 1 294 ? 26.394 -6.404 6.745 1.00 48.24 ? 635 GLU A C 1 ATOM 2235 O O . GLU A 1 294 ? 25.918 -7.522 6.904 1.00 47.87 ? 635 GLU A O 1 ATOM 2236 C CB . GLU A 1 294 ? 28.640 -7.578 6.704 1.00 50.28 ? 635 GLU A CB 1 ATOM 2237 C CG . GLU A 1 294 ? 30.181 -7.540 6.573 1.00 51.96 ? 635 GLU A CG 1 ATOM 2238 C CD . GLU A 1 294 ? 30.822 -8.931 6.596 1.00 53.61 ? 635 GLU A CD 1 ATOM 2239 O OE1 . GLU A 1 294 ? 31.954 -9.085 6.077 1.00 54.27 ? 635 GLU A OE1 1 ATOM 2240 O OE2 . GLU A 1 294 ? 30.199 -9.867 7.140 1.00 54.14 ? 635 GLU A OE2 1 ATOM 2241 N N . THR A 1 295 ? 25.664 -5.288 6.698 1.00 47.73 ? 636 THR A N 1 ATOM 2242 C CA . THR A 1 295 ? 24.202 -5.187 6.875 1.00 46.44 ? 636 THR A CA 1 ATOM 2243 C C . THR A 1 295 ? 23.633 -5.654 8.208 1.00 44.84 ? 636 THR A C 1 ATOM 2244 O O . THR A 1 295 ? 22.414 -5.702 8.371 1.00 44.84 ? 636 THR A O 1 ATOM 2245 C CB . THR A 1 295 ? 23.365 -5.933 5.778 1.00 47.00 ? 636 THR A CB 1 ATOM 2246 O OG1 . THR A 1 295 ? 23.687 -7.331 5.777 1.00 46.94 ? 636 THR A OG1 1 ATOM 2247 C CG2 . THR A 1 295 ? 23.596 -5.318 4.395 1.00 46.90 ? 636 THR A CG2 1 ATOM 2248 N N . LYS A 1 296 ? 24.495 -5.952 9.176 1.00 43.33 ? 637 LYS A N 1 ATOM 2249 C CA . LYS A 1 296 ? 24.041 -6.421 10.490 1.00 40.96 ? 637 LYS A CA 1 ATOM 2250 C C . LYS A 1 296 ? 23.580 -5.297 11.429 1.00 38.81 ? 637 LYS A C 1 ATOM 2251 O O . LYS A 1 296 ? 23.010 -5.555 12.489 1.00 39.00 ? 637 LYS A O 1 ATOM 2252 C CB . LYS A 1 296 ? 25.136 -7.249 11.167 1.00 42.28 ? 637 LYS A CB 1 ATOM 2253 C CG . LYS A 1 296 ? 24.975 -8.751 10.994 1.00 42.62 ? 637 LYS A CG 1 ATOM 2254 C CD . LYS A 1 296 ? 26.025 -9.514 11.783 1.00 43.21 ? 637 LYS A CD 1 ATOM 2255 C CE . LYS A 1 296 ? 26.477 -10.761 11.040 1.00 44.34 ? 637 LYS A CE 1 ATOM 2256 N NZ . LYS A 1 296 ? 26.022 -12.006 11.718 1.00 45.24 ? 637 LYS A NZ 1 ATOM 2257 N N . ASN A 1 297 ? 23.835 -4.056 11.028 1.00 36.32 ? 638 ASN A N 1 ATOM 2258 C CA . ASN A 1 297 ? 23.486 -2.858 11.811 1.00 34.23 ? 638 ASN A CA 1 ATOM 2259 C C . ASN A 1 297 ? 24.109 -2.891 13.223 1.00 33.37 ? 638 ASN A C 1 ATOM 2260 O O . ASN A 1 297 ? 23.414 -2.701 14.226 1.00 33.67 ? 638 ASN A O 1 ATOM 2261 C CB . ASN A 1 297 ? 21.951 -2.685 11.921 1.00 34.53 ? 638 ASN A CB 1 ATOM 2262 C CG . ASN A 1 297 ? 21.272 -2.412 10.559 1.00 33.44 ? 638 ASN A CG 1 ATOM 2263 O OD1 . ASN A 1 297 ? 21.881 -1.847 9.646 1.00 34.27 ? 638 ASN A OD1 1 ATOM 2264 N ND2 . ASN A 1 297 ? 20.007 -2.793 10.441 1.00 30.63 ? 638 ASN A ND2 1 ATOM 2265 N N . LEU A 1 298 ? 25.428 -3.091 13.305 1.00 31.53 ? 639 LEU A N 1 ATOM 2266 C CA . LEU A 1 298 ? 26.117 -3.143 14.604 1.00 29.59 ? 639 LEU A CA 1 ATOM 2267 C C . LEU A 1 298 ? 26.615 -1.760 15.077 1.00 28.72 ? 639 LEU A C 1 ATOM 2268 O O . LEU A 1 298 ? 27.421 -1.099 14.421 1.00 27.37 ? 639 LEU A O 1 ATOM 2269 C CB . LEU A 1 298 ? 27.272 -4.182 14.549 1.00 29.46 ? 639 LEU A CB 1 ATOM 2270 C CG . LEU A 1 298 ? 26.964 -5.629 14.057 1.00 28.24 ? 639 LEU A CG 1 ATOM 2271 C CD1 . LEU A 1 298 ? 28.268 -6.386 13.854 1.00 27.48 ? 639 LEU A CD1 1 ATOM 2272 C CD2 . LEU A 1 298 ? 26.069 -6.375 15.055 1.00 28.46 ? 639 LEU A CD2 1 ATOM 2273 N N . LEU A 1 299 ? 26.081 -1.372 16.239 1.00 27.98 ? 640 LEU A N 1 ATOM 2274 C CA . LEU A 1 299 ? 26.296 -0.110 16.975 1.00 26.06 ? 640 LEU A CA 1 ATOM 2275 C C . LEU A 1 299 ? 25.686 1.103 16.236 1.00 25.29 ? 640 LEU A C 1 ATOM 2276 O O . LEU A 1 299 ? 25.314 2.100 16.856 1.00 24.62 ? 640 LEU A O 1 ATOM 2277 C CB . LEU A 1 299 ? 27.784 0.149 17.266 1.00 26.61 ? 640 LEU A CB 1 ATOM 2278 C CG . LEU A 1 299 ? 28.698 -0.926 17.890 1.00 26.62 ? 640 LEU A CG 1 ATOM 2279 C CD1 . LEU A 1 299 ? 30.120 -0.525 17.513 1.00 25.36 ? 640 LEU A CD1 1 ATOM 2280 C CD2 . LEU A 1 299 ? 28.543 -1.072 19.413 1.00 24.32 ? 640 LEU A CD2 1 ATOM 2281 N N . PHE A 1 300 ? 25.579 1.006 14.913 1.00 24.96 ? 641 PHE A N 1 ATOM 2282 C CA . PHE A 1 300 ? 24.989 2.065 14.092 1.00 25.49 ? 641 PHE A CA 1 ATOM 2283 C C . PHE A 1 300 ? 24.383 1.454 12.845 1.00 24.74 ? 641 PHE A C 1 ATOM 2284 O O . PHE A 1 300 ? 24.943 0.524 12.267 1.00 24.73 ? 641 PHE A O 1 ATOM 2285 C CB . PHE A 1 300 ? 26.020 3.069 13.576 1.00 25.47 ? 641 PHE A CB 1 ATOM 2286 C CG . PHE A 1 300 ? 26.832 3.727 14.635 1.00 27.28 ? 641 PHE A CG 1 ATOM 2287 C CD1 . PHE A 1 300 ? 26.318 4.783 15.374 1.00 27.60 ? 641 PHE A CD1 1 ATOM 2288 C CD2 . PHE A 1 300 ? 28.120 3.284 14.898 1.00 26.62 ? 641 PHE A CD2 1 ATOM 2289 C CE1 . PHE A 1 300 ? 27.074 5.387 16.366 1.00 25.45 ? 641 PHE A CE1 1 ATOM 2290 C CE2 . PHE A 1 300 ? 28.885 3.874 15.881 1.00 25.74 ? 641 PHE A CE2 1 ATOM 2291 C CZ . PHE A 1 300 ? 28.360 4.933 16.620 1.00 25.69 ? 641 PHE A CZ 1 ATOM 2292 N N . ASN A 1 301 ? 23.238 1.983 12.432 1.00 24.62 ? 642 ASN A N 1 ATOM 2293 C CA . ASN A 1 301 ? 22.592 1.511 11.222 1.00 22.91 ? 642 ASN A CA 1 ATOM 2294 C C . ASN A 1 301 ? 23.672 1.707 10.144 1.00 24.15 ? 642 ASN A C 1 ATOM 2295 O O . ASN A 1 301 ? 24.482 2.646 10.192 1.00 23.19 ? 642 ASN A O 1 ATOM 2296 C CB . ASN A 1 301 ? 21.332 2.340 10.943 1.00 20.33 ? 642 ASN A CB 1 ATOM 2297 C CG . ASN A 1 301 ? 20.193 1.987 11.887 1.00 19.60 ? 642 ASN A CG 1 ATOM 2298 O OD1 . ASN A 1 301 ? 19.885 0.809 12.069 1.00 19.99 ? 642 ASN A OD1 1 ATOM 2299 N ND2 . ASN A 1 301 ? 19.572 2.992 12.494 1.00 17.14 ? 642 ASN A ND2 1 ATOM 2300 N N . ASP A 1 302 ? 23.690 0.790 9.185 1.00 26.36 ? 643 ASP A N 1 ATOM 2301 C CA . ASP A 1 302 ? 24.674 0.801 8.112 1.00 27.61 ? 643 ASP A CA 1 ATOM 2302 C C . ASP A 1 302 ? 24.515 1.906 7.102 1.00 28.10 ? 643 ASP A C 1 ATOM 2303 O O . ASP A 1 302 ? 25.457 2.222 6.375 1.00 28.57 ? 643 ASP A O 1 ATOM 2304 C CB . ASP A 1 302 ? 24.688 -0.559 7.404 1.00 29.12 ? 643 ASP A CB 1 ATOM 2305 C CG . ASP A 1 302 ? 25.674 -1.535 8.027 1.00 30.68 ? 643 ASP A CG 1 ATOM 2306 O OD1 . ASP A 1 302 ? 26.521 -1.098 8.829 1.00 33.62 ? 643 ASP A OD1 1 ATOM 2307 O OD2 . ASP A 1 302 ? 25.619 -2.736 7.700 1.00 31.90 ? 643 ASP A OD2 1 ATOM 2308 N N . ASN A 1 303 ? 23.340 2.517 7.065 1.00 27.66 ? 644 ASN A N 1 ATOM 2309 C CA . ASN A 1 303 ? 23.141 3.592 6.118 1.00 28.76 ? 644 ASN A CA 1 ATOM 2310 C C . ASN A 1 303 ? 23.454 4.983 6.649 1.00 29.53 ? 644 ASN A C 1 ATOM 2311 O O . ASN A 1 303 ? 23.064 5.973 6.048 1.00 31.92 ? 644 ASN A O 1 ATOM 2312 C CB . ASN A 1 303 ? 21.714 3.564 5.526 1.00 28.34 ? 644 ASN A CB 1 ATOM 2313 C CG . ASN A 1 303 ? 20.605 3.753 6.566 1.00 27.13 ? 644 ASN A CG 1 ATOM 2314 O OD1 . ASN A 1 303 ? 20.854 3.967 7.750 1.00 25.37 ? 644 ASN A OD1 1 ATOM 2315 N ND2 . ASN A 1 303 ? 19.360 3.668 6.102 1.00 26.34 ? 644 ASN A ND2 1 ATOM 2316 N N . THR A 1 304 ? 24.190 5.075 7.745 1.00 30.29 ? 645 THR A N 1 ATOM 2317 C CA . THR A 1 304 ? 24.529 6.383 8.291 1.00 31.05 ? 645 THR A CA 1 ATOM 2318 C C . THR A 1 304 ? 25.687 7.041 7.540 1.00 31.63 ? 645 THR A C 1 ATOM 2319 O O . THR A 1 304 ? 26.704 6.402 7.276 1.00 31.94 ? 645 THR A O 1 ATOM 2320 C CB . THR A 1 304 ? 24.942 6.268 9.790 1.00 30.66 ? 645 THR A CB 1 ATOM 2321 O OG1 . THR A 1 304 ? 23.993 5.458 10.487 1.00 30.83 ? 645 THR A OG1 1 ATOM 2322 C CG2 . THR A 1 304 ? 24.979 7.637 10.461 1.00 29.80 ? 645 THR A CG2 1 ATOM 2323 N N . GLU A 1 305 ? 25.523 8.300 7.152 1.00 33.15 ? 646 GLU A N 1 ATOM 2324 C CA . GLU A 1 305 ? 26.619 8.982 6.470 1.00 34.04 ? 646 GLU A CA 1 ATOM 2325 C C . GLU A 1 305 ? 27.434 9.710 7.553 1.00 33.02 ? 646 GLU A C 1 ATOM 2326 O O . GLU A 1 305 ? 28.649 9.880 7.420 1.00 34.23 ? 646 GLU A O 1 ATOM 2327 C CB . GLU A 1 305 ? 26.125 10.003 5.446 1.00 35.90 ? 646 GLU A CB 1 ATOM 2328 C CG . GLU A 1 305 ? 27.241 10.951 5.024 1.00 39.44 ? 646 GLU A CG 1 ATOM 2329 C CD . GLU A 1 305 ? 26.741 12.173 4.284 1.00 40.94 ? 646 GLU A CD 1 ATOM 2330 O OE1 . GLU A 1 305 ? 25.638 12.098 3.705 1.00 41.48 ? 646 GLU A OE1 1 ATOM 2331 O OE2 . GLU A 1 305 ? 27.461 13.197 4.269 1.00 40.71 ? 646 GLU A OE2 1 ATOM 2332 N N . CYS A 1 306 ? 26.770 10.135 8.627 1.00 32.69 ? 647 CYS A N 1 ATOM 2333 C CA . CYS A 1 306 ? 27.462 10.816 9.724 1.00 32.13 ? 647 CYS A CA 1 ATOM 2334 C C . CYS A 1 306 ? 26.541 10.966 10.920 1.00 30.35 ? 647 CYS A C 1 ATOM 2335 O O . CYS A 1 306 ? 25.333 10.716 10.831 1.00 28.76 ? 647 CYS A O 1 ATOM 2336 C CB . CYS A 1 306 ? 27.870 12.238 9.329 1.00 33.63 ? 647 CYS A CB 1 ATOM 2337 S SG . CYS A 1 306 ? 26.434 13.384 9.370 1.00 33.95 ? 647 CYS A SG 1 ATOM 2338 N N . LEU A 1 307 ? 27.134 11.340 12.053 1.00 29.99 ? 648 LEU A N 1 ATOM 2339 C CA . LEU A 1 307 ? 26.361 11.602 13.267 1.00 29.87 ? 648 LEU A CA 1 ATOM 2340 C C . LEU A 1 307 ? 26.273 13.157 13.237 1.00 29.72 ? 648 LEU A C 1 ATOM 2341 O O . LEU A 1 307 ? 27.292 13.862 13.318 1.00 29.68 ? 648 LEU A O 1 ATOM 2342 C CB . LEU A 1 307 ? 27.104 11.143 14.531 1.00 28.99 ? 648 LEU A CB 1 ATOM 2343 C CG . LEU A 1 307 ? 27.162 9.610 14.617 1.00 29.63 ? 648 LEU A CG 1 ATOM 2344 C CD1 . LEU A 1 307 ? 28.342 9.177 15.484 1.00 30.20 ? 648 LEU A CD1 1 ATOM 2345 C CD2 . LEU A 1 307 ? 25.847 9.080 15.184 1.00 28.17 ? 648 LEU A CD2 1 ATOM 2346 N N . ALA A 1 308 ? 25.066 13.696 13.097 1.00 30.25 ? 649 ALA A N 1 ATOM 2347 C CA . ALA A 1 308 ? 24.855 15.146 13.048 1.00 30.82 ? 649 ALA A CA 1 ATOM 2348 C C . ALA A 1 308 ? 24.737 15.745 14.439 1.00 31.10 ? 649 ALA A C 1 ATOM 2349 O O . ALA A 1 308 ? 24.477 15.027 15.402 1.00 30.84 ? 649 ALA A O 1 ATOM 2350 C CB . ALA A 1 308 ? 23.564 15.467 12.268 1.00 29.82 ? 649 ALA A CB 1 ATOM 2351 N N . LYS A 1 309 ? 24.940 17.062 14.531 1.00 31.79 ? 650 LYS A N 1 ATOM 2352 C CA . LYS A 1 309 ? 24.822 17.795 15.803 1.00 31.70 ? 650 LYS A CA 1 ATOM 2353 C C . LYS A 1 309 ? 23.318 18.147 15.914 1.00 31.89 ? 650 LYS A C 1 ATOM 2354 O O . LYS A 1 309 ? 22.634 18.309 14.894 1.00 31.67 ? 650 LYS A O 1 ATOM 2355 C CB . LYS A 1 309 ? 25.592 19.127 15.778 1.00 30.81 ? 650 LYS A CB 1 ATOM 2356 C CG . LYS A 1 309 ? 27.108 19.062 15.650 1.00 31.62 ? 650 LYS A CG 1 ATOM 2357 C CD . LYS A 1 309 ? 27.718 20.477 15.766 1.00 31.68 ? 650 LYS A CD 1 ATOM 2358 C CE . LYS A 1 309 ? 29.240 20.462 15.968 1.00 33.43 ? 650 LYS A CE 1 ATOM 2359 N NZ . LYS A 1 309 ? 29.842 21.797 16.300 1.00 35.41 ? 650 LYS A NZ 1 ATOM 2360 N N . LEU A 1 310 ? 22.801 18.287 17.129 1.00 32.50 ? 651 LEU A N 1 ATOM 2361 C CA . LEU A 1 310 ? 21.391 18.616 17.303 1.00 32.39 ? 651 LEU A CA 1 ATOM 2362 C C . LEU A 1 310 ? 21.192 20.109 17.525 1.00 33.17 ? 651 LEU A C 1 ATOM 2363 O O . LEU A 1 310 ? 21.701 20.700 18.479 1.00 34.66 ? 651 LEU A O 1 ATOM 2364 C CB . LEU A 1 310 ? 20.806 17.810 18.476 1.00 31.27 ? 651 LEU A CB 1 ATOM 2365 C CG . LEU A 1 310 ? 21.060 16.302 18.311 1.00 29.63 ? 651 LEU A CG 1 ATOM 2366 C CD1 . LEU A 1 310 ? 20.809 15.579 19.623 1.00 28.78 ? 651 LEU A CD1 1 ATOM 2367 C CD2 . LEU A 1 310 ? 20.182 15.754 17.193 1.00 30.40 ? 651 LEU A CD2 1 ATOM 2368 N N . GLY A 1 311 ? 20.454 20.719 16.615 1.00 34.80 ? 652 GLY A N 1 ATOM 2369 C CA . GLY A 1 311 ? 20.201 22.133 16.736 1.00 36.03 ? 652 GLY A CA 1 ATOM 2370 C C . GLY A 1 311 ? 19.123 22.388 17.763 1.00 36.76 ? 652 GLY A C 1 ATOM 2371 O O . GLY A 1 311 ? 18.050 21.779 17.708 1.00 36.68 ? 652 GLY A O 1 ATOM 2372 N N . GLY A 1 312 ? 19.448 23.246 18.728 1.00 36.53 ? 653 GLY A N 1 ATOM 2373 C CA . GLY A 1 312 ? 18.513 23.597 19.777 1.00 35.54 ? 653 GLY A CA 1 ATOM 2374 C C . GLY A 1 312 ? 18.776 22.949 21.124 1.00 35.17 ? 653 GLY A C 1 ATOM 2375 O O . GLY A 1 312 ? 17.961 23.120 22.033 1.00 34.89 ? 653 GLY A O 1 ATOM 2376 N N . ARG A 1 313 ? 19.919 22.258 21.243 1.00 34.62 ? 654 ARG A N 1 ATOM 2377 C CA . ARG A 1 313 ? 20.325 21.559 22.444 1.00 33.53 ? 654 ARG A CA 1 ATOM 2378 C C . ARG A 1 313 ? 19.051 21.033 23.063 1.00 31.98 ? 654 ARG A C 1 ATOM 2379 O O . ARG A 1 313 ? 18.681 21.373 24.190 1.00 32.14 ? 654 ARG A O 1 ATOM 2380 C CB . ARG A 1 313 ? 21.054 22.474 23.410 1.00 35.77 ? 654 ARG A CB 1 ATOM 2381 C CG . ARG A 1 313 ? 22.459 22.731 22.945 1.00 38.10 ? 654 ARG A CG 1 ATOM 2382 C CD . ARG A 1 313 ? 23.114 23.780 23.789 1.00 40.22 ? 654 ARG A CD 1 ATOM 2383 N NE . ARG A 1 313 ? 24.570 23.684 23.791 1.00 42.80 ? 654 ARG A NE 1 ATOM 2384 C CZ . ARG A 1 313 ? 25.268 22.813 24.517 1.00 44.45 ? 654 ARG A CZ 1 ATOM 2385 N NH1 . ARG A 1 313 ? 24.646 21.950 25.307 1.00 44.47 ? 654 ARG A NH1 1 ATOM 2386 N NH2 . ARG A 1 313 ? 26.596 22.836 24.490 1.00 45.86 ? 654 ARG A NH2 1 ATOM 2387 N N . PRO A 1 314 ? 18.395 20.100 22.344 1.00 29.52 ? 655 PRO A N 1 ATOM 2388 C CA . PRO A 1 314 ? 17.154 19.542 22.867 1.00 27.61 ? 655 PRO A CA 1 ATOM 2389 C C . PRO A 1 314 ? 17.116 18.485 23.928 1.00 27.19 ? 655 PRO A C 1 ATOM 2390 O O . PRO A 1 314 ? 18.046 17.726 24.103 1.00 27.60 ? 655 PRO A O 1 ATOM 2391 C CB . PRO A 1 314 ? 16.456 19.085 21.617 1.00 26.33 ? 655 PRO A CB 1 ATOM 2392 C CG . PRO A 1 314 ? 17.585 18.587 20.742 1.00 27.14 ? 655 PRO A CG 1 ATOM 2393 C CD . PRO A 1 314 ? 18.851 19.312 21.199 1.00 27.90 ? 655 PRO A CD 1 ATOM 2394 N N . THR A 1 315 ? 16.005 18.492 24.658 1.00 25.55 ? 656 THR A N 1 ATOM 2395 C CA . THR A 1 315 ? 15.799 17.482 25.675 1.00 25.24 ? 656 THR A CA 1 ATOM 2396 C C . THR A 1 315 ? 15.278 16.260 24.879 1.00 25.16 ? 656 THR A C 1 ATOM 2397 O O . THR A 1 315 ? 15.013 16.342 23.662 1.00 24.94 ? 656 THR A O 1 ATOM 2398 C CB . THR A 1 315 ? 14.722 17.900 26.732 1.00 24.98 ? 656 THR A CB 1 ATOM 2399 O OG1 . THR A 1 315 ? 13.510 18.331 26.086 1.00 25.77 ? 656 THR A OG1 1 ATOM 2400 C CG2 . THR A 1 315 ? 15.244 19.037 27.586 1.00 22.66 ? 656 THR A CG2 1 ATOM 2401 N N . TYR A 1 316 ? 15.151 15.123 25.554 1.00 25.07 ? 657 TYR A N 1 ATOM 2402 C CA . TYR A 1 316 ? 14.679 13.901 24.909 1.00 27.02 ? 657 TYR A CA 1 ATOM 2403 C C . TYR A 1 316 ? 13.211 14.034 24.465 1.00 28.37 ? 657 TYR A C 1 ATOM 2404 O O . TYR A 1 316 ? 12.752 13.267 23.624 1.00 28.32 ? 657 TYR A O 1 ATOM 2405 C CB . TYR A 1 316 ? 14.847 12.703 25.859 1.00 26.87 ? 657 TYR A CB 1 ATOM 2406 C CG . TYR A 1 316 ? 13.744 12.504 26.872 1.00 27.43 ? 657 TYR A CG 1 ATOM 2407 C CD1 . TYR A 1 316 ? 12.626 11.720 26.576 1.00 27.42 ? 657 TYR A CD1 1 ATOM 2408 C CD2 . TYR A 1 316 ? 13.817 13.094 28.130 1.00 26.70 ? 657 TYR A CD2 1 ATOM 2409 C CE1 . TYR A 1 316 ? 11.610 11.527 27.518 1.00 27.58 ? 657 TYR A CE1 1 ATOM 2410 C CE2 . TYR A 1 316 ? 12.810 12.912 29.070 1.00 28.13 ? 657 TYR A CE2 1 ATOM 2411 C CZ . TYR A 1 316 ? 11.711 12.130 28.760 1.00 28.02 ? 657 TYR A CZ 1 ATOM 2412 O OH . TYR A 1 316 ? 10.724 11.962 29.704 1.00 28.36 ? 657 TYR A OH 1 ATOM 2413 N N . GLU A 1 317 ? 12.469 14.995 25.019 1.00 29.80 ? 658 GLU A N 1 ATOM 2414 C CA . GLU A 1 317 ? 11.069 15.186 24.618 1.00 30.94 ? 658 GLU A CA 1 ATOM 2415 C C . GLU A 1 317 ? 11.061 16.020 23.348 1.00 30.58 ? 658 GLU A C 1 ATOM 2416 O O . GLU A 1 317 ? 10.322 15.735 22.409 1.00 30.86 ? 658 GLU A O 1 ATOM 2417 C CB . GLU A 1 317 ? 10.280 15.896 25.710 1.00 33.42 ? 658 GLU A CB 1 ATOM 2418 C CG . GLU A 1 317 ? 9.889 14.993 26.858 1.00 38.15 ? 658 GLU A CG 1 ATOM 2419 C CD . GLU A 1 317 ? 9.315 15.778 28.012 1.00 41.31 ? 658 GLU A CD 1 ATOM 2420 O OE1 . GLU A 1 317 ? 9.997 15.888 29.057 1.00 42.85 ? 658 GLU A OE1 1 ATOM 2421 O OE2 . GLU A 1 317 ? 8.186 16.293 27.868 1.00 42.51 ? 658 GLU A OE2 1 ATOM 2422 N N . GLU A 1 318 ? 11.887 17.057 23.318 1.00 29.48 ? 659 GLU A N 1 ATOM 2423 C CA . GLU A 1 318 ? 11.965 17.891 22.133 1.00 28.92 ? 659 GLU A CA 1 ATOM 2424 C C . GLU A 1 318 ? 12.559 17.070 20.991 1.00 28.47 ? 659 GLU A C 1 ATOM 2425 O O . GLU A 1 318 ? 12.119 17.216 19.851 1.00 28.45 ? 659 GLU A O 1 ATOM 2426 C CB . GLU A 1 318 ? 12.852 19.101 22.385 1.00 29.32 ? 659 GLU A CB 1 ATOM 2427 C CG . GLU A 1 318 ? 12.260 20.081 23.342 1.00 29.96 ? 659 GLU A CG 1 ATOM 2428 C CD . GLU A 1 318 ? 13.301 21.011 23.877 1.00 31.53 ? 659 GLU A CD 1 ATOM 2429 O OE1 . GLU A 1 318 ? 14.333 20.500 24.367 1.00 33.11 ? 659 GLU A OE1 1 ATOM 2430 O OE2 . GLU A 1 318 ? 13.081 22.234 23.809 1.00 32.93 ? 659 GLU A OE2 1 ATOM 2431 N N . TYR A 1 319 ? 13.553 16.220 21.281 1.00 28.25 ? 660 TYR A N 1 ATOM 2432 C CA . TYR A 1 319 ? 14.163 15.411 20.222 1.00 27.27 ? 660 TYR A CA 1 ATOM 2433 C C . TYR A 1 319 ? 13.182 14.346 19.740 1.00 26.63 ? 660 TYR A C 1 ATOM 2434 O O . TYR A 1 319 ? 13.034 14.172 18.539 1.00 25.69 ? 660 TYR A O 1 ATOM 2435 C CB . TYR A 1 319 ? 15.459 14.716 20.666 1.00 26.54 ? 660 TYR A CB 1 ATOM 2436 C CG . TYR A 1 319 ? 16.077 13.898 19.543 1.00 26.76 ? 660 TYR A CG 1 ATOM 2437 C CD1 . TYR A 1 319 ? 16.921 14.485 18.599 1.00 26.96 ? 660 TYR A CD1 1 ATOM 2438 C CD2 . TYR A 1 319 ? 15.744 12.551 19.379 1.00 26.41 ? 660 TYR A CD2 1 ATOM 2439 C CE1 . TYR A 1 319 ? 17.410 13.753 17.520 1.00 27.26 ? 660 TYR A CE1 1 ATOM 2440 C CE2 . TYR A 1 319 ? 16.229 11.811 18.306 1.00 26.02 ? 660 TYR A CE2 1 ATOM 2441 C CZ . TYR A 1 319 ? 17.060 12.420 17.381 1.00 26.99 ? 660 TYR A CZ 1 ATOM 2442 O OH . TYR A 1 319 ? 17.563 11.699 16.327 1.00 27.47 ? 660 TYR A OH 1 ATOM 2443 N N . LEU A 1 320 ? 12.512 13.640 20.654 1.00 27.59 ? 661 LEU A N 1 ATOM 2444 C CA . LEU A 1 320 ? 11.544 12.620 20.239 1.00 28.76 ? 661 LEU A CA 1 ATOM 2445 C C . LEU A 1 320 ? 10.264 13.265 19.679 1.00 29.85 ? 661 LEU A C 1 ATOM 2446 O O . LEU A 1 320 ? 9.533 12.632 18.910 1.00 30.34 ? 661 LEU A O 1 ATOM 2447 C CB . LEU A 1 320 ? 11.192 11.662 21.401 1.00 27.28 ? 661 LEU A CB 1 ATOM 2448 C CG . LEU A 1 320 ? 12.272 10.639 21.842 1.00 27.46 ? 661 LEU A CG 1 ATOM 2449 C CD1 . LEU A 1 320 ? 11.637 9.651 22.829 1.00 26.21 ? 661 LEU A CD1 1 ATOM 2450 C CD2 . LEU A 1 320 ? 12.848 9.889 20.620 1.00 26.30 ? 661 LEU A CD2 1 ATOM 2451 N N . GLY A 1 321 ? 10.002 14.521 20.051 1.00 30.41 ? 662 GLY A N 1 ATOM 2452 C CA . GLY A 1 321 ? 8.825 15.221 19.554 1.00 30.59 ? 662 GLY A CA 1 ATOM 2453 C C . GLY A 1 321 ? 7.575 14.937 20.357 1.00 32.40 ? 662 GLY A C 1 ATOM 2454 O O . GLY A 1 321 ? 7.379 13.801 20.792 1.00 31.34 ? 662 GLY A O 1 ATOM 2455 N N . THR A 1 322 ? 6.703 15.940 20.488 1.00 34.30 ? 663 THR A N 1 ATOM 2456 C CA . THR A 1 322 ? 5.470 15.814 21.272 1.00 36.70 ? 663 THR A CA 1 ATOM 2457 C C . THR A 1 322 ? 4.484 14.736 20.848 1.00 36.98 ? 663 THR A C 1 ATOM 2458 O O . THR A 1 322 ? 3.882 14.082 21.693 1.00 37.88 ? 663 THR A O 1 ATOM 2459 C CB . THR A 1 322 ? 4.753 17.202 21.420 1.00 37.54 ? 663 THR A CB 1 ATOM 2460 O OG1 . THR A 1 322 ? 5.732 18.259 21.384 1.00 38.11 ? 663 THR A OG1 1 ATOM 2461 C CG2 . THR A 1 322 ? 4.042 17.271 22.788 1.00 36.85 ? 663 THR A CG2 1 ATOM 2462 N N . GLU A 1 323 ? 4.317 14.561 19.548 1.00 37.75 ? 664 GLU A N 1 ATOM 2463 C CA . GLU A 1 323 ? 3.446 13.521 19.013 1.00 38.45 ? 664 GLU A CA 1 ATOM 2464 C C . GLU A 1 323 ? 3.694 12.113 19.546 1.00 38.37 ? 664 GLU A C 1 ATOM 2465 O O . GLU A 1 323 ? 2.841 11.451 20.143 1.00 38.32 ? 664 GLU A O 1 ATOM 2466 C CB . GLU A 1 323 ? 3.739 13.294 17.535 1.00 40.20 ? 664 GLU A CB 1 ATOM 2467 C CG . GLU A 1 323 ? 3.150 14.252 16.548 1.00 42.16 ? 664 GLU A CG 1 ATOM 2468 C CD . GLU A 1 323 ? 3.303 13.729 15.136 1.00 43.47 ? 664 GLU A CD 1 ATOM 2469 O OE1 . GLU A 1 323 ? 4.371 13.147 14.840 1.00 44.13 ? 664 GLU A OE1 1 ATOM 2470 O OE2 . GLU A 1 323 ? 2.373 13.904 14.323 1.00 45.16 ? 664 GLU A OE2 1 ATOM 2471 N N . TYR A 1 324 ? 4.915 11.674 19.280 1.00 37.27 ? 665 TYR A N 1 ATOM 2472 C CA . TYR A 1 324 ? 5.433 10.400 19.722 1.00 36.31 ? 665 TYR A CA 1 ATOM 2473 C C . TYR A 1 324 ? 5.482 10.117 21.208 1.00 36.98 ? 665 TYR A C 1 ATOM 2474 O O . TYR A 1 324 ? 5.100 9.022 21.632 1.00 36.70 ? 665 TYR A O 1 ATOM 2475 C CB . TYR A 1 324 ? 6.813 10.206 19.091 1.00 33.44 ? 665 TYR A CB 1 ATOM 2476 C CG . TYR A 1 324 ? 7.407 8.827 19.244 1.00 32.98 ? 665 TYR A CG 1 ATOM 2477 C CD1 . TYR A 1 324 ? 6.601 7.688 19.277 1.00 31.37 ? 665 TYR A CD1 1 ATOM 2478 C CD2 . TYR A 1 324 ? 8.785 8.661 19.332 1.00 31.88 ? 665 TYR A CD2 1 ATOM 2479 C CE1 . TYR A 1 324 ? 7.164 6.418 19.389 1.00 31.04 ? 665 TYR A CE1 1 ATOM 2480 C CE2 . TYR A 1 324 ? 9.352 7.414 19.442 1.00 30.85 ? 665 TYR A CE2 1 ATOM 2481 C CZ . TYR A 1 324 ? 8.545 6.297 19.475 1.00 31.48 ? 665 TYR A CZ 1 ATOM 2482 O OH . TYR A 1 324 ? 9.143 5.069 19.601 1.00 30.80 ? 665 TYR A OH 1 ATOM 2483 N N . VAL A 1 325 ? 5.907 11.102 21.997 1.00 38.53 ? 666 VAL A N 1 ATOM 2484 C CA . VAL A 1 325 ? 6.021 10.907 23.436 1.00 39.72 ? 666 VAL A CA 1 ATOM 2485 C C . VAL A 1 325 ? 4.703 10.610 24.128 1.00 40.63 ? 666 VAL A C 1 ATOM 2486 O O . VAL A 1 325 ? 4.685 9.880 25.123 1.00 41.19 ? 666 VAL A O 1 ATOM 2487 C CB . VAL A 1 325 ? 6.750 12.103 24.136 1.00 40.14 ? 666 VAL A CB 1 ATOM 2488 C CG1 . VAL A 1 325 ? 7.133 11.700 25.549 1.00 39.43 ? 666 VAL A CG1 1 ATOM 2489 C CG2 . VAL A 1 325 ? 8.014 12.473 23.358 1.00 41.08 ? 666 VAL A CG2 1 ATOM 2490 N N . THR A 1 326 ? 3.603 11.171 23.633 1.00 41.16 ? 667 THR A N 1 ATOM 2491 C CA . THR A 1 326 ? 2.326 10.857 24.260 1.00 42.15 ? 667 THR A CA 1 ATOM 2492 C C . THR A 1 326 ? 1.830 9.513 23.685 1.00 41.88 ? 667 THR A C 1 ATOM 2493 O O . THR A 1 326 ? 1.024 8.828 24.312 1.00 42.11 ? 667 THR A O 1 ATOM 2494 C CB . THR A 1 326 ? 1.274 11.960 24.057 1.00 42.53 ? 667 THR A CB 1 ATOM 2495 O OG1 . THR A 1 326 ? 1.889 13.130 23.500 1.00 42.22 ? 667 THR A OG1 1 ATOM 2496 C CG2 . THR A 1 326 ? 0.686 12.335 25.421 1.00 42.70 ? 667 THR A CG2 1 ATOM 2497 N N . ALA A 1 327 ? 2.321 9.127 22.503 1.00 41.77 ? 668 ALA A N 1 ATOM 2498 C CA . ALA A 1 327 ? 1.942 7.844 21.892 1.00 41.11 ? 668 ALA A CA 1 ATOM 2499 C C . ALA A 1 327 ? 2.578 6.753 22.780 1.00 41.02 ? 668 ALA A C 1 ATOM 2500 O O . ALA A 1 327 ? 1.894 5.823 23.206 1.00 41.08 ? 668 ALA A O 1 ATOM 2501 C CB . ALA A 1 327 ? 2.492 7.742 20.455 1.00 40.28 ? 668 ALA A CB 1 ATOM 2502 N N . ILE A 1 328 ? 3.880 6.864 23.061 1.00 40.60 ? 669 ILE A N 1 ATOM 2503 C CA . ILE A 1 328 ? 4.572 5.882 23.902 1.00 40.98 ? 669 ILE A CA 1 ATOM 2504 C C . ILE A 1 328 ? 3.965 5.835 25.321 1.00 41.36 ? 669 ILE A C 1 ATOM 2505 O O . ILE A 1 328 ? 3.845 4.755 25.892 1.00 41.76 ? 669 ILE A O 1 ATOM 2506 C CB . ILE A 1 328 ? 6.104 6.215 24.044 1.00 40.53 ? 669 ILE A CB 1 ATOM 2507 C CG1 . ILE A 1 328 ? 6.751 6.283 22.658 1.00 40.01 ? 669 ILE A CG1 1 ATOM 2508 C CG2 . ILE A 1 328 ? 6.826 5.116 24.850 1.00 40.66 ? 669 ILE A CG2 1 ATOM 2509 C CD1 . ILE A 1 328 ? 8.082 7.013 22.634 1.00 39.91 ? 669 ILE A CD1 1 ATOM 2510 N N . ALA A 1 329 ? 3.556 6.978 25.883 1.00 41.95 ? 670 ALA A N 1 ATOM 2511 C CA . ALA A 1 329 ? 3.001 6.998 27.247 1.00 42.72 ? 670 ALA A CA 1 ATOM 2512 C C . ALA A 1 329 ? 1.667 6.257 27.411 1.00 43.35 ? 670 ALA A C 1 ATOM 2513 O O . ALA A 1 329 ? 1.533 5.419 28.311 1.00 44.28 ? 670 ALA A O 1 ATOM 2514 C CB . ALA A 1 329 ? 2.893 8.445 27.739 1.00 43.14 ? 670 ALA A CB 1 ATOM 2515 N N . ASN A 1 330 ? 0.696 6.576 26.551 1.00 43.72 ? 671 ASN A N 1 ATOM 2516 C CA . ASN A 1 330 ? -0.624 5.933 26.549 1.00 44.21 ? 671 ASN A CA 1 ATOM 2517 C C . ASN A 1 330 ? -0.447 4.415 26.294 1.00 44.45 ? 671 ASN A C 1 ATOM 2518 O O . ASN A 1 330 ? -1.042 3.602 26.999 1.00 45.21 ? 671 ASN A O 1 ATOM 2519 C CB . ASN A 1 330 ? -1.508 6.525 25.441 1.00 45.08 ? 671 ASN A CB 1 ATOM 2520 C CG . ASN A 1 330 ? -2.347 7.697 25.919 1.00 45.84 ? 671 ASN A CG 1 ATOM 2521 O OD1 . ASN A 1 330 ? -3.122 7.571 26.866 1.00 46.86 ? 671 ASN A OD1 1 ATOM 2522 N ND2 . ASN A 1 330 ? -2.191 8.844 25.270 1.00 45.69 ? 671 ASN A ND2 1 ATOM 2523 N N . LEU A 1 331 ? 0.337 4.035 25.276 1.00 43.89 ? 672 LEU A N 1 ATOM 2524 C CA . LEU A 1 331 ? 0.584 2.617 24.965 1.00 42.93 ? 672 LEU A CA 1 ATOM 2525 C C . LEU A 1 331 ? 1.146 1.957 26.228 1.00 42.81 ? 672 LEU A C 1 ATOM 2526 O O . LEU A 1 331 ? 0.721 0.859 26.601 1.00 42.08 ? 672 LEU A O 1 ATOM 2527 C CB . LEU A 1 331 ? 1.612 2.465 23.816 1.00 42.56 ? 672 LEU A CB 1 ATOM 2528 C CG . LEU A 1 331 ? 2.233 1.072 23.516 1.00 41.67 ? 672 LEU A CG 1 ATOM 2529 C CD1 . LEU A 1 331 ? 1.173 0.112 22.998 1.00 41.39 ? 672 LEU A CD1 1 ATOM 2530 C CD2 . LEU A 1 331 ? 3.345 1.219 22.481 1.00 41.82 ? 672 LEU A CD2 1 ATOM 2531 N N . LYS A 1 332 ? 2.096 2.624 26.890 1.00 43.14 ? 673 LYS A N 1 ATOM 2532 C CA . LYS A 1 332 ? 2.677 2.062 28.102 1.00 43.68 ? 673 LYS A CA 1 ATOM 2533 C C . LYS A 1 332 ? 1.736 2.097 29.320 1.00 44.46 ? 673 LYS A C 1 ATOM 2534 O O . LYS A 1 332 ? 2.084 1.566 30.376 1.00 44.52 ? 673 LYS A O 1 ATOM 2535 C CB . LYS A 1 332 ? 4.048 2.709 28.408 1.00 42.43 ? 673 LYS A CB 1 ATOM 2536 C CG . LYS A 1 332 ? 5.209 2.128 27.558 1.00 41.45 ? 673 LYS A CG 1 ATOM 2537 C CD . LYS A 1 332 ? 6.563 2.432 28.200 1.00 38.87 ? 673 LYS A CD 1 ATOM 2538 C CE . LYS A 1 332 ? 7.745 2.302 27.229 1.00 38.37 ? 673 LYS A CE 1 ATOM 2539 N NZ . LYS A 1 332 ? 8.251 0.913 27.030 1.00 37.31 ? 673 LYS A NZ 1 ATOM 2540 N N . LYS A 1 333 ? 0.552 2.710 29.175 1.00 45.35 ? 674 LYS A N 1 ATOM 2541 C CA . LYS A 1 333 ? -0.439 2.740 30.270 1.00 46.63 ? 674 LYS A CA 1 ATOM 2542 C C . LYS A 1 333 ? -1.032 1.316 30.341 1.00 46.85 ? 674 LYS A C 1 ATOM 2543 O O . LYS A 1 333 ? -1.555 0.891 31.379 1.00 46.81 ? 674 LYS A O 1 ATOM 2544 C CB . LYS A 1 333 ? -1.574 3.741 29.999 1.00 47.68 ? 674 LYS A CB 1 ATOM 2545 C CG . LYS A 1 333 ? -1.154 5.190 30.191 1.00 49.52 ? 674 LYS A CG 1 ATOM 2546 C CD . LYS A 1 333 ? -2.226 6.027 30.897 1.00 51.24 ? 674 LYS A CD 1 ATOM 2547 C CE . LYS A 1 333 ? -3.454 6.280 30.030 1.00 51.79 ? 674 LYS A CE 1 ATOM 2548 N NZ . LYS A 1 333 ? -4.413 7.208 30.708 1.00 52.01 ? 674 LYS A NZ 1 ATOM 2549 N N . CYS A 1 334 ? -0.948 0.589 29.224 1.00 46.76 ? 675 CYS A N 1 ATOM 2550 C CA . CYS A 1 334 ? -1.438 -0.785 29.138 1.00 46.68 ? 675 CYS A CA 1 ATOM 2551 C C . CYS A 1 334 ? -0.565 -1.753 29.974 1.00 46.26 ? 675 CYS A C 1 ATOM 2552 O O . CYS A 1 334 ? -0.896 -2.931 30.107 1.00 46.46 ? 675 CYS A O 1 ATOM 2553 C CB . CYS A 1 334 ? -1.469 -1.229 27.679 1.00 47.04 ? 675 CYS A CB 1 ATOM 2554 S SG . CYS A 1 334 ? -2.884 -0.622 26.693 1.00 47.30 ? 675 CYS A SG 1 ATOM 2555 N N . SER A 1 335 ? 0.546 -1.255 30.527 1.00 46.11 ? 676 SER A N 1 ATOM 2556 C CA . SER A 1 335 ? 1.436 -2.052 31.391 1.00 45.96 ? 676 SER A CA 1 ATOM 2557 C C . SER A 1 335 ? 2.437 -1.212 32.205 1.00 46.28 ? 676 SER A C 1 ATOM 2558 O O . SER A 1 335 ? 2.052 -0.379 33.038 1.00 46.21 ? 676 SER A O 1 ATOM 2559 C CB . SER A 1 335 ? 2.201 -3.118 30.585 1.00 45.76 ? 676 SER A CB 1 ATOM 2560 O OG . SER A 1 335 ? 2.252 -2.829 29.200 1.00 45.41 ? 676 SER A OG 1 ATOM 2561 N N . LEU A 1 340 ? 3.928 7.349 33.228 1.00 69.95 ? 681 LEU A N 1 ATOM 2562 C CA . LEU A 1 340 ? 3.875 8.694 32.685 1.00 69.49 ? 681 LEU A CA 1 ATOM 2563 C C . LEU A 1 340 ? 4.914 9.648 33.299 1.00 69.20 ? 681 LEU A C 1 ATOM 2564 O O . LEU A 1 340 ? 4.977 10.811 32.908 1.00 70.00 ? 681 LEU A O 1 ATOM 2565 C CB . LEU A 1 340 ? 2.450 9.270 32.832 1.00 70.12 ? 681 LEU A CB 1 ATOM 2566 C CG . LEU A 1 340 ? 1.851 9.576 34.217 1.00 70.62 ? 681 LEU A CG 1 ATOM 2567 C CD1 . LEU A 1 340 ? 1.739 11.093 34.394 1.00 70.55 ? 681 LEU A CD1 1 ATOM 2568 C CD2 . LEU A 1 340 ? 0.467 8.927 34.346 1.00 70.64 ? 681 LEU A CD2 1 ATOM 2569 N N . GLU A 1 341 ? 5.736 9.173 34.239 1.00 68.25 ? 682 GLU A N 1 ATOM 2570 C CA . GLU A 1 341 ? 6.767 10.036 34.836 1.00 66.94 ? 682 GLU A CA 1 ATOM 2571 C C . GLU A 1 341 ? 7.987 9.351 35.476 1.00 66.04 ? 682 GLU A C 1 ATOM 2572 O O . GLU A 1 341 ? 8.936 10.025 35.885 1.00 66.61 ? 682 GLU A O 1 ATOM 2573 C CB . GLU A 1 341 ? 6.136 10.977 35.891 1.00 67.08 ? 682 GLU A CB 1 ATOM 2574 C CG . GLU A 1 341 ? 5.259 10.340 37.009 1.00 66.73 ? 682 GLU A CG 1 ATOM 2575 C CD . GLU A 1 341 ? 4.503 11.377 37.866 1.00 67.28 ? 682 GLU A CD 1 ATOM 2576 O OE1 . GLU A 1 341 ? 3.468 11.915 37.408 1.00 66.88 ? 682 GLU A OE1 1 ATOM 2577 O OE2 . GLU A 1 341 ? 4.954 11.664 38.998 1.00 66.97 ? 682 GLU A OE2 1 ATOM 2578 N N . ALA A 1 342 ? 8.021 8.030 35.469 1.00 64.52 ? 683 ALA A N 1 ATOM 2579 C CA . ALA A 1 342 ? 9.086 7.291 36.129 1.00 62.80 ? 683 ALA A CA 1 ATOM 2580 C C . ALA A 1 342 ? 10.229 6.596 35.440 1.00 61.44 ? 683 ALA A C 1 ATOM 2581 O O . ALA A 1 342 ? 10.028 5.973 34.397 1.00 61.09 ? 683 ALA A O 1 ATOM 2582 C CB . ALA A 1 342 ? 8.399 6.247 37.069 1.00 63.00 ? 683 ALA A CB 1 ATOM 2583 N N . CYS A 1 343 ? 11.425 6.703 36.035 1.00 58.97 ? 684 CYS A N 1 ATOM 2584 C CA . CYS A 1 343 ? 12.597 5.988 35.515 1.00 56.66 ? 684 CYS A CA 1 ATOM 2585 C C . CYS A 1 343 ? 12.444 4.623 36.265 1.00 57.55 ? 684 CYS A C 1 ATOM 2586 O O . CYS A 1 343 ? 12.440 4.545 37.515 1.00 57.60 ? 684 CYS A O 1 ATOM 2587 C CB . CYS A 1 343 ? 13.927 6.669 35.909 1.00 51.61 ? 684 CYS A CB 1 ATOM 2588 S SG . CYS A 1 343 ? 15.408 5.601 35.708 1.00 46.07 ? 684 CYS A SG 1 ATOM 2589 N N . ALA A 1 344 ? 12.313 3.556 35.479 1.00 58.83 ? 685 ALA A N 1 ATOM 2590 C CA . ALA A 1 344 ? 12.115 2.207 35.988 1.00 60.26 ? 685 ALA A CA 1 ATOM 2591 C C . ALA A 1 344 ? 13.239 1.429 36.640 1.00 61.70 ? 685 ALA A C 1 ATOM 2592 O O . ALA A 1 344 ? 13.132 0.220 36.887 1.00 62.30 ? 685 ALA A O 1 ATOM 2593 C CB . ALA A 1 344 ? 11.278 1.403 34.974 1.00 59.96 ? 685 ALA A CB 1 ATOM 2594 N N . PHE A 1 345 ? 14.348 2.118 36.855 1.00 62.37 ? 686 PHE A N 1 ATOM 2595 C CA . PHE A 1 345 ? 15.517 1.488 37.462 1.00 62.72 ? 686 PHE A CA 1 ATOM 2596 C C . PHE A 1 345 ? 15.820 2.311 38.720 1.00 63.15 ? 686 PHE A C 1 ATOM 2597 O O . PHE A 1 345 ? 16.892 2.214 39.317 1.00 64.31 ? 686 PHE A O 1 ATOM 2598 C CB . PHE A 1 345 ? 16.733 1.498 36.526 1.00 62.64 ? 686 PHE A CB 1 ATOM 2599 C CG . PHE A 1 345 ? 16.453 0.913 35.171 1.00 62.29 ? 686 PHE A CG 1 ATOM 2600 C CD1 . PHE A 1 345 ? 16.113 -0.431 35.013 1.00 61.96 ? 686 PHE A CD1 1 ATOM 2601 C CD2 . PHE A 1 345 ? 16.568 1.709 34.038 1.00 61.98 ? 686 PHE A CD2 1 ATOM 2602 C CE1 . PHE A 1 345 ? 15.861 -0.956 33.739 1.00 61.58 ? 686 PHE A CE1 1 ATOM 2603 C CE2 . PHE A 1 345 ? 16.317 1.195 32.768 1.00 61.49 ? 686 PHE A CE2 1 ATOM 2604 C CZ . PHE A 1 345 ? 15.982 -0.143 32.618 1.00 61.20 ? 686 PHE A CZ 1 HETATM 2605 C C1 . NAG B 2 . ? 42.888 9.681 20.427 1.00 68.25 ? 687 NAG A C1 1 HETATM 2606 C C2 . NAG B 2 . ? 43.439 9.974 19.042 1.00 67.85 ? 687 NAG A C2 1 HETATM 2607 C C3 . NAG B 2 . ? 44.546 11.029 18.969 1.00 67.94 ? 687 NAG A C3 1 HETATM 2608 C C4 . NAG B 2 . ? 44.299 12.249 19.834 1.00 68.46 ? 687 NAG A C4 1 HETATM 2609 C C5 . NAG B 2 . ? 43.891 11.668 21.173 1.00 68.83 ? 687 NAG A C5 1 HETATM 2610 C C6 . NAG B 2 . ? 43.478 12.809 22.033 1.00 69.13 ? 687 NAG A C6 1 HETATM 2611 C C7 . NAG B 2 . ? 43.144 8.009 17.655 1.00 66.09 ? 687 NAG A C7 1 HETATM 2612 C C8 . NAG B 2 . ? 43.750 6.785 17.094 1.00 65.92 ? 687 NAG A C8 1 HETATM 2613 N N2 . NAG B 2 . ? 43.911 8.738 18.453 1.00 66.83 ? 687 NAG A N2 1 HETATM 2614 O O3 . NAG B 2 . ? 44.606 11.477 17.658 1.00 68.03 ? 687 NAG A O3 1 HETATM 2615 O O4 . NAG B 2 . ? 45.449 13.112 19.894 1.00 68.62 ? 687 NAG A O4 1 HETATM 2616 O O5 . NAG B 2 . ? 42.720 10.908 21.050 1.00 68.48 ? 687 NAG A O5 1 HETATM 2617 O O6 . NAG B 2 . ? 42.570 13.496 21.229 1.00 70.58 ? 687 NAG A O6 1 HETATM 2618 O O7 . NAG B 2 . ? 41.999 8.268 17.356 1.00 64.80 ? 687 NAG A O7 1 HETATM 2619 C C1 . NAG C 2 . ? -3.625 6.820 20.443 1.00 50.91 ? 689 NAG A C1 1 HETATM 2620 C C2 . NAG C 2 . ? -2.505 7.686 19.923 1.00 50.58 ? 689 NAG A C2 1 HETATM 2621 C C3 . NAG C 2 . ? -2.105 8.859 20.860 1.00 50.69 ? 689 NAG A C3 1 HETATM 2622 C C4 . NAG C 2 . ? -3.315 9.620 21.396 1.00 51.31 ? 689 NAG A C4 1 HETATM 2623 C C5 . NAG C 2 . ? -4.213 8.544 21.936 1.00 51.62 ? 689 NAG A C5 1 HETATM 2624 C C6 . NAG C 2 . ? -5.513 9.179 22.326 1.00 52.33 ? 689 NAG A C6 1 HETATM 2625 C C7 . NAG C 2 . ? -1.100 6.575 18.288 1.00 48.95 ? 689 NAG A C7 1 HETATM 2626 C C8 . NAG C 2 . ? -0.018 5.611 18.030 1.00 48.54 ? 689 NAG A C8 1 HETATM 2627 N N2 . NAG C 2 . ? -1.469 6.750 19.540 1.00 49.86 ? 689 NAG A N2 1 HETATM 2628 O O3 . NAG C 2 . ? -1.310 9.813 20.207 1.00 50.17 ? 689 NAG A O3 1 HETATM 2629 O O4 . NAG C 2 . ? -3.037 10.608 22.391 1.00 51.54 ? 689 NAG A O4 1 HETATM 2630 O O5 . NAG C 2 . ? -4.592 7.692 20.910 1.00 51.23 ? 689 NAG A O5 1 HETATM 2631 O O6 . NAG C 2 . ? -6.116 9.602 21.144 1.00 52.02 ? 689 NAG A O6 1 HETATM 2632 O O7 . NAG C 2 . ? -1.579 7.173 17.354 1.00 48.92 ? 689 NAG A O7 1 HETATM 2633 C C1 . NAG D 2 . ? -3.650 11.858 22.147 1.00 57.04 ? 690 NAG A C1 1 HETATM 2634 C C2 . NAG D 2 . ? -3.463 12.598 23.446 1.00 56.76 ? 690 NAG A C2 1 HETATM 2635 C C3 . NAG D 2 . ? -3.628 14.085 23.360 1.00 57.00 ? 690 NAG A C3 1 HETATM 2636 C C4 . NAG D 2 . ? -3.015 14.632 22.109 1.00 57.05 ? 690 NAG A C4 1 HETATM 2637 C C5 . NAG D 2 . ? -3.458 13.784 20.941 1.00 57.00 ? 690 NAG A C5 1 HETATM 2638 C C6 . NAG D 2 . ? -2.863 14.260 19.643 1.00 57.05 ? 690 NAG A C6 1 HETATM 2639 C C7 . NAG D 2 . ? -3.932 11.645 25.559 1.00 57.39 ? 690 NAG A C7 1 HETATM 2640 C C8 . NAG D 2 . ? -4.762 10.843 26.486 1.00 56.91 ? 690 NAG A C8 1 HETATM 2641 N N2 . NAG D 2 . ? -4.402 12.089 24.408 1.00 57.26 ? 690 NAG A N2 1 HETATM 2642 O O3 . NAG D 2 . ? -2.954 14.633 24.439 1.00 57.89 ? 690 NAG A O3 1 HETATM 2643 O O4 . NAG D 2 . ? -3.429 15.957 21.934 1.00 57.35 ? 690 NAG A O4 1 HETATM 2644 O O5 . NAG D 2 . ? -2.989 12.503 21.122 1.00 57.12 ? 690 NAG A O5 1 HETATM 2645 O O6 . NAG D 2 . ? -1.938 13.300 19.237 1.00 56.80 ? 690 NAG A O6 1 HETATM 2646 O O7 . NAG D 2 . ? -2.801 11.864 25.877 1.00 57.71 ? 690 NAG A O7 1 HETATM 2647 C C1 . NAG E 2 . ? 13.384 4.469 1.070 1.00 53.89 ? 692 NAG A C1 1 HETATM 2648 C C2 . NAG E 2 . ? 13.567 5.898 0.607 1.00 53.65 ? 692 NAG A C2 1 HETATM 2649 C C3 . NAG E 2 . ? 14.464 5.999 -0.587 1.00 53.93 ? 692 NAG A C3 1 HETATM 2650 C C4 . NAG E 2 . ? 15.801 5.397 -0.292 1.00 54.09 ? 692 NAG A C4 1 HETATM 2651 C C5 . NAG E 2 . ? 15.631 4.034 0.414 1.00 54.30 ? 692 NAG A C5 1 HETATM 2652 C C6 . NAG E 2 . ? 16.864 3.686 1.213 1.00 54.24 ? 692 NAG A C6 1 HETATM 2653 C C7 . NAG E 2 . ? 11.639 7.149 1.218 1.00 51.87 ? 692 NAG A C7 1 HETATM 2654 C C8 . NAG E 2 . ? 10.167 7.177 1.151 1.00 51.84 ? 692 NAG A C8 1 HETATM 2655 N N2 . NAG E 2 . ? 12.298 6.488 0.298 1.00 52.40 ? 692 NAG A N2 1 HETATM 2656 O O3 . NAG E 2 . ? 14.694 7.339 -0.783 1.00 55.18 ? 692 NAG A O3 1 HETATM 2657 O O4 . NAG E 2 . ? 16.491 5.339 -1.517 1.00 54.77 ? 692 NAG A O4 1 HETATM 2658 O O5 . NAG E 2 . ? 14.627 3.958 1.396 1.00 53.71 ? 692 NAG A O5 1 HETATM 2659 O O6 . NAG E 2 . ? 17.533 4.588 2.069 1.00 53.70 ? 692 NAG A O6 1 HETATM 2660 O O7 . NAG E 2 . ? 12.157 7.742 2.115 1.00 51.66 ? 692 NAG A O7 1 HETATM 2661 C C1 . NAG F 2 . ? 17.866 5.797 -1.559 1.00 68.25 ? 693 NAG A C1 1 HETATM 2662 C C2 . NAG F 2 . ? 18.432 5.347 -2.878 1.00 68.24 ? 693 NAG A C2 1 HETATM 2663 C C3 . NAG F 2 . ? 19.585 6.222 -3.333 1.00 68.59 ? 693 NAG A C3 1 HETATM 2664 C C4 . NAG F 2 . ? 19.140 7.677 -3.252 1.00 68.98 ? 693 NAG A C4 1 HETATM 2665 C C5 . NAG F 2 . ? 18.526 7.953 -1.876 1.00 68.65 ? 693 NAG A C5 1 HETATM 2666 C C6 . NAG F 2 . ? 17.878 9.297 -1.744 1.00 69.02 ? 693 NAG A C6 1 HETATM 2667 C C7 . NAG F 2 . ? 17.859 3.091 -3.233 1.00 67.18 ? 693 NAG A C7 1 HETATM 2668 C C8 . NAG F 2 . ? 18.054 1.644 -3.026 1.00 67.15 ? 693 NAG A C8 1 HETATM 2669 N N2 . NAG F 2 . ? 18.736 3.939 -2.751 1.00 67.86 ? 693 NAG A N2 1 HETATM 2670 O O3 . NAG F 2 . ? 19.936 5.916 -4.652 1.00 68.79 ? 693 NAG A O3 1 HETATM 2671 O O4 . NAG F 2 . ? 20.230 8.532 -3.557 1.00 68.74 ? 693 NAG A O4 1 HETATM 2672 O O5 . NAG F 2 . ? 17.466 7.100 -1.638 1.00 68.04 ? 693 NAG A O5 1 HETATM 2673 O O6 . NAG F 2 . ? 16.796 9.541 -0.892 1.00 69.21 ? 693 NAG A O6 1 HETATM 2674 O O7 . NAG F 2 . ? 16.902 3.462 -3.867 1.00 66.95 ? 693 NAG A O7 1 HETATM 2675 FE FE . FE G 3 . ? 14.430 2.491 14.999 1.00 22.54 ? 694 FE A FE 1 HETATM 2676 ZN ZN . ZN H 4 . ? 14.720 23.235 24.089 1.00 40.73 ? 695 ZN A ZN 1 HETATM 2677 ZN ZN . ZN I 4 . ? 3.070 10.673 7.368 1.00 37.61 ? 696 ZN A ZN 1 HETATM 2678 C C . CO3 J 5 . ? 13.061 0.401 15.347 1.00 17.96 ? 697 CO3 A C 1 HETATM 2679 O O1 . CO3 J 5 . ? 14.333 0.214 15.527 1.00 17.87 ? 697 CO3 A O1 1 HETATM 2680 O O2 . CO3 J 5 . ? 12.595 1.610 15.206 1.00 20.68 ? 697 CO3 A O2 1 HETATM 2681 O O3 . CO3 J 5 . ? 12.254 -0.607 15.281 1.00 16.93 ? 697 CO3 A O3 1 HETATM 2682 S S . SO4 K 6 . ? -1.577 -6.075 -4.769 1.00 50.55 ? 698 SO4 A S 1 HETATM 2683 O O1 . SO4 K 6 . ? -1.523 -4.749 -4.115 1.00 50.04 ? 698 SO4 A O1 1 HETATM 2684 O O2 . SO4 K 6 . ? -2.788 -6.122 -5.609 1.00 51.34 ? 698 SO4 A O2 1 HETATM 2685 O O3 . SO4 K 6 . ? -0.372 -6.275 -5.601 1.00 49.53 ? 698 SO4 A O3 1 HETATM 2686 O O4 . SO4 K 6 . ? -1.663 -7.156 -3.768 1.00 49.36 ? 698 SO4 A O4 1 HETATM 2687 C "C1'" . 3HB L 7 . ? 11.068 14.140 12.612 0.70 46.99 ? 688 3HB A "C1'" 1 HETATM 2688 O "O1'" . 3HB L 7 . ? 10.064 14.247 13.142 0.70 47.46 ? 688 3HB A "O1'" 1 HETATM 2689 O "O2'" . 3HB L 7 . ? 11.080 14.561 11.426 0.70 47.50 ? 688 3HB A "O2'" 1 HETATM 2690 C C1 . 3HB L 7 . ? 12.413 13.971 13.195 0.70 47.32 ? 688 3HB A C1 1 HETATM 2691 C C2 . 3HB L 7 . ? 12.704 14.477 14.484 0.70 47.88 ? 688 3HB A C2 1 HETATM 2692 C C3 . 3HB L 7 . ? 13.987 14.242 15.056 0.70 47.75 ? 688 3HB A C3 1 HETATM 2693 C C4 . 3HB L 7 . ? 14.953 13.514 14.351 0.70 47.70 ? 688 3HB A C4 1 HETATM 2694 C C5 . 3HB L 7 . ? 14.584 13.019 13.077 0.70 47.24 ? 688 3HB A C5 1 HETATM 2695 C C6 . 3HB L 7 . ? 13.368 13.193 12.547 0.70 47.07 ? 688 3HB A C6 1 HETATM 2696 O O3 . 3HB L 7 . ? 14.209 14.630 16.351 0.70 48.37 ? 688 3HB A O3 1 HETATM 2697 O O . HOH M 8 . ? 11.331 -10.520 14.318 1.00 5.50 ? 1 HOH A O 1 HETATM 2698 O O . HOH M 8 . ? 6.417 -0.386 11.546 1.00 22.76 ? 2 HOH A O 1 HETATM 2699 O O . HOH M 8 . ? 22.631 -6.639 19.344 1.00 18.84 ? 3 HOH A O 1 HETATM 2700 O O . HOH M 8 . ? 19.588 -12.933 10.577 1.00 38.33 ? 4 HOH A O 1 HETATM 2701 O O . HOH M 8 . ? 22.431 0.280 20.795 1.00 12.08 ? 5 HOH A O 1 HETATM 2702 O O . HOH M 8 . ? 13.621 5.843 16.511 1.00 25.16 ? 6 HOH A O 1 HETATM 2703 O O . HOH M 8 . ? 25.486 -8.573 19.247 1.00 36.46 ? 7 HOH A O 1 HETATM 2704 O O . HOH M 8 . ? -0.134 -10.028 19.550 1.00 22.55 ? 8 HOH A O 1 HETATM 2705 O O . HOH M 8 . ? 25.743 1.984 19.715 1.00 19.25 ? 9 HOH A O 1 HETATM 2706 O O . HOH M 8 . ? 21.073 2.564 15.117 1.00 42.73 ? 10 HOH A O 1 HETATM 2707 O O . HOH M 8 . ? 23.897 -7.672 30.408 1.00 35.60 ? 11 HOH A O 1 HETATM 2708 O O . HOH M 8 . ? -5.623 -2.513 -2.148 1.00 39.84 ? 12 HOH A O 1 HETATM 2709 O O . HOH M 8 . ? -1.559 -15.731 -3.778 1.00 34.91 ? 13 HOH A O 1 HETATM 2710 O O . HOH M 8 . ? 20.418 -10.693 13.653 1.00 49.41 ? 14 HOH A O 1 HETATM 2711 O O . HOH M 8 . ? 5.375 -12.385 -2.873 1.00 22.32 ? 15 HOH A O 1 HETATM 2712 O O . HOH M 8 . ? -3.711 -1.752 4.392 1.00 23.60 ? 16 HOH A O 1 HETATM 2713 O O . HOH M 8 . ? 12.466 -1.319 28.698 1.00 44.02 ? 17 HOH A O 1 HETATM 2714 O O . HOH M 8 . ? 23.039 -0.757 17.895 1.00 15.08 ? 18 HOH A O 1 HETATM 2715 O O . HOH M 8 . ? 5.815 -10.631 26.917 1.00 38.95 ? 19 HOH A O 1 HETATM 2716 O O . HOH M 8 . ? 18.089 6.353 12.623 1.00 33.62 ? 20 HOH A O 1 HETATM 2717 O O . HOH M 8 . ? 22.497 -0.576 15.267 1.00 16.09 ? 21 HOH A O 1 HETATM 2718 O O . HOH M 8 . ? 20.271 6.114 9.902 1.00 27.10 ? 22 HOH A O 1 HETATM 2719 O O . HOH M 8 . ? -4.270 -13.491 3.016 1.00 44.03 ? 23 HOH A O 1 HETATM 2720 O O . HOH M 8 . ? 1.038 -16.337 25.102 1.00 27.82 ? 24 HOH A O 1 HETATM 2721 O O . HOH M 8 . ? 28.812 17.699 29.318 1.00 24.06 ? 25 HOH A O 1 HETATM 2722 O O . HOH M 8 . ? 16.868 3.641 11.982 1.00 19.74 ? 26 HOH A O 1 HETATM 2723 O O . HOH M 8 . ? 19.432 20.062 26.687 1.00 46.67 ? 27 HOH A O 1 HETATM 2724 O O . HOH M 8 . ? 21.395 -4.812 14.913 1.00 21.95 ? 28 HOH A O 1 HETATM 2725 O O . HOH M 8 . ? 20.401 -3.163 18.671 1.00 27.48 ? 29 HOH A O 1 HETATM 2726 O O . HOH M 8 . ? 1.537 -12.589 18.665 1.00 17.88 ? 30 HOH A O 1 HETATM 2727 O O . HOH M 8 . ? 24.631 18.047 19.699 1.00 39.81 ? 31 HOH A O 1 HETATM 2728 O O . HOH M 8 . ? 21.189 17.555 23.353 1.00 33.45 ? 32 HOH A O 1 HETATM 2729 O O . HOH M 8 . ? 3.096 1.077 5.379 1.00 18.24 ? 33 HOH A O 1 HETATM 2730 O O . HOH M 8 . ? 33.345 15.029 12.094 1.00 32.49 ? 34 HOH A O 1 HETATM 2731 O O . HOH M 8 . ? 28.342 7.520 32.205 1.00 13.43 ? 35 HOH A O 1 HETATM 2732 O O . HOH M 8 . ? -1.812 -17.097 10.656 1.00 35.85 ? 36 HOH A O 1 HETATM 2733 O O . HOH M 8 . ? -8.210 3.561 10.129 1.00 50.28 ? 37 HOH A O 1 HETATM 2734 O O . HOH M 8 . ? 5.509 -20.558 2.296 1.00 36.75 ? 38 HOH A O 1 HETATM 2735 O O . HOH M 8 . ? 38.883 12.216 20.129 1.00 46.62 ? 39 HOH A O 1 HETATM 2736 O O . HOH M 8 . ? 31.145 19.896 20.783 1.00 38.83 ? 40 HOH A O 1 HETATM 2737 O O . HOH M 8 . ? 12.385 17.128 16.758 1.00 56.83 ? 41 HOH A O 1 HETATM 2738 O O . HOH M 8 . ? 15.061 -21.191 11.944 1.00 38.59 ? 42 HOH A O 1 HETATM 2739 O O . HOH M 8 . ? 6.634 0.815 24.696 1.00 24.34 ? 43 HOH A O 1 HETATM 2740 O O . HOH M 8 . ? 1.910 5.969 31.612 1.00 58.95 ? 44 HOH A O 1 HETATM 2741 O O . HOH M 8 . ? -7.486 -7.033 11.774 1.00 30.22 ? 45 HOH A O 1 HETATM 2742 O O . HOH M 8 . ? -6.831 -3.327 13.500 1.00 35.44 ? 46 HOH A O 1 HETATM 2743 O O . HOH M 8 . ? 15.811 -15.750 -1.240 1.00 42.41 ? 47 HOH A O 1 HETATM 2744 O O . HOH M 8 . ? 15.907 -5.528 -12.095 1.00 59.27 ? 48 HOH A O 1 HETATM 2745 O O . HOH M 8 . ? 19.133 -3.305 7.205 1.00 28.08 ? 49 HOH A O 1 HETATM 2746 O O . HOH M 8 . ? 15.501 -21.907 21.936 1.00 44.93 ? 50 HOH A O 1 HETATM 2747 O O . HOH M 8 . ? 23.320 -12.722 25.098 1.00 42.27 ? 51 HOH A O 1 HETATM 2748 O O . HOH M 8 . ? 21.846 21.038 26.373 1.00 45.51 ? 52 HOH A O 1 HETATM 2749 O O . HOH M 8 . ? 10.363 -8.290 29.503 1.00 39.68 ? 53 HOH A O 1 HETATM 2750 O O . HOH M 8 . ? 16.079 -3.781 26.375 1.00 19.86 ? 54 HOH A O 1 HETATM 2751 O O . HOH M 8 . ? 33.764 -10.631 20.144 1.00 50.35 ? 55 HOH A O 1 HETATM 2752 O O . HOH M 8 . ? 25.218 -18.280 24.366 1.00 40.21 ? 56 HOH A O 1 HETATM 2753 O O . HOH M 8 . ? 9.722 -14.231 -1.840 1.00 51.34 ? 57 HOH A O 1 HETATM 2754 O O . HOH M 8 . ? 2.854 -16.053 1.268 1.00 38.54 ? 58 HOH A O 1 HETATM 2755 O O . HOH M 8 . ? 18.125 -2.907 14.211 1.00 35.54 ? 59 HOH A O 1 HETATM 2756 O O . HOH M 8 . ? -1.584 -20.254 10.168 1.00 48.09 ? 60 HOH A O 1 HETATM 2757 O O . HOH M 8 . ? 10.399 13.889 32.233 1.00 49.06 ? 61 HOH A O 1 HETATM 2758 O O . HOH M 8 . ? 4.768 -1.571 25.047 1.00 38.42 ? 62 HOH A O 1 HETATM 2759 O O . HOH M 8 . ? -2.903 1.185 -4.874 1.00 44.71 ? 63 HOH A O 1 HETATM 2760 O O . HOH M 8 . ? -8.473 1.332 7.160 1.00 38.08 ? 64 HOH A O 1 HETATM 2761 O O . HOH M 8 . ? 48.626 3.737 5.837 1.00 44.21 ? 65 HOH A O 1 HETATM 2762 O O . HOH M 8 . ? -8.983 -15.045 7.248 1.00 41.22 ? 66 HOH A O 1 HETATM 2763 O O . HOH M 8 . ? -4.358 -4.903 -3.160 1.00 33.53 ? 67 HOH A O 1 HETATM 2764 O O . HOH M 8 . ? 28.863 24.111 18.382 1.00 32.05 ? 68 HOH A O 1 HETATM 2765 O O . HOH M 8 . ? 2.775 -18.688 7.230 1.00 45.58 ? 69 HOH A O 1 HETATM 2766 O O . HOH M 8 . ? 46.435 1.174 17.032 1.00 42.82 ? 70 HOH A O 1 HETATM 2767 O O . HOH M 8 . ? -10.822 -6.904 6.374 1.00 37.97 ? 71 HOH A O 1 HETATM 2768 O O . HOH M 8 . ? 24.832 -14.736 7.464 1.00 63.06 ? 73 HOH A O 1 HETATM 2769 O O . HOH M 8 . ? 35.824 18.190 17.795 1.00 52.27 ? 75 HOH A O 1 HETATM 2770 O O . HOH M 8 . ? 11.644 -6.730 27.930 1.00 41.31 ? 76 HOH A O 1 HETATM 2771 O O . HOH M 8 . ? -6.663 -6.257 -1.276 1.00 33.89 ? 77 HOH A O 1 HETATM 2772 O O . HOH M 8 . ? 40.154 16.522 22.930 1.00 43.57 ? 78 HOH A O 1 HETATM 2773 O O . HOH M 8 . ? 37.624 -7.868 17.888 1.00 41.93 ? 80 HOH A O 1 HETATM 2774 O O . HOH M 8 . ? 38.654 19.640 18.686 1.00 58.58 ? 81 HOH A O 1 HETATM 2775 O O . HOH M 8 . ? -9.162 -12.744 4.992 1.00 54.63 ? 82 HOH A O 1 HETATM 2776 O O . HOH M 8 . ? -6.041 -18.044 14.146 1.00 59.06 ? 83 HOH A O 1 HETATM 2777 O O . HOH M 8 . ? -8.873 -3.219 3.715 1.00 40.53 ? 84 HOH A O 1 HETATM 2778 O O . HOH M 8 . ? 14.461 13.231 33.462 1.00 55.06 ? 85 HOH A O 1 HETATM 2779 O O . HOH M 8 . ? 36.573 18.721 31.484 1.00 34.90 ? 87 HOH A O 1 HETATM 2780 O O . HOH M 8 . ? -8.425 -11.126 10.115 1.00 36.96 ? 88 HOH A O 1 HETATM 2781 O O . HOH M 8 . ? 14.797 -5.258 30.342 1.00 28.89 ? 89 HOH A O 1 HETATM 2782 O O . HOH M 8 . ? 4.778 21.296 22.633 1.00 44.08 ? 90 HOH A O 1 HETATM 2783 O O . HOH M 8 . ? -11.031 2.185 26.768 1.00 50.02 ? 91 HOH A O 1 HETATM 2784 O O . HOH M 8 . ? 26.437 -15.302 2.086 1.00 46.57 ? 92 HOH A O 1 HETATM 2785 O O . HOH M 8 . ? 6.324 -7.260 26.665 1.00 50.02 ? 93 HOH A O 1 HETATM 2786 O O . HOH M 8 . ? 27.243 -14.661 9.878 1.00 37.48 ? 94 HOH A O 1 HETATM 2787 O O . HOH M 8 . ? -0.129 2.480 -5.897 1.00 44.28 ? 95 HOH A O 1 HETATM 2788 O O . HOH M 8 . ? 11.101 3.274 30.030 1.00 41.44 ? 97 HOH A O 1 HETATM 2789 O O . HOH M 8 . ? 19.418 -21.921 1.535 1.00 47.16 ? 98 HOH A O 1 HETATM 2790 O O . HOH M 8 . ? 46.268 15.447 22.019 1.00 51.76 ? 99 HOH A O 1 HETATM 2791 O O . HOH M 8 . ? 11.679 16.810 30.981 1.00 50.87 ? 100 HOH A O 1 HETATM 2792 O O . HOH M 8 . ? 13.685 -4.277 -10.311 1.00 55.87 ? 101 HOH A O 1 HETATM 2793 O O . HOH M 8 . ? 8.726 -21.115 14.866 1.00 54.86 ? 102 HOH A O 1 HETATM 2794 O O . HOH M 8 . ? 39.280 -4.277 10.519 1.00 52.08 ? 104 HOH A O 1 HETATM 2795 O O . HOH M 8 . ? 34.979 15.244 9.108 1.00 41.40 ? 105 HOH A O 1 HETATM 2796 O O . HOH M 8 . ? -9.946 -3.396 14.734 1.00 50.39 ? 106 HOH A O 1 HETATM 2797 O O . HOH M 8 . ? -3.243 -1.198 -6.928 1.00 43.88 ? 107 HOH A O 1 HETATM 2798 O O . HOH M 8 . ? 22.962 3.648 -5.147 1.00 50.19 ? 108 HOH A O 1 HETATM 2799 O O . HOH M 8 . ? -11.157 0.242 4.038 1.00 44.99 ? 109 HOH A O 1 HETATM 2800 O O . HOH M 8 . ? 35.965 -10.729 21.620 1.00 57.94 ? 110 HOH A O 1 HETATM 2801 O O . HOH M 8 . ? 22.795 0.453 -6.137 1.00 63.60 ? 111 HOH A O 1 HETATM 2802 O O . HOH M 8 . ? 12.772 -0.546 -7.243 1.00 53.24 ? 112 HOH A O 1 HETATM 2803 O O . HOH M 8 . ? 22.961 19.079 21.973 1.00 40.80 ? 113 HOH A O 1 HETATM 2804 O O . HOH M 8 . ? 27.677 21.432 22.613 1.00 56.42 ? 114 HOH A O 1 HETATM 2805 O O . HOH M 8 . ? 21.728 -18.604 10.304 1.00 66.70 ? 115 HOH A O 1 HETATM 2806 O O . HOH M 8 . ? 24.594 -20.037 10.450 1.00 28.87 ? 116 HOH A O 1 HETATM 2807 O O . HOH M 8 . ? 20.306 -3.140 -7.907 1.00 48.02 ? 117 HOH A O 1 HETATM 2808 O O . HOH M 8 . ? -7.285 -13.669 27.757 1.00 53.36 ? 118 HOH A O 1 HETATM 2809 O O . HOH M 8 . ? -11.153 -0.198 9.195 1.00 48.72 ? 119 HOH A O 1 HETATM 2810 O O . HOH M 8 . ? 16.853 -21.598 3.755 1.00 40.37 ? 120 HOH A O 1 HETATM 2811 O O . HOH M 8 . ? 9.078 -10.296 -11.764 1.00 29.81 ? 121 HOH A O 1 HETATM 2812 O O . HOH M 8 . ? 19.917 -0.847 17.163 1.00 32.33 ? 122 HOH A O 1 HETATM 2813 O O . HOH M 8 . ? -0.342 4.820 21.891 1.00 38.69 ? 123 HOH A O 1 HETATM 2814 O O . HOH M 8 . ? 1.522 8.206 16.445 1.00 64.33 ? 124 HOH A O 1 HETATM 2815 O O . HOH M 8 . ? 10.256 -2.334 -7.286 1.00 50.47 ? 125 HOH A O 1 HETATM 2816 O O . HOH M 8 . ? -4.001 -2.647 31.302 1.00 42.11 ? 126 HOH A O 1 HETATM 2817 O O . HOH M 8 . ? 2.971 15.305 37.808 1.00 62.60 ? 127 HOH A O 1 HETATM 2818 O O . HOH M 8 . ? 26.226 18.007 25.136 1.00 58.48 ? 128 HOH A O 1 HETATM 2819 O O . HOH M 8 . ? 9.523 -17.071 -3.443 1.00 52.38 ? 129 HOH A O 1 HETATM 2820 O O . HOH M 8 . ? -8.813 -13.918 18.326 1.00 60.58 ? 130 HOH A O 1 HETATM 2821 O O . HOH M 8 . ? -4.563 17.582 24.023 1.00 47.54 ? 131 HOH A O 1 HETATM 2822 O O . HOH M 8 . ? 6.734 18.053 29.984 1.00 42.78 ? 132 HOH A O 1 HETATM 2823 O O . HOH M 8 . ? 32.763 20.553 8.105 1.00 46.55 ? 133 HOH A O 1 HETATM 2824 O O . HOH M 8 . ? 5.843 -23.019 11.636 1.00 39.83 ? 134 HOH A O 1 HETATM 2825 O O . HOH M 8 . ? 21.178 -13.056 13.273 1.00 52.18 ? 135 HOH A O 1 HETATM 2826 O O . HOH M 8 . ? 29.288 -15.600 1.951 1.00 40.69 ? 136 HOH A O 1 HETATM 2827 O O . HOH M 8 . ? 48.926 0.858 19.261 1.00 56.79 ? 137 HOH A O 1 HETATM 2828 O O . HOH M 8 . ? 14.343 -20.116 4.513 1.00 60.98 ? 138 HOH A O 1 HETATM 2829 O O . HOH M 8 . ? 4.823 -23.379 14.520 1.00 63.84 ? 139 HOH A O 1 HETATM 2830 O O . HOH M 8 . ? 0.009 10.376 16.476 1.00 51.63 ? 140 HOH A O 1 HETATM 2831 O O . HOH M 8 . ? 22.872 -3.137 1.963 1.00 42.72 ? 141 HOH A O 1 HETATM 2832 O O . HOH M 8 . ? 7.782 -21.995 19.967 1.00 41.59 ? 142 HOH A O 1 HETATM 2833 O O . HOH M 8 . ? 25.813 -16.424 13.170 1.00 59.31 ? 143 HOH A O 1 HETATM 2834 O O . HOH M 8 . ? 12.349 11.225 1.577 1.00 57.69 ? 144 HOH A O 1 HETATM 2835 O O . HOH M 8 . ? -10.534 -6.669 14.082 1.00 55.24 ? 146 HOH A O 1 HETATM 2836 O O . HOH M 8 . ? 5.255 19.857 27.973 1.00 57.79 ? 147 HOH A O 1 HETATM 2837 O O . HOH M 8 . ? 12.452 2.155 39.753 1.00 43.56 ? 148 HOH A O 1 HETATM 2838 O O . HOH M 8 . ? 26.568 -0.638 -0.223 1.00 56.69 ? 149 HOH A O 1 HETATM 2839 O O . HOH M 8 . ? 33.366 -6.576 6.412 1.00 54.21 ? 150 HOH A O 1 HETATM 2840 O O . HOH M 8 . ? -4.491 4.811 25.832 1.00 66.48 ? 151 HOH A O 1 HETATM 2841 O O . HOH M 8 . ? 27.299 -9.505 27.260 1.00 55.94 ? 152 HOH A O 1 HETATM 2842 O O . HOH M 8 . ? 33.233 -2.074 10.499 1.00 36.86 ? 153 HOH A O 1 HETATM 2843 O O . HOH M 8 . ? -11.525 -4.663 11.855 1.00 64.05 ? 154 HOH A O 1 HETATM 2844 O O . HOH M 8 . ? 17.927 19.782 4.040 1.00 60.35 ? 155 HOH A O 1 HETATM 2845 O O . HOH M 8 . ? 40.182 18.974 21.644 1.00 64.21 ? 156 HOH A O 1 HETATM 2846 O O . HOH M 8 . ? -6.305 -11.174 4.826 1.00 55.03 ? 157 HOH A O 1 HETATM 2847 O O . HOH M 8 . ? 12.344 20.339 18.620 1.00 55.58 ? 158 HOH A O 1 HETATM 2848 O O . HOH M 8 . ? 26.596 -2.461 4.392 1.00 41.72 ? 159 HOH A O 1 HETATM 2849 O O . HOH M 8 . ? -10.770 12.525 20.096 1.00 49.72 ? 160 HOH A O 1 HETATM 2850 O O . HOH M 8 . ? 28.818 13.225 1.469 1.00 44.22 ? 162 HOH A O 1 HETATM 2851 O O . HOH M 8 . ? -7.723 1.609 26.613 1.00 50.77 ? 163 HOH A O 1 HETATM 2852 O O . HOH M 8 . ? 33.038 22.904 16.901 1.00 65.12 ? 164 HOH A O 1 HETATM 2853 O O . HOH M 8 . ? 4.524 -21.663 7.424 1.00 37.73 ? 165 HOH A O 1 HETATM 2854 O O . HOH M 8 . ? 2.536 -23.521 12.490 1.00 54.70 ? 166 HOH A O 1 HETATM 2855 O O . HOH M 8 . ? -4.199 -10.311 27.222 1.00 59.74 ? 167 HOH A O 1 HETATM 2856 O O . HOH M 8 . ? 31.928 25.281 15.350 1.00 57.60 ? 168 HOH A O 1 HETATM 2857 O O . HOH M 8 . ? 19.700 -20.841 8.727 1.00 40.22 ? 169 HOH A O 1 HETATM 2858 O O . HOH M 8 . ? 36.697 -1.788 6.337 1.00 30.71 ? 170 HOH A O 1 HETATM 2859 O O . HOH M 8 . ? 15.275 -18.458 0.233 1.00 47.44 ? 171 HOH A O 1 HETATM 2860 O O . HOH M 8 . ? 29.822 26.144 20.762 1.00 51.19 ? 172 HOH A O 1 HETATM 2861 O O . HOH M 8 . ? 5.148 5.953 34.992 1.00 34.85 ? 173 HOH A O 1 HETATM 2862 O O . HOH M 8 . ? 30.123 21.435 2.995 1.00 52.01 ? 174 HOH A O 1 HETATM 2863 O O . HOH M 8 . ? 8.095 -22.504 3.368 1.00 37.45 ? 175 HOH A O 1 HETATM 2864 O O . HOH M 8 . ? 23.519 3.735 -2.290 1.00 61.55 ? 176 HOH A O 1 HETATM 2865 O O . HOH M 8 . ? 22.853 14.286 -1.590 1.00 43.83 ? 177 HOH A O 1 HETATM 2866 O O . HOH M 8 . ? -12.347 -4.740 22.532 1.00 65.20 ? 178 HOH A O 1 HETATM 2867 O O . HOH M 8 . ? -8.728 -1.636 -2.736 1.00 43.81 ? 179 HOH A O 1 HETATM 2868 O O . HOH M 8 . ? 15.398 -23.657 11.071 1.00 59.96 ? 180 HOH A O 1 HETATM 2869 O O . HOH M 8 . ? 22.412 0.945 3.723 1.00 39.73 ? 181 HOH A O 1 HETATM 2870 O O . HOH M 8 . ? 25.160 16.225 2.621 1.00 57.97 ? 182 HOH A O 1 HETATM 2871 O O . HOH M 8 . ? 9.118 25.040 22.577 1.00 59.69 ? 183 HOH A O 1 HETATM 2872 O O . HOH M 8 . ? 23.522 -13.970 14.687 1.00 36.94 ? 184 HOH A O 1 HETATM 2873 O O . HOH M 8 . ? -13.221 -5.437 4.696 1.00 49.91 ? 185 HOH A O 1 HETATM 2874 O O . HOH M 8 . ? -5.979 5.049 14.007 1.00 30.30 ? 186 HOH A O 1 HETATM 2875 O O . HOH M 8 . ? 9.705 -11.499 -9.233 1.00 37.82 ? 187 HOH A O 1 HETATM 2876 O O . HOH M 8 . ? 23.586 1.248 -3.194 1.00 46.19 ? 188 HOH A O 1 HETATM 2877 O O . HOH M 8 . ? 9.558 -0.582 28.875 1.00 50.23 ? 189 HOH A O 1 HETATM 2878 O O . HOH M 8 . ? -3.717 -7.721 28.728 1.00 29.72 ? 190 HOH A O 1 HETATM 2879 O O . HOH M 8 . ? 26.871 -8.432 3.117 1.00 52.14 ? 191 HOH A O 1 HETATM 2880 O O . HOH M 8 . ? 37.575 21.492 24.191 1.00 45.83 ? 192 HOH A O 1 HETATM 2881 O O . HOH M 8 . ? 21.709 -9.019 5.101 1.00 49.84 ? 193 HOH A O 1 HETATM 2882 O O . HOH M 8 . ? 35.624 17.985 26.921 1.00 62.14 ? 194 HOH A O 1 HETATM 2883 O O . HOH M 8 . ? 5.395 -16.763 -0.187 1.00 46.41 ? 195 HOH A O 1 HETATM 2884 O O . HOH M 8 . ? 6.984 23.125 20.784 1.00 46.37 ? 196 HOH A O 1 HETATM 2885 O O . HOH M 8 . ? -8.611 10.222 19.074 1.00 50.14 ? 197 HOH A O 1 HETATM 2886 O O . HOH M 8 . ? 17.000 -5.657 -9.476 1.00 48.23 ? 198 HOH A O 1 HETATM 2887 O O . HOH M 8 . ? 38.868 -9.340 14.190 1.00 33.87 ? 199 HOH A O 1 HETATM 2888 O O . HOH M 8 . ? 12.627 8.139 4.707 1.00 48.24 ? 200 HOH A O 1 HETATM 2889 O O . HOH M 8 . ? 40.472 -2.886 22.834 1.00 54.15 ? 201 HOH A O 1 HETATM 2890 O O . HOH M 8 . ? -0.646 -17.827 7.029 1.00 59.93 ? 202 HOH A O 1 HETATM 2891 O O . HOH M 8 . ? 5.720 -22.161 16.683 1.00 32.23 ? 203 HOH A O 1 HETATM 2892 O O . HOH M 8 . ? 3.412 -24.511 10.108 1.00 57.62 ? 204 HOH A O 1 HETATM 2893 O O . HOH M 8 . ? 10.980 -21.772 1.595 1.00 39.88 ? 206 HOH A O 1 HETATM 2894 O O . HOH M 8 . ? -13.528 -1.151 24.270 1.00 42.80 ? 207 HOH A O 1 HETATM 2895 O O . HOH M 8 . ? -13.111 1.647 24.124 1.00 44.29 ? 208 HOH A O 1 HETATM 2896 O O . HOH M 8 . ? 8.551 4.389 32.109 1.00 59.00 ? 209 HOH A O 1 HETATM 2897 O O . HOH M 8 . ? 0.332 11.728 20.902 1.00 54.85 ? 210 HOH A O 1 HETATM 2898 O O . HOH M 8 . ? 8.553 17.186 31.599 1.00 52.08 ? 212 HOH A O 1 HETATM 2899 O O . HOH M 8 . ? -1.521 -19.032 22.146 1.00 49.97 ? 213 HOH A O 1 HETATM 2900 O O . HOH M 8 . ? 24.775 22.150 -3.433 1.00 52.05 ? 214 HOH A O 1 HETATM 2901 O O . HOH M 8 . ? 29.333 1.747 39.313 1.00 34.80 ? 215 HOH A O 1 HETATM 2902 O O . HOH M 8 . ? 15.373 23.587 22.187 1.00 35.09 ? 216 HOH A O 1 HETATM 2903 O O . HOH M 8 . ? 36.234 12.255 27.405 1.00 58.52 ? 217 HOH A O 1 HETATM 2904 O O . HOH M 8 . ? 28.588 -21.800 16.080 1.00 50.90 ? 218 HOH A O 1 HETATM 2905 O O . HOH M 8 . ? 16.890 -20.513 8.493 1.00 55.30 ? 219 HOH A O 1 HETATM 2906 O O . HOH M 8 . ? 19.954 -18.401 5.045 1.00 57.86 ? 220 HOH A O 1 HETATM 2907 O O . HOH M 8 . ? 45.683 15.531 18.628 1.00 48.33 ? 221 HOH A O 1 HETATM 2908 O O . HOH M 8 . ? 30.026 12.755 3.937 1.00 53.86 ? 222 HOH A O 1 HETATM 2909 O O . HOH M 8 . ? 26.690 -20.939 17.734 1.00 56.23 ? 223 HOH A O 1 HETATM 2910 O O . HOH M 8 . ? 17.837 -9.987 -5.273 1.00 55.51 ? 224 HOH A O 1 HETATM 2911 O O . HOH M 8 . ? 7.544 -19.489 22.409 1.00 40.07 ? 225 HOH A O 1 HETATM 2912 O O . HOH M 8 . ? -0.796 -14.305 24.894 1.00 47.37 ? 226 HOH A O 1 HETATM 2913 O O . HOH M 8 . ? 0.648 7.821 7.909 1.00 55.20 ? 227 HOH A O 1 HETATM 2914 O O . HOH M 8 . ? 5.613 15.754 30.388 1.00 53.23 ? 228 HOH A O 1 HETATM 2915 O O . HOH M 8 . ? -9.332 -18.042 14.711 1.00 47.51 ? 229 HOH A O 1 HETATM 2916 O O . HOH M 8 . ? 11.852 -1.500 38.585 1.00 58.54 ? 230 HOH A O 1 HETATM 2917 O O . HOH M 8 . ? 23.219 -1.288 0.057 1.00 58.71 ? 231 HOH A O 1 HETATM 2918 O O . HOH M 8 . ? 5.126 -20.801 21.984 1.00 38.50 ? 232 HOH A O 1 HETATM 2919 O O . HOH M 8 . ? 3.335 10.289 10.979 1.00 47.74 ? 233 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_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_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _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 # _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 ? G FE . ? A FE 694 ? 1_555 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 170.2 ? 2 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? G FE . ? A FE 694 ? 1_555 OH ? A TYR 92 ? A TYR 433 ? 1_555 95.8 ? 3 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? G FE . ? A FE 694 ? 1_555 OH ? A TYR 92 ? A TYR 433 ? 1_555 85.2 ? 4 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? G FE . ? A FE 694 ? 1_555 O2 ? J CO3 . ? A CO3 697 ? 1_555 88.8 ? 5 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? G FE . ? A FE 694 ? 1_555 O2 ? J CO3 . ? A CO3 697 ? 1_555 81.4 ? 6 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? G FE . ? A FE 694 ? 1_555 O2 ? J CO3 . ? A CO3 697 ? 1_555 92.1 ? 7 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? G FE . ? A FE 694 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 100.8 ? 8 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? G FE . ? A FE 694 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 88.4 ? 9 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? G FE . ? A FE 694 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 103.1 ? 10 O2 ? J CO3 . ? A CO3 697 ? 1_555 FE ? G FE . ? A FE 694 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 160.9 ? 11 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? G FE . ? A FE 694 ? 1_555 O1 ? J CO3 . ? A CO3 697 ? 1_555 82.4 ? 12 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? G FE . ? A FE 694 ? 1_555 O1 ? J CO3 . ? A CO3 697 ? 1_555 92.3 ? 13 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? G FE . ? A FE 694 ? 1_555 O1 ? J CO3 . ? A CO3 697 ? 1_555 153.4 ? 14 O2 ? J CO3 . ? A CO3 697 ? 1_555 FE ? G FE . ? A FE 694 ? 1_555 O1 ? J CO3 . ? A CO3 697 ? 1_555 61.4 ? 15 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 FE ? G FE . ? A FE 694 ? 1_555 O1 ? J CO3 . ? A CO3 697 ? 1_555 103.3 ? 16 OE2 ? A GLU 318 ? A GLU 659 ? 1_555 ZN ? H ZN . ? A ZN 695 ? 1_555 O ? M HOH . ? A HOH 216 ? 1_555 103.0 ? # _pdbx_audit_revision_history.ordinal 1 _pdbx_audit_revision_history.data_content_type 'Structure model' _pdbx_audit_revision_history.major_revision 1 _pdbx_audit_revision_history.minor_revision 0 _pdbx_audit_revision_history.revision_date 2011-10-19 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal HKL-2000 'data collection' . ? 1 AMoRE phasing . ? 2 CNS refinement 1.1 ? 3 AUTOMAR 'data reduction' . ? 4 # _pdbx_entry_details.entry_id 3TUS _pdbx_entry_details.nonpolymer_details ? _pdbx_entry_details.sequence_details ;THERE IS A CONFLICT BETWEEN SEQRES(LYS A 565, GLU A 608) AND SEQUENCE DATABASE (ASN, LYS). THE AUTHORS BELIEVE THAT THE SEQRES IS CORRECT AND IS THE TRUE IDENTITY OF THESE RESIDUES AND IS NATURAL MUTANT. ; _pdbx_entry_details.compound_details ? _pdbx_entry_details.source_details ? # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 ND2 A ASN 368 ? ? O5 A NAG 687 ? ? 2.01 2 1 O4 A NAG 692 ? ? O5 A NAG 693 ? ? 2.02 3 1 ND2 A ASN 545 ? ? O5 A NAG 692 ? ? 2.17 # 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 ASP A 424 ? ? -37.96 146.07 2 1 ASP A 462 ? ? 80.16 4.37 3 1 TRP A 467 ? ? -141.66 -65.80 4 1 ALA A 482 ? ? -69.28 55.92 5 1 GLU A 583 ? ? -95.79 34.45 6 1 ASP A 627 ? ? -18.62 -58.55 7 1 SER A 634 ? ? -151.15 40.83 8 1 LEU A 640 ? ? 68.66 -26.95 9 1 ARG A 654 ? ? 34.62 65.33 10 1 GLU A 682 ? ? -157.16 -1.11 # 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 'FE (III) ION' FE 4 'ZINC ION' ZN 5 'CARBONATE ION' CO3 6 'SULFATE ION' SO4 7 '3-HYDROXYBENZOIC ACID' 3HB 8 water HOH # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 NAG 1 687 687 NAG NAG A . C 2 NAG 1 689 689 NAG NAG A . D 2 NAG 2 690 690 NAG NAG A . E 2 NAG 1 692 692 NAG NAG A . F 2 NAG 2 693 693 NAG NAG A . G 3 FE 1 694 694 FE FE A . H 4 ZN 1 695 695 ZN ZN A . I 4 ZN 1 696 696 ZN ZN A . J 5 CO3 1 697 697 CO3 CO3 A . K 6 SO4 1 698 698 SO4 SO4 A . L 7 3HB 1 688 693 3HB 3HB A . M 8 HOH 1 1 1 HOH HOH A . M 8 HOH 2 2 2 HOH HOH A . M 8 HOH 3 3 3 HOH HOH A . M 8 HOH 4 4 4 HOH HOH A . M 8 HOH 5 5 5 HOH HOH A . M 8 HOH 6 6 6 HOH HOH A . M 8 HOH 7 7 7 HOH HOH A . M 8 HOH 8 8 8 HOH HOH A . M 8 HOH 9 9 9 HOH HOH A . M 8 HOH 10 10 10 HOH HOH A . M 8 HOH 11 11 11 HOH HOH A . M 8 HOH 12 12 12 HOH HOH A . M 8 HOH 13 13 13 HOH HOH A . M 8 HOH 14 14 14 HOH HOH A . M 8 HOH 15 15 15 HOH HOH A . M 8 HOH 16 16 16 HOH HOH A . M 8 HOH 17 17 17 HOH HOH A . M 8 HOH 18 18 18 HOH HOH A . M 8 HOH 19 19 19 HOH HOH A . M 8 HOH 20 20 20 HOH HOH A . M 8 HOH 21 21 21 HOH HOH A . M 8 HOH 22 22 22 HOH HOH A . M 8 HOH 23 23 23 HOH HOH A . M 8 HOH 24 24 24 HOH HOH A . M 8 HOH 25 25 25 HOH HOH A . M 8 HOH 26 26 26 HOH HOH A . M 8 HOH 27 27 27 HOH HOH A . M 8 HOH 28 28 28 HOH HOH A . M 8 HOH 29 29 29 HOH HOH A . M 8 HOH 30 30 30 HOH HOH A . M 8 HOH 31 31 31 HOH HOH A . M 8 HOH 32 32 32 HOH HOH A . M 8 HOH 33 33 33 HOH HOH A . M 8 HOH 34 34 34 HOH HOH A . M 8 HOH 35 35 35 HOH HOH A . M 8 HOH 36 36 36 HOH HOH A . M 8 HOH 37 37 37 HOH HOH A . M 8 HOH 38 38 38 HOH HOH A . M 8 HOH 39 39 39 HOH HOH A . M 8 HOH 40 40 40 HOH HOH A . M 8 HOH 41 41 41 HOH HOH A . M 8 HOH 42 42 42 HOH HOH A . M 8 HOH 43 43 43 HOH HOH A . M 8 HOH 44 44 44 HOH HOH A . M 8 HOH 45 45 45 HOH HOH A . M 8 HOH 46 46 46 HOH HOH A . M 8 HOH 47 47 47 HOH HOH A . M 8 HOH 48 48 48 HOH HOH A . M 8 HOH 49 49 49 HOH HOH A . M 8 HOH 50 50 50 HOH HOH A . M 8 HOH 51 51 51 HOH HOH A . M 8 HOH 52 52 52 HOH HOH A . M 8 HOH 53 53 53 HOH HOH A . M 8 HOH 54 54 54 HOH HOH A . M 8 HOH 55 55 55 HOH HOH A . M 8 HOH 56 56 56 HOH HOH A . M 8 HOH 57 57 57 HOH HOH A . M 8 HOH 58 58 58 HOH HOH A . M 8 HOH 59 59 59 HOH HOH A . M 8 HOH 60 60 60 HOH HOH A . M 8 HOH 61 61 61 HOH HOH A . M 8 HOH 62 62 62 HOH HOH A . M 8 HOH 63 63 63 HOH HOH A . M 8 HOH 64 64 64 HOH HOH A . M 8 HOH 65 65 65 HOH HOH A . M 8 HOH 66 66 66 HOH HOH A . M 8 HOH 67 67 67 HOH HOH A . M 8 HOH 68 68 68 HOH HOH A . M 8 HOH 69 69 69 HOH HOH A . M 8 HOH 70 70 70 HOH HOH A . M 8 HOH 71 71 71 HOH HOH A . M 8 HOH 72 73 73 HOH HOH A . M 8 HOH 73 75 75 HOH HOH A . M 8 HOH 74 76 76 HOH HOH A . M 8 HOH 75 77 77 HOH HOH A . M 8 HOH 76 78 78 HOH HOH A . M 8 HOH 77 80 80 HOH HOH A . M 8 HOH 78 81 81 HOH HOH A . M 8 HOH 79 82 82 HOH HOH A . M 8 HOH 80 83 83 HOH HOH A . M 8 HOH 81 84 84 HOH HOH A . M 8 HOH 82 85 85 HOH HOH A . M 8 HOH 83 87 87 HOH HOH A . M 8 HOH 84 88 88 HOH HOH A . M 8 HOH 85 89 89 HOH HOH A . M 8 HOH 86 90 90 HOH HOH A . M 8 HOH 87 91 91 HOH HOH A . M 8 HOH 88 92 92 HOH HOH A . M 8 HOH 89 93 93 HOH HOH A . M 8 HOH 90 94 94 HOH HOH A . M 8 HOH 91 95 95 HOH HOH A . M 8 HOH 92 97 97 HOH HOH A . M 8 HOH 93 98 98 HOH HOH A . M 8 HOH 94 99 99 HOH HOH A . M 8 HOH 95 100 100 HOH HOH A . M 8 HOH 96 101 101 HOH HOH A . M 8 HOH 97 102 102 HOH HOH A . M 8 HOH 98 104 104 HOH HOH A . M 8 HOH 99 105 105 HOH HOH A . M 8 HOH 100 106 106 HOH HOH A . M 8 HOH 101 107 107 HOH HOH A . M 8 HOH 102 108 108 HOH HOH A . M 8 HOH 103 109 109 HOH HOH A . M 8 HOH 104 110 110 HOH HOH A . M 8 HOH 105 111 111 HOH HOH A . M 8 HOH 106 112 112 HOH HOH A . M 8 HOH 107 113 113 HOH HOH A . M 8 HOH 108 114 114 HOH HOH A . M 8 HOH 109 115 115 HOH HOH A . M 8 HOH 110 116 116 HOH HOH A . M 8 HOH 111 117 117 HOH HOH A . M 8 HOH 112 118 118 HOH HOH A . M 8 HOH 113 119 119 HOH HOH A . M 8 HOH 114 120 120 HOH HOH A . M 8 HOH 115 121 121 HOH HOH A . M 8 HOH 116 122 122 HOH HOH A . M 8 HOH 117 123 123 HOH HOH A . M 8 HOH 118 124 124 HOH HOH A . M 8 HOH 119 125 125 HOH HOH A . M 8 HOH 120 126 126 HOH HOH A . M 8 HOH 121 127 127 HOH HOH A . M 8 HOH 122 128 128 HOH HOH A . M 8 HOH 123 129 129 HOH HOH A . M 8 HOH 124 130 130 HOH HOH A . M 8 HOH 125 131 131 HOH HOH A . M 8 HOH 126 132 132 HOH HOH A . M 8 HOH 127 133 133 HOH HOH A . M 8 HOH 128 134 134 HOH HOH A . M 8 HOH 129 135 135 HOH HOH A . M 8 HOH 130 136 136 HOH HOH A . M 8 HOH 131 137 137 HOH HOH A . M 8 HOH 132 138 138 HOH HOH A . M 8 HOH 133 139 139 HOH HOH A . M 8 HOH 134 140 140 HOH HOH A . M 8 HOH 135 141 141 HOH HOH A . M 8 HOH 136 142 142 HOH HOH A . M 8 HOH 137 143 143 HOH HOH A . M 8 HOH 138 144 144 HOH HOH A . M 8 HOH 139 146 146 HOH HOH A . M 8 HOH 140 147 147 HOH HOH A . M 8 HOH 141 148 148 HOH HOH A . M 8 HOH 142 149 149 HOH HOH A . M 8 HOH 143 150 150 HOH HOH A . M 8 HOH 144 151 151 HOH HOH A . M 8 HOH 145 152 152 HOH HOH A . M 8 HOH 146 153 153 HOH HOH A . M 8 HOH 147 154 154 HOH HOH A . M 8 HOH 148 155 155 HOH HOH A . M 8 HOH 149 156 156 HOH HOH A . M 8 HOH 150 157 157 HOH HOH A . M 8 HOH 151 158 158 HOH HOH A . M 8 HOH 152 159 159 HOH HOH A . M 8 HOH 153 160 160 HOH HOH A . M 8 HOH 154 162 162 HOH HOH A . M 8 HOH 155 163 163 HOH HOH A . M 8 HOH 156 164 164 HOH HOH A . M 8 HOH 157 165 165 HOH HOH A . M 8 HOH 158 166 166 HOH HOH A . M 8 HOH 159 167 167 HOH HOH A . M 8 HOH 160 168 168 HOH HOH A . M 8 HOH 161 169 169 HOH HOH A . M 8 HOH 162 170 170 HOH HOH A . M 8 HOH 163 171 171 HOH HOH A . M 8 HOH 164 172 172 HOH HOH A . M 8 HOH 165 173 173 HOH HOH A . M 8 HOH 166 174 174 HOH HOH A . M 8 HOH 167 175 175 HOH HOH A . M 8 HOH 168 176 176 HOH HOH A . M 8 HOH 169 177 177 HOH HOH A . M 8 HOH 170 178 178 HOH HOH A . M 8 HOH 171 179 179 HOH HOH A . M 8 HOH 172 180 180 HOH HOH A . M 8 HOH 173 181 181 HOH HOH A . M 8 HOH 174 182 182 HOH HOH A . M 8 HOH 175 183 183 HOH HOH A . M 8 HOH 176 184 184 HOH HOH A . M 8 HOH 177 185 185 HOH HOH A . M 8 HOH 178 186 186 HOH HOH A . M 8 HOH 179 187 187 HOH HOH A . M 8 HOH 180 188 188 HOH HOH A . M 8 HOH 181 189 189 HOH HOH A . M 8 HOH 182 190 190 HOH HOH A . M 8 HOH 183 191 191 HOH HOH A . M 8 HOH 184 192 192 HOH HOH A . M 8 HOH 185 193 193 HOH HOH A . M 8 HOH 186 194 194 HOH HOH A . M 8 HOH 187 195 195 HOH HOH A . M 8 HOH 188 196 196 HOH HOH A . M 8 HOH 189 197 197 HOH HOH A . M 8 HOH 190 198 198 HOH HOH A . M 8 HOH 191 199 199 HOH HOH A . M 8 HOH 192 200 200 HOH HOH A . M 8 HOH 193 201 201 HOH HOH A . M 8 HOH 194 202 202 HOH HOH A . M 8 HOH 195 203 203 HOH HOH A . M 8 HOH 196 204 204 HOH HOH A . M 8 HOH 197 206 206 HOH HOH A . M 8 HOH 198 207 207 HOH HOH A . M 8 HOH 199 208 208 HOH HOH A . M 8 HOH 200 209 209 HOH HOH A . M 8 HOH 201 210 210 HOH HOH A . M 8 HOH 202 212 212 HOH HOH A . M 8 HOH 203 213 213 HOH HOH A . M 8 HOH 204 214 214 HOH HOH A . M 8 HOH 205 215 215 HOH HOH A . M 8 HOH 206 216 216 HOH HOH A . M 8 HOH 207 217 217 HOH HOH A . M 8 HOH 208 218 218 HOH HOH A . M 8 HOH 209 219 219 HOH HOH A . M 8 HOH 210 220 220 HOH HOH A . M 8 HOH 211 221 221 HOH HOH A . M 8 HOH 212 222 222 HOH HOH A . M 8 HOH 213 223 223 HOH HOH A . M 8 HOH 214 224 224 HOH HOH A . M 8 HOH 215 225 225 HOH HOH A . M 8 HOH 216 226 226 HOH HOH A . M 8 HOH 217 227 227 HOH HOH A . M 8 HOH 218 228 228 HOH HOH A . M 8 HOH 219 229 229 HOH HOH A . M 8 HOH 220 230 230 HOH HOH A . M 8 HOH 221 231 231 HOH HOH A . M 8 HOH 222 232 232 HOH HOH A . M 8 HOH 223 233 233 HOH HOH A . #