data_3TAJ # _entry.id 3TAJ # _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 3TAJ RCSB RCSB067242 WWPDB D_1000067242 # _pdbx_database_related.db_name PDB _pdbx_database_related.db_id 3O97 _pdbx_database_related.details . _pdbx_database_related.content_type unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 3TAJ _pdbx_database_status.recvd_initial_deposition_date 2011-08-04 _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 'Yamini, S.' 1 'Gautam, L.' 2 'Sinha, M.' 3 'Kaur, P.' 4 'Sharma, S.' 5 'Singh, T.P.' 6 # _citation.id primary _citation.title 'Crystal structure of C-lobe of bovine lactoferrin complexed with Nabumetone at 1.7A 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 'Yamini, S.' 1 primary 'Gautam, L.' 2 primary 'Sinha, M.' 3 primary 'Kaur, P.' 4 primary 'Sharma, S.' 5 primary 'Singh, T.P.' 6 # _cell.entry_id 3TAJ _cell.length_a 61.347 _cell.length_b 49.826 _cell.length_c 65.068 _cell.angle_alpha 90.00 _cell.angle_beta 106.63 _cell.angle_gamma 90.00 _cell.Z_PDB 2 _cell.pdbx_unique_axis ? # _symmetry.entry_id 3TAJ _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 syn nabumetone 228.286 1 ? ? ? ? 3 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 5 ? ? ? ? 4 non-polymer syn 'ZINC ION' 65.409 2 ? ? ? ? 5 non-polymer syn 'FE (III) ION' 55.845 1 ? ? ? ? 6 non-polymer syn 'CARBONATE ION' 60.009 1 ? ? ? ? 7 non-polymer syn 'SULFATE ION' 96.063 1 ? ? ? ? 8 water nat water 18.015 224 ? ? ? ? # _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 3TAJ _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 3TAJ LYS A 224 ? UNP P24627 ASN 584 'SEE REMARK 999' 565 1 1 3TAJ GLU A 267 ? UNP P24627 LYS 627 'SEE REMARK 999' 608 2 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CO3 non-polymer . 'CARBONATE ION' ? 'C O3 -2' 60.009 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 FE non-polymer . 'FE (III) ION' ? 'Fe 3' 55.845 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 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 NBO non-polymer . nabumetone '4-(6-methoxynaphthalen-2-yl)butan-2-one' 'C15 H16 O2' 228.286 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 3TAJ _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.53 _exptl_crystal.density_percent_sol 51.39 _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 77 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type MARRESEARCH _diffrn_detector.pdbx_collection_date 2011-07-16 _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 0.97 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'ESRF BEAMLINE BM14' _diffrn_source.pdbx_synchrotron_site ESRF _diffrn_source.pdbx_synchrotron_beamline BM14 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 0.97 # _reflns.entry_id 3TAJ _reflns.observed_criterion_sigma_I 0.0 _reflns.observed_criterion_sigma_F 0.0 _reflns.d_resolution_low 62.35 _reflns.d_resolution_high 1.70 _reflns.number_obs 41412 _reflns.number_all 41412 _reflns.percent_possible_obs 99.8 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value 0.47 _reflns.pdbx_netI_over_sigmaI 27.0 _reflns.B_iso_Wilson_estimate 20.2 _reflns.pdbx_redundancy ? _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # _reflns_shell.d_res_high 1.70 _reflns_shell.d_res_low 1.73 _reflns_shell.percent_possible_all 97.2 _reflns_shell.Rmerge_I_obs ? _reflns_shell.pdbx_Rsym_value 0.325 _reflns_shell.meanI_over_sigI_obs 2.3 _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 3TAJ _refine.ls_number_reflns_obs 39257 _refine.ls_number_reflns_all 41412 _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 50.0 _refine.ls_d_res_high 1.70 _refine.ls_percent_reflns_obs 99.58 _refine.ls_R_factor_obs 0.20293 _refine.ls_R_factor_all 0.20310 _refine.ls_R_factor_R_work 0.20182 _refine.ls_R_factor_R_free 0.22329 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.0 _refine.ls_number_reflns_R_free 2082 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.953 _refine.correlation_coeff_Fo_to_Fc_free 0.943 _refine.B_iso_mean 26.934 _refine.aniso_B[1][1] 0.90 _refine.aniso_B[2][2] -1.01 _refine.aniso_B[3][3] -0.55 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] -1.15 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details MASK _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.40 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' _refine.pdbx_starting_model 3O97 _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model RESTRAINED _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R_Free 0.106 _refine.overall_SU_ML 0.071 _refine.pdbx_overall_phase_error ? _refine.overall_SU_B 2.119 _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_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 99 _refine_hist.number_atoms_solvent 224 _refine_hist.number_atoms_total 2927 _refine_hist.d_res_high 1.70 _refine_hist.d_res_low 50.0 # 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 r_bond_refined_d 0.006 0.022 ? 2762 ? 'X-RAY DIFFRACTION' r_angle_refined_deg 1.099 1.988 ? 3751 ? 'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 5.702 5.000 ? 339 ? 'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 37.863 25.169 ? 118 ? 'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 14.161 15.000 ? 448 ? 'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 16.621 15.000 ? 12 ? 'X-RAY DIFFRACTION' r_chiral_restr 0.070 0.200 ? 423 ? 'X-RAY DIFFRACTION' r_gen_planes_refined 0.003 0.021 ? 2065 ? 'X-RAY DIFFRACTION' r_mcbond_it 0.663 1.500 ? 1692 ? 'X-RAY DIFFRACTION' r_mcangle_it 1.243 2.000 ? 2699 ? 'X-RAY DIFFRACTION' r_scbond_it 1.171 3.000 ? 1070 ? 'X-RAY DIFFRACTION' r_scangle_it 2.091 4.500 ? 1052 ? 'X-RAY DIFFRACTION' # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 1.702 _refine_ls_shell.d_res_low 1.746 _refine_ls_shell.number_reflns_R_work 2757 _refine_ls_shell.R_factor_R_work 0.273 _refine_ls_shell.percent_reflns_obs 96.37 _refine_ls_shell.R_factor_R_free 0.287 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 139 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.redundancy_reflns_obs ? # _struct.entry_id 3TAJ _struct.title 'Crystal structure of C-lobe of bovine lactoferrin complexed with Nabumetone at 1.7A 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 3TAJ _struct_keywords.pdbx_keywords HYDROLASE _struct_keywords.text 'C-lobe, Lactoferrin, NSAIDs, Nabumetone, 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 3 ? D N N 3 ? E N N 3 ? F N N 3 ? 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 ? LYS A 45 ? THR A 376 LYS A 386 1 ? 11 HELX_P HELX_P3 3 ASP A 54 ? CYS A 64 ? ASP A 395 CYS A 405 1 ? 11 HELX_P HELX_P4 4 ASP A 83 ? ARG A 87 ? ASP A 424 ARG A 428 5 ? 5 HELX_P HELX_P5 5 THR A 106 ? LEU A 110 ? THR A 447 LEU A 451 5 ? 5 HELX_P HELX_P6 6 TRP A 126 ? GLY A 138 ? TRP A 467 GLY A 479 1 ? 13 HELX_P HELX_P7 7 TYR A 183 ? GLU A 194 ? TYR A 524 GLU A 535 1 ? 12 HELX_P HELX_P8 8 ASN A 204 ? ASN A 210 ? ASN A 545 ASN A 551 1 ? 7 HELX_P HELX_P9 9 LYS A 224 ? GLU A 226 ? LYS A 565 GLU A 567 5 ? 3 HELX_P HELX_P10 10 THR A 241 ? CYS A 246 ? THR A 582 CYS A 587 5 ? 6 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 333 ? GLY A 662 LYS A 674 1 ? 13 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 7 SG ? ? ? 1_555 A CYS 39 SG ? ? A CYS 348 A CYS 380 1_555 ? ? ? ? ? ? ? 2.031 ? disulf2 disulf ? ? A CYS 17 SG ? ? ? 1_555 A CYS 30 SG ? ? A CYS 358 A CYS 371 1_555 ? ? ? ? ? ? ? 2.029 ? disulf3 disulf ? ? A CYS 64 SG ? ? ? 1_555 A CYS 343 SG ? ? A CYS 405 A CYS 684 1_555 ? ? ? ? ? ? ? 2.035 ? disulf4 disulf ? ? A CYS 84 SG ? ? ? 1_555 A CYS 306 SG ? ? A CYS 425 A CYS 647 1_555 ? ? ? ? ? ? ? 2.028 ? disulf5 disulf ? ? A CYS 116 SG ? ? ? 1_555 A CYS 191 SG ? ? A CYS 457 A CYS 532 1_555 ? ? ? ? ? ? ? 2.031 ? disulf6 disulf ? ? A CYS 140 SG ? ? ? 1_555 A CYS 334 SG ? ? A CYS 481 A CYS 675 1_555 ? ? ? ? ? ? ? 2.032 ? disulf7 disulf ? ? A CYS 150 SG ? ? ? 1_555 A CYS 164 SG ? ? A CYS 491 A CYS 505 1_555 ? ? ? ? ? ? ? 2.041 ? disulf8 disulf ? ? A CYS 161 SG ? ? ? 1_555 A CYS 174 SG ? ? A CYS 502 A CYS 515 1_555 ? ? ? ? ? ? ? 2.019 ? disulf9 disulf ? ? A CYS 232 SG ? ? ? 1_555 A CYS 246 SG ? ? A CYS 573 A CYS 587 1_555 ? ? ? ? ? ? ? 2.035 ? disulf10 disulf ? ? A CYS 284 SG ? ? ? 1_555 A CYS 289 SG ? ? A CYS 625 A CYS 630 1_555 ? ? ? ? ? ? ? 2.035 ? covale1 covale ? ? A ASN 135 ND2 ? ? ? 1_555 D NAG . C1 ? ? A ASN 476 A NAG 2 1_555 ? ? ? ? ? ? ? 1.430 ? covale2 covale ? ? A ASN 27 ND2 ? ? ? 1_555 C NAG . C1 ? ? A ASN 368 A NAG 1 1_555 ? ? ? ? ? ? ? 1.432 ? covale3 covale ? ? A ASN 204 ND2 ? ? ? 1_555 F NAG . C1 ? ? A ASN 545 A NAG 5 1_555 ? ? ? ? ? ? ? 1.436 ? covale4 covale ? ? F NAG . O4 ? ? ? 1_555 G NAG . C1 ? ? A NAG 5 A NAG 6 1_555 ? ? ? ? ? ? ? 1.444 ? covale5 covale ? ? D NAG . O4 ? ? ? 1_555 E NAG . C1 ? ? A NAG 2 A NAG 3 1_555 ? ? ? ? ? ? ? 1.446 ? metalc1 metalc ? ? A TYR 185 OH ? ? ? 1_555 J FE . FE ? ? A TYR 526 A FE 690 1_555 ? ? ? ? ? ? ? 2.001 ? metalc2 metalc ? ? A TYR 92 OH ? ? ? 1_555 J FE . FE ? ? A TYR 433 A FE 690 1_555 ? ? ? ? ? ? ? 2.005 ? metalc3 metalc ? ? A HIS 247 NE2 ? ? ? 1_555 I ZN . ZN ? ? A HIS 588 A ZN 303 1_555 ? ? ? ? ? ? ? 2.046 ? metalc4 metalc ? ? H ZN . ZN ? ? ? 1_555 M HOH . O ? ? A ZN 302 A HOH 157 1_555 ? ? ? ? ? ? ? 2.064 ? metalc5 metalc ? ? A ASP 54 OD1 ? ? ? 1_555 J FE . FE ? ? A ASP 395 A FE 690 1_555 ? ? ? ? ? ? ? 2.094 ? metalc6 metalc ? ? J FE . FE ? ? ? 1_555 K CO3 . O2 ? ? A FE 690 A CO3 691 1_555 ? ? ? ? ? ? ? 2.113 ? metalc7 metalc ? ? A GLU 318 OE2 ? ? ? 1_555 H ZN . ZN ? ? A GLU 659 A ZN 302 1_555 ? ? ? ? ? ? ? 2.119 ? metalc8 metalc ? ? J FE . FE ? ? ? 1_555 K CO3 . O1 ? ? A FE 690 A CO3 691 1_555 ? ? ? ? ? ? ? 2.209 ? metalc9 metalc ? ? A HIS 254 NE2 ? ? ? 1_555 J FE . FE ? ? A HIS 595 A FE 690 1_555 ? ? ? ? ? ? ? 2.212 ? metalc10 metalc ? ? A GLU 318 OE1 ? ? ? 1_555 H ZN . ZN ? ? A GLU 659 A ZN 302 1_555 ? ? ? ? ? ? ? 2.257 ? metalc11 metalc ? ? I ZN . ZN ? ? ? 1_555 M HOH . O ? ? A ZN 303 A HOH 689 1_555 ? ? ? ? ? ? ? 2.258 ? # 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 8.96 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 2 ? B ? 4 ? C ? 6 ? D ? 5 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? parallel B 1 2 ? anti-parallel B 2 3 ? anti-parallel B 3 4 ? anti-parallel C 1 2 ? parallel C 2 3 ? parallel C 3 4 ? anti-parallel C 4 5 ? anti-parallel C 5 6 ? anti-parallel D 1 2 ? parallel D 2 3 ? parallel D 3 4 ? anti-parallel D 4 5 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 VAL A 4 ? VAL A 9 ? VAL A 345 VAL A 350 A 2 VAL A 28 ? ALA A 33 ? VAL A 369 ALA A 374 B 1 ALA A 50 ? LEU A 53 ? ALA A 391 LEU A 394 B 2 ALA A 255 ? ARG A 259 ? ALA A 596 ARG A 600 B 3 LEU A 66 ? ASN A 73 ? LEU A 407 ASN A 414 B 4 CYS A 306 ? ALA A 308 ? CYS A 647 ALA A 649 C 1 GLN A 148 ? CYS A 150 ? GLN A 489 CYS A 491 C 2 LYS A 114 ? HIS A 117 ? LYS A 455 HIS A 458 C 3 VAL A 199 ? LYS A 203 ? VAL A 540 LYS A 544 C 4 TYR A 92 ? LYS A 99 ? TYR A 433 LYS A 440 C 5 PHE A 228 ? LEU A 231 ? PHE A 569 LEU A 572 C 6 ARG A 237 ? PRO A 239 ? ARG A 578 PRO A 580 D 1 GLN A 148 ? CYS A 150 ? GLN A 489 CYS A 491 D 2 LYS A 114 ? HIS A 117 ? LYS A 455 HIS A 458 D 3 VAL A 199 ? LYS A 203 ? VAL A 540 LYS A 544 D 4 TYR A 92 ? LYS A 99 ? TYR A 433 LYS A 440 D 5 ALA A 249 ? ALA A 251 ? ALA A 590 ALA A 592 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 N TRP A 6 ? N TRP A 347 O THR A 29 ? O THR A 370 B 1 2 N LEU A 53 ? N LEU A 394 O ALA A 255 ? O ALA A 596 B 2 3 O VAL A 256 ? O VAL A 597 N VAL A 69 ? N VAL A 410 B 3 4 N ALA A 71 ? N ALA A 412 O ALA A 308 ? O ALA A 649 C 1 2 O CYS A 150 ? O CYS A 491 N HIS A 117 ? N HIS A 458 C 2 3 N CYS A 116 ? N CYS A 457 O PHE A 201 ? O PHE A 542 C 3 4 O ALA A 200 ? O ALA A 541 N VAL A 97 ? N VAL A 438 C 4 5 N VAL A 98 ? N VAL A 439 O ARG A 229 ? O ARG A 570 C 5 6 N LEU A 230 ? N LEU A 571 O LYS A 238 ? O LYS A 579 D 1 2 O CYS A 150 ? O CYS A 491 N HIS A 117 ? N HIS A 458 D 2 3 N CYS A 116 ? N CYS A 457 O PHE A 201 ? O PHE A 542 D 3 4 O ALA A 200 ? O ALA A 541 N VAL A 97 ? N VAL A 438 D 4 5 N TYR A 92 ? N TYR A 433 O ALA A 251 ? O ALA A 592 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE NBO A 700' AC2 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE NAG A 1' AC3 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG A 2' AC4 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG A 3' AC5 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG A 5' AC6 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 6' AC7 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE ZN A 302' AC8 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE ZN A 303' AC9 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE FE A 690' BC1 Software ? ? ? ? 10 'BINDING SITE FOR RESIDUE CO3 A 691' BC2 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE SO4 A 301' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 8 THR A 89 ? THR A 430 . ? 1_555 ? 2 AC1 8 GLY A 91 ? GLY A 432 . ? 1_555 ? 3 AC1 8 PRO A 252 ? PRO A 593 . ? 1_555 ? 4 AC1 8 ASN A 253 ? ASN A 594 . ? 1_555 ? 5 AC1 8 GLU A 318 ? GLU A 659 . ? 1_555 ? 6 AC1 8 TYR A 319 ? TYR A 660 . ? 1_555 ? 7 AC1 8 GLY A 321 ? GLY A 662 . ? 1_555 ? 8 AC1 8 THR A 322 ? THR A 663 . ? 1_555 ? 9 AC2 8 HOH M . ? HOH A 212 . ? 1_555 ? 10 AC2 8 THR A 2 ? THR A 343 . ? 1_555 ? 11 AC2 8 GLN A 23 ? GLN A 364 . ? 1_555 ? 12 AC2 8 SER A 24 ? SER A 365 . ? 1_555 ? 13 AC2 8 ASN A 27 ? ASN A 368 . ? 1_555 ? 14 AC2 8 HIS A 272 ? HIS A 613 . ? 1_555 ? 15 AC2 8 GLN A 273 ? GLN A 614 . ? 1_555 ? 16 AC2 8 LEU A 276 ? LEU A 617 . ? 1_555 ? 17 AC3 6 NAG E . ? NAG A 3 . ? 1_555 ? 18 AC3 6 HOH M . ? HOH A 91 . ? 1_555 ? 19 AC3 6 HOH M . ? HOH A 129 . ? 1_555 ? 20 AC3 6 HOH M . ? HOH A 223 . ? 1_555 ? 21 AC3 6 ASN A 135 ? ASN A 476 . ? 1_555 ? 22 AC3 6 ASN A 330 ? ASN A 671 . ? 1_555 ? 23 AC4 3 NAG D . ? NAG A 2 . ? 1_555 ? 24 AC4 3 HOH M . ? HOH A 223 . ? 1_555 ? 25 AC4 3 ASN A 330 ? ASN A 671 . ? 1_555 ? 26 AC5 5 NAG G . ? NAG A 6 . ? 1_555 ? 27 AC5 5 HOH M . ? HOH A 163 . ? 1_555 ? 28 AC5 5 ASN A 204 ? ASN A 545 . ? 1_555 ? 29 AC5 5 ASP A 205 ? ASP A 546 . ? 1_555 ? 30 AC5 5 TRP A 208 ? TRP A 549 . ? 1_555 ? 31 AC6 4 NAG F . ? NAG A 5 . ? 1_555 ? 32 AC6 4 HOH M . ? HOH A 175 . ? 1_555 ? 33 AC6 4 HOH M . ? HOH A 239 . ? 1_555 ? 34 AC6 4 TRP A 208 ? TRP A 549 . ? 1_555 ? 35 AC7 2 HOH M . ? HOH A 157 . ? 1_555 ? 36 AC7 2 GLU A 318 ? GLU A 659 . ? 1_555 ? 37 AC8 2 HIS A 247 ? HIS A 588 . ? 1_555 ? 38 AC8 2 HOH M . ? HOH A 689 . ? 1_555 ? 39 AC9 5 ASP A 54 ? ASP A 395 . ? 1_555 ? 40 AC9 5 TYR A 92 ? TYR A 433 . ? 1_555 ? 41 AC9 5 TYR A 185 ? TYR A 526 . ? 1_555 ? 42 AC9 5 HIS A 254 ? HIS A 595 . ? 1_555 ? 43 AC9 5 CO3 K . ? CO3 A 691 . ? 1_555 ? 44 BC1 10 ASP A 54 ? ASP A 395 . ? 1_555 ? 45 BC1 10 TYR A 92 ? TYR A 433 . ? 1_555 ? 46 BC1 10 THR A 118 ? THR A 459 . ? 1_555 ? 47 BC1 10 ARG A 122 ? ARG A 463 . ? 1_555 ? 48 BC1 10 THR A 123 ? THR A 464 . ? 1_555 ? 49 BC1 10 ALA A 124 ? ALA A 465 . ? 1_555 ? 50 BC1 10 GLY A 125 ? GLY A 466 . ? 1_555 ? 51 BC1 10 TYR A 185 ? TYR A 526 . ? 1_555 ? 52 BC1 10 HIS A 254 ? HIS A 595 . ? 1_555 ? 53 BC1 10 FE J . ? FE A 690 . ? 1_555 ? 54 BC2 3 HOH M . ? HOH A 229 . ? 1_555 ? 55 BC2 3 ARG A 229 ? ARG A 570 . ? 1_555 ? 56 BC2 3 ARG A 237 ? ARG A 578 . ? 1_555 ? # _database_PDB_matrix.entry_id 3TAJ _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 3TAJ _atom_sites.fract_transf_matrix[1][1] 0.016301 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.004869 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.020070 _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] 0.016039 _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 ? 42.393 10.268 29.654 1.00 50.99 ? 342 TYR A N 1 ATOM 2 C CA . TYR A 1 1 ? 41.852 11.638 29.912 1.00 50.82 ? 342 TYR A CA 1 ATOM 3 C C . TYR A 1 1 ? 40.606 11.951 29.076 1.00 49.76 ? 342 TYR A C 1 ATOM 4 O O . TYR A 1 1 ? 39.702 12.650 29.544 1.00 49.86 ? 342 TYR A O 1 ATOM 5 C CB . TYR A 1 1 ? 42.937 12.701 29.682 1.00 51.42 ? 342 TYR A CB 1 ATOM 6 C CG . TYR A 1 1 ? 43.717 13.112 30.923 1.00 53.04 ? 342 TYR A CG 1 ATOM 7 C CD1 . TYR A 1 1 ? 43.685 14.433 31.378 1.00 54.36 ? 342 TYR A CD1 1 ATOM 8 C CD2 . TYR A 1 1 ? 44.492 12.190 31.634 1.00 54.34 ? 342 TYR A CD2 1 ATOM 9 C CE1 . TYR A 1 1 ? 44.401 14.826 32.510 1.00 55.22 ? 342 TYR A CE1 1 ATOM 10 C CE2 . TYR A 1 1 ? 45.210 12.574 32.770 1.00 55.20 ? 342 TYR A CE2 1 ATOM 11 C CZ . TYR A 1 1 ? 45.159 13.893 33.200 1.00 55.55 ? 342 TYR A CZ 1 ATOM 12 O OH . TYR A 1 1 ? 45.868 14.278 34.315 1.00 55.82 ? 342 TYR A OH 1 ATOM 13 N N . THR A 1 2 ? 40.617 11.494 27.831 1.00 48.00 ? 343 THR A N 1 ATOM 14 C CA . THR A 1 2 ? 39.493 11.673 26.932 1.00 45.97 ? 343 THR A CA 1 ATOM 15 C C . THR A 1 2 ? 39.216 10.328 26.292 1.00 43.95 ? 343 THR A C 1 ATOM 16 O O . THR A 1 2 ? 39.428 10.137 25.094 1.00 43.93 ? 343 THR A O 1 ATOM 17 C CB . THR A 1 2 ? 39.800 12.707 25.836 1.00 46.23 ? 343 THR A CB 1 ATOM 18 O OG1 . THR A 1 2 ? 40.927 12.270 25.065 1.00 46.45 ? 343 THR A OG1 1 ATOM 19 C CG2 . THR A 1 2 ? 40.110 14.062 26.455 1.00 46.34 ? 343 THR A CG2 1 ATOM 20 N N . ARG A 1 3 ? 38.740 9.394 27.106 1.00 41.08 ? 344 ARG A N 1 ATOM 21 C CA . ARG A 1 3 ? 38.431 8.059 26.631 1.00 38.04 ? 344 ARG A CA 1 ATOM 22 C C . ARG A 1 3 ? 36.945 7.812 26.799 1.00 35.37 ? 344 ARG A C 1 ATOM 23 O O . ARG A 1 3 ? 36.391 8.001 27.882 1.00 35.01 ? 344 ARG A O 1 ATOM 24 C CB . ARG A 1 3 ? 39.231 7.012 27.408 1.00 38.51 ? 344 ARG A CB 1 ATOM 25 C CG . ARG A 1 3 ? 38.969 5.580 26.971 1.00 39.57 ? 344 ARG A CG 1 ATOM 26 C CD . ARG A 1 3 ? 39.771 4.593 27.802 1.00 41.51 ? 344 ARG A CD 1 ATOM 27 N NE . ARG A 1 3 ? 39.433 4.672 29.221 1.00 43.01 ? 344 ARG A NE 1 ATOM 28 C CZ . ARG A 1 3 ? 39.985 3.915 30.163 1.00 43.75 ? 344 ARG A CZ 1 ATOM 29 N NH1 . ARG A 1 3 ? 40.906 3.017 29.841 1.00 44.22 ? 344 ARG A NH1 1 ATOM 30 N NH2 . ARG A 1 3 ? 39.616 4.055 31.429 1.00 43.97 ? 344 ARG A NH2 1 ATOM 31 N N . VAL A 1 4 ? 36.302 7.389 25.720 1.00 31.81 ? 345 VAL A N 1 ATOM 32 C CA . VAL A 1 4 ? 34.864 7.120 25.755 1.00 28.47 ? 345 VAL A CA 1 ATOM 33 C C . VAL A 1 4 ? 34.607 5.617 25.795 1.00 26.20 ? 345 VAL A C 1 ATOM 34 O O . VAL A 1 4 ? 35.145 4.866 24.985 1.00 25.63 ? 345 VAL A O 1 ATOM 35 C CB . VAL A 1 4 ? 34.118 7.783 24.564 1.00 28.52 ? 345 VAL A CB 1 ATOM 36 C CG1 . VAL A 1 4 ? 32.683 7.268 24.448 1.00 28.34 ? 345 VAL A CG1 1 ATOM 37 C CG2 . VAL A 1 4 ? 34.116 9.291 24.725 1.00 28.29 ? 345 VAL A CG2 1 ATOM 38 N N . VAL A 1 5 ? 33.792 5.191 26.754 1.00 23.47 ? 346 VAL A N 1 ATOM 39 C CA . VAL A 1 5 ? 33.422 3.790 26.880 1.00 21.13 ? 346 VAL A CA 1 ATOM 40 C C . VAL A 1 5 ? 32.084 3.580 26.179 1.00 19.67 ? 346 VAL A C 1 ATOM 41 O O . VAL A 1 5 ? 31.054 4.085 26.624 1.00 19.03 ? 346 VAL A O 1 ATOM 42 C CB . VAL A 1 5 ? 33.343 3.354 28.362 1.00 21.26 ? 346 VAL A CB 1 ATOM 43 C CG1 . VAL A 1 5 ? 33.001 1.870 28.474 1.00 20.83 ? 346 VAL A CG1 1 ATOM 44 C CG2 . VAL A 1 5 ? 34.661 3.652 29.073 1.00 21.17 ? 346 VAL A CG2 1 ATOM 45 N N . TRP A 1 6 ? 32.110 2.855 25.065 1.00 18.15 ? 347 TRP A N 1 ATOM 46 C CA . TRP A 1 6 ? 30.892 2.543 24.326 1.00 17.12 ? 347 TRP A CA 1 ATOM 47 C C . TRP A 1 6 ? 30.220 1.326 24.934 1.00 16.56 ? 347 TRP A C 1 ATOM 48 O O . TRP A 1 6 ? 30.901 0.453 25.473 1.00 16.54 ? 347 TRP A O 1 ATOM 49 C CB . TRP A 1 6 ? 31.208 2.265 22.857 1.00 16.87 ? 347 TRP A CB 1 ATOM 50 C CG . TRP A 1 6 ? 30.053 2.572 21.967 1.00 16.40 ? 347 TRP A CG 1 ATOM 51 C CD1 . TRP A 1 6 ? 29.200 1.682 21.381 1.00 15.83 ? 347 TRP A CD1 1 ATOM 52 C CD2 . TRP A 1 6 ? 29.600 3.873 21.589 1.00 15.66 ? 347 TRP A CD2 1 ATOM 53 N NE1 . TRP A 1 6 ? 28.252 2.351 20.642 1.00 15.97 ? 347 TRP A NE1 1 ATOM 54 C CE2 . TRP A 1 6 ? 28.475 3.699 20.755 1.00 15.35 ? 347 TRP A CE2 1 ATOM 55 C CE3 . TRP A 1 6 ? 30.046 5.174 21.867 1.00 16.02 ? 347 TRP A CE3 1 ATOM 56 C CZ2 . TRP A 1 6 ? 27.783 4.779 20.196 1.00 15.76 ? 347 TRP A CZ2 1 ATOM 57 C CZ3 . TRP A 1 6 ? 29.360 6.248 21.313 1.00 15.25 ? 347 TRP A CZ3 1 ATOM 58 C CH2 . TRP A 1 6 ? 28.240 6.043 20.485 1.00 15.81 ? 347 TRP A CH2 1 ATOM 59 N N . CYS A 1 7 ? 28.891 1.264 24.856 1.00 15.80 ? 348 CYS A N 1 ATOM 60 C CA . CYS A 1 7 ? 28.187 0.062 25.291 1.00 15.24 ? 348 CYS A CA 1 ATOM 61 C C . CYS A 1 7 ? 27.656 -0.713 24.101 1.00 15.13 ? 348 CYS A C 1 ATOM 62 O O . CYS A 1 7 ? 26.821 -0.220 23.340 1.00 15.08 ? 348 CYS A O 1 ATOM 63 C CB . CYS A 1 7 ? 27.058 0.363 26.275 1.00 15.14 ? 348 CYS A CB 1 ATOM 64 S SG . CYS A 1 7 ? 26.589 -1.117 27.221 1.00 14.72 ? 348 CYS A SG 1 ATOM 65 N N . ALA A 1 8 ? 28.160 -1.933 23.957 1.00 14.92 ? 349 ALA A N 1 ATOM 66 C CA . ALA A 1 8 ? 27.767 -2.827 22.880 1.00 14.85 ? 349 ALA A CA 1 ATOM 67 C C . ALA A 1 8 ? 26.706 -3.792 23.385 1.00 14.79 ? 349 ALA A C 1 ATOM 68 O O . ALA A 1 8 ? 26.811 -4.311 24.499 1.00 14.86 ? 349 ALA A O 1 ATOM 69 C CB . ALA A 1 8 ? 28.978 -3.588 22.368 1.00 15.02 ? 349 ALA A CB 1 ATOM 70 N N . VAL A 1 9 ? 25.683 -4.021 22.567 1.00 14.83 ? 350 VAL A N 1 ATOM 71 C CA . VAL A 1 9 ? 24.582 -4.912 22.932 1.00 14.90 ? 350 VAL A CA 1 ATOM 72 C C . VAL A 1 9 ? 24.784 -6.265 22.252 1.00 15.26 ? 350 VAL A C 1 ATOM 73 O O . VAL A 1 9 ? 24.580 -6.405 21.044 1.00 15.14 ? 350 VAL A O 1 ATOM 74 C CB . VAL A 1 9 ? 23.201 -4.305 22.557 1.00 14.89 ? 350 VAL A CB 1 ATOM 75 C CG1 . VAL A 1 9 ? 22.067 -5.250 22.934 1.00 15.02 ? 350 VAL A CG1 1 ATOM 76 C CG2 . VAL A 1 9 ? 23.007 -2.956 23.242 1.00 14.60 ? 350 VAL A CG2 1 ATOM 77 N N . GLY A 1 10 ? 25.204 -7.255 23.034 1.00 15.73 ? 351 GLY A N 1 ATOM 78 C CA . GLY A 1 10 ? 25.452 -8.595 22.506 1.00 16.64 ? 351 GLY A CA 1 ATOM 79 C C . GLY A 1 10 ? 26.850 -8.762 21.933 1.00 17.28 ? 351 GLY A C 1 ATOM 80 O O . GLY A 1 10 ? 27.557 -7.778 21.720 1.00 17.37 ? 351 GLY A O 1 ATOM 81 N N . PRO A 1 11 ? 27.251 -10.019 21.662 1.00 17.80 ? 352 PRO A N 1 ATOM 82 C CA . PRO A 1 11 ? 28.620 -10.373 21.265 1.00 18.16 ? 352 PRO A CA 1 ATOM 83 C C . PRO A 1 11 ? 29.072 -9.916 19.873 1.00 18.39 ? 352 PRO A C 1 ATOM 84 O O . PRO A 1 11 ? 30.275 -9.777 19.643 1.00 18.65 ? 352 PRO A O 1 ATOM 85 C CB . PRO A 1 11 ? 28.626 -11.904 21.346 1.00 18.25 ? 352 PRO A CB 1 ATOM 86 C CG . PRO A 1 11 ? 27.219 -12.297 21.186 1.00 18.38 ? 352 PRO A CG 1 ATOM 87 C CD . PRO A 1 11 ? 26.396 -11.210 21.804 1.00 17.90 ? 352 PRO A CD 1 ATOM 88 N N . GLU A 1 12 ? 28.135 -9.699 18.953 1.00 18.43 ? 353 GLU A N 1 ATOM 89 C CA . GLU A 1 12 ? 28.495 -9.244 17.611 1.00 18.59 ? 353 GLU A CA 1 ATOM 90 C C . GLU A 1 12 ? 28.854 -7.763 17.641 1.00 18.27 ? 353 GLU A C 1 ATOM 91 O O . GLU A 1 12 ? 29.858 -7.349 17.060 1.00 18.07 ? 353 GLU A O 1 ATOM 92 C CB . GLU A 1 12 ? 27.372 -9.524 16.615 1.00 18.86 ? 353 GLU A CB 1 ATOM 93 C CG . GLU A 1 12 ? 27.017 -11.003 16.512 1.00 20.24 ? 353 GLU A CG 1 ATOM 94 C CD . GLU A 1 12 ? 26.098 -11.305 15.354 1.00 22.44 ? 353 GLU A CD 1 ATOM 95 O OE1 . GLU A 1 12 ? 25.097 -10.583 15.181 1.00 23.22 ? 353 GLU A OE1 1 ATOM 96 O OE2 . GLU A 1 12 ? 26.373 -12.272 14.614 1.00 24.04 ? 353 GLU A OE2 1 ATOM 97 N N . GLU A 1 13 ? 28.040 -6.977 18.342 1.00 18.09 ? 354 GLU A N 1 ATOM 98 C CA . GLU A 1 13 ? 28.354 -5.575 18.574 1.00 18.05 ? 354 GLU A CA 1 ATOM 99 C C . GLU A 1 13 ? 29.637 -5.438 19.380 1.00 18.41 ? 354 GLU A C 1 ATOM 100 O O . GLU A 1 13 ? 30.426 -4.532 19.131 1.00 18.32 ? 354 GLU A O 1 ATOM 101 C CB . GLU A 1 13 ? 27.207 -4.860 19.284 1.00 17.81 ? 354 GLU A CB 1 ATOM 102 C CG . GLU A 1 13 ? 26.014 -4.584 18.384 1.00 17.00 ? 354 GLU A CG 1 ATOM 103 C CD . GLU A 1 13 ? 25.203 -3.384 18.828 1.00 16.22 ? 354 GLU A CD 1 ATOM 104 O OE1 . GLU A 1 13 ? 25.400 -2.910 19.967 1.00 15.94 ? 354 GLU A OE1 1 ATOM 105 O OE2 . GLU A 1 13 ? 24.366 -2.912 18.029 1.00 15.61 ? 354 GLU A OE2 1 ATOM 106 N N . GLN A 1 14 ? 29.838 -6.339 20.341 1.00 19.01 ? 355 GLN A N 1 ATOM 107 C CA . GLN A 1 14 ? 31.068 -6.357 21.132 1.00 19.74 ? 355 GLN A CA 1 ATOM 108 C C . GLN A 1 14 ? 32.291 -6.518 20.230 1.00 19.97 ? 355 GLN A C 1 ATOM 109 O O . GLN A 1 14 ? 33.271 -5.786 20.368 1.00 19.78 ? 355 GLN A O 1 ATOM 110 C CB . GLN A 1 14 ? 31.022 -7.470 22.180 1.00 19.95 ? 355 GLN A CB 1 ATOM 111 C CG . GLN A 1 14 ? 32.251 -7.528 23.080 1.00 21.58 ? 355 GLN A CG 1 ATOM 112 C CD . GLN A 1 14 ? 32.201 -8.673 24.074 1.00 23.73 ? 355 GLN A CD 1 ATOM 113 O OE1 . GLN A 1 14 ? 31.606 -9.721 23.809 1.00 25.71 ? 355 GLN A OE1 1 ATOM 114 N NE2 . GLN A 1 14 ? 32.837 -8.483 25.224 1.00 24.92 ? 355 GLN A NE2 1 ATOM 115 N N . LYS A 1 15 ? 32.213 -7.470 19.303 1.00 20.26 ? 356 LYS A N 1 ATOM 116 C CA . LYS A 1 15 ? 33.287 -7.722 18.346 1.00 20.67 ? 356 LYS A CA 1 ATOM 117 C C . LYS A 1 15 ? 33.593 -6.484 17.497 1.00 20.47 ? 356 LYS A C 1 ATOM 118 O O . LYS A 1 15 ? 34.761 -6.132 17.324 1.00 20.54 ? 356 LYS A O 1 ATOM 119 C CB . LYS A 1 15 ? 32.936 -8.936 17.479 1.00 20.99 ? 356 LYS A CB 1 ATOM 120 C CG . LYS A 1 15 ? 33.927 -9.285 16.381 1.00 22.68 ? 356 LYS A CG 1 ATOM 121 C CD . LYS A 1 15 ? 33.656 -10.702 15.877 1.00 25.49 ? 356 LYS A CD 1 ATOM 122 C CE . LYS A 1 15 ? 34.038 -10.884 14.413 1.00 27.17 ? 356 LYS A CE 1 ATOM 123 N NZ . LYS A 1 15 ? 35.490 -10.655 14.154 1.00 28.67 ? 356 LYS A NZ 1 ATOM 124 N N . LYS A 1 16 ? 32.554 -5.820 16.988 1.00 20.20 ? 357 LYS A N 1 ATOM 125 C CA . LYS A 1 16 ? 32.751 -4.601 16.198 1.00 20.07 ? 357 LYS A CA 1 ATOM 126 C C . LYS A 1 16 ? 33.324 -3.479 17.058 1.00 20.16 ? 357 LYS A C 1 ATOM 127 O O . LYS A 1 16 ? 34.215 -2.746 16.619 1.00 20.02 ? 357 LYS A O 1 ATOM 128 C CB . LYS A 1 16 ? 31.455 -4.145 15.522 1.00 20.06 ? 357 LYS A CB 1 ATOM 129 C CG . LYS A 1 16 ? 31.620 -2.865 14.708 1.00 19.37 ? 357 LYS A CG 1 ATOM 130 C CD . LYS A 1 16 ? 30.379 -2.539 13.911 1.00 18.89 ? 357 LYS A CD 1 ATOM 131 C CE . LYS A 1 16 ? 30.474 -1.148 13.308 1.00 18.48 ? 357 LYS A CE 1 ATOM 132 N NZ . LYS A 1 16 ? 29.268 -0.848 12.486 1.00 18.24 ? 357 LYS A NZ 1 ATOM 133 N N . CYS A 1 17 ? 32.812 -3.355 18.280 1.00 20.27 ? 358 CYS A N 1 ATOM 134 C CA . CYS A 1 17 ? 33.320 -2.363 19.217 1.00 20.74 ? 358 CYS A CA 1 ATOM 135 C C . CYS A 1 17 ? 34.811 -2.563 19.489 1.00 21.22 ? 358 CYS A C 1 ATOM 136 O O . CYS A 1 17 ? 35.567 -1.593 19.505 1.00 21.21 ? 358 CYS A O 1 ATOM 137 C CB . CYS A 1 17 ? 32.526 -2.369 20.524 1.00 20.75 ? 358 CYS A CB 1 ATOM 138 S SG . CYS A 1 17 ? 32.978 -1.007 21.611 1.00 20.70 ? 358 CYS A SG 1 ATOM 139 N N . GLN A 1 18 ? 35.229 -3.812 19.692 1.00 21.89 ? 359 GLN A N 1 ATOM 140 C CA . GLN A 1 18 ? 36.640 -4.122 19.953 1.00 22.73 ? 359 GLN A CA 1 ATOM 141 C C . GLN A 1 18 ? 37.542 -3.717 18.789 1.00 23.02 ? 359 GLN A C 1 ATOM 142 O O . GLN A 1 18 ? 38.659 -3.238 19.001 1.00 23.11 ? 359 GLN A O 1 ATOM 143 C CB . GLN A 1 18 ? 36.822 -5.604 20.285 1.00 22.90 ? 359 GLN A CB 1 ATOM 144 C CG . GLN A 1 18 ? 36.345 -5.979 21.683 1.00 24.39 ? 359 GLN A CG 1 ATOM 145 C CD . GLN A 1 18 ? 36.233 -7.478 21.903 1.00 26.05 ? 359 GLN A CD 1 ATOM 146 O OE1 . GLN A 1 18 ? 36.116 -7.935 23.039 1.00 27.79 ? 359 GLN A OE1 1 ATOM 147 N NE2 . GLN A 1 18 ? 36.259 -8.249 20.820 1.00 27.16 ? 359 GLN A NE2 1 ATOM 148 N N . GLN A 1 19 ? 37.044 -3.908 17.568 1.00 23.53 ? 360 GLN A N 1 ATOM 149 C CA . GLN A 1 19 ? 37.744 -3.497 16.350 1.00 24.16 ? 360 GLN A CA 1 ATOM 150 C C . GLN A 1 19 ? 37.895 -1.977 16.288 1.00 24.19 ? 360 GLN A C 1 ATOM 151 O O . GLN A 1 19 ? 38.971 -1.464 15.977 1.00 24.22 ? 360 GLN A O 1 ATOM 152 C CB . GLN A 1 19 ? 37.010 -4.014 15.109 1.00 24.43 ? 360 GLN A CB 1 ATOM 153 C CG . GLN A 1 19 ? 37.085 -5.528 14.935 1.00 25.92 ? 360 GLN A CG 1 ATOM 154 C CD . GLN A 1 19 ? 36.153 -6.068 13.859 1.00 28.08 ? 360 GLN A CD 1 ATOM 155 O OE1 . GLN A 1 19 ? 35.246 -5.377 13.388 1.00 29.72 ? 360 GLN A OE1 1 ATOM 156 N NE2 . GLN A 1 19 ? 36.372 -7.320 13.470 1.00 28.97 ? 360 GLN A NE2 1 ATOM 157 N N . TRP A 1 20 ? 36.808 -1.273 16.596 1.00 24.31 ? 361 TRP A N 1 ATOM 158 C CA . TRP A 1 20 ? 36.797 0.184 16.690 1.00 24.45 ? 361 TRP A CA 1 ATOM 159 C C . TRP A 1 20 ? 37.783 0.659 17.752 1.00 25.08 ? 361 TRP A C 1 ATOM 160 O O . TRP A 1 20 ? 38.552 1.592 17.519 1.00 25.06 ? 361 TRP A O 1 ATOM 161 C CB . TRP A 1 20 ? 35.381 0.648 17.028 1.00 23.98 ? 361 TRP A CB 1 ATOM 162 C CG . TRP A 1 20 ? 35.149 2.134 17.133 1.00 22.70 ? 361 TRP A CG 1 ATOM 163 C CD1 . TRP A 1 20 ? 35.948 3.148 16.672 1.00 21.84 ? 361 TRP A CD1 1 ATOM 164 C CD2 . TRP A 1 20 ? 34.002 2.760 17.709 1.00 21.61 ? 361 TRP A CD2 1 ATOM 165 N NE1 . TRP A 1 20 ? 35.373 4.367 16.950 1.00 21.20 ? 361 TRP A NE1 1 ATOM 166 C CE2 . TRP A 1 20 ? 34.174 4.157 17.581 1.00 21.06 ? 361 TRP A CE2 1 ATOM 167 C CE3 . TRP A 1 20 ? 32.840 2.274 18.325 1.00 20.98 ? 361 TRP A CE3 1 ATOM 168 C CZ2 . TRP A 1 20 ? 33.228 5.074 18.052 1.00 21.00 ? 361 TRP A CZ2 1 ATOM 169 C CZ3 . TRP A 1 20 ? 31.900 3.185 18.793 1.00 20.87 ? 361 TRP A CZ3 1 ATOM 170 C CH2 . TRP A 1 20 ? 32.101 4.570 18.655 1.00 21.01 ? 361 TRP A CH2 1 ATOM 171 N N . SER A 1 21 ? 37.754 -0.002 18.909 1.00 25.80 ? 362 SER A N 1 ATOM 172 C CA . SER A 1 21 ? 38.638 0.321 20.026 1.00 26.82 ? 362 SER A CA 1 ATOM 173 C C . SER A 1 21 ? 40.107 0.199 19.633 1.00 27.55 ? 362 SER A C 1 ATOM 174 O O . SER A 1 21 ? 40.901 1.105 19.899 1.00 27.74 ? 362 SER A O 1 ATOM 175 C CB . SER A 1 21 ? 38.334 -0.577 21.229 1.00 26.72 ? 362 SER A CB 1 ATOM 176 O OG . SER A 1 21 ? 39.140 -0.225 22.342 1.00 26.68 ? 362 SER A OG 1 ATOM 177 N N . GLN A 1 22 ? 40.453 -0.920 18.997 1.00 28.45 ? 363 GLN A N 1 ATOM 178 C CA . GLN A 1 22 ? 41.809 -1.158 18.505 1.00 29.45 ? 363 GLN A CA 1 ATOM 179 C C . GLN A 1 22 ? 42.252 -0.074 17.527 1.00 29.69 ? 363 GLN A C 1 ATOM 180 O O . GLN A 1 22 ? 43.329 0.507 17.680 1.00 29.72 ? 363 GLN A O 1 ATOM 181 C CB . GLN A 1 22 ? 41.911 -2.534 17.839 1.00 29.66 ? 363 GLN A CB 1 ATOM 182 C CG . GLN A 1 22 ? 43.260 -2.794 17.172 1.00 31.14 ? 363 GLN A CG 1 ATOM 183 C CD . GLN A 1 22 ? 43.412 -4.208 16.651 1.00 32.91 ? 363 GLN A CD 1 ATOM 184 O OE1 . GLN A 1 22 ? 42.476 -4.791 16.099 1.00 34.33 ? 363 GLN A OE1 1 ATOM 185 N NE2 . GLN A 1 22 ? 44.604 -4.769 16.816 1.00 33.74 ? 363 GLN A NE2 1 ATOM 186 N N . GLN A 1 23 ? 41.408 0.196 16.534 1.00 30.04 ? 364 GLN A N 1 ATOM 187 C CA . GLN A 1 23 ? 41.718 1.156 15.477 1.00 30.44 ? 364 GLN A CA 1 ATOM 188 C C . GLN A 1 23 ? 41.773 2.600 15.972 1.00 30.47 ? 364 GLN A C 1 ATOM 189 O O . GLN A 1 23 ? 42.452 3.438 15.373 1.00 30.55 ? 364 GLN A O 1 ATOM 190 C CB . GLN A 1 23 ? 40.731 1.014 14.312 1.00 30.53 ? 364 GLN A CB 1 ATOM 191 C CG . GLN A 1 23 ? 40.880 -0.292 13.531 1.00 31.32 ? 364 GLN A CG 1 ATOM 192 C CD . GLN A 1 23 ? 42.280 -0.489 12.973 1.00 32.31 ? 364 GLN A CD 1 ATOM 193 O OE1 . GLN A 1 23 ? 42.837 0.401 12.330 1.00 33.27 ? 364 GLN A OE1 1 ATOM 194 N NE2 . GLN A 1 23 ? 42.856 -1.659 13.222 1.00 32.75 ? 364 GLN A NE2 1 ATOM 195 N N . SER A 1 24 ? 41.067 2.880 17.067 1.00 30.54 ? 365 SER A N 1 ATOM 196 C CA . SER A 1 24 ? 41.037 4.217 17.663 1.00 30.61 ? 365 SER A CA 1 ATOM 197 C C . SER A 1 24 ? 42.177 4.459 18.655 1.00 30.78 ? 365 SER A C 1 ATOM 198 O O . SER A 1 24 ? 42.283 5.547 19.228 1.00 30.84 ? 365 SER A O 1 ATOM 199 C CB . SER A 1 24 ? 39.696 4.468 18.358 1.00 30.54 ? 365 SER A CB 1 ATOM 200 O OG . SER A 1 24 ? 39.615 3.749 19.580 1.00 30.23 ? 365 SER A OG 1 ATOM 201 N N . GLY A 1 25 ? 43.021 3.448 18.857 1.00 31.02 ? 366 GLY A N 1 ATOM 202 C CA . GLY A 1 25 ? 44.111 3.530 19.828 1.00 31.28 ? 366 GLY A CA 1 ATOM 203 C C . GLY A 1 25 ? 43.594 3.692 21.245 1.00 31.47 ? 366 GLY A C 1 ATOM 204 O O . GLY A 1 25 ? 44.180 4.421 22.049 1.00 31.46 ? 366 GLY A O 1 ATOM 205 N N . GLN A 1 26 ? 42.485 3.009 21.534 1.00 31.52 ? 367 GLN A N 1 ATOM 206 C CA . GLN A 1 26 ? 41.830 3.015 22.849 1.00 31.58 ? 367 GLN A CA 1 ATOM 207 C C . GLN A 1 26 ? 41.328 4.404 23.240 1.00 31.15 ? 367 GLN A C 1 ATOM 208 O O . GLN A 1 26 ? 41.245 4.712 24.426 1.00 31.15 ? 367 GLN A O 1 ATOM 209 C CB . GLN A 1 26 ? 42.780 2.555 23.971 1.00 31.85 ? 367 GLN A CB 1 ATOM 210 C CG . GLN A 1 26 ? 43.752 1.447 23.589 1.00 33.06 ? 367 GLN A CG 1 ATOM 211 C CD . GLN A 1 26 ? 43.078 0.104 23.439 1.00 34.55 ? 367 GLN A CD 1 ATOM 212 O OE1 . GLN A 1 26 ? 42.813 -0.348 22.324 1.00 35.46 ? 367 GLN A OE1 1 ATOM 213 N NE2 . GLN A 1 26 ? 42.794 -0.547 24.562 1.00 35.34 ? 367 GLN A NE2 1 ATOM 214 N N . ASN A 1 27 ? 40.998 5.240 22.259 1.00 30.66 ? 368 ASN A N 1 ATOM 215 C CA . ASN A 1 27 ? 40.228 6.460 22.502 1.00 30.19 ? 368 ASN A CA 1 ATOM 216 C C . ASN A 1 27 ? 38.774 6.115 22.776 1.00 28.99 ? 368 ASN A C 1 ATOM 217 O O . ASN A 1 27 ? 38.066 6.839 23.479 1.00 28.81 ? 368 ASN A O 1 ATOM 218 C CB . ASN A 1 27 ? 40.330 7.415 21.322 1.00 30.79 ? 368 ASN A CB 1 ATOM 219 C CG . ASN A 1 27 ? 41.612 8.213 21.332 1.00 33.37 ? 368 ASN A CG 1 ATOM 220 O OD1 . ASN A 1 27 ? 42.361 8.215 22.314 1.00 33.95 ? 368 ASN A OD1 1 ATOM 221 N ND2 . ASN A 1 27 ? 41.873 8.901 20.232 1.00 37.34 ? 368 ASN A ND2 1 ATOM 222 N N . VAL A 1 28 ? 38.347 5.002 22.189 1.00 27.65 ? 369 VAL A N 1 ATOM 223 C CA . VAL A 1 28 ? 37.079 4.372 22.503 1.00 26.34 ? 369 VAL A CA 1 ATOM 224 C C . VAL A 1 28 ? 37.405 2.998 23.075 1.00 25.42 ? 369 VAL A C 1 ATOM 225 O O . VAL A 1 28 ? 38.270 2.294 22.556 1.00 25.28 ? 369 VAL A O 1 ATOM 226 C CB . VAL A 1 28 ? 36.185 4.233 21.244 1.00 26.39 ? 369 VAL A CB 1 ATOM 227 C CG1 . VAL A 1 28 ? 34.892 3.485 21.562 1.00 26.22 ? 369 VAL A CG1 1 ATOM 228 C CG2 . VAL A 1 28 ? 35.873 5.603 20.656 1.00 26.43 ? 369 VAL A CG2 1 ATOM 229 N N . THR A 1 29 ? 36.743 2.642 24.170 1.00 24.35 ? 370 THR A N 1 ATOM 230 C CA . THR A 1 29 ? 36.807 1.285 24.700 1.00 23.33 ? 370 THR A CA 1 ATOM 231 C C . THR A 1 29 ? 35.384 0.759 24.830 1.00 22.60 ? 370 THR A C 1 ATOM 232 O O . THR A 1 29 ? 34.425 1.483 24.553 1.00 22.30 ? 370 THR A O 1 ATOM 233 C CB . THR A 1 29 ? 37.549 1.213 26.046 1.00 23.39 ? 370 THR A CB 1 ATOM 234 O OG1 . THR A 1 29 ? 36.944 2.117 26.976 1.00 23.43 ? 370 THR A OG1 1 ATOM 235 C CG2 . THR A 1 29 ? 39.025 1.559 25.870 1.00 23.15 ? 370 THR A CG2 1 ATOM 236 N N . CYS A 1 30 ? 35.247 -0.496 25.249 1.00 21.86 ? 371 CYS A N 1 ATOM 237 C CA . CYS A 1 30 ? 33.973 -1.193 25.138 1.00 21.21 ? 371 CYS A CA 1 ATOM 238 C C . CYS A 1 30 ? 33.497 -1.816 26.437 1.00 20.59 ? 371 CYS A C 1 ATOM 239 O O . CYS A 1 30 ? 34.255 -2.496 27.130 1.00 20.98 ? 371 CYS A O 1 ATOM 240 C CB . CYS A 1 30 ? 34.079 -2.280 24.072 1.00 21.20 ? 371 CYS A CB 1 ATOM 241 S SG . CYS A 1 30 ? 34.674 -1.662 22.511 1.00 21.99 ? 371 CYS A SG 1 ATOM 242 N N . ALA A 1 31 ? 32.240 -1.555 26.765 1.00 19.61 ? 372 ALA A N 1 ATOM 243 C CA . ALA A 1 31 ? 31.514 -2.342 27.739 1.00 18.84 ? 372 ALA A CA 1 ATOM 244 C C . ALA A 1 31 ? 30.499 -3.129 26.925 1.00 18.53 ? 372 ALA A C 1 ATOM 245 O O . ALA A 1 31 ? 30.082 -2.678 25.856 1.00 18.25 ? 372 ALA A O 1 ATOM 246 C CB . ALA A 1 31 ? 30.819 -1.442 28.743 1.00 18.82 ? 372 ALA A CB 1 ATOM 247 N N . THR A 1 32 ? 30.111 -4.305 27.404 1.00 18.10 ? 373 THR A N 1 ATOM 248 C CA . THR A 1 32 ? 29.101 -5.096 26.700 1.00 17.95 ? 373 THR A CA 1 ATOM 249 C C . THR A 1 32 ? 28.018 -5.555 27.665 1.00 17.63 ? 373 THR A C 1 ATOM 250 O O . THR A 1 32 ? 28.309 -5.918 28.805 1.00 17.82 ? 373 THR A O 1 ATOM 251 C CB . THR A 1 32 ? 29.715 -6.320 25.973 1.00 18.05 ? 373 THR A CB 1 ATOM 252 O OG1 . THR A 1 32 ? 30.821 -5.898 25.171 1.00 19.43 ? 373 THR A OG1 1 ATOM 253 C CG2 . THR A 1 32 ? 28.686 -6.989 25.068 1.00 17.60 ? 373 THR A CG2 1 ATOM 254 N N . ALA A 1 33 ? 26.772 -5.515 27.202 1.00 17.14 ? 374 ALA A N 1 ATOM 255 C CA . ALA A 1 33 ? 25.636 -6.048 27.949 1.00 16.77 ? 374 ALA A CA 1 ATOM 256 C C . ALA A 1 33 ? 24.764 -6.870 27.000 1.00 16.53 ? 374 ALA A C 1 ATOM 257 O O . ALA A 1 33 ? 24.915 -6.771 25.782 1.00 16.46 ? 374 ALA A O 1 ATOM 258 C CB . ALA A 1 33 ? 24.840 -4.921 28.577 1.00 16.86 ? 374 ALA A CB 1 ATOM 259 N N . SER A 1 34 ? 23.857 -7.674 27.549 1.00 16.15 ? 375 SER A N 1 ATOM 260 C CA . SER A 1 34 ? 23.044 -8.578 26.727 1.00 16.19 ? 375 SER A CA 1 ATOM 261 C C . SER A 1 34 ? 21.849 -7.897 26.071 1.00 15.68 ? 375 SER A C 1 ATOM 262 O O . SER A 1 34 ? 21.339 -8.371 25.054 1.00 15.70 ? 375 SER A O 1 ATOM 263 C CB . SER A 1 34 ? 22.581 -9.779 27.549 1.00 16.30 ? 375 SER A CB 1 ATOM 264 O OG . SER A 1 34 ? 23.699 -10.548 27.949 1.00 18.19 ? 375 SER A OG 1 ATOM 265 N N . THR A 1 35 ? 21.399 -6.792 26.658 1.00 15.23 ? 376 THR A N 1 ATOM 266 C CA . THR A 1 35 ? 20.242 -6.072 26.138 1.00 14.84 ? 376 THR A CA 1 ATOM 267 C C . THR A 1 35 ? 20.511 -4.578 26.123 1.00 14.63 ? 376 THR A C 1 ATOM 268 O O . THR A 1 35 ? 21.426 -4.090 26.790 1.00 14.30 ? 376 THR A O 1 ATOM 269 C CB . THR A 1 35 ? 18.968 -6.314 26.978 1.00 14.85 ? 376 THR A CB 1 ATOM 270 O OG1 . THR A 1 35 ? 19.108 -5.685 28.259 1.00 15.40 ? 376 THR A OG1 1 ATOM 271 C CG2 . THR A 1 35 ? 18.691 -7.809 27.164 1.00 15.03 ? 376 THR A CG2 1 ATOM 272 N N . THR A 1 36 ? 19.694 -3.857 25.364 1.00 14.37 ? 377 THR A N 1 ATOM 273 C CA . THR A 1 36 ? 19.778 -2.407 25.333 1.00 14.41 ? 377 THR A CA 1 ATOM 274 C C . THR A 1 36 ? 19.465 -1.800 26.705 1.00 14.55 ? 377 THR A C 1 ATOM 275 O O . THR A 1 36 ? 20.177 -0.899 27.163 1.00 14.50 ? 377 THR A O 1 ATOM 276 C CB . THR A 1 36 ? 18.879 -1.834 24.231 1.00 14.21 ? 377 THR A CB 1 ATOM 277 O OG1 . THR A 1 36 ? 19.295 -2.382 22.974 1.00 14.06 ? 377 THR A OG1 1 ATOM 278 C CG2 . THR A 1 36 ? 19.001 -0.328 24.175 1.00 14.31 ? 377 THR A CG2 1 ATOM 279 N N . ASP A 1 37 ? 18.431 -2.310 27.371 1.00 14.77 ? 378 ASP A N 1 ATOM 280 C CA . ASP A 1 37 ? 18.111 -1.857 28.724 1.00 15.23 ? 378 ASP A CA 1 ATOM 281 C C . ASP A 1 37 ? 19.285 -2.021 29.694 1.00 15.14 ? 378 ASP A C 1 ATOM 282 O O . ASP A 1 37 ? 19.545 -1.131 30.502 1.00 15.07 ? 378 ASP A O 1 ATOM 283 C CB . ASP A 1 37 ? 16.856 -2.551 29.259 1.00 15.53 ? 378 ASP A CB 1 ATOM 284 C CG . ASP A 1 37 ? 15.573 -1.985 28.668 1.00 16.82 ? 378 ASP A CG 1 ATOM 285 O OD1 . ASP A 1 37 ? 15.609 -0.896 28.053 1.00 18.56 ? 378 ASP A OD1 1 ATOM 286 O OD2 . ASP A 1 37 ? 14.518 -2.633 28.827 1.00 17.79 ? 378 ASP A OD2 1 ATOM 287 N N . ASP A 1 38 ? 19.997 -3.144 29.606 1.00 15.16 ? 379 ASP A N 1 ATOM 288 C CA . ASP A 1 38 ? 21.189 -3.345 30.435 1.00 15.23 ? 379 ASP A CA 1 ATOM 289 C C . ASP A 1 38 ? 22.298 -2.343 30.127 1.00 14.85 ? 379 ASP A C 1 ATOM 290 O O . ASP A 1 38 ? 22.976 -1.868 31.042 1.00 14.64 ? 379 ASP A O 1 ATOM 291 C CB . ASP A 1 38 ? 21.717 -4.775 30.308 1.00 15.52 ? 379 ASP A CB 1 ATOM 292 C CG . ASP A 1 38 ? 20.888 -5.777 31.086 1.00 16.88 ? 379 ASP A CG 1 ATOM 293 O OD1 . ASP A 1 38 ? 19.903 -5.383 31.743 1.00 18.16 ? 379 ASP A OD1 1 ATOM 294 O OD2 . ASP A 1 38 ? 21.236 -6.971 31.046 1.00 19.15 ? 379 ASP A OD2 1 ATOM 295 N N . CYS A 1 39 ? 22.484 -2.023 28.847 1.00 14.22 ? 380 CYS A N 1 ATOM 296 C CA . CYS A 1 39 ? 23.434 -0.987 28.456 1.00 14.28 ? 380 CYS A CA 1 ATOM 297 C C . CYS A 1 39 ? 23.050 0.375 29.029 1.00 13.96 ? 380 CYS A C 1 ATOM 298 O O . CYS A 1 39 ? 23.918 1.112 29.500 1.00 14.04 ? 380 CYS A O 1 ATOM 299 C CB . CYS A 1 39 ? 23.585 -0.908 26.936 1.00 14.01 ? 380 CYS A CB 1 ATOM 300 S SG . CYS A 1 39 ? 24.963 -1.861 26.257 1.00 14.75 ? 380 CYS A SG 1 ATOM 301 N N . ILE A 1 40 ? 21.758 0.699 29.003 1.00 13.94 ? 381 ILE A N 1 ATOM 302 C CA . ILE A 1 40 ? 21.269 1.955 29.581 1.00 14.25 ? 381 ILE A CA 1 ATOM 303 C C . ILE A 1 40 ? 21.617 2.029 31.071 1.00 14.32 ? 381 ILE A C 1 ATOM 304 O O . ILE A 1 40 ? 22.059 3.072 31.562 1.00 14.43 ? 381 ILE A O 1 ATOM 305 C CB . ILE A 1 40 ? 19.753 2.154 29.333 1.00 14.37 ? 381 ILE A CB 1 ATOM 306 C CG1 . ILE A 1 40 ? 19.506 2.447 27.849 1.00 14.55 ? 381 ILE A CG1 1 ATOM 307 C CG2 . ILE A 1 40 ? 19.188 3.285 30.208 1.00 14.20 ? 381 ILE A CG2 1 ATOM 308 C CD1 . ILE A 1 40 ? 18.051 2.346 27.418 1.00 15.04 ? 381 ILE A CD1 1 ATOM 309 N N . VAL A 1 41 ? 21.442 0.910 31.771 1.00 14.08 ? 382 VAL A N 1 ATOM 310 C CA . VAL A 1 41 ? 21.818 0.809 33.182 1.00 14.12 ? 382 VAL A CA 1 ATOM 311 C C . VAL A 1 41 ? 23.326 1.016 33.380 1.00 13.94 ? 382 VAL A C 1 ATOM 312 O O . VAL A 1 41 ? 23.728 1.742 34.290 1.00 13.80 ? 382 VAL A O 1 ATOM 313 C CB . VAL A 1 41 ? 21.324 -0.523 33.820 1.00 14.05 ? 382 VAL A CB 1 ATOM 314 C CG1 . VAL A 1 41 ? 21.951 -0.749 35.196 1.00 14.13 ? 382 VAL A CG1 1 ATOM 315 C CG2 . VAL A 1 41 ? 19.805 -0.522 33.931 1.00 14.42 ? 382 VAL A CG2 1 ATOM 316 N N . LEU A 1 42 ? 24.153 0.415 32.521 1.00 13.96 ? 383 LEU A N 1 ATOM 317 C CA . LEU A 1 42 ? 25.605 0.618 32.612 1.00 14.12 ? 383 LEU A CA 1 ATOM 318 C C . LEU A 1 42 ? 25.963 2.089 32.458 1.00 14.26 ? 383 LEU A C 1 ATOM 319 O O . LEU A 1 42 ? 26.821 2.608 33.178 1.00 14.38 ? 383 LEU A O 1 ATOM 320 C CB . LEU A 1 42 ? 26.367 -0.219 31.580 1.00 14.27 ? 383 LEU A CB 1 ATOM 321 C CG . LEU A 1 42 ? 26.388 -1.741 31.771 1.00 14.16 ? 383 LEU A CG 1 ATOM 322 C CD1 . LEU A 1 42 ? 27.327 -2.377 30.761 1.00 14.45 ? 383 LEU A CD1 1 ATOM 323 C CD2 . LEU A 1 42 ? 26.790 -2.153 33.188 1.00 14.97 ? 383 LEU A CD2 1 ATOM 324 N N . VAL A 1 43 ? 25.297 2.759 31.522 1.00 14.32 ? 384 VAL A N 1 ATOM 325 C CA . VAL A 1 43 ? 25.522 4.187 31.324 1.00 14.56 ? 384 VAL A CA 1 ATOM 326 C C . VAL A 1 43 ? 25.072 4.979 32.556 1.00 14.73 ? 384 VAL A C 1 ATOM 327 O O . VAL A 1 43 ? 25.803 5.850 33.031 1.00 14.68 ? 384 VAL A O 1 ATOM 328 C CB . VAL A 1 43 ? 24.864 4.717 30.024 1.00 14.45 ? 384 VAL A CB 1 ATOM 329 C CG1 . VAL A 1 43 ? 25.007 6.234 29.932 1.00 14.70 ? 384 VAL A CG1 1 ATOM 330 C CG2 . VAL A 1 43 ? 25.502 4.071 28.803 1.00 14.37 ? 384 VAL A CG2 1 ATOM 331 N N . LEU A 1 44 ? 23.893 4.657 33.085 1.00 15.15 ? 385 LEU A N 1 ATOM 332 C CA . LEU A 1 44 ? 23.391 5.302 34.301 1.00 15.58 ? 385 LEU A CA 1 ATOM 333 C C . LEU A 1 44 ? 24.352 5.154 35.477 1.00 15.72 ? 385 LEU A C 1 ATOM 334 O O . LEU A 1 44 ? 24.517 6.084 36.267 1.00 15.72 ? 385 LEU A O 1 ATOM 335 C CB . LEU A 1 44 ? 22.009 4.760 34.675 1.00 15.67 ? 385 LEU A CB 1 ATOM 336 C CG . LEU A 1 44 ? 20.858 5.191 33.764 1.00 16.57 ? 385 LEU A CG 1 ATOM 337 C CD1 . LEU A 1 44 ? 19.634 4.334 34.022 1.00 17.35 ? 385 LEU A CD1 1 ATOM 338 C CD2 . LEU A 1 44 ? 20.539 6.673 33.942 1.00 17.11 ? 385 LEU A CD2 1 ATOM 339 N N . LYS A 1 45 ? 24.997 3.994 35.573 1.00 15.87 ? 386 LYS A N 1 ATOM 340 C CA . LYS A 1 45 ? 25.958 3.729 36.647 1.00 15.87 ? 386 LYS A CA 1 ATOM 341 C C . LYS A 1 45 ? 27.305 4.418 36.438 1.00 16.01 ? 386 LYS A C 1 ATOM 342 O O . LYS A 1 45 ? 28.101 4.523 37.374 1.00 16.30 ? 386 LYS A O 1 ATOM 343 C CB . LYS A 1 45 ? 26.186 2.223 36.808 1.00 15.80 ? 386 LYS A CB 1 ATOM 344 C CG . LYS A 1 45 ? 24.996 1.456 37.357 1.00 15.74 ? 386 LYS A CG 1 ATOM 345 C CD . LYS A 1 45 ? 25.401 0.058 37.810 1.00 15.30 ? 386 LYS A CD 1 ATOM 346 C CE . LYS A 1 45 ? 25.678 -0.876 36.634 1.00 15.04 ? 386 LYS A CE 1 ATOM 347 N NZ . LYS A 1 45 ? 26.253 -2.173 37.110 1.00 15.24 ? 386 LYS A NZ 1 ATOM 348 N N . GLY A 1 46 ? 27.560 4.877 35.214 1.00 16.00 ? 387 GLY A N 1 ATOM 349 C CA . GLY A 1 46 ? 28.845 5.467 34.852 1.00 16.26 ? 387 GLY A CA 1 ATOM 350 C C . GLY A 1 46 ? 29.882 4.442 34.431 1.00 16.38 ? 387 GLY A C 1 ATOM 351 O O . GLY A 1 46 ? 31.071 4.757 34.323 1.00 16.79 ? 387 GLY A O 1 ATOM 352 N N . GLU A 1 47 ? 29.433 3.214 34.185 1.00 16.47 ? 388 GLU A N 1 ATOM 353 C CA . GLU A 1 47 ? 30.331 2.129 33.796 1.00 16.50 ? 388 GLU A CA 1 ATOM 354 C C . GLU A 1 47 ? 30.473 2.034 32.275 1.00 16.60 ? 388 GLU A C 1 ATOM 355 O O . GLU A 1 47 ? 31.337 1.321 31.754 1.00 16.91 ? 388 GLU A O 1 ATOM 356 C CB . GLU A 1 47 ? 29.869 0.813 34.425 1.00 16.50 ? 388 GLU A CB 1 ATOM 357 C CG . GLU A 1 47 ? 30.036 0.800 35.944 1.00 16.33 ? 388 GLU A CG 1 ATOM 358 C CD . GLU A 1 47 ? 29.268 -0.314 36.614 1.00 15.89 ? 388 GLU A CD 1 ATOM 359 O OE1 . GLU A 1 47 ? 28.807 -0.117 37.761 1.00 15.41 ? 388 GLU A OE1 1 ATOM 360 O OE2 . GLU A 1 47 ? 29.118 -1.388 35.989 1.00 16.48 ? 388 GLU A OE2 1 ATOM 361 N N . ALA A 1 48 ? 29.610 2.764 31.577 1.00 16.26 ? 389 ALA A N 1 ATOM 362 C CA . ALA A 1 48 ? 29.778 3.046 30.161 1.00 15.95 ? 389 ALA A CA 1 ATOM 363 C C . ALA A 1 48 ? 29.364 4.498 29.932 1.00 15.70 ? 389 ALA A C 1 ATOM 364 O O . ALA A 1 48 ? 28.667 5.090 30.763 1.00 15.51 ? 389 ALA A O 1 ATOM 365 C CB . ALA A 1 48 ? 28.940 2.095 29.316 1.00 16.05 ? 389 ALA A CB 1 ATOM 366 N N . ASP A 1 49 ? 29.794 5.070 28.811 1.00 15.51 ? 390 ASP A N 1 ATOM 367 C CA . ASP A 1 49 ? 29.506 6.472 28.509 1.00 15.33 ? 390 ASP A CA 1 ATOM 368 C C . ASP A 1 49 ? 28.315 6.676 27.591 1.00 14.91 ? 390 ASP A C 1 ATOM 369 O O . ASP A 1 49 ? 27.529 7.601 27.799 1.00 14.94 ? 390 ASP A O 1 ATOM 370 C CB . ASP A 1 49 ? 30.723 7.149 27.881 1.00 15.52 ? 390 ASP A CB 1 ATOM 371 C CG . ASP A 1 49 ? 31.810 7.444 28.889 1.00 16.49 ? 390 ASP A CG 1 ATOM 372 O OD1 . ASP A 1 49 ? 31.482 7.843 30.028 1.00 17.58 ? 390 ASP A OD1 1 ATOM 373 O OD2 . ASP A 1 49 ? 32.992 7.276 28.536 1.00 18.26 ? 390 ASP A OD2 1 ATOM 374 N N . ALA A 1 50 ? 28.193 5.826 26.573 1.00 14.45 ? 391 ALA A N 1 ATOM 375 C CA . ALA A 1 50 ? 27.269 6.099 25.478 1.00 14.04 ? 391 ALA A CA 1 ATOM 376 C C . ALA A 1 50 ? 26.932 4.880 24.639 1.00 13.81 ? 391 ALA A C 1 ATOM 377 O O . ALA A 1 50 ? 27.679 3.904 24.606 1.00 13.80 ? 391 ALA A O 1 ATOM 378 C CB . ALA A 1 50 ? 27.840 7.197 24.581 1.00 14.03 ? 391 ALA A CB 1 ATOM 379 N N . LEU A 1 51 ? 25.789 4.959 23.969 1.00 13.73 ? 392 LEU A N 1 ATOM 380 C CA . LEU A 1 51 ? 25.438 4.044 22.895 1.00 13.69 ? 392 LEU A CA 1 ATOM 381 C C . LEU A 1 51 ? 24.382 4.706 22.023 1.00 13.94 ? 392 LEU A C 1 ATOM 382 O O . LEU A 1 51 ? 23.746 5.684 22.427 1.00 13.70 ? 392 LEU A O 1 ATOM 383 C CB . LEU A 1 51 ? 24.947 2.693 23.429 1.00 13.47 ? 392 LEU A CB 1 ATOM 384 C CG . LEU A 1 51 ? 23.558 2.598 24.062 1.00 13.20 ? 392 LEU A CG 1 ATOM 385 C CD1 . LEU A 1 51 ? 23.127 1.141 24.135 1.00 13.92 ? 392 LEU A CD1 1 ATOM 386 C CD2 . LEU A 1 51 ? 23.510 3.254 25.442 1.00 13.51 ? 392 LEU A CD2 1 ATOM 387 N N . ASN A 1 52 ? 24.218 4.163 20.824 1.00 14.29 ? 393 ASN A N 1 ATOM 388 C CA . ASN A 1 52 ? 23.275 4.668 19.845 1.00 14.91 ? 393 ASN A CA 1 ATOM 389 C C . ASN A 1 52 ? 21.962 3.908 20.026 1.00 14.91 ? 393 ASN A C 1 ATOM 390 O O . ASN A 1 52 ? 21.968 2.682 20.160 1.00 15.64 ? 393 ASN A O 1 ATOM 391 C CB . ASN A 1 52 ? 23.881 4.461 18.454 1.00 15.28 ? 393 ASN A CB 1 ATOM 392 C CG . ASN A 1 52 ? 23.029 5.025 17.341 1.00 16.10 ? 393 ASN A CG 1 ATOM 393 O OD1 . ASN A 1 52 ? 22.661 6.199 17.351 1.00 18.59 ? 393 ASN A OD1 1 ATOM 394 N ND2 . ASN A 1 52 ? 22.734 4.192 16.353 1.00 17.30 ? 393 ASN A ND2 1 ATOM 395 N N . LEU A 1 53 ? 20.846 4.636 20.057 1.00 14.56 ? 394 LEU A N 1 ATOM 396 C CA . LEU A 1 53 ? 19.558 4.074 20.472 1.00 14.16 ? 394 LEU A CA 1 ATOM 397 C C . LEU A 1 53 ? 18.411 4.371 19.525 1.00 13.84 ? 394 LEU A C 1 ATOM 398 O O . LEU A 1 53 ? 18.263 5.496 19.055 1.00 13.53 ? 394 LEU A O 1 ATOM 399 C CB . LEU A 1 53 ? 19.158 4.622 21.847 1.00 14.50 ? 394 LEU A CB 1 ATOM 400 C CG . LEU A 1 53 ? 19.921 4.234 23.111 1.00 14.83 ? 394 LEU A CG 1 ATOM 401 C CD1 . LEU A 1 53 ? 19.212 4.819 24.317 1.00 15.84 ? 394 LEU A CD1 1 ATOM 402 C CD2 . LEU A 1 53 ? 20.003 2.731 23.241 1.00 15.17 ? 394 LEU A CD2 1 ATOM 403 N N . ASP A 1 54 ? 17.573 3.366 19.285 1.00 13.47 ? 395 ASP A N 1 ATOM 404 C CA . ASP A 1 54 ? 16.263 3.603 18.696 1.00 13.09 ? 395 ASP A CA 1 ATOM 405 C C . ASP A 1 54 ? 15.335 4.447 19.589 1.00 13.11 ? 395 ASP A C 1 ATOM 406 O O . ASP A 1 54 ? 15.351 4.313 20.813 1.00 13.23 ? 395 ASP A O 1 ATOM 407 C CB . ASP A 1 54 ? 15.523 2.281 18.508 1.00 13.00 ? 395 ASP A CB 1 ATOM 408 C CG . ASP A 1 54 ? 14.073 2.487 18.158 1.00 12.59 ? 395 ASP A CG 1 ATOM 409 O OD1 . ASP A 1 54 ? 13.794 2.834 16.994 1.00 13.00 ? 395 ASP A OD1 1 ATOM 410 O OD2 . ASP A 1 54 ? 13.222 2.342 19.057 1.00 12.75 ? 395 ASP A OD2 1 ATOM 411 N N . GLY A 1 55 ? 14.523 5.306 18.975 1.00 13.06 ? 396 GLY A N 1 ATOM 412 C CA . GLY A 1 55 ? 13.672 6.250 19.710 1.00 12.97 ? 396 GLY A CA 1 ATOM 413 C C . GLY A 1 55 ? 12.899 5.708 20.906 1.00 13.07 ? 396 GLY A C 1 ATOM 414 O O . GLY A 1 55 ? 12.745 6.401 21.912 1.00 12.72 ? 396 GLY A O 1 ATOM 415 N N . GLY A 1 56 ? 12.399 4.478 20.802 1.00 13.16 ? 397 GLY A N 1 ATOM 416 C CA . GLY A 1 56 ? 11.710 3.845 21.920 1.00 13.68 ? 397 GLY A CA 1 ATOM 417 C C . GLY A 1 56 ? 12.642 3.676 23.105 1.00 14.26 ? 397 GLY A C 1 ATOM 418 O O . GLY A 1 56 ? 12.238 3.855 24.256 1.00 14.19 ? 397 GLY A O 1 ATOM 419 N N . TYR A 1 57 ? 13.896 3.336 22.811 1.00 14.72 ? 398 TYR A N 1 ATOM 420 C CA . TYR A 1 57 ? 14.924 3.208 23.840 1.00 15.34 ? 398 TYR A CA 1 ATOM 421 C C . TYR A 1 57 ? 15.380 4.575 24.359 1.00 15.56 ? 398 TYR A C 1 ATOM 422 O O . TYR A 1 57 ? 15.749 4.700 25.530 1.00 15.80 ? 398 TYR A O 1 ATOM 423 C CB . TYR A 1 57 ? 16.134 2.419 23.325 1.00 15.48 ? 398 TYR A CB 1 ATOM 424 C CG . TYR A 1 57 ? 15.898 0.948 23.000 1.00 15.99 ? 398 TYR A CG 1 ATOM 425 C CD1 . TYR A 1 57 ? 15.132 0.125 23.832 1.00 16.87 ? 398 TYR A CD1 1 ATOM 426 C CD2 . TYR A 1 57 ? 16.495 0.371 21.878 1.00 16.44 ? 398 TYR A CD2 1 ATOM 427 C CE1 . TYR A 1 57 ? 14.940 -1.232 23.528 1.00 17.59 ? 398 TYR A CE1 1 ATOM 428 C CE2 . TYR A 1 57 ? 16.317 -0.980 21.571 1.00 16.13 ? 398 TYR A CE2 1 ATOM 429 C CZ . TYR A 1 57 ? 15.537 -1.773 22.396 1.00 17.66 ? 398 TYR A CZ 1 ATOM 430 O OH . TYR A 1 57 ? 15.365 -3.106 22.085 1.00 18.43 ? 398 TYR A OH 1 ATOM 431 N N . ILE A 1 58 ? 15.360 5.590 23.492 1.00 15.62 ? 399 ILE A N 1 ATOM 432 C CA . ILE A 1 58 ? 15.664 6.965 23.913 1.00 15.80 ? 399 ILE A CA 1 ATOM 433 C C . ILE A 1 58 ? 14.663 7.415 24.976 1.00 16.12 ? 399 ILE A C 1 ATOM 434 O O . ILE A 1 58 ? 15.033 8.090 25.941 1.00 15.92 ? 399 ILE A O 1 ATOM 435 C CB . ILE A 1 58 ? 15.691 7.965 22.721 1.00 15.60 ? 399 ILE A CB 1 ATOM 436 C CG1 . ILE A 1 58 ? 16.897 7.674 21.822 1.00 15.92 ? 399 ILE A CG1 1 ATOM 437 C CG2 . ILE A 1 58 ? 15.734 9.426 23.221 1.00 15.46 ? 399 ILE A CG2 1 ATOM 438 C CD1 . ILE A 1 58 ? 16.916 8.446 20.508 1.00 16.06 ? 399 ILE A CD1 1 ATOM 439 N N . TYR A 1 59 ? 13.403 7.027 24.797 1.00 16.68 ? 400 TYR A N 1 ATOM 440 C CA . TYR A 1 59 ? 12.367 7.283 25.791 1.00 17.44 ? 400 TYR A CA 1 ATOM 441 C C . TYR A 1 59 ? 12.734 6.689 27.154 1.00 17.55 ? 400 TYR A C 1 ATOM 442 O O . TYR A 1 59 ? 12.696 7.392 28.167 1.00 17.61 ? 400 TYR A O 1 ATOM 443 C CB . TYR A 1 59 ? 11.023 6.739 25.304 1.00 17.64 ? 400 TYR A CB 1 ATOM 444 C CG . TYR A 1 59 ? 9.863 6.987 26.241 1.00 19.21 ? 400 TYR A CG 1 ATOM 445 C CD1 . TYR A 1 59 ? 9.058 8.113 26.095 1.00 20.94 ? 400 TYR A CD1 1 ATOM 446 C CD2 . TYR A 1 59 ? 9.564 6.087 27.267 1.00 20.78 ? 400 TYR A CD2 1 ATOM 447 C CE1 . TYR A 1 59 ? 7.985 8.345 26.949 1.00 22.24 ? 400 TYR A CE1 1 ATOM 448 C CE2 . TYR A 1 59 ? 8.495 6.311 28.129 1.00 22.23 ? 400 TYR A CE2 1 ATOM 449 C CZ . TYR A 1 59 ? 7.710 7.441 27.961 1.00 22.71 ? 400 TYR A CZ 1 ATOM 450 O OH . TYR A 1 59 ? 6.649 7.670 28.804 1.00 24.16 ? 400 TYR A OH 1 ATOM 451 N N . THR A 1 60 ? 13.092 5.405 27.172 1.00 17.66 ? 401 THR A N 1 ATOM 452 C CA . THR A 1 60 ? 13.524 4.734 28.402 1.00 17.94 ? 401 THR A CA 1 ATOM 453 C C . THR A 1 60 ? 14.722 5.451 29.020 1.00 17.75 ? 401 THR A C 1 ATOM 454 O O . THR A 1 60 ? 14.716 5.763 30.212 1.00 18.08 ? 401 THR A O 1 ATOM 455 C CB . THR A 1 60 ? 13.885 3.251 28.154 1.00 17.91 ? 401 THR A CB 1 ATOM 456 O OG1 . THR A 1 60 ? 12.771 2.582 27.559 1.00 18.76 ? 401 THR A OG1 1 ATOM 457 C CG2 . THR A 1 60 ? 14.247 2.544 29.463 1.00 18.39 ? 401 THR A CG2 1 ATOM 458 N N . ALA A 1 61 ? 15.738 5.716 28.202 1.00 17.58 ? 402 ALA A N 1 ATOM 459 C CA . ALA A 1 61 ? 16.968 6.346 28.675 1.00 17.62 ? 402 ALA A CA 1 ATOM 460 C C . ALA A 1 61 ? 16.712 7.761 29.194 1.00 17.85 ? 402 ALA A C 1 ATOM 461 O O . ALA A 1 61 ? 17.254 8.158 30.226 1.00 17.43 ? 402 ALA A O 1 ATOM 462 C CB . ALA A 1 61 ? 18.014 6.360 27.573 1.00 17.56 ? 402 ALA A CB 1 ATOM 463 N N . GLY A 1 62 ? 15.868 8.502 28.480 1.00 18.25 ? 403 GLY A N 1 ATOM 464 C CA . GLY A 1 62 ? 15.543 9.882 28.834 1.00 19.21 ? 403 GLY A CA 1 ATOM 465 C C . GLY A 1 62 ? 14.779 10.029 30.136 1.00 20.04 ? 403 GLY A C 1 ATOM 466 O O . GLY A 1 62 ? 15.023 10.969 30.900 1.00 19.79 ? 403 GLY A O 1 ATOM 467 N N . LYS A 1 63 ? 13.850 9.105 30.383 1.00 20.95 ? 404 LYS A N 1 ATOM 468 C CA . LYS A 1 63 ? 13.113 9.045 31.646 1.00 22.11 ? 404 LYS A CA 1 ATOM 469 C C . LYS A 1 63 ? 14.072 8.865 32.819 1.00 22.51 ? 404 LYS A C 1 ATOM 470 O O . LYS A 1 63 ? 13.780 9.275 33.946 1.00 22.57 ? 404 LYS A O 1 ATOM 471 C CB . LYS A 1 63 ? 12.109 7.889 31.623 1.00 22.37 ? 404 LYS A CB 1 ATOM 472 C CG . LYS A 1 63 ? 10.801 8.188 30.908 1.00 23.75 ? 404 LYS A CG 1 ATOM 473 C CD . LYS A 1 63 ? 9.714 8.580 31.903 1.00 26.18 ? 404 LYS A CD 1 ATOM 474 C CE . LYS A 1 63 ? 8.361 8.721 31.232 1.00 27.42 ? 404 LYS A CE 1 ATOM 475 N NZ . LYS A 1 63 ? 8.250 9.982 30.440 1.00 28.70 ? 404 LYS A NZ 1 ATOM 476 N N . CYS A 1 64 ? 15.219 8.253 32.531 1.00 22.88 ? 405 CYS A N 1 ATOM 477 C CA . CYS A 1 64 ? 16.243 7.972 33.530 1.00 23.64 ? 405 CYS A CA 1 ATOM 478 C C . CYS A 1 64 ? 17.319 9.054 33.608 1.00 22.45 ? 405 CYS A C 1 ATOM 479 O O . CYS A 1 64 ? 18.268 8.943 34.390 1.00 22.26 ? 405 CYS A O 1 ATOM 480 C CB . CYS A 1 64 ? 16.867 6.604 33.257 1.00 24.52 ? 405 CYS A CB 1 ATOM 481 S SG . CYS A 1 64 ? 15.712 5.235 33.455 1.00 29.91 ? 405 CYS A SG 1 ATOM 482 N N . GLY A 1 65 ? 17.164 10.098 32.796 1.00 21.44 ? 406 GLY A N 1 ATOM 483 C CA . GLY A 1 65 ? 18.052 11.255 32.842 1.00 20.42 ? 406 GLY A CA 1 ATOM 484 C C . GLY A 1 65 ? 19.116 11.338 31.764 1.00 19.48 ? 406 GLY A C 1 ATOM 485 O O . GLY A 1 65 ? 19.874 12.306 31.721 1.00 19.76 ? 406 GLY A O 1 ATOM 486 N N . LEU A 1 66 ? 19.188 10.334 30.892 1.00 18.51 ? 407 LEU A N 1 ATOM 487 C CA . LEU A 1 66 ? 20.158 10.363 29.798 1.00 17.76 ? 407 LEU A CA 1 ATOM 488 C C . LEU A 1 66 ? 19.680 11.306 28.701 1.00 17.59 ? 407 LEU A C 1 ATOM 489 O O . LEU A 1 66 ? 18.476 11.502 28.526 1.00 17.69 ? 407 LEU A O 1 ATOM 490 C CB . LEU A 1 66 ? 20.418 8.959 29.236 1.00 17.44 ? 407 LEU A CB 1 ATOM 491 C CG . LEU A 1 66 ? 20.943 7.889 30.203 1.00 17.14 ? 407 LEU A CG 1 ATOM 492 C CD1 . LEU A 1 66 ? 21.315 6.616 29.458 1.00 16.20 ? 407 LEU A CD1 1 ATOM 493 C CD2 . LEU A 1 66 ? 22.127 8.398 31.009 1.00 16.28 ? 407 LEU A CD2 1 ATOM 494 N N . VAL A 1 67 ? 20.630 11.886 27.975 1.00 17.39 ? 408 VAL A N 1 ATOM 495 C CA . VAL A 1 67 ? 20.340 12.932 26.992 1.00 17.39 ? 408 VAL A CA 1 ATOM 496 C C . VAL A 1 67 ? 20.825 12.566 25.585 1.00 17.33 ? 408 VAL A C 1 ATOM 497 O O . VAL A 1 67 ? 21.842 11.888 25.439 1.00 17.32 ? 408 VAL A O 1 ATOM 498 C CB . VAL A 1 67 ? 20.950 14.307 27.414 1.00 17.22 ? 408 VAL A CB 1 ATOM 499 C CG1 . VAL A 1 67 ? 20.401 14.753 28.765 1.00 17.78 ? 408 VAL A CG1 1 ATOM 500 C CG2 . VAL A 1 67 ? 22.480 14.262 27.439 1.00 17.37 ? 408 VAL A CG2 1 ATOM 501 N N . PRO A 1 68 ? 20.132 12.997 24.551 1.00 17.47 ? 409 PRO A N 1 ATOM 502 C CA . PRO A 1 68 ? 20.610 12.812 23.198 1.00 17.50 ? 409 PRO A CA 1 ATOM 503 C C . PRO A 1 68 ? 21.839 13.676 22.897 1.00 17.52 ? 409 PRO A C 1 ATOM 504 O O . PRO A 1 68 ? 21.904 14.795 23.321 1.00 17.53 ? 409 PRO A O 1 ATOM 505 C CB . PRO A 1 68 ? 19.429 13.244 22.342 1.00 17.62 ? 409 PRO A CB 1 ATOM 506 C CG . PRO A 1 68 ? 18.651 14.031 23.143 1.00 17.58 ? 409 PRO A CG 1 ATOM 507 C CD . PRO A 1 68 ? 18.837 13.644 24.571 1.00 17.64 ? 409 PRO A CD 1 ATOM 508 N N . VAL A 1 69 ? 22.793 13.119 22.171 1.00 17.38 ? 410 VAL A N 1 ATOM 509 C CA . VAL A 1 69 ? 24.030 13.789 21.894 1.00 17.67 ? 410 VAL A CA 1 ATOM 510 C C . VAL A 1 69 ? 24.424 14.074 20.454 1.00 17.64 ? 410 VAL A C 1 ATOM 511 O O . VAL A 1 69 ? 24.984 15.055 20.172 1.00 17.78 ? 410 VAL A O 1 ATOM 512 C CB . VAL A 1 69 ? 25.172 12.937 22.414 1.00 17.72 ? 410 VAL A CB 1 ATOM 513 C CG1 . VAL A 1 69 ? 26.418 13.584 22.240 1.00 18.22 ? 410 VAL A CG1 1 ATOM 514 C CG2 . VAL A 1 69 ? 24.958 12.625 23.863 1.00 17.97 ? 410 VAL A CG2 1 ATOM 515 N N . LEU A 1 70 ? 24.143 13.132 19.598 1.00 17.48 ? 411 LEU A N 1 ATOM 516 C CA . LEU A 1 70 ? 24.206 13.279 18.165 1.00 17.41 ? 411 LEU A CA 1 ATOM 517 C C . LEU A 1 70 ? 23.216 12.276 17.560 1.00 17.39 ? 411 LEU A C 1 ATOM 518 O O . LEU A 1 70 ? 22.982 11.287 18.146 1.00 17.11 ? 411 LEU A O 1 ATOM 519 C CB . LEU A 1 70 ? 25.574 12.956 17.614 1.00 17.32 ? 411 LEU A CB 1 ATOM 520 C CG . LEU A 1 70 ? 26.773 13.808 18.001 1.00 17.64 ? 411 LEU A CG 1 ATOM 521 C CD1 . LEU A 1 70 ? 28.055 13.121 17.664 1.00 17.99 ? 411 LEU A CD1 1 ATOM 522 C CD2 . LEU A 1 70 ? 26.683 15.075 17.265 1.00 17.79 ? 411 LEU A CD2 1 ATOM 523 N N . ALA A 1 71 ? 22.676 12.582 16.378 1.00 17.56 ? 412 ALA A N 1 ATOM 524 C CA . ALA A 1 71 ? 21.727 11.686 15.721 1.00 18.09 ? 412 ALA A CA 1 ATOM 525 C C . ALA A 1 71 ? 22.286 11.077 14.444 1.00 18.64 ? 412 ALA A C 1 ATOM 526 O O . ALA A 1 71 ? 23.080 11.705 13.745 1.00 18.34 ? 412 ALA A O 1 ATOM 527 C CB . ALA A 1 71 ? 20.433 12.416 15.424 1.00 17.92 ? 412 ALA A CB 1 ATOM 528 N N . GLU A 1 72 ? 21.861 9.853 14.138 1.00 19.69 ? 413 GLU A N 1 ATOM 529 C CA . GLU A 1 72 ? 22.136 9.269 12.832 1.00 21.16 ? 413 GLU A CA 1 ATOM 530 C C . GLU A 1 72 ? 21.530 10.147 11.750 1.00 23.16 ? 413 GLU A C 1 ATOM 531 O O . GLU A 1 72 ? 20.408 10.634 11.890 1.00 22.54 ? 413 GLU A O 1 ATOM 532 C CB . GLU A 1 72 ? 21.518 7.880 12.710 1.00 20.56 ? 413 GLU A CB 1 ATOM 533 C CG . GLU A 1 72 ? 22.251 6.780 13.439 1.00 19.08 ? 413 GLU A CG 1 ATOM 534 C CD . GLU A 1 72 ? 21.695 5.409 13.105 1.00 17.79 ? 413 GLU A CD 1 ATOM 535 O OE1 . GLU A 1 72 ? 20.703 5.331 12.345 1.00 18.05 ? 413 GLU A OE1 1 ATOM 536 O OE2 . GLU A 1 72 ? 22.254 4.409 13.599 1.00 16.93 ? 413 GLU A OE2 1 ATOM 537 N N . ASN A 1 73 ? 22.283 10.337 10.676 1.00 26.31 ? 414 ASN A N 1 ATOM 538 C CA . ASN A 1 73 ? 21.802 11.046 9.506 1.00 29.98 ? 414 ASN A CA 1 ATOM 539 C C . ASN A 1 73 ? 22.163 10.211 8.288 1.00 32.92 ? 414 ASN A C 1 ATOM 540 O O . ASN A 1 73 ? 23.333 9.897 8.078 1.00 32.88 ? 414 ASN A O 1 ATOM 541 C CB . ASN A 1 73 ? 22.463 12.426 9.427 1.00 29.64 ? 414 ASN A CB 1 ATOM 542 C CG . ASN A 1 73 ? 21.530 13.503 8.898 1.00 29.73 ? 414 ASN A CG 1 ATOM 543 O OD1 . ASN A 1 73 ? 20.453 13.220 8.368 1.00 29.85 ? 414 ASN A OD1 1 ATOM 544 N ND2 . ASN A 1 73 ? 21.947 14.756 9.043 1.00 29.75 ? 414 ASN A ND2 1 ATOM 545 N N . ARG A 1 74 ? 21.162 9.776 7.543 1.00 37.22 ? 415 ARG A N 1 ATOM 546 C CA . ARG A 1 74 ? 21.340 8.980 6.314 1.00 41.62 ? 415 ARG A CA 1 ATOM 547 C C . ARG A 1 74 ? 21.259 9.867 5.067 1.00 44.83 ? 415 ARG A C 1 ATOM 548 O O . ARG A 1 74 ? 21.133 11.050 5.190 1.00 45.13 ? 415 ARG A O 1 ATOM 549 C CB . ARG A 1 74 ? 20.270 7.926 6.214 1.00 41.39 ? 415 ARG A CB 1 ATOM 550 C CG . ARG A 1 74 ? 19.003 8.540 6.083 1.00 41.93 ? 415 ARG A CG 1 ATOM 551 C CD . ARG A 1 74 ? 17.901 7.593 6.226 1.00 42.55 ? 415 ARG A CD 1 ATOM 552 N NE . ARG A 1 74 ? 16.627 8.245 6.029 1.00 43.00 ? 415 ARG A NE 1 ATOM 553 C CZ . ARG A 1 74 ? 15.953 8.876 6.974 1.00 43.17 ? 415 ARG A CZ 1 ATOM 554 N NH1 . ARG A 1 74 ? 16.443 9.002 8.212 1.00 43.09 ? 415 ARG A NH1 1 ATOM 555 N NH2 . ARG A 1 74 ? 14.788 9.396 6.662 1.00 43.20 ? 415 ARG A NH2 1 ATOM 556 N N . LYS A 1 75 ? 21.301 9.275 3.873 1.00 49.10 ? 416 LYS A N 1 ATOM 557 C CA . LYS A 1 75 ? 21.212 10.001 2.596 1.00 53.25 ? 416 LYS A CA 1 ATOM 558 C C . LYS A 1 75 ? 19.949 10.865 2.532 1.00 56.05 ? 416 LYS A C 1 ATOM 559 O O . LYS A 1 75 ? 18.857 10.402 2.875 1.00 56.40 ? 416 LYS A O 1 ATOM 560 C CB . LYS A 1 75 ? 21.233 9.029 1.406 1.00 53.15 ? 416 LYS A CB 1 ATOM 561 C CG . LYS A 1 75 ? 22.396 8.030 1.375 1.00 53.72 ? 416 LYS A CG 1 ATOM 562 C CD . LYS A 1 75 ? 23.658 8.602 0.724 1.00 54.25 ? 416 LYS A CD 1 ATOM 563 C CE . LYS A 1 75 ? 24.594 9.237 1.747 1.00 54.59 ? 416 LYS A CE 1 ATOM 564 N NZ . LYS A 1 75 ? 25.093 8.237 2.736 1.00 54.78 ? 416 LYS A NZ 1 ATOM 565 N N . SER A 1 76 ? 20.071 12.126 2.103 1.00 59.59 ? 417 SER A N 1 ATOM 566 C CA . SER A 1 76 ? 18.908 13.040 2.061 1.00 62.94 ? 417 SER A CA 1 ATOM 567 C C . SER A 1 76 ? 18.786 13.935 0.809 1.00 65.16 ? 417 SER A C 1 ATOM 568 O O . SER A 1 76 ? 19.786 14.233 0.156 1.00 65.45 ? 417 SER A O 1 ATOM 569 C CB . SER A 1 76 ? 18.873 13.909 3.322 1.00 62.85 ? 417 SER A CB 1 ATOM 570 O OG . SER A 1 76 ? 18.766 13.111 4.488 1.00 63.15 ? 417 SER A OG 1 ATOM 571 N N . SER A 1 77 ? 17.558 14.357 0.480 1.00 67.84 ? 418 SER A N 1 ATOM 572 C CA . SER A 1 77 ? 17.314 15.200 -0.706 1.00 70.31 ? 418 SER A CA 1 ATOM 573 C C . SER A 1 77 ? 17.220 16.727 -0.488 1.00 71.85 ? 418 SER A C 1 ATOM 574 O O . SER A 1 77 ? 17.900 17.486 -1.179 1.00 72.09 ? 418 SER A O 1 ATOM 575 C CB . SER A 1 77 ? 16.066 14.711 -1.450 1.00 70.28 ? 418 SER A CB 1 ATOM 576 O OG . SER A 1 77 ? 16.221 13.370 -1.880 1.00 70.47 ? 418 SER A OG 1 ATOM 577 N N . LYS A 1 78 ? 16.494 17.192 0.515 1.00 73.61 ? 419 LYS A N 1 ATOM 578 C CA . LYS A 1 78 ? 16.562 18.611 0.882 1.00 75.14 ? 419 LYS A CA 1 ATOM 579 C C . LYS A 1 78 ? 17.762 18.906 1.825 1.00 75.86 ? 419 LYS A C 1 ATOM 580 O O . LYS A 1 78 ? 18.608 18.031 2.025 1.00 76.05 ? 419 LYS A O 1 ATOM 581 C CB . LYS A 1 78 ? 15.244 19.158 1.414 1.00 75.24 ? 419 LYS A CB 1 ATOM 582 C CG . LYS A 1 78 ? 14.427 18.307 2.353 1.00 75.70 ? 419 LYS A CG 1 ATOM 583 C CD . LYS A 1 78 ? 13.140 19.107 2.800 1.00 76.20 ? 419 LYS A CD 1 ATOM 584 C CE . LYS A 1 78 ? 12.037 18.256 3.507 1.00 76.42 ? 419 LYS A CE 1 ATOM 585 N NZ . LYS A 1 78 ? 12.243 17.964 4.988 1.00 76.54 ? 419 LYS A NZ 1 ATOM 586 N N . HIS A 1 79 ? 17.852 20.130 2.355 1.00 76.52 ? 420 HIS A N 1 ATOM 587 C CA . HIS A 1 79 ? 18.981 20.539 3.179 1.00 76.94 ? 420 HIS A CA 1 ATOM 588 C C . HIS A 1 79 ? 20.281 20.386 2.378 1.00 76.67 ? 420 HIS A C 1 ATOM 589 O O . HIS A 1 79 ? 21.271 19.880 2.854 1.00 76.76 ? 420 HIS A O 1 ATOM 590 C CB . HIS A 1 79 ? 19.009 19.731 4.490 1.00 77.23 ? 420 HIS A CB 1 ATOM 591 C CG . HIS A 1 79 ? 17.734 19.802 5.260 1.00 78.02 ? 420 HIS A CG 1 ATOM 592 N ND1 . HIS A 1 79 ? 17.253 18.755 6.017 1.00 78.60 ? 420 HIS A ND1 1 ATOM 593 C CD2 . HIS A 1 79 ? 16.805 20.779 5.345 1.00 78.58 ? 420 HIS A CD2 1 ATOM 594 C CE1 . HIS A 1 79 ? 16.092 19.091 6.552 1.00 78.83 ? 420 HIS A CE1 1 ATOM 595 N NE2 . HIS A 1 79 ? 15.802 20.318 6.168 1.00 78.85 ? 420 HIS A NE2 1 ATOM 596 N N . SER A 1 80 ? 20.230 20.793 1.115 1.00 76.05 ? 421 SER A N 1 ATOM 597 C CA . SER A 1 80 ? 21.375 20.701 0.217 1.00 75.17 ? 421 SER A CA 1 ATOM 598 C C . SER A 1 80 ? 22.677 21.531 0.423 1.00 74.20 ? 421 SER A C 1 ATOM 599 O O . SER A 1 80 ? 23.767 20.999 0.151 1.00 74.23 ? 421 SER A O 1 ATOM 600 C CB . SER A 1 80 ? 20.945 20.770 -1.231 1.00 75.35 ? 421 SER A CB 1 ATOM 601 O OG . SER A 1 80 ? 22.011 20.405 -2.072 1.00 75.39 ? 421 SER A OG 1 ATOM 602 N N . SER A 1 81 ? 22.591 22.810 0.831 1.00 72.62 ? 422 SER A N 1 ATOM 603 C CA . SER A 1 81 ? 23.797 23.603 1.109 1.00 70.82 ? 422 SER A CA 1 ATOM 604 C C . SER A 1 81 ? 24.664 22.939 2.181 1.00 69.19 ? 422 SER A C 1 ATOM 605 O O . SER A 1 81 ? 25.873 23.179 2.260 1.00 69.13 ? 422 SER A O 1 ATOM 606 C CB . SER A 1 81 ? 23.426 25.015 1.581 1.00 71.04 ? 422 SER A CB 1 ATOM 607 O OG . SER A 1 81 ? 22.466 25.623 0.734 1.00 71.07 ? 422 SER A OG 1 ATOM 608 N N . LEU A 1 82 ? 24.031 22.087 2.985 1.00 66.80 ? 423 LEU A N 1 ATOM 609 C CA . LEU A 1 82 ? 24.558 21.696 4.290 1.00 64.25 ? 423 LEU A CA 1 ATOM 610 C C . LEU A 1 82 ? 25.363 20.400 4.323 1.00 62.12 ? 423 LEU A C 1 ATOM 611 O O . LEU A 1 82 ? 24.993 19.403 3.693 1.00 61.99 ? 423 LEU A O 1 ATOM 612 C CB . LEU A 1 82 ? 23.417 21.637 5.318 1.00 64.51 ? 423 LEU A CB 1 ATOM 613 C CG . LEU A 1 82 ? 22.917 22.954 5.935 1.00 64.59 ? 423 LEU A CG 1 ATOM 614 C CD1 . LEU A 1 82 ? 22.132 23.816 4.944 1.00 64.71 ? 423 LEU A CD1 1 ATOM 615 C CD2 . LEU A 1 82 ? 22.060 22.662 7.158 1.00 64.71 ? 423 LEU A CD2 1 ATOM 616 N N . ASP A 1 83 ? 26.468 20.436 5.067 1.00 59.18 ? 424 ASP A N 1 ATOM 617 C CA . ASP A 1 83 ? 27.243 19.243 5.394 1.00 56.16 ? 424 ASP A CA 1 ATOM 618 C C . ASP A 1 83 ? 26.374 18.320 6.238 1.00 53.79 ? 424 ASP A C 1 ATOM 619 O O . ASP A 1 83 ? 25.504 18.785 6.981 1.00 53.53 ? 424 ASP A O 1 ATOM 620 C CB . ASP A 1 83 ? 28.516 19.620 6.164 1.00 56.41 ? 424 ASP A CB 1 ATOM 621 C CG . ASP A 1 83 ? 29.367 18.410 6.533 1.00 56.56 ? 424 ASP A CG 1 ATOM 622 O OD1 . ASP A 1 83 ? 29.848 17.710 5.615 1.00 56.83 ? 424 ASP A OD1 1 ATOM 623 O OD2 . ASP A 1 83 ? 29.561 18.166 7.744 1.00 56.84 ? 424 ASP A OD2 1 ATOM 624 N N . CYS A 1 84 ? 26.612 17.017 6.116 1.00 50.74 ? 425 CYS A N 1 ATOM 625 C CA . CYS A 1 84 ? 25.841 16.009 6.842 1.00 47.62 ? 425 CYS A CA 1 ATOM 626 C C . CYS A 1 84 ? 25.765 16.276 8.349 1.00 47.10 ? 425 CYS A C 1 ATOM 627 O O . CYS A 1 84 ? 24.695 16.141 8.945 1.00 46.91 ? 425 CYS A O 1 ATOM 628 C CB . CYS A 1 84 ? 26.396 14.607 6.572 1.00 46.73 ? 425 CYS A CB 1 ATOM 629 S SG . CYS A 1 84 ? 25.508 13.277 7.420 1.00 41.20 ? 425 CYS A SG 1 ATOM 630 N N . VAL A 1 85 ? 26.888 16.660 8.953 1.00 46.27 ? 426 VAL A N 1 ATOM 631 C CA . VAL A 1 85 ? 26.954 16.888 10.403 1.00 45.66 ? 426 VAL A CA 1 ATOM 632 C C . VAL A 1 85 ? 26.067 18.058 10.866 1.00 45.44 ? 426 VAL A C 1 ATOM 633 O O . VAL A 1 85 ? 25.637 18.098 12.022 1.00 45.25 ? 426 VAL A O 1 ATOM 634 C CB . VAL A 1 85 ? 28.421 17.073 10.895 1.00 45.61 ? 426 VAL A CB 1 ATOM 635 C CG1 . VAL A 1 85 ? 28.491 17.085 12.419 1.00 45.57 ? 426 VAL A CG1 1 ATOM 636 C CG2 . VAL A 1 85 ? 29.316 15.968 10.346 1.00 45.50 ? 426 VAL A CG2 1 ATOM 637 N N . LEU A 1 86 ? 25.784 18.992 9.958 1.00 45.30 ? 427 LEU A N 1 ATOM 638 C CA . LEU A 1 86 ? 24.956 20.162 10.276 1.00 45.28 ? 427 LEU A CA 1 ATOM 639 C C . LEU A 1 86 ? 23.543 20.064 9.695 1.00 45.29 ? 427 LEU A C 1 ATOM 640 O O . LEU A 1 86 ? 22.691 20.916 9.966 1.00 45.31 ? 427 LEU A O 1 ATOM 641 C CB . LEU A 1 86 ? 25.630 21.453 9.791 1.00 45.27 ? 427 LEU A CB 1 ATOM 642 C CG . LEU A 1 86 ? 27.127 21.684 10.043 1.00 45.33 ? 427 LEU A CG 1 ATOM 643 C CD1 . LEU A 1 86 ? 27.554 23.030 9.467 1.00 45.45 ? 427 LEU A CD1 1 ATOM 644 C CD2 . LEU A 1 86 ? 27.494 21.594 11.527 1.00 45.43 ? 427 LEU A CD2 1 ATOM 645 N N . ARG A 1 87 ? 23.307 19.023 8.901 1.00 45.29 ? 428 ARG A N 1 ATOM 646 C CA . ARG A 1 87 ? 22.023 18.805 8.242 1.00 45.28 ? 428 ARG A CA 1 ATOM 647 C C . ARG A 1 87 ? 20.971 18.302 9.243 1.00 44.91 ? 428 ARG A C 1 ATOM 648 O O . ARG A 1 87 ? 21.231 17.350 9.983 1.00 44.91 ? 428 ARG A O 1 ATOM 649 C CB . ARG A 1 87 ? 22.224 17.863 7.037 1.00 45.49 ? 428 ARG A CB 1 ATOM 650 C CG . ARG A 1 87 ? 21.088 16.901 6.693 1.00 46.36 ? 428 ARG A CG 1 ATOM 651 C CD . ARG A 1 87 ? 21.108 16.477 5.214 1.00 47.89 ? 428 ARG A CD 1 ATOM 652 N NE . ARG A 1 87 ? 22.441 16.186 4.670 1.00 49.03 ? 428 ARG A NE 1 ATOM 653 C CZ . ARG A 1 87 ? 22.953 14.967 4.493 1.00 49.67 ? 428 ARG A CZ 1 ATOM 654 N NH1 . ARG A 1 87 ? 22.260 13.883 4.824 1.00 49.97 ? 428 ARG A NH1 1 ATOM 655 N NH2 . ARG A 1 87 ? 24.170 14.836 3.981 1.00 49.91 ? 428 ARG A NH2 1 ATOM 656 N N . PRO A 1 88 ? 19.796 18.968 9.295 1.00 44.50 ? 429 PRO A N 1 ATOM 657 C CA . PRO A 1 88 ? 18.725 18.503 10.176 1.00 43.97 ? 429 PRO A CA 1 ATOM 658 C C . PRO A 1 88 ? 18.196 17.152 9.711 1.00 43.25 ? 429 PRO A C 1 ATOM 659 O O . PRO A 1 88 ? 17.921 16.966 8.522 1.00 43.31 ? 429 PRO A O 1 ATOM 660 C CB . PRO A 1 88 ? 17.640 19.578 10.023 1.00 44.09 ? 429 PRO A CB 1 ATOM 661 C CG . PRO A 1 88 ? 18.340 20.766 9.455 1.00 44.35 ? 429 PRO A CG 1 ATOM 662 C CD . PRO A 1 88 ? 19.417 20.204 8.586 1.00 44.53 ? 429 PRO A CD 1 ATOM 663 N N . THR A 1 89 ? 18.077 16.219 10.648 1.00 42.21 ? 430 THR A N 1 ATOM 664 C CA . THR A 1 89 ? 17.560 14.882 10.375 1.00 40.99 ? 430 THR A CA 1 ATOM 665 C C . THR A 1 89 ? 16.075 14.951 10.001 1.00 39.80 ? 430 THR A C 1 ATOM 666 O O . THR A 1 89 ? 15.367 15.859 10.441 1.00 39.83 ? 430 THR A O 1 ATOM 667 C CB . THR A 1 89 ? 17.750 13.981 11.600 1.00 41.16 ? 430 THR A CB 1 ATOM 668 O OG1 . THR A 1 89 ? 17.131 14.593 12.739 1.00 41.39 ? 430 THR A OG1 1 ATOM 669 C CG2 . THR A 1 89 ? 19.233 13.782 11.895 1.00 41.16 ? 430 THR A CG2 1 ATOM 670 N N . GLU A 1 90 ? 15.636 14.033 9.146 1.00 38.03 ? 431 GLU A N 1 ATOM 671 C CA . GLU A 1 90 ? 14.272 13.998 8.651 1.00 36.12 ? 431 GLU A CA 1 ATOM 672 C C . GLU A 1 90 ? 13.409 12.800 9.089 1.00 34.14 ? 431 GLU A C 1 ATOM 673 O O . GLU A 1 90 ? 12.370 12.556 8.540 1.00 34.31 ? 431 GLU A O 1 ATOM 674 C CB . GLU A 1 90 ? 14.280 14.047 7.127 1.00 36.51 ? 431 GLU A CB 1 ATOM 675 C CG . GLU A 1 90 ? 14.632 15.407 6.516 1.00 37.53 ? 431 GLU A CG 1 ATOM 676 C CD . GLU A 1 90 ? 15.290 15.271 5.153 1.00 38.97 ? 431 GLU A CD 1 ATOM 677 O OE1 . GLU A 1 90 ? 16.484 15.625 5.050 1.00 39.66 ? 431 GLU A OE1 1 ATOM 678 O OE2 . GLU A 1 90 ? 14.636 14.788 4.201 1.00 39.61 ? 431 GLU A OE2 1 ATOM 679 N N . GLY A 1 91 ? 13.854 12.066 10.047 1.00 31.52 ? 432 GLY A N 1 ATOM 680 C CA . GLY A 1 91 ? 13.132 10.896 10.541 1.00 27.98 ? 432 GLY A CA 1 ATOM 681 C C . GLY A 1 91 ? 13.075 9.792 9.507 1.00 25.54 ? 432 GLY A C 1 ATOM 682 O O . GLY A 1 91 ? 13.374 10.018 8.337 1.00 25.54 ? 432 GLY A O 1 ATOM 683 N N . TYR A 1 92 ? 12.696 8.593 9.931 1.00 22.84 ? 433 TYR A N 1 ATOM 684 C CA . TYR A 1 92 ? 12.530 7.491 8.990 1.00 20.17 ? 433 TYR A CA 1 ATOM 685 C C . TYR A 1 92 ? 11.086 7.013 8.969 1.00 19.17 ? 433 TYR A C 1 ATOM 686 O O . TYR A 1 92 ? 10.318 7.287 9.892 1.00 18.43 ? 433 TYR A O 1 ATOM 687 C CB . TYR A 1 92 ? 13.523 6.356 9.273 1.00 19.68 ? 433 TYR A CB 1 ATOM 688 C CG . TYR A 1 92 ? 13.498 5.790 10.677 1.00 17.77 ? 433 TYR A CG 1 ATOM 689 C CD1 . TYR A 1 92 ? 14.271 6.352 11.694 1.00 16.14 ? 433 TYR A CD1 1 ATOM 690 C CD2 . TYR A 1 92 ? 12.730 4.667 10.979 1.00 15.94 ? 433 TYR A CD2 1 ATOM 691 C CE1 . TYR A 1 92 ? 14.261 5.819 12.984 1.00 15.03 ? 433 TYR A CE1 1 ATOM 692 C CE2 . TYR A 1 92 ? 12.719 4.123 12.259 1.00 14.74 ? 433 TYR A CE2 1 ATOM 693 C CZ . TYR A 1 92 ? 13.485 4.706 13.256 1.00 14.59 ? 433 TYR A CZ 1 ATOM 694 O OH . TYR A 1 92 ? 13.473 4.179 14.526 1.00 12.82 ? 433 TYR A OH 1 ATOM 695 N N . LEU A 1 93 ? 10.711 6.320 7.899 1.00 18.25 ? 434 LEU A N 1 ATOM 696 C CA . LEU A 1 93 ? 9.329 5.903 7.719 1.00 17.52 ? 434 LEU A CA 1 ATOM 697 C C . LEU A 1 93 ? 9.089 4.509 8.278 1.00 17.20 ? 434 LEU A C 1 ATOM 698 O O . LEU A 1 93 ? 9.592 3.527 7.735 1.00 17.30 ? 434 LEU A O 1 ATOM 699 C CB . LEU A 1 93 ? 8.944 5.953 6.236 1.00 17.71 ? 434 LEU A CB 1 ATOM 700 C CG . LEU A 1 93 ? 9.108 7.301 5.528 1.00 17.74 ? 434 LEU A CG 1 ATOM 701 C CD1 . LEU A 1 93 ? 8.836 7.151 4.040 1.00 17.61 ? 434 LEU A CD1 1 ATOM 702 C CD2 . LEU A 1 93 ? 8.190 8.349 6.137 1.00 18.60 ? 434 LEU A CD2 1 ATOM 703 N N . ALA A 1 94 ? 8.321 4.435 9.363 1.00 16.66 ? 435 ALA A N 1 ATOM 704 C CA . ALA A 1 94 ? 7.871 3.159 9.917 1.00 16.33 ? 435 ALA A CA 1 ATOM 705 C C . ALA A 1 94 ? 6.809 2.559 9.000 1.00 16.18 ? 435 ALA A C 1 ATOM 706 O O . ALA A 1 94 ? 5.835 3.228 8.660 1.00 16.17 ? 435 ALA A O 1 ATOM 707 C CB . ALA A 1 94 ? 7.312 3.362 11.315 1.00 16.28 ? 435 ALA A CB 1 ATOM 708 N N . VAL A 1 95 ? 7.002 1.306 8.594 1.00 15.93 ? 436 VAL A N 1 ATOM 709 C CA . VAL A 1 95 ? 6.075 0.654 7.663 1.00 15.72 ? 436 VAL A CA 1 ATOM 710 C C . VAL A 1 95 ? 5.642 -0.734 8.139 1.00 15.95 ? 436 VAL A C 1 ATOM 711 O O . VAL A 1 95 ? 6.306 -1.350 8.976 1.00 15.83 ? 436 VAL A O 1 ATOM 712 C CB . VAL A 1 95 ? 6.671 0.540 6.224 1.00 15.73 ? 436 VAL A CB 1 ATOM 713 C CG1 . VAL A 1 95 ? 6.903 1.925 5.604 1.00 15.60 ? 436 VAL A CG1 1 ATOM 714 C CG2 . VAL A 1 95 ? 7.962 -0.283 6.221 1.00 15.58 ? 436 VAL A CG2 1 ATOM 715 N N . ALA A 1 96 ? 4.522 -1.209 7.600 1.00 16.04 ? 437 ALA A N 1 ATOM 716 C CA . ALA A 1 96 ? 4.111 -2.600 7.749 1.00 16.21 ? 437 ALA A CA 1 ATOM 717 C C . ALA A 1 96 ? 4.285 -3.275 6.393 1.00 16.36 ? 437 ALA A C 1 ATOM 718 O O . ALA A 1 96 ? 3.732 -2.811 5.395 1.00 16.18 ? 437 ALA A O 1 ATOM 719 C CB . ALA A 1 96 ? 2.668 -2.687 8.217 1.00 16.20 ? 437 ALA A CB 1 ATOM 720 N N . VAL A 1 97 ? 5.070 -4.350 6.354 1.00 16.57 ? 438 VAL A N 1 ATOM 721 C CA . VAL A 1 97 ? 5.417 -5.006 5.090 1.00 16.86 ? 438 VAL A CA 1 ATOM 722 C C . VAL A 1 97 ? 4.863 -6.424 5.047 1.00 17.04 ? 438 VAL A C 1 ATOM 723 O O . VAL A 1 97 ? 4.931 -7.155 6.037 1.00 16.80 ? 438 VAL A O 1 ATOM 724 C CB . VAL A 1 97 ? 6.951 -5.060 4.855 1.00 16.86 ? 438 VAL A CB 1 ATOM 725 C CG1 . VAL A 1 97 ? 7.264 -5.332 3.381 1.00 16.91 ? 438 VAL A CG1 1 ATOM 726 C CG2 . VAL A 1 97 ? 7.618 -3.770 5.299 1.00 17.29 ? 438 VAL A CG2 1 ATOM 727 N N . VAL A 1 98 ? 4.309 -6.800 3.897 1.00 17.24 ? 439 VAL A N 1 ATOM 728 C CA . VAL A 1 98 ? 3.800 -8.157 3.680 1.00 17.48 ? 439 VAL A CA 1 ATOM 729 C C . VAL A 1 98 ? 4.282 -8.701 2.336 1.00 17.89 ? 439 VAL A C 1 ATOM 730 O O . VAL A 1 98 ? 4.842 -7.963 1.525 1.00 17.88 ? 439 VAL A O 1 ATOM 731 C CB . VAL A 1 98 ? 2.247 -8.220 3.722 1.00 17.42 ? 439 VAL A CB 1 ATOM 732 C CG1 . VAL A 1 98 ? 1.713 -7.781 5.079 1.00 17.11 ? 439 VAL A CG1 1 ATOM 733 C CG2 . VAL A 1 98 ? 1.624 -7.390 2.589 1.00 17.07 ? 439 VAL A CG2 1 ATOM 734 N N . LYS A 1 99 ? 4.060 -9.993 2.107 1.00 18.29 ? 440 LYS A N 1 ATOM 735 C CA . LYS A 1 99 ? 4.285 -10.576 0.790 1.00 18.86 ? 440 LYS A CA 1 ATOM 736 C C . LYS A 1 99 ? 3.122 -10.229 -0.127 1.00 19.15 ? 440 LYS A C 1 ATOM 737 O O . LYS A 1 99 ? 1.957 -10.319 0.273 1.00 18.96 ? 440 LYS A O 1 ATOM 738 C CB . LYS A 1 99 ? 4.439 -12.097 0.880 1.00 18.85 ? 440 LYS A CB 1 ATOM 739 C CG . LYS A 1 99 ? 5.729 -12.572 1.543 1.00 19.27 ? 440 LYS A CG 1 ATOM 740 C CD . LYS A 1 99 ? 6.955 -12.268 0.692 1.00 19.80 ? 440 LYS A CD 1 ATOM 741 C CE . LYS A 1 99 ? 8.221 -12.807 1.337 1.00 20.44 ? 440 LYS A CE 1 ATOM 742 N NZ . LYS A 1 99 ? 8.294 -14.294 1.298 1.00 20.86 ? 440 LYS A NZ 1 ATOM 743 N N . LYS A 1 100 ? 3.445 -9.817 -1.350 1.00 19.85 ? 441 LYS A N 1 ATOM 744 C CA . LYS A 1 100 ? 2.432 -9.540 -2.364 1.00 20.83 ? 441 LYS A CA 1 ATOM 745 C C . LYS A 1 100 ? 1.536 -10.765 -2.556 1.00 21.11 ? 441 LYS A C 1 ATOM 746 O O . LYS A 1 100 ? 0.313 -10.638 -2.664 1.00 21.42 ? 441 LYS A O 1 ATOM 747 C CB . LYS A 1 100 ? 3.095 -9.133 -3.681 1.00 20.89 ? 441 LYS A CB 1 ATOM 748 C CG . LYS A 1 100 ? 2.132 -8.937 -4.845 1.00 22.30 ? 441 LYS A CG 1 ATOM 749 C CD . LYS A 1 100 ? 2.889 -8.510 -6.079 1.00 24.38 ? 441 LYS A CD 1 ATOM 750 C CE . LYS A 1 100 ? 2.349 -9.170 -7.331 1.00 25.74 ? 441 LYS A CE 1 ATOM 751 N NZ . LYS A 1 100 ? 3.380 -9.140 -8.411 1.00 27.18 ? 441 LYS A NZ 1 ATOM 752 N N . ALA A 1 101 ? 2.155 -11.946 -2.555 1.00 21.65 ? 442 ALA A N 1 ATOM 753 C CA . ALA A 1 101 ? 1.446 -13.220 -2.722 1.00 21.96 ? 442 ALA A CA 1 ATOM 754 C C . ALA A 1 101 ? 0.442 -13.513 -1.604 1.00 22.24 ? 442 ALA A C 1 ATOM 755 O O . ALA A 1 101 ? -0.485 -14.302 -1.791 1.00 22.15 ? 442 ALA A O 1 ATOM 756 C CB . ALA A 1 101 ? 2.440 -14.368 -2.860 1.00 22.05 ? 442 ALA A CB 1 ATOM 757 N N . ASN A 1 102 ? 0.631 -12.884 -0.446 1.00 22.46 ? 443 ASN A N 1 ATOM 758 C CA . ASN A 1 102 ? -0.322 -12.991 0.654 1.00 22.90 ? 443 ASN A CA 1 ATOM 759 C C . ASN A 1 102 ? -1.408 -11.974 0.308 1.00 23.09 ? 443 ASN A C 1 ATOM 760 O O . ASN A 1 102 ? -1.463 -10.873 0.866 1.00 22.95 ? 443 ASN A O 1 ATOM 761 C CB . ASN A 1 102 ? 0.374 -12.690 1.991 1.00 23.00 ? 443 ASN A CB 1 ATOM 762 C CG . ASN A 1 102 ? -0.346 -13.292 3.192 1.00 23.55 ? 443 ASN A CG 1 ATOM 763 O OD1 . ASN A 1 102 ? -1.514 -13.676 3.117 1.00 24.83 ? 443 ASN A OD1 1 ATOM 764 N ND2 . ASN A 1 102 ? 0.359 -13.369 4.318 1.00 23.78 ? 443 ASN A ND2 1 ATOM 765 N N . GLU A 1 103 ? -2.268 -12.355 -0.635 1.00 23.33 ? 444 GLU A N 1 ATOM 766 C CA . GLU A 1 103 ? -3.290 -11.452 -1.156 1.00 23.73 ? 444 GLU A CA 1 ATOM 767 C C . GLU A 1 103 ? -4.420 -11.246 -0.162 1.00 24.13 ? 444 GLU A C 1 ATOM 768 O O . GLU A 1 103 ? -4.777 -12.160 0.580 1.00 24.32 ? 444 GLU A O 1 ATOM 769 C CB . GLU A 1 103 ? -3.845 -11.990 -2.472 1.00 23.65 ? 444 GLU A CB 1 ATOM 770 C CG . GLU A 1 103 ? -2.809 -12.094 -3.572 1.00 23.33 ? 444 GLU A CG 1 ATOM 771 C CD . GLU A 1 103 ? -3.344 -12.768 -4.817 1.00 23.48 ? 444 GLU A CD 1 ATOM 772 O OE1 . GLU A 1 103 ? -4.580 -12.778 -5.015 1.00 25.05 ? 444 GLU A OE1 1 ATOM 773 O OE2 . GLU A 1 103 ? -2.522 -13.286 -5.597 1.00 22.22 ? 444 GLU A OE2 1 ATOM 774 N N . GLY A 1 104 ? -4.973 -10.040 -0.139 1.00 24.50 ? 445 GLY A N 1 ATOM 775 C CA . GLY A 1 104 ? -6.080 -9.740 0.760 1.00 25.02 ? 445 GLY A CA 1 ATOM 776 C C . GLY A 1 104 ? -5.691 -9.528 2.214 1.00 25.17 ? 445 GLY A C 1 ATOM 777 O O . GLY A 1 104 ? -6.561 -9.308 3.057 1.00 25.52 ? 445 GLY A O 1 ATOM 778 N N . LEU A 1 105 ? -4.399 -9.607 2.525 1.00 25.18 ? 446 LEU A N 1 ATOM 779 C CA . LEU A 1 105 ? -3.934 -9.164 3.832 1.00 24.99 ? 446 LEU A CA 1 ATOM 780 C C . LEU A 1 105 ? -3.766 -7.652 3.784 1.00 24.91 ? 446 LEU A C 1 ATOM 781 O O . LEU A 1 105 ? -3.014 -7.125 2.964 1.00 25.09 ? 446 LEU A O 1 ATOM 782 C CB . LEU A 1 105 ? -2.625 -9.847 4.244 1.00 25.00 ? 446 LEU A CB 1 ATOM 783 C CG . LEU A 1 105 ? -2.079 -9.505 5.639 1.00 24.80 ? 446 LEU A CG 1 ATOM 784 C CD1 . LEU A 1 105 ? -3.108 -9.752 6.743 1.00 24.78 ? 446 LEU A CD1 1 ATOM 785 C CD2 . LEU A 1 105 ? -0.813 -10.293 5.914 1.00 25.13 ? 446 LEU A CD2 1 ATOM 786 N N . THR A 1 106 ? -4.498 -6.961 4.650 1.00 24.70 ? 447 THR A N 1 ATOM 787 C CA . THR A 1 106 ? -4.408 -5.511 4.756 1.00 24.59 ? 447 THR A CA 1 ATOM 788 C C . THR A 1 106 ? -4.227 -5.150 6.219 1.00 24.55 ? 447 THR A C 1 ATOM 789 O O . THR A 1 106 ? -4.219 -6.029 7.084 1.00 24.30 ? 447 THR A O 1 ATOM 790 C CB . THR A 1 106 ? -5.684 -4.805 4.230 1.00 24.50 ? 447 THR A CB 1 ATOM 791 O OG1 . THR A 1 106 ? -6.776 -5.052 5.125 1.00 24.52 ? 447 THR A OG1 1 ATOM 792 C CG2 . THR A 1 106 ? -6.048 -5.280 2.823 1.00 24.70 ? 447 THR A CG2 1 ATOM 793 N N . TRP A 1 107 ? -4.097 -3.855 6.498 1.00 24.78 ? 448 TRP A N 1 ATOM 794 C CA . TRP A 1 107 ? -4.086 -3.370 7.874 1.00 25.11 ? 448 TRP A CA 1 ATOM 795 C C . TRP A 1 107 ? -5.314 -3.862 8.649 1.00 25.46 ? 448 TRP A C 1 ATOM 796 O O . TRP A 1 107 ? -5.237 -4.140 9.849 1.00 25.54 ? 448 TRP A O 1 ATOM 797 C CB . TRP A 1 107 ? -4.012 -1.839 7.914 1.00 25.06 ? 448 TRP A CB 1 ATOM 798 C CG . TRP A 1 107 ? -4.025 -1.314 9.312 1.00 25.09 ? 448 TRP A CG 1 ATOM 799 C CD1 . TRP A 1 107 ? -5.099 -0.810 9.991 1.00 25.15 ? 448 TRP A CD1 1 ATOM 800 C CD2 . TRP A 1 107 ? -2.921 -1.279 10.224 1.00 25.10 ? 448 TRP A CD2 1 ATOM 801 N NE1 . TRP A 1 107 ? -4.729 -0.451 11.264 1.00 25.11 ? 448 TRP A NE1 1 ATOM 802 C CE2 . TRP A 1 107 ? -3.398 -0.729 11.435 1.00 24.94 ? 448 TRP A CE2 1 ATOM 803 C CE3 . TRP A 1 107 ? -1.571 -1.650 10.133 1.00 24.91 ? 448 TRP A CE3 1 ATOM 804 C CZ2 . TRP A 1 107 ? -2.573 -0.539 12.550 1.00 25.06 ? 448 TRP A CZ2 1 ATOM 805 C CZ3 . TRP A 1 107 ? -0.750 -1.465 11.246 1.00 24.88 ? 448 TRP A CZ3 1 ATOM 806 C CH2 . TRP A 1 107 ? -1.258 -0.912 12.437 1.00 24.79 ? 448 TRP A CH2 1 ATOM 807 N N . ASN A 1 108 ? -6.436 -3.983 7.944 1.00 25.86 ? 449 ASN A N 1 ATOM 808 C CA . ASN A 1 108 ? -7.716 -4.325 8.556 1.00 26.27 ? 449 ASN A CA 1 ATOM 809 C C . ASN A 1 108 ? -7.973 -5.819 8.762 1.00 26.23 ? 449 ASN A C 1 ATOM 810 O O . ASN A 1 108 ? -9.007 -6.201 9.317 1.00 26.53 ? 449 ASN A O 1 ATOM 811 C CB . ASN A 1 108 ? -8.859 -3.688 7.759 1.00 26.52 ? 449 ASN A CB 1 ATOM 812 C CG . ASN A 1 108 ? -8.811 -2.172 7.785 1.00 27.12 ? 449 ASN A CG 1 ATOM 813 O OD1 . ASN A 1 108 ? -8.588 -1.562 8.834 1.00 28.24 ? 449 ASN A OD1 1 ATOM 814 N ND2 . ASN A 1 108 ? -9.025 -1.554 6.631 1.00 27.94 ? 449 ASN A ND2 1 ATOM 815 N N . SER A 1 109 ? -7.044 -6.653 8.298 1.00 26.05 ? 450 SER A N 1 ATOM 816 C CA . SER A 1 109 ? -7.129 -8.105 8.476 1.00 25.84 ? 450 SER A CA 1 ATOM 817 C C . SER A 1 109 ? -5.995 -8.707 9.323 1.00 25.64 ? 450 SER A C 1 ATOM 818 O O . SER A 1 109 ? -5.805 -9.923 9.330 1.00 25.72 ? 450 SER A O 1 ATOM 819 C CB . SER A 1 109 ? -7.191 -8.805 7.116 1.00 25.84 ? 450 SER A CB 1 ATOM 820 O OG . SER A 1 109 ? -6.039 -8.516 6.341 1.00 25.94 ? 450 SER A OG 1 ATOM 821 N N . LEU A 1 110 ? -5.235 -7.861 10.013 1.00 25.29 ? 451 LEU A N 1 ATOM 822 C CA . LEU A 1 110 ? -4.038 -8.296 10.735 1.00 25.06 ? 451 LEU A CA 1 ATOM 823 C C . LEU A 1 110 ? -4.328 -9.197 11.933 1.00 25.03 ? 451 LEU A C 1 ATOM 824 O O . LEU A 1 110 ? -3.474 -9.990 12.327 1.00 24.95 ? 451 LEU A O 1 ATOM 825 C CB . LEU A 1 110 ? -3.199 -7.094 11.178 1.00 24.84 ? 451 LEU A CB 1 ATOM 826 C CG . LEU A 1 110 ? -2.352 -6.416 10.097 1.00 24.71 ? 451 LEU A CG 1 ATOM 827 C CD1 . LEU A 1 110 ? -1.709 -5.159 10.653 1.00 24.41 ? 451 LEU A CD1 1 ATOM 828 C CD2 . LEU A 1 110 ? -1.292 -7.358 9.530 1.00 24.74 ? 451 LEU A CD2 1 ATOM 829 N N . LYS A 1 111 ? -5.521 -9.076 12.512 1.00 25.08 ? 452 LYS A N 1 ATOM 830 C CA . LYS A 1 111 ? -5.886 -9.884 13.676 1.00 25.23 ? 452 LYS A CA 1 ATOM 831 C C . LYS A 1 111 ? -5.676 -11.377 13.406 1.00 24.89 ? 452 LYS A C 1 ATOM 832 O O . LYS A 1 111 ? -6.048 -11.879 12.344 1.00 24.97 ? 452 LYS A O 1 ATOM 833 C CB . LYS A 1 111 ? -7.331 -9.603 14.103 1.00 25.42 ? 452 LYS A CB 1 ATOM 834 C CG . LYS A 1 111 ? -7.709 -10.223 15.439 1.00 26.73 ? 452 LYS A CG 1 ATOM 835 C CD . LYS A 1 111 ? -9.097 -9.793 15.887 1.00 28.51 ? 452 LYS A CD 1 ATOM 836 C CE . LYS A 1 111 ? -9.604 -10.667 17.029 1.00 29.59 ? 452 LYS A CE 1 ATOM 837 N NZ . LYS A 1 111 ? -8.665 -10.710 18.191 1.00 30.57 ? 452 LYS A NZ 1 ATOM 838 N N . ASP A 1 112 ? -5.051 -12.061 14.368 1.00 24.51 ? 453 ASP A N 1 ATOM 839 C CA . ASP A 1 112 ? -4.763 -13.510 14.309 1.00 24.06 ? 453 ASP A CA 1 ATOM 840 C C . ASP A 1 112 ? -3.880 -13.905 13.115 1.00 23.18 ? 453 ASP A C 1 ATOM 841 O O . ASP A 1 112 ? -3.958 -15.039 12.628 1.00 23.26 ? 453 ASP A O 1 ATOM 842 C CB . ASP A 1 112 ? -6.052 -14.339 14.157 1.00 24.53 ? 453 ASP A CB 1 ATOM 843 C CG . ASP A 1 112 ? -6.985 -14.196 15.344 1.00 25.87 ? 453 ASP A CG 1 ATOM 844 O OD1 . ASP A 1 112 ? -6.499 -14.090 16.491 1.00 27.94 ? 453 ASP A OD1 1 ATOM 845 O OD2 . ASP A 1 112 ? -8.215 -14.195 15.128 1.00 27.93 ? 453 ASP A OD2 1 ATOM 846 N N . LYS A 1 113 ? -3.043 -12.982 12.650 1.00 21.95 ? 454 LYS A N 1 ATOM 847 C CA . LYS A 1 113 ? -1.941 -13.290 11.742 1.00 20.96 ? 454 LYS A CA 1 ATOM 848 C C . LYS A 1 113 ? -0.634 -13.385 12.529 1.00 20.08 ? 454 LYS A C 1 ATOM 849 O O . LYS A 1 113 ? -0.617 -13.154 13.740 1.00 19.97 ? 454 LYS A O 1 ATOM 850 C CB . LYS A 1 113 ? -1.846 -12.250 10.618 1.00 21.10 ? 454 LYS A CB 1 ATOM 851 C CG . LYS A 1 113 ? -3.127 -12.082 9.787 1.00 21.65 ? 454 LYS A CG 1 ATOM 852 C CD . LYS A 1 113 ? -3.519 -13.371 9.063 1.00 22.61 ? 454 LYS A CD 1 ATOM 853 C CE . LYS A 1 113 ? -4.710 -13.167 8.134 1.00 23.22 ? 454 LYS A CE 1 ATOM 854 N NZ . LYS A 1 113 ? -5.955 -12.794 8.867 1.00 23.97 ? 454 LYS A NZ 1 ATOM 855 N N . LYS A 1 114 ? 0.446 -13.743 11.841 1.00 19.18 ? 455 LYS A N 1 ATOM 856 C CA . LYS A 1 114 ? 1.760 -13.896 12.461 1.00 18.62 ? 455 LYS A CA 1 ATOM 857 C C . LYS A 1 114 ? 2.595 -12.651 12.183 1.00 17.69 ? 455 LYS A C 1 ATOM 858 O O . LYS A 1 114 ? 2.661 -12.190 11.043 1.00 17.31 ? 455 LYS A O 1 ATOM 859 C CB . LYS A 1 114 ? 2.457 -15.148 11.923 1.00 18.75 ? 455 LYS A CB 1 ATOM 860 C CG . LYS A 1 114 ? 1.714 -16.454 12.232 1.00 20.28 ? 455 LYS A CG 1 ATOM 861 C CD . LYS A 1 114 ? 2.460 -17.676 11.707 1.00 22.13 ? 455 LYS A CD 1 ATOM 862 C CE . LYS A 1 114 ? 2.214 -17.896 10.220 1.00 24.07 ? 455 LYS A CE 1 ATOM 863 N NZ . LYS A 1 114 ? 2.948 -19.084 9.694 1.00 25.63 ? 455 LYS A NZ 1 ATOM 864 N N . SER A 1 115 ? 3.225 -12.103 13.220 1.00 16.81 ? 456 SER A N 1 ATOM 865 C CA . SER A 1 115 ? 3.934 -10.830 13.081 1.00 15.95 ? 456 SER A CA 1 ATOM 866 C C . SER A 1 115 ? 5.422 -10.917 13.410 1.00 15.39 ? 456 SER A C 1 ATOM 867 O O . SER A 1 115 ? 5.840 -11.725 14.243 1.00 15.23 ? 456 SER A O 1 ATOM 868 C CB . SER A 1 115 ? 3.269 -9.756 13.945 1.00 16.02 ? 456 SER A CB 1 ATOM 869 O OG . SER A 1 115 ? 3.356 -10.078 15.321 1.00 15.83 ? 456 SER A OG 1 ATOM 870 N N . CYS A 1 116 ? 6.210 -10.072 12.748 1.00 14.58 ? 457 CYS A N 1 ATOM 871 C CA . CYS A 1 116 ? 7.641 -9.959 13.006 1.00 14.24 ? 457 CYS A CA 1 ATOM 872 C C . CYS A 1 116 ? 7.937 -8.532 13.444 1.00 13.82 ? 457 CYS A C 1 ATOM 873 O O . CYS A 1 116 ? 7.602 -7.585 12.735 1.00 13.75 ? 457 CYS A O 1 ATOM 874 C CB . CYS A 1 116 ? 8.450 -10.284 11.749 1.00 14.11 ? 457 CYS A CB 1 ATOM 875 S SG . CYS A 1 116 ? 7.954 -11.809 10.897 1.00 15.35 ? 457 CYS A SG 1 ATOM 876 N N . HIS A 1 117 ? 8.561 -8.390 14.609 1.00 13.44 ? 458 HIS A N 1 ATOM 877 C CA . HIS A 1 117 ? 8.871 -7.083 15.185 1.00 13.18 ? 458 HIS A CA 1 ATOM 878 C C . HIS A 1 117 ? 10.368 -6.977 15.395 1.00 12.93 ? 458 HIS A C 1 ATOM 879 O O . HIS A 1 117 ? 11.024 -7.977 15.688 1.00 12.69 ? 458 HIS A O 1 ATOM 880 C CB . HIS A 1 117 ? 8.176 -6.926 16.537 1.00 13.26 ? 458 HIS A CB 1 ATOM 881 C CG . HIS A 1 117 ? 6.698 -7.152 16.493 1.00 14.04 ? 458 HIS A CG 1 ATOM 882 N ND1 . HIS A 1 117 ? 5.789 -6.117 16.498 1.00 14.22 ? 458 HIS A ND1 1 ATOM 883 C CD2 . HIS A 1 117 ? 5.970 -8.293 16.442 1.00 13.93 ? 458 HIS A CD2 1 ATOM 884 C CE1 . HIS A 1 117 ? 4.564 -6.609 16.455 1.00 14.90 ? 458 HIS A CE1 1 ATOM 885 N NE2 . HIS A 1 117 ? 4.646 -7.928 16.420 1.00 14.38 ? 458 HIS A NE2 1 ATOM 886 N N . THR A 1 118 ? 10.913 -5.771 15.257 1.00 12.53 ? 459 THR A N 1 ATOM 887 C CA . THR A 1 118 ? 12.341 -5.557 15.504 1.00 12.50 ? 459 THR A CA 1 ATOM 888 C C . THR A 1 118 ? 12.692 -5.949 16.943 1.00 12.75 ? 459 THR A C 1 ATOM 889 O O . THR A 1 118 ? 13.645 -6.700 17.173 1.00 12.79 ? 459 THR A O 1 ATOM 890 C CB . THR A 1 118 ? 12.750 -4.099 15.236 1.00 12.26 ? 459 THR A CB 1 ATOM 891 O OG1 . THR A 1 118 ? 11.982 -3.238 16.080 1.00 11.74 ? 459 THR A OG1 1 ATOM 892 C CG2 . THR A 1 118 ? 12.495 -3.730 13.778 1.00 12.44 ? 459 THR A CG2 1 ATOM 893 N N . ALA A 1 119 ? 11.966 -5.353 17.886 1.00 13.09 ? 460 ALA A N 1 ATOM 894 C CA . ALA A 1 119 ? 11.993 -5.721 19.296 1.00 13.34 ? 460 ALA A CA 1 ATOM 895 C C . ALA A 1 119 ? 10.834 -5.046 20.034 1.00 13.74 ? 460 ALA A C 1 ATOM 896 O O . ALA A 1 119 ? 10.304 -4.041 19.559 1.00 13.68 ? 460 ALA A O 1 ATOM 897 C CB . ALA A 1 119 ? 13.322 -5.335 19.921 1.00 13.26 ? 460 ALA A CB 1 ATOM 898 N N . VAL A 1 120 ? 10.514 -5.545 21.212 1.00 14.21 ? 461 VAL A N 1 ATOM 899 C CA . VAL A 1 120 ? 9.606 -4.830 22.049 1.00 14.96 ? 461 VAL A CA 1 ATOM 900 C C . VAL A 1 120 ? 10.274 -3.503 22.384 1.00 15.11 ? 461 VAL A C 1 ATOM 901 O O . VAL A 1 120 ? 11.417 -3.443 22.483 1.00 15.04 ? 461 VAL A O 1 ATOM 902 C CB . VAL A 1 120 ? 9.330 -5.586 23.319 1.00 15.10 ? 461 VAL A CB 1 ATOM 903 C CG1 . VAL A 1 120 ? 8.561 -4.749 24.274 1.00 16.15 ? 461 VAL A CG1 1 ATOM 904 C CG2 . VAL A 1 120 ? 8.532 -6.771 22.974 1.00 15.57 ? 461 VAL A CG2 1 ATOM 905 N N . ASP A 1 121 ? 9.465 -2.467 22.458 1.00 15.39 ? 462 ASP A N 1 ATOM 906 C CA . ASP A 1 121 ? 9.860 -1.137 22.866 1.00 15.66 ? 462 ASP A CA 1 ATOM 907 C C . ASP A 1 121 ? 10.564 -0.311 21.796 1.00 15.09 ? 462 ASP A C 1 ATOM 908 O O . ASP A 1 121 ? 10.914 0.795 22.031 1.00 15.08 ? 462 ASP A O 1 ATOM 909 C CB . ASP A 1 121 ? 10.769 -1.144 24.093 1.00 16.30 ? 462 ASP A CB 1 ATOM 910 C CG . ASP A 1 121 ? 10.058 -1.407 25.368 1.00 18.34 ? 462 ASP A CG 1 ATOM 911 O OD1 . ASP A 1 121 ? 8.859 -1.458 25.418 1.00 20.94 ? 462 ASP A OD1 1 ATOM 912 O OD2 . ASP A 1 121 ? 10.772 -1.511 26.355 1.00 20.99 ? 462 ASP A OD2 1 ATOM 913 N N . ARG A 1 122 ? 10.735 -0.864 20.626 1.00 14.28 ? 463 ARG A N 1 ATOM 914 C CA . ARG A 1 122 ? 11.334 -0.113 19.526 1.00 13.74 ? 463 ARG A CA 1 ATOM 915 C C . ARG A 1 122 ? 10.272 0.624 18.709 1.00 13.37 ? 463 ARG A C 1 ATOM 916 O O . ARG A 1 122 ? 9.098 0.246 18.720 1.00 13.35 ? 463 ARG A O 1 ATOM 917 C CB . ARG A 1 122 ? 12.206 -1.013 18.645 1.00 13.59 ? 463 ARG A CB 1 ATOM 918 C CG . ARG A 1 122 ? 13.541 -1.379 19.301 1.00 13.64 ? 463 ARG A CG 1 ATOM 919 C CD . ARG A 1 122 ? 14.418 -2.282 18.430 1.00 14.29 ? 463 ARG A CD 1 ATOM 920 N NE . ARG A 1 122 ? 14.855 -1.659 17.179 1.00 14.94 ? 463 ARG A NE 1 ATOM 921 C CZ . ARG A 1 122 ? 15.915 -2.050 16.471 1.00 15.87 ? 463 ARG A CZ 1 ATOM 922 N NH1 . ARG A 1 122 ? 16.677 -3.053 16.895 1.00 15.59 ? 463 ARG A NH1 1 ATOM 923 N NH2 . ARG A 1 122 ? 16.223 -1.433 15.336 1.00 15.51 ? 463 ARG A NH2 1 ATOM 924 N N . THR A 1 123 ? 10.674 1.736 18.095 1.00 12.87 ? 464 THR A N 1 ATOM 925 C CA . THR A 1 123 ? 9.698 2.553 17.401 1.00 12.66 ? 464 THR A CA 1 ATOM 926 C C . THR A 1 123 ? 8.855 1.970 16.250 1.00 12.59 ? 464 THR A C 1 ATOM 927 O O . THR A 1 123 ? 7.715 1.771 16.424 1.00 12.64 ? 464 THR A O 1 ATOM 928 C CB . THR A 1 123 ? 10.406 3.778 16.794 1.00 12.51 ? 464 THR A CB 1 ATOM 929 O OG1 . THR A 1 123 ? 11.115 4.463 17.814 1.00 12.31 ? 464 THR A OG1 1 ATOM 930 C CG2 . THR A 1 123 ? 9.420 4.717 16.148 1.00 12.58 ? 464 THR A CG2 1 ATOM 931 N N . ALA A 1 124 ? 9.491 1.601 15.144 1.00 12.89 ? 465 ALA A N 1 ATOM 932 C CA . ALA A 1 124 ? 8.778 1.037 14.003 1.00 12.84 ? 465 ALA A CA 1 ATOM 933 C C . ALA A 1 124 ? 8.316 -0.376 14.318 1.00 13.22 ? 465 ALA A C 1 ATOM 934 O O . ALA A 1 124 ? 7.253 -0.805 13.877 1.00 13.21 ? 465 ALA A O 1 ATOM 935 C CB . ALA A 1 124 ? 9.675 1.031 12.777 1.00 12.87 ? 465 ALA A CB 1 ATOM 936 N N . GLY A 1 125 ? 9.126 -1.087 15.093 1.00 13.35 ? 466 GLY A N 1 ATOM 937 C CA . GLY A 1 125 ? 8.877 -2.494 15.367 1.00 13.75 ? 466 GLY A CA 1 ATOM 938 C C . GLY A 1 125 ? 7.783 -2.757 16.377 1.00 13.96 ? 466 GLY A C 1 ATOM 939 O O . GLY A 1 125 ? 7.184 -3.835 16.380 1.00 14.35 ? 466 GLY A O 1 ATOM 940 N N . TRP A 1 126 ? 7.613 -1.827 17.312 1.00 13.97 ? 467 TRP A N 1 ATOM 941 C CA . TRP A 1 126 ? 6.661 -2.019 18.399 1.00 14.23 ? 467 TRP A CA 1 ATOM 942 C C . TRP A 1 126 ? 5.750 -0.840 18.744 1.00 14.25 ? 467 TRP A C 1 ATOM 943 O O . TRP A 1 126 ? 4.526 -0.960 18.697 1.00 14.27 ? 467 TRP A O 1 ATOM 944 C CB . TRP A 1 126 ? 7.393 -2.497 19.657 1.00 14.27 ? 467 TRP A CB 1 ATOM 945 C CG . TRP A 1 126 ? 6.483 -2.765 20.816 1.00 14.92 ? 467 TRP A CG 1 ATOM 946 C CD1 . TRP A 1 126 ? 6.091 -1.876 21.774 1.00 15.87 ? 467 TRP A CD1 1 ATOM 947 C CD2 . TRP A 1 126 ? 5.848 -4.008 21.140 1.00 16.11 ? 467 TRP A CD2 1 ATOM 948 N NE1 . TRP A 1 126 ? 5.253 -2.487 22.674 1.00 16.62 ? 467 TRP A NE1 1 ATOM 949 C CE2 . TRP A 1 126 ? 5.087 -3.797 22.307 1.00 16.45 ? 467 TRP A CE2 1 ATOM 950 C CE3 . TRP A 1 126 ? 5.849 -5.279 20.557 1.00 16.62 ? 467 TRP A CE3 1 ATOM 951 C CZ2 . TRP A 1 126 ? 4.336 -4.808 22.902 1.00 17.46 ? 467 TRP A CZ2 1 ATOM 952 C CZ3 . TRP A 1 126 ? 5.103 -6.282 21.149 1.00 17.05 ? 467 TRP A CZ3 1 ATOM 953 C CH2 . TRP A 1 126 ? 4.356 -6.041 22.309 1.00 17.69 ? 467 TRP A CH2 1 ATOM 954 N N . ASN A 1 127 ? 6.350 0.287 19.123 1.00 14.57 ? 468 ASN A N 1 ATOM 955 C CA . ASN A 1 127 ? 5.587 1.386 19.714 1.00 15.04 ? 468 ASN A CA 1 ATOM 956 C C . ASN A 1 127 ? 4.521 1.932 18.778 1.00 15.21 ? 468 ASN A C 1 ATOM 957 O O . ASN A 1 127 ? 3.379 2.163 19.186 1.00 15.33 ? 468 ASN A O 1 ATOM 958 C CB . ASN A 1 127 ? 6.519 2.508 20.172 1.00 14.92 ? 468 ASN A CB 1 ATOM 959 C CG . ASN A 1 127 ? 7.327 2.132 21.401 1.00 15.32 ? 468 ASN A CG 1 ATOM 960 O OD1 . ASN A 1 127 ? 7.026 1.156 22.089 1.00 15.59 ? 468 ASN A OD1 1 ATOM 961 N ND2 . ASN A 1 127 ? 8.358 2.916 21.685 1.00 15.42 ? 468 ASN A ND2 1 ATOM 962 N N . ILE A 1 128 ? 4.906 2.120 17.521 1.00 15.67 ? 469 ILE A N 1 ATOM 963 C CA . ILE A 1 128 ? 4.002 2.626 16.497 1.00 16.25 ? 469 ILE A CA 1 ATOM 964 C C . ILE A 1 128 ? 2.903 1.602 16.157 1.00 16.73 ? 469 ILE A C 1 ATOM 965 O O . ILE A 1 128 ? 1.726 1.889 16.377 1.00 16.83 ? 469 ILE A O 1 ATOM 966 C CB . ILE A 1 128 ? 4.781 3.127 15.243 1.00 16.28 ? 469 ILE A CB 1 ATOM 967 C CG1 . ILE A 1 128 ? 5.650 4.347 15.596 1.00 16.70 ? 469 ILE A CG1 1 ATOM 968 C CG2 . ILE A 1 128 ? 3.832 3.427 14.081 1.00 16.41 ? 469 ILE A CG2 1 ATOM 969 C CD1 . ILE A 1 128 ? 4.891 5.537 16.201 1.00 17.90 ? 469 ILE A CD1 1 ATOM 970 N N . PRO A 1 129 ? 3.276 0.399 15.665 1.00 17.23 ? 470 PRO A N 1 ATOM 971 C CA . PRO A 1 129 ? 2.233 -0.570 15.302 1.00 17.73 ? 470 PRO A CA 1 ATOM 972 C C . PRO A 1 129 ? 1.334 -0.977 16.474 1.00 18.31 ? 470 PRO A C 1 ATOM 973 O O . PRO A 1 129 ? 0.111 -0.970 16.329 1.00 18.32 ? 470 PRO A O 1 ATOM 974 C CB . PRO A 1 129 ? 3.027 -1.774 14.777 1.00 17.64 ? 470 PRO A CB 1 ATOM 975 C CG . PRO A 1 129 ? 4.390 -1.628 15.368 1.00 17.38 ? 470 PRO A CG 1 ATOM 976 C CD . PRO A 1 129 ? 4.623 -0.145 15.410 1.00 17.34 ? 470 PRO A CD 1 ATOM 977 N N . MET A 1 130 ? 1.919 -1.308 17.625 1.00 19.09 ? 471 MET A N 1 ATOM 978 C CA . MET A 1 130 ? 1.114 -1.751 18.768 1.00 19.96 ? 471 MET A CA 1 ATOM 979 C C . MET A 1 130 ? 0.308 -0.615 19.390 1.00 20.41 ? 471 MET A C 1 ATOM 980 O O . MET A 1 130 ? -0.797 -0.835 19.881 1.00 20.43 ? 471 MET A O 1 ATOM 981 C CB . MET A 1 130 ? 1.960 -2.492 19.813 1.00 20.11 ? 471 MET A CB 1 ATOM 982 C CG . MET A 1 130 ? 2.667 -3.727 19.259 1.00 21.25 ? 471 MET A CG 1 ATOM 983 S SD . MET A 1 130 ? 1.555 -4.904 18.450 1.00 24.11 ? 471 MET A SD 1 ATOM 984 C CE . MET A 1 130 ? 1.672 -6.309 19.554 1.00 23.76 ? 471 MET A CE 1 ATOM 985 N N . GLY A 1 131 ? 0.853 0.599 19.344 1.00 20.91 ? 472 GLY A N 1 ATOM 986 C CA . GLY A 1 131 ? 0.122 1.790 19.778 1.00 21.85 ? 472 GLY A CA 1 ATOM 987 C C . GLY A 1 131 ? -1.127 1.990 18.943 1.00 22.46 ? 472 GLY A C 1 ATOM 988 O O . GLY A 1 131 ? -2.210 2.243 19.478 1.00 22.63 ? 472 GLY A O 1 ATOM 989 N N . LEU A 1 132 ? -0.972 1.857 17.628 1.00 23.14 ? 473 LEU A N 1 ATOM 990 C CA . LEU A 1 132 ? -2.087 1.979 16.694 1.00 23.97 ? 473 LEU A CA 1 ATOM 991 C C . LEU A 1 132 ? -3.119 0.874 16.885 1.00 24.65 ? 473 LEU A C 1 ATOM 992 O O . LEU A 1 132 ? -4.322 1.135 16.844 1.00 24.70 ? 473 LEU A O 1 ATOM 993 C CB . LEU A 1 132 ? -1.582 1.985 15.248 1.00 23.90 ? 473 LEU A CB 1 ATOM 994 C CG . LEU A 1 132 ? -0.855 3.251 14.787 1.00 23.88 ? 473 LEU A CG 1 ATOM 995 C CD1 . LEU A 1 132 ? -0.098 2.994 13.494 1.00 23.69 ? 473 LEU A CD1 1 ATOM 996 C CD2 . LEU A 1 132 ? -1.820 4.427 14.628 1.00 24.19 ? 473 LEU A CD2 1 ATOM 997 N N . ILE A 1 133 ? -2.643 -0.351 17.100 1.00 25.39 ? 474 ILE A N 1 ATOM 998 C CA . ILE A 1 133 ? -3.527 -1.506 17.267 1.00 26.30 ? 474 ILE A CA 1 ATOM 999 C C . ILE A 1 133 ? -4.330 -1.428 18.570 1.00 27.09 ? 474 ILE A C 1 ATOM 1000 O O . ILE A 1 133 ? -5.545 -1.614 18.553 1.00 27.09 ? 474 ILE A O 1 ATOM 1001 C CB . ILE A 1 133 ? -2.754 -2.847 17.126 1.00 26.25 ? 474 ILE A CB 1 ATOM 1002 C CG1 . ILE A 1 133 ? -2.373 -3.075 15.658 1.00 26.10 ? 474 ILE A CG1 1 ATOM 1003 C CG2 . ILE A 1 133 ? -3.579 -4.023 17.655 1.00 26.27 ? 474 ILE A CG2 1 ATOM 1004 C CD1 . ILE A 1 133 ? -1.244 -4.072 15.443 1.00 25.29 ? 474 ILE A CD1 1 ATOM 1005 N N . VAL A 1 134 ? -3.653 -1.134 19.681 1.00 28.09 ? 475 VAL A N 1 ATOM 1006 C CA . VAL A 1 134 ? -4.316 -0.914 20.974 1.00 29.20 ? 475 VAL A CA 1 ATOM 1007 C C . VAL A 1 134 ? -5.405 0.154 20.845 1.00 30.10 ? 475 VAL A C 1 ATOM 1008 O O . VAL A 1 134 ? -6.526 -0.022 21.333 1.00 30.20 ? 475 VAL A O 1 ATOM 1009 C CB . VAL A 1 134 ? -3.294 -0.521 22.081 1.00 29.05 ? 475 VAL A CB 1 ATOM 1010 C CG1 . VAL A 1 134 ? -3.983 0.127 23.284 1.00 29.13 ? 475 VAL A CG1 1 ATOM 1011 C CG2 . VAL A 1 134 ? -2.487 -1.736 22.518 1.00 29.03 ? 475 VAL A CG2 1 ATOM 1012 N N . ASN A 1 135 ? -5.065 1.245 20.166 1.00 31.29 ? 476 ASN A N 1 ATOM 1013 C CA . ASN A 1 135 ? -5.989 2.344 19.930 1.00 32.59 ? 476 ASN A CA 1 ATOM 1014 C C . ASN A 1 135 ? -7.243 1.960 19.161 1.00 33.16 ? 476 ASN A C 1 ATOM 1015 O O . ASN A 1 135 ? -8.357 2.184 19.635 1.00 33.17 ? 476 ASN A O 1 ATOM 1016 C CB . ASN A 1 135 ? -5.270 3.489 19.227 1.00 32.83 ? 476 ASN A CB 1 ATOM 1017 C CG . ASN A 1 135 ? -4.613 4.425 20.198 1.00 34.28 ? 476 ASN A CG 1 ATOM 1018 O OD1 . ASN A 1 135 ? -4.559 4.152 21.403 1.00 34.65 ? 476 ASN A OD1 1 ATOM 1019 N ND2 . ASN A 1 135 ? -4.112 5.536 19.698 1.00 36.85 ? 476 ASN A ND2 1 ATOM 1020 N N . GLN A 1 136 ? -7.053 1.376 17.981 1.00 33.96 ? 477 GLN A N 1 ATOM 1021 C CA . GLN A 1 136 ? -8.165 1.014 17.101 1.00 34.77 ? 477 GLN A CA 1 ATOM 1022 C C . GLN A 1 136 ? -8.957 -0.168 17.641 1.00 35.30 ? 477 GLN A C 1 ATOM 1023 O O . GLN A 1 136 ? -10.146 -0.321 17.355 1.00 35.44 ? 477 GLN A O 1 ATOM 1024 C CB . GLN A 1 136 ? -7.645 0.697 15.702 1.00 34.77 ? 477 GLN A CB 1 ATOM 1025 C CG . GLN A 1 136 ? -6.979 1.881 15.026 1.00 34.99 ? 477 GLN A CG 1 ATOM 1026 C CD . GLN A 1 136 ? -6.271 1.507 13.741 1.00 35.40 ? 477 GLN A CD 1 ATOM 1027 O OE1 . GLN A 1 136 ? -6.431 0.402 13.221 1.00 35.29 ? 477 GLN A OE1 1 ATOM 1028 N NE2 . GLN A 1 136 ? -5.482 2.437 13.214 1.00 35.42 ? 477 GLN A NE2 1 ATOM 1029 N N . THR A 1 137 ? -8.278 -0.995 18.424 1.00 35.92 ? 478 THR A N 1 ATOM 1030 C CA . THR A 1 137 ? -8.867 -2.177 19.027 1.00 36.54 ? 478 THR A CA 1 ATOM 1031 C C . THR A 1 137 ? -9.570 -1.854 20.355 1.00 36.85 ? 478 THR A C 1 ATOM 1032 O O . THR A 1 137 ? -10.464 -2.590 20.787 1.00 36.94 ? 478 THR A O 1 ATOM 1033 C CB . THR A 1 137 ? -7.786 -3.292 19.156 1.00 36.51 ? 478 THR A CB 1 ATOM 1034 O OG1 . THR A 1 137 ? -8.051 -4.327 18.201 1.00 37.00 ? 478 THR A OG1 1 ATOM 1035 C CG2 . THR A 1 137 ? -7.733 -3.899 20.534 1.00 36.61 ? 478 THR A CG2 1 ATOM 1036 N N . GLY A 1 138 ? -9.180 -0.739 20.975 1.00 37.21 ? 479 GLY A N 1 ATOM 1037 C CA . GLY A 1 138 ? -9.703 -0.348 22.286 1.00 37.63 ? 479 GLY A CA 1 ATOM 1038 C C . GLY A 1 138 ? -9.368 -1.355 23.372 1.00 37.90 ? 479 GLY A C 1 ATOM 1039 O O . GLY A 1 138 ? -10.119 -1.509 24.337 1.00 38.02 ? 479 GLY A O 1 ATOM 1040 N N . SER A 1 139 ? -8.239 -2.041 23.210 1.00 38.07 ? 480 SER A N 1 ATOM 1041 C CA . SER A 1 139 ? -7.828 -3.092 24.137 1.00 38.15 ? 480 SER A CA 1 ATOM 1042 C C . SER A 1 139 ? -6.321 -3.109 24.362 1.00 38.20 ? 480 SER A C 1 ATOM 1043 O O . SER A 1 139 ? -5.533 -2.955 23.426 1.00 38.27 ? 480 SER A O 1 ATOM 1044 C CB . SER A 1 139 ? -8.313 -4.464 23.652 1.00 38.15 ? 480 SER A CB 1 ATOM 1045 O OG . SER A 1 139 ? -7.697 -5.521 24.368 1.00 38.22 ? 480 SER A OG 1 ATOM 1046 N N . CYS A 1 140 ? -5.944 -3.308 25.621 1.00 38.16 ? 481 CYS A N 1 ATOM 1047 C CA . CYS A 1 140 ? -4.546 -3.374 26.031 1.00 38.20 ? 481 CYS A CA 1 ATOM 1048 C C . CYS A 1 140 ? -3.955 -4.773 25.874 1.00 37.86 ? 481 CYS A C 1 ATOM 1049 O O . CYS A 1 140 ? -2.774 -4.990 26.157 1.00 37.85 ? 481 CYS A O 1 ATOM 1050 C CB . CYS A 1 140 ? -4.401 -2.901 27.480 1.00 38.35 ? 481 CYS A CB 1 ATOM 1051 S SG . CYS A 1 140 ? -4.220 -1.117 27.640 1.00 39.50 ? 481 CYS A SG 1 ATOM 1052 N N . ALA A 1 141 ? -4.778 -5.713 25.415 1.00 37.53 ? 482 ALA A N 1 ATOM 1053 C CA . ALA A 1 141 ? -4.351 -7.097 25.232 1.00 37.25 ? 482 ALA A CA 1 ATOM 1054 C C . ALA A 1 141 ? -3.560 -7.296 23.934 1.00 37.06 ? 482 ALA A C 1 ATOM 1055 O O . ALA A 1 141 ? -3.831 -8.221 23.161 1.00 37.03 ? 482 ALA A O 1 ATOM 1056 C CB . ALA A 1 141 ? -5.556 -8.035 25.296 1.00 37.26 ? 482 ALA A CB 1 ATOM 1057 N N . PHE A 1 142 ? -2.574 -6.425 23.714 1.00 36.78 ? 483 PHE A N 1 ATOM 1058 C CA . PHE A 1 142 ? -1.729 -6.453 22.514 1.00 36.51 ? 483 PHE A CA 1 ATOM 1059 C C . PHE A 1 142 ? -0.964 -7.773 22.357 1.00 36.28 ? 483 PHE A C 1 ATOM 1060 O O . PHE A 1 142 ? -0.365 -8.036 21.314 1.00 36.26 ? 483 PHE A O 1 ATOM 1061 C CB . PHE A 1 142 ? -0.754 -5.262 22.509 1.00 36.57 ? 483 PHE A CB 1 ATOM 1062 C CG . PHE A 1 142 ? 0.215 -5.251 23.668 1.00 36.66 ? 483 PHE A CG 1 ATOM 1063 C CD1 . PHE A 1 142 ? 0.159 -4.246 24.629 1.00 36.86 ? 483 PHE A CD1 1 ATOM 1064 C CD2 . PHE A 1 142 ? 1.190 -6.241 23.794 1.00 36.74 ? 483 PHE A CD2 1 ATOM 1065 C CE1 . PHE A 1 142 ? 1.054 -4.232 25.698 1.00 36.94 ? 483 PHE A CE1 1 ATOM 1066 C CE2 . PHE A 1 142 ? 2.082 -6.238 24.859 1.00 36.87 ? 483 PHE A CE2 1 ATOM 1067 C CZ . PHE A 1 142 ? 2.017 -5.231 25.811 1.00 36.90 ? 483 PHE A CZ 1 ATOM 1068 N N . ASP A 1 143 ? -0.993 -8.587 23.407 1.00 35.96 ? 484 ASP A N 1 ATOM 1069 C CA . ASP A 1 143 ? -0.335 -9.887 23.430 1.00 35.66 ? 484 ASP A CA 1 ATOM 1070 C C . ASP A 1 143 ? -1.254 -10.974 22.881 1.00 35.14 ? 484 ASP A C 1 ATOM 1071 O O . ASP A 1 143 ? -0.837 -12.119 22.697 1.00 35.23 ? 484 ASP A O 1 ATOM 1072 C CB . ASP A 1 143 ? 0.048 -10.234 24.866 1.00 35.87 ? 484 ASP A CB 1 ATOM 1073 C CG . ASP A 1 143 ? -1.156 -10.299 25.783 1.00 36.44 ? 484 ASP A CG 1 ATOM 1074 O OD1 . ASP A 1 143 ? -1.762 -9.241 26.060 1.00 37.08 ? 484 ASP A OD1 1 ATOM 1075 O OD2 . ASP A 1 143 ? -1.499 -11.416 26.220 1.00 37.38 ? 484 ASP A OD2 1 ATOM 1076 N N . GLU A 1 144 ? -2.510 -10.607 22.641 1.00 34.39 ? 485 GLU A N 1 ATOM 1077 C CA . GLU A 1 144 ? -3.514 -11.540 22.146 1.00 33.66 ? 485 GLU A CA 1 ATOM 1078 C C . GLU A 1 144 ? -4.006 -11.179 20.745 1.00 32.54 ? 485 GLU A C 1 ATOM 1079 O O . GLU A 1 144 ? -4.927 -11.813 20.224 1.00 32.65 ? 485 GLU A O 1 ATOM 1080 C CB . GLU A 1 144 ? -4.687 -11.625 23.130 1.00 33.97 ? 485 GLU A CB 1 ATOM 1081 C CG . GLU A 1 144 ? -4.532 -12.736 24.164 1.00 35.30 ? 485 GLU A CG 1 ATOM 1082 C CD . GLU A 1 144 ? -5.157 -12.402 25.512 1.00 36.73 ? 485 GLU A CD 1 ATOM 1083 O OE1 . GLU A 1 144 ? -4.659 -12.926 26.532 1.00 37.57 ? 485 GLU A OE1 1 ATOM 1084 O OE2 . GLU A 1 144 ? -6.135 -11.622 25.561 1.00 37.49 ? 485 GLU A OE2 1 ATOM 1085 N N . PHE A 1 145 ? -3.385 -10.172 20.134 1.00 31.01 ? 486 PHE A N 1 ATOM 1086 C CA . PHE A 1 145 ? -3.809 -9.699 18.816 1.00 29.43 ? 486 PHE A CA 1 ATOM 1087 C C . PHE A 1 145 ? -3.317 -10.604 17.691 1.00 28.24 ? 486 PHE A C 1 ATOM 1088 O O . PHE A 1 145 ? -4.119 -11.122 16.911 1.00 28.26 ? 486 PHE A O 1 ATOM 1089 C CB . PHE A 1 145 ? -3.378 -8.250 18.575 1.00 29.46 ? 486 PHE A CB 1 ATOM 1090 C CG . PHE A 1 145 ? -3.922 -7.662 17.301 1.00 29.39 ? 486 PHE A CG 1 ATOM 1091 C CD1 . PHE A 1 145 ? -5.260 -7.280 17.212 1.00 29.26 ? 486 PHE A CD1 1 ATOM 1092 C CD2 . PHE A 1 145 ? -3.102 -7.494 16.189 1.00 29.09 ? 486 PHE A CD2 1 ATOM 1093 C CE1 . PHE A 1 145 ? -5.772 -6.739 16.036 1.00 29.11 ? 486 PHE A CE1 1 ATOM 1094 C CE2 . PHE A 1 145 ? -3.604 -6.953 15.007 1.00 29.03 ? 486 PHE A CE2 1 ATOM 1095 C CZ . PHE A 1 145 ? -4.943 -6.573 14.932 1.00 29.12 ? 486 PHE A CZ 1 ATOM 1096 N N . PHE A 1 146 ? -2.002 -10.775 17.602 1.00 26.57 ? 487 PHE A N 1 ATOM 1097 C CA . PHE A 1 146 ? -1.418 -11.694 16.638 1.00 25.02 ? 487 PHE A CA 1 ATOM 1098 C C . PHE A 1 146 ? -1.430 -13.096 17.234 1.00 24.34 ? 487 PHE A C 1 ATOM 1099 O O . PHE A 1 146 ? -1.294 -13.253 18.448 1.00 24.43 ? 487 PHE A O 1 ATOM 1100 C CB . PHE A 1 146 ? -0.002 -11.246 16.259 1.00 24.73 ? 487 PHE A CB 1 ATOM 1101 C CG . PHE A 1 146 ? 0.043 -9.896 15.592 1.00 23.62 ? 487 PHE A CG 1 ATOM 1102 C CD1 . PHE A 1 146 ? -0.399 -9.737 14.280 1.00 22.71 ? 487 PHE A CD1 1 ATOM 1103 C CD2 . PHE A 1 146 ? 0.513 -8.781 16.279 1.00 22.94 ? 487 PHE A CD2 1 ATOM 1104 C CE1 . PHE A 1 146 ? -0.367 -8.491 13.659 1.00 22.57 ? 487 PHE A CE1 1 ATOM 1105 C CE2 . PHE A 1 146 ? 0.549 -7.531 15.668 1.00 22.77 ? 487 PHE A CE2 1 ATOM 1106 C CZ . PHE A 1 146 ? 0.106 -7.386 14.354 1.00 22.70 ? 487 PHE A CZ 1 ATOM 1107 N N . SER A 1 147 ? -1.625 -14.105 16.390 1.00 23.45 ? 488 SER A N 1 ATOM 1108 C CA . SER A 1 147 ? -1.661 -15.493 16.853 1.00 22.57 ? 488 SER A CA 1 ATOM 1109 C C . SER A 1 147 ? -0.297 -15.932 17.382 1.00 21.92 ? 488 SER A C 1 ATOM 1110 O O . SER A 1 147 ? -0.208 -16.609 18.406 1.00 21.79 ? 488 SER A O 1 ATOM 1111 C CB . SER A 1 147 ? -2.129 -16.432 15.738 1.00 22.61 ? 488 SER A CB 1 ATOM 1112 O OG . SER A 1 147 ? -1.258 -16.380 14.622 1.00 22.55 ? 488 SER A OG 1 ATOM 1113 N N . GLN A 1 148 ? 0.755 -15.549 16.664 1.00 20.99 ? 489 GLN A N 1 ATOM 1114 C CA . GLN A 1 148 ? 2.135 -15.788 17.076 1.00 20.27 ? 489 GLN A CA 1 ATOM 1115 C C . GLN A 1 148 ? 2.980 -14.628 16.576 1.00 19.31 ? 489 GLN A C 1 ATOM 1116 O O . GLN A 1 148 ? 2.639 -13.995 15.576 1.00 19.00 ? 489 GLN A O 1 ATOM 1117 C CB . GLN A 1 148 ? 2.682 -17.079 16.469 1.00 20.50 ? 489 GLN A CB 1 ATOM 1118 C CG . GLN A 1 148 ? 2.010 -18.368 16.913 1.00 22.04 ? 489 GLN A CG 1 ATOM 1119 C CD . GLN A 1 148 ? 2.586 -19.572 16.200 1.00 23.60 ? 489 GLN A CD 1 ATOM 1120 O OE1 . GLN A 1 148 ? 2.489 -19.692 14.977 1.00 25.28 ? 489 GLN A OE1 1 ATOM 1121 N NE2 . GLN A 1 148 ? 3.197 -20.470 16.960 1.00 24.71 ? 489 GLN A NE2 1 ATOM 1122 N N . SER A 1 149 ? 4.086 -14.358 17.261 1.00 18.20 ? 490 SER A N 1 ATOM 1123 C CA . SER A 1 149 ? 5.005 -13.307 16.834 1.00 17.29 ? 490 SER A CA 1 ATOM 1124 C C . SER A 1 149 ? 6.450 -13.668 17.121 1.00 16.59 ? 490 SER A C 1 ATOM 1125 O O . SER A 1 149 ? 6.733 -14.603 17.876 1.00 16.32 ? 490 SER A O 1 ATOM 1126 C CB . SER A 1 149 ? 4.696 -11.993 17.559 1.00 17.23 ? 490 SER A CB 1 ATOM 1127 O OG . SER A 1 149 ? 3.318 -11.687 17.531 1.00 18.14 ? 490 SER A OG 1 ATOM 1128 N N . CYS A 1 150 ? 7.361 -12.928 16.497 1.00 15.56 ? 491 CYS A N 1 ATOM 1129 C CA . CYS A 1 150 ? 8.692 -12.764 17.051 1.00 15.15 ? 491 CYS A CA 1 ATOM 1130 C C . CYS A 1 150 ? 8.835 -11.307 17.447 1.00 14.82 ? 491 CYS A C 1 ATOM 1131 O O . CYS A 1 150 ? 8.889 -10.420 16.592 1.00 14.72 ? 491 CYS A O 1 ATOM 1132 C CB . CYS A 1 150 ? 9.802 -13.167 16.079 1.00 15.22 ? 491 CYS A CB 1 ATOM 1133 S SG . CYS A 1 150 ? 11.476 -12.974 16.792 1.00 15.72 ? 491 CYS A SG 1 ATOM 1134 N N . ALA A 1 151 ? 8.864 -11.077 18.754 1.00 14.40 ? 492 ALA A N 1 ATOM 1135 C CA . ALA A 1 151 ? 9.021 -9.746 19.315 1.00 14.03 ? 492 ALA A CA 1 ATOM 1136 C C . ALA A 1 151 ? 10.119 -9.908 20.355 1.00 13.87 ? 492 ALA A C 1 ATOM 1137 O O . ALA A 1 151 ? 9.831 -10.178 21.527 1.00 13.70 ? 492 ALA A O 1 ATOM 1138 C CB . ALA A 1 151 ? 7.720 -9.268 19.926 1.00 14.17 ? 492 ALA A CB 1 ATOM 1139 N N . PRO A 1 152 ? 11.386 -9.769 19.922 1.00 13.95 ? 493 PRO A N 1 ATOM 1140 C CA . PRO A 1 152 ? 12.508 -9.925 20.846 1.00 14.52 ? 493 PRO A CA 1 ATOM 1141 C C . PRO A 1 152 ? 12.371 -9.038 22.083 1.00 15.08 ? 493 PRO A C 1 ATOM 1142 O O . PRO A 1 152 ? 12.044 -7.852 21.973 1.00 15.30 ? 493 PRO A O 1 ATOM 1143 C CB . PRO A 1 152 ? 13.712 -9.523 19.996 1.00 14.44 ? 493 PRO A CB 1 ATOM 1144 C CG . PRO A 1 152 ? 13.314 -9.919 18.610 1.00 14.17 ? 493 PRO A CG 1 ATOM 1145 C CD . PRO A 1 152 ? 11.848 -9.599 18.529 1.00 13.91 ? 493 PRO A CD 1 ATOM 1146 N N . GLY A 1 153 ? 12.594 -9.630 23.252 1.00 15.47 ? 494 GLY A N 1 ATOM 1147 C CA . GLY A 1 153 ? 12.427 -8.924 24.517 1.00 16.00 ? 494 GLY A CA 1 ATOM 1148 C C . GLY A 1 153 ? 11.170 -9.306 25.281 1.00 16.42 ? 494 GLY A C 1 ATOM 1149 O O . GLY A 1 153 ? 11.065 -9.023 26.473 1.00 16.72 ? 494 GLY A O 1 ATOM 1150 N N . ALA A 1 154 ? 10.216 -9.943 24.601 1.00 16.59 ? 495 ALA A N 1 ATOM 1151 C CA . ALA A 1 154 ? 9.004 -10.450 25.253 1.00 16.91 ? 495 ALA A CA 1 ATOM 1152 C C . ALA A 1 154 ? 9.316 -11.739 26.021 1.00 17.32 ? 495 ALA A C 1 ATOM 1153 O O . ALA A 1 154 ? 10.448 -12.224 25.983 1.00 17.29 ? 495 ALA A O 1 ATOM 1154 C CB . ALA A 1 154 ? 7.904 -10.675 24.228 1.00 16.83 ? 495 ALA A CB 1 ATOM 1155 N N . ASP A 1 155 ? 8.326 -12.279 26.729 1.00 17.96 ? 496 ASP A N 1 ATOM 1156 C CA . ASP A 1 155 ? 8.504 -13.523 27.484 1.00 18.83 ? 496 ASP A CA 1 ATOM 1157 C C . ASP A 1 155 ? 8.754 -14.677 26.508 1.00 19.19 ? 496 ASP A C 1 ATOM 1158 O O . ASP A 1 155 ? 7.903 -14.953 25.663 1.00 19.09 ? 496 ASP A O 1 ATOM 1159 C CB . ASP A 1 155 ? 7.264 -13.784 28.350 1.00 18.88 ? 496 ASP A CB 1 ATOM 1160 C CG . ASP A 1 155 ? 7.374 -15.051 29.199 1.00 19.85 ? 496 ASP A CG 1 ATOM 1161 O OD1 . ASP A 1 155 ? 8.403 -15.758 29.151 1.00 20.73 ? 496 ASP A OD1 1 ATOM 1162 O OD2 . ASP A 1 155 ? 6.402 -15.342 29.926 1.00 21.63 ? 496 ASP A OD2 1 ATOM 1163 N N . PRO A 1 156 ? 9.926 -15.348 26.610 1.00 19.72 ? 497 PRO A N 1 ATOM 1164 C CA . PRO A 1 156 ? 10.272 -16.392 25.632 1.00 20.32 ? 497 PRO A CA 1 ATOM 1165 C C . PRO A 1 156 ? 9.270 -17.542 25.513 1.00 20.80 ? 497 PRO A C 1 ATOM 1166 O O . PRO A 1 156 ? 9.233 -18.205 24.476 1.00 20.91 ? 497 PRO A O 1 ATOM 1167 C CB . PRO A 1 156 ? 11.622 -16.921 26.124 1.00 20.26 ? 497 PRO A CB 1 ATOM 1168 C CG . PRO A 1 156 ? 12.170 -15.866 26.996 1.00 20.21 ? 497 PRO A CG 1 ATOM 1169 C CD . PRO A 1 156 ? 11.022 -15.101 27.569 1.00 19.82 ? 497 PRO A CD 1 ATOM 1170 N N . LYS A 1 157 ? 8.474 -17.781 26.553 1.00 21.35 ? 498 LYS A N 1 ATOM 1171 C CA . LYS A 1 157 ? 7.476 -18.853 26.513 1.00 21.97 ? 498 LYS A CA 1 ATOM 1172 C C . LYS A 1 157 ? 6.132 -18.388 25.949 1.00 22.00 ? 498 LYS A C 1 ATOM 1173 O O . LYS A 1 157 ? 5.245 -19.207 25.693 1.00 22.37 ? 498 LYS A O 1 ATOM 1174 C CB . LYS A 1 157 ? 7.292 -19.497 27.895 1.00 22.16 ? 498 LYS A CB 1 ATOM 1175 C CG . LYS A 1 157 ? 6.551 -18.641 28.917 1.00 23.09 ? 498 LYS A CG 1 ATOM 1176 C CD . LYS A 1 157 ? 6.320 -19.413 30.215 1.00 24.65 ? 498 LYS A CD 1 ATOM 1177 C CE . LYS A 1 157 ? 5.807 -18.506 31.325 1.00 25.37 ? 498 LYS A CE 1 ATOM 1178 N NZ . LYS A 1 157 ? 6.804 -17.470 31.724 1.00 25.98 ? 498 LYS A NZ 1 ATOM 1179 N N . SER A 1 158 ? 5.991 -17.079 25.753 1.00 21.79 ? 499 SER A N 1 ATOM 1180 C CA . SER A 1 158 ? 4.736 -16.500 25.281 1.00 21.54 ? 499 SER A CA 1 ATOM 1181 C C . SER A 1 158 ? 4.622 -16.558 23.763 1.00 21.31 ? 499 SER A C 1 ATOM 1182 O O . SER A 1 158 ? 5.608 -16.787 23.059 1.00 21.11 ? 499 SER A O 1 ATOM 1183 C CB . SER A 1 158 ? 4.601 -15.052 25.754 1.00 21.55 ? 499 SER A CB 1 ATOM 1184 O OG . SER A 1 158 ? 5.447 -14.197 25.005 1.00 21.57 ? 499 SER A OG 1 ATOM 1185 N N . ARG A 1 159 ? 3.411 -16.329 23.265 1.00 21.23 ? 500 ARG A N 1 ATOM 1186 C CA . ARG A 1 159 ? 3.164 -16.336 21.830 1.00 21.08 ? 500 ARG A CA 1 ATOM 1187 C C . ARG A 1 159 ? 3.884 -15.190 21.113 1.00 20.32 ? 500 ARG A C 1 ATOM 1188 O O . ARG A 1 159 ? 4.142 -15.277 19.915 1.00 20.32 ? 500 ARG A O 1 ATOM 1189 C CB . ARG A 1 159 ? 1.662 -16.325 21.528 1.00 21.62 ? 500 ARG A CB 1 ATOM 1190 C CG . ARG A 1 159 ? 0.969 -15.015 21.826 1.00 23.47 ? 500 ARG A CG 1 ATOM 1191 C CD . ARG A 1 159 ? -0.339 -14.919 21.079 1.00 26.78 ? 500 ARG A CD 1 ATOM 1192 N NE . ARG A 1 159 ? -1.456 -15.468 21.840 1.00 29.19 ? 500 ARG A NE 1 ATOM 1193 C CZ . ARG A 1 159 ? -2.736 -15.265 21.538 1.00 30.54 ? 500 ARG A CZ 1 ATOM 1194 N NH1 . ARG A 1 159 ? -3.069 -14.528 20.485 1.00 31.27 ? 500 ARG A NH1 1 ATOM 1195 N NH2 . ARG A 1 159 ? -3.688 -15.799 22.291 1.00 31.11 ? 500 ARG A NH2 1 ATOM 1196 N N . LEU A 1 160 ? 4.221 -14.131 21.852 1.00 19.33 ? 501 LEU A N 1 ATOM 1197 C CA . LEU A 1 160 ? 4.993 -13.016 21.294 1.00 18.46 ? 501 LEU A CA 1 ATOM 1198 C C . LEU A 1 160 ? 6.433 -13.405 20.926 1.00 17.79 ? 501 LEU A C 1 ATOM 1199 O O . LEU A 1 160 ? 7.099 -12.692 20.169 1.00 17.19 ? 501 LEU A O 1 ATOM 1200 C CB . LEU A 1 160 ? 4.975 -11.811 22.243 1.00 18.55 ? 501 LEU A CB 1 ATOM 1201 C CG . LEU A 1 160 ? 3.686 -10.983 22.317 1.00 18.96 ? 501 LEU A CG 1 ATOM 1202 C CD1 . LEU A 1 160 ? 3.732 -10.014 23.492 1.00 19.37 ? 501 LEU A CD1 1 ATOM 1203 C CD2 . LEU A 1 160 ? 3.428 -10.230 21.011 1.00 19.44 ? 501 LEU A CD2 1 ATOM 1204 N N . CYS A 1 161 ? 6.905 -14.535 21.455 1.00 17.17 ? 502 CYS A N 1 ATOM 1205 C CA . CYS A 1 161 ? 8.237 -15.054 21.125 1.00 16.97 ? 502 CYS A CA 1 ATOM 1206 C C . CYS A 1 161 ? 8.192 -16.327 20.288 1.00 17.03 ? 502 CYS A C 1 ATOM 1207 O O . CYS A 1 161 ? 9.239 -16.835 19.885 1.00 17.07 ? 502 CYS A O 1 ATOM 1208 C CB . CYS A 1 161 ? 9.037 -15.333 22.398 1.00 16.52 ? 502 CYS A CB 1 ATOM 1209 S SG . CYS A 1 161 ? 9.657 -13.868 23.232 1.00 16.73 ? 502 CYS A SG 1 ATOM 1210 N N . ALA A 1 162 ? 6.985 -16.830 20.022 1.00 17.16 ? 503 ALA A N 1 ATOM 1211 C CA . ALA A 1 162 ? 6.804 -18.144 19.385 1.00 17.48 ? 503 ALA A CA 1 ATOM 1212 C C . ALA A 1 162 ? 7.554 -18.314 18.062 1.00 17.59 ? 503 ALA A C 1 ATOM 1213 O O . ALA A 1 162 ? 8.045 -19.405 17.759 1.00 17.93 ? 503 ALA A O 1 ATOM 1214 C CB . ALA A 1 162 ? 5.317 -18.454 19.203 1.00 17.47 ? 503 ALA A CB 1 ATOM 1215 N N . LEU A 1 163 ? 7.648 -17.236 17.287 1.00 17.56 ? 504 LEU A N 1 ATOM 1216 C CA . LEU A 1 163 ? 8.289 -17.280 15.971 1.00 17.45 ? 504 LEU A CA 1 ATOM 1217 C C . LEU A 1 163 ? 9.787 -16.997 15.990 1.00 17.38 ? 504 LEU A C 1 ATOM 1218 O O . LEU A 1 163 ? 10.468 -17.205 14.986 1.00 17.19 ? 504 LEU A O 1 ATOM 1219 C CB . LEU A 1 163 ? 7.593 -16.323 15.001 1.00 17.48 ? 504 LEU A CB 1 ATOM 1220 C CG . LEU A 1 163 ? 6.088 -16.506 14.793 1.00 18.04 ? 504 LEU A CG 1 ATOM 1221 C CD1 . LEU A 1 163 ? 5.587 -15.484 13.789 1.00 17.99 ? 504 LEU A CD1 1 ATOM 1222 C CD2 . LEU A 1 163 ? 5.743 -17.922 14.340 1.00 18.34 ? 504 LEU A CD2 1 ATOM 1223 N N . CYS A 1 164 ? 10.300 -16.513 17.119 1.00 17.48 ? 505 CYS A N 1 ATOM 1224 C CA . CYS A 1 164 ? 11.729 -16.245 17.233 1.00 17.71 ? 505 CYS A CA 1 ATOM 1225 C C . CYS A 1 164 ? 12.515 -17.554 17.158 1.00 18.23 ? 505 CYS A C 1 ATOM 1226 O O . CYS A 1 164 ? 11.999 -18.617 17.515 1.00 18.37 ? 505 CYS A O 1 ATOM 1227 C CB . CYS A 1 164 ? 12.049 -15.479 18.517 1.00 17.48 ? 505 CYS A CB 1 ATOM 1228 S SG . CYS A 1 164 ? 11.318 -13.811 18.647 1.00 16.38 ? 505 CYS A SG 1 ATOM 1229 N N . ALA A 1 165 ? 13.753 -17.471 16.682 1.00 18.75 ? 506 ALA A N 1 ATOM 1230 C CA . ALA A 1 165 ? 14.535 -18.664 16.359 1.00 19.38 ? 506 ALA A CA 1 ATOM 1231 C C . ALA A 1 165 ? 15.830 -18.815 17.157 1.00 19.91 ? 506 ALA A C 1 ATOM 1232 O O . ALA A 1 165 ? 16.464 -19.875 17.116 1.00 19.95 ? 506 ALA A O 1 ATOM 1233 C CB . ALA A 1 165 ? 14.830 -18.707 14.865 1.00 19.41 ? 506 ALA A CB 1 ATOM 1234 N N . GLY A 1 166 ? 16.227 -17.765 17.869 1.00 20.33 ? 507 GLY A N 1 ATOM 1235 C CA . GLY A 1 166 ? 17.500 -17.768 18.590 1.00 21.28 ? 507 GLY A CA 1 ATOM 1236 C C . GLY A 1 166 ? 18.721 -17.757 17.685 1.00 22.14 ? 507 GLY A C 1 ATOM 1237 O O . GLY A 1 166 ? 18.635 -17.378 16.514 1.00 21.55 ? 507 GLY A O 1 ATOM 1238 N N . ASP A 1 167 ? 19.859 -18.183 18.236 1.00 23.37 ? 508 ASP A N 1 ATOM 1239 C CA . ASP A 1 167 ? 21.140 -18.155 17.520 1.00 25.01 ? 508 ASP A CA 1 ATOM 1240 C C . ASP A 1 167 ? 21.352 -19.432 16.697 1.00 26.28 ? 508 ASP A C 1 ATOM 1241 O O . ASP A 1 167 ? 20.451 -20.269 16.629 1.00 26.47 ? 508 ASP A O 1 ATOM 1242 C CB . ASP A 1 167 ? 22.308 -17.897 18.493 1.00 24.89 ? 508 ASP A CB 1 ATOM 1243 C CG . ASP A 1 167 ? 22.554 -19.053 19.467 1.00 24.76 ? 508 ASP A CG 1 ATOM 1244 O OD1 . ASP A 1 167 ? 22.023 -20.168 19.270 1.00 24.83 ? 508 ASP A OD1 1 ATOM 1245 O OD2 . ASP A 1 167 ? 23.306 -18.839 20.441 1.00 25.15 ? 508 ASP A OD2 1 ATOM 1246 N N . ASP A 1 168 ? 22.518 -19.589 16.069 1.00 27.98 ? 509 ASP A N 1 ATOM 1247 C CA . ASP A 1 168 ? 22.740 -20.764 15.208 1.00 29.53 ? 509 ASP A CA 1 ATOM 1248 C C . ASP A 1 168 ? 22.623 -22.098 15.948 1.00 30.00 ? 509 ASP A C 1 ATOM 1249 O O . ASP A 1 168 ? 22.260 -23.112 15.347 1.00 30.42 ? 509 ASP A O 1 ATOM 1250 C CB . ASP A 1 168 ? 24.048 -20.679 14.399 1.00 29.94 ? 509 ASP A CB 1 ATOM 1251 C CG . ASP A 1 168 ? 25.178 -20.007 15.155 1.00 31.14 ? 509 ASP A CG 1 ATOM 1252 O OD1 . ASP A 1 168 ? 25.423 -20.361 16.329 1.00 32.85 ? 509 ASP A OD1 1 ATOM 1253 O OD2 . ASP A 1 168 ? 25.835 -19.127 14.559 1.00 33.01 ? 509 ASP A OD2 1 ATOM 1254 N N . GLN A 1 169 ? 22.904 -22.088 17.249 1.00 30.39 ? 510 GLN A N 1 ATOM 1255 C CA . GLN A 1 169 ? 22.755 -23.280 18.084 1.00 30.56 ? 510 GLN A CA 1 ATOM 1256 C C . GLN A 1 169 ? 21.319 -23.427 18.588 1.00 30.09 ? 510 GLN A C 1 ATOM 1257 O O . GLN A 1 169 ? 20.998 -24.384 19.295 1.00 30.32 ? 510 GLN A O 1 ATOM 1258 C CB . GLN A 1 169 ? 23.718 -23.219 19.271 1.00 30.86 ? 510 GLN A CB 1 ATOM 1259 C CG . GLN A 1 169 ? 25.115 -22.738 18.913 1.00 32.12 ? 510 GLN A CG 1 ATOM 1260 C CD . GLN A 1 169 ? 25.741 -21.928 20.026 1.00 33.87 ? 510 GLN A CD 1 ATOM 1261 O OE1 . GLN A 1 169 ? 25.700 -20.696 20.011 1.00 34.51 ? 510 GLN A OE1 1 ATOM 1262 N NE2 . GLN A 1 169 ? 26.312 -22.615 21.009 1.00 34.55 ? 510 GLN A NE2 1 ATOM 1263 N N . GLY A 1 170 ? 20.463 -22.475 18.224 1.00 29.35 ? 511 GLY A N 1 ATOM 1264 C CA . GLY A 1 170 ? 19.070 -22.468 18.665 1.00 28.18 ? 511 GLY A CA 1 ATOM 1265 C C . GLY A 1 170 ? 18.896 -22.039 20.111 1.00 27.33 ? 511 GLY A C 1 ATOM 1266 O O . GLY A 1 170 ? 17.860 -22.311 20.721 1.00 27.51 ? 511 GLY A O 1 ATOM 1267 N N . LEU A 1 171 ? 19.916 -21.376 20.658 1.00 26.20 ? 512 LEU A N 1 ATOM 1268 C CA . LEU A 1 171 ? 19.877 -20.827 22.013 1.00 25.08 ? 512 LEU A CA 1 ATOM 1269 C C . LEU A 1 171 ? 19.503 -19.352 21.949 1.00 24.10 ? 512 LEU A C 1 ATOM 1270 O O . LEU A 1 171 ? 19.524 -18.760 20.869 1.00 23.80 ? 512 LEU A O 1 ATOM 1271 C CB . LEU A 1 171 ? 21.239 -20.983 22.701 1.00 25.33 ? 512 LEU A CB 1 ATOM 1272 C CG . LEU A 1 171 ? 21.893 -22.368 22.775 1.00 25.81 ? 512 LEU A CG 1 ATOM 1273 C CD1 . LEU A 1 171 ? 23.069 -22.327 23.736 1.00 26.29 ? 512 LEU A CD1 1 ATOM 1274 C CD2 . LEU A 1 171 ? 20.900 -23.445 23.197 1.00 26.10 ? 512 LEU A CD2 1 ATOM 1275 N N . ASP A 1 172 ? 19.162 -18.768 23.098 1.00 22.90 ? 513 ASP A N 1 ATOM 1276 C CA . ASP A 1 172 ? 18.845 -17.338 23.196 1.00 21.95 ? 513 ASP A CA 1 ATOM 1277 C C . ASP A 1 172 ? 17.625 -16.932 22.362 1.00 21.00 ? 513 ASP A C 1 ATOM 1278 O O . ASP A 1 172 ? 17.575 -15.821 21.821 1.00 20.57 ? 513 ASP A O 1 ATOM 1279 C CB . ASP A 1 172 ? 20.065 -16.485 22.809 1.00 22.33 ? 513 ASP A CB 1 ATOM 1280 C CG . ASP A 1 172 ? 21.230 -16.640 23.776 1.00 23.71 ? 513 ASP A CG 1 ATOM 1281 O OD1 . ASP A 1 172 ? 21.147 -17.467 24.713 1.00 26.00 ? 513 ASP A OD1 1 ATOM 1282 O OD2 . ASP A 1 172 ? 22.241 -15.927 23.596 1.00 25.70 ? 513 ASP A OD2 1 ATOM 1283 N N . LYS A 1 173 ? 16.646 -17.829 22.258 1.00 19.88 ? 514 LYS A N 1 ATOM 1284 C CA . LYS A 1 173 ? 15.406 -17.526 21.550 1.00 19.11 ? 514 LYS A CA 1 ATOM 1285 C C . LYS A 1 173 ? 14.797 -16.257 22.122 1.00 18.26 ? 514 LYS A C 1 ATOM 1286 O O . LYS A 1 173 ? 14.620 -16.136 23.335 1.00 17.93 ? 514 LYS A O 1 ATOM 1287 C CB . LYS A 1 173 ? 14.414 -18.683 21.677 1.00 19.47 ? 514 LYS A CB 1 ATOM 1288 C CG . LYS A 1 173 ? 13.122 -18.523 20.888 1.00 21.04 ? 514 LYS A CG 1 ATOM 1289 C CD . LYS A 1 173 ? 12.080 -19.505 21.406 1.00 23.51 ? 514 LYS A CD 1 ATOM 1290 C CE . LYS A 1 173 ? 11.252 -20.106 20.283 1.00 24.89 ? 514 LYS A CE 1 ATOM 1291 N NZ . LYS A 1 173 ? 10.141 -19.222 19.862 1.00 25.99 ? 514 LYS A NZ 1 ATOM 1292 N N . CYS A 1 174 ? 14.505 -15.307 21.239 1.00 17.54 ? 515 CYS A N 1 ATOM 1293 C CA . CYS A 1 174 ? 13.806 -14.074 21.601 1.00 16.93 ? 515 CYS A CA 1 ATOM 1294 C C . CYS A 1 174 ? 14.645 -13.054 22.383 1.00 16.71 ? 515 CYS A C 1 ATOM 1295 O O . CYS A 1 174 ? 14.100 -12.055 22.850 1.00 16.38 ? 515 CYS A O 1 ATOM 1296 C CB . CYS A 1 174 ? 12.502 -14.383 22.357 1.00 16.99 ? 515 CYS A CB 1 ATOM 1297 S SG . CYS A 1 174 ? 11.145 -13.232 22.024 1.00 16.49 ? 515 CYS A SG 1 ATOM 1298 N N . VAL A 1 175 ? 15.952 -13.278 22.526 1.00 16.49 ? 516 VAL A N 1 ATOM 1299 C CA . VAL A 1 175 ? 16.790 -12.255 23.169 1.00 16.52 ? 516 VAL A CA 1 ATOM 1300 C C . VAL A 1 175 ? 16.782 -10.989 22.320 1.00 16.07 ? 516 VAL A C 1 ATOM 1301 O O . VAL A 1 175 ? 16.861 -11.069 21.091 1.00 15.85 ? 516 VAL A O 1 ATOM 1302 C CB . VAL A 1 175 ? 18.261 -12.692 23.434 1.00 16.67 ? 516 VAL A CB 1 ATOM 1303 C CG1 . VAL A 1 175 ? 18.314 -13.830 24.449 1.00 17.68 ? 516 VAL A CG1 1 ATOM 1304 C CG2 . VAL A 1 175 ? 19.006 -13.034 22.136 1.00 17.13 ? 516 VAL A CG2 1 ATOM 1305 N N . PRO A 1 176 ? 16.670 -9.816 22.965 1.00 15.74 ? 517 PRO A N 1 ATOM 1306 C CA . PRO A 1 176 ? 16.682 -8.604 22.152 1.00 15.52 ? 517 PRO A CA 1 ATOM 1307 C C . PRO A 1 176 ? 18.100 -8.130 21.818 1.00 15.40 ? 517 PRO A C 1 ATOM 1308 O O . PRO A 1 176 ? 18.510 -7.027 22.198 1.00 15.33 ? 517 PRO A O 1 ATOM 1309 C CB . PRO A 1 176 ? 15.934 -7.596 23.025 1.00 15.61 ? 517 PRO A CB 1 ATOM 1310 C CG . PRO A 1 176 ? 16.249 -8.019 24.420 1.00 15.59 ? 517 PRO A CG 1 ATOM 1311 C CD . PRO A 1 176 ? 16.434 -9.521 24.392 1.00 15.78 ? 517 PRO A CD 1 ATOM 1312 N N . ASN A 1 177 ? 18.842 -8.974 21.110 1.00 15.12 ? 518 ASN A N 1 ATOM 1313 C CA . ASN A 1 177 ? 20.119 -8.588 20.532 1.00 15.22 ? 518 ASN A CA 1 ATOM 1314 C C . ASN A 1 177 ? 20.347 -9.378 19.247 1.00 15.41 ? 518 ASN A C 1 ATOM 1315 O O . ASN A 1 177 ? 19.559 -10.275 18.927 1.00 15.11 ? 518 ASN A O 1 ATOM 1316 C CB . ASN A 1 177 ? 21.278 -8.699 21.550 1.00 15.07 ? 518 ASN A CB 1 ATOM 1317 C CG . ASN A 1 177 ? 21.665 -10.138 21.873 1.00 15.80 ? 518 ASN A CG 1 ATOM 1318 O OD1 . ASN A 1 177 ? 21.789 -10.980 20.984 1.00 16.52 ? 518 ASN A OD1 1 ATOM 1319 N ND2 . ASN A 1 177 ? 21.892 -10.413 23.151 1.00 15.83 ? 518 ASN A ND2 1 ATOM 1320 N N . SER A 1 178 ? 21.407 -9.042 18.515 1.00 15.85 ? 519 SER A N 1 ATOM 1321 C CA . SER A 1 178 ? 21.598 -9.559 17.156 1.00 16.74 ? 519 SER A CA 1 ATOM 1322 C C . SER A 1 178 ? 21.833 -11.072 17.076 1.00 17.30 ? 519 SER A C 1 ATOM 1323 O O . SER A 1 178 ? 21.866 -11.631 15.978 1.00 17.57 ? 519 SER A O 1 ATOM 1324 C CB . SER A 1 178 ? 22.715 -8.794 16.439 1.00 16.54 ? 519 SER A CB 1 ATOM 1325 O OG . SER A 1 178 ? 23.981 -9.069 17.015 1.00 16.99 ? 519 SER A OG 1 ATOM 1326 N N . LYS A 1 179 ? 21.983 -11.731 18.225 1.00 17.78 ? 520 LYS A N 1 ATOM 1327 C CA . LYS A 1 179 ? 22.123 -13.190 18.247 1.00 18.28 ? 520 LYS A CA 1 ATOM 1328 C C . LYS A 1 179 ? 20.830 -13.888 17.860 1.00 17.84 ? 520 LYS A C 1 ATOM 1329 O O . LYS A 1 179 ? 20.857 -14.976 17.281 1.00 18.32 ? 520 LYS A O 1 ATOM 1330 C CB . LYS A 1 179 ? 22.615 -13.696 19.604 1.00 18.68 ? 520 LYS A CB 1 ATOM 1331 C CG . LYS A 1 179 ? 24.074 -13.369 19.896 1.00 20.31 ? 520 LYS A CG 1 ATOM 1332 C CD . LYS A 1 179 ? 25.016 -13.717 18.731 1.00 22.89 ? 520 LYS A CD 1 ATOM 1333 C CE . LYS A 1 179 ? 25.307 -15.214 18.642 1.00 24.27 ? 520 LYS A CE 1 ATOM 1334 N NZ . LYS A 1 179 ? 26.249 -15.527 17.529 1.00 25.89 ? 520 LYS A NZ 1 ATOM 1335 N N . GLU A 1 180 ? 19.704 -13.264 18.191 1.00 17.16 ? 521 GLU A N 1 ATOM 1336 C CA . GLU A 1 180 ? 18.404 -13.728 17.729 1.00 16.42 ? 521 GLU A CA 1 ATOM 1337 C C . GLU A 1 180 ? 18.317 -13.504 16.219 1.00 16.01 ? 521 GLU A C 1 ATOM 1338 O O . GLU A 1 180 ? 18.482 -12.383 15.737 1.00 15.66 ? 521 GLU A O 1 ATOM 1339 C CB . GLU A 1 180 ? 17.276 -13.005 18.479 1.00 16.48 ? 521 GLU A CB 1 ATOM 1340 C CG . GLU A 1 180 ? 15.899 -13.062 17.818 1.00 16.30 ? 521 GLU A CG 1 ATOM 1341 C CD . GLU A 1 180 ? 15.378 -14.479 17.632 1.00 16.43 ? 521 GLU A CD 1 ATOM 1342 O OE1 . GLU A 1 180 ? 15.366 -15.250 18.617 1.00 16.24 ? 521 GLU A OE1 1 ATOM 1343 O OE2 . GLU A 1 180 ? 14.972 -14.814 16.501 1.00 15.27 ? 521 GLU A OE2 1 ATOM 1344 N N . LYS A 1 181 ? 18.078 -14.588 15.482 1.00 15.72 ? 522 LYS A N 1 ATOM 1345 C CA . LYS A 1 181 ? 18.011 -14.561 14.018 1.00 15.58 ? 522 LYS A CA 1 ATOM 1346 C C . LYS A 1 181 ? 17.078 -13.465 13.489 1.00 14.95 ? 522 LYS A C 1 ATOM 1347 O O . LYS A 1 181 ? 17.384 -12.801 12.494 1.00 15.06 ? 522 LYS A O 1 ATOM 1348 C CB . LYS A 1 181 ? 17.569 -15.935 13.496 1.00 15.89 ? 522 LYS A CB 1 ATOM 1349 C CG . LYS A 1 181 ? 17.510 -16.067 11.974 1.00 17.57 ? 522 LYS A CG 1 ATOM 1350 C CD . LYS A 1 181 ? 16.906 -17.407 11.548 1.00 20.35 ? 522 LYS A CD 1 ATOM 1351 C CE . LYS A 1 181 ? 17.972 -18.475 11.337 1.00 22.10 ? 522 LYS A CE 1 ATOM 1352 N NZ . LYS A 1 181 ? 17.382 -19.743 10.811 1.00 23.38 ? 522 LYS A NZ 1 ATOM 1353 N N . TYR A 1 182 ? 15.948 -13.277 14.165 1.00 14.12 ? 523 TYR A N 1 ATOM 1354 C CA . TYR A 1 182 ? 14.930 -12.341 13.706 1.00 13.60 ? 523 TYR A CA 1 ATOM 1355 C C . TYR A 1 182 ? 14.922 -11.016 14.470 1.00 13.17 ? 523 TYR A C 1 ATOM 1356 O O . TYR A 1 182 ? 13.925 -10.294 14.467 1.00 13.29 ? 523 TYR A O 1 ATOM 1357 C CB . TYR A 1 182 ? 13.550 -13.003 13.710 1.00 13.52 ? 523 TYR A CB 1 ATOM 1358 C CG . TYR A 1 182 ? 13.484 -14.237 12.836 1.00 14.16 ? 523 TYR A CG 1 ATOM 1359 C CD1 . TYR A 1 182 ? 14.055 -14.241 11.563 1.00 15.00 ? 523 TYR A CD1 1 ATOM 1360 C CD2 . TYR A 1 182 ? 12.854 -15.397 13.281 1.00 15.58 ? 523 TYR A CD2 1 ATOM 1361 C CE1 . TYR A 1 182 ? 14.000 -15.367 10.752 1.00 16.60 ? 523 TYR A CE1 1 ATOM 1362 C CE2 . TYR A 1 182 ? 12.792 -16.534 12.473 1.00 16.63 ? 523 TYR A CE2 1 ATOM 1363 C CZ . TYR A 1 182 ? 13.369 -16.509 11.214 1.00 17.27 ? 523 TYR A CZ 1 ATOM 1364 O OH . TYR A 1 182 ? 13.315 -17.629 10.416 1.00 19.13 ? 523 TYR A OH 1 ATOM 1365 N N . TYR A 1 183 ? 16.051 -10.684 15.093 1.00 12.77 ? 524 TYR A N 1 ATOM 1366 C CA . TYR A 1 183 ? 16.177 -9.415 15.805 1.00 12.41 ? 524 TYR A CA 1 ATOM 1367 C C . TYR A 1 183 ? 16.406 -8.225 14.876 1.00 12.34 ? 524 TYR A C 1 ATOM 1368 O O . TYR A 1 183 ? 17.130 -8.328 13.884 1.00 12.36 ? 524 TYR A O 1 ATOM 1369 C CB . TYR A 1 183 ? 17.323 -9.463 16.823 1.00 12.26 ? 524 TYR A CB 1 ATOM 1370 C CG . TYR A 1 183 ? 17.519 -8.137 17.524 1.00 12.09 ? 524 TYR A CG 1 ATOM 1371 C CD1 . TYR A 1 183 ? 16.635 -7.729 18.521 1.00 11.69 ? 524 TYR A CD1 1 ATOM 1372 C CD2 . TYR A 1 183 ? 18.557 -7.271 17.165 1.00 11.97 ? 524 TYR A CD2 1 ATOM 1373 C CE1 . TYR A 1 183 ? 16.784 -6.503 19.157 1.00 13.16 ? 524 TYR A CE1 1 ATOM 1374 C CE2 . TYR A 1 183 ? 18.715 -6.035 17.802 1.00 12.38 ? 524 TYR A CE2 1 ATOM 1375 C CZ . TYR A 1 183 ? 17.824 -5.666 18.799 1.00 12.95 ? 524 TYR A CZ 1 ATOM 1376 O OH . TYR A 1 183 ? 17.959 -4.452 19.437 1.00 14.67 ? 524 TYR A OH 1 ATOM 1377 N N . GLY A 1 184 ? 15.820 -7.085 15.236 1.00 12.26 ? 525 GLY A N 1 ATOM 1378 C CA . GLY A 1 184 ? 16.135 -5.808 14.592 1.00 12.26 ? 525 GLY A CA 1 ATOM 1379 C C . GLY A 1 184 ? 15.445 -5.626 13.258 1.00 12.31 ? 525 GLY A C 1 ATOM 1380 O O . GLY A 1 184 ? 14.599 -6.436 12.877 1.00 12.06 ? 525 GLY A O 1 ATOM 1381 N N . TYR A 1 185 ? 15.799 -4.561 12.542 1.00 12.34 ? 526 TYR A N 1 ATOM 1382 C CA . TYR A 1 185 ? 15.211 -4.318 11.224 1.00 12.81 ? 526 TYR A CA 1 ATOM 1383 C C . TYR A 1 185 ? 15.417 -5.492 10.277 1.00 13.11 ? 526 TYR A C 1 ATOM 1384 O O . TYR A 1 185 ? 14.461 -5.988 9.679 1.00 13.33 ? 526 TYR A O 1 ATOM 1385 C CB . TYR A 1 185 ? 15.793 -3.070 10.572 1.00 12.54 ? 526 TYR A CB 1 ATOM 1386 C CG . TYR A 1 185 ? 15.487 -1.772 11.270 1.00 12.65 ? 526 TYR A CG 1 ATOM 1387 C CD1 . TYR A 1 185 ? 14.173 -1.334 11.441 1.00 11.84 ? 526 TYR A CD1 1 ATOM 1388 C CD2 . TYR A 1 185 ? 16.523 -0.960 11.722 1.00 12.15 ? 526 TYR A CD2 1 ATOM 1389 C CE1 . TYR A 1 185 ? 13.901 -0.125 12.068 1.00 12.36 ? 526 TYR A CE1 1 ATOM 1390 C CE2 . TYR A 1 185 ? 16.265 0.242 12.351 1.00 12.42 ? 526 TYR A CE2 1 ATOM 1391 C CZ . TYR A 1 185 ? 14.959 0.656 12.518 1.00 13.22 ? 526 TYR A CZ 1 ATOM 1392 O OH . TYR A 1 185 ? 14.725 1.858 13.136 1.00 13.14 ? 526 TYR A OH 1 ATOM 1393 N N . THR A 1 186 ? 16.667 -5.924 10.144 1.00 13.82 ? 527 THR A N 1 ATOM 1394 C CA . THR A 1 186 ? 17.025 -6.977 9.198 1.00 14.69 ? 527 THR A CA 1 ATOM 1395 C C . THR A 1 186 ? 16.407 -8.318 9.606 1.00 14.40 ? 527 THR A C 1 ATOM 1396 O O . THR A 1 186 ? 15.865 -9.035 8.765 1.00 14.53 ? 527 THR A O 1 ATOM 1397 C CB . THR A 1 186 ? 18.558 -7.075 9.030 1.00 14.80 ? 527 THR A CB 1 ATOM 1398 O OG1 . THR A 1 186 ? 19.073 -5.790 8.661 1.00 17.33 ? 527 THR A OG1 1 ATOM 1399 C CG2 . THR A 1 186 ? 18.926 -8.061 7.941 1.00 15.89 ? 527 THR A CG2 1 ATOM 1400 N N . GLY A 1 187 ? 16.472 -8.637 10.896 1.00 14.11 ? 528 GLY A N 1 ATOM 1401 C CA . GLY A 1 187 ? 15.868 -9.863 11.422 1.00 13.78 ? 528 GLY A CA 1 ATOM 1402 C C . GLY A 1 187 ? 14.361 -9.950 11.241 1.00 13.67 ? 528 GLY A C 1 ATOM 1403 O O . GLY A 1 187 ? 13.839 -10.992 10.839 1.00 13.65 ? 528 GLY A O 1 ATOM 1404 N N . ALA A 1 188 ? 13.658 -8.857 11.533 1.00 13.34 ? 529 ALA A N 1 ATOM 1405 C CA . ALA A 1 188 ? 12.211 -8.822 11.362 1.00 13.32 ? 529 ALA A CA 1 ATOM 1406 C C . ALA A 1 188 ? 11.830 -8.942 9.888 1.00 13.42 ? 529 ALA A C 1 ATOM 1407 O O . ALA A 1 188 ? 10.866 -9.632 9.554 1.00 13.38 ? 529 ALA A O 1 ATOM 1408 C CB . ALA A 1 188 ? 11.607 -7.562 11.989 1.00 13.29 ? 529 ALA A CB 1 ATOM 1409 N N . PHE A 1 189 ? 12.596 -8.295 9.010 1.00 13.54 ? 530 PHE A N 1 ATOM 1410 C CA . PHE A 1 189 ? 12.363 -8.432 7.570 1.00 13.98 ? 530 PHE A CA 1 ATOM 1411 C C . PHE A 1 189 ? 12.670 -9.852 7.092 1.00 14.24 ? 530 PHE A C 1 ATOM 1412 O O . PHE A 1 189 ? 11.953 -10.393 6.248 1.00 14.33 ? 530 PHE A O 1 ATOM 1413 C CB . PHE A 1 189 ? 13.158 -7.406 6.761 1.00 14.19 ? 530 PHE A CB 1 ATOM 1414 C CG . PHE A 1 189 ? 12.813 -7.399 5.293 1.00 14.49 ? 530 PHE A CG 1 ATOM 1415 C CD1 . PHE A 1 189 ? 11.534 -7.046 4.872 1.00 15.42 ? 530 PHE A CD1 1 ATOM 1416 C CD2 . PHE A 1 189 ? 13.760 -7.752 4.339 1.00 15.82 ? 530 PHE A CD2 1 ATOM 1417 C CE1 . PHE A 1 189 ? 11.204 -7.041 3.519 1.00 15.39 ? 530 PHE A CE1 1 ATOM 1418 C CE2 . PHE A 1 189 ? 13.438 -7.748 2.984 1.00 16.14 ? 530 PHE A CE2 1 ATOM 1419 C CZ . PHE A 1 189 ? 12.159 -7.391 2.576 1.00 15.80 ? 530 PHE A CZ 1 ATOM 1420 N N . ARG A 1 190 ? 13.724 -10.453 7.641 1.00 14.37 ? 531 ARG A N 1 ATOM 1421 C CA . ARG A 1 190 ? 14.045 -11.851 7.352 1.00 14.75 ? 531 ARG A CA 1 ATOM 1422 C C . ARG A 1 190 ? 12.914 -12.786 7.782 1.00 14.87 ? 531 ARG A C 1 ATOM 1423 O O . ARG A 1 190 ? 12.579 -13.739 7.070 1.00 14.98 ? 531 ARG A O 1 ATOM 1424 C CB . ARG A 1 190 ? 15.354 -12.256 8.030 1.00 14.82 ? 531 ARG A CB 1 ATOM 1425 C CG . ARG A 1 190 ? 15.748 -13.695 7.756 1.00 15.63 ? 531 ARG A CG 1 ATOM 1426 C CD . ARG A 1 190 ? 17.061 -14.034 8.401 1.00 17.25 ? 531 ARG A CD 1 ATOM 1427 N NE . ARG A 1 190 ? 17.478 -15.380 8.024 1.00 19.10 ? 531 ARG A NE 1 ATOM 1428 C CZ . ARG A 1 190 ? 18.678 -15.892 8.271 1.00 20.05 ? 531 ARG A CZ 1 ATOM 1429 N NH1 . ARG A 1 190 ? 19.596 -15.175 8.908 1.00 20.05 ? 531 ARG A NH1 1 ATOM 1430 N NH2 . ARG A 1 190 ? 18.959 -17.129 7.881 1.00 20.78 ? 531 ARG A NH2 1 ATOM 1431 N N . CYS A 1 191 ? 12.331 -12.499 8.945 1.00 15.02 ? 532 CYS A N 1 ATOM 1432 C CA . CYS A 1 191 ? 11.190 -13.242 9.475 1.00 15.23 ? 532 CYS A CA 1 ATOM 1433 C C . CYS A 1 191 ? 10.013 -13.232 8.483 1.00 15.40 ? 532 CYS A C 1 ATOM 1434 O O . CYS A 1 191 ? 9.340 -14.249 8.304 1.00 15.26 ? 532 CYS A O 1 ATOM 1435 C CB . CYS A 1 191 ? 10.814 -12.689 10.862 1.00 15.03 ? 532 CYS A CB 1 ATOM 1436 S SG . CYS A 1 191 ? 9.257 -13.204 11.590 1.00 15.61 ? 532 CYS A SG 1 ATOM 1437 N N . LEU A 1 192 ? 9.796 -12.096 7.819 1.00 15.64 ? 533 LEU A N 1 ATOM 1438 C CA . LEU A 1 192 ? 8.812 -12.009 6.734 1.00 16.20 ? 533 LEU A CA 1 ATOM 1439 C C . LEU A 1 192 ? 9.272 -12.717 5.456 1.00 16.58 ? 533 LEU A C 1 ATOM 1440 O O . LEU A 1 192 ? 8.505 -13.477 4.854 1.00 16.86 ? 533 LEU A O 1 ATOM 1441 C CB . LEU A 1 192 ? 8.472 -10.546 6.415 1.00 15.99 ? 533 LEU A CB 1 ATOM 1442 C CG . LEU A 1 192 ? 7.590 -10.283 5.184 1.00 16.32 ? 533 LEU A CG 1 ATOM 1443 C CD1 . LEU A 1 192 ? 6.155 -10.728 5.427 1.00 16.06 ? 533 LEU A CD1 1 ATOM 1444 C CD2 . LEU A 1 192 ? 7.629 -8.817 4.797 1.00 16.04 ? 533 LEU A CD2 1 ATOM 1445 N N . ALA A 1 193 ? 10.511 -12.450 5.044 1.00 17.28 ? 534 ALA A N 1 ATOM 1446 C CA . ALA A 1 193 ? 11.068 -12.997 3.803 1.00 17.68 ? 534 ALA A CA 1 ATOM 1447 C C . ALA A 1 193 ? 11.009 -14.521 3.780 1.00 18.13 ? 534 ALA A C 1 ATOM 1448 O O . ALA A 1 193 ? 10.732 -15.126 2.741 1.00 18.33 ? 534 ALA A O 1 ATOM 1449 C CB . ALA A 1 193 ? 12.494 -12.521 3.605 1.00 17.73 ? 534 ALA A CB 1 ATOM 1450 N N . GLU A 1 194 ? 11.256 -15.130 4.936 1.00 18.29 ? 535 GLU A N 1 ATOM 1451 C CA . GLU A 1 194 ? 11.235 -16.585 5.068 1.00 18.73 ? 535 GLU A CA 1 ATOM 1452 C C . GLU A 1 194 ? 9.830 -17.143 5.323 1.00 18.84 ? 535 GLU A C 1 ATOM 1453 O O . GLU A 1 194 ? 9.663 -18.353 5.512 1.00 18.79 ? 535 GLU A O 1 ATOM 1454 C CB . GLU A 1 194 ? 12.222 -17.032 6.154 1.00 18.70 ? 535 GLU A CB 1 ATOM 1455 C CG . GLU A 1 194 ? 13.675 -16.764 5.777 1.00 19.53 ? 535 GLU A CG 1 ATOM 1456 C CD . GLU A 1 194 ? 14.680 -17.172 6.843 1.00 20.24 ? 535 GLU A CD 1 ATOM 1457 O OE1 . GLU A 1 194 ? 14.280 -17.506 7.978 1.00 22.13 ? 535 GLU A OE1 1 ATOM 1458 O OE2 . GLU A 1 194 ? 15.888 -17.152 6.534 1.00 21.47 ? 535 GLU A OE2 1 ATOM 1459 N N . ASP A 1 195 ? 8.831 -16.257 5.311 1.00 18.96 ? 536 ASP A N 1 ATOM 1460 C CA . ASP A 1 195 ? 7.419 -16.602 5.555 1.00 19.22 ? 536 ASP A CA 1 ATOM 1461 C C . ASP A 1 195 ? 7.159 -17.241 6.922 1.00 18.92 ? 536 ASP A C 1 ATOM 1462 O O . ASP A 1 195 ? 6.257 -18.065 7.078 1.00 19.08 ? 536 ASP A O 1 ATOM 1463 C CB . ASP A 1 195 ? 6.847 -17.466 4.418 1.00 19.49 ? 536 ASP A CB 1 ATOM 1464 C CG . ASP A 1 195 ? 6.736 -16.708 3.109 1.00 20.74 ? 536 ASP A CG 1 ATOM 1465 O OD1 . ASP A 1 195 ? 6.291 -15.540 3.121 1.00 21.91 ? 536 ASP A OD1 1 ATOM 1466 O OD2 . ASP A 1 195 ? 7.093 -17.286 2.059 1.00 22.55 ? 536 ASP A OD2 1 ATOM 1467 N N . VAL A 1 196 ? 7.960 -16.850 7.908 1.00 18.48 ? 537 VAL A N 1 ATOM 1468 C CA . VAL A 1 196 ? 7.724 -17.240 9.293 1.00 17.86 ? 537 VAL A CA 1 ATOM 1469 C C . VAL A 1 196 ? 6.568 -16.389 9.823 1.00 17.40 ? 537 VAL A C 1 ATOM 1470 O O . VAL A 1 196 ? 5.685 -16.881 10.531 1.00 17.34 ? 537 VAL A O 1 ATOM 1471 C CB . VAL A 1 196 ? 9.013 -17.082 10.145 1.00 17.89 ? 537 VAL A CB 1 ATOM 1472 C CG1 . VAL A 1 196 ? 8.728 -17.284 11.626 1.00 17.83 ? 537 VAL A CG1 1 ATOM 1473 C CG2 . VAL A 1 196 ? 10.085 -18.061 9.671 1.00 18.20 ? 537 VAL A CG2 1 ATOM 1474 N N . GLY A 1 197 ? 6.573 -15.113 9.448 1.00 16.93 ? 538 GLY A N 1 ATOM 1475 C CA . GLY A 1 197 ? 5.485 -14.203 9.770 1.00 16.41 ? 538 GLY A CA 1 ATOM 1476 C C . GLY A 1 197 ? 4.769 -13.724 8.522 1.00 16.01 ? 538 GLY A C 1 ATOM 1477 O O . GLY A 1 197 ? 5.303 -13.815 7.412 1.00 16.35 ? 538 GLY A O 1 ATOM 1478 N N . ASP A 1 198 ? 3.558 -13.213 8.721 1.00 15.68 ? 539 ASP A N 1 ATOM 1479 C CA . ASP A 1 198 ? 2.747 -12.630 7.655 1.00 15.61 ? 539 ASP A CA 1 ATOM 1480 C C . ASP A 1 198 ? 3.083 -11.159 7.425 1.00 15.30 ? 539 ASP A C 1 ATOM 1481 O O . ASP A 1 198 ? 2.918 -10.641 6.318 1.00 15.06 ? 539 ASP A O 1 ATOM 1482 C CB . ASP A 1 198 ? 1.264 -12.733 8.011 1.00 15.80 ? 539 ASP A CB 1 ATOM 1483 C CG . ASP A 1 198 ? 0.777 -14.167 8.110 1.00 16.91 ? 539 ASP A CG 1 ATOM 1484 O OD1 . ASP A 1 198 ? 0.947 -14.925 7.133 1.00 18.96 ? 539 ASP A OD1 1 ATOM 1485 O OD2 . ASP A 1 198 ? 0.203 -14.526 9.161 1.00 16.71 ? 539 ASP A OD2 1 ATOM 1486 N N . VAL A 1 199 ? 3.530 -10.487 8.484 1.00 15.23 ? 540 VAL A N 1 ATOM 1487 C CA . VAL A 1 199 ? 3.797 -9.049 8.444 1.00 15.06 ? 540 VAL A CA 1 ATOM 1488 C C . VAL A 1 199 ? 5.066 -8.718 9.229 1.00 14.91 ? 540 VAL A C 1 ATOM 1489 O O . VAL A 1 199 ? 5.323 -9.313 10.277 1.00 15.03 ? 540 VAL A O 1 ATOM 1490 C CB . VAL A 1 199 ? 2.574 -8.226 8.972 1.00 15.07 ? 540 VAL A CB 1 ATOM 1491 C CG1 . VAL A 1 199 ? 2.222 -8.595 10.421 1.00 15.45 ? 540 VAL A CG1 1 ATOM 1492 C CG2 . VAL A 1 199 ? 2.806 -6.715 8.828 1.00 15.35 ? 540 VAL A CG2 1 ATOM 1493 N N . ALA A 1 200 ? 5.865 -7.794 8.697 1.00 14.68 ? 541 ALA A N 1 ATOM 1494 C CA . ALA A 1 200 ? 7.025 -7.269 9.411 1.00 14.06 ? 541 ALA A CA 1 ATOM 1495 C C . ALA A 1 200 ? 6.836 -5.786 9.686 1.00 14.08 ? 541 ALA A C 1 ATOM 1496 O O . ALA A 1 200 ? 6.408 -5.028 8.810 1.00 13.78 ? 541 ALA A O 1 ATOM 1497 C CB . ALA A 1 200 ? 8.303 -7.507 8.621 1.00 14.22 ? 541 ALA A CB 1 ATOM 1498 N N . PHE A 1 201 ? 7.158 -5.389 10.903 1.00 13.92 ? 542 PHE A N 1 ATOM 1499 C CA . PHE A 1 201 ? 7.121 -3.990 11.256 1.00 13.99 ? 542 PHE A CA 1 ATOM 1500 C C . PHE A 1 201 ? 8.555 -3.484 11.329 1.00 14.01 ? 542 PHE A C 1 ATOM 1501 O O . PHE A 1 201 ? 9.260 -3.724 12.238 1.00 14.09 ? 542 PHE A O 1 ATOM 1502 C CB . PHE A 1 201 ? 6.363 -3.797 12.557 1.00 14.00 ? 542 PHE A CB 1 ATOM 1503 C CG . PHE A 1 201 ? 4.932 -4.249 12.501 1.00 14.50 ? 542 PHE A CG 1 ATOM 1504 C CD1 . PHE A 1 201 ? 3.984 -3.513 11.858 1.00 14.51 ? 542 PHE A CD1 1 ATOM 1505 C CD2 . PHE A 1 201 ? 4.534 -5.392 13.085 1.00 14.28 ? 542 PHE A CD2 1 ATOM 1506 C CE1 . PHE A 1 201 ? 2.677 -3.919 11.803 1.00 14.80 ? 542 PHE A CE1 1 ATOM 1507 C CE2 . PHE A 1 201 ? 3.255 -5.779 13.050 1.00 14.86 ? 542 PHE A CE2 1 ATOM 1508 C CZ . PHE A 1 201 ? 2.305 -5.038 12.413 1.00 14.88 ? 542 PHE A CZ 1 ATOM 1509 N N . VAL A 1 202 ? 8.909 -2.705 10.321 1.00 13.92 ? 543 VAL A N 1 ATOM 1510 C CA . VAL A 1 202 ? 10.227 -2.225 10.084 1.00 13.91 ? 543 VAL A CA 1 ATOM 1511 C C . VAL A 1 202 ? 10.145 -0.824 9.505 1.00 14.33 ? 543 VAL A C 1 ATOM 1512 O O . VAL A 1 202 ? 9.197 -0.163 9.708 1.00 14.19 ? 543 VAL A O 1 ATOM 1513 C CB . VAL A 1 202 ? 11.051 -3.166 9.196 1.00 13.84 ? 543 VAL A CB 1 ATOM 1514 C CG1 . VAL A 1 202 ? 11.201 -4.559 9.861 1.00 13.27 ? 543 VAL A CG1 1 ATOM 1515 C CG2 . VAL A 1 202 ? 10.448 -3.295 7.849 1.00 13.69 ? 543 VAL A CG2 1 ATOM 1516 N N . LYS A 1 203 ? 11.212 -0.397 8.876 1.00 15.04 ? 544 LYS A N 1 ATOM 1517 C CA . LYS A 1 203 ? 11.160 0.909 8.242 1.00 15.92 ? 544 LYS A CA 1 ATOM 1518 C C . LYS A 1 203 ? 11.332 0.767 6.739 1.00 16.66 ? 544 LYS A C 1 ATOM 1519 O O . LYS A 1 203 ? 11.737 -0.295 6.248 1.00 16.66 ? 544 LYS A O 1 ATOM 1520 C CB . LYS A 1 203 ? 12.211 1.847 8.840 1.00 15.84 ? 544 LYS A CB 1 ATOM 1521 C CG . LYS A 1 203 ? 13.628 1.327 8.717 1.00 16.03 ? 544 LYS A CG 1 ATOM 1522 C CD . LYS A 1 203 ? 14.662 2.306 9.235 1.00 16.92 ? 544 LYS A CD 1 ATOM 1523 C CE . LYS A 1 203 ? 16.046 1.720 9.050 1.00 17.07 ? 544 LYS A CE 1 ATOM 1524 N NZ . LYS A 1 203 ? 17.147 2.608 9.526 1.00 17.57 ? 544 LYS A NZ 1 ATOM 1525 N N . ASN A 1 204 ? 11.013 1.832 6.009 1.00 17.54 ? 545 ASN A N 1 ATOM 1526 C CA . ASN A 1 204 ? 11.097 1.802 4.559 1.00 18.61 ? 545 ASN A CA 1 ATOM 1527 C C . ASN A 1 204 ? 12.461 1.318 4.066 1.00 18.59 ? 545 ASN A C 1 ATOM 1528 O O . ASN A 1 204 ? 12.545 0.470 3.174 1.00 18.65 ? 545 ASN A O 1 ATOM 1529 C CB . ASN A 1 204 ? 10.768 3.169 3.951 1.00 18.98 ? 545 ASN A CB 1 ATOM 1530 C CG . ASN A 1 204 ? 11.315 3.306 2.552 1.00 21.57 ? 545 ASN A CG 1 ATOM 1531 O OD1 . ASN A 1 204 ? 10.783 2.722 1.603 1.00 22.29 ? 545 ASN A OD1 1 ATOM 1532 N ND2 . ASN A 1 204 ? 12.398 4.063 2.420 1.00 25.05 ? 545 ASN A ND2 1 ATOM 1533 N N . ASP A 1 205 ? 13.525 1.844 4.668 1.00 18.64 ? 546 ASP A N 1 ATOM 1534 C CA . ASP A 1 205 ? 14.890 1.570 4.218 1.00 18.83 ? 546 ASP A CA 1 ATOM 1535 C C . ASP A 1 205 ? 15.258 0.084 4.234 1.00 18.58 ? 546 ASP A C 1 ATOM 1536 O O . ASP A 1 205 ? 15.989 -0.389 3.360 1.00 18.55 ? 546 ASP A O 1 ATOM 1537 C CB . ASP A 1 205 ? 15.894 2.377 5.043 1.00 19.35 ? 546 ASP A CB 1 ATOM 1538 C CG . ASP A 1 205 ? 15.532 3.848 5.121 1.00 20.89 ? 546 ASP A CG 1 ATOM 1539 O OD1 . ASP A 1 205 ? 14.636 4.205 5.921 1.00 23.61 ? 546 ASP A OD1 1 ATOM 1540 O OD2 . ASP A 1 205 ? 16.142 4.647 4.379 1.00 23.11 ? 546 ASP A OD2 1 ATOM 1541 N N . THR A 1 206 ? 14.742 -0.639 5.225 1.00 18.22 ? 547 THR A N 1 ATOM 1542 C CA . THR A 1 206 ? 15.014 -2.068 5.390 1.00 18.00 ? 547 THR A CA 1 ATOM 1543 C C . THR A 1 206 ? 14.607 -2.873 4.159 1.00 18.61 ? 547 THR A C 1 ATOM 1544 O O . THR A 1 206 ? 15.354 -3.742 3.705 1.00 18.48 ? 547 THR A O 1 ATOM 1545 C CB . THR A 1 206 ? 14.287 -2.626 6.627 1.00 17.87 ? 547 THR A CB 1 ATOM 1546 O OG1 . THR A 1 206 ? 14.518 -1.758 7.741 1.00 16.87 ? 547 THR A OG1 1 ATOM 1547 C CG2 . THR A 1 206 ? 14.783 -4.028 6.964 1.00 16.97 ? 547 THR A CG2 1 ATOM 1548 N N . VAL A 1 207 ? 13.427 -2.569 3.626 1.00 19.33 ? 548 VAL A N 1 ATOM 1549 C CA . VAL A 1 207 ? 12.901 -3.272 2.462 1.00 20.25 ? 548 VAL A CA 1 ATOM 1550 C C . VAL A 1 207 ? 13.861 -3.102 1.282 1.00 20.91 ? 548 VAL A C 1 ATOM 1551 O O . VAL A 1 207 ? 14.230 -4.079 0.634 1.00 21.11 ? 548 VAL A O 1 ATOM 1552 C CB . VAL A 1 207 ? 11.471 -2.795 2.100 1.00 20.14 ? 548 VAL A CB 1 ATOM 1553 C CG1 . VAL A 1 207 ? 10.898 -3.626 0.955 1.00 20.48 ? 548 VAL A CG1 1 ATOM 1554 C CG2 . VAL A 1 207 ? 10.558 -2.881 3.314 1.00 19.98 ? 548 VAL A CG2 1 ATOM 1555 N N . TRP A 1 208 ? 14.291 -1.865 1.045 1.00 21.79 ? 549 TRP A N 1 ATOM 1556 C CA . TRP A 1 208 ? 15.186 -1.535 -0.068 1.00 22.78 ? 549 TRP A CA 1 ATOM 1557 C C . TRP A 1 208 ? 16.583 -2.133 0.046 1.00 23.12 ? 549 TRP A C 1 ATOM 1558 O O . TRP A 1 208 ? 17.130 -2.638 -0.935 1.00 23.23 ? 549 TRP A O 1 ATOM 1559 C CB . TRP A 1 208 ? 15.272 -0.022 -0.227 1.00 23.05 ? 549 TRP A CB 1 ATOM 1560 C CG . TRP A 1 208 ? 14.026 0.520 -0.792 1.00 24.52 ? 549 TRP A CG 1 ATOM 1561 C CD1 . TRP A 1 208 ? 12.858 0.756 -0.128 1.00 25.69 ? 549 TRP A CD1 1 ATOM 1562 C CD2 . TRP A 1 208 ? 13.790 0.862 -2.159 1.00 26.36 ? 549 TRP A CD2 1 ATOM 1563 N NE1 . TRP A 1 208 ? 11.909 1.236 -0.996 1.00 26.99 ? 549 TRP A NE1 1 ATOM 1564 C CE2 . TRP A 1 208 ? 12.456 1.312 -2.250 1.00 26.97 ? 549 TRP A CE2 1 ATOM 1565 C CE3 . TRP A 1 208 ? 14.580 0.841 -3.316 1.00 27.08 ? 549 TRP A CE3 1 ATOM 1566 C CZ2 . TRP A 1 208 ? 11.890 1.739 -3.455 1.00 27.67 ? 549 TRP A CZ2 1 ATOM 1567 C CZ3 . TRP A 1 208 ? 14.017 1.262 -4.514 1.00 27.41 ? 549 TRP A CZ3 1 ATOM 1568 C CH2 . TRP A 1 208 ? 12.685 1.707 -4.573 1.00 27.72 ? 549 TRP A CH2 1 ATOM 1569 N N . GLU A 1 209 ? 17.148 -2.081 1.247 1.00 23.46 ? 550 GLU A N 1 ATOM 1570 C CA . GLU A 1 209 ? 18.521 -2.517 1.476 1.00 24.07 ? 550 GLU A CA 1 ATOM 1571 C C . GLU A 1 209 ? 18.680 -4.039 1.515 1.00 24.17 ? 550 GLU A C 1 ATOM 1572 O O . GLU A 1 209 ? 19.803 -4.545 1.536 1.00 24.27 ? 550 GLU A O 1 ATOM 1573 C CB . GLU A 1 209 ? 19.073 -1.873 2.752 1.00 24.34 ? 550 GLU A CB 1 ATOM 1574 C CG . GLU A 1 209 ? 19.356 -0.379 2.599 1.00 25.64 ? 550 GLU A CG 1 ATOM 1575 C CD . GLU A 1 209 ? 19.349 0.377 3.917 1.00 27.41 ? 550 GLU A CD 1 ATOM 1576 O OE1 . GLU A 1 209 ? 19.586 -0.243 4.977 1.00 28.25 ? 550 GLU A OE1 1 ATOM 1577 O OE2 . GLU A 1 209 ? 19.109 1.605 3.889 1.00 28.49 ? 550 GLU A OE2 1 ATOM 1578 N N . ASN A 1 210 ? 17.565 -4.763 1.511 1.00 24.32 ? 551 ASN A N 1 ATOM 1579 C CA . ASN A 1 210 ? 17.609 -6.220 1.571 1.00 24.73 ? 551 ASN A CA 1 ATOM 1580 C C . ASN A 1 210 ? 17.001 -6.922 0.361 1.00 25.04 ? 551 ASN A C 1 ATOM 1581 O O . ASN A 1 210 ? 16.791 -8.137 0.370 1.00 25.03 ? 551 ASN A O 1 ATOM 1582 C CB . ASN A 1 210 ? 17.078 -6.709 2.918 1.00 24.59 ? 551 ASN A CB 1 ATOM 1583 C CG . ASN A 1 210 ? 17.960 -6.276 4.070 1.00 24.66 ? 551 ASN A CG 1 ATOM 1584 O OD1 . ASN A 1 210 ? 19.044 -6.820 4.274 1.00 24.80 ? 551 ASN A OD1 1 ATOM 1585 N ND2 . ASN A 1 210 ? 17.505 -5.279 4.823 1.00 24.67 ? 551 ASN A ND2 1 ATOM 1586 N N . THR A 1 211 ? 16.734 -6.143 -0.684 1.00 25.57 ? 552 THR A N 1 ATOM 1587 C CA . THR A 1 211 ? 16.107 -6.656 -1.899 1.00 26.17 ? 552 THR A CA 1 ATOM 1588 C C . THR A 1 211 ? 16.906 -6.246 -3.133 1.00 26.96 ? 552 THR A C 1 ATOM 1589 O O . THR A 1 211 ? 17.771 -5.370 -3.058 1.00 26.82 ? 552 THR A O 1 ATOM 1590 C CB . THR A 1 211 ? 14.659 -6.145 -2.056 1.00 26.04 ? 552 THR A CB 1 ATOM 1591 O OG1 . THR A 1 211 ? 14.630 -4.723 -1.876 1.00 25.69 ? 552 THR A OG1 1 ATOM 1592 C CG2 . THR A 1 211 ? 13.726 -6.815 -1.047 1.00 25.56 ? 552 THR A CG2 1 ATOM 1593 N N . ASN A 1 212 ? 16.613 -6.899 -4.258 1.00 28.00 ? 553 ASN A N 1 ATOM 1594 C CA . ASN A 1 212 ? 17.195 -6.561 -5.564 1.00 29.14 ? 553 ASN A CA 1 ATOM 1595 C C . ASN A 1 212 ? 18.723 -6.502 -5.582 1.00 29.78 ? 553 ASN A C 1 ATOM 1596 O O . ASN A 1 212 ? 19.320 -5.611 -6.197 1.00 30.00 ? 553 ASN A O 1 ATOM 1597 C CB . ASN A 1 212 ? 16.579 -5.267 -6.114 1.00 29.20 ? 553 ASN A CB 1 ATOM 1598 C CG . ASN A 1 212 ? 15.105 -5.417 -6.441 1.00 29.81 ? 553 ASN A CG 1 ATOM 1599 O OD1 . ASN A 1 212 ? 14.392 -6.203 -5.815 1.00 30.52 ? 553 ASN A OD1 1 ATOM 1600 N ND2 . ASN A 1 212 ? 14.640 -4.659 -7.424 1.00 30.09 ? 553 ASN A ND2 1 ATOM 1601 N N . GLY A 1 213 ? 19.344 -7.457 -4.895 1.00 30.50 ? 554 GLY A N 1 ATOM 1602 C CA . GLY A 1 213 ? 20.796 -7.570 -4.853 1.00 31.47 ? 554 GLY A CA 1 ATOM 1603 C C . GLY A 1 213 ? 21.499 -6.621 -3.899 1.00 32.18 ? 554 GLY A C 1 ATOM 1604 O O . GLY A 1 213 ? 22.726 -6.655 -3.794 1.00 32.17 ? 554 GLY A O 1 ATOM 1605 N N . GLU A 1 214 ? 20.738 -5.775 -3.204 1.00 32.86 ? 555 GLU A N 1 ATOM 1606 C CA . GLU A 1 214 ? 21.328 -4.829 -2.248 1.00 33.66 ? 555 GLU A CA 1 ATOM 1607 C C . GLU A 1 214 ? 21.968 -5.544 -1.056 1.00 34.06 ? 555 GLU A C 1 ATOM 1608 O O . GLU A 1 214 ? 22.889 -5.017 -0.430 1.00 34.19 ? 555 GLU A O 1 ATOM 1609 C CB . GLU A 1 214 ? 20.312 -3.776 -1.788 1.00 33.64 ? 555 GLU A CB 1 ATOM 1610 C CG . GLU A 1 214 ? 19.913 -2.765 -2.869 1.00 34.18 ? 555 GLU A CG 1 ATOM 1611 C CD . GLU A 1 214 ? 21.078 -1.916 -3.371 1.00 35.01 ? 555 GLU A CD 1 ATOM 1612 O OE1 . GLU A 1 214 ? 21.907 -1.470 -2.546 1.00 35.27 ? 555 GLU A OE1 1 ATOM 1613 O OE2 . GLU A 1 214 ? 21.157 -1.687 -4.596 1.00 35.55 ? 555 GLU A OE2 1 ATOM 1614 N N . SER A 1 215 ? 21.475 -6.745 -0.760 1.00 34.56 ? 556 SER A N 1 ATOM 1615 C CA . SER A 1 215 ? 22.123 -7.641 0.192 1.00 35.04 ? 556 SER A CA 1 ATOM 1616 C C . SER A 1 215 ? 22.493 -8.963 -0.476 1.00 35.35 ? 556 SER A C 1 ATOM 1617 O O . SER A 1 215 ? 21.691 -9.545 -1.210 1.00 35.43 ? 556 SER A O 1 ATOM 1618 C CB . SER A 1 215 ? 21.228 -7.895 1.404 1.00 34.99 ? 556 SER A CB 1 ATOM 1619 O OG . SER A 1 215 ? 21.789 -8.893 2.242 1.00 35.15 ? 556 SER A OG 1 ATOM 1620 N N . THR A 1 216 ? 23.711 -9.425 -0.208 1.00 35.67 ? 557 THR A N 1 ATOM 1621 C CA . THR A 1 216 ? 24.217 -10.681 -0.761 1.00 35.94 ? 557 THR A CA 1 ATOM 1622 C C . THR A 1 216 ? 24.050 -11.838 0.225 1.00 35.89 ? 557 THR A C 1 ATOM 1623 O O . THR A 1 216 ? 24.378 -12.987 -0.093 1.00 35.98 ? 557 THR A O 1 ATOM 1624 C CB . THR A 1 216 ? 25.700 -10.563 -1.188 1.00 36.01 ? 557 THR A CB 1 ATOM 1625 O OG1 . THR A 1 216 ? 26.500 -10.184 -0.060 1.00 36.26 ? 557 THR A OG1 1 ATOM 1626 C CG2 . THR A 1 216 ? 25.866 -9.527 -2.297 1.00 36.14 ? 557 THR A CG2 1 ATOM 1627 N N . ALA A 1 217 ? 23.537 -11.525 1.416 1.00 35.73 ? 558 ALA A N 1 ATOM 1628 C CA . ALA A 1 217 ? 23.219 -12.532 2.426 1.00 35.42 ? 558 ALA A CA 1 ATOM 1629 C C . ALA A 1 217 ? 22.286 -13.589 1.842 1.00 35.14 ? 558 ALA A C 1 ATOM 1630 O O . ALA A 1 217 ? 21.385 -13.269 1.062 1.00 35.14 ? 558 ALA A O 1 ATOM 1631 C CB . ALA A 1 217 ? 22.594 -11.880 3.651 1.00 35.45 ? 558 ALA A CB 1 ATOM 1632 N N . ASP A 1 218 ? 22.510 -14.843 2.227 1.00 34.70 ? 559 ASP A N 1 ATOM 1633 C CA . ASP A 1 218 ? 21.827 -15.995 1.626 1.00 34.22 ? 559 ASP A CA 1 ATOM 1634 C C . ASP A 1 218 ? 20.296 -15.897 1.617 1.00 33.49 ? 559 ASP A C 1 ATOM 1635 O O . ASP A 1 218 ? 19.659 -16.229 0.614 1.00 33.46 ? 559 ASP A O 1 ATOM 1636 C CB . ASP A 1 218 ? 22.272 -17.292 2.308 1.00 34.52 ? 559 ASP A CB 1 ATOM 1637 C CG . ASP A 1 218 ? 21.939 -18.525 1.491 1.00 35.26 ? 559 ASP A CG 1 ATOM 1638 O OD1 . ASP A 1 218 ? 22.580 -18.737 0.438 1.00 36.24 ? 559 ASP A OD1 1 ATOM 1639 O OD2 . ASP A 1 218 ? 21.044 -19.290 1.909 1.00 36.05 ? 559 ASP A OD2 1 ATOM 1640 N N . TRP A 1 219 ? 19.715 -15.447 2.728 1.00 32.52 ? 560 TRP A N 1 ATOM 1641 C CA . TRP A 1 219 ? 18.260 -15.319 2.847 1.00 31.48 ? 560 TRP A CA 1 ATOM 1642 C C . TRP A 1 219 ? 17.706 -14.163 2.011 1.00 31.07 ? 560 TRP A C 1 ATOM 1643 O O . TRP A 1 219 ? 16.531 -14.169 1.636 1.00 30.88 ? 560 TRP A O 1 ATOM 1644 C CB . TRP A 1 219 ? 17.848 -15.147 4.316 1.00 31.25 ? 560 TRP A CB 1 ATOM 1645 C CG . TRP A 1 219 ? 18.325 -13.863 4.921 1.00 30.20 ? 560 TRP A CG 1 ATOM 1646 C CD1 . TRP A 1 219 ? 19.510 -13.652 5.561 1.00 29.67 ? 560 TRP A CD1 1 ATOM 1647 C CD2 . TRP A 1 219 ? 17.634 -12.606 4.932 1.00 29.09 ? 560 TRP A CD2 1 ATOM 1648 N NE1 . TRP A 1 219 ? 19.603 -12.345 5.973 1.00 29.50 ? 560 TRP A NE1 1 ATOM 1649 C CE2 . TRP A 1 219 ? 18.465 -11.681 5.600 1.00 28.89 ? 560 TRP A CE2 1 ATOM 1650 C CE3 . TRP A 1 219 ? 16.393 -12.171 4.443 1.00 28.29 ? 560 TRP A CE3 1 ATOM 1651 C CZ2 . TRP A 1 219 ? 18.098 -10.347 5.792 1.00 28.62 ? 560 TRP A CZ2 1 ATOM 1652 C CZ3 . TRP A 1 219 ? 16.029 -10.841 4.634 1.00 27.68 ? 560 TRP A CZ3 1 ATOM 1653 C CH2 . TRP A 1 219 ? 16.880 -9.946 5.306 1.00 28.02 ? 560 TRP A CH2 1 ATOM 1654 N N . ALA A 1 220 ? 18.557 -13.179 1.727 1.00 30.67 ? 561 ALA A N 1 ATOM 1655 C CA . ALA A 1 220 ? 18.131 -11.938 1.075 1.00 30.43 ? 561 ALA A CA 1 ATOM 1656 C C . ALA A 1 220 ? 18.523 -11.826 -0.398 1.00 30.41 ? 561 ALA A C 1 ATOM 1657 O O . ALA A 1 220 ? 17.875 -11.104 -1.159 1.00 30.32 ? 561 ALA A O 1 ATOM 1658 C CB . ALA A 1 220 ? 18.650 -10.731 1.849 1.00 30.33 ? 561 ALA A CB 1 ATOM 1659 N N . LYS A 1 221 ? 19.575 -12.543 -0.791 1.00 30.40 ? 562 LYS A N 1 ATOM 1660 C CA . LYS A 1 221 ? 20.158 -12.419 -2.133 1.00 30.44 ? 562 LYS A CA 1 ATOM 1661 C C . LYS A 1 221 ? 19.139 -12.562 -3.266 1.00 30.28 ? 562 LYS A C 1 ATOM 1662 O O . LYS A 1 221 ? 19.304 -11.966 -4.333 1.00 30.42 ? 562 LYS A O 1 ATOM 1663 C CB . LYS A 1 221 ? 21.315 -13.409 -2.320 1.00 30.49 ? 562 LYS A CB 1 ATOM 1664 C CG . LYS A 1 221 ? 20.891 -14.869 -2.400 1.00 31.00 ? 562 LYS A CG 1 ATOM 1665 C CD . LYS A 1 221 ? 22.097 -15.787 -2.433 1.00 32.00 ? 562 LYS A CD 1 ATOM 1666 C CE . LYS A 1 221 ? 21.655 -17.236 -2.460 1.00 32.27 ? 562 LYS A CE 1 ATOM 1667 N NZ . LYS A 1 221 ? 22.819 -18.155 -2.385 1.00 32.81 ? 562 LYS A NZ 1 ATOM 1668 N N . ASN A 1 222 ? 18.091 -13.346 -3.023 1.00 30.04 ? 563 ASN A N 1 ATOM 1669 C CA . ASN A 1 222 ? 17.069 -13.629 -4.030 1.00 29.81 ? 563 ASN A CA 1 ATOM 1670 C C . ASN A 1 222 ? 15.778 -12.825 -3.934 1.00 29.33 ? 563 ASN A C 1 ATOM 1671 O O . ASN A 1 222 ? 14.853 -13.052 -4.716 1.00 29.34 ? 563 ASN A O 1 ATOM 1672 C CB . ASN A 1 222 ? 16.711 -15.115 -4.017 1.00 30.10 ? 563 ASN A CB 1 ATOM 1673 C CG . ASN A 1 222 ? 17.132 -15.826 -5.280 1.00 30.76 ? 563 ASN A CG 1 ATOM 1674 O OD1 . ASN A 1 222 ? 16.992 -15.302 -6.389 1.00 31.61 ? 563 ASN A OD1 1 ATOM 1675 N ND2 . ASN A 1 222 ? 17.634 -17.041 -5.121 1.00 31.51 ? 563 ASN A ND2 1 ATOM 1676 N N . LEU A 1 223 ? 15.701 -11.898 -2.986 1.00 28.62 ? 564 LEU A N 1 ATOM 1677 C CA . LEU A 1 223 ? 14.456 -11.167 -2.765 1.00 28.06 ? 564 LEU A CA 1 ATOM 1678 C C . LEU A 1 223 ? 14.259 -10.038 -3.772 1.00 27.97 ? 564 LEU A C 1 ATOM 1679 O O . LEU A 1 223 ? 15.197 -9.301 -4.086 1.00 27.90 ? 564 LEU A O 1 ATOM 1680 C CB . LEU A 1 223 ? 14.387 -10.632 -1.332 1.00 27.82 ? 564 LEU A CB 1 ATOM 1681 C CG . LEU A 1 223 ? 14.573 -11.635 -0.188 1.00 27.20 ? 564 LEU A CG 1 ATOM 1682 C CD1 . LEU A 1 223 ? 14.652 -10.891 1.136 1.00 26.35 ? 564 LEU A CD1 1 ATOM 1683 C CD2 . LEU A 1 223 ? 13.462 -12.684 -0.155 1.00 26.40 ? 564 LEU A CD2 1 ATOM 1684 N N . LYS A 1 224 ? 13.033 -9.925 -4.278 1.00 28.01 ? 565 LYS A N 1 ATOM 1685 C CA . LYS A 1 224 ? 12.643 -8.862 -5.204 1.00 28.20 ? 565 LYS A CA 1 ATOM 1686 C C . LYS A 1 224 ? 11.588 -7.970 -4.554 1.00 28.11 ? 565 LYS A C 1 ATOM 1687 O O . LYS A 1 224 ? 10.615 -8.471 -3.989 1.00 28.06 ? 565 LYS A O 1 ATOM 1688 C CB . LYS A 1 224 ? 12.123 -9.458 -6.526 1.00 28.34 ? 565 LYS A CB 1 ATOM 1689 C CG . LYS A 1 224 ? 11.309 -8.509 -7.430 1.00 28.98 ? 565 LYS A CG 1 ATOM 1690 C CD . LYS A 1 224 ? 12.120 -7.311 -7.930 1.00 30.45 ? 565 LYS A CD 1 ATOM 1691 C CE . LYS A 1 224 ? 11.235 -6.267 -8.602 1.00 31.16 ? 565 LYS A CE 1 ATOM 1692 N NZ . LYS A 1 224 ? 11.861 -4.915 -8.635 1.00 32.02 ? 565 LYS A NZ 1 ATOM 1693 N N . ARG A 1 225 ? 11.783 -6.653 -4.643 1.00 28.15 ? 566 ARG A N 1 ATOM 1694 C CA . ARG A 1 225 ? 10.856 -5.669 -4.060 1.00 28.17 ? 566 ARG A CA 1 ATOM 1695 C C . ARG A 1 225 ? 9.436 -5.870 -4.534 1.00 28.01 ? 566 ARG A C 1 ATOM 1696 O O . ARG A 1 225 ? 8.484 -5.604 -3.798 1.00 27.95 ? 566 ARG A O 1 ATOM 1697 C CB . ARG A 1 225 ? 11.247 -4.241 -4.431 1.00 28.35 ? 566 ARG A CB 1 ATOM 1698 C CG . ARG A 1 225 ? 12.703 -3.980 -4.398 1.00 28.84 ? 566 ARG A CG 1 ATOM 1699 C CD . ARG A 1 225 ? 13.005 -2.525 -4.218 1.00 29.63 ? 566 ARG A CD 1 ATOM 1700 N NE . ARG A 1 225 ? 14.371 -2.407 -3.733 1.00 30.27 ? 566 ARG A NE 1 ATOM 1701 C CZ . ARG A 1 225 ? 15.419 -2.091 -4.486 1.00 30.76 ? 566 ARG A CZ 1 ATOM 1702 N NH1 . ARG A 1 225 ? 15.271 -1.820 -5.781 1.00 30.94 ? 566 ARG A NH1 1 ATOM 1703 N NH2 . ARG A 1 225 ? 16.623 -2.025 -3.931 1.00 31.27 ? 566 ARG A NH2 1 ATOM 1704 N N . GLU A 1 226 ? 9.299 -6.324 -5.777 1.00 27.85 ? 567 GLU A N 1 ATOM 1705 C CA . GLU A 1 226 ? 7.992 -6.495 -6.383 1.00 27.65 ? 567 GLU A CA 1 ATOM 1706 C C . GLU A 1 226 ? 7.198 -7.597 -5.691 1.00 26.97 ? 567 GLU A C 1 ATOM 1707 O O . GLU A 1 226 ? 5.980 -7.676 -5.843 1.00 27.13 ? 567 GLU A O 1 ATOM 1708 C CB . GLU A 1 226 ? 8.116 -6.783 -7.880 1.00 27.98 ? 567 GLU A CB 1 ATOM 1709 C CG . GLU A 1 226 ? 7.371 -5.787 -8.756 1.00 29.49 ? 567 GLU A CG 1 ATOM 1710 C CD . GLU A 1 226 ? 5.943 -5.554 -8.298 1.00 31.13 ? 567 GLU A CD 1 ATOM 1711 O OE1 . GLU A 1 226 ? 5.138 -6.510 -8.336 1.00 31.97 ? 567 GLU A OE1 1 ATOM 1712 O OE2 . GLU A 1 226 ? 5.625 -4.412 -7.906 1.00 31.90 ? 567 GLU A OE2 1 ATOM 1713 N N . ASP A 1 227 ? 7.885 -8.435 -4.920 1.00 25.97 ? 568 ASP A N 1 ATOM 1714 C CA . ASP A 1 227 ? 7.224 -9.497 -4.165 1.00 24.96 ? 568 ASP A CA 1 ATOM 1715 C C . ASP A 1 227 ? 6.697 -9.017 -2.810 1.00 23.98 ? 568 ASP A C 1 ATOM 1716 O O . ASP A 1 227 ? 6.134 -9.800 -2.039 1.00 23.70 ? 568 ASP A O 1 ATOM 1717 C CB . ASP A 1 227 ? 8.161 -10.697 -3.995 1.00 25.24 ? 568 ASP A CB 1 ATOM 1718 C CG . ASP A 1 227 ? 8.439 -11.413 -5.308 1.00 25.87 ? 568 ASP A CG 1 ATOM 1719 O OD1 . ASP A 1 227 ? 7.608 -11.314 -6.235 1.00 26.58 ? 568 ASP A OD1 1 ATOM 1720 O OD2 . ASP A 1 227 ? 9.488 -12.079 -5.413 1.00 26.89 ? 568 ASP A OD2 1 ATOM 1721 N N . PHE A 1 228 ? 6.865 -7.725 -2.539 1.00 22.76 ? 569 PHE A N 1 ATOM 1722 C CA . PHE A 1 228 ? 6.468 -7.147 -1.263 1.00 21.69 ? 569 PHE A CA 1 ATOM 1723 C C . PHE A 1 228 ? 5.471 -6.010 -1.436 1.00 21.18 ? 569 PHE A C 1 ATOM 1724 O O . PHE A 1 228 ? 5.465 -5.324 -2.463 1.00 21.10 ? 569 PHE A O 1 ATOM 1725 C CB . PHE A 1 228 ? 7.706 -6.672 -0.494 1.00 21.52 ? 569 PHE A CB 1 ATOM 1726 C CG . PHE A 1 228 ? 8.625 -7.788 -0.086 1.00 20.81 ? 569 PHE A CG 1 ATOM 1727 C CD1 . PHE A 1 228 ? 8.475 -8.412 1.149 1.00 20.04 ? 569 PHE A CD1 1 ATOM 1728 C CD2 . PHE A 1 228 ? 9.633 -8.229 -0.942 1.00 20.91 ? 569 PHE A CD2 1 ATOM 1729 C CE1 . PHE A 1 228 ? 9.320 -9.453 1.531 1.00 19.96 ? 569 PHE A CE1 1 ATOM 1730 C CE2 . PHE A 1 228 ? 10.481 -9.271 -0.572 1.00 20.71 ? 569 PHE A CE2 1 ATOM 1731 C CZ . PHE A 1 228 ? 10.325 -9.883 0.669 1.00 20.68 ? 569 PHE A CZ 1 ATOM 1732 N N . ARG A 1 229 ? 4.620 -5.833 -0.431 1.00 20.58 ? 570 ARG A N 1 ATOM 1733 C CA . ARG A 1 229 ? 3.668 -4.732 -0.398 1.00 20.23 ? 570 ARG A CA 1 ATOM 1734 C C . ARG A 1 229 ? 3.680 -4.068 0.969 1.00 19.79 ? 570 ARG A C 1 ATOM 1735 O O . ARG A 1 229 ? 3.886 -4.726 1.992 1.00 19.49 ? 570 ARG A O 1 ATOM 1736 C CB . ARG A 1 229 ? 2.249 -5.220 -0.717 1.00 20.32 ? 570 ARG A CB 1 ATOM 1737 C CG . ARG A 1 229 ? 2.015 -5.615 -2.175 1.00 20.91 ? 570 ARG A CG 1 ATOM 1738 C CD . ARG A 1 229 ? 1.995 -4.400 -3.094 1.00 23.21 ? 570 ARG A CD 1 ATOM 1739 N NE . ARG A 1 229 ? 1.858 -4.763 -4.504 1.00 24.51 ? 570 ARG A NE 1 ATOM 1740 C CZ . ARG A 1 229 ? 2.871 -4.882 -5.360 1.00 25.29 ? 570 ARG A CZ 1 ATOM 1741 N NH1 . ARG A 1 229 ? 4.121 -4.672 -4.965 1.00 25.49 ? 570 ARG A NH1 1 ATOM 1742 N NH2 . ARG A 1 229 ? 2.630 -5.212 -6.622 1.00 26.13 ? 570 ARG A NH2 1 ATOM 1743 N N . LEU A 1 230 ? 3.461 -2.759 0.973 1.00 19.45 ? 571 LEU A N 1 ATOM 1744 C CA . LEU A 1 230 ? 3.286 -2.013 2.205 1.00 19.25 ? 571 LEU A CA 1 ATOM 1745 C C . LEU A 1 230 ? 1.813 -1.965 2.563 1.00 19.39 ? 571 LEU A C 1 ATOM 1746 O O . LEU A 1 230 ? 0.953 -1.873 1.680 1.00 19.47 ? 571 LEU A O 1 ATOM 1747 C CB . LEU A 1 230 ? 3.830 -0.594 2.060 1.00 19.05 ? 571 LEU A CB 1 ATOM 1748 C CG . LEU A 1 230 ? 5.302 -0.450 1.672 1.00 18.63 ? 571 LEU A CG 1 ATOM 1749 C CD1 . LEU A 1 230 ? 5.650 1.017 1.527 1.00 18.25 ? 571 LEU A CD1 1 ATOM 1750 C CD2 . LEU A 1 230 ? 6.223 -1.122 2.691 1.00 17.99 ? 571 LEU A CD2 1 ATOM 1751 N N . LEU A 1 231 ? 1.526 -2.029 3.858 1.00 19.41 ? 572 LEU A N 1 ATOM 1752 C CA . LEU A 1 231 ? 0.160 -1.895 4.341 1.00 19.64 ? 572 LEU A CA 1 ATOM 1753 C C . LEU A 1 231 ? -0.101 -0.458 4.768 1.00 20.09 ? 572 LEU A C 1 ATOM 1754 O O . LEU A 1 231 ? 0.525 0.041 5.702 1.00 20.12 ? 572 LEU A O 1 ATOM 1755 C CB . LEU A 1 231 ? -0.108 -2.845 5.511 1.00 19.56 ? 572 LEU A CB 1 ATOM 1756 C CG . LEU A 1 231 ? 0.012 -4.355 5.291 1.00 19.39 ? 572 LEU A CG 1 ATOM 1757 C CD1 . LEU A 1 231 ? -0.481 -5.095 6.523 1.00 18.66 ? 572 LEU A CD1 1 ATOM 1758 C CD2 . LEU A 1 231 ? -0.760 -4.807 4.053 1.00 19.90 ? 572 LEU A CD2 1 ATOM 1759 N N . CYS A 1 232 ? -1.022 0.208 4.079 1.00 20.68 ? 573 CYS A N 1 ATOM 1760 C CA . CYS A 1 232 ? -1.395 1.577 4.433 1.00 21.35 ? 573 CYS A CA 1 ATOM 1761 C C . CYS A 1 232 ? -2.496 1.569 5.488 1.00 22.11 ? 573 CYS A C 1 ATOM 1762 O O . CYS A 1 232 ? -3.266 0.610 5.587 1.00 22.13 ? 573 CYS A O 1 ATOM 1763 C CB . CYS A 1 232 ? -1.850 2.358 3.198 1.00 21.27 ? 573 CYS A CB 1 ATOM 1764 S SG . CYS A 1 232 ? -0.926 2.025 1.689 1.00 21.27 ? 573 CYS A SG 1 ATOM 1765 N N . LEU A 1 233 ? -2.578 2.640 6.271 1.00 22.99 ? 574 LEU A N 1 ATOM 1766 C CA . LEU A 1 233 ? -3.562 2.711 7.352 1.00 23.94 ? 574 LEU A CA 1 ATOM 1767 C C . LEU A 1 233 ? -5.019 2.791 6.878 1.00 24.51 ? 574 LEU A C 1 ATOM 1768 O O . LEU A 1 233 ? -5.932 2.453 7.635 1.00 24.73 ? 574 LEU A O 1 ATOM 1769 C CB . LEU A 1 233 ? -3.241 3.858 8.316 1.00 24.07 ? 574 LEU A CB 1 ATOM 1770 C CG . LEU A 1 233 ? -2.117 3.614 9.329 1.00 24.32 ? 574 LEU A CG 1 ATOM 1771 C CD1 . LEU A 1 233 ? -1.704 4.920 9.994 1.00 24.71 ? 574 LEU A CD1 1 ATOM 1772 C CD2 . LEU A 1 233 ? -2.513 2.576 10.376 1.00 25.02 ? 574 LEU A CD2 1 ATOM 1773 N N . ASP A 1 234 ? -5.231 3.218 5.634 1.00 25.17 ? 575 ASP A N 1 ATOM 1774 C CA . ASP A 1 234 ? -6.582 3.290 5.062 1.00 25.77 ? 575 ASP A CA 1 ATOM 1775 C C . ASP A 1 234 ? -7.069 1.945 4.504 1.00 25.95 ? 575 ASP A C 1 ATOM 1776 O O . ASP A 1 234 ? -8.109 1.879 3.844 1.00 26.09 ? 575 ASP A O 1 ATOM 1777 C CB . ASP A 1 234 ? -6.664 4.385 3.987 1.00 25.98 ? 575 ASP A CB 1 ATOM 1778 C CG . ASP A 1 234 ? -5.797 4.091 2.766 1.00 26.55 ? 575 ASP A CG 1 ATOM 1779 O OD1 . ASP A 1 234 ? -5.117 3.043 2.727 1.00 27.69 ? 575 ASP A OD1 1 ATOM 1780 O OD2 . ASP A 1 234 ? -5.796 4.922 1.833 1.00 27.39 ? 575 ASP A OD2 1 ATOM 1781 N N . GLY A 1 235 ? -6.309 0.884 4.762 1.00 25.89 ? 576 GLY A N 1 ATOM 1782 C CA . GLY A 1 235 ? -6.693 -0.458 4.337 1.00 25.92 ? 576 GLY A CA 1 ATOM 1783 C C . GLY A 1 235 ? -6.205 -0.876 2.962 1.00 25.85 ? 576 GLY A C 1 ATOM 1784 O O . GLY A 1 235 ? -6.450 -2.005 2.540 1.00 26.03 ? 576 GLY A O 1 ATOM 1785 N N . THR A 1 236 ? -5.520 0.025 2.260 1.00 25.74 ? 577 THR A N 1 ATOM 1786 C CA . THR A 1 236 ? -4.970 -0.281 0.936 1.00 25.66 ? 577 THR A CA 1 ATOM 1787 C C . THR A 1 236 ? -3.587 -0.928 1.038 1.00 25.53 ? 577 THR A C 1 ATOM 1788 O O . THR A 1 236 ? -2.960 -0.911 2.101 1.00 25.44 ? 577 THR A O 1 ATOM 1789 C CB . THR A 1 236 ? -4.892 0.973 0.020 1.00 25.79 ? 577 THR A CB 1 ATOM 1790 O OG1 . THR A 1 236 ? -4.040 1.961 0.614 1.00 25.82 ? 577 THR A OG1 1 ATOM 1791 C CG2 . THR A 1 236 ? -6.279 1.567 -0.216 1.00 25.88 ? 577 THR A CG2 1 ATOM 1792 N N . ARG A 1 237 ? -3.138 -1.507 -0.076 1.00 25.27 ? 578 ARG A N 1 ATOM 1793 C CA . ARG A 1 237 ? -1.801 -2.084 -0.211 1.00 25.09 ? 578 ARG A CA 1 ATOM 1794 C C . ARG A 1 237 ? -1.056 -1.358 -1.325 1.00 25.10 ? 578 ARG A C 1 ATOM 1795 O O . ARG A 1 237 ? -1.620 -1.110 -2.396 1.00 25.11 ? 578 ARG A O 1 ATOM 1796 C CB . ARG A 1 237 ? -1.884 -3.572 -0.563 1.00 25.03 ? 578 ARG A CB 1 ATOM 1797 C CG . ARG A 1 237 ? -2.423 -4.477 0.533 1.00 24.99 ? 578 ARG A CG 1 ATOM 1798 C CD . ARG A 1 237 ? -3.052 -5.747 -0.052 1.00 24.73 ? 578 ARG A CD 1 ATOM 1799 N NE . ARG A 1 237 ? -2.147 -6.505 -0.921 1.00 24.37 ? 578 ARG A NE 1 ATOM 1800 C CZ . ARG A 1 237 ? -1.507 -7.619 -0.567 1.00 24.54 ? 578 ARG A CZ 1 ATOM 1801 N NH1 . ARG A 1 237 ? -1.651 -8.123 0.653 1.00 24.13 ? 578 ARG A NH1 1 ATOM 1802 N NH2 . ARG A 1 237 ? -0.715 -8.231 -1.438 1.00 24.87 ? 578 ARG A NH2 1 ATOM 1803 N N . LYS A 1 238 ? 0.207 -1.027 -1.076 1.00 24.89 ? 579 LYS A N 1 ATOM 1804 C CA . LYS A 1 238 ? 1.019 -0.322 -2.065 1.00 24.99 ? 579 LYS A CA 1 ATOM 1805 C C . LYS A 1 238 ? 2.378 -0.975 -2.296 1.00 24.88 ? 579 LYS A C 1 ATOM 1806 O O . LYS A 1 238 ? 2.919 -1.625 -1.395 1.00 24.71 ? 579 LYS A O 1 ATOM 1807 C CB . LYS A 1 238 ? 1.208 1.145 -1.660 1.00 25.11 ? 579 LYS A CB 1 ATOM 1808 C CG . LYS A 1 238 ? -0.023 2.009 -1.886 1.00 25.90 ? 579 LYS A CG 1 ATOM 1809 C CD . LYS A 1 238 ? 0.290 3.479 -1.653 1.00 27.58 ? 579 LYS A CD 1 ATOM 1810 C CE . LYS A 1 238 ? -0.831 4.378 -2.154 1.00 28.68 ? 579 LYS A CE 1 ATOM 1811 N NZ . LYS A 1 238 ? -2.128 4.113 -1.466 1.00 29.88 ? 579 LYS A NZ 1 ATOM 1812 N N . PRO A 1 239 ? 2.935 -0.798 -3.510 1.00 24.90 ? 580 PRO A N 1 ATOM 1813 C CA . PRO A 1 239 ? 4.316 -1.174 -3.795 1.00 24.98 ? 580 PRO A CA 1 ATOM 1814 C C . PRO A 1 239 ? 5.255 -0.430 -2.860 1.00 25.11 ? 580 PRO A C 1 ATOM 1815 O O . PRO A 1 239 ? 4.937 0.673 -2.406 1.00 25.10 ? 580 PRO A O 1 ATOM 1816 C CB . PRO A 1 239 ? 4.522 -0.694 -5.233 1.00 25.02 ? 580 PRO A CB 1 ATOM 1817 C CG . PRO A 1 239 ? 3.163 -0.695 -5.824 1.00 24.99 ? 580 PRO A CG 1 ATOM 1818 C CD . PRO A 1 239 ? 2.255 -0.279 -4.713 1.00 24.92 ? 580 PRO A CD 1 ATOM 1819 N N . VAL A 1 240 ? 6.406 -1.031 -2.586 1.00 25.36 ? 581 VAL A N 1 ATOM 1820 C CA . VAL A 1 240 ? 7.333 -0.503 -1.588 1.00 25.64 ? 581 VAL A CA 1 ATOM 1821 C C . VAL A 1 240 ? 8.014 0.795 -2.037 1.00 25.71 ? 581 VAL A C 1 ATOM 1822 O O . VAL A 1 240 ? 8.728 1.429 -1.259 1.00 25.85 ? 581 VAL A O 1 ATOM 1823 C CB . VAL A 1 240 ? 8.364 -1.576 -1.136 1.00 25.65 ? 581 VAL A CB 1 ATOM 1824 C CG1 . VAL A 1 240 ? 7.642 -2.814 -0.606 1.00 25.88 ? 581 VAL A CG1 1 ATOM 1825 C CG2 . VAL A 1 240 ? 9.309 -1.947 -2.272 1.00 25.97 ? 581 VAL A CG2 1 ATOM 1826 N N . THR A 1 241 ? 7.769 1.188 -3.287 1.00 25.67 ? 582 THR A N 1 ATOM 1827 C CA . THR A 1 241 ? 8.195 2.489 -3.808 1.00 25.66 ? 582 THR A CA 1 ATOM 1828 C C . THR A 1 241 ? 7.348 3.643 -3.260 1.00 25.44 ? 582 THR A C 1 ATOM 1829 O O . THR A 1 241 ? 7.719 4.810 -3.400 1.00 25.59 ? 582 THR A O 1 ATOM 1830 C CB . THR A 1 241 ? 8.122 2.536 -5.353 1.00 25.73 ? 582 THR A CB 1 ATOM 1831 O OG1 . THR A 1 241 ? 6.860 2.015 -5.789 1.00 25.95 ? 582 THR A OG1 1 ATOM 1832 C CG2 . THR A 1 241 ? 9.244 1.722 -5.977 1.00 25.85 ? 582 THR A CG2 1 ATOM 1833 N N . GLU A 1 242 ? 6.216 3.315 -2.639 1.00 25.11 ? 583 GLU A N 1 ATOM 1834 C CA . GLU A 1 242 ? 5.254 4.327 -2.197 1.00 24.87 ? 583 GLU A CA 1 ATOM 1835 C C . GLU A 1 242 ? 5.296 4.718 -0.724 1.00 24.29 ? 583 GLU A C 1 ATOM 1836 O O . GLU A 1 242 ? 4.343 5.313 -0.222 1.00 24.11 ? 583 GLU A O 1 ATOM 1837 C CB . GLU A 1 242 ? 3.833 3.954 -2.642 1.00 25.08 ? 583 GLU A CB 1 ATOM 1838 C CG . GLU A 1 242 ? 3.653 3.742 -4.135 1.00 26.32 ? 583 GLU A CG 1 ATOM 1839 C CD . GLU A 1 242 ? 4.289 4.835 -4.966 1.00 27.90 ? 583 GLU A CD 1 ATOM 1840 O OE1 . GLU A 1 242 ? 3.863 6.006 -4.856 1.00 29.10 ? 583 GLU A OE1 1 ATOM 1841 O OE2 . GLU A 1 242 ? 5.220 4.517 -5.733 1.00 28.99 ? 583 GLU A OE2 1 ATOM 1842 N N . ALA A 1 243 ? 6.388 4.399 -0.033 1.00 23.82 ? 584 ALA A N 1 ATOM 1843 C CA . ALA A 1 243 ? 6.442 4.555 1.422 1.00 23.41 ? 584 ALA A CA 1 ATOM 1844 C C . ALA A 1 243 ? 6.016 5.944 1.898 1.00 23.27 ? 584 ALA A C 1 ATOM 1845 O O . ALA A 1 243 ? 5.423 6.078 2.968 1.00 22.91 ? 584 ALA A O 1 ATOM 1846 C CB . ALA A 1 243 ? 7.818 4.198 1.953 1.00 23.40 ? 584 ALA A CB 1 ATOM 1847 N N . GLN A 1 244 ? 6.294 6.968 1.091 1.00 23.29 ? 585 GLN A N 1 ATOM 1848 C CA . GLN A 1 244 ? 5.947 8.344 1.456 1.00 23.46 ? 585 GLN A CA 1 ATOM 1849 C C . GLN A 1 244 ? 4.434 8.554 1.584 1.00 23.00 ? 585 GLN A C 1 ATOM 1850 O O . GLN A 1 244 ? 3.989 9.477 2.272 1.00 23.16 ? 585 GLN A O 1 ATOM 1851 C CB . GLN A 1 244 ? 6.571 9.350 0.474 1.00 23.68 ? 585 GLN A CB 1 ATOM 1852 C CG . GLN A 1 244 ? 6.732 10.774 1.024 1.00 25.43 ? 585 GLN A CG 1 ATOM 1853 C CD . GLN A 1 244 ? 7.515 10.837 2.328 1.00 27.32 ? 585 GLN A CD 1 ATOM 1854 O OE1 . GLN A 1 244 ? 6.952 11.122 3.386 1.00 28.60 ? 585 GLN A OE1 1 ATOM 1855 N NE2 . GLN A 1 244 ? 8.815 10.567 2.258 1.00 28.16 ? 585 GLN A NE2 1 ATOM 1856 N N . SER A 1 245 ? 3.650 7.690 0.941 1.00 22.50 ? 586 SER A N 1 ATOM 1857 C CA . SER A 1 245 ? 2.190 7.785 1.002 1.00 22.02 ? 586 SER A CA 1 ATOM 1858 C C . SER A 1 245 ? 1.529 6.574 1.673 1.00 21.61 ? 586 SER A C 1 ATOM 1859 O O . SER A 1 245 ? 0.300 6.464 1.707 1.00 21.66 ? 586 SER A O 1 ATOM 1860 C CB . SER A 1 245 ? 1.610 8.014 -0.400 1.00 22.10 ? 586 SER A CB 1 ATOM 1861 O OG . SER A 1 245 ? 1.800 6.878 -1.227 1.00 22.35 ? 586 SER A OG 1 ATOM 1862 N N . CYS A 1 246 ? 2.352 5.679 2.220 1.00 21.05 ? 587 CYS A N 1 ATOM 1863 C CA . CYS A 1 246 ? 1.865 4.440 2.815 1.00 20.58 ? 587 CYS A CA 1 ATOM 1864 C C . CYS A 1 246 ? 2.755 3.993 3.975 1.00 20.24 ? 587 CYS A C 1 ATOM 1865 O O . CYS A 1 246 ? 3.417 2.954 3.907 1.00 20.39 ? 587 CYS A O 1 ATOM 1866 C CB . CYS A 1 246 ? 1.791 3.347 1.747 1.00 20.66 ? 587 CYS A CB 1 ATOM 1867 S SG . CYS A 1 246 ? 1.006 1.825 2.296 1.00 20.38 ? 587 CYS A SG 1 ATOM 1868 N N . HIS A 1 247 ? 2.773 4.789 5.037 1.00 19.74 ? 588 HIS A N 1 ATOM 1869 C CA . HIS A 1 247 ? 3.539 4.448 6.232 1.00 19.39 ? 588 HIS A CA 1 ATOM 1870 C C . HIS A 1 247 ? 2.670 4.576 7.479 1.00 19.03 ? 588 HIS A C 1 ATOM 1871 O O . HIS A 1 247 ? 1.557 5.110 7.424 1.00 19.07 ? 588 HIS A O 1 ATOM 1872 C CB . HIS A 1 247 ? 4.777 5.339 6.340 1.00 19.50 ? 588 HIS A CB 1 ATOM 1873 C CG . HIS A 1 247 ? 4.461 6.797 6.275 1.00 19.71 ? 588 HIS A CG 1 ATOM 1874 N ND1 . HIS A 1 247 ? 4.521 7.516 5.101 1.00 20.38 ? 588 HIS A ND1 1 ATOM 1875 C CD2 . HIS A 1 247 ? 4.040 7.661 7.227 1.00 20.16 ? 588 HIS A CD2 1 ATOM 1876 C CE1 . HIS A 1 247 ? 4.172 8.767 5.337 1.00 20.18 ? 588 HIS A CE1 1 ATOM 1877 N NE2 . HIS A 1 247 ? 3.872 8.881 6.619 1.00 20.42 ? 588 HIS A NE2 1 ATOM 1878 N N . LEU A 1 248 ? 3.177 4.076 8.601 1.00 18.51 ? 589 LEU A N 1 ATOM 1879 C CA . LEU A 1 248 ? 2.445 4.129 9.862 1.00 18.20 ? 589 LEU A CA 1 ATOM 1880 C C . LEU A 1 248 ? 2.782 5.381 10.660 1.00 18.11 ? 589 LEU A C 1 ATOM 1881 O O . LEU A 1 248 ? 1.940 5.888 11.402 1.00 18.21 ? 589 LEU A O 1 ATOM 1882 C CB . LEU A 1 248 ? 2.720 2.883 10.706 1.00 18.02 ? 589 LEU A CB 1 ATOM 1883 C CG . LEU A 1 248 ? 2.441 1.503 10.098 1.00 18.02 ? 589 LEU A CG 1 ATOM 1884 C CD1 . LEU A 1 248 ? 2.685 0.426 11.145 1.00 17.48 ? 589 LEU A CD1 1 ATOM 1885 C CD2 . LEU A 1 248 ? 1.025 1.386 9.543 1.00 17.92 ? 589 LEU A CD2 1 ATOM 1886 N N . ALA A 1 249 ? 4.016 5.859 10.512 1.00 18.14 ? 590 ALA A N 1 ATOM 1887 C CA . ALA A 1 249 ? 4.488 7.061 11.199 1.00 18.10 ? 590 ALA A CA 1 ATOM 1888 C C . ALA A 1 249 ? 5.865 7.463 10.701 1.00 18.09 ? 590 ALA A C 1 ATOM 1889 O O . ALA A 1 249 ? 6.549 6.678 10.043 1.00 18.01 ? 590 ALA A O 1 ATOM 1890 C CB . ALA A 1 249 ? 4.527 6.841 12.716 1.00 18.21 ? 590 ALA A CB 1 ATOM 1891 N N . VAL A 1 250 ? 6.248 8.703 11.002 1.00 17.91 ? 591 VAL A N 1 ATOM 1892 C CA . VAL A 1 250 ? 7.630 9.143 10.879 1.00 17.90 ? 591 VAL A CA 1 ATOM 1893 C C . VAL A 1 250 ? 8.300 8.970 12.243 1.00 17.48 ? 591 VAL A C 1 ATOM 1894 O O . VAL A 1 250 ? 7.842 9.515 13.252 1.00 17.58 ? 591 VAL A O 1 ATOM 1895 C CB . VAL A 1 250 ? 7.751 10.613 10.373 1.00 17.98 ? 591 VAL A CB 1 ATOM 1896 C CG1 . VAL A 1 250 ? 7.012 11.592 11.289 1.00 19.03 ? 591 VAL A CG1 1 ATOM 1897 C CG2 . VAL A 1 250 ? 9.213 11.015 10.218 1.00 18.49 ? 591 VAL A CG2 1 ATOM 1898 N N . ALA A 1 251 ? 9.371 8.188 12.265 1.00 16.98 ? 592 ALA A N 1 ATOM 1899 C CA . ALA A 1 251 ? 10.100 7.912 13.494 1.00 16.48 ? 592 ALA A CA 1 ATOM 1900 C C . ALA A 1 251 ? 11.271 8.871 13.656 1.00 16.18 ? 592 ALA A C 1 ATOM 1901 O O . ALA A 1 251 ? 11.932 9.199 12.671 1.00 16.12 ? 592 ALA A O 1 ATOM 1902 C CB . ALA A 1 251 ? 10.600 6.495 13.471 1.00 16.36 ? 592 ALA A CB 1 ATOM 1903 N N . PRO A 1 252 ? 11.552 9.308 14.900 1.00 16.00 ? 593 PRO A N 1 ATOM 1904 C CA . PRO A 1 252 ? 12.773 10.087 15.106 1.00 15.88 ? 593 PRO A CA 1 ATOM 1905 C C . PRO A 1 252 ? 14.010 9.213 14.898 1.00 15.67 ? 593 PRO A C 1 ATOM 1906 O O . PRO A 1 252 ? 14.017 8.052 15.322 1.00 15.60 ? 593 PRO A O 1 ATOM 1907 C CB . PRO A 1 252 ? 12.663 10.538 16.567 1.00 15.92 ? 593 PRO A CB 1 ATOM 1908 C CG . PRO A 1 252 ? 11.771 9.543 17.214 1.00 16.33 ? 593 PRO A CG 1 ATOM 1909 C CD . PRO A 1 252 ? 10.804 9.096 16.153 1.00 15.93 ? 593 PRO A CD 1 ATOM 1910 N N . ASN A 1 253 ? 15.033 9.748 14.235 1.00 15.37 ? 594 ASN A N 1 ATOM 1911 C CA . ASN A 1 253 ? 16.252 8.986 13.964 1.00 15.36 ? 594 ASN A CA 1 ATOM 1912 C C . ASN A 1 253 ? 16.873 8.414 15.227 1.00 14.79 ? 594 ASN A C 1 ATOM 1913 O O . ASN A 1 253 ? 16.790 9.011 16.305 1.00 14.42 ? 594 ASN A O 1 ATOM 1914 C CB . ASN A 1 253 ? 17.296 9.832 13.224 1.00 15.81 ? 594 ASN A CB 1 ATOM 1915 C CG . ASN A 1 253 ? 16.968 10.016 11.753 1.00 17.57 ? 594 ASN A CG 1 ATOM 1916 O OD1 . ASN A 1 253 ? 15.989 9.469 11.245 1.00 20.54 ? 594 ASN A OD1 1 ATOM 1917 N ND2 . ASN A 1 253 ? 17.795 10.785 11.058 1.00 19.79 ? 594 ASN A ND2 1 ATOM 1918 N N . HIS A 1 254 ? 17.482 7.241 15.085 1.00 14.37 ? 595 HIS A N 1 ATOM 1919 C CA . HIS A 1 254 ? 18.328 6.692 16.129 1.00 14.00 ? 595 HIS A CA 1 ATOM 1920 C C . HIS A 1 254 ? 19.405 7.706 16.494 1.00 14.04 ? 595 HIS A C 1 ATOM 1921 O O . HIS A 1 254 ? 19.936 8.407 15.624 1.00 13.74 ? 595 HIS A O 1 ATOM 1922 C CB . HIS A 1 254 ? 18.967 5.392 15.656 1.00 14.02 ? 595 HIS A CB 1 ATOM 1923 C CG . HIS A 1 254 ? 17.998 4.260 15.506 1.00 13.95 ? 595 HIS A CG 1 ATOM 1924 N ND1 . HIS A 1 254 ? 18.401 2.943 15.507 1.00 14.15 ? 595 HIS A ND1 1 ATOM 1925 C CD2 . HIS A 1 254 ? 16.650 4.241 15.354 1.00 13.64 ? 595 HIS A CD2 1 ATOM 1926 C CE1 . HIS A 1 254 ? 17.348 2.161 15.357 1.00 13.78 ? 595 HIS A CE1 1 ATOM 1927 N NE2 . HIS A 1 254 ? 16.272 2.922 15.267 1.00 14.20 ? 595 HIS A NE2 1 ATOM 1928 N N . ALA A 1 255 ? 19.718 7.785 17.783 1.00 13.84 ? 596 ALA A N 1 ATOM 1929 C CA . ALA A 1 255 ? 20.652 8.790 18.277 1.00 14.04 ? 596 ALA A CA 1 ATOM 1930 C C . ALA A 1 255 ? 21.506 8.266 19.420 1.00 14.17 ? 596 ALA A C 1 ATOM 1931 O O . ALA A 1 255 ? 21.108 7.347 20.142 1.00 14.33 ? 596 ALA A O 1 ATOM 1932 C CB . ALA A 1 255 ? 19.898 10.046 18.710 1.00 13.66 ? 596 ALA A CB 1 ATOM 1933 N N . VAL A 1 256 ? 22.682 8.866 19.568 1.00 14.37 ? 597 VAL A N 1 ATOM 1934 C CA . VAL A 1 256 ? 23.587 8.565 20.669 1.00 14.38 ? 597 VAL A CA 1 ATOM 1935 C C . VAL A 1 256 ? 23.076 9.251 21.935 1.00 14.50 ? 597 VAL A C 1 ATOM 1936 O O . VAL A 1 256 ? 22.712 10.429 21.907 1.00 14.20 ? 597 VAL A O 1 ATOM 1937 C CB . VAL A 1 256 ? 25.026 9.040 20.354 1.00 14.41 ? 597 VAL A CB 1 ATOM 1938 C CG1 . VAL A 1 256 ? 25.966 8.782 21.536 1.00 14.24 ? 597 VAL A CG1 1 ATOM 1939 C CG2 . VAL A 1 256 ? 25.554 8.355 19.101 1.00 14.76 ? 597 VAL A CG2 1 ATOM 1940 N N . VAL A 1 257 ? 23.027 8.502 23.033 1.00 14.80 ? 598 VAL A N 1 ATOM 1941 C CA . VAL A 1 257 ? 22.685 9.075 24.330 1.00 15.28 ? 598 VAL A CA 1 ATOM 1942 C C . VAL A 1 257 ? 23.840 8.891 25.303 1.00 15.64 ? 598 VAL A C 1 ATOM 1943 O O . VAL A 1 257 ? 24.654 7.977 25.157 1.00 15.10 ? 598 VAL A O 1 ATOM 1944 C CB . VAL A 1 257 ? 21.375 8.495 24.941 1.00 15.40 ? 598 VAL A CB 1 ATOM 1945 C CG1 . VAL A 1 257 ? 20.192 8.668 23.985 1.00 15.38 ? 598 VAL A CG1 1 ATOM 1946 C CG2 . VAL A 1 257 ? 21.552 7.036 25.362 1.00 15.81 ? 598 VAL A CG2 1 ATOM 1947 N N . SER A 1 258 ? 23.914 9.777 26.286 1.00 16.21 ? 599 SER A N 1 ATOM 1948 C CA . SER A 1 258 ? 24.906 9.662 27.339 1.00 17.27 ? 599 SER A CA 1 ATOM 1949 C C . SER A 1 258 ? 24.345 10.300 28.590 1.00 17.94 ? 599 SER A C 1 ATOM 1950 O O . SER A 1 258 ? 23.301 10.954 28.546 1.00 17.80 ? 599 SER A O 1 ATOM 1951 C CB . SER A 1 258 ? 26.204 10.367 26.938 1.00 17.20 ? 599 SER A CB 1 ATOM 1952 O OG . SER A 1 258 ? 26.039 11.774 26.954 1.00 18.39 ? 599 SER A OG 1 ATOM 1953 N N . ARG A 1 259 ? 25.035 10.109 29.708 1.00 19.07 ? 600 ARG A N 1 ATOM 1954 C CA . ARG A 1 259 ? 24.750 10.910 30.883 1.00 20.26 ? 600 ARG A CA 1 ATOM 1955 C C . ARG A 1 259 ? 25.007 12.360 30.530 1.00 20.85 ? 600 ARG A C 1 ATOM 1956 O O . ARG A 1 259 ? 25.947 12.668 29.791 1.00 21.03 ? 600 ARG A O 1 ATOM 1957 C CB . ARG A 1 259 ? 25.598 10.470 32.072 1.00 20.30 ? 600 ARG A CB 1 ATOM 1958 C CG . ARG A 1 259 ? 24.871 9.463 32.932 1.00 21.14 ? 600 ARG A CG 1 ATOM 1959 C CD . ARG A 1 259 ? 25.765 8.774 33.940 1.00 22.06 ? 600 ARG A CD 1 ATOM 1960 N NE . ARG A 1 259 ? 26.507 9.698 34.787 1.00 21.48 ? 600 ARG A NE 1 ATOM 1961 C CZ . ARG A 1 259 ? 26.990 9.382 35.985 1.00 21.71 ? 600 ARG A CZ 1 ATOM 1962 N NH1 . ARG A 1 259 ? 26.788 8.170 36.491 1.00 20.65 ? 600 ARG A NH1 1 ATOM 1963 N NH2 . ARG A 1 259 ? 27.661 10.284 36.685 1.00 21.35 ? 600 ARG A NH2 1 ATOM 1964 N N . SER A 1 260 ? 24.152 13.244 31.032 1.00 21.93 ? 601 SER A N 1 ATOM 1965 C CA . SER A 1 260 ? 24.274 14.667 30.731 1.00 22.79 ? 601 SER A CA 1 ATOM 1966 C C . SER A 1 260 ? 25.664 15.206 31.059 1.00 23.00 ? 601 SER A C 1 ATOM 1967 O O . SER A 1 260 ? 26.203 16.026 30.318 1.00 23.05 ? 601 SER A O 1 ATOM 1968 C CB . SER A 1 260 ? 23.181 15.485 31.428 1.00 22.95 ? 601 SER A CB 1 ATOM 1969 O OG . SER A 1 260 ? 22.678 14.826 32.578 1.00 24.67 ? 601 SER A OG 1 ATOM 1970 N N . ASP A 1 261 ? 26.248 14.718 32.151 1.00 23.34 ? 602 ASP A N 1 ATOM 1971 C CA . ASP A 1 261 ? 27.584 15.147 32.566 1.00 23.59 ? 602 ASP A CA 1 ATOM 1972 C C . ASP A 1 261 ? 28.727 14.701 31.634 1.00 23.33 ? 602 ASP A C 1 ATOM 1973 O O . ASP A 1 261 ? 29.827 15.256 31.697 1.00 23.41 ? 602 ASP A O 1 ATOM 1974 C CB . ASP A 1 261 ? 27.871 14.778 34.040 1.00 24.02 ? 602 ASP A CB 1 ATOM 1975 C CG . ASP A 1 261 ? 27.149 13.513 34.500 1.00 25.44 ? 602 ASP A CG 1 ATOM 1976 O OD1 . ASP A 1 261 ? 25.914 13.409 34.321 1.00 27.10 ? 602 ASP A OD1 1 ATOM 1977 O OD2 . ASP A 1 261 ? 27.819 12.628 35.073 1.00 26.87 ? 602 ASP A OD2 1 ATOM 1978 N N . ARG A 1 262 ? 28.462 13.726 30.760 1.00 22.71 ? 603 ARG A N 1 ATOM 1979 C CA . ARG A 1 262 ? 29.467 13.244 29.801 1.00 22.35 ? 603 ARG A CA 1 ATOM 1980 C C . ARG A 1 262 ? 29.187 13.641 28.345 1.00 21.89 ? 603 ARG A C 1 ATOM 1981 O O . ARG A 1 262 ? 30.010 13.386 27.464 1.00 21.74 ? 603 ARG A O 1 ATOM 1982 C CB . ARG A 1 262 ? 29.614 11.717 29.893 1.00 22.45 ? 603 ARG A CB 1 ATOM 1983 C CG . ARG A 1 262 ? 30.238 11.202 31.191 1.00 23.15 ? 603 ARG A CG 1 ATOM 1984 C CD . ARG A 1 262 ? 31.746 11.448 31.242 1.00 24.25 ? 603 ARG A CD 1 ATOM 1985 N NE . ARG A 1 262 ? 32.499 10.531 30.386 1.00 24.97 ? 603 ARG A NE 1 ATOM 1986 C CZ . ARG A 1 262 ? 33.727 10.765 29.925 1.00 26.15 ? 603 ARG A CZ 1 ATOM 1987 N NH1 . ARG A 1 262 ? 34.356 11.898 30.225 1.00 26.72 ? 603 ARG A NH1 1 ATOM 1988 N NH2 . ARG A 1 262 ? 34.329 9.866 29.156 1.00 26.40 ? 603 ARG A NH2 1 ATOM 1989 N N . ALA A 1 263 ? 28.038 14.272 28.110 1.00 21.59 ? 604 ALA A N 1 ATOM 1990 C CA . ALA A 1 263 ? 27.544 14.555 26.755 1.00 21.41 ? 604 ALA A CA 1 ATOM 1991 C C . ALA A 1 263 ? 28.513 15.360 25.896 1.00 21.52 ? 604 ALA A C 1 ATOM 1992 O O . ALA A 1 263 ? 28.762 15.011 24.739 1.00 21.18 ? 604 ALA A O 1 ATOM 1993 C CB . ALA A 1 263 ? 26.179 15.232 26.814 1.00 21.34 ? 604 ALA A CB 1 ATOM 1994 N N . ALA A 1 264 ? 29.061 16.428 26.470 1.00 21.95 ? 605 ALA A N 1 ATOM 1995 C CA . ALA A 1 264 ? 30.015 17.281 25.769 1.00 22.55 ? 605 ALA A CA 1 ATOM 1996 C C . ALA A 1 264 ? 31.248 16.506 25.311 1.00 22.91 ? 605 ALA A C 1 ATOM 1997 O O . ALA A 1 264 ? 31.702 16.670 24.178 1.00 22.98 ? 605 ALA A O 1 ATOM 1998 C CB . ALA A 1 264 ? 30.416 18.469 26.642 1.00 22.54 ? 605 ALA A CB 1 ATOM 1999 N N . HIS A 1 265 ? 31.776 15.656 26.190 1.00 23.52 ? 606 HIS A N 1 ATOM 2000 C CA . HIS A 1 265 ? 32.964 14.869 25.882 1.00 24.17 ? 606 HIS A CA 1 ATOM 2001 C C . HIS A 1 265 ? 32.688 13.784 24.850 1.00 24.00 ? 606 HIS A C 1 ATOM 2002 O O . HIS A 1 265 ? 33.496 13.556 23.944 1.00 23.98 ? 606 HIS A O 1 ATOM 2003 C CB . HIS A 1 265 ? 33.523 14.237 27.149 1.00 24.67 ? 606 HIS A CB 1 ATOM 2004 C CG . HIS A 1 265 ? 34.963 13.863 27.038 1.00 26.59 ? 606 HIS A CG 1 ATOM 2005 N ND1 . HIS A 1 265 ? 35.964 14.807 26.967 1.00 28.22 ? 606 HIS A ND1 1 ATOM 2006 C CD2 . HIS A 1 265 ? 35.572 12.657 26.979 1.00 28.09 ? 606 HIS A CD2 1 ATOM 2007 C CE1 . HIS A 1 265 ? 37.129 14.198 26.871 1.00 28.52 ? 606 HIS A CE1 1 ATOM 2008 N NE2 . HIS A 1 265 ? 36.920 12.893 26.877 1.00 29.02 ? 606 HIS A NE2 1 ATOM 2009 N N . VAL A 1 266 ? 31.549 13.112 25.005 1.00 23.83 ? 607 VAL A N 1 ATOM 2010 C CA . VAL A 1 266 ? 31.116 12.079 24.065 1.00 23.71 ? 607 VAL A CA 1 ATOM 2011 C C . VAL A 1 266 ? 30.950 12.665 22.658 1.00 23.89 ? 607 VAL A C 1 ATOM 2012 O O . VAL A 1 266 ? 31.430 12.083 21.684 1.00 23.69 ? 607 VAL A O 1 ATOM 2013 C CB . VAL A 1 266 ? 29.821 11.366 24.550 1.00 23.66 ? 607 VAL A CB 1 ATOM 2014 C CG1 . VAL A 1 266 ? 29.254 10.452 23.468 1.00 23.26 ? 607 VAL A CG1 1 ATOM 2015 C CG2 . VAL A 1 266 ? 30.099 10.570 25.818 1.00 23.36 ? 607 VAL A CG2 1 ATOM 2016 N N . GLU A 1 267 ? 30.300 13.825 22.562 1.00 24.21 ? 608 GLU A N 1 ATOM 2017 C CA . GLU A 1 267 ? 30.132 14.515 21.278 1.00 24.71 ? 608 GLU A CA 1 ATOM 2018 C C . GLU A 1 267 ? 31.475 14.796 20.599 1.00 24.82 ? 608 GLU A C 1 ATOM 2019 O O . GLU A 1 267 ? 31.670 14.452 19.433 1.00 24.69 ? 608 GLU A O 1 ATOM 2020 C CB . GLU A 1 267 ? 29.345 15.818 21.449 1.00 24.83 ? 608 GLU A CB 1 ATOM 2021 C CG . GLU A 1 267 ? 29.035 16.522 20.125 1.00 26.33 ? 608 GLU A CG 1 ATOM 2022 C CD . GLU A 1 267 ? 28.255 17.815 20.290 1.00 28.54 ? 608 GLU A CD 1 ATOM 2023 O OE1 . GLU A 1 267 ? 27.716 18.068 21.390 1.00 29.94 ? 608 GLU A OE1 1 ATOM 2024 O OE2 . GLU A 1 267 ? 28.175 18.581 19.304 1.00 30.01 ? 608 GLU A OE2 1 ATOM 2025 N N . GLN A 1 268 ? 32.389 15.416 21.345 1.00 25.12 ? 609 GLN A N 1 ATOM 2026 C CA . GLN A 1 268 ? 33.725 15.762 20.859 1.00 25.63 ? 609 GLN A CA 1 ATOM 2027 C C . GLN A 1 268 ? 34.453 14.549 20.281 1.00 25.48 ? 609 GLN A C 1 ATOM 2028 O O . GLN A 1 268 ? 34.981 14.602 19.166 1.00 25.49 ? 609 GLN A O 1 ATOM 2029 C CB . GLN A 1 268 ? 34.536 16.405 21.996 1.00 25.84 ? 609 GLN A CB 1 ATOM 2030 C CG . GLN A 1 268 ? 36.054 16.283 21.882 1.00 27.65 ? 609 GLN A CG 1 ATOM 2031 C CD . GLN A 1 268 ? 36.766 16.727 23.146 1.00 29.57 ? 609 GLN A CD 1 ATOM 2032 O OE1 . GLN A 1 268 ? 36.901 17.922 23.407 1.00 31.15 ? 609 GLN A OE1 1 ATOM 2033 N NE2 . GLN A 1 268 ? 37.233 15.764 23.934 1.00 30.73 ? 609 GLN A NE2 1 ATOM 2034 N N . VAL A 1 269 ? 34.461 13.458 21.042 1.00 25.39 ? 610 VAL A N 1 ATOM 2035 C CA . VAL A 1 269 ? 35.151 12.240 20.640 1.00 25.24 ? 610 VAL A CA 1 ATOM 2036 C C . VAL A 1 269 ? 34.499 11.621 19.403 1.00 25.17 ? 610 VAL A C 1 ATOM 2037 O O . VAL A 1 269 ? 35.202 11.216 18.477 1.00 25.14 ? 610 VAL A O 1 ATOM 2038 C CB . VAL A 1 269 ? 35.253 11.224 21.809 1.00 25.15 ? 610 VAL A CB 1 ATOM 2039 C CG1 . VAL A 1 269 ? 35.792 9.879 21.330 1.00 25.21 ? 610 VAL A CG1 1 ATOM 2040 C CG2 . VAL A 1 269 ? 36.144 11.784 22.915 1.00 25.34 ? 610 VAL A CG2 1 ATOM 2041 N N . LEU A 1 270 ? 33.168 11.581 19.376 1.00 25.13 ? 611 LEU A N 1 ATOM 2042 C CA . LEU A 1 270 ? 32.441 11.001 18.244 1.00 25.29 ? 611 LEU A CA 1 ATOM 2043 C C . LEU A 1 270 ? 32.629 11.759 16.937 1.00 25.44 ? 611 LEU A C 1 ATOM 2044 O O . LEU A 1 270 ? 32.769 11.147 15.877 1.00 25.35 ? 611 LEU A O 1 ATOM 2045 C CB . LEU A 1 270 ? 30.953 10.862 18.556 1.00 25.25 ? 611 LEU A CB 1 ATOM 2046 C CG . LEU A 1 270 ? 30.566 9.649 19.400 1.00 25.31 ? 611 LEU A CG 1 ATOM 2047 C CD1 . LEU A 1 270 ? 29.087 9.706 19.720 1.00 25.28 ? 611 LEU A CD1 1 ATOM 2048 C CD2 . LEU A 1 270 ? 30.920 8.336 18.693 1.00 25.20 ? 611 LEU A CD2 1 ATOM 2049 N N . LEU A 1 271 ? 32.628 13.087 17.016 1.00 25.72 ? 612 LEU A N 1 ATOM 2050 C CA . LEU A 1 271 ? 32.863 13.915 15.838 1.00 26.14 ? 612 LEU A CA 1 ATOM 2051 C C . LEU A 1 271 ? 34.244 13.638 15.251 1.00 26.50 ? 612 LEU A C 1 ATOM 2052 O O . LEU A 1 271 ? 34.401 13.575 14.030 1.00 26.79 ? 612 LEU A O 1 ATOM 2053 C CB . LEU A 1 271 ? 32.679 15.399 16.163 1.00 26.03 ? 612 LEU A CB 1 ATOM 2054 C CG . LEU A 1 271 ? 31.241 15.832 16.474 1.00 25.94 ? 612 LEU A CG 1 ATOM 2055 C CD1 . LEU A 1 271 ? 31.210 17.272 16.954 1.00 26.14 ? 612 LEU A CD1 1 ATOM 2056 C CD2 . LEU A 1 271 ? 30.315 15.637 15.277 1.00 25.90 ? 612 LEU A CD2 1 ATOM 2057 N N . HIS A 1 272 ? 35.233 13.449 16.123 1.00 26.92 ? 613 HIS A N 1 ATOM 2058 C CA . HIS A 1 272 ? 36.572 13.062 15.687 1.00 27.36 ? 613 HIS A CA 1 ATOM 2059 C C . HIS A 1 272 ? 36.623 11.623 15.169 1.00 27.15 ? 613 HIS A C 1 ATOM 2060 O O . HIS A 1 272 ? 37.298 11.346 14.175 1.00 27.18 ? 613 HIS A O 1 ATOM 2061 C CB . HIS A 1 272 ? 37.601 13.264 16.804 1.00 27.72 ? 613 HIS A CB 1 ATOM 2062 C CG . HIS A 1 272 ? 38.974 12.777 16.452 1.00 29.28 ? 613 HIS A CG 1 ATOM 2063 N ND1 . HIS A 1 272 ? 39.676 13.252 15.365 1.00 30.63 ? 613 HIS A ND1 1 ATOM 2064 C CD2 . HIS A 1 272 ? 39.771 11.854 17.041 1.00 30.45 ? 613 HIS A CD2 1 ATOM 2065 C CE1 . HIS A 1 272 ? 40.847 12.644 15.300 1.00 31.18 ? 613 HIS A CE1 1 ATOM 2066 N NE2 . HIS A 1 272 ? 40.931 11.792 16.306 1.00 31.28 ? 613 HIS A NE2 1 ATOM 2067 N N . GLN A 1 273 ? 35.912 10.714 15.837 1.00 26.86 ? 614 GLN A N 1 ATOM 2068 C CA . GLN A 1 273 ? 35.908 9.305 15.440 1.00 26.65 ? 614 GLN A CA 1 ATOM 2069 C C . GLN A 1 273 ? 35.327 9.092 14.045 1.00 26.67 ? 614 GLN A C 1 ATOM 2070 O O . GLN A 1 273 ? 35.854 8.295 13.269 1.00 26.67 ? 614 GLN A O 1 ATOM 2071 C CB . GLN A 1 273 ? 35.173 8.437 16.468 1.00 26.56 ? 614 GLN A CB 1 ATOM 2072 C CG . GLN A 1 273 ? 35.955 8.199 17.758 1.00 26.20 ? 614 GLN A CG 1 ATOM 2073 C CD . GLN A 1 273 ? 37.312 7.559 17.522 1.00 25.84 ? 614 GLN A CD 1 ATOM 2074 O OE1 . GLN A 1 273 ? 37.419 6.520 16.870 1.00 25.28 ? 614 GLN A OE1 1 ATOM 2075 N NE2 . GLN A 1 273 ? 38.359 8.179 18.059 1.00 25.76 ? 614 GLN A NE2 1 ATOM 2076 N N . GLN A 1 274 ? 34.253 9.811 13.726 1.00 26.75 ? 615 GLN A N 1 ATOM 2077 C CA . GLN A 1 274 ? 33.634 9.683 12.408 1.00 27.00 ? 615 GLN A CA 1 ATOM 2078 C C . GLN A 1 274 ? 34.455 10.350 11.303 1.00 27.20 ? 615 GLN A C 1 ATOM 2079 O O . GLN A 1 274 ? 34.392 9.937 10.145 1.00 27.20 ? 615 GLN A O 1 ATOM 2080 C CB . GLN A 1 274 ? 32.179 10.159 12.410 1.00 27.01 ? 615 GLN A CB 1 ATOM 2081 C CG . GLN A 1 274 ? 31.963 11.652 12.565 1.00 27.06 ? 615 GLN A CG 1 ATOM 2082 C CD . GLN A 1 274 ? 30.519 12.039 12.329 1.00 27.25 ? 615 GLN A CD 1 ATOM 2083 O OE1 . GLN A 1 274 ? 29.694 11.205 11.953 1.00 27.63 ? 615 GLN A OE1 1 ATOM 2084 N NE2 . GLN A 1 274 ? 30.202 13.307 12.551 1.00 27.14 ? 615 GLN A NE2 1 ATOM 2085 N N . ALA A 1 275 ? 35.227 11.374 11.667 1.00 27.47 ? 616 ALA A N 1 ATOM 2086 C CA . ALA A 1 275 ? 36.189 11.975 10.745 1.00 27.81 ? 616 ALA A CA 1 ATOM 2087 C C . ALA A 1 275 ? 37.203 10.924 10.285 1.00 28.01 ? 616 ALA A C 1 ATOM 2088 O O . ALA A 1 275 ? 37.686 10.969 9.151 1.00 28.12 ? 616 ALA A O 1 ATOM 2089 C CB . ALA A 1 275 ? 36.893 13.156 11.396 1.00 27.82 ? 616 ALA A CB 1 ATOM 2090 N N . LEU A 1 276 ? 37.496 9.972 11.170 1.00 28.16 ? 617 LEU A N 1 ATOM 2091 C CA . LEU A 1 276 ? 38.401 8.865 10.873 1.00 28.32 ? 617 LEU A CA 1 ATOM 2092 C C . LEU A 1 276 ? 37.698 7.669 10.230 1.00 28.41 ? 617 LEU A C 1 ATOM 2093 O O . LEU A 1 276 ? 38.191 7.116 9.242 1.00 28.49 ? 617 LEU A O 1 ATOM 2094 C CB . LEU A 1 276 ? 39.125 8.401 12.144 1.00 28.39 ? 617 LEU A CB 1 ATOM 2095 C CG . LEU A 1 276 ? 40.034 9.378 12.898 1.00 28.58 ? 617 LEU A CG 1 ATOM 2096 C CD1 . LEU A 1 276 ? 40.520 8.755 14.195 1.00 29.07 ? 617 LEU A CD1 1 ATOM 2097 C CD2 . LEU A 1 276 ? 41.214 9.814 12.045 1.00 29.13 ? 617 LEU A CD2 1 ATOM 2098 N N . PHE A 1 277 ? 36.554 7.272 10.787 1.00 28.40 ? 618 PHE A N 1 ATOM 2099 C CA . PHE A 1 277 ? 35.941 5.987 10.434 1.00 28.50 ? 618 PHE A CA 1 ATOM 2100 C C . PHE A 1 277 ? 34.527 6.068 9.850 1.00 28.97 ? 618 PHE A C 1 ATOM 2101 O O . PHE A 1 277 ? 33.922 5.036 9.549 1.00 28.76 ? 618 PHE A O 1 ATOM 2102 C CB . PHE A 1 277 ? 35.974 5.034 11.639 1.00 28.23 ? 618 PHE A CB 1 ATOM 2103 C CG . PHE A 1 277 ? 37.330 4.914 12.283 1.00 27.86 ? 618 PHE A CG 1 ATOM 2104 C CD1 . PHE A 1 277 ? 38.410 4.392 11.575 1.00 27.56 ? 618 PHE A CD1 1 ATOM 2105 C CD2 . PHE A 1 277 ? 37.525 5.319 13.600 1.00 27.41 ? 618 PHE A CD2 1 ATOM 2106 C CE1 . PHE A 1 277 ? 39.668 4.282 12.167 1.00 27.63 ? 618 PHE A CE1 1 ATOM 2107 C CE2 . PHE A 1 277 ? 38.778 5.211 14.202 1.00 27.12 ? 618 PHE A CE2 1 ATOM 2108 C CZ . PHE A 1 277 ? 39.851 4.692 13.483 1.00 27.45 ? 618 PHE A CZ 1 ATOM 2109 N N . GLY A 1 278 ? 34.014 7.286 9.680 1.00 29.69 ? 619 GLY A N 1 ATOM 2110 C CA . GLY A 1 278 ? 32.690 7.508 9.092 1.00 31.02 ? 619 GLY A CA 1 ATOM 2111 C C . GLY A 1 278 ? 32.683 7.300 7.587 1.00 32.06 ? 619 GLY A C 1 ATOM 2112 O O . GLY A 1 278 ? 33.628 6.732 7.032 1.00 31.92 ? 619 GLY A O 1 ATOM 2113 N N . LYS A 1 279 ? 31.626 7.771 6.924 1.00 33.30 ? 620 LYS A N 1 ATOM 2114 C CA . LYS A 1 279 ? 31.427 7.502 5.492 1.00 34.66 ? 620 LYS A CA 1 ATOM 2115 C C . LYS A 1 279 ? 32.601 7.863 4.574 1.00 35.41 ? 620 LYS A C 1 ATOM 2116 O O . LYS A 1 279 ? 33.053 7.025 3.788 1.00 35.65 ? 620 LYS A O 1 ATOM 2117 C CB . LYS A 1 279 ? 30.113 8.095 4.965 1.00 34.70 ? 620 LYS A CB 1 ATOM 2118 C CG . LYS A 1 279 ? 30.033 8.097 3.440 1.00 35.36 ? 620 LYS A CG 1 ATOM 2119 C CD . LYS A 1 279 ? 28.625 7.963 2.904 1.00 36.40 ? 620 LYS A CD 1 ATOM 2120 C CE . LYS A 1 279 ? 28.670 7.835 1.387 1.00 36.90 ? 620 LYS A CE 1 ATOM 2121 N NZ . LYS A 1 279 ? 27.342 7.523 0.790 1.00 37.35 ? 620 LYS A NZ 1 ATOM 2122 N N . ASN A 1 280 ? 33.086 9.098 4.657 1.00 36.35 ? 621 ASN A N 1 ATOM 2123 C CA . ASN A 1 280 ? 34.262 9.479 3.874 1.00 37.16 ? 621 ASN A CA 1 ATOM 2124 C C . ASN A 1 280 ? 35.511 9.534 4.745 1.00 37.41 ? 621 ASN A C 1 ATOM 2125 O O . ASN A 1 280 ? 36.505 10.176 4.394 1.00 37.53 ? 621 ASN A O 1 ATOM 2126 C CB . ASN A 1 280 ? 34.028 10.804 3.145 1.00 37.34 ? 621 ASN A CB 1 ATOM 2127 C CG . ASN A 1 280 ? 32.955 10.698 2.077 1.00 37.93 ? 621 ASN A CG 1 ATOM 2128 O OD1 . ASN A 1 280 ? 32.990 9.806 1.226 1.00 38.71 ? 621 ASN A OD1 1 ATOM 2129 N ND2 . ASN A 1 280 ? 31.995 11.614 2.114 1.00 38.51 ? 621 ASN A ND2 1 ATOM 2130 N N . GLY A 1 281 ? 35.444 8.834 5.876 1.00 37.62 ? 622 GLY A N 1 ATOM 2131 C CA . GLY A 1 281 ? 36.490 8.850 6.892 1.00 37.83 ? 622 GLY A CA 1 ATOM 2132 C C . GLY A 1 281 ? 37.878 8.567 6.360 1.00 37.97 ? 622 GLY A C 1 ATOM 2133 O O . GLY A 1 281 ? 38.047 7.770 5.433 1.00 37.91 ? 622 GLY A O 1 ATOM 2134 N N . LYS A 1 282 ? 38.868 9.226 6.958 1.00 38.07 ? 623 LYS A N 1 ATOM 2135 C CA . LYS A 1 282 ? 40.270 9.072 6.570 1.00 38.19 ? 623 LYS A CA 1 ATOM 2136 C C . LYS A 1 282 ? 40.678 7.606 6.449 1.00 38.10 ? 623 LYS A C 1 ATOM 2137 O O . LYS A 1 282 ? 41.438 7.243 5.553 1.00 38.08 ? 623 LYS A O 1 ATOM 2138 C CB . LYS A 1 282 ? 41.198 9.752 7.580 1.00 38.27 ? 623 LYS A CB 1 ATOM 2139 C CG . LYS A 1 282 ? 41.098 11.270 7.665 1.00 38.74 ? 623 LYS A CG 1 ATOM 2140 C CD . LYS A 1 282 ? 42.435 11.917 8.072 1.00 39.41 ? 623 LYS A CD 1 ATOM 2141 C CE . LYS A 1 282 ? 42.981 11.416 9.420 1.00 39.90 ? 623 LYS A CE 1 ATOM 2142 N NZ . LYS A 1 282 ? 43.694 10.098 9.340 1.00 40.08 ? 623 LYS A NZ 1 ATOM 2143 N N . ASN A 1 283 ? 40.155 6.771 7.344 1.00 37.97 ? 624 ASN A N 1 ATOM 2144 C CA . ASN A 1 283 ? 40.601 5.384 7.468 1.00 37.88 ? 624 ASN A CA 1 ATOM 2145 C C . ASN A 1 283 ? 39.538 4.324 7.146 1.00 37.69 ? 624 ASN A C 1 ATOM 2146 O O . ASN A 1 283 ? 39.710 3.144 7.459 1.00 37.68 ? 624 ASN A O 1 ATOM 2147 C CB . ASN A 1 283 ? 41.202 5.155 8.859 1.00 38.02 ? 624 ASN A CB 1 ATOM 2148 C CG . ASN A 1 283 ? 42.288 6.165 9.200 1.00 38.46 ? 624 ASN A CG 1 ATOM 2149 O OD1 . ASN A 1 283 ? 43.219 6.383 8.423 1.00 38.95 ? 624 ASN A OD1 1 ATOM 2150 N ND2 . ASN A 1 283 ? 42.171 6.785 10.369 1.00 39.03 ? 624 ASN A ND2 1 ATOM 2151 N N . CYS A 1 284 ? 38.447 4.756 6.517 1.00 37.52 ? 625 CYS A N 1 ATOM 2152 C CA . CYS A 1 284 ? 37.406 3.855 6.019 1.00 37.36 ? 625 CYS A CA 1 ATOM 2153 C C . CYS A 1 284 ? 37.378 3.976 4.496 1.00 37.92 ? 625 CYS A C 1 ATOM 2154 O O . CYS A 1 284 ? 37.248 5.084 3.974 1.00 37.92 ? 625 CYS A O 1 ATOM 2155 C CB . CYS A 1 284 ? 36.045 4.218 6.632 1.00 36.97 ? 625 CYS A CB 1 ATOM 2156 S SG . CYS A 1 284 ? 34.564 3.514 5.830 1.00 34.79 ? 625 CYS A SG 1 ATOM 2157 N N . PRO A 1 285 ? 37.478 2.840 3.775 1.00 38.41 ? 626 PRO A N 1 ATOM 2158 C CA . PRO A 1 285 ? 37.434 1.455 4.258 1.00 38.82 ? 626 PRO A CA 1 ATOM 2159 C C . PRO A 1 285 ? 38.770 0.761 4.567 1.00 39.15 ? 626 PRO A C 1 ATOM 2160 O O . PRO A 1 285 ? 38.757 -0.398 4.993 1.00 39.25 ? 626 PRO A O 1 ATOM 2161 C CB . PRO A 1 285 ? 36.725 0.724 3.113 1.00 38.81 ? 626 PRO A CB 1 ATOM 2162 C CG . PRO A 1 285 ? 37.077 1.511 1.879 1.00 38.68 ? 626 PRO A CG 1 ATOM 2163 C CD . PRO A 1 285 ? 37.554 2.888 2.303 1.00 38.51 ? 626 PRO A CD 1 ATOM 2164 N N . ASP A 1 286 ? 39.897 1.445 4.374 1.00 39.37 ? 627 ASP A N 1 ATOM 2165 C CA . ASP A 1 286 ? 41.214 0.804 4.509 1.00 39.49 ? 627 ASP A CA 1 ATOM 2166 C C . ASP A 1 286 ? 41.493 0.153 5.873 1.00 39.15 ? 627 ASP A C 1 ATOM 2167 O O . ASP A 1 286 ? 42.176 -0.872 5.938 1.00 39.24 ? 627 ASP A O 1 ATOM 2168 C CB . ASP A 1 286 ? 42.342 1.769 4.117 1.00 39.75 ? 627 ASP A CB 1 ATOM 2169 C CG . ASP A 1 286 ? 42.395 2.035 2.616 1.00 40.40 ? 627 ASP A CG 1 ATOM 2170 O OD1 . ASP A 1 286 ? 41.642 1.390 1.852 1.00 40.98 ? 627 ASP A OD1 1 ATOM 2171 O OD2 . ASP A 1 286 ? 43.199 2.895 2.197 1.00 41.31 ? 627 ASP A OD2 1 ATOM 2172 N N . LYS A 1 287 ? 40.958 0.731 6.949 1.00 38.48 ? 628 LYS A N 1 ATOM 2173 C CA . LYS A 1 287 ? 41.188 0.199 8.297 1.00 37.65 ? 628 LYS A CA 1 ATOM 2174 C C . LYS A 1 287 ? 39.910 -0.245 9.019 1.00 36.62 ? 628 LYS A C 1 ATOM 2175 O O . LYS A 1 287 ? 39.821 -1.389 9.473 1.00 36.68 ? 628 LYS A O 1 ATOM 2176 C CB . LYS A 1 287 ? 41.967 1.204 9.155 1.00 37.93 ? 628 LYS A CB 1 ATOM 2177 C CG . LYS A 1 287 ? 43.444 1.334 8.797 1.00 38.70 ? 628 LYS A CG 1 ATOM 2178 C CD . LYS A 1 287 ? 44.091 2.479 9.569 1.00 39.80 ? 628 LYS A CD 1 ATOM 2179 C CE . LYS A 1 287 ? 45.581 2.599 9.276 1.00 40.42 ? 628 LYS A CE 1 ATOM 2180 N NZ . LYS A 1 287 ? 46.390 1.574 10.001 1.00 40.94 ? 628 LYS A NZ 1 ATOM 2181 N N . PHE A 1 288 ? 38.934 0.658 9.126 1.00 35.14 ? 629 PHE A N 1 ATOM 2182 C CA . PHE A 1 288 ? 37.691 0.387 9.853 1.00 33.58 ? 629 PHE A CA 1 ATOM 2183 C C . PHE A 1 288 ? 36.592 1.364 9.449 1.00 32.67 ? 629 PHE A C 1 ATOM 2184 O O . PHE A 1 288 ? 36.832 2.568 9.337 1.00 32.52 ? 629 PHE A O 1 ATOM 2185 C CB . PHE A 1 288 ? 37.926 0.449 11.372 1.00 33.48 ? 629 PHE A CB 1 ATOM 2186 C CG . PHE A 1 288 ? 36.679 0.255 12.196 1.00 32.66 ? 629 PHE A CG 1 ATOM 2187 C CD1 . PHE A 1 288 ? 36.118 -1.011 12.352 1.00 32.11 ? 629 PHE A CD1 1 ATOM 2188 C CD2 . PHE A 1 288 ? 36.067 1.339 12.820 1.00 31.76 ? 629 PHE A CD2 1 ATOM 2189 C CE1 . PHE A 1 288 ? 34.964 -1.193 13.111 1.00 31.51 ? 629 PHE A CE1 1 ATOM 2190 C CE2 . PHE A 1 288 ? 34.913 1.167 13.580 1.00 31.49 ? 629 PHE A CE2 1 ATOM 2191 C CZ . PHE A 1 288 ? 34.360 -0.103 13.725 1.00 31.26 ? 629 PHE A CZ 1 ATOM 2192 N N . CYS A 1 289 ? 35.392 0.835 9.229 1.00 31.47 ? 630 CYS A N 1 ATOM 2193 C CA . CYS A 1 289 ? 34.223 1.659 8.948 1.00 30.41 ? 630 CYS A CA 1 ATOM 2194 C C . CYS A 1 289 ? 33.217 1.533 10.078 1.00 29.40 ? 630 CYS A C 1 ATOM 2195 O O . CYS A 1 289 ? 32.687 0.448 10.339 1.00 28.93 ? 630 CYS A O 1 ATOM 2196 C CB . CYS A 1 289 ? 33.582 1.270 7.618 1.00 30.71 ? 630 CYS A CB 1 ATOM 2197 S SG . CYS A 1 289 ? 34.665 1.516 6.203 1.00 31.90 ? 630 CYS A SG 1 ATOM 2198 N N . LEU A 1 290 ? 32.967 2.657 10.742 1.00 28.32 ? 631 LEU A N 1 ATOM 2199 C CA . LEU A 1 290 ? 32.079 2.712 11.895 1.00 27.56 ? 631 LEU A CA 1 ATOM 2200 C C . LEU A 1 290 ? 30.630 2.407 11.528 1.00 27.26 ? 631 LEU A C 1 ATOM 2201 O O . LEU A 1 290 ? 29.872 1.883 12.347 1.00 27.00 ? 631 LEU A O 1 ATOM 2202 C CB . LEU A 1 290 ? 32.177 4.087 12.566 1.00 27.43 ? 631 LEU A CB 1 ATOM 2203 C CG . LEU A 1 290 ? 31.525 4.283 13.939 1.00 27.18 ? 631 LEU A CG 1 ATOM 2204 C CD1 . LEU A 1 290 ? 31.959 3.199 14.916 1.00 26.70 ? 631 LEU A CD1 1 ATOM 2205 C CD2 . LEU A 1 290 ? 31.838 5.662 14.494 1.00 26.70 ? 631 LEU A CD2 1 ATOM 2206 N N . PHE A 1 291 ? 30.254 2.729 10.294 1.00 27.05 ? 632 PHE A N 1 ATOM 2207 C CA . PHE A 1 291 ? 28.869 2.590 9.870 1.00 27.00 ? 632 PHE A CA 1 ATOM 2208 C C . PHE A 1 291 ? 28.644 1.409 8.919 1.00 27.35 ? 632 PHE A C 1 ATOM 2209 O O . PHE A 1 291 ? 27.644 1.376 8.204 1.00 27.32 ? 632 PHE A O 1 ATOM 2210 C CB . PHE A 1 291 ? 28.349 3.909 9.277 1.00 26.80 ? 632 PHE A CB 1 ATOM 2211 C CG . PHE A 1 291 ? 28.583 5.114 10.160 1.00 26.40 ? 632 PHE A CG 1 ATOM 2212 C CD1 . PHE A 1 291 ? 28.286 5.071 11.523 1.00 25.91 ? 632 PHE A CD1 1 ATOM 2213 C CD2 . PHE A 1 291 ? 29.089 6.295 9.625 1.00 26.10 ? 632 PHE A CD2 1 ATOM 2214 C CE1 . PHE A 1 291 ? 28.503 6.178 12.339 1.00 25.97 ? 632 PHE A CE1 1 ATOM 2215 C CE2 . PHE A 1 291 ? 29.305 7.411 10.435 1.00 26.18 ? 632 PHE A CE2 1 ATOM 2216 C CZ . PHE A 1 291 ? 29.012 7.351 11.794 1.00 25.93 ? 632 PHE A CZ 1 ATOM 2217 N N . LYS A 1 292 ? 29.568 0.447 8.920 1.00 27.73 ? 633 LYS A N 1 ATOM 2218 C CA . LYS A 1 292 ? 29.374 -0.810 8.188 1.00 28.30 ? 633 LYS A CA 1 ATOM 2219 C C . LYS A 1 292 ? 29.400 -2.018 9.121 1.00 28.55 ? 633 LYS A C 1 ATOM 2220 O O . LYS A 1 292 ? 30.148 -2.039 10.101 1.00 28.53 ? 633 LYS A O 1 ATOM 2221 C CB . LYS A 1 292 ? 30.422 -1.003 7.078 1.00 28.41 ? 633 LYS A CB 1 ATOM 2222 C CG . LYS A 1 292 ? 30.454 0.051 5.949 1.00 29.02 ? 633 LYS A CG 1 ATOM 2223 C CD . LYS A 1 292 ? 29.085 0.619 5.548 1.00 30.39 ? 633 LYS A CD 1 ATOM 2224 C CE . LYS A 1 292 ? 28.209 -0.364 4.780 1.00 31.18 ? 633 LYS A CE 1 ATOM 2225 N NZ . LYS A 1 292 ? 26.873 0.243 4.486 1.00 31.95 ? 633 LYS A NZ 1 ATOM 2226 N N . SER A 1 293 ? 28.446 -2.918 8.870 1.00 29.04 ? 634 SER A N 1 ATOM 2227 C CA . SER A 1 293 ? 28.254 -4.158 9.618 1.00 29.56 ? 634 SER A CA 1 ATOM 2228 C C . SER A 1 293 ? 27.757 -5.340 8.762 1.00 30.06 ? 634 SER A C 1 ATOM 2229 O O . SER A 1 293 ? 27.189 -6.289 9.303 1.00 30.11 ? 634 SER A O 1 ATOM 2230 C CB . SER A 1 293 ? 27.299 -3.928 10.792 1.00 29.54 ? 634 SER A CB 1 ATOM 2231 O OG . SER A 1 293 ? 25.950 -3.936 10.361 1.00 29.31 ? 634 SER A OG 1 ATOM 2232 N N . GLU A 1 294 ? 27.953 -5.289 7.445 1.00 30.56 ? 635 GLU A N 1 ATOM 2233 C CA . GLU A 1 294 ? 27.443 -6.346 6.559 1.00 30.96 ? 635 GLU A CA 1 ATOM 2234 C C . GLU A 1 294 ? 25.917 -6.511 6.649 1.00 30.64 ? 635 GLU A C 1 ATOM 2235 O O . GLU A 1 294 ? 25.395 -7.625 6.692 1.00 30.85 ? 635 GLU A O 1 ATOM 2236 C CB . GLU A 1 294 ? 28.134 -7.678 6.860 1.00 31.29 ? 635 GLU A CB 1 ATOM 2237 C CG . GLU A 1 294 ? 29.641 -7.652 6.666 1.00 32.67 ? 635 GLU A CG 1 ATOM 2238 C CD . GLU A 1 294 ? 30.290 -8.990 6.964 1.00 34.45 ? 635 GLU A CD 1 ATOM 2239 O OE1 . GLU A 1 294 ? 31.528 -9.094 6.835 1.00 35.48 ? 635 GLU A OE1 1 ATOM 2240 O OE2 . GLU A 1 294 ? 29.561 -9.937 7.328 1.00 35.27 ? 635 GLU A OE2 1 ATOM 2241 N N . THR A 1 295 ? 25.228 -5.376 6.687 1.00 30.04 ? 636 THR A N 1 ATOM 2242 C CA . THR A 1 295 ? 23.759 -5.265 6.867 1.00 29.21 ? 636 THR A CA 1 ATOM 2243 C C . THR A 1 295 ? 23.193 -5.584 8.262 1.00 28.17 ? 636 THR A C 1 ATOM 2244 O O . THR A 1 295 ? 21.977 -5.538 8.460 1.00 28.35 ? 636 THR A O 1 ATOM 2245 C CB . THR A 1 295 ? 22.935 -6.037 5.791 1.00 29.49 ? 636 THR A CB 1 ATOM 2246 O OG1 . THR A 1 295 ? 22.957 -7.442 6.077 1.00 30.04 ? 636 THR A OG1 1 ATOM 2247 C CG2 . THR A 1 295 ? 23.470 -5.780 4.383 1.00 29.73 ? 636 THR A CG2 1 ATOM 2248 N N . LYS A 1 296 ? 24.061 -5.871 9.227 1.00 26.49 ? 637 LYS A N 1 ATOM 2249 C CA . LYS A 1 296 ? 23.601 -6.284 10.550 1.00 24.86 ? 637 LYS A CA 1 ATOM 2250 C C . LYS A 1 296 ? 23.313 -5.115 11.489 1.00 23.35 ? 637 LYS A C 1 ATOM 2251 O O . LYS A 1 296 ? 22.868 -5.319 12.621 1.00 23.08 ? 637 LYS A O 1 ATOM 2252 C CB . LYS A 1 296 ? 24.600 -7.247 11.184 1.00 25.15 ? 637 LYS A CB 1 ATOM 2253 C CG . LYS A 1 296 ? 24.702 -8.585 10.465 1.00 26.03 ? 637 LYS A CG 1 ATOM 2254 C CD . LYS A 1 296 ? 25.507 -9.580 11.275 1.00 27.59 ? 637 LYS A CD 1 ATOM 2255 C CE . LYS A 1 296 ? 24.848 -9.851 12.615 1.00 28.54 ? 637 LYS A CE 1 ATOM 2256 N NZ . LYS A 1 296 ? 23.711 -10.818 12.558 1.00 29.21 ? 637 LYS A NZ 1 ATOM 2257 N N . ASN A 1 297 ? 23.568 -3.897 11.010 1.00 21.52 ? 638 ASN A N 1 ATOM 2258 C CA . ASN A 1 297 ? 23.299 -2.672 11.769 1.00 19.92 ? 638 ASN A CA 1 ATOM 2259 C C . ASN A 1 297 ? 23.857 -2.713 13.192 1.00 18.93 ? 638 ASN A C 1 ATOM 2260 O O . ASN A 1 297 ? 23.152 -2.406 14.158 1.00 18.66 ? 638 ASN A O 1 ATOM 2261 C CB . ASN A 1 297 ? 21.794 -2.371 11.797 1.00 19.77 ? 638 ASN A CB 1 ATOM 2262 C CG . ASN A 1 297 ? 21.218 -2.109 10.416 1.00 19.58 ? 638 ASN A CG 1 ATOM 2263 O OD1 . ASN A 1 297 ? 21.841 -1.459 9.577 1.00 19.09 ? 638 ASN A OD1 1 ATOM 2264 N ND2 . ASN A 1 297 ? 20.010 -2.608 10.180 1.00 19.10 ? 638 ASN A ND2 1 ATOM 2265 N N . LEU A 1 298 ? 25.123 -3.105 13.309 1.00 17.75 ? 639 LEU A N 1 ATOM 2266 C CA . LEU A 1 298 ? 25.790 -3.204 14.604 1.00 16.83 ? 639 LEU A CA 1 ATOM 2267 C C . LEU A 1 298 ? 26.344 -1.849 15.035 1.00 16.39 ? 639 LEU A C 1 ATOM 2268 O O . LEU A 1 298 ? 27.113 -1.224 14.301 1.00 16.16 ? 639 LEU A O 1 ATOM 2269 C CB . LEU A 1 298 ? 26.910 -4.251 14.567 1.00 16.88 ? 639 LEU A CB 1 ATOM 2270 C CG . LEU A 1 298 ? 26.567 -5.678 14.115 1.00 16.82 ? 639 LEU A CG 1 ATOM 2271 C CD1 . LEU A 1 298 ? 27.828 -6.522 14.019 1.00 17.28 ? 639 LEU A CD1 1 ATOM 2272 C CD2 . LEU A 1 298 ? 25.546 -6.338 15.043 1.00 17.16 ? 639 LEU A CD2 1 ATOM 2273 N N . LEU A 1 299 ? 25.936 -1.418 16.231 1.00 15.79 ? 640 LEU A N 1 ATOM 2274 C CA . LEU A 1 299 ? 26.323 -0.134 16.851 1.00 15.52 ? 640 LEU A CA 1 ATOM 2275 C C . LEU A 1 299 ? 25.596 1.050 16.222 1.00 15.52 ? 640 LEU A C 1 ATOM 2276 O O . LEU A 1 299 ? 25.036 1.884 16.930 1.00 15.48 ? 640 LEU A O 1 ATOM 2277 C CB . LEU A 1 299 ? 27.845 0.094 16.845 1.00 15.51 ? 640 LEU A CB 1 ATOM 2278 C CG . LEU A 1 299 ? 28.769 -0.942 17.502 1.00 15.45 ? 640 LEU A CG 1 ATOM 2279 C CD1 . LEU A 1 299 ? 30.214 -0.466 17.424 1.00 15.91 ? 640 LEU A CD1 1 ATOM 2280 C CD2 . LEU A 1 299 ? 28.379 -1.247 18.950 1.00 15.22 ? 640 LEU A CD2 1 ATOM 2281 N N . PHE A 1 300 ? 25.624 1.114 14.893 1.00 15.54 ? 641 PHE A N 1 ATOM 2282 C CA . PHE A 1 300 ? 24.889 2.114 14.126 1.00 15.81 ? 641 PHE A CA 1 ATOM 2283 C C . PHE A 1 300 ? 24.217 1.422 12.963 1.00 16.15 ? 641 PHE A C 1 ATOM 2284 O O . PHE A 1 300 ? 24.645 0.343 12.551 1.00 16.18 ? 641 PHE A O 1 ATOM 2285 C CB . PHE A 1 300 ? 25.837 3.183 13.583 1.00 15.67 ? 641 PHE A CB 1 ATOM 2286 C CG . PHE A 1 300 ? 26.613 3.885 14.646 1.00 15.82 ? 641 PHE A CG 1 ATOM 2287 C CD1 . PHE A 1 300 ? 26.078 4.992 15.291 1.00 16.08 ? 641 PHE A CD1 1 ATOM 2288 C CD2 . PHE A 1 300 ? 27.867 3.423 15.026 1.00 16.07 ? 641 PHE A CD2 1 ATOM 2289 C CE1 . PHE A 1 300 ? 26.787 5.636 16.294 1.00 15.88 ? 641 PHE A CE1 1 ATOM 2290 C CE2 . PHE A 1 300 ? 28.583 4.062 16.029 1.00 16.22 ? 641 PHE A CE2 1 ATOM 2291 C CZ . PHE A 1 300 ? 28.043 5.171 16.659 1.00 15.93 ? 641 PHE A CZ 1 ATOM 2292 N N . ASN A 1 301 ? 23.171 2.037 12.425 1.00 16.77 ? 642 ASN A N 1 ATOM 2293 C CA . ASN A 1 301 ? 22.599 1.549 11.179 1.00 17.60 ? 642 ASN A CA 1 ATOM 2294 C C . ASN A 1 301 ? 23.604 1.654 10.041 1.00 18.35 ? 642 ASN A C 1 ATOM 2295 O O . ASN A 1 301 ? 24.348 2.635 9.941 1.00 18.47 ? 642 ASN A O 1 ATOM 2296 C CB . ASN A 1 301 ? 21.313 2.292 10.831 1.00 17.41 ? 642 ASN A CB 1 ATOM 2297 C CG . ASN A 1 301 ? 20.148 1.861 11.691 1.00 17.23 ? 642 ASN A CG 1 ATOM 2298 O OD1 . ASN A 1 301 ? 19.878 0.667 11.844 1.00 17.60 ? 642 ASN A OD1 1 ATOM 2299 N ND2 . ASN A 1 301 ? 19.443 2.831 12.258 1.00 16.77 ? 642 ASN A ND2 1 ATOM 2300 N N . ASP A 1 302 ? 23.619 0.633 9.190 1.00 19.36 ? 643 ASP A N 1 ATOM 2301 C CA . ASP A 1 302 ? 24.550 0.577 8.066 1.00 20.46 ? 643 ASP A CA 1 ATOM 2302 C C . ASP A 1 302 ? 24.343 1.694 7.042 1.00 20.99 ? 643 ASP A C 1 ATOM 2303 O O . ASP A 1 302 ? 25.264 2.020 6.289 1.00 21.28 ? 643 ASP A O 1 ATOM 2304 C CB . ASP A 1 302 ? 24.495 -0.793 7.389 1.00 20.68 ? 643 ASP A CB 1 ATOM 2305 C CG . ASP A 1 302 ? 24.901 -1.915 8.323 1.00 21.78 ? 643 ASP A CG 1 ATOM 2306 O OD1 . ASP A 1 302 ? 25.771 -1.706 9.192 1.00 22.90 ? 643 ASP A OD1 1 ATOM 2307 O OD2 . ASP A 1 302 ? 24.338 -3.013 8.196 1.00 24.15 ? 643 ASP A OD2 1 ATOM 2308 N N . ASN A 1 303 ? 23.148 2.278 7.018 1.00 21.57 ? 644 ASN A N 1 ATOM 2309 C CA . ASN A 1 303 ? 22.861 3.379 6.098 1.00 22.33 ? 644 ASN A CA 1 ATOM 2310 C C . ASN A 1 303 ? 23.185 4.774 6.652 1.00 22.62 ? 644 ASN A C 1 ATOM 2311 O O . ASN A 1 303 ? 22.828 5.786 6.043 1.00 22.84 ? 644 ASN A O 1 ATOM 2312 C CB . ASN A 1 303 ? 21.415 3.305 5.587 1.00 22.58 ? 644 ASN A CB 1 ATOM 2313 C CG . ASN A 1 303 ? 20.382 3.608 6.665 1.00 23.03 ? 644 ASN A CG 1 ATOM 2314 O OD1 . ASN A 1 303 ? 20.708 3.777 7.841 1.00 23.70 ? 644 ASN A OD1 1 ATOM 2315 N ND2 . ASN A 1 303 ? 19.122 3.674 6.259 1.00 24.42 ? 644 ASN A ND2 1 ATOM 2316 N N . THR A 1 304 ? 23.860 4.825 7.799 1.00 22.84 ? 645 THR A N 1 ATOM 2317 C CA . THR A 1 304 ? 24.251 6.098 8.407 1.00 23.07 ? 645 THR A CA 1 ATOM 2318 C C . THR A 1 304 ? 25.371 6.761 7.599 1.00 23.54 ? 645 THR A C 1 ATOM 2319 O O . THR A 1 304 ? 26.413 6.151 7.355 1.00 23.41 ? 645 THR A O 1 ATOM 2320 C CB . THR A 1 304 ? 24.700 5.916 9.880 1.00 23.01 ? 645 THR A CB 1 ATOM 2321 O OG1 . THR A 1 304 ? 23.686 5.217 10.612 1.00 22.61 ? 645 THR A OG1 1 ATOM 2322 C CG2 . THR A 1 304 ? 24.954 7.261 10.545 1.00 22.66 ? 645 THR A CG2 1 ATOM 2323 N N . GLU A 1 305 ? 25.137 8.003 7.180 1.00 24.18 ? 646 GLU A N 1 ATOM 2324 C CA . GLU A 1 305 ? 26.143 8.795 6.471 1.00 25.04 ? 646 GLU A CA 1 ATOM 2325 C C . GLU A 1 305 ? 27.066 9.484 7.473 1.00 25.06 ? 646 GLU A C 1 ATOM 2326 O O . GLU A 1 305 ? 28.283 9.530 7.283 1.00 25.19 ? 646 GLU A O 1 ATOM 2327 C CB . GLU A 1 305 ? 25.470 9.834 5.568 1.00 25.27 ? 646 GLU A CB 1 ATOM 2328 C CG . GLU A 1 305 ? 26.443 10.717 4.780 1.00 27.24 ? 646 GLU A CG 1 ATOM 2329 C CD . GLU A 1 305 ? 25.789 11.951 4.177 1.00 29.31 ? 646 GLU A CD 1 ATOM 2330 O OE1 . GLU A 1 305 ? 24.544 12.074 4.231 1.00 30.50 ? 646 GLU A OE1 1 ATOM 2331 O OE2 . GLU A 1 305 ? 26.529 12.809 3.648 1.00 30.67 ? 646 GLU A OE2 1 ATOM 2332 N N . CYS A 1 306 ? 26.471 10.014 8.539 1.00 25.23 ? 647 CYS A N 1 ATOM 2333 C CA . CYS A 1 306 ? 27.212 10.672 9.609 1.00 25.61 ? 647 CYS A CA 1 ATOM 2334 C C . CYS A 1 306 ? 26.355 10.776 10.862 1.00 24.64 ? 647 CYS A C 1 ATOM 2335 O O . CYS A 1 306 ? 25.145 10.540 10.827 1.00 24.39 ? 647 CYS A O 1 ATOM 2336 C CB . CYS A 1 306 ? 27.643 12.078 9.180 1.00 26.39 ? 647 CYS A CB 1 ATOM 2337 S SG . CYS A 1 306 ? 26.320 13.294 9.278 1.00 30.87 ? 647 CYS A SG 1 ATOM 2338 N N . LEU A 1 307 ? 26.994 11.140 11.966 1.00 23.91 ? 648 LEU A N 1 ATOM 2339 C CA . LEU A 1 307 ? 26.281 11.543 13.164 1.00 23.31 ? 648 LEU A CA 1 ATOM 2340 C C . LEU A 1 307 ? 26.183 13.065 13.157 1.00 23.12 ? 648 LEU A C 1 ATOM 2341 O O . LEU A 1 307 ? 27.197 13.761 13.039 1.00 23.15 ? 648 LEU A O 1 ATOM 2342 C CB . LEU A 1 307 ? 26.989 11.027 14.418 1.00 23.15 ? 648 LEU A CB 1 ATOM 2343 C CG . LEU A 1 307 ? 27.143 9.503 14.507 1.00 23.09 ? 648 LEU A CG 1 ATOM 2344 C CD1 . LEU A 1 307 ? 28.170 9.128 15.560 1.00 22.96 ? 648 LEU A CD1 1 ATOM 2345 C CD2 . LEU A 1 307 ? 25.807 8.826 14.786 1.00 22.76 ? 648 LEU A CD2 1 ATOM 2346 N N . ALA A 1 308 ? 24.957 13.568 13.263 1.00 22.87 ? 649 ALA A N 1 ATOM 2347 C CA . ALA A 1 308 ? 24.683 14.996 13.130 1.00 22.87 ? 649 ALA A CA 1 ATOM 2348 C C . ALA A 1 308 ? 24.452 15.693 14.466 1.00 22.91 ? 649 ALA A C 1 ATOM 2349 O O . ALA A 1 308 ? 23.840 15.133 15.382 1.00 22.72 ? 649 ALA A O 1 ATOM 2350 C CB . ALA A 1 308 ? 23.492 15.219 12.206 1.00 22.73 ? 649 ALA A CB 1 ATOM 2351 N N . LYS A 1 309 ? 24.942 16.927 14.557 1.00 23.16 ? 650 LYS A N 1 ATOM 2352 C CA . LYS A 1 309 ? 24.685 17.795 15.702 1.00 23.49 ? 650 LYS A CA 1 ATOM 2353 C C . LYS A 1 309 ? 23.196 18.114 15.801 1.00 23.46 ? 650 LYS A C 1 ATOM 2354 O O . LYS A 1 309 ? 22.500 18.203 14.784 1.00 23.46 ? 650 LYS A O 1 ATOM 2355 C CB . LYS A 1 309 ? 25.505 19.084 15.590 1.00 23.67 ? 650 LYS A CB 1 ATOM 2356 C CG . LYS A 1 309 ? 27.009 18.886 15.749 1.00 24.85 ? 650 LYS A CG 1 ATOM 2357 C CD . LYS A 1 309 ? 27.753 20.202 15.572 1.00 26.83 ? 650 LYS A CD 1 ATOM 2358 C CE . LYS A 1 309 ? 29.052 20.211 16.363 1.00 28.03 ? 650 LYS A CE 1 ATOM 2359 N NZ . LYS A 1 309 ? 29.664 21.570 16.405 1.00 29.36 ? 650 LYS A NZ 1 ATOM 2360 N N . LEU A 1 310 ? 22.712 18.276 17.028 1.00 23.57 ? 651 LEU A N 1 ATOM 2361 C CA . LEU A 1 310 ? 21.296 18.522 17.274 1.00 23.87 ? 651 LEU A CA 1 ATOM 2362 C C . LEU A 1 310 ? 21.032 19.995 17.547 1.00 24.24 ? 651 LEU A C 1 ATOM 2363 O O . LEU A 1 310 ? 21.522 20.544 18.536 1.00 24.78 ? 651 LEU A O 1 ATOM 2364 C CB . LEU A 1 310 ? 20.807 17.688 18.461 1.00 23.69 ? 651 LEU A CB 1 ATOM 2365 C CG . LEU A 1 310 ? 21.173 16.203 18.503 1.00 23.46 ? 651 LEU A CG 1 ATOM 2366 C CD1 . LEU A 1 310 ? 20.824 15.615 19.852 1.00 23.52 ? 651 LEU A CD1 1 ATOM 2367 C CD2 . LEU A 1 310 ? 20.467 15.449 17.391 1.00 23.14 ? 651 LEU A CD2 1 ATOM 2368 N N . GLY A 1 311 ? 20.256 20.641 16.686 1.00 24.43 ? 652 GLY A N 1 ATOM 2369 C CA . GLY A 1 311 ? 19.947 22.042 16.896 1.00 24.36 ? 652 GLY A CA 1 ATOM 2370 C C . GLY A 1 311 ? 19.123 22.265 18.151 1.00 24.20 ? 652 GLY A C 1 ATOM 2371 O O . GLY A 1 311 ? 18.160 21.544 18.412 1.00 24.57 ? 652 GLY A O 1 ATOM 2372 N N . GLY A 1 312 ? 19.502 23.278 18.923 1.00 23.81 ? 653 GLY A N 1 ATOM 2373 C CA . GLY A 1 312 ? 18.774 23.662 20.120 1.00 23.24 ? 653 GLY A CA 1 ATOM 2374 C C . GLY A 1 312 ? 19.056 22.880 21.392 1.00 22.75 ? 653 GLY A C 1 ATOM 2375 O O . GLY A 1 312 ? 18.451 23.156 22.428 1.00 22.72 ? 653 GLY A O 1 ATOM 2376 N N . ARG A 1 313 ? 19.925 21.929 21.375 1.00 22.33 ? 654 ARG A N 1 ATOM 2377 C CA . ARG A 1 313 ? 20.130 21.253 22.624 1.00 22.00 ? 654 ARG A CA 1 ATOM 2378 C C . ARG A 1 313 ? 18.964 20.513 23.224 1.00 21.01 ? 654 ARG A C 1 ATOM 2379 O O . ARG A 1 313 ? 18.728 20.543 24.389 1.00 20.79 ? 654 ARG A O 1 ATOM 2380 C CB . ARG A 1 313 ? 20.688 22.243 23.607 1.00 22.50 ? 654 ARG A CB 1 ATOM 2381 C CG . ARG A 1 313 ? 21.955 22.808 23.125 1.00 24.66 ? 654 ARG A CG 1 ATOM 2382 C CD . ARG A 1 313 ? 22.912 22.921 24.192 1.00 28.63 ? 654 ARG A CD 1 ATOM 2383 N NE . ARG A 1 313 ? 24.225 22.989 23.633 1.00 31.57 ? 654 ARG A NE 1 ATOM 2384 C CZ . ARG A 1 313 ? 25.321 22.657 24.274 1.00 33.07 ? 654 ARG A CZ 1 ATOM 2385 N NH1 . ARG A 1 313 ? 25.229 22.261 25.531 1.00 33.71 ? 654 ARG A NH1 1 ATOM 2386 N NH2 . ARG A 1 313 ? 26.489 22.720 23.640 1.00 33.94 ? 654 ARG A NH2 1 ATOM 2387 N N . PRO A 1 314 ? 18.226 19.841 22.370 1.00 20.05 ? 655 PRO A N 1 ATOM 2388 C CA . PRO A 1 314 ? 16.957 19.278 22.764 1.00 19.37 ? 655 PRO A CA 1 ATOM 2389 C C . PRO A 1 314 ? 17.013 18.317 23.928 1.00 18.77 ? 655 PRO A C 1 ATOM 2390 O O . PRO A 1 314 ? 17.899 17.538 24.031 1.00 18.68 ? 655 PRO A O 1 ATOM 2391 C CB . PRO A 1 314 ? 16.525 18.508 21.524 1.00 19.37 ? 655 PRO A CB 1 ATOM 2392 C CG . PRO A 1 314 ? 17.704 18.161 20.887 1.00 19.67 ? 655 PRO A CG 1 ATOM 2393 C CD . PRO A 1 314 ? 18.745 19.196 21.174 1.00 20.09 ? 655 PRO A CD 1 ATOM 2394 N N . THR A 1 315 ? 16.005 18.386 24.759 1.00 18.43 ? 656 THR A N 1 ATOM 2395 C CA . THR A 1 315 ? 15.784 17.360 25.764 1.00 18.09 ? 656 THR A CA 1 ATOM 2396 C C . THR A 1 315 ? 15.348 16.110 25.003 1.00 18.05 ? 656 THR A C 1 ATOM 2397 O O . THR A 1 315 ? 15.056 16.186 23.805 1.00 17.62 ? 656 THR A O 1 ATOM 2398 C CB . THR A 1 315 ? 14.677 17.760 26.745 1.00 18.17 ? 656 THR A CB 1 ATOM 2399 O OG1 . THR A 1 315 ? 13.425 17.837 26.051 1.00 18.43 ? 656 THR A OG1 1 ATOM 2400 C CG2 . THR A 1 315 ? 14.984 19.108 27.393 1.00 17.73 ? 656 THR A CG2 1 ATOM 2401 N N . TYR A 1 316 ? 15.285 14.968 25.679 1.00 17.97 ? 657 TYR A N 1 ATOM 2402 C CA . TYR A 1 316 ? 14.854 13.752 24.996 1.00 18.30 ? 657 TYR A CA 1 ATOM 2403 C C . TYR A 1 316 ? 13.411 13.880 24.484 1.00 18.68 ? 657 TYR A C 1 ATOM 2404 O O . TYR A 1 316 ? 13.069 13.323 23.436 1.00 18.48 ? 657 TYR A O 1 ATOM 2405 C CB . TYR A 1 316 ? 15.034 12.520 25.887 1.00 18.26 ? 657 TYR A CB 1 ATOM 2406 C CG . TYR A 1 316 ? 13.900 12.253 26.848 1.00 18.61 ? 657 TYR A CG 1 ATOM 2407 C CD1 . TYR A 1 316 ? 12.891 11.346 26.527 1.00 18.97 ? 657 TYR A CD1 1 ATOM 2408 C CD2 . TYR A 1 316 ? 13.841 12.898 28.084 1.00 19.05 ? 657 TYR A CD2 1 ATOM 2409 C CE1 . TYR A 1 316 ? 11.849 11.091 27.409 1.00 20.18 ? 657 TYR A CE1 1 ATOM 2410 C CE2 . TYR A 1 316 ? 12.805 12.648 28.974 1.00 19.82 ? 657 TYR A CE2 1 ATOM 2411 C CZ . TYR A 1 316 ? 11.814 11.744 28.632 1.00 20.70 ? 657 TYR A CZ 1 ATOM 2412 O OH . TYR A 1 316 ? 10.786 11.498 29.511 1.00 22.04 ? 657 TYR A OH 1 ATOM 2413 N N . GLU A 1 317 ? 12.584 14.627 25.213 1.00 19.03 ? 658 GLU A N 1 ATOM 2414 C CA . GLU A 1 317 ? 11.186 14.843 24.834 1.00 19.80 ? 658 GLU A CA 1 ATOM 2415 C C . GLU A 1 317 ? 11.068 15.715 23.587 1.00 19.55 ? 658 GLU A C 1 ATOM 2416 O O . GLU A 1 317 ? 10.219 15.466 22.725 1.00 19.62 ? 658 GLU A O 1 ATOM 2417 C CB . GLU A 1 317 ? 10.383 15.433 25.998 1.00 20.18 ? 658 GLU A CB 1 ATOM 2418 C CG . GLU A 1 317 ? 10.064 14.421 27.097 1.00 22.53 ? 658 GLU A CG 1 ATOM 2419 C CD . GLU A 1 317 ? 9.329 15.031 28.275 1.00 25.69 ? 658 GLU A CD 1 ATOM 2420 O OE1 . GLU A 1 317 ? 9.983 15.630 29.158 1.00 27.69 ? 658 GLU A OE1 1 ATOM 2421 O OE2 . GLU A 1 317 ? 8.089 14.893 28.328 1.00 27.69 ? 658 GLU A OE2 1 ATOM 2422 N N . GLU A 1 318 ? 11.934 16.722 23.489 1.00 19.30 ? 659 GLU A N 1 ATOM 2423 C CA . GLU A 1 318 ? 12.006 17.565 22.299 1.00 19.09 ? 659 GLU A CA 1 ATOM 2424 C C . GLU A 1 318 ? 12.540 16.790 21.101 1.00 18.98 ? 659 GLU A C 1 ATOM 2425 O O . GLU A 1 318 ? 12.041 16.951 19.982 1.00 18.85 ? 659 GLU A O 1 ATOM 2426 C CB . GLU A 1 318 ? 12.881 18.790 22.553 1.00 19.09 ? 659 GLU A CB 1 ATOM 2427 C CG . GLU A 1 318 ? 12.277 19.785 23.513 1.00 18.92 ? 659 GLU A CG 1 ATOM 2428 C CD . GLU A 1 318 ? 13.210 20.937 23.795 1.00 18.60 ? 659 GLU A CD 1 ATOM 2429 O OE1 . GLU A 1 318 ? 14.388 20.691 24.134 1.00 17.29 ? 659 GLU A OE1 1 ATOM 2430 O OE2 . GLU A 1 318 ? 12.769 22.101 23.672 1.00 20.37 ? 659 GLU A OE2 1 ATOM 2431 N N . TYR A 1 319 ? 13.548 15.949 21.339 1.00 18.73 ? 660 TYR A N 1 ATOM 2432 C CA . TYR A 1 319 ? 14.144 15.156 20.269 1.00 18.84 ? 660 TYR A CA 1 ATOM 2433 C C . TYR A 1 319 ? 13.153 14.153 19.680 1.00 19.19 ? 660 TYR A C 1 ATOM 2434 O O . TYR A 1 319 ? 13.059 14.014 18.457 1.00 19.35 ? 660 TYR A O 1 ATOM 2435 C CB . TYR A 1 319 ? 15.422 14.432 20.716 1.00 18.57 ? 660 TYR A CB 1 ATOM 2436 C CG . TYR A 1 319 ? 16.006 13.633 19.579 1.00 17.85 ? 660 TYR A CG 1 ATOM 2437 C CD1 . TYR A 1 319 ? 16.779 14.250 18.600 1.00 17.71 ? 660 TYR A CD1 1 ATOM 2438 C CD2 . TYR A 1 319 ? 15.730 12.271 19.442 1.00 17.46 ? 660 TYR A CD2 1 ATOM 2439 C CE1 . TYR A 1 319 ? 17.289 13.534 17.530 1.00 17.09 ? 660 TYR A CE1 1 ATOM 2440 C CE2 . TYR A 1 319 ? 16.234 11.544 18.372 1.00 16.71 ? 660 TYR A CE2 1 ATOM 2441 C CZ . TYR A 1 319 ? 17.011 12.183 17.421 1.00 16.83 ? 660 TYR A CZ 1 ATOM 2442 O OH . TYR A 1 319 ? 17.519 11.477 16.357 1.00 15.98 ? 660 TYR A OH 1 ATOM 2443 N N . LEU A 1 320 ? 12.431 13.454 20.552 1.00 19.55 ? 661 LEU A N 1 ATOM 2444 C CA . LEU A 1 320 ? 11.444 12.462 20.123 1.00 20.30 ? 661 LEU A CA 1 ATOM 2445 C C . LEU A 1 320 ? 10.189 13.105 19.542 1.00 21.32 ? 661 LEU A C 1 ATOM 2446 O O . LEU A 1 320 ? 9.528 12.518 18.682 1.00 21.12 ? 661 LEU A O 1 ATOM 2447 C CB . LEU A 1 320 ? 11.071 11.529 21.278 1.00 19.86 ? 661 LEU A CB 1 ATOM 2448 C CG . LEU A 1 320 ? 12.182 10.620 21.814 1.00 19.21 ? 661 LEU A CG 1 ATOM 2449 C CD1 . LEU A 1 320 ? 11.680 9.814 22.999 1.00 17.68 ? 661 LEU A CD1 1 ATOM 2450 C CD2 . LEU A 1 320 ? 12.731 9.698 20.729 1.00 18.26 ? 661 LEU A CD2 1 ATOM 2451 N N . GLY A 1 321 ? 9.871 14.309 20.013 1.00 22.39 ? 662 GLY A N 1 ATOM 2452 C CA . GLY A 1 321 ? 8.657 15.007 19.598 1.00 24.15 ? 662 GLY A CA 1 ATOM 2453 C C . GLY A 1 321 ? 7.490 14.670 20.502 1.00 25.25 ? 662 GLY A C 1 ATOM 2454 O O . GLY A 1 321 ? 7.305 13.511 20.889 1.00 25.34 ? 662 GLY A O 1 ATOM 2455 N N . THR A 1 322 ? 6.696 15.688 20.830 1.00 26.30 ? 663 THR A N 1 ATOM 2456 C CA . THR A 1 322 ? 5.610 15.567 21.808 1.00 27.30 ? 663 THR A CA 1 ATOM 2457 C C . THR A 1 322 ? 4.606 14.464 21.485 1.00 27.66 ? 663 THR A C 1 ATOM 2458 O O . THR A 1 322 ? 4.190 13.724 22.380 1.00 27.93 ? 663 THR A O 1 ATOM 2459 C CB . THR A 1 322 ? 4.845 16.898 21.983 1.00 27.37 ? 663 THR A CB 1 ATOM 2460 O OG1 . THR A 1 322 ? 4.410 17.374 20.703 1.00 28.16 ? 663 THR A OG1 1 ATOM 2461 C CG2 . THR A 1 322 ? 5.734 17.946 22.636 1.00 27.53 ? 663 THR A CG2 1 ATOM 2462 N N . GLU A 1 323 ? 4.224 14.353 20.215 1.00 27.99 ? 664 GLU A N 1 ATOM 2463 C CA . GLU A 1 323 ? 3.246 13.348 19.798 1.00 28.25 ? 664 GLU A CA 1 ATOM 2464 C C . GLU A 1 323 ? 3.754 11.917 19.981 1.00 27.75 ? 664 GLU A C 1 ATOM 2465 O O . GLU A 1 323 ? 3.002 11.049 20.421 1.00 27.89 ? 664 GLU A O 1 ATOM 2466 C CB . GLU A 1 323 ? 2.756 13.589 18.363 1.00 28.71 ? 664 GLU A CB 1 ATOM 2467 C CG . GLU A 1 323 ? 3.847 13.689 17.301 1.00 30.43 ? 664 GLU A CG 1 ATOM 2468 C CD . GLU A 1 323 ? 3.298 13.869 15.895 1.00 32.83 ? 664 GLU A CD 1 ATOM 2469 O OE1 . GLU A 1 323 ? 4.070 13.678 14.930 1.00 34.03 ? 664 GLU A OE1 1 ATOM 2470 O OE2 . GLU A 1 323 ? 2.100 14.201 15.746 1.00 33.90 ? 664 GLU A OE2 1 ATOM 2471 N N . TYR A 1 324 ? 5.023 11.674 19.661 1.00 27.11 ? 665 TYR A N 1 ATOM 2472 C CA . TYR A 1 324 ? 5.590 10.341 19.851 1.00 26.28 ? 665 TYR A CA 1 ATOM 2473 C C . TYR A 1 324 ? 5.720 9.992 21.338 1.00 26.59 ? 665 TYR A C 1 ATOM 2474 O O . TYR A 1 324 ? 5.404 8.871 21.740 1.00 26.44 ? 665 TYR A O 1 ATOM 2475 C CB . TYR A 1 324 ? 6.920 10.176 19.100 1.00 25.78 ? 665 TYR A CB 1 ATOM 2476 C CG . TYR A 1 324 ? 7.521 8.788 19.216 1.00 23.56 ? 665 TYR A CG 1 ATOM 2477 C CD1 . TYR A 1 324 ? 6.733 7.644 19.045 1.00 22.06 ? 665 TYR A CD1 1 ATOM 2478 C CD2 . TYR A 1 324 ? 8.877 8.618 19.487 1.00 21.76 ? 665 TYR A CD2 1 ATOM 2479 C CE1 . TYR A 1 324 ? 7.280 6.372 19.159 1.00 20.60 ? 665 TYR A CE1 1 ATOM 2480 C CE2 . TYR A 1 324 ? 9.435 7.348 19.596 1.00 20.53 ? 665 TYR A CE2 1 ATOM 2481 C CZ . TYR A 1 324 ? 8.631 6.234 19.432 1.00 19.75 ? 665 TYR A CZ 1 ATOM 2482 O OH . TYR A 1 324 ? 9.184 4.982 19.550 1.00 17.87 ? 665 TYR A OH 1 ATOM 2483 N N . VAL A 1 325 ? 6.153 10.958 22.148 1.00 26.92 ? 666 VAL A N 1 ATOM 2484 C CA . VAL A 1 325 ? 6.277 10.763 23.597 1.00 27.39 ? 666 VAL A CA 1 ATOM 2485 C C . VAL A 1 325 ? 4.928 10.380 24.219 1.00 27.79 ? 666 VAL A C 1 ATOM 2486 O O . VAL A 1 325 ? 4.852 9.457 25.037 1.00 27.88 ? 666 VAL A O 1 ATOM 2487 C CB . VAL A 1 325 ? 6.874 12.019 24.301 1.00 27.38 ? 666 VAL A CB 1 ATOM 2488 C CG1 . VAL A 1 325 ? 6.838 11.874 25.821 1.00 27.51 ? 666 VAL A CG1 1 ATOM 2489 C CG2 . VAL A 1 325 ? 8.301 12.265 23.834 1.00 27.34 ? 666 VAL A CG2 1 ATOM 2490 N N . THR A 1 326 ? 3.869 11.076 23.815 1.00 28.29 ? 667 THR A N 1 ATOM 2491 C CA . THR A 1 326 ? 2.535 10.798 24.344 1.00 28.74 ? 667 THR A CA 1 ATOM 2492 C C . THR A 1 326 ? 1.965 9.479 23.817 1.00 28.64 ? 667 THR A C 1 ATOM 2493 O O . THR A 1 326 ? 1.228 8.800 24.531 1.00 28.88 ? 667 THR A O 1 ATOM 2494 C CB . THR A 1 326 ? 1.544 11.965 24.111 1.00 28.83 ? 667 THR A CB 1 ATOM 2495 O OG1 . THR A 1 326 ? 1.512 12.309 22.721 1.00 29.85 ? 667 THR A OG1 1 ATOM 2496 C CG2 . THR A 1 326 ? 1.957 13.188 24.925 1.00 28.96 ? 667 THR A CG2 1 ATOM 2497 N N . ALA A 1 327 ? 2.320 9.117 22.583 1.00 28.51 ? 668 ALA A N 1 ATOM 2498 C CA . ALA A 1 327 ? 1.948 7.814 22.024 1.00 28.29 ? 668 ALA A CA 1 ATOM 2499 C C . ALA A 1 327 ? 2.549 6.669 22.844 1.00 28.23 ? 668 ALA A C 1 ATOM 2500 O O . ALA A 1 327 ? 1.857 5.698 23.160 1.00 28.05 ? 668 ALA A O 1 ATOM 2501 C CB . ALA A 1 327 ? 2.375 7.712 20.566 1.00 28.23 ? 668 ALA A CB 1 ATOM 2502 N N . ILE A 1 328 ? 3.833 6.794 23.187 1.00 28.23 ? 669 ILE A N 1 ATOM 2503 C CA . ILE A 1 328 ? 4.520 5.798 24.018 1.00 28.38 ? 669 ILE A CA 1 ATOM 2504 C C . ILE A 1 328 ? 3.886 5.737 25.405 1.00 28.95 ? 669 ILE A C 1 ATOM 2505 O O . ILE A 1 328 ? 3.587 4.651 25.907 1.00 28.92 ? 669 ILE A O 1 ATOM 2506 C CB . ILE A 1 328 ? 6.045 6.077 24.164 1.00 28.20 ? 669 ILE A CB 1 ATOM 2507 C CG1 . ILE A 1 328 ? 6.749 6.043 22.805 1.00 27.64 ? 669 ILE A CG1 1 ATOM 2508 C CG2 . ILE A 1 328 ? 6.693 5.064 25.120 1.00 27.91 ? 669 ILE A CG2 1 ATOM 2509 C CD1 . ILE A 1 328 ? 8.191 6.532 22.841 1.00 26.92 ? 669 ILE A CD1 1 ATOM 2510 N N . ALA A 1 329 ? 3.682 6.906 26.011 1.00 29.72 ? 670 ALA A N 1 ATOM 2511 C CA . ALA A 1 329 ? 3.071 7.004 27.335 1.00 30.36 ? 670 ALA A CA 1 ATOM 2512 C C . ALA A 1 329 ? 1.722 6.287 27.379 1.00 30.85 ? 670 ALA A C 1 ATOM 2513 O O . ALA A 1 329 ? 1.468 5.492 28.288 1.00 30.90 ? 670 ALA A O 1 ATOM 2514 C CB . ALA A 1 329 ? 2.922 8.462 27.747 1.00 30.42 ? 670 ALA A CB 1 ATOM 2515 N N . ASN A 1 330 ? 0.873 6.570 26.390 1.00 31.48 ? 671 ASN A N 1 ATOM 2516 C CA . ASN A 1 330 ? -0.423 5.907 26.242 1.00 32.13 ? 671 ASN A CA 1 ATOM 2517 C C . ASN A 1 330 ? -0.307 4.394 26.102 1.00 32.45 ? 671 ASN A C 1 ATOM 2518 O O . ASN A 1 330 ? -1.073 3.652 26.720 1.00 32.39 ? 671 ASN A O 1 ATOM 2519 C CB . ASN A 1 330 ? -1.195 6.476 25.047 1.00 32.21 ? 671 ASN A CB 1 ATOM 2520 C CG . ASN A 1 330 ? -2.056 7.669 25.418 1.00 32.82 ? 671 ASN A CG 1 ATOM 2521 O OD1 . ASN A 1 330 ? -2.932 7.577 26.281 1.00 33.51 ? 671 ASN A OD1 1 ATOM 2522 N ND2 . ASN A 1 330 ? -1.819 8.795 24.756 1.00 33.45 ? 671 ASN A ND2 1 ATOM 2523 N N . LEU A 1 331 ? 0.644 3.941 25.286 1.00 32.90 ? 672 LEU A N 1 ATOM 2524 C CA . LEU A 1 331 ? 0.864 2.509 25.099 1.00 33.47 ? 672 LEU A CA 1 ATOM 2525 C C . LEU A 1 331 ? 1.342 1.857 26.394 1.00 34.32 ? 672 LEU A C 1 ATOM 2526 O O . LEU A 1 331 ? 0.893 0.766 26.744 1.00 34.22 ? 672 LEU A O 1 ATOM 2527 C CB . LEU A 1 331 ? 1.854 2.234 23.960 1.00 33.05 ? 672 LEU A CB 1 ATOM 2528 C CG . LEU A 1 331 ? 2.220 0.764 23.694 1.00 32.47 ? 672 LEU A CG 1 ATOM 2529 C CD1 . LEU A 1 331 ? 1.024 -0.049 23.199 1.00 31.88 ? 672 LEU A CD1 1 ATOM 2530 C CD2 . LEU A 1 331 ? 3.377 0.659 22.715 1.00 31.38 ? 672 LEU A CD2 1 ATOM 2531 N N . LYS A 1 332 ? 2.238 2.542 27.103 1.00 35.65 ? 673 LYS A N 1 ATOM 2532 C CA . LYS A 1 332 ? 2.816 2.023 28.346 1.00 37.05 ? 673 LYS A CA 1 ATOM 2533 C C . LYS A 1 332 ? 1.797 1.845 29.477 1.00 37.97 ? 673 LYS A C 1 ATOM 2534 O O . LYS A 1 332 ? 2.040 1.084 30.418 1.00 38.11 ? 673 LYS A O 1 ATOM 2535 C CB . LYS A 1 332 ? 4.000 2.882 28.798 1.00 37.02 ? 673 LYS A CB 1 ATOM 2536 C CG . LYS A 1 332 ? 5.301 2.529 28.093 1.00 37.34 ? 673 LYS A CG 1 ATOM 2537 C CD . LYS A 1 332 ? 6.485 3.285 28.674 1.00 37.89 ? 673 LYS A CD 1 ATOM 2538 C CE . LYS A 1 332 ? 7.797 2.552 28.411 1.00 38.14 ? 673 LYS A CE 1 ATOM 2539 N NZ . LYS A 1 332 ? 8.124 2.430 26.961 1.00 38.27 ? 673 LYS A NZ 1 ATOM 2540 N N . LYS A 1 333 ? 0.662 2.537 29.371 1.00 39.18 ? 674 LYS A N 1 ATOM 2541 C CA . LYS A 1 333 ? -0.464 2.358 30.295 1.00 40.35 ? 674 LYS A CA 1 ATOM 2542 C C . LYS A 1 333 ? -0.989 0.919 30.289 1.00 40.97 ? 674 LYS A C 1 ATOM 2543 O O . LYS A 1 333 ? -1.556 0.457 31.281 1.00 41.12 ? 674 LYS A O 1 ATOM 2544 C CB . LYS A 1 333 ? -1.605 3.327 29.964 1.00 40.41 ? 674 LYS A CB 1 ATOM 2545 C CG . LYS A 1 333 ? -1.269 4.801 30.158 1.00 40.95 ? 674 LYS A CG 1 ATOM 2546 C CD . LYS A 1 333 ? -2.441 5.690 29.755 1.00 41.66 ? 674 LYS A CD 1 ATOM 2547 C CE . LYS A 1 333 ? -2.033 7.160 29.741 1.00 42.08 ? 674 LYS A CE 1 ATOM 2548 N NZ . LYS A 1 333 ? -3.148 8.037 29.285 1.00 42.48 ? 674 LYS A NZ 1 ATOM 2549 N N . CYS A 1 334 ? -0.793 0.220 29.172 1.00 41.66 ? 675 CYS A N 1 ATOM 2550 C CA . CYS A 1 334 ? -1.211 -1.176 29.038 1.00 42.25 ? 675 CYS A CA 1 ATOM 2551 C C . CYS A 1 334 ? -0.345 -2.154 29.835 1.00 42.87 ? 675 CYS A C 1 ATOM 2552 O O . CYS A 1 334 ? -0.793 -3.255 30.164 1.00 43.00 ? 675 CYS A O 1 ATOM 2553 C CB . CYS A 1 334 ? -1.243 -1.583 27.565 1.00 42.08 ? 675 CYS A CB 1 ATOM 2554 S SG . CYS A 1 334 ? -2.509 -0.729 26.614 1.00 41.16 ? 675 CYS A SG 1 ATOM 2555 N N . SER A 1 335 ? 0.885 -1.750 30.142 1.00 43.48 ? 676 SER A N 1 ATOM 2556 C CA . SER A 1 335 ? 1.825 -2.610 30.857 1.00 43.96 ? 676 SER A CA 1 ATOM 2557 C C . SER A 1 335 ? 2.368 -1.930 32.110 1.00 44.14 ? 676 SER A C 1 ATOM 2558 O O . SER A 1 335 ? 1.862 -2.146 33.211 1.00 44.34 ? 676 SER A O 1 ATOM 2559 C CB . SER A 1 335 ? 2.979 -3.019 29.938 1.00 44.04 ? 676 SER A CB 1 ATOM 2560 O OG . SER A 1 335 ? 2.502 -3.697 28.788 1.00 44.21 ? 676 SER A OG 1 ATOM 2561 N N . LEU A 1 340 ? 4.401 7.219 34.706 1.00 65.62 ? 681 LEU A N 1 ATOM 2562 C CA . LEU A 1 340 ? 4.113 8.436 33.957 1.00 65.50 ? 681 LEU A CA 1 ATOM 2563 C C . LEU A 1 340 ? 5.304 9.388 33.970 1.00 65.05 ? 681 LEU A C 1 ATOM 2564 O O . LEU A 1 340 ? 5.476 10.195 33.057 1.00 65.13 ? 681 LEU A O 1 ATOM 2565 C CB . LEU A 1 340 ? 2.875 9.134 34.525 1.00 65.72 ? 681 LEU A CB 1 ATOM 2566 C CG . LEU A 1 340 ? 1.574 8.330 34.504 1.00 65.99 ? 681 LEU A CG 1 ATOM 2567 C CD1 . LEU A 1 340 ? 1.719 7.051 35.314 1.00 66.15 ? 681 LEU A CD1 1 ATOM 2568 C CD2 . LEU A 1 340 ? 0.416 9.169 35.022 1.00 66.18 ? 681 LEU A CD2 1 ATOM 2569 N N . GLU A 1 341 ? 6.123 9.288 35.012 1.00 64.15 ? 682 GLU A N 1 ATOM 2570 C CA . GLU A 1 341 ? 7.299 10.140 35.146 1.00 63.04 ? 682 GLU A CA 1 ATOM 2571 C C . GLU A 1 341 ? 8.227 9.517 36.184 1.00 61.76 ? 682 GLU A C 1 ATOM 2572 O O . GLU A 1 341 ? 8.298 9.979 37.323 1.00 61.76 ? 682 GLU A O 1 ATOM 2573 C CB . GLU A 1 341 ? 6.892 11.556 35.557 1.00 63.33 ? 682 GLU A CB 1 ATOM 2574 C CG . GLU A 1 341 ? 6.156 11.629 36.885 1.00 63.90 ? 682 GLU A CG 1 ATOM 2575 C CD . GLU A 1 341 ? 5.767 13.046 37.259 1.00 64.60 ? 682 GLU A CD 1 ATOM 2576 O OE1 . GLU A 1 341 ? 6.058 13.971 36.472 1.00 64.80 ? 682 GLU A OE1 1 ATOM 2577 O OE2 . GLU A 1 341 ? 5.169 13.235 38.339 1.00 64.85 ? 682 GLU A OE2 1 ATOM 2578 N N . ALA A 1 342 ? 8.937 8.468 35.782 1.00 59.81 ? 683 ALA A N 1 ATOM 2579 C CA . ALA A 1 342 ? 9.911 7.815 36.658 1.00 57.69 ? 683 ALA A CA 1 ATOM 2580 C C . ALA A 1 342 ? 10.769 6.834 35.877 1.00 55.97 ? 683 ALA A C 1 ATOM 2581 O O . ALA A 1 342 ? 10.270 6.126 34.998 1.00 55.86 ? 683 ALA A O 1 ATOM 2582 C CB . ALA A 1 342 ? 9.208 7.099 37.813 1.00 57.89 ? 683 ALA A CB 1 ATOM 2583 N N . CYS A 1 343 ? 12.060 6.801 36.201 1.00 53.61 ? 684 CYS A N 1 ATOM 2584 C CA . CYS A 1 343 ? 12.991 5.855 35.591 1.00 51.02 ? 684 CYS A CA 1 ATOM 2585 C C . CYS A 1 343 ? 12.596 4.418 35.925 1.00 51.15 ? 684 CYS A C 1 ATOM 2586 O O . CYS A 1 343 ? 12.266 4.108 37.072 1.00 51.05 ? 684 CYS A O 1 ATOM 2587 C CB . CYS A 1 343 ? 14.421 6.128 36.064 1.00 49.88 ? 684 CYS A CB 1 ATOM 2588 S SG . CYS A 1 343 ? 15.661 4.949 35.469 1.00 43.19 ? 684 CYS A SG 1 ATOM 2589 N N . ALA A 1 344 ? 12.632 3.551 34.914 1.00 50.87 ? 685 ALA A N 1 ATOM 2590 C CA . ALA A 1 344 ? 12.228 2.150 35.064 1.00 50.69 ? 685 ALA A CA 1 ATOM 2591 C C . ALA A 1 344 ? 13.201 1.325 35.913 1.00 50.53 ? 685 ALA A C 1 ATOM 2592 O O . ALA A 1 344 ? 12.885 0.199 36.308 1.00 50.54 ? 685 ALA A O 1 ATOM 2593 C CB . ALA A 1 344 ? 12.034 1.504 33.694 1.00 50.69 ? 685 ALA A CB 1 ATOM 2594 N N . PHE A 1 345 ? 14.373 1.891 36.196 1.00 50.34 ? 686 PHE A N 1 ATOM 2595 C CA . PHE A 1 345 ? 15.421 1.187 36.934 1.00 50.13 ? 686 PHE A CA 1 ATOM 2596 C C . PHE A 1 345 ? 15.715 1.836 38.282 1.00 50.16 ? 686 PHE A C 1 ATOM 2597 O O . PHE A 1 345 ? 15.006 2.747 38.714 1.00 50.22 ? 686 PHE A O 1 ATOM 2598 C CB . PHE A 1 345 ? 16.703 1.112 36.099 1.00 50.02 ? 686 PHE A CB 1 ATOM 2599 C CG . PHE A 1 345 ? 16.476 0.682 34.676 1.00 49.54 ? 686 PHE A CG 1 ATOM 2600 C CD1 . PHE A 1 345 ? 16.132 -0.634 34.378 1.00 49.14 ? 686 PHE A CD1 1 ATOM 2601 C CD2 . PHE A 1 345 ? 16.606 1.593 33.632 1.00 49.17 ? 686 PHE A CD2 1 ATOM 2602 C CE1 . PHE A 1 345 ? 15.919 -1.036 33.063 1.00 48.92 ? 686 PHE A CE1 1 ATOM 2603 C CE2 . PHE A 1 345 ? 16.397 1.201 32.312 1.00 48.90 ? 686 PHE A CE2 1 ATOM 2604 C CZ . PHE A 1 345 ? 16.053 -0.116 32.027 1.00 48.88 ? 686 PHE A CZ 1 HETATM 2605 C C1 . NBO B 2 . ? 7.533 18.345 19.711 0.50 33.47 ? 700 NBO A C1 1 HETATM 2606 O O1 . NBO B 2 . ? 9.915 18.743 19.697 0.50 33.77 ? 700 NBO A O1 1 HETATM 2607 C C2 . NBO B 2 . ? 8.906 18.463 19.118 0.50 39.54 ? 700 NBO A C2 1 HETATM 2608 C C3 . NBO B 2 . ? 9.102 18.224 17.645 0.50 39.23 ? 700 NBO A C3 1 HETATM 2609 C C4 . NBO B 2 . ? 10.629 18.121 17.608 0.50 41.40 ? 700 NBO A C4 1 HETATM 2610 C "C10'" . NBO B 2 . ? 10.276 15.984 16.355 0.50 41.39 ? 700 NBO A "C10'" 1 HETATM 2611 C "C1'" . NBO B 2 . ? 11.127 16.905 16.892 0.50 41.73 ? 700 NBO A "C1'" 1 HETATM 2612 C "C11'" . NBO B 2 . ? 14.848 12.700 12.868 0.50 39.07 ? 700 NBO A "C11'" 1 HETATM 2613 C "C2'" . NBO B 2 . ? 12.471 16.772 16.782 0.50 32.90 ? 700 NBO A "C2'" 1 HETATM 2614 O "O2'" . NBO B 2 . ? 14.618 12.519 14.210 0.50 40.31 ? 700 NBO A "O2'" 1 HETATM 2615 C "C3'" . NBO B 2 . ? 13.006 15.693 16.126 0.50 35.98 ? 700 NBO A "C3'" 1 HETATM 2616 C "C4'" . NBO B 2 . ? 14.373 15.576 16.042 0.50 39.85 ? 700 NBO A "C4'" 1 HETATM 2617 C "C5'" . NBO B 2 . ? 14.895 14.521 15.381 0.50 39.51 ? 700 NBO A "C5'" 1 HETATM 2618 C "C6'" . NBO B 2 . ? 14.085 13.570 14.865 0.50 42.02 ? 700 NBO A "C6'" 1 HETATM 2619 C "C7'" . NBO B 2 . ? 12.723 13.699 14.936 0.50 40.24 ? 700 NBO A "C7'" 1 HETATM 2620 C "C8'" . NBO B 2 . ? 12.165 14.765 15.583 0.50 40.19 ? 700 NBO A "C8'" 1 HETATM 2621 C "C9'" . NBO B 2 . ? 10.795 14.890 15.700 0.50 42.44 ? 700 NBO A "C9'" 1 HETATM 2622 C C1 . NAG C 3 . ? 43.053 9.706 20.126 1.00 42.46 ? 1 NAG A C1 1 HETATM 2623 C C2 . NAG C 3 . ? 43.618 9.888 18.722 1.00 45.14 ? 1 NAG A C2 1 HETATM 2624 C C3 . NAG C 3 . ? 44.969 10.554 18.917 1.00 45.64 ? 1 NAG A C3 1 HETATM 2625 C C4 . NAG C 3 . ? 44.660 11.983 19.351 1.00 45.84 ? 1 NAG A C4 1 HETATM 2626 C C5 . NAG C 3 . ? 43.771 12.017 20.602 1.00 45.38 ? 1 NAG A C5 1 HETATM 2627 C C6 . NAG C 3 . ? 43.047 13.358 20.659 1.00 45.80 ? 1 NAG A C6 1 HETATM 2628 C C7 . NAG C 3 . ? 42.715 8.065 17.277 1.00 46.24 ? 1 NAG A C7 1 HETATM 2629 C C8 . NAG C 3 . ? 43.133 6.891 16.439 1.00 46.26 ? 1 NAG A C8 1 HETATM 2630 N N2 . NAG C 3 . ? 43.727 8.702 17.879 1.00 45.69 ? 1 NAG A N2 1 HETATM 2631 O O3 . NAG C 3 . ? 45.729 10.544 17.730 1.00 46.15 ? 1 NAG A O3 1 HETATM 2632 O O4 . NAG C 3 . ? 45.860 12.686 19.599 1.00 46.26 ? 1 NAG A O4 1 HETATM 2633 O O5 . NAG C 3 . ? 42.781 10.990 20.670 1.00 43.99 ? 1 NAG A O5 1 HETATM 2634 O O6 . NAG C 3 . ? 42.401 13.493 21.907 1.00 46.20 ? 1 NAG A O6 1 HETATM 2635 O O7 . NAG C 3 . ? 41.519 8.372 17.379 1.00 46.17 ? 1 NAG A O7 1 HETATM 2636 C C1 . NAG D 3 . ? -3.508 6.446 20.621 1.00 40.39 ? 2 NAG A C1 1 HETATM 2637 C C2 . NAG D 3 . ? -2.481 7.346 19.949 1.00 42.11 ? 2 NAG A C2 1 HETATM 2638 C C3 . NAG D 3 . ? -2.059 8.496 20.861 1.00 42.95 ? 2 NAG A C3 1 HETATM 2639 C C4 . NAG D 3 . ? -3.263 9.153 21.543 1.00 43.96 ? 2 NAG A C4 1 HETATM 2640 C C5 . NAG D 3 . ? -4.113 8.082 22.234 1.00 43.22 ? 2 NAG A C5 1 HETATM 2641 C C6 . NAG D 3 . ? -5.345 8.630 22.951 1.00 43.46 ? 2 NAG A C6 1 HETATM 2642 C C7 . NAG D 3 . ? -0.902 6.422 18.331 1.00 41.74 ? 2 NAG A C7 1 HETATM 2643 C C8 . NAG D 3 . ? 0.294 5.540 18.126 1.00 41.70 ? 2 NAG A C8 1 HETATM 2644 N N2 . NAG D 3 . ? -1.334 6.535 19.585 1.00 41.76 ? 2 NAG A N2 1 HETATM 2645 O O3 . NAG D 3 . ? -1.362 9.453 20.096 1.00 42.93 ? 2 NAG A O3 1 HETATM 2646 O O4 . NAG D 3 . ? -2.823 10.135 22.459 1.00 46.12 ? 2 NAG A O4 1 HETATM 2647 O O5 . NAG D 3 . ? -4.545 7.179 21.243 1.00 41.83 ? 2 NAG A O5 1 HETATM 2648 O O6 . NAG D 3 . ? -6.167 9.332 22.040 1.00 43.65 ? 2 NAG A O6 1 HETATM 2649 O O7 . NAG D 3 . ? -1.421 6.995 17.372 1.00 41.78 ? 2 NAG A O7 1 HETATM 2650 C C1 . NAG E 3 . ? -3.281 11.443 22.048 1.00 47.97 ? 3 NAG A C1 1 HETATM 2651 C C2 . NAG E 3 . ? -3.377 12.347 23.280 1.00 48.83 ? 3 NAG A C2 1 HETATM 2652 C C3 . NAG E 3 . ? -3.646 13.810 22.916 1.00 49.28 ? 3 NAG A C3 1 HETATM 2653 C C4 . NAG E 3 . ? -2.773 14.278 21.753 1.00 49.40 ? 3 NAG A C4 1 HETATM 2654 C C5 . NAG E 3 . ? -2.925 13.291 20.594 1.00 49.20 ? 3 NAG A C5 1 HETATM 2655 C C6 . NAG E 3 . ? -2.163 13.711 19.339 1.00 49.30 ? 3 NAG A C6 1 HETATM 2656 C C7 . NAG E 3 . ? -4.238 11.242 25.304 1.00 49.52 ? 3 NAG A C7 1 HETATM 2657 C C8 . NAG E 3 . ? -5.474 10.810 26.038 1.00 49.61 ? 3 NAG A C8 1 HETATM 2658 N N2 . NAG E 3 . ? -4.441 11.857 24.138 1.00 49.25 ? 3 NAG A N2 1 HETATM 2659 O O3 . NAG E 3 . ? -3.413 14.635 24.038 1.00 49.60 ? 3 NAG A O3 1 HETATM 2660 O O4 . NAG E 3 . ? -3.155 15.583 21.368 1.00 49.66 ? 3 NAG A O4 1 HETATM 2661 O O5 . NAG E 3 . ? -2.478 12.017 21.027 1.00 48.66 ? 3 NAG A O5 1 HETATM 2662 O O6 . NAG E 3 . ? -0.773 13.661 19.567 1.00 49.39 ? 3 NAG A O6 1 HETATM 2663 O O7 . NAG E 3 . ? -3.127 11.026 25.790 1.00 49.68 ? 3 NAG A O7 1 HETATM 2664 C C1 . NAG F 3 . ? 13.107 4.280 1.190 1.00 30.31 ? 5 NAG A C1 1 HETATM 2665 C C2 . NAG F 3 . ? 13.195 5.659 0.540 1.00 33.07 ? 5 NAG A C2 1 HETATM 2666 C C3 . NAG F 3 . ? 14.109 5.655 -0.689 1.00 34.48 ? 5 NAG A C3 1 HETATM 2667 C C4 . NAG F 3 . ? 15.457 4.985 -0.401 1.00 35.55 ? 5 NAG A C4 1 HETATM 2668 C C5 . NAG F 3 . ? 15.268 3.650 0.325 1.00 34.00 ? 5 NAG A C5 1 HETATM 2669 C C6 . NAG F 3 . ? 16.589 3.074 0.831 1.00 33.87 ? 5 NAG A C6 1 HETATM 2670 C C7 . NAG F 3 . ? 11.289 7.132 0.875 1.00 33.54 ? 5 NAG A C7 1 HETATM 2671 C C8 . NAG F 3 . ? 9.912 7.524 0.428 1.00 33.50 ? 5 NAG A C8 1 HETATM 2672 N N2 . NAG F 3 . ? 11.865 6.133 0.205 1.00 33.35 ? 5 NAG A N2 1 HETATM 2673 O O3 . NAG F 3 . ? 14.327 6.985 -1.101 1.00 34.70 ? 5 NAG A O3 1 HETATM 2674 O O4 . NAG F 3 . ? 16.160 4.758 -1.607 1.00 38.77 ? 5 NAG A O4 1 HETATM 2675 O O5 . NAG F 3 . ? 14.415 3.803 1.438 1.00 31.88 ? 5 NAG A O5 1 HETATM 2676 O O6 . NAG F 3 . ? 17.202 3.961 1.743 1.00 34.07 ? 5 NAG A O6 1 HETATM 2677 O O7 . NAG F 3 . ? 11.827 7.727 1.810 1.00 33.95 ? 5 NAG A O7 1 HETATM 2678 C C1 . NAG G 3 . ? 17.434 5.438 -1.605 1.00 41.85 ? 6 NAG A C1 1 HETATM 2679 C C2 . NAG G 3 . ? 18.308 4.787 -2.683 1.00 43.16 ? 6 NAG A C2 1 HETATM 2680 C C3 . NAG G 3 . ? 19.497 5.648 -3.101 1.00 43.90 ? 6 NAG A C3 1 HETATM 2681 C C4 . NAG G 3 . ? 19.036 7.074 -3.372 1.00 44.19 ? 6 NAG A C4 1 HETATM 2682 C C5 . NAG G 3 . ? 18.383 7.618 -2.104 1.00 44.02 ? 6 NAG A C5 1 HETATM 2683 C C6 . NAG G 3 . ? 17.938 9.067 -2.278 1.00 44.31 ? 6 NAG A C6 1 HETATM 2684 C C7 . NAG G 3 . ? 18.389 2.352 -2.863 1.00 44.17 ? 6 NAG A C7 1 HETATM 2685 C C8 . NAG G 3 . ? 18.961 1.075 -2.321 1.00 44.32 ? 6 NAG A C8 1 HETATM 2686 N N2 . NAG G 3 . ? 18.778 3.477 -2.260 1.00 43.77 ? 6 NAG A N2 1 HETATM 2687 O O3 . NAG G 3 . ? 20.092 5.110 -4.259 1.00 44.10 ? 6 NAG A O3 1 HETATM 2688 O O4 . NAG G 3 . ? 20.132 7.873 -3.760 1.00 44.68 ? 6 NAG A O4 1 HETATM 2689 O O5 . NAG G 3 . ? 17.245 6.834 -1.788 1.00 43.00 ? 6 NAG A O5 1 HETATM 2690 O O6 . NAG G 3 . ? 17.232 9.485 -1.131 1.00 44.80 ? 6 NAG A O6 1 HETATM 2691 O O7 . NAG G 3 . ? 17.603 2.320 -3.812 1.00 44.27 ? 6 NAG A O7 1 HETATM 2692 ZN ZN . ZN H 4 . ? 14.653 22.932 24.171 1.00 19.49 ? 302 ZN A ZN 1 HETATM 2693 ZN ZN . ZN I 4 . ? 3.175 10.679 7.303 1.00 24.44 ? 303 ZN A ZN 1 HETATM 2694 FE FE . FE J 5 . ? 14.153 2.350 14.989 1.00 13.39 ? 690 FE A FE 1 HETATM 2695 C C . CO3 K 6 . ? 12.731 0.295 15.230 1.00 14.42 ? 691 CO3 A C 1 HETATM 2696 O O1 . CO3 K 6 . ? 14.001 0.207 15.503 1.00 14.07 ? 691 CO3 A O1 1 HETATM 2697 O O2 . CO3 K 6 . ? 12.257 1.433 14.822 1.00 14.98 ? 691 CO3 A O2 1 HETATM 2698 O O3 . CO3 K 6 . ? 11.937 -0.721 15.356 1.00 14.73 ? 691 CO3 A O3 1 HETATM 2699 S S . SO4 L 7 . ? -1.553 -6.091 -4.618 1.00 42.88 ? 301 SO4 A S 1 HETATM 2700 O O1 . SO4 L 7 . ? -1.321 -5.125 -3.550 1.00 43.02 ? 301 SO4 A O1 1 HETATM 2701 O O2 . SO4 L 7 . ? -2.889 -5.890 -5.173 1.00 43.23 ? 301 SO4 A O2 1 HETATM 2702 O O3 . SO4 L 7 . ? -0.553 -5.904 -5.664 1.00 43.02 ? 301 SO4 A O3 1 HETATM 2703 O O4 . SO4 L 7 . ? -1.450 -7.447 -4.084 1.00 43.05 ? 301 SO4 A O4 1 HETATM 2704 O O . HOH M 8 . ? 22.521 0.157 20.660 1.00 13.08 ? 4 HOH A O 1 HETATM 2705 O O . HOH M 8 . ? 4.001 10.637 11.836 1.00 33.20 ? 7 HOH A O 1 HETATM 2706 O O . HOH M 8 . ? 25.181 -0.470 21.087 1.00 15.13 ? 8 HOH A O 1 HETATM 2707 O O . HOH M 8 . ? 6.070 0.011 11.599 1.00 15.55 ? 9 HOH A O 1 HETATM 2708 O O . HOH M 8 . ? 13.126 5.793 16.495 1.00 13.26 ? 11 HOH A O 1 HETATM 2709 O O . HOH M 8 . ? 20.166 -1.121 20.736 1.00 14.49 ? 12 HOH A O 1 HETATM 2710 O O . HOH M 8 . ? 13.678 -4.688 23.516 1.00 18.69 ? 13 HOH A O 1 HETATM 2711 O O . HOH M 8 . ? 16.997 13.130 30.101 1.00 21.36 ? 14 HOH A O 1 HETATM 2712 O O . HOH M 8 . ? 22.111 -4.333 17.594 1.00 18.68 ? 15 HOH A O 1 HETATM 2713 O O . HOH M 8 . ? 12.580 5.854 5.774 1.00 27.13 ? 16 HOH A O 1 HETATM 2714 O O . HOH M 8 . ? 25.552 -8.278 19.120 1.00 17.26 ? 17 HOH A O 1 HETATM 2715 O O . HOH M 8 . ? 22.560 -6.561 19.134 1.00 16.84 ? 18 HOH A O 1 HETATM 2716 O O . HOH M 8 . ? 25.619 1.834 19.654 1.00 14.52 ? 19 HOH A O 1 HETATM 2717 O O . HOH M 8 . ? 3.238 0.863 5.797 1.00 17.34 ? 20 HOH A O 1 HETATM 2718 O O . HOH M 8 . ? 5.040 -12.313 -2.634 1.00 21.41 ? 21 HOH A O 1 HETATM 2719 O O . HOH M 8 . ? 19.078 -0.757 14.047 1.00 19.32 ? 22 HOH A O 1 HETATM 2720 O O . HOH M 8 . ? -3.607 -1.848 4.606 1.00 21.60 ? 23 HOH A O 1 HETATM 2721 O O . HOH M 8 . ? 23.711 -7.687 30.452 1.00 19.70 ? 24 HOH A O 1 HETATM 2722 O O . HOH M 8 . ? 9.781 -13.827 -1.546 1.00 42.90 ? 25 HOH A O 1 HETATM 2723 O O . HOH M 8 . ? 17.372 -1.510 7.883 1.00 20.03 ? 26 HOH A O 1 HETATM 2724 O O . HOH M 8 . ? 18.643 0.664 19.266 1.00 17.91 ? 27 HOH A O 1 HETATM 2725 O O . HOH M 8 . ? 19.020 -4.918 11.795 1.00 18.65 ? 28 HOH A O 1 HETATM 2726 O O . HOH M 8 . ? 17.734 -4.693 23.156 1.00 18.19 ? 29 HOH A O 1 HETATM 2727 O O . HOH M 8 . ? 19.619 -0.536 16.923 1.00 23.51 ? 30 HOH A O 1 HETATM 2728 O O . HOH M 8 . ? -3.323 5.450 4.473 1.00 40.51 ? 31 HOH A O 1 HETATM 2729 O O . HOH M 8 . ? 17.902 6.163 12.385 1.00 18.16 ? 32 HOH A O 1 HETATM 2730 O O . HOH M 8 . ? 18.920 0.372 9.127 1.00 16.90 ? 33 HOH A O 1 HETATM 2731 O O . HOH M 8 . ? 1.113 -16.135 25.300 1.00 33.99 ? 34 HOH A O 1 HETATM 2732 O O . HOH M 8 . ? -0.725 4.700 5.916 1.00 24.53 ? 35 HOH A O 1 HETATM 2733 O O . HOH M 8 . ? 22.981 -0.641 18.043 1.00 19.59 ? 36 HOH A O 1 HETATM 2734 O O . HOH M 8 . ? 1.026 7.084 5.032 1.00 22.79 ? 37 HOH A O 1 HETATM 2735 O O . HOH M 8 . ? 10.732 -19.601 13.914 1.00 32.46 ? 38 HOH A O 1 HETATM 2736 O O . HOH M 8 . ? 27.838 -6.107 31.454 1.00 20.15 ? 39 HOH A O 1 HETATM 2737 O O . HOH M 8 . ? -4.881 -1.944 -2.223 1.00 30.94 ? 40 HOH A O 1 HETATM 2738 O O . HOH M 8 . ? 26.915 -0.162 11.083 1.00 24.36 ? 41 HOH A O 1 HETATM 2739 O O . HOH M 8 . ? 30.045 -4.656 32.335 1.00 27.14 ? 42 HOH A O 1 HETATM 2740 O O . HOH M 8 . ? 5.806 -10.878 26.943 1.00 28.26 ? 43 HOH A O 1 HETATM 2741 O O . HOH M 8 . ? -0.889 -15.231 -4.262 1.00 24.00 ? 44 HOH A O 1 HETATM 2742 O O . HOH M 8 . ? 16.502 3.527 12.183 1.00 15.71 ? 45 HOH A O 1 HETATM 2743 O O . HOH M 8 . ? 4.909 -14.101 4.701 1.00 23.70 ? 46 HOH A O 1 HETATM 2744 O O . HOH M 8 . ? 16.405 -4.065 26.112 1.00 22.84 ? 47 HOH A O 1 HETATM 2745 O O . HOH M 8 . ? 23.623 -3.780 33.094 1.00 23.34 ? 48 HOH A O 1 HETATM 2746 O O . HOH M 8 . ? 18.179 14.692 31.966 1.00 27.45 ? 49 HOH A O 1 HETATM 2747 O O . HOH M 8 . ? 28.899 22.425 18.996 1.00 44.59 ? 51 HOH A O 1 HETATM 2748 O O . HOH M 8 . ? 18.497 -3.348 14.262 1.00 19.74 ? 52 HOH A O 1 HETATM 2749 O O . HOH M 8 . ? 19.825 -2.724 18.599 1.00 26.11 ? 53 HOH A O 1 HETATM 2750 O O . HOH M 8 . ? 3.153 -11.938 3.989 1.00 17.95 ? 54 HOH A O 1 HETATM 2751 O O . HOH M 8 . ? 31.598 -5.022 29.949 1.00 31.00 ? 55 HOH A O 1 HETATM 2752 O O . HOH M 8 . ? 21.309 -4.527 14.999 1.00 27.93 ? 56 HOH A O 1 HETATM 2753 O O . HOH M 8 . ? -0.103 -10.061 19.616 1.00 22.59 ? 57 HOH A O 1 HETATM 2754 O O . HOH M 8 . ? 13.373 0.061 26.883 1.00 23.72 ? 58 HOH A O 1 HETATM 2755 O O . HOH M 8 . ? 20.405 6.047 9.533 1.00 23.75 ? 59 HOH A O 1 HETATM 2756 O O . HOH M 8 . ? 24.946 -5.846 32.031 1.00 27.45 ? 60 HOH A O 1 HETATM 2757 O O . HOH M 8 . ? 12.998 -7.354 27.613 1.00 39.81 ? 61 HOH A O 1 HETATM 2758 O O . HOH M 8 . ? 20.943 0.296 7.279 1.00 25.66 ? 62 HOH A O 1 HETATM 2759 O O . HOH M 8 . ? 3.397 -17.811 7.041 1.00 55.24 ? 63 HOH A O 1 HETATM 2760 O O . HOH M 8 . ? 28.995 2.013 39.450 1.00 29.24 ? 64 HOH A O 1 HETATM 2761 O O . HOH M 8 . ? 1.490 -12.694 19.337 1.00 22.67 ? 65 HOH A O 1 HETATM 2762 O O . HOH M 8 . ? 24.531 17.896 19.162 1.00 23.95 ? 66 HOH A O 1 HETATM 2763 O O . HOH M 8 . ? 30.765 -8.244 14.626 1.00 30.78 ? 67 HOH A O 1 HETATM 2764 O O . HOH M 8 . ? 28.198 7.407 32.100 1.00 26.99 ? 68 HOH A O 1 HETATM 2765 O O . HOH M 8 . ? -1.089 -16.776 9.372 1.00 30.12 ? 69 HOH A O 1 HETATM 2766 O O . HOH M 8 . ? 21.081 2.299 14.996 1.00 19.40 ? 70 HOH A O 1 HETATM 2767 O O . HOH M 8 . ? 9.771 2.482 24.358 1.00 24.45 ? 71 HOH A O 1 HETATM 2768 O O . HOH M 8 . ? 29.614 12.734 36.952 1.00 30.36 ? 72 HOH A O 1 HETATM 2769 O O . HOH M 8 . ? 25.821 17.689 23.508 1.00 50.27 ? 73 HOH A O 1 HETATM 2770 O O . HOH M 8 . ? 13.226 -0.910 -7.493 1.00 42.50 ? 75 HOH A O 1 HETATM 2771 O O . HOH M 8 . ? 7.139 7.036 -1.712 1.00 26.91 ? 76 HOH A O 1 HETATM 2772 O O . HOH M 8 . ? 7.335 -18.923 22.717 1.00 26.63 ? 77 HOH A O 1 HETATM 2773 O O . HOH M 8 . ? 4.585 -1.729 25.279 1.00 30.66 ? 78 HOH A O 1 HETATM 2774 O O . HOH M 8 . ? 27.583 8.989 29.969 1.00 18.23 ? 80 HOH A O 1 HETATM 2775 O O . HOH M 8 . ? 17.062 -6.466 29.818 1.00 25.77 ? 81 HOH A O 1 HETATM 2776 O O . HOH M 8 . ? 32.680 4.483 32.141 1.00 24.28 ? 82 HOH A O 1 HETATM 2777 O O . HOH M 8 . ? 22.431 0.022 15.418 1.00 19.77 ? 83 HOH A O 1 HETATM 2778 O O . HOH M 8 . ? -1.953 2.950 22.316 1.00 29.56 ? 84 HOH A O 1 HETATM 2779 O O . HOH M 8 . ? 26.739 -20.116 22.440 1.00 41.24 ? 85 HOH A O 1 HETATM 2780 O O . HOH M 8 . ? 21.479 -16.043 5.177 1.00 34.85 ? 86 HOH A O 1 HETATM 2781 O O . HOH M 8 . ? 16.339 -18.138 3.968 1.00 38.45 ? 87 HOH A O 1 HETATM 2782 O O . HOH M 8 . ? -3.759 -14.171 1.937 1.00 30.06 ? 88 HOH A O 1 HETATM 2783 O O . HOH M 8 . ? -7.644 -6.984 11.951 1.00 35.92 ? 89 HOH A O 1 HETATM 2784 O O . HOH M 8 . ? 16.826 4.874 7.955 1.00 21.22 ? 90 HOH A O 1 HETATM 2785 O O . HOH M 8 . ? -0.231 4.974 21.663 1.00 30.19 ? 91 HOH A O 1 HETATM 2786 O O . HOH M 8 . ? 31.618 4.097 8.162 1.00 22.61 ? 92 HOH A O 1 HETATM 2787 O O . HOH M 8 . ? 22.680 -15.003 7.358 1.00 50.10 ? 94 HOH A O 1 HETATM 2788 O O . HOH M 8 . ? 31.976 24.173 18.686 1.00 51.39 ? 95 HOH A O 1 HETATM 2789 O O . HOH M 8 . ? 7.030 13.129 17.467 1.00 31.35 ? 96 HOH A O 1 HETATM 2790 O O . HOH M 8 . ? 37.392 -2.406 25.225 1.00 34.74 ? 97 HOH A O 1 HETATM 2791 O O . HOH M 8 . ? 30.671 -3.015 34.414 1.00 27.16 ? 98 HOH A O 1 HETATM 2792 O O . HOH M 8 . ? 12.353 -16.382 0.633 1.00 44.70 ? 99 HOH A O 1 HETATM 2793 O O . HOH M 8 . ? 5.456 -19.512 10.783 1.00 25.19 ? 100 HOH A O 1 HETATM 2794 O O . HOH M 8 . ? 17.704 6.904 9.603 1.00 29.57 ? 101 HOH A O 1 HETATM 2795 O O . HOH M 8 . ? 14.679 -16.174 2.322 1.00 36.23 ? 102 HOH A O 1 HETATM 2796 O O . HOH M 8 . ? 30.634 10.051 8.398 1.00 30.58 ? 104 HOH A O 1 HETATM 2797 O O . HOH M 8 . ? 10.750 -10.808 28.915 1.00 36.83 ? 105 HOH A O 1 HETATM 2798 O O . HOH M 8 . ? 36.624 -1.774 6.405 1.00 55.22 ? 106 HOH A O 1 HETATM 2799 O O . HOH M 8 . ? 23.094 -4.383 35.630 1.00 38.83 ? 107 HOH A O 1 HETATM 2800 O O . HOH M 8 . ? 6.758 -3.337 -4.298 1.00 26.71 ? 108 HOH A O 1 HETATM 2801 O O . HOH M 8 . ? 19.058 -18.939 4.758 1.00 49.70 ? 109 HOH A O 1 HETATM 2802 O O . HOH M 8 . ? 11.192 12.810 31.847 1.00 41.28 ? 110 HOH A O 1 HETATM 2803 O O . HOH M 8 . ? 19.135 -8.421 -1.980 1.00 30.22 ? 111 HOH A O 1 HETATM 2804 O O . HOH M 8 . ? 6.472 0.549 24.691 1.00 24.89 ? 112 HOH A O 1 HETATM 2805 O O . HOH M 8 . ? 10.648 -20.789 16.351 1.00 49.38 ? 113 HOH A O 1 HETATM 2806 O O . HOH M 8 . ? 21.760 -6.978 35.734 1.00 38.18 ? 114 HOH A O 1 HETATM 2807 O O . HOH M 8 . ? 11.124 -12.343 -3.375 1.00 35.87 ? 115 HOH A O 1 HETATM 2808 O O . HOH M 8 . ? 21.549 -10.453 7.064 1.00 46.53 ? 116 HOH A O 1 HETATM 2809 O O . HOH M 8 . ? 8.144 -21.120 13.524 1.00 47.14 ? 118 HOH A O 1 HETATM 2810 O O . HOH M 8 . ? -1.477 -16.185 6.006 1.00 60.17 ? 119 HOH A O 1 HETATM 2811 O O . HOH M 8 . ? -6.332 2.475 10.323 1.00 36.36 ? 120 HOH A O 1 HETATM 2812 O O . HOH M 8 . ? 13.972 -5.207 26.134 1.00 36.70 ? 121 HOH A O 1 HETATM 2813 O O . HOH M 8 . ? 22.645 0.367 4.015 1.00 44.52 ? 122 HOH A O 1 HETATM 2814 O O . HOH M 8 . ? 30.547 4.068 5.721 1.00 34.78 ? 123 HOH A O 1 HETATM 2815 O O . HOH M 8 . ? 2.570 -15.980 5.265 1.00 32.54 ? 124 HOH A O 1 HETATM 2816 O O . HOH M 8 . ? 9.304 -17.922 30.735 1.00 32.56 ? 125 HOH A O 1 HETATM 2817 O O . HOH M 8 . ? 10.988 -2.438 -7.599 1.00 48.34 ? 126 HOH A O 1 HETATM 2818 O O . HOH M 8 . ? -8.899 -8.113 2.076 1.00 50.43 ? 127 HOH A O 1 HETATM 2819 O O . HOH M 8 . ? 8.959 -11.567 -8.812 1.00 51.10 ? 128 HOH A O 1 HETATM 2820 O O . HOH M 8 . ? -7.434 7.772 20.179 1.00 65.43 ? 129 HOH A O 1 HETATM 2821 O O . HOH M 8 . ? 22.899 -12.965 24.346 1.00 42.31 ? 130 HOH A O 1 HETATM 2822 O O . HOH M 8 . ? 29.400 -10.916 24.768 1.00 44.28 ? 131 HOH A O 1 HETATM 2823 O O . HOH M 8 . ? 8.249 -2.455 -6.538 1.00 45.56 ? 133 HOH A O 1 HETATM 2824 O O . HOH M 8 . ? 8.092 -9.606 -10.478 1.00 48.78 ? 134 HOH A O 1 HETATM 2825 O O . HOH M 8 . ? 16.613 -20.960 22.459 1.00 23.59 ? 135 HOH A O 1 HETATM 2826 O O . HOH M 8 . ? 10.152 23.000 23.439 1.00 47.63 ? 136 HOH A O 1 HETATM 2827 O O . HOH M 8 . ? 28.523 17.451 29.214 1.00 31.00 ? 137 HOH A O 1 HETATM 2828 O O . HOH M 8 . ? 4.930 -12.411 -5.330 1.00 37.00 ? 138 HOH A O 1 HETATM 2829 O O . HOH M 8 . ? -8.156 -11.186 10.578 1.00 45.65 ? 139 HOH A O 1 HETATM 2830 O O . HOH M 8 . ? 32.568 14.908 12.378 1.00 30.42 ? 140 HOH A O 1 HETATM 2831 O O . HOH M 8 . ? -5.831 -7.862 21.258 1.00 50.26 ? 141 HOH A O 1 HETATM 2832 O O . HOH M 8 . ? 23.113 -15.712 15.953 1.00 47.76 ? 142 HOH A O 1 HETATM 2833 O O . HOH M 8 . ? -8.762 -7.103 4.596 1.00 44.87 ? 143 HOH A O 1 HETATM 2834 O O . HOH M 8 . ? 12.674 4.363 32.034 1.00 37.17 ? 144 HOH A O 1 HETATM 2835 O O . HOH M 8 . ? 19.396 -2.986 6.600 1.00 41.75 ? 145 HOH A O 1 HETATM 2836 O O . HOH M 8 . ? 18.165 11.692 8.302 1.00 43.33 ? 146 HOH A O 1 HETATM 2837 O O . HOH M 8 . ? 32.248 -5.880 12.546 1.00 42.49 ? 147 HOH A O 1 HETATM 2838 O O . HOH M 8 . ? 18.587 -7.084 33.380 1.00 39.17 ? 148 HOH A O 1 HETATM 2839 O O . HOH M 8 . ? 40.385 4.444 3.457 1.00 43.58 ? 149 HOH A O 1 HETATM 2840 O O . HOH M 8 . ? 31.019 18.937 22.859 1.00 42.28 ? 150 HOH A O 1 HETATM 2841 O O . HOH M 8 . ? 9.016 -17.365 0.155 1.00 51.77 ? 151 HOH A O 1 HETATM 2842 O O . HOH M 8 . ? 12.630 -14.453 -4.482 1.00 44.63 ? 152 HOH A O 1 HETATM 2843 O O . HOH M 8 . ? 9.524 3.978 -0.859 1.00 36.99 ? 153 HOH A O 1 HETATM 2844 O O . HOH M 8 . ? 2.568 -19.959 24.241 1.00 50.71 ? 155 HOH A O 1 HETATM 2845 O O . HOH M 8 . ? 14.705 -4.876 30.352 1.00 36.38 ? 156 HOH A O 1 HETATM 2846 O O . HOH M 8 . ? 15.149 23.222 22.189 1.00 28.74 ? 157 HOH A O 1 HETATM 2847 O O . HOH M 8 . ? 36.350 1.261 31.577 1.00 44.26 ? 158 HOH A O 1 HETATM 2848 O O . HOH M 8 . ? -4.879 -5.168 21.604 1.00 41.72 ? 159 HOH A O 1 HETATM 2849 O O . HOH M 8 . ? -3.251 1.689 -3.459 1.00 57.30 ? 160 HOH A O 1 HETATM 2850 O O . HOH M 8 . ? 20.939 -8.747 4.686 1.00 30.43 ? 161 HOH A O 1 HETATM 2851 O O . HOH M 8 . ? 12.812 8.116 4.326 1.00 40.30 ? 163 HOH A O 1 HETATM 2852 O O . HOH M 8 . ? 4.677 8.145 -2.302 1.00 43.53 ? 165 HOH A O 1 HETATM 2853 O O . HOH M 8 . ? 33.359 -5.486 25.995 1.00 34.75 ? 166 HOH A O 1 HETATM 2854 O O . HOH M 8 . ? 21.898 -15.111 26.594 1.00 41.59 ? 167 HOH A O 1 HETATM 2855 O O . HOH M 8 . ? -1.938 -17.167 11.904 1.00 46.19 ? 168 HOH A O 1 HETATM 2856 O O . HOH M 8 . ? -8.571 1.532 7.403 1.00 44.73 ? 169 HOH A O 1 HETATM 2857 O O . HOH M 8 . ? 18.588 14.687 6.548 1.00 56.62 ? 170 HOH A O 1 HETATM 2858 O O . HOH M 8 . ? 26.271 -10.290 25.574 1.00 35.09 ? 171 HOH A O 1 HETATM 2859 O O . HOH M 8 . ? 35.303 -1.905 8.807 1.00 40.89 ? 173 HOH A O 1 HETATM 2860 O O . HOH M 8 . ? 12.901 -2.872 26.770 1.00 48.48 ? 174 HOH A O 1 HETATM 2861 O O . HOH M 8 . ? 22.636 8.358 -4.591 1.00 62.15 ? 175 HOH A O 1 HETATM 2862 O O . HOH M 8 . ? 32.667 3.532 36.564 1.00 37.79 ? 179 HOH A O 1 HETATM 2863 O O . HOH M 8 . ? 34.176 2.311 32.724 1.00 30.18 ? 180 HOH A O 1 HETATM 2864 O O . HOH M 8 . ? 36.891 -7.777 17.444 1.00 39.81 ? 181 HOH A O 1 HETATM 2865 O O . HOH M 8 . ? 37.302 11.004 29.528 1.00 48.71 ? 183 HOH A O 1 HETATM 2866 O O . HOH M 8 . ? 20.589 17.340 23.608 1.00 35.40 ? 185 HOH A O 1 HETATM 2867 O O . HOH M 8 . ? 11.461 10.217 6.169 1.00 50.25 ? 187 HOH A O 1 HETATM 2868 O O . HOH M 8 . ? 2.496 -12.989 -6.362 1.00 46.71 ? 188 HOH A O 1 HETATM 2869 O O . HOH M 8 . ? 28.659 -15.138 19.787 1.00 51.94 ? 189 HOH A O 1 HETATM 2870 O O . HOH M 8 . ? 20.437 -11.050 13.725 1.00 46.23 ? 190 HOH A O 1 HETATM 2871 O O . HOH M 8 . ? 34.764 -1.538 30.147 1.00 55.40 ? 191 HOH A O 1 HETATM 2872 O O . HOH M 8 . ? 45.865 7.791 8.802 1.00 57.31 ? 192 HOH A O 1 HETATM 2873 O O . HOH M 8 . ? 23.997 -16.337 21.541 1.00 40.51 ? 193 HOH A O 1 HETATM 2874 O O . HOH M 8 . ? 32.814 -2.433 10.506 1.00 52.25 ? 194 HOH A O 1 HETATM 2875 O O . HOH M 8 . ? 11.356 -20.292 3.960 1.00 44.41 ? 195 HOH A O 1 HETATM 2876 O O . HOH M 8 . ? -7.074 -3.202 0.177 1.00 45.03 ? 199 HOH A O 1 HETATM 2877 O O . HOH M 8 . ? 34.799 -10.460 21.414 1.00 57.79 ? 201 HOH A O 1 HETATM 2878 O O . HOH M 8 . ? 32.184 -10.928 21.091 1.00 35.67 ? 202 HOH A O 1 HETATM 2879 O O . HOH M 8 . ? -4.481 -8.275 -2.508 1.00 42.90 ? 203 HOH A O 1 HETATM 2880 O O . HOH M 8 . ? 2.496 -1.460 26.963 1.00 38.33 ? 205 HOH A O 1 HETATM 2881 O O . HOH M 8 . ? 31.345 19.983 8.877 1.00 70.89 ? 207 HOH A O 1 HETATM 2882 O O . HOH M 8 . ? 15.748 7.211 3.595 1.00 55.25 ? 208 HOH A O 1 HETATM 2883 O O . HOH M 8 . ? 28.066 -20.286 13.651 1.00 54.94 ? 209 HOH A O 1 HETATM 2884 O O . HOH M 8 . ? -3.854 4.213 24.394 1.00 60.74 ? 210 HOH A O 1 HETATM 2885 O O . HOH M 8 . ? 30.524 23.116 21.038 1.00 49.90 ? 211 HOH A O 1 HETATM 2886 O O . HOH M 8 . ? 45.918 15.443 19.531 1.00 54.15 ? 212 HOH A O 1 HETATM 2887 O O . HOH M 8 . ? 36.649 0.190 29.124 1.00 56.77 ? 215 HOH A O 1 HETATM 2888 O O . HOH M 8 . ? 26.394 -18.316 17.810 1.00 57.97 ? 216 HOH A O 1 HETATM 2889 O O . HOH M 8 . ? 13.621 -4.670 -10.785 1.00 50.47 ? 217 HOH A O 1 HETATM 2890 O O . HOH M 8 . ? 0.010 -11.949 -6.014 1.00 46.52 ? 219 HOH A O 1 HETATM 2891 O O . HOH M 8 . ? 25.548 -5.578 -3.063 1.00 56.69 ? 220 HOH A O 1 HETATM 2892 O O . HOH M 8 . ? 25.038 -16.140 -0.290 1.00 48.81 ? 222 HOH A O 1 HETATM 2893 O O . HOH M 8 . ? 0.383 11.420 20.484 1.00 40.58 ? 223 HOH A O 1 HETATM 2894 O O . HOH M 8 . ? -8.706 3.522 22.177 1.00 53.63 ? 224 HOH A O 1 HETATM 2895 O O . HOH M 8 . ? 46.461 6.462 21.438 1.00 65.83 ? 226 HOH A O 1 HETATM 2896 O O . HOH M 8 . ? -7.213 -13.690 27.874 1.00 63.64 ? 227 HOH A O 1 HETATM 2897 O O . HOH M 8 . ? 28.247 -14.118 15.314 1.00 47.20 ? 228 HOH A O 1 HETATM 2898 O O . HOH M 8 . ? -4.371 -4.230 -3.578 1.00 50.93 ? 229 HOH A O 1 HETATM 2899 O O . HOH M 8 . ? -5.132 -15.886 18.004 1.00 56.15 ? 230 HOH A O 1 HETATM 2900 O O . HOH M 8 . ? 47.738 14.710 17.612 1.00 58.79 ? 231 HOH A O 1 HETATM 2901 O O . HOH M 8 . ? 22.670 1.406 -3.329 1.00 63.51 ? 233 HOH A O 1 HETATM 2902 O O . HOH M 8 . ? 27.196 3.966 5.895 1.00 44.48 ? 234 HOH A O 1 HETATM 2903 O O . HOH M 8 . ? 3.051 -12.098 26.664 1.00 45.10 ? 237 HOH A O 1 HETATM 2904 O O . HOH M 8 . ? 15.842 -22.369 16.536 1.00 37.98 ? 238 HOH A O 1 HETATM 2905 O O . HOH M 8 . ? 18.092 0.456 -5.639 1.00 53.87 ? 239 HOH A O 1 HETATM 2906 O O . HOH M 8 . ? 33.002 -0.894 35.717 1.00 49.90 ? 241 HOH A O 1 HETATM 2907 O O . HOH M 8 . ? -5.413 4.883 15.219 1.00 53.67 ? 243 HOH A O 1 HETATM 2908 O O . HOH M 8 . ? 22.221 12.312 32.938 1.00 30.19 ? 247 HOH A O 1 HETATM 2909 O O . HOH M 8 . ? 24.664 -18.843 23.614 1.00 56.97 ? 248 HOH A O 1 HETATM 2910 O O . HOH M 8 . ? 6.015 -22.169 15.103 1.00 56.18 ? 249 HOH A O 1 HETATM 2911 O O . HOH M 8 . ? -7.374 0.741 25.583 1.00 54.76 ? 250 HOH A O 1 HETATM 2912 O O . HOH M 8 . ? 10.368 3.758 30.638 1.00 46.57 ? 252 HOH A O 1 HETATM 2913 O O . HOH M 8 . ? 34.103 1.575 35.294 1.00 42.90 ? 253 HOH A O 1 HETATM 2914 O O . HOH M 8 . ? -7.017 -5.914 -0.954 1.00 41.29 ? 254 HOH A O 1 HETATM 2915 O O . HOH M 8 . ? 30.607 -13.008 17.620 1.00 60.33 ? 256 HOH A O 1 HETATM 2916 O O . HOH M 8 . ? 6.259 -22.066 17.959 1.00 49.96 ? 257 HOH A O 1 HETATM 2917 O O . HOH M 8 . ? 12.766 -20.088 11.669 1.00 35.25 ? 258 HOH A O 1 HETATM 2918 O O . HOH M 8 . ? 12.469 16.021 28.451 1.00 33.39 ? 259 HOH A O 1 HETATM 2919 O O . HOH M 8 . ? 14.285 16.269 30.201 1.00 25.30 ? 261 HOH A O 1 HETATM 2920 O O . HOH M 8 . ? 16.327 15.065 28.404 1.00 29.18 ? 262 HOH A O 1 HETATM 2921 O O . HOH M 8 . ? 24.054 -6.417 34.891 1.00 46.29 ? 263 HOH A O 1 HETATM 2922 O O . HOH M 8 . ? -7.138 3.118 24.327 1.00 43.72 ? 264 HOH A O 1 HETATM 2923 O O . HOH M 8 . ? 19.345 -12.900 10.684 1.00 23.90 ? 687 HOH A O 1 HETATM 2924 O O . HOH M 8 . ? 11.109 -10.396 14.237 1.00 12.98 ? 688 HOH A O 1 HETATM 2925 O O . HOH M 8 . ? 3.188 10.015 9.461 1.00 20.16 ? 689 HOH A O 1 HETATM 2926 O O . HOH M 8 . ? 11.423 18.479 27.730 1.00 39.21 ? 692 HOH A O 1 HETATM 2927 O O . HOH M 8 . ? 15.175 -21.320 12.105 1.00 50.76 ? 693 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 135 A ASN 476 ? ASN 'GLYCOSYLATION SITE' 2 A ASN 27 A ASN 368 ? 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 ? J FE . ? A FE 690 ? 1_555 OH ? A TYR 92 ? A TYR 433 ? 1_555 96.2 ? 2 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? J FE . ? A FE 690 ? 1_555 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 173.1 ? 3 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? J FE . ? A FE 690 ? 1_555 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 87.3 ? 4 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? J FE . ? A FE 690 ? 1_555 O2 ? K CO3 . ? A CO3 691 ? 1_555 94.4 ? 5 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? J FE . ? A FE 690 ? 1_555 O2 ? K CO3 . ? A CO3 691 ? 1_555 94.2 ? 6 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? J FE . ? A FE 690 ? 1_555 O2 ? K CO3 . ? A CO3 691 ? 1_555 91.3 ? 7 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? J FE . ? A FE 690 ? 1_555 O1 ? K CO3 . ? A CO3 691 ? 1_555 89.8 ? 8 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? J FE . ? A FE 690 ? 1_555 O1 ? K CO3 . ? A CO3 691 ? 1_555 156.2 ? 9 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? J FE . ? A FE 690 ? 1_555 O1 ? K CO3 . ? A CO3 691 ? 1_555 89.4 ? 10 O2 ? K CO3 . ? A CO3 691 ? 1_555 FE ? J FE . ? A FE 690 ? 1_555 O1 ? K CO3 . ? A CO3 691 ? 1_555 62.3 ? 11 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? J FE . ? A FE 690 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 84.6 ? 12 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? J FE . ? A FE 690 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 96.8 ? 13 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? J FE . ? A FE 690 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 89.1 ? 14 O2 ? K CO3 . ? A CO3 691 ? 1_555 FE ? J FE . ? A FE 690 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 169.0 ? 15 O1 ? K CO3 . ? A CO3 691 ? 1_555 FE ? J FE . ? A FE 690 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 106.7 ? 16 NE2 ? A HIS 247 ? A HIS 588 ? 1_555 ZN ? I ZN . ? A ZN 303 ? 1_555 O ? M HOH . ? A HOH 689 ? 1_555 93.4 ? 17 O ? M HOH . ? A HOH 157 ? 1_555 ZN ? H ZN . ? A ZN 302 ? 1_555 OE2 ? A GLU 318 ? A GLU 659 ? 1_555 92.4 ? 18 O ? M HOH . ? A HOH 157 ? 1_555 ZN ? H ZN . ? A ZN 302 ? 1_555 OE1 ? A GLU 318 ? A GLU 659 ? 1_555 98.7 ? 19 OE2 ? A GLU 318 ? A GLU 659 ? 1_555 ZN ? H ZN . ? A ZN 302 ? 1_555 OE1 ? A GLU 318 ? A GLU 659 ? 1_555 60.2 ? # _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 2011-08-31 # _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 REFMAC refinement 5.5.0109 ? 3 DENZO 'data reduction' . ? 4 SCALEPACK 'data scaling' . ? 5 # _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.entry_id 3TAJ _pdbx_entry_details.nonpolymer_details ? _pdbx_entry_details.compound_details ? _pdbx_entry_details.source_details ? # 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 TRP A 467 ? ? -134.97 -60.01 2 1 ALA A 482 ? ? -79.88 48.82 3 1 SER A 634 ? ? -145.55 21.04 4 1 LEU A 640 ? ? 75.44 -49.79 5 1 GLU A 682 ? ? -163.34 76.63 # 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 nabumetone NBO 3 N-ACETYL-D-GLUCOSAMINE NAG 4 'ZINC ION' ZN 5 'FE (III) ION' FE 6 'CARBONATE ION' CO3 7 'SULFATE ION' SO4 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 NBO 1 700 700 NBO NBO A . C 3 NAG 1 1 1 NAG NAG A . D 3 NAG 1 2 2 NAG NAG A . E 3 NAG 2 3 3 NAG NAG A . F 3 NAG 1 5 5 NAG NAG A . G 3 NAG 2 6 6 NAG NAG A . H 4 ZN 1 302 302 ZN ZN A . I 4 ZN 1 303 303 ZN ZN A . J 5 FE 1 690 690 FE FE A . K 6 CO3 1 691 691 CO3 CO3 A . L 7 SO4 1 301 301 SO4 SO4 A . M 8 HOH 1 4 4 HOH HOH A . M 8 HOH 2 7 7 HOH HOH A . M 8 HOH 3 8 8 HOH HOH A . M 8 HOH 4 9 9 HOH HOH A . M 8 HOH 5 11 11 HOH HOH A . M 8 HOH 6 12 12 HOH HOH A . M 8 HOH 7 13 13 HOH HOH A . M 8 HOH 8 14 14 HOH HOH A . M 8 HOH 9 15 15 HOH HOH A . M 8 HOH 10 16 16 HOH HOH A . M 8 HOH 11 17 17 HOH HOH A . M 8 HOH 12 18 18 HOH HOH A . M 8 HOH 13 19 19 HOH HOH A . M 8 HOH 14 20 20 HOH HOH A . M 8 HOH 15 21 21 HOH HOH A . M 8 HOH 16 22 22 HOH HOH A . M 8 HOH 17 23 23 HOH HOH A . M 8 HOH 18 24 24 HOH HOH A . M 8 HOH 19 25 25 HOH HOH A . M 8 HOH 20 26 26 HOH HOH A . M 8 HOH 21 27 27 HOH HOH A . M 8 HOH 22 28 28 HOH HOH A . M 8 HOH 23 29 29 HOH HOH A . M 8 HOH 24 30 30 HOH HOH A . M 8 HOH 25 31 31 HOH HOH A . M 8 HOH 26 32 32 HOH HOH A . M 8 HOH 27 33 33 HOH HOH A . M 8 HOH 28 34 34 HOH HOH A . M 8 HOH 29 35 35 HOH HOH A . M 8 HOH 30 36 36 HOH HOH A . M 8 HOH 31 37 37 HOH HOH A . M 8 HOH 32 38 38 HOH HOH A . M 8 HOH 33 39 39 HOH HOH A . M 8 HOH 34 40 40 HOH HOH A . M 8 HOH 35 41 41 HOH HOH A . M 8 HOH 36 42 42 HOH HOH A . M 8 HOH 37 43 43 HOH HOH A . M 8 HOH 38 44 44 HOH HOH A . M 8 HOH 39 45 45 HOH HOH A . M 8 HOH 40 46 46 HOH HOH A . M 8 HOH 41 47 47 HOH HOH A . M 8 HOH 42 48 48 HOH HOH A . M 8 HOH 43 49 49 HOH HOH A . M 8 HOH 44 51 51 HOH HOH A . M 8 HOH 45 52 52 HOH HOH A . M 8 HOH 46 53 53 HOH HOH A . M 8 HOH 47 54 54 HOH HOH A . M 8 HOH 48 55 55 HOH HOH A . M 8 HOH 49 56 56 HOH HOH A . M 8 HOH 50 57 57 HOH HOH A . M 8 HOH 51 58 58 HOH HOH A . M 8 HOH 52 59 59 HOH HOH A . M 8 HOH 53 60 60 HOH HOH A . M 8 HOH 54 61 61 HOH HOH A . M 8 HOH 55 62 62 HOH HOH A . M 8 HOH 56 63 63 HOH HOH A . M 8 HOH 57 64 64 HOH HOH A . M 8 HOH 58 65 65 HOH HOH A . M 8 HOH 59 66 66 HOH HOH A . M 8 HOH 60 67 67 HOH HOH A . M 8 HOH 61 68 68 HOH HOH A . M 8 HOH 62 69 69 HOH HOH A . M 8 HOH 63 70 70 HOH HOH A . M 8 HOH 64 71 71 HOH HOH A . M 8 HOH 65 72 72 HOH HOH A . M 8 HOH 66 73 73 HOH HOH A . M 8 HOH 67 75 75 HOH HOH A . M 8 HOH 68 76 76 HOH HOH A . M 8 HOH 69 77 77 HOH HOH A . M 8 HOH 70 78 78 HOH HOH A . M 8 HOH 71 80 80 HOH HOH A . M 8 HOH 72 81 81 HOH HOH A . M 8 HOH 73 82 82 HOH HOH A . M 8 HOH 74 83 83 HOH HOH A . M 8 HOH 75 84 84 HOH HOH A . M 8 HOH 76 85 85 HOH HOH A . M 8 HOH 77 86 86 HOH HOH A . M 8 HOH 78 87 87 HOH HOH A . M 8 HOH 79 88 88 HOH HOH A . M 8 HOH 80 89 89 HOH HOH A . M 8 HOH 81 90 90 HOH HOH A . M 8 HOH 82 91 91 HOH HOH A . M 8 HOH 83 92 92 HOH HOH A . M 8 HOH 84 94 94 HOH HOH A . M 8 HOH 85 95 95 HOH HOH A . M 8 HOH 86 96 96 HOH HOH A . M 8 HOH 87 97 97 HOH HOH A . M 8 HOH 88 98 98 HOH HOH A . M 8 HOH 89 99 99 HOH HOH A . M 8 HOH 90 100 100 HOH HOH A . M 8 HOH 91 101 101 HOH HOH A . M 8 HOH 92 102 102 HOH HOH A . M 8 HOH 93 104 104 HOH HOH A . M 8 HOH 94 105 105 HOH HOH A . M 8 HOH 95 106 106 HOH HOH A . M 8 HOH 96 107 107 HOH HOH A . M 8 HOH 97 108 108 HOH HOH A . M 8 HOH 98 109 109 HOH HOH A . M 8 HOH 99 110 110 HOH HOH A . M 8 HOH 100 111 111 HOH HOH A . M 8 HOH 101 112 112 HOH HOH A . M 8 HOH 102 113 113 HOH HOH A . M 8 HOH 103 114 114 HOH HOH A . M 8 HOH 104 115 115 HOH HOH A . M 8 HOH 105 116 116 HOH HOH A . M 8 HOH 106 118 118 HOH HOH A . M 8 HOH 107 119 119 HOH HOH A . M 8 HOH 108 120 120 HOH HOH A . M 8 HOH 109 121 121 HOH HOH A . M 8 HOH 110 122 122 HOH HOH A . M 8 HOH 111 123 123 HOH HOH A . M 8 HOH 112 124 124 HOH HOH A . M 8 HOH 113 125 125 HOH HOH A . M 8 HOH 114 126 126 HOH HOH A . M 8 HOH 115 127 127 HOH HOH A . M 8 HOH 116 128 128 HOH HOH A . M 8 HOH 117 129 129 HOH HOH A . M 8 HOH 118 130 130 HOH HOH A . M 8 HOH 119 131 131 HOH HOH A . M 8 HOH 120 133 133 HOH HOH A . M 8 HOH 121 134 134 HOH HOH A . M 8 HOH 122 135 135 HOH HOH A . M 8 HOH 123 136 136 HOH HOH A . M 8 HOH 124 137 137 HOH HOH A . M 8 HOH 125 138 138 HOH HOH A . M 8 HOH 126 139 139 HOH HOH A . M 8 HOH 127 140 140 HOH HOH A . M 8 HOH 128 141 141 HOH HOH A . M 8 HOH 129 142 142 HOH HOH A . M 8 HOH 130 143 143 HOH HOH A . M 8 HOH 131 144 144 HOH HOH A . M 8 HOH 132 145 145 HOH HOH A . M 8 HOH 133 146 146 HOH HOH A . M 8 HOH 134 147 147 HOH HOH A . M 8 HOH 135 148 148 HOH HOH A . M 8 HOH 136 149 149 HOH HOH A . M 8 HOH 137 150 150 HOH HOH A . M 8 HOH 138 151 151 HOH HOH A . M 8 HOH 139 152 152 HOH HOH A . M 8 HOH 140 153 153 HOH HOH A . M 8 HOH 141 155 155 HOH HOH A . M 8 HOH 142 156 156 HOH HOH A . M 8 HOH 143 157 157 HOH HOH A . M 8 HOH 144 158 158 HOH HOH A . M 8 HOH 145 159 159 HOH HOH A . M 8 HOH 146 160 160 HOH HOH A . M 8 HOH 147 161 161 HOH HOH A . M 8 HOH 148 163 163 HOH HOH A . M 8 HOH 149 165 165 HOH HOH A . M 8 HOH 150 166 166 HOH HOH A . M 8 HOH 151 167 167 HOH HOH A . M 8 HOH 152 168 168 HOH HOH A . M 8 HOH 153 169 169 HOH HOH A . M 8 HOH 154 170 170 HOH HOH A . M 8 HOH 155 171 171 HOH HOH A . M 8 HOH 156 173 173 HOH HOH A . M 8 HOH 157 174 174 HOH HOH A . M 8 HOH 158 175 175 HOH HOH A . M 8 HOH 159 179 179 HOH HOH A . M 8 HOH 160 180 180 HOH HOH A . M 8 HOH 161 181 181 HOH HOH A . M 8 HOH 162 183 183 HOH HOH A . M 8 HOH 163 185 185 HOH HOH A . M 8 HOH 164 187 187 HOH HOH A . M 8 HOH 165 188 188 HOH HOH A . M 8 HOH 166 189 189 HOH HOH A . M 8 HOH 167 190 190 HOH HOH A . M 8 HOH 168 191 191 HOH HOH A . M 8 HOH 169 192 192 HOH HOH A . M 8 HOH 170 193 193 HOH HOH A . M 8 HOH 171 194 194 HOH HOH A . M 8 HOH 172 195 195 HOH HOH A . M 8 HOH 173 199 199 HOH HOH A . M 8 HOH 174 201 201 HOH HOH A . M 8 HOH 175 202 202 HOH HOH A . M 8 HOH 176 203 203 HOH HOH A . M 8 HOH 177 205 205 HOH HOH A . M 8 HOH 178 207 207 HOH HOH A . M 8 HOH 179 208 208 HOH HOH A . M 8 HOH 180 209 209 HOH HOH A . M 8 HOH 181 210 210 HOH HOH A . M 8 HOH 182 211 211 HOH HOH A . M 8 HOH 183 212 212 HOH HOH A . M 8 HOH 184 215 215 HOH HOH A . M 8 HOH 185 216 216 HOH HOH A . M 8 HOH 186 217 217 HOH HOH A . M 8 HOH 187 219 219 HOH HOH A . M 8 HOH 188 220 220 HOH HOH A . M 8 HOH 189 222 222 HOH HOH A . M 8 HOH 190 223 223 HOH HOH A . M 8 HOH 191 224 224 HOH HOH A . M 8 HOH 192 226 226 HOH HOH A . M 8 HOH 193 227 227 HOH HOH A . M 8 HOH 194 228 228 HOH HOH A . M 8 HOH 195 229 229 HOH HOH A . M 8 HOH 196 230 230 HOH HOH A . M 8 HOH 197 231 231 HOH HOH A . M 8 HOH 198 233 233 HOH HOH A . M 8 HOH 199 234 234 HOH HOH A . M 8 HOH 200 237 237 HOH HOH A . M 8 HOH 201 238 238 HOH HOH A . M 8 HOH 202 239 239 HOH HOH A . M 8 HOH 203 241 241 HOH HOH A . M 8 HOH 204 243 243 HOH HOH A . M 8 HOH 205 247 247 HOH HOH A . M 8 HOH 206 248 248 HOH HOH A . M 8 HOH 207 249 249 HOH HOH A . M 8 HOH 208 250 250 HOH HOH A . M 8 HOH 209 252 252 HOH HOH A . M 8 HOH 210 253 253 HOH HOH A . M 8 HOH 211 254 254 HOH HOH A . M 8 HOH 212 256 256 HOH HOH A . M 8 HOH 213 257 257 HOH HOH A . M 8 HOH 214 258 258 HOH HOH A . M 8 HOH 215 259 259 HOH HOH A . M 8 HOH 216 261 261 HOH HOH A . M 8 HOH 217 262 262 HOH HOH A . M 8 HOH 218 263 263 HOH HOH A . M 8 HOH 219 264 264 HOH HOH A . M 8 HOH 220 687 1 HOH HOH A . M 8 HOH 221 688 2 HOH HOH A . M 8 HOH 222 689 3 HOH HOH A . M 8 HOH 223 692 5 HOH HOH A . M 8 HOH 224 693 6 HOH HOH A . #