data_3O97 # _entry.id 3O97 # _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 3O97 RCSB RCSB060823 WWPDB D_1000060823 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 2DWA . unspecified PDB 2DXY . unspecified PDB 3IBO . unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 3O97 _pdbx_database_status.recvd_initial_deposition_date 2010-08-04 _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 'Shukla, P.K.' 1 'Sinha, M.' 2 'Bhushan, A.' 3 'Vikram, G.' 4 'Kaur, P.' 5 'Sharma, S.' 6 'Singh, T.P.' 7 # _citation.id primary _citation.title 'Crystal Structure of the complex of C-lobe of lactoferrin with indole acetic acid at 2.68 A Resolution' _citation.journal_abbrev 'To be Published' _citation.journal_volume ? _citation.page_first ? _citation.page_last ? _citation.year ? _citation.journal_id_ASTM ? _citation.country ? _citation.journal_id_ISSN ? _citation.journal_id_CSD 0353 _citation.book_publisher ? _citation.pdbx_database_id_PubMed ? _citation.pdbx_database_id_DOI ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Shukla, P.K.' 1 primary 'Sinha, M.' 2 primary 'Bhushan, A.' 3 primary 'Vikram, G.' 4 primary 'Kaur, P.' 5 primary 'Sharma, S.' 6 primary 'Singh, T.P.' 7 # _cell.entry_id 3O97 _cell.length_a 63.234 _cell.length_b 50.396 _cell.length_c 65.893 _cell.angle_alpha 90.00 _cell.angle_beta 107.70 _cell.angle_gamma 90.00 _cell.Z_PDB 2 _cell.pdbx_unique_axis ? _cell.length_a_esd ? _cell.length_b_esd ? _cell.length_c_esd ? _cell.angle_alpha_esd ? _cell.angle_beta_esd ? _cell.angle_gamma_esd ? # _symmetry.entry_id 3O97 _symmetry.space_group_name_H-M 'P 1 21 1' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 4 _symmetry.space_group_name_Hall ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer nat Lactotransferrin 37655.504 1 3.4.21.- ? 'C-lobe (UNP RESIDUES 361-705)' ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 5 ? ? ? ? 3 non-polymer syn '1H-INDOL-3-YLACETIC ACID' 175.184 1 ? ? ? ? 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 18.015 150 ? ? ? ? # _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,cow,domestic cattle,domestic cow' _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 3O97 _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 3O97 LYS A 224 ? UNP P24627 ASN 584 'SEE REMARK 999' 565 1 1 3O97 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 IAC non-polymer . '1H-INDOL-3-YLACETIC ACID' 'INDOLE ACETIC ACID' 'C10 H9 N O2' 175.184 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 SO4 non-polymer . 'SULFATE ION' ? 'O4 S -2' 96.063 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 ZN non-polymer . 'ZINC ION' ? 'Zn 2' 65.409 # _exptl.entry_id 3O97 _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.66 _exptl_crystal.density_percent_sol 53.69 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION' _exptl_crystal_grow.temp 298 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 6.5 _exptl_crystal_grow.pdbx_details '0.01M Znso4, 0.1M MES, 25% PEG, Monomethyl Ether 550, pH 6.5, VAPOR DIFFUSION, temperature 298K' _exptl_crystal_grow.pdbx_pH_range . # _diffrn.id 1 _diffrn.ambient_temp 300 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector 'IMAGE PLATE' _diffrn_detector.type MARRESEARCH _diffrn_detector.pdbx_collection_date 2010-07-26 _diffrn_detector.details MIRROR # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator GRAPHITE _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.541 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source 'ROTATING ANODE' _diffrn_source.type 'RIGAKU RU300' _diffrn_source.pdbx_synchrotron_site ? _diffrn_source.pdbx_synchrotron_beamline ? _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 1.541 # _reflns.entry_id 3O97 _reflns.observed_criterion_sigma_I 0.0 _reflns.observed_criterion_sigma_F 0.0 _reflns.d_resolution_low 63.25 _reflns.d_resolution_high 2.68 _reflns.number_obs 10731 _reflns.number_all 11266 _reflns.percent_possible_obs 98.2 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI 9.8 _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy ? _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # _reflns_shell.d_res_high 2.68 _reflns_shell.d_res_low 2.78 _reflns_shell.percent_possible_all 99.8 _reflns_shell.Rmerge_I_obs ? _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs ? _reflns_shell.pdbx_redundancy ? _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all ? _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_unique_obs ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_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 3O97 _refine.ls_number_reflns_obs 10309 _refine.ls_number_reflns_all 10309 _refine.pdbx_ls_sigma_I 0.0 _refine.pdbx_ls_sigma_F 0.0 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 63.24 _refine.ls_d_res_high 2.68 _refine.ls_percent_reflns_obs 99.59 _refine.ls_R_factor_obs 0.17456 _refine.ls_R_factor_all 0.176 _refine.ls_R_factor_R_work 0.17214 _refine.ls_R_factor_R_free 0.22243 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 4.7 _refine.ls_number_reflns_R_free 535 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.950 _refine.correlation_coeff_Fo_to_Fc_free 0.929 _refine.B_iso_mean 39.988 _refine.aniso_B[1][1] 0.91 _refine.aniso_B[2][2] -1.44 _refine.aniso_B[3][3] -0.27 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] -1.33 _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 1.20 _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 3IB1 _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R_Free 0.313 _refine.overall_SU_ML 0.209 _refine.overall_SU_B 9.821 _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_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_overall_phase_error ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_diffrn_id 1 _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 95 _refine_hist.number_atoms_solvent 150 _refine_hist.number_atoms_total 2849 _refine_hist.d_res_high 2.68 _refine_hist.d_res_low 63.24 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function r_bond_refined_d 0.020 0.022 ? 2755 'X-RAY DIFFRACTION' ? r_angle_refined_deg 2.075 1.985 ? 3740 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 6.097 5.000 ? 339 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 40.795 25.169 ? 118 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 17.971 15.000 ? 448 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 16.086 15.000 ? 12 'X-RAY DIFFRACTION' ? r_chiral_restr 0.092 0.200 ? 423 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.005 0.020 ? 2041 'X-RAY DIFFRACTION' ? r_nbd_refined 0.237 0.200 ? 1212 'X-RAY DIFFRACTION' ? r_nbtor_refined 0.308 0.200 ? 1879 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_refined 0.161 0.200 ? 146 'X-RAY DIFFRACTION' ? r_metal_ion_refined 0.128 0.200 ? 1 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined 0.285 0.200 ? 25 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined 0.307 0.200 ? 10 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_refined 0.060 0.200 ? 2 'X-RAY DIFFRACTION' ? r_mcbond_it 0.963 1.500 ? 1728 'X-RAY DIFFRACTION' ? r_mcangle_it 1.715 2.000 ? 2706 'X-RAY DIFFRACTION' ? r_scbond_it 2.296 3.000 ? 1152 'X-RAY DIFFRACTION' ? r_scangle_it 3.793 4.500 ? 1034 '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 2.680 _refine_ls_shell.d_res_low 2.750 _refine_ls_shell.number_reflns_R_work 794 _refine_ls_shell.R_factor_R_work 0.245 _refine_ls_shell.percent_reflns_obs 100.00 _refine_ls_shell.R_factor_R_free 0.333 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 40 _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 3O97 _struct.title 'Crystal Structure of the complex of C-lobe of lactoferrin with indole acetic acid at 2.68 A Resolution' _struct.pdbx_descriptor 'Lactotransferrin (E.C.3.4.21.-)' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 3O97 _struct_keywords.pdbx_keywords HYDROLASE _struct_keywords.text 'COMPLEX, C-LOBE, INDOLE ACETIC ACID, HYDROLASE' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 2 ? D N N 2 ? E N N 2 ? F N N 2 ? G N N 3 ? H N N 4 ? I N N 4 ? J N N 5 ? K N N 6 ? L N N 7 ? M N N 8 ? # _struct_biol.id 1 _struct_biol.details ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 GLY A 10 ? SER A 24 ? GLY A 351 SER A 365 1 ? 15 HELX_P HELX_P2 2 THR A 35 ? LYS A 45 ? THR A 376 LYS A 386 1 ? 11 HELX_P HELX_P3 3 ASP A 54 ? CYS A 64 ? ASP A 395 CYS A 405 1 ? 11 HELX_P HELX_P4 4 THR A 106 ? LEU A 110 ? THR A 447 LEU A 451 5 ? 5 HELX_P HELX_P5 5 TRP A 126 ? GLY A 138 ? TRP A 467 GLY A 479 1 ? 13 HELX_P HELX_P6 6 ALA A 141 ? PHE A 145 ? ALA A 482 PHE A 486 5 ? 5 HELX_P HELX_P7 7 TYR A 183 ? GLU A 194 ? TYR A 524 GLU A 535 1 ? 12 HELX_P HELX_P8 8 ASN A 204 ? ASN A 210 ? ASN A 545 ASN A 551 1 ? 7 HELX_P HELX_P9 9 LYS A 224 ? GLU A 226 ? LYS A 565 GLU A 567 5 ? 3 HELX_P HELX_P10 10 GLU A 242 ? CYS A 246 ? GLU A 583 CYS A 587 5 ? 5 HELX_P HELX_P11 11 ARG A 262 ? GLY A 278 ? ARG A 603 GLY A 619 1 ? 17 HELX_P HELX_P12 12 THR A 315 ? GLY A 321 ? THR A 656 GLY A 662 1 ? 7 HELX_P HELX_P13 13 GLY A 321 ? LYS A 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 ? ? ? ? ? ? ? 2.025 ? disulf2 disulf ? ? A CYS 17 SG ? ? ? 1_555 A CYS 30 SG ? ? A CYS 358 A CYS 371 1_555 ? ? ? ? ? ? ? 2.034 ? disulf3 disulf ? ? A CYS 64 SG ? ? ? 1_555 A CYS 343 SG ? ? A CYS 405 A CYS 684 1_555 ? ? ? ? ? ? ? 2.036 ? disulf4 disulf ? ? A CYS 84 SG ? ? ? 1_555 A CYS 306 SG ? ? A CYS 425 A CYS 647 1_555 ? ? ? ? ? ? ? 1.996 ? disulf5 disulf ? ? A CYS 116 SG ? ? ? 1_555 A CYS 191 SG ? ? A CYS 457 A CYS 532 1_555 ? ? ? ? ? ? ? 2.016 ? disulf6 disulf ? ? A CYS 140 SG ? ? ? 1_555 A CYS 334 SG ? ? A CYS 481 A CYS 675 1_555 ? ? ? ? ? ? ? 2.017 ? disulf7 disulf ? ? A CYS 150 SG ? ? ? 1_555 A CYS 164 SG ? ? A CYS 491 A CYS 505 1_555 ? ? ? ? ? ? ? 2.043 ? disulf8 disulf ? ? A CYS 161 SG ? ? ? 1_555 A CYS 174 SG ? ? A CYS 502 A CYS 515 1_555 ? ? ? ? ? ? ? 2.010 ? disulf9 disulf ? ? A CYS 232 SG ? ? ? 1_555 A CYS 246 SG ? ? A CYS 573 A CYS 587 1_555 ? ? ? ? ? ? ? 2.017 ? disulf10 disulf ? ? A CYS 284 SG ? ? ? 1_555 A CYS 289 SG ? ? A CYS 625 A CYS 630 1_555 ? ? ? ? ? ? ? 2.023 ? covale1 covale ? ? A ASN 204 ND2 ? ? ? 1_555 E NAG . C1 ? ? A ASN 545 A NAG 5 1_555 ? ? ? ? ? ? ? 1.435 ? covale2 covale ? ? E NAG . O4 ? ? ? 1_555 F NAG . C1 ? ? A NAG 5 A NAG 6 1_555 ? ? ? ? ? ? ? 1.443 ? covale3 covale ? ? C NAG . O4 ? ? ? 1_555 D NAG . C1 ? ? A NAG 2 A NAG 3 1_555 ? ? ? ? ? ? ? 1.447 ? metalc1 metalc ? ? A TYR 185 OH ? ? ? 1_555 J FE . FE ? ? A TYR 526 A FE 690 1_555 ? ? ? ? ? ? ? 1.833 ? metalc2 metalc ? ? A ASP 54 OD1 ? ? ? 1_555 J FE . FE ? ? A ASP 395 A FE 690 1_555 ? ? ? ? ? ? ? 2.021 ? metalc3 metalc ? ? A TYR 92 OH ? ? ? 1_555 J FE . FE ? ? A TYR 433 A FE 690 1_555 ? ? ? ? ? ? ? 2.028 ? metalc4 metalc ? ? A GLU 318 OE2 ? ? ? 1_555 H ZN . ZN ? ? A GLU 659 A ZN 302 1_555 ? ? ? ? ? ? ? 2.033 ? metalc5 metalc ? ? A HIS 247 NE2 ? ? ? 1_555 I ZN . ZN ? ? A HIS 588 A ZN 303 1_555 ? ? ? ? ? ? ? 2.089 ? metalc6 metalc ? ? J FE . FE ? ? ? 1_555 K CO3 . O1 ? ? A FE 690 A CO3 691 1_555 ? ? ? ? ? ? ? 2.136 ? metalc7 metalc ? ? J FE . FE ? ? ? 1_555 K CO3 . O2 ? ? A FE 690 A CO3 691 1_555 ? ? ? ? ? ? ? 2.152 ? metalc8 metalc ? ? A HIS 254 NE2 ? ? ? 1_555 J FE . FE ? ? A HIS 595 A FE 690 1_555 ? ? ? ? ? ? ? 2.246 ? metalc9 metalc ? ? A GLU 318 OE1 ? ? ? 1_555 H ZN . ZN ? ? A GLU 659 A ZN 302 1_555 ? ? ? ? ? ? ? 2.509 ? # 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 0.00 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 2 ? B ? 4 ? C ? 6 ? D ? 5 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? parallel B 1 2 ? anti-parallel B 2 3 ? anti-parallel B 3 4 ? anti-parallel C 1 2 ? parallel C 2 3 ? parallel C 3 4 ? anti-parallel C 4 5 ? anti-parallel C 5 6 ? anti-parallel D 1 2 ? parallel D 2 3 ? parallel D 3 4 ? anti-parallel D 4 5 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 VAL A 4 ? VAL A 9 ? VAL A 345 VAL A 350 A 2 VAL A 28 ? ALA A 33 ? VAL A 369 ALA A 374 B 1 ALA A 50 ? LEU A 53 ? ALA A 391 LEU A 394 B 2 ALA A 255 ? ARG A 259 ? ALA A 596 ARG A 600 B 3 LEU A 66 ? ARG A 74 ? LEU A 407 ARG A 415 B 4 THR A 304 ? ALA A 308 ? THR A 645 ALA A 649 C 1 GLN A 148 ? CYS A 150 ? GLN A 489 CYS A 491 C 2 LYS A 114 ? HIS A 117 ? LYS A 455 HIS A 458 C 3 VAL A 199 ? LYS A 203 ? VAL A 540 LYS A 544 C 4 TYR A 92 ? LYS A 99 ? TYR A 433 LYS A 440 C 5 PHE A 228 ? LEU A 231 ? PHE A 569 LEU A 572 C 6 ARG A 237 ? LYS A 238 ? ARG A 578 LYS A 579 D 1 GLN A 148 ? CYS A 150 ? GLN A 489 CYS A 491 D 2 LYS A 114 ? HIS A 117 ? LYS A 455 HIS A 458 D 3 VAL A 199 ? LYS A 203 ? VAL A 540 LYS A 544 D 4 TYR A 92 ? LYS A 99 ? TYR A 433 LYS A 440 D 5 ALA A 249 ? ALA A 251 ? ALA A 590 ALA A 592 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 N ALA A 8 ? N ALA A 349 O ALA A 31 ? O ALA A 372 B 1 2 N LEU A 53 ? N LEU A 394 O ALA A 255 ? O ALA A 596 B 2 3 O SER A 258 ? O SER A 599 N VAL A 67 ? N VAL A 408 B 3 4 N ALA A 71 ? N ALA A 412 O ALA A 308 ? O ALA A 649 C 1 2 O CYS A 150 ? O CYS A 491 N HIS A 117 ? N HIS A 458 C 2 3 N CYS A 116 ? N CYS A 457 O VAL A 199 ? O VAL A 540 C 3 4 O VAL A 202 ? O VAL A 543 N VAL A 95 ? N VAL A 436 C 4 5 N 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 VAL A 199 ? O VAL A 540 D 3 4 O VAL A 202 ? O VAL A 543 N VAL A 95 ? N VAL A 436 D 4 5 N TYR A 92 ? N TYR A 433 O ALA A 251 ? O ALA A 592 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 1' AC2 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG A 2' AC3 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG A 3' AC4 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG A 5' AC5 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE NAG A 6' AC6 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE IAC A 1001' AC7 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE ZN A 302' AC8 Software ? ? ? ? 1 '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 ? ? ? ? 2 '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 4 SER A 24 ? SER A 365 . ? 1_555 ? 2 AC1 4 ASN A 27 ? ASN A 368 . ? 1_555 ? 3 AC1 4 HIS A 272 ? HIS A 613 . ? 1_555 ? 4 AC1 4 GLN A 273 ? GLN A 614 . ? 1_555 ? 5 AC2 5 NAG D . ? NAG A 3 . ? 1_555 ? 6 AC2 5 ASN A 135 ? ASN A 476 . ? 1_555 ? 7 AC2 5 ALA A 327 ? ALA A 668 . ? 1_555 ? 8 AC2 5 ASN A 330 ? ASN A 671 . ? 1_555 ? 9 AC2 5 HOH M . ? HOH A 753 . ? 1_555 ? 10 AC3 3 NAG C . ? NAG A 2 . ? 1_555 ? 11 AC3 3 ASN A 330 ? ASN A 671 . ? 1_555 ? 12 AC3 3 HOH M . ? HOH A 798 . ? 1_555 ? 13 AC4 6 NAG F . ? NAG A 6 . ? 1_555 ? 14 AC4 6 LEU A 93 ? LEU A 434 . ? 1_555 ? 15 AC4 6 ASN A 204 ? ASN A 545 . ? 1_555 ? 16 AC4 6 ASP A 205 ? ASP A 546 . ? 1_555 ? 17 AC4 6 ALA A 243 ? ALA A 584 . ? 1_555 ? 18 AC4 6 GLN A 244 ? GLN A 585 . ? 1_555 ? 19 AC5 2 NAG E . ? NAG A 5 . ? 1_555 ? 20 AC5 2 TRP A 208 ? TRP A 549 . ? 1_555 ? 21 AC6 5 THR A 89 ? THR A 430 . ? 1_555 ? 22 AC6 5 PRO A 252 ? PRO A 593 . ? 1_555 ? 23 AC6 5 ASN A 253 ? ASN A 594 . ? 1_555 ? 24 AC6 5 GLU A 318 ? GLU A 659 . ? 1_555 ? 25 AC6 5 TYR A 319 ? TYR A 660 . ? 1_555 ? 26 AC7 1 GLU A 318 ? GLU A 659 . ? 1_555 ? 27 AC8 1 HIS A 247 ? HIS A 588 . ? 1_555 ? 28 AC9 5 ASP A 54 ? ASP A 395 . ? 1_555 ? 29 AC9 5 TYR A 92 ? TYR A 433 . ? 1_555 ? 30 AC9 5 TYR A 185 ? TYR A 526 . ? 1_555 ? 31 AC9 5 HIS A 254 ? HIS A 595 . ? 1_555 ? 32 AC9 5 CO3 K . ? CO3 A 691 . ? 1_555 ? 33 BC1 10 ASP A 54 ? ASP A 395 . ? 1_555 ? 34 BC1 10 TYR A 92 ? TYR A 433 . ? 1_555 ? 35 BC1 10 THR A 118 ? THR A 459 . ? 1_555 ? 36 BC1 10 ARG A 122 ? ARG A 463 . ? 1_555 ? 37 BC1 10 THR A 123 ? THR A 464 . ? 1_555 ? 38 BC1 10 ALA A 124 ? ALA A 465 . ? 1_555 ? 39 BC1 10 GLY A 125 ? GLY A 466 . ? 1_555 ? 40 BC1 10 TYR A 185 ? TYR A 526 . ? 1_555 ? 41 BC1 10 HIS A 254 ? HIS A 595 . ? 1_555 ? 42 BC1 10 FE J . ? FE A 690 . ? 1_555 ? 43 BC2 2 ARG A 229 ? ARG A 570 . ? 1_555 ? 44 BC2 2 ARG A 237 ? ARG A 578 . ? 1_555 ? # _database_PDB_matrix.entry_id 3O97 _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 3O97 _atom_sites.fract_transf_matrix[1][1] 0.015814 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.005047 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.019843 _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] 0.015930 _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 ? 42.909 10.704 29.837 1.00 73.14 ? 342 TYR A N 1 ATOM 2 C CA . TYR A 1 1 ? 42.165 11.960 30.205 1.00 72.88 ? 342 TYR A CA 1 ATOM 3 C C . TYR A 1 1 ? 40.814 12.103 29.453 1.00 71.39 ? 342 TYR A C 1 ATOM 4 O O . TYR A 1 1 ? 39.741 12.113 30.074 1.00 71.50 ? 342 TYR A O 1 ATOM 5 C CB . TYR A 1 1 ? 43.062 13.202 30.008 1.00 74.05 ? 342 TYR A CB 1 ATOM 6 C CG . TYR A 1 1 ? 43.956 13.565 31.207 1.00 76.12 ? 342 TYR A CG 1 ATOM 7 C CD1 . TYR A 1 1 ? 43.428 14.295 32.311 1.00 77.86 ? 342 TYR A CD1 1 ATOM 8 C CD2 . TYR A 1 1 ? 45.339 13.211 31.225 1.00 77.37 ? 342 TYR A CD2 1 ATOM 9 C CE1 . TYR A 1 1 ? 44.253 14.651 33.418 1.00 77.90 ? 342 TYR A CE1 1 ATOM 10 C CE2 . TYR A 1 1 ? 46.173 13.559 32.327 1.00 77.87 ? 342 TYR A CE2 1 ATOM 11 C CZ . TYR A 1 1 ? 45.620 14.279 33.419 1.00 77.47 ? 342 TYR A CZ 1 ATOM 12 O OH . TYR A 1 1 ? 46.422 14.631 34.496 1.00 76.55 ? 342 TYR A OH 1 ATOM 13 N N . THR A 1 2 ? 40.876 12.183 28.122 1.00 69.04 ? 343 THR A N 1 ATOM 14 C CA . THR A 1 2 ? 39.680 12.329 27.270 1.00 66.44 ? 343 THR A CA 1 ATOM 15 C C . THR A 1 2 ? 39.080 10.973 26.760 1.00 64.11 ? 343 THR A C 1 ATOM 16 O O . THR A 1 2 ? 38.501 10.903 25.674 1.00 64.33 ? 343 THR A O 1 ATOM 17 C CB . THR A 1 2 ? 39.977 13.307 26.070 1.00 66.84 ? 343 THR A CB 1 ATOM 18 O OG1 . THR A 1 2 ? 41.148 12.867 25.360 1.00 67.46 ? 343 THR A OG1 1 ATOM 19 C CG2 . THR A 1 2 ? 40.203 14.761 26.556 1.00 66.97 ? 343 THR A CG2 1 ATOM 20 N N . ARG A 1 3 ? 39.203 9.903 27.550 1.00 60.66 ? 344 ARG A N 1 ATOM 21 C CA . ARG A 1 3 ? 38.799 8.542 27.123 1.00 56.87 ? 344 ARG A CA 1 ATOM 22 C C . ARG A 1 3 ? 37.283 8.217 27.274 1.00 53.06 ? 344 ARG A C 1 ATOM 23 O O . ARG A 1 3 ? 36.674 8.492 28.305 1.00 53.05 ? 344 ARG A O 1 ATOM 24 C CB . ARG A 1 3 ? 39.677 7.519 27.865 1.00 57.71 ? 344 ARG A CB 1 ATOM 25 C CG . ARG A 1 3 ? 39.340 6.060 27.638 1.00 60.77 ? 344 ARG A CG 1 ATOM 26 C CD . ARG A 1 3 ? 39.980 5.192 28.710 1.00 65.98 ? 344 ARG A CD 1 ATOM 27 N NE . ARG A 1 3 ? 39.417 3.838 28.715 1.00 69.17 ? 344 ARG A NE 1 ATOM 28 C CZ . ARG A 1 3 ? 39.458 2.999 29.753 1.00 69.74 ? 344 ARG A CZ 1 ATOM 29 N NH1 . ARG A 1 3 ? 40.025 3.373 30.898 1.00 70.16 ? 344 ARG A NH1 1 ATOM 30 N NH2 . ARG A 1 3 ? 38.920 1.785 29.648 1.00 69.22 ? 344 ARG A NH2 1 ATOM 31 N N . VAL A 1 4 ? 36.685 7.625 26.243 1.00 48.15 ? 345 VAL A N 1 ATOM 32 C CA . VAL A 1 4 ? 35.236 7.334 26.218 1.00 43.22 ? 345 VAL A CA 1 ATOM 33 C C . VAL A 1 4 ? 35.000 5.807 26.231 1.00 40.88 ? 345 VAL A C 1 ATOM 34 O O . VAL A 1 4 ? 35.704 5.045 25.542 1.00 40.44 ? 345 VAL A O 1 ATOM 35 C CB . VAL A 1 4 ? 34.533 8.035 24.991 1.00 42.73 ? 345 VAL A CB 1 ATOM 36 C CG1 . VAL A 1 4 ? 33.156 7.476 24.695 1.00 41.54 ? 345 VAL A CG1 1 ATOM 37 C CG2 . VAL A 1 4 ? 34.451 9.513 25.200 1.00 41.79 ? 345 VAL A CG2 1 ATOM 38 N N . VAL A 1 5 ? 34.025 5.367 27.024 1.00 37.33 ? 346 VAL A N 1 ATOM 39 C CA . VAL A 1 5 ? 33.708 3.956 27.146 1.00 34.56 ? 346 VAL A CA 1 ATOM 40 C C . VAL A 1 5 ? 32.359 3.718 26.483 1.00 32.99 ? 346 VAL A C 1 ATOM 41 O O . VAL A 1 5 ? 31.347 4.197 26.984 1.00 33.12 ? 346 VAL A O 1 ATOM 42 C CB . VAL A 1 5 ? 33.673 3.515 28.638 1.00 34.61 ? 346 VAL A CB 1 ATOM 43 C CG1 . VAL A 1 5 ? 33.446 2.009 28.773 1.00 32.46 ? 346 VAL A CG1 1 ATOM 44 C CG2 . VAL A 1 5 ? 34.957 3.959 29.355 1.00 33.55 ? 346 VAL A CG2 1 ATOM 45 N N . TRP A 1 6 ? 32.355 2.984 25.373 1.00 30.54 ? 347 TRP A N 1 ATOM 46 C CA . TRP A 1 6 ? 31.137 2.681 24.632 1.00 29.41 ? 347 TRP A CA 1 ATOM 47 C C . TRP A 1 6 ? 30.412 1.448 25.163 1.00 28.73 ? 347 TRP A C 1 ATOM 48 O O . TRP A 1 6 ? 31.046 0.502 25.620 1.00 29.76 ? 347 TRP A O 1 ATOM 49 C CB . TRP A 1 6 ? 31.454 2.453 23.156 1.00 29.04 ? 347 TRP A CB 1 ATOM 50 C CG . TRP A 1 6 ? 30.305 2.807 22.244 1.00 28.55 ? 347 TRP A CG 1 ATOM 51 C CD1 . TRP A 1 6 ? 29.397 1.943 21.667 1.00 27.59 ? 347 TRP A CD1 1 ATOM 52 C CD2 . TRP A 1 6 ? 29.929 4.124 21.818 1.00 27.42 ? 347 TRP A CD2 1 ATOM 53 N NE1 . TRP A 1 6 ? 28.492 2.656 20.908 1.00 27.12 ? 347 TRP A NE1 1 ATOM 54 C CE2 . TRP A 1 6 ? 28.796 3.989 20.980 1.00 25.23 ? 347 TRP A CE2 1 ATOM 55 C CE3 . TRP A 1 6 ? 30.447 5.410 22.058 1.00 28.70 ? 347 TRP A CE3 1 ATOM 56 C CZ2 . TRP A 1 6 ? 28.184 5.077 20.366 1.00 27.50 ? 347 TRP A CZ2 1 ATOM 57 C CZ3 . TRP A 1 6 ? 29.810 6.521 21.452 1.00 27.75 ? 347 TRP A CZ3 1 ATOM 58 C CH2 . TRP A 1 6 ? 28.704 6.338 20.607 1.00 28.17 ? 347 TRP A CH2 1 ATOM 59 N N . CYS A 1 7 ? 29.085 1.428 25.098 1.00 27.10 ? 348 CYS A N 1 ATOM 60 C CA . CYS A 1 7 ? 28.374 0.231 25.519 1.00 26.03 ? 348 CYS A CA 1 ATOM 61 C C . CYS A 1 7 ? 27.859 -0.574 24.339 1.00 25.28 ? 348 CYS A C 1 ATOM 62 O O . CYS A 1 7 ? 27.020 -0.117 23.602 1.00 25.19 ? 348 CYS A O 1 ATOM 63 C CB . CYS A 1 7 ? 27.234 0.577 26.445 1.00 26.00 ? 348 CYS A CB 1 ATOM 64 S SG . CYS A 1 7 ? 26.824 -0.835 27.470 1.00 26.03 ? 348 CYS A SG 1 ATOM 65 N N . ALA A 1 8 ? 28.395 -1.768 24.163 1.00 25.09 ? 349 ALA A N 1 ATOM 66 C CA . ALA A 1 8 ? 28.015 -2.648 23.076 1.00 24.56 ? 349 ALA A CA 1 ATOM 67 C C . ALA A 1 8 ? 27.001 -3.633 23.593 1.00 24.33 ? 349 ALA A C 1 ATOM 68 O O . ALA A 1 8 ? 27.158 -4.142 24.698 1.00 23.54 ? 349 ALA A O 1 ATOM 69 C CB . ALA A 1 8 ? 29.208 -3.384 22.564 1.00 24.95 ? 349 ALA A CB 1 ATOM 70 N N . VAL A 1 9 ? 25.967 -3.878 22.775 1.00 24.58 ? 350 VAL A N 1 ATOM 71 C CA . VAL A 1 9 ? 24.887 -4.782 23.106 1.00 24.66 ? 350 VAL A CA 1 ATOM 72 C C . VAL A 1 9 ? 25.087 -6.136 22.447 1.00 25.56 ? 350 VAL A C 1 ATOM 73 O O . VAL A 1 9 ? 24.709 -6.326 21.298 1.00 25.55 ? 350 VAL A O 1 ATOM 74 C CB . VAL A 1 9 ? 23.521 -4.190 22.711 1.00 25.11 ? 350 VAL A CB 1 ATOM 75 C CG1 . VAL A 1 9 ? 22.366 -5.144 23.080 1.00 22.52 ? 350 VAL A CG1 1 ATOM 76 C CG2 . VAL A 1 9 ? 23.339 -2.815 23.369 1.00 23.74 ? 350 VAL A CG2 1 ATOM 77 N N . GLY A 1 10 ? 25.692 -7.068 23.192 1.00 26.53 ? 351 GLY A N 1 ATOM 78 C CA . GLY A 1 10 ? 25.826 -8.456 22.757 1.00 27.99 ? 351 GLY A CA 1 ATOM 79 C C . GLY A 1 10 ? 27.151 -8.688 22.064 1.00 29.30 ? 351 GLY A C 1 ATOM 80 O O . GLY A 1 10 ? 27.830 -7.724 21.725 1.00 29.78 ? 351 GLY A O 1 ATOM 81 N N . PRO A 1 11 ? 27.526 -9.965 21.847 1.00 29.91 ? 352 PRO A N 1 ATOM 82 C CA . PRO A 1 11 ? 28.819 -10.418 21.343 1.00 30.38 ? 352 PRO A CA 1 ATOM 83 C C . PRO A 1 11 ? 29.304 -9.826 20.016 1.00 31.09 ? 352 PRO A C 1 ATOM 84 O O . PRO A 1 11 ? 30.510 -9.602 19.855 1.00 31.33 ? 352 PRO A O 1 ATOM 85 C CB . PRO A 1 11 ? 28.634 -11.930 21.200 1.00 30.30 ? 352 PRO A CB 1 ATOM 86 C CG . PRO A 1 11 ? 27.183 -12.150 21.234 1.00 31.08 ? 352 PRO A CG 1 ATOM 87 C CD . PRO A 1 11 ? 26.648 -11.106 22.139 1.00 30.25 ? 352 PRO A CD 1 ATOM 88 N N . GLU A 1 12 ? 28.413 -9.567 19.072 1.00 31.72 ? 353 GLU A N 1 ATOM 89 C CA . GLU A 1 12 ? 28.869 -9.068 17.772 1.00 32.75 ? 353 GLU A CA 1 ATOM 90 C C . GLU A 1 12 ? 29.218 -7.580 17.827 1.00 31.65 ? 353 GLU A C 1 ATOM 91 O O . GLU A 1 12 ? 30.188 -7.128 17.208 1.00 31.93 ? 353 GLU A O 1 ATOM 92 C CB . GLU A 1 12 ? 27.828 -9.324 16.685 1.00 33.01 ? 353 GLU A CB 1 ATOM 93 C CG . GLU A 1 12 ? 27.378 -10.778 16.515 1.00 34.90 ? 353 GLU A CG 1 ATOM 94 C CD . GLU A 1 12 ? 26.450 -10.948 15.318 1.00 36.64 ? 353 GLU A CD 1 ATOM 95 O OE1 . GLU A 1 12 ? 25.430 -10.213 15.200 1.00 40.60 ? 353 GLU A OE1 1 ATOM 96 O OE2 . GLU A 1 12 ? 26.740 -11.832 14.472 1.00 44.93 ? 353 GLU A OE2 1 ATOM 97 N N . GLU A 1 13 ? 28.426 -6.817 18.562 1.00 30.85 ? 354 GLU A N 1 ATOM 98 C CA . GLU A 1 13 ? 28.714 -5.408 18.767 1.00 30.11 ? 354 GLU A CA 1 ATOM 99 C C . GLU A 1 13 ? 29.982 -5.242 19.623 1.00 30.45 ? 354 GLU A C 1 ATOM 100 O O . GLU A 1 13 ? 30.746 -4.279 19.440 1.00 30.27 ? 354 GLU A O 1 ATOM 101 C CB . GLU A 1 13 ? 27.525 -4.720 19.437 1.00 29.87 ? 354 GLU A CB 1 ATOM 102 C CG . GLU A 1 13 ? 26.342 -4.410 18.534 1.00 28.65 ? 354 GLU A CG 1 ATOM 103 C CD . GLU A 1 13 ? 25.571 -3.190 19.023 1.00 29.20 ? 354 GLU A CD 1 ATOM 104 O OE1 . GLU A 1 13 ? 25.798 -2.758 20.187 1.00 31.37 ? 354 GLU A OE1 1 ATOM 105 O OE2 . GLU A 1 13 ? 24.737 -2.662 18.261 1.00 25.27 ? 354 GLU A OE2 1 ATOM 106 N N . GLN A 1 14 ? 30.211 -6.170 20.556 1.00 30.10 ? 355 GLN A N 1 ATOM 107 C CA . GLN A 1 14 ? 31.464 -6.172 21.289 1.00 30.69 ? 355 GLN A CA 1 ATOM 108 C C . GLN A 1 14 ? 32.667 -6.347 20.355 1.00 30.26 ? 355 GLN A C 1 ATOM 109 O O . GLN A 1 14 ? 33.650 -5.629 20.470 1.00 29.77 ? 355 GLN A O 1 ATOM 110 C CB . GLN A 1 14 ? 31.481 -7.231 22.382 1.00 30.97 ? 355 GLN A CB 1 ATOM 111 C CG . GLN A 1 14 ? 32.646 -7.031 23.345 1.00 33.78 ? 355 GLN A CG 1 ATOM 112 C CD . GLN A 1 14 ? 33.023 -8.319 24.088 1.00 39.76 ? 355 GLN A CD 1 ATOM 113 O OE1 . GLN A 1 14 ? 32.242 -9.263 24.157 1.00 42.39 ? 355 GLN A OE1 1 ATOM 114 N NE2 . GLN A 1 14 ? 34.232 -8.356 24.645 1.00 43.00 ? 355 GLN A NE2 1 ATOM 115 N N . LYS A 1 15 ? 32.577 -7.292 19.425 1.00 30.52 ? 356 LYS A N 1 ATOM 116 C CA . LYS A 1 15 ? 33.639 -7.516 18.474 1.00 30.84 ? 356 LYS A CA 1 ATOM 117 C C . LYS A 1 15 ? 33.951 -6.240 17.667 1.00 30.40 ? 356 LYS A C 1 ATOM 118 O O . LYS A 1 15 ? 35.108 -5.831 17.568 1.00 30.19 ? 356 LYS A O 1 ATOM 119 C CB . LYS A 1 15 ? 33.317 -8.715 17.594 1.00 32.06 ? 356 LYS A CB 1 ATOM 120 C CG . LYS A 1 15 ? 34.487 -9.210 16.762 1.00 34.80 ? 356 LYS A CG 1 ATOM 121 C CD . LYS A 1 15 ? 33.973 -9.983 15.525 1.00 42.07 ? 356 LYS A CD 1 ATOM 122 C CE . LYS A 1 15 ? 35.093 -10.691 14.717 1.00 41.94 ? 356 LYS A CE 1 ATOM 123 N NZ . LYS A 1 15 ? 36.186 -11.227 15.648 1.00 47.84 ? 356 LYS A NZ 1 ATOM 124 N N . LYS A 1 16 ? 32.927 -5.586 17.127 1.00 30.24 ? 357 LYS A N 1 ATOM 125 C CA . LYS A 1 16 ? 33.131 -4.322 16.392 1.00 29.52 ? 357 LYS A CA 1 ATOM 126 C C . LYS A 1 16 ? 33.705 -3.233 17.291 1.00 30.18 ? 357 LYS A C 1 ATOM 127 O O . LYS A 1 16 ? 34.561 -2.481 16.881 1.00 30.37 ? 357 LYS A O 1 ATOM 128 C CB . LYS A 1 16 ? 31.821 -3.834 15.727 1.00 29.52 ? 357 LYS A CB 1 ATOM 129 C CG . LYS A 1 16 ? 31.987 -2.661 14.758 1.00 27.55 ? 357 LYS A CG 1 ATOM 130 C CD . LYS A 1 16 ? 30.688 -2.234 14.119 1.00 27.34 ? 357 LYS A CD 1 ATOM 131 C CE . LYS A 1 16 ? 30.848 -0.888 13.391 1.00 25.64 ? 357 LYS A CE 1 ATOM 132 N NZ . LYS A 1 16 ? 29.627 -0.457 12.561 1.00 26.88 ? 357 LYS A NZ 1 ATOM 133 N N . CYS A 1 17 ? 33.221 -3.142 18.517 1.00 30.80 ? 358 CYS A N 1 ATOM 134 C CA . CYS A 1 17 ? 33.675 -2.098 19.407 1.00 31.86 ? 358 CYS A CA 1 ATOM 135 C C . CYS A 1 17 ? 35.160 -2.272 19.682 1.00 33.00 ? 358 CYS A C 1 ATOM 136 O O . CYS A 1 17 ? 35.911 -1.294 19.678 1.00 33.22 ? 358 CYS A O 1 ATOM 137 C CB . CYS A 1 17 ? 32.863 -2.093 20.703 1.00 31.79 ? 358 CYS A CB 1 ATOM 138 S SG . CYS A 1 17 ? 33.294 -0.758 21.825 1.00 29.96 ? 358 CYS A SG 1 ATOM 139 N N . GLN A 1 18 ? 35.583 -3.513 19.902 1.00 34.18 ? 359 GLN A N 1 ATOM 140 C CA . GLN A 1 18 ? 36.979 -3.810 20.172 1.00 35.94 ? 359 GLN A CA 1 ATOM 141 C C . GLN A 1 18 ? 37.923 -3.408 19.041 1.00 36.65 ? 359 GLN A C 1 ATOM 142 O O . GLN A 1 18 ? 39.009 -2.881 19.296 1.00 36.83 ? 359 GLN A O 1 ATOM 143 C CB . GLN A 1 18 ? 37.136 -5.280 20.492 1.00 35.85 ? 359 GLN A CB 1 ATOM 144 C CG . GLN A 1 18 ? 36.997 -5.554 21.946 1.00 40.33 ? 359 GLN A CG 1 ATOM 145 C CD . GLN A 1 18 ? 36.754 -7.026 22.223 1.00 46.35 ? 359 GLN A CD 1 ATOM 146 O OE1 . GLN A 1 18 ? 36.038 -7.380 23.169 1.00 48.17 ? 359 GLN A OE1 1 ATOM 147 N NE2 . GLN A 1 18 ? 37.342 -7.898 21.395 1.00 48.08 ? 359 GLN A NE2 1 ATOM 148 N N . GLN A 1 19 ? 37.514 -3.666 17.799 1.00 37.24 ? 360 GLN A N 1 ATOM 149 C CA . GLN A 1 19 ? 38.281 -3.248 16.644 1.00 38.65 ? 360 GLN A CA 1 ATOM 150 C C . GLN A 1 19 ? 38.477 -1.740 16.621 1.00 38.53 ? 360 GLN A C 1 ATOM 151 O O . GLN A 1 19 ? 39.579 -1.226 16.325 1.00 38.82 ? 360 GLN A O 1 ATOM 152 C CB . GLN A 1 19 ? 37.547 -3.625 15.385 1.00 38.90 ? 360 GLN A CB 1 ATOM 153 C CG . GLN A 1 19 ? 37.565 -5.085 15.103 1.00 44.64 ? 360 GLN A CG 1 ATOM 154 C CD . GLN A 1 19 ? 36.982 -5.382 13.734 1.00 51.63 ? 360 GLN A CD 1 ATOM 155 O OE1 . GLN A 1 19 ? 36.982 -4.505 12.834 1.00 55.61 ? 360 GLN A OE1 1 ATOM 156 N NE2 . GLN A 1 19 ? 36.479 -6.617 13.562 1.00 52.94 ? 360 GLN A NE2 1 ATOM 157 N N . TRP A 1 20 ? 37.371 -1.057 16.900 1.00 37.84 ? 361 TRP A N 1 ATOM 158 C CA . TRP A 1 20 ? 37.295 0.373 16.987 1.00 37.06 ? 361 TRP A CA 1 ATOM 159 C C . TRP A 1 20 ? 38.203 0.829 18.099 1.00 37.45 ? 361 TRP A C 1 ATOM 160 O O . TRP A 1 20 ? 38.938 1.789 17.938 1.00 37.90 ? 361 TRP A O 1 ATOM 161 C CB . TRP A 1 20 ? 35.840 0.798 17.261 1.00 35.79 ? 361 TRP A CB 1 ATOM 162 C CG . TRP A 1 20 ? 35.640 2.279 17.318 1.00 34.07 ? 361 TRP A CG 1 ATOM 163 C CD1 . TRP A 1 20 ? 36.496 3.247 16.841 1.00 33.33 ? 361 TRP A CD1 1 ATOM 164 C CD2 . TRP A 1 20 ? 34.511 2.974 17.849 1.00 32.31 ? 361 TRP A CD2 1 ATOM 165 N NE1 . TRP A 1 20 ? 35.977 4.495 17.066 1.00 33.32 ? 361 TRP A NE1 1 ATOM 166 C CE2 . TRP A 1 20 ? 34.756 4.366 17.676 1.00 33.11 ? 361 TRP A CE2 1 ATOM 167 C CE3 . TRP A 1 20 ? 33.321 2.568 18.461 1.00 31.26 ? 361 TRP A CE3 1 ATOM 168 C CZ2 . TRP A 1 20 ? 33.854 5.356 18.109 1.00 33.30 ? 361 TRP A CZ2 1 ATOM 169 C CZ3 . TRP A 1 20 ? 32.409 3.558 18.887 1.00 33.67 ? 361 TRP A CZ3 1 ATOM 170 C CH2 . TRP A 1 20 ? 32.695 4.938 18.716 1.00 33.90 ? 361 TRP A CH2 1 ATOM 171 N N . SER A 1 21 ? 38.152 0.134 19.227 1.00 38.14 ? 362 SER A N 1 ATOM 172 C CA . SER A 1 21 ? 38.973 0.480 20.390 1.00 38.91 ? 362 SER A CA 1 ATOM 173 C C . SER A 1 21 ? 40.448 0.460 20.023 1.00 39.92 ? 362 SER A C 1 ATOM 174 O O . SER A 1 21 ? 41.192 1.398 20.303 1.00 40.15 ? 362 SER A O 1 ATOM 175 C CB . SER A 1 21 ? 38.711 -0.499 21.528 1.00 38.29 ? 362 SER A CB 1 ATOM 176 O OG . SER A 1 21 ? 39.264 -0.006 22.718 1.00 36.58 ? 362 SER A OG 1 ATOM 177 N N . GLN A 1 22 ? 40.831 -0.622 19.361 1.00 41.25 ? 363 GLN A N 1 ATOM 178 C CA . GLN A 1 22 ? 42.178 -0.879 18.900 1.00 42.75 ? 363 GLN A CA 1 ATOM 179 C C . GLN A 1 22 ? 42.688 0.188 17.935 1.00 42.39 ? 363 GLN A C 1 ATOM 180 O O . GLN A 1 22 ? 43.745 0.760 18.157 1.00 42.27 ? 363 GLN A O 1 ATOM 181 C CB . GLN A 1 22 ? 42.170 -2.245 18.238 1.00 43.57 ? 363 GLN A CB 1 ATOM 182 C CG . GLN A 1 22 ? 43.507 -2.770 17.828 1.00 48.20 ? 363 GLN A CG 1 ATOM 183 C CD . GLN A 1 22 ? 43.470 -4.277 17.682 1.00 54.35 ? 363 GLN A CD 1 ATOM 184 O OE1 . GLN A 1 22 ? 42.475 -4.928 18.048 1.00 56.01 ? 363 GLN A OE1 1 ATOM 185 N NE2 . GLN A 1 22 ? 44.556 -4.849 17.148 1.00 56.69 ? 363 GLN A NE2 1 ATOM 186 N N . GLN A 1 23 ? 41.910 0.455 16.885 1.00 42.71 ? 364 GLN A N 1 ATOM 187 C CA . GLN A 1 23 ? 42.223 1.453 15.853 1.00 43.08 ? 364 GLN A CA 1 ATOM 188 C C . GLN A 1 23 ? 42.191 2.887 16.365 1.00 43.15 ? 364 GLN A C 1 ATOM 189 O O . GLN A 1 23 ? 42.639 3.800 15.678 1.00 43.45 ? 364 GLN A O 1 ATOM 190 C CB . GLN A 1 23 ? 41.254 1.321 14.663 1.00 43.29 ? 364 GLN A CB 1 ATOM 191 C CG . GLN A 1 23 ? 41.415 0.037 13.879 1.00 45.17 ? 364 GLN A CG 1 ATOM 192 C CD . GLN A 1 23 ? 42.747 -0.007 13.151 1.00 47.86 ? 364 GLN A CD 1 ATOM 193 O OE1 . GLN A 1 23 ? 42.943 0.701 12.169 1.00 51.25 ? 364 GLN A OE1 1 ATOM 194 N NE2 . GLN A 1 23 ? 43.675 -0.808 13.646 1.00 47.23 ? 364 GLN A NE2 1 ATOM 195 N N . SER A 1 24 ? 41.640 3.094 17.552 1.00 43.54 ? 365 SER A N 1 ATOM 196 C CA . SER A 1 24 ? 41.554 4.429 18.129 1.00 43.93 ? 365 SER A CA 1 ATOM 197 C C . SER A 1 24 ? 42.667 4.646 19.156 1.00 44.40 ? 365 SER A C 1 ATOM 198 O O . SER A 1 24 ? 42.782 5.732 19.731 1.00 44.56 ? 365 SER A O 1 ATOM 199 C CB . SER A 1 24 ? 40.200 4.625 18.790 1.00 43.81 ? 365 SER A CB 1 ATOM 200 O OG . SER A 1 24 ? 40.018 3.662 19.823 1.00 44.09 ? 365 SER A OG 1 ATOM 201 N N . GLY A 1 25 ? 43.472 3.606 19.390 1.00 44.77 ? 366 GLY A N 1 ATOM 202 C CA . GLY A 1 25 ? 44.570 3.673 20.356 1.00 45.05 ? 366 GLY A CA 1 ATOM 203 C C . GLY A 1 25 ? 44.019 3.907 21.743 1.00 45.19 ? 366 GLY A C 1 ATOM 204 O O . GLY A 1 25 ? 44.509 4.761 22.496 1.00 45.49 ? 366 GLY A O 1 ATOM 205 N N . GLN A 1 26 ? 42.976 3.142 22.062 1.00 45.24 ? 367 GLN A N 1 ATOM 206 C CA . GLN A 1 26 ? 42.229 3.244 23.325 1.00 44.51 ? 367 GLN A CA 1 ATOM 207 C C . GLN A 1 26 ? 41.728 4.646 23.608 1.00 43.23 ? 367 GLN A C 1 ATOM 208 O O . GLN A 1 26 ? 41.598 5.020 24.770 1.00 43.72 ? 367 GLN A O 1 ATOM 209 C CB . GLN A 1 26 ? 43.048 2.743 24.523 1.00 45.04 ? 367 GLN A CB 1 ATOM 210 C CG . GLN A 1 26 ? 43.984 1.565 24.248 1.00 48.38 ? 367 GLN A CG 1 ATOM 211 C CD . GLN A 1 26 ? 43.250 0.251 24.246 1.00 53.47 ? 367 GLN A CD 1 ATOM 212 O OE1 . GLN A 1 26 ? 42.279 0.065 23.506 1.00 56.40 ? 367 GLN A OE1 1 ATOM 213 N NE2 . GLN A 1 26 ? 43.696 -0.673 25.085 1.00 55.32 ? 367 GLN A NE2 1 ATOM 214 N N . ASN A 1 27 ? 41.441 5.433 22.574 1.00 41.83 ? 368 ASN A N 1 ATOM 215 C CA . ASN A 1 27 ? 40.643 6.663 22.792 1.00 40.84 ? 368 ASN A CA 1 ATOM 216 C C . ASN A 1 27 ? 39.165 6.304 23.099 1.00 39.13 ? 368 ASN A C 1 ATOM 217 O O . ASN A 1 27 ? 38.478 7.036 23.803 1.00 38.24 ? 368 ASN A O 1 ATOM 218 C CB . ASN A 1 27 ? 40.756 7.648 21.615 1.00 41.57 ? 368 ASN A CB 1 ATOM 219 C CG . ASN A 1 27 ? 41.974 8.613 21.734 1.00 45.69 ? 368 ASN A CG 1 ATOM 220 O OD1 . ASN A 1 27 ? 42.968 8.333 22.433 1.00 49.43 ? 368 ASN A OD1 1 ATOM 221 N ND2 . ASN A 1 27 ? 41.888 9.761 21.040 1.00 47.30 ? 368 ASN A ND2 1 ATOM 222 N N . VAL A 1 28 ? 38.701 5.167 22.557 1.00 37.13 ? 369 VAL A N 1 ATOM 223 C CA . VAL A 1 28 ? 37.434 4.554 22.937 1.00 35.00 ? 369 VAL A CA 1 ATOM 224 C C . VAL A 1 28 ? 37.722 3.157 23.405 1.00 34.11 ? 369 VAL A C 1 ATOM 225 O O . VAL A 1 28 ? 38.468 2.433 22.757 1.00 33.53 ? 369 VAL A O 1 ATOM 226 C CB . VAL A 1 28 ? 36.396 4.530 21.751 1.00 35.28 ? 369 VAL A CB 1 ATOM 227 C CG1 . VAL A 1 28 ? 35.389 3.384 21.877 1.00 33.30 ? 369 VAL A CG1 1 ATOM 228 C CG2 . VAL A 1 28 ? 35.670 5.870 21.648 1.00 33.74 ? 369 VAL A CG2 1 ATOM 229 N N . THR A 1 29 ? 37.140 2.791 24.544 1.00 33.40 ? 370 THR A N 1 ATOM 230 C CA . THR A 1 29 ? 37.156 1.404 25.014 1.00 32.78 ? 370 THR A CA 1 ATOM 231 C C . THR A 1 29 ? 35.724 0.943 25.160 1.00 32.40 ? 370 THR A C 1 ATOM 232 O O . THR A 1 29 ? 34.795 1.731 25.022 1.00 32.18 ? 370 THR A O 1 ATOM 233 C CB . THR A 1 29 ? 37.894 1.240 26.348 1.00 32.16 ? 370 THR A CB 1 ATOM 234 O OG1 . THR A 1 29 ? 37.494 2.297 27.211 1.00 35.42 ? 370 THR A OG1 1 ATOM 235 C CG2 . THR A 1 29 ? 39.357 1.376 26.158 1.00 31.91 ? 370 THR A CG2 1 ATOM 236 N N . CYS A 1 30 ? 35.546 -0.340 25.465 1.00 32.57 ? 371 CYS A N 1 ATOM 237 C CA . CYS A 1 30 ? 34.242 -1.001 25.339 1.00 31.73 ? 371 CYS A CA 1 ATOM 238 C C . CYS A 1 30 ? 33.784 -1.617 26.620 1.00 31.98 ? 371 CYS A C 1 ATOM 239 O O . CYS A 1 30 ? 34.592 -2.111 27.407 1.00 33.03 ? 371 CYS A O 1 ATOM 240 C CB . CYS A 1 30 ? 34.329 -2.109 24.304 1.00 31.17 ? 371 CYS A CB 1 ATOM 241 S SG . CYS A 1 30 ? 34.936 -1.493 22.775 1.00 30.08 ? 371 CYS A SG 1 ATOM 242 N N . ALA A 1 31 ? 32.472 -1.597 26.810 1.00 31.31 ? 372 ALA A N 1 ATOM 243 C CA . ALA A 1 31 ? 31.807 -2.310 27.873 1.00 30.10 ? 372 ALA A CA 1 ATOM 244 C C . ALA A 1 31 ? 30.734 -3.130 27.140 1.00 29.74 ? 372 ALA A C 1 ATOM 245 O O . ALA A 1 31 ? 30.299 -2.715 26.052 1.00 29.75 ? 372 ALA A O 1 ATOM 246 C CB . ALA A 1 31 ? 31.184 -1.306 28.843 1.00 29.95 ? 372 ALA A CB 1 ATOM 247 N N . THR A 1 32 ? 30.311 -4.264 27.707 1.00 29.00 ? 373 THR A N 1 ATOM 248 C CA . THR A 1 32 ? 29.299 -5.113 27.079 1.00 28.97 ? 373 THR A CA 1 ATOM 249 C C . THR A 1 32 ? 28.151 -5.454 28.040 1.00 28.84 ? 373 THR A C 1 ATOM 250 O O . THR A 1 32 ? 28.368 -5.646 29.250 1.00 29.02 ? 373 THR A O 1 ATOM 251 C CB . THR A 1 32 ? 29.910 -6.396 26.516 1.00 29.05 ? 373 THR A CB 1 ATOM 252 O OG1 . THR A 1 32 ? 31.182 -6.085 25.951 1.00 30.85 ? 373 THR A OG1 1 ATOM 253 C CG2 . THR A 1 32 ? 29.028 -7.007 25.405 1.00 29.40 ? 373 THR A CG2 1 ATOM 254 N N . ALA A 1 33 ? 26.932 -5.474 27.498 1.00 27.68 ? 374 ALA A N 1 ATOM 255 C CA . ALA A 1 33 ? 25.772 -5.943 28.214 1.00 27.36 ? 374 ALA A CA 1 ATOM 256 C C . ALA A 1 33 ? 24.915 -6.800 27.241 1.00 27.65 ? 374 ALA A C 1 ATOM 257 O O . ALA A 1 33 ? 25.069 -6.701 25.998 1.00 27.39 ? 374 ALA A O 1 ATOM 258 C CB . ALA A 1 33 ? 24.996 -4.757 28.746 1.00 27.42 ? 374 ALA A CB 1 ATOM 259 N N . SER A 1 34 ? 24.025 -7.634 27.789 1.00 26.87 ? 375 SER A N 1 ATOM 260 C CA . SER A 1 34 ? 23.139 -8.466 26.955 1.00 27.18 ? 375 SER A CA 1 ATOM 261 C C . SER A 1 34 ? 21.940 -7.726 26.387 1.00 27.10 ? 375 SER A C 1 ATOM 262 O O . SER A 1 34 ? 21.271 -8.254 25.486 1.00 27.51 ? 375 SER A O 1 ATOM 263 C CB . SER A 1 34 ? 22.588 -9.671 27.724 1.00 26.84 ? 375 SER A CB 1 ATOM 264 O OG . SER A 1 34 ? 23.630 -10.561 28.063 1.00 29.39 ? 375 SER A OG 1 ATOM 265 N N . THR A 1 35 ? 21.612 -6.556 26.942 1.00 26.04 ? 376 THR A N 1 ATOM 266 C CA . THR A 1 35 ? 20.482 -5.796 26.436 1.00 25.49 ? 376 THR A CA 1 ATOM 267 C C . THR A 1 35 ? 20.711 -4.306 26.522 1.00 24.85 ? 376 THR A C 1 ATOM 268 O O . THR A 1 35 ? 21.566 -3.837 27.276 1.00 25.50 ? 376 THR A O 1 ATOM 269 C CB . THR A 1 35 ? 19.193 -6.143 27.171 1.00 25.32 ? 376 THR A CB 1 ATOM 270 O OG1 . THR A 1 35 ? 19.333 -5.771 28.541 1.00 28.38 ? 376 THR A OG1 1 ATOM 271 C CG2 . THR A 1 35 ? 18.912 -7.617 27.085 1.00 24.17 ? 376 THR A CG2 1 ATOM 272 N N . THR A 1 36 ? 19.926 -3.570 25.754 1.00 24.00 ? 377 THR A N 1 ATOM 273 C CA . THR A 1 36 ? 19.994 -2.124 25.728 1.00 24.03 ? 377 THR A CA 1 ATOM 274 C C . THR A 1 36 ? 19.691 -1.509 27.073 1.00 24.04 ? 377 THR A C 1 ATOM 275 O O . THR A 1 36 ? 20.379 -0.588 27.465 1.00 24.43 ? 377 THR A O 1 ATOM 276 C CB . THR A 1 36 ? 19.062 -1.526 24.646 1.00 23.89 ? 377 THR A CB 1 ATOM 277 O OG1 . THR A 1 36 ? 19.327 -2.170 23.406 1.00 23.95 ? 377 THR A OG1 1 ATOM 278 C CG2 . THR A 1 36 ? 19.326 -0.061 24.450 1.00 23.17 ? 377 THR A CG2 1 ATOM 279 N N . ASP A 1 37 ? 18.692 -2.026 27.787 1.00 24.62 ? 378 ASP A N 1 ATOM 280 C CA . ASP A 1 37 ? 18.440 -1.622 29.183 1.00 25.08 ? 378 ASP A CA 1 ATOM 281 C C . ASP A 1 37 ? 19.671 -1.795 30.066 1.00 25.43 ? 378 ASP A C 1 ATOM 282 O O . ASP A 1 37 ? 20.005 -0.899 30.840 1.00 25.99 ? 378 ASP A O 1 ATOM 283 C CB . ASP A 1 37 ? 17.263 -2.376 29.780 1.00 24.88 ? 378 ASP A CB 1 ATOM 284 C CG . ASP A 1 37 ? 15.965 -2.020 29.116 1.00 26.85 ? 378 ASP A CG 1 ATOM 285 O OD1 . ASP A 1 37 ? 15.868 -0.952 28.476 1.00 30.36 ? 378 ASP A OD1 1 ATOM 286 O OD2 . ASP A 1 37 ? 15.022 -2.813 29.209 1.00 29.78 ? 378 ASP A OD2 1 ATOM 287 N N . ASP A 1 38 ? 20.352 -2.932 29.950 1.00 25.15 ? 379 ASP A N 1 ATOM 288 C CA . ASP A 1 38 ? 21.540 -3.132 30.748 1.00 25.72 ? 379 ASP A CA 1 ATOM 289 C C . ASP A 1 38 ? 22.603 -2.069 30.447 1.00 25.54 ? 379 ASP A C 1 ATOM 290 O O . ASP A 1 38 ? 23.229 -1.525 31.355 1.00 25.48 ? 379 ASP A O 1 ATOM 291 C CB . ASP A 1 38 ? 22.076 -4.553 30.566 1.00 26.11 ? 379 ASP A CB 1 ATOM 292 C CG . ASP A 1 38 ? 21.226 -5.584 31.292 1.00 27.21 ? 379 ASP A CG 1 ATOM 293 O OD1 . ASP A 1 38 ? 20.583 -5.200 32.288 1.00 27.86 ? 379 ASP A OD1 1 ATOM 294 O OD2 . ASP A 1 38 ? 21.164 -6.762 30.861 1.00 28.11 ? 379 ASP A OD2 1 ATOM 295 N N . CYS A 1 39 ? 22.800 -1.773 29.173 1.00 25.48 ? 380 CYS A N 1 ATOM 296 C CA . CYS A 1 39 ? 23.683 -0.696 28.785 1.00 25.31 ? 380 CYS A CA 1 ATOM 297 C C . CYS A 1 39 ? 23.221 0.676 29.306 1.00 25.35 ? 380 CYS A C 1 ATOM 298 O O . CYS A 1 39 ? 24.054 1.485 29.671 1.00 25.53 ? 380 CYS A O 1 ATOM 299 C CB . CYS A 1 39 ? 23.801 -0.651 27.270 1.00 25.35 ? 380 CYS A CB 1 ATOM 300 S SG . CYS A 1 39 ? 25.144 -1.604 26.642 1.00 24.05 ? 380 CYS A SG 1 ATOM 301 N N . ILE A 1 40 ? 21.916 0.941 29.326 1.00 24.99 ? 381 ILE A N 1 ATOM 302 C CA . ILE A 1 40 ? 21.421 2.162 29.944 1.00 25.54 ? 381 ILE A CA 1 ATOM 303 C C . ILE A 1 40 ? 21.861 2.218 31.414 1.00 25.40 ? 381 ILE A C 1 ATOM 304 O O . ILE A 1 40 ? 22.494 3.202 31.819 1.00 26.27 ? 381 ILE A O 1 ATOM 305 C CB . ILE A 1 40 ? 19.881 2.346 29.776 1.00 26.04 ? 381 ILE A CB 1 ATOM 306 C CG1 . ILE A 1 40 ? 19.572 2.921 28.386 1.00 26.66 ? 381 ILE A CG1 1 ATOM 307 C CG2 . ILE A 1 40 ? 19.309 3.300 30.851 1.00 26.51 ? 381 ILE A CG2 1 ATOM 308 C CD1 . ILE A 1 40 ? 18.235 2.517 27.843 1.00 27.57 ? 381 ILE A CD1 1 ATOM 309 N N . VAL A 1 41 ? 21.539 1.180 32.193 1.00 24.16 ? 382 VAL A N 1 ATOM 310 C CA . VAL A 1 41 ? 22.038 1.038 33.565 1.00 23.56 ? 382 VAL A CA 1 ATOM 311 C C . VAL A 1 41 ? 23.558 1.284 33.677 1.00 23.61 ? 382 VAL A C 1 ATOM 312 O O . VAL A 1 41 ? 23.980 2.056 34.544 1.00 23.76 ? 382 VAL A O 1 ATOM 313 C CB . VAL A 1 41 ? 21.673 -0.348 34.206 1.00 23.28 ? 382 VAL A CB 1 ATOM 314 C CG1 . VAL A 1 41 ? 22.271 -0.479 35.596 1.00 22.20 ? 382 VAL A CG1 1 ATOM 315 C CG2 . VAL A 1 41 ? 20.175 -0.544 34.271 1.00 22.64 ? 382 VAL A CG2 1 ATOM 316 N N . LEU A 1 42 ? 24.374 0.652 32.819 1.00 23.03 ? 383 LEU A N 1 ATOM 317 C CA . LEU A 1 42 ? 25.837 0.856 32.894 1.00 22.72 ? 383 LEU A CA 1 ATOM 318 C C . LEU A 1 42 ? 26.205 2.345 32.768 1.00 22.55 ? 383 LEU A C 1 ATOM 319 O O . LEU A 1 42 ? 27.144 2.816 33.428 1.00 22.28 ? 383 LEU A O 1 ATOM 320 C CB . LEU A 1 42 ? 26.642 0.001 31.887 1.00 22.11 ? 383 LEU A CB 1 ATOM 321 C CG . LEU A 1 42 ? 26.802 -1.530 32.058 1.00 21.73 ? 383 LEU A CG 1 ATOM 322 C CD1 . LEU A 1 42 ? 27.598 -2.151 30.924 1.00 20.32 ? 383 LEU A CD1 1 ATOM 323 C CD2 . LEU A 1 42 ? 27.427 -1.929 33.360 1.00 22.56 ? 383 LEU A CD2 1 ATOM 324 N N . VAL A 1 43 ? 25.459 3.075 31.937 1.00 22.13 ? 384 VAL A N 1 ATOM 325 C CA . VAL A 1 43 ? 25.724 4.489 31.728 1.00 22.18 ? 384 VAL A CA 1 ATOM 326 C C . VAL A 1 43 ? 25.372 5.299 33.005 1.00 23.51 ? 384 VAL A C 1 ATOM 327 O O . VAL A 1 43 ? 26.165 6.112 33.455 1.00 23.98 ? 384 VAL A O 1 ATOM 328 C CB . VAL A 1 43 ? 25.005 5.035 30.474 1.00 21.99 ? 384 VAL A CB 1 ATOM 329 C CG1 . VAL A 1 43 ? 25.149 6.581 30.385 1.00 21.40 ? 384 VAL A CG1 1 ATOM 330 C CG2 . VAL A 1 43 ? 25.523 4.352 29.199 1.00 19.66 ? 384 VAL A CG2 1 ATOM 331 N N . LEU A 1 44 ? 24.195 5.055 33.587 1.00 24.03 ? 385 LEU A N 1 ATOM 332 C CA . LEU A 1 44 ? 23.784 5.636 34.872 1.00 23.93 ? 385 LEU A CA 1 ATOM 333 C C . LEU A 1 44 ? 24.815 5.464 36.001 1.00 24.19 ? 385 LEU A C 1 ATOM 334 O O . LEU A 1 44 ? 25.065 6.389 36.788 1.00 23.49 ? 385 LEU A O 1 ATOM 335 C CB . LEU A 1 44 ? 22.468 4.998 35.303 1.00 23.54 ? 385 LEU A CB 1 ATOM 336 C CG . LEU A 1 44 ? 21.258 5.442 34.485 1.00 25.08 ? 385 LEU A CG 1 ATOM 337 C CD1 . LEU A 1 44 ? 19.996 4.642 34.837 1.00 23.55 ? 385 LEU A CD1 1 ATOM 338 C CD2 . LEU A 1 44 ? 21.047 6.938 34.724 1.00 26.54 ? 385 LEU A CD2 1 ATOM 339 N N . LYS A 1 45 ? 25.402 4.268 36.079 1.00 24.45 ? 386 LYS A N 1 ATOM 340 C CA . LYS A 1 45 ? 26.343 3.951 37.138 1.00 24.46 ? 386 LYS A CA 1 ATOM 341 C C . LYS A 1 45 ? 27.671 4.635 36.872 1.00 25.36 ? 386 LYS A C 1 ATOM 342 O O . LYS A 1 45 ? 28.456 4.809 37.794 1.00 25.84 ? 386 LYS A O 1 ATOM 343 C CB . LYS A 1 45 ? 26.516 2.438 37.271 1.00 24.43 ? 386 LYS A CB 1 ATOM 344 C CG . LYS A 1 45 ? 25.235 1.730 37.761 1.00 24.79 ? 386 LYS A CG 1 ATOM 345 C CD . LYS A 1 45 ? 25.534 0.362 38.296 1.00 25.64 ? 386 LYS A CD 1 ATOM 346 C CE . LYS A 1 45 ? 26.205 -0.461 37.239 1.00 28.67 ? 386 LYS A CE 1 ATOM 347 N NZ . LYS A 1 45 ? 26.102 -1.920 37.477 1.00 30.58 ? 386 LYS A NZ 1 ATOM 348 N N . GLY A 1 46 ? 27.900 5.054 35.615 1.00 25.54 ? 387 GLY A N 1 ATOM 349 C CA . GLY A 1 46 ? 29.132 5.717 35.209 1.00 24.90 ? 387 GLY A CA 1 ATOM 350 C C . GLY A 1 46 ? 30.154 4.714 34.724 1.00 25.70 ? 387 GLY A C 1 ATOM 351 O O . GLY A 1 46 ? 31.328 5.063 34.506 1.00 25.78 ? 387 GLY A O 1 ATOM 352 N N . GLU A 1 47 ? 29.732 3.457 34.554 1.00 26.09 ? 388 GLU A N 1 ATOM 353 C CA . GLU A 1 47 ? 30.655 2.393 34.082 1.00 26.91 ? 388 GLU A CA 1 ATOM 354 C C . GLU A 1 47 ? 30.805 2.438 32.538 1.00 26.17 ? 388 GLU A C 1 ATOM 355 O O . GLU A 1 47 ? 31.775 1.914 31.983 1.00 26.36 ? 388 GLU A O 1 ATOM 356 C CB . GLU A 1 47 ? 30.252 1.001 34.618 1.00 25.75 ? 388 GLU A CB 1 ATOM 357 C CG . GLU A 1 47 ? 30.314 0.943 36.124 1.00 27.76 ? 388 GLU A CG 1 ATOM 358 C CD . GLU A 1 47 ? 29.731 -0.331 36.753 1.00 29.77 ? 388 GLU A CD 1 ATOM 359 O OE1 . GLU A 1 47 ? 29.535 -0.316 37.985 1.00 32.46 ? 388 GLU A OE1 1 ATOM 360 O OE2 . GLU A 1 47 ? 29.451 -1.342 36.054 1.00 33.59 ? 388 GLU A OE2 1 ATOM 361 N N . ALA A 1 48 ? 29.848 3.067 31.864 1.00 25.02 ? 389 ALA A N 1 ATOM 362 C CA . ALA A 1 48 ? 29.979 3.356 30.440 1.00 25.14 ? 389 ALA A CA 1 ATOM 363 C C . ALA A 1 48 ? 29.593 4.830 30.229 1.00 24.84 ? 389 ALA A C 1 ATOM 364 O O . ALA A 1 48 ? 28.921 5.422 31.087 1.00 23.65 ? 389 ALA A O 1 ATOM 365 C CB . ALA A 1 48 ? 29.085 2.384 29.577 1.00 24.46 ? 389 ALA A CB 1 ATOM 366 N N . ASP A 1 49 ? 30.028 5.403 29.102 1.00 25.01 ? 390 ASP A N 1 ATOM 367 C CA . ASP A 1 49 ? 29.745 6.805 28.755 1.00 25.33 ? 390 ASP A CA 1 ATOM 368 C C . ASP A 1 49 ? 28.573 6.990 27.792 1.00 25.76 ? 390 ASP A C 1 ATOM 369 O O . ASP A 1 49 ? 27.798 7.921 27.981 1.00 26.92 ? 390 ASP A O 1 ATOM 370 C CB . ASP A 1 49 ? 30.970 7.488 28.142 1.00 25.00 ? 390 ASP A CB 1 ATOM 371 C CG . ASP A 1 49 ? 32.106 7.619 29.120 1.00 26.31 ? 390 ASP A CG 1 ATOM 372 O OD1 . ASP A 1 49 ? 31.882 8.127 30.235 1.00 30.76 ? 390 ASP A OD1 1 ATOM 373 O OD2 . ASP A 1 49 ? 33.222 7.194 28.801 1.00 26.86 ? 390 ASP A OD2 1 ATOM 374 N N . ALA A 1 50 ? 28.464 6.159 26.743 1.00 24.97 ? 391 ALA A N 1 ATOM 375 C CA . ALA A 1 50 ? 27.482 6.392 25.671 1.00 24.02 ? 391 ALA A CA 1 ATOM 376 C C . ALA A 1 50 ? 27.138 5.120 24.933 1.00 23.84 ? 391 ALA A C 1 ATOM 377 O O . ALA A 1 50 ? 27.881 4.142 25.025 1.00 24.34 ? 391 ALA A O 1 ATOM 378 C CB . ALA A 1 50 ? 27.993 7.410 24.696 1.00 23.47 ? 391 ALA A CB 1 ATOM 379 N N . LEU A 1 51 ? 25.995 5.143 24.243 1.00 23.45 ? 392 LEU A N 1 ATOM 380 C CA . LEU A 1 51 ? 25.610 4.205 23.162 1.00 23.32 ? 392 LEU A CA 1 ATOM 381 C C . LEU A 1 51 ? 24.613 4.898 22.228 1.00 23.48 ? 392 LEU A C 1 ATOM 382 O O . LEU A 1 51 ? 24.050 5.959 22.572 1.00 23.66 ? 392 LEU A O 1 ATOM 383 C CB . LEU A 1 51 ? 25.014 2.897 23.703 1.00 22.81 ? 392 LEU A CB 1 ATOM 384 C CG . LEU A 1 51 ? 23.668 2.949 24.443 1.00 23.20 ? 392 LEU A CG 1 ATOM 385 C CD1 . LEU A 1 51 ? 23.023 1.557 24.524 1.00 21.85 ? 392 LEU A CD1 1 ATOM 386 C CD2 . LEU A 1 51 ? 23.762 3.618 25.835 1.00 21.11 ? 392 LEU A CD2 1 ATOM 387 N N . ASN A 1 52 ? 24.404 4.312 21.046 1.00 23.94 ? 393 ASN A N 1 ATOM 388 C CA . ASN A 1 52 ? 23.499 4.871 20.021 1.00 24.03 ? 393 ASN A CA 1 ATOM 389 C C . ASN A 1 52 ? 22.183 4.183 20.251 1.00 23.58 ? 393 ASN A C 1 ATOM 390 O O . ASN A 1 52 ? 22.177 2.997 20.454 1.00 24.39 ? 393 ASN A O 1 ATOM 391 C CB . ASN A 1 52 ? 24.068 4.556 18.639 1.00 24.46 ? 393 ASN A CB 1 ATOM 392 C CG . ASN A 1 52 ? 23.280 5.176 17.484 1.00 24.85 ? 393 ASN A CG 1 ATOM 393 O OD1 . ASN A 1 52 ? 22.839 6.319 17.532 1.00 26.65 ? 393 ASN A OD1 1 ATOM 394 N ND2 . ASN A 1 52 ? 23.135 4.411 16.421 1.00 25.47 ? 393 ASN A ND2 1 ATOM 395 N N . LEU A 1 53 ? 21.073 4.907 20.259 1.00 23.31 ? 394 LEU A N 1 ATOM 396 C CA . LEU A 1 53 ? 19.792 4.317 20.686 1.00 23.11 ? 394 LEU A CA 1 ATOM 397 C C . LEU A 1 53 ? 18.636 4.637 19.743 1.00 23.26 ? 394 LEU A C 1 ATOM 398 O O . LEU A 1 53 ? 18.591 5.712 19.170 1.00 24.28 ? 394 LEU A O 1 ATOM 399 C CB . LEU A 1 53 ? 19.409 4.848 22.071 1.00 23.06 ? 394 LEU A CB 1 ATOM 400 C CG . LEU A 1 53 ? 20.057 4.280 23.333 1.00 22.19 ? 394 LEU A CG 1 ATOM 401 C CD1 . LEU A 1 53 ? 19.489 4.979 24.543 1.00 19.91 ? 394 LEU A CD1 1 ATOM 402 C CD2 . LEU A 1 53 ? 19.824 2.792 23.423 1.00 21.03 ? 394 LEU A CD2 1 ATOM 403 N N . ASP A 1 54 ? 17.688 3.721 19.622 1.00 22.86 ? 395 ASP A N 1 ATOM 404 C CA . ASP A 1 54 ? 16.460 3.948 18.885 1.00 22.87 ? 395 ASP A CA 1 ATOM 405 C C . ASP A 1 54 ? 15.585 4.913 19.700 1.00 23.54 ? 395 ASP A C 1 ATOM 406 O O . ASP A 1 54 ? 15.734 4.984 20.912 1.00 23.97 ? 395 ASP A O 1 ATOM 407 C CB . ASP A 1 54 ? 15.750 2.605 18.670 1.00 22.13 ? 395 ASP A CB 1 ATOM 408 C CG . ASP A 1 54 ? 14.326 2.769 18.223 1.00 22.15 ? 395 ASP A CG 1 ATOM 409 O OD1 . ASP A 1 54 ? 14.104 3.038 17.047 1.00 24.07 ? 395 ASP A OD1 1 ATOM 410 O OD2 . ASP A 1 54 ? 13.395 2.677 19.051 1.00 22.98 ? 395 ASP A OD2 1 ATOM 411 N N . GLY A 1 55 ? 14.661 5.634 19.066 1.00 24.06 ? 396 GLY A N 1 ATOM 412 C CA . GLY A 1 55 ? 13.787 6.545 19.812 1.00 24.89 ? 396 GLY A CA 1 ATOM 413 C C . GLY A 1 55 ? 13.069 5.955 21.039 1.00 26.04 ? 396 GLY A C 1 ATOM 414 O O . GLY A 1 55 ? 12.896 6.647 22.066 1.00 25.33 ? 396 GLY A O 1 ATOM 415 N N . GLY A 1 56 ? 12.636 4.690 20.942 1.00 26.58 ? 397 GLY A N 1 ATOM 416 C CA . GLY A 1 56 ? 11.931 4.034 22.040 1.00 27.43 ? 397 GLY A CA 1 ATOM 417 C C . GLY A 1 56 ? 12.779 3.949 23.309 1.00 28.57 ? 397 GLY A C 1 ATOM 418 O O . GLY A 1 56 ? 12.264 4.045 24.449 1.00 28.31 ? 397 GLY A O 1 ATOM 419 N N . TYR A 1 57 ? 14.084 3.784 23.120 1.00 28.99 ? 398 TYR A N 1 ATOM 420 C CA . TYR A 1 57 ? 14.972 3.603 24.250 1.00 29.74 ? 398 TYR A CA 1 ATOM 421 C C . TYR A 1 57 ? 15.457 4.959 24.768 1.00 30.24 ? 398 TYR A C 1 ATOM 422 O O . TYR A 1 57 ? 15.778 5.088 25.965 1.00 30.82 ? 398 TYR A O 1 ATOM 423 C CB . TYR A 1 57 ? 16.170 2.748 23.857 1.00 29.97 ? 398 TYR A CB 1 ATOM 424 C CG . TYR A 1 57 ? 15.920 1.279 23.503 1.00 29.85 ? 398 TYR A CG 1 ATOM 425 C CD1 . TYR A 1 57 ? 15.218 0.427 24.355 1.00 29.25 ? 398 TYR A CD1 1 ATOM 426 C CD2 . TYR A 1 57 ? 16.484 0.730 22.342 1.00 30.03 ? 398 TYR A CD2 1 ATOM 427 C CE1 . TYR A 1 57 ? 15.058 -0.934 24.041 1.00 30.66 ? 398 TYR A CE1 1 ATOM 428 C CE2 . TYR A 1 57 ? 16.330 -0.618 22.010 1.00 29.68 ? 398 TYR A CE2 1 ATOM 429 C CZ . TYR A 1 57 ? 15.612 -1.440 22.856 1.00 30.90 ? 398 TYR A CZ 1 ATOM 430 O OH . TYR A 1 57 ? 15.454 -2.766 22.505 1.00 31.47 ? 398 TYR A OH 1 ATOM 431 N N . ILE A 1 58 ? 15.540 5.950 23.869 1.00 29.72 ? 399 ILE A N 1 ATOM 432 C CA . ILE A 1 58 ? 15.857 7.319 24.243 1.00 29.18 ? 399 ILE A CA 1 ATOM 433 C C . ILE A 1 58 ? 14.782 7.798 25.222 1.00 29.89 ? 399 ILE A C 1 ATOM 434 O O . ILE A 1 58 ? 15.038 8.653 26.063 1.00 30.41 ? 399 ILE A O 1 ATOM 435 C CB . ILE A 1 58 ? 15.895 8.277 23.017 1.00 29.35 ? 399 ILE A CB 1 ATOM 436 C CG1 . ILE A 1 58 ? 17.086 7.990 22.099 1.00 28.82 ? 399 ILE A CG1 1 ATOM 437 C CG2 . ILE A 1 58 ? 15.882 9.756 23.437 1.00 28.38 ? 399 ILE A CG2 1 ATOM 438 C CD1 . ILE A 1 58 ? 17.037 8.739 20.774 1.00 27.90 ? 399 ILE A CD1 1 ATOM 439 N N . TYR A 1 59 ? 13.585 7.243 25.115 1.00 30.16 ? 400 TYR A N 1 ATOM 440 C CA . TYR A 1 59 ? 12.490 7.629 26.003 1.00 31.11 ? 400 TYR A CA 1 ATOM 441 C C . TYR A 1 59 ? 12.729 7.114 27.437 1.00 31.13 ? 400 TYR A C 1 ATOM 442 O O . TYR A 1 59 ? 12.596 7.875 28.418 1.00 31.21 ? 400 TYR A O 1 ATOM 443 C CB . TYR A 1 59 ? 11.139 7.156 25.430 1.00 31.24 ? 400 TYR A CB 1 ATOM 444 C CG . TYR A 1 59 ? 9.975 7.399 26.350 1.00 32.14 ? 400 TYR A CG 1 ATOM 445 C CD1 . TYR A 1 59 ? 9.347 8.638 26.400 1.00 32.87 ? 400 TYR A CD1 1 ATOM 446 C CD2 . TYR A 1 59 ? 9.503 6.395 27.186 1.00 34.26 ? 400 TYR A CD2 1 ATOM 447 C CE1 . TYR A 1 59 ? 8.278 8.878 27.254 1.00 32.24 ? 400 TYR A CE1 1 ATOM 448 C CE2 . TYR A 1 59 ? 8.412 6.618 28.051 1.00 34.37 ? 400 TYR A CE2 1 ATOM 449 C CZ . TYR A 1 59 ? 7.816 7.866 28.069 1.00 33.36 ? 400 TYR A CZ 1 ATOM 450 O OH . TYR A 1 59 ? 6.774 8.105 28.925 1.00 34.89 ? 400 TYR A OH 1 ATOM 451 N N . THR A 1 60 ? 13.071 5.825 27.530 1.00 30.82 ? 401 THR A N 1 ATOM 452 C CA . THR A 1 60 ? 13.530 5.167 28.747 1.00 31.13 ? 401 THR A CA 1 ATOM 453 C C . THR A 1 60 ? 14.657 5.958 29.406 1.00 31.79 ? 401 THR A C 1 ATOM 454 O O . THR A 1 60 ? 14.496 6.507 30.500 1.00 32.13 ? 401 THR A O 1 ATOM 455 C CB . THR A 1 60 ? 14.054 3.760 28.412 1.00 31.03 ? 401 THR A CB 1 ATOM 456 O OG1 . THR A 1 60 ? 12.974 2.962 27.901 1.00 32.29 ? 401 THR A OG1 1 ATOM 457 C CG2 . THR A 1 60 ? 14.662 3.056 29.658 1.00 31.14 ? 401 THR A CG2 1 ATOM 458 N N . ALA A 1 61 ? 15.780 6.021 28.692 1.00 31.69 ? 402 ALA A N 1 ATOM 459 C CA . ALA A 1 61 ? 16.965 6.718 29.093 1.00 31.17 ? 402 ALA A CA 1 ATOM 460 C C . ALA A 1 61 ? 16.632 8.108 29.577 1.00 31.62 ? 402 ALA A C 1 ATOM 461 O O . ALA A 1 61 ? 17.189 8.567 30.577 1.00 32.34 ? 402 ALA A O 1 ATOM 462 C CB . ALA A 1 61 ? 17.903 6.797 27.920 1.00 30.95 ? 402 ALA A CB 1 ATOM 463 N N . GLY A 1 62 ? 15.737 8.781 28.858 1.00 31.47 ? 403 GLY A N 1 ATOM 464 C CA . GLY A 1 62 ? 15.418 10.181 29.101 1.00 31.28 ? 403 GLY A CA 1 ATOM 465 C C . GLY A 1 62 ? 14.851 10.393 30.482 1.00 31.73 ? 403 GLY A C 1 ATOM 466 O O . GLY A 1 62 ? 15.266 11.314 31.182 1.00 31.66 ? 403 GLY A O 1 ATOM 467 N N . LYS A 1 63 ? 13.945 9.502 30.885 1.00 32.10 ? 404 LYS A N 1 ATOM 468 C CA . LYS A 1 63 ? 13.357 9.495 32.225 1.00 32.43 ? 404 LYS A CA 1 ATOM 469 C C . LYS A 1 63 ? 14.359 9.260 33.340 1.00 32.45 ? 404 LYS A C 1 ATOM 470 O O . LYS A 1 63 ? 14.077 9.527 34.502 1.00 32.68 ? 404 LYS A O 1 ATOM 471 C CB . LYS A 1 63 ? 12.281 8.414 32.305 1.00 33.25 ? 404 LYS A CB 1 ATOM 472 C CG . LYS A 1 63 ? 11.134 8.587 31.308 1.00 34.51 ? 404 LYS A CG 1 ATOM 473 C CD . LYS A 1 63 ? 9.823 8.529 32.049 1.00 39.27 ? 404 LYS A CD 1 ATOM 474 C CE . LYS A 1 63 ? 8.659 9.212 31.289 1.00 43.25 ? 404 LYS A CE 1 ATOM 475 N NZ . LYS A 1 63 ? 8.643 10.732 31.379 1.00 46.11 ? 404 LYS A NZ 1 ATOM 476 N N . CYS A 1 64 ? 15.535 8.749 32.987 1.00 32.76 ? 405 CYS A N 1 ATOM 477 C CA . CYS A 1 64 ? 16.578 8.461 33.966 1.00 32.50 ? 405 CYS A CA 1 ATOM 478 C C . CYS A 1 64 ? 17.657 9.526 33.926 1.00 30.50 ? 405 CYS A C 1 ATOM 479 O O . CYS A 1 64 ? 18.738 9.378 34.505 1.00 29.54 ? 405 CYS A O 1 ATOM 480 C CB . CYS A 1 64 ? 17.151 7.059 33.739 1.00 33.78 ? 405 CYS A CB 1 ATOM 481 S SG . CYS A 1 64 ? 15.925 5.763 33.953 1.00 39.45 ? 405 CYS A SG 1 ATOM 482 N N . GLY A 1 65 ? 17.349 10.614 33.235 1.00 29.36 ? 406 GLY A N 1 ATOM 483 C CA . GLY A 1 65 ? 18.253 11.765 33.157 1.00 27.84 ? 406 GLY A CA 1 ATOM 484 C C . GLY A 1 65 ? 19.318 11.697 32.095 1.00 26.78 ? 406 GLY A C 1 ATOM 485 O O . GLY A 1 65 ? 20.201 12.520 32.082 1.00 27.63 ? 406 GLY A O 1 ATOM 486 N N . LEU A 1 66 ? 19.275 10.715 31.211 1.00 26.50 ? 407 LEU A N 1 ATOM 487 C CA . LEU A 1 66 ? 20.265 10.673 30.133 1.00 26.55 ? 407 LEU A CA 1 ATOM 488 C C . LEU A 1 66 ? 19.899 11.674 29.009 1.00 26.59 ? 407 LEU A C 1 ATOM 489 O O . LEU A 1 66 ? 18.729 12.103 28.895 1.00 26.58 ? 407 LEU A O 1 ATOM 490 C CB . LEU A 1 66 ? 20.417 9.241 29.604 1.00 26.64 ? 407 LEU A CB 1 ATOM 491 C CG . LEU A 1 66 ? 20.956 8.112 30.502 1.00 25.76 ? 407 LEU A CG 1 ATOM 492 C CD1 . LEU A 1 66 ? 21.625 7.149 29.598 1.00 23.97 ? 407 LEU A CD1 1 ATOM 493 C CD2 . LEU A 1 66 ? 21.974 8.568 31.540 1.00 26.51 ? 407 LEU A CD2 1 ATOM 494 N N . VAL A 1 67 ? 20.870 12.056 28.191 1.00 25.82 ? 408 VAL A N 1 ATOM 495 C CA . VAL A 1 67 ? 20.593 13.069 27.180 1.00 26.40 ? 408 VAL A CA 1 ATOM 496 C C . VAL A 1 67 ? 21.115 12.765 25.783 1.00 27.20 ? 408 VAL A C 1 ATOM 497 O O . VAL A 1 67 ? 22.206 12.207 25.644 1.00 27.73 ? 408 VAL A O 1 ATOM 498 C CB . VAL A 1 67 ? 21.073 14.507 27.616 1.00 26.19 ? 408 VAL A CB 1 ATOM 499 C CG1 . VAL A 1 67 ? 20.401 14.928 28.912 1.00 25.79 ? 408 VAL A CG1 1 ATOM 500 C CG2 . VAL A 1 67 ? 22.604 14.603 27.720 1.00 24.70 ? 408 VAL A CG2 1 ATOM 501 N N . PRO A 1 68 ? 20.368 13.201 24.747 1.00 27.74 ? 409 PRO A N 1 ATOM 502 C CA . PRO A 1 68 ? 20.759 13.065 23.353 1.00 27.86 ? 409 PRO A CA 1 ATOM 503 C C . PRO A 1 68 ? 21.901 13.996 23.115 1.00 28.48 ? 409 PRO A C 1 ATOM 504 O O . PRO A 1 68 ? 21.802 15.155 23.484 1.00 29.46 ? 409 PRO A O 1 ATOM 505 C CB . PRO A 1 68 ? 19.553 13.609 22.580 1.00 27.88 ? 409 PRO A CB 1 ATOM 506 C CG . PRO A 1 68 ? 18.414 13.674 23.578 1.00 29.08 ? 409 PRO A CG 1 ATOM 507 C CD . PRO A 1 68 ? 19.080 13.908 24.892 1.00 28.22 ? 409 PRO A CD 1 ATOM 508 N N . VAL A 1 69 ? 22.946 13.505 22.456 1.00 28.77 ? 410 VAL A N 1 ATOM 509 C CA . VAL A 1 69 ? 24.186 14.234 22.191 1.00 28.65 ? 410 VAL A CA 1 ATOM 510 C C . VAL A 1 69 ? 24.357 14.490 20.672 1.00 29.52 ? 410 VAL A C 1 ATOM 511 O O . VAL A 1 69 ? 24.725 15.564 20.232 1.00 29.82 ? 410 VAL A O 1 ATOM 512 C CB . VAL A 1 69 ? 25.389 13.355 22.669 1.00 27.90 ? 410 VAL A CB 1 ATOM 513 C CG1 . VAL A 1 69 ? 26.677 14.050 22.446 1.00 26.97 ? 410 VAL A CG1 1 ATOM 514 C CG2 . VAL A 1 69 ? 25.231 12.985 24.136 1.00 28.14 ? 410 VAL A CG2 1 ATOM 515 N N . LEU A 1 70 ? 24.126 13.464 19.872 1.00 30.23 ? 411 LEU A N 1 ATOM 516 C CA . LEU A 1 70 ? 24.432 13.507 18.455 1.00 30.84 ? 411 LEU A CA 1 ATOM 517 C C . LEU A 1 70 ? 23.498 12.494 17.848 1.00 31.05 ? 411 LEU A C 1 ATOM 518 O O . LEU A 1 70 ? 23.226 11.456 18.475 1.00 30.46 ? 411 LEU A O 1 ATOM 519 C CB . LEU A 1 70 ? 25.883 13.110 18.174 1.00 30.71 ? 411 LEU A CB 1 ATOM 520 C CG . LEU A 1 70 ? 27.047 14.019 18.584 1.00 30.31 ? 411 LEU A CG 1 ATOM 521 C CD1 . LEU A 1 70 ? 28.348 13.247 18.536 1.00 29.26 ? 411 LEU A CD1 1 ATOM 522 C CD2 . LEU A 1 70 ? 27.152 15.229 17.700 1.00 28.99 ? 411 LEU A CD2 1 ATOM 523 N N . ALA A 1 71 ? 22.982 12.823 16.663 1.00 31.18 ? 412 ALA A N 1 ATOM 524 C CA . ALA A 1 71 ? 22.035 11.967 15.973 1.00 32.01 ? 412 ALA A CA 1 ATOM 525 C C . ALA A 1 71 ? 22.626 11.408 14.695 1.00 32.57 ? 412 ALA A C 1 ATOM 526 O O . ALA A 1 71 ? 23.474 12.033 14.085 1.00 33.02 ? 412 ALA A O 1 ATOM 527 C CB . ALA A 1 71 ? 20.807 12.738 15.668 1.00 32.05 ? 412 ALA A CB 1 ATOM 528 N N . GLU A 1 72 ? 22.171 10.233 14.282 1.00 33.77 ? 413 GLU A N 1 ATOM 529 C CA . GLU A 1 72 ? 22.471 9.720 12.949 1.00 34.49 ? 413 GLU A CA 1 ATOM 530 C C . GLU A 1 72 ? 21.820 10.588 11.838 1.00 37.27 ? 413 GLU A C 1 ATOM 531 O O . GLU A 1 72 ? 20.674 11.022 11.960 1.00 35.84 ? 413 GLU A O 1 ATOM 532 C CB . GLU A 1 72 ? 21.948 8.300 12.824 1.00 34.22 ? 413 GLU A CB 1 ATOM 533 C CG . GLU A 1 72 ? 22.638 7.230 13.660 1.00 32.73 ? 413 GLU A CG 1 ATOM 534 C CD . GLU A 1 72 ? 22.081 5.835 13.388 1.00 32.27 ? 413 GLU A CD 1 ATOM 535 O OE1 . GLU A 1 72 ? 20.994 5.712 12.777 1.00 27.55 ? 413 GLU A OE1 1 ATOM 536 O OE2 . GLU A 1 72 ? 22.733 4.856 13.769 1.00 29.79 ? 413 GLU A OE2 1 ATOM 537 N N . ASN A 1 73 ? 22.575 10.840 10.771 1.00 41.18 ? 414 ASN A N 1 ATOM 538 C CA . ASN A 1 73 ? 22.059 11.407 9.529 1.00 45.84 ? 414 ASN A CA 1 ATOM 539 C C . ASN A 1 73 ? 22.360 10.503 8.351 1.00 49.36 ? 414 ASN A C 1 ATOM 540 O O . ASN A 1 73 ? 23.518 10.132 8.152 1.00 49.62 ? 414 ASN A O 1 ATOM 541 C CB . ASN A 1 73 ? 22.714 12.745 9.251 1.00 45.49 ? 414 ASN A CB 1 ATOM 542 C CG . ASN A 1 73 ? 21.760 13.884 9.341 1.00 46.84 ? 414 ASN A CG 1 ATOM 543 O OD1 . ASN A 1 73 ? 20.540 13.705 9.238 1.00 50.24 ? 414 ASN A OD1 1 ATOM 544 N ND2 . ASN A 1 73 ? 22.297 15.084 9.534 1.00 47.40 ? 414 ASN A ND2 1 ATOM 545 N N . ARG A 1 74 ? 21.344 10.159 7.558 1.00 54.20 ? 415 ARG A N 1 ATOM 546 C CA . ARG A 1 74 ? 21.582 9.356 6.341 1.00 59.15 ? 415 ARG A CA 1 ATOM 547 C C . ARG A 1 74 ? 21.618 10.195 5.057 1.00 62.18 ? 415 ARG A C 1 ATOM 548 O O . ARG A 1 74 ? 21.553 11.433 5.116 1.00 62.51 ? 415 ARG A O 1 ATOM 549 C CB . ARG A 1 74 ? 20.616 8.155 6.228 1.00 59.19 ? 415 ARG A CB 1 ATOM 550 C CG . ARG A 1 74 ? 19.232 8.439 5.663 1.00 61.42 ? 415 ARG A CG 1 ATOM 551 C CD . ARG A 1 74 ? 18.215 8.728 6.753 1.00 64.48 ? 415 ARG A CD 1 ATOM 552 N NE . ARG A 1 74 ? 16.902 9.028 6.182 1.00 67.04 ? 415 ARG A NE 1 ATOM 553 C CZ . ARG A 1 74 ? 15.861 9.488 6.878 1.00 69.09 ? 415 ARG A CZ 1 ATOM 554 N NH1 . ARG A 1 74 ? 15.956 9.715 8.187 1.00 69.22 ? 415 ARG A NH1 1 ATOM 555 N NH2 . ARG A 1 74 ? 14.709 9.726 6.260 1.00 70.15 ? 415 ARG A NH2 1 ATOM 556 N N . LYS A 1 75 ? 21.754 9.512 3.913 1.00 66.50 ? 416 LYS A N 1 ATOM 557 C CA . LYS A 1 75 ? 21.719 10.143 2.564 1.00 70.60 ? 416 LYS A CA 1 ATOM 558 C C . LYS A 1 75 ? 20.426 10.952 2.275 1.00 73.02 ? 416 LYS A C 1 ATOM 559 O O . LYS A 1 75 ? 19.312 10.401 2.282 1.00 73.32 ? 416 LYS A O 1 ATOM 560 C CB . LYS A 1 75 ? 21.953 9.094 1.456 1.00 70.81 ? 416 LYS A CB 1 ATOM 561 C CG . LYS A 1 75 ? 23.166 8.163 1.685 1.00 72.45 ? 416 LYS A CG 1 ATOM 562 C CD . LYS A 1 75 ? 24.482 8.946 1.880 1.00 74.48 ? 416 LYS A CD 1 ATOM 563 C CE . LYS A 1 75 ? 25.613 8.060 2.376 1.00 74.37 ? 416 LYS A CE 1 ATOM 564 N NZ . LYS A 1 75 ? 26.006 7.027 1.371 1.00 76.40 ? 416 LYS A NZ 1 ATOM 565 N N . SER A 1 76 ? 20.595 12.257 2.038 1.00 75.87 ? 417 SER A N 1 ATOM 566 C CA . SER A 1 76 ? 19.479 13.175 1.772 1.00 78.65 ? 417 SER A CA 1 ATOM 567 C C . SER A 1 76 ? 19.713 13.979 0.486 1.00 80.74 ? 417 SER A C 1 ATOM 568 O O . SER A 1 76 ? 20.868 14.227 0.098 1.00 81.22 ? 417 SER A O 1 ATOM 569 C CB . SER A 1 76 ? 19.291 14.141 2.945 1.00 78.48 ? 417 SER A CB 1 ATOM 570 O OG . SER A 1 76 ? 18.285 15.104 2.659 1.00 78.49 ? 417 SER A OG 1 ATOM 571 N N . SER A 1 77 ? 18.619 14.389 -0.165 1.00 82.92 ? 418 SER A N 1 ATOM 572 C CA . SER A 1 77 ? 18.708 15.228 -1.368 1.00 84.75 ? 418 SER A CA 1 ATOM 573 C C . SER A 1 77 ? 18.442 16.708 -1.038 1.00 85.91 ? 418 SER A C 1 ATOM 574 O O . SER A 1 77 ? 19.117 17.607 -1.567 1.00 86.23 ? 418 SER A O 1 ATOM 575 C CB . SER A 1 77 ? 17.754 14.721 -2.455 1.00 84.76 ? 418 SER A CB 1 ATOM 576 O OG . SER A 1 77 ? 17.869 15.502 -3.637 1.00 85.51 ? 418 SER A OG 1 ATOM 577 N N . LYS A 1 78 ? 17.456 16.946 -0.167 1.00 87.13 ? 419 LYS A N 1 ATOM 578 C CA . LYS A 1 78 ? 17.172 18.277 0.391 1.00 88.15 ? 419 LYS A CA 1 ATOM 579 C C . LYS A 1 78 ? 18.283 18.672 1.390 1.00 88.82 ? 419 LYS A C 1 ATOM 580 O O . LYS A 1 78 ? 19.080 17.815 1.812 1.00 89.03 ? 419 LYS A O 1 ATOM 581 C CB . LYS A 1 78 ? 15.788 18.269 1.057 1.00 88.07 ? 419 LYS A CB 1 ATOM 582 C CG . LYS A 1 78 ? 15.080 19.607 1.096 1.00 88.23 ? 419 LYS A CG 1 ATOM 583 C CD . LYS A 1 78 ? 15.133 20.230 2.483 1.00 88.25 ? 419 LYS A CD 1 ATOM 584 C CE . LYS A 1 78 ? 14.344 21.541 2.532 1.00 88.39 ? 419 LYS A CE 1 ATOM 585 N NZ . LYS A 1 78 ? 14.534 22.291 3.812 1.00 87.43 ? 419 LYS A NZ 1 ATOM 586 N N . HIS A 1 79 ? 18.345 19.960 1.749 1.00 89.49 ? 420 HIS A N 1 ATOM 587 C CA . HIS A 1 79 ? 19.393 20.510 2.646 1.00 89.95 ? 420 HIS A CA 1 ATOM 588 C C . HIS A 1 79 ? 20.820 20.266 2.104 1.00 89.60 ? 420 HIS A C 1 ATOM 589 O O . HIS A 1 79 ? 21.777 20.097 2.878 1.00 89.57 ? 420 HIS A O 1 ATOM 590 C CB . HIS A 1 79 ? 19.253 19.970 4.090 1.00 90.39 ? 420 HIS A CB 1 ATOM 591 C CG . HIS A 1 79 ? 18.069 20.508 4.842 1.00 91.96 ? 420 HIS A CG 1 ATOM 592 N ND1 . HIS A 1 79 ? 17.020 19.709 5.253 1.00 93.38 ? 420 HIS A ND1 1 ATOM 593 C CD2 . HIS A 1 79 ? 17.775 21.761 5.270 1.00 93.54 ? 420 HIS A CD2 1 ATOM 594 C CE1 . HIS A 1 79 ? 16.129 20.446 5.895 1.00 93.79 ? 420 HIS A CE1 1 ATOM 595 N NE2 . HIS A 1 79 ? 16.563 21.695 5.920 1.00 94.12 ? 420 HIS A NE2 1 ATOM 596 N N . SER A 1 80 ? 20.944 20.270 0.772 1.00 89.09 ? 421 SER A N 1 ATOM 597 C CA . SER A 1 80 ? 22.187 19.910 0.071 1.00 88.36 ? 421 SER A CA 1 ATOM 598 C C . SER A 1 80 ? 23.229 21.042 0.057 1.00 87.60 ? 421 SER A C 1 ATOM 599 O O . SER A 1 80 ? 24.403 20.815 -0.264 1.00 87.59 ? 421 SER A O 1 ATOM 600 C CB . SER A 1 80 ? 21.871 19.459 -1.358 1.00 88.42 ? 421 SER A CB 1 ATOM 601 O OG . SER A 1 80 ? 22.639 18.322 -1.720 1.00 88.90 ? 421 SER A OG 1 ATOM 602 N N . SER A 1 81 ? 22.786 22.254 0.402 1.00 86.54 ? 422 SER A N 1 ATOM 603 C CA . SER A 1 81 ? 23.678 23.409 0.620 1.00 85.32 ? 422 SER A CA 1 ATOM 604 C C . SER A 1 81 ? 24.545 23.259 1.899 1.00 84.00 ? 422 SER A C 1 ATOM 605 O O . SER A 1 81 ? 25.532 23.997 2.084 1.00 83.99 ? 422 SER A O 1 ATOM 606 C CB . SER A 1 81 ? 22.862 24.719 0.692 1.00 85.61 ? 422 SER A CB 1 ATOM 607 O OG . SER A 1 81 ? 22.049 24.918 -0.461 1.00 86.39 ? 422 SER A OG 1 ATOM 608 N N . LEU A 1 82 ? 24.173 22.305 2.766 1.00 81.88 ? 423 LEU A N 1 ATOM 609 C CA . LEU A 1 82 ? 24.773 22.167 4.107 1.00 79.57 ? 423 LEU A CA 1 ATOM 610 C C . LEU A 1 82 ? 25.616 20.893 4.314 1.00 77.40 ? 423 LEU A C 1 ATOM 611 O O . LEU A 1 82 ? 25.292 19.824 3.781 1.00 77.17 ? 423 LEU A O 1 ATOM 612 C CB . LEU A 1 82 ? 23.687 22.270 5.200 1.00 79.88 ? 423 LEU A CB 1 ATOM 613 C CG . LEU A 1 82 ? 23.164 23.646 5.641 1.00 80.04 ? 423 LEU A CG 1 ATOM 614 C CD1 . LEU A 1 82 ? 21.980 24.112 4.790 1.00 80.79 ? 423 LEU A CD1 1 ATOM 615 C CD2 . LEU A 1 82 ? 22.778 23.612 7.116 1.00 80.05 ? 423 LEU A CD2 1 ATOM 616 N N . ASP A 1 83 ? 26.690 21.024 5.097 1.00 74.56 ? 424 ASP A N 1 ATOM 617 C CA . ASP A 1 83 ? 27.505 19.876 5.504 1.00 71.69 ? 424 ASP A CA 1 ATOM 618 C C . ASP A 1 83 ? 26.693 18.962 6.412 1.00 69.23 ? 424 ASP A C 1 ATOM 619 O O . ASP A 1 83 ? 25.765 19.424 7.085 1.00 69.08 ? 424 ASP A O 1 ATOM 620 C CB . ASP A 1 83 ? 28.777 20.326 6.220 1.00 72.03 ? 424 ASP A CB 1 ATOM 621 C CG . ASP A 1 83 ? 29.772 19.196 6.371 1.00 73.33 ? 424 ASP A CG 1 ATOM 622 O OD1 . ASP A 1 83 ? 30.667 19.076 5.504 1.00 75.13 ? 424 ASP A OD1 1 ATOM 623 O OD2 . ASP A 1 83 ? 29.643 18.404 7.334 1.00 74.44 ? 424 ASP A OD2 1 ATOM 624 N N . CYS A 1 84 ? 27.044 17.674 6.426 1.00 65.30 ? 425 CYS A N 1 ATOM 625 C CA . CYS A 1 84 ? 26.287 16.645 7.164 1.00 63.33 ? 425 CYS A CA 1 ATOM 626 C C . CYS A 1 84 ? 26.139 16.913 8.685 1.00 62.38 ? 425 CYS A C 1 ATOM 627 O O . CYS A 1 84 ? 25.020 16.948 9.208 1.00 62.08 ? 425 CYS A O 1 ATOM 628 C CB . CYS A 1 84 ? 26.872 15.246 6.881 1.00 62.57 ? 425 CYS A CB 1 ATOM 629 S SG . CYS A 1 84 ? 25.960 13.830 7.600 1.00 60.16 ? 425 CYS A SG 1 ATOM 630 N N . VAL A 1 85 ? 27.250 17.128 9.382 1.00 61.24 ? 426 VAL A N 1 ATOM 631 C CA . VAL A 1 85 ? 27.203 17.399 10.830 1.00 60.60 ? 426 VAL A CA 1 ATOM 632 C C . VAL A 1 85 ? 26.244 18.546 11.214 1.00 60.34 ? 426 VAL A C 1 ATOM 633 O O . VAL A 1 85 ? 25.586 18.499 12.250 1.00 59.67 ? 426 VAL A O 1 ATOM 634 C CB . VAL A 1 85 ? 28.623 17.620 11.420 1.00 60.40 ? 426 VAL A CB 1 ATOM 635 C CG1 . VAL A 1 85 ? 28.563 17.719 12.922 1.00 59.72 ? 426 VAL A CG1 1 ATOM 636 C CG2 . VAL A 1 85 ? 29.555 16.475 11.012 1.00 59.19 ? 426 VAL A CG2 1 ATOM 637 N N . LEU A 1 86 ? 26.156 19.553 10.349 1.00 60.72 ? 427 LEU A N 1 ATOM 638 C CA . LEU A 1 86 ? 25.321 20.745 10.577 1.00 60.89 ? 427 LEU A CA 1 ATOM 639 C C . LEU A 1 86 ? 23.887 20.622 10.027 1.00 60.98 ? 427 LEU A C 1 ATOM 640 O O . LEU A 1 86 ? 23.007 21.412 10.403 1.00 60.94 ? 427 LEU A O 1 ATOM 641 C CB . LEU A 1 86 ? 25.997 21.989 9.979 1.00 60.77 ? 427 LEU A CB 1 ATOM 642 C CG . LEU A 1 86 ? 27.424 22.344 10.424 1.00 60.82 ? 427 LEU A CG 1 ATOM 643 C CD1 . LEU A 1 86 ? 28.055 23.348 9.458 1.00 60.23 ? 427 LEU A CD1 1 ATOM 644 C CD2 . LEU A 1 86 ? 27.457 22.865 11.868 1.00 60.60 ? 427 LEU A CD2 1 ATOM 645 N N . ARG A 1 87 ? 23.670 19.644 9.138 1.00 60.80 ? 428 ARG A N 1 ATOM 646 C CA . ARG A 1 87 ? 22.366 19.399 8.495 1.00 60.41 ? 428 ARG A CA 1 ATOM 647 C C . ARG A 1 87 ? 21.360 18.736 9.443 1.00 59.36 ? 428 ARG A C 1 ATOM 648 O O . ARG A 1 87 ? 21.689 17.775 10.122 1.00 58.73 ? 428 ARG A O 1 ATOM 649 C CB . ARG A 1 87 ? 22.552 18.584 7.195 1.00 60.58 ? 428 ARG A CB 1 ATOM 650 C CG . ARG A 1 87 ? 21.551 17.418 6.953 1.00 61.60 ? 428 ARG A CG 1 ATOM 651 C CD . ARG A 1 87 ? 21.523 16.898 5.493 1.00 61.40 ? 428 ARG A CD 1 ATOM 652 N NE . ARG A 1 87 ? 22.861 16.736 4.902 1.00 62.59 ? 428 ARG A NE 1 ATOM 653 C CZ . ARG A 1 87 ? 23.480 15.571 4.704 1.00 62.48 ? 428 ARG A CZ 1 ATOM 654 N NH1 . ARG A 1 87 ? 22.886 14.423 5.047 1.00 62.40 ? 428 ARG A NH1 1 ATOM 655 N NH2 . ARG A 1 87 ? 24.698 15.555 4.156 1.00 61.14 ? 428 ARG A NH2 1 ATOM 656 N N . PRO A 1 88 ? 20.119 19.253 9.478 1.00 59.13 ? 429 PRO A N 1 ATOM 657 C CA . PRO A 1 88 ? 19.131 18.668 10.396 1.00 58.52 ? 429 PRO A CA 1 ATOM 658 C C . PRO A 1 88 ? 18.697 17.287 9.935 1.00 58.08 ? 429 PRO A C 1 ATOM 659 O O . PRO A 1 88 ? 18.697 16.971 8.733 1.00 57.87 ? 429 PRO A O 1 ATOM 660 C CB . PRO A 1 88 ? 17.938 19.637 10.339 1.00 58.40 ? 429 PRO A CB 1 ATOM 661 C CG . PRO A 1 88 ? 18.092 20.390 9.048 1.00 59.03 ? 429 PRO A CG 1 ATOM 662 C CD . PRO A 1 88 ? 19.566 20.366 8.674 1.00 59.16 ? 429 PRO A CD 1 ATOM 663 N N . THR A 1 89 ? 18.322 16.475 10.909 1.00 57.39 ? 430 THR A N 1 ATOM 664 C CA . THR A 1 89 ? 17.892 15.116 10.656 1.00 56.22 ? 430 THR A CA 1 ATOM 665 C C . THR A 1 89 ? 16.419 15.078 10.106 1.00 55.57 ? 430 THR A C 1 ATOM 666 O O . THR A 1 89 ? 15.542 15.784 10.617 1.00 55.07 ? 430 THR A O 1 ATOM 667 C CB . THR A 1 89 ? 18.134 14.266 11.935 1.00 56.11 ? 430 THR A CB 1 ATOM 668 O OG1 . THR A 1 89 ? 17.315 14.734 13.011 1.00 55.79 ? 430 THR A OG1 1 ATOM 669 C CG2 . THR A 1 89 ? 19.582 14.382 12.381 1.00 55.71 ? 430 THR A CG2 1 ATOM 670 N N . GLU A 1 90 ? 16.167 14.285 9.050 1.00 54.33 ? 431 GLU A N 1 ATOM 671 C CA . GLU A 1 90 ? 14.802 14.137 8.504 1.00 53.07 ? 431 GLU A CA 1 ATOM 672 C C . GLU A 1 90 ? 13.865 13.315 9.385 1.00 51.06 ? 431 GLU A C 1 ATOM 673 O O . GLU A 1 90 ? 12.743 13.740 9.656 1.00 52.13 ? 431 GLU A O 1 ATOM 674 C CB . GLU A 1 90 ? 14.809 13.556 7.086 1.00 53.67 ? 431 GLU A CB 1 ATOM 675 C CG . GLU A 1 90 ? 14.769 14.624 5.963 1.00 56.80 ? 431 GLU A CG 1 ATOM 676 C CD . GLU A 1 90 ? 15.672 14.261 4.774 1.00 60.02 ? 431 GLU A CD 1 ATOM 677 O OE1 . GLU A 1 90 ? 16.901 14.116 4.986 1.00 60.96 ? 431 GLU A OE1 1 ATOM 678 O OE2 . GLU A 1 90 ? 15.160 14.116 3.636 1.00 61.14 ? 431 GLU A OE2 1 ATOM 679 N N . GLY A 1 91 ? 14.321 12.153 9.841 1.00 47.89 ? 432 GLY A N 1 ATOM 680 C CA . GLY A 1 91 ? 13.440 11.208 10.507 1.00 43.30 ? 432 GLY A CA 1 ATOM 681 C C . GLY A 1 91 ? 13.211 10.083 9.531 1.00 40.46 ? 432 GLY A C 1 ATOM 682 O O . GLY A 1 91 ? 13.135 10.315 8.330 1.00 41.18 ? 432 GLY A O 1 ATOM 683 N N . TYR A 1 92 ? 13.103 8.856 10.015 1.00 36.97 ? 433 TYR A N 1 ATOM 684 C CA . TYR A 1 92 ? 12.867 7.738 9.111 1.00 32.99 ? 433 TYR A CA 1 ATOM 685 C C . TYR A 1 92 ? 11.406 7.318 9.086 1.00 31.79 ? 433 TYR A C 1 ATOM 686 O O . TYR A 1 92 ? 10.651 7.684 9.979 1.00 30.74 ? 433 TYR A O 1 ATOM 687 C CB . TYR A 1 92 ? 13.798 6.571 9.420 1.00 31.92 ? 433 TYR A CB 1 ATOM 688 C CG . TYR A 1 92 ? 13.766 6.025 10.819 1.00 29.08 ? 433 TYR A CG 1 ATOM 689 C CD1 . TYR A 1 92 ? 14.641 6.501 11.787 1.00 27.18 ? 433 TYR A CD1 1 ATOM 690 C CD2 . TYR A 1 92 ? 12.907 4.988 11.160 1.00 26.93 ? 433 TYR A CD2 1 ATOM 691 C CE1 . TYR A 1 92 ? 14.632 5.969 13.079 1.00 28.12 ? 433 TYR A CE1 1 ATOM 692 C CE2 . TYR A 1 92 ? 12.886 4.464 12.433 1.00 26.52 ? 433 TYR A CE2 1 ATOM 693 C CZ . TYR A 1 92 ? 13.748 4.953 13.393 1.00 28.05 ? 433 TYR A CZ 1 ATOM 694 O OH . TYR A 1 92 ? 13.745 4.399 14.661 1.00 28.62 ? 433 TYR A OH 1 ATOM 695 N N . LEU A 1 93 ? 11.001 6.579 8.046 1.00 30.44 ? 434 LEU A N 1 ATOM 696 C CA . LEU A 1 93 ? 9.586 6.227 7.881 1.00 29.09 ? 434 LEU A CA 1 ATOM 697 C C . LEU A 1 93 ? 9.316 4.833 8.414 1.00 29.02 ? 434 LEU A C 1 ATOM 698 O O . LEU A 1 93 ? 9.949 3.883 7.976 1.00 30.50 ? 434 LEU A O 1 ATOM 699 C CB . LEU A 1 93 ? 9.174 6.303 6.406 1.00 28.51 ? 434 LEU A CB 1 ATOM 700 C CG . LEU A 1 93 ? 9.264 7.604 5.587 1.00 26.52 ? 434 LEU A CG 1 ATOM 701 C CD1 . LEU A 1 93 ? 8.740 7.343 4.195 1.00 20.35 ? 434 LEU A CD1 1 ATOM 702 C CD2 . LEU A 1 93 ? 8.540 8.807 6.260 1.00 21.42 ? 434 LEU A CD2 1 ATOM 703 N N . ALA A 1 94 ? 8.375 4.693 9.334 1.00 27.93 ? 435 ALA A N 1 ATOM 704 C CA . ALA A 1 94 ? 8.023 3.398 9.888 1.00 26.93 ? 435 ALA A CA 1 ATOM 705 C C . ALA A 1 94 ? 7.031 2.753 8.939 1.00 26.77 ? 435 ALA A C 1 ATOM 706 O O . ALA A 1 94 ? 6.033 3.386 8.580 1.00 27.63 ? 435 ALA A O 1 ATOM 707 C CB . ALA A 1 94 ? 7.388 3.581 11.263 1.00 26.90 ? 435 ALA A CB 1 ATOM 708 N N . VAL A 1 95 ? 7.263 1.507 8.535 1.00 25.89 ? 436 VAL A N 1 ATOM 709 C CA . VAL A 1 95 ? 6.370 0.857 7.550 1.00 25.22 ? 436 VAL A CA 1 ATOM 710 C C . VAL A 1 95 ? 5.943 -0.518 7.992 1.00 25.28 ? 436 VAL A C 1 ATOM 711 O O . VAL A 1 95 ? 6.543 -1.073 8.910 1.00 26.49 ? 436 VAL A O 1 ATOM 712 C CB . VAL A 1 95 ? 6.998 0.740 6.137 1.00 24.77 ? 436 VAL A CB 1 ATOM 713 C CG1 . VAL A 1 95 ? 7.201 2.109 5.541 1.00 25.21 ? 436 VAL A CG1 1 ATOM 714 C CG2 . VAL A 1 95 ? 8.306 -0.017 6.167 1.00 24.12 ? 436 VAL A CG2 1 ATOM 715 N N . ALA A 1 96 ? 4.887 -1.047 7.373 1.00 24.88 ? 437 ALA A N 1 ATOM 716 C CA . ALA A 1 96 ? 4.448 -2.424 7.578 1.00 24.77 ? 437 ALA A CA 1 ATOM 717 C C . ALA A 1 96 ? 4.623 -3.080 6.221 1.00 24.95 ? 437 ALA A C 1 ATOM 718 O O . ALA A 1 96 ? 4.119 -2.555 5.249 1.00 25.22 ? 437 ALA A O 1 ATOM 719 C CB . ALA A 1 96 ? 3.003 -2.457 7.996 1.00 24.57 ? 437 ALA A CB 1 ATOM 720 N N . VAL A 1 97 ? 5.363 -4.187 6.143 1.00 24.81 ? 438 VAL A N 1 ATOM 721 C CA . VAL A 1 97 ? 5.699 -4.807 4.859 1.00 24.52 ? 438 VAL A CA 1 ATOM 722 C C . VAL A 1 97 ? 5.101 -6.210 4.842 1.00 25.50 ? 438 VAL A C 1 ATOM 723 O O . VAL A 1 97 ? 4.967 -6.844 5.895 1.00 25.22 ? 438 VAL A O 1 ATOM 724 C CB . VAL A 1 97 ? 7.226 -4.951 4.662 1.00 24.36 ? 438 VAL A CB 1 ATOM 725 C CG1 . VAL A 1 97 ? 7.586 -5.095 3.176 1.00 22.29 ? 438 VAL A CG1 1 ATOM 726 C CG2 . VAL A 1 97 ? 7.958 -3.804 5.294 1.00 24.17 ? 438 VAL A CG2 1 ATOM 727 N N . VAL A 1 98 ? 4.745 -6.685 3.645 1.00 26.55 ? 439 VAL A N 1 ATOM 728 C CA . VAL A 1 98 ? 4.122 -7.997 3.438 1.00 26.78 ? 439 VAL A CA 1 ATOM 729 C C . VAL A 1 98 ? 4.597 -8.548 2.101 1.00 28.01 ? 439 VAL A C 1 ATOM 730 O O . VAL A 1 98 ? 5.141 -7.792 1.278 1.00 28.33 ? 439 VAL A O 1 ATOM 731 C CB . VAL A 1 98 ? 2.564 -7.909 3.422 1.00 27.02 ? 439 VAL A CB 1 ATOM 732 C CG1 . VAL A 1 98 ? 2.003 -7.415 4.776 1.00 24.80 ? 439 VAL A CG1 1 ATOM 733 C CG2 . VAL A 1 98 ? 2.056 -7.062 2.219 1.00 24.89 ? 439 VAL A CG2 1 ATOM 734 N N . LYS A 1 99 ? 4.411 -9.854 1.878 1.00 29.09 ? 440 LYS A N 1 ATOM 735 C CA . LYS A 1 99 ? 4.645 -10.425 0.552 1.00 30.46 ? 440 LYS A CA 1 ATOM 736 C C . LYS A 1 99 ? 3.489 -10.059 -0.363 1.00 31.27 ? 440 LYS A C 1 ATOM 737 O O . LYS A 1 99 ? 2.345 -10.057 0.067 1.00 30.76 ? 440 LYS A O 1 ATOM 738 C CB . LYS A 1 99 ? 4.762 -11.956 0.602 1.00 30.78 ? 440 LYS A CB 1 ATOM 739 C CG . LYS A 1 99 ? 6.016 -12.502 1.279 1.00 30.49 ? 440 LYS A CG 1 ATOM 740 C CD . LYS A 1 99 ? 7.260 -12.269 0.466 1.00 29.48 ? 440 LYS A CD 1 ATOM 741 C CE . LYS A 1 99 ? 8.443 -12.886 1.177 1.00 32.42 ? 440 LYS A CE 1 ATOM 742 N NZ . LYS A 1 99 ? 8.496 -14.392 1.092 1.00 30.19 ? 440 LYS A NZ 1 ATOM 743 N N . LYS A 1 100 ? 3.799 -9.735 -1.620 1.00 33.06 ? 441 LYS A N 1 ATOM 744 C CA . LYS A 1 100 ? 2.782 -9.509 -2.656 1.00 34.65 ? 441 LYS A CA 1 ATOM 745 C C . LYS A 1 100 ? 1.941 -10.784 -2.851 1.00 35.34 ? 441 LYS A C 1 ATOM 746 O O . LYS A 1 100 ? 0.693 -10.745 -2.835 1.00 35.57 ? 441 LYS A O 1 ATOM 747 C CB . LYS A 1 100 ? 3.457 -9.099 -3.955 1.00 34.97 ? 441 LYS A CB 1 ATOM 748 C CG . LYS A 1 100 ? 2.570 -9.161 -5.192 1.00 37.83 ? 441 LYS A CG 1 ATOM 749 C CD . LYS A 1 100 ? 3.352 -8.646 -6.398 1.00 40.33 ? 441 LYS A CD 1 ATOM 750 C CE . LYS A 1 100 ? 3.157 -9.491 -7.640 1.00 42.68 ? 441 LYS A CE 1 ATOM 751 N NZ . LYS A 1 100 ? 4.281 -9.214 -8.644 1.00 46.08 ? 441 LYS A NZ 1 ATOM 752 N N . ALA A 1 101 ? 2.628 -11.917 -2.972 1.00 35.67 ? 442 ALA A N 1 ATOM 753 C CA . ALA A 1 101 ? 1.974 -13.222 -3.079 1.00 36.05 ? 442 ALA A CA 1 ATOM 754 C C . ALA A 1 101 ? 0.911 -13.450 -2.018 1.00 36.52 ? 442 ALA A C 1 ATOM 755 O O . ALA A 1 101 ? 0.069 -14.326 -2.160 1.00 37.41 ? 442 ALA A O 1 ATOM 756 C CB . ALA A 1 101 ? 3.004 -14.341 -3.053 1.00 35.64 ? 442 ALA A CB 1 ATOM 757 N N . ASN A 1 102 ? 0.933 -12.656 -0.959 1.00 37.40 ? 443 ASN A N 1 ATOM 758 C CA . ASN A 1 102 ? 0.014 -12.836 0.150 1.00 38.12 ? 443 ASN A CA 1 ATOM 759 C C . ASN A 1 102 ? -1.166 -11.884 -0.060 1.00 39.11 ? 443 ASN A C 1 ATOM 760 O O . ASN A 1 102 ? -1.355 -10.913 0.697 1.00 39.21 ? 443 ASN A O 1 ATOM 761 C CB . ASN A 1 102 ? 0.775 -12.525 1.432 1.00 38.31 ? 443 ASN A CB 1 ATOM 762 C CG . ASN A 1 102 ? 0.173 -13.156 2.665 1.00 38.15 ? 443 ASN A CG 1 ATOM 763 O OD1 . ASN A 1 102 ? -1.038 -13.230 2.831 1.00 38.97 ? 443 ASN A OD1 1 ATOM 764 N ND2 . ASN A 1 102 ? 1.036 -13.557 3.579 1.00 39.52 ? 443 ASN A ND2 1 ATOM 765 N N . GLU A 1 103 ? -1.947 -12.170 -1.107 1.00 39.96 ? 444 GLU A N 1 ATOM 766 C CA . GLU A 1 103 ? -3.008 -11.284 -1.622 1.00 40.75 ? 444 GLU A CA 1 ATOM 767 C C . GLU A 1 103 ? -4.097 -11.106 -0.587 1.00 41.14 ? 444 GLU A C 1 ATOM 768 O O . GLU A 1 103 ? -4.355 -12.023 0.203 1.00 41.77 ? 444 GLU A O 1 ATOM 769 C CB . GLU A 1 103 ? -3.617 -11.875 -2.906 1.00 40.31 ? 444 GLU A CB 1 ATOM 770 C CG . GLU A 1 103 ? -2.645 -11.979 -4.044 1.00 40.61 ? 444 GLU A CG 1 ATOM 771 C CD . GLU A 1 103 ? -3.145 -12.815 -5.210 1.00 42.48 ? 444 GLU A CD 1 ATOM 772 O OE1 . GLU A 1 103 ? -4.321 -12.733 -5.624 1.00 45.29 ? 444 GLU A OE1 1 ATOM 773 O OE2 . GLU A 1 103 ? -2.327 -13.569 -5.760 1.00 47.15 ? 444 GLU A OE2 1 ATOM 774 N N . GLY A 1 104 ? -4.736 -9.940 -0.566 1.00 41.33 ? 445 GLY A N 1 ATOM 775 C CA . GLY A 1 104 ? -5.868 -9.745 0.338 1.00 41.91 ? 445 GLY A CA 1 ATOM 776 C C . GLY A 1 104 ? -5.565 -9.478 1.815 1.00 42.79 ? 445 GLY A C 1 ATOM 777 O O . GLY A 1 104 ? -6.488 -9.174 2.592 1.00 43.57 ? 445 GLY A O 1 ATOM 778 N N . LEU A 1 105 ? -4.296 -9.592 2.223 1.00 42.50 ? 446 LEU A N 1 ATOM 779 C CA . LEU A 1 105 ? -3.860 -9.116 3.534 1.00 41.66 ? 446 LEU A CA 1 ATOM 780 C C . LEU A 1 105 ? -3.677 -7.589 3.532 1.00 41.76 ? 446 LEU A C 1 ATOM 781 O O . LEU A 1 105 ? -2.795 -7.074 2.829 1.00 41.90 ? 446 LEU A O 1 ATOM 782 C CB . LEU A 1 105 ? -2.544 -9.791 3.912 1.00 42.00 ? 446 LEU A CB 1 ATOM 783 C CG . LEU A 1 105 ? -1.799 -9.407 5.192 1.00 40.91 ? 446 LEU A CG 1 ATOM 784 C CD1 . LEU A 1 105 ? -2.756 -9.252 6.389 1.00 40.25 ? 446 LEU A CD1 1 ATOM 785 C CD2 . LEU A 1 105 ? -0.734 -10.452 5.465 1.00 41.25 ? 446 LEU A CD2 1 ATOM 786 N N . THR A 1 106 ? -4.497 -6.873 4.310 1.00 41.02 ? 447 THR A N 1 ATOM 787 C CA . THR A 1 106 ? -4.390 -5.415 4.404 1.00 40.83 ? 447 THR A CA 1 ATOM 788 C C . THR A 1 106 ? -4.179 -5.062 5.854 1.00 40.69 ? 447 THR A C 1 ATOM 789 O O . THR A 1 106 ? -4.127 -5.959 6.674 1.00 41.34 ? 447 THR A O 1 ATOM 790 C CB . THR A 1 106 ? -5.675 -4.690 3.917 1.00 40.95 ? 447 THR A CB 1 ATOM 791 O OG1 . THR A 1 106 ? -6.766 -4.947 4.826 1.00 41.61 ? 447 THR A OG1 1 ATOM 792 C CG2 . THR A 1 106 ? -6.043 -5.104 2.511 1.00 39.85 ? 447 THR A CG2 1 ATOM 793 N N . TRP A 1 107 ? -4.091 -3.767 6.175 1.00 40.24 ? 448 TRP A N 1 ATOM 794 C CA . TRP A 1 107 ? -4.095 -3.291 7.569 1.00 39.63 ? 448 TRP A CA 1 ATOM 795 C C . TRP A 1 107 ? -5.294 -3.769 8.379 1.00 39.61 ? 448 TRP A C 1 ATOM 796 O O . TRP A 1 107 ? -5.190 -3.981 9.583 1.00 39.61 ? 448 TRP A O 1 ATOM 797 C CB . TRP A 1 107 ? -4.028 -1.760 7.648 1.00 39.63 ? 448 TRP A CB 1 ATOM 798 C CG . TRP A 1 107 ? -3.929 -1.306 9.066 1.00 40.41 ? 448 TRP A CG 1 ATOM 799 C CD1 . TRP A 1 107 ? -4.968 -0.918 9.902 1.00 40.50 ? 448 TRP A CD1 1 ATOM 800 C CD2 . TRP A 1 107 ? -2.739 -1.267 9.868 1.00 40.86 ? 448 TRP A CD2 1 ATOM 801 N NE1 . TRP A 1 107 ? -4.480 -0.620 11.163 1.00 39.67 ? 448 TRP A NE1 1 ATOM 802 C CE2 . TRP A 1 107 ? -3.120 -0.818 11.171 1.00 40.85 ? 448 TRP A CE2 1 ATOM 803 C CE3 . TRP A 1 107 ? -1.387 -1.558 9.617 1.00 38.95 ? 448 TRP A CE3 1 ATOM 804 C CZ2 . TRP A 1 107 ? -2.190 -0.656 12.209 1.00 39.81 ? 448 TRP A CZ2 1 ATOM 805 C CZ3 . TRP A 1 107 ? -0.472 -1.399 10.648 1.00 39.42 ? 448 TRP A CZ3 1 ATOM 806 C CH2 . TRP A 1 107 ? -0.880 -0.952 11.930 1.00 39.82 ? 448 TRP A CH2 1 ATOM 807 N N . ASN A 1 108 ? -6.431 -3.943 7.716 1.00 39.76 ? 449 ASN A N 1 ATOM 808 C CA . ASN A 1 108 ? -7.671 -4.355 8.382 1.00 39.50 ? 449 ASN A CA 1 ATOM 809 C C . ASN A 1 108 ? -7.853 -5.855 8.591 1.00 38.98 ? 449 ASN A C 1 ATOM 810 O O . ASN A 1 108 ? -8.861 -6.276 9.124 1.00 38.98 ? 449 ASN A O 1 ATOM 811 C CB . ASN A 1 108 ? -8.855 -3.832 7.584 1.00 39.99 ? 449 ASN A CB 1 ATOM 812 C CG . ASN A 1 108 ? -8.734 -2.361 7.282 1.00 40.53 ? 449 ASN A CG 1 ATOM 813 O OD1 . ASN A 1 108 ? -8.047 -1.631 7.995 1.00 43.05 ? 449 ASN A OD1 1 ATOM 814 N ND2 . ASN A 1 108 ? -9.383 -1.918 6.216 1.00 39.91 ? 449 ASN A ND2 1 ATOM 815 N N . SER A 1 109 ? -6.904 -6.664 8.160 1.00 38.64 ? 450 SER A N 1 ATOM 816 C CA . SER A 1 109 ? -7.059 -8.097 8.282 1.00 38.69 ? 450 SER A CA 1 ATOM 817 C C . SER A 1 109 ? -5.797 -8.695 8.920 1.00 39.22 ? 450 SER A C 1 ATOM 818 O O . SER A 1 109 ? -5.341 -9.794 8.534 1.00 39.49 ? 450 SER A O 1 ATOM 819 C CB . SER A 1 109 ? -7.351 -8.719 6.910 1.00 38.60 ? 450 SER A CB 1 ATOM 820 O OG . SER A 1 109 ? -6.231 -8.619 6.046 1.00 37.92 ? 450 SER A OG 1 ATOM 821 N N . LEU A 1 110 ? -5.234 -7.957 9.887 1.00 39.10 ? 451 LEU A N 1 ATOM 822 C CA . LEU A 1 110 ? -3.990 -8.354 10.554 1.00 38.66 ? 451 LEU A CA 1 ATOM 823 C C . LEU A 1 110 ? -4.229 -9.223 11.775 1.00 39.13 ? 451 LEU A C 1 ATOM 824 O O . LEU A 1 110 ? -3.347 -10.020 12.160 1.00 39.35 ? 451 LEU A O 1 ATOM 825 C CB . LEU A 1 110 ? -3.138 -7.147 10.932 1.00 38.21 ? 451 LEU A CB 1 ATOM 826 C CG . LEU A 1 110 ? -2.240 -6.589 9.829 1.00 36.92 ? 451 LEU A CG 1 ATOM 827 C CD1 . LEU A 1 110 ? -1.410 -5.424 10.329 1.00 35.48 ? 451 LEU A CD1 1 ATOM 828 C CD2 . LEU A 1 110 ? -1.340 -7.657 9.286 1.00 36.29 ? 451 LEU A CD2 1 ATOM 829 N N . LYS A 1 111 ? -5.415 -9.097 12.367 1.00 39.04 ? 452 LYS A N 1 ATOM 830 C CA . LYS A 1 111 ? -5.753 -9.899 13.534 1.00 39.21 ? 452 LYS A CA 1 ATOM 831 C C . LYS A 1 111 ? -5.513 -11.387 13.236 1.00 38.72 ? 452 LYS A C 1 ATOM 832 O O . LYS A 1 111 ? -5.964 -11.908 12.223 1.00 39.13 ? 452 LYS A O 1 ATOM 833 C CB . LYS A 1 111 ? -7.194 -9.615 14.002 1.00 40.14 ? 452 LYS A CB 1 ATOM 834 C CG . LYS A 1 111 ? -7.640 -10.494 15.182 1.00 41.92 ? 452 LYS A CG 1 ATOM 835 C CD . LYS A 1 111 ? -8.317 -9.705 16.294 1.00 46.60 ? 452 LYS A CD 1 ATOM 836 C CE . LYS A 1 111 ? -8.706 -10.616 17.499 1.00 47.50 ? 452 LYS A CE 1 ATOM 837 N NZ . LYS A 1 111 ? -7.576 -11.448 18.075 1.00 49.65 ? 452 LYS A NZ 1 ATOM 838 N N . ASP A 1 112 ? -4.765 -12.052 14.106 1.00 38.19 ? 453 ASP A N 1 ATOM 839 C CA . ASP A 1 112 ? -4.465 -13.494 13.993 1.00 38.02 ? 453 ASP A CA 1 ATOM 840 C C . ASP A 1 112 ? -3.433 -13.881 12.940 1.00 37.02 ? 453 ASP A C 1 ATOM 841 O O . ASP A 1 112 ? -3.203 -15.061 12.697 1.00 37.10 ? 453 ASP A O 1 ATOM 842 C CB . ASP A 1 112 ? -5.732 -14.327 13.843 1.00 38.53 ? 453 ASP A CB 1 ATOM 843 C CG . ASP A 1 112 ? -6.618 -14.258 15.081 1.00 41.58 ? 453 ASP A CG 1 ATOM 844 O OD1 . ASP A 1 112 ? -6.352 -13.443 16.000 1.00 44.57 ? 453 ASP A OD1 1 ATOM 845 O OD2 . ASP A 1 112 ? -7.598 -15.023 15.138 1.00 45.77 ? 453 ASP A OD2 1 ATOM 846 N N . LYS A 1 113 ? -2.788 -12.891 12.341 1.00 35.77 ? 454 LYS A N 1 ATOM 847 C CA . LYS A 1 113 ? -1.658 -13.170 11.493 1.00 34.63 ? 454 LYS A CA 1 ATOM 848 C C . LYS A 1 113 ? -0.355 -13.295 12.313 1.00 33.31 ? 454 LYS A C 1 ATOM 849 O O . LYS A 1 113 ? -0.325 -13.116 13.540 1.00 32.84 ? 454 LYS A O 1 ATOM 850 C CB . LYS A 1 113 ? -1.571 -12.122 10.364 1.00 35.78 ? 454 LYS A CB 1 ATOM 851 C CG . LYS A 1 113 ? -2.816 -12.082 9.416 1.00 36.35 ? 454 LYS A CG 1 ATOM 852 C CD . LYS A 1 113 ? -2.981 -13.444 8.703 1.00 37.37 ? 454 LYS A CD 1 ATOM 853 C CE . LYS A 1 113 ? -4.321 -13.594 8.026 1.00 38.41 ? 454 LYS A CE 1 ATOM 854 N NZ . LYS A 1 113 ? -5.415 -13.042 8.875 1.00 40.58 ? 454 LYS A NZ 1 ATOM 855 N N . LYS A 1 114 ? 0.711 -13.667 11.625 1.00 31.73 ? 455 LYS A N 1 ATOM 856 C CA . LYS A 1 114 ? 2.013 -13.844 12.247 1.00 29.97 ? 455 LYS A CA 1 ATOM 857 C C . LYS A 1 114 ? 2.831 -12.592 12.005 1.00 28.52 ? 455 LYS A C 1 ATOM 858 O O . LYS A 1 114 ? 2.943 -12.136 10.857 1.00 27.48 ? 455 LYS A O 1 ATOM 859 C CB . LYS A 1 114 ? 2.702 -15.103 11.707 1.00 29.65 ? 455 LYS A CB 1 ATOM 860 C CG . LYS A 1 114 ? 1.927 -16.372 12.035 1.00 29.39 ? 455 LYS A CG 1 ATOM 861 C CD . LYS A 1 114 ? 2.611 -17.627 11.486 1.00 30.87 ? 455 LYS A CD 1 ATOM 862 C CE . LYS A 1 114 ? 2.391 -17.791 9.976 1.00 34.93 ? 455 LYS A CE 1 ATOM 863 N NZ . LYS A 1 114 ? 3.197 -18.912 9.382 1.00 37.95 ? 455 LYS A NZ 1 ATOM 864 N N . SER A 1 115 ? 3.386 -12.023 13.085 1.00 27.45 ? 456 SER A N 1 ATOM 865 C CA . SER A 1 115 ? 4.094 -10.726 12.991 1.00 26.26 ? 456 SER A CA 1 ATOM 866 C C . SER A 1 115 ? 5.567 -10.770 13.349 1.00 25.59 ? 456 SER A C 1 ATOM 867 O O . SER A 1 115 ? 5.987 -11.572 14.178 1.00 24.81 ? 456 SER A O 1 ATOM 868 C CB . SER A 1 115 ? 3.386 -9.659 13.814 1.00 26.27 ? 456 SER A CB 1 ATOM 869 O OG . SER A 1 115 ? 3.455 -9.942 15.195 1.00 27.11 ? 456 SER A OG 1 ATOM 870 N N . CYS A 1 116 ? 6.342 -9.896 12.699 1.00 25.49 ? 457 CYS A N 1 ATOM 871 C CA . CYS A 1 116 ? 7.792 -9.758 12.922 1.00 24.57 ? 457 CYS A CA 1 ATOM 872 C C . CYS A 1 116 ? 8.101 -8.360 13.365 1.00 23.74 ? 457 CYS A C 1 ATOM 873 O O . CYS A 1 116 ? 7.876 -7.413 12.610 1.00 23.31 ? 457 CYS A O 1 ATOM 874 C CB . CYS A 1 116 ? 8.570 -10.019 11.637 1.00 24.40 ? 457 CYS A CB 1 ATOM 875 S SG . CYS A 1 116 ? 8.216 -11.617 10.912 1.00 27.09 ? 457 CYS A SG 1 ATOM 876 N N . HIS A 1 117 ? 8.644 -8.241 14.578 1.00 23.29 ? 458 HIS A N 1 ATOM 877 C CA . HIS A 1 117 ? 9.021 -6.946 15.197 1.00 22.52 ? 458 HIS A CA 1 ATOM 878 C C . HIS A 1 117 ? 10.521 -6.832 15.406 1.00 22.15 ? 458 HIS A C 1 ATOM 879 O O . HIS A 1 117 ? 11.178 -7.839 15.661 1.00 21.20 ? 458 HIS A O 1 ATOM 880 C CB . HIS A 1 117 ? 8.322 -6.773 16.546 1.00 22.50 ? 458 HIS A CB 1 ATOM 881 C CG . HIS A 1 117 ? 6.845 -6.934 16.459 1.00 21.84 ? 458 HIS A CG 1 ATOM 882 N ND1 . HIS A 1 117 ? 5.989 -5.867 16.308 1.00 19.72 ? 458 HIS A ND1 1 ATOM 883 C CD2 . HIS A 1 117 ? 6.076 -8.049 16.427 1.00 21.88 ? 458 HIS A CD2 1 ATOM 884 C CE1 . HIS A 1 117 ? 4.750 -6.317 16.226 1.00 21.13 ? 458 HIS A CE1 1 ATOM 885 N NE2 . HIS A 1 117 ? 4.775 -7.637 16.295 1.00 22.24 ? 458 HIS A NE2 1 ATOM 886 N N . THR A 1 118 ? 11.049 -5.604 15.320 1.00 21.84 ? 459 THR A N 1 ATOM 887 C CA . THR A 1 118 ? 12.477 -5.393 15.525 1.00 22.25 ? 459 THR A CA 1 ATOM 888 C C . THR A 1 118 ? 12.901 -5.848 16.933 1.00 22.67 ? 459 THR A C 1 ATOM 889 O O . THR A 1 118 ? 13.886 -6.588 17.091 1.00 21.90 ? 459 THR A O 1 ATOM 890 C CB . THR A 1 118 ? 12.883 -3.949 15.332 1.00 21.87 ? 459 THR A CB 1 ATOM 891 O OG1 . THR A 1 118 ? 12.041 -3.123 16.139 1.00 23.27 ? 459 THR A OG1 1 ATOM 892 C CG2 . THR A 1 118 ? 12.773 -3.552 13.891 1.00 21.34 ? 459 THR A CG2 1 ATOM 893 N N . ALA A 1 119 ? 12.128 -5.419 17.937 1.00 22.85 ? 460 ALA A N 1 ATOM 894 C CA . ALA A 1 119 ? 12.349 -5.762 19.350 1.00 23.07 ? 460 ALA A CA 1 ATOM 895 C C . ALA A 1 119 ? 11.257 -5.042 20.125 1.00 23.31 ? 460 ALA A C 1 ATOM 896 O O . ALA A 1 119 ? 10.767 -4.011 19.677 1.00 24.20 ? 460 ALA A O 1 ATOM 897 C CB . ALA A 1 119 ? 13.717 -5.312 19.810 1.00 22.13 ? 460 ALA A CB 1 ATOM 898 N N . VAL A 1 120 ? 10.841 -5.586 21.261 1.00 23.71 ? 461 VAL A N 1 ATOM 899 C CA . VAL A 1 120 ? 9.926 -4.862 22.149 1.00 23.91 ? 461 VAL A CA 1 ATOM 900 C C . VAL A 1 120 ? 10.521 -3.479 22.478 1.00 24.02 ? 461 VAL A C 1 ATOM 901 O O . VAL A 1 120 ? 11.718 -3.371 22.736 1.00 24.42 ? 461 VAL A O 1 ATOM 902 C CB . VAL A 1 120 ? 9.642 -5.705 23.413 1.00 23.45 ? 461 VAL A CB 1 ATOM 903 C CG1 . VAL A 1 120 ? 9.176 -4.871 24.553 1.00 24.02 ? 461 VAL A CG1 1 ATOM 904 C CG2 . VAL A 1 120 ? 8.599 -6.719 23.092 1.00 24.11 ? 461 VAL A CG2 1 ATOM 905 N N . ASP A 1 121 ? 9.702 -2.432 22.399 1.00 24.10 ? 462 ASP A N 1 ATOM 906 C CA . ASP A 1 121 ? 10.062 -1.057 22.821 1.00 24.50 ? 462 ASP A CA 1 ATOM 907 C C . ASP A 1 121 ? 10.775 -0.193 21.815 1.00 24.09 ? 462 ASP A C 1 ATOM 908 O O . ASP A 1 121 ? 11.171 0.924 22.151 1.00 25.06 ? 462 ASP A O 1 ATOM 909 C CB . ASP A 1 121 ? 10.876 -1.018 24.113 1.00 24.88 ? 462 ASP A CB 1 ATOM 910 C CG . ASP A 1 121 ? 10.025 -1.183 25.339 1.00 28.73 ? 462 ASP A CG 1 ATOM 911 O OD1 . ASP A 1 121 ? 8.779 -1.106 25.227 1.00 33.71 ? 462 ASP A OD1 1 ATOM 912 O OD2 . ASP A 1 121 ? 10.598 -1.401 26.428 1.00 31.84 ? 462 ASP A OD2 1 ATOM 913 N N . ARG A 1 122 ? 10.966 -0.683 20.598 1.00 23.11 ? 463 ARG A N 1 ATOM 914 C CA . ARG A 1 122 ? 11.582 0.120 19.566 1.00 21.54 ? 463 ARG A CA 1 ATOM 915 C C . ARG A 1 122 ? 10.509 0.883 18.787 1.00 21.17 ? 463 ARG A C 1 ATOM 916 O O . ARG A 1 122 ? 9.327 0.574 18.894 1.00 20.69 ? 463 ARG A O 1 ATOM 917 C CB . ARG A 1 122 ? 12.465 -0.774 18.718 1.00 21.97 ? 463 ARG A CB 1 ATOM 918 C CG . ARG A 1 122 ? 13.732 -1.086 19.480 1.00 22.20 ? 463 ARG A CG 1 ATOM 919 C CD . ARG A 1 122 ? 14.762 -1.894 18.738 1.00 23.48 ? 463 ARG A CD 1 ATOM 920 N NE . ARG A 1 122 ? 15.149 -1.336 17.450 1.00 24.99 ? 463 ARG A NE 1 ATOM 921 C CZ . ARG A 1 122 ? 16.176 -1.771 16.724 1.00 26.33 ? 463 ARG A CZ 1 ATOM 922 N NH1 . ARG A 1 122 ? 16.952 -2.760 17.170 1.00 25.31 ? 463 ARG A NH1 1 ATOM 923 N NH2 . ARG A 1 122 ? 16.421 -1.222 15.537 1.00 27.05 ? 463 ARG A NH2 1 ATOM 924 N N . THR A 1 123 ? 10.900 1.918 18.057 1.00 21.23 ? 464 THR A N 1 ATOM 925 C CA . THR A 1 123 ? 9.932 2.812 17.417 1.00 21.65 ? 464 THR A CA 1 ATOM 926 C C . THR A 1 123 ? 9.156 2.151 16.271 1.00 23.11 ? 464 THR A C 1 ATOM 927 O O . THR A 1 123 ? 7.921 2.037 16.319 1.00 23.71 ? 464 THR A O 1 ATOM 928 C CB . THR A 1 123 ? 10.621 4.074 16.914 1.00 21.39 ? 464 THR A CB 1 ATOM 929 O OG1 . THR A 1 123 ? 11.223 4.756 18.032 1.00 21.91 ? 464 THR A OG1 1 ATOM 930 C CG2 . THR A 1 123 ? 9.634 4.986 16.186 1.00 19.42 ? 464 THR A CG2 1 ATOM 931 N N . ALA A 1 124 ? 9.873 1.695 15.244 1.00 24.20 ? 465 ALA A N 1 ATOM 932 C CA . ALA A 1 124 ? 9.215 1.159 14.051 1.00 24.84 ? 465 ALA A CA 1 ATOM 933 C C . ALA A 1 124 ? 8.735 -0.265 14.311 1.00 25.37 ? 465 ALA A C 1 ATOM 934 O O . ALA A 1 124 ? 7.725 -0.695 13.751 1.00 26.45 ? 465 ALA A O 1 ATOM 935 C CB . ALA A 1 124 ? 10.130 1.225 12.855 1.00 23.94 ? 465 ALA A CB 1 ATOM 936 N N . GLY A 1 125 ? 9.425 -0.982 15.189 1.00 25.17 ? 466 GLY A N 1 ATOM 937 C CA . GLY A 1 125 ? 9.096 -2.384 15.412 1.00 25.44 ? 466 GLY A CA 1 ATOM 938 C C . GLY A 1 125 ? 8.002 -2.624 16.436 1.00 25.62 ? 466 GLY A C 1 ATOM 939 O O . GLY A 1 125 ? 7.336 -3.673 16.432 1.00 25.68 ? 466 GLY A O 1 ATOM 940 N N . TRP A 1 126 ? 7.788 -1.651 17.313 1.00 25.47 ? 467 TRP A N 1 ATOM 941 C CA . TRP A 1 126 ? 6.875 -1.880 18.418 1.00 24.76 ? 467 TRP A CA 1 ATOM 942 C C . TRP A 1 126 ? 5.925 -0.727 18.731 1.00 25.36 ? 467 TRP A C 1 ATOM 943 O O . TRP A 1 126 ? 4.698 -0.894 18.620 1.00 25.46 ? 467 TRP A O 1 ATOM 944 C CB . TRP A 1 126 ? 7.668 -2.265 19.656 1.00 24.04 ? 467 TRP A CB 1 ATOM 945 C CG . TRP A 1 126 ? 6.819 -2.676 20.768 1.00 22.52 ? 467 TRP A CG 1 ATOM 946 C CD1 . TRP A 1 126 ? 6.437 -1.913 21.812 1.00 21.64 ? 467 TRP A CD1 1 ATOM 947 C CD2 . TRP A 1 126 ? 6.219 -3.962 20.953 1.00 23.14 ? 467 TRP A CD2 1 ATOM 948 N NE1 . TRP A 1 126 ? 5.630 -2.641 22.651 1.00 23.08 ? 467 TRP A NE1 1 ATOM 949 C CE2 . TRP A 1 126 ? 5.494 -3.909 22.156 1.00 22.24 ? 467 TRP A CE2 1 ATOM 950 C CE3 . TRP A 1 126 ? 6.242 -5.172 20.224 1.00 23.98 ? 467 TRP A CE3 1 ATOM 951 C CZ2 . TRP A 1 126 ? 4.772 -5.000 22.645 1.00 22.69 ? 467 TRP A CZ2 1 ATOM 952 C CZ3 . TRP A 1 126 ? 5.535 -6.266 20.722 1.00 22.73 ? 467 TRP A CZ3 1 ATOM 953 C CH2 . TRP A 1 126 ? 4.802 -6.167 21.911 1.00 22.16 ? 467 TRP A CH2 1 ATOM 954 N N . ASN A 1 127 ? 6.478 0.422 19.121 1.00 25.65 ? 468 ASN A N 1 ATOM 955 C CA . ASN A 1 127 ? 5.667 1.493 19.676 1.00 26.65 ? 468 ASN A CA 1 ATOM 956 C C . ASN A 1 127 ? 4.705 2.077 18.699 1.00 27.13 ? 468 ASN A C 1 ATOM 957 O O . ASN A 1 127 ? 3.563 2.337 19.081 1.00 27.22 ? 468 ASN A O 1 ATOM 958 C CB . ASN A 1 127 ? 6.520 2.591 20.287 1.00 27.56 ? 468 ASN A CB 1 ATOM 959 C CG . ASN A 1 127 ? 7.352 2.082 21.448 1.00 29.61 ? 468 ASN A CG 1 ATOM 960 O OD1 . ASN A 1 127 ? 6.976 1.095 22.103 1.00 30.79 ? 468 ASN A OD1 1 ATOM 961 N ND2 . ASN A 1 127 ? 8.515 2.711 21.678 1.00 29.65 ? 468 ASN A ND2 1 ATOM 962 N N . ILE A 1 128 ? 5.127 2.251 17.437 1.00 27.26 ? 469 ILE A N 1 ATOM 963 C CA . ILE A 1 128 ? 4.201 2.730 16.410 1.00 27.06 ? 469 ILE A CA 1 ATOM 964 C C . ILE A 1 128 ? 3.082 1.699 16.149 1.00 27.90 ? 469 ILE A C 1 ATOM 965 O O . ILE A 1 128 ? 1.907 1.995 16.417 1.00 27.79 ? 469 ILE A O 1 ATOM 966 C CB . ILE A 1 128 ? 4.912 3.237 15.120 1.00 27.01 ? 469 ILE A CB 1 ATOM 967 C CG1 . ILE A 1 128 ? 5.846 4.429 15.422 1.00 27.07 ? 469 ILE A CG1 1 ATOM 968 C CG2 . ILE A 1 128 ? 3.907 3.628 14.049 1.00 26.11 ? 469 ILE A CG2 1 ATOM 969 C CD1 . ILE A 1 128 ? 5.251 5.512 16.342 1.00 25.74 ? 469 ILE A CD1 1 ATOM 970 N N . PRO A 1 129 ? 3.435 0.476 15.694 1.00 28.28 ? 470 PRO A N 1 ATOM 971 C CA . PRO A 1 129 ? 2.423 -0.526 15.344 1.00 28.79 ? 470 PRO A CA 1 ATOM 972 C C . PRO A 1 129 ? 1.432 -0.782 16.489 1.00 29.34 ? 470 PRO A C 1 ATOM 973 O O . PRO A 1 129 ? 0.232 -0.614 16.305 1.00 29.54 ? 470 PRO A O 1 ATOM 974 C CB . PRO A 1 129 ? 3.244 -1.808 15.130 1.00 28.56 ? 470 PRO A CB 1 ATOM 975 C CG . PRO A 1 129 ? 4.599 -1.362 14.860 1.00 28.98 ? 470 PRO A CG 1 ATOM 976 C CD . PRO A 1 129 ? 4.801 -0.047 15.539 1.00 28.46 ? 470 PRO A CD 1 ATOM 977 N N . MET A 1 130 ? 1.945 -1.199 17.648 1.00 29.85 ? 471 MET A N 1 ATOM 978 C CA . MET A 1 130 ? 1.129 -1.600 18.797 1.00 30.38 ? 471 MET A CA 1 ATOM 979 C C . MET A 1 130 ? 0.384 -0.420 19.406 1.00 30.63 ? 471 MET A C 1 ATOM 980 O O . MET A 1 130 ? -0.675 -0.588 19.979 1.00 30.91 ? 471 MET A O 1 ATOM 981 C CB . MET A 1 130 ? 2.003 -2.251 19.877 1.00 30.02 ? 471 MET A CB 1 ATOM 982 C CG . MET A 1 130 ? 2.740 -3.463 19.412 1.00 32.03 ? 471 MET A CG 1 ATOM 983 S SD . MET A 1 130 ? 1.612 -4.795 18.865 1.00 36.13 ? 471 MET A SD 1 ATOM 984 C CE . MET A 1 130 ? 1.970 -4.712 17.147 1.00 39.38 ? 471 MET A CE 1 ATOM 985 N N . GLY A 1 131 ? 0.965 0.770 19.319 1.00 31.22 ? 472 GLY A N 1 ATOM 986 C CA . GLY A 1 131 ? 0.261 1.983 19.678 1.00 31.69 ? 472 GLY A CA 1 ATOM 987 C C . GLY A 1 131 ? -0.972 2.136 18.822 1.00 32.41 ? 472 GLY A C 1 ATOM 988 O O . GLY A 1 131 ? -2.069 2.294 19.352 1.00 32.84 ? 472 GLY A O 1 ATOM 989 N N . LEU A 1 132 ? -0.811 2.068 17.505 1.00 33.16 ? 473 LEU A N 1 ATOM 990 C CA . LEU A 1 132 ? -1.974 2.066 16.610 1.00 34.65 ? 473 LEU A CA 1 ATOM 991 C C . LEU A 1 132 ? -2.958 0.923 16.883 1.00 35.48 ? 473 LEU A C 1 ATOM 992 O O . LEU A 1 132 ? -4.173 1.141 16.838 1.00 36.32 ? 473 LEU A O 1 ATOM 993 C CB . LEU A 1 132 ? -1.583 2.047 15.135 1.00 34.10 ? 473 LEU A CB 1 ATOM 994 C CG . LEU A 1 132 ? -0.673 3.158 14.648 1.00 34.68 ? 473 LEU A CG 1 ATOM 995 C CD1 . LEU A 1 132 ? -0.068 2.761 13.337 1.00 33.77 ? 473 LEU A CD1 1 ATOM 996 C CD2 . LEU A 1 132 ? -1.435 4.483 14.548 1.00 35.63 ? 473 LEU A CD2 1 ATOM 997 N N . ILE A 1 133 ? -2.456 -0.273 17.154 1.00 35.80 ? 474 ILE A N 1 ATOM 998 C CA . ILE A 1 133 ? -3.352 -1.412 17.331 1.00 37.39 ? 474 ILE A CA 1 ATOM 999 C C . ILE A 1 133 ? -4.207 -1.268 18.598 1.00 38.63 ? 474 ILE A C 1 ATOM 1000 O O . ILE A 1 133 ? -5.417 -1.407 18.521 1.00 38.92 ? 474 ILE A O 1 ATOM 1001 C CB . ILE A 1 133 ? -2.600 -2.758 17.285 1.00 37.24 ? 474 ILE A CB 1 ATOM 1002 C CG1 . ILE A 1 133 ? -2.384 -3.193 15.832 1.00 37.62 ? 474 ILE A CG1 1 ATOM 1003 C CG2 . ILE A 1 133 ? -3.364 -3.826 18.030 1.00 37.81 ? 474 ILE A CG2 1 ATOM 1004 C CD1 . ILE A 1 133 ? -1.053 -3.937 15.586 1.00 36.95 ? 474 ILE A CD1 1 ATOM 1005 N N . VAL A 1 134 ? -3.585 -0.962 19.742 1.00 39.96 ? 475 VAL A N 1 ATOM 1006 C CA . VAL A 1 134 ? -4.308 -0.670 20.974 1.00 41.38 ? 475 VAL A CA 1 ATOM 1007 C C . VAL A 1 134 ? -5.370 0.407 20.720 1.00 42.95 ? 475 VAL A C 1 ATOM 1008 O O . VAL A 1 134 ? -6.497 0.301 21.200 1.00 43.48 ? 475 VAL A O 1 ATOM 1009 C CB . VAL A 1 134 ? -3.351 -0.210 22.126 1.00 41.40 ? 475 VAL A CB 1 ATOM 1010 C CG1 . VAL A 1 134 ? -4.107 0.533 23.224 1.00 38.80 ? 475 VAL A CG1 1 ATOM 1011 C CG2 . VAL A 1 134 ? -2.571 -1.411 22.707 1.00 41.98 ? 475 VAL A CG2 1 ATOM 1012 N N . ASN A 1 135 ? -5.006 1.429 19.954 1.00 44.31 ? 476 ASN A N 1 ATOM 1013 C CA . ASN A 1 135 ? -5.916 2.511 19.630 1.00 45.76 ? 476 ASN A CA 1 ATOM 1014 C C . ASN A 1 135 ? -7.174 2.041 18.942 1.00 46.91 ? 476 ASN A C 1 ATOM 1015 O O . ASN A 1 135 ? -8.278 2.248 19.457 1.00 47.29 ? 476 ASN A O 1 ATOM 1016 C CB . ASN A 1 135 ? -5.214 3.541 18.757 1.00 45.92 ? 476 ASN A CB 1 ATOM 1017 C CG . ASN A 1 135 ? -4.739 4.726 19.554 1.00 46.15 ? 476 ASN A CG 1 ATOM 1018 O OD1 . ASN A 1 135 ? -4.543 4.625 20.770 1.00 41.63 ? 476 ASN A OD1 1 ATOM 1019 N ND2 . ASN A 1 135 ? -4.583 5.878 18.881 1.00 47.01 ? 476 ASN A ND2 1 ATOM 1020 N N . GLN A 1 136 ? -6.993 1.393 17.788 1.00 47.85 ? 477 GLN A N 1 ATOM 1021 C CA . GLN A 1 136 ? -8.094 0.855 16.982 1.00 48.55 ? 477 GLN A CA 1 ATOM 1022 C C . GLN A 1 136 ? -8.870 -0.257 17.675 1.00 48.62 ? 477 GLN A C 1 ATOM 1023 O O . GLN A 1 136 ? -10.042 -0.478 17.389 1.00 48.86 ? 477 GLN A O 1 ATOM 1024 C CB . GLN A 1 136 ? -7.563 0.359 15.636 1.00 48.46 ? 477 GLN A CB 1 ATOM 1025 C CG . GLN A 1 136 ? -7.054 1.485 14.755 1.00 50.15 ? 477 GLN A CG 1 ATOM 1026 C CD . GLN A 1 136 ? -6.023 1.025 13.744 1.00 52.53 ? 477 GLN A CD 1 ATOM 1027 O OE1 . GLN A 1 136 ? -5.867 -0.178 13.495 1.00 54.48 ? 477 GLN A OE1 1 ATOM 1028 N NE2 . GLN A 1 136 ? -5.304 1.981 13.155 1.00 51.51 ? 477 GLN A NE2 1 ATOM 1029 N N . THR A 1 137 ? -8.206 -0.957 18.579 1.00 48.92 ? 478 THR A N 1 ATOM 1030 C CA . THR A 1 137 ? -8.779 -2.112 19.249 1.00 49.44 ? 478 THR A CA 1 ATOM 1031 C C . THR A 1 137 ? -9.541 -1.728 20.527 1.00 50.28 ? 478 THR A C 1 ATOM 1032 O O . THR A 1 137 ? -10.318 -2.514 21.052 1.00 50.18 ? 478 THR A O 1 ATOM 1033 C CB . THR A 1 137 ? -7.646 -3.146 19.497 1.00 49.27 ? 478 THR A CB 1 ATOM 1034 O OG1 . THR A 1 137 ? -7.735 -4.187 18.520 1.00 49.61 ? 478 THR A OG1 1 ATOM 1035 C CG2 . THR A 1 137 ? -7.648 -3.752 20.877 1.00 49.12 ? 478 THR A CG2 1 ATOM 1036 N N . GLY A 1 138 ? -9.327 -0.505 21.010 1.00 51.26 ? 479 GLY A N 1 ATOM 1037 C CA . GLY A 1 138 ? -9.716 -0.121 22.364 1.00 52.23 ? 479 GLY A CA 1 ATOM 1038 C C . GLY A 1 138 ? -9.348 -1.126 23.454 1.00 53.13 ? 479 GLY A C 1 ATOM 1039 O O . GLY A 1 138 ? -10.069 -1.245 24.431 1.00 54.04 ? 479 GLY A O 1 ATOM 1040 N N . SER A 1 139 ? -8.242 -1.856 23.303 1.00 53.48 ? 480 SER A N 1 ATOM 1041 C CA . SER A 1 139 ? -7.830 -2.860 24.302 1.00 53.79 ? 480 SER A CA 1 ATOM 1042 C C . SER A 1 139 ? -6.298 -2.987 24.474 1.00 53.73 ? 480 SER A C 1 ATOM 1043 O O . SER A 1 139 ? -5.541 -2.920 23.500 1.00 53.93 ? 480 SER A O 1 ATOM 1044 C CB . SER A 1 139 ? -8.447 -4.222 23.970 1.00 53.99 ? 480 SER A CB 1 ATOM 1045 O OG . SER A 1 139 ? -7.538 -5.290 24.227 1.00 55.51 ? 480 SER A OG 1 ATOM 1046 N N . CYS A 1 140 ? -5.865 -3.182 25.719 1.00 53.04 ? 481 CYS A N 1 ATOM 1047 C CA . CYS A 1 140 ? -4.453 -3.354 26.064 1.00 52.85 ? 481 CYS A CA 1 ATOM 1048 C C . CYS A 1 140 ? -3.965 -4.773 25.862 1.00 52.39 ? 481 CYS A C 1 ATOM 1049 O O . CYS A 1 140 ? -2.844 -5.123 26.243 1.00 51.91 ? 481 CYS A O 1 ATOM 1050 C CB . CYS A 1 140 ? -4.221 -2.978 27.532 1.00 53.26 ? 481 CYS A CB 1 ATOM 1051 S SG . CYS A 1 140 ? -4.217 -1.206 27.844 1.00 53.74 ? 481 CYS A SG 1 ATOM 1052 N N . ALA A 1 141 ? -4.821 -5.595 25.279 1.00 52.19 ? 482 ALA A N 1 ATOM 1053 C CA . ALA A 1 141 ? -4.511 -6.994 25.090 1.00 52.35 ? 482 ALA A CA 1 ATOM 1054 C C . ALA A 1 141 ? -3.685 -7.243 23.797 1.00 52.25 ? 482 ALA A C 1 ATOM 1055 O O . ALA A 1 141 ? -3.958 -8.181 23.042 1.00 52.45 ? 482 ALA A O 1 ATOM 1056 C CB . ALA A 1 141 ? -5.815 -7.809 25.109 1.00 52.53 ? 482 ALA A CB 1 ATOM 1057 N N . PHE A 1 142 ? -2.670 -6.405 23.561 1.00 51.81 ? 483 PHE A N 1 ATOM 1058 C CA . PHE A 1 142 ? -1.792 -6.530 22.392 1.00 51.13 ? 483 PHE A CA 1 ATOM 1059 C C . PHE A 1 142 ? -1.023 -7.863 22.320 1.00 50.77 ? 483 PHE A C 1 ATOM 1060 O O . PHE A 1 142 ? -0.574 -8.261 21.261 1.00 50.26 ? 483 PHE A O 1 ATOM 1061 C CB . PHE A 1 142 ? -0.832 -5.327 22.282 1.00 51.36 ? 483 PHE A CB 1 ATOM 1062 C CG . PHE A 1 142 ? 0.088 -5.130 23.490 1.00 50.91 ? 483 PHE A CG 1 ATOM 1063 C CD1 . PHE A 1 142 ? 0.006 -3.964 24.259 1.00 50.89 ? 483 PHE A CD1 1 ATOM 1064 C CD2 . PHE A 1 142 ? 1.054 -6.080 23.829 1.00 50.21 ? 483 PHE A CD2 1 ATOM 1065 C CE1 . PHE A 1 142 ? 0.846 -3.760 25.358 1.00 50.71 ? 483 PHE A CE1 1 ATOM 1066 C CE2 . PHE A 1 142 ? 1.899 -5.893 24.929 1.00 50.20 ? 483 PHE A CE2 1 ATOM 1067 C CZ . PHE A 1 142 ? 1.792 -4.732 25.697 1.00 51.01 ? 483 PHE A CZ 1 ATOM 1068 N N . ASP A 1 143 ? -0.882 -8.554 23.443 1.00 50.77 ? 484 ASP A N 1 ATOM 1069 C CA . ASP A 1 143 ? -0.293 -9.896 23.441 1.00 50.99 ? 484 ASP A CA 1 ATOM 1070 C C . ASP A 1 143 ? -1.197 -10.931 22.787 1.00 50.05 ? 484 ASP A C 1 ATOM 1071 O O . ASP A 1 143 ? -0.749 -12.028 22.466 1.00 50.15 ? 484 ASP A O 1 ATOM 1072 C CB . ASP A 1 143 ? 0.017 -10.362 24.874 1.00 51.94 ? 484 ASP A CB 1 ATOM 1073 C CG . ASP A 1 143 ? -1.194 -10.308 25.776 1.00 53.24 ? 484 ASP A CG 1 ATOM 1074 O OD1 . ASP A 1 143 ? -1.776 -9.203 25.895 1.00 55.94 ? 484 ASP A OD1 1 ATOM 1075 O OD2 . ASP A 1 143 ? -1.564 -11.360 26.347 1.00 54.66 ? 484 ASP A OD2 1 ATOM 1076 N N . GLU A 1 144 ? -2.469 -10.585 22.613 1.00 49.08 ? 485 GLU A N 1 ATOM 1077 C CA . GLU A 1 144 ? -3.461 -11.509 22.061 1.00 48.39 ? 485 GLU A CA 1 ATOM 1078 C C . GLU A 1 144 ? -3.964 -11.119 20.689 1.00 46.57 ? 485 GLU A C 1 ATOM 1079 O O . GLU A 1 144 ? -4.860 -11.758 20.169 1.00 46.62 ? 485 GLU A O 1 ATOM 1080 C CB . GLU A 1 144 ? -4.641 -11.669 23.020 1.00 49.08 ? 485 GLU A CB 1 ATOM 1081 C CG . GLU A 1 144 ? -4.381 -12.723 24.089 1.00 53.60 ? 485 GLU A CG 1 ATOM 1082 C CD . GLU A 1 144 ? -5.184 -12.489 25.367 1.00 59.25 ? 485 GLU A CD 1 ATOM 1083 O OE1 . GLU A 1 144 ? -4.564 -12.461 26.467 1.00 61.19 ? 485 GLU A OE1 1 ATOM 1084 O OE2 . GLU A 1 144 ? -6.427 -12.341 25.271 1.00 61.58 ? 485 GLU A OE2 1 ATOM 1085 N N . PHE A 1 145 ? -3.387 -10.072 20.105 1.00 44.97 ? 486 PHE A N 1 ATOM 1086 C CA . PHE A 1 145 ? -3.773 -9.608 18.767 1.00 42.90 ? 486 PHE A CA 1 ATOM 1087 C C . PHE A 1 145 ? -3.289 -10.536 17.666 1.00 41.62 ? 486 PHE A C 1 ATOM 1088 O O . PHE A 1 145 ? -4.073 -10.926 16.829 1.00 41.83 ? 486 PHE A O 1 ATOM 1089 C CB . PHE A 1 145 ? -3.288 -8.183 18.493 1.00 42.29 ? 486 PHE A CB 1 ATOM 1090 C CG . PHE A 1 145 ? -3.903 -7.555 17.262 1.00 42.08 ? 486 PHE A CG 1 ATOM 1091 C CD1 . PHE A 1 145 ? -5.234 -7.125 17.265 1.00 41.19 ? 486 PHE A CD1 1 ATOM 1092 C CD2 . PHE A 1 145 ? -3.160 -7.376 16.107 1.00 42.15 ? 486 PHE A CD2 1 ATOM 1093 C CE1 . PHE A 1 145 ? -5.809 -6.524 16.138 1.00 39.70 ? 486 PHE A CE1 1 ATOM 1094 C CE2 . PHE A 1 145 ? -3.732 -6.765 14.983 1.00 42.27 ? 486 PHE A CE2 1 ATOM 1095 C CZ . PHE A 1 145 ? -5.067 -6.336 15.008 1.00 40.59 ? 486 PHE A CZ 1 ATOM 1096 N N . PHE A 1 146 ? -2.004 -10.875 17.667 1.00 40.62 ? 487 PHE A N 1 ATOM 1097 C CA . PHE A 1 146 ? -1.410 -11.732 16.638 1.00 39.52 ? 487 PHE A CA 1 ATOM 1098 C C . PHE A 1 146 ? -1.436 -13.158 17.127 1.00 38.92 ? 487 PHE A C 1 ATOM 1099 O O . PHE A 1 146 ? -1.439 -13.394 18.337 1.00 39.32 ? 487 PHE A O 1 ATOM 1100 C CB . PHE A 1 146 ? 0.030 -11.317 16.359 1.00 39.26 ? 487 PHE A CB 1 ATOM 1101 C CG . PHE A 1 146 ? 0.147 -10.004 15.652 1.00 39.77 ? 487 PHE A CG 1 ATOM 1102 C CD1 . PHE A 1 146 ? -0.301 -9.862 14.332 1.00 40.02 ? 487 PHE A CD1 1 ATOM 1103 C CD2 . PHE A 1 146 ? 0.698 -8.906 16.290 1.00 40.12 ? 487 PHE A CD2 1 ATOM 1104 C CE1 . PHE A 1 146 ? -0.196 -8.647 13.661 1.00 38.25 ? 487 PHE A CE1 1 ATOM 1105 C CE2 . PHE A 1 146 ? 0.805 -7.688 15.621 1.00 40.16 ? 487 PHE A CE2 1 ATOM 1106 C CZ . PHE A 1 146 ? 0.350 -7.568 14.300 1.00 39.79 ? 487 PHE A CZ 1 ATOM 1107 N N . SER A 1 147 ? -1.462 -14.119 16.210 1.00 37.67 ? 488 SER A N 1 ATOM 1108 C CA . SER A 1 147 ? -1.495 -15.517 16.635 1.00 36.50 ? 488 SER A CA 1 ATOM 1109 C C . SER A 1 147 ? -0.130 -15.853 17.220 1.00 35.52 ? 488 SER A C 1 ATOM 1110 O O . SER A 1 147 ? -0.026 -16.530 18.244 1.00 35.26 ? 488 SER A O 1 ATOM 1111 C CB . SER A 1 147 ? -1.835 -16.448 15.475 1.00 35.66 ? 488 SER A CB 1 ATOM 1112 O OG . SER A 1 147 ? -1.078 -16.073 14.350 1.00 36.85 ? 488 SER A OG 1 ATOM 1113 N N . GLN A 1 148 ? 0.907 -15.343 16.552 1.00 34.39 ? 489 GLN A N 1 ATOM 1114 C CA . GLN A 1 148 ? 2.306 -15.635 16.869 1.00 32.76 ? 489 GLN A CA 1 ATOM 1115 C C . GLN A 1 148 ? 3.170 -14.503 16.335 1.00 30.54 ? 489 GLN A C 1 ATOM 1116 O O . GLN A 1 148 ? 2.931 -13.980 15.245 1.00 29.72 ? 489 GLN A O 1 ATOM 1117 C CB . GLN A 1 148 ? 2.752 -16.945 16.226 1.00 32.40 ? 489 GLN A CB 1 ATOM 1118 C CG . GLN A 1 148 ? 2.169 -18.190 16.840 1.00 33.84 ? 489 GLN A CG 1 ATOM 1119 C CD . GLN A 1 148 ? 2.658 -19.449 16.131 1.00 34.73 ? 489 GLN A CD 1 ATOM 1120 O OE1 . GLN A 1 148 ? 2.519 -19.586 14.914 1.00 38.63 ? 489 GLN A OE1 1 ATOM 1121 N NE2 . GLN A 1 148 ? 3.228 -20.373 16.890 1.00 36.30 ? 489 GLN A NE2 1 ATOM 1122 N N . SER A 1 149 ? 4.179 -14.136 17.111 1.00 28.57 ? 490 SER A N 1 ATOM 1123 C CA . SER A 1 149 ? 5.127 -13.127 16.698 1.00 26.78 ? 490 SER A CA 1 ATOM 1124 C C . SER A 1 149 ? 6.539 -13.530 17.012 1.00 25.96 ? 490 SER A C 1 ATOM 1125 O O . SER A 1 149 ? 6.804 -14.535 17.688 1.00 25.82 ? 490 SER A O 1 ATOM 1126 C CB . SER A 1 149 ? 4.808 -11.814 17.385 1.00 26.49 ? 490 SER A CB 1 ATOM 1127 O OG . SER A 1 149 ? 3.432 -11.495 17.200 1.00 26.86 ? 490 SER A OG 1 ATOM 1128 N N . CYS A 1 150 ? 7.458 -12.751 16.488 1.00 25.24 ? 491 CYS A N 1 ATOM 1129 C CA . CYS A 1 150 ? 8.753 -12.669 17.101 1.00 24.74 ? 491 CYS A CA 1 ATOM 1130 C C . CYS A 1 150 ? 8.986 -11.202 17.532 1.00 24.25 ? 491 CYS A C 1 ATOM 1131 O O . CYS A 1 150 ? 9.097 -10.312 16.697 1.00 24.09 ? 491 CYS A O 1 ATOM 1132 C CB . CYS A 1 150 ? 9.834 -13.183 16.172 1.00 24.73 ? 491 CYS A CB 1 ATOM 1133 S SG . CYS A 1 150 ? 11.499 -12.894 16.829 1.00 25.82 ? 491 CYS A SG 1 ATOM 1134 N N . ALA A 1 151 ? 9.013 -10.972 18.846 1.00 23.79 ? 492 ALA A N 1 ATOM 1135 C CA . ALA A 1 151 ? 9.143 -9.652 19.427 1.00 23.25 ? 492 ALA A CA 1 ATOM 1136 C C . ALA A 1 151 ? 10.298 -9.727 20.418 1.00 23.57 ? 492 ALA A C 1 ATOM 1137 O O . ALA A 1 151 ? 10.059 -9.844 21.623 1.00 24.00 ? 492 ALA A O 1 ATOM 1138 C CB . ALA A 1 151 ? 7.866 -9.274 20.138 1.00 22.30 ? 492 ALA A CB 1 ATOM 1139 N N . PRO A 1 152 ? 11.558 -9.666 19.932 1.00 23.30 ? 493 PRO A N 1 ATOM 1140 C CA . PRO A 1 152 ? 12.641 -9.850 20.900 1.00 23.69 ? 493 PRO A CA 1 ATOM 1141 C C . PRO A 1 152 ? 12.470 -8.986 22.141 1.00 24.31 ? 493 PRO A C 1 ATOM 1142 O O . PRO A 1 152 ? 12.131 -7.791 22.036 1.00 25.18 ? 493 PRO A O 1 ATOM 1143 C CB . PRO A 1 152 ? 13.900 -9.456 20.112 1.00 23.93 ? 493 PRO A CB 1 ATOM 1144 C CG . PRO A 1 152 ? 13.540 -9.735 18.660 1.00 23.59 ? 493 PRO A CG 1 ATOM 1145 C CD . PRO A 1 152 ? 12.058 -9.433 18.562 1.00 23.07 ? 493 PRO A CD 1 ATOM 1146 N N . GLY A 1 153 ? 12.692 -9.583 23.309 1.00 24.34 ? 494 GLY A N 1 ATOM 1147 C CA . GLY A 1 153 ? 12.540 -8.872 24.566 1.00 24.13 ? 494 GLY A CA 1 ATOM 1148 C C . GLY A 1 153 ? 11.247 -9.180 25.301 1.00 24.37 ? 494 GLY A C 1 ATOM 1149 O O . GLY A 1 153 ? 11.083 -8.803 26.423 1.00 24.83 ? 494 GLY A O 1 ATOM 1150 N N . ALA A 1 154 ? 10.308 -9.850 24.660 1.00 25.80 ? 495 ALA A N 1 ATOM 1151 C CA . ALA A 1 154 ? 9.112 -10.383 25.308 1.00 26.42 ? 495 ALA A CA 1 ATOM 1152 C C . ALA A 1 154 ? 9.435 -11.717 26.001 1.00 27.70 ? 495 ALA A C 1 ATOM 1153 O O . ALA A 1 154 ? 10.510 -12.262 25.803 1.00 28.52 ? 495 ALA A O 1 ATOM 1154 C CB . ALA A 1 154 ? 8.027 -10.570 24.272 1.00 25.83 ? 495 ALA A CB 1 ATOM 1155 N N . ASP A 1 155 ? 8.512 -12.238 26.806 1.00 29.14 ? 496 ASP A N 1 ATOM 1156 C CA . ASP A 1 155 ? 8.667 -13.516 27.494 1.00 30.50 ? 496 ASP A CA 1 ATOM 1157 C C . ASP A 1 155 ? 8.914 -14.616 26.484 1.00 30.98 ? 496 ASP A C 1 ATOM 1158 O O . ASP A 1 155 ? 8.104 -14.806 25.583 1.00 30.96 ? 496 ASP A O 1 ATOM 1159 C CB . ASP A 1 155 ? 7.378 -13.829 28.266 1.00 31.33 ? 496 ASP A CB 1 ATOM 1160 C CG . ASP A 1 155 ? 7.520 -15.001 29.261 1.00 33.62 ? 496 ASP A CG 1 ATOM 1161 O OD1 . ASP A 1 155 ? 8.403 -15.874 29.121 1.00 35.23 ? 496 ASP A OD1 1 ATOM 1162 O OD2 . ASP A 1 155 ? 6.693 -15.057 30.195 1.00 37.10 ? 496 ASP A OD2 1 ATOM 1163 N N . PRO A 1 156 ? 10.055 -15.332 26.612 1.00 31.82 ? 497 PRO A N 1 ATOM 1164 C CA . PRO A 1 156 ? 10.445 -16.407 25.681 1.00 32.08 ? 497 PRO A CA 1 ATOM 1165 C C . PRO A 1 156 ? 9.371 -17.462 25.499 1.00 33.56 ? 497 PRO A C 1 ATOM 1166 O O . PRO A 1 156 ? 9.263 -18.075 24.431 1.00 34.01 ? 497 PRO A O 1 ATOM 1167 C CB . PRO A 1 156 ? 11.675 -16.995 26.330 1.00 31.44 ? 497 PRO A CB 1 ATOM 1168 C CG . PRO A 1 156 ? 12.254 -15.872 27.113 1.00 31.79 ? 497 PRO A CG 1 ATOM 1169 C CD . PRO A 1 156 ? 11.088 -15.097 27.639 1.00 31.35 ? 497 PRO A CD 1 ATOM 1170 N N . LYS A 1 157 ? 8.557 -17.645 26.522 1.00 35.28 ? 498 LYS A N 1 ATOM 1171 C CA . LYS A 1 157 ? 7.521 -18.644 26.479 1.00 37.35 ? 498 LYS A CA 1 ATOM 1172 C C . LYS A 1 157 ? 6.120 -18.110 26.148 1.00 37.13 ? 498 LYS A C 1 ATOM 1173 O O . LYS A 1 157 ? 5.147 -18.888 26.197 1.00 37.85 ? 498 LYS A O 1 ATOM 1174 C CB . LYS A 1 157 ? 7.493 -19.433 27.798 1.00 38.86 ? 498 LYS A CB 1 ATOM 1175 C CG . LYS A 1 157 ? 8.203 -20.807 27.708 1.00 44.38 ? 498 LYS A CG 1 ATOM 1176 C CD . LYS A 1 157 ? 7.642 -21.671 26.527 1.00 48.09 ? 498 LYS A CD 1 ATOM 1177 C CE . LYS A 1 157 ? 8.151 -23.129 26.511 1.00 46.85 ? 498 LYS A CE 1 ATOM 1178 N NZ . LYS A 1 157 ? 7.443 -23.873 25.383 1.00 50.14 ? 498 LYS A NZ 1 ATOM 1179 N N . SER A 1 158 ? 6.005 -16.812 25.847 1.00 35.66 ? 499 SER A N 1 ATOM 1180 C CA . SER A 1 158 ? 4.764 -16.266 25.338 1.00 34.65 ? 499 SER A CA 1 ATOM 1181 C C . SER A 1 158 ? 4.716 -16.409 23.819 1.00 34.48 ? 499 SER A C 1 ATOM 1182 O O . SER A 1 158 ? 5.732 -16.708 23.180 1.00 34.29 ? 499 SER A O 1 ATOM 1183 C CB . SER A 1 158 ? 4.603 -14.802 25.730 1.00 34.73 ? 499 SER A CB 1 ATOM 1184 O OG . SER A 1 158 ? 5.530 -13.981 25.052 1.00 34.79 ? 499 SER A OG 1 ATOM 1185 N N . ARG A 1 159 ? 3.532 -16.197 23.242 1.00 33.85 ? 500 ARG A N 1 ATOM 1186 C CA . ARG A 1 159 ? 3.360 -16.280 21.795 1.00 33.38 ? 500 ARG A CA 1 ATOM 1187 C C . ARG A 1 159 ? 4.037 -15.097 21.089 1.00 31.61 ? 500 ARG A C 1 ATOM 1188 O O . ARG A 1 159 ? 4.296 -15.147 19.883 1.00 30.86 ? 500 ARG A O 1 ATOM 1189 C CB . ARG A 1 159 ? 1.876 -16.341 21.440 1.00 33.83 ? 500 ARG A CB 1 ATOM 1190 C CG . ARG A 1 159 ? 1.213 -15.026 21.681 1.00 38.91 ? 500 ARG A CG 1 ATOM 1191 C CD . ARG A 1 159 ? -0.141 -14.937 21.024 1.00 46.75 ? 500 ARG A CD 1 ATOM 1192 N NE . ARG A 1 159 ? -1.177 -15.548 21.846 1.00 51.98 ? 500 ARG A NE 1 ATOM 1193 C CZ . ARG A 1 159 ? -2.474 -15.455 21.584 1.00 54.85 ? 500 ARG A CZ 1 ATOM 1194 N NH1 . ARG A 1 159 ? -2.883 -14.776 20.513 1.00 56.11 ? 500 ARG A NH1 1 ATOM 1195 N NH2 . ARG A 1 159 ? -3.359 -16.045 22.386 1.00 55.75 ? 500 ARG A NH2 1 ATOM 1196 N N . LEU A 1 160 ? 4.320 -14.036 21.846 1.00 29.76 ? 501 LEU A N 1 ATOM 1197 C CA . LEU A 1 160 ? 5.176 -12.956 21.347 1.00 28.04 ? 501 LEU A CA 1 ATOM 1198 C C . LEU A 1 160 ? 6.594 -13.403 20.983 1.00 27.04 ? 501 LEU A C 1 ATOM 1199 O O . LEU A 1 160 ? 7.272 -12.700 20.272 1.00 26.75 ? 501 LEU A O 1 ATOM 1200 C CB . LEU A 1 160 ? 5.218 -11.781 22.333 1.00 27.54 ? 501 LEU A CB 1 ATOM 1201 C CG . LEU A 1 160 ? 3.962 -10.904 22.351 1.00 27.90 ? 501 LEU A CG 1 ATOM 1202 C CD1 . LEU A 1 160 ? 4.092 -9.767 23.334 1.00 26.28 ? 501 LEU A CD1 1 ATOM 1203 C CD2 . LEU A 1 160 ? 3.590 -10.350 20.956 1.00 28.56 ? 501 LEU A CD2 1 ATOM 1204 N N . CYS A 1 161 ? 7.055 -14.550 21.481 1.00 26.75 ? 502 CYS A N 1 ATOM 1205 C CA . CYS A 1 161 ? 8.400 -15.068 21.134 1.00 26.13 ? 502 CYS A CA 1 ATOM 1206 C C . CYS A 1 161 ? 8.352 -16.332 20.270 1.00 26.07 ? 502 CYS A C 1 ATOM 1207 O O . CYS A 1 161 ? 9.395 -16.839 19.837 1.00 26.54 ? 502 CYS A O 1 ATOM 1208 C CB . CYS A 1 161 ? 9.247 -15.313 22.389 1.00 25.56 ? 502 CYS A CB 1 ATOM 1209 S SG . CYS A 1 161 ? 9.917 -13.820 23.218 1.00 25.90 ? 502 CYS A SG 1 ATOM 1210 N N . ALA A 1 162 ? 7.149 -16.822 19.980 1.00 25.78 ? 503 ALA A N 1 ATOM 1211 C CA . ALA A 1 162 ? 6.995 -18.140 19.335 1.00 25.59 ? 503 ALA A CA 1 ATOM 1212 C C . ALA A 1 162 ? 7.755 -18.268 18.030 1.00 25.51 ? 503 ALA A C 1 ATOM 1213 O O . ALA A 1 162 ? 8.257 -19.339 17.712 1.00 25.94 ? 503 ALA A O 1 ATOM 1214 C CB . ALA A 1 162 ? 5.527 -18.485 19.126 1.00 25.17 ? 503 ALA A CB 1 ATOM 1215 N N . LEU A 1 163 ? 7.846 -17.181 17.270 1.00 25.67 ? 504 LEU A N 1 ATOM 1216 C CA . LEU A 1 163 ? 8.489 -17.225 15.941 1.00 25.51 ? 504 LEU A CA 1 ATOM 1217 C C . LEU A 1 163 ? 10.005 -16.937 15.965 1.00 25.09 ? 504 LEU A C 1 ATOM 1218 O O . LEU A 1 163 ? 10.672 -17.107 14.918 1.00 25.17 ? 504 LEU A O 1 ATOM 1219 C CB . LEU A 1 163 ? 7.759 -16.305 14.919 1.00 25.30 ? 504 LEU A CB 1 ATOM 1220 C CG . LEU A 1 163 ? 6.260 -16.569 14.649 1.00 27.09 ? 504 LEU A CG 1 ATOM 1221 C CD1 . LEU A 1 163 ? 5.623 -15.468 13.817 1.00 27.30 ? 504 LEU A CD1 1 ATOM 1222 C CD2 . LEU A 1 163 ? 5.970 -17.955 14.008 1.00 26.13 ? 504 LEU A CD2 1 ATOM 1223 N N . CYS A 1 164 ? 10.541 -16.484 17.113 1.00 24.33 ? 505 CYS A N 1 ATOM 1224 C CA . CYS A 1 164 ? 11.991 -16.218 17.213 1.00 24.24 ? 505 CYS A CA 1 ATOM 1225 C C . CYS A 1 164 ? 12.829 -17.504 17.209 1.00 24.69 ? 505 CYS A C 1 ATOM 1226 O O . CYS A 1 164 ? 12.419 -18.555 17.701 1.00 24.36 ? 505 CYS A O 1 ATOM 1227 C CB . CYS A 1 164 ? 12.344 -15.392 18.429 1.00 23.67 ? 505 CYS A CB 1 ATOM 1228 S SG . CYS A 1 164 ? 11.470 -13.812 18.654 1.00 24.43 ? 505 CYS A SG 1 ATOM 1229 N N . ALA A 1 165 ? 14.018 -17.417 16.653 1.00 25.25 ? 506 ALA A N 1 ATOM 1230 C CA . ALA A 1 165 ? 14.785 -18.609 16.418 1.00 26.15 ? 506 ALA A CA 1 ATOM 1231 C C . ALA A 1 165 ? 16.109 -18.695 17.218 1.00 27.22 ? 506 ALA A C 1 ATOM 1232 O O . ALA A 1 165 ? 16.882 -19.644 17.022 1.00 28.61 ? 506 ALA A O 1 ATOM 1233 C CB . ALA A 1 165 ? 15.039 -18.757 14.904 1.00 25.43 ? 506 ALA A CB 1 ATOM 1234 N N . GLY A 1 166 ? 16.394 -17.742 18.098 1.00 27.38 ? 507 GLY A N 1 ATOM 1235 C CA . GLY A 1 166 ? 17.670 -17.778 18.812 1.00 29.05 ? 507 GLY A CA 1 ATOM 1236 C C . GLY A 1 166 ? 18.874 -17.797 17.881 1.00 30.42 ? 507 GLY A C 1 ATOM 1237 O O . GLY A 1 166 ? 18.770 -17.399 16.725 1.00 29.65 ? 507 GLY A O 1 ATOM 1238 N N . ASP A 1 167 ? 20.015 -18.266 18.380 1.00 32.34 ? 508 ASP A N 1 ATOM 1239 C CA . ASP A 1 167 ? 21.263 -18.214 17.619 1.00 34.67 ? 508 ASP A CA 1 ATOM 1240 C C . ASP A 1 167 ? 21.511 -19.514 16.858 1.00 36.31 ? 508 ASP A C 1 ATOM 1241 O O . ASP A 1 167 ? 20.594 -20.337 16.711 1.00 36.16 ? 508 ASP A O 1 ATOM 1242 C CB . ASP A 1 167 ? 22.455 -17.816 18.518 1.00 34.50 ? 508 ASP A CB 1 ATOM 1243 C CG . ASP A 1 167 ? 22.890 -18.926 19.500 1.00 36.53 ? 508 ASP A CG 1 ATOM 1244 O OD1 . ASP A 1 167 ? 22.160 -19.945 19.711 1.00 35.28 ? 508 ASP A OD1 1 ATOM 1245 O OD2 . ASP A 1 167 ? 24.002 -18.763 20.069 1.00 37.31 ? 508 ASP A OD2 1 ATOM 1246 N N . ASP A 1 168 ? 22.744 -19.706 16.389 1.00 38.98 ? 509 ASP A N 1 ATOM 1247 C CA . ASP A 1 168 ? 23.064 -20.866 15.541 1.00 41.91 ? 509 ASP A CA 1 ATOM 1248 C C . ASP A 1 168 ? 22.889 -22.193 16.246 1.00 42.64 ? 509 ASP A C 1 ATOM 1249 O O . ASP A 1 168 ? 22.563 -23.174 15.609 1.00 43.46 ? 509 ASP A O 1 ATOM 1250 C CB . ASP A 1 168 ? 24.469 -20.774 14.930 1.00 42.90 ? 509 ASP A CB 1 ATOM 1251 C CG . ASP A 1 168 ? 25.567 -20.483 15.963 1.00 46.90 ? 509 ASP A CG 1 ATOM 1252 O OD1 . ASP A 1 168 ? 25.509 -20.997 17.118 1.00 51.13 ? 509 ASP A OD1 1 ATOM 1253 O OD2 . ASP A 1 168 ? 26.524 -19.751 15.585 1.00 50.92 ? 509 ASP A OD2 1 ATOM 1254 N N . GLN A 1 169 ? 23.103 -22.218 17.560 1.00 43.48 ? 510 GLN A N 1 ATOM 1255 C CA . GLN A 1 169 ? 22.861 -23.406 18.361 1.00 43.93 ? 510 GLN A CA 1 ATOM 1256 C C . GLN A 1 169 ? 21.412 -23.419 18.828 1.00 43.41 ? 510 GLN A C 1 ATOM 1257 O O . GLN A 1 169 ? 21.045 -24.250 19.662 1.00 44.18 ? 510 GLN A O 1 ATOM 1258 C CB . GLN A 1 169 ? 23.760 -23.367 19.599 1.00 44.90 ? 510 GLN A CB 1 ATOM 1259 C CG . GLN A 1 169 ? 25.174 -23.946 19.455 1.00 48.70 ? 510 GLN A CG 1 ATOM 1260 C CD . GLN A 1 169 ? 25.379 -25.235 20.291 1.00 53.04 ? 510 GLN A CD 1 ATOM 1261 O OE1 . GLN A 1 169 ? 24.411 -25.927 20.672 1.00 54.34 ? 510 GLN A OE1 1 ATOM 1262 N NE2 . GLN A 1 169 ? 26.645 -25.549 20.587 1.00 53.95 ? 510 GLN A NE2 1 ATOM 1263 N N . GLY A 1 170 ? 20.595 -22.483 18.350 1.00 42.18 ? 511 GLY A N 1 ATOM 1264 C CA . GLY A 1 170 ? 19.259 -22.301 18.903 1.00 40.97 ? 511 GLY A CA 1 ATOM 1265 C C . GLY A 1 170 ? 19.196 -21.862 20.371 1.00 40.80 ? 511 GLY A C 1 ATOM 1266 O O . GLY A 1 170 ? 18.154 -22.040 21.026 1.00 41.52 ? 511 GLY A O 1 ATOM 1267 N N . LEU A 1 171 ? 20.281 -21.293 20.913 1.00 39.20 ? 512 LEU A N 1 ATOM 1268 C CA . LEU A 1 171 ? 20.240 -20.752 22.274 1.00 37.60 ? 512 LEU A CA 1 ATOM 1269 C C . LEU A 1 171 ? 19.835 -19.301 22.187 1.00 37.11 ? 512 LEU A C 1 ATOM 1270 O O . LEU A 1 171 ? 19.915 -18.693 21.119 1.00 37.81 ? 512 LEU A O 1 ATOM 1271 C CB . LEU A 1 171 ? 21.604 -20.865 22.973 1.00 37.71 ? 512 LEU A CB 1 ATOM 1272 C CG . LEU A 1 171 ? 22.260 -22.247 23.139 1.00 37.20 ? 512 LEU A CG 1 ATOM 1273 C CD1 . LEU A 1 171 ? 23.479 -22.159 24.007 1.00 35.39 ? 512 LEU A CD1 1 ATOM 1274 C CD2 . LEU A 1 171 ? 21.279 -23.230 23.718 1.00 37.51 ? 512 LEU A CD2 1 ATOM 1275 N N . ASP A 1 172 ? 19.411 -18.732 23.304 1.00 35.72 ? 513 ASP A N 1 ATOM 1276 C CA . ASP A 1 172 ? 19.086 -17.317 23.355 1.00 34.77 ? 513 ASP A CA 1 ATOM 1277 C C . ASP A 1 172 ? 17.816 -16.874 22.616 1.00 33.52 ? 513 ASP A C 1 ATOM 1278 O O . ASP A 1 172 ? 17.688 -15.695 22.262 1.00 33.89 ? 513 ASP A O 1 ATOM 1279 C CB . ASP A 1 172 ? 20.288 -16.487 22.922 1.00 35.00 ? 513 ASP A CB 1 ATOM 1280 C CG . ASP A 1 172 ? 21.174 -16.127 24.078 1.00 37.96 ? 513 ASP A CG 1 ATOM 1281 O OD1 . ASP A 1 172 ? 20.786 -16.389 25.234 1.00 44.30 ? 513 ASP A OD1 1 ATOM 1282 O OD2 . ASP A 1 172 ? 22.268 -15.577 23.865 1.00 41.19 ? 513 ASP A OD2 1 ATOM 1283 N N . LYS A 1 173 ? 16.861 -17.785 22.434 1.00 31.81 ? 514 LYS A N 1 ATOM 1284 C CA . LYS A 1 173 ? 15.620 -17.467 21.722 1.00 30.68 ? 514 LYS A CA 1 ATOM 1285 C C . LYS A 1 173 ? 15.018 -16.200 22.267 1.00 28.97 ? 514 LYS A C 1 ATOM 1286 O O . LYS A 1 173 ? 14.863 -16.050 23.481 1.00 29.32 ? 514 LYS A O 1 ATOM 1287 C CB . LYS A 1 173 ? 14.588 -18.603 21.790 1.00 30.11 ? 514 LYS A CB 1 ATOM 1288 C CG . LYS A 1 173 ? 13.411 -18.353 20.840 1.00 32.08 ? 514 LYS A CG 1 ATOM 1289 C CD . LYS A 1 173 ? 12.152 -19.157 21.126 1.00 33.48 ? 514 LYS A CD 1 ATOM 1290 C CE . LYS A 1 173 ? 12.439 -20.662 21.052 1.00 40.42 ? 514 LYS A CE 1 ATOM 1291 N NZ . LYS A 1 173 ? 13.399 -21.121 19.957 1.00 41.06 ? 514 LYS A NZ 1 ATOM 1292 N N . CYS A 1 174 ? 14.707 -15.274 21.372 1.00 27.10 ? 515 CYS A N 1 ATOM 1293 C CA . CYS A 1 174 ? 14.040 -14.018 21.740 1.00 25.09 ? 515 CYS A CA 1 ATOM 1294 C C . CYS A 1 174 ? 14.872 -12.978 22.509 1.00 25.20 ? 515 CYS A C 1 ATOM 1295 O O . CYS A 1 174 ? 14.293 -12.008 23.019 1.00 24.00 ? 515 CYS A O 1 ATOM 1296 C CB . CYS A 1 174 ? 12.761 -14.318 22.502 1.00 24.89 ? 515 CYS A CB 1 ATOM 1297 S SG . CYS A 1 174 ? 11.425 -13.276 22.005 1.00 21.70 ? 515 CYS A SG 1 ATOM 1298 N N . VAL A 1 175 ? 16.208 -13.139 22.584 1.00 25.37 ? 516 VAL A N 1 ATOM 1299 C CA . VAL A 1 175 ? 17.011 -12.107 23.273 1.00 26.19 ? 516 VAL A CA 1 ATOM 1300 C C . VAL A 1 175 ? 17.011 -10.840 22.459 1.00 25.34 ? 516 VAL A C 1 ATOM 1301 O O . VAL A 1 175 ? 17.100 -10.896 21.244 1.00 25.65 ? 516 VAL A O 1 ATOM 1302 C CB . VAL A 1 175 ? 18.481 -12.507 23.618 1.00 26.37 ? 516 VAL A CB 1 ATOM 1303 C CG1 . VAL A 1 175 ? 18.498 -13.574 24.631 1.00 28.24 ? 516 VAL A CG1 1 ATOM 1304 C CG2 . VAL A 1 175 ? 19.292 -12.942 22.367 1.00 29.22 ? 516 VAL A CG2 1 ATOM 1305 N N . PRO A 1 176 ? 16.910 -9.687 23.121 1.00 25.30 ? 517 PRO A N 1 ATOM 1306 C CA . PRO A 1 176 ? 16.883 -8.442 22.357 1.00 25.34 ? 517 PRO A CA 1 ATOM 1307 C C . PRO A 1 176 ? 18.271 -7.984 22.026 1.00 25.48 ? 517 PRO A C 1 ATOM 1308 O O . PRO A 1 176 ? 18.716 -6.949 22.528 1.00 26.86 ? 517 PRO A O 1 ATOM 1309 C CB . PRO A 1 176 ? 16.211 -7.451 23.307 1.00 25.41 ? 517 PRO A CB 1 ATOM 1310 C CG . PRO A 1 176 ? 16.368 -8.013 24.673 1.00 25.00 ? 517 PRO A CG 1 ATOM 1311 C CD . PRO A 1 176 ? 16.795 -9.462 24.573 1.00 25.40 ? 517 PRO A CD 1 ATOM 1312 N N . ASN A 1 177 ? 18.974 -8.779 21.235 1.00 25.34 ? 518 ASN A N 1 ATOM 1313 C CA . ASN A 1 177 ? 20.254 -8.372 20.644 1.00 25.44 ? 518 ASN A CA 1 ATOM 1314 C C . ASN A 1 177 ? 20.511 -9.249 19.455 1.00 25.65 ? 518 ASN A C 1 ATOM 1315 O O . ASN A 1 177 ? 19.729 -10.167 19.188 1.00 26.04 ? 518 ASN A O 1 ATOM 1316 C CB . ASN A 1 177 ? 21.435 -8.389 21.645 1.00 25.09 ? 518 ASN A CB 1 ATOM 1317 C CG . ASN A 1 177 ? 21.880 -9.770 22.023 1.00 23.51 ? 518 ASN A CG 1 ATOM 1318 O OD1 . ASN A 1 177 ? 22.198 -10.593 21.183 1.00 25.50 ? 518 ASN A OD1 1 ATOM 1319 N ND2 . ASN A 1 177 ? 21.924 -10.027 23.298 1.00 23.40 ? 518 ASN A ND2 1 ATOM 1320 N N . SER A 1 178 ? 21.604 -8.987 18.753 1.00 26.13 ? 519 SER A N 1 ATOM 1321 C CA . SER A 1 178 ? 21.804 -9.601 17.451 1.00 27.12 ? 519 SER A CA 1 ATOM 1322 C C . SER A 1 178 ? 22.178 -11.079 17.496 1.00 27.52 ? 519 SER A C 1 ATOM 1323 O O . SER A 1 178 ? 22.391 -11.652 16.443 1.00 28.46 ? 519 SER A O 1 ATOM 1324 C CB . SER A 1 178 ? 22.826 -8.826 16.618 1.00 26.56 ? 519 SER A CB 1 ATOM 1325 O OG . SER A 1 178 ? 24.126 -9.017 17.153 1.00 27.44 ? 519 SER A OG 1 ATOM 1326 N N . LYS A 1 179 ? 22.298 -11.692 18.671 1.00 27.75 ? 520 LYS A N 1 ATOM 1327 C CA . LYS A 1 179 ? 22.443 -13.157 18.710 1.00 29.02 ? 520 LYS A CA 1 ATOM 1328 C C . LYS A 1 179 ? 21.156 -13.811 18.188 1.00 28.30 ? 520 LYS A C 1 ATOM 1329 O O . LYS A 1 179 ? 21.205 -14.898 17.620 1.00 28.36 ? 520 LYS A O 1 ATOM 1330 C CB . LYS A 1 179 ? 22.666 -13.719 20.112 1.00 29.73 ? 520 LYS A CB 1 ATOM 1331 C CG . LYS A 1 179 ? 23.887 -13.317 20.848 1.00 33.10 ? 520 LYS A CG 1 ATOM 1332 C CD . LYS A 1 179 ? 24.018 -14.310 22.014 1.00 38.90 ? 520 LYS A CD 1 ATOM 1333 C CE . LYS A 1 179 ? 24.387 -13.676 23.380 1.00 43.84 ? 520 LYS A CE 1 ATOM 1334 N NZ . LYS A 1 179 ? 23.277 -12.934 24.134 1.00 43.86 ? 520 LYS A NZ 1 ATOM 1335 N N . GLU A 1 180 ? 20.019 -13.168 18.452 1.00 27.93 ? 521 GLU A N 1 ATOM 1336 C CA . GLU A 1 180 ? 18.708 -13.568 17.922 1.00 27.89 ? 521 GLU A CA 1 ATOM 1337 C C . GLU A 1 180 ? 18.707 -13.343 16.371 1.00 27.94 ? 521 GLU A C 1 ATOM 1338 O O . GLU A 1 180 ? 19.185 -12.294 15.866 1.00 28.38 ? 521 GLU A O 1 ATOM 1339 C CB . GLU A 1 180 ? 17.576 -12.794 18.652 1.00 27.00 ? 521 GLU A CB 1 ATOM 1340 C CG . GLU A 1 180 ? 16.174 -12.833 18.031 1.00 26.64 ? 521 GLU A CG 1 ATOM 1341 C CD . GLU A 1 180 ? 15.605 -14.247 17.859 1.00 28.07 ? 521 GLU A CD 1 ATOM 1342 O OE1 . GLU A 1 180 ? 15.428 -14.975 18.861 1.00 27.81 ? 521 GLU A OE1 1 ATOM 1343 O OE2 . GLU A 1 180 ? 15.331 -14.649 16.704 1.00 29.01 ? 521 GLU A OE2 1 ATOM 1344 N N . LYS A 1 181 ? 18.223 -14.341 15.635 1.00 26.44 ? 522 LYS A N 1 ATOM 1345 C CA . LYS A 1 181 ? 18.246 -14.313 14.192 1.00 26.60 ? 522 LYS A CA 1 ATOM 1346 C C . LYS A 1 181 ? 17.296 -13.225 13.630 1.00 26.56 ? 522 LYS A C 1 ATOM 1347 O O . LYS A 1 181 ? 17.629 -12.553 12.662 1.00 26.97 ? 522 LYS A O 1 ATOM 1348 C CB . LYS A 1 181 ? 17.803 -15.685 13.712 1.00 26.87 ? 522 LYS A CB 1 ATOM 1349 C CG . LYS A 1 181 ? 17.987 -15.997 12.271 1.00 28.32 ? 522 LYS A CG 1 ATOM 1350 C CD . LYS A 1 181 ? 17.381 -17.359 11.992 1.00 32.01 ? 522 LYS A CD 1 ATOM 1351 C CE . LYS A 1 181 ? 17.898 -17.936 10.675 1.00 35.12 ? 522 LYS A CE 1 ATOM 1352 N NZ . LYS A 1 181 ? 17.172 -19.215 10.224 1.00 38.62 ? 522 LYS A NZ 1 ATOM 1353 N N . TYR A 1 182 ? 16.117 -13.080 14.242 1.00 25.65 ? 523 TYR A N 1 ATOM 1354 C CA . TYR A 1 182 ? 15.018 -12.281 13.691 1.00 24.50 ? 523 TYR A CA 1 ATOM 1355 C C . TYR A 1 182 ? 14.980 -10.970 14.501 1.00 24.37 ? 523 TYR A C 1 ATOM 1356 O O . TYR A 1 182 ? 13.949 -10.320 14.720 1.00 24.68 ? 523 TYR A O 1 ATOM 1357 C CB . TYR A 1 182 ? 13.691 -13.087 13.702 1.00 24.05 ? 523 TYR A CB 1 ATOM 1358 C CG . TYR A 1 182 ? 13.726 -14.286 12.795 1.00 24.19 ? 523 TYR A CG 1 ATOM 1359 C CD1 . TYR A 1 182 ? 14.383 -14.240 11.574 1.00 25.13 ? 523 TYR A CD1 1 ATOM 1360 C CD2 . TYR A 1 182 ? 13.087 -15.466 13.156 1.00 24.86 ? 523 TYR A CD2 1 ATOM 1361 C CE1 . TYR A 1 182 ? 14.398 -15.352 10.751 1.00 23.88 ? 523 TYR A CE1 1 ATOM 1362 C CE2 . TYR A 1 182 ? 13.100 -16.554 12.324 1.00 22.45 ? 523 TYR A CE2 1 ATOM 1363 C CZ . TYR A 1 182 ? 13.751 -16.493 11.143 1.00 22.88 ? 523 TYR A CZ 1 ATOM 1364 O OH . TYR A 1 182 ? 13.751 -17.611 10.367 1.00 22.07 ? 523 TYR A OH 1 ATOM 1365 N N . TYR A 1 183 ? 16.157 -10.571 14.945 1.00 23.22 ? 524 TYR A N 1 ATOM 1366 C CA . TYR A 1 183 ? 16.293 -9.383 15.775 1.00 22.75 ? 524 TYR A CA 1 ATOM 1367 C C . TYR A 1 183 ? 16.631 -8.095 14.991 1.00 23.06 ? 524 TYR A C 1 ATOM 1368 O O . TYR A 1 183 ? 17.461 -8.117 14.071 1.00 24.33 ? 524 TYR A O 1 ATOM 1369 C CB . TYR A 1 183 ? 17.407 -9.598 16.791 1.00 22.12 ? 524 TYR A CB 1 ATOM 1370 C CG . TYR A 1 183 ? 17.683 -8.303 17.506 1.00 20.22 ? 524 TYR A CG 1 ATOM 1371 C CD1 . TYR A 1 183 ? 16.866 -7.892 18.537 1.00 19.93 ? 524 TYR A CD1 1 ATOM 1372 C CD2 . TYR A 1 183 ? 18.710 -7.445 17.110 1.00 20.18 ? 524 TYR A CD2 1 ATOM 1373 C CE1 . TYR A 1 183 ? 17.046 -6.668 19.193 1.00 20.59 ? 524 TYR A CE1 1 ATOM 1374 C CE2 . TYR A 1 183 ? 18.926 -6.196 17.757 1.00 20.54 ? 524 TYR A CE2 1 ATOM 1375 C CZ . TYR A 1 183 ? 18.063 -5.828 18.805 1.00 19.09 ? 524 TYR A CZ 1 ATOM 1376 O OH . TYR A 1 183 ? 18.173 -4.635 19.474 1.00 21.65 ? 524 TYR A OH 1 ATOM 1377 N N . GLY A 1 184 ? 16.011 -6.972 15.346 1.00 22.67 ? 525 GLY A N 1 ATOM 1378 C CA . GLY A 1 184 ? 16.342 -5.688 14.708 1.00 23.54 ? 525 GLY A CA 1 ATOM 1379 C C . GLY A 1 184 ? 15.773 -5.485 13.296 1.00 24.28 ? 525 GLY A C 1 ATOM 1380 O O . GLY A 1 184 ? 14.949 -6.284 12.816 1.00 24.56 ? 525 GLY A O 1 ATOM 1381 N N . TYR A 1 185 ? 16.182 -4.411 12.616 1.00 24.16 ? 526 TYR A N 1 ATOM 1382 C CA . TYR A 1 185 ? 15.589 -4.101 11.307 1.00 23.85 ? 526 TYR A CA 1 ATOM 1383 C C . TYR A 1 185 ? 15.822 -5.254 10.308 1.00 24.37 ? 526 TYR A C 1 ATOM 1384 O O . TYR A 1 185 ? 14.883 -5.702 9.639 1.00 25.37 ? 526 TYR A O 1 ATOM 1385 C CB . TYR A 1 185 ? 16.092 -2.780 10.730 1.00 22.73 ? 526 TYR A CB 1 ATOM 1386 C CG . TYR A 1 185 ? 15.728 -1.506 11.461 1.00 20.99 ? 526 TYR A CG 1 ATOM 1387 C CD1 . TYR A 1 185 ? 14.399 -1.082 11.580 1.00 19.71 ? 526 TYR A CD1 1 ATOM 1388 C CD2 . TYR A 1 185 ? 16.737 -0.669 11.959 1.00 19.08 ? 526 TYR A CD2 1 ATOM 1389 C CE1 . TYR A 1 185 ? 14.091 0.135 12.219 1.00 19.42 ? 526 TYR A CE1 1 ATOM 1390 C CE2 . TYR A 1 185 ? 16.439 0.497 12.591 1.00 19.52 ? 526 TYR A CE2 1 ATOM 1391 C CZ . TYR A 1 185 ? 15.118 0.921 12.713 1.00 21.05 ? 526 TYR A CZ 1 ATOM 1392 O OH . TYR A 1 185 ? 14.860 2.117 13.385 1.00 21.38 ? 526 TYR A OH 1 ATOM 1393 N N . THR A 1 186 ? 17.048 -5.749 10.225 1.00 24.57 ? 527 THR A N 1 ATOM 1394 C CA . THR A 1 186 ? 17.358 -6.873 9.336 1.00 26.44 ? 527 THR A CA 1 ATOM 1395 C C . THR A 1 186 ? 16.758 -8.222 9.760 1.00 26.33 ? 527 THR A C 1 ATOM 1396 O O . THR A 1 186 ? 16.316 -8.984 8.904 1.00 26.60 ? 527 THR A O 1 ATOM 1397 C CB . THR A 1 186 ? 18.871 -7.101 9.187 1.00 26.78 ? 527 THR A CB 1 ATOM 1398 O OG1 . THR A 1 186 ? 19.543 -5.843 9.190 1.00 29.05 ? 527 THR A OG1 1 ATOM 1399 C CG2 . THR A 1 186 ? 19.173 -7.802 7.878 1.00 27.02 ? 527 THR A CG2 1 ATOM 1400 N N . GLY A 1 187 ? 16.775 -8.527 11.062 1.00 26.19 ? 528 GLY A N 1 ATOM 1401 C CA . GLY A 1 187 ? 16.117 -9.724 11.582 1.00 25.31 ? 528 GLY A CA 1 ATOM 1402 C C . GLY A 1 187 ? 14.619 -9.761 11.314 1.00 24.96 ? 528 GLY A C 1 ATOM 1403 O O . GLY A 1 187 ? 14.113 -10.743 10.778 1.00 24.89 ? 528 GLY A O 1 ATOM 1404 N N . ALA A 1 188 ? 13.911 -8.695 11.677 1.00 24.24 ? 529 ALA A N 1 ATOM 1405 C CA . ALA A 1 188 ? 12.472 -8.599 11.395 1.00 24.11 ? 529 ALA A CA 1 ATOM 1406 C C . ALA A 1 188 ? 12.150 -8.729 9.910 1.00 23.98 ? 529 ALA A C 1 ATOM 1407 O O . ALA A 1 188 ? 11.177 -9.363 9.562 1.00 24.62 ? 529 ALA A O 1 ATOM 1408 C CB . ALA A 1 188 ? 11.851 -7.322 11.969 1.00 23.24 ? 529 ALA A CB 1 ATOM 1409 N N . PHE A 1 189 ? 12.949 -8.153 9.029 1.00 23.59 ? 530 PHE A N 1 ATOM 1410 C CA . PHE A 1 189 ? 12.642 -8.284 7.621 1.00 23.77 ? 530 PHE A CA 1 ATOM 1411 C C . PHE A 1 189 ? 12.920 -9.718 7.124 1.00 24.72 ? 530 PHE A C 1 ATOM 1412 O O . PHE A 1 189 ? 12.198 -10.236 6.237 1.00 25.03 ? 530 PHE A O 1 ATOM 1413 C CB . PHE A 1 189 ? 13.431 -7.263 6.805 1.00 23.51 ? 530 PHE A CB 1 ATOM 1414 C CG . PHE A 1 189 ? 13.122 -7.291 5.335 1.00 21.76 ? 530 PHE A CG 1 ATOM 1415 C CD1 . PHE A 1 189 ? 11.885 -6.862 4.862 1.00 20.12 ? 530 PHE A CD1 1 ATOM 1416 C CD2 . PHE A 1 189 ? 14.067 -7.738 4.428 1.00 21.00 ? 530 PHE A CD2 1 ATOM 1417 C CE1 . PHE A 1 189 ? 11.584 -6.889 3.499 1.00 19.98 ? 530 PHE A CE1 1 ATOM 1418 C CE2 . PHE A 1 189 ? 13.773 -7.777 3.045 1.00 21.84 ? 530 PHE A CE2 1 ATOM 1419 C CZ . PHE A 1 189 ? 12.530 -7.347 2.582 1.00 20.18 ? 530 PHE A CZ 1 ATOM 1420 N N . ARG A 1 190 ? 13.949 -10.350 7.702 1.00 24.48 ? 531 ARG A N 1 ATOM 1421 C CA . ARG A 1 190 ? 14.376 -11.674 7.300 1.00 24.54 ? 531 ARG A CA 1 ATOM 1422 C C . ARG A 1 190 ? 13.275 -12.621 7.702 1.00 24.73 ? 531 ARG A C 1 ATOM 1423 O O . ARG A 1 190 ? 13.000 -13.624 7.052 1.00 25.22 ? 531 ARG A O 1 ATOM 1424 C CB . ARG A 1 190 ? 15.689 -12.052 7.981 1.00 24.69 ? 531 ARG A CB 1 ATOM 1425 C CG . ARG A 1 190 ? 15.978 -13.518 7.868 1.00 25.97 ? 531 ARG A CG 1 ATOM 1426 C CD . ARG A 1 190 ? 17.250 -13.902 8.507 1.00 27.86 ? 531 ARG A CD 1 ATOM 1427 N NE . ARG A 1 190 ? 17.707 -15.205 8.020 1.00 29.92 ? 531 ARG A NE 1 ATOM 1428 C CZ . ARG A 1 190 ? 18.919 -15.718 8.247 1.00 29.84 ? 531 ARG A CZ 1 ATOM 1429 N NH1 . ARG A 1 190 ? 19.819 -15.065 8.983 1.00 27.61 ? 531 ARG A NH1 1 ATOM 1430 N NH2 . ARG A 1 190 ? 19.228 -16.896 7.733 1.00 30.19 ? 531 ARG A NH2 1 ATOM 1431 N N . CYS A 1 191 ? 12.603 -12.247 8.770 1.00 25.59 ? 532 CYS A N 1 ATOM 1432 C CA . CYS A 1 191 ? 11.559 -13.049 9.379 1.00 25.99 ? 532 CYS A CA 1 ATOM 1433 C C . CYS A 1 191 ? 10.388 -13.135 8.400 1.00 26.78 ? 532 CYS A C 1 ATOM 1434 O O . CYS A 1 191 ? 9.785 -14.208 8.225 1.00 27.48 ? 532 CYS A O 1 ATOM 1435 C CB . CYS A 1 191 ? 11.174 -12.394 10.712 1.00 25.71 ? 532 CYS A CB 1 ATOM 1436 S SG . CYS A 1 191 ? 9.644 -12.927 11.469 1.00 25.57 ? 532 CYS A SG 1 ATOM 1437 N N . LEU A 1 192 ? 10.076 -12.001 7.765 1.00 27.13 ? 533 LEU A N 1 ATOM 1438 C CA . LEU A 1 192 ? 9.045 -11.931 6.748 1.00 27.21 ? 533 LEU A CA 1 ATOM 1439 C C . LEU A 1 192 ? 9.560 -12.640 5.503 1.00 28.57 ? 533 LEU A C 1 ATOM 1440 O O . LEU A 1 192 ? 8.842 -13.424 4.875 1.00 28.76 ? 533 LEU A O 1 ATOM 1441 C CB . LEU A 1 192 ? 8.731 -10.474 6.395 1.00 26.94 ? 533 LEU A CB 1 ATOM 1442 C CG . LEU A 1 192 ? 7.735 -10.223 5.244 1.00 25.90 ? 533 LEU A CG 1 ATOM 1443 C CD1 . LEU A 1 192 ? 6.291 -10.567 5.592 1.00 22.22 ? 533 LEU A CD1 1 ATOM 1444 C CD2 . LEU A 1 192 ? 7.821 -8.798 4.743 1.00 26.19 ? 533 LEU A CD2 1 ATOM 1445 N N . ALA A 1 193 ? 10.811 -12.360 5.152 1.00 29.32 ? 534 ALA A N 1 ATOM 1446 C CA . ALA A 1 193 ? 11.359 -12.807 3.883 1.00 30.22 ? 534 ALA A CA 1 ATOM 1447 C C . ALA A 1 193 ? 11.383 -14.319 3.780 1.00 30.84 ? 534 ALA A C 1 ATOM 1448 O O . ALA A 1 193 ? 11.316 -14.853 2.679 1.00 31.62 ? 534 ALA A O 1 ATOM 1449 C CB . ALA A 1 193 ? 12.768 -12.223 3.653 1.00 30.25 ? 534 ALA A CB 1 ATOM 1450 N N . GLU A 1 194 ? 11.472 -15.017 4.913 1.00 31.23 ? 535 GLU A N 1 ATOM 1451 C CA . GLU A 1 194 ? 11.494 -16.494 4.901 1.00 30.75 ? 535 GLU A CA 1 ATOM 1452 C C . GLU A 1 194 ? 10.112 -17.025 5.215 1.00 31.07 ? 535 GLU A C 1 ATOM 1453 O O . GLU A 1 194 ? 9.912 -18.226 5.444 1.00 31.36 ? 535 GLU A O 1 ATOM 1454 C CB . GLU A 1 194 ? 12.494 -17.021 5.908 1.00 30.00 ? 535 GLU A CB 1 ATOM 1455 C CG . GLU A 1 194 ? 13.822 -16.409 5.745 1.00 31.23 ? 535 GLU A CG 1 ATOM 1456 C CD . GLU A 1 194 ? 14.833 -16.908 6.736 1.00 35.36 ? 535 GLU A CD 1 ATOM 1457 O OE1 . GLU A 1 194 ? 14.452 -17.436 7.811 1.00 37.16 ? 535 GLU A OE1 1 ATOM 1458 O OE2 . GLU A 1 194 ? 16.039 -16.759 6.444 1.00 38.17 ? 535 GLU A OE2 1 ATOM 1459 N N . ASP A 1 195 ? 9.154 -16.111 5.255 1.00 31.16 ? 536 ASP A N 1 ATOM 1460 C CA . ASP A 1 195 ? 7.747 -16.477 5.414 1.00 31.83 ? 536 ASP A CA 1 ATOM 1461 C C . ASP A 1 195 ? 7.469 -17.110 6.744 1.00 31.25 ? 536 ASP A C 1 ATOM 1462 O O . ASP A 1 195 ? 6.562 -17.931 6.859 1.00 31.96 ? 536 ASP A O 1 ATOM 1463 C CB . ASP A 1 195 ? 7.262 -17.379 4.263 1.00 31.92 ? 536 ASP A CB 1 ATOM 1464 C CG . ASP A 1 195 ? 7.240 -16.643 2.939 1.00 32.92 ? 536 ASP A CG 1 ATOM 1465 O OD1 . ASP A 1 195 ? 6.629 -15.555 2.853 1.00 31.66 ? 536 ASP A OD1 1 ATOM 1466 O OD2 . ASP A 1 195 ? 7.881 -17.139 1.992 1.00 36.82 ? 536 ASP A OD2 1 ATOM 1467 N N . VAL A 1 196 ? 8.254 -16.712 7.745 1.00 30.38 ? 537 VAL A N 1 ATOM 1468 C CA . VAL A 1 196 ? 8.001 -17.111 9.132 1.00 29.04 ? 537 VAL A CA 1 ATOM 1469 C C . VAL A 1 196 ? 6.816 -16.285 9.638 1.00 28.40 ? 537 VAL A C 1 ATOM 1470 O O . VAL A 1 196 ? 5.914 -16.827 10.254 1.00 28.59 ? 537 VAL A O 1 ATOM 1471 C CB . VAL A 1 196 ? 9.278 -16.972 10.024 1.00 28.93 ? 537 VAL A CB 1 ATOM 1472 C CG1 . VAL A 1 196 ? 8.966 -17.123 11.495 1.00 27.79 ? 537 VAL A CG1 1 ATOM 1473 C CG2 . VAL A 1 196 ? 10.330 -17.974 9.595 1.00 27.36 ? 537 VAL A CG2 1 ATOM 1474 N N . GLY A 1 197 ? 6.811 -14.981 9.353 1.00 27.61 ? 538 GLY A N 1 ATOM 1475 C CA . GLY A 1 197 ? 5.668 -14.131 9.676 1.00 25.73 ? 538 GLY A CA 1 ATOM 1476 C C . GLY A 1 197 ? 4.960 -13.628 8.443 1.00 25.09 ? 538 GLY A C 1 ATOM 1477 O O . GLY A 1 197 ? 5.447 -13.740 7.331 1.00 24.06 ? 538 GLY A O 1 ATOM 1478 N N . ASP A 1 198 ? 3.788 -13.058 8.645 1.00 25.90 ? 539 ASP A N 1 ATOM 1479 C CA . ASP A 1 198 ? 3.028 -12.434 7.556 1.00 26.27 ? 539 ASP A CA 1 ATOM 1480 C C . ASP A 1 198 ? 3.339 -10.961 7.346 1.00 26.14 ? 539 ASP A C 1 ATOM 1481 O O . ASP A 1 198 ? 3.176 -10.448 6.247 1.00 27.15 ? 539 ASP A O 1 ATOM 1482 C CB . ASP A 1 198 ? 1.562 -12.585 7.848 1.00 26.29 ? 539 ASP A CB 1 ATOM 1483 C CG . ASP A 1 198 ? 1.151 -14.029 7.910 1.00 27.82 ? 539 ASP A CG 1 ATOM 1484 O OD1 . ASP A 1 198 ? 1.394 -14.723 6.876 1.00 29.56 ? 539 ASP A OD1 1 ATOM 1485 O OD2 . ASP A 1 198 ? 0.593 -14.450 8.970 1.00 26.22 ? 539 ASP A OD2 1 ATOM 1486 N N . VAL A 1 199 ? 3.802 -10.295 8.401 1.00 25.86 ? 540 VAL A N 1 ATOM 1487 C CA . VAL A 1 199 ? 4.072 -8.854 8.392 1.00 24.66 ? 540 VAL A CA 1 ATOM 1488 C C . VAL A 1 199 ? 5.268 -8.508 9.278 1.00 24.87 ? 540 VAL A C 1 ATOM 1489 O O . VAL A 1 199 ? 5.499 -9.143 10.327 1.00 25.70 ? 540 VAL A O 1 ATOM 1490 C CB . VAL A 1 199 ? 2.809 -8.032 8.789 1.00 24.44 ? 540 VAL A CB 1 ATOM 1491 C CG1 . VAL A 1 199 ? 2.170 -8.546 10.099 1.00 21.85 ? 540 VAL A CG1 1 ATOM 1492 C CG2 . VAL A 1 199 ? 3.110 -6.537 8.802 1.00 23.96 ? 540 VAL A CG2 1 ATOM 1493 N N . ALA A 1 200 ? 6.027 -7.517 8.823 1.00 23.99 ? 541 ALA A N 1 ATOM 1494 C CA . ALA A 1 200 ? 7.246 -7.079 9.458 1.00 23.47 ? 541 ALA A CA 1 ATOM 1495 C C . ALA A 1 200 ? 7.118 -5.588 9.638 1.00 23.66 ? 541 ALA A C 1 ATOM 1496 O O . ALA A 1 200 ? 6.806 -4.855 8.677 1.00 23.53 ? 541 ALA A O 1 ATOM 1497 C CB . ALA A 1 200 ? 8.452 -7.396 8.605 1.00 22.65 ? 541 ALA A CB 1 ATOM 1498 N N . PHE A 1 201 ? 7.348 -5.151 10.878 1.00 23.75 ? 542 PHE A N 1 ATOM 1499 C CA . PHE A 1 201 ? 7.338 -3.749 11.227 1.00 23.72 ? 542 PHE A CA 1 ATOM 1500 C C . PHE A 1 201 ? 8.745 -3.218 11.298 1.00 24.72 ? 542 PHE A C 1 ATOM 1501 O O . PHE A 1 201 ? 9.459 -3.353 12.318 1.00 25.65 ? 542 PHE A O 1 ATOM 1502 C CB . PHE A 1 201 ? 6.599 -3.567 12.520 1.00 23.41 ? 542 PHE A CB 1 ATOM 1503 C CG . PHE A 1 201 ? 5.178 -4.037 12.449 1.00 22.33 ? 542 PHE A CG 1 ATOM 1504 C CD1 . PHE A 1 201 ? 4.248 -3.348 11.684 1.00 21.48 ? 542 PHE A CD1 1 ATOM 1505 C CD2 . PHE A 1 201 ? 4.772 -5.147 13.144 1.00 21.50 ? 542 PHE A CD2 1 ATOM 1506 C CE1 . PHE A 1 201 ? 2.940 -3.762 11.610 1.00 21.62 ? 542 PHE A CE1 1 ATOM 1507 C CE2 . PHE A 1 201 ? 3.458 -5.557 13.090 1.00 23.65 ? 542 PHE A CE2 1 ATOM 1508 C CZ . PHE A 1 201 ? 2.542 -4.868 12.301 1.00 22.77 ? 542 PHE A CZ 1 ATOM 1509 N N . VAL A 1 202 ? 9.164 -2.648 10.175 1.00 25.01 ? 543 VAL A N 1 ATOM 1510 C CA . VAL A 1 202 ? 10.521 -2.137 10.035 1.00 24.48 ? 543 VAL A CA 1 ATOM 1511 C C . VAL A 1 202 ? 10.425 -0.676 9.588 1.00 24.77 ? 543 VAL A C 1 ATOM 1512 O O . VAL A 1 202 ? 9.380 -0.053 9.755 1.00 24.68 ? 543 VAL A O 1 ATOM 1513 C CB . VAL A 1 202 ? 11.346 -3.027 9.087 1.00 24.33 ? 543 VAL A CB 1 ATOM 1514 C CG1 . VAL A 1 202 ? 11.587 -4.381 9.719 1.00 23.48 ? 543 VAL A CG1 1 ATOM 1515 C CG2 . VAL A 1 202 ? 10.671 -3.188 7.732 1.00 22.80 ? 543 VAL A CG2 1 ATOM 1516 N N . LYS A 1 203 ? 11.506 -0.124 9.056 1.00 25.50 ? 544 LYS A N 1 ATOM 1517 C CA . LYS A 1 203 ? 11.485 1.202 8.430 1.00 26.18 ? 544 LYS A CA 1 ATOM 1518 C C . LYS A 1 203 ? 11.676 1.101 6.902 1.00 27.13 ? 544 LYS A C 1 ATOM 1519 O O . LYS A 1 203 ? 12.162 0.069 6.392 1.00 27.52 ? 544 LYS A O 1 ATOM 1520 C CB . LYS A 1 203 ? 12.584 2.081 8.998 1.00 25.89 ? 544 LYS A CB 1 ATOM 1521 C CG . LYS A 1 203 ? 13.970 1.489 8.850 1.00 25.01 ? 544 LYS A CG 1 ATOM 1522 C CD . LYS A 1 203 ? 15.026 2.461 9.352 1.00 25.61 ? 544 LYS A CD 1 ATOM 1523 C CE . LYS A 1 203 ? 16.390 1.896 9.035 1.00 23.69 ? 544 LYS A CE 1 ATOM 1524 N NZ . LYS A 1 203 ? 17.440 2.635 9.701 1.00 22.81 ? 544 LYS A NZ 1 ATOM 1525 N N . ASN A 1 204 ? 11.327 2.175 6.186 1.00 27.22 ? 545 ASN A N 1 ATOM 1526 C CA . ASN A 1 204 ? 11.443 2.183 4.741 1.00 27.53 ? 545 ASN A CA 1 ATOM 1527 C C . ASN A 1 204 ? 12.763 1.641 4.192 1.00 27.34 ? 545 ASN A C 1 ATOM 1528 O O . ASN A 1 204 ? 12.748 0.856 3.260 1.00 28.19 ? 545 ASN A O 1 ATOM 1529 C CB . ASN A 1 204 ? 11.119 3.559 4.156 1.00 27.52 ? 545 ASN A CB 1 ATOM 1530 C CG . ASN A 1 204 ? 11.698 3.746 2.756 1.00 30.51 ? 545 ASN A CG 1 ATOM 1531 O OD1 . ASN A 1 204 ? 11.299 3.087 1.760 1.00 31.76 ? 545 ASN A OD1 1 ATOM 1532 N ND2 . ASN A 1 204 ? 12.693 4.618 2.682 1.00 31.03 ? 545 ASN A ND2 1 ATOM 1533 N N . ASP A 1 205 ? 13.869 1.996 4.787 1.00 27.28 ? 546 ASP A N 1 ATOM 1534 C CA . ASP A 1 205 ? 15.153 1.737 4.226 1.00 27.01 ? 546 ASP A CA 1 ATOM 1535 C C . ASP A 1 205 ? 15.526 0.308 4.299 1.00 27.73 ? 546 ASP A C 1 ATOM 1536 O O . ASP A 1 205 ? 16.344 -0.122 3.569 1.00 27.93 ? 546 ASP A O 1 ATOM 1537 C CB . ASP A 1 205 ? 16.196 2.527 4.975 1.00 26.35 ? 546 ASP A CB 1 ATOM 1538 C CG . ASP A 1 205 ? 15.730 3.883 5.379 1.00 29.32 ? 546 ASP A CG 1 ATOM 1539 O OD1 . ASP A 1 205 ? 14.931 4.013 6.296 1.00 29.20 ? 546 ASP A OD1 1 ATOM 1540 O OD2 . ASP A 1 205 ? 16.184 4.846 4.783 1.00 33.30 ? 546 ASP A OD2 1 ATOM 1541 N N . THR A 1 206 ? 14.948 -0.422 5.224 1.00 27.80 ? 547 THR A N 1 ATOM 1542 C CA . THR A 1 206 ? 15.240 -1.837 5.397 1.00 28.54 ? 547 THR A CA 1 ATOM 1543 C C . THR A 1 206 ? 14.891 -2.652 4.161 1.00 29.42 ? 547 THR A C 1 ATOM 1544 O O . THR A 1 206 ? 15.669 -3.505 3.764 1.00 29.28 ? 547 THR A O 1 ATOM 1545 C CB . THR A 1 206 ? 14.581 -2.427 6.673 1.00 28.77 ? 547 THR A CB 1 ATOM 1546 O OG1 . THR A 1 206 ? 14.932 -1.614 7.797 1.00 30.10 ? 547 THR A OG1 1 ATOM 1547 C CG2 . THR A 1 206 ? 15.047 -3.867 6.946 1.00 25.80 ? 547 THR A CG2 1 ATOM 1548 N N . VAL A 1 207 ? 13.737 -2.385 3.557 1.00 30.73 ? 548 VAL A N 1 ATOM 1549 C CA . VAL A 1 207 ? 13.368 -3.017 2.288 1.00 32.57 ? 548 VAL A CA 1 ATOM 1550 C C . VAL A 1 207 ? 14.359 -2.723 1.129 1.00 33.62 ? 548 VAL A C 1 ATOM 1551 O O . VAL A 1 207 ? 14.831 -3.646 0.469 1.00 32.90 ? 548 VAL A O 1 ATOM 1552 C CB . VAL A 1 207 ? 11.976 -2.604 1.864 1.00 32.49 ? 548 VAL A CB 1 ATOM 1553 C CG1 . VAL A 1 207 ? 11.531 -3.438 0.694 1.00 33.51 ? 548 VAL A CG1 1 ATOM 1554 C CG2 . VAL A 1 207 ? 11.012 -2.782 3.023 1.00 33.61 ? 548 VAL A CG2 1 ATOM 1555 N N . TRP A 1 208 ? 14.692 -1.447 0.906 1.00 35.07 ? 549 TRP A N 1 ATOM 1556 C CA . TRP A 1 208 ? 15.620 -1.081 -0.164 1.00 36.49 ? 549 TRP A CA 1 ATOM 1557 C C . TRP A 1 208 ? 16.997 -1.678 -0.014 1.00 37.80 ? 549 TRP A C 1 ATOM 1558 O O . TRP A 1 208 ? 17.623 -2.060 -1.004 1.00 38.64 ? 549 TRP A O 1 ATOM 1559 C CB . TRP A 1 208 ? 15.728 0.426 -0.288 1.00 37.16 ? 549 TRP A CB 1 ATOM 1560 C CG . TRP A 1 208 ? 14.478 0.967 -0.701 1.00 37.30 ? 549 TRP A CG 1 ATOM 1561 C CD1 . TRP A 1 208 ? 13.382 1.163 0.074 1.00 39.36 ? 549 TRP A CD1 1 ATOM 1562 C CD2 . TRP A 1 208 ? 14.118 1.342 -2.022 1.00 39.75 ? 549 TRP A CD2 1 ATOM 1563 N NE1 . TRP A 1 208 ? 12.346 1.664 -0.686 1.00 40.59 ? 549 TRP A NE1 1 ATOM 1564 C CE2 . TRP A 1 208 ? 12.776 1.772 -1.983 1.00 40.10 ? 549 TRP A CE2 1 ATOM 1565 C CE3 . TRP A 1 208 ? 14.798 1.348 -3.253 1.00 41.86 ? 549 TRP A CE3 1 ATOM 1566 C CZ2 . TRP A 1 208 ? 12.106 2.217 -3.118 1.00 39.73 ? 549 TRP A CZ2 1 ATOM 1567 C CZ3 . TRP A 1 208 ? 14.132 1.783 -4.377 1.00 39.61 ? 549 TRP A CZ3 1 ATOM 1568 C CH2 . TRP A 1 208 ? 12.802 2.217 -4.303 1.00 39.30 ? 549 TRP A CH2 1 ATOM 1569 N N . GLU A 1 209 ? 17.480 -1.747 1.220 1.00 39.25 ? 550 GLU A N 1 ATOM 1570 C CA . GLU A 1 209 ? 18.834 -2.214 1.490 1.00 40.79 ? 550 GLU A CA 1 ATOM 1571 C C . GLU A 1 209 ? 18.983 -3.717 1.405 1.00 40.21 ? 550 GLU A C 1 ATOM 1572 O O . GLU A 1 209 ? 20.094 -4.198 1.222 1.00 41.18 ? 550 GLU A O 1 ATOM 1573 C CB . GLU A 1 209 ? 19.326 -1.724 2.858 1.00 40.81 ? 550 GLU A CB 1 ATOM 1574 C CG . GLU A 1 209 ? 19.949 -0.330 2.862 1.00 42.75 ? 550 GLU A CG 1 ATOM 1575 C CD . GLU A 1 209 ? 19.991 0.281 4.267 1.00 43.91 ? 550 GLU A CD 1 ATOM 1576 O OE1 . GLU A 1 209 ? 20.308 -0.450 5.234 1.00 47.33 ? 550 GLU A OE1 1 ATOM 1577 O OE2 . GLU A 1 209 ? 19.685 1.496 4.411 1.00 49.03 ? 550 GLU A OE2 1 ATOM 1578 N N . ASN A 1 210 ? 17.889 -4.464 1.542 1.00 40.18 ? 551 ASN A N 1 ATOM 1579 C CA . ASN A 1 210 ? 17.965 -5.950 1.549 1.00 39.89 ? 551 ASN A CA 1 ATOM 1580 C C . ASN A 1 210 ? 17.305 -6.648 0.373 1.00 39.86 ? 551 ASN A C 1 ATOM 1581 O O . ASN A 1 210 ? 17.111 -7.863 0.388 1.00 39.26 ? 551 ASN A O 1 ATOM 1582 C CB . ASN A 1 210 ? 17.421 -6.525 2.857 1.00 39.71 ? 551 ASN A CB 1 ATOM 1583 C CG . ASN A 1 210 ? 18.239 -6.111 4.036 1.00 37.94 ? 551 ASN A CG 1 ATOM 1584 O OD1 . ASN A 1 210 ? 19.312 -6.648 4.257 1.00 38.99 ? 551 ASN A OD1 1 ATOM 1585 N ND2 . ASN A 1 210 ? 17.755 -5.134 4.788 1.00 34.73 ? 551 ASN A ND2 1 ATOM 1586 N N . THR A 1 211 ? 16.975 -5.871 -0.651 1.00 40.49 ? 552 THR A N 1 ATOM 1587 C CA . THR A 1 211 ? 16.401 -6.421 -1.882 1.00 40.94 ? 552 THR A CA 1 ATOM 1588 C C . THR A 1 211 ? 17.183 -5.899 -3.096 1.00 42.19 ? 552 THR A C 1 ATOM 1589 O O . THR A 1 211 ? 17.963 -4.958 -2.960 1.00 42.07 ? 552 THR A O 1 ATOM 1590 C CB . THR A 1 211 ? 14.889 -6.094 -2.034 1.00 39.82 ? 552 THR A CB 1 ATOM 1591 O OG1 . THR A 1 211 ? 14.710 -4.680 -2.070 1.00 38.63 ? 552 THR A OG1 1 ATOM 1592 C CG2 . THR A 1 211 ? 14.089 -6.679 -0.912 1.00 37.73 ? 552 THR A CG2 1 ATOM 1593 N N . ASN A 1 212 ? 16.946 -6.520 -4.263 1.00 43.69 ? 553 ASN A N 1 ATOM 1594 C CA . ASN A 1 212 ? 17.587 -6.185 -5.555 1.00 44.83 ? 553 ASN A CA 1 ATOM 1595 C C . ASN A 1 212 ? 19.114 -6.260 -5.543 1.00 45.43 ? 553 ASN A C 1 ATOM 1596 O O . ASN A 1 212 ? 19.783 -5.416 -6.135 1.00 45.47 ? 553 ASN A O 1 ATOM 1597 C CB . ASN A 1 212 ? 17.110 -4.840 -6.106 1.00 44.74 ? 553 ASN A CB 1 ATOM 1598 C CG . ASN A 1 212 ? 15.644 -4.865 -6.537 1.00 47.19 ? 553 ASN A CG 1 ATOM 1599 O OD1 . ASN A 1 212 ? 14.787 -5.508 -5.908 1.00 48.13 ? 553 ASN A OD1 1 ATOM 1600 N ND2 . ASN A 1 212 ? 15.347 -4.147 -7.619 1.00 49.51 ? 553 ASN A ND2 1 ATOM 1601 N N . GLY A 1 213 ? 19.657 -7.276 -4.873 1.00 46.12 ? 554 GLY A N 1 ATOM 1602 C CA . GLY A 1 213 ? 21.105 -7.458 -4.804 1.00 47.14 ? 554 GLY A CA 1 ATOM 1603 C C . GLY A 1 213 ? 21.900 -6.480 -3.945 1.00 47.72 ? 554 GLY A C 1 ATOM 1604 O O . GLY A 1 213 ? 23.127 -6.512 -3.963 1.00 48.00 ? 554 GLY A O 1 ATOM 1605 N N . GLU A 1 214 ? 21.220 -5.622 -3.190 1.00 48.27 ? 555 GLU A N 1 ATOM 1606 C CA . GLU A 1 214 ? 21.894 -4.669 -2.304 1.00 49.30 ? 555 GLU A CA 1 ATOM 1607 C C . GLU A 1 214 ? 22.595 -5.376 -1.125 1.00 49.86 ? 555 GLU A C 1 ATOM 1608 O O . GLU A 1 214 ? 23.680 -4.953 -0.684 1.00 49.65 ? 555 GLU A O 1 ATOM 1609 C CB . GLU A 1 214 ? 20.898 -3.626 -1.788 1.00 49.27 ? 555 GLU A CB 1 ATOM 1610 C CG . GLU A 1 214 ? 21.428 -2.211 -1.813 1.00 51.41 ? 555 GLU A CG 1 ATOM 1611 C CD . GLU A 1 214 ? 21.453 -1.628 -3.212 1.00 54.35 ? 555 GLU A CD 1 ATOM 1612 O OE1 . GLU A 1 214 ? 22.171 -0.625 -3.429 1.00 55.69 ? 555 GLU A OE1 1 ATOM 1613 O OE2 . GLU A 1 214 ? 20.745 -2.167 -4.099 1.00 56.15 ? 555 GLU A OE2 1 ATOM 1614 N N . SER A 1 215 ? 21.963 -6.441 -0.618 1.00 50.49 ? 556 SER A N 1 ATOM 1615 C CA . SER A 1 215 ? 22.556 -7.295 0.416 1.00 50.84 ? 556 SER A CA 1 ATOM 1616 C C . SER A 1 215 ? 23.048 -8.589 -0.228 1.00 51.47 ? 556 SER A C 1 ATOM 1617 O O . SER A 1 215 ? 22.340 -9.199 -1.029 1.00 52.03 ? 556 SER A O 1 ATOM 1618 C CB . SER A 1 215 ? 21.551 -7.592 1.541 1.00 50.66 ? 556 SER A CB 1 ATOM 1619 O OG . SER A 1 215 ? 22.001 -8.634 2.394 1.00 48.21 ? 556 SER A OG 1 ATOM 1620 N N . THR A 1 216 ? 24.263 -8.995 0.123 1.00 51.74 ? 557 THR A N 1 ATOM 1621 C CA . THR A 1 216 ? 24.857 -10.212 -0.413 1.00 51.93 ? 557 THR A CA 1 ATOM 1622 C C . THR A 1 216 ? 24.529 -11.426 0.441 1.00 51.58 ? 557 THR A C 1 ATOM 1623 O O . THR A 1 216 ? 24.926 -12.543 0.103 1.00 51.89 ? 557 THR A O 1 ATOM 1624 C CB . THR A 1 216 ? 26.389 -10.112 -0.485 1.00 52.31 ? 557 THR A CB 1 ATOM 1625 O OG1 . THR A 1 216 ? 26.822 -8.795 -0.098 1.00 52.96 ? 557 THR A OG1 1 ATOM 1626 C CG2 . THR A 1 216 ? 26.862 -10.442 -1.905 1.00 53.12 ? 557 THR A CG2 1 ATOM 1627 N N . ALA A 1 217 ? 23.821 -11.200 1.552 1.00 51.01 ? 558 ALA A N 1 ATOM 1628 C CA . ALA A 1 217 ? 23.416 -12.264 2.471 1.00 49.86 ? 558 ALA A CA 1 ATOM 1629 C C . ALA A 1 217 ? 22.581 -13.309 1.747 1.00 49.40 ? 558 ALA A C 1 ATOM 1630 O O . ALA A 1 217 ? 21.627 -12.981 1.030 1.00 49.61 ? 558 ALA A O 1 ATOM 1631 C CB . ALA A 1 217 ? 22.664 -11.694 3.654 1.00 49.65 ? 558 ALA A CB 1 ATOM 1632 N N . ASP A 1 218 ? 22.983 -14.562 1.919 1.00 48.49 ? 559 ASP A N 1 ATOM 1633 C CA . ASP A 1 218 ? 22.330 -15.745 1.336 1.00 48.36 ? 559 ASP A CA 1 ATOM 1634 C C . ASP A 1 218 ? 20.772 -15.747 1.365 1.00 46.72 ? 559 ASP A C 1 ATOM 1635 O O . ASP A 1 218 ? 20.144 -16.154 0.382 1.00 46.49 ? 559 ASP A O 1 ATOM 1636 C CB . ASP A 1 218 ? 22.920 -16.974 2.033 1.00 49.18 ? 559 ASP A CB 1 ATOM 1637 C CG . ASP A 1 218 ? 23.641 -16.581 3.340 1.00 53.29 ? 559 ASP A CG 1 ATOM 1638 O OD1 . ASP A 1 218 ? 22.961 -16.074 4.275 1.00 56.83 ? 559 ASP A OD1 1 ATOM 1639 O OD2 . ASP A 1 218 ? 24.890 -16.703 3.420 1.00 56.76 ? 559 ASP A OD2 1 ATOM 1640 N N . TRP A 1 219 ? 20.163 -15.287 2.467 1.00 44.51 ? 560 TRP A N 1 ATOM 1641 C CA . TRP A 1 219 ? 18.688 -15.187 2.579 1.00 42.76 ? 560 TRP A CA 1 ATOM 1642 C C . TRP A 1 219 ? 18.069 -14.046 1.741 1.00 42.65 ? 560 TRP A C 1 ATOM 1643 O O . TRP A 1 219 ? 16.866 -14.071 1.452 1.00 41.84 ? 560 TRP A O 1 ATOM 1644 C CB . TRP A 1 219 ? 18.235 -15.038 4.046 1.00 41.09 ? 560 TRP A CB 1 ATOM 1645 C CG . TRP A 1 219 ? 18.693 -13.755 4.691 1.00 39.41 ? 560 TRP A CG 1 ATOM 1646 C CD1 . TRP A 1 219 ? 19.878 -13.539 5.355 1.00 37.69 ? 560 TRP A CD1 1 ATOM 1647 C CD2 . TRP A 1 219 ? 17.993 -12.511 4.720 1.00 37.63 ? 560 TRP A CD2 1 ATOM 1648 N NE1 . TRP A 1 219 ? 19.955 -12.245 5.790 1.00 35.76 ? 560 TRP A NE1 1 ATOM 1649 C CE2 . TRP A 1 219 ? 18.813 -11.585 5.420 1.00 37.56 ? 560 TRP A CE2 1 ATOM 1650 C CE3 . TRP A 1 219 ? 16.744 -12.083 4.237 1.00 36.86 ? 560 TRP A CE3 1 ATOM 1651 C CZ2 . TRP A 1 219 ? 18.420 -10.250 5.650 1.00 37.43 ? 560 TRP A CZ2 1 ATOM 1652 C CZ3 . TRP A 1 219 ? 16.358 -10.754 4.454 1.00 37.18 ? 560 TRP A CZ3 1 ATOM 1653 C CH2 . TRP A 1 219 ? 17.196 -9.858 5.160 1.00 37.68 ? 560 TRP A CH2 1 ATOM 1654 N N . ALA A 1 220 ? 18.891 -13.068 1.352 1.00 42.25 ? 561 ALA A N 1 ATOM 1655 C CA . ALA A 1 220 ? 18.392 -11.817 0.778 1.00 42.87 ? 561 ALA A CA 1 ATOM 1656 C C . ALA A 1 220 ? 18.776 -11.568 -0.679 1.00 43.25 ? 561 ALA A C 1 ATOM 1657 O O . ALA A 1 220 ? 18.156 -10.743 -1.348 1.00 43.07 ? 561 ALA A O 1 ATOM 1658 C CB . ALA A 1 220 ? 18.838 -10.624 1.635 1.00 42.66 ? 561 ALA A CB 1 ATOM 1659 N N . LYS A 1 221 ? 19.817 -12.265 -1.133 1.00 43.92 ? 562 LYS A N 1 ATOM 1660 C CA . LYS A 1 221 ? 20.422 -12.090 -2.463 1.00 44.00 ? 562 LYS A CA 1 ATOM 1661 C C . LYS A 1 221 ? 19.451 -12.251 -3.652 1.00 44.17 ? 562 LYS A C 1 ATOM 1662 O O . LYS A 1 221 ? 19.640 -11.608 -4.686 1.00 44.12 ? 562 LYS A O 1 ATOM 1663 C CB . LYS A 1 221 ? 21.630 -13.036 -2.620 1.00 44.22 ? 562 LYS A CB 1 ATOM 1664 C CG . LYS A 1 221 ? 21.284 -14.524 -2.784 1.00 42.91 ? 562 LYS A CG 1 ATOM 1665 C CD . LYS A 1 221 ? 22.572 -15.291 -2.871 1.00 43.65 ? 562 LYS A CD 1 ATOM 1666 C CE . LYS A 1 221 ? 22.367 -16.782 -3.114 1.00 44.01 ? 562 LYS A CE 1 ATOM 1667 N NZ . LYS A 1 221 ? 23.644 -17.522 -2.827 1.00 42.12 ? 562 LYS A NZ 1 ATOM 1668 N N . ASN A 1 222 ? 18.439 -13.111 -3.499 1.00 44.07 ? 563 ASN A N 1 ATOM 1669 C CA . ASN A 1 222 ? 17.393 -13.301 -4.505 1.00 43.99 ? 563 ASN A CA 1 ATOM 1670 C C . ASN A 1 222 ? 16.142 -12.506 -4.221 1.00 44.03 ? 563 ASN A C 1 ATOM 1671 O O . ASN A 1 222 ? 15.102 -12.759 -4.834 1.00 44.72 ? 563 ASN A O 1 ATOM 1672 C CB . ASN A 1 222 ? 16.971 -14.769 -4.575 1.00 44.12 ? 563 ASN A CB 1 ATOM 1673 C CG . ASN A 1 222 ? 17.944 -15.610 -5.328 1.00 44.96 ? 563 ASN A CG 1 ATOM 1674 O OD1 . ASN A 1 222 ? 18.168 -15.387 -6.520 1.00 45.12 ? 563 ASN A OD1 1 ATOM 1675 N ND2 . ASN A 1 222 ? 18.550 -16.590 -4.640 1.00 45.19 ? 563 ASN A ND2 1 ATOM 1676 N N . LEU A 1 223 ? 16.195 -11.579 -3.274 1.00 43.84 ? 564 LEU A N 1 ATOM 1677 C CA . LEU A 1 223 ? 14.975 -10.868 -2.909 1.00 43.36 ? 564 LEU A CA 1 ATOM 1678 C C . LEU A 1 223 ? 14.776 -9.670 -3.821 1.00 43.59 ? 564 LEU A C 1 ATOM 1679 O O . LEU A 1 223 ? 15.727 -8.949 -4.155 1.00 43.43 ? 564 LEU A O 1 ATOM 1680 C CB . LEU A 1 223 ? 14.971 -10.447 -1.434 1.00 42.76 ? 564 LEU A CB 1 ATOM 1681 C CG . LEU A 1 223 ? 14.871 -11.542 -0.385 1.00 40.72 ? 564 LEU A CG 1 ATOM 1682 C CD1 . LEU A 1 223 ? 14.896 -10.903 0.996 1.00 38.90 ? 564 LEU A CD1 1 ATOM 1683 C CD2 . LEU A 1 223 ? 13.642 -12.406 -0.588 1.00 37.52 ? 564 LEU A CD2 1 ATOM 1684 N N . LYS A 1 224 ? 13.524 -9.453 -4.191 1.00 43.70 ? 565 LYS A N 1 ATOM 1685 C CA . LYS A 1 224 ? 13.184 -8.496 -5.210 1.00 44.10 ? 565 LYS A CA 1 ATOM 1686 C C . LYS A 1 224 ? 12.089 -7.568 -4.694 1.00 43.59 ? 565 LYS A C 1 ATOM 1687 O O . LYS A 1 224 ? 11.080 -8.031 -4.180 1.00 43.35 ? 565 LYS A O 1 ATOM 1688 C CB . LYS A 1 224 ? 12.698 -9.305 -6.408 1.00 44.72 ? 565 LYS A CB 1 ATOM 1689 C CG . LYS A 1 224 ? 12.528 -8.569 -7.706 1.00 47.03 ? 565 LYS A CG 1 ATOM 1690 C CD . LYS A 1 224 ? 11.901 -9.518 -8.728 1.00 53.11 ? 565 LYS A CD 1 ATOM 1691 C CE . LYS A 1 224 ? 12.622 -10.906 -8.746 1.00 54.78 ? 565 LYS A CE 1 ATOM 1692 N NZ . LYS A 1 224 ? 12.162 -11.756 -9.885 1.00 56.26 ? 565 LYS A NZ 1 ATOM 1693 N N . ARG A 1 225 ? 12.285 -6.263 -4.850 1.00 43.64 ? 566 ARG A N 1 ATOM 1694 C CA . ARG A 1 225 ? 11.334 -5.259 -4.360 1.00 43.75 ? 566 ARG A CA 1 ATOM 1695 C C . ARG A 1 225 ? 9.903 -5.475 -4.827 1.00 43.71 ? 566 ARG A C 1 ATOM 1696 O O . ARG A 1 225 ? 8.953 -5.254 -4.078 1.00 43.67 ? 566 ARG A O 1 ATOM 1697 C CB . ARG A 1 225 ? 11.782 -3.864 -4.774 1.00 44.21 ? 566 ARG A CB 1 ATOM 1698 C CG . ARG A 1 225 ? 12.803 -3.276 -3.841 1.00 45.76 ? 566 ARG A CG 1 ATOM 1699 C CD . ARG A 1 225 ? 13.586 -2.145 -4.465 1.00 47.17 ? 566 ARG A CD 1 ATOM 1700 N NE . ARG A 1 225 ? 14.916 -2.089 -3.859 1.00 49.18 ? 566 ARG A NE 1 ATOM 1701 C CZ . ARG A 1 225 ? 16.029 -1.713 -4.482 1.00 50.04 ? 566 ARG A CZ 1 ATOM 1702 N NH1 . ARG A 1 225 ? 15.998 -1.354 -5.760 1.00 50.71 ? 566 ARG A NH1 1 ATOM 1703 N NH2 . ARG A 1 225 ? 17.183 -1.713 -3.823 1.00 50.94 ? 566 ARG A NH2 1 ATOM 1704 N N . GLU A 1 226 ? 9.738 -5.916 -6.069 1.00 44.00 ? 567 GLU A N 1 ATOM 1705 C CA . GLU A 1 226 ? 8.397 -6.070 -6.620 1.00 44.04 ? 567 GLU A CA 1 ATOM 1706 C C . GLU A 1 226 ? 7.582 -7.159 -5.889 1.00 42.81 ? 567 GLU A C 1 ATOM 1707 O O . GLU A 1 226 ? 6.350 -7.171 -5.986 1.00 42.70 ? 567 GLU A O 1 ATOM 1708 C CB . GLU A 1 226 ? 8.434 -6.283 -8.142 1.00 44.60 ? 567 GLU A CB 1 ATOM 1709 C CG . GLU A 1 226 ? 7.540 -5.279 -8.925 1.00 48.38 ? 567 GLU A CG 1 ATOM 1710 C CD . GLU A 1 226 ? 6.039 -5.348 -8.538 1.00 52.95 ? 567 GLU A CD 1 ATOM 1711 O OE1 . GLU A 1 226 ? 5.377 -6.402 -8.783 1.00 53.61 ? 567 GLU A OE1 1 ATOM 1712 O OE2 . GLU A 1 226 ? 5.529 -4.342 -7.979 1.00 53.20 ? 567 GLU A OE2 1 ATOM 1713 N N . ASP A 1 227 ? 8.268 -8.032 -5.134 1.00 41.19 ? 568 ASP A N 1 ATOM 1714 C CA . ASP A 1 227 ? 7.604 -9.084 -4.336 1.00 39.70 ? 568 ASP A CA 1 ATOM 1715 C C . ASP A 1 227 ? 7.077 -8.617 -2.986 1.00 37.99 ? 568 ASP A C 1 ATOM 1716 O O . ASP A 1 227 ? 6.459 -9.403 -2.255 1.00 37.50 ? 568 ASP A O 1 ATOM 1717 C CB . ASP A 1 227 ? 8.511 -10.291 -4.141 1.00 40.22 ? 568 ASP A CB 1 ATOM 1718 C CG . ASP A 1 227 ? 8.881 -10.953 -5.457 1.00 42.06 ? 568 ASP A CG 1 ATOM 1719 O OD1 . ASP A 1 227 ? 8.205 -10.676 -6.470 1.00 42.69 ? 568 ASP A OD1 1 ATOM 1720 O OD2 . ASP A 1 227 ? 9.852 -11.746 -5.482 1.00 44.73 ? 568 ASP A OD2 1 ATOM 1721 N N . PHE A 1 228 ? 7.291 -7.335 -2.667 1.00 35.98 ? 569 PHE A N 1 ATOM 1722 C CA . PHE A 1 228 ? 6.837 -6.810 -1.387 1.00 33.84 ? 569 PHE A CA 1 ATOM 1723 C C . PHE A 1 228 ? 5.790 -5.738 -1.544 1.00 33.15 ? 569 PHE A C 1 ATOM 1724 O O . PHE A 1 228 ? 5.674 -5.118 -2.598 1.00 32.73 ? 569 PHE A O 1 ATOM 1725 C CB . PHE A 1 228 ? 8.029 -6.359 -0.538 1.00 33.28 ? 569 PHE A CB 1 ATOM 1726 C CG . PHE A 1 228 ? 8.961 -7.489 -0.188 1.00 31.21 ? 569 PHE A CG 1 ATOM 1727 C CD1 . PHE A 1 228 ? 8.687 -8.317 0.888 1.00 30.38 ? 569 PHE A CD1 1 ATOM 1728 C CD2 . PHE A 1 228 ? 10.073 -7.750 -0.960 1.00 29.73 ? 569 PHE A CD2 1 ATOM 1729 C CE1 . PHE A 1 228 ? 9.508 -9.393 1.200 1.00 31.82 ? 569 PHE A CE1 1 ATOM 1730 C CE2 . PHE A 1 228 ? 10.912 -8.818 -0.658 1.00 33.18 ? 569 PHE A CE2 1 ATOM 1731 C CZ . PHE A 1 228 ? 10.630 -9.649 0.430 1.00 32.59 ? 569 PHE A CZ 1 ATOM 1732 N N . ARG A 1 229 ? 4.996 -5.549 -0.503 1.00 32.25 ? 570 ARG A N 1 ATOM 1733 C CA . ARG A 1 229 ? 4.060 -4.444 -0.476 1.00 31.85 ? 570 ARG A CA 1 ATOM 1734 C C . ARG A 1 229 ? 4.073 -3.781 0.885 1.00 31.21 ? 570 ARG A C 1 ATOM 1735 O O . ARG A 1 229 ? 4.342 -4.435 1.888 1.00 30.92 ? 570 ARG A O 1 ATOM 1736 C CB . ARG A 1 229 ? 2.638 -4.918 -0.785 1.00 32.35 ? 570 ARG A CB 1 ATOM 1737 C CG . ARG A 1 229 ? 2.407 -5.356 -2.199 1.00 32.64 ? 570 ARG A CG 1 ATOM 1738 C CD . ARG A 1 229 ? 2.382 -4.160 -3.124 1.00 37.57 ? 570 ARG A CD 1 ATOM 1739 N NE . ARG A 1 229 ? 2.133 -4.534 -4.519 1.00 40.35 ? 570 ARG A NE 1 ATOM 1740 C CZ . ARG A 1 229 ? 3.072 -4.744 -5.439 1.00 41.22 ? 570 ARG A CZ 1 ATOM 1741 N NH1 . ARG A 1 229 ? 4.367 -4.626 -5.148 1.00 41.13 ? 570 ARG A NH1 1 ATOM 1742 N NH2 . ARG A 1 229 ? 2.703 -5.068 -6.670 1.00 43.18 ? 570 ARG A NH2 1 ATOM 1743 N N . LEU A 1 230 ? 3.768 -2.484 0.893 1.00 30.48 ? 571 LEU A N 1 ATOM 1744 C CA . LEU A 1 230 ? 3.588 -1.694 2.097 1.00 29.68 ? 571 LEU A CA 1 ATOM 1745 C C . LEU A 1 230 ? 2.112 -1.702 2.392 1.00 30.45 ? 571 LEU A C 1 ATOM 1746 O O . LEU A 1 230 ? 1.322 -1.546 1.459 1.00 31.20 ? 571 LEU A O 1 ATOM 1747 C CB . LEU A 1 230 ? 4.049 -0.260 1.846 1.00 29.31 ? 571 LEU A CB 1 ATOM 1748 C CG . LEU A 1 230 ? 5.536 -0.151 1.470 1.00 28.42 ? 571 LEU A CG 1 ATOM 1749 C CD1 . LEU A 1 230 ? 5.979 1.267 1.299 1.00 24.64 ? 571 LEU A CD1 1 ATOM 1750 C CD2 . LEU A 1 230 ? 6.430 -0.872 2.498 1.00 26.29 ? 571 LEU A CD2 1 ATOM 1751 N N . LEU A 1 231 ? 1.727 -1.906 3.659 1.00 30.53 ? 572 LEU A N 1 ATOM 1752 C CA . LEU A 1 231 ? 0.340 -1.733 4.088 1.00 30.90 ? 572 LEU A CA 1 ATOM 1753 C C . LEU A 1 231 ? 0.086 -0.315 4.588 1.00 31.51 ? 572 LEU A C 1 ATOM 1754 O O . LEU A 1 231 ? 0.708 0.115 5.550 1.00 31.53 ? 572 LEU A O 1 ATOM 1755 C CB . LEU A 1 231 ? -0.008 -2.675 5.220 1.00 30.54 ? 572 LEU A CB 1 ATOM 1756 C CG . LEU A 1 231 ? 0.206 -4.157 5.049 1.00 31.10 ? 572 LEU A CG 1 ATOM 1757 C CD1 . LEU A 1 231 ? -0.296 -4.820 6.357 1.00 31.66 ? 572 LEU A CD1 1 ATOM 1758 C CD2 . LEU A 1 231 ? -0.556 -4.643 3.819 1.00 30.28 ? 572 LEU A CD2 1 ATOM 1759 N N . CYS A 1 232 ? -0.840 0.399 3.946 1.00 32.65 ? 573 CYS A N 1 ATOM 1760 C CA . CYS A 1 232 ? -1.222 1.751 4.352 1.00 33.30 ? 573 CYS A CA 1 ATOM 1761 C C . CYS A 1 232 ? -2.324 1.681 5.366 1.00 34.08 ? 573 CYS A C 1 ATOM 1762 O O . CYS A 1 232 ? -3.082 0.688 5.428 1.00 34.20 ? 573 CYS A O 1 ATOM 1763 C CB . CYS A 1 232 ? -1.746 2.537 3.174 1.00 32.82 ? 573 CYS A CB 1 ATOM 1764 S SG . CYS A 1 232 ? -0.807 2.263 1.707 1.00 35.18 ? 573 CYS A SG 1 ATOM 1765 N N . LEU A 1 233 ? -2.425 2.743 6.156 1.00 34.85 ? 574 LEU A N 1 ATOM 1766 C CA . LEU A 1 233 ? -3.501 2.863 7.140 1.00 35.67 ? 574 LEU A CA 1 ATOM 1767 C C . LEU A 1 233 ? -4.912 2.965 6.534 1.00 35.82 ? 574 LEU A C 1 ATOM 1768 O O . LEU A 1 233 ? -5.884 2.700 7.219 1.00 36.51 ? 574 LEU A O 1 ATOM 1769 C CB . LEU A 1 233 ? -3.244 4.047 8.084 1.00 35.40 ? 574 LEU A CB 1 ATOM 1770 C CG . LEU A 1 233 ? -2.134 3.819 9.114 1.00 36.45 ? 574 LEU A CG 1 ATOM 1771 C CD1 . LEU A 1 233 ? -1.783 5.097 9.858 1.00 36.56 ? 574 LEU A CD1 1 ATOM 1772 C CD2 . LEU A 1 233 ? -2.478 2.687 10.094 1.00 37.83 ? 574 LEU A CD2 1 ATOM 1773 N N . ASP A 1 234 ? -5.045 3.352 5.271 1.00 36.18 ? 575 ASP A N 1 ATOM 1774 C CA . ASP A 1 234 ? -6.393 3.508 4.701 1.00 36.37 ? 575 ASP A CA 1 ATOM 1775 C C . ASP A 1 234 ? -7.001 2.193 4.202 1.00 36.52 ? 575 ASP A C 1 ATOM 1776 O O . ASP A 1 234 ? -8.085 2.206 3.646 1.00 37.24 ? 575 ASP A O 1 ATOM 1777 C CB . ASP A 1 234 ? -6.427 4.570 3.591 1.00 35.95 ? 575 ASP A CB 1 ATOM 1778 C CG . ASP A 1 234 ? -5.538 4.226 2.411 1.00 36.35 ? 575 ASP A CG 1 ATOM 1779 O OD1 . ASP A 1 234 ? -4.995 3.099 2.324 1.00 37.06 ? 575 ASP A OD1 1 ATOM 1780 O OD2 . ASP A 1 234 ? -5.370 5.106 1.552 1.00 37.28 ? 575 ASP A OD2 1 ATOM 1781 N N . GLY A 1 235 ? -6.306 1.074 4.401 1.00 36.23 ? 576 GLY A N 1 ATOM 1782 C CA . GLY A 1 235 ? -6.785 -0.221 3.962 1.00 35.64 ? 576 GLY A CA 1 ATOM 1783 C C . GLY A 1 235 ? -6.195 -0.633 2.625 1.00 35.83 ? 576 GLY A C 1 ATOM 1784 O O . GLY A 1 235 ? -6.501 -1.715 2.130 1.00 36.59 ? 576 GLY A O 1 ATOM 1785 N N . THR A 1 236 ? -5.348 0.201 2.025 1.00 35.29 ? 577 THR A N 1 ATOM 1786 C CA . THR A 1 236 ? -4.742 -0.167 0.727 1.00 35.04 ? 577 THR A CA 1 ATOM 1787 C C . THR A 1 236 ? -3.342 -0.820 0.849 1.00 35.19 ? 577 THR A C 1 ATOM 1788 O O . THR A 1 236 ? -2.825 -1.016 1.959 1.00 34.84 ? 577 THR A O 1 ATOM 1789 C CB . THR A 1 236 ? -4.724 1.024 -0.323 1.00 35.03 ? 577 THR A CB 1 ATOM 1790 O OG1 . THR A 1 236 ? -3.763 2.018 0.066 1.00 34.21 ? 577 THR A OG1 1 ATOM 1791 C CG2 . THR A 1 236 ? -6.128 1.665 -0.492 1.00 34.08 ? 577 THR A CG2 1 ATOM 1792 N N . ARG A 1 237 ? -2.754 -1.140 -0.309 1.00 34.88 ? 578 ARG A N 1 ATOM 1793 C CA . ARG A 1 237 ? -1.463 -1.798 -0.431 1.00 34.45 ? 578 ARG A CA 1 ATOM 1794 C C . ARG A 1 237 ? -0.729 -1.070 -1.519 1.00 34.98 ? 578 ARG A C 1 ATOM 1795 O O . ARG A 1 237 ? -1.295 -0.846 -2.575 1.00 35.51 ? 578 ARG A O 1 ATOM 1796 C CB . ARG A 1 237 ? -1.632 -3.255 -0.876 1.00 33.58 ? 578 ARG A CB 1 ATOM 1797 C CG . ARG A 1 237 ? -2.097 -4.200 0.192 1.00 32.36 ? 578 ARG A CG 1 ATOM 1798 C CD . ARG A 1 237 ? -2.735 -5.428 -0.413 1.00 30.68 ? 578 ARG A CD 1 ATOM 1799 N NE . ARG A 1 237 ? -1.792 -6.315 -1.109 1.00 31.11 ? 578 ARG A NE 1 ATOM 1800 C CZ . ARG A 1 237 ? -1.256 -7.428 -0.590 1.00 30.98 ? 578 ARG A CZ 1 ATOM 1801 N NH1 . ARG A 1 237 ? -1.550 -7.802 0.657 1.00 29.55 ? 578 ARG A NH1 1 ATOM 1802 N NH2 . ARG A 1 237 ? -0.423 -8.181 -1.321 1.00 29.22 ? 578 ARG A NH2 1 ATOM 1803 N N . LYS A 1 238 ? 0.526 -0.706 -1.292 1.00 35.40 ? 579 LYS A N 1 ATOM 1804 C CA . LYS A 1 238 ? 1.262 0.028 -2.308 1.00 36.04 ? 579 LYS A CA 1 ATOM 1805 C C . LYS A 1 238 ? 2.604 -0.618 -2.523 1.00 36.71 ? 579 LYS A C 1 ATOM 1806 O O . LYS A 1 238 ? 3.076 -1.329 -1.637 1.00 37.28 ? 579 LYS A O 1 ATOM 1807 C CB . LYS A 1 238 ? 1.445 1.488 -1.896 1.00 36.22 ? 579 LYS A CB 1 ATOM 1808 C CG . LYS A 1 238 ? 0.132 2.248 -1.731 1.00 37.04 ? 579 LYS A CG 1 ATOM 1809 C CD . LYS A 1 238 ? 0.329 3.758 -1.764 1.00 40.84 ? 579 LYS A CD 1 ATOM 1810 C CE . LYS A 1 238 ? -1.001 4.483 -1.897 1.00 41.71 ? 579 LYS A CE 1 ATOM 1811 N NZ . LYS A 1 238 ? -1.859 3.706 -2.847 1.00 43.02 ? 579 LYS A NZ 1 ATOM 1812 N N . PRO A 1 239 ? 3.222 -0.402 -3.707 1.00 37.13 ? 580 PRO A N 1 ATOM 1813 C CA . PRO A 1 239 ? 4.615 -0.795 -3.902 1.00 37.21 ? 580 PRO A CA 1 ATOM 1814 C C . PRO A 1 239 ? 5.510 -0.104 -2.883 1.00 37.31 ? 580 PRO A C 1 ATOM 1815 O O . PRO A 1 239 ? 5.093 0.836 -2.205 1.00 36.99 ? 580 PRO A O 1 ATOM 1816 C CB . PRO A 1 239 ? 4.934 -0.257 -5.297 1.00 37.24 ? 580 PRO A CB 1 ATOM 1817 C CG . PRO A 1 239 ? 3.619 -0.227 -5.974 1.00 37.32 ? 580 PRO A CG 1 ATOM 1818 C CD . PRO A 1 239 ? 2.665 0.210 -4.927 1.00 36.68 ? 580 PRO A CD 1 ATOM 1819 N N . VAL A 1 240 ? 6.745 -0.564 -2.788 1.00 38.01 ? 581 VAL A N 1 ATOM 1820 C CA . VAL A 1 240 ? 7.636 -0.072 -1.757 1.00 38.08 ? 581 VAL A CA 1 ATOM 1821 C C . VAL A 1 240 ? 8.258 1.243 -2.190 1.00 38.56 ? 581 VAL A C 1 ATOM 1822 O O . VAL A 1 240 ? 9.085 1.803 -1.491 1.00 39.34 ? 581 VAL A O 1 ATOM 1823 C CB . VAL A 1 240 ? 8.675 -1.149 -1.306 1.00 38.01 ? 581 VAL A CB 1 ATOM 1824 C CG1 . VAL A 1 240 ? 7.984 -2.489 -1.107 1.00 35.99 ? 581 VAL A CG1 1 ATOM 1825 C CG2 . VAL A 1 240 ? 9.831 -1.274 -2.290 1.00 38.00 ? 581 VAL A CG2 1 ATOM 1826 N N . THR A 1 241 ? 7.818 1.756 -3.335 1.00 39.09 ? 582 THR A N 1 ATOM 1827 C CA . THR A 1 241 ? 8.283 3.060 -3.838 1.00 38.48 ? 582 THR A CA 1 ATOM 1828 C C . THR A 1 241 ? 7.361 4.193 -3.384 1.00 38.60 ? 582 THR A C 1 ATOM 1829 O O . THR A 1 241 ? 7.672 5.356 -3.622 1.00 38.73 ? 582 THR A O 1 ATOM 1830 C CB . THR A 1 241 ? 8.381 3.069 -5.369 1.00 38.26 ? 582 THR A CB 1 ATOM 1831 O OG1 . THR A 1 241 ? 7.158 2.573 -5.919 1.00 37.70 ? 582 THR A OG1 1 ATOM 1832 C CG2 . THR A 1 241 ? 9.513 2.183 -5.842 1.00 37.99 ? 582 THR A CG2 1 ATOM 1833 N N . GLU A 1 242 ? 6.251 3.846 -2.726 1.00 38.55 ? 583 GLU A N 1 ATOM 1834 C CA . GLU A 1 242 ? 5.253 4.811 -2.247 1.00 38.83 ? 583 GLU A CA 1 ATOM 1835 C C . GLU A 1 242 ? 5.362 5.057 -0.771 1.00 38.75 ? 583 GLU A C 1 ATOM 1836 O O . GLU A 1 242 ? 4.366 5.400 -0.142 1.00 38.95 ? 583 GLU A O 1 ATOM 1837 C CB . GLU A 1 242 ? 3.829 4.286 -2.446 1.00 39.34 ? 583 GLU A CB 1 ATOM 1838 C CG . GLU A 1 242 ? 3.382 4.104 -3.874 1.00 42.10 ? 583 GLU A CG 1 ATOM 1839 C CD . GLU A 1 242 ? 4.001 5.136 -4.753 1.00 45.08 ? 583 GLU A CD 1 ATOM 1840 O OE1 . GLU A 1 242 ? 3.532 6.293 -4.693 1.00 48.84 ? 583 GLU A OE1 1 ATOM 1841 O OE2 . GLU A 1 242 ? 4.972 4.802 -5.467 1.00 45.34 ? 583 GLU A OE2 1 ATOM 1842 N N . ALA A 1 243 ? 6.541 4.866 -0.192 1.00 38.52 ? 584 ALA A N 1 ATOM 1843 C CA . ALA A 1 243 ? 6.677 4.971 1.254 1.00 37.96 ? 584 ALA A CA 1 ATOM 1844 C C . ALA A 1 243 ? 6.215 6.336 1.747 1.00 37.74 ? 584 ALA A C 1 ATOM 1845 O O . ALA A 1 243 ? 5.606 6.453 2.809 1.00 36.61 ? 584 ALA A O 1 ATOM 1846 C CB . ALA A 1 243 ? 8.129 4.709 1.662 1.00 38.33 ? 584 ALA A CB 1 ATOM 1847 N N . GLN A 1 244 ? 6.499 7.363 0.944 1.00 38.42 ? 585 GLN A N 1 ATOM 1848 C CA . GLN A 1 244 ? 6.215 8.764 1.302 1.00 38.92 ? 585 GLN A CA 1 ATOM 1849 C C . GLN A 1 244 ? 4.736 8.978 1.557 1.00 37.69 ? 585 GLN A C 1 ATOM 1850 O O . GLN A 1 244 ? 4.377 9.851 2.319 1.00 37.62 ? 585 GLN A O 1 ATOM 1851 C CB . GLN A 1 244 ? 6.760 9.732 0.237 1.00 39.37 ? 585 GLN A CB 1 ATOM 1852 C CG . GLN A 1 244 ? 7.130 11.133 0.745 1.00 44.49 ? 585 GLN A CG 1 ATOM 1853 C CD . GLN A 1 244 ? 8.056 11.127 1.984 1.00 50.71 ? 585 GLN A CD 1 ATOM 1854 O OE1 . GLN A 1 244 ? 7.613 11.395 3.117 1.00 52.87 ? 585 GLN A OE1 1 ATOM 1855 N NE2 . GLN A 1 244 ? 9.342 10.816 1.769 1.00 52.38 ? 585 GLN A NE2 1 ATOM 1856 N N . SER A 1 245 ? 3.888 8.147 0.952 1.00 36.92 ? 586 SER A N 1 ATOM 1857 C CA . SER A 1 245 ? 2.436 8.222 1.163 1.00 36.37 ? 586 SER A CA 1 ATOM 1858 C C . SER A 1 245 ? 1.800 6.934 1.706 1.00 35.55 ? 586 SER A C 1 ATOM 1859 O O . SER A 1 245 ? 0.572 6.790 1.687 1.00 35.93 ? 586 SER A O 1 ATOM 1860 C CB . SER A 1 245 ? 1.747 8.588 -0.143 1.00 36.26 ? 586 SER A CB 1 ATOM 1861 O OG . SER A 1 245 ? 2.051 7.597 -1.103 1.00 38.67 ? 586 SER A OG 1 ATOM 1862 N N . CYS A 1 246 ? 2.618 5.993 2.177 1.00 34.64 ? 587 CYS A N 1 ATOM 1863 C CA . CYS A 1 246 ? 2.098 4.750 2.768 1.00 33.50 ? 587 CYS A CA 1 ATOM 1864 C C . CYS A 1 246 ? 2.965 4.254 3.940 1.00 32.50 ? 587 CYS A C 1 ATOM 1865 O O . CYS A 1 246 ? 3.563 3.176 3.870 1.00 32.84 ? 587 CYS A O 1 ATOM 1866 C CB . CYS A 1 246 ? 1.910 3.680 1.687 1.00 33.13 ? 587 CYS A CB 1 ATOM 1867 S SG . CYS A 1 246 ? 1.134 2.165 2.248 1.00 35.07 ? 587 CYS A SG 1 ATOM 1868 N N . HIS A 1 247 ? 3.011 5.058 5.005 1.00 31.16 ? 588 HIS A N 1 ATOM 1869 C CA . HIS A 1 247 ? 3.773 4.787 6.228 1.00 30.39 ? 588 HIS A CA 1 ATOM 1870 C C . HIS A 1 247 ? 2.900 4.993 7.481 1.00 29.70 ? 588 HIS A C 1 ATOM 1871 O O . HIS A 1 247 ? 1.881 5.692 7.428 1.00 29.30 ? 588 HIS A O 1 ATOM 1872 C CB . HIS A 1 247 ? 4.979 5.708 6.306 1.00 30.20 ? 588 HIS A CB 1 ATOM 1873 C CG . HIS A 1 247 ? 4.620 7.164 6.221 1.00 32.25 ? 588 HIS A CG 1 ATOM 1874 N ND1 . HIS A 1 247 ? 4.873 7.931 5.100 1.00 32.22 ? 588 HIS A ND1 1 ATOM 1875 C CD2 . HIS A 1 247 ? 3.989 7.980 7.102 1.00 32.35 ? 588 HIS A CD2 1 ATOM 1876 C CE1 . HIS A 1 247 ? 4.433 9.160 5.303 1.00 32.24 ? 588 HIS A CE1 1 ATOM 1877 N NE2 . HIS A 1 247 ? 3.886 9.215 6.505 1.00 32.89 ? 588 HIS A NE2 1 ATOM 1878 N N . LEU A 1 248 ? 3.320 4.392 8.599 1.00 29.05 ? 589 LEU A N 1 ATOM 1879 C CA . LEU A 1 248 ? 2.558 4.407 9.849 1.00 28.37 ? 589 LEU A CA 1 ATOM 1880 C C . LEU A 1 248 ? 2.909 5.615 10.692 1.00 28.30 ? 589 LEU A C 1 ATOM 1881 O O . LEU A 1 248 ? 2.104 6.059 11.488 1.00 28.36 ? 589 LEU A O 1 ATOM 1882 C CB . LEU A 1 248 ? 2.802 3.131 10.665 1.00 28.48 ? 589 LEU A CB 1 ATOM 1883 C CG . LEU A 1 248 ? 2.630 1.785 9.951 1.00 28.24 ? 589 LEU A CG 1 ATOM 1884 C CD1 . LEU A 1 248 ? 2.835 0.647 10.914 1.00 25.50 ? 589 LEU A CD1 1 ATOM 1885 C CD2 . LEU A 1 248 ? 1.253 1.691 9.268 1.00 28.89 ? 589 LEU A CD2 1 ATOM 1886 N N . ALA A 1 249 ? 4.121 6.131 10.523 1.00 28.38 ? 590 ALA A N 1 ATOM 1887 C CA . ALA A 1 249 ? 4.595 7.316 11.235 1.00 28.46 ? 590 ALA A CA 1 ATOM 1888 C C . ALA A 1 249 ? 5.994 7.629 10.726 1.00 28.98 ? 590 ALA A C 1 ATOM 1889 O O . ALA A 1 249 ? 6.654 6.766 10.172 1.00 28.82 ? 590 ALA A O 1 ATOM 1890 C CB . ALA A 1 249 ? 4.624 7.093 12.743 1.00 27.79 ? 590 ALA A CB 1 ATOM 1891 N N . VAL A 1 250 ? 6.406 8.883 10.874 1.00 29.67 ? 591 VAL A N 1 ATOM 1892 C CA . VAL A 1 250 ? 7.792 9.292 10.700 1.00 30.36 ? 591 VAL A CA 1 ATOM 1893 C C . VAL A 1 250 ? 8.448 9.274 12.088 1.00 29.68 ? 591 VAL A C 1 ATOM 1894 O O . VAL A 1 250 ? 7.855 9.718 13.059 1.00 30.22 ? 591 VAL A O 1 ATOM 1895 C CB . VAL A 1 250 ? 7.910 10.697 10.009 1.00 31.01 ? 591 VAL A CB 1 ATOM 1896 C CG1 . VAL A 1 250 ? 6.888 11.713 10.605 1.00 32.84 ? 591 VAL A CG1 1 ATOM 1897 C CG2 . VAL A 1 250 ? 9.330 11.234 10.096 1.00 30.84 ? 591 VAL A CG2 1 ATOM 1898 N N . ALA A 1 251 ? 9.649 8.716 12.168 1.00 28.82 ? 592 ALA A N 1 ATOM 1899 C CA . ALA A 1 251 ? 10.314 8.403 13.428 1.00 27.22 ? 592 ALA A CA 1 ATOM 1900 C C . ALA A 1 251 ? 11.582 9.246 13.619 1.00 26.62 ? 592 ALA A C 1 ATOM 1901 O O . ALA A 1 251 ? 12.307 9.510 12.650 1.00 25.67 ? 592 ALA A O 1 ATOM 1902 C CB . ALA A 1 251 ? 10.663 6.914 13.470 1.00 26.95 ? 592 ALA A CB 1 ATOM 1903 N N . PRO A 1 252 ? 11.893 9.623 14.882 1.00 26.36 ? 593 PRO A N 1 ATOM 1904 C CA . PRO A 1 252 ? 13.119 10.379 15.073 1.00 25.99 ? 593 PRO A CA 1 ATOM 1905 C C . PRO A 1 252 ? 14.351 9.455 14.955 1.00 25.92 ? 593 PRO A C 1 ATOM 1906 O O . PRO A 1 252 ? 14.345 8.308 15.445 1.00 25.56 ? 593 PRO A O 1 ATOM 1907 C CB . PRO A 1 252 ? 12.978 10.951 16.488 1.00 25.65 ? 593 PRO A CB 1 ATOM 1908 C CG . PRO A 1 252 ? 12.000 10.136 17.171 1.00 26.16 ? 593 PRO A CG 1 ATOM 1909 C CD . PRO A 1 252 ? 11.226 9.319 16.163 1.00 26.37 ? 593 PRO A CD 1 ATOM 1910 N N . ASN A 1 253 ? 15.376 9.944 14.265 1.00 25.33 ? 594 ASN A N 1 ATOM 1911 C CA . ASN A 1 253 ? 16.620 9.196 14.108 1.00 24.66 ? 594 ASN A CA 1 ATOM 1912 C C . ASN A 1 253 ? 17.211 8.680 15.396 1.00 24.43 ? 594 ASN A C 1 ATOM 1913 O O . ASN A 1 253 ? 17.178 9.348 16.466 1.00 24.40 ? 594 ASN A O 1 ATOM 1914 C CB . ASN A 1 253 ? 17.680 10.041 13.411 1.00 24.47 ? 594 ASN A CB 1 ATOM 1915 C CG . ASN A 1 253 ? 17.261 10.444 12.046 1.00 25.62 ? 594 ASN A CG 1 ATOM 1916 O OD1 . ASN A 1 253 ? 16.279 9.956 11.503 1.00 26.36 ? 594 ASN A OD1 1 ATOM 1917 N ND2 . ASN A 1 253 ? 18.000 11.340 11.469 1.00 30.71 ? 594 ASN A ND2 1 ATOM 1918 N N . HIS A 1 254 ? 17.753 7.473 15.287 1.00 23.34 ? 595 HIS A N 1 ATOM 1919 C CA . HIS A 1 254 ? 18.607 6.962 16.316 1.00 22.24 ? 595 HIS A CA 1 ATOM 1920 C C . HIS A 1 254 ? 19.664 7.989 16.732 1.00 22.42 ? 595 HIS A C 1 ATOM 1921 O O . HIS A 1 254 ? 20.253 8.699 15.883 1.00 22.09 ? 595 HIS A O 1 ATOM 1922 C CB . HIS A 1 254 ? 19.230 5.671 15.822 1.00 21.91 ? 595 HIS A CB 1 ATOM 1923 C CG . HIS A 1 254 ? 18.255 4.551 15.721 1.00 18.64 ? 595 HIS A CG 1 ATOM 1924 N ND1 . HIS A 1 254 ? 18.643 3.240 15.593 1.00 17.46 ? 595 HIS A ND1 1 ATOM 1925 C CD2 . HIS A 1 254 ? 16.904 4.544 15.731 1.00 18.59 ? 595 HIS A CD2 1 ATOM 1926 C CE1 . HIS A 1 254 ? 17.573 2.468 15.521 1.00 17.70 ? 595 HIS A CE1 1 ATOM 1927 N NE2 . HIS A 1 254 ? 16.504 3.234 15.604 1.00 18.69 ? 595 HIS A NE2 1 ATOM 1928 N N . ALA A 1 255 ? 19.875 8.086 18.042 1.00 22.26 ? 596 ALA A N 1 ATOM 1929 C CA . ALA A 1 255 ? 20.803 9.077 18.593 1.00 22.68 ? 596 ALA A CA 1 ATOM 1930 C C . ALA A 1 255 ? 21.698 8.491 19.688 1.00 23.20 ? 596 ALA A C 1 ATOM 1931 O O . ALA A 1 255 ? 21.316 7.519 20.363 1.00 23.27 ? 596 ALA A O 1 ATOM 1932 C CB . ALA A 1 255 ? 20.026 10.303 19.108 1.00 22.17 ? 596 ALA A CB 1 ATOM 1933 N N . VAL A 1 256 ? 22.900 9.058 19.807 1.00 23.43 ? 597 VAL A N 1 ATOM 1934 C CA . VAL A 1 256 ? 23.848 8.757 20.877 1.00 23.45 ? 597 VAL A CA 1 ATOM 1935 C C . VAL A 1 256 ? 23.418 9.503 22.161 1.00 24.17 ? 597 VAL A C 1 ATOM 1936 O O . VAL A 1 256 ? 23.196 10.714 22.142 1.00 23.24 ? 597 VAL A O 1 ATOM 1937 C CB . VAL A 1 256 ? 25.269 9.232 20.497 1.00 23.33 ? 597 VAL A CB 1 ATOM 1938 C CG1 . VAL A 1 256 ? 26.250 8.994 21.638 1.00 22.95 ? 597 VAL A CG1 1 ATOM 1939 C CG2 . VAL A 1 256 ? 25.761 8.566 19.197 1.00 22.95 ? 597 VAL A CG2 1 ATOM 1940 N N . VAL A 1 257 ? 23.267 8.764 23.266 1.00 25.28 ? 598 VAL A N 1 ATOM 1941 C CA . VAL A 1 257 ? 22.900 9.360 24.561 1.00 25.62 ? 598 VAL A CA 1 ATOM 1942 C C . VAL A 1 257 ? 24.060 9.159 25.522 1.00 26.55 ? 598 VAL A C 1 ATOM 1943 O O . VAL A 1 257 ? 24.852 8.212 25.369 1.00 26.53 ? 598 VAL A O 1 ATOM 1944 C CB . VAL A 1 257 ? 21.658 8.728 25.190 1.00 25.42 ? 598 VAL A CB 1 ATOM 1945 C CG1 . VAL A 1 257 ? 20.402 8.974 24.352 1.00 23.82 ? 598 VAL A CG1 1 ATOM 1946 C CG2 . VAL A 1 257 ? 21.884 7.230 25.408 1.00 27.20 ? 598 VAL A CG2 1 ATOM 1947 N N . SER A 1 258 ? 24.179 10.073 26.485 1.00 26.97 ? 599 SER A N 1 ATOM 1948 C CA . SER A 1 258 ? 25.123 9.922 27.599 1.00 27.27 ? 599 SER A CA 1 ATOM 1949 C C . SER A 1 258 ? 24.490 10.589 28.794 1.00 27.77 ? 599 SER A C 1 ATOM 1950 O O . SER A 1 258 ? 23.457 11.244 28.635 1.00 28.87 ? 599 SER A O 1 ATOM 1951 C CB . SER A 1 258 ? 26.470 10.554 27.279 1.00 26.78 ? 599 SER A CB 1 ATOM 1952 O OG . SER A 1 258 ? 26.403 11.969 27.281 1.00 27.24 ? 599 SER A OG 1 ATOM 1953 N N . ARG A 1 259 ? 25.060 10.403 29.986 1.00 28.01 ? 600 ARG A N 1 ATOM 1954 C CA . ARG A 1 259 ? 24.698 11.218 31.144 1.00 28.20 ? 600 ARG A CA 1 ATOM 1955 C C . ARG A 1 259 ? 25.005 12.687 30.856 1.00 28.80 ? 600 ARG A C 1 ATOM 1956 O O . ARG A 1 259 ? 26.066 12.987 30.300 1.00 28.25 ? 600 ARG A O 1 ATOM 1957 C CB . ARG A 1 259 ? 25.483 10.769 32.347 1.00 28.04 ? 600 ARG A CB 1 ATOM 1958 C CG . ARG A 1 259 ? 24.643 10.068 33.387 1.00 29.17 ? 600 ARG A CG 1 ATOM 1959 C CD . ARG A 1 259 ? 25.500 9.279 34.358 1.00 28.38 ? 600 ARG A CD 1 ATOM 1960 N NE . ARG A 1 259 ? 26.420 10.121 35.111 1.00 28.86 ? 600 ARG A NE 1 ATOM 1961 C CZ . ARG A 1 259 ? 27.076 9.734 36.199 1.00 27.54 ? 600 ARG A CZ 1 ATOM 1962 N NH1 . ARG A 1 259 ? 26.911 8.511 36.691 1.00 26.76 ? 600 ARG A NH1 1 ATOM 1963 N NH2 . ARG A 1 259 ? 27.872 10.589 36.813 1.00 27.33 ? 600 ARG A NH2 1 ATOM 1964 N N . SER A 1 260 ? 24.096 13.600 31.217 1.00 30.25 ? 601 SER A N 1 ATOM 1965 C CA . SER A 1 260 ? 24.346 15.039 30.950 1.00 32.16 ? 601 SER A CA 1 ATOM 1966 C C . SER A 1 260 ? 25.703 15.512 31.410 1.00 32.63 ? 601 SER A C 1 ATOM 1967 O O . SER A 1 260 ? 26.368 16.233 30.674 1.00 33.56 ? 601 SER A O 1 ATOM 1968 C CB . SER A 1 260 ? 23.263 15.982 31.460 1.00 32.06 ? 601 SER A CB 1 ATOM 1969 O OG . SER A 1 260 ? 22.469 15.379 32.472 1.00 35.53 ? 601 SER A OG 1 ATOM 1970 N N . ASP A 1 261 ? 26.146 15.098 32.590 1.00 33.37 ? 602 ASP A N 1 ATOM 1971 C CA . ASP A 1 261 ? 27.467 15.547 33.056 1.00 34.34 ? 602 ASP A CA 1 ATOM 1972 C C . ASP A 1 261 ? 28.625 15.086 32.136 1.00 34.26 ? 602 ASP A C 1 ATOM 1973 O O . ASP A 1 261 ? 29.751 15.549 32.256 1.00 34.39 ? 602 ASP A O 1 ATOM 1974 C CB . ASP A 1 261 ? 27.696 15.230 34.557 1.00 34.45 ? 602 ASP A CB 1 ATOM 1975 C CG . ASP A 1 261 ? 27.634 13.731 34.873 1.00 36.85 ? 602 ASP A CG 1 ATOM 1976 O OD1 . ASP A 1 261 ? 26.542 13.118 34.783 1.00 40.39 ? 602 ASP A OD1 1 ATOM 1977 O OD2 . ASP A 1 261 ? 28.681 13.165 35.233 1.00 38.01 ? 602 ASP A OD2 1 ATOM 1978 N N . ARG A 1 262 ? 28.332 14.210 31.184 1.00 34.69 ? 603 ARG A N 1 ATOM 1979 C CA . ARG A 1 262 ? 29.382 13.660 30.308 1.00 35.58 ? 603 ARG A CA 1 ATOM 1980 C C . ARG A 1 262 ? 29.241 14.089 28.846 1.00 34.96 ? 603 ARG A C 1 ATOM 1981 O O . ARG A 1 262 ? 30.174 13.957 28.057 1.00 34.69 ? 603 ARG A O 1 ATOM 1982 C CB . ARG A 1 262 ? 29.399 12.119 30.408 1.00 36.39 ? 603 ARG A CB 1 ATOM 1983 C CG . ARG A 1 262 ? 29.805 11.598 31.794 1.00 38.13 ? 603 ARG A CG 1 ATOM 1984 C CD . ARG A 1 262 ? 31.289 11.874 32.028 1.00 41.45 ? 603 ARG A CD 1 ATOM 1985 N NE . ARG A 1 262 ? 32.118 11.016 31.177 1.00 44.19 ? 603 ARG A NE 1 ATOM 1986 C CZ . ARG A 1 262 ? 33.375 11.278 30.842 1.00 46.80 ? 603 ARG A CZ 1 ATOM 1987 N NH1 . ARG A 1 262 ? 33.954 12.401 31.268 1.00 47.73 ? 603 ARG A NH1 1 ATOM 1988 N NH2 . ARG A 1 262 ? 34.041 10.436 30.050 1.00 47.57 ? 603 ARG A NH2 1 ATOM 1989 N N . ALA A 1 263 ? 28.060 14.616 28.527 1.00 34.62 ? 604 ALA A N 1 ATOM 1990 C CA . ALA A 1 263 ? 27.632 14.954 27.180 1.00 33.74 ? 604 ALA A CA 1 ATOM 1991 C C . ALA A 1 263 ? 28.654 15.737 26.384 1.00 33.34 ? 604 ALA A C 1 ATOM 1992 O O . ALA A 1 263 ? 28.929 15.383 25.251 1.00 33.26 ? 604 ALA A O 1 ATOM 1993 C CB . ALA A 1 263 ? 26.289 15.672 27.226 1.00 33.10 ? 604 ALA A CB 1 ATOM 1994 N N . ALA A 1 264 ? 29.217 16.787 26.971 1.00 33.60 ? 605 ALA A N 1 ATOM 1995 C CA . ALA A 1 264 ? 30.162 17.649 26.257 1.00 34.05 ? 605 ALA A CA 1 ATOM 1996 C C . ALA A 1 264 ? 31.386 16.877 25.826 1.00 34.82 ? 605 ALA A C 1 ATOM 1997 O O . ALA A 1 264 ? 31.800 16.963 24.666 1.00 34.85 ? 605 ALA A O 1 ATOM 1998 C CB . ALA A 1 264 ? 30.579 18.840 27.106 1.00 33.82 ? 605 ALA A CB 1 ATOM 1999 N N . HIS A 1 265 ? 31.961 16.125 26.760 1.00 36.04 ? 606 HIS A N 1 ATOM 2000 C CA . HIS A 1 265 ? 33.122 15.306 26.467 1.00 37.93 ? 606 HIS A CA 1 ATOM 2001 C C . HIS A 1 265 ? 32.836 14.227 25.430 1.00 37.33 ? 606 HIS A C 1 ATOM 2002 O O . HIS A 1 265 ? 33.657 14.001 24.538 1.00 37.72 ? 606 HIS A O 1 ATOM 2003 C CB . HIS A 1 265 ? 33.679 14.678 27.743 1.00 39.20 ? 606 HIS A CB 1 ATOM 2004 C CG . HIS A 1 265 ? 35.163 14.444 27.696 1.00 46.01 ? 606 HIS A CG 1 ATOM 2005 N ND1 . HIS A 1 265 ? 36.082 15.481 27.664 1.00 50.17 ? 606 HIS A ND1 1 ATOM 2006 C CD2 . HIS A 1 265 ? 35.890 13.294 27.685 1.00 51.13 ? 606 HIS A CD2 1 ATOM 2007 C CE1 . HIS A 1 265 ? 37.307 14.979 27.633 1.00 52.70 ? 606 HIS A CE1 1 ATOM 2008 N NE2 . HIS A 1 265 ? 37.221 13.656 27.645 1.00 53.36 ? 606 HIS A NE2 1 ATOM 2009 N N . VAL A 1 266 ? 31.684 13.563 25.537 1.00 36.75 ? 607 VAL A N 1 ATOM 2010 C CA . VAL A 1 266 ? 31.326 12.494 24.600 1.00 36.60 ? 607 VAL A CA 1 ATOM 2011 C C . VAL A 1 266 ? 31.200 13.061 23.179 1.00 36.84 ? 607 VAL A C 1 ATOM 2012 O O . VAL A 1 266 ? 31.683 12.471 22.214 1.00 36.99 ? 607 VAL A O 1 ATOM 2013 C CB . VAL A 1 266 ? 30.029 11.724 25.036 1.00 36.40 ? 607 VAL A CB 1 ATOM 2014 C CG1 . VAL A 1 266 ? 29.526 10.804 23.923 1.00 36.01 ? 607 VAL A CG1 1 ATOM 2015 C CG2 . VAL A 1 266 ? 30.273 10.920 26.304 1.00 35.07 ? 607 VAL A CG2 1 ATOM 2016 N N . GLU A 1 267 ? 30.563 14.218 23.070 1.00 36.99 ? 608 GLU A N 1 ATOM 2017 C CA . GLU A 1 267 ? 30.400 14.898 21.808 1.00 37.61 ? 608 GLU A CA 1 ATOM 2018 C C . GLU A 1 267 ? 31.738 15.195 21.111 1.00 38.23 ? 608 GLU A C 1 ATOM 2019 O O . GLU A 1 267 ? 31.927 14.885 19.926 1.00 38.40 ? 608 GLU A O 1 ATOM 2020 C CB . GLU A 1 267 ? 29.635 16.169 22.063 1.00 37.10 ? 608 GLU A CB 1 ATOM 2021 C CG . GLU A 1 267 ? 29.368 16.983 20.845 1.00 39.33 ? 608 GLU A CG 1 ATOM 2022 C CD . GLU A 1 267 ? 28.287 18.011 21.086 1.00 42.62 ? 608 GLU A CD 1 ATOM 2023 O OE1 . GLU A 1 267 ? 27.565 17.871 22.102 1.00 45.80 ? 608 GLU A OE1 1 ATOM 2024 O OE2 . GLU A 1 267 ? 28.149 18.952 20.266 1.00 44.56 ? 608 GLU A OE2 1 ATOM 2025 N N . GLN A 1 268 ? 32.656 15.795 21.858 1.00 38.77 ? 609 GLN A N 1 ATOM 2026 C CA . GLN A 1 268 ? 33.979 16.156 21.370 1.00 39.91 ? 609 GLN A CA 1 ATOM 2027 C C . GLN A 1 268 ? 34.738 14.935 20.787 1.00 38.94 ? 609 GLN A C 1 ATOM 2028 O O . GLN A 1 268 ? 35.245 14.978 19.662 1.00 38.45 ? 609 GLN A O 1 ATOM 2029 C CB . GLN A 1 268 ? 34.741 16.833 22.516 1.00 39.75 ? 609 GLN A CB 1 ATOM 2030 C CG . GLN A 1 268 ? 36.228 17.094 22.301 1.00 42.81 ? 609 GLN A CG 1 ATOM 2031 C CD . GLN A 1 268 ? 36.938 17.585 23.581 1.00 43.92 ? 609 GLN A CD 1 ATOM 2032 O OE1 . GLN A 1 268 ? 37.130 18.805 23.776 1.00 49.35 ? 609 GLN A OE1 1 ATOM 2033 N NE2 . GLN A 1 268 ? 37.323 16.636 24.463 1.00 47.95 ? 609 GLN A NE2 1 ATOM 2034 N N . VAL A 1 269 ? 34.783 13.837 21.535 1.00 38.26 ? 610 VAL A N 1 ATOM 2035 C CA . VAL A 1 269 ? 35.497 12.648 21.078 1.00 37.54 ? 610 VAL A CA 1 ATOM 2036 C C . VAL A 1 269 ? 34.867 12.069 19.819 1.00 37.63 ? 610 VAL A C 1 ATOM 2037 O O . VAL A 1 269 ? 35.561 11.743 18.867 1.00 37.54 ? 610 VAL A O 1 ATOM 2038 C CB . VAL A 1 269 ? 35.588 11.598 22.192 1.00 37.38 ? 610 VAL A CB 1 ATOM 2039 C CG1 . VAL A 1 269 ? 36.214 10.312 21.691 1.00 36.14 ? 610 VAL A CG1 1 ATOM 2040 C CG2 . VAL A 1 269 ? 36.388 12.168 23.350 1.00 36.41 ? 610 VAL A CG2 1 ATOM 2041 N N . LEU A 1 270 ? 33.542 11.988 19.807 1.00 37.95 ? 611 LEU A N 1 ATOM 2042 C CA . LEU A 1 270 ? 32.810 11.417 18.679 1.00 37.89 ? 611 LEU A CA 1 ATOM 2043 C C . LEU A 1 270 ? 33.011 12.120 17.355 1.00 38.22 ? 611 LEU A C 1 ATOM 2044 O O . LEU A 1 270 ? 33.138 11.462 16.327 1.00 38.01 ? 611 LEU A O 1 ATOM 2045 C CB . LEU A 1 270 ? 31.333 11.336 19.001 1.00 37.51 ? 611 LEU A CB 1 ATOM 2046 C CG . LEU A 1 270 ? 30.782 9.930 19.245 1.00 37.31 ? 611 LEU A CG 1 ATOM 2047 C CD1 . LEU A 1 270 ? 31.774 8.988 19.921 1.00 34.53 ? 611 LEU A CD1 1 ATOM 2048 C CD2 . LEU A 1 270 ? 29.468 10.053 20.035 1.00 37.75 ? 611 LEU A CD2 1 ATOM 2049 N N . LEU A 1 271 ? 33.031 13.452 17.391 1.00 38.93 ? 612 LEU A N 1 ATOM 2050 C CA . LEU A 1 271 ? 33.252 14.267 16.202 1.00 39.27 ? 612 LEU A CA 1 ATOM 2051 C C . LEU A 1 271 ? 34.654 14.052 15.688 1.00 40.35 ? 612 LEU A C 1 ATOM 2052 O O . LEU A 1 271 ? 34.863 13.960 14.476 1.00 41.11 ? 612 LEU A O 1 ATOM 2053 C CB . LEU A 1 271 ? 33.025 15.746 16.503 1.00 39.02 ? 612 LEU A CB 1 ATOM 2054 C CG . LEU A 1 271 ? 31.591 16.151 16.840 1.00 37.81 ? 612 LEU A CG 1 ATOM 2055 C CD1 . LEU A 1 271 ? 31.551 17.587 17.295 1.00 35.21 ? 612 LEU A CD1 1 ATOM 2056 C CD2 . LEU A 1 271 ? 30.669 15.901 15.649 1.00 36.24 ? 612 LEU A CD2 1 ATOM 2057 N N . HIS A 1 272 ? 35.617 13.945 16.598 1.00 41.30 ? 613 HIS A N 1 ATOM 2058 C CA . HIS A 1 272 ? 36.977 13.616 16.192 1.00 42.72 ? 613 HIS A CA 1 ATOM 2059 C C . HIS A 1 272 ? 37.101 12.178 15.693 1.00 42.70 ? 613 HIS A C 1 ATOM 2060 O O . HIS A 1 272 ? 37.928 11.889 14.836 1.00 43.79 ? 613 HIS A O 1 ATOM 2061 C CB . HIS A 1 272 ? 37.980 13.893 17.307 1.00 43.48 ? 613 HIS A CB 1 ATOM 2062 C CG . HIS A 1 272 ? 39.372 13.434 16.996 1.00 46.88 ? 613 HIS A CG 1 ATOM 2063 N ND1 . HIS A 1 272 ? 40.074 13.868 15.885 1.00 49.19 ? 613 HIS A ND1 1 ATOM 2064 C CD2 . HIS A 1 272 ? 40.194 12.572 17.648 1.00 49.70 ? 613 HIS A CD2 1 ATOM 2065 C CE1 . HIS A 1 272 ? 41.269 13.299 15.870 1.00 49.79 ? 613 HIS A CE1 1 ATOM 2066 N NE2 . HIS A 1 272 ? 41.370 12.509 16.928 1.00 51.21 ? 613 HIS A NE2 1 ATOM 2067 N N . GLN A 1 273 ? 36.279 11.280 16.219 1.00 42.47 ? 614 GLN A N 1 ATOM 2068 C CA . GLN A 1 273 ? 36.313 9.880 15.820 1.00 41.94 ? 614 GLN A CA 1 ATOM 2069 C C . GLN A 1 273 ? 35.760 9.657 14.426 1.00 42.15 ? 614 GLN A C 1 ATOM 2070 O O . GLN A 1 273 ? 36.233 8.792 13.694 1.00 41.77 ? 614 GLN A O 1 ATOM 2071 C CB . GLN A 1 273 ? 35.535 9.031 16.823 1.00 42.18 ? 614 GLN A CB 1 ATOM 2072 C CG . GLN A 1 273 ? 36.317 8.716 18.094 1.00 40.92 ? 614 GLN A CG 1 ATOM 2073 C CD . GLN A 1 273 ? 37.622 8.021 17.782 1.00 40.00 ? 614 GLN A CD 1 ATOM 2074 O OE1 . GLN A 1 273 ? 37.642 6.966 17.143 1.00 38.64 ? 614 GLN A OE1 1 ATOM 2075 N NE2 . GLN A 1 273 ? 38.727 8.617 18.218 1.00 41.18 ? 614 GLN A NE2 1 ATOM 2076 N N . GLN A 1 274 ? 34.743 10.427 14.064 1.00 42.49 ? 615 GLN A N 1 ATOM 2077 C CA . GLN A 1 274 ? 34.151 10.284 12.753 1.00 43.10 ? 615 GLN A CA 1 ATOM 2078 C C . GLN A 1 274 ? 35.011 10.977 11.688 1.00 43.84 ? 615 GLN A C 1 ATOM 2079 O O . GLN A 1 274 ? 35.099 10.510 10.544 1.00 44.17 ? 615 GLN A O 1 ATOM 2080 C CB . GLN A 1 274 ? 32.725 10.787 12.743 1.00 42.87 ? 615 GLN A CB 1 ATOM 2081 C CG . GLN A 1 274 ? 32.598 12.258 12.630 1.00 42.38 ? 615 GLN A CG 1 ATOM 2082 C CD . GLN A 1 274 ? 31.169 12.649 12.473 1.00 41.82 ? 615 GLN A CD 1 ATOM 2083 O OE1 . GLN A 1 274 ? 30.309 11.803 12.274 1.00 39.95 ? 615 GLN A OE1 1 ATOM 2084 N NE2 . GLN A 1 274 ? 30.895 13.944 12.569 1.00 44.13 ? 615 GLN A NE2 1 ATOM 2085 N N . ALA A 1 275 ? 35.667 12.070 12.070 1.00 44.07 ? 616 ALA A N 1 ATOM 2086 C CA . ALA A 1 275 ? 36.722 12.629 11.238 1.00 43.97 ? 616 ALA A CA 1 ATOM 2087 C C . ALA A 1 275 ? 37.623 11.490 10.769 1.00 44.17 ? 616 ALA A C 1 ATOM 2088 O O . ALA A 1 275 ? 38.007 11.454 9.602 1.00 45.27 ? 616 ALA A O 1 ATOM 2089 C CB . ALA A 1 275 ? 37.509 13.658 11.996 1.00 43.67 ? 616 ALA A CB 1 ATOM 2090 N N . LEU A 1 276 ? 37.906 10.540 11.658 1.00 43.78 ? 617 LEU A N 1 ATOM 2091 C CA . LEU A 1 276 ? 38.782 9.410 11.353 1.00 43.85 ? 617 LEU A CA 1 ATOM 2092 C C . LEU A 1 276 ? 38.091 8.244 10.640 1.00 43.94 ? 617 LEU A C 1 ATOM 2093 O O . LEU A 1 276 ? 38.667 7.654 9.736 1.00 44.11 ? 617 LEU A O 1 ATOM 2094 C CB . LEU A 1 276 ? 39.467 8.877 12.632 1.00 43.74 ? 617 LEU A CB 1 ATOM 2095 C CG . LEU A 1 276 ? 40.446 9.788 13.403 1.00 44.28 ? 617 LEU A CG 1 ATOM 2096 C CD1 . LEU A 1 276 ? 41.371 8.982 14.309 1.00 43.33 ? 617 LEU A CD1 1 ATOM 2097 C CD2 . LEU A 1 276 ? 41.286 10.627 12.445 1.00 43.30 ? 617 LEU A CD2 1 ATOM 2098 N N . PHE A 1 277 ? 36.870 7.901 11.050 1.00 43.94 ? 618 PHE A N 1 ATOM 2099 C CA . PHE A 1 277 ? 36.268 6.626 10.645 1.00 43.57 ? 618 PHE A CA 1 ATOM 2100 C C . PHE A 1 277 ? 34.909 6.761 9.988 1.00 43.84 ? 618 PHE A C 1 ATOM 2101 O O . PHE A 1 277 ? 34.296 5.754 9.649 1.00 43.58 ? 618 PHE A O 1 ATOM 2102 C CB . PHE A 1 277 ? 36.189 5.652 11.834 1.00 43.25 ? 618 PHE A CB 1 ATOM 2103 C CG . PHE A 1 277 ? 37.508 5.430 12.521 1.00 42.70 ? 618 PHE A CG 1 ATOM 2104 C CD1 . PHE A 1 277 ? 38.561 4.790 11.857 1.00 42.15 ? 618 PHE A CD1 1 ATOM 2105 C CD2 . PHE A 1 277 ? 37.713 5.883 13.818 1.00 41.34 ? 618 PHE A CD2 1 ATOM 2106 C CE1 . PHE A 1 277 ? 39.796 4.593 12.487 1.00 41.05 ? 618 PHE A CE1 1 ATOM 2107 C CE2 . PHE A 1 277 ? 38.946 5.706 14.454 1.00 40.91 ? 618 PHE A CE2 1 ATOM 2108 C CZ . PHE A 1 277 ? 39.991 5.060 13.786 1.00 41.32 ? 618 PHE A CZ 1 ATOM 2109 N N . GLY A 1 278 ? 34.456 7.997 9.792 1.00 44.37 ? 619 GLY A N 1 ATOM 2110 C CA . GLY A 1 278 ? 33.182 8.259 9.125 1.00 45.79 ? 619 GLY A CA 1 ATOM 2111 C C . GLY A 1 278 ? 33.207 8.070 7.614 1.00 47.04 ? 619 GLY A C 1 ATOM 2112 O O . GLY A 1 278 ? 34.173 7.514 7.069 1.00 45.91 ? 619 GLY A O 1 ATOM 2113 N N . LYS A 1 279 ? 32.142 8.552 6.953 1.00 49.12 ? 620 LYS A N 1 ATOM 2114 C CA . LYS A 1 279 ? 31.888 8.326 5.520 1.00 50.67 ? 620 LYS A CA 1 ATOM 2115 C C . LYS A 1 279 ? 33.104 8.574 4.609 1.00 51.86 ? 620 LYS A C 1 ATOM 2116 O O . LYS A 1 279 ? 33.412 7.727 3.760 1.00 52.08 ? 620 LYS A O 1 ATOM 2117 C CB . LYS A 1 279 ? 30.657 9.108 5.035 1.00 51.32 ? 620 LYS A CB 1 ATOM 2118 C CG . LYS A 1 279 ? 30.470 9.214 3.491 1.00 51.20 ? 620 LYS A CG 1 ATOM 2119 C CD . LYS A 1 279 ? 29.941 7.883 2.877 1.00 55.29 ? 620 LYS A CD 1 ATOM 2120 C CE . LYS A 1 279 ? 29.927 7.916 1.322 1.00 53.78 ? 620 LYS A CE 1 ATOM 2121 N NZ . LYS A 1 279 ? 28.760 8.674 0.793 1.00 53.54 ? 620 LYS A NZ 1 ATOM 2122 N N . ASN A 1 280 ? 33.787 9.715 4.764 1.00 52.49 ? 621 ASN A N 1 ATOM 2123 C CA . ASN A 1 280 ? 35.116 9.872 4.123 1.00 53.29 ? 621 ASN A CA 1 ATOM 2124 C C . ASN A 1 280 ? 36.189 10.261 5.142 1.00 52.98 ? 621 ASN A C 1 ATOM 2125 O O . ASN A 1 280 ? 36.921 11.225 4.952 1.00 53.32 ? 621 ASN A O 1 ATOM 2126 C CB . ASN A 1 280 ? 35.114 10.883 2.955 1.00 54.04 ? 621 ASN A CB 1 ATOM 2127 C CG . ASN A 1 280 ? 33.719 11.115 2.366 1.00 55.60 ? 621 ASN A CG 1 ATOM 2128 O OD1 . ASN A 1 280 ? 33.193 10.276 1.623 1.00 57.71 ? 621 ASN A OD1 1 ATOM 2129 N ND2 . ASN A 1 280 ? 33.126 12.269 2.686 1.00 56.17 ? 621 ASN A ND2 1 ATOM 2130 N N . GLY A 1 281 ? 36.271 9.518 6.235 1.00 52.56 ? 622 GLY A N 1 ATOM 2131 C CA . GLY A 1 281 ? 37.259 9.798 7.246 1.00 51.91 ? 622 GLY A CA 1 ATOM 2132 C C . GLY A 1 281 ? 38.605 9.338 6.752 1.00 51.85 ? 622 GLY A C 1 ATOM 2133 O O . GLY A 1 281 ? 38.695 8.535 5.812 1.00 51.62 ? 622 GLY A O 1 ATOM 2134 N N . LYS A 1 282 ? 39.647 9.840 7.410 1.00 51.70 ? 623 LYS A N 1 ATOM 2135 C CA . LYS A 1 282 ? 41.036 9.558 7.057 1.00 51.48 ? 623 LYS A CA 1 ATOM 2136 C C . LYS A 1 282 ? 41.315 8.077 6.904 1.00 50.78 ? 623 LYS A C 1 ATOM 2137 O O . LYS A 1 282 ? 42.081 7.695 6.028 1.00 50.96 ? 623 LYS A O 1 ATOM 2138 C CB . LYS A 1 282 ? 41.985 10.116 8.123 1.00 51.98 ? 623 LYS A CB 1 ATOM 2139 C CG . LYS A 1 282 ? 41.852 11.616 8.403 1.00 53.87 ? 623 LYS A CG 1 ATOM 2140 C CD . LYS A 1 282 ? 42.976 12.440 7.794 1.00 57.89 ? 623 LYS A CD 1 ATOM 2141 C CE . LYS A 1 282 ? 44.212 12.500 8.701 1.00 59.52 ? 623 LYS A CE 1 ATOM 2142 N NZ . LYS A 1 282 ? 45.052 11.253 8.686 1.00 60.54 ? 623 LYS A NZ 1 ATOM 2143 N N . ASN A 1 283 ? 40.698 7.255 7.755 1.00 50.08 ? 624 ASN A N 1 ATOM 2144 C CA . ASN A 1 283 ? 41.042 5.841 7.856 1.00 49.54 ? 624 ASN A CA 1 ATOM 2145 C C . ASN A 1 283 ? 39.957 4.906 7.410 1.00 49.14 ? 624 ASN A C 1 ATOM 2146 O O . ASN A 1 283 ? 40.046 3.682 7.621 1.00 49.07 ? 624 ASN A O 1 ATOM 2147 C CB . ASN A 1 283 ? 41.456 5.490 9.270 1.00 50.09 ? 624 ASN A CB 1 ATOM 2148 C CG . ASN A 1 283 ? 42.719 6.183 9.673 1.00 51.50 ? 624 ASN A CG 1 ATOM 2149 O OD1 . ASN A 1 283 ? 43.543 6.525 8.817 1.00 54.19 ? 624 ASN A OD1 1 ATOM 2150 N ND2 . ASN A 1 283 ? 42.879 6.427 10.971 1.00 50.64 ? 624 ASN A ND2 1 ATOM 2151 N N . CYS A 1 284 ? 38.936 5.473 6.783 1.00 47.79 ? 625 CYS A N 1 ATOM 2152 C CA . CYS A 1 284 ? 37.931 4.658 6.154 1.00 48.31 ? 625 CYS A CA 1 ATOM 2153 C C . CYS A 1 284 ? 37.959 4.930 4.650 1.00 49.50 ? 625 CYS A C 1 ATOM 2154 O O . CYS A 1 284 ? 37.969 6.096 4.246 1.00 50.03 ? 625 CYS A O 1 ATOM 2155 C CB . CYS A 1 284 ? 36.571 4.977 6.758 1.00 47.46 ? 625 CYS A CB 1 ATOM 2156 S SG . CYS A 1 284 ? 35.194 4.245 5.907 1.00 44.35 ? 625 CYS A SG 1 ATOM 2157 N N . PRO A 1 285 ? 37.910 3.871 3.807 1.00 50.38 ? 626 PRO A N 1 ATOM 2158 C CA . PRO A 1 285 ? 37.830 2.418 4.077 1.00 50.97 ? 626 PRO A CA 1 ATOM 2159 C C . PRO A 1 285 ? 39.151 1.695 4.331 1.00 51.84 ? 626 PRO A C 1 ATOM 2160 O O . PRO A 1 285 ? 39.168 0.464 4.470 1.00 51.92 ? 626 PRO A O 1 ATOM 2161 C CB . PRO A 1 285 ? 37.146 1.860 2.809 1.00 50.73 ? 626 PRO A CB 1 ATOM 2162 C CG . PRO A 1 285 ? 36.719 3.094 1.994 1.00 50.47 ? 626 PRO A CG 1 ATOM 2163 C CD . PRO A 1 285 ? 37.746 4.134 2.366 1.00 50.27 ? 626 PRO A CD 1 ATOM 2164 N N . ASP A 1 286 ? 40.240 2.451 4.425 1.00 52.78 ? 627 ASP A N 1 ATOM 2165 C CA . ASP A 1 286 ? 41.588 1.861 4.535 1.00 53.27 ? 627 ASP A CA 1 ATOM 2166 C C . ASP A 1 286 ? 41.709 0.968 5.757 1.00 52.50 ? 627 ASP A C 1 ATOM 2167 O O . ASP A 1 286 ? 41.926 -0.233 5.639 1.00 52.50 ? 627 ASP A O 1 ATOM 2168 C CB . ASP A 1 286 ? 42.661 2.963 4.546 1.00 53.75 ? 627 ASP A CB 1 ATOM 2169 C CG . ASP A 1 286 ? 42.328 4.107 3.573 1.00 56.57 ? 627 ASP A CG 1 ATOM 2170 O OD1 . ASP A 1 286 ? 42.377 3.842 2.322 1.00 58.29 ? 627 ASP A OD1 1 ATOM 2171 O OD2 . ASP A 1 286 ? 41.993 5.238 4.063 1.00 55.12 ? 627 ASP A OD2 1 ATOM 2172 N N . LYS A 1 287 ? 41.544 1.549 6.935 1.00 51.98 ? 628 LYS A N 1 ATOM 2173 C CA . LYS A 1 287 ? 41.766 0.779 8.152 1.00 51.04 ? 628 LYS A CA 1 ATOM 2174 C C . LYS A 1 287 ? 40.476 0.309 8.834 1.00 49.63 ? 628 LYS A C 1 ATOM 2175 O O . LYS A 1 287 ? 40.362 -0.871 9.152 1.00 50.01 ? 628 LYS A O 1 ATOM 2176 C CB . LYS A 1 287 ? 42.743 1.495 9.096 1.00 51.24 ? 628 LYS A CB 1 ATOM 2177 C CG . LYS A 1 287 ? 44.137 1.666 8.473 1.00 53.11 ? 628 LYS A CG 1 ATOM 2178 C CD . LYS A 1 287 ? 45.267 1.770 9.523 1.00 57.22 ? 628 LYS A CD 1 ATOM 2179 C CE . LYS A 1 287 ? 46.146 0.494 9.598 1.00 59.01 ? 628 LYS A CE 1 ATOM 2180 N NZ . LYS A 1 287 ? 45.641 -0.568 10.549 1.00 59.74 ? 628 LYS A NZ 1 ATOM 2181 N N . PHE A 1 288 ? 39.493 1.197 9.015 1.00 47.68 ? 629 PHE A N 1 ATOM 2182 C CA . PHE A 1 288 ? 38.266 0.838 9.752 1.00 45.29 ? 629 PHE A CA 1 ATOM 2183 C C . PHE A 1 288 ? 37.125 1.824 9.472 1.00 44.36 ? 629 PHE A C 1 ATOM 2184 O O . PHE A 1 288 ? 37.327 3.035 9.436 1.00 43.72 ? 629 PHE A O 1 ATOM 2185 C CB . PHE A 1 288 ? 38.594 0.712 11.265 1.00 44.67 ? 629 PHE A CB 1 ATOM 2186 C CG . PHE A 1 288 ? 37.388 0.638 12.174 1.00 43.33 ? 629 PHE A CG 1 ATOM 2187 C CD1 . PHE A 1 288 ? 36.711 -0.576 12.377 1.00 42.11 ? 629 PHE A CD1 1 ATOM 2188 C CD2 . PHE A 1 288 ? 36.951 1.768 12.863 1.00 40.16 ? 629 PHE A CD2 1 ATOM 2189 C CE1 . PHE A 1 288 ? 35.595 -0.657 13.219 1.00 40.21 ? 629 PHE A CE1 1 ATOM 2190 C CE2 . PHE A 1 288 ? 35.852 1.689 13.712 1.00 40.18 ? 629 PHE A CE2 1 ATOM 2191 C CZ . PHE A 1 288 ? 35.169 0.464 13.889 1.00 40.71 ? 629 PHE A CZ 1 ATOM 2192 N N . CYS A 1 289 ? 35.923 1.299 9.258 1.00 43.59 ? 630 CYS A N 1 ATOM 2193 C CA . CYS A 1 289 ? 34.755 2.155 9.031 1.00 42.91 ? 630 CYS A CA 1 ATOM 2194 C C . CYS A 1 289 ? 33.713 1.977 10.136 1.00 42.96 ? 630 CYS A C 1 ATOM 2195 O O . CYS A 1 289 ? 33.077 0.912 10.265 1.00 42.99 ? 630 CYS A O 1 ATOM 2196 C CB . CYS A 1 289 ? 34.154 1.931 7.628 1.00 42.74 ? 630 CYS A CB 1 ATOM 2197 S SG . CYS A 1 289 ? 35.333 2.255 6.244 1.00 41.73 ? 630 CYS A SG 1 ATOM 2198 N N . LEU A 1 290 ? 33.562 3.032 10.935 1.00 42.37 ? 631 LEU A N 1 ATOM 2199 C CA . LEU A 1 290 ? 32.555 3.120 11.977 1.00 42.16 ? 631 LEU A CA 1 ATOM 2200 C C . LEU A 1 290 ? 31.119 2.755 11.540 1.00 42.62 ? 631 LEU A C 1 ATOM 2201 O O . LEU A 1 290 ? 30.388 2.104 12.291 1.00 42.13 ? 631 LEU A O 1 ATOM 2202 C CB . LEU A 1 290 ? 32.582 4.524 12.584 1.00 41.93 ? 631 LEU A CB 1 ATOM 2203 C CG . LEU A 1 290 ? 32.015 4.716 13.995 1.00 42.27 ? 631 LEU A CG 1 ATOM 2204 C CD1 . LEU A 1 290 ? 32.649 3.754 14.992 1.00 41.82 ? 631 LEU A CD1 1 ATOM 2205 C CD2 . LEU A 1 290 ? 32.204 6.148 14.457 1.00 42.37 ? 631 LEU A CD2 1 ATOM 2206 N N . PHE A 1 291 ? 30.713 3.155 10.335 1.00 43.44 ? 632 PHE A N 1 ATOM 2207 C CA . PHE A 1 291 ? 29.329 2.953 9.922 1.00 44.30 ? 632 PHE A CA 1 ATOM 2208 C C . PHE A 1 291 ? 29.112 1.767 8.979 1.00 45.44 ? 632 PHE A C 1 ATOM 2209 O O . PHE A 1 291 ? 28.124 1.722 8.267 1.00 45.48 ? 632 PHE A O 1 ATOM 2210 C CB . PHE A 1 291 ? 28.744 4.245 9.359 1.00 44.08 ? 632 PHE A CB 1 ATOM 2211 C CG . PHE A 1 291 ? 28.993 5.450 10.229 1.00 43.69 ? 632 PHE A CG 1 ATOM 2212 C CD1 . PHE A 1 291 ? 28.699 5.420 11.587 1.00 43.10 ? 632 PHE A CD1 1 ATOM 2213 C CD2 . PHE A 1 291 ? 29.526 6.611 9.692 1.00 43.81 ? 632 PHE A CD2 1 ATOM 2214 C CE1 . PHE A 1 291 ? 28.939 6.513 12.391 1.00 42.12 ? 632 PHE A CE1 1 ATOM 2215 C CE2 . PHE A 1 291 ? 29.770 7.721 10.496 1.00 44.14 ? 632 PHE A CE2 1 ATOM 2216 C CZ . PHE A 1 291 ? 29.475 7.668 11.849 1.00 43.72 ? 632 PHE A CZ 1 ATOM 2217 N N . LYS A 1 292 ? 30.019 0.794 9.020 1.00 47.21 ? 633 LYS A N 1 ATOM 2218 C CA . LYS A 1 292 ? 29.916 -0.427 8.219 1.00 48.90 ? 633 LYS A CA 1 ATOM 2219 C C . LYS A 1 292 ? 29.957 -1.689 9.070 1.00 49.27 ? 633 LYS A C 1 ATOM 2220 O O . LYS A 1 292 ? 30.619 -1.740 10.094 1.00 49.19 ? 633 LYS A O 1 ATOM 2221 C CB . LYS A 1 292 ? 31.070 -0.489 7.228 1.00 49.73 ? 633 LYS A CB 1 ATOM 2222 C CG . LYS A 1 292 ? 30.667 -0.832 5.805 1.00 52.83 ? 633 LYS A CG 1 ATOM 2223 C CD . LYS A 1 292 ? 30.651 0.417 4.938 1.00 57.16 ? 633 LYS A CD 1 ATOM 2224 C CE . LYS A 1 292 ? 29.507 1.342 5.340 1.00 60.29 ? 633 LYS A CE 1 ATOM 2225 N NZ . LYS A 1 292 ? 29.604 2.682 4.682 1.00 63.96 ? 633 LYS A NZ 1 ATOM 2226 N N . SER A 1 293 ? 29.239 -2.703 8.606 1.00 50.40 ? 634 SER A N 1 ATOM 2227 C CA . SER A 1 293 ? 29.130 -4.051 9.195 1.00 51.11 ? 634 SER A CA 1 ATOM 2228 C C . SER A 1 293 ? 28.164 -4.697 8.214 1.00 52.20 ? 634 SER A C 1 ATOM 2229 O O . SER A 1 293 ? 27.171 -4.068 7.843 1.00 52.58 ? 634 SER A O 1 ATOM 2230 C CB . SER A 1 293 ? 28.530 -4.031 10.610 1.00 50.95 ? 634 SER A CB 1 ATOM 2231 O OG . SER A 1 293 ? 27.421 -3.143 10.748 1.00 49.52 ? 634 SER A OG 1 ATOM 2232 N N . GLU A 1 294 ? 28.446 -5.904 7.736 1.00 53.26 ? 635 GLU A N 1 ATOM 2233 C CA . GLU A 1 294 ? 27.682 -6.425 6.569 1.00 54.02 ? 635 GLU A CA 1 ATOM 2234 C C . GLU A 1 294 ? 26.157 -6.503 6.816 1.00 53.13 ? 635 GLU A C 1 ATOM 2235 O O . GLU A 1 294 ? 25.621 -7.562 7.219 1.00 53.20 ? 635 GLU A O 1 ATOM 2236 C CB . GLU A 1 294 ? 28.235 -7.772 6.061 1.00 55.14 ? 635 GLU A CB 1 ATOM 2237 C CG . GLU A 1 294 ? 29.701 -7.726 5.585 1.00 58.34 ? 635 GLU A CG 1 ATOM 2238 C CD . GLU A 1 294 ? 30.672 -8.053 6.713 1.00 62.94 ? 635 GLU A CD 1 ATOM 2239 O OE1 . GLU A 1 294 ? 31.623 -7.256 6.929 1.00 63.72 ? 635 GLU A OE1 1 ATOM 2240 O OE2 . GLU A 1 294 ? 30.460 -9.101 7.390 1.00 64.40 ? 635 GLU A OE2 1 ATOM 2241 N N . THR A 1 295 ? 25.489 -5.366 6.560 1.00 51.48 ? 636 THR A N 1 ATOM 2242 C CA . THR A 1 295 ? 24.046 -5.144 6.807 1.00 49.42 ? 636 THR A CA 1 ATOM 2243 C C . THR A 1 295 ? 23.549 -5.508 8.221 1.00 47.65 ? 636 THR A C 1 ATOM 2244 O O . THR A 1 295 ? 22.342 -5.729 8.427 1.00 47.62 ? 636 THR A O 1 ATOM 2245 C CB . THR A 1 295 ? 23.160 -5.866 5.769 1.00 49.83 ? 636 THR A CB 1 ATOM 2246 O OG1 . THR A 1 295 ? 23.632 -7.214 5.613 1.00 50.16 ? 636 THR A OG1 1 ATOM 2247 C CG2 . THR A 1 295 ? 23.144 -5.111 4.417 1.00 49.70 ? 636 THR A CG2 1 ATOM 2248 N N . LYS A 1 296 ? 24.462 -5.574 9.188 1.00 44.93 ? 637 LYS A N 1 ATOM 2249 C CA . LYS A 1 296 ? 24.072 -5.979 10.526 1.00 42.03 ? 637 LYS A CA 1 ATOM 2250 C C . LYS A 1 296 ? 23.774 -4.823 11.471 1.00 39.97 ? 637 LYS A C 1 ATOM 2251 O O . LYS A 1 296 ? 23.319 -5.056 12.580 1.00 40.06 ? 637 LYS A O 1 ATOM 2252 C CB . LYS A 1 296 ? 25.090 -6.942 11.119 1.00 42.58 ? 637 LYS A CB 1 ATOM 2253 C CG . LYS A 1 296 ? 24.909 -8.367 10.664 1.00 43.18 ? 637 LYS A CG 1 ATOM 2254 C CD . LYS A 1 296 ? 26.249 -8.981 10.271 1.00 47.61 ? 637 LYS A CD 1 ATOM 2255 C CE . LYS A 1 296 ? 26.997 -9.605 11.456 1.00 48.98 ? 637 LYS A CE 1 ATOM 2256 N NZ . LYS A 1 296 ? 26.179 -10.605 12.230 1.00 49.46 ? 637 LYS A NZ 1 ATOM 2257 N N . ASN A 1 297 ? 23.976 -3.584 11.020 1.00 37.37 ? 638 ASN A N 1 ATOM 2258 C CA . ASN A 1 297 ? 23.684 -2.396 11.841 1.00 35.12 ? 638 ASN A CA 1 ATOM 2259 C C . ASN A 1 297 ? 24.218 -2.493 13.284 1.00 33.79 ? 638 ASN A C 1 ATOM 2260 O O . ASN A 1 297 ? 23.461 -2.420 14.234 1.00 33.25 ? 638 ASN A O 1 ATOM 2261 C CB . ASN A 1 297 ? 22.178 -2.063 11.844 1.00 34.89 ? 638 ASN A CB 1 ATOM 2262 C CG . ASN A 1 297 ? 21.605 -1.836 10.430 1.00 33.92 ? 638 ASN A CG 1 ATOM 2263 O OD1 . ASN A 1 297 ? 22.217 -1.175 9.595 1.00 35.92 ? 638 ASN A OD1 1 ATOM 2264 N ND2 . ASN A 1 297 ? 20.417 -2.367 10.181 1.00 28.50 ? 638 ASN A ND2 1 ATOM 2265 N N . LEU A 1 298 ? 25.527 -2.671 13.425 1.00 32.49 ? 639 LEU A N 1 ATOM 2266 C CA . LEU A 1 298 ? 26.145 -2.874 14.724 1.00 31.43 ? 639 LEU A CA 1 ATOM 2267 C C . LEU A 1 298 ? 26.683 -1.543 15.205 1.00 30.73 ? 639 LEU A C 1 ATOM 2268 O O . LEU A 1 298 ? 27.386 -0.849 14.465 1.00 30.86 ? 639 LEU A O 1 ATOM 2269 C CB . LEU A 1 298 ? 27.265 -3.923 14.643 1.00 31.30 ? 639 LEU A CB 1 ATOM 2270 C CG . LEU A 1 298 ? 26.915 -5.314 14.071 1.00 31.55 ? 639 LEU A CG 1 ATOM 2271 C CD1 . LEU A 1 298 ? 28.141 -6.166 13.944 1.00 30.00 ? 639 LEU A CD1 1 ATOM 2272 C CD2 . LEU A 1 298 ? 25.869 -6.068 14.903 1.00 32.20 ? 639 LEU A CD2 1 ATOM 2273 N N . LEU A 1 299 ? 26.343 -1.198 16.447 1.00 29.70 ? 640 LEU A N 1 ATOM 2274 C CA . LEU A 1 299 ? 26.581 0.129 17.039 1.00 28.72 ? 640 LEU A CA 1 ATOM 2275 C C . LEU A 1 299 ? 25.848 1.248 16.297 1.00 28.59 ? 640 LEU A C 1 ATOM 2276 O O . LEU A 1 299 ? 25.236 2.103 16.922 1.00 27.96 ? 640 LEU A O 1 ATOM 2277 C CB . LEU A 1 299 ? 28.075 0.454 17.142 1.00 28.44 ? 640 LEU A CB 1 ATOM 2278 C CG . LEU A 1 299 ? 29.096 -0.609 17.550 1.00 26.96 ? 640 LEU A CG 1 ATOM 2279 C CD1 . LEU A 1 299 ? 30.476 0.030 17.536 1.00 26.62 ? 640 LEU A CD1 1 ATOM 2280 C CD2 . LEU A 1 299 ? 28.803 -1.231 18.894 1.00 25.19 ? 640 LEU A CD2 1 ATOM 2281 N N . PHE A 1 300 ? 25.926 1.235 14.962 1.00 28.77 ? 641 PHE A N 1 ATOM 2282 C CA . PHE A 1 300 ? 25.246 2.215 14.111 1.00 28.76 ? 641 PHE A CA 1 ATOM 2283 C C . PHE A 1 300 ? 24.548 1.547 12.940 1.00 29.17 ? 641 PHE A C 1 ATOM 2284 O O . PHE A 1 300 ? 24.953 0.454 12.505 1.00 28.84 ? 641 PHE A O 1 ATOM 2285 C CB . PHE A 1 300 ? 26.250 3.229 13.587 1.00 27.97 ? 641 PHE A CB 1 ATOM 2286 C CG . PHE A 1 300 ? 26.917 3.991 14.666 1.00 28.79 ? 641 PHE A CG 1 ATOM 2287 C CD1 . PHE A 1 300 ? 26.237 5.043 15.316 1.00 29.05 ? 641 PHE A CD1 1 ATOM 2288 C CD2 . PHE A 1 300 ? 28.209 3.645 15.083 1.00 26.74 ? 641 PHE A CD2 1 ATOM 2289 C CE1 . PHE A 1 300 ? 26.848 5.763 16.344 1.00 28.35 ? 641 PHE A CE1 1 ATOM 2290 C CE2 . PHE A 1 300 ? 28.834 4.354 16.111 1.00 26.62 ? 641 PHE A CE2 1 ATOM 2291 C CZ . PHE A 1 300 ? 28.158 5.419 16.743 1.00 27.58 ? 641 PHE A CZ 1 ATOM 2292 N N . ASN A 1 301 ? 23.513 2.215 12.428 1.00 29.60 ? 642 ASN A N 1 ATOM 2293 C CA . ASN A 1 301 ? 22.895 1.836 11.171 1.00 30.43 ? 642 ASN A CA 1 ATOM 2294 C C . ASN A 1 301 ? 23.896 1.995 10.078 1.00 31.97 ? 642 ASN A C 1 ATOM 2295 O O . ASN A 1 301 ? 24.621 3.003 10.043 1.00 32.98 ? 642 ASN A O 1 ATOM 2296 C CB . ASN A 1 301 ? 21.709 2.725 10.867 1.00 29.97 ? 642 ASN A CB 1 ATOM 2297 C CG . ASN A 1 301 ? 20.543 2.429 11.744 1.00 29.64 ? 642 ASN A CG 1 ATOM 2298 O OD1 . ASN A 1 301 ? 20.121 1.281 11.858 1.00 29.17 ? 642 ASN A OD1 1 ATOM 2299 N ND2 . ASN A 1 301 ? 20.033 3.451 12.419 1.00 30.53 ? 642 ASN A ND2 1 ATOM 2300 N N . ASP A 1 302 ? 23.933 1.011 9.179 1.00 33.20 ? 643 ASP A N 1 ATOM 2301 C CA . ASP A 1 302 ? 24.899 0.986 8.097 1.00 34.26 ? 643 ASP A CA 1 ATOM 2302 C C . ASP A 1 302 ? 24.721 2.109 7.100 1.00 34.68 ? 643 ASP A C 1 ATOM 2303 O O . ASP A 1 302 ? 25.628 2.350 6.322 1.00 35.32 ? 643 ASP A O 1 ATOM 2304 C CB . ASP A 1 302 ? 24.861 -0.339 7.348 1.00 34.47 ? 643 ASP A CB 1 ATOM 2305 C CG . ASP A 1 302 ? 25.473 -1.481 8.133 1.00 37.47 ? 643 ASP A CG 1 ATOM 2306 O OD1 . ASP A 1 302 ? 26.470 -1.324 8.878 1.00 37.78 ? 643 ASP A OD1 1 ATOM 2307 O OD2 . ASP A 1 302 ? 24.928 -2.584 7.996 1.00 43.54 ? 643 ASP A OD2 1 ATOM 2308 N N . ASN A 1 303 ? 23.572 2.785 7.097 1.00 35.35 ? 644 ASN A N 1 ATOM 2309 C CA . ASN A 1 303 ? 23.351 3.894 6.143 1.00 36.40 ? 644 ASN A CA 1 ATOM 2310 C C . ASN A 1 303 ? 23.710 5.297 6.694 1.00 37.45 ? 644 ASN A C 1 ATOM 2311 O O . ASN A 1 303 ? 23.364 6.332 6.097 1.00 37.93 ? 644 ASN A O 1 ATOM 2312 C CB . ASN A 1 303 ? 21.918 3.876 5.594 1.00 35.85 ? 644 ASN A CB 1 ATOM 2313 C CG . ASN A 1 303 ? 20.868 3.969 6.695 1.00 35.69 ? 644 ASN A CG 1 ATOM 2314 O OD1 . ASN A 1 303 ? 21.190 4.185 7.870 1.00 36.34 ? 644 ASN A OD1 1 ATOM 2315 N ND2 . ASN A 1 303 ? 19.610 3.826 6.318 1.00 31.97 ? 644 ASN A ND2 1 ATOM 2316 N N . THR A 1 304 ? 24.405 5.331 7.830 1.00 38.22 ? 645 THR A N 1 ATOM 2317 C CA . THR A 1 304 ? 24.750 6.602 8.452 1.00 38.30 ? 645 THR A CA 1 ATOM 2318 C C . THR A 1 304 ? 25.852 7.285 7.647 1.00 38.88 ? 645 THR A C 1 ATOM 2319 O O . THR A 1 304 ? 26.943 6.771 7.480 1.00 38.49 ? 645 THR A O 1 ATOM 2320 C CB . THR A 1 304 ? 25.101 6.442 9.967 1.00 37.86 ? 645 THR A CB 1 ATOM 2321 O OG1 . THR A 1 304 ? 24.073 5.693 10.613 1.00 36.48 ? 645 THR A OG1 1 ATOM 2322 C CG2 . THR A 1 304 ? 25.168 7.770 10.639 1.00 37.13 ? 645 THR A CG2 1 ATOM 2323 N N . GLU A 1 305 ? 25.520 8.449 7.129 1.00 40.33 ? 646 GLU A N 1 ATOM 2324 C CA . GLU A 1 305 ? 26.462 9.327 6.466 1.00 42.60 ? 646 GLU A CA 1 ATOM 2325 C C . GLU A 1 305 ? 27.392 9.936 7.523 1.00 41.43 ? 646 GLU A C 1 ATOM 2326 O O . GLU A 1 305 ? 28.610 9.910 7.381 1.00 41.51 ? 646 GLU A O 1 ATOM 2327 C CB . GLU A 1 305 ? 25.676 10.431 5.731 1.00 42.60 ? 646 GLU A CB 1 ATOM 2328 C CG . GLU A 1 305 ? 26.258 10.935 4.411 1.00 46.21 ? 646 GLU A CG 1 ATOM 2329 C CD . GLU A 1 305 ? 25.588 12.259 3.923 1.00 48.37 ? 646 GLU A CD 1 ATOM 2330 O OE1 . GLU A 1 305 ? 24.383 12.260 3.505 1.00 54.95 ? 646 GLU A OE1 1 ATOM 2331 O OE2 . GLU A 1 305 ? 26.287 13.314 3.947 1.00 56.38 ? 646 GLU A OE2 1 ATOM 2332 N N . CYS A 1 306 ? 26.817 10.476 8.595 1.00 41.18 ? 647 CYS A N 1 ATOM 2333 C CA . CYS A 1 306 ? 27.607 11.104 9.664 1.00 40.73 ? 647 CYS A CA 1 ATOM 2334 C C . CYS A 1 306 ? 26.716 11.205 10.890 1.00 39.34 ? 647 CYS A C 1 ATOM 2335 O O . CYS A 1 306 ? 25.497 10.977 10.795 1.00 38.87 ? 647 CYS A O 1 ATOM 2336 C CB . CYS A 1 306 ? 28.051 12.520 9.253 1.00 41.09 ? 647 CYS A CB 1 ATOM 2337 S SG . CYS A 1 306 ? 26.707 13.718 9.448 1.00 44.50 ? 647 CYS A SG 1 ATOM 2338 N N . LEU A 1 307 ? 27.317 11.582 12.020 1.00 37.87 ? 648 LEU A N 1 ATOM 2339 C CA . LEU A 1 307 ? 26.575 11.955 13.218 1.00 36.56 ? 648 LEU A CA 1 ATOM 2340 C C . LEU A 1 307 ? 26.478 13.465 13.258 1.00 36.42 ? 648 LEU A C 1 ATOM 2341 O O . LEU A 1 307 ? 27.492 14.168 13.125 1.00 36.60 ? 648 LEU A O 1 ATOM 2342 C CB . LEU A 1 307 ? 27.289 11.467 14.473 1.00 36.26 ? 648 LEU A CB 1 ATOM 2343 C CG . LEU A 1 307 ? 27.567 9.980 14.603 1.00 35.91 ? 648 LEU A CG 1 ATOM 2344 C CD1 . LEU A 1 307 ? 28.674 9.768 15.651 1.00 36.40 ? 648 LEU A CD1 1 ATOM 2345 C CD2 . LEU A 1 307 ? 26.284 9.229 14.961 1.00 34.71 ? 648 LEU A CD2 1 ATOM 2346 N N . ALA A 1 308 ? 25.263 13.963 13.446 1.00 36.06 ? 649 ALA A N 1 ATOM 2347 C CA . ALA A 1 308 ? 24.977 15.385 13.364 1.00 35.92 ? 649 ALA A CA 1 ATOM 2348 C C . ALA A 1 308 ? 24.774 16.003 14.734 1.00 36.54 ? 649 ALA A C 1 ATOM 2349 O O . ALA A 1 308 ? 24.207 15.373 15.644 1.00 36.44 ? 649 ALA A O 1 ATOM 2350 C CB . ALA A 1 308 ? 23.746 15.624 12.498 1.00 35.17 ? 649 ALA A CB 1 ATOM 2351 N N . LYS A 1 309 ? 25.233 17.252 14.862 1.00 37.37 ? 650 LYS A N 1 ATOM 2352 C CA . LYS A 1 309 ? 24.969 18.098 16.028 1.00 37.69 ? 650 LYS A CA 1 ATOM 2353 C C . LYS A 1 309 ? 23.470 18.326 16.104 1.00 37.29 ? 650 LYS A C 1 ATOM 2354 O O . LYS A 1 309 ? 22.756 17.979 15.178 1.00 37.03 ? 650 LYS A O 1 ATOM 2355 C CB . LYS A 1 309 ? 25.725 19.434 15.913 1.00 37.79 ? 650 LYS A CB 1 ATOM 2356 C CG . LYS A 1 309 ? 27.265 19.308 15.973 1.00 38.74 ? 650 LYS A CG 1 ATOM 2357 C CD . LYS A 1 309 ? 27.961 20.670 16.136 1.00 38.94 ? 650 LYS A CD 1 ATOM 2358 C CE . LYS A 1 309 ? 29.442 20.654 15.640 1.00 40.29 ? 650 LYS A CE 1 ATOM 2359 N NZ . LYS A 1 309 ? 30.374 21.484 16.525 1.00 42.21 ? 650 LYS A NZ 1 ATOM 2360 N N . LEU A 1 310 ? 23.004 18.901 17.208 1.00 37.35 ? 651 LEU A N 1 ATOM 2361 C CA . LEU A 1 310 ? 21.586 19.111 17.449 1.00 36.99 ? 651 LEU A CA 1 ATOM 2362 C C . LEU A 1 310 ? 21.319 20.576 17.772 1.00 38.63 ? 651 LEU A C 1 ATOM 2363 O O . LEU A 1 310 ? 21.736 21.082 18.829 1.00 39.51 ? 651 LEU A O 1 ATOM 2364 C CB . LEU A 1 310 ? 21.118 18.215 18.597 1.00 35.96 ? 651 LEU A CB 1 ATOM 2365 C CG . LEU A 1 310 ? 21.273 16.689 18.508 1.00 33.04 ? 651 LEU A CG 1 ATOM 2366 C CD1 . LEU A 1 310 ? 20.710 16.051 19.729 1.00 30.29 ? 651 LEU A CD1 1 ATOM 2367 C CD2 . LEU A 1 310 ? 20.559 16.120 17.309 1.00 31.70 ? 651 LEU A CD2 1 ATOM 2368 N N . GLY A 1 311 ? 20.638 21.274 16.863 1.00 39.65 ? 652 GLY A N 1 ATOM 2369 C CA . GLY A 1 311 ? 20.346 22.691 17.068 1.00 40.48 ? 652 GLY A CA 1 ATOM 2370 C C . GLY A 1 311 ? 19.392 22.854 18.240 1.00 41.53 ? 652 GLY A C 1 ATOM 2371 O O . GLY A 1 311 ? 18.476 22.052 18.423 1.00 42.13 ? 652 GLY A O 1 ATOM 2372 N N . GLY A 1 312 ? 19.611 23.880 19.054 1.00 41.76 ? 653 GLY A N 1 ATOM 2373 C CA . GLY A 1 312 ? 18.653 24.230 20.109 1.00 41.73 ? 653 GLY A CA 1 ATOM 2374 C C . GLY A 1 312 ? 18.784 23.399 21.367 1.00 41.73 ? 653 GLY A C 1 ATOM 2375 O O . GLY A 1 312 ? 17.838 23.320 22.138 1.00 41.75 ? 653 GLY A O 1 ATOM 2376 N N . ARG A 1 313 ? 19.971 22.823 21.571 1.00 41.39 ? 654 ARG A N 1 ATOM 2377 C CA . ARG A 1 313 ? 20.265 21.909 22.663 1.00 41.51 ? 654 ARG A CA 1 ATOM 2378 C C . ARG A 1 313 ? 19.028 21.163 23.210 1.00 39.95 ? 654 ARG A C 1 ATOM 2379 O O . ARG A 1 313 ? 18.670 21.324 24.368 1.00 40.43 ? 654 ARG A O 1 ATOM 2380 C CB . ARG A 1 313 ? 21.047 22.622 23.782 1.00 42.40 ? 654 ARG A CB 1 ATOM 2381 C CG . ARG A 1 313 ? 22.426 23.146 23.380 1.00 47.10 ? 654 ARG A CG 1 ATOM 2382 C CD . ARG A 1 313 ? 23.536 22.648 24.357 1.00 56.32 ? 654 ARG A CD 1 ATOM 2383 N NE . ARG A 1 313 ? 24.764 23.453 24.261 1.00 61.64 ? 654 ARG A NE 1 ATOM 2384 C CZ . ARG A 1 313 ? 25.889 23.084 23.634 1.00 65.73 ? 654 ARG A CZ 1 ATOM 2385 N NH1 . ARG A 1 313 ? 25.999 21.894 23.040 1.00 67.32 ? 654 ARG A NH1 1 ATOM 2386 N NH2 . ARG A 1 313 ? 26.928 23.913 23.599 1.00 67.05 ? 654 ARG A NH2 1 ATOM 2387 N N . PRO A 1 314 ? 18.381 20.322 22.382 1.00 38.61 ? 655 PRO A N 1 ATOM 2388 C CA . PRO A 1 314 ? 17.082 19.850 22.823 1.00 37.70 ? 655 PRO A CA 1 ATOM 2389 C C . PRO A 1 314 ? 17.164 18.858 23.984 1.00 36.75 ? 655 PRO A C 1 ATOM 2390 O O . PRO A 1 314 ? 18.128 18.106 24.085 1.00 36.05 ? 655 PRO A O 1 ATOM 2391 C CB . PRO A 1 314 ? 16.527 19.165 21.562 1.00 37.53 ? 655 PRO A CB 1 ATOM 2392 C CG . PRO A 1 314 ? 17.739 18.673 20.863 1.00 37.09 ? 655 PRO A CG 1 ATOM 2393 C CD . PRO A 1 314 ? 18.734 19.767 21.060 1.00 38.58 ? 655 PRO A CD 1 ATOM 2394 N N . THR A 1 315 ? 16.150 18.875 24.845 1.00 35.96 ? 656 THR A N 1 ATOM 2395 C CA . THR A 1 315 ? 15.959 17.812 25.820 1.00 35.84 ? 656 THR A CA 1 ATOM 2396 C C . THR A 1 315 ? 15.441 16.557 25.095 1.00 35.76 ? 656 THR A C 1 ATOM 2397 O O . THR A 1 315 ? 15.275 16.560 23.873 1.00 35.80 ? 656 THR A O 1 ATOM 2398 C CB . THR A 1 315 ? 14.991 18.223 26.961 1.00 35.64 ? 656 THR A CB 1 ATOM 2399 O OG1 . THR A 1 315 ? 13.709 18.505 26.412 1.00 36.56 ? 656 THR A OG1 1 ATOM 2400 C CG2 . THR A 1 315 ? 15.490 19.457 27.684 1.00 34.41 ? 656 THR A CG2 1 ATOM 2401 N N . TYR A 1 316 ? 15.189 15.485 25.836 1.00 35.30 ? 657 TYR A N 1 ATOM 2402 C CA . TYR A 1 316 ? 14.828 14.239 25.195 1.00 35.33 ? 657 TYR A CA 1 ATOM 2403 C C . TYR A 1 316 ? 13.362 14.289 24.673 1.00 35.79 ? 657 TYR A C 1 ATOM 2404 O O . TYR A 1 316 ? 13.023 13.654 23.678 1.00 35.42 ? 657 TYR A O 1 ATOM 2405 C CB . TYR A 1 316 ? 15.106 13.049 26.131 1.00 34.82 ? 657 TYR A CB 1 ATOM 2406 C CG . TYR A 1 316 ? 13.991 12.724 27.076 1.00 34.02 ? 657 TYR A CG 1 ATOM 2407 C CD1 . TYR A 1 316 ? 13.024 11.792 26.727 1.00 34.64 ? 657 TYR A CD1 1 ATOM 2408 C CD2 . TYR A 1 316 ? 13.878 13.370 28.311 1.00 33.14 ? 657 TYR A CD2 1 ATOM 2409 C CE1 . TYR A 1 316 ? 11.971 11.504 27.587 1.00 35.59 ? 657 TYR A CE1 1 ATOM 2410 C CE2 . TYR A 1 316 ? 12.837 13.080 29.192 1.00 32.46 ? 657 TYR A CE2 1 ATOM 2411 C CZ . TYR A 1 316 ? 11.893 12.148 28.823 1.00 34.74 ? 657 TYR A CZ 1 ATOM 2412 O OH . TYR A 1 316 ? 10.845 11.843 29.652 1.00 35.04 ? 657 TYR A OH 1 ATOM 2413 N N . GLU A 1 317 ? 12.512 15.058 25.349 1.00 36.14 ? 658 GLU A N 1 ATOM 2414 C CA . GLU A 1 317 ? 11.136 15.235 24.930 1.00 36.37 ? 658 GLU A CA 1 ATOM 2415 C C . GLU A 1 317 ? 11.104 16.089 23.676 1.00 35.47 ? 658 GLU A C 1 ATOM 2416 O O . GLU A 1 317 ? 10.299 15.843 22.764 1.00 35.52 ? 658 GLU A O 1 ATOM 2417 C CB . GLU A 1 317 ? 10.319 15.887 26.037 1.00 37.02 ? 658 GLU A CB 1 ATOM 2418 C CG . GLU A 1 317 ? 10.418 15.158 27.365 1.00 41.90 ? 658 GLU A CG 1 ATOM 2419 C CD . GLU A 1 317 ? 9.438 15.693 28.395 1.00 48.07 ? 658 GLU A CD 1 ATOM 2420 O OE1 . GLU A 1 317 ? 9.712 16.779 28.965 1.00 51.79 ? 658 GLU A OE1 1 ATOM 2421 O OE2 . GLU A 1 317 ? 8.398 15.030 28.632 1.00 47.99 ? 658 GLU A OE2 1 ATOM 2422 N N . GLU A 1 318 ? 11.995 17.074 23.622 1.00 34.08 ? 659 GLU A N 1 ATOM 2423 C CA . GLU A 1 318 ? 12.083 17.944 22.457 1.00 33.60 ? 659 GLU A CA 1 ATOM 2424 C C . GLU A 1 318 ? 12.653 17.187 21.303 1.00 32.78 ? 659 GLU A C 1 ATOM 2425 O O . GLU A 1 318 ? 12.173 17.317 20.195 1.00 32.90 ? 659 GLU A O 1 ATOM 2426 C CB . GLU A 1 318 ? 12.969 19.160 22.720 1.00 33.76 ? 659 GLU A CB 1 ATOM 2427 C CG . GLU A 1 318 ? 12.299 20.245 23.492 1.00 34.04 ? 659 GLU A CG 1 ATOM 2428 C CD . GLU A 1 318 ? 13.281 21.259 23.960 1.00 37.39 ? 659 GLU A CD 1 ATOM 2429 O OE1 . GLU A 1 318 ? 14.392 20.864 24.398 1.00 37.85 ? 659 GLU A OE1 1 ATOM 2430 O OE2 . GLU A 1 318 ? 12.942 22.464 23.890 1.00 37.64 ? 659 GLU A OE2 1 ATOM 2431 N N . TYR A 1 319 ? 13.699 16.406 21.568 1.00 32.19 ? 660 TYR A N 1 ATOM 2432 C CA . TYR A 1 319 ? 14.284 15.558 20.528 1.00 30.80 ? 660 TYR A CA 1 ATOM 2433 C C . TYR A 1 319 ? 13.283 14.560 19.964 1.00 31.23 ? 660 TYR A C 1 ATOM 2434 O O . TYR A 1 319 ? 13.243 14.382 18.755 1.00 32.21 ? 660 TYR A O 1 ATOM 2435 C CB . TYR A 1 319 ? 15.575 14.834 20.961 1.00 29.05 ? 660 TYR A CB 1 ATOM 2436 C CG . TYR A 1 319 ? 16.126 14.032 19.823 1.00 25.76 ? 660 TYR A CG 1 ATOM 2437 C CD1 . TYR A 1 319 ? 16.849 14.654 18.816 1.00 24.24 ? 660 TYR A CD1 1 ATOM 2438 C CD2 . TYR A 1 319 ? 15.852 12.663 19.703 1.00 23.04 ? 660 TYR A CD2 1 ATOM 2439 C CE1 . TYR A 1 319 ? 17.330 13.935 17.726 1.00 23.04 ? 660 TYR A CE1 1 ATOM 2440 C CE2 . TYR A 1 319 ? 16.299 11.948 18.623 1.00 22.37 ? 660 TYR A CE2 1 ATOM 2441 C CZ . TYR A 1 319 ? 17.028 12.598 17.627 1.00 23.83 ? 660 TYR A CZ 1 ATOM 2442 O OH . TYR A 1 319 ? 17.502 11.918 16.551 1.00 24.71 ? 660 TYR A OH 1 ATOM 2443 N N . LEU A 1 320 ? 12.510 13.889 20.810 1.00 31.60 ? 661 LEU A N 1 ATOM 2444 C CA . LEU A 1 320 ? 11.582 12.875 20.313 1.00 32.50 ? 661 LEU A CA 1 ATOM 2445 C C . LEU A 1 320 ? 10.350 13.549 19.708 1.00 33.56 ? 661 LEU A C 1 ATOM 2446 O O . LEU A 1 320 ? 9.744 13.015 18.759 1.00 33.31 ? 661 LEU A O 1 ATOM 2447 C CB . LEU A 1 320 ? 11.187 11.848 21.398 1.00 32.15 ? 661 LEU A CB 1 ATOM 2448 C CG . LEU A 1 320 ? 12.258 10.907 21.999 1.00 32.14 ? 661 LEU A CG 1 ATOM 2449 C CD1 . LEU A 1 320 ? 11.652 10.048 23.100 1.00 32.44 ? 661 LEU A CD1 1 ATOM 2450 C CD2 . LEU A 1 320 ? 12.954 10.017 20.975 1.00 30.65 ? 661 LEU A CD2 1 ATOM 2451 N N . GLY A 1 321 ? 10.011 14.730 20.243 1.00 34.72 ? 662 GLY A N 1 ATOM 2452 C CA . GLY A 1 321 ? 8.870 15.520 19.780 1.00 35.88 ? 662 GLY A CA 1 ATOM 2453 C C . GLY A 1 321 ? 7.628 15.065 20.496 1.00 37.54 ? 662 GLY A C 1 ATOM 2454 O O . GLY A 1 321 ? 7.519 13.898 20.880 1.00 37.12 ? 662 GLY A O 1 ATOM 2455 N N . THR A 1 322 ? 6.675 15.989 20.655 1.00 39.99 ? 663 THR A N 1 ATOM 2456 C CA . THR A 1 322 ? 5.417 15.760 21.420 1.00 41.76 ? 663 THR A CA 1 ATOM 2457 C C . THR A 1 322 ? 4.498 14.679 20.863 1.00 42.70 ? 663 THR A C 1 ATOM 2458 O O . THR A 1 322 ? 3.948 13.885 21.634 1.00 43.28 ? 663 THR A O 1 ATOM 2459 C CB . THR A 1 322 ? 4.566 17.054 21.602 1.00 41.94 ? 663 THR A CB 1 ATOM 2460 O OG1 . THR A 1 322 ? 5.073 18.100 20.757 1.00 43.25 ? 663 THR A OG1 1 ATOM 2461 C CG2 . THR A 1 322 ? 4.598 17.521 23.047 1.00 42.13 ? 663 THR A CG2 1 ATOM 2462 N N . GLU A 1 323 ? 4.303 14.633 19.546 1.00 43.32 ? 664 GLU A N 1 ATOM 2463 C CA . GLU A 1 323 ? 3.417 13.595 19.017 1.00 44.69 ? 664 GLU A CA 1 ATOM 2464 C C . GLU A 1 323 ? 3.955 12.192 19.413 1.00 43.15 ? 664 GLU A C 1 ATOM 2465 O O . GLU A 1 323 ? 3.244 11.407 20.045 1.00 43.13 ? 664 GLU A O 1 ATOM 2466 C CB . GLU A 1 323 ? 3.158 13.769 17.506 1.00 44.55 ? 664 GLU A CB 1 ATOM 2467 C CG . GLU A 1 323 ? 4.395 13.551 16.637 1.00 48.01 ? 664 GLU A CG 1 ATOM 2468 C CD . GLU A 1 323 ? 4.157 13.715 15.131 1.00 48.56 ? 664 GLU A CD 1 ATOM 2469 O OE1 . GLU A 1 323 ? 4.990 14.424 14.474 1.00 53.77 ? 664 GLU A OE1 1 ATOM 2470 O OE2 . GLU A 1 323 ? 3.166 13.124 14.613 1.00 53.17 ? 664 GLU A OE2 1 ATOM 2471 N N . TYR A 1 324 ? 5.223 11.911 19.116 1.00 42.14 ? 665 TYR A N 1 ATOM 2472 C CA . TYR A 1 324 ? 5.811 10.633 19.532 1.00 41.35 ? 665 TYR A CA 1 ATOM 2473 C C . TYR A 1 324 ? 5.753 10.330 21.047 1.00 41.99 ? 665 TYR A C 1 ATOM 2474 O O . TYR A 1 324 ? 5.427 9.206 21.443 1.00 41.93 ? 665 TYR A O 1 ATOM 2475 C CB . TYR A 1 324 ? 7.230 10.459 19.000 1.00 39.54 ? 665 TYR A CB 1 ATOM 2476 C CG . TYR A 1 324 ? 7.767 9.066 19.186 1.00 36.58 ? 665 TYR A CG 1 ATOM 2477 C CD1 . TYR A 1 324 ? 6.990 7.943 18.893 1.00 35.16 ? 665 TYR A CD1 1 ATOM 2478 C CD2 . TYR A 1 324 ? 9.058 8.863 19.637 1.00 35.33 ? 665 TYR A CD2 1 ATOM 2479 C CE1 . TYR A 1 324 ? 7.492 6.643 19.068 1.00 33.84 ? 665 TYR A CE1 1 ATOM 2480 C CE2 . TYR A 1 324 ? 9.570 7.571 19.811 1.00 34.19 ? 665 TYR A CE2 1 ATOM 2481 C CZ . TYR A 1 324 ? 8.785 6.475 19.525 1.00 33.94 ? 665 TYR A CZ 1 ATOM 2482 O OH . TYR A 1 324 ? 9.303 5.222 19.708 1.00 35.31 ? 665 TYR A OH 1 ATOM 2483 N N . VAL A 1 325 ? 6.043 11.332 21.880 1.00 42.91 ? 666 VAL A N 1 ATOM 2484 C CA . VAL A 1 325 ? 6.124 11.117 23.330 1.00 43.39 ? 666 VAL A CA 1 ATOM 2485 C C . VAL A 1 325 ? 4.759 10.743 23.901 1.00 43.99 ? 666 VAL A C 1 ATOM 2486 O O . VAL A 1 325 ? 4.669 9.905 24.795 1.00 44.24 ? 666 VAL A O 1 ATOM 2487 C CB . VAL A 1 325 ? 6.748 12.327 24.083 1.00 43.24 ? 666 VAL A CB 1 ATOM 2488 C CG1 . VAL A 1 325 ? 6.803 12.071 25.585 1.00 43.63 ? 666 VAL A CG1 1 ATOM 2489 C CG2 . VAL A 1 325 ? 8.144 12.578 23.607 1.00 42.90 ? 666 VAL A CG2 1 ATOM 2490 N N . THR A 1 326 ? 3.697 11.343 23.371 1.00 45.07 ? 667 THR A N 1 ATOM 2491 C CA . THR A 1 326 ? 2.337 11.060 23.871 1.00 45.97 ? 667 THR A CA 1 ATOM 2492 C C . THR A 1 326 ? 1.918 9.642 23.503 1.00 45.56 ? 667 THR A C 1 ATOM 2493 O O . THR A 1 326 ? 1.295 8.944 24.302 1.00 45.52 ? 667 THR A O 1 ATOM 2494 C CB . THR A 1 326 ? 1.275 12.057 23.352 1.00 46.24 ? 667 THR A CB 1 ATOM 2495 O OG1 . THR A 1 326 ? 1.158 11.946 21.912 1.00 48.47 ? 667 THR A OG1 1 ATOM 2496 C CG2 . THR A 1 326 ? 1.638 13.475 23.763 1.00 45.43 ? 667 THR A CG2 1 ATOM 2497 N N . ALA A 1 327 ? 2.291 9.225 22.295 1.00 45.32 ? 668 ALA A N 1 ATOM 2498 C CA . ALA A 1 327 ? 1.997 7.882 21.823 1.00 44.59 ? 668 ALA A CA 1 ATOM 2499 C C . ALA A 1 327 ? 2.620 6.845 22.765 1.00 44.36 ? 668 ALA A C 1 ATOM 2500 O O . ALA A 1 327 ? 1.920 5.953 23.216 1.00 43.50 ? 668 ALA A O 1 ATOM 2501 C CB . ALA A 1 327 ? 2.451 7.715 20.372 1.00 43.97 ? 668 ALA A CB 1 ATOM 2502 N N . ILE A 1 328 ? 3.905 7.003 23.108 1.00 45.16 ? 669 ILE A N 1 ATOM 2503 C CA . ILE A 1 328 ? 4.590 6.082 24.044 1.00 46.00 ? 669 ILE A CA 1 ATOM 2504 C C . ILE A 1 328 ? 3.958 6.062 25.442 1.00 47.34 ? 669 ILE A C 1 ATOM 2505 O O . ILE A 1 328 ? 3.804 4.989 26.040 1.00 47.60 ? 669 ILE A O 1 ATOM 2506 C CB . ILE A 1 328 ? 6.088 6.381 24.226 1.00 45.74 ? 669 ILE A CB 1 ATOM 2507 C CG1 . ILE A 1 328 ? 6.820 6.405 22.888 1.00 45.06 ? 669 ILE A CG1 1 ATOM 2508 C CG2 . ILE A 1 328 ? 6.744 5.329 25.134 1.00 45.30 ? 669 ILE A CG2 1 ATOM 2509 C CD1 . ILE A 1 328 ? 7.978 7.386 22.880 1.00 42.21 ? 669 ILE A CD1 1 ATOM 2510 N N . ALA A 1 329 ? 3.613 7.238 25.973 1.00 48.30 ? 670 ALA A N 1 ATOM 2511 C CA . ALA A 1 329 ? 2.930 7.314 27.265 1.00 48.92 ? 670 ALA A CA 1 ATOM 2512 C C . ALA A 1 329 ? 1.596 6.539 27.251 1.00 49.38 ? 670 ALA A C 1 ATOM 2513 O O . ALA A 1 329 ? 1.393 5.631 28.070 1.00 49.52 ? 670 ALA A O 1 ATOM 2514 C CB . ALA A 1 329 ? 2.717 8.749 27.655 1.00 49.15 ? 670 ALA A CB 1 ATOM 2515 N N . ASN A 1 330 ? 0.707 6.878 26.314 1.00 49.92 ? 671 ASN A N 1 ATOM 2516 C CA . ASN A 1 330 ? -0.545 6.129 26.107 1.00 50.63 ? 671 ASN A CA 1 ATOM 2517 C C . ASN A 1 330 ? -0.358 4.604 26.001 1.00 50.44 ? 671 ASN A C 1 ATOM 2518 O O . ASN A 1 330 ? -1.126 3.852 26.596 1.00 50.60 ? 671 ASN A O 1 ATOM 2519 C CB . ASN A 1 330 ? -1.304 6.648 24.882 1.00 51.07 ? 671 ASN A CB 1 ATOM 2520 C CG . ASN A 1 330 ? -2.105 7.921 25.174 1.00 53.88 ? 671 ASN A CG 1 ATOM 2521 O OD1 . ASN A 1 330 ? -2.962 7.945 26.067 1.00 56.65 ? 671 ASN A OD1 1 ATOM 2522 N ND2 . ASN A 1 330 ? -1.854 8.974 24.394 1.00 55.82 ? 671 ASN A ND2 1 ATOM 2523 N N . LEU A 1 331 ? 0.661 4.154 25.263 1.00 49.99 ? 672 LEU A N 1 ATOM 2524 C CA . LEU A 1 331 ? 0.954 2.728 25.153 1.00 50.12 ? 672 LEU A CA 1 ATOM 2525 C C . LEU A 1 331 ? 1.434 2.134 26.482 1.00 50.98 ? 672 LEU A C 1 ATOM 2526 O O . LEU A 1 331 ? 1.076 1.001 26.819 1.00 50.27 ? 672 LEU A O 1 ATOM 2527 C CB . LEU A 1 331 ? 1.966 2.466 24.032 1.00 49.92 ? 672 LEU A CB 1 ATOM 2528 C CG . LEU A 1 331 ? 2.542 1.072 23.760 1.00 49.10 ? 672 LEU A CG 1 ATOM 2529 C CD1 . LEU A 1 331 ? 1.466 0.046 23.533 1.00 47.65 ? 672 LEU A CD1 1 ATOM 2530 C CD2 . LEU A 1 331 ? 3.458 1.130 22.565 1.00 49.53 ? 672 LEU A CD2 1 ATOM 2531 N N . LYS A 1 332 ? 2.223 2.904 27.238 1.00 52.32 ? 673 LYS A N 1 ATOM 2532 C CA . LYS A 1 332 ? 2.835 2.418 28.481 1.00 53.76 ? 673 LYS A CA 1 ATOM 2533 C C . LYS A 1 332 ? 1.831 2.262 29.616 1.00 54.95 ? 673 LYS A C 1 ATOM 2534 O O . LYS A 1 332 ? 2.069 1.502 30.562 1.00 55.29 ? 673 LYS A O 1 ATOM 2535 C CB . LYS A 1 332 ? 3.991 3.313 28.926 1.00 53.60 ? 673 LYS A CB 1 ATOM 2536 C CG . LYS A 1 332 ? 5.253 3.198 28.087 1.00 54.34 ? 673 LYS A CG 1 ATOM 2537 C CD . LYS A 1 332 ? 6.064 1.944 28.417 1.00 55.92 ? 673 LYS A CD 1 ATOM 2538 C CE . LYS A 1 332 ? 7.381 1.891 27.633 1.00 55.84 ? 673 LYS A CE 1 ATOM 2539 N NZ . LYS A 1 332 ? 8.156 3.152 27.829 1.00 55.54 ? 673 LYS A NZ 1 ATOM 2540 N N . LYS A 1 333 ? 0.704 2.960 29.523 1.00 56.29 ? 674 LYS A N 1 ATOM 2541 C CA . LYS A 1 333 ? -0.355 2.769 30.506 1.00 58.16 ? 674 LYS A CA 1 ATOM 2542 C C . LYS A 1 333 ? -1.046 1.410 30.342 1.00 58.27 ? 674 LYS A C 1 ATOM 2543 O O . LYS A 1 333 ? -1.747 0.962 31.240 1.00 59.05 ? 674 LYS A O 1 ATOM 2544 C CB . LYS A 1 333 ? -1.359 3.938 30.502 1.00 58.61 ? 674 LYS A CB 1 ATOM 2545 C CG . LYS A 1 333 ? -2.444 3.872 29.416 1.00 59.66 ? 674 LYS A CG 1 ATOM 2546 C CD . LYS A 1 333 ? -3.467 5.031 29.572 1.00 59.78 ? 674 LYS A CD 1 ATOM 2547 C CE . LYS A 1 333 ? -4.470 5.102 28.377 1.00 61.64 ? 674 LYS A CE 1 ATOM 2548 N NZ . LYS A 1 333 ? -5.270 3.840 28.120 1.00 61.05 ? 674 LYS A NZ 1 ATOM 2549 N N . CYS A 1 334 ? -0.824 0.753 29.207 1.00 58.61 ? 675 CYS A N 1 ATOM 2550 C CA . CYS A 1 334 ? -1.359 -0.586 28.948 1.00 58.48 ? 675 CYS A CA 1 ATOM 2551 C C . CYS A 1 334 ? -0.661 -1.687 29.709 1.00 59.45 ? 675 CYS A C 1 ATOM 2552 O O . CYS A 1 334 ? -1.258 -2.732 29.961 1.00 59.99 ? 675 CYS A O 1 ATOM 2553 C CB . CYS A 1 334 ? -1.298 -0.922 27.457 1.00 58.15 ? 675 CYS A CB 1 ATOM 2554 S SG . CYS A 1 334 ? -2.807 -0.500 26.587 1.00 55.83 ? 675 CYS A SG 1 ATOM 2555 N N . SER A 1 335 ? 0.611 -1.487 30.041 1.00 60.29 ? 676 SER A N 1 ATOM 2556 C CA . SER A 1 335 ? 1.368 -2.528 30.737 1.00 60.97 ? 676 SER A CA 1 ATOM 2557 C C . SER A 1 335 ? 2.527 -1.945 31.547 1.00 61.38 ? 676 SER A C 1 ATOM 2558 O O . SER A 1 335 ? 2.320 -1.109 32.436 1.00 61.90 ? 676 SER A O 1 ATOM 2559 C CB . SER A 1 335 ? 1.843 -3.623 29.756 1.00 61.05 ? 676 SER A CB 1 ATOM 2560 O OG . SER A 1 335 ? 3.101 -3.316 29.163 1.00 61.36 ? 676 SER A OG 1 ATOM 2561 N N . LEU A 1 340 ? 4.678 7.025 34.785 1.00 81.45 ? 681 LEU A N 1 ATOM 2562 C CA . LEU A 1 340 ? 4.286 8.386 34.417 1.00 81.43 ? 681 LEU A CA 1 ATOM 2563 C C . LEU A 1 340 ? 5.414 9.344 34.750 1.00 81.24 ? 681 LEU A C 1 ATOM 2564 O O . LEU A 1 340 ? 5.844 10.137 33.922 1.00 81.25 ? 681 LEU A O 1 ATOM 2565 C CB . LEU A 1 340 ? 3.012 8.805 35.174 1.00 81.68 ? 681 LEU A CB 1 ATOM 2566 C CG . LEU A 1 340 ? 1.709 9.142 34.439 1.00 81.64 ? 681 LEU A CG 1 ATOM 2567 C CD1 . LEU A 1 340 ? 0.754 7.997 34.540 1.00 81.34 ? 681 LEU A CD1 1 ATOM 2568 C CD2 . LEU A 1 340 ? 1.077 10.384 35.009 1.00 81.25 ? 681 LEU A CD2 1 ATOM 2569 N N . GLU A 1 341 ? 5.881 9.240 35.987 1.00 80.59 ? 682 GLU A N 1 ATOM 2570 C CA . GLU A 1 341 ? 6.892 10.116 36.524 1.00 79.93 ? 682 GLU A CA 1 ATOM 2571 C C . GLU A 1 341 ? 7.868 9.344 37.414 1.00 78.48 ? 682 GLU A C 1 ATOM 2572 O O . GLU A 1 341 ? 7.864 9.492 38.632 1.00 78.56 ? 682 GLU A O 1 ATOM 2573 C CB . GLU A 1 341 ? 6.214 11.224 37.311 1.00 80.11 ? 682 GLU A CB 1 ATOM 2574 C CG . GLU A 1 341 ? 4.797 10.883 37.752 1.00 81.13 ? 682 GLU A CG 1 ATOM 2575 C CD . GLU A 1 341 ? 3.795 12.009 37.504 1.00 81.56 ? 682 GLU A CD 1 ATOM 2576 O OE1 . GLU A 1 341 ? 4.140 12.983 36.805 1.00 83.16 ? 682 GLU A OE1 1 ATOM 2577 O OE2 . GLU A 1 341 ? 2.653 11.902 37.999 1.00 83.11 ? 682 GLU A OE2 1 ATOM 2578 N N . ALA A 1 342 ? 8.704 8.515 36.797 1.00 76.24 ? 683 ALA A N 1 ATOM 2579 C CA . ALA A 1 342 ? 9.741 7.800 37.529 1.00 73.61 ? 683 ALA A CA 1 ATOM 2580 C C . ALA A 1 342 ? 10.692 7.089 36.596 1.00 71.89 ? 683 ALA A C 1 ATOM 2581 O O . ALA A 1 342 ? 10.275 6.513 35.619 1.00 71.58 ? 683 ALA A O 1 ATOM 2582 C CB . ALA A 1 342 ? 9.138 6.825 38.490 1.00 73.57 ? 683 ALA A CB 1 ATOM 2583 N N . CYS A 1 343 ? 11.976 7.127 36.916 1.00 68.66 ? 684 CYS A N 1 ATOM 2584 C CA . CYS A 1 343 ? 12.948 6.291 36.203 1.00 67.97 ? 684 CYS A CA 1 ATOM 2585 C C . CYS A 1 343 ? 12.668 4.802 36.514 1.00 68.48 ? 684 CYS A C 1 ATOM 2586 O O . CYS A 1 343 ? 12.355 4.431 37.666 1.00 68.49 ? 684 CYS A O 1 ATOM 2587 C CB . CYS A 1 343 ? 14.401 6.705 36.506 1.00 66.12 ? 684 CYS A CB 1 ATOM 2588 S SG . CYS A 1 343 ? 15.695 5.532 35.963 1.00 62.53 ? 684 CYS A SG 1 ATOM 2589 N N . ALA A 1 344 ? 12.750 3.978 35.461 1.00 68.96 ? 685 ALA A N 1 ATOM 2590 C CA . ALA A 1 344 ? 12.374 2.551 35.490 1.00 69.09 ? 685 ALA A CA 1 ATOM 2591 C C . ALA A 1 344 ? 13.411 1.634 36.156 1.00 68.95 ? 685 ALA A C 1 ATOM 2592 O O . ALA A 1 344 ? 13.284 0.405 36.083 1.00 68.80 ? 685 ALA A O 1 ATOM 2593 C CB . ALA A 1 344 ? 12.041 2.047 34.052 1.00 69.32 ? 685 ALA A CB 1 ATOM 2594 N N . PHE A 1 345 ? 14.424 2.227 36.798 1.00 68.68 ? 686 PHE A N 1 ATOM 2595 C CA . PHE A 1 345 ? 15.450 1.458 37.510 1.00 68.48 ? 686 PHE A CA 1 ATOM 2596 C C . PHE A 1 345 ? 15.750 2.022 38.901 1.00 68.54 ? 686 PHE A C 1 ATOM 2597 O O . PHE A 1 345 ? 15.944 3.235 39.078 1.00 68.57 ? 686 PHE A O 1 ATOM 2598 C CB . PHE A 1 345 ? 16.736 1.321 36.672 1.00 68.21 ? 686 PHE A CB 1 ATOM 2599 C CG . PHE A 1 345 ? 16.492 0.905 35.231 1.00 67.99 ? 686 PHE A CG 1 ATOM 2600 C CD1 . PHE A 1 345 ? 16.163 -0.410 34.915 1.00 66.48 ? 686 PHE A CD1 1 ATOM 2601 C CD2 . PHE A 1 345 ? 16.573 1.841 34.197 1.00 67.01 ? 686 PHE A CD2 1 ATOM 2602 C CE1 . PHE A 1 345 ? 15.922 -0.778 33.605 1.00 65.82 ? 686 PHE A CE1 1 ATOM 2603 C CE2 . PHE A 1 345 ? 16.338 1.474 32.887 1.00 66.09 ? 686 PHE A CE2 1 ATOM 2604 C CZ . PHE A 1 345 ? 16.015 0.163 32.588 1.00 66.39 ? 686 PHE A CZ 1 HETATM 2605 C C1 . NAG B 2 . ? 44.660 10.123 20.674 1.00 88.48 ? 1 NAG A C1 1 HETATM 2606 C C2 . NAG B 2 . ? 44.296 10.278 19.208 1.00 88.72 ? 1 NAG A C2 1 HETATM 2607 C C3 . NAG B 2 . ? 45.124 11.454 18.684 1.00 89.38 ? 1 NAG A C3 1 HETATM 2608 C C4 . NAG B 2 . ? 44.836 12.734 19.492 1.00 89.48 ? 1 NAG A C4 1 HETATM 2609 C C5 . NAG B 2 . ? 44.574 12.486 21.000 1.00 89.43 ? 1 NAG A C5 1 HETATM 2610 C C6 . NAG B 2 . ? 43.663 13.573 21.589 1.00 89.40 ? 1 NAG A C6 1 HETATM 2611 C C7 . NAG B 2 . ? 43.471 8.397 17.859 1.00 87.28 ? 1 NAG A C7 1 HETATM 2612 C C8 . NAG B 2 . ? 43.839 7.267 16.942 1.00 86.15 ? 1 NAG A C8 1 HETATM 2613 N N2 . NAG B 2 . ? 44.480 9.032 18.477 1.00 87.99 ? 1 NAG A N2 1 HETATM 2614 O O3 . NAG B 2 . ? 44.826 11.688 17.325 1.00 89.96 ? 1 NAG A O3 1 HETATM 2615 O O4 . NAG B 2 . ? 45.888 13.676 19.317 1.00 88.40 ? 1 NAG A O4 1 HETATM 2616 O O5 . NAG B 2 . ? 44.017 11.208 21.310 1.00 88.59 ? 1 NAG A O5 1 HETATM 2617 O O6 . NAG B 2 . ? 42.397 13.566 20.963 1.00 89.39 ? 1 NAG A O6 1 HETATM 2618 O O7 . NAG B 2 . ? 42.283 8.690 18.001 1.00 87.01 ? 1 NAG A O7 1 HETATM 2619 C C1 . NAG C 2 . ? -3.318 6.682 20.707 1.00 58.65 ? 2 NAG A C1 1 HETATM 2620 C C2 . NAG C 2 . ? -2.450 7.568 19.834 1.00 58.12 ? 2 NAG A C2 1 HETATM 2621 C C3 . NAG C 2 . ? -2.105 8.851 20.609 1.00 59.75 ? 2 NAG A C3 1 HETATM 2622 C C4 . NAG C 2 . ? -3.381 9.468 21.187 1.00 62.45 ? 2 NAG A C4 1 HETATM 2623 C C5 . NAG C 2 . ? -4.128 8.391 21.992 1.00 62.37 ? 2 NAG A C5 1 HETATM 2624 C C6 . NAG C 2 . ? -5.358 8.917 22.719 1.00 62.87 ? 2 NAG A C6 1 HETATM 2625 C C7 . NAG C 2 . ? -0.923 6.673 18.199 1.00 55.62 ? 2 NAG A C7 1 HETATM 2626 C C8 . NAG C 2 . ? 0.361 5.950 17.894 1.00 55.04 ? 2 NAG A C8 1 HETATM 2627 N N2 . NAG C 2 . ? -1.302 6.763 19.465 1.00 55.98 ? 2 NAG A N2 1 HETATM 2628 O O3 . NAG C 2 . ? -1.395 9.799 19.839 1.00 57.23 ? 2 NAG A O3 1 HETATM 2629 O O4 . NAG C 2 . ? -3.020 10.509 22.062 1.00 67.19 ? 2 NAG A O4 1 HETATM 2630 O O5 . NAG C 2 . ? -4.489 7.348 21.112 1.00 59.64 ? 2 NAG A O5 1 HETATM 2631 O O6 . NAG C 2 . ? -6.028 9.797 21.838 1.00 63.40 ? 2 NAG A O6 1 HETATM 2632 O O7 . NAG C 2 . ? -1.588 7.170 17.293 1.00 55.08 ? 2 NAG A O7 1 HETATM 2633 C C1 . NAG D 2 . ? -3.542 11.808 21.697 1.00 70.10 ? 3 NAG A C1 1 HETATM 2634 C C2 . NAG D 2 . ? -3.450 12.679 22.959 1.00 70.90 ? 3 NAG A C2 1 HETATM 2635 C C3 . NAG D 2 . ? -3.598 14.177 22.708 1.00 70.57 ? 3 NAG A C3 1 HETATM 2636 C C4 . NAG D 2 . ? -3.024 14.680 21.372 1.00 71.21 ? 3 NAG A C4 1 HETATM 2637 C C5 . NAG D 2 . ? -3.225 13.692 20.207 1.00 71.08 ? 3 NAG A C5 1 HETATM 2638 C C6 . NAG D 2 . ? -2.366 14.067 18.996 1.00 70.93 ? 3 NAG A C6 1 HETATM 2639 C C7 . NAG D 2 . ? -4.210 11.758 25.148 1.00 74.28 ? 3 NAG A C7 1 HETATM 2640 C C8 . NAG D 2 . ? -5.393 11.211 25.895 1.00 74.55 ? 3 NAG A C8 1 HETATM 2641 N N2 . NAG D 2 . ? -4.461 12.265 23.929 1.00 72.88 ? 3 NAG A N2 1 HETATM 2642 O O3 . NAG D 2 . ? -2.935 14.823 23.773 1.00 70.51 ? 3 NAG A O3 1 HETATM 2643 O O4 . NAG D 2 . ? -3.567 15.956 21.046 1.00 70.58 ? 3 NAG A O4 1 HETATM 2644 O O5 . NAG D 2 . ? -2.861 12.373 20.586 1.00 71.10 ? 3 NAG A O5 1 HETATM 2645 O O6 . NAG D 2 . ? -0.998 13.817 19.278 1.00 71.43 ? 3 NAG A O6 1 HETATM 2646 O O7 . NAG D 2 . ? -3.099 11.720 25.684 1.00 74.41 ? 3 NAG A O7 1 HETATM 2647 C C1 . NAG E 2 . ? 13.453 5.060 1.548 1.00 49.74 ? 5 NAG A C1 1 HETATM 2648 C C2 . NAG E 2 . ? 13.320 6.549 1.314 1.00 50.92 ? 5 NAG A C2 1 HETATM 2649 C C3 . NAG E 2 . ? 14.196 6.896 0.128 1.00 52.75 ? 5 NAG A C3 1 HETATM 2650 C C4 . NAG E 2 . ? 15.606 6.316 0.254 1.00 54.48 ? 5 NAG A C4 1 HETATM 2651 C C5 . NAG E 2 . ? 15.590 4.855 0.735 1.00 52.29 ? 5 NAG A C5 1 HETATM 2652 C C6 . NAG E 2 . ? 16.970 4.300 1.055 1.00 50.32 ? 5 NAG A C6 1 HETATM 2653 C C7 . NAG E 2 . ? 11.074 7.333 1.899 1.00 49.38 ? 5 NAG A C7 1 HETATM 2654 C C8 . NAG E 2 . ? 9.657 7.480 1.429 1.00 48.59 ? 5 NAG A C8 1 HETATM 2655 N N2 . NAG E 2 . ? 11.943 6.855 1.021 1.00 49.87 ? 5 NAG A N2 1 HETATM 2656 O O3 . NAG E 2 . ? 14.266 8.294 0.089 1.00 54.24 ? 5 NAG A O3 1 HETATM 2657 O O4 . NAG E 2 . ? 16.223 6.433 -1.003 1.00 59.99 ? 5 NAG A O4 1 HETATM 2658 O O5 . NAG E 2 . ? 14.781 4.754 1.889 1.00 49.83 ? 5 NAG A O5 1 HETATM 2659 O O6 . NAG E 2 . ? 17.361 4.807 2.303 1.00 49.05 ? 5 NAG A O6 1 HETATM 2660 O O7 . NAG E 2 . ? 11.388 7.651 3.036 1.00 50.56 ? 5 NAG A O7 1 HETATM 2661 C C1 . NAG F 2 . ? 17.587 6.659 -1.417 1.00 66.45 ? 6 NAG A C1 1 HETATM 2662 C C2 . NAG F 2 . ? 18.454 5.973 -2.492 1.00 69.24 ? 6 NAG A C2 1 HETATM 2663 C C3 . NAG F 2 . ? 19.735 6.756 -2.809 1.00 71.31 ? 6 NAG A C3 1 HETATM 2664 C C4 . NAG F 2 . ? 19.345 8.211 -3.045 1.00 72.16 ? 6 NAG A C4 1 HETATM 2665 C C5 . NAG F 2 . ? 18.891 8.755 -1.693 1.00 71.55 ? 6 NAG A C5 1 HETATM 2666 C C6 . NAG F 2 . ? 18.599 10.254 -1.744 1.00 72.68 ? 6 NAG A C6 1 HETATM 2667 C C7 . NAG F 2 . ? 18.218 3.522 -2.564 1.00 68.84 ? 6 NAG A C7 1 HETATM 2668 C C8 . NAG F 2 . ? 18.779 2.213 -2.092 1.00 68.42 ? 6 NAG A C8 1 HETATM 2669 N N2 . NAG F 2 . ? 18.779 4.619 -2.055 1.00 69.38 ? 6 NAG A N2 1 HETATM 2670 O O3 . NAG F 2 . ? 20.435 6.219 -3.918 1.00 71.46 ? 6 NAG A O3 1 HETATM 2671 O O4 . NAG F 2 . ? 20.433 8.951 -3.567 1.00 74.53 ? 6 NAG A O4 1 HETATM 2672 O O5 . NAG F 2 . ? 17.729 8.071 -1.236 1.00 69.29 ? 6 NAG A O5 1 HETATM 2673 O O6 . NAG F 2 . ? 17.251 10.452 -2.119 1.00 74.80 ? 6 NAG A O6 1 HETATM 2674 O O7 . NAG F 2 . ? 17.285 3.550 -3.369 1.00 68.98 ? 6 NAG A O7 1 HETATM 2675 C C . IAC G 3 . ? 10.856 16.694 16.543 0.50 55.47 ? 1001 IAC A C 1 HETATM 2676 C C1 . IAC G 3 . ? 11.180 15.406 15.872 0.50 55.34 ? 1001 IAC A C1 1 HETATM 2677 C C2 . IAC G 3 . ? 10.176 14.737 15.167 0.50 55.42 ? 1001 IAC A C2 1 HETATM 2678 C C3 . IAC G 3 . ? 8.897 15.302 15.107 0.50 56.38 ? 1001 IAC A C3 1 HETATM 2679 C C4 . IAC G 3 . ? 8.601 16.518 15.738 0.50 55.99 ? 1001 IAC A C4 1 HETATM 2680 C C5 . IAC G 3 . ? 9.572 17.211 16.453 0.50 55.50 ? 1001 IAC A C5 1 HETATM 2681 C C7 . IAC G 3 . ? 12.633 15.171 16.158 0.50 55.29 ? 1001 IAC A C7 1 HETATM 2682 C C8 . IAC G 3 . ? 12.998 16.348 16.979 0.50 55.11 ? 1001 IAC A C8 1 HETATM 2683 C C17 . IAC G 3 . ? 13.475 13.946 15.894 0.50 54.99 ? 1001 IAC A C17 1 HETATM 2684 C C18 . IAC G 3 . ? 14.446 13.956 14.743 0.50 54.84 ? 1001 IAC A C18 1 HETATM 2685 N N . IAC G 3 . ? 11.951 17.166 17.152 0.50 55.11 ? 1001 IAC A N 1 HETATM 2686 O O2 . IAC G 3 . ? 14.541 12.926 14.035 0.50 54.13 ? 1001 IAC A O2 1 HETATM 2687 O O3 . IAC G 3 . ? 15.156 14.971 14.573 0.50 56.23 ? 1001 IAC A O3 1 HETATM 2688 ZN ZN . ZN H 4 . ? 14.743 23.343 24.230 1.00 37.73 ? 302 ZN A ZN 1 HETATM 2689 ZN ZN . ZN I 4 . ? 3.070 10.905 7.423 1.00 43.73 ? 303 ZN A ZN 1 HETATM 2690 FE FE . FE J 5 . ? 14.424 2.542 15.114 1.00 27.16 ? 690 FE A FE 1 HETATM 2691 C C . CO3 K 6 . ? 13.092 0.454 15.461 1.00 26.72 ? 691 CO3 A C 1 HETATM 2692 O O1 . CO3 K 6 . ? 14.373 0.483 15.680 1.00 27.61 ? 691 CO3 A O1 1 HETATM 2693 O O2 . CO3 K 6 . ? 12.505 1.571 15.181 1.00 26.95 ? 691 CO3 A O2 1 HETATM 2694 O O3 . CO3 K 6 . ? 12.420 -0.657 15.521 1.00 25.59 ? 691 CO3 A O3 1 HETATM 2695 S S . SO4 L 7 . ? -1.056 -5.999 -4.953 1.00 83.41 ? 301 SO4 A S 1 HETATM 2696 O O1 . SO4 L 7 . ? -0.947 -4.966 -3.934 1.00 84.52 ? 301 SO4 A O1 1 HETATM 2697 O O2 . SO4 L 7 . ? -2.459 -6.107 -5.331 1.00 83.43 ? 301 SO4 A O2 1 HETATM 2698 O O3 . SO4 L 7 . ? -0.241 -5.609 -6.106 1.00 83.73 ? 301 SO4 A O3 1 HETATM 2699 O O4 . SO4 L 7 . ? -0.592 -7.280 -4.416 1.00 83.83 ? 301 SO4 A O4 1 HETATM 2700 O O . HOH M 8 . ? -5.886 -17.090 7.928 1.00 78.17 ? 701 HOH A O 1 HETATM 2701 O O . HOH M 8 . ? 11.444 -10.256 14.473 1.00 14.69 ? 702 HOH A O 1 HETATM 2702 O O . HOH M 8 . ? 3.076 1.225 5.724 1.00 22.30 ? 703 HOH A O 1 HETATM 2703 O O . HOH M 8 . ? 25.819 -8.065 19.015 1.00 28.80 ? 704 HOH A O 1 HETATM 2704 O O . HOH M 8 . ? 23.869 -7.357 30.521 1.00 37.09 ? 705 HOH A O 1 HETATM 2705 O O . HOH M 8 . ? 27.615 9.473 30.019 1.00 35.22 ? 706 HOH A O 1 HETATM 2706 O O . HOH M 8 . ? 19.561 -0.100 13.905 1.00 23.93 ? 707 HOH A O 1 HETATM 2707 O O . HOH M 8 . ? 22.816 -6.501 19.313 1.00 28.26 ? 708 HOH A O 1 HETATM 2708 O O . HOH M 8 . ? 22.956 -4.217 17.560 1.00 33.35 ? 709 HOH A O 1 HETATM 2709 O O . HOH M 8 . ? 25.809 2.208 19.874 1.00 25.38 ? 710 HOH A O 1 HETATM 2710 O O . HOH M 8 . ? 25.667 -0.281 21.122 1.00 30.31 ? 711 HOH A O 1 HETATM 2711 O O . HOH M 8 . ? 17.549 -1.283 7.882 1.00 32.58 ? 712 HOH A O 1 HETATM 2712 O O . HOH M 8 . ? 6.369 0.264 11.690 1.00 24.07 ? 713 HOH A O 1 HETATM 2713 O O . HOH M 8 . ? 27.395 0.209 11.147 1.00 23.74 ? 714 HOH A O 1 HETATM 2714 O O . HOH M 8 . ? 13.347 6.337 16.582 1.00 21.84 ? 715 HOH A O 1 HETATM 2715 O O . HOH M 8 . ? 14.150 -4.610 23.644 1.00 31.67 ? 716 HOH A O 1 HETATM 2716 O O . HOH M 8 . ? 3.487 -11.794 3.605 1.00 39.98 ? 717 HOH A O 1 HETATM 2717 O O . HOH M 8 . ? 12.917 6.245 5.394 1.00 30.17 ? 718 HOH A O 1 HETATM 2718 O O . HOH M 8 . ? 5.660 -12.397 -2.826 1.00 43.15 ? 719 HOH A O 1 HETATM 2719 O O . HOH M 8 . ? 5.448 -14.066 4.478 1.00 28.28 ? 720 HOH A O 1 HETATM 2720 O O . HOH M 8 . ? 19.332 0.803 9.023 1.00 26.58 ? 721 HOH A O 1 HETATM 2721 O O . HOH M 8 . ? 19.498 -4.637 11.682 1.00 37.33 ? 722 HOH A O 1 HETATM 2722 O O . HOH M 8 . ? 7.275 13.193 17.490 1.00 47.91 ? 723 HOH A O 1 HETATM 2723 O O . HOH M 8 . ? 28.557 7.766 32.512 1.00 38.57 ? 724 HOH A O 1 HETATM 2724 O O . HOH M 8 . ? 31.419 -5.004 30.315 1.00 52.38 ? 725 HOH A O 1 HETATM 2725 O O . HOH M 8 . ? -0.593 -15.061 -4.439 1.00 34.25 ? 726 HOH A O 1 HETATM 2726 O O . HOH M 8 . ? 7.216 -19.422 22.547 1.00 45.36 ? 727 HOH A O 1 HETATM 2727 O O . HOH M 8 . ? 21.528 -4.152 15.219 1.00 26.32 ? 728 HOH A O 1 HETATM 2728 O O . HOH M 8 . ? 7.515 7.597 -1.493 1.00 28.18 ? 729 HOH A O 1 HETATM 2729 O O . HOH M 8 . ? 9.913 2.371 24.863 1.00 51.56 ? 730 HOH A O 1 HETATM 2730 O O . HOH M 8 . ? 4.369 -11.669 26.649 1.00 67.83 ? 731 HOH A O 1 HETATM 2731 O O . HOH M 8 . ? 16.976 15.576 28.354 1.00 40.09 ? 732 HOH A O 1 HETATM 2732 O O . HOH M 8 . ? -4.694 -1.598 -2.302 1.00 51.33 ? 733 HOH A O 1 HETATM 2733 O O . HOH M 8 . ? -0.548 4.734 6.063 1.00 24.04 ? 734 HOH A O 1 HETATM 2734 O O . HOH M 8 . ? 1.404 -12.603 19.281 1.00 31.36 ? 735 HOH A O 1 HETATM 2735 O O . HOH M 8 . ? 18.673 0.746 20.060 1.00 24.23 ? 736 HOH A O 1 HETATM 2736 O O . HOH M 8 . ? 37.780 -1.940 25.007 1.00 52.79 ? 737 HOH A O 1 HETATM 2737 O O . HOH M 8 . ? 17.021 4.877 7.770 1.00 41.29 ? 738 HOH A O 1 HETATM 2738 O O . HOH M 8 . ? 12.956 21.674 6.061 1.00 50.85 ? 739 HOH A O 1 HETATM 2739 O O . HOH M 8 . ? 9.590 4.543 -1.093 1.00 43.06 ? 740 HOH A O 1 HETATM 2740 O O . HOH M 8 . ? 18.410 6.479 12.666 1.00 22.09 ? 741 HOH A O 1 HETATM 2741 O O . HOH M 8 . ? 18.625 -3.039 14.368 1.00 32.54 ? 742 HOH A O 1 HETATM 2742 O O . HOH M 8 . ? 21.324 0.783 7.517 1.00 40.91 ? 743 HOH A O 1 HETATM 2743 O O . HOH M 8 . ? 20.652 6.406 9.723 1.00 36.17 ? 744 HOH A O 1 HETATM 2744 O O . HOH M 8 . ? 31.902 4.692 8.283 1.00 45.42 ? 745 HOH A O 1 HETATM 2745 O O . HOH M 8 . ? 4.818 -1.735 25.084 1.00 52.94 ? 746 HOH A O 1 HETATM 2746 O O . HOH M 8 . ? -0.124 -10.167 19.631 1.00 35.23 ? 747 HOH A O 1 HETATM 2747 O O . HOH M 8 . ? 23.195 -0.577 17.850 1.00 23.62 ? 748 HOH A O 1 HETATM 2748 O O . HOH M 8 . ? 24.235 -3.737 33.026 1.00 48.11 ? 749 HOH A O 1 HETATM 2749 O O . HOH M 8 . ? 9.871 -20.822 7.030 1.00 42.16 ? 750 HOH A O 1 HETATM 2750 O O . HOH M 8 . ? 1.342 7.634 5.328 1.00 53.05 ? 751 HOH A O 1 HETATM 2751 O O . HOH M 8 . ? 11.580 19.673 26.653 1.00 49.79 ? 752 HOH A O 1 HETATM 2752 O O . HOH M 8 . ? -0.562 4.951 21.713 1.00 32.93 ? 753 HOH A O 1 HETATM 2753 O O . HOH M 8 . ? 15.166 -15.742 1.389 1.00 47.35 ? 754 HOH A O 1 HETATM 2754 O O . HOH M 8 . ? 17.237 -14.461 -1.565 1.00 47.70 ? 755 HOH A O 1 HETATM 2755 O O . HOH M 8 . ? 22.450 -0.069 15.177 1.00 32.16 ? 756 HOH A O 1 HETATM 2756 O O . HOH M 8 . ? 20.328 -1.145 21.235 1.00 25.98 ? 757 HOH A O 1 HETATM 2757 O O . HOH M 8 . ? 45.773 -1.533 14.945 1.00 61.16 ? 758 HOH A O 1 HETATM 2758 O O . HOH M 8 . ? 35.538 15.573 30.264 1.00 63.71 ? 759 HOH A O 1 HETATM 2759 O O . HOH M 8 . ? 11.918 11.049 2.474 1.00 71.42 ? 760 HOH A O 1 HETATM 2760 O O . HOH M 8 . ? 44.779 -0.121 21.239 1.00 66.57 ? 761 HOH A O 1 HETATM 2761 O O . HOH M 8 . ? 32.224 14.070 33.614 1.00 47.37 ? 762 HOH A O 1 HETATM 2762 O O . HOH M 8 . ? 16.861 -6.671 -9.269 1.00 71.28 ? 763 HOH A O 1 HETATM 2763 O O . HOH M 8 . ? 11.538 -5.992 -8.044 1.00 57.19 ? 764 HOH A O 1 HETATM 2764 O O . HOH M 8 . ? -3.552 -1.651 4.197 1.00 33.72 ? 765 HOH A O 1 HETATM 2765 O O . HOH M 8 . ? 15.282 -21.309 11.885 1.00 53.79 ? 766 HOH A O 1 HETATM 2766 O O . HOH M 8 . ? -7.718 -7.025 11.983 1.00 44.97 ? 767 HOH A O 1 HETATM 2767 O O . HOH M 8 . ? -4.068 5.393 -3.163 1.00 66.90 ? 768 HOH A O 1 HETATM 2768 O O . HOH M 8 . ? 33.709 -5.197 5.196 1.00 60.21 ? 769 HOH A O 1 HETATM 2769 O O . HOH M 8 . ? 31.317 -7.948 14.591 1.00 43.31 ? 770 HOH A O 1 HETATM 2770 O O . HOH M 8 . ? 32.477 9.971 -1.370 1.00 53.79 ? 771 HOH A O 1 HETATM 2771 O O . HOH M 8 . ? 30.971 10.470 8.633 1.00 42.33 ? 772 HOH A O 1 HETATM 2772 O O . HOH M 8 . ? 24.757 -19.909 9.613 1.00 74.38 ? 773 HOH A O 1 HETATM 2773 O O . HOH M 8 . ? 28.559 13.092 4.565 1.00 50.87 ? 774 HOH A O 1 HETATM 2774 O O . HOH M 8 . ? -6.651 -15.702 28.988 1.00 83.64 ? 776 HOH A O 1 HETATM 2775 O O . HOH M 8 . ? 21.116 2.348 15.953 1.00 42.47 ? 778 HOH A O 1 HETATM 2776 O O . HOH M 8 . ? -8.431 -7.565 20.753 1.00 80.02 ? 779 HOH A O 1 HETATM 2777 O O . HOH M 8 . ? 37.849 -8.039 17.374 1.00 67.38 ? 780 HOH A O 1 HETATM 2778 O O . HOH M 8 . ? 30.175 -4.510 32.726 1.00 70.20 ? 781 HOH A O 1 HETATM 2779 O O . HOH M 8 . ? 17.566 -9.810 -5.390 1.00 57.48 ? 782 HOH A O 1 HETATM 2780 O O . HOH M 8 . ? 16.418 -20.846 21.944 1.00 57.91 ? 784 HOH A O 1 HETATM 2781 O O . HOH M 8 . ? 11.247 -15.105 -1.353 1.00 48.70 ? 785 HOH A O 1 HETATM 2782 O O . HOH M 8 . ? -6.036 -11.585 4.646 1.00 66.18 ? 787 HOH A O 1 HETATM 2783 O O . HOH M 8 . ? 4.371 -20.604 22.176 1.00 39.94 ? 788 HOH A O 1 HETATM 2784 O O . HOH M 8 . ? 33.256 -1.487 10.318 1.00 60.59 ? 789 HOH A O 1 HETATM 2785 O O . HOH M 8 . ? 27.447 -17.751 4.031 1.00 66.79 ? 790 HOH A O 1 HETATM 2786 O O . HOH M 8 . ? -5.144 -4.146 -2.435 1.00 53.97 ? 791 HOH A O 1 HETATM 2787 O O . HOH M 8 . ? 1.066 8.273 8.447 1.00 48.11 ? 792 HOH A O 1 HETATM 2788 O O . HOH M 8 . ? 12.739 -2.559 27.032 1.00 40.08 ? 793 HOH A O 1 HETATM 2789 O O . HOH M 8 . ? 45.028 8.705 11.925 1.00 91.75 ? 794 HOH A O 1 HETATM 2790 O O . HOH M 8 . ? 24.383 -16.941 21.854 1.00 60.30 ? 795 HOH A O 1 HETATM 2791 O O . HOH M 8 . ? 14.643 6.532 -3.697 1.00 55.49 ? 796 HOH A O 1 HETATM 2792 O O . HOH M 8 . ? 1.409 -15.955 25.268 1.00 55.91 ? 797 HOH A O 1 HETATM 2793 O O . HOH M 8 . ? -6.194 16.995 20.156 1.00 64.67 ? 798 HOH A O 1 HETATM 2794 O O . HOH M 8 . ? 34.470 6.931 31.745 1.00 57.17 ? 799 HOH A O 1 HETATM 2795 O O . HOH M 8 . ? 13.915 -14.688 -3.455 1.00 56.87 ? 800 HOH A O 1 HETATM 2796 O O . HOH M 8 . ? 38.757 -8.283 14.153 1.00 54.71 ? 801 HOH A O 1 HETATM 2797 O O . HOH M 8 . ? -6.857 -11.017 27.891 1.00 54.92 ? 802 HOH A O 1 HETATM 2798 O O . HOH M 8 . ? 9.929 19.332 19.351 1.00 27.58 ? 803 HOH A O 1 HETATM 2799 O O . HOH M 8 . ? 3.994 20.189 18.610 1.00 77.45 ? 804 HOH A O 1 HETATM 2800 O O . HOH M 8 . ? 36.608 -13.880 17.230 1.00 70.29 ? 805 HOH A O 1 HETATM 2801 O O . HOH M 8 . ? 16.725 13.455 30.139 1.00 60.90 ? 807 HOH A O 1 HETATM 2802 O O . HOH M 8 . ? 10.874 13.093 32.532 1.00 63.35 ? 808 HOH A O 1 HETATM 2803 O O . HOH M 8 . ? 35.454 -10.013 19.874 1.00 77.55 ? 809 HOH A O 1 HETATM 2804 O O . HOH M 8 . ? 12.646 -16.737 1.016 1.00 43.94 ? 810 HOH A O 1 HETATM 2805 O O . HOH M 8 . ? 19.283 18.049 27.617 1.00 51.71 ? 811 HOH A O 1 HETATM 2806 O O . HOH M 8 . ? 23.569 -22.338 11.599 1.00 70.81 ? 812 HOH A O 1 HETATM 2807 O O . HOH M 8 . ? -10.061 -6.674 17.975 1.00 64.28 ? 813 HOH A O 1 HETATM 2808 O O . HOH M 8 . ? 12.940 -23.335 10.682 1.00 62.42 ? 814 HOH A O 1 HETATM 2809 O O . HOH M 8 . ? 23.400 -17.609 7.570 1.00 75.90 ? 816 HOH A O 1 HETATM 2810 O O . HOH M 8 . ? 18.969 20.397 -2.149 1.00 64.62 ? 817 HOH A O 1 HETATM 2811 O O . HOH M 8 . ? 35.742 16.223 33.250 1.00 43.46 ? 818 HOH A O 1 HETATM 2812 O O . HOH M 8 . ? 24.044 -14.436 7.114 1.00 58.86 ? 820 HOH A O 1 HETATM 2813 O O . HOH M 8 . ? 5.383 7.772 -5.305 1.00 40.50 ? 821 HOH A O 1 HETATM 2814 O O . HOH M 8 . ? -12.759 -2.382 24.254 1.00 57.97 ? 823 HOH A O 1 HETATM 2815 O O . HOH M 8 . ? 25.481 -7.840 -6.003 1.00 40.88 ? 824 HOH A O 1 HETATM 2816 O O . HOH M 8 . ? 21.709 -20.162 12.384 1.00 64.41 ? 825 HOH A O 1 HETATM 2817 O O . HOH M 8 . ? 2.286 -19.515 24.509 1.00 59.06 ? 826 HOH A O 1 HETATM 2818 O O . HOH M 8 . ? -9.194 1.785 10.966 1.00 50.94 ? 828 HOH A O 1 HETATM 2819 O O . HOH M 8 . ? -9.157 1.279 7.626 1.00 76.39 ? 829 HOH A O 1 HETATM 2820 O O . HOH M 8 . ? 0.016 11.868 14.742 1.00 62.12 ? 830 HOH A O 1 HETATM 2821 O O . HOH M 8 . ? 48.102 9.189 12.988 1.00 70.95 ? 831 HOH A O 1 HETATM 2822 O O . HOH M 8 . ? -7.762 7.242 21.242 1.00 57.65 ? 832 HOH A O 1 HETATM 2823 O O . HOH M 8 . ? -2.089 18.256 22.835 1.00 68.69 ? 833 HOH A O 1 HETATM 2824 O O . HOH M 8 . ? 36.858 14.701 35.299 1.00 58.16 ? 834 HOH A O 1 HETATM 2825 O O . HOH M 8 . ? 46.156 15.960 21.734 1.00 41.03 ? 835 HOH A O 1 HETATM 2826 O O . HOH M 8 . ? -5.130 -15.874 26.166 1.00 65.71 ? 836 HOH A O 1 HETATM 2827 O O . HOH M 8 . ? 13.256 -0.973 31.050 1.00 63.19 ? 837 HOH A O 1 HETATM 2828 O O . HOH M 8 . ? -1.761 20.062 20.174 1.00 62.03 ? 838 HOH A O 1 HETATM 2829 O O . HOH M 8 . ? 35.595 9.650 -2.097 1.00 61.40 ? 840 HOH A O 1 HETATM 2830 O O . HOH M 8 . ? 23.275 19.762 -4.232 1.00 64.50 ? 841 HOH A O 1 HETATM 2831 O O . HOH M 8 . ? 47.391 -0.975 17.068 1.00 66.89 ? 842 HOH A O 1 HETATM 2832 O O . HOH M 8 . ? 20.928 -16.453 5.741 1.00 71.20 ? 843 HOH A O 1 HETATM 2833 O O . HOH M 8 . ? 25.882 -5.571 32.207 1.00 45.73 ? 844 HOH A O 1 HETATM 2834 O O . HOH M 8 . ? 29.373 -14.299 18.873 1.00 60.00 ? 845 HOH A O 1 HETATM 2835 O O . HOH M 8 . ? 3.010 -13.613 28.913 1.00 84.81 ? 846 HOH A O 1 HETATM 2836 O O . HOH M 8 . ? 28.277 -14.492 15.883 1.00 84.05 ? 847 HOH A O 1 HETATM 2837 O O . HOH M 8 . ? -3.080 -6.755 29.094 1.00 57.33 ? 849 HOH A O 1 HETATM 2838 O O . HOH M 8 . ? 21.793 -3.398 34.424 1.00 61.82 ? 850 HOH A O 1 HETATM 2839 O O . HOH M 8 . ? -0.872 22.579 18.401 1.00 60.06 ? 851 HOH A O 1 HETATM 2840 O O . HOH M 8 . ? 25.865 -13.760 16.610 1.00 57.52 ? 852 HOH A O 1 HETATM 2841 O O . HOH M 8 . ? 23.335 14.820 -2.144 1.00 60.93 ? 854 HOH A O 1 HETATM 2842 O O . HOH M 8 . ? 16.361 -3.442 26.624 1.00 45.22 ? 855 HOH A O 1 HETATM 2843 O O . HOH M 8 . ? -11.892 -4.955 8.724 1.00 57.46 ? 856 HOH A O 1 HETATM 2844 O O . HOH M 8 . ? 26.648 0.451 4.641 1.00 66.34 ? 857 HOH A O 1 HETATM 2845 O O . HOH M 8 . ? 24.006 0.184 -5.623 1.00 91.05 ? 858 HOH A O 1 HETATM 2846 O O . HOH M 8 . ? 5.230 8.484 -2.560 1.00 51.68 ? 859 HOH A O 1 HETATM 2847 O O . HOH M 8 . ? 19.895 15.426 -5.599 1.00 66.34 ? 860 HOH A O 1 HETATM 2848 O O . HOH M 8 . ? -8.405 -12.423 6.542 1.00 64.39 ? 861 HOH A O 1 HETATM 2849 O O . HOH M 8 . ? -5.504 -15.303 10.377 1.00 52.84 ? 862 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 # _pdbx_struct_mod_residue.id 1 _pdbx_struct_mod_residue.label_asym_id A _pdbx_struct_mod_residue.label_comp_id ASN _pdbx_struct_mod_residue.label_seq_id 204 _pdbx_struct_mod_residue.auth_asym_id A _pdbx_struct_mod_residue.auth_comp_id ASN _pdbx_struct_mod_residue.auth_seq_id 545 _pdbx_struct_mod_residue.PDB_ins_code ? _pdbx_struct_mod_residue.parent_comp_id ASN _pdbx_struct_mod_residue.details '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 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 175.3 ? 2 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 94.7 ? 3 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? J FE . ? A FE 690 ? 1_555 OH ? A TYR 92 ? A TYR 433 ? 1_555 86.3 ? 4 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 91.8 ? 5 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 88.8 ? 6 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? J FE . ? A FE 690 ? 1_555 O1 ? K CO3 . ? A CO3 691 ? 1_555 159.0 ? 7 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 97.9 ? 8 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 86.5 ? 9 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 97.0 ? 10 O1 ? K CO3 . ? A CO3 691 ? 1_555 FE ? J FE . ? A FE 690 ? 1_555 O2 ? 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 93.3 ? 12 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 82.1 ? 13 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 94.4 ? 14 O1 ? K CO3 . ? A CO3 691 ? 1_555 FE ? J FE . ? A FE 690 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 105.1 ? 15 O2 ? K CO3 . ? A CO3 691 ? 1_555 FE ? J FE . ? A FE 690 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 163.4 ? 16 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 57.3 ? # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2010-09-08 2 'Structure model' 1 1 2011-07-13 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # _pdbx_audit_revision_group.ordinal 1 _pdbx_audit_revision_group.revision_ordinal 2 _pdbx_audit_revision_group.data_content_type 'Structure model' _pdbx_audit_revision_group.group 'Version format compliance' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal DENZO 'data reduction' . ? 1 MOLREP phasing . ? 2 REFMAC refinement 5.2.0019 ? 3 AUTOMAR 'data reduction' . ? 4 SCALEPACK 'data scaling' . ? 5 # _pdbx_entry_details.entry_id 3O97 _pdbx_entry_details.nonpolymer_details ? _pdbx_entry_details.compound_details ? _pdbx_entry_details.source_details ? _pdbx_entry_details.sequence_details ;THERE IS A CONFLICT BETWEEN SEQRES(LYS A 565, GLU A 608) AND SEQUENCE DATABASE (ASN, LYS). THE AUTHORS BELIEVE THAT THE SEQRES IS CORRECT AND IS THE TRUE IDENTITY OF THESE RESIDUES AND IS NATURAL MUTANT. ; # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 THR A 343 ? ? -92.28 31.56 2 1 ALA A 442 ? ? -49.04 -16.95 3 1 ALA A 460 ? ? 179.04 151.05 4 1 ASP A 462 ? ? 85.50 3.84 5 1 TRP A 467 ? ? -137.39 -62.81 6 1 ALA A 482 ? ? -84.61 44.42 7 1 VAL A 543 ? ? -126.07 -162.16 8 1 SER A 634 ? ? 179.16 132.77 9 1 GLU A 635 ? ? -58.58 86.02 10 1 LEU A 640 ? ? 61.76 -45.80 11 1 ARG A 654 ? ? 25.41 63.68 12 1 ALA A 683 ? ? -171.30 139.57 # loop_ _pdbx_unobs_or_zero_occ_atoms.id _pdbx_unobs_or_zero_occ_atoms.PDB_model_num _pdbx_unobs_or_zero_occ_atoms.polymer_flag _pdbx_unobs_or_zero_occ_atoms.occupancy_flag _pdbx_unobs_or_zero_occ_atoms.auth_asym_id _pdbx_unobs_or_zero_occ_atoms.auth_comp_id _pdbx_unobs_or_zero_occ_atoms.auth_seq_id _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code _pdbx_unobs_or_zero_occ_atoms.auth_atom_id _pdbx_unobs_or_zero_occ_atoms.label_alt_id _pdbx_unobs_or_zero_occ_atoms.label_asym_id _pdbx_unobs_or_zero_occ_atoms.label_comp_id _pdbx_unobs_or_zero_occ_atoms.label_seq_id _pdbx_unobs_or_zero_occ_atoms.label_atom_id 1 1 N 1 A NAG 1 ? O1 ? B NAG 1 O1 2 1 N 1 A NAG 2 ? O1 ? C NAG 1 O1 # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 A THR 677 ? A THR 336 2 1 Y 1 A SER 678 ? A SER 337 3 1 Y 1 A PRO 679 ? A PRO 338 4 1 Y 1 A LEU 680 ? A LEU 339 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 '1H-INDOL-3-YLACETIC ACID' IAC 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 NAG 1 1 1 NAG NAG A . C 2 NAG 1 2 2 NAG NAG A . D 2 NAG 2 3 3 NAG NAG A . E 2 NAG 1 5 5 NAG NAG A . F 2 NAG 2 6 6 NAG NAG A . G 3 IAC 1 1001 1001 IAC IAC 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 1 701 701 HOH HOH A . M 8 HOH 2 702 702 HOH HOH A . M 8 HOH 3 703 703 HOH HOH A . M 8 HOH 4 704 704 HOH HOH A . M 8 HOH 5 705 705 HOH HOH A . M 8 HOH 6 706 706 HOH HOH A . M 8 HOH 7 707 707 HOH HOH A . M 8 HOH 8 708 708 HOH HOH A . M 8 HOH 9 709 709 HOH HOH A . M 8 HOH 10 710 710 HOH HOH A . M 8 HOH 11 711 711 HOH HOH A . M 8 HOH 12 712 712 HOH HOH A . M 8 HOH 13 713 713 HOH HOH A . M 8 HOH 14 714 714 HOH HOH A . M 8 HOH 15 715 715 HOH HOH A . M 8 HOH 16 716 716 HOH HOH A . M 8 HOH 17 717 717 HOH HOH A . M 8 HOH 18 718 718 HOH HOH A . M 8 HOH 19 719 719 HOH HOH A . M 8 HOH 20 720 720 HOH HOH A . M 8 HOH 21 721 721 HOH HOH A . M 8 HOH 22 722 722 HOH HOH A . M 8 HOH 23 723 723 HOH HOH A . M 8 HOH 24 724 724 HOH HOH A . M 8 HOH 25 725 725 HOH HOH A . M 8 HOH 26 726 726 HOH HOH A . M 8 HOH 27 727 727 HOH HOH A . M 8 HOH 28 728 728 HOH HOH A . M 8 HOH 29 729 729 HOH HOH A . M 8 HOH 30 730 730 HOH HOH A . M 8 HOH 31 731 731 HOH HOH A . M 8 HOH 32 732 732 HOH HOH A . M 8 HOH 33 733 733 HOH HOH A . M 8 HOH 34 734 734 HOH HOH A . M 8 HOH 35 735 735 HOH HOH A . M 8 HOH 36 736 736 HOH HOH A . M 8 HOH 37 737 737 HOH HOH A . M 8 HOH 38 738 738 HOH HOH A . M 8 HOH 39 739 739 HOH HOH A . M 8 HOH 40 740 740 HOH HOH A . M 8 HOH 41 741 741 HOH HOH A . M 8 HOH 42 742 742 HOH HOH A . M 8 HOH 43 743 743 HOH HOH A . M 8 HOH 44 744 744 HOH HOH A . M 8 HOH 45 745 745 HOH HOH A . M 8 HOH 46 746 746 HOH HOH A . M 8 HOH 47 747 747 HOH HOH A . M 8 HOH 48 748 748 HOH HOH A . M 8 HOH 49 749 749 HOH HOH A . M 8 HOH 50 750 750 HOH HOH A . M 8 HOH 51 751 751 HOH HOH A . M 8 HOH 52 752 752 HOH HOH A . M 8 HOH 53 753 753 HOH HOH A . M 8 HOH 54 754 754 HOH HOH A . M 8 HOH 55 755 755 HOH HOH A . M 8 HOH 56 756 756 HOH HOH A . M 8 HOH 57 757 757 HOH HOH A . M 8 HOH 58 758 758 HOH HOH A . M 8 HOH 59 759 759 HOH HOH A . M 8 HOH 60 760 760 HOH HOH A . M 8 HOH 61 761 761 HOH HOH A . M 8 HOH 62 762 762 HOH HOH A . M 8 HOH 63 763 763 HOH HOH A . M 8 HOH 64 764 764 HOH HOH A . M 8 HOH 65 765 765 HOH HOH A . M 8 HOH 66 766 766 HOH HOH A . M 8 HOH 67 767 767 HOH HOH A . M 8 HOH 68 768 768 HOH HOH A . M 8 HOH 69 769 769 HOH HOH A . M 8 HOH 70 770 770 HOH HOH A . M 8 HOH 71 771 771 HOH HOH A . M 8 HOH 72 772 772 HOH HOH A . M 8 HOH 73 773 773 HOH HOH A . M 8 HOH 74 774 774 HOH HOH A . M 8 HOH 75 776 776 HOH HOH A . M 8 HOH 76 778 778 HOH HOH A . M 8 HOH 77 779 779 HOH HOH A . M 8 HOH 78 780 780 HOH HOH A . M 8 HOH 79 781 781 HOH HOH A . M 8 HOH 80 782 782 HOH HOH A . M 8 HOH 81 784 784 HOH HOH A . M 8 HOH 82 785 785 HOH HOH A . M 8 HOH 83 787 787 HOH HOH A . M 8 HOH 84 788 788 HOH HOH A . M 8 HOH 85 789 789 HOH HOH A . M 8 HOH 86 790 790 HOH HOH A . M 8 HOH 87 791 791 HOH HOH A . M 8 HOH 88 792 792 HOH HOH A . M 8 HOH 89 793 793 HOH HOH A . M 8 HOH 90 794 794 HOH HOH A . M 8 HOH 91 795 795 HOH HOH A . M 8 HOH 92 796 796 HOH HOH A . M 8 HOH 93 797 797 HOH HOH A . M 8 HOH 94 798 798 HOH HOH A . M 8 HOH 95 799 799 HOH HOH A . M 8 HOH 96 800 800 HOH HOH A . M 8 HOH 97 801 801 HOH HOH A . M 8 HOH 98 802 802 HOH HOH A . M 8 HOH 99 803 803 HOH HOH A . M 8 HOH 100 804 804 HOH HOH A . M 8 HOH 101 805 805 HOH HOH A . M 8 HOH 102 807 807 HOH HOH A . M 8 HOH 103 808 808 HOH HOH A . M 8 HOH 104 809 809 HOH HOH A . M 8 HOH 105 810 810 HOH HOH A . M 8 HOH 106 811 811 HOH HOH A . M 8 HOH 107 812 812 HOH HOH A . M 8 HOH 108 813 813 HOH HOH A . M 8 HOH 109 814 814 HOH HOH A . M 8 HOH 110 816 816 HOH HOH A . M 8 HOH 111 817 817 HOH HOH A . M 8 HOH 112 818 818 HOH HOH A . M 8 HOH 113 820 820 HOH HOH A . M 8 HOH 114 821 821 HOH HOH A . M 8 HOH 115 823 823 HOH HOH A . M 8 HOH 116 824 824 HOH HOH A . M 8 HOH 117 825 825 HOH HOH A . M 8 HOH 118 826 826 HOH HOH A . M 8 HOH 119 828 828 HOH HOH A . M 8 HOH 120 829 829 HOH HOH A . M 8 HOH 121 830 830 HOH HOH A . M 8 HOH 122 831 831 HOH HOH A . M 8 HOH 123 832 832 HOH HOH A . M 8 HOH 124 833 833 HOH HOH A . M 8 HOH 125 834 834 HOH HOH A . M 8 HOH 126 835 835 HOH HOH A . M 8 HOH 127 836 836 HOH HOH A . M 8 HOH 128 837 837 HOH HOH A . M 8 HOH 129 838 838 HOH HOH A . M 8 HOH 130 840 840 HOH HOH A . M 8 HOH 131 841 841 HOH HOH A . M 8 HOH 132 842 842 HOH HOH A . M 8 HOH 133 843 843 HOH HOH A . M 8 HOH 134 844 844 HOH HOH A . M 8 HOH 135 845 845 HOH HOH A . M 8 HOH 136 846 846 HOH HOH A . M 8 HOH 137 847 847 HOH HOH A . M 8 HOH 138 849 849 HOH HOH A . M 8 HOH 139 850 850 HOH HOH A . M 8 HOH 140 851 851 HOH HOH A . M 8 HOH 141 852 852 HOH HOH A . M 8 HOH 142 854 854 HOH HOH A . M 8 HOH 143 855 855 HOH HOH A . M 8 HOH 144 856 856 HOH HOH A . M 8 HOH 145 857 857 HOH HOH A . M 8 HOH 146 858 858 HOH HOH A . M 8 HOH 147 859 859 HOH HOH A . M 8 HOH 148 860 860 HOH HOH A . M 8 HOH 149 861 861 HOH HOH A . M 8 HOH 150 862 862 HOH HOH A . #