data_3TTR # _entry.id 3TTR # _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 3TTR RCSB RCSB067908 WWPDB D_1000067908 # _pdbx_database_related.db_name PDB _pdbx_database_related.db_id 3O97 _pdbx_database_related.details Model _pdbx_database_related.content_type unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 3TTR _pdbx_database_status.recvd_initial_deposition_date 2011-09-15 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site PDBJ _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Yamini, S.' 1 'Gautam, L.' 2 'Singh, A.' 3 'Sinha, M.' 4 'Kaur, P.' 5 'Sharma, S.' 6 'Singh, T.P.' 7 # _citation.id primary _citation.title 'Crystal structure of C-lobe of bovine lactoferrin complexed with Lidocaine at 2.27 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 'Yamini, S.' 1 primary 'Gautam, L.' 2 primary 'Singh, A.' 3 primary 'Sinha, M.' 4 primary 'Kaur, P.' 5 primary 'Sharma, S.' 6 primary 'Singh, T.P.' 7 # _cell.entry_id 3TTR _cell.length_a 62.671 _cell.length_b 50.421 _cell.length_c 65.887 _cell.angle_alpha 90.00 _cell.angle_beta 107.33 _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 3TTR _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 'SULFATE ION' 96.063 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 '2-(diethylamino)-N-(2,6-dimethylphenyl)ethanamide' 234.337 1 ? ? ? ? 8 water nat water 18.015 279 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name 'Lactoferrin, Lactoferricin-B, Lfcin-B' # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no _entity_poly.pdbx_seq_one_letter_code ;YTRVVWCAVGPEEQKKCQQWSQQSGQNVTCATASTTDDCIVLVLKGEADALNLDGGYIYTAGKCGLVPVLAENRKSSKHS SLDCVLRPTEGYLAVAVVKKANEGLTWNSLKDKKSCHTAVDRTAGWNIPMGLIVNQTGSCAFDEFFSQSCAPGADPKSRL CALCAGDDQGLDKCVPNSKEKYYGYTGAFRCLAEDVGDVAFVKNDTVWENTNGESTADWAKNLKREDFRLLCLDGTRKPV TEAQSCHLAVAPNHAVVSRSDRAAHVEQVLLHQQALFGKNGKNCPDKFCLFKSETKNLLFNDNTECLAKLGGRPTYEEYL GTEYVTAIANLKKCSTSPLLEACAF ; _entity_poly.pdbx_seq_one_letter_code_can ;YTRVVWCAVGPEEQKKCQQWSQQSGQNVTCATASTTDDCIVLVLKGEADALNLDGGYIYTAGKCGLVPVLAENRKSSKHS SLDCVLRPTEGYLAVAVVKKANEGLTWNSLKDKKSCHTAVDRTAGWNIPMGLIVNQTGSCAFDEFFSQSCAPGADPKSRL CALCAGDDQGLDKCVPNSKEKYYGYTGAFRCLAEDVGDVAFVKNDTVWENTNGESTADWAKNLKREDFRLLCLDGTRKPV TEAQSCHLAVAPNHAVVSRSDRAAHVEQVLLHQQALFGKNGKNCPDKFCLFKSETKNLLFNDNTECLAKLGGRPTYEEYL GTEYVTAIANLKKCSTSPLLEACAF ; _entity_poly.pdbx_strand_id A _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 TYR n 1 2 THR n 1 3 ARG n 1 4 VAL n 1 5 VAL n 1 6 TRP n 1 7 CYS n 1 8 ALA n 1 9 VAL n 1 10 GLY n 1 11 PRO n 1 12 GLU n 1 13 GLU n 1 14 GLN n 1 15 LYS n 1 16 LYS n 1 17 CYS n 1 18 GLN n 1 19 GLN n 1 20 TRP n 1 21 SER n 1 22 GLN n 1 23 GLN n 1 24 SER n 1 25 GLY n 1 26 GLN n 1 27 ASN n 1 28 VAL n 1 29 THR n 1 30 CYS n 1 31 ALA n 1 32 THR n 1 33 ALA n 1 34 SER n 1 35 THR n 1 36 THR n 1 37 ASP n 1 38 ASP n 1 39 CYS n 1 40 ILE n 1 41 VAL n 1 42 LEU n 1 43 VAL n 1 44 LEU n 1 45 LYS n 1 46 GLY n 1 47 GLU n 1 48 ALA n 1 49 ASP n 1 50 ALA n 1 51 LEU n 1 52 ASN n 1 53 LEU n 1 54 ASP n 1 55 GLY n 1 56 GLY n 1 57 TYR n 1 58 ILE n 1 59 TYR n 1 60 THR n 1 61 ALA n 1 62 GLY n 1 63 LYS n 1 64 CYS n 1 65 GLY n 1 66 LEU n 1 67 VAL n 1 68 PRO n 1 69 VAL n 1 70 LEU n 1 71 ALA n 1 72 GLU n 1 73 ASN n 1 74 ARG n 1 75 LYS n 1 76 SER n 1 77 SER n 1 78 LYS n 1 79 HIS n 1 80 SER n 1 81 SER n 1 82 LEU n 1 83 ASP n 1 84 CYS n 1 85 VAL n 1 86 LEU n 1 87 ARG n 1 88 PRO n 1 89 THR n 1 90 GLU n 1 91 GLY n 1 92 TYR n 1 93 LEU n 1 94 ALA n 1 95 VAL n 1 96 ALA n 1 97 VAL n 1 98 VAL n 1 99 LYS n 1 100 LYS n 1 101 ALA n 1 102 ASN n 1 103 GLU n 1 104 GLY n 1 105 LEU n 1 106 THR n 1 107 TRP n 1 108 ASN n 1 109 SER n 1 110 LEU n 1 111 LYS n 1 112 ASP n 1 113 LYS n 1 114 LYS n 1 115 SER n 1 116 CYS n 1 117 HIS n 1 118 THR n 1 119 ALA n 1 120 VAL n 1 121 ASP n 1 122 ARG n 1 123 THR n 1 124 ALA n 1 125 GLY n 1 126 TRP n 1 127 ASN n 1 128 ILE n 1 129 PRO n 1 130 MET n 1 131 GLY n 1 132 LEU n 1 133 ILE n 1 134 VAL n 1 135 ASN n 1 136 GLN n 1 137 THR n 1 138 GLY n 1 139 SER n 1 140 CYS n 1 141 ALA n 1 142 PHE n 1 143 ASP n 1 144 GLU n 1 145 PHE n 1 146 PHE n 1 147 SER n 1 148 GLN n 1 149 SER n 1 150 CYS n 1 151 ALA n 1 152 PRO n 1 153 GLY n 1 154 ALA n 1 155 ASP n 1 156 PRO n 1 157 LYS n 1 158 SER n 1 159 ARG n 1 160 LEU n 1 161 CYS n 1 162 ALA n 1 163 LEU n 1 164 CYS n 1 165 ALA n 1 166 GLY n 1 167 ASP n 1 168 ASP n 1 169 GLN n 1 170 GLY n 1 171 LEU n 1 172 ASP n 1 173 LYS n 1 174 CYS n 1 175 VAL n 1 176 PRO n 1 177 ASN n 1 178 SER n 1 179 LYS n 1 180 GLU n 1 181 LYS n 1 182 TYR n 1 183 TYR n 1 184 GLY n 1 185 TYR n 1 186 THR n 1 187 GLY n 1 188 ALA n 1 189 PHE n 1 190 ARG n 1 191 CYS n 1 192 LEU n 1 193 ALA n 1 194 GLU n 1 195 ASP n 1 196 VAL n 1 197 GLY n 1 198 ASP n 1 199 VAL n 1 200 ALA n 1 201 PHE n 1 202 VAL n 1 203 LYS n 1 204 ASN n 1 205 ASP n 1 206 THR n 1 207 VAL n 1 208 TRP n 1 209 GLU n 1 210 ASN n 1 211 THR n 1 212 ASN n 1 213 GLY n 1 214 GLU n 1 215 SER n 1 216 THR n 1 217 ALA n 1 218 ASP n 1 219 TRP n 1 220 ALA n 1 221 LYS n 1 222 ASN n 1 223 LEU n 1 224 LYS n 1 225 ARG n 1 226 GLU n 1 227 ASP n 1 228 PHE n 1 229 ARG n 1 230 LEU n 1 231 LEU n 1 232 CYS n 1 233 LEU n 1 234 ASP n 1 235 GLY n 1 236 THR n 1 237 ARG n 1 238 LYS n 1 239 PRO n 1 240 VAL n 1 241 THR n 1 242 GLU n 1 243 ALA n 1 244 GLN n 1 245 SER n 1 246 CYS n 1 247 HIS n 1 248 LEU n 1 249 ALA n 1 250 VAL n 1 251 ALA n 1 252 PRO n 1 253 ASN n 1 254 HIS n 1 255 ALA n 1 256 VAL n 1 257 VAL n 1 258 SER n 1 259 ARG n 1 260 SER n 1 261 ASP n 1 262 ARG n 1 263 ALA n 1 264 ALA n 1 265 HIS n 1 266 VAL n 1 267 GLU n 1 268 GLN n 1 269 VAL n 1 270 LEU n 1 271 LEU n 1 272 HIS n 1 273 GLN n 1 274 GLN n 1 275 ALA n 1 276 LEU n 1 277 PHE n 1 278 GLY n 1 279 LYS n 1 280 ASN n 1 281 GLY n 1 282 LYS n 1 283 ASN n 1 284 CYS n 1 285 PRO n 1 286 ASP n 1 287 LYS n 1 288 PHE n 1 289 CYS n 1 290 LEU n 1 291 PHE n 1 292 LYS n 1 293 SER n 1 294 GLU n 1 295 THR n 1 296 LYS n 1 297 ASN n 1 298 LEU n 1 299 LEU n 1 300 PHE n 1 301 ASN n 1 302 ASP n 1 303 ASN n 1 304 THR n 1 305 GLU n 1 306 CYS n 1 307 LEU n 1 308 ALA n 1 309 LYS n 1 310 LEU n 1 311 GLY n 1 312 GLY n 1 313 ARG n 1 314 PRO n 1 315 THR n 1 316 TYR n 1 317 GLU n 1 318 GLU n 1 319 TYR n 1 320 LEU n 1 321 GLY n 1 322 THR n 1 323 GLU n 1 324 TYR n 1 325 VAL n 1 326 THR n 1 327 ALA n 1 328 ILE n 1 329 ALA n 1 330 ASN n 1 331 LEU n 1 332 LYS n 1 333 LYS n 1 334 CYS n 1 335 SER n 1 336 THR n 1 337 SER n 1 338 PRO n 1 339 LEU n 1 340 LEU n 1 341 GLU n 1 342 ALA n 1 343 CYS n 1 344 ALA n 1 345 PHE n # _entity_src_nat.entity_id 1 _entity_src_nat.pdbx_src_id 1 _entity_src_nat.pdbx_alt_source_flag sample _entity_src_nat.pdbx_beg_seq_num ? _entity_src_nat.pdbx_end_seq_num ? _entity_src_nat.common_name bovine _entity_src_nat.pdbx_organism_scientific 'Bos taurus' _entity_src_nat.pdbx_ncbi_taxonomy_id 9913 _entity_src_nat.genus ? _entity_src_nat.species ? _entity_src_nat.strain ? _entity_src_nat.tissue ? _entity_src_nat.tissue_fraction ? _entity_src_nat.pdbx_secretion ? _entity_src_nat.pdbx_fragment ? _entity_src_nat.pdbx_variant ? _entity_src_nat.pdbx_cell_line ? _entity_src_nat.pdbx_atcc ? _entity_src_nat.pdbx_cellular_location ? _entity_src_nat.pdbx_organ ? _entity_src_nat.pdbx_organelle ? _entity_src_nat.pdbx_cell ? _entity_src_nat.pdbx_plasmid_name ? _entity_src_nat.pdbx_plasmid_details ? _entity_src_nat.details ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code TRFL_BOVIN _struct_ref.pdbx_db_accession P24627 _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;YTRVVWCAVGPEEQKKCQQWSQQSGQNVTCATASTTDDCIVLVLKGEADALNLDGGYIYTAGKCGLVPVLAENRKSSKHS SLDCVLRPTEGYLAVAVVKKANEGLTWNSLKDKKSCHTAVDRTAGWNIPMGLIVNQTGSCAFDEFFSQSCAPGADPKSRL CALCAGDDQGLDKCVPNSKEKYYGYTGAFRCLAEDVGDVAFVKNDTVWENTNGESTADWAKNLNREDFRLLCLDGTRKPV TEAQSCHLAVAPNHAVVSRSDRAAHVKQVLLHQQALFGKNGKNCPDKFCLFKSETKNLLFNDNTECLAKLGGRPTYEEYL GTEYVTAIANLKKCSTSPLLEACAF ; _struct_ref.pdbx_align_begin 361 _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 3TTR _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 3TTR LYS A 224 ? UNP P24627 ASN 584 'SEE REMARK 999' 565 1 1 3TTR GLU A 267 ? UNP P24627 LYS 627 'SEE REMARK 999' 608 2 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CO3 non-polymer . 'CARBONATE ION' ? 'C O3 -2' 60.009 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 FE non-polymer . 'FE (III) ION' ? 'Fe 3' 55.845 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LQZ non-polymer . '2-(diethylamino)-N-(2,6-dimethylphenyl)ethanamide' ? 'C14 H22 N2 O' 234.337 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 3TTR _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.64 _exptl_crystal.density_percent_sol 53.39 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.temp 298 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 6.5 _exptl_crystal_grow.pdbx_details '0.01M Znso4, 0.1M MES, 25% PEG, Monomethyl Ether 550, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K' _exptl_crystal_grow.pdbx_pH_range . # _diffrn.id 1 _diffrn.ambient_temp 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 2011-09-05 _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 . _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 ? # _reflns.entry_id 3TTR _reflns.observed_criterion_sigma_I 0.0 _reflns.observed_criterion_sigma_F 0.0 _reflns.d_resolution_low 39.8 _reflns.d_resolution_high 2.27 _reflns.number_obs 17966 _reflns.number_all 17966 _reflns.percent_possible_obs 94.8 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value 0.0465 _reflns.pdbx_netI_over_sigmaI 9.3 _reflns.B_iso_Wilson_estimate 43.4 _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 2.27 _reflns_shell.d_res_low 2.35 _reflns_shell.percent_possible_all 95.5 _reflns_shell.Rmerge_I_obs ? _reflns_shell.pdbx_Rsym_value 0.2427 _reflns_shell.meanI_over_sigI_obs 2.0 _reflns_shell.pdbx_redundancy ? _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all ? _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_unique_obs ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_rejects ? _reflns_shell.pdbx_netI_over_sigmaI_obs ? _reflns_shell.number_possible ? _reflns_shell.Rmerge_F_all ? _reflns_shell.Rmerge_F_obs ? _reflns_shell.Rmerge_I_all ? _reflns_shell.meanI_over_sigI_all ? _reflns_shell.pdbx_Rrim_I_all ? _reflns_shell.pdbx_Rpim_I_all ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 # _refine.entry_id 3TTR _refine.ls_number_reflns_obs 17933 _refine.ls_number_reflns_all 17966 _refine.pdbx_ls_sigma_I 0.0 _refine.pdbx_ls_sigma_F 0.0 _refine.pdbx_data_cutoff_high_absF 1026404.10 _refine.pdbx_data_cutoff_low_absF 0.000000 _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 39.34 _refine.ls_d_res_high 2.27 _refine.ls_percent_reflns_obs 97.3 _refine.ls_R_factor_obs 0.221 _refine.ls_R_factor_all 0.223 _refine.ls_R_factor_R_work 0.221 _refine.ls_R_factor_R_free 0.241 _refine.ls_R_factor_R_free_error 0.008 _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 4.8 _refine.ls_number_reflns_R_free 866 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.B_iso_mean 40.5 _refine.aniso_B[1][1] 4.43 _refine.aniso_B[2][2] -3.87 _refine.aniso_B[3][3] -0.56 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] -2.88 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details 'FLAT MODEL' _refine.solvent_model_param_ksol 0.408934 _refine.solvent_model_param_bsol 101.242 _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details ? _refine.pdbx_starting_model 3O97 _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model RESTRAINED _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML ? _refine.pdbx_overall_phase_error ? _refine.overall_SU_B ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_diffrn_id 1 _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_overall_ESU_R ? _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_analyze.entry_id 3TTR _refine_analyze.Luzzati_coordinate_error_obs 0.23 _refine_analyze.Luzzati_sigma_a_obs 0.25 _refine_analyze.Luzzati_d_res_low_obs 5.00 _refine_analyze.Luzzati_coordinate_error_free 0.27 _refine_analyze.Luzzati_sigma_a_free 0.24 _refine_analyze.Luzzati_d_res_low_free ? _refine_analyze.number_disordered_residues ? _refine_analyze.occupancy_sum_hydrogen ? _refine_analyze.occupancy_sum_non_hydrogen ? _refine_analyze.pdbx_Luzzati_d_res_high_obs ? _refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION' # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 2604 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 99 _refine_hist.number_atoms_solvent 279 _refine_hist.number_atoms_total 2982 _refine_hist.d_res_high 2.27 _refine_hist.d_res_low 39.34 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_restraint_function _refine_ls_restr.pdbx_refine_id c_bond_d 0.009 ? ? ? ? 'X-RAY DIFFRACTION' c_angle_deg 1.8 ? ? ? ? 'X-RAY DIFFRACTION' c_dihedral_angle_d 24.2 ? ? ? ? 'X-RAY DIFFRACTION' c_improper_angle_d 1.32 ? ? ? ? 'X-RAY DIFFRACTION' c_mcbond_it 1.43 1.50 ? ? ? 'X-RAY DIFFRACTION' c_mcangle_it 2.41 2.00 ? ? ? 'X-RAY DIFFRACTION' c_scbond_it 2.07 2.00 ? ? ? 'X-RAY DIFFRACTION' c_scangle_it 3.12 2.50 ? ? ? 'X-RAY DIFFRACTION' # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.pdbx_total_number_of_bins_used 6 _refine_ls_shell.d_res_high 2.27 _refine_ls_shell.d_res_low 2.41 _refine_ls_shell.number_reflns_R_work 2817 _refine_ls_shell.R_factor_R_work 0.241 _refine_ls_shell.percent_reflns_obs 97.3 _refine_ls_shell.R_factor_R_free 0.252 _refine_ls_shell.R_factor_R_free_error 0.020 _refine_ls_shell.percent_reflns_R_free 5.2 _refine_ls_shell.number_reflns_R_free 155 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.redundancy_reflns_obs ? # loop_ _pdbx_xplor_file.pdbx_refine_id _pdbx_xplor_file.serial_no _pdbx_xplor_file.param_file _pdbx_xplor_file.topol_file 'X-RAY DIFFRACTION' 1 protein_rep.param protein.top 'X-RAY DIFFRACTION' 2 ion.param ion.top 'X-RAY DIFFRACTION' 3 water_rep.param water.top 'X-RAY DIFFRACTION' 4 carbohydrate.param carbohydrate.top 'X-RAY DIFFRACTION' 5 lig.param lig.top # _struct.entry_id 3TTR _struct.title 'Crystal structure of C-lobe of bovine lactoferrin complexed with Lidocaine at 2.27 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 3TTR _struct_keywords.pdbx_keywords HYDROLASE _struct_keywords.text 'Complex, C-lobe, Lactoferrin, Lidocaine, 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 TYR A 183 ? GLU A 194 ? TYR A 524 GLU A 535 1 ? 12 HELX_P HELX_P7 7 ASN A 204 ? ASN A 210 ? ASN A 545 ASN A 551 1 ? 7 HELX_P HELX_P8 8 LYS A 224 ? GLU A 226 ? LYS A 565 GLU A 567 5 ? 3 HELX_P HELX_P9 9 PRO A 239 ? CYS A 246 ? PRO A 580 CYS A 587 5 ? 8 HELX_P HELX_P10 10 ARG A 262 ? GLY A 278 ? ARG A 603 GLY A 619 1 ? 17 HELX_P HELX_P11 11 THR A 315 ? GLY A 321 ? THR A 656 GLY A 662 1 ? 7 HELX_P HELX_P12 12 GLY A 321 ? LYS A 333 ? GLY A 662 LYS A 674 1 ? 13 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 7 SG ? ? ? 1_555 A CYS 39 SG ? ? A CYS 348 A CYS 380 1_555 ? ? ? ? ? ? ? 2.031 ? disulf2 disulf ? ? A CYS 17 SG ? ? ? 1_555 A CYS 30 SG ? ? A CYS 358 A CYS 371 1_555 ? ? ? ? ? ? ? 2.033 ? disulf3 disulf ? ? A CYS 64 SG ? ? ? 1_555 A CYS 343 SG ? ? A CYS 405 A CYS 684 1_555 ? ? ? ? ? ? ? 2.030 ? disulf4 disulf ? ? A CYS 84 SG ? ? ? 1_555 A CYS 306 SG ? ? A CYS 425 A CYS 647 1_555 ? ? ? ? ? ? ? 2.028 ? disulf5 disulf ? ? A CYS 116 SG ? ? ? 1_555 A CYS 191 SG ? ? A CYS 457 A CYS 532 1_555 ? ? ? ? ? ? ? 2.030 ? disulf6 disulf ? ? A CYS 140 SG ? ? ? 1_555 A CYS 334 SG ? ? A CYS 481 A CYS 675 1_555 ? ? ? ? ? ? ? 2.026 ? disulf7 disulf ? ? A CYS 150 SG ? ? ? 1_555 A CYS 164 SG ? ? A CYS 491 A CYS 505 1_555 ? ? ? ? ? ? ? 2.036 ? disulf8 disulf ? ? A CYS 161 SG ? ? ? 1_555 A CYS 174 SG ? ? A CYS 502 A CYS 515 1_555 ? ? ? ? ? ? ? 2.027 ? disulf9 disulf ? ? A CYS 232 SG ? ? ? 1_555 A CYS 246 SG ? ? A CYS 573 A CYS 587 1_555 ? ? ? ? ? ? ? 2.034 ? disulf10 disulf ? ? A CYS 284 SG ? ? ? 1_555 A CYS 289 SG ? ? A CYS 625 A CYS 630 1_555 ? ? ? ? ? ? ? 2.032 ? covale1 covale ? ? A ASN 204 ND2 ? ? ? 1_555 E NAG . C1 ? ? A ASN 545 A NAG 8 1_555 ? ? ? ? ? ? ? 1.399 ? covale2 covale ? ? A ASN 27 ND2 ? ? ? 1_555 B NAG . C1 ? ? A ASN 368 A NAG 2 1_555 ? ? ? ? ? ? ? 1.403 ? covale3 covale ? ? C NAG . O4 ? ? ? 1_555 D NAG . C1 ? ? A NAG 3 A NAG 4 1_555 ? ? ? ? ? ? ? 1.403 ? covale4 covale ? ? E NAG . O4 ? ? ? 1_555 F NAG . C1 ? ? A NAG 8 A NAG 9 1_555 ? ? ? ? ? ? ? 1.417 ? covale5 covale ? ? A ASN 135 ND2 ? ? ? 1_555 C NAG . C1 ? ? A ASN 476 A NAG 3 1_555 ? ? ? ? ? ? ? 1.446 ? metalc1 metalc ? ? A TYR 185 OH ? ? ? 1_555 J FE . FE ? ? A TYR 526 A FE 84 1_555 ? ? ? ? ? ? ? 1.928 ? metalc2 metalc ? ? A ASP 54 OD1 ? ? ? 1_555 J FE . FE ? ? A ASP 395 A FE 84 1_555 ? ? ? ? ? ? ? 1.985 ? metalc3 metalc ? ? A TYR 92 OH ? ? ? 1_555 J FE . FE ? ? A TYR 433 A FE 84 1_555 ? ? ? ? ? ? ? 2.064 ? metalc4 metalc ? ? I ZN . ZN ? ? ? 1_555 M HOH . O ? ? A ZN 82 A HOH 177 1_555 ? ? ? ? ? ? ? 2.158 ? metalc5 metalc ? ? J FE . FE ? ? ? 1_555 K CO3 . O2 ? ? A FE 84 A CO3 85 1_555 ? ? ? ? ? ? ? 2.175 ? metalc6 metalc ? ? A HIS 247 NE2 ? ? ? 1_555 I ZN . ZN ? ? A HIS 588 A ZN 82 1_555 ? ? ? ? ? ? ? 2.205 ? metalc7 metalc ? ? A HIS 254 NE2 ? ? ? 1_555 J FE . FE ? ? A HIS 595 A FE 84 1_555 ? ? ? ? ? ? ? 2.222 ? metalc8 metalc ? ? A GLU 318 OE2 ? ? ? 1_555 H ZN . ZN ? ? A GLU 659 A ZN 81 1_555 ? ? ? ? ? ? ? 2.239 ? metalc9 metalc ? ? J FE . FE ? ? ? 1_555 K CO3 . O1 ? ? A FE 84 A CO3 85 1_555 ? ? ? ? ? ? ? 2.296 ? metalc10 metalc ? ? H ZN . ZN ? ? ? 1_555 M HOH . O ? ? A ZN 81 A HOH 148 1_555 ? ? ? ? ? ? ? 2.301 ? metalc11 metalc ? ? A GLU 318 OE1 ? ? ? 1_555 H ZN . ZN ? ? A GLU 659 A ZN 81 1_555 ? ? ? ? ? ? ? 2.479 ? # 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 15.22 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 2 ? B ? 4 ? C ? 6 ? D ? 5 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? parallel B 1 2 ? anti-parallel B 2 3 ? anti-parallel B 3 4 ? anti-parallel C 1 2 ? parallel C 2 3 ? parallel C 3 4 ? anti-parallel C 4 5 ? anti-parallel C 5 6 ? anti-parallel D 1 2 ? parallel D 2 3 ? parallel D 3 4 ? anti-parallel D 4 5 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 VAL A 4 ? VAL A 9 ? VAL A 345 VAL A 350 A 2 VAL A 28 ? ALA A 33 ? VAL A 369 ALA A 374 B 1 ALA A 50 ? LEU A 53 ? ALA A 391 LEU A 394 B 2 ALA A 255 ? ARG A 259 ? ALA A 596 ARG A 600 B 3 LEU A 66 ? ASN A 73 ? LEU A 407 ASN A 414 B 4 CYS A 306 ? ALA A 308 ? CYS A 647 ALA A 649 C 1 GLN A 148 ? CYS A 150 ? GLN A 489 CYS A 491 C 2 LYS A 114 ? HIS A 117 ? LYS A 455 HIS A 458 C 3 VAL A 199 ? LYS A 203 ? VAL A 540 LYS A 544 C 4 TYR A 92 ? LYS A 99 ? TYR A 433 LYS A 440 C 5 PHE A 228 ? LEU A 231 ? PHE A 569 LEU A 572 C 6 ARG A 237 ? LYS A 238 ? ARG A 578 LYS A 579 D 1 GLN A 148 ? CYS A 150 ? GLN A 489 CYS A 491 D 2 LYS A 114 ? HIS A 117 ? LYS A 455 HIS A 458 D 3 VAL A 199 ? LYS A 203 ? VAL A 540 LYS A 544 D 4 TYR A 92 ? LYS A 99 ? TYR A 433 LYS A 440 D 5 ALA A 249 ? ALA A 251 ? ALA A 590 ALA A 592 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 N ALA A 8 ? N ALA A 349 O ALA A 31 ? O ALA A 372 B 1 2 N LEU A 53 ? N LEU A 394 O ALA A 255 ? O ALA A 596 B 2 3 O VAL A 256 ? O VAL A 597 N LEU A 70 ? N LEU A 411 B 3 4 N ALA A 71 ? N ALA A 412 O ALA A 308 ? O ALA A 649 C 1 2 O CYS A 150 ? O CYS A 491 N HIS A 117 ? N HIS A 458 C 2 3 N CYS A 116 ? N CYS A 457 O PHE A 201 ? O PHE A 542 C 3 4 O 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 PHE A 201 ? O PHE A 542 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 ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG A 2' AC2 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 3' AC3 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 4' AC4 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG A 8' AC5 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE NAG A 9' AC6 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE SO4 A 68' AC7 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE ZN A 81' AC8 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE ZN A 82' AC9 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE FE A 84' BC1 Software ? ? ? ? 10 'BINDING SITE FOR RESIDUE CO3 A 85' BC2 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE LQZ A 90' # 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 6 HOH M . ? HOH A 229 . ? 1_555 ? 2 AC1 6 HOH M . ? HOH A 295 . ? 1_555 ? 3 AC1 6 SER A 24 ? SER A 365 . ? 1_555 ? 4 AC1 6 ASN A 27 ? ASN A 368 . ? 1_555 ? 5 AC1 6 GLN A 273 ? GLN A 614 . ? 1_555 ? 6 AC1 6 LEU A 276 ? LEU A 617 . ? 1_555 ? 7 AC2 4 NAG D . ? NAG A 4 . ? 1_555 ? 8 AC2 4 HOH M . ? HOH A 247 . ? 1_555 ? 9 AC2 4 ASN A 135 ? ASN A 476 . ? 1_555 ? 10 AC2 4 ASN A 330 ? ASN A 671 . ? 1_555 ? 11 AC3 4 NAG C . ? NAG A 3 . ? 1_555 ? 12 AC3 4 HOH M . ? HOH A 269 . ? 1_555 ? 13 AC3 4 THR A 326 ? THR A 667 . ? 1_555 ? 14 AC3 4 ASN A 330 ? ASN A 671 . ? 1_555 ? 15 AC4 5 NAG F . ? NAG A 9 . ? 1_555 ? 16 AC4 5 HOH M . ? HOH A 277 . ? 1_555 ? 17 AC4 5 ASN A 204 ? ASN A 545 . ? 1_555 ? 18 AC4 5 ASP A 205 ? ASP A 546 . ? 1_555 ? 19 AC4 5 GLN A 244 ? GLN A 585 . ? 1_555 ? 20 AC5 2 NAG E . ? NAG A 8 . ? 1_555 ? 21 AC5 2 TRP A 208 ? TRP A 549 . ? 1_555 ? 22 AC6 3 HOH M . ? HOH A 237 . ? 1_555 ? 23 AC6 3 ARG A 229 ? ARG A 570 . ? 1_555 ? 24 AC6 3 ARG A 237 ? ARG A 578 . ? 1_555 ? 25 AC7 2 HOH M . ? HOH A 148 . ? 1_555 ? 26 AC7 2 GLU A 318 ? GLU A 659 . ? 1_555 ? 27 AC8 2 HOH M . ? HOH A 177 . ? 1_555 ? 28 AC8 2 HIS A 247 ? HIS A 588 . ? 1_555 ? 29 AC9 5 CO3 K . ? CO3 A 85 . ? 1_555 ? 30 AC9 5 ASP A 54 ? ASP A 395 . ? 1_555 ? 31 AC9 5 TYR A 92 ? TYR A 433 . ? 1_555 ? 32 AC9 5 TYR A 185 ? TYR A 526 . ? 1_555 ? 33 AC9 5 HIS A 254 ? HIS A 595 . ? 1_555 ? 34 BC1 10 FE J . ? FE A 84 . ? 1_555 ? 35 BC1 10 ASP A 54 ? ASP A 395 . ? 1_555 ? 36 BC1 10 TYR A 92 ? TYR A 433 . ? 1_555 ? 37 BC1 10 THR A 118 ? THR A 459 . ? 1_555 ? 38 BC1 10 ARG A 122 ? ARG A 463 . ? 1_555 ? 39 BC1 10 THR A 123 ? THR A 464 . ? 1_555 ? 40 BC1 10 ALA A 124 ? ALA A 465 . ? 1_555 ? 41 BC1 10 GLY A 125 ? GLY A 466 . ? 1_555 ? 42 BC1 10 TYR A 185 ? TYR A 526 . ? 1_555 ? 43 BC1 10 HIS A 254 ? HIS A 595 . ? 1_555 ? 44 BC2 4 PRO A 88 ? PRO A 429 . ? 1_555 ? 45 BC2 4 THR A 89 ? THR A 430 . ? 1_555 ? 46 BC2 4 LEU A 310 ? LEU A 651 . ? 1_555 ? 47 BC2 4 GLY A 311 ? GLY A 652 . ? 1_555 ? # _database_PDB_matrix.entry_id 3TTR _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 3TTR _atom_sites.fract_transf_matrix[1][1] 0.015956 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.004979 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.019833 _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] 0.015899 _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 ? 41.179 12.386 30.435 1.00 69.26 ? 342 TYR A N 1 ATOM 2 C CA . TYR A 1 1 ? 39.706 12.535 30.345 1.00 69.50 ? 342 TYR A CA 1 ATOM 3 C C . TYR A 1 1 ? 39.489 11.543 29.212 1.00 68.10 ? 342 TYR A C 1 ATOM 4 O O . TYR A 1 1 ? 39.105 10.401 29.449 1.00 68.27 ? 342 TYR A O 1 ATOM 5 C CB . TYR A 1 1 ? 39.325 14.018 30.177 1.00 70.94 ? 342 TYR A CB 1 ATOM 6 C CG . TYR A 1 1 ? 38.597 14.648 31.351 1.00 72.63 ? 342 TYR A CG 1 ATOM 7 C CD1 . TYR A 1 1 ? 39.012 15.876 31.868 1.00 73.52 ? 342 TYR A CD1 1 ATOM 8 C CD2 . TYR A 1 1 ? 37.478 14.036 31.924 1.00 72.66 ? 342 TYR A CD2 1 ATOM 9 C CE1 . TYR A 1 1 ? 38.339 16.479 32.922 1.00 74.34 ? 342 TYR A CE1 1 ATOM 10 C CE2 . TYR A 1 1 ? 36.794 14.634 32.980 1.00 73.67 ? 342 TYR A CE2 1 ATOM 11 C CZ . TYR A 1 1 ? 37.233 15.852 33.473 1.00 74.80 ? 342 TYR A CZ 1 ATOM 12 O OH . TYR A 1 1 ? 36.574 16.429 34.532 1.00 74.65 ? 342 TYR A OH 1 ATOM 13 N N . THR A 1 2 ? 39.807 11.889 27.985 1.00 65.53 ? 343 THR A N 1 ATOM 14 C CA . THR A 1 2 ? 39.090 11.425 26.826 1.00 63.29 ? 343 THR A CA 1 ATOM 15 C C . THR A 1 2 ? 39.265 9.940 26.415 1.00 60.81 ? 343 THR A C 1 ATOM 16 O O . THR A 1 2 ? 39.690 9.619 25.319 1.00 62.05 ? 343 THR A O 1 ATOM 17 C CB . THR A 1 2 ? 39.594 12.216 25.648 1.00 63.89 ? 343 THR A CB 1 ATOM 18 O OG1 . THR A 1 2 ? 41.017 12.275 25.704 1.00 64.79 ? 343 THR A OG1 1 ATOM 19 C CG2 . THR A 1 2 ? 39.080 13.596 25.703 1.00 63.87 ? 343 THR A CG2 1 ATOM 20 N N . ARG A 1 3 ? 38.798 9.058 27.277 1.00 57.04 ? 344 ARG A N 1 ATOM 21 C CA . ARG A 1 3 ? 38.480 7.691 26.960 1.00 54.08 ? 344 ARG A CA 1 ATOM 22 C C . ARG A 1 3 ? 36.981 7.516 27.130 1.00 49.99 ? 344 ARG A C 1 ATOM 23 O O . ARG A 1 3 ? 36.422 7.854 28.127 1.00 50.29 ? 344 ARG A O 1 ATOM 24 C CB . ARG A 1 3 ? 39.227 6.693 27.844 1.00 55.63 ? 344 ARG A CB 1 ATOM 25 C CG . ARG A 1 3 ? 40.601 6.390 27.351 1.00 58.69 ? 344 ARG A CG 1 ATOM 26 C CD . ARG A 1 3 ? 41.192 5.064 27.811 1.00 60.88 ? 344 ARG A CD 1 ATOM 27 N NE . ARG A 1 3 ? 42.337 4.732 26.974 1.00 63.08 ? 344 ARG A NE 1 ATOM 28 C CZ . ARG A 1 3 ? 43.605 5.056 27.217 1.00 64.69 ? 344 ARG A CZ 1 ATOM 29 N NH1 . ARG A 1 3 ? 43.956 5.703 28.304 1.00 65.01 ? 344 ARG A NH1 1 ATOM 30 N NH2 . ARG A 1 3 ? 44.534 4.717 26.358 1.00 64.63 ? 344 ARG A NH2 1 ATOM 31 N N . VAL A 1 4 ? 36.337 6.991 26.125 1.00 44.72 ? 345 VAL A N 1 ATOM 32 C CA . VAL A 1 4 ? 34.915 6.750 26.178 1.00 39.03 ? 345 VAL A CA 1 ATOM 33 C C . VAL A 1 4 ? 34.734 5.246 26.193 1.00 36.20 ? 345 VAL A C 1 ATOM 34 O O . VAL A 1 4 ? 35.400 4.531 25.449 1.00 34.01 ? 345 VAL A O 1 ATOM 35 C CB . VAL A 1 4 ? 34.222 7.355 24.924 1.00 38.39 ? 345 VAL A CB 1 ATOM 36 C CG1 . VAL A 1 4 ? 32.860 6.731 24.720 1.00 38.03 ? 345 VAL A CG1 1 ATOM 37 C CG2 . VAL A 1 4 ? 34.101 8.863 25.072 1.00 36.59 ? 345 VAL A CG2 1 ATOM 38 N N . VAL A 1 5 ? 33.870 4.760 27.069 1.00 33.31 ? 346 VAL A N 1 ATOM 39 C CA . VAL A 1 5 ? 33.613 3.337 27.118 1.00 31.47 ? 346 VAL A CA 1 ATOM 40 C C . VAL A 1 5 ? 32.259 3.122 26.462 1.00 28.51 ? 346 VAL A C 1 ATOM 41 O O . VAL A 1 5 ? 31.236 3.589 26.970 1.00 27.56 ? 346 VAL A O 1 ATOM 42 C CB . VAL A 1 5 ? 33.565 2.814 28.568 1.00 31.96 ? 346 VAL A CB 1 ATOM 43 C CG1 . VAL A 1 5 ? 33.379 1.299 28.560 1.00 27.87 ? 346 VAL A CG1 1 ATOM 44 C CG2 . VAL A 1 5 ? 34.836 3.193 29.298 1.00 30.18 ? 346 VAL A CG2 1 ATOM 45 N N . TRP A 1 6 ? 32.263 2.522 25.281 1.00 26.38 ? 347 TRP A N 1 ATOM 46 C CA . TRP A 1 6 ? 31.068 2.100 24.556 1.00 27.96 ? 347 TRP A CA 1 ATOM 47 C C . TRP A 1 6 ? 30.385 0.880 25.190 1.00 26.50 ? 347 TRP A C 1 ATOM 48 O O . TRP A 1 6 ? 31.027 0.047 25.723 1.00 27.07 ? 347 TRP A O 1 ATOM 49 C CB . TRP A 1 6 ? 31.355 1.862 23.074 1.00 25.84 ? 347 TRP A CB 1 ATOM 50 C CG . TRP A 1 6 ? 30.212 2.228 22.184 1.00 25.03 ? 347 TRP A CG 1 ATOM 51 C CD1 . TRP A 1 6 ? 29.317 1.411 21.658 1.00 22.97 ? 347 TRP A CD1 1 ATOM 52 C CD2 . TRP A 1 6 ? 29.848 3.531 21.766 1.00 23.36 ? 347 TRP A CD2 1 ATOM 53 N NE1 . TRP A 1 6 ? 28.423 2.083 20.949 1.00 24.57 ? 347 TRP A NE1 1 ATOM 54 C CE2 . TRP A 1 6 ? 28.726 3.404 20.986 1.00 24.40 ? 347 TRP A CE2 1 ATOM 55 C CE3 . TRP A 1 6 ? 30.362 4.795 21.999 1.00 23.63 ? 347 TRP A CE3 1 ATOM 56 C CZ2 . TRP A 1 6 ? 28.111 4.484 20.416 1.00 23.70 ? 347 TRP A CZ2 1 ATOM 57 C CZ3 . TRP A 1 6 ? 29.763 5.844 21.448 1.00 23.66 ? 347 TRP A CZ3 1 ATOM 58 C CH2 . TRP A 1 6 ? 28.651 5.701 20.672 1.00 24.07 ? 347 TRP A CH2 1 ATOM 59 N N . CYS A 1 7 ? 29.070 0.811 25.149 1.00 26.19 ? 348 CYS A N 1 ATOM 60 C CA . CYS A 1 7 ? 28.428 -0.384 25.673 1.00 26.29 ? 348 CYS A CA 1 ATOM 61 C C . CYS A 1 7 ? 27.901 -1.181 24.491 1.00 25.90 ? 348 CYS A C 1 ATOM 62 O O . CYS A 1 7 ? 27.054 -0.711 23.730 1.00 26.04 ? 348 CYS A O 1 ATOM 63 C CB . CYS A 1 7 ? 27.279 -0.049 26.630 1.00 25.09 ? 348 CYS A CB 1 ATOM 64 S SG . CYS A 1 7 ? 26.729 -1.503 27.588 1.00 27.70 ? 348 CYS A SG 1 ATOM 65 N N . ALA A 1 8 ? 28.433 -2.381 24.324 1.00 25.83 ? 349 ALA A N 1 ATOM 66 C CA . ALA A 1 8 ? 28.011 -3.244 23.239 1.00 25.14 ? 349 ALA A CA 1 ATOM 67 C C . ALA A 1 8 ? 26.931 -4.204 23.732 1.00 24.15 ? 349 ALA A C 1 ATOM 68 O O . ALA A 1 8 ? 26.962 -4.669 24.875 1.00 22.97 ? 349 ALA A O 1 ATOM 69 C CB . ALA A 1 8 ? 29.208 -4.018 22.695 1.00 26.45 ? 349 ALA A CB 1 ATOM 70 N N . VAL A 1 9 ? 25.972 -4.491 22.861 1.00 23.58 ? 350 VAL A N 1 ATOM 71 C CA . VAL A 1 9 ? 24.877 -5.389 23.192 1.00 23.31 ? 350 VAL A CA 1 ATOM 72 C C . VAL A 1 9 ? 25.053 -6.717 22.462 1.00 24.57 ? 350 VAL A C 1 ATOM 73 O O . VAL A 1 9 ? 24.851 -6.793 21.252 1.00 24.94 ? 350 VAL A O 1 ATOM 74 C CB . VAL A 1 9 ? 23.520 -4.764 22.790 1.00 25.00 ? 350 VAL A CB 1 ATOM 75 C CG1 . VAL A 1 9 ? 22.372 -5.699 23.172 1.00 23.17 ? 350 VAL A CG1 1 ATOM 76 C CG2 . VAL A 1 9 ? 23.344 -3.401 23.475 1.00 23.18 ? 350 VAL A CG2 1 ATOM 77 N N . GLY A 1 10 ? 25.446 -7.752 23.205 1.00 26.33 ? 351 GLY A N 1 ATOM 78 C CA . GLY A 1 10 ? 25.650 -9.062 22.615 1.00 26.75 ? 351 GLY A CA 1 ATOM 79 C C . GLY A 1 10 ? 27.080 -9.307 22.162 1.00 28.88 ? 351 GLY A C 1 ATOM 80 O O . GLY A 1 10 ? 27.870 -8.363 22.042 1.00 25.97 ? 351 GLY A O 1 ATOM 81 N N . PRO A 1 11 ? 27.449 -10.580 21.920 1.00 30.47 ? 352 PRO A N 1 ATOM 82 C CA . PRO A 1 11 ? 28.794 -10.972 21.475 1.00 30.70 ? 352 PRO A CA 1 ATOM 83 C C . PRO A 1 11 ? 29.234 -10.399 20.123 1.00 31.24 ? 352 PRO A C 1 ATOM 84 O O . PRO A 1 11 ? 30.421 -10.137 19.909 1.00 31.31 ? 352 PRO A O 1 ATOM 85 C CB . PRO A 1 11 ? 28.726 -12.501 21.469 1.00 31.49 ? 352 PRO A CB 1 ATOM 86 C CG . PRO A 1 11 ? 27.252 -12.798 21.300 1.00 31.54 ? 352 PRO A CG 1 ATOM 87 C CD . PRO A 1 11 ? 26.621 -11.770 22.201 1.00 32.17 ? 352 PRO A CD 1 ATOM 88 N N . GLU A 1 12 ? 28.290 -10.202 19.210 1.00 30.56 ? 353 GLU A N 1 ATOM 89 C CA . GLU A 1 12 ? 28.630 -9.663 17.897 1.00 32.18 ? 353 GLU A CA 1 ATOM 90 C C . GLU A 1 12 ? 29.001 -8.191 17.939 1.00 31.51 ? 353 GLU A C 1 ATOM 91 O O . GLU A 1 12 ? 29.951 -7.763 17.274 1.00 33.39 ? 353 GLU A O 1 ATOM 92 C CB . GLU A 1 12 ? 27.480 -9.892 16.923 1.00 33.91 ? 353 GLU A CB 1 ATOM 93 C CG . GLU A 1 12 ? 27.731 -11.009 15.945 1.00 39.41 ? 353 GLU A CG 1 ATOM 94 C CD . GLU A 1 12 ? 26.445 -11.635 15.448 1.00 41.89 ? 353 GLU A CD 1 ATOM 95 O OE1 . GLU A 1 12 ? 25.456 -10.898 15.254 1.00 43.05 ? 353 GLU A OE1 1 ATOM 96 O OE2 . GLU A 1 12 ? 26.421 -12.868 15.249 1.00 46.87 ? 353 GLU A OE2 1 ATOM 97 N N . GLU A 1 13 ? 28.257 -7.405 18.705 1.00 29.34 ? 354 GLU A N 1 ATOM 98 C CA . GLU A 1 13 ? 28.592 -5.995 18.802 1.00 29.45 ? 354 GLU A CA 1 ATOM 99 C C . GLU A 1 13 ? 29.892 -5.908 19.581 1.00 30.17 ? 354 GLU A C 1 ATOM 100 O O . GLU A 1 13 ? 30.700 -5.012 19.349 1.00 28.77 ? 354 GLU A O 1 ATOM 101 C CB . GLU A 1 13 ? 27.483 -5.201 19.498 1.00 28.67 ? 354 GLU A CB 1 ATOM 102 C CG . GLU A 1 13 ? 26.166 -5.181 18.750 1.00 27.88 ? 354 GLU A CG 1 ATOM 103 C CD . GLU A 1 13 ? 25.403 -3.893 18.995 1.00 28.76 ? 354 GLU A CD 1 ATOM 104 O OE1 . GLU A 1 13 ? 25.378 -3.423 20.155 1.00 30.04 ? 354 GLU A OE1 1 ATOM 105 O OE2 . GLU A 1 13 ? 24.825 -3.340 18.036 1.00 28.91 ? 354 GLU A OE2 1 ATOM 106 N N . GLN A 1 14 ? 30.100 -6.862 20.489 1.00 32.01 ? 355 GLN A N 1 ATOM 107 C CA . GLN A 1 14 ? 31.327 -6.889 21.280 1.00 34.13 ? 355 GLN A CA 1 ATOM 108 C C . GLN A 1 14 ? 32.524 -7.074 20.372 1.00 33.76 ? 355 GLN A C 1 ATOM 109 O O . GLN A 1 14 ? 33.524 -6.370 20.499 1.00 33.19 ? 355 GLN A O 1 ATOM 110 C CB . GLN A 1 14 ? 31.323 -8.025 22.311 1.00 36.21 ? 355 GLN A CB 1 ATOM 111 C CG . GLN A 1 14 ? 32.619 -8.073 23.130 1.00 39.48 ? 355 GLN A CG 1 ATOM 112 C CD . GLN A 1 14 ? 32.667 -9.226 24.116 1.00 42.25 ? 355 GLN A CD 1 ATOM 113 O OE1 . GLN A 1 14 ? 32.811 -10.391 23.732 1.00 47.52 ? 355 GLN A OE1 1 ATOM 114 N NE2 . GLN A 1 14 ? 32.545 -8.904 25.401 1.00 46.25 ? 355 GLN A NE2 1 ATOM 115 N N . LYS A 1 15 ? 32.427 -8.031 19.456 1.00 34.18 ? 356 LYS A N 1 ATOM 116 C CA . LYS A 1 15 ? 33.538 -8.271 18.550 1.00 34.96 ? 356 LYS A CA 1 ATOM 117 C C . LYS A 1 15 ? 33.836 -7.011 17.758 1.00 34.47 ? 356 LYS A C 1 ATOM 118 O O . LYS A 1 15 ? 34.990 -6.595 17.649 1.00 35.57 ? 356 LYS A O 1 ATOM 119 C CB . LYS A 1 15 ? 33.243 -9.430 17.597 1.00 36.06 ? 356 LYS A CB 1 ATOM 120 C CG . LYS A 1 15 ? 34.393 -9.701 16.638 1.00 40.97 ? 356 LYS A CG 1 ATOM 121 C CD . LYS A 1 15 ? 34.106 -10.878 15.717 1.00 45.04 ? 356 LYS A CD 1 ATOM 122 C CE . LYS A 1 15 ? 35.070 -10.902 14.533 1.00 47.15 ? 356 LYS A CE 1 ATOM 123 N NZ . LYS A 1 15 ? 34.542 -11.770 13.439 1.00 48.87 ? 356 LYS A NZ 1 ATOM 124 N N . LYS A 1 16 ? 32.797 -6.389 17.214 1.00 33.56 ? 357 LYS A N 1 ATOM 125 C CA . LYS A 1 16 ? 32.999 -5.178 16.437 1.00 32.20 ? 357 LYS A CA 1 ATOM 126 C C . LYS A 1 16 ? 33.564 -4.027 17.258 1.00 32.69 ? 357 LYS A C 1 ATOM 127 O O . LYS A 1 16 ? 34.379 -3.254 16.764 1.00 33.82 ? 357 LYS A O 1 ATOM 128 C CB . LYS A 1 16 ? 31.696 -4.736 15.767 1.00 31.87 ? 357 LYS A CB 1 ATOM 129 C CG . LYS A 1 16 ? 31.839 -3.398 15.086 1.00 30.78 ? 357 LYS A CG 1 ATOM 130 C CD . LYS A 1 16 ? 30.732 -3.109 14.095 1.00 29.36 ? 357 LYS A CD 1 ATOM 131 C CE . LYS A 1 16 ? 30.806 -1.636 13.693 1.00 30.50 ? 357 LYS A CE 1 ATOM 132 N NZ . LYS A 1 16 ? 29.922 -1.307 12.538 1.00 33.95 ? 357 LYS A NZ 1 ATOM 133 N N . CYS A 1 17 ? 33.128 -3.911 18.507 1.00 32.04 ? 358 CYS A N 1 ATOM 134 C CA . CYS A 1 17 ? 33.612 -2.845 19.373 1.00 31.63 ? 358 CYS A CA 1 ATOM 135 C C . CYS A 1 17 ? 35.085 -3.053 19.689 1.00 33.29 ? 358 CYS A C 1 ATOM 136 O O . CYS A 1 17 ? 35.859 -2.100 19.740 1.00 32.31 ? 358 CYS A O 1 ATOM 137 C CB . CYS A 1 17 ? 32.812 -2.802 20.672 1.00 30.55 ? 358 CYS A CB 1 ATOM 138 S SG . CYS A 1 17 ? 33.195 -1.344 21.699 1.00 29.83 ? 358 CYS A SG 1 ATOM 139 N N . GLN A 1 18 ? 35.473 -4.305 19.911 1.00 34.73 ? 359 GLN A N 1 ATOM 140 C CA . GLN A 1 18 ? 36.867 -4.616 20.204 1.00 36.37 ? 359 GLN A CA 1 ATOM 141 C C . GLN A 1 18 ? 37.771 -4.204 19.046 1.00 36.34 ? 359 GLN A C 1 ATOM 142 O O . GLN A 1 18 ? 38.919 -3.814 19.258 1.00 34.65 ? 359 GLN A O 1 ATOM 143 C CB . GLN A 1 18 ? 37.020 -6.106 20.524 1.00 37.74 ? 359 GLN A CB 1 ATOM 144 C CG . GLN A 1 18 ? 36.882 -6.406 22.016 1.00 43.45 ? 359 GLN A CG 1 ATOM 145 C CD . GLN A 1 18 ? 36.774 -7.888 22.327 1.00 45.52 ? 359 GLN A CD 1 ATOM 146 O OE1 . GLN A 1 18 ? 37.123 -8.734 21.507 1.00 48.94 ? 359 GLN A OE1 1 ATOM 147 N NE2 . GLN A 1 18 ? 36.300 -8.206 23.529 1.00 46.43 ? 359 GLN A NE2 1 ATOM 148 N N . GLN A 1 19 ? 37.246 -4.289 17.825 1.00 38.04 ? 360 GLN A N 1 ATOM 149 C CA . GLN A 1 19 ? 37.994 -3.884 16.639 1.00 39.53 ? 360 GLN A CA 1 ATOM 150 C C . GLN A 1 19 ? 38.161 -2.363 16.657 1.00 39.17 ? 360 GLN A C 1 ATOM 151 O O . GLN A 1 19 ? 39.255 -1.847 16.425 1.00 38.53 ? 360 GLN A O 1 ATOM 152 C CB . GLN A 1 19 ? 37.256 -4.312 15.363 1.00 42.46 ? 360 GLN A CB 1 ATOM 153 C CG . GLN A 1 19 ? 37.525 -5.745 14.893 1.00 46.26 ? 360 GLN A CG 1 ATOM 154 C CD . GLN A 1 19 ? 36.769 -6.091 13.611 1.00 50.10 ? 360 GLN A CD 1 ATOM 155 O OE1 . GLN A 1 19 ? 36.287 -5.202 12.901 1.00 52.62 ? 360 GLN A OE1 1 ATOM 156 N NE2 . GLN A 1 19 ? 36.674 -7.389 13.306 1.00 50.66 ? 360 GLN A NE2 1 ATOM 157 N N . TRP A 1 20 ? 37.064 -1.656 16.930 1.00 38.15 ? 361 TRP A N 1 ATOM 158 C CA . TRP A 1 20 ? 37.057 -0.194 17.003 1.00 36.62 ? 361 TRP A CA 1 ATOM 159 C C . TRP A 1 20 ? 38.057 0.238 18.060 1.00 36.52 ? 361 TRP A C 1 ATOM 160 O O . TRP A 1 20 ? 38.858 1.139 17.835 1.00 36.33 ? 361 TRP A O 1 ATOM 161 C CB . TRP A 1 20 ? 35.645 0.311 17.372 1.00 34.19 ? 361 TRP A CB 1 ATOM 162 C CG . TRP A 1 20 ? 35.477 1.819 17.492 1.00 33.81 ? 361 TRP A CG 1 ATOM 163 C CD1 . TRP A 1 20 ? 36.353 2.784 17.080 1.00 33.33 ? 361 TRP A CD1 1 ATOM 164 C CD2 . TRP A 1 20 ? 34.326 2.517 18.000 1.00 32.98 ? 361 TRP A CD2 1 ATOM 165 N NE1 . TRP A 1 20 ? 35.820 4.035 17.295 1.00 32.45 ? 361 TRP A NE1 1 ATOM 166 C CE2 . TRP A 1 20 ? 34.578 3.900 17.861 1.00 33.51 ? 361 TRP A CE2 1 ATOM 167 C CE3 . TRP A 1 20 ? 33.104 2.105 18.557 1.00 31.92 ? 361 TRP A CE3 1 ATOM 168 C CZ2 . TRP A 1 20 ? 33.654 4.882 18.264 1.00 31.43 ? 361 TRP A CZ2 1 ATOM 169 C CZ3 . TRP A 1 20 ? 32.185 3.079 18.956 1.00 32.95 ? 361 TRP A CZ3 1 ATOM 170 C CH2 . TRP A 1 20 ? 32.469 4.453 18.806 1.00 32.01 ? 361 TRP A CH2 1 ATOM 171 N N . SER A 1 21 ? 38.002 -0.424 19.211 1.00 36.69 ? 362 SER A N 1 ATOM 172 C CA . SER A 1 21 ? 38.885 -0.132 20.333 1.00 38.85 ? 362 SER A CA 1 ATOM 173 C C . SER A 1 21 ? 40.352 -0.215 19.931 1.00 40.72 ? 362 SER A C 1 ATOM 174 O O . SER A 1 21 ? 41.121 0.720 20.153 1.00 40.99 ? 362 SER A O 1 ATOM 175 C CB . SER A 1 21 ? 38.603 -1.104 21.482 1.00 37.99 ? 362 SER A CB 1 ATOM 176 O OG . SER A 1 21 ? 39.346 -0.758 22.639 1.00 35.85 ? 362 SER A OG 1 ATOM 177 N N . GLN A 1 22 ? 40.731 -1.334 19.326 1.00 43.26 ? 363 GLN A N 1 ATOM 178 C CA . GLN A 1 22 ? 42.105 -1.542 18.885 1.00 45.98 ? 363 GLN A CA 1 ATOM 179 C C . GLN A 1 22 ? 42.562 -0.497 17.869 1.00 45.61 ? 363 GLN A C 1 ATOM 180 O O . GLN A 1 22 ? 43.684 -0.005 17.952 1.00 46.79 ? 363 GLN A O 1 ATOM 181 C CB . GLN A 1 22 ? 42.242 -2.965 18.326 1.00 49.04 ? 363 GLN A CB 1 ATOM 182 C CG . GLN A 1 22 ? 43.302 -3.177 17.261 1.00 54.54 ? 363 GLN A CG 1 ATOM 183 C CD . GLN A 1 22 ? 43.592 -4.654 17.045 1.00 58.52 ? 363 GLN A CD 1 ATOM 184 O OE1 . GLN A 1 22 ? 42.748 -5.513 17.329 1.00 61.30 ? 363 GLN A OE1 1 ATOM 185 N NE2 . GLN A 1 22 ? 44.786 -4.958 16.538 1.00 58.95 ? 363 GLN A NE2 1 ATOM 186 N N . GLN A 1 23 ? 41.697 -0.157 16.919 1.00 45.14 ? 364 GLN A N 1 ATOM 187 C CA . GLN A 1 23 ? 42.018 0.836 15.893 1.00 45.08 ? 364 GLN A CA 1 ATOM 188 C C . GLN A 1 23 ? 42.053 2.263 16.429 1.00 44.25 ? 364 GLN A C 1 ATOM 189 O O . GLN A 1 23 ? 42.628 3.153 15.805 1.00 44.07 ? 364 GLN A O 1 ATOM 190 C CB . GLN A 1 23 ? 40.991 0.773 14.753 1.00 46.68 ? 364 GLN A CB 1 ATOM 191 C CG . GLN A 1 23 ? 41.088 -0.456 13.877 1.00 49.74 ? 364 GLN A CG 1 ATOM 192 C CD . GLN A 1 23 ? 42.367 -0.487 13.062 1.00 51.54 ? 364 GLN A CD 1 ATOM 193 O OE1 . GLN A 1 23 ? 42.410 -0.012 11.923 1.00 53.73 ? 364 GLN A OE1 1 ATOM 194 N NE2 . GLN A 1 23 ? 43.427 -1.033 13.652 1.00 52.82 ? 364 GLN A NE2 1 ATOM 195 N N . SER A 1 24 ? 41.440 2.479 17.587 1.00 42.90 ? 365 SER A N 1 ATOM 196 C CA . SER A 1 24 ? 41.372 3.812 18.163 1.00 42.45 ? 365 SER A CA 1 ATOM 197 C C . SER A 1 24 ? 42.498 4.172 19.121 1.00 43.38 ? 365 SER A C 1 ATOM 198 O O . SER A 1 24 ? 42.498 5.265 19.686 1.00 43.69 ? 365 SER A O 1 ATOM 199 C CB . SER A 1 24 ? 40.024 4.004 18.870 1.00 41.70 ? 365 SER A CB 1 ATOM 200 O OG . SER A 1 24 ? 39.960 3.272 20.086 1.00 38.76 ? 365 SER A OG 1 ATOM 201 N N . GLY A 1 25 ? 43.460 3.275 19.306 1.00 44.09 ? 366 GLY A N 1 ATOM 202 C CA . GLY A 1 25 ? 44.541 3.573 20.228 1.00 45.82 ? 366 GLY A CA 1 ATOM 203 C C . GLY A 1 25 ? 43.963 3.514 21.626 1.00 47.42 ? 366 GLY A C 1 ATOM 204 O O . GLY A 1 25 ? 44.442 4.162 22.566 1.00 48.41 ? 366 GLY A O 1 ATOM 205 N N . GLN A 1 26 ? 42.930 2.689 21.754 1.00 47.57 ? 367 GLN A N 1 ATOM 206 C CA . GLN A 1 26 ? 42.205 2.494 22.999 1.00 47.38 ? 367 GLN A CA 1 ATOM 207 C C . GLN A 1 26 ? 41.608 3.779 23.491 1.00 45.37 ? 367 GLN A C 1 ATOM 208 O O . GLN A 1 26 ? 41.531 4.025 24.692 1.00 46.86 ? 367 GLN A O 1 ATOM 209 C CB . GLN A 1 26 ? 43.092 1.888 24.084 1.00 48.80 ? 367 GLN A CB 1 ATOM 210 C CG . GLN A 1 26 ? 43.263 0.388 23.941 1.00 52.48 ? 367 GLN A CG 1 ATOM 211 C CD . GLN A 1 26 ? 43.760 -0.267 25.212 1.00 55.46 ? 367 GLN A CD 1 ATOM 212 O OE1 . GLN A 1 26 ? 42.972 -0.627 26.097 1.00 57.57 ? 367 GLN A OE1 1 ATOM 213 N NE2 . GLN A 1 26 ? 45.077 -0.417 25.318 1.00 57.33 ? 367 GLN A NE2 1 ATOM 214 N N . ASN A 1 27 ? 41.155 4.606 22.554 1.00 44.36 ? 368 ASN A N 1 ATOM 215 C CA . ASN A 1 27 ? 40.442 5.830 22.894 1.00 43.79 ? 368 ASN A CA 1 ATOM 216 C C . ASN A 1 27 ? 38.998 5.510 23.261 1.00 42.56 ? 368 ASN A C 1 ATOM 217 O O . ASN A 1 27 ? 38.377 6.206 24.065 1.00 42.06 ? 368 ASN A O 1 ATOM 218 C CB . ASN A 1 27 ? 40.487 6.821 21.731 1.00 46.73 ? 368 ASN A CB 1 ATOM 219 C CG . ASN A 1 27 ? 41.703 7.725 21.782 1.00 49.25 ? 368 ASN A CG 1 ATOM 220 O OD1 . ASN A 1 27 ? 42.431 7.749 22.774 1.00 47.19 ? 368 ASN A OD1 1 ATOM 221 N ND2 . ASN A 1 27 ? 41.929 8.475 20.710 1.00 52.07 ? 368 ASN A ND2 1 ATOM 222 N N . VAL A 1 28 ? 38.503 4.480 22.645 1.00 41.58 ? 369 VAL A N 1 ATOM 223 C CA . VAL A 1 28 ? 37.242 3.932 22.956 1.00 39.35 ? 369 VAL A CA 1 ATOM 224 C C . VAL A 1 28 ? 37.588 2.576 23.484 1.00 37.66 ? 369 VAL A C 1 ATOM 225 O O . VAL A 1 28 ? 38.417 1.953 22.959 1.00 36.94 ? 369 VAL A O 1 ATOM 226 C CB . VAL A 1 28 ? 36.391 3.817 21.684 1.00 40.58 ? 369 VAL A CB 1 ATOM 227 C CG1 . VAL A 1 28 ? 35.159 3.078 21.958 1.00 39.95 ? 369 VAL A CG1 1 ATOM 228 C CG2 . VAL A 1 28 ? 36.053 5.177 21.146 1.00 40.19 ? 369 VAL A CG2 1 ATOM 229 N N . THR A 1 29 ? 37.005 2.169 24.578 1.00 36.63 ? 370 THR A N 1 ATOM 230 C CA . THR A 1 29 ? 37.130 0.798 25.054 1.00 35.11 ? 370 THR A CA 1 ATOM 231 C C . THR A 1 29 ? 35.709 0.241 25.155 1.00 34.86 ? 370 THR A C 1 ATOM 232 O O . THR A 1 29 ? 34.738 0.982 24.986 1.00 32.21 ? 370 THR A O 1 ATOM 233 C CB . THR A 1 29 ? 37.866 0.682 26.410 1.00 35.76 ? 370 THR A CB 1 ATOM 234 O OG1 . THR A 1 29 ? 37.195 1.465 27.399 1.00 35.11 ? 370 THR A OG1 1 ATOM 235 C CG2 . THR A 1 29 ? 39.316 1.133 26.275 1.00 35.86 ? 370 THR A CG2 1 ATOM 236 N N . CYS A 1 30 ? 35.574 -1.049 25.445 1.00 34.85 ? 371 CYS A N 1 ATOM 237 C CA . CYS A 1 30 ? 34.252 -1.657 25.472 1.00 34.21 ? 371 CYS A CA 1 ATOM 238 C C . CYS A 1 30 ? 33.767 -2.363 26.727 1.00 33.77 ? 371 CYS A C 1 ATOM 239 O O . CYS A 1 30 ? 34.528 -2.978 27.469 1.00 35.54 ? 371 CYS A O 1 ATOM 240 C CB . CYS A 1 30 ? 34.132 -2.634 24.302 1.00 31.96 ? 371 CYS A CB 1 ATOM 241 S SG . CYS A 1 30 ? 34.813 -1.965 22.762 1.00 31.84 ? 371 CYS A SG 1 ATOM 242 N N . ALA A 1 31 ? 32.462 -2.254 26.931 1.00 32.11 ? 372 ALA A N 1 ATOM 243 C CA . ALA A 1 31 ? 31.762 -2.899 28.020 1.00 30.98 ? 372 ALA A CA 1 ATOM 244 C C . ALA A 1 31 ? 30.679 -3.662 27.265 1.00 30.82 ? 372 ALA A C 1 ATOM 245 O O . ALA A 1 31 ? 30.202 -3.200 26.226 1.00 31.25 ? 372 ALA A O 1 ATOM 246 C CB . ALA A 1 31 ? 31.153 -1.870 28.936 1.00 29.60 ? 372 ALA A CB 1 ATOM 247 N N . THR A 1 32 ? 30.291 -4.824 27.765 1.00 30.21 ? 373 THR A N 1 ATOM 248 C CA . THR A 1 32 ? 29.285 -5.618 27.085 1.00 30.47 ? 373 THR A CA 1 ATOM 249 C C . THR A 1 32 ? 28.148 -6.015 28.016 1.00 29.23 ? 373 THR A C 1 ATOM 250 O O . THR A 1 32 ? 28.337 -6.144 29.222 1.00 29.51 ? 373 THR A O 1 ATOM 251 C CB . THR A 1 32 ? 29.928 -6.872 26.479 1.00 29.82 ? 373 THR A CB 1 ATOM 252 O OG1 . THR A 1 32 ? 31.023 -6.475 25.656 1.00 32.37 ? 373 THR A OG1 1 ATOM 253 C CG2 . THR A 1 32 ? 28.951 -7.625 25.616 1.00 32.65 ? 373 THR A CG2 1 ATOM 254 N N . ALA A 1 33 ? 26.959 -6.179 27.446 1.00 28.54 ? 374 ALA A N 1 ATOM 255 C CA . ALA A 1 33 ? 25.777 -6.567 28.206 1.00 28.24 ? 374 ALA A CA 1 ATOM 256 C C . ALA A 1 33 ? 24.886 -7.401 27.288 1.00 27.83 ? 374 ALA A C 1 ATOM 257 O O . ALA A 1 33 ? 25.024 -7.339 26.065 1.00 26.85 ? 374 ALA A O 1 ATOM 258 C CB . ALA A 1 33 ? 25.034 -5.324 28.688 1.00 25.57 ? 374 ALA A CB 1 ATOM 259 N N . SER A 1 34 ? 23.978 -8.179 27.872 1.00 26.32 ? 375 SER A N 1 ATOM 260 C CA . SER A 1 34 ? 23.093 -9.031 27.085 1.00 26.80 ? 375 SER A CA 1 ATOM 261 C C . SER A 1 34 ? 21.912 -8.307 26.465 1.00 26.47 ? 375 SER A C 1 ATOM 262 O O . SER A 1 34 ? 21.353 -8.772 25.476 1.00 28.18 ? 375 SER A O 1 ATOM 263 C CB . SER A 1 34 ? 22.585 -10.198 27.934 1.00 25.83 ? 375 SER A CB 1 ATOM 264 O OG . SER A 1 34 ? 23.636 -11.111 28.195 1.00 31.56 ? 375 SER A OG 1 ATOM 265 N N . THR A 1 35 ? 21.527 -7.173 27.035 1.00 25.26 ? 376 THR A N 1 ATOM 266 C CA . THR A 1 35 ? 20.405 -6.425 26.491 1.00 24.52 ? 376 THR A CA 1 ATOM 267 C C . THR A 1 35 ? 20.653 -4.933 26.531 1.00 26.39 ? 376 THR A C 1 ATOM 268 O O . THR A 1 35 ? 21.579 -4.458 27.201 1.00 27.87 ? 376 THR A O 1 ATOM 269 C CB . THR A 1 35 ? 19.100 -6.721 27.252 1.00 24.49 ? 376 THR A CB 1 ATOM 270 O OG1 . THR A 1 35 ? 19.130 -6.075 28.527 1.00 24.70 ? 376 THR A OG1 1 ATOM 271 C CG2 . THR A 1 35 ? 18.937 -8.227 27.460 1.00 21.50 ? 376 THR A CG2 1 ATOM 272 N N . THR A 1 36 ? 19.822 -4.199 25.799 1.00 25.09 ? 377 THR A N 1 ATOM 273 C CA . THR A 1 36 ? 19.934 -2.759 25.732 1.00 24.48 ? 377 THR A CA 1 ATOM 274 C C . THR A 1 36 ? 19.635 -2.159 27.094 1.00 25.28 ? 377 THR A C 1 ATOM 275 O O . THR A 1 36 ? 20.324 -1.232 27.524 1.00 23.48 ? 377 THR A O 1 ATOM 276 C CB . THR A 1 36 ? 18.984 -2.196 24.672 1.00 24.24 ? 377 THR A CB 1 ATOM 277 O OG1 . THR A 1 36 ? 19.385 -2.684 23.387 1.00 23.48 ? 377 THR A OG1 1 ATOM 278 C CG2 . THR A 1 36 ? 19.022 -0.682 24.661 1.00 24.44 ? 377 THR A CG2 1 ATOM 279 N N . ASP A 1 37 ? 18.631 -2.697 27.786 1.00 24.75 ? 378 ASP A N 1 ATOM 280 C CA . ASP A 1 37 ? 18.293 -2.182 29.106 1.00 24.98 ? 378 ASP A CA 1 ATOM 281 C C . ASP A 1 37 ? 19.472 -2.328 30.054 1.00 24.78 ? 378 ASP A C 1 ATOM 282 O O . ASP A 1 37 ? 19.730 -1.442 30.864 1.00 25.42 ? 378 ASP A O 1 ATOM 283 C CB . ASP A 1 37 ? 17.065 -2.890 29.685 1.00 26.37 ? 378 ASP A CB 1 ATOM 284 C CG . ASP A 1 37 ? 15.776 -2.459 29.016 1.00 26.26 ? 378 ASP A CG 1 ATOM 285 O OD1 . ASP A 1 37 ? 15.661 -1.285 28.610 1.00 31.39 ? 378 ASP A OD1 1 ATOM 286 O OD2 . ASP A 1 37 ? 14.864 -3.293 28.913 1.00 31.47 ? 378 ASP A OD2 1 ATOM 287 N N . ASP A 1 38 ? 20.185 -3.444 29.957 1.00 21.47 ? 379 ASP A N 1 ATOM 288 C CA . ASP A 1 38 ? 21.345 -3.666 30.804 1.00 22.53 ? 379 ASP A CA 1 ATOM 289 C C . ASP A 1 38 ? 22.419 -2.645 30.509 1.00 22.45 ? 379 ASP A C 1 ATOM 290 O O . ASP A 1 38 ? 23.080 -2.159 31.413 1.00 22.86 ? 379 ASP A O 1 ATOM 291 C CB . ASP A 1 38 ? 21.900 -5.070 30.595 1.00 22.65 ? 379 ASP A CB 1 ATOM 292 C CG . ASP A 1 38 ? 21.107 -6.116 31.335 1.00 25.36 ? 379 ASP A CG 1 ATOM 293 O OD1 . ASP A 1 38 ? 21.359 -7.310 31.124 1.00 28.47 ? 379 ASP A OD1 1 ATOM 294 O OD2 . ASP A 1 38 ? 20.232 -5.748 32.139 1.00 28.21 ? 379 ASP A OD2 1 ATOM 295 N N . CYS A 1 39 ? 22.602 -2.334 29.233 1.00 23.34 ? 380 CYS A N 1 ATOM 296 C CA . CYS A 1 39 ? 23.591 -1.342 28.847 1.00 24.16 ? 380 CYS A CA 1 ATOM 297 C C . CYS A 1 39 ? 23.235 0.019 29.423 1.00 24.30 ? 380 CYS A C 1 ATOM 298 O O . CYS A 1 39 ? 24.116 0.759 29.849 1.00 27.20 ? 380 CYS A O 1 ATOM 299 C CB . CYS A 1 39 ? 23.695 -1.243 27.331 1.00 24.52 ? 380 CYS A CB 1 ATOM 300 S SG . CYS A 1 39 ? 25.081 -2.189 26.620 1.00 24.88 ? 380 CYS A SG 1 ATOM 301 N N . ILE A 1 40 ? 21.945 0.343 29.435 1.00 24.83 ? 381 ILE A N 1 ATOM 302 C CA . ILE A 1 40 ? 21.472 1.610 29.976 1.00 25.97 ? 381 ILE A CA 1 ATOM 303 C C . ILE A 1 40 ? 21.800 1.654 31.460 1.00 26.03 ? 381 ILE A C 1 ATOM 304 O O . ILE A 1 40 ? 22.195 2.693 31.994 1.00 25.60 ? 381 ILE A O 1 ATOM 305 C CB . ILE A 1 40 ? 19.945 1.772 29.767 1.00 27.41 ? 381 ILE A CB 1 ATOM 306 C CG1 . ILE A 1 40 ? 19.647 1.997 28.275 1.00 29.18 ? 381 ILE A CG1 1 ATOM 307 C CG2 . ILE A 1 40 ? 19.426 2.924 30.625 1.00 27.70 ? 381 ILE A CG2 1 ATOM 308 C CD1 . ILE A 1 40 ? 18.176 2.056 27.914 1.00 28.11 ? 381 ILE A CD1 1 ATOM 309 N N . VAL A 1 41 ? 21.645 0.516 32.128 1.00 25.20 ? 382 VAL A N 1 ATOM 310 C CA . VAL A 1 41 ? 21.954 0.447 33.543 1.00 23.40 ? 382 VAL A CA 1 ATOM 311 C C . VAL A 1 41 ? 23.459 0.625 33.748 1.00 23.13 ? 382 VAL A C 1 ATOM 312 O O . VAL A 1 41 ? 23.882 1.286 34.697 1.00 21.08 ? 382 VAL A O 1 ATOM 313 C CB . VAL A 1 41 ? 21.463 -0.893 34.171 1.00 22.79 ? 382 VAL A CB 1 ATOM 314 C CG1 . VAL A 1 41 ? 22.171 -1.148 35.482 1.00 19.43 ? 382 VAL A CG1 1 ATOM 315 C CG2 . VAL A 1 41 ? 19.953 -0.818 34.430 1.00 21.03 ? 382 VAL A CG2 1 ATOM 316 N N . LEU A 1 42 ? 24.268 0.065 32.853 1.00 21.39 ? 383 LEU A N 1 ATOM 317 C CA . LEU A 1 42 ? 25.713 0.218 32.994 1.00 23.78 ? 383 LEU A CA 1 ATOM 318 C C . LEU A 1 42 ? 26.097 1.685 32.861 1.00 23.51 ? 383 LEU A C 1 ATOM 319 O O . LEU A 1 42 ? 27.014 2.153 33.537 1.00 23.70 ? 383 LEU A O 1 ATOM 320 C CB . LEU A 1 42 ? 26.483 -0.607 31.955 1.00 23.69 ? 383 LEU A CB 1 ATOM 321 C CG . LEU A 1 42 ? 26.574 -2.127 32.145 1.00 24.83 ? 383 LEU A CG 1 ATOM 322 C CD1 . LEU A 1 42 ? 27.546 -2.695 31.102 1.00 22.20 ? 383 LEU A CD1 1 ATOM 323 C CD2 . LEU A 1 42 ? 27.061 -2.440 33.557 1.00 24.06 ? 383 LEU A CD2 1 ATOM 324 N N . VAL A 1 43 ? 25.387 2.413 32.001 1.00 23.38 ? 384 VAL A N 1 ATOM 325 C CA . VAL A 1 43 ? 25.662 3.835 31.807 1.00 22.46 ? 384 VAL A CA 1 ATOM 326 C C . VAL A 1 43 ? 25.221 4.647 33.029 1.00 23.82 ? 384 VAL A C 1 ATOM 327 O O . VAL A 1 43 ? 25.906 5.583 33.442 1.00 22.93 ? 384 VAL A O 1 ATOM 328 C CB . VAL A 1 43 ? 24.955 4.373 30.532 1.00 23.75 ? 384 VAL A CB 1 ATOM 329 C CG1 . VAL A 1 43 ? 25.107 5.883 30.446 1.00 20.07 ? 384 VAL A CG1 1 ATOM 330 C CG2 . VAL A 1 43 ? 25.552 3.716 29.296 1.00 20.42 ? 384 VAL A CG2 1 ATOM 331 N N . LEU A 1 44 ? 24.082 4.283 33.608 1.00 24.84 ? 385 LEU A N 1 ATOM 332 C CA . LEU A 1 44 ? 23.590 4.973 34.795 1.00 25.84 ? 385 LEU A CA 1 ATOM 333 C C . LEU A 1 44 ? 24.561 4.800 35.958 1.00 27.31 ? 385 LEU A C 1 ATOM 334 O O . LEU A 1 44 ? 24.748 5.712 36.764 1.00 26.41 ? 385 LEU A O 1 ATOM 335 C CB . LEU A 1 44 ? 22.213 4.437 35.205 1.00 26.76 ? 385 LEU A CB 1 ATOM 336 C CG . LEU A 1 44 ? 20.998 4.896 34.396 1.00 27.97 ? 385 LEU A CG 1 ATOM 337 C CD1 . LEU A 1 44 ? 19.743 4.156 34.861 1.00 28.12 ? 385 LEU A CD1 1 ATOM 338 C CD2 . LEU A 1 44 ? 20.839 6.399 34.583 1.00 29.60 ? 385 LEU A CD2 1 ATOM 339 N N . LYS A 1 45 ? 25.170 3.622 36.047 1.00 27.81 ? 386 LYS A N 1 ATOM 340 C CA . LYS A 1 45 ? 26.117 3.348 37.120 1.00 27.82 ? 386 LYS A CA 1 ATOM 341 C C . LYS A 1 45 ? 27.458 4.024 36.882 1.00 28.15 ? 386 LYS A C 1 ATOM 342 O O . LYS A 1 45 ? 28.256 4.165 37.807 1.00 27.94 ? 386 LYS A O 1 ATOM 343 C CB . LYS A 1 45 ? 26.328 1.840 37.289 1.00 29.42 ? 386 LYS A CB 1 ATOM 344 C CG . LYS A 1 45 ? 25.105 1.121 37.816 1.00 30.37 ? 386 LYS A CG 1 ATOM 345 C CD . LYS A 1 45 ? 25.446 -0.272 38.303 1.00 32.66 ? 386 LYS A CD 1 ATOM 346 C CE . LYS A 1 45 ? 25.949 -1.164 37.183 1.00 33.44 ? 386 LYS A CE 1 ATOM 347 N NZ . LYS A 1 45 ? 26.211 -2.541 37.685 1.00 33.76 ? 386 LYS A NZ 1 ATOM 348 N N . GLY A 1 46 ? 27.700 4.433 35.638 1.00 26.81 ? 387 GLY A N 1 ATOM 349 C CA . GLY A 1 46 ? 28.946 5.094 35.305 1.00 26.50 ? 387 GLY A CA 1 ATOM 350 C C . GLY A 1 46 ? 30.036 4.138 34.875 1.00 27.40 ? 387 GLY A C 1 ATOM 351 O O . GLY A 1 46 ? 31.210 4.504 34.850 1.00 29.05 ? 387 GLY A O 1 ATOM 352 N N . GLU A 1 47 ? 29.655 2.913 34.528 1.00 27.21 ? 388 GLU A N 1 ATOM 353 C CA . GLU A 1 47 ? 30.621 1.903 34.106 1.00 26.44 ? 388 GLU A CA 1 ATOM 354 C C . GLU A 1 47 ? 30.822 1.879 32.590 1.00 25.52 ? 388 GLU A C 1 ATOM 355 O O . GLU A 1 47 ? 31.786 1.313 32.085 1.00 25.26 ? 388 GLU A O 1 ATOM 356 C CB . GLU A 1 47 ? 30.200 0.539 34.682 1.00 26.52 ? 388 GLU A CB 1 ATOM 357 C CG . GLU A 1 47 ? 30.399 0.530 36.200 1.00 27.77 ? 388 GLU A CG 1 ATOM 358 C CD . GLU A 1 47 ? 29.608 -0.531 36.950 1.00 31.02 ? 388 GLU A CD 1 ATOM 359 O OE1 . GLU A 1 47 ? 29.181 -0.227 38.087 1.00 34.57 ? 388 GLU A OE1 1 ATOM 360 O OE2 . GLU A 1 47 ? 29.421 -1.653 36.437 1.00 27.30 ? 388 GLU A OE2 1 ATOM 361 N N . ALA A 1 48 ? 29.909 2.523 31.879 1.00 24.83 ? 389 ALA A N 1 ATOM 362 C CA . ALA A 1 48 ? 29.982 2.660 30.430 1.00 23.77 ? 389 ALA A CA 1 ATOM 363 C C . ALA A 1 48 ? 29.586 4.128 30.212 1.00 23.56 ? 389 ALA A C 1 ATOM 364 O O . ALA A 1 48 ? 28.964 4.724 31.091 1.00 21.06 ? 389 ALA A O 1 ATOM 365 C CB . ALA A 1 48 ? 28.991 1.716 29.747 1.00 21.62 ? 389 ALA A CB 1 ATOM 366 N N . ASP A 1 49 ? 29.946 4.710 29.070 1.00 22.89 ? 390 ASP A N 1 ATOM 367 C CA . ASP A 1 49 ? 29.613 6.109 28.798 1.00 23.34 ? 390 ASP A CA 1 ATOM 368 C C . ASP A 1 49 ? 28.497 6.332 27.787 1.00 22.94 ? 390 ASP A C 1 ATOM 369 O O . ASP A 1 49 ? 27.690 7.255 27.935 1.00 23.90 ? 390 ASP A O 1 ATOM 370 C CB . ASP A 1 49 ? 30.840 6.884 28.298 1.00 25.68 ? 390 ASP A CB 1 ATOM 371 C CG . ASP A 1 49 ? 31.928 7.012 29.345 1.00 28.25 ? 390 ASP A CG 1 ATOM 372 O OD1 . ASP A 1 49 ? 31.646 7.553 30.433 1.00 31.01 ? 390 ASP A OD1 1 ATOM 373 O OD2 . ASP A 1 49 ? 33.066 6.577 29.071 1.00 28.91 ? 390 ASP A OD2 1 ATOM 374 N N . ALA A 1 50 ? 28.450 5.506 26.750 1.00 20.19 ? 391 ALA A N 1 ATOM 375 C CA . ALA A 1 50 ? 27.442 5.698 25.725 1.00 20.15 ? 391 ALA A CA 1 ATOM 376 C C . ALA A 1 50 ? 27.120 4.468 24.883 1.00 19.76 ? 391 ALA A C 1 ATOM 377 O O . ALA A 1 50 ? 27.726 3.408 25.018 1.00 21.61 ? 391 ALA A O 1 ATOM 378 C CB . ALA A 1 50 ? 27.880 6.844 24.802 1.00 18.21 ? 391 ALA A CB 1 ATOM 379 N N . LEU A 1 51 ? 26.119 4.649 24.031 1.00 20.89 ? 392 LEU A N 1 ATOM 380 C CA . LEU A 1 51 ? 25.651 3.649 23.084 1.00 22.28 ? 392 LEU A CA 1 ATOM 381 C C . LEU A 1 51 ? 24.572 4.312 22.245 1.00 23.22 ? 392 LEU A C 1 ATOM 382 O O . LEU A 1 51 ? 23.935 5.282 22.683 1.00 22.62 ? 392 LEU A O 1 ATOM 383 C CB . LEU A 1 51 ? 25.088 2.384 23.776 1.00 23.08 ? 392 LEU A CB 1 ATOM 384 C CG . LEU A 1 51 ? 23.635 2.259 24.264 1.00 25.56 ? 392 LEU A CG 1 ATOM 385 C CD1 . LEU A 1 51 ? 23.253 0.762 24.374 1.00 25.23 ? 392 LEU A CD1 1 ATOM 386 C CD2 . LEU A 1 51 ? 23.471 2.962 25.625 1.00 24.36 ? 392 LEU A CD2 1 ATOM 387 N N . ASN A 1 52 ? 24.406 3.787 21.033 1.00 22.39 ? 393 ASN A N 1 ATOM 388 C CA . ASN A 1 52 ? 23.433 4.250 20.055 1.00 22.98 ? 393 ASN A CA 1 ATOM 389 C C . ASN A 1 52 ? 22.119 3.495 20.305 1.00 22.32 ? 393 ASN A C 1 ATOM 390 O O . ASN A 1 52 ? 22.113 2.265 20.351 1.00 19.90 ? 393 ASN A O 1 ATOM 391 C CB . ASN A 1 52 ? 23.979 3.951 18.655 1.00 27.20 ? 393 ASN A CB 1 ATOM 392 C CG . ASN A 1 52 ? 23.188 4.620 17.556 1.00 26.60 ? 393 ASN A CG 1 ATOM 393 O OD1 . ASN A 1 52 ? 22.756 5.767 17.695 1.00 28.62 ? 393 ASN A OD1 1 ATOM 394 N ND2 . ASN A 1 52 ? 23.017 3.915 16.438 1.00 29.14 ? 393 ASN A ND2 1 ATOM 395 N N . LEU A 1 53 ? 21.018 4.236 20.454 1.00 22.99 ? 394 LEU A N 1 ATOM 396 C CA . LEU A 1 53 ? 19.704 3.656 20.746 1.00 22.73 ? 394 LEU A CA 1 ATOM 397 C C . LEU A 1 53 ? 18.563 4.013 19.807 1.00 21.84 ? 394 LEU A C 1 ATOM 398 O O . LEU A 1 53 ? 18.495 5.116 19.267 1.00 20.57 ? 394 LEU A O 1 ATOM 399 C CB . LEU A 1 53 ? 19.237 4.068 22.146 1.00 24.97 ? 394 LEU A CB 1 ATOM 400 C CG . LEU A 1 53 ? 20.033 3.785 23.421 1.00 24.42 ? 394 LEU A CG 1 ATOM 401 C CD1 . LEU A 1 53 ? 19.284 4.405 24.600 1.00 24.62 ? 394 LEU A CD1 1 ATOM 402 C CD2 . LEU A 1 53 ? 20.205 2.287 23.622 1.00 22.72 ? 394 LEU A CD2 1 ATOM 403 N N . ASP A 1 54 ? 17.647 3.062 19.656 1.00 22.22 ? 395 ASP A N 1 ATOM 404 C CA . ASP A 1 54 ? 16.442 3.252 18.865 1.00 20.13 ? 395 ASP A CA 1 ATOM 405 C C . ASP A 1 54 ? 15.623 4.232 19.711 1.00 19.55 ? 395 ASP A C 1 ATOM 406 O O . ASP A 1 54 ? 15.850 4.347 20.909 1.00 21.24 ? 395 ASP A O 1 ATOM 407 C CB . ASP A 1 54 ? 15.686 1.928 18.741 1.00 16.46 ? 395 ASP A CB 1 ATOM 408 C CG . ASP A 1 54 ? 14.271 2.108 18.233 1.00 17.23 ? 395 ASP A CG 1 ATOM 409 O OD1 . ASP A 1 54 ? 14.086 2.417 17.039 1.00 15.72 ? 395 ASP A OD1 1 ATOM 410 O OD2 . ASP A 1 54 ? 13.337 1.954 19.042 1.00 17.88 ? 395 ASP A OD2 1 ATOM 411 N N . GLY A 1 55 ? 14.659 4.912 19.100 1.00 21.03 ? 396 GLY A N 1 ATOM 412 C CA . GLY A 1 55 ? 13.855 5.876 19.828 1.00 19.32 ? 396 GLY A CA 1 ATOM 413 C C . GLY A 1 55 ? 13.066 5.330 20.995 1.00 20.92 ? 396 GLY A C 1 ATOM 414 O O . GLY A 1 55 ? 12.828 6.040 21.973 1.00 22.61 ? 396 GLY A O 1 ATOM 415 N N . GLY A 1 56 ? 12.602 4.116 20.924 1.00 22.39 ? 397 GLY A N 1 ATOM 416 C CA . GLY A 1 56 ? 11.895 3.522 22.018 1.00 21.51 ? 397 GLY A CA 1 ATOM 417 C C . GLY A 1 56 ? 12.739 3.377 23.265 1.00 22.58 ? 397 GLY A C 1 ATOM 418 O O . GLY A 1 56 ? 12.275 3.524 24.352 1.00 24.11 ? 397 GLY A O 1 ATOM 419 N N . TYR A 1 57 ? 13.998 3.052 23.084 1.00 22.01 ? 398 TYR A N 1 ATOM 420 C CA . TYR A 1 57 ? 14.893 2.915 24.224 1.00 23.28 ? 398 TYR A CA 1 ATOM 421 C C . TYR A 1 57 ? 15.307 4.292 24.739 1.00 24.84 ? 398 TYR A C 1 ATOM 422 O O . TYR A 1 57 ? 15.566 4.461 25.937 1.00 25.45 ? 398 TYR A O 1 ATOM 423 C CB . TYR A 1 57 ? 16.141 2.111 23.848 1.00 24.06 ? 398 TYR A CB 1 ATOM 424 C CG . TYR A 1 57 ? 15.899 0.668 23.426 1.00 26.91 ? 398 TYR A CG 1 ATOM 425 C CD1 . TYR A 1 57 ? 15.161 -0.203 24.224 1.00 25.17 ? 398 TYR A CD1 1 ATOM 426 C CD2 . TYR A 1 57 ? 16.470 0.160 22.254 1.00 25.66 ? 398 TYR A CD2 1 ATOM 427 C CE1 . TYR A 1 57 ? 14.998 -1.548 23.871 1.00 25.39 ? 398 TYR A CE1 1 ATOM 428 C CE2 . TYR A 1 57 ? 16.318 -1.180 21.897 1.00 27.16 ? 398 TYR A CE2 1 ATOM 429 C CZ . TYR A 1 57 ? 15.582 -2.023 22.709 1.00 27.38 ? 398 TYR A CZ 1 ATOM 430 O OH . TYR A 1 57 ? 15.447 -3.344 22.350 1.00 32.22 ? 398 TYR A OH 1 ATOM 431 N N . ILE A 1 58 ? 15.373 5.270 23.835 1.00 24.63 ? 399 ILE A N 1 ATOM 432 C CA . ILE A 1 58 ? 15.740 6.626 24.222 1.00 24.73 ? 399 ILE A CA 1 ATOM 433 C C . ILE A 1 58 ? 14.723 7.120 25.225 1.00 26.51 ? 399 ILE A C 1 ATOM 434 O O . ILE A 1 58 ? 15.038 7.912 26.104 1.00 27.58 ? 399 ILE A O 1 ATOM 435 C CB . ILE A 1 58 ? 15.751 7.579 23.017 1.00 25.70 ? 399 ILE A CB 1 ATOM 436 C CG1 . ILE A 1 58 ? 17.019 7.337 22.189 1.00 22.13 ? 399 ILE A CG1 1 ATOM 437 C CG2 . ILE A 1 58 ? 15.622 9.027 23.497 1.00 22.86 ? 399 ILE A CG2 1 ATOM 438 C CD1 . ILE A 1 58 ? 17.137 8.208 20.969 1.00 19.97 ? 399 ILE A CD1 1 ATOM 439 N N . TYR A 1 59 ? 13.499 6.627 25.095 1.00 27.31 ? 400 TYR A N 1 ATOM 440 C CA . TYR A 1 59 ? 12.426 7.004 26.003 1.00 29.59 ? 400 TYR A CA 1 ATOM 441 C C . TYR A 1 59 ? 12.729 6.417 27.385 1.00 30.14 ? 400 TYR A C 1 ATOM 442 O O . TYR A 1 59 ? 12.554 7.088 28.406 1.00 29.57 ? 400 TYR A O 1 ATOM 443 C CB . TYR A 1 59 ? 11.094 6.475 25.468 1.00 30.22 ? 400 TYR A CB 1 ATOM 444 C CG . TYR A 1 59 ? 9.919 6.667 26.391 1.00 31.48 ? 400 TYR A CG 1 ATOM 445 C CD1 . TYR A 1 59 ? 9.191 7.857 26.403 1.00 33.12 ? 400 TYR A CD1 1 ATOM 446 C CD2 . TYR A 1 59 ? 9.539 5.655 27.259 1.00 33.70 ? 400 TYR A CD2 1 ATOM 447 C CE1 . TYR A 1 59 ? 8.102 8.026 27.269 1.00 35.90 ? 400 TYR A CE1 1 ATOM 448 C CE2 . TYR A 1 59 ? 8.465 5.804 28.125 1.00 36.62 ? 400 TYR A CE2 1 ATOM 449 C CZ . TYR A 1 59 ? 7.748 6.989 28.128 1.00 38.22 ? 400 TYR A CZ 1 ATOM 450 O OH . TYR A 1 59 ? 6.687 7.118 28.994 1.00 41.47 ? 400 TYR A OH 1 ATOM 451 N N . THR A 1 60 ? 13.186 5.165 27.414 1.00 31.19 ? 401 THR A N 1 ATOM 452 C CA . THR A 1 60 ? 13.531 4.512 28.677 1.00 30.71 ? 401 THR A CA 1 ATOM 453 C C . THR A 1 60 ? 14.724 5.220 29.317 1.00 30.33 ? 401 THR A C 1 ATOM 454 O O . THR A 1 60 ? 14.714 5.529 30.506 1.00 30.68 ? 401 THR A O 1 ATOM 455 C CB . THR A 1 60 ? 13.915 3.019 28.487 1.00 31.26 ? 401 THR A CB 1 ATOM 456 O OG1 . THR A 1 60 ? 12.790 2.296 27.974 1.00 34.81 ? 401 THR A OG1 1 ATOM 457 C CG2 . THR A 1 60 ? 14.325 2.398 29.819 1.00 28.88 ? 401 THR A CG2 1 ATOM 458 N N . ALA A 1 61 ? 15.747 5.481 28.512 1.00 28.23 ? 402 ALA A N 1 ATOM 459 C CA . ALA A 1 61 ? 16.956 6.141 28.982 1.00 28.27 ? 402 ALA A CA 1 ATOM 460 C C . ALA A 1 61 ? 16.704 7.574 29.448 1.00 29.76 ? 402 ALA A C 1 ATOM 461 O O . ALA A 1 61 ? 17.273 8.018 30.447 1.00 28.70 ? 402 ALA A O 1 ATOM 462 C CB . ALA A 1 61 ? 18.003 6.130 27.878 1.00 25.28 ? 402 ALA A CB 1 ATOM 463 N N . GLY A 1 62 ? 15.837 8.286 28.733 1.00 29.41 ? 403 GLY A N 1 ATOM 464 C CA . GLY A 1 62 ? 15.541 9.663 29.080 1.00 28.90 ? 403 GLY A CA 1 ATOM 465 C C . GLY A 1 62 ? 14.882 9.822 30.427 1.00 29.02 ? 403 GLY A C 1 ATOM 466 O O . GLY A 1 62 ? 15.160 10.780 31.146 1.00 28.10 ? 403 GLY A O 1 ATOM 467 N N . LYS A 1 63 ? 13.996 8.895 30.766 1.00 30.06 ? 404 LYS A N 1 ATOM 468 C CA . LYS A 1 63 ? 13.309 8.949 32.050 1.00 31.74 ? 404 LYS A CA 1 ATOM 469 C C . LYS A 1 63 ? 14.288 8.749 33.195 1.00 31.52 ? 404 LYS A C 1 ATOM 470 O O . LYS A 1 63 ? 14.033 9.157 34.324 1.00 33.11 ? 404 LYS A O 1 ATOM 471 C CB . LYS A 1 63 ? 12.219 7.880 32.115 1.00 34.72 ? 404 LYS A CB 1 ATOM 472 C CG . LYS A 1 63 ? 11.097 8.084 31.122 1.00 36.38 ? 404 LYS A CG 1 ATOM 473 C CD . LYS A 1 63 ? 9.768 7.918 31.830 1.00 41.51 ? 404 LYS A CD 1 ATOM 474 C CE . LYS A 1 63 ? 8.763 8.997 31.432 1.00 45.19 ? 404 LYS A CE 1 ATOM 475 N NZ . LYS A 1 63 ? 7.371 8.571 31.780 1.00 48.81 ? 404 LYS A NZ 1 ATOM 476 N N . CYS A 1 64 ? 15.411 8.114 32.887 1.00 31.61 ? 405 CYS A N 1 ATOM 477 C CA . CYS A 1 64 ? 16.433 7.854 33.884 1.00 30.06 ? 405 CYS A CA 1 ATOM 478 C C . CYS A 1 64 ? 17.533 8.909 33.866 1.00 27.86 ? 405 CYS A C 1 ATOM 479 O O . CYS A 1 64 ? 18.591 8.714 34.454 1.00 27.40 ? 405 CYS A O 1 ATOM 480 C CB . CYS A 1 64 ? 17.043 6.465 33.668 1.00 34.22 ? 405 CYS A CB 1 ATOM 481 S SG . CYS A 1 64 ? 15.850 5.102 33.857 1.00 40.52 ? 405 CYS A SG 1 ATOM 482 N N . GLY A 1 65 ? 17.294 10.012 33.165 1.00 27.30 ? 406 GLY A N 1 ATOM 483 C CA . GLY A 1 65 ? 18.268 11.087 33.122 1.00 26.37 ? 406 GLY A CA 1 ATOM 484 C C . GLY A 1 65 ? 19.337 11.069 32.053 1.00 27.38 ? 406 GLY A C 1 ATOM 485 O O . GLY A 1 65 ? 20.218 11.925 32.080 1.00 31.47 ? 406 GLY A O 1 ATOM 486 N N . LEU A 1 66 ? 19.322 10.147 31.120 1.00 27.20 ? 407 LEU A N 1 ATOM 487 C CA . LEU A 1 66 ? 20.276 10.104 30.034 1.00 26.93 ? 407 LEU A CA 1 ATOM 488 C C . LEU A 1 66 ? 19.861 11.019 28.903 1.00 27.26 ? 407 LEU A C 1 ATOM 489 O O . LEU A 1 66 ? 18.732 11.203 28.670 1.00 29.37 ? 407 LEU A O 1 ATOM 490 C CB . LEU A 1 66 ? 20.463 8.682 29.522 1.00 28.02 ? 407 LEU A CB 1 ATOM 491 C CG . LEU A 1 66 ? 20.988 7.600 30.451 1.00 26.79 ? 407 LEU A CG 1 ATOM 492 C CD1 . LEU A 1 66 ? 21.220 6.396 29.733 1.00 26.97 ? 407 LEU A CD1 1 ATOM 493 C CD2 . LEU A 1 66 ? 22.225 8.032 31.096 1.00 25.98 ? 407 LEU A CD2 1 ATOM 494 N N . VAL A 1 67 ? 20.795 11.577 28.197 1.00 27.04 ? 408 VAL A N 1 ATOM 495 C CA . VAL A 1 67 ? 20.439 12.519 27.136 1.00 27.84 ? 408 VAL A CA 1 ATOM 496 C C . VAL A 1 67 ? 20.971 12.244 25.729 1.00 27.03 ? 408 VAL A C 1 ATOM 497 O O . VAL A 1 67 ? 22.022 11.635 25.558 1.00 26.44 ? 408 VAL A O 1 ATOM 498 C CB . VAL A 1 67 ? 20.880 13.961 27.522 1.00 27.62 ? 408 VAL A CB 1 ATOM 499 C CG1 . VAL A 1 67 ? 20.114 14.423 28.751 1.00 28.43 ? 408 VAL A CG1 1 ATOM 500 C CG2 . VAL A 1 67 ? 22.389 13.995 27.797 1.00 26.89 ? 408 VAL A CG2 1 ATOM 501 N N . PRO A 1 68 ? 20.227 12.680 24.699 1.00 25.73 ? 409 PRO A N 1 ATOM 502 C CA . PRO A 1 68 ? 20.671 12.477 23.317 1.00 25.94 ? 409 PRO A CA 1 ATOM 503 C C . PRO A 1 68 ? 21.864 13.408 23.085 1.00 26.72 ? 409 PRO A C 1 ATOM 504 O O . PRO A 1 68 ? 21.863 14.560 23.522 1.00 26.38 ? 409 PRO A O 1 ATOM 505 C CB . PRO A 1 68 ? 19.434 12.841 22.498 1.00 25.48 ? 409 PRO A CB 1 ATOM 506 C CG . PRO A 1 68 ? 18.727 13.817 23.378 1.00 28.18 ? 409 PRO A CG 1 ATOM 507 C CD . PRO A 1 68 ? 18.850 13.197 24.736 1.00 27.09 ? 409 PRO A CD 1 ATOM 508 N N . VAL A 1 69 ? 22.876 12.894 22.397 1.00 27.69 ? 410 VAL A N 1 ATOM 509 C CA . VAL A 1 69 ? 24.111 13.619 22.152 1.00 28.44 ? 410 VAL A CA 1 ATOM 510 C C . VAL A 1 69 ? 24.367 13.906 20.679 1.00 30.31 ? 410 VAL A C 1 ATOM 511 O O . VAL A 1 69 ? 24.723 15.018 20.310 1.00 31.93 ? 410 VAL A O 1 ATOM 512 C CB . VAL A 1 69 ? 25.291 12.796 22.723 1.00 28.87 ? 410 VAL A CB 1 ATOM 513 C CG1 . VAL A 1 69 ? 26.601 13.514 22.497 1.00 27.81 ? 410 VAL A CG1 1 ATOM 514 C CG2 . VAL A 1 69 ? 25.053 12.531 24.205 1.00 29.33 ? 410 VAL A CG2 1 ATOM 515 N N . LEU A 1 70 ? 24.206 12.878 19.854 1.00 30.83 ? 411 LEU A N 1 ATOM 516 C CA . LEU A 1 70 ? 24.411 12.964 18.412 1.00 30.21 ? 411 LEU A CA 1 ATOM 517 C C . LEU A 1 70 ? 23.435 11.975 17.796 1.00 30.21 ? 411 LEU A C 1 ATOM 518 O O . LEU A 1 70 ? 23.152 10.932 18.395 1.00 27.93 ? 411 LEU A O 1 ATOM 519 C CB . LEU A 1 70 ? 25.852 12.566 18.056 1.00 31.10 ? 411 LEU A CB 1 ATOM 520 C CG . LEU A 1 70 ? 26.973 13.535 18.461 1.00 31.17 ? 411 LEU A CG 1 ATOM 521 C CD1 . LEU A 1 70 ? 28.314 12.814 18.423 1.00 29.92 ? 411 LEU A CD1 1 ATOM 522 C CD2 . LEU A 1 70 ? 26.989 14.739 17.528 1.00 29.47 ? 411 LEU A CD2 1 ATOM 523 N N . ALA A 1 71 ? 22.920 12.291 16.612 1.00 28.89 ? 412 ALA A N 1 ATOM 524 C CA . ALA A 1 71 ? 21.967 11.403 15.949 1.00 29.79 ? 412 ALA A CA 1 ATOM 525 C C . ALA A 1 71 ? 22.463 10.843 14.620 1.00 31.11 ? 412 ALA A C 1 ATOM 526 O O . ALA A 1 71 ? 23.272 11.477 13.937 1.00 31.63 ? 412 ALA A O 1 ATOM 527 C CB . ALA A 1 71 ? 20.645 12.143 15.734 1.00 28.96 ? 412 ALA A CB 1 ATOM 528 N N . GLU A 1 72 ? 21.990 9.646 14.263 1.00 31.82 ? 413 GLU A N 1 ATOM 529 C CA . GLU A 1 72 ? 22.356 9.023 12.989 1.00 33.00 ? 413 GLU A CA 1 ATOM 530 C C . GLU A 1 72 ? 21.692 9.832 11.878 1.00 34.79 ? 413 GLU A C 1 ATOM 531 O O . GLU A 1 72 ? 20.562 10.307 12.023 1.00 33.90 ? 413 GLU A O 1 ATOM 532 C CB . GLU A 1 72 ? 21.826 7.587 12.855 1.00 30.37 ? 413 GLU A CB 1 ATOM 533 C CG . GLU A 1 72 ? 22.330 6.536 13.807 1.00 28.73 ? 413 GLU A CG 1 ATOM 534 C CD . GLU A 1 72 ? 21.866 5.142 13.382 1.00 29.70 ? 413 GLU A CD 1 ATOM 535 O OE1 . GLU A 1 72 ? 20.825 5.042 12.696 1.00 28.09 ? 413 GLU A OE1 1 ATOM 536 O OE2 . GLU A 1 72 ? 22.527 4.139 13.727 1.00 29.51 ? 413 GLU A OE2 1 ATOM 537 N N . ASN A 1 73 ? 22.381 10.023 10.787 1.00 38.35 ? 414 ASN A N 1 ATOM 538 C CA . ASN A 1 73 ? 21.830 10.687 9.645 1.00 44.14 ? 414 ASN A CA 1 ATOM 539 C C . ASN A 1 73 ? 22.174 9.879 8.438 1.00 48.64 ? 414 ASN A C 1 ATOM 540 O O . ASN A 1 73 ? 23.292 9.563 8.257 1.00 48.91 ? 414 ASN A O 1 ATOM 541 C CB . ASN A 1 73 ? 22.422 12.068 9.512 1.00 44.50 ? 414 ASN A CB 1 ATOM 542 C CG . ASN A 1 73 ? 21.398 13.125 9.225 1.00 44.32 ? 414 ASN A CG 1 ATOM 543 O OD1 . ASN A 1 73 ? 20.233 12.866 9.149 1.00 46.52 ? 414 ASN A OD1 1 ATOM 544 N ND2 . ASN A 1 73 ? 21.846 14.324 9.091 1.00 45.07 ? 414 ASN A ND2 1 ATOM 545 N N . ARG A 1 74 ? 21.188 9.517 7.635 1.00 54.88 ? 415 ARG A N 1 ATOM 546 C CA . ARG A 1 74 ? 21.407 8.786 6.377 1.00 60.54 ? 415 ARG A CA 1 ATOM 547 C C . ARG A 1 74 ? 21.404 9.705 5.157 1.00 63.27 ? 415 ARG A C 1 ATOM 548 O O . ARG A 1 74 ? 21.347 10.908 5.286 1.00 63.68 ? 415 ARG A O 1 ATOM 549 C CB . ARG A 1 74 ? 20.427 7.623 6.206 1.00 61.40 ? 415 ARG A CB 1 ATOM 550 C CG . ARG A 1 74 ? 19.018 8.027 6.263 1.00 64.54 ? 415 ARG A CG 1 ATOM 551 C CD . ARG A 1 74 ? 18.089 7.152 5.500 1.00 68.32 ? 415 ARG A CD 1 ATOM 552 N NE . ARG A 1 74 ? 16.705 7.419 5.908 1.00 71.25 ? 415 ARG A NE 1 ATOM 553 C CZ . ARG A 1 74 ? 16.329 8.313 6.826 1.00 71.89 ? 415 ARG A CZ 1 ATOM 554 N NH1 . ARG A 1 74 ? 16.708 8.197 8.073 1.00 71.96 ? 415 ARG A NH1 1 ATOM 555 N NH2 . ARG A 1 74 ? 15.568 9.326 6.492 1.00 72.46 ? 415 ARG A NH2 1 ATOM 556 N N . LYS A 1 75 ? 21.476 9.132 3.968 1.00 67.10 ? 416 LYS A N 1 ATOM 557 C CA . LYS A 1 75 ? 21.420 9.919 2.731 1.00 71.23 ? 416 LYS A CA 1 ATOM 558 C C . LYS A 1 75 ? 20.067 10.664 2.456 1.00 74.09 ? 416 LYS A C 1 ATOM 559 O O . LYS A 1 75 ? 19.012 10.189 2.830 1.00 74.99 ? 416 LYS A O 1 ATOM 560 C CB . LYS A 1 75 ? 21.764 9.008 1.584 1.00 71.26 ? 416 LYS A CB 1 ATOM 561 C CG . LYS A 1 75 ? 22.578 7.797 2.012 1.00 73.05 ? 416 LYS A CG 1 ATOM 562 C CD . LYS A 1 75 ? 24.022 8.152 2.334 1.00 73.88 ? 416 LYS A CD 1 ATOM 563 C CE . LYS A 1 75 ? 24.934 6.983 2.206 1.00 74.50 ? 416 LYS A CE 1 ATOM 564 N NZ . LYS A 1 75 ? 25.329 6.777 0.814 1.00 74.97 ? 416 LYS A NZ 1 ATOM 565 N N . SER A 1 76 ? 20.163 11.843 1.846 1.00 77.06 ? 417 SER A N 1 ATOM 566 C CA . SER A 1 76 ? 19.006 12.678 1.522 1.00 80.21 ? 417 SER A CA 1 ATOM 567 C C . SER A 1 76 ? 19.314 13.476 0.258 1.00 82.61 ? 417 SER A C 1 ATOM 568 O O . SER A 1 76 ? 20.483 13.634 -0.095 1.00 83.66 ? 417 SER A O 1 ATOM 569 C CB . SER A 1 76 ? 18.680 13.622 2.679 1.00 80.17 ? 417 SER A CB 1 ATOM 570 O OG . SER A 1 76 ? 17.777 14.636 2.272 1.00 79.63 ? 417 SER A OG 1 ATOM 571 N N . SER A 1 77 ? 18.292 13.976 -0.435 1.00 84.39 ? 418 SER A N 1 ATOM 572 C CA . SER A 1 77 ? 18.570 14.715 -1.658 1.00 86.34 ? 418 SER A CA 1 ATOM 573 C C . SER A 1 77 ? 18.140 16.173 -1.524 1.00 87.58 ? 418 SER A C 1 ATOM 574 O O . SER A 1 77 ? 17.681 16.801 -2.480 1.00 87.65 ? 418 SER A O 1 ATOM 575 C CB . SER A 1 77 ? 17.927 14.029 -2.873 1.00 86.59 ? 418 SER A CB 1 ATOM 576 O OG . SER A 1 77 ? 16.648 13.499 -2.570 1.00 86.92 ? 418 SER A OG 1 ATOM 577 N N . LYS A 1 78 ? 18.224 16.623 -0.286 1.00 88.68 ? 419 LYS A N 1 ATOM 578 C CA . LYS A 1 78 ? 17.965 17.981 0.109 1.00 89.33 ? 419 LYS A CA 1 ATOM 579 C C . LYS A 1 78 ? 18.915 18.317 1.277 1.00 89.84 ? 419 LYS A C 1 ATOM 580 O O . LYS A 1 78 ? 19.418 17.425 1.948 1.00 89.85 ? 419 LYS A O 1 ATOM 581 C CB . LYS A 1 78 ? 16.495 18.129 0.487 1.00 88.91 ? 419 LYS A CB 1 ATOM 582 C CG . LYS A 1 78 ? 15.541 17.497 -0.517 1.00 88.94 ? 419 LYS A CG 1 ATOM 583 C CD . LYS A 1 78 ? 14.991 18.524 -1.497 1.00 89.30 ? 419 LYS A CD 1 ATOM 584 C CE . LYS A 1 78 ? 13.668 18.092 -2.153 1.00 89.48 ? 419 LYS A CE 1 ATOM 585 N NZ . LYS A 1 78 ? 13.421 18.803 -3.450 1.00 89.66 ? 419 LYS A NZ 1 ATOM 586 N N . HIS A 1 79 ? 19.216 19.599 1.454 1.00 90.09 ? 420 HIS A N 1 ATOM 587 C CA . HIS A 1 79 ? 19.999 20.106 2.576 1.00 89.75 ? 420 HIS A CA 1 ATOM 588 C C . HIS A 1 79 ? 21.452 19.908 2.396 1.00 88.82 ? 420 HIS A C 1 ATOM 589 O O . HIS A 1 79 ? 22.226 20.318 3.224 1.00 88.54 ? 420 HIS A O 1 ATOM 590 C CB . HIS A 1 79 ? 19.631 19.398 3.861 1.00 90.59 ? 420 HIS A CB 1 ATOM 591 C CG . HIS A 1 79 ? 18.401 19.929 4.494 1.00 91.81 ? 420 HIS A CG 1 ATOM 592 N ND1 . HIS A 1 79 ? 17.268 19.172 4.651 1.00 92.13 ? 420 HIS A ND1 1 ATOM 593 C CD2 . HIS A 1 79 ? 18.112 21.154 4.978 1.00 92.26 ? 420 HIS A CD2 1 ATOM 594 C CE1 . HIS A 1 79 ? 16.334 19.904 5.225 1.00 93.00 ? 420 HIS A CE1 1 ATOM 595 N NE2 . HIS A 1 79 ? 16.820 21.112 5.432 1.00 93.11 ? 420 HIS A NE2 1 ATOM 596 N N . SER A 1 80 ? 21.793 19.377 1.229 1.00 87.93 ? 421 SER A N 1 ATOM 597 C CA . SER A 1 80 ? 23.103 18.841 0.813 1.00 86.97 ? 421 SER A CA 1 ATOM 598 C C . SER A 1 80 ? 24.268 19.798 0.809 1.00 85.67 ? 421 SER A C 1 ATOM 599 O O . SER A 1 80 ? 25.418 19.429 0.921 1.00 85.26 ? 421 SER A O 1 ATOM 600 C CB . SER A 1 80 ? 22.990 18.287 -0.597 1.00 87.38 ? 421 SER A CB 1 ATOM 601 O OG . SER A 1 80 ? 22.811 19.358 -1.514 1.00 87.87 ? 421 SER A OG 1 ATOM 602 N N . SER A 1 81 ? 23.980 21.037 0.559 1.00 84.23 ? 422 SER A N 1 ATOM 603 C CA . SER A 1 81 ? 25.039 22.026 0.547 1.00 82.86 ? 422 SER A CA 1 ATOM 604 C C . SER A 1 81 ? 25.581 22.029 1.965 1.00 81.28 ? 422 SER A C 1 ATOM 605 O O . SER A 1 81 ? 26.787 22.152 2.180 1.00 81.57 ? 422 SER A O 1 ATOM 606 C CB . SER A 1 81 ? 24.492 23.404 0.179 1.00 83.39 ? 422 SER A CB 1 ATOM 607 O OG . SER A 1 81 ? 23.510 23.827 1.109 1.00 84.07 ? 422 SER A OG 1 ATOM 608 N N . LEU A 1 82 ? 24.684 21.881 2.933 1.00 78.94 ? 423 LEU A N 1 ATOM 609 C CA . LEU A 1 82 ? 25.085 21.779 4.324 1.00 76.25 ? 423 LEU A CA 1 ATOM 610 C C . LEU A 1 82 ? 25.754 20.415 4.541 1.00 73.78 ? 423 LEU A C 1 ATOM 611 O O . LEU A 1 82 ? 25.291 19.387 4.027 1.00 73.32 ? 423 LEU A O 1 ATOM 612 C CB . LEU A 1 82 ? 23.856 21.895 5.232 1.00 76.67 ? 423 LEU A CB 1 ATOM 613 C CG . LEU A 1 82 ? 23.231 23.271 5.477 1.00 76.91 ? 423 LEU A CG 1 ATOM 614 C CD1 . LEU A 1 82 ? 21.857 23.123 6.134 1.00 77.41 ? 423 LEU A CD1 1 ATOM 615 C CD2 . LEU A 1 82 ? 24.170 24.077 6.360 1.00 77.18 ? 423 LEU A CD2 1 ATOM 616 N N . ASP A 1 83 ? 26.834 20.412 5.317 1.00 70.62 ? 424 ASP A N 1 ATOM 617 C CA . ASP A 1 83 ? 27.580 19.190 5.607 1.00 66.74 ? 424 ASP A CA 1 ATOM 618 C C . ASP A 1 83 ? 26.765 18.240 6.484 1.00 62.72 ? 424 ASP A C 1 ATOM 619 O O . ASP A 1 83 ? 25.951 18.679 7.299 1.00 62.20 ? 424 ASP A O 1 ATOM 620 C CB . ASP A 1 83 ? 28.895 19.531 6.309 1.00 68.95 ? 424 ASP A CB 1 ATOM 621 C CG . ASP A 1 83 ? 29.873 18.372 6.305 1.00 71.21 ? 424 ASP A CG 1 ATOM 622 O OD1 . ASP A 1 83 ? 30.826 18.401 5.498 1.00 73.08 ? 424 ASP A OD1 1 ATOM 623 O OD2 . ASP A 1 83 ? 29.686 17.425 7.098 1.00 73.22 ? 424 ASP A OD2 1 ATOM 624 N N . CYS A 1 84 ? 27.006 16.941 6.327 1.00 57.74 ? 425 CYS A N 1 ATOM 625 C CA . CYS A 1 84 ? 26.287 15.910 7.075 1.00 53.46 ? 425 CYS A CA 1 ATOM 626 C C . CYS A 1 84 ? 26.165 16.135 8.582 1.00 52.81 ? 425 CYS A C 1 ATOM 627 O O . CYS A 1 84 ? 25.087 15.972 9.152 1.00 52.67 ? 425 CYS A O 1 ATOM 628 C CB . CYS A 1 84 ? 26.925 14.541 6.833 1.00 50.25 ? 425 CYS A CB 1 ATOM 629 S SG . CYS A 1 84 ? 25.932 13.174 7.512 1.00 46.50 ? 425 CYS A SG 1 ATOM 630 N N . VAL A 1 85 ? 27.266 16.498 9.229 1.00 51.92 ? 426 VAL A N 1 ATOM 631 C CA . VAL A 1 85 ? 27.265 16.722 10.669 1.00 52.25 ? 426 VAL A CA 1 ATOM 632 C C . VAL A 1 85 ? 26.365 17.878 11.119 1.00 52.60 ? 426 VAL A C 1 ATOM 633 O O . VAL A 1 85 ? 25.902 17.901 12.259 1.00 51.78 ? 426 VAL A O 1 ATOM 634 C CB . VAL A 1 85 ? 28.706 16.968 11.179 1.00 52.72 ? 426 VAL A CB 1 ATOM 635 C CG1 . VAL A 1 85 ? 28.697 17.213 12.680 1.00 53.07 ? 426 VAL A CG1 1 ATOM 636 C CG2 . VAL A 1 85 ? 29.585 15.768 10.844 1.00 52.22 ? 426 VAL A CG2 1 ATOM 637 N N . LEU A 1 86 ? 26.105 18.823 10.221 1.00 53.42 ? 427 LEU A N 1 ATOM 638 C CA . LEU A 1 86 ? 25.271 19.983 10.539 1.00 54.78 ? 427 LEU A CA 1 ATOM 639 C C . LEU A 1 86 ? 23.809 19.858 10.102 1.00 55.26 ? 427 LEU A C 1 ATOM 640 O O . LEU A 1 86 ? 22.945 20.594 10.575 1.00 55.80 ? 427 LEU A O 1 ATOM 641 C CB . LEU A 1 86 ? 25.861 21.246 9.901 1.00 54.89 ? 427 LEU A CB 1 ATOM 642 C CG . LEU A 1 86 ? 27.114 21.845 10.535 1.00 55.16 ? 427 LEU A CG 1 ATOM 643 C CD1 . LEU A 1 86 ? 27.551 23.079 9.750 1.00 54.80 ? 427 LEU A CD1 1 ATOM 644 C CD2 . LEU A 1 86 ? 26.807 22.210 11.981 1.00 55.39 ? 427 LEU A CD2 1 ATOM 645 N N . ARG A 1 87 ? 23.546 18.918 9.205 1.00 55.78 ? 428 ARG A N 1 ATOM 646 C CA . ARG A 1 87 ? 22.217 18.697 8.651 1.00 55.85 ? 428 ARG A CA 1 ATOM 647 C C . ARG A 1 87 ? 21.167 18.120 9.596 1.00 54.14 ? 428 ARG A C 1 ATOM 648 O O . ARG A 1 87 ? 21.442 17.202 10.366 1.00 53.22 ? 428 ARG A O 1 ATOM 649 C CB . ARG A 1 87 ? 22.342 17.777 7.437 1.00 57.83 ? 428 ARG A CB 1 ATOM 650 C CG . ARG A 1 87 ? 21.027 17.389 6.777 1.00 60.64 ? 428 ARG A CG 1 ATOM 651 C CD . ARG A 1 87 ? 21.219 16.122 5.970 1.00 61.55 ? 428 ARG A CD 1 ATOM 652 N NE . ARG A 1 87 ? 22.455 16.190 5.199 1.00 63.64 ? 428 ARG A NE 1 ATOM 653 C CZ . ARG A 1 87 ? 23.171 15.133 4.833 1.00 63.80 ? 428 ARG A CZ 1 ATOM 654 N NH1 . ARG A 1 87 ? 22.774 13.913 5.168 1.00 64.72 ? 428 ARG A NH1 1 ATOM 655 N NH2 . ARG A 1 87 ? 24.286 15.303 4.137 1.00 63.91 ? 428 ARG A NH2 1 ATOM 656 N N . PRO A 1 88 ? 19.941 18.665 9.554 1.00 53.88 ? 429 PRO A N 1 ATOM 657 C CA . PRO A 1 88 ? 18.874 18.153 10.419 1.00 52.51 ? 429 PRO A CA 1 ATOM 658 C C . PRO A 1 88 ? 18.561 16.686 10.065 1.00 51.33 ? 429 PRO A C 1 ATOM 659 O O . PRO A 1 88 ? 18.850 16.230 8.954 1.00 49.10 ? 429 PRO A O 1 ATOM 660 C CB . PRO A 1 88 ? 17.703 19.112 10.140 1.00 52.10 ? 429 PRO A CB 1 ATOM 661 C CG . PRO A 1 88 ? 18.068 19.767 8.807 1.00 52.83 ? 429 PRO A CG 1 ATOM 662 C CD . PRO A 1 88 ? 19.543 19.934 8.921 1.00 53.04 ? 429 PRO A CD 1 ATOM 663 N N . THR A 1 89 ? 17.989 15.948 11.010 1.00 50.55 ? 430 THR A N 1 ATOM 664 C CA . THR A 1 89 ? 17.657 14.550 10.763 1.00 50.30 ? 430 THR A CA 1 ATOM 665 C C . THR A 1 89 ? 16.236 14.419 10.210 1.00 50.38 ? 430 THR A C 1 ATOM 666 O O . THR A 1 89 ? 15.292 15.000 10.754 1.00 50.07 ? 430 THR A O 1 ATOM 667 C CB . THR A 1 89 ? 17.813 13.711 12.058 1.00 49.06 ? 430 THR A CB 1 ATOM 668 O OG1 . THR A 1 89 ? 16.895 14.180 13.048 1.00 49.20 ? 430 THR A OG1 1 ATOM 669 C CG2 . THR A 1 89 ? 19.231 13.821 12.603 1.00 48.84 ? 430 THR A CG2 1 ATOM 670 N N . GLU A 1 90 ? 16.092 13.650 9.132 1.00 50.81 ? 431 GLU A N 1 ATOM 671 C CA . GLU A 1 90 ? 14.800 13.454 8.473 1.00 51.45 ? 431 GLU A CA 1 ATOM 672 C C . GLU A 1 90 ? 13.857 12.458 9.143 1.00 49.37 ? 431 GLU A C 1 ATOM 673 O O . GLU A 1 90 ? 12.637 12.540 8.974 1.00 50.35 ? 431 GLU A O 1 ATOM 674 C CB . GLU A 1 90 ? 15.025 13.046 7.007 1.00 54.27 ? 431 GLU A CB 1 ATOM 675 C CG . GLU A 1 90 ? 14.780 14.184 6.021 1.00 58.96 ? 431 GLU A CG 1 ATOM 676 C CD . GLU A 1 90 ? 15.484 13.994 4.686 1.00 61.74 ? 431 GLU A CD 1 ATOM 677 O OE1 . GLU A 1 90 ? 15.176 13.010 3.975 1.00 62.74 ? 431 GLU A OE1 1 ATOM 678 O OE2 . GLU A 1 90 ? 16.346 14.839 4.346 1.00 62.97 ? 431 GLU A OE2 1 ATOM 679 N N . GLY A 1 91 ? 14.423 11.542 9.921 1.00 45.93 ? 432 GLY A N 1 ATOM 680 C CA . GLY A 1 91 ? 13.619 10.529 10.571 1.00 41.86 ? 432 GLY A CA 1 ATOM 681 C C . GLY A 1 91 ? 13.503 9.391 9.575 1.00 39.34 ? 432 GLY A C 1 ATOM 682 O O . GLY A 1 91 ? 13.995 9.505 8.452 1.00 39.34 ? 432 GLY A O 1 ATOM 683 N N . TYR A 1 92 ? 12.890 8.282 9.959 1.00 34.56 ? 433 TYR A N 1 ATOM 684 C CA . TYR A 1 92 ? 12.744 7.197 9.008 1.00 29.34 ? 433 TYR A CA 1 ATOM 685 C C . TYR A 1 92 ? 11.303 6.731 8.990 1.00 27.73 ? 433 TYR A C 1 ATOM 686 O O . TYR A 1 92 ? 10.522 7.084 9.881 1.00 25.66 ? 433 TYR A O 1 ATOM 687 C CB . TYR A 1 92 ? 13.734 6.051 9.308 1.00 28.71 ? 433 TYR A CB 1 ATOM 688 C CG . TYR A 1 92 ? 13.677 5.461 10.693 1.00 23.89 ? 433 TYR A CG 1 ATOM 689 C CD1 . TYR A 1 92 ? 12.803 4.420 10.998 1.00 23.61 ? 433 TYR A CD1 1 ATOM 690 C CD2 . TYR A 1 92 ? 14.520 5.929 11.698 1.00 23.88 ? 433 TYR A CD2 1 ATOM 691 C CE1 . TYR A 1 92 ? 12.772 3.856 12.271 1.00 22.00 ? 433 TYR A CE1 1 ATOM 692 C CE2 . TYR A 1 92 ? 14.499 5.377 12.970 1.00 22.62 ? 433 TYR A CE2 1 ATOM 693 C CZ . TYR A 1 92 ? 13.627 4.343 13.251 1.00 23.08 ? 433 TYR A CZ 1 ATOM 694 O OH . TYR A 1 92 ? 13.622 3.807 14.513 1.00 22.01 ? 433 TYR A OH 1 ATOM 695 N N . LEU A 1 93 ? 10.940 5.972 7.959 1.00 26.69 ? 434 LEU A N 1 ATOM 696 C CA . LEU A 1 93 ? 9.568 5.498 7.802 1.00 27.23 ? 434 LEU A CA 1 ATOM 697 C C . LEU A 1 93 ? 9.282 4.097 8.329 1.00 28.09 ? 434 LEU A C 1 ATOM 698 O O . LEU A 1 93 ? 9.823 3.104 7.830 1.00 30.80 ? 434 LEU A O 1 ATOM 699 C CB . LEU A 1 93 ? 9.158 5.558 6.324 1.00 27.52 ? 434 LEU A CB 1 ATOM 700 C CG . LEU A 1 93 ? 9.245 6.909 5.601 1.00 27.17 ? 434 LEU A CG 1 ATOM 701 C CD1 . LEU A 1 93 ? 8.771 6.734 4.166 1.00 25.27 ? 434 LEU A CD1 1 ATOM 702 C CD2 . LEU A 1 93 ? 8.399 7.949 6.314 1.00 24.12 ? 434 LEU A CD2 1 ATOM 703 N N . ALA A 1 94 ? 8.425 4.016 9.338 1.00 26.01 ? 435 ALA A N 1 ATOM 704 C CA . ALA A 1 94 ? 8.041 2.728 9.891 1.00 26.03 ? 435 ALA A CA 1 ATOM 705 C C . ALA A 1 94 ? 6.998 2.164 8.925 1.00 26.34 ? 435 ALA A C 1 ATOM 706 O O . ALA A 1 94 ? 6.081 2.879 8.512 1.00 26.02 ? 435 ALA A O 1 ATOM 707 C CB . ALA A 1 94 ? 7.435 2.913 11.276 1.00 24.26 ? 435 ALA A CB 1 ATOM 708 N N . VAL A 1 95 ? 7.133 0.895 8.555 1.00 26.27 ? 436 VAL A N 1 ATOM 709 C CA . VAL A 1 95 ? 6.184 0.294 7.621 1.00 25.84 ? 436 VAL A CA 1 ATOM 710 C C . VAL A 1 95 ? 5.829 -1.132 7.998 1.00 26.08 ? 436 VAL A C 1 ATOM 711 O O . VAL A 1 95 ? 6.514 -1.770 8.796 1.00 27.44 ? 436 VAL A O 1 ATOM 712 C CB . VAL A 1 95 ? 6.744 0.263 6.175 1.00 26.20 ? 436 VAL A CB 1 ATOM 713 C CG1 . VAL A 1 95 ? 7.045 1.684 5.697 1.00 26.43 ? 436 VAL A CG1 1 ATOM 714 C CG2 . VAL A 1 95 ? 8.000 -0.596 6.126 1.00 25.24 ? 436 VAL A CG2 1 ATOM 715 N N . ALA A 1 96 ? 4.737 -1.615 7.423 1.00 25.99 ? 437 ALA A N 1 ATOM 716 C CA . ALA A 1 96 ? 4.266 -2.972 7.641 1.00 24.93 ? 437 ALA A CA 1 ATOM 717 C C . ALA A 1 96 ? 4.460 -3.623 6.274 1.00 24.96 ? 437 ALA A C 1 ATOM 718 O O . ALA A 1 96 ? 3.940 -3.132 5.274 1.00 25.76 ? 437 ALA A O 1 ATOM 719 C CB . ALA A 1 96 ? 2.808 -2.955 8.028 1.00 24.36 ? 437 ALA A CB 1 ATOM 720 N N . VAL A 1 97 ? 5.215 -4.716 6.235 1.00 25.04 ? 438 VAL A N 1 ATOM 721 C CA . VAL A 1 97 ? 5.523 -5.414 4.991 1.00 24.88 ? 438 VAL A CA 1 ATOM 722 C C . VAL A 1 97 ? 4.954 -6.831 4.910 1.00 25.53 ? 438 VAL A C 1 ATOM 723 O O . VAL A 1 97 ? 5.023 -7.589 5.881 1.00 26.63 ? 438 VAL A O 1 ATOM 724 C CB . VAL A 1 97 ? 7.060 -5.521 4.816 1.00 24.91 ? 438 VAL A CB 1 ATOM 725 C CG1 . VAL A 1 97 ? 7.415 -5.830 3.366 1.00 22.17 ? 438 VAL A CG1 1 ATOM 726 C CG2 . VAL A 1 97 ? 7.725 -4.243 5.296 1.00 25.19 ? 438 VAL A CG2 1 ATOM 727 N N . VAL A 1 98 ? 4.397 -7.182 3.752 1.00 26.36 ? 439 VAL A N 1 ATOM 728 C CA . VAL A 1 98 ? 3.865 -8.530 3.523 1.00 26.14 ? 439 VAL A CA 1 ATOM 729 C C . VAL A 1 98 ? 4.359 -9.028 2.174 1.00 27.58 ? 439 VAL A C 1 ATOM 730 O O . VAL A 1 98 ? 4.916 -8.260 1.384 1.00 27.23 ? 439 VAL A O 1 ATOM 731 C CB . VAL A 1 98 ? 2.303 -8.582 3.486 1.00 25.45 ? 439 VAL A CB 1 ATOM 732 C CG1 . VAL A 1 98 ? 1.728 -8.088 4.799 1.00 22.56 ? 439 VAL A CG1 1 ATOM 733 C CG2 . VAL A 1 98 ? 1.772 -7.778 2.295 1.00 19.66 ? 439 VAL A CG2 1 ATOM 734 N N . LYS A 1 99 ? 4.169 -10.321 1.925 1.00 28.61 ? 440 LYS A N 1 ATOM 735 C CA . LYS A 1 99 ? 4.558 -10.928 0.659 1.00 28.33 ? 440 LYS A CA 1 ATOM 736 C C . LYS A 1 99 ? 3.423 -10.618 -0.285 1.00 28.39 ? 440 LYS A C 1 ATOM 737 O O . LYS A 1 99 ? 2.257 -10.617 0.123 1.00 28.41 ? 440 LYS A O 1 ATOM 738 C CB . LYS A 1 99 ? 4.677 -12.455 0.783 1.00 29.23 ? 440 LYS A CB 1 ATOM 739 C CG . LYS A 1 99 ? 5.940 -12.979 1.453 1.00 29.33 ? 440 LYS A CG 1 ATOM 740 C CD . LYS A 1 99 ? 7.177 -12.751 0.588 1.00 28.39 ? 440 LYS A CD 1 ATOM 741 C CE . LYS A 1 99 ? 8.417 -13.413 1.189 1.00 28.77 ? 440 LYS A CE 1 ATOM 742 N NZ . LYS A 1 99 ? 8.349 -14.915 1.227 1.00 26.58 ? 440 LYS A NZ 1 ATOM 743 N N . LYS A 1 100 ? 3.749 -10.352 -1.541 1.00 30.59 ? 441 LYS A N 1 ATOM 744 C CA . LYS A 1 100 ? 2.718 -10.080 -2.528 1.00 32.81 ? 441 LYS A CA 1 ATOM 745 C C . LYS A 1 100 ? 1.871 -11.347 -2.718 1.00 33.33 ? 441 LYS A C 1 ATOM 746 O O . LYS A 1 100 ? 0.645 -11.281 -2.811 1.00 31.73 ? 441 LYS A O 1 ATOM 747 C CB . LYS A 1 100 ? 3.365 -9.676 -3.846 1.00 34.75 ? 441 LYS A CB 1 ATOM 748 C CG . LYS A 1 100 ? 2.419 -9.624 -5.027 1.00 39.18 ? 441 LYS A CG 1 ATOM 749 C CD . LYS A 1 100 ? 3.155 -9.101 -6.247 1.00 41.27 ? 441 LYS A CD 1 ATOM 750 C CE . LYS A 1 100 ? 2.957 -10.000 -7.450 1.00 44.35 ? 441 LYS A CE 1 ATOM 751 N NZ . LYS A 1 100 ? 3.955 -9.643 -8.502 1.00 46.39 ? 441 LYS A NZ 1 ATOM 752 N N . ALA A 1 101 ? 2.541 -12.498 -2.766 1.00 33.82 ? 442 ALA A N 1 ATOM 753 C CA . ALA A 1 101 ? 1.879 -13.787 -2.942 1.00 34.87 ? 442 ALA A CA 1 ATOM 754 C C . ALA A 1 101 ? 0.805 -14.016 -1.887 1.00 36.14 ? 442 ALA A C 1 ATOM 755 O O . ALA A 1 101 ? -0.126 -14.790 -2.094 1.00 38.65 ? 442 ALA A O 1 ATOM 756 C CB . ALA A 1 101 ? 2.904 -14.898 -2.878 1.00 35.28 ? 442 ALA A CB 1 ATOM 757 N N . ASN A 1 102 ? 0.939 -13.340 -0.753 1.00 37.20 ? 443 ASN A N 1 ATOM 758 C CA . ASN A 1 102 ? -0.025 -13.464 0.337 1.00 38.29 ? 443 ASN A CA 1 ATOM 759 C C . ASN A 1 102 ? -1.162 -12.482 0.032 1.00 39.66 ? 443 ASN A C 1 ATOM 760 O O . ASN A 1 102 ? -1.404 -11.535 0.781 1.00 39.75 ? 443 ASN A O 1 ATOM 761 C CB . ASN A 1 102 ? 0.643 -13.085 1.661 1.00 39.51 ? 443 ASN A CB 1 ATOM 762 C CG . ASN A 1 102 ? 0.036 -13.801 2.849 1.00 40.58 ? 443 ASN A CG 1 ATOM 763 O OD1 . ASN A 1 102 ? -1.145 -14.152 2.845 1.00 39.62 ? 443 ASN A OD1 1 ATOM 764 N ND2 . ASN A 1 102 ? 0.842 -14.008 3.885 1.00 41.49 ? 443 ASN A ND2 1 ATOM 765 N N . GLU A 1 103 ? -1.850 -12.722 -1.080 1.00 41.13 ? 444 GLU A N 1 ATOM 766 C CA . GLU A 1 103 ? -2.985 -11.900 -1.500 1.00 40.94 ? 444 GLU A CA 1 ATOM 767 C C . GLU A 1 103 ? -4.083 -11.749 -0.459 1.00 40.60 ? 444 GLU A C 1 ATOM 768 O O . GLU A 1 103 ? -4.326 -12.646 0.342 1.00 40.60 ? 444 GLU A O 1 ATOM 769 C CB . GLU A 1 103 ? -3.613 -12.484 -2.760 1.00 40.69 ? 444 GLU A CB 1 ATOM 770 C CG . GLU A 1 103 ? -2.696 -12.514 -3.943 1.00 42.86 ? 444 GLU A CG 1 ATOM 771 C CD . GLU A 1 103 ? -3.200 -13.422 -5.035 1.00 45.64 ? 444 GLU A CD 1 ATOM 772 O OE1 . GLU A 1 103 ? -2.352 -14.133 -5.612 1.00 47.11 ? 444 GLU A OE1 1 ATOM 773 O OE2 . GLU A 1 103 ? -4.423 -13.427 -5.318 1.00 47.25 ? 444 GLU A OE2 1 ATOM 774 N N . GLY A 1 104 ? -4.751 -10.603 -0.488 1.00 40.46 ? 445 GLY A N 1 ATOM 775 C CA . GLY A 1 104 ? -5.847 -10.360 0.430 1.00 42.41 ? 445 GLY A CA 1 ATOM 776 C C . GLY A 1 104 ? -5.519 -10.069 1.882 1.00 42.94 ? 445 GLY A C 1 ATOM 777 O O . GLY A 1 104 ? -6.423 -9.974 2.709 1.00 44.38 ? 445 GLY A O 1 ATOM 778 N N . LEU A 1 105 ? -4.240 -9.946 2.216 1.00 42.41 ? 446 LEU A N 1 ATOM 779 C CA . LEU A 1 105 ? -3.875 -9.620 3.587 1.00 40.00 ? 446 LEU A CA 1 ATOM 780 C C . LEU A 1 105 ? -3.710 -8.108 3.631 1.00 38.91 ? 446 LEU A C 1 ATOM 781 O O . LEU A 1 105 ? -2.914 -7.545 2.881 1.00 38.56 ? 446 LEU A O 1 ATOM 782 C CB . LEU A 1 105 ? -2.568 -10.325 3.989 1.00 40.00 ? 446 LEU A CB 1 ATOM 783 C CG . LEU A 1 105 ? -1.939 -10.033 5.356 1.00 38.18 ? 446 LEU A CG 1 ATOM 784 C CD1 . LEU A 1 105 ? -3.015 -9.953 6.418 1.00 37.20 ? 446 LEU A CD1 1 ATOM 785 C CD2 . LEU A 1 105 ? -0.919 -11.125 5.693 1.00 40.02 ? 446 LEU A CD2 1 ATOM 786 N N . THR A 1 106 ? -4.477 -7.449 4.493 1.00 36.74 ? 447 THR A N 1 ATOM 787 C CA . THR A 1 106 ? -4.392 -5.996 4.610 1.00 36.49 ? 447 THR A CA 1 ATOM 788 C C . THR A 1 106 ? -4.284 -5.622 6.069 1.00 36.13 ? 447 THR A C 1 ATOM 789 O O . THR A 1 106 ? -4.236 -6.494 6.934 1.00 34.89 ? 447 THR A O 1 ATOM 790 C CB . THR A 1 106 ? -5.653 -5.286 4.055 1.00 36.57 ? 447 THR A CB 1 ATOM 791 O OG1 . THR A 1 106 ? -6.764 -5.533 4.936 1.00 35.64 ? 447 THR A OG1 1 ATOM 792 C CG2 . THR A 1 106 ? -5.981 -5.787 2.659 1.00 34.12 ? 447 THR A CG2 1 ATOM 793 N N . TRP A 1 107 ? -4.252 -4.321 6.341 1.00 36.17 ? 448 TRP A N 1 ATOM 794 C CA . TRP A 1 107 ? -4.176 -3.863 7.716 1.00 36.07 ? 448 TRP A CA 1 ATOM 795 C C . TRP A 1 107 ? -5.442 -4.293 8.442 1.00 36.08 ? 448 TRP A C 1 ATOM 796 O O . TRP A 1 107 ? -5.431 -4.503 9.654 1.00 35.35 ? 448 TRP A O 1 ATOM 797 C CB . TRP A 1 107 ? -4.034 -2.335 7.780 1.00 36.89 ? 448 TRP A CB 1 ATOM 798 C CG . TRP A 1 107 ? -3.852 -1.819 9.183 1.00 38.95 ? 448 TRP A CG 1 ATOM 799 C CD1 . TRP A 1 107 ? -4.823 -1.321 10.014 1.00 38.69 ? 448 TRP A CD1 1 ATOM 800 C CD2 . TRP A 1 107 ? -2.639 -1.817 9.945 1.00 38.60 ? 448 TRP A CD2 1 ATOM 801 N NE1 . TRP A 1 107 ? -4.292 -1.019 11.241 1.00 38.36 ? 448 TRP A NE1 1 ATOM 802 C CE2 . TRP A 1 107 ? -2.953 -1.316 11.231 1.00 39.50 ? 448 TRP A CE2 1 ATOM 803 C CE3 . TRP A 1 107 ? -1.318 -2.202 9.671 1.00 38.54 ? 448 TRP A CE3 1 ATOM 804 C CZ2 . TRP A 1 107 ? -1.999 -1.176 12.235 1.00 38.33 ? 448 TRP A CZ2 1 ATOM 805 C CZ3 . TRP A 1 107 ? -0.369 -2.065 10.667 1.00 37.84 ? 448 TRP A CZ3 1 ATOM 806 C CH2 . TRP A 1 107 ? -0.717 -1.559 11.940 1.00 39.25 ? 448 TRP A CH2 1 ATOM 807 N N . ASN A 1 108 ? -6.531 -4.430 7.692 1.00 36.34 ? 449 ASN A N 1 ATOM 808 C CA . ASN A 1 108 ? -7.805 -4.820 8.282 1.00 38.75 ? 449 ASN A CA 1 ATOM 809 C C . ASN A 1 108 ? -7.981 -6.317 8.532 1.00 37.23 ? 449 ASN A C 1 ATOM 810 O O . ASN A 1 108 ? -8.999 -6.736 9.072 1.00 38.02 ? 449 ASN A O 1 ATOM 811 C CB . ASN A 1 108 ? -8.967 -4.311 7.424 1.00 40.32 ? 449 ASN A CB 1 ATOM 812 C CG . ASN A 1 108 ? -9.026 -2.798 7.362 1.00 42.58 ? 449 ASN A CG 1 ATOM 813 O OD1 . ASN A 1 108 ? -8.913 -2.116 8.383 1.00 45.11 ? 449 ASN A OD1 1 ATOM 814 N ND2 . ASN A 1 108 ? -9.215 -2.264 6.162 1.00 44.10 ? 449 ASN A ND2 1 ATOM 815 N N . SER A 1 109 ? -7.006 -7.128 8.143 1.00 37.44 ? 450 SER A N 1 ATOM 816 C CA . SER A 1 109 ? -7.125 -8.567 8.368 1.00 38.11 ? 450 SER A CA 1 ATOM 817 C C . SER A 1 109 ? -5.885 -9.165 9.015 1.00 39.81 ? 450 SER A C 1 ATOM 818 O O . SER A 1 109 ? -5.555 -10.328 8.776 1.00 41.90 ? 450 SER A O 1 ATOM 819 C CB . SER A 1 109 ? -7.425 -9.292 7.052 1.00 36.64 ? 450 SER A CB 1 ATOM 820 O OG . SER A 1 109 ? -6.438 -9.027 6.074 1.00 36.91 ? 450 SER A OG 1 ATOM 821 N N . LEU A 1 110 ? -5.202 -8.375 9.841 1.00 40.20 ? 451 LEU A N 1 ATOM 822 C CA . LEU A 1 110 ? -3.994 -8.844 10.518 1.00 39.82 ? 451 LEU A CA 1 ATOM 823 C C . LEU A 1 110 ? -4.279 -9.697 11.748 1.00 39.54 ? 451 LEU A C 1 ATOM 824 O O . LEU A 1 110 ? -3.390 -10.399 12.239 1.00 38.66 ? 451 LEU A O 1 ATOM 825 C CB . LEU A 1 110 ? -3.111 -7.666 10.935 1.00 39.70 ? 451 LEU A CB 1 ATOM 826 C CG . LEU A 1 110 ? -2.175 -7.088 9.875 1.00 40.24 ? 451 LEU A CG 1 ATOM 827 C CD1 . LEU A 1 110 ? -1.354 -5.971 10.491 1.00 41.61 ? 451 LEU A CD1 1 ATOM 828 C CD2 . LEU A 1 110 ? -1.258 -8.185 9.344 1.00 39.32 ? 451 LEU A CD2 1 ATOM 829 N N . LYS A 1 111 ? -5.508 -9.635 12.249 1.00 38.17 ? 452 LYS A N 1 ATOM 830 C CA . LYS A 1 111 ? -5.880 -10.410 13.425 1.00 38.90 ? 452 LYS A CA 1 ATOM 831 C C . LYS A 1 111 ? -5.657 -11.904 13.168 1.00 37.69 ? 452 LYS A C 1 ATOM 832 O O . LYS A 1 111 ? -6.092 -12.431 12.144 1.00 36.66 ? 452 LYS A O 1 ATOM 833 C CB . LYS A 1 111 ? -7.351 -10.164 13.781 1.00 41.29 ? 452 LYS A CB 1 ATOM 834 C CG . LYS A 1 111 ? -7.625 -10.191 15.274 1.00 45.84 ? 452 LYS A CG 1 ATOM 835 C CD . LYS A 1 111 ? -8.891 -10.966 15.622 1.00 49.74 ? 452 LYS A CD 1 ATOM 836 C CE . LYS A 1 111 ? -9.097 -10.959 17.129 1.00 51.46 ? 452 LYS A CE 1 ATOM 837 N NZ . LYS A 1 111 ? -7.833 -11.370 17.817 1.00 52.10 ? 452 LYS A NZ 1 ATOM 838 N N . ASP A 1 112 ? -4.972 -12.577 14.091 1.00 36.77 ? 453 ASP A N 1 ATOM 839 C CA . ASP A 1 112 ? -4.705 -14.007 13.970 1.00 37.27 ? 453 ASP A CA 1 ATOM 840 C C . ASP A 1 112 ? -3.616 -14.385 12.985 1.00 36.13 ? 453 ASP A C 1 ATOM 841 O O . ASP A 1 112 ? -3.454 -15.561 12.658 1.00 35.45 ? 453 ASP A O 1 ATOM 842 C CB . ASP A 1 112 ? -5.976 -14.760 13.593 1.00 40.93 ? 453 ASP A CB 1 ATOM 843 C CG . ASP A 1 112 ? -6.929 -14.917 14.757 1.00 44.21 ? 453 ASP A CG 1 ATOM 844 O OD1 . ASP A 1 112 ? -8.146 -15.043 14.502 1.00 47.55 ? 453 ASP A OD1 1 ATOM 845 O OD2 . ASP A 1 112 ? -6.471 -14.925 15.919 1.00 44.97 ? 453 ASP A OD2 1 ATOM 846 N N . LYS A 1 113 ? -2.872 -13.407 12.493 1.00 35.03 ? 454 LYS A N 1 ATOM 847 C CA . LYS A 1 113 ? -1.799 -13.720 11.572 1.00 33.16 ? 454 LYS A CA 1 ATOM 848 C C . LYS A 1 113 ? -0.520 -13.892 12.373 1.00 30.97 ? 454 LYS A C 1 ATOM 849 O O . LYS A 1 113 ? -0.532 -13.821 13.601 1.00 29.17 ? 454 LYS A O 1 ATOM 850 C CB . LYS A 1 113 ? -1.654 -12.607 10.525 1.00 36.50 ? 454 LYS A CB 1 ATOM 851 C CG . LYS A 1 113 ? -2.802 -12.575 9.531 1.00 37.23 ? 454 LYS A CG 1 ATOM 852 C CD . LYS A 1 113 ? -2.942 -13.931 8.832 1.00 38.75 ? 454 LYS A CD 1 ATOM 853 C CE . LYS A 1 113 ? -4.270 -14.059 8.106 1.00 37.75 ? 454 LYS A CE 1 ATOM 854 N NZ . LYS A 1 113 ? -5.416 -13.940 9.051 1.00 41.10 ? 454 LYS A NZ 1 ATOM 855 N N . LYS A 1 114 ? 0.579 -14.123 11.672 1.00 30.82 ? 455 LYS A N 1 ATOM 856 C CA . LYS A 1 114 ? 1.869 -14.303 12.319 1.00 30.07 ? 455 LYS A CA 1 ATOM 857 C C . LYS A 1 114 ? 2.704 -13.052 12.082 1.00 28.00 ? 455 LYS A C 1 ATOM 858 O O . LYS A 1 114 ? 2.822 -12.593 10.944 1.00 24.85 ? 455 LYS A O 1 ATOM 859 C CB . LYS A 1 114 ? 2.546 -15.563 11.761 1.00 30.30 ? 455 LYS A CB 1 ATOM 860 C CG . LYS A 1 114 ? 1.755 -16.834 12.084 1.00 32.49 ? 455 LYS A CG 1 ATOM 861 C CD . LYS A 1 114 ? 2.452 -18.095 11.587 1.00 36.40 ? 455 LYS A CD 1 ATOM 862 C CE . LYS A 1 114 ? 2.070 -18.418 10.148 1.00 39.59 ? 455 LYS A CE 1 ATOM 863 N NZ . LYS A 1 114 ? 3.201 -19.037 9.391 1.00 41.73 ? 455 LYS A NZ 1 ATOM 864 N N . SER A 1 115 ? 3.271 -12.504 13.155 1.00 26.36 ? 456 SER A N 1 ATOM 865 C CA . SER A 1 115 ? 4.051 -11.284 13.034 1.00 25.69 ? 456 SER A CA 1 ATOM 866 C C . SER A 1 115 ? 5.520 -11.370 13.401 1.00 25.85 ? 456 SER A C 1 ATOM 867 O O . SER A 1 115 ? 5.944 -12.217 14.184 1.00 26.25 ? 456 SER A O 1 ATOM 868 C CB . SER A 1 115 ? 3.390 -10.151 13.831 1.00 24.46 ? 456 SER A CB 1 ATOM 869 O OG . SER A 1 115 ? 3.239 -10.464 15.202 1.00 24.43 ? 456 SER A OG 1 ATOM 870 N N . CYS A 1 116 ? 6.286 -10.460 12.813 1.00 25.49 ? 457 CYS A N 1 ATOM 871 C CA . CYS A 1 116 ? 7.720 -10.369 13.029 1.00 22.45 ? 457 CYS A CA 1 ATOM 872 C C . CYS A 1 116 ? 8.041 -8.950 13.485 1.00 21.31 ? 457 CYS A C 1 ATOM 873 O O . CYS A 1 116 ? 7.801 -7.989 12.755 1.00 21.94 ? 457 CYS A O 1 ATOM 874 C CB . CYS A 1 116 ? 8.456 -10.639 11.729 1.00 21.13 ? 457 CYS A CB 1 ATOM 875 S SG . CYS A 1 116 ? 8.079 -12.192 10.865 1.00 24.63 ? 457 CYS A SG 1 ATOM 876 N N . HIS A 1 117 ? 8.596 -8.828 14.685 1.00 22.27 ? 458 HIS A N 1 ATOM 877 C CA . HIS A 1 117 ? 8.938 -7.533 15.266 1.00 19.73 ? 458 HIS A CA 1 ATOM 878 C C . HIS A 1 117 ? 10.437 -7.446 15.495 1.00 22.00 ? 458 HIS A C 1 ATOM 879 O O . HIS A 1 117 ? 11.086 -8.458 15.752 1.00 23.43 ? 458 HIS A O 1 ATOM 880 C CB . HIS A 1 117 ? 8.222 -7.363 16.603 1.00 17.73 ? 458 HIS A CB 1 ATOM 881 C CG . HIS A 1 117 ? 6.740 -7.556 16.527 1.00 20.12 ? 458 HIS A CG 1 ATOM 882 N ND1 . HIS A 1 117 ? 5.851 -6.504 16.489 1.00 20.98 ? 458 HIS A ND1 1 ATOM 883 C CD2 . HIS A 1 117 ? 5.991 -8.684 16.488 1.00 19.34 ? 458 HIS A CD2 1 ATOM 884 C CE1 . HIS A 1 117 ? 4.617 -6.975 16.432 1.00 20.84 ? 458 HIS A CE1 1 ATOM 885 N NE2 . HIS A 1 117 ? 4.675 -8.294 16.430 1.00 21.30 ? 458 HIS A NE2 1 ATOM 886 N N . THR A 1 118 ? 10.983 -6.237 15.407 1.00 21.84 ? 459 THR A N 1 ATOM 887 C CA . THR A 1 118 ? 12.410 -6.044 15.619 1.00 22.26 ? 459 THR A CA 1 ATOM 888 C C . THR A 1 118 ? 12.775 -6.441 17.052 1.00 23.34 ? 459 THR A C 1 ATOM 889 O O . THR A 1 118 ? 13.744 -7.164 17.284 1.00 22.35 ? 459 THR A O 1 ATOM 890 C CB . THR A 1 118 ? 12.818 -4.572 15.353 1.00 21.69 ? 459 THR A CB 1 ATOM 891 O OG1 . THR A 1 118 ? 12.010 -3.688 16.141 1.00 22.34 ? 459 THR A OG1 1 ATOM 892 C CG2 . THR A 1 118 ? 12.633 -4.232 13.883 1.00 20.22 ? 459 THR A CG2 1 ATOM 893 N N . ALA A 1 119 ? 11.975 -5.974 18.004 1.00 24.42 ? 460 ALA A N 1 ATOM 894 C CA . ALA A 1 119 ? 12.184 -6.271 19.416 1.00 25.04 ? 460 ALA A CA 1 ATOM 895 C C . ALA A 1 119 ? 11.035 -5.626 20.159 1.00 26.28 ? 460 ALA A C 1 ATOM 896 O O . ALA A 1 119 ? 10.278 -4.838 19.581 1.00 28.13 ? 460 ALA A O 1 ATOM 897 C CB . ALA A 1 119 ? 13.585 -5.831 19.848 1.00 22.90 ? 460 ALA A CB 1 ATOM 898 N N . VAL A 1 120 ? 10.873 -5.964 21.430 1.00 25.98 ? 461 VAL A N 1 ATOM 899 C CA . VAL A 1 120 ? 9.904 -5.266 22.256 1.00 24.00 ? 461 VAL A CA 1 ATOM 900 C C . VAL A 1 120 ? 10.500 -3.890 22.595 1.00 23.77 ? 461 VAL A C 1 ATOM 901 O O . VAL A 1 120 ? 11.721 -3.751 22.692 1.00 21.25 ? 461 VAL A O 1 ATOM 902 C CB . VAL A 1 120 ? 9.608 -6.076 23.549 1.00 23.25 ? 461 VAL A CB 1 ATOM 903 C CG1 . VAL A 1 120 ? 8.867 -5.217 24.561 1.00 25.91 ? 461 VAL A CG1 1 ATOM 904 C CG2 . VAL A 1 120 ? 8.759 -7.297 23.207 1.00 21.75 ? 461 VAL A CG2 1 ATOM 905 N N . ASP A 1 121 ? 9.643 -2.876 22.725 1.00 24.63 ? 462 ASP A N 1 ATOM 906 C CA . ASP A 1 121 ? 10.062 -1.509 23.060 1.00 26.04 ? 462 ASP A CA 1 ATOM 907 C C . ASP A 1 121 ? 10.732 -0.683 21.964 1.00 24.61 ? 462 ASP A C 1 ATOM 908 O O . ASP A 1 121 ? 11.090 0.480 22.192 1.00 25.97 ? 462 ASP A O 1 ATOM 909 C CB . ASP A 1 121 ? 10.968 -1.512 24.295 1.00 27.72 ? 462 ASP A CB 1 ATOM 910 C CG . ASP A 1 121 ? 10.196 -1.712 25.576 1.00 31.87 ? 462 ASP A CG 1 ATOM 911 O OD1 . ASP A 1 121 ? 8.947 -1.750 25.527 1.00 31.66 ? 462 ASP A OD1 1 ATOM 912 O OD2 . ASP A 1 121 ? 10.842 -1.821 26.635 1.00 35.43 ? 462 ASP A OD2 1 ATOM 913 N N . ARG A 1 122 ? 10.918 -1.253 20.781 1.00 23.47 ? 463 ARG A N 1 ATOM 914 C CA . ARG A 1 122 ? 11.532 -0.486 19.700 1.00 22.85 ? 463 ARG A CA 1 ATOM 915 C C . ARG A 1 122 ? 10.466 0.256 18.883 1.00 21.81 ? 463 ARG A C 1 ATOM 916 O O . ARG A 1 122 ? 9.312 -0.169 18.823 1.00 19.31 ? 463 ARG A O 1 ATOM 917 C CB . ARG A 1 122 ? 12.417 -1.400 18.837 1.00 23.29 ? 463 ARG A CB 1 ATOM 918 C CG . ARG A 1 122 ? 13.714 -1.757 19.568 1.00 22.90 ? 463 ARG A CG 1 ATOM 919 C CD . ARG A 1 122 ? 14.652 -2.645 18.781 1.00 24.14 ? 463 ARG A CD 1 ATOM 920 N NE . ARG A 1 122 ? 15.075 -2.072 17.504 1.00 28.74 ? 463 ARG A NE 1 ATOM 921 C CZ . ARG A 1 122 ? 16.186 -2.417 16.855 1.00 31.64 ? 463 ARG A CZ 1 ATOM 922 N NH1 . ARG A 1 122 ? 17.008 -3.334 17.365 1.00 31.36 ? 463 ARG A NH1 1 ATOM 923 N NH2 . ARG A 1 122 ? 16.463 -1.857 15.684 1.00 30.04 ? 463 ARG A NH2 1 ATOM 924 N N . THR A 1 123 ? 10.851 1.374 18.274 1.00 21.39 ? 464 THR A N 1 ATOM 925 C CA . THR A 1 123 ? 9.902 2.200 17.515 1.00 22.00 ? 464 THR A CA 1 ATOM 926 C C . THR A 1 123 ? 9.123 1.559 16.370 1.00 22.14 ? 464 THR A C 1 ATOM 927 O O . THR A 1 123 ? 7.895 1.416 16.453 1.00 21.54 ? 464 THR A O 1 ATOM 928 C CB . THR A 1 123 ? 10.582 3.476 16.967 1.00 22.49 ? 464 THR A CB 1 ATOM 929 O OG1 . THR A 1 123 ? 11.101 4.255 18.060 1.00 21.88 ? 464 THR A OG1 1 ATOM 930 C CG2 . THR A 1 123 ? 9.577 4.316 16.197 1.00 22.35 ? 464 THR A CG2 1 ATOM 931 N N . ALA A 1 124 ? 9.820 1.197 15.298 1.00 20.60 ? 465 ALA A N 1 ATOM 932 C CA . ALA A 1 124 ? 9.156 0.607 14.137 1.00 22.19 ? 465 ALA A CA 1 ATOM 933 C C . ALA A 1 124 ? 8.648 -0.815 14.361 1.00 22.89 ? 465 ALA A C 1 ATOM 934 O O . ALA A 1 124 ? 7.589 -1.188 13.868 1.00 25.02 ? 465 ALA A O 1 ATOM 935 C CB . ALA A 1 124 ? 10.100 0.639 12.911 1.00 19.04 ? 465 ALA A CB 1 ATOM 936 N N . GLY A 1 125 ? 9.391 -1.602 15.123 1.00 24.42 ? 466 GLY A N 1 ATOM 937 C CA . GLY A 1 125 ? 8.984 -2.971 15.351 1.00 25.23 ? 466 GLY A CA 1 ATOM 938 C C . GLY A 1 125 ? 7.994 -3.230 16.467 1.00 26.21 ? 466 GLY A C 1 ATOM 939 O O . GLY A 1 125 ? 7.473 -4.345 16.564 1.00 24.51 ? 466 GLY A O 1 ATOM 940 N N . TRP A 1 126 ? 7.721 -2.236 17.311 1.00 24.66 ? 467 TRP A N 1 ATOM 941 C CA . TRP A 1 126 ? 6.779 -2.461 18.400 1.00 24.64 ? 467 TRP A CA 1 ATOM 942 C C . TRP A 1 126 ? 5.887 -1.282 18.794 1.00 23.86 ? 467 TRP A C 1 ATOM 943 O O . TRP A 1 126 ? 4.668 -1.349 18.631 1.00 23.24 ? 467 TRP A O 1 ATOM 944 C CB . TRP A 1 126 ? 7.540 -2.980 19.624 1.00 24.57 ? 467 TRP A CB 1 ATOM 945 C CG . TRP A 1 126 ? 6.664 -3.406 20.760 1.00 24.91 ? 467 TRP A CG 1 ATOM 946 C CD1 . TRP A 1 126 ? 6.324 -2.668 21.853 1.00 23.61 ? 467 TRP A CD1 1 ATOM 947 C CD2 . TRP A 1 126 ? 6.021 -4.683 20.918 1.00 25.82 ? 467 TRP A CD2 1 ATOM 948 N NE1 . TRP A 1 126 ? 5.513 -3.406 22.688 1.00 26.80 ? 467 TRP A NE1 1 ATOM 949 C CE2 . TRP A 1 126 ? 5.309 -4.644 22.137 1.00 24.70 ? 467 TRP A CE2 1 ATOM 950 C CE3 . TRP A 1 126 ? 5.978 -5.855 20.145 1.00 25.75 ? 467 TRP A CE3 1 ATOM 951 C CZ2 . TRP A 1 126 ? 4.560 -5.732 22.607 1.00 27.50 ? 467 TRP A CZ2 1 ATOM 952 C CZ3 . TRP A 1 126 ? 5.232 -6.940 20.613 1.00 28.02 ? 467 TRP A CZ3 1 ATOM 953 C CH2 . TRP A 1 126 ? 4.533 -6.867 21.834 1.00 28.26 ? 467 TRP A CH2 1 ATOM 954 N N . ASN A 1 127 ? 6.485 -0.211 19.308 1.00 23.52 ? 468 ASN A N 1 ATOM 955 C CA . ASN A 1 127 ? 5.717 0.946 19.739 1.00 26.28 ? 468 ASN A CA 1 ATOM 956 C C . ASN A 1 127 ? 4.699 1.489 18.740 1.00 26.08 ? 468 ASN A C 1 ATOM 957 O O . ASN A 1 127 ? 3.545 1.703 19.104 1.00 26.44 ? 468 ASN A O 1 ATOM 958 C CB . ASN A 1 127 ? 6.661 2.056 20.204 1.00 28.86 ? 468 ASN A CB 1 ATOM 959 C CG . ASN A 1 127 ? 7.430 1.667 21.461 1.00 30.50 ? 468 ASN A CG 1 ATOM 960 O OD1 . ASN A 1 127 ? 6.955 0.857 22.265 1.00 28.32 ? 468 ASN A OD1 1 ATOM 961 N ND2 . ASN A 1 127 ? 8.622 2.247 21.640 1.00 28.59 ? 468 ASN A ND2 1 ATOM 962 N N . ILE A 1 128 ? 5.094 1.682 17.485 1.00 26.74 ? 469 ILE A N 1 ATOM 963 C CA . ILE A 1 128 ? 4.162 2.219 16.501 1.00 28.40 ? 469 ILE A CA 1 ATOM 964 C C . ILE A 1 128 ? 3.019 1.270 16.130 1.00 30.66 ? 469 ILE A C 1 ATOM 965 O O . ILE A 1 128 ? 1.849 1.621 16.276 1.00 33.04 ? 469 ILE A O 1 ATOM 966 C CB . ILE A 1 128 ? 4.903 2.660 15.212 1.00 28.79 ? 469 ILE A CB 1 ATOM 967 C CG1 . ILE A 1 128 ? 5.818 3.846 15.537 1.00 30.91 ? 469 ILE A CG1 1 ATOM 968 C CG2 . ILE A 1 128 ? 3.919 3.002 14.106 1.00 27.58 ? 469 ILE A CG2 1 ATOM 969 C CD1 . ILE A 1 128 ? 5.160 4.961 16.315 1.00 32.76 ? 469 ILE A CD1 1 ATOM 970 N N . PRO A 1 129 ? 3.336 0.058 15.649 1.00 30.57 ? 470 PRO A N 1 ATOM 971 C CA . PRO A 1 129 ? 2.244 -0.848 15.286 1.00 30.37 ? 470 PRO A CA 1 ATOM 972 C C . PRO A 1 129 ? 1.354 -1.339 16.429 1.00 31.40 ? 470 PRO A C 1 ATOM 973 O O . PRO A 1 129 ? 0.130 -1.359 16.284 1.00 31.02 ? 470 PRO A O 1 ATOM 974 C CB . PRO A 1 129 ? 2.966 -1.974 14.555 1.00 30.35 ? 470 PRO A CB 1 ATOM 975 C CG . PRO A 1 129 ? 4.296 -2.019 15.253 1.00 30.78 ? 470 PRO A CG 1 ATOM 976 C CD . PRO A 1 129 ? 4.649 -0.551 15.361 1.00 30.69 ? 470 PRO A CD 1 ATOM 977 N N . MET A 1 130 ? 1.937 -1.718 17.565 1.00 32.02 ? 471 MET A N 1 ATOM 978 C CA . MET A 1 130 ? 1.132 -2.187 18.690 1.00 32.60 ? 471 MET A CA 1 ATOM 979 C C . MET A 1 130 ? 0.328 -1.046 19.297 1.00 34.01 ? 471 MET A C 1 ATOM 980 O O . MET A 1 130 ? -0.767 -1.257 19.827 1.00 33.71 ? 471 MET A O 1 ATOM 981 C CB . MET A 1 130 ? 2.024 -2.840 19.746 1.00 32.38 ? 471 MET A CB 1 ATOM 982 C CG . MET A 1 130 ? 2.686 -4.109 19.247 1.00 34.06 ? 471 MET A CG 1 ATOM 983 S SD . MET A 1 130 ? 1.517 -5.445 18.877 1.00 37.26 ? 471 MET A SD 1 ATOM 984 C CE . MET A 1 130 ? 1.515 -5.432 17.145 1.00 37.56 ? 471 MET A CE 1 ATOM 985 N N . GLY A 1 131 ? 0.884 0.162 19.226 1.00 34.02 ? 472 GLY A N 1 ATOM 986 C CA . GLY A 1 131 ? 0.185 1.324 19.740 1.00 35.29 ? 472 GLY A CA 1 ATOM 987 C C . GLY A 1 131 ? -1.043 1.542 18.873 1.00 37.42 ? 472 GLY A C 1 ATOM 988 O O . GLY A 1 131 ? -2.149 1.784 19.367 1.00 37.39 ? 472 GLY A O 1 ATOM 989 N N . LEU A 1 132 ? -0.845 1.438 17.563 1.00 37.75 ? 473 LEU A N 1 ATOM 990 C CA . LEU A 1 132 ? -1.927 1.598 16.603 1.00 38.26 ? 473 LEU A CA 1 ATOM 991 C C . LEU A 1 132 ? -2.963 0.496 16.765 1.00 39.94 ? 473 LEU A C 1 ATOM 992 O O . LEU A 1 132 ? -4.162 0.748 16.660 1.00 42.61 ? 473 LEU A O 1 ATOM 993 C CB . LEU A 1 132 ? -1.382 1.578 15.173 1.00 37.21 ? 473 LEU A CB 1 ATOM 994 C CG . LEU A 1 132 ? -0.757 2.867 14.628 1.00 37.65 ? 473 LEU A CG 1 ATOM 995 C CD1 . LEU A 1 132 ? -0.183 2.640 13.230 1.00 33.24 ? 473 LEU A CD1 1 ATOM 996 C CD2 . LEU A 1 132 ? -1.827 3.941 14.594 1.00 37.30 ? 473 LEU A CD2 1 ATOM 997 N N . ILE A 1 133 ? -2.509 -0.722 17.031 1.00 38.58 ? 474 ILE A N 1 ATOM 998 C CA . ILE A 1 133 ? -3.425 -1.838 17.192 1.00 40.28 ? 474 ILE A CA 1 ATOM 999 C C . ILE A 1 133 ? -4.224 -1.782 18.492 1.00 41.94 ? 474 ILE A C 1 ATOM 1000 O O . ILE A 1 133 ? -5.395 -2.154 18.513 1.00 43.21 ? 474 ILE A O 1 ATOM 1001 C CB . ILE A 1 133 ? -2.668 -3.186 17.092 1.00 39.00 ? 474 ILE A CB 1 ATOM 1002 C CG1 . ILE A 1 133 ? -2.308 -3.462 15.624 1.00 37.65 ? 474 ILE A CG1 1 ATOM 1003 C CG2 . ILE A 1 133 ? -3.510 -4.306 17.691 1.00 38.59 ? 474 ILE A CG2 1 ATOM 1004 C CD1 . ILE A 1 133 ? -1.217 -4.485 15.422 1.00 35.18 ? 474 ILE A CD1 1 ATOM 1005 N N . VAL A 1 134 ? -3.614 -1.309 19.573 1.00 43.63 ? 475 VAL A N 1 ATOM 1006 C CA . VAL A 1 134 ? -4.332 -1.232 20.841 1.00 44.22 ? 475 VAL A CA 1 ATOM 1007 C C . VAL A 1 134 ? -5.445 -0.209 20.728 1.00 45.24 ? 475 VAL A C 1 ATOM 1008 O O . VAL A 1 134 ? -6.557 -0.412 21.210 1.00 44.15 ? 475 VAL A O 1 ATOM 1009 C CB . VAL A 1 134 ? -3.380 -0.865 22.006 1.00 44.43 ? 475 VAL A CB 1 ATOM 1010 C CG1 . VAL A 1 134 ? -4.162 -0.244 23.164 1.00 43.68 ? 475 VAL A CG1 1 ATOM 1011 C CG2 . VAL A 1 134 ? -2.671 -2.122 22.481 1.00 44.08 ? 475 VAL A CG2 1 ATOM 1012 N N . ASN A 1 135 ? -4.861 0.836 20.213 1.00 23.21 ? 476 ASN A N 1 ATOM 1013 C CA . ASN A 1 135 ? -5.869 1.877 20.040 1.00 24.35 ? 476 ASN A CA 1 ATOM 1014 C C . ASN A 1 135 ? -7.065 1.410 19.226 1.00 24.85 ? 476 ASN A C 1 ATOM 1015 O O . ASN A 1 135 ? -8.214 1.580 19.633 1.00 24.53 ? 476 ASN A O 1 ATOM 1016 C CB . ASN A 1 135 ? -5.266 3.115 19.384 1.00 24.75 ? 476 ASN A CB 1 ATOM 1017 C CG . ASN A 1 135 ? -4.407 3.916 20.335 1.00 26.05 ? 476 ASN A CG 1 ATOM 1018 O OD1 . ASN A 1 135 ? -4.324 3.602 21.526 1.00 26.08 ? 476 ASN A OD1 1 ATOM 1019 N ND2 . ASN A 1 135 ? -3.750 4.954 19.807 1.00 28.94 ? 476 ASN A ND2 1 ATOM 1020 N N . GLN A 1 136 ? -7.029 0.898 17.933 1.00 48.81 ? 477 GLN A N 1 ATOM 1021 C CA . GLN A 1 136 ? -8.073 0.461 17.037 1.00 49.37 ? 477 GLN A CA 1 ATOM 1022 C C . GLN A 1 136 ? -8.946 -0.658 17.566 1.00 48.94 ? 477 GLN A C 1 ATOM 1023 O O . GLN A 1 136 ? -10.065 -0.823 17.095 1.00 49.19 ? 477 GLN A O 1 ATOM 1024 C CB . GLN A 1 136 ? -7.475 0.095 15.672 1.00 48.67 ? 477 GLN A CB 1 ATOM 1025 C CG . GLN A 1 136 ? -6.962 1.299 14.889 1.00 48.76 ? 477 GLN A CG 1 ATOM 1026 C CD . GLN A 1 136 ? -6.319 0.922 13.566 1.00 49.39 ? 477 GLN A CD 1 ATOM 1027 O OE1 . GLN A 1 136 ? -6.210 -0.259 13.225 1.00 49.98 ? 477 GLN A OE1 1 ATOM 1028 N NE2 . GLN A 1 136 ? -5.881 1.929 12.814 1.00 48.72 ? 477 GLN A NE2 1 ATOM 1029 N N . THR A 1 137 ? -8.463 -1.422 18.540 1.00 49.45 ? 478 THR A N 1 ATOM 1030 C CA . THR A 1 137 ? -9.287 -2.495 19.084 1.00 49.56 ? 478 THR A CA 1 ATOM 1031 C C . THR A 1 137 ? -9.794 -2.165 20.481 1.00 50.17 ? 478 THR A C 1 ATOM 1032 O O . THR A 1 137 ? -10.484 -2.975 21.094 1.00 50.65 ? 478 THR A O 1 ATOM 1033 C CB . THR A 1 137 ? -8.524 -3.843 19.158 1.00 48.55 ? 478 THR A CB 1 ATOM 1034 O OG1 . THR A 1 137 ? -7.565 -3.801 20.224 1.00 46.27 ? 478 THR A OG1 1 ATOM 1035 C CG2 . THR A 1 137 ? -7.820 -4.136 17.840 1.00 47.32 ? 478 THR A CG2 1 ATOM 1036 N N . GLY A 1 138 ? -9.455 -0.978 20.976 1.00 50.98 ? 479 GLY A N 1 ATOM 1037 C CA . GLY A 1 138 ? -9.892 -0.583 22.302 1.00 51.57 ? 479 GLY A CA 1 ATOM 1038 C C . GLY A 1 138 ? -9.640 -1.681 23.318 1.00 53.14 ? 479 GLY A C 1 ATOM 1039 O O . GLY A 1 138 ? -10.514 -2.031 24.113 1.00 54.51 ? 479 GLY A O 1 ATOM 1040 N N . SER A 1 139 ? -8.433 -2.234 23.284 1.00 53.90 ? 480 SER A N 1 ATOM 1041 C CA . SER A 1 139 ? -8.053 -3.304 24.195 1.00 54.00 ? 480 SER A CA 1 ATOM 1042 C C . SER A 1 139 ? -6.538 -3.410 24.357 1.00 54.10 ? 480 SER A C 1 ATOM 1043 O O . SER A 1 139 ? -5.781 -3.223 23.400 1.00 55.51 ? 480 SER A O 1 ATOM 1044 C CB . SER A 1 139 ? -8.619 -4.627 23.692 1.00 54.01 ? 480 SER A CB 1 ATOM 1045 O OG . SER A 1 139 ? -8.000 -5.715 24.348 1.00 54.92 ? 480 SER A OG 1 ATOM 1046 N N . CYS A 1 140 ? -6.114 -3.716 25.580 1.00 53.20 ? 481 CYS A N 1 ATOM 1047 C CA . CYS A 1 140 ? -4.703 -3.847 25.934 1.00 52.46 ? 481 CYS A CA 1 ATOM 1048 C C . CYS A 1 140 ? -4.116 -5.241 25.734 1.00 51.97 ? 481 CYS A C 1 ATOM 1049 O O . CYS A 1 140 ? -2.922 -5.449 25.963 1.00 51.64 ? 481 CYS A O 1 ATOM 1050 C CB . CYS A 1 140 ? -4.500 -3.459 27.394 1.00 53.34 ? 481 CYS A CB 1 ATOM 1051 S SG . CYS A 1 140 ? -4.313 -1.693 27.767 1.00 53.70 ? 481 CYS A SG 1 ATOM 1052 N N . ALA A 1 141 ? -4.944 -6.195 25.322 1.00 51.42 ? 482 ALA A N 1 ATOM 1053 C CA . ALA A 1 141 ? -4.480 -7.563 25.114 1.00 51.27 ? 482 ALA A CA 1 ATOM 1054 C C . ALA A 1 141 ? -3.740 -7.717 23.795 1.00 51.04 ? 482 ALA A C 1 ATOM 1055 O O . ALA A 1 141 ? -4.052 -8.599 22.997 1.00 51.31 ? 482 ALA A O 1 ATOM 1056 C CB . ALA A 1 141 ? -5.661 -8.528 25.164 1.00 51.21 ? 482 ALA A CB 1 ATOM 1057 N N . PHE A 1 142 ? -2.748 -6.861 23.577 1.00 50.34 ? 483 PHE A N 1 ATOM 1058 C CA . PHE A 1 142 ? -1.967 -6.904 22.350 1.00 49.08 ? 483 PHE A CA 1 ATOM 1059 C C . PHE A 1 142 ? -1.210 -8.215 22.188 1.00 48.78 ? 483 PHE A C 1 ATOM 1060 O O . PHE A 1 142 ? -0.699 -8.512 21.109 1.00 48.69 ? 483 PHE A O 1 ATOM 1061 C CB . PHE A 1 142 ? -0.976 -5.740 22.311 1.00 49.05 ? 483 PHE A CB 1 ATOM 1062 C CG . PHE A 1 142 ? 0.026 -5.753 23.433 1.00 47.92 ? 483 PHE A CG 1 ATOM 1063 C CD1 . PHE A 1 142 ? -0.104 -4.886 24.506 1.00 47.41 ? 483 PHE A CD1 1 ATOM 1064 C CD2 . PHE A 1 142 ? 1.099 -6.635 23.419 1.00 47.11 ? 483 PHE A CD2 1 ATOM 1065 C CE1 . PHE A 1 142 ? 0.817 -4.897 25.548 1.00 47.24 ? 483 PHE A CE1 1 ATOM 1066 C CE2 . PHE A 1 142 ? 2.022 -6.653 24.458 1.00 46.13 ? 483 PHE A CE2 1 ATOM 1067 C CZ . PHE A 1 142 ? 1.882 -5.783 25.524 1.00 46.08 ? 483 PHE A CZ 1 ATOM 1068 N N . ASP A 1 143 ? -1.129 -8.994 23.263 1.00 48.54 ? 484 ASP A N 1 ATOM 1069 C CA . ASP A 1 143 ? -0.421 -10.272 23.219 1.00 48.65 ? 484 ASP A CA 1 ATOM 1070 C C . ASP A 1 143 ? -1.332 -11.381 22.720 1.00 48.74 ? 484 ASP A C 1 ATOM 1071 O O . ASP A 1 143 ? -0.930 -12.543 22.649 1.00 49.17 ? 484 ASP A O 1 ATOM 1072 C CB . ASP A 1 143 ? 0.092 -10.647 24.602 1.00 50.03 ? 484 ASP A CB 1 ATOM 1073 C CG . ASP A 1 143 ? -1.028 -10.795 25.605 1.00 49.78 ? 484 ASP A CG 1 ATOM 1074 O OD1 . ASP A 1 143 ? -1.683 -9.777 25.920 1.00 49.22 ? 484 ASP A OD1 1 ATOM 1075 O OD2 . ASP A 1 143 ? -1.265 -11.931 26.069 1.00 52.89 ? 484 ASP A OD2 1 ATOM 1076 N N . GLU A 1 144 ? -2.569 -11.025 22.399 1.00 48.30 ? 485 GLU A N 1 ATOM 1077 C CA . GLU A 1 144 ? -3.518 -12.004 21.895 1.00 48.92 ? 485 GLU A CA 1 ATOM 1078 C C . GLU A 1 144 ? -4.055 -11.599 20.534 1.00 46.69 ? 485 GLU A C 1 ATOM 1079 O O . GLU A 1 144 ? -4.915 -12.271 19.976 1.00 48.06 ? 485 GLU A O 1 ATOM 1080 C CB . GLU A 1 144 ? -4.664 -12.192 22.893 1.00 51.94 ? 485 GLU A CB 1 ATOM 1081 C CG . GLU A 1 144 ? -4.441 -13.371 23.823 1.00 56.54 ? 485 GLU A CG 1 ATOM 1082 C CD . GLU A 1 144 ? -5.216 -13.266 25.122 1.00 60.06 ? 485 GLU A CD 1 ATOM 1083 O OE1 . GLU A 1 144 ? -5.005 -14.127 26.009 1.00 61.88 ? 485 GLU A OE1 1 ATOM 1084 O OE2 . GLU A 1 144 ? -6.033 -12.328 25.262 1.00 62.62 ? 485 GLU A OE2 1 ATOM 1085 N N . PHE A 1 145 ? -3.534 -10.503 19.994 1.00 43.68 ? 486 PHE A N 1 ATOM 1086 C CA . PHE A 1 145 ? -3.974 -10.029 18.694 1.00 40.78 ? 486 PHE A CA 1 ATOM 1087 C C . PHE A 1 145 ? -3.455 -10.943 17.594 1.00 39.58 ? 486 PHE A C 1 ATOM 1088 O O . PHE A 1 145 ? -4.209 -11.371 16.727 1.00 40.41 ? 486 PHE A O 1 ATOM 1089 C CB . PHE A 1 145 ? -3.487 -8.602 18.442 1.00 40.52 ? 486 PHE A CB 1 ATOM 1090 C CG . PHE A 1 145 ? -3.994 -8.021 17.155 1.00 40.56 ? 486 PHE A CG 1 ATOM 1091 C CD1 . PHE A 1 145 ? -5.329 -7.637 17.029 1.00 38.46 ? 486 PHE A CD1 1 ATOM 1092 C CD2 . PHE A 1 145 ? -3.154 -7.908 16.051 1.00 39.21 ? 486 PHE A CD2 1 ATOM 1093 C CE1 . PHE A 1 145 ? -5.826 -7.148 15.821 1.00 37.72 ? 486 PHE A CE1 1 ATOM 1094 C CE2 . PHE A 1 145 ? -3.638 -7.420 14.835 1.00 40.31 ? 486 PHE A CE2 1 ATOM 1095 C CZ . PHE A 1 145 ? -4.981 -7.039 14.720 1.00 38.12 ? 486 PHE A CZ 1 ATOM 1096 N N . PHE A 1 146 ? -2.160 -11.233 17.624 1.00 38.65 ? 487 PHE A N 1 ATOM 1097 C CA . PHE A 1 146 ? -1.543 -12.110 16.630 1.00 38.78 ? 487 PHE A CA 1 ATOM 1098 C C . PHE A 1 146 ? -1.557 -13.540 17.177 1.00 39.05 ? 487 PHE A C 1 ATOM 1099 O O . PHE A 1 146 ? -1.537 -13.740 18.395 1.00 40.77 ? 487 PHE A O 1 ATOM 1100 C CB . PHE A 1 146 ? -0.099 -11.661 16.340 1.00 37.33 ? 487 PHE A CB 1 ATOM 1101 C CG . PHE A 1 146 ? 0.001 -10.364 15.572 1.00 35.68 ? 487 PHE A CG 1 ATOM 1102 C CD1 . PHE A 1 146 ? -0.374 -10.300 14.239 1.00 36.75 ? 487 PHE A CD1 1 ATOM 1103 C CD2 . PHE A 1 146 ? 0.467 -9.208 16.182 1.00 37.53 ? 487 PHE A CD2 1 ATOM 1104 C CE1 . PHE A 1 146 ? -0.291 -9.105 13.526 1.00 36.46 ? 487 PHE A CE1 1 ATOM 1105 C CE2 . PHE A 1 146 ? 0.551 -8.010 15.473 1.00 36.84 ? 487 PHE A CE2 1 ATOM 1106 C CZ . PHE A 1 146 ? 0.170 -7.961 14.144 1.00 37.46 ? 487 PHE A CZ 1 ATOM 1107 N N . SER A 1 147 ? -1.595 -14.540 16.300 1.00 38.52 ? 488 SER A N 1 ATOM 1108 C CA . SER A 1 147 ? -1.620 -15.917 16.788 1.00 37.95 ? 488 SER A CA 1 ATOM 1109 C C . SER A 1 147 ? -0.243 -16.340 17.285 1.00 37.52 ? 488 SER A C 1 ATOM 1110 O O . SER A 1 147 ? -0.125 -17.037 18.289 1.00 37.85 ? 488 SER A O 1 ATOM 1111 C CB . SER A 1 147 ? -2.123 -16.879 15.701 1.00 37.22 ? 488 SER A CB 1 ATOM 1112 O OG . SER A 1 147 ? -1.370 -16.786 14.513 1.00 37.24 ? 488 SER A OG 1 ATOM 1113 N N . GLN A 1 148 ? 0.797 -15.908 16.582 1.00 35.99 ? 489 GLN A N 1 ATOM 1114 C CA . GLN A 1 148 ? 2.174 -16.218 16.955 1.00 34.21 ? 489 GLN A CA 1 ATOM 1115 C C . GLN A 1 148 ? 3.061 -15.098 16.433 1.00 32.89 ? 489 GLN A C 1 ATOM 1116 O O . GLN A 1 148 ? 2.749 -14.488 15.410 1.00 32.67 ? 489 GLN A O 1 ATOM 1117 C CB . GLN A 1 148 ? 2.618 -17.545 16.333 1.00 34.36 ? 489 GLN A CB 1 ATOM 1118 C CG . GLN A 1 148 ? 1.917 -18.769 16.880 1.00 38.58 ? 489 GLN A CG 1 ATOM 1119 C CD . GLN A 1 148 ? 2.574 -20.054 16.420 1.00 39.43 ? 489 GLN A CD 1 ATOM 1120 O OE1 . GLN A 1 148 ? 2.692 -21.009 17.189 1.00 42.63 ? 489 GLN A OE1 1 ATOM 1121 N NE2 . GLN A 1 148 ? 3.005 -20.087 15.159 1.00 41.40 ? 489 GLN A NE2 1 ATOM 1122 N N . SER A 1 149 ? 4.164 -14.834 17.123 1.00 29.93 ? 490 SER A N 1 ATOM 1123 C CA . SER A 1 149 ? 5.074 -13.782 16.705 1.00 28.92 ? 490 SER A CA 1 ATOM 1124 C C . SER A 1 149 ? 6.491 -14.091 17.141 1.00 27.87 ? 490 SER A C 1 ATOM 1125 O O . SER A 1 149 ? 6.775 -15.112 17.764 1.00 28.17 ? 490 SER A O 1 ATOM 1126 C CB . SER A 1 149 ? 4.664 -12.445 17.343 1.00 28.69 ? 490 SER A CB 1 ATOM 1127 O OG . SER A 1 149 ? 3.263 -12.235 17.272 1.00 29.14 ? 490 SER A OG 1 ATOM 1128 N N . CYS A 1 150 ? 7.387 -13.210 16.737 1.00 26.25 ? 491 CYS A N 1 ATOM 1129 C CA . CYS A 1 150 ? 8.750 -13.264 17.185 1.00 24.50 ? 491 CYS A CA 1 ATOM 1130 C C . CYS A 1 150 ? 8.949 -11.807 17.541 1.00 24.69 ? 491 CYS A C 1 ATOM 1131 O O . CYS A 1 150 ? 9.083 -10.939 16.674 1.00 22.52 ? 491 CYS A O 1 ATOM 1132 C CB . CYS A 1 150 ? 9.765 -13.696 16.128 1.00 25.24 ? 491 CYS A CB 1 ATOM 1133 S SG . CYS A 1 150 ? 11.457 -13.454 16.787 1.00 24.16 ? 491 CYS A SG 1 ATOM 1134 N N . ALA A 1 151 ? 8.913 -11.554 18.839 1.00 24.39 ? 492 ALA A N 1 ATOM 1135 C CA . ALA A 1 151 ? 9.072 -10.222 19.380 1.00 25.23 ? 492 ALA A CA 1 ATOM 1136 C C . ALA A 1 151 ? 10.162 -10.317 20.444 1.00 24.64 ? 492 ALA A C 1 ATOM 1137 O O . ALA A 1 151 ? 9.879 -10.417 21.632 1.00 24.02 ? 492 ALA A O 1 ATOM 1138 C CB . ALA A 1 151 ? 7.759 -9.764 19.995 1.00 24.98 ? 492 ALA A CB 1 ATOM 1139 N N . PRO A 1 152 ? 11.431 -10.305 20.017 1.00 25.62 ? 493 PRO A N 1 ATOM 1140 C CA . PRO A 1 152 ? 12.576 -10.392 20.927 1.00 25.08 ? 493 PRO A CA 1 ATOM 1141 C C . PRO A 1 152 ? 12.350 -9.594 22.200 1.00 25.34 ? 493 PRO A C 1 ATOM 1142 O O . PRO A 1 152 ? 11.991 -8.419 22.141 1.00 26.10 ? 493 PRO A O 1 ATOM 1143 C CB . PRO A 1 152 ? 13.709 -9.827 20.088 1.00 26.10 ? 493 PRO A CB 1 ATOM 1144 C CG . PRO A 1 152 ? 13.350 -10.337 18.718 1.00 26.43 ? 493 PRO A CG 1 ATOM 1145 C CD . PRO A 1 152 ? 11.876 -10.031 18.638 1.00 23.25 ? 493 PRO A CD 1 ATOM 1146 N N . GLY A 1 153 ? 12.546 -10.231 23.353 1.00 23.68 ? 494 GLY A N 1 ATOM 1147 C CA . GLY A 1 153 ? 12.365 -9.526 24.610 1.00 21.96 ? 494 GLY A CA 1 ATOM 1148 C C . GLY A 1 153 ? 11.087 -9.824 25.368 1.00 21.41 ? 494 GLY A C 1 ATOM 1149 O O . GLY A 1 153 ? 10.907 -9.344 26.480 1.00 21.35 ? 494 GLY A O 1 ATOM 1150 N N . ALA A 1 154 ? 10.183 -10.586 24.765 1.00 22.92 ? 495 ALA A N 1 ATOM 1151 C CA . ALA A 1 154 ? 8.942 -10.956 25.438 1.00 22.99 ? 495 ALA A CA 1 ATOM 1152 C C . ALA A 1 154 ? 9.220 -12.292 26.138 1.00 23.87 ? 495 ALA A C 1 ATOM 1153 O O . ALA A 1 154 ? 10.296 -12.854 25.974 1.00 26.55 ? 495 ALA A O 1 ATOM 1154 C CB . ALA A 1 154 ? 7.825 -11.108 24.427 1.00 18.97 ? 495 ALA A CB 1 ATOM 1155 N N . ASP A 1 155 ? 8.270 -12.807 26.910 1.00 27.33 ? 496 ASP A N 1 ATOM 1156 C CA . ASP A 1 155 ? 8.496 -14.070 27.615 1.00 28.86 ? 496 ASP A CA 1 ATOM 1157 C C . ASP A 1 155 ? 8.785 -15.192 26.626 1.00 29.45 ? 496 ASP A C 1 ATOM 1158 O O . ASP A 1 155 ? 7.944 -15.523 25.795 1.00 29.31 ? 496 ASP A O 1 ATOM 1159 C CB . ASP A 1 155 ? 7.282 -14.435 28.480 1.00 31.40 ? 496 ASP A CB 1 ATOM 1160 C CG . ASP A 1 155 ? 7.501 -15.721 29.288 1.00 34.75 ? 496 ASP A CG 1 ATOM 1161 O OD1 . ASP A 1 155 ? 8.623 -16.267 29.258 1.00 34.32 ? 496 ASP A OD1 1 ATOM 1162 O OD2 . ASP A 1 155 ? 6.553 -16.192 29.958 1.00 36.07 ? 496 ASP A OD2 1 ATOM 1163 N N . PRO A 1 156 ? 9.980 -15.799 26.700 1.00 29.90 ? 497 PRO A N 1 ATOM 1164 C CA . PRO A 1 156 ? 10.261 -16.875 25.747 1.00 30.44 ? 497 PRO A CA 1 ATOM 1165 C C . PRO A 1 156 ? 9.240 -18.022 25.662 1.00 31.75 ? 497 PRO A C 1 ATOM 1166 O O . PRO A 1 156 ? 9.204 -18.734 24.663 1.00 33.24 ? 497 PRO A O 1 ATOM 1167 C CB . PRO A 1 156 ? 11.677 -17.329 26.130 1.00 29.34 ? 497 PRO A CB 1 ATOM 1168 C CG . PRO A 1 156 ? 11.825 -16.897 27.560 1.00 30.30 ? 497 PRO A CG 1 ATOM 1169 C CD . PRO A 1 156 ? 11.126 -15.564 27.595 1.00 30.80 ? 497 PRO A CD 1 ATOM 1170 N N . LYS A 1 157 ? 8.399 -18.215 26.672 1.00 32.79 ? 498 LYS A N 1 ATOM 1171 C CA . LYS A 1 157 ? 7.403 -19.281 26.553 1.00 35.25 ? 498 LYS A CA 1 ATOM 1172 C C . LYS A 1 157 ? 6.005 -18.745 26.221 1.00 35.30 ? 498 LYS A C 1 ATOM 1173 O O . LYS A 1 157 ? 5.011 -19.456 26.342 1.00 38.18 ? 498 LYS A O 1 ATOM 1174 C CB . LYS A 1 157 ? 7.369 -20.168 27.814 1.00 37.81 ? 498 LYS A CB 1 ATOM 1175 C CG . LYS A 1 157 ? 7.140 -19.436 29.120 1.00 41.21 ? 498 LYS A CG 1 ATOM 1176 C CD . LYS A 1 157 ? 8.035 -20.003 30.218 1.00 42.59 ? 498 LYS A CD 1 ATOM 1177 C CE . LYS A 1 157 ? 8.339 -18.933 31.251 1.00 44.45 ? 498 LYS A CE 1 ATOM 1178 N NZ . LYS A 1 157 ? 7.075 -18.371 31.798 1.00 42.84 ? 498 LYS A NZ 1 ATOM 1179 N N . SER A 1 158 ? 5.939 -17.489 25.785 1.00 33.99 ? 499 SER A N 1 ATOM 1180 C CA . SER A 1 158 ? 4.677 -16.864 25.396 1.00 32.50 ? 499 SER A CA 1 ATOM 1181 C C . SER A 1 158 ? 4.577 -16.987 23.873 1.00 31.66 ? 499 SER A C 1 ATOM 1182 O O . SER A 1 158 ? 5.572 -17.286 23.212 1.00 29.39 ? 499 SER A O 1 ATOM 1183 C CB . SER A 1 158 ? 4.666 -15.383 25.807 1.00 30.95 ? 499 SER A CB 1 ATOM 1184 O OG . SER A 1 158 ? 5.514 -14.617 24.969 1.00 33.54 ? 499 SER A OG 1 ATOM 1185 N N . ARG A 1 159 ? 3.402 -16.757 23.326 1.00 31.94 ? 500 ARG A N 1 ATOM 1186 C CA . ARG A 1 159 ? 3.187 -16.806 21.907 1.00 33.13 ? 500 ARG A CA 1 ATOM 1187 C C . ARG A 1 159 ? 3.936 -15.708 21.156 1.00 31.25 ? 500 ARG A C 1 ATOM 1188 O O . ARG A 1 159 ? 4.164 -15.814 20.007 1.00 30.09 ? 500 ARG A O 1 ATOM 1189 C CB . ARG A 1 159 ? 1.699 -16.859 21.565 1.00 37.41 ? 500 ARG A CB 1 ATOM 1190 C CG . ARG A 1 159 ? 0.957 -15.603 21.727 1.00 40.25 ? 500 ARG A CG 1 ATOM 1191 C CD . ARG A 1 159 ? -0.405 -15.675 21.129 1.00 45.90 ? 500 ARG A CD 1 ATOM 1192 N NE . ARG A 1 159 ? -1.417 -16.120 22.049 1.00 48.61 ? 500 ARG A NE 1 ATOM 1193 C CZ . ARG A 1 159 ? -2.710 -15.990 21.849 1.00 51.21 ? 500 ARG A CZ 1 ATOM 1194 N NH1 . ARG A 1 159 ? -3.162 -15.441 20.755 1.00 52.85 ? 500 ARG A NH1 1 ATOM 1195 N NH2 . ARG A 1 159 ? -3.567 -16.403 22.757 1.00 51.95 ? 500 ARG A NH2 1 ATOM 1196 N N . LEU A 1 160 ? 4.350 -14.677 21.860 1.00 29.04 ? 501 LEU A N 1 ATOM 1197 C CA . LEU A 1 160 ? 5.053 -13.556 21.251 1.00 28.49 ? 501 LEU A CA 1 ATOM 1198 C C . LEU A 1 160 ? 6.498 -13.939 20.917 1.00 27.64 ? 501 LEU A C 1 ATOM 1199 O O . LEU A 1 160 ? 7.212 -13.184 20.261 1.00 25.87 ? 501 LEU A O 1 ATOM 1200 C CB . LEU A 1 160 ? 5.025 -12.343 22.190 1.00 29.44 ? 501 LEU A CB 1 ATOM 1201 C CG . LEU A 1 160 ? 3.698 -11.571 22.254 1.00 30.22 ? 501 LEU A CG 1 ATOM 1202 C CD1 . LEU A 1 160 ? 3.687 -10.659 23.474 1.00 28.44 ? 501 LEU A CD1 1 ATOM 1203 C CD2 . LEU A 1 160 ? 3.517 -10.751 20.976 1.00 29.16 ? 501 LEU A CD2 1 ATOM 1204 N N . CYS A 1 161 ? 6.922 -15.117 21.375 1.00 27.95 ? 502 CYS A N 1 ATOM 1205 C CA . CYS A 1 161 ? 8.279 -15.615 21.126 1.00 28.19 ? 502 CYS A CA 1 ATOM 1206 C C . CYS A 1 161 ? 8.277 -16.913 20.314 1.00 28.91 ? 502 CYS A C 1 ATOM 1207 O O . CYS A 1 161 ? 9.328 -17.386 19.881 1.00 29.47 ? 502 CYS A O 1 ATOM 1208 C CB . CYS A 1 161 ? 9.018 -15.872 22.449 1.00 27.23 ? 502 CYS A CB 1 ATOM 1209 S SG . CYS A 1 161 ? 9.718 -14.433 23.343 1.00 25.18 ? 502 CYS A SG 1 ATOM 1210 N N . ALA A 1 162 ? 7.092 -17.474 20.103 1.00 28.95 ? 503 ALA A N 1 ATOM 1211 C CA . ALA A 1 162 ? 6.935 -18.730 19.374 1.00 28.30 ? 503 ALA A CA 1 ATOM 1212 C C . ALA A 1 162 ? 7.695 -18.876 18.067 1.00 28.66 ? 503 ALA A C 1 ATOM 1213 O O . ALA A 1 162 ? 8.210 -19.958 17.766 1.00 29.71 ? 503 ALA A O 1 ATOM 1214 C CB . ALA A 1 162 ? 5.450 -19.001 19.127 1.00 27.59 ? 503 ALA A CB 1 ATOM 1215 N N . LEU A 1 163 ? 7.783 -17.799 17.293 1.00 29.73 ? 504 LEU A N 1 ATOM 1216 C CA . LEU A 1 163 ? 8.453 -17.855 15.997 1.00 27.57 ? 504 LEU A CA 1 ATOM 1217 C C . LEU A 1 163 ? 9.936 -17.538 16.013 1.00 27.61 ? 504 LEU A C 1 ATOM 1218 O O . LEU A 1 163 ? 10.611 -17.680 14.997 1.00 28.23 ? 504 LEU A O 1 ATOM 1219 C CB . LEU A 1 163 ? 7.756 -16.922 15.006 1.00 28.45 ? 504 LEU A CB 1 ATOM 1220 C CG . LEU A 1 163 ? 6.245 -17.137 14.833 1.00 30.69 ? 504 LEU A CG 1 ATOM 1221 C CD1 . LEU A 1 163 ? 5.701 -16.076 13.879 1.00 27.96 ? 504 LEU A CD1 1 ATOM 1222 C CD2 . LEU A 1 163 ? 5.965 -18.555 14.307 1.00 27.41 ? 504 LEU A CD2 1 ATOM 1223 N N . CYS A 1 164 ? 10.454 -17.095 17.148 1.00 25.90 ? 505 CYS A N 1 ATOM 1224 C CA . CYS A 1 164 ? 11.873 -16.777 17.212 1.00 26.28 ? 505 CYS A CA 1 ATOM 1225 C C . CYS A 1 164 ? 12.665 -18.087 17.196 1.00 28.07 ? 505 CYS A C 1 ATOM 1226 O O . CYS A 1 164 ? 12.173 -19.111 17.669 1.00 28.40 ? 505 CYS A O 1 ATOM 1227 C CB . CYS A 1 164 ? 12.162 -15.976 18.474 1.00 25.57 ? 505 CYS A CB 1 ATOM 1228 S SG . CYS A 1 164 ? 11.374 -14.331 18.623 1.00 26.00 ? 505 CYS A SG 1 ATOM 1229 N N . ALA A 1 165 ? 13.889 -18.066 16.671 1.00 28.29 ? 506 ALA A N 1 ATOM 1230 C CA . ALA A 1 165 ? 14.682 -19.293 16.560 1.00 28.59 ? 506 ALA A CA 1 ATOM 1231 C C . ALA A 1 165 ? 15.954 -19.389 17.394 1.00 28.89 ? 506 ALA A C 1 ATOM 1232 O O . ALA A 1 165 ? 16.559 -20.454 17.453 1.00 30.35 ? 506 ALA A O 1 ATOM 1233 C CB . ALA A 1 165 ? 15.034 -19.548 15.075 1.00 27.70 ? 506 ALA A CB 1 ATOM 1234 N N . GLY A 1 166 ? 16.377 -18.302 18.030 1.00 28.46 ? 507 GLY A N 1 ATOM 1235 C CA . GLY A 1 166 ? 17.596 -18.377 18.821 1.00 28.26 ? 507 GLY A CA 1 ATOM 1236 C C . GLY A 1 166 ? 18.830 -18.343 17.931 1.00 29.26 ? 507 GLY A C 1 ATOM 1237 O O . GLY A 1 166 ? 18.749 -17.922 16.783 1.00 26.90 ? 507 GLY A O 1 ATOM 1238 N N . ASP A 1 167 ? 19.974 -18.779 18.449 1.00 30.71 ? 508 ASP A N 1 ATOM 1239 C CA . ASP A 1 167 ? 21.211 -18.773 17.672 1.00 33.03 ? 508 ASP A CA 1 ATOM 1240 C C . ASP A 1 167 ? 21.451 -20.077 16.910 1.00 35.00 ? 508 ASP A C 1 ATOM 1241 O O . ASP A 1 167 ? 20.527 -20.860 16.674 1.00 34.10 ? 508 ASP A O 1 ATOM 1242 C CB . ASP A 1 167 ? 22.412 -18.508 18.587 1.00 33.10 ? 508 ASP A CB 1 ATOM 1243 C CG . ASP A 1 167 ? 22.641 -19.623 19.597 1.00 33.54 ? 508 ASP A CG 1 ATOM 1244 O OD1 . ASP A 1 167 ? 22.095 -20.734 19.420 1.00 32.89 ? 508 ASP A OD1 1 ATOM 1245 O OD2 . ASP A 1 167 ? 23.382 -19.390 20.570 1.00 36.00 ? 508 ASP A OD2 1 ATOM 1246 N N . ASP A 1 168 ? 22.711 -20.273 16.523 1.00 39.24 ? 509 ASP A N 1 ATOM 1247 C CA . ASP A 1 168 ? 23.196 -21.450 15.797 1.00 44.48 ? 509 ASP A CA 1 ATOM 1248 C C . ASP A 1 168 ? 22.688 -22.762 16.351 1.00 45.28 ? 509 ASP A C 1 ATOM 1249 O O . ASP A 1 168 ? 22.343 -23.683 15.607 1.00 48.21 ? 509 ASP A O 1 ATOM 1250 C CB . ASP A 1 168 ? 24.724 -21.529 15.870 1.00 48.26 ? 509 ASP A CB 1 ATOM 1251 C CG . ASP A 1 168 ? 25.410 -20.609 14.897 1.00 52.73 ? 509 ASP A CG 1 ATOM 1252 O OD1 . ASP A 1 168 ? 24.900 -20.458 13.764 1.00 55.91 ? 509 ASP A OD1 1 ATOM 1253 O OD2 . ASP A 1 168 ? 26.472 -20.051 15.258 1.00 55.71 ? 509 ASP A OD2 1 ATOM 1254 N N . GLN A 1 169 ? 22.689 -22.838 17.675 1.00 44.98 ? 510 GLN A N 1 ATOM 1255 C CA . GLN A 1 169 ? 22.300 -24.031 18.402 1.00 45.49 ? 510 GLN A CA 1 ATOM 1256 C C . GLN A 1 169 ? 20.913 -24.041 19.009 1.00 44.55 ? 510 GLN A C 1 ATOM 1257 O O . GLN A 1 169 ? 20.598 -24.921 19.813 1.00 45.13 ? 510 GLN A O 1 ATOM 1258 C CB . GLN A 1 169 ? 23.277 -24.265 19.532 1.00 47.94 ? 510 GLN A CB 1 ATOM 1259 C CG . GLN A 1 169 ? 24.611 -24.809 19.144 1.00 51.89 ? 510 GLN A CG 1 ATOM 1260 C CD . GLN A 1 169 ? 25.197 -25.581 20.295 1.00 54.82 ? 510 GLN A CD 1 ATOM 1261 O OE1 . GLN A 1 169 ? 24.632 -26.589 20.727 1.00 55.21 ? 510 GLN A OE1 1 ATOM 1262 N NE2 . GLN A 1 169 ? 26.317 -25.107 20.820 1.00 55.60 ? 510 GLN A NE2 1 ATOM 1263 N N . GLY A 1 170 ? 20.082 -23.072 18.657 1.00 43.33 ? 511 GLY A N 1 ATOM 1264 C CA . GLY A 1 170 ? 18.754 -23.047 19.237 1.00 41.03 ? 511 GLY A CA 1 ATOM 1265 C C . GLY A 1 170 ? 18.775 -22.460 20.639 1.00 41.01 ? 511 GLY A C 1 ATOM 1266 O O . GLY A 1 170 ? 17.752 -22.472 21.337 1.00 42.14 ? 511 GLY A O 1 ATOM 1267 N N . LEU A 1 171 ? 19.931 -21.951 21.070 1.00 38.38 ? 512 LEU A N 1 ATOM 1268 C CA . LEU A 1 171 ? 20.032 -21.332 22.393 1.00 35.62 ? 512 LEU A CA 1 ATOM 1269 C C . LEU A 1 171 ? 19.697 -19.847 22.265 1.00 34.18 ? 512 LEU A C 1 ATOM 1270 O O . LEU A 1 171 ? 19.787 -19.271 21.178 1.00 34.08 ? 512 LEU A O 1 ATOM 1271 C CB . LEU A 1 171 ? 21.444 -21.447 22.986 1.00 36.46 ? 512 LEU A CB 1 ATOM 1272 C CG . LEU A 1 171 ? 22.187 -22.746 23.325 1.00 36.17 ? 512 LEU A CG 1 ATOM 1273 C CD1 . LEU A 1 171 ? 23.140 -22.416 24.473 1.00 35.37 ? 512 LEU A CD1 1 ATOM 1274 C CD2 . LEU A 1 171 ? 21.231 -23.860 23.731 1.00 34.61 ? 512 LEU A CD2 1 ATOM 1275 N N . ASP A 1 172 ? 19.320 -19.236 23.381 1.00 31.97 ? 513 ASP A N 1 ATOM 1276 C CA . ASP A 1 172 ? 18.987 -17.820 23.419 1.00 31.50 ? 513 ASP A CA 1 ATOM 1277 C C . ASP A 1 172 ? 17.762 -17.401 22.618 1.00 30.55 ? 513 ASP A C 1 ATOM 1278 O O . ASP A 1 172 ? 17.690 -16.272 22.118 1.00 29.69 ? 513 ASP A O 1 ATOM 1279 C CB . ASP A 1 172 ? 20.183 -16.984 22.976 1.00 34.30 ? 513 ASP A CB 1 ATOM 1280 C CG . ASP A 1 172 ? 21.254 -16.887 24.049 1.00 36.86 ? 513 ASP A CG 1 ATOM 1281 O OD1 . ASP A 1 172 ? 20.921 -17.035 25.244 1.00 39.37 ? 513 ASP A OD1 1 ATOM 1282 O OD2 . ASP A 1 172 ? 22.427 -16.642 23.703 1.00 39.62 ? 513 ASP A OD2 1 ATOM 1283 N N . LYS A 1 173 ? 16.794 -18.303 22.515 1.00 27.81 ? 514 LYS A N 1 ATOM 1284 C CA . LYS A 1 173 ? 15.565 -18.019 21.796 1.00 26.45 ? 514 LYS A CA 1 ATOM 1285 C C . LYS A 1 173 ? 14.912 -16.763 22.371 1.00 26.03 ? 514 LYS A C 1 ATOM 1286 O O . LYS A 1 173 ? 14.711 -16.653 23.584 1.00 24.27 ? 514 LYS A O 1 ATOM 1287 C CB . LYS A 1 173 ? 14.600 -19.208 21.919 1.00 29.59 ? 514 LYS A CB 1 ATOM 1288 C CG . LYS A 1 173 ? 13.287 -19.078 21.145 1.00 29.45 ? 514 LYS A CG 1 ATOM 1289 C CD . LYS A 1 173 ? 12.250 -20.083 21.672 1.00 31.95 ? 514 LYS A CD 1 ATOM 1290 C CE . LYS A 1 173 ? 10.888 -19.969 20.974 1.00 34.59 ? 514 LYS A CE 1 ATOM 1291 N NZ . LYS A 1 173 ? 10.887 -20.495 19.576 1.00 34.67 ? 514 LYS A NZ 1 ATOM 1292 N N . CYS A 1 174 ? 14.618 -15.809 21.493 1.00 23.90 ? 515 CYS A N 1 ATOM 1293 C CA . CYS A 1 174 ? 13.949 -14.563 21.858 1.00 22.97 ? 515 CYS A CA 1 ATOM 1294 C C . CYS A 1 174 ? 14.751 -13.505 22.618 1.00 23.13 ? 515 CYS A C 1 ATOM 1295 O O . CYS A 1 174 ? 14.168 -12.529 23.088 1.00 22.85 ? 515 CYS A O 1 ATOM 1296 C CB . CYS A 1 174 ? 12.672 -14.868 22.648 1.00 21.05 ? 515 CYS A CB 1 ATOM 1297 S SG . CYS A 1 174 ? 11.260 -13.821 22.178 1.00 21.90 ? 515 CYS A SG 1 ATOM 1298 N N . VAL A 1 175 ? 16.064 -13.663 22.752 1.00 23.90 ? 516 VAL A N 1 ATOM 1299 C CA . VAL A 1 175 ? 16.807 -12.635 23.462 1.00 25.82 ? 516 VAL A CA 1 ATOM 1300 C C . VAL A 1 175 ? 16.869 -11.408 22.569 1.00 24.41 ? 516 VAL A C 1 ATOM 1301 O O . VAL A 1 175 ? 16.938 -11.522 21.351 1.00 23.45 ? 516 VAL A O 1 ATOM 1302 C CB . VAL A 1 175 ? 18.243 -13.061 23.823 1.00 28.90 ? 516 VAL A CB 1 ATOM 1303 C CG1 . VAL A 1 175 ? 18.211 -14.302 24.701 1.00 31.14 ? 516 VAL A CG1 1 ATOM 1304 C CG2 . VAL A 1 175 ? 19.058 -13.288 22.550 1.00 28.25 ? 516 VAL A CG2 1 ATOM 1305 N N . PRO A 1 176 ? 16.834 -10.212 23.169 1.00 24.62 ? 517 PRO A N 1 ATOM 1306 C CA . PRO A 1 176 ? 16.884 -8.992 22.359 1.00 23.36 ? 517 PRO A CA 1 ATOM 1307 C C . PRO A 1 176 ? 18.289 -8.490 22.034 1.00 25.40 ? 517 PRO A C 1 ATOM 1308 O O . PRO A 1 176 ? 18.703 -7.413 22.478 1.00 24.55 ? 517 PRO A O 1 ATOM 1309 C CB . PRO A 1 176 ? 16.054 -8.000 23.175 1.00 22.58 ? 517 PRO A CB 1 ATOM 1310 C CG . PRO A 1 176 ? 16.350 -8.420 24.614 1.00 22.21 ? 517 PRO A CG 1 ATOM 1311 C CD . PRO A 1 176 ? 16.557 -9.924 24.591 1.00 21.36 ? 517 PRO A CD 1 ATOM 1312 N N . ASN A 1 177 ? 19.028 -9.311 21.291 1.00 25.41 ? 518 ASN A N 1 ATOM 1313 C CA . ASN A 1 177 ? 20.358 -8.974 20.796 1.00 25.56 ? 518 ASN A CA 1 ATOM 1314 C C . ASN A 1 177 ? 20.554 -9.807 19.533 1.00 27.05 ? 518 ASN A C 1 ATOM 1315 O O . ASN A 1 177 ? 19.750 -10.697 19.252 1.00 27.03 ? 518 ASN A O 1 ATOM 1316 C CB . ASN A 1 177 ? 21.476 -9.171 21.852 1.00 24.68 ? 518 ASN A CB 1 ATOM 1317 C CG . ASN A 1 177 ? 21.795 -10.611 22.156 1.00 23.82 ? 518 ASN A CG 1 ATOM 1318 O OD1 . ASN A 1 177 ? 21.953 -11.442 21.256 1.00 24.73 ? 518 ASN A OD1 1 ATOM 1319 N ND2 . ASN A 1 177 ? 21.940 -10.909 23.447 1.00 22.96 ? 518 ASN A ND2 1 ATOM 1320 N N . SER A 1 178 ? 21.587 -9.502 18.752 1.00 27.92 ? 519 SER A N 1 ATOM 1321 C CA . SER A 1 178 ? 21.822 -10.184 17.482 1.00 27.36 ? 519 SER A CA 1 ATOM 1322 C C . SER A 1 178 ? 22.047 -11.687 17.509 1.00 29.44 ? 519 SER A C 1 ATOM 1323 O O . SER A 1 178 ? 22.154 -12.309 16.448 1.00 29.78 ? 519 SER A O 1 ATOM 1324 C CB . SER A 1 178 ? 22.979 -9.519 16.739 1.00 27.36 ? 519 SER A CB 1 ATOM 1325 O OG . SER A 1 178 ? 24.200 -9.672 17.445 1.00 27.39 ? 519 SER A OG 1 ATOM 1326 N N . LYS A 1 179 ? 22.177 -12.294 18.656 1.00 28.28 ? 520 LYS A N 1 ATOM 1327 C CA . LYS A 1 179 ? 22.307 -13.697 18.738 1.00 29.46 ? 520 LYS A CA 1 ATOM 1328 C C . LYS A 1 179 ? 21.054 -14.367 18.231 1.00 28.17 ? 520 LYS A C 1 ATOM 1329 O O . LYS A 1 179 ? 21.145 -15.385 17.637 1.00 27.59 ? 520 LYS A O 1 ATOM 1330 C CB . LYS A 1 179 ? 22.665 -14.150 20.133 1.00 32.13 ? 520 LYS A CB 1 ATOM 1331 C CG . LYS A 1 179 ? 24.088 -14.148 20.414 1.00 36.19 ? 520 LYS A CG 1 ATOM 1332 C CD . LYS A 1 179 ? 24.360 -14.948 21.613 1.00 39.92 ? 520 LYS A CD 1 ATOM 1333 C CE . LYS A 1 179 ? 24.183 -16.400 21.297 1.00 41.81 ? 520 LYS A CE 1 ATOM 1334 N NZ . LYS A 1 179 ? 24.329 -17.277 22.432 1.00 43.69 ? 520 LYS A NZ 1 ATOM 1335 N N . GLU A 1 180 ? 19.902 -13.754 18.501 1.00 26.06 ? 521 GLU A N 1 ATOM 1336 C CA . GLU A 1 180 ? 18.600 -14.234 18.042 1.00 24.75 ? 521 GLU A CA 1 ATOM 1337 C C . GLU A 1 180 ? 18.554 -13.982 16.541 1.00 23.89 ? 521 GLU A C 1 ATOM 1338 O O . GLU A 1 180 ? 18.780 -12.865 16.070 1.00 24.67 ? 521 GLU A O 1 ATOM 1339 C CB . GLU A 1 180 ? 17.464 -13.476 18.753 1.00 22.23 ? 521 GLU A CB 1 ATOM 1340 C CG . GLU A 1 180 ? 16.079 -13.509 18.064 1.00 23.06 ? 521 GLU A CG 1 ATOM 1341 C CD . GLU A 1 180 ? 15.506 -14.920 17.848 1.00 23.76 ? 521 GLU A CD 1 ATOM 1342 O OE1 . GLU A 1 180 ? 15.306 -15.670 18.836 1.00 22.28 ? 521 GLU A OE1 1 ATOM 1343 O OE2 . GLU A 1 180 ? 15.254 -15.284 16.675 1.00 21.08 ? 521 GLU A OE2 1 ATOM 1344 N N . LYS A 1 181 ? 18.279 -15.040 15.799 1.00 23.76 ? 522 LYS A N 1 ATOM 1345 C CA . LYS A 1 181 ? 18.209 -14.996 14.350 1.00 24.89 ? 522 LYS A CA 1 ATOM 1346 C C . LYS A 1 181 ? 17.275 -13.935 13.764 1.00 25.29 ? 522 LYS A C 1 ATOM 1347 O O . LYS A 1 181 ? 17.606 -13.300 12.758 1.00 26.20 ? 522 LYS A O 1 ATOM 1348 C CB . LYS A 1 181 ? 17.794 -16.379 13.851 1.00 24.88 ? 522 LYS A CB 1 ATOM 1349 C CG . LYS A 1 181 ? 17.707 -16.546 12.356 1.00 25.10 ? 522 LYS A CG 1 ATOM 1350 C CD . LYS A 1 181 ? 17.246 -17.961 12.056 1.00 30.69 ? 522 LYS A CD 1 ATOM 1351 C CE . LYS A 1 181 ? 17.174 -18.252 10.570 1.00 32.72 ? 522 LYS A CE 1 ATOM 1352 N NZ . LYS A 1 181 ? 16.885 -19.707 10.365 1.00 38.84 ? 522 LYS A NZ 1 ATOM 1353 N N . TYR A 1 182 ? 16.117 -13.738 14.387 1.00 24.87 ? 523 TYR A N 1 ATOM 1354 C CA . TYR A 1 182 ? 15.135 -12.781 13.882 1.00 24.97 ? 523 TYR A CA 1 ATOM 1355 C C . TYR A 1 182 ? 15.039 -11.454 14.660 1.00 24.33 ? 523 TYR A C 1 ATOM 1356 O O . TYR A 1 182 ? 13.967 -10.852 14.764 1.00 24.30 ? 523 TYR A O 1 ATOM 1357 C CB . TYR A 1 182 ? 13.762 -13.473 13.819 1.00 21.84 ? 523 TYR A CB 1 ATOM 1358 C CG . TYR A 1 182 ? 13.737 -14.712 12.930 1.00 22.10 ? 523 TYR A CG 1 ATOM 1359 C CD1 . TYR A 1 182 ? 14.289 -14.680 11.655 1.00 22.24 ? 523 TYR A CD1 1 ATOM 1360 C CD2 . TYR A 1 182 ? 13.148 -15.904 13.359 1.00 22.08 ? 523 TYR A CD2 1 ATOM 1361 C CE1 . TYR A 1 182 ? 14.262 -15.792 10.823 1.00 21.34 ? 523 TYR A CE1 1 ATOM 1362 C CE2 . TYR A 1 182 ? 13.114 -17.032 12.534 1.00 24.50 ? 523 TYR A CE2 1 ATOM 1363 C CZ . TYR A 1 182 ? 13.678 -16.964 11.265 1.00 25.75 ? 523 TYR A CZ 1 ATOM 1364 O OH . TYR A 1 182 ? 13.678 -18.068 10.436 1.00 24.05 ? 523 TYR A OH 1 ATOM 1365 N N . TYR A 1 183 ? 16.172 -10.998 15.184 1.00 24.35 ? 524 TYR A N 1 ATOM 1366 C CA . TYR A 1 183 ? 16.240 -9.751 15.946 1.00 23.74 ? 524 TYR A CA 1 ATOM 1367 C C . TYR A 1 183 ? 16.538 -8.541 15.058 1.00 24.32 ? 524 TYR A C 1 ATOM 1368 O O . TYR A 1 183 ? 17.235 -8.652 14.046 1.00 23.35 ? 524 TYR A O 1 ATOM 1369 C CB . TYR A 1 183 ? 17.331 -9.840 17.037 1.00 21.49 ? 524 TYR A CB 1 ATOM 1370 C CG . TYR A 1 183 ? 17.608 -8.522 17.759 1.00 20.38 ? 524 TYR A CG 1 ATOM 1371 C CD1 . TYR A 1 183 ? 16.758 -8.054 18.767 1.00 20.21 ? 524 TYR A CD1 1 ATOM 1372 C CD2 . TYR A 1 183 ? 18.690 -7.721 17.395 1.00 20.96 ? 524 TYR A CD2 1 ATOM 1373 C CE1 . TYR A 1 183 ? 16.979 -6.813 19.389 1.00 21.19 ? 524 TYR A CE1 1 ATOM 1374 C CE2 . TYR A 1 183 ? 18.922 -6.481 18.010 1.00 20.06 ? 524 TYR A CE2 1 ATOM 1375 C CZ . TYR A 1 183 ? 18.056 -6.038 19.003 1.00 20.08 ? 524 TYR A CZ 1 ATOM 1376 O OH . TYR A 1 183 ? 18.242 -4.812 19.598 1.00 22.97 ? 524 TYR A OH 1 ATOM 1377 N N . GLY A 1 184 ? 16.013 -7.385 15.460 1.00 24.04 ? 525 GLY A N 1 ATOM 1378 C CA . GLY A 1 184 ? 16.258 -6.157 14.730 1.00 23.25 ? 525 GLY A CA 1 ATOM 1379 C C . GLY A 1 184 ? 15.630 -6.043 13.357 1.00 24.23 ? 525 GLY A C 1 ATOM 1380 O O . GLY A 1 184 ? 14.901 -6.931 12.911 1.00 23.09 ? 525 GLY A O 1 ATOM 1381 N N . TYR A 1 185 ? 15.919 -4.931 12.688 1.00 21.18 ? 526 TYR A N 1 ATOM 1382 C CA . TYR A 1 185 ? 15.396 -4.677 11.356 1.00 21.99 ? 526 TYR A CA 1 ATOM 1383 C C . TYR A 1 185 ? 15.628 -5.850 10.410 1.00 22.03 ? 526 TYR A C 1 ATOM 1384 O O . TYR A 1 185 ? 14.693 -6.365 9.806 1.00 21.93 ? 526 TYR A O 1 ATOM 1385 C CB . TYR A 1 185 ? 16.047 -3.429 10.765 1.00 19.50 ? 526 TYR A CB 1 ATOM 1386 C CG . TYR A 1 185 ? 15.742 -2.141 11.489 1.00 20.15 ? 526 TYR A CG 1 ATOM 1387 C CD1 . TYR A 1 185 ? 14.429 -1.677 11.613 1.00 19.42 ? 526 TYR A CD1 1 ATOM 1388 C CD2 . TYR A 1 185 ? 16.774 -1.354 11.999 1.00 18.80 ? 526 TYR A CD2 1 ATOM 1389 C CE1 . TYR A 1 185 ? 14.154 -0.459 12.223 1.00 19.44 ? 526 TYR A CE1 1 ATOM 1390 C CE2 . TYR A 1 185 ? 16.515 -0.138 12.608 1.00 18.92 ? 526 TYR A CE2 1 ATOM 1391 C CZ . TYR A 1 185 ? 15.202 0.305 12.719 1.00 21.34 ? 526 TYR A CZ 1 ATOM 1392 O OH . TYR A 1 185 ? 14.943 1.501 13.341 1.00 17.52 ? 526 TYR A OH 1 ATOM 1393 N N . THR A 1 186 ? 16.885 -6.256 10.282 1.00 22.80 ? 527 THR A N 1 ATOM 1394 C CA . THR A 1 186 ? 17.264 -7.357 9.399 1.00 25.78 ? 527 THR A CA 1 ATOM 1395 C C . THR A 1 186 ? 16.665 -8.701 9.795 1.00 24.80 ? 527 THR A C 1 ATOM 1396 O O . THR A 1 186 ? 16.215 -9.451 8.927 1.00 24.62 ? 527 THR A O 1 ATOM 1397 C CB . THR A 1 186 ? 18.801 -7.475 9.319 1.00 26.28 ? 527 THR A CB 1 ATOM 1398 O OG1 . THR A 1 186 ? 19.329 -6.253 8.795 1.00 28.54 ? 527 THR A OG1 1 ATOM 1399 C CG2 . THR A 1 186 ? 19.221 -8.602 8.382 1.00 29.61 ? 527 THR A CG2 1 ATOM 1400 N N . GLY A 1 187 ? 16.649 -8.997 11.096 1.00 23.46 ? 528 GLY A N 1 ATOM 1401 C CA . GLY A 1 187 ? 16.090 -10.257 11.565 1.00 20.99 ? 528 GLY A CA 1 ATOM 1402 C C . GLY A 1 187 ? 14.593 -10.389 11.334 1.00 21.47 ? 528 GLY A C 1 ATOM 1403 O O . GLY A 1 187 ? 14.103 -11.439 10.898 1.00 23.54 ? 528 GLY A O 1 ATOM 1404 N N . ALA A 1 188 ? 13.855 -9.326 11.631 1.00 18.83 ? 529 ALA A N 1 ATOM 1405 C CA . ALA A 1 188 ? 12.412 -9.328 11.445 1.00 20.95 ? 529 ALA A CA 1 ATOM 1406 C C . ALA A 1 188 ? 12.066 -9.446 9.967 1.00 21.77 ? 529 ALA A C 1 ATOM 1407 O O . ALA A 1 188 ? 11.096 -10.101 9.608 1.00 24.87 ? 529 ALA A O 1 ATOM 1408 C CB . ALA A 1 188 ? 11.806 -8.065 12.023 1.00 18.91 ? 529 ALA A CB 1 ATOM 1409 N N . PHE A 1 189 ? 12.856 -8.817 9.105 1.00 21.52 ? 530 PHE A N 1 ATOM 1410 C CA . PHE A 1 189 ? 12.583 -8.905 7.684 1.00 23.02 ? 530 PHE A CA 1 ATOM 1411 C C . PHE A 1 189 ? 12.881 -10.326 7.210 1.00 24.13 ? 530 PHE A C 1 ATOM 1412 O O . PHE A 1 189 ? 12.191 -10.852 6.336 1.00 25.63 ? 530 PHE A O 1 ATOM 1413 C CB . PHE A 1 189 ? 13.417 -7.887 6.885 1.00 24.27 ? 530 PHE A CB 1 ATOM 1414 C CG . PHE A 1 189 ? 13.101 -7.877 5.413 1.00 25.36 ? 530 PHE A CG 1 ATOM 1415 C CD1 . PHE A 1 189 ? 11.862 -7.447 4.961 1.00 27.07 ? 530 PHE A CD1 1 ATOM 1416 C CD2 . PHE A 1 189 ? 14.014 -8.353 4.487 1.00 26.31 ? 530 PHE A CD2 1 ATOM 1417 C CE1 . PHE A 1 189 ? 11.536 -7.491 3.614 1.00 26.61 ? 530 PHE A CE1 1 ATOM 1418 C CE2 . PHE A 1 189 ? 13.692 -8.399 3.133 1.00 26.99 ? 530 PHE A CE2 1 ATOM 1419 C CZ . PHE A 1 189 ? 12.448 -7.968 2.701 1.00 28.19 ? 530 PHE A CZ 1 ATOM 1420 N N . ARG A 1 190 ? 13.899 -10.952 7.797 1.00 23.67 ? 531 ARG A N 1 ATOM 1421 C CA . ARG A 1 190 ? 14.281 -12.320 7.436 1.00 24.13 ? 531 ARG A CA 1 ATOM 1422 C C . ARG A 1 190 ? 13.149 -13.276 7.799 1.00 24.41 ? 531 ARG A C 1 ATOM 1423 O O . ARG A 1 190 ? 12.872 -14.251 7.101 1.00 23.93 ? 531 ARG A O 1 ATOM 1424 C CB . ARG A 1 190 ? 15.557 -12.731 8.180 1.00 26.05 ? 531 ARG A CB 1 ATOM 1425 C CG . ARG A 1 190 ? 16.071 -14.089 7.764 1.00 27.40 ? 531 ARG A CG 1 ATOM 1426 C CD . ARG A 1 190 ? 17.255 -14.557 8.577 1.00 28.58 ? 531 ARG A CD 1 ATOM 1427 N NE . ARG A 1 190 ? 17.692 -15.874 8.114 1.00 32.43 ? 531 ARG A NE 1 ATOM 1428 C CZ . ARG A 1 190 ? 18.873 -16.420 8.375 1.00 33.81 ? 531 ARG A CZ 1 ATOM 1429 N NH1 . ARG A 1 190 ? 19.758 -15.761 9.108 1.00 35.06 ? 531 ARG A NH1 1 ATOM 1430 N NH2 . ARG A 1 190 ? 19.168 -17.618 7.890 1.00 34.34 ? 531 ARG A NH2 1 ATOM 1431 N N . CYS A 1 191 ? 12.505 -12.965 8.914 1.00 24.86 ? 532 CYS A N 1 ATOM 1432 C CA . CYS A 1 191 ? 11.381 -13.720 9.455 1.00 24.30 ? 532 CYS A CA 1 ATOM 1433 C C . CYS A 1 191 ? 10.233 -13.728 8.443 1.00 26.19 ? 532 CYS A C 1 ATOM 1434 O O . CYS A 1 191 ? 9.525 -14.733 8.289 1.00 24.35 ? 532 CYS A O 1 ATOM 1435 C CB . CYS A 1 191 ? 10.979 -13.056 10.767 1.00 22.11 ? 532 CYS A CB 1 ATOM 1436 S SG . CYS A 1 191 ? 9.432 -13.505 11.617 1.00 23.87 ? 532 CYS A SG 1 ATOM 1437 N N . LEU A 1 192 ? 10.061 -12.610 7.741 1.00 26.30 ? 533 LEU A N 1 ATOM 1438 C CA . LEU A 1 192 ? 9.024 -12.505 6.720 1.00 27.71 ? 533 LEU A CA 1 ATOM 1439 C C . LEU A 1 192 ? 9.482 -13.219 5.437 1.00 29.48 ? 533 LEU A C 1 ATOM 1440 O O . LEU A 1 192 ? 8.735 -13.990 4.832 1.00 29.33 ? 533 LEU A O 1 ATOM 1441 C CB . LEU A 1 192 ? 8.726 -11.028 6.403 1.00 28.47 ? 533 LEU A CB 1 ATOM 1442 C CG . LEU A 1 192 ? 7.861 -10.774 5.157 1.00 27.94 ? 533 LEU A CG 1 ATOM 1443 C CD1 . LEU A 1 192 ? 6.407 -11.189 5.443 1.00 25.04 ? 533 LEU A CD1 1 ATOM 1444 C CD2 . LEU A 1 192 ? 7.932 -9.287 4.774 1.00 26.64 ? 533 LEU A CD2 1 ATOM 1445 N N . ALA A 1 193 ? 10.717 -12.947 5.032 1.00 30.55 ? 534 ALA A N 1 ATOM 1446 C CA . ALA A 1 193 ? 11.290 -13.529 3.824 1.00 31.89 ? 534 ALA A CA 1 ATOM 1447 C C . ALA A 1 193 ? 11.288 -15.056 3.844 1.00 33.39 ? 534 ALA A C 1 ATOM 1448 O O . ALA A 1 193 ? 11.117 -15.696 2.801 1.00 35.86 ? 534 ALA A O 1 ATOM 1449 C CB . ALA A 1 193 ? 12.707 -13.014 3.626 1.00 30.06 ? 534 ALA A CB 1 ATOM 1450 N N . GLU A 1 194 ? 11.456 -15.650 5.020 1.00 32.72 ? 535 GLU A N 1 ATOM 1451 C CA . GLU A 1 194 ? 11.473 -17.108 5.109 1.00 32.33 ? 535 GLU A CA 1 ATOM 1452 C C . GLU A 1 194 ? 10.089 -17.692 5.373 1.00 32.94 ? 535 GLU A C 1 ATOM 1453 O O . GLU A 1 194 ? 9.942 -18.891 5.618 1.00 33.45 ? 535 GLU A O 1 ATOM 1454 C CB . GLU A 1 194 ? 12.465 -17.558 6.185 1.00 32.60 ? 535 GLU A CB 1 ATOM 1455 C CG . GLU A 1 194 ? 13.915 -17.250 5.829 1.00 33.64 ? 535 GLU A CG 1 ATOM 1456 C CD . GLU A 1 194 ? 14.897 -17.692 6.897 1.00 34.03 ? 535 GLU A CD 1 ATOM 1457 O OE1 . GLU A 1 194 ? 14.455 -18.019 8.016 1.00 33.69 ? 535 GLU A OE1 1 ATOM 1458 O OE2 . GLU A 1 194 ? 16.115 -17.701 6.618 1.00 36.33 ? 535 GLU A OE2 1 ATOM 1459 N N . ASP A 1 195 ? 9.079 -16.832 5.301 1.00 32.91 ? 536 ASP A N 1 ATOM 1460 C CA . ASP A 1 195 ? 7.689 -17.223 5.502 1.00 33.02 ? 536 ASP A CA 1 ATOM 1461 C C . ASP A 1 195 ? 7.377 -17.799 6.858 1.00 31.48 ? 536 ASP A C 1 ATOM 1462 O O . ASP A 1 195 ? 6.516 -18.671 6.980 1.00 31.27 ? 536 ASP A O 1 ATOM 1463 C CB . ASP A 1 195 ? 7.243 -18.211 4.414 1.00 34.44 ? 536 ASP A CB 1 ATOM 1464 C CG . ASP A 1 195 ? 7.303 -17.600 3.022 1.00 37.17 ? 536 ASP A CG 1 ATOM 1465 O OD1 . ASP A 1 195 ? 6.716 -16.512 2.827 1.00 37.04 ? 536 ASP A OD1 1 ATOM 1466 O OD2 . ASP A 1 195 ? 7.943 -18.193 2.125 1.00 40.45 ? 536 ASP A OD2 1 ATOM 1467 N N . VAL A 1 196 ? 8.083 -17.323 7.876 1.00 29.87 ? 537 VAL A N 1 ATOM 1468 C CA . VAL A 1 196 ? 7.837 -17.761 9.240 1.00 26.58 ? 537 VAL A CA 1 ATOM 1469 C C . VAL A 1 196 ? 6.687 -16.878 9.759 1.00 27.32 ? 537 VAL A C 1 ATOM 1470 O O . VAL A 1 196 ? 5.829 -17.327 10.520 1.00 27.43 ? 537 VAL A O 1 ATOM 1471 C CB . VAL A 1 196 ? 9.106 -17.571 10.108 1.00 28.92 ? 537 VAL A CB 1 ATOM 1472 C CG1 . VAL A 1 196 ? 8.751 -17.617 11.587 1.00 25.66 ? 537 VAL A CG1 1 ATOM 1473 C CG2 . VAL A 1 196 ? 10.121 -18.653 9.782 1.00 25.95 ? 537 VAL A CG2 1 ATOM 1474 N N . GLY A 1 197 ? 6.680 -15.622 9.307 1.00 25.22 ? 538 GLY A N 1 ATOM 1475 C CA . GLY A 1 197 ? 5.645 -14.679 9.686 1.00 24.10 ? 538 GLY A CA 1 ATOM 1476 C C . GLY A 1 197 ? 4.861 -14.168 8.487 1.00 25.40 ? 538 GLY A C 1 ATOM 1477 O O . GLY A 1 197 ? 5.276 -14.328 7.334 1.00 23.07 ? 538 GLY A O 1 ATOM 1478 N N . ASP A 1 198 ? 3.709 -13.560 8.745 1.00 26.71 ? 539 ASP A N 1 ATOM 1479 C CA . ASP A 1 198 ? 2.887 -13.020 7.667 1.00 26.94 ? 539 ASP A CA 1 ATOM 1480 C C . ASP A 1 198 ? 3.224 -11.555 7.383 1.00 28.53 ? 539 ASP A C 1 ATOM 1481 O O . ASP A 1 198 ? 3.102 -11.092 6.248 1.00 29.29 ? 539 ASP A O 1 ATOM 1482 C CB . ASP A 1 198 ? 1.402 -13.165 8.016 1.00 28.94 ? 539 ASP A CB 1 ATOM 1483 C CG . ASP A 1 198 ? 0.932 -14.619 7.998 1.00 30.13 ? 539 ASP A CG 1 ATOM 1484 O OD1 . ASP A 1 198 ? 0.960 -15.253 6.918 1.00 30.07 ? 539 ASP A OD1 1 ATOM 1485 O OD2 . ASP A 1 198 ? 0.533 -15.131 9.067 1.00 29.49 ? 539 ASP A OD2 1 ATOM 1486 N N . VAL A 1 199 ? 3.644 -10.835 8.420 1.00 28.23 ? 540 VAL A N 1 ATOM 1487 C CA . VAL A 1 199 ? 3.996 -9.430 8.294 1.00 26.46 ? 540 VAL A CA 1 ATOM 1488 C C . VAL A 1 199 ? 5.204 -9.062 9.152 1.00 26.62 ? 540 VAL A C 1 ATOM 1489 O O . VAL A 1 199 ? 5.403 -9.609 10.237 1.00 27.58 ? 540 VAL A O 1 ATOM 1490 C CB . VAL A 1 199 ? 2.815 -8.534 8.716 1.00 27.85 ? 540 VAL A CB 1 ATOM 1491 C CG1 . VAL A 1 199 ? 2.344 -8.925 10.120 1.00 25.62 ? 540 VAL A CG1 1 ATOM 1492 C CG2 . VAL A 1 199 ? 3.228 -7.073 8.673 1.00 24.35 ? 540 VAL A CG2 1 ATOM 1493 N N . ALA A 1 200 ? 6.022 -8.152 8.642 1.00 25.55 ? 541 ALA A N 1 ATOM 1494 C CA . ALA A 1 200 ? 7.192 -7.689 9.364 1.00 24.89 ? 541 ALA A CA 1 ATOM 1495 C C . ALA A 1 200 ? 7.011 -6.204 9.643 1.00 25.52 ? 541 ALA A C 1 ATOM 1496 O O . ALA A 1 200 ? 6.548 -5.453 8.784 1.00 26.67 ? 541 ALA A O 1 ATOM 1497 C CB . ALA A 1 200 ? 8.449 -7.914 8.534 1.00 23.68 ? 541 ALA A CB 1 ATOM 1498 N N . PHE A 1 201 ? 7.349 -5.780 10.854 1.00 25.46 ? 542 PHE A N 1 ATOM 1499 C CA . PHE A 1 201 ? 7.244 -4.374 11.209 1.00 24.86 ? 542 PHE A CA 1 ATOM 1500 C C . PHE A 1 201 ? 8.669 -3.841 11.284 1.00 25.37 ? 542 PHE A C 1 ATOM 1501 O O . PHE A 1 201 ? 9.375 -4.026 12.281 1.00 23.68 ? 542 PHE A O 1 ATOM 1502 C CB . PHE A 1 201 ? 6.503 -4.228 12.536 1.00 25.39 ? 542 PHE A CB 1 ATOM 1503 C CG . PHE A 1 201 ? 5.045 -4.597 12.445 1.00 24.81 ? 542 PHE A CG 1 ATOM 1504 C CD1 . PHE A 1 201 ? 4.153 -3.779 11.757 1.00 24.55 ? 542 PHE A CD1 1 ATOM 1505 C CD2 . PHE A 1 201 ? 4.567 -5.766 13.024 1.00 23.20 ? 542 PHE A CD2 1 ATOM 1506 C CE1 . PHE A 1 201 ? 2.807 -4.120 11.646 1.00 25.08 ? 542 PHE A CE1 1 ATOM 1507 C CE2 . PHE A 1 201 ? 3.225 -6.116 12.919 1.00 25.34 ? 542 PHE A CE2 1 ATOM 1508 C CZ . PHE A 1 201 ? 2.340 -5.288 12.228 1.00 24.85 ? 542 PHE A CZ 1 ATOM 1509 N N . VAL A 1 202 ? 9.089 -3.201 10.196 1.00 23.73 ? 543 VAL A N 1 ATOM 1510 C CA . VAL A 1 202 ? 10.437 -2.666 10.071 1.00 23.14 ? 543 VAL A CA 1 ATOM 1511 C C . VAL A 1 202 ? 10.388 -1.251 9.507 1.00 23.93 ? 543 VAL A C 1 ATOM 1512 O O . VAL A 1 202 ? 9.381 -0.556 9.644 1.00 25.91 ? 543 VAL A O 1 ATOM 1513 C CB . VAL A 1 202 ? 11.246 -3.572 9.128 1.00 22.14 ? 543 VAL A CB 1 ATOM 1514 C CG1 . VAL A 1 202 ? 11.329 -4.981 9.718 1.00 23.40 ? 543 VAL A CG1 1 ATOM 1515 C CG2 . VAL A 1 202 ? 10.560 -3.645 7.776 1.00 22.82 ? 543 VAL A CG2 1 ATOM 1516 N N . LYS A 1 203 ? 11.470 -0.802 8.891 1.00 23.02 ? 544 LYS A N 1 ATOM 1517 C CA . LYS A 1 203 ? 11.441 0.531 8.319 1.00 24.72 ? 544 LYS A CA 1 ATOM 1518 C C . LYS A 1 203 ? 11.580 0.395 6.825 1.00 25.49 ? 544 LYS A C 1 ATOM 1519 O O . LYS A 1 203 ? 11.981 -0.649 6.302 1.00 25.45 ? 544 LYS A O 1 ATOM 1520 C CB . LYS A 1 203 ? 12.561 1.401 8.880 1.00 22.74 ? 544 LYS A CB 1 ATOM 1521 C CG . LYS A 1 203 ? 13.938 0.826 8.697 1.00 21.09 ? 544 LYS A CG 1 ATOM 1522 C CD . LYS A 1 203 ? 14.961 1.771 9.255 1.00 18.80 ? 544 LYS A CD 1 ATOM 1523 C CE . LYS A 1 203 ? 16.358 1.247 9.035 1.00 17.06 ? 544 LYS A CE 1 ATOM 1524 N NZ . LYS A 1 203 ? 17.325 2.139 9.724 1.00 20.03 ? 544 LYS A NZ 1 ATOM 1525 N N . ASN A 1 204 ? 11.357 1.480 6.098 1.00 27.96 ? 545 ASN A N 1 ATOM 1526 C CA . ASN A 1 204 ? 11.448 1.514 4.644 1.00 29.07 ? 545 ASN A CA 1 ATOM 1527 C C . ASN A 1 204 ? 12.777 1.052 4.155 1.00 29.18 ? 545 ASN A C 1 ATOM 1528 O O . ASN A 1 204 ? 12.885 0.342 3.230 1.00 27.79 ? 545 ASN A O 1 ATOM 1529 C CB . ASN A 1 204 ? 11.220 2.912 4.060 1.00 32.09 ? 545 ASN A CB 1 ATOM 1530 C CG . ASN A 1 204 ? 11.729 3.054 2.612 1.00 34.83 ? 545 ASN A CG 1 ATOM 1531 O OD1 . ASN A 1 204 ? 11.166 2.503 1.727 1.00 34.92 ? 545 ASN A OD1 1 ATOM 1532 N ND2 . ASN A 1 204 ? 12.806 3.759 2.403 1.00 34.57 ? 545 ASN A ND2 1 ATOM 1533 N N . ASP A 1 205 ? 13.799 1.508 4.798 1.00 28.85 ? 546 ASP A N 1 ATOM 1534 C CA . ASP A 1 205 ? 15.160 1.282 4.317 1.00 29.87 ? 546 ASP A CA 1 ATOM 1535 C C . ASP A 1 205 ? 15.515 -0.230 4.351 1.00 29.98 ? 546 ASP A C 1 ATOM 1536 O O . ASP A 1 205 ? 16.207 -0.748 3.465 1.00 30.18 ? 546 ASP A O 1 ATOM 1537 C CB . ASP A 1 205 ? 16.146 2.129 5.151 1.00 33.17 ? 546 ASP A CB 1 ATOM 1538 C CG . ASP A 1 205 ? 15.782 3.641 5.160 1.00 41.75 ? 546 ASP A CG 1 ATOM 1539 O OD1 . ASP A 1 205 ? 14.803 4.070 5.833 1.00 40.09 ? 546 ASP A OD1 1 ATOM 1540 O OD2 . ASP A 1 205 ? 16.483 4.416 4.473 1.00 46.26 ? 546 ASP A OD2 1 ATOM 1541 N N . THR A 1 206 ? 15.010 -0.943 5.354 1.00 28.36 ? 547 THR A N 1 ATOM 1542 C CA . THR A 1 206 ? 15.267 -2.390 5.488 1.00 26.70 ? 547 THR A CA 1 ATOM 1543 C C . THR A 1 206 ? 14.891 -3.222 4.254 1.00 27.97 ? 547 THR A C 1 ATOM 1544 O O . THR A 1 206 ? 15.622 -4.136 3.860 1.00 27.27 ? 547 THR A O 1 ATOM 1545 C CB . THR A 1 206 ? 14.492 -3.009 6.681 1.00 23.40 ? 547 THR A CB 1 ATOM 1546 O OG1 . THR A 1 206 ? 14.779 -2.275 7.872 1.00 23.16 ? 547 THR A OG1 1 ATOM 1547 C CG2 . THR A 1 206 ? 14.889 -4.478 6.883 1.00 21.50 ? 547 THR A CG2 1 ATOM 1548 N N . VAL A 1 207 ? 13.727 -2.929 3.682 1.00 28.71 ? 548 VAL A N 1 ATOM 1549 C CA . VAL A 1 207 ? 13.230 -3.629 2.500 1.00 31.00 ? 548 VAL A CA 1 ATOM 1550 C C . VAL A 1 207 ? 14.179 -3.457 1.313 1.00 31.87 ? 548 VAL A C 1 ATOM 1551 O O . VAL A 1 207 ? 14.532 -4.428 0.642 1.00 31.64 ? 548 VAL A O 1 ATOM 1552 C CB . VAL A 1 207 ? 11.813 -3.108 2.120 1.00 31.71 ? 548 VAL A CB 1 ATOM 1553 C CG1 . VAL A 1 207 ? 11.360 -3.721 0.802 1.00 31.91 ? 548 VAL A CG1 1 ATOM 1554 C CG2 . VAL A 1 207 ? 10.814 -3.441 3.228 1.00 31.14 ? 548 VAL A CG2 1 ATOM 1555 N N . TRP A 1 208 ? 14.600 -2.220 1.067 1.00 32.96 ? 549 TRP A N 1 ATOM 1556 C CA . TRP A 1 208 ? 15.504 -1.925 -0.045 1.00 34.58 ? 549 TRP A CA 1 ATOM 1557 C C . TRP A 1 208 ? 16.911 -2.477 0.122 1.00 35.34 ? 549 TRP A C 1 ATOM 1558 O O . TRP A 1 208 ? 17.552 -2.868 -0.845 1.00 37.51 ? 549 TRP A O 1 ATOM 1559 C CB . TRP A 1 208 ? 15.574 -0.406 -0.295 1.00 34.08 ? 549 TRP A CB 1 ATOM 1560 C CG . TRP A 1 208 ? 14.282 0.158 -0.808 1.00 35.07 ? 549 TRP A CG 1 ATOM 1561 C CD1 . TRP A 1 208 ? 13.122 0.335 -0.100 1.00 34.72 ? 549 TRP A CD1 1 ATOM 1562 C CD2 . TRP A 1 208 ? 13.987 0.534 -2.158 1.00 35.77 ? 549 TRP A CD2 1 ATOM 1563 N NE1 . TRP A 1 208 ? 12.126 0.796 -0.926 1.00 36.42 ? 549 TRP A NE1 1 ATOM 1564 C CE2 . TRP A 1 208 ? 12.628 0.931 -2.194 1.00 35.48 ? 549 TRP A CE2 1 ATOM 1565 C CE3 . TRP A 1 208 ? 14.739 0.582 -3.341 1.00 35.78 ? 549 TRP A CE3 1 ATOM 1566 C CZ2 . TRP A 1 208 ? 12.001 1.357 -3.365 1.00 35.71 ? 549 TRP A CZ2 1 ATOM 1567 C CZ3 . TRP A 1 208 ? 14.119 1.006 -4.503 1.00 35.33 ? 549 TRP A CZ3 1 ATOM 1568 C CH2 . TRP A 1 208 ? 12.759 1.394 -4.505 1.00 36.90 ? 549 TRP A CH2 1 ATOM 1569 N N . GLU A 1 209 ? 17.385 -2.521 1.355 1.00 37.16 ? 550 GLU A N 1 ATOM 1570 C CA . GLU A 1 209 ? 18.723 -3.008 1.635 1.00 38.81 ? 550 GLU A CA 1 ATOM 1571 C C . GLU A 1 209 ? 18.889 -4.515 1.585 1.00 38.92 ? 550 GLU A C 1 ATOM 1572 O O . GLU A 1 209 ? 20.017 -5.004 1.553 1.00 38.30 ? 550 GLU A O 1 ATOM 1573 C CB . GLU A 1 209 ? 19.186 -2.479 2.997 1.00 41.32 ? 550 GLU A CB 1 ATOM 1574 C CG . GLU A 1 209 ? 19.922 -1.149 2.923 1.00 47.43 ? 550 GLU A CG 1 ATOM 1575 C CD . GLU A 1 209 ? 19.826 -0.344 4.210 1.00 50.36 ? 550 GLU A CD 1 ATOM 1576 O OE1 . GLU A 1 209 ? 20.175 -0.882 5.284 1.00 51.32 ? 550 GLU A OE1 1 ATOM 1577 O OE2 . GLU A 1 209 ? 19.401 0.834 4.144 1.00 52.51 ? 550 GLU A OE2 1 ATOM 1578 N N . ASN A 1 210 ? 17.784 -5.256 1.561 1.00 38.35 ? 551 ASN A N 1 ATOM 1579 C CA . ASN A 1 210 ? 17.873 -6.717 1.543 1.00 38.70 ? 551 ASN A CA 1 ATOM 1580 C C . ASN A 1 210 ? 17.208 -7.427 0.369 1.00 39.06 ? 551 ASN A C 1 ATOM 1581 O O . ASN A 1 210 ? 16.888 -8.613 0.452 1.00 40.08 ? 551 ASN A O 1 ATOM 1582 C CB . ASN A 1 210 ? 17.346 -7.269 2.872 1.00 36.89 ? 551 ASN A CB 1 ATOM 1583 C CG . ASN A 1 210 ? 18.171 -6.791 4.051 1.00 35.39 ? 551 ASN A CG 1 ATOM 1584 O OD1 . ASN A 1 210 ? 19.320 -7.211 4.226 1.00 35.72 ? 551 ASN A OD1 1 ATOM 1585 N ND2 . ASN A 1 210 ? 17.606 -5.887 4.850 1.00 32.65 ? 551 ASN A ND2 1 ATOM 1586 N N . THR A 1 211 ? 17.024 -6.699 -0.728 1.00 39.72 ? 552 THR A N 1 ATOM 1587 C CA . THR A 1 211 ? 16.412 -7.255 -1.932 1.00 39.06 ? 552 THR A CA 1 ATOM 1588 C C . THR A 1 211 ? 17.170 -6.796 -3.177 1.00 40.23 ? 552 THR A C 1 ATOM 1589 O O . THR A 1 211 ? 17.931 -5.829 -3.121 1.00 39.32 ? 552 THR A O 1 ATOM 1590 C CB . THR A 1 211 ? 14.941 -6.805 -2.059 1.00 36.94 ? 552 THR A CB 1 ATOM 1591 O OG1 . THR A 1 211 ? 14.885 -5.373 -2.095 1.00 36.49 ? 552 THR A OG1 1 ATOM 1592 C CG2 . THR A 1 211 ? 14.125 -7.305 -0.876 1.00 34.70 ? 552 THR A CG2 1 ATOM 1593 N N . ASN A 1 212 ? 16.971 -7.507 -4.287 1.00 42.07 ? 553 ASN A N 1 ATOM 1594 C CA . ASN A 1 212 ? 17.608 -7.169 -5.563 1.00 44.06 ? 553 ASN A CA 1 ATOM 1595 C C . ASN A 1 212 ? 19.132 -7.166 -5.585 1.00 44.65 ? 553 ASN A C 1 ATOM 1596 O O . ASN A 1 212 ? 19.734 -6.302 -6.219 1.00 45.82 ? 553 ASN A O 1 ATOM 1597 C CB . ASN A 1 212 ? 17.111 -5.805 -6.041 1.00 44.96 ? 553 ASN A CB 1 ATOM 1598 C CG . ASN A 1 212 ? 15.659 -5.832 -6.462 1.00 47.64 ? 553 ASN A CG 1 ATOM 1599 O OD1 . ASN A 1 212 ? 14.818 -6.441 -5.799 1.00 49.83 ? 553 ASN A OD1 1 ATOM 1600 N ND2 . ASN A 1 212 ? 15.351 -5.160 -7.564 1.00 49.31 ? 553 ASN A ND2 1 ATOM 1601 N N . GLY A 1 213 ? 19.755 -8.117 -4.896 1.00 44.75 ? 554 GLY A N 1 ATOM 1602 C CA . GLY A 1 213 ? 21.206 -8.185 -4.893 1.00 45.18 ? 554 GLY A CA 1 ATOM 1603 C C . GLY A 1 213 ? 21.934 -7.247 -3.948 1.00 46.24 ? 554 GLY A C 1 ATOM 1604 O O . GLY A 1 213 ? 23.165 -7.279 -3.865 1.00 45.56 ? 554 GLY A O 1 ATOM 1605 N N . GLU A 1 214 ? 21.204 -6.400 -3.247 1.00 47.46 ? 555 GLU A N 1 ATOM 1606 C CA . GLU A 1 214 ? 21.802 -5.486 -2.279 1.00 49.72 ? 555 GLU A CA 1 ATOM 1607 C C . GLU A 1 214 ? 22.387 -6.215 -1.073 1.00 50.12 ? 555 GLU A C 1 ATOM 1608 O O . GLU A 1 214 ? 23.246 -5.696 -0.421 1.00 50.72 ? 555 GLU A O 1 ATOM 1609 C CB . GLU A 1 214 ? 20.863 -4.360 -1.856 1.00 50.38 ? 555 GLU A CB 1 ATOM 1610 C CG . GLU A 1 214 ? 20.601 -3.287 -2.852 1.00 53.00 ? 555 GLU A CG 1 ATOM 1611 C CD . GLU A 1 214 ? 21.690 -2.275 -2.919 1.00 55.52 ? 555 GLU A CD 1 ATOM 1612 O OE1 . GLU A 1 214 ? 22.188 -1.845 -1.875 1.00 57.96 ? 555 GLU A OE1 1 ATOM 1613 O OE2 . GLU A 1 214 ? 22.047 -1.897 -4.026 1.00 57.81 ? 555 GLU A OE2 1 ATOM 1614 N N . SER A 1 215 ? 21.905 -7.404 -0.760 1.00 50.71 ? 556 SER A N 1 ATOM 1615 C CA . SER A 1 215 ? 22.499 -8.112 0.347 1.00 52.15 ? 556 SER A CA 1 ATOM 1616 C C . SER A 1 215 ? 23.588 -9.158 0.059 1.00 53.92 ? 556 SER A C 1 ATOM 1617 O O . SER A 1 215 ? 24.725 -8.931 0.363 1.00 56.63 ? 556 SER A O 1 ATOM 1618 C CB . SER A 1 215 ? 21.455 -8.676 1.279 1.00 50.99 ? 556 SER A CB 1 ATOM 1619 O OG . SER A 1 215 ? 22.035 -9.509 2.222 1.00 47.18 ? 556 SER A OG 1 ATOM 1620 N N . THR A 1 216 ? 23.213 -10.297 -0.501 1.00 53.72 ? 557 THR A N 1 ATOM 1621 C CA . THR A 1 216 ? 24.174 -11.362 -0.762 1.00 55.02 ? 557 THR A CA 1 ATOM 1622 C C . THR A 1 216 ? 24.200 -12.401 0.361 1.00 53.67 ? 557 THR A C 1 ATOM 1623 O O . THR A 1 216 ? 24.737 -13.494 0.178 1.00 54.91 ? 557 THR A O 1 ATOM 1624 C CB . THR A 1 216 ? 25.595 -10.802 -0.960 1.00 56.14 ? 557 THR A CB 1 ATOM 1625 O OG1 . THR A 1 216 ? 25.606 -9.904 -2.077 1.00 60.55 ? 557 THR A OG1 1 ATOM 1626 C CG2 . THR A 1 216 ? 26.582 -11.932 -1.215 1.00 58.56 ? 557 THR A CG2 1 ATOM 1627 N N . ALA A 1 217 ? 23.594 -12.088 1.506 1.00 51.86 ? 558 ALA A N 1 ATOM 1628 C CA . ALA A 1 217 ? 23.430 -13.098 2.547 1.00 49.41 ? 558 ALA A CA 1 ATOM 1629 C C . ALA A 1 217 ? 22.624 -14.151 1.798 1.00 48.59 ? 558 ALA A C 1 ATOM 1630 O O . ALA A 1 217 ? 21.829 -13.793 0.929 1.00 47.77 ? 558 ALA A O 1 ATOM 1631 C CB . ALA A 1 217 ? 22.627 -12.531 3.704 1.00 49.83 ? 558 ALA A CB 1 ATOM 1632 N N . ASP A 1 218 ? 22.793 -15.432 2.105 1.00 47.80 ? 559 ASP A N 1 ATOM 1633 C CA . ASP A 1 218 ? 22.047 -16.424 1.340 1.00 47.83 ? 559 ASP A CA 1 ATOM 1634 C C . ASP A 1 218 ? 20.519 -16.399 1.416 1.00 46.61 ? 559 ASP A C 1 ATOM 1635 O O . ASP A 1 218 ? 19.864 -16.877 0.491 1.00 46.36 ? 559 ASP A O 1 ATOM 1636 C CB . ASP A 1 218 ? 22.558 -17.847 1.607 1.00 50.22 ? 559 ASP A CB 1 ATOM 1637 C CG . ASP A 1 218 ? 22.587 -18.210 3.076 1.00 55.65 ? 559 ASP A CG 1 ATOM 1638 O OD1 . ASP A 1 218 ? 21.820 -17.621 3.871 1.00 57.91 ? 559 ASP A OD1 1 ATOM 1639 O OD2 . ASP A 1 218 ? 23.370 -19.119 3.434 1.00 58.29 ? 559 ASP A OD2 1 ATOM 1640 N N . TRP A 1 219 ? 19.936 -15.844 2.478 1.00 44.42 ? 560 TRP A N 1 ATOM 1641 C CA . TRP A 1 219 ? 18.470 -15.793 2.562 1.00 42.49 ? 560 TRP A CA 1 ATOM 1642 C C . TRP A 1 219 ? 17.873 -14.641 1.765 1.00 41.55 ? 560 TRP A C 1 ATOM 1643 O O . TRP A 1 219 ? 16.717 -14.698 1.347 1.00 40.99 ? 560 TRP A O 1 ATOM 1644 C CB . TRP A 1 219 ? 17.988 -15.661 4.015 1.00 40.72 ? 560 TRP A CB 1 ATOM 1645 C CG . TRP A 1 219 ? 18.486 -14.429 4.715 1.00 38.89 ? 560 TRP A CG 1 ATOM 1646 C CD1 . TRP A 1 219 ? 19.666 -14.297 5.386 1.00 38.88 ? 560 TRP A CD1 1 ATOM 1647 C CD2 . TRP A 1 219 ? 17.832 -13.153 4.800 1.00 37.50 ? 560 TRP A CD2 1 ATOM 1648 N NE1 . TRP A 1 219 ? 19.791 -13.023 5.885 1.00 38.70 ? 560 TRP A NE1 1 ATOM 1649 C CE2 . TRP A 1 219 ? 18.681 -12.298 5.537 1.00 37.77 ? 560 TRP A CE2 1 ATOM 1650 C CE3 . TRP A 1 219 ? 16.616 -12.646 4.319 1.00 38.10 ? 560 TRP A CE3 1 ATOM 1651 C CZ2 . TRP A 1 219 ? 18.353 -10.965 5.813 1.00 37.51 ? 560 TRP A CZ2 1 ATOM 1652 C CZ3 . TRP A 1 219 ? 16.289 -11.315 4.594 1.00 39.69 ? 560 TRP A CZ3 1 ATOM 1653 C CH2 . TRP A 1 219 ? 17.158 -10.493 5.332 1.00 36.91 ? 560 TRP A CH2 1 ATOM 1654 N N . ALA A 1 220 ? 18.672 -13.596 1.568 1.00 41.66 ? 561 ALA A N 1 ATOM 1655 C CA . ALA A 1 220 ? 18.253 -12.383 0.863 1.00 42.47 ? 561 ALA A CA 1 ATOM 1656 C C . ALA A 1 220 ? 18.628 -12.387 -0.612 1.00 43.46 ? 561 ALA A C 1 ATOM 1657 O O . ALA A 1 220 ? 17.972 -11.764 -1.440 1.00 42.51 ? 561 ALA A O 1 ATOM 1658 C CB . ALA A 1 220 ? 18.871 -11.172 1.546 1.00 41.38 ? 561 ALA A CB 1 ATOM 1659 N N . LYS A 1 221 ? 19.571 -13.216 -0.964 1.00 45.01 ? 562 LYS A N 1 ATOM 1660 C CA . LYS A 1 221 ? 20.245 -13.261 -2.233 1.00 44.88 ? 562 LYS A CA 1 ATOM 1661 C C . LYS A 1 221 ? 19.269 -13.266 -3.413 1.00 44.62 ? 562 LYS A C 1 ATOM 1662 O O . LYS A 1 221 ? 19.549 -12.689 -4.433 1.00 45.21 ? 562 LYS A O 1 ATOM 1663 C CB . LYS A 1 221 ? 20.950 -14.602 -2.185 1.00 45.08 ? 562 LYS A CB 1 ATOM 1664 C CG . LYS A 1 221 ? 21.908 -14.883 -3.191 1.00 46.63 ? 562 LYS A CG 1 ATOM 1665 C CD . LYS A 1 221 ? 21.856 -16.313 -3.528 1.00 46.91 ? 562 LYS A CD 1 ATOM 1666 C CE . LYS A 1 221 ? 22.378 -17.137 -2.433 1.00 47.58 ? 562 LYS A CE 1 ATOM 1667 N NZ . LYS A 1 221 ? 22.723 -18.460 -2.878 1.00 48.31 ? 562 LYS A NZ 1 ATOM 1668 N N . ASN A 1 222 ? 18.131 -13.915 -3.252 1.00 44.02 ? 563 ASN A N 1 ATOM 1669 C CA . ASN A 1 222 ? 17.103 -14.023 -4.299 1.00 43.62 ? 563 ASN A CA 1 ATOM 1670 C C . ASN A 1 222 ? 15.810 -13.235 -4.088 1.00 43.07 ? 563 ASN A C 1 ATOM 1671 O O . ASN A 1 222 ? 14.826 -13.463 -4.796 1.00 44.36 ? 563 ASN A O 1 ATOM 1672 C CB . ASN A 1 222 ? 16.713 -15.495 -4.484 1.00 45.07 ? 563 ASN A CB 1 ATOM 1673 C CG . ASN A 1 222 ? 17.722 -16.277 -5.287 1.00 46.03 ? 563 ASN A CG 1 ATOM 1674 O OD1 . ASN A 1 222 ? 17.822 -16.113 -6.505 1.00 45.62 ? 563 ASN A OD1 1 ATOM 1675 N ND2 . ASN A 1 222 ? 18.471 -17.145 -4.612 1.00 46.74 ? 563 ASN A ND2 1 ATOM 1676 N N . LEU A 1 223 ? 15.787 -12.326 -3.126 1.00 40.69 ? 564 LEU A N 1 ATOM 1677 C CA . LEU A 1 223 ? 14.571 -11.569 -2.886 1.00 40.39 ? 564 LEU A CA 1 ATOM 1678 C C . LEU A 1 223 ? 14.447 -10.414 -3.880 1.00 40.98 ? 564 LEU A C 1 ATOM 1679 O O . LEU A 1 223 ? 15.438 -9.769 -4.234 1.00 41.18 ? 564 LEU A O 1 ATOM 1680 C CB . LEU A 1 223 ? 14.551 -11.055 -1.441 1.00 38.43 ? 564 LEU A CB 1 ATOM 1681 C CG . LEU A 1 223 ? 14.639 -12.146 -0.365 1.00 37.02 ? 564 LEU A CG 1 ATOM 1682 C CD1 . LEU A 1 223 ? 14.691 -11.490 1.011 1.00 36.30 ? 564 LEU A CD1 1 ATOM 1683 C CD2 . LEU A 1 223 ? 13.435 -13.097 -0.469 1.00 36.64 ? 564 LEU A CD2 1 ATOM 1684 N N . LYS A 1 224 ? 13.243 -10.152 -4.326 1.00 41.82 ? 565 LYS A N 1 ATOM 1685 C CA . LYS A 1 224 ? 12.967 -9.089 -5.257 1.00 43.13 ? 565 LYS A CA 1 ATOM 1686 C C . LYS A 1 224 ? 11.901 -8.191 -4.690 1.00 42.47 ? 565 LYS A C 1 ATOM 1687 O O . LYS A 1 224 ? 10.963 -8.661 -4.138 1.00 42.89 ? 565 LYS A O 1 ATOM 1688 C CB . LYS A 1 224 ? 12.520 -9.678 -6.601 1.00 45.06 ? 565 LYS A CB 1 ATOM 1689 C CG . LYS A 1 224 ? 12.586 -8.749 -7.799 1.00 47.80 ? 565 LYS A CG 1 ATOM 1690 C CD . LYS A 1 224 ? 11.433 -7.769 -7.918 1.00 49.32 ? 565 LYS A CD 1 ATOM 1691 C CE . LYS A 1 224 ? 11.944 -6.429 -8.402 1.00 51.66 ? 565 LYS A CE 1 ATOM 1692 N NZ . LYS A 1 224 ? 10.930 -5.463 -8.820 1.00 54.13 ? 565 LYS A NZ 1 ATOM 1693 N N . ARG A 1 225 ? 12.053 -6.892 -4.843 1.00 42.43 ? 566 ARG A N 1 ATOM 1694 C CA . ARG A 1 225 ? 11.102 -5.927 -4.299 1.00 42.16 ? 566 ARG A CA 1 ATOM 1695 C C . ARG A 1 225 ? 9.677 -6.091 -4.779 1.00 42.06 ? 566 ARG A C 1 ATOM 1696 O O . ARG A 1 225 ? 8.742 -5.737 -4.065 1.00 40.17 ? 566 ARG A O 1 ATOM 1697 C CB . ARG A 1 225 ? 11.566 -4.507 -4.595 1.00 43.20 ? 566 ARG A CB 1 ATOM 1698 C CG . ARG A 1 225 ? 13.003 -4.292 -4.218 1.00 43.66 ? 566 ARG A CG 1 ATOM 1699 C CD . ARG A 1 225 ? 13.433 -2.867 -4.362 1.00 44.96 ? 566 ARG A CD 1 ATOM 1700 N NE . ARG A 1 225 ? 14.808 -2.744 -3.901 1.00 46.02 ? 566 ARG A NE 1 ATOM 1701 C CZ . ARG A 1 225 ? 15.808 -2.274 -4.632 1.00 47.77 ? 566 ARG A CZ 1 ATOM 1702 N NH1 . ARG A 1 225 ? 15.586 -1.869 -5.876 1.00 47.80 ? 566 ARG A NH1 1 ATOM 1703 N NH2 . ARG A 1 225 ? 17.030 -2.232 -4.120 1.00 48.70 ? 566 ARG A NH2 1 ATOM 1704 N N . GLU A 1 226 ? 9.496 -6.607 -5.989 1.00 43.27 ? 567 GLU A N 1 ATOM 1705 C CA . GLU A 1 226 ? 8.141 -6.791 -6.487 1.00 44.92 ? 567 GLU A CA 1 ATOM 1706 C C . GLU A 1 226 ? 7.408 -7.915 -5.767 1.00 43.76 ? 567 GLU A C 1 ATOM 1707 O O . GLU A 1 226 ? 6.193 -8.050 -5.903 1.00 45.77 ? 567 GLU A O 1 ATOM 1708 C CB . GLU A 1 226 ? 8.130 -7.030 -8.001 1.00 47.07 ? 567 GLU A CB 1 ATOM 1709 C CG . GLU A 1 226 ? 7.797 -5.771 -8.797 1.00 51.57 ? 567 GLU A CG 1 ATOM 1710 C CD . GLU A 1 226 ? 6.511 -5.095 -8.310 1.00 53.57 ? 567 GLU A CD 1 ATOM 1711 O OE1 . GLU A 1 226 ? 5.409 -5.647 -8.529 1.00 54.15 ? 567 GLU A OE1 1 ATOM 1712 O OE2 . GLU A 1 226 ? 6.605 -4.010 -7.694 1.00 53.97 ? 567 GLU A OE2 1 ATOM 1713 N N . ASP A 1 227 ? 8.143 -8.714 -4.997 1.00 41.97 ? 568 ASP A N 1 ATOM 1714 C CA . ASP A 1 227 ? 7.543 -9.810 -4.242 1.00 40.16 ? 568 ASP A CA 1 ATOM 1715 C C . ASP A 1 227 ? 6.971 -9.338 -2.914 1.00 38.00 ? 568 ASP A C 1 ATOM 1716 O O . ASP A 1 227 ? 6.307 -10.098 -2.217 1.00 34.94 ? 568 ASP A O 1 ATOM 1717 C CB . ASP A 1 227 ? 8.570 -10.904 -3.947 1.00 41.54 ? 568 ASP A CB 1 ATOM 1718 C CG . ASP A 1 227 ? 9.086 -11.577 -5.199 1.00 43.89 ? 568 ASP A CG 1 ATOM 1719 O OD1 . ASP A 1 227 ? 8.423 -11.469 -6.252 1.00 41.19 ? 568 ASP A OD1 1 ATOM 1720 O OD2 . ASP A 1 227 ? 10.152 -12.229 -5.119 1.00 47.70 ? 568 ASP A OD2 1 ATOM 1721 N N . PHE A 1 228 ? 7.237 -8.083 -2.568 1.00 36.27 ? 569 PHE A N 1 ATOM 1722 C CA . PHE A 1 228 ? 6.762 -7.528 -1.310 1.00 34.93 ? 569 PHE A CA 1 ATOM 1723 C C . PHE A 1 228 ? 5.752 -6.409 -1.507 1.00 34.12 ? 569 PHE A C 1 ATOM 1724 O O . PHE A 1 228 ? 5.682 -5.801 -2.576 1.00 33.99 ? 569 PHE A O 1 ATOM 1725 C CB . PHE A 1 228 ? 7.964 -7.047 -0.491 1.00 33.22 ? 569 PHE A CB 1 ATOM 1726 C CG . PHE A 1 228 ? 8.934 -8.143 -0.147 1.00 31.18 ? 569 PHE A CG 1 ATOM 1727 C CD1 . PHE A 1 228 ? 8.690 -8.998 0.923 1.00 30.81 ? 569 PHE A CD1 1 ATOM 1728 C CD2 . PHE A 1 228 ? 10.083 -8.334 -0.903 1.00 32.45 ? 569 PHE A CD2 1 ATOM 1729 C CE1 . PHE A 1 228 ? 9.583 -10.029 1.239 1.00 31.40 ? 569 PHE A CE1 1 ATOM 1730 C CE2 . PHE A 1 228 ? 10.979 -9.361 -0.598 1.00 33.06 ? 569 PHE A CE2 1 ATOM 1731 C CZ . PHE A 1 228 ? 10.725 -10.211 0.478 1.00 33.12 ? 569 PHE A CZ 1 ATOM 1732 N N . ARG A 1 229 ? 4.962 -6.161 -0.467 1.00 32.76 ? 570 ARG A N 1 ATOM 1733 C CA . ARG A 1 229 ? 3.936 -5.122 -0.481 1.00 32.12 ? 570 ARG A CA 1 ATOM 1734 C C . ARG A 1 229 ? 3.849 -4.432 0.869 1.00 31.38 ? 570 ARG A C 1 ATOM 1735 O O . ARG A 1 229 ? 4.027 -5.064 1.912 1.00 30.43 ? 570 ARG A O 1 ATOM 1736 C CB . ARG A 1 229 ? 2.563 -5.725 -0.797 1.00 32.90 ? 570 ARG A CB 1 ATOM 1737 C CG . ARG A 1 229 ? 2.357 -6.111 -2.232 1.00 34.96 ? 570 ARG A CG 1 ATOM 1738 C CD . ARG A 1 229 ? 2.224 -4.886 -3.124 1.00 38.04 ? 570 ARG A CD 1 ATOM 1739 N NE . ARG A 1 229 ? 2.058 -5.289 -4.517 1.00 41.14 ? 570 ARG A NE 1 ATOM 1740 C CZ . ARG A 1 229 ? 3.038 -5.336 -5.414 1.00 43.62 ? 570 ARG A CZ 1 ATOM 1741 N NH1 . ARG A 1 229 ? 4.274 -4.990 -5.075 1.00 44.32 ? 570 ARG A NH1 1 ATOM 1742 N NH2 . ARG A 1 229 ? 2.780 -5.748 -6.650 1.00 44.14 ? 570 ARG A NH2 1 ATOM 1743 N N . LEU A 1 230 ? 3.557 -3.137 0.843 1.00 30.22 ? 571 LEU A N 1 ATOM 1744 C CA . LEU A 1 230 ? 3.415 -2.361 2.062 1.00 30.17 ? 571 LEU A CA 1 ATOM 1745 C C . LEU A 1 230 ? 1.945 -2.345 2.431 1.00 30.70 ? 571 LEU A C 1 ATOM 1746 O O . LEU A 1 230 ? 1.085 -2.318 1.551 1.00 31.92 ? 571 LEU A O 1 ATOM 1747 C CB . LEU A 1 230 ? 3.895 -0.928 1.832 1.00 28.78 ? 571 LEU A CB 1 ATOM 1748 C CG . LEU A 1 230 ? 5.343 -0.779 1.383 1.00 28.93 ? 571 LEU A CG 1 ATOM 1749 C CD1 . LEU A 1 230 ? 5.669 0.701 1.232 1.00 28.90 ? 571 LEU A CD1 1 ATOM 1750 C CD2 . LEU A 1 230 ? 6.257 -1.445 2.409 1.00 25.93 ? 571 LEU A CD2 1 ATOM 1751 N N . LEU A 1 231 ? 1.652 -2.375 3.728 1.00 31.89 ? 572 LEU A N 1 ATOM 1752 C CA . LEU A 1 231 ? 0.265 -2.319 4.182 1.00 31.89 ? 572 LEU A CA 1 ATOM 1753 C C . LEU A 1 231 ? -0.005 -0.878 4.626 1.00 32.03 ? 572 LEU A C 1 ATOM 1754 O O . LEU A 1 231 ? 0.611 -0.400 5.578 1.00 31.11 ? 572 LEU A O 1 ATOM 1755 C CB . LEU A 1 231 ? 0.035 -3.264 5.367 1.00 32.72 ? 572 LEU A CB 1 ATOM 1756 C CG . LEU A 1 231 ? 0.151 -4.779 5.172 1.00 34.52 ? 572 LEU A CG 1 ATOM 1757 C CD1 . LEU A 1 231 ? -0.377 -5.470 6.436 1.00 35.57 ? 572 LEU A CD1 1 ATOM 1758 C CD2 . LEU A 1 231 ? -0.654 -5.224 3.947 1.00 32.92 ? 572 LEU A CD2 1 ATOM 1759 N N . CYS A 1 232 ? -0.894 -0.174 3.930 1.00 32.23 ? 573 CYS A N 1 ATOM 1760 C CA . CYS A 1 232 ? -1.202 1.197 4.319 1.00 32.99 ? 573 CYS A CA 1 ATOM 1761 C C . CYS A 1 232 ? -2.377 1.193 5.277 1.00 34.24 ? 573 CYS A C 1 ATOM 1762 O O . CYS A 1 232 ? -3.187 0.260 5.277 1.00 34.69 ? 573 CYS A O 1 ATOM 1763 C CB . CYS A 1 232 ? -1.552 2.057 3.111 1.00 31.06 ? 573 CYS A CB 1 ATOM 1764 S SG . CYS A 1 232 ? -0.692 1.553 1.612 1.00 34.47 ? 573 CYS A SG 1 ATOM 1765 N N . LEU A 1 233 ? -2.486 2.249 6.075 1.00 34.87 ? 574 LEU A N 1 ATOM 1766 C CA . LEU A 1 233 ? -3.558 2.366 7.052 1.00 37.49 ? 574 LEU A CA 1 ATOM 1767 C C . LEU A 1 233 ? -4.971 2.488 6.481 1.00 38.47 ? 574 LEU A C 1 ATOM 1768 O O . LEU A 1 233 ? -5.940 2.341 7.227 1.00 39.34 ? 574 LEU A O 1 ATOM 1769 C CB . LEU A 1 233 ? -3.275 3.541 7.992 1.00 38.17 ? 574 LEU A CB 1 ATOM 1770 C CG . LEU A 1 233 ? -2.151 3.322 9.006 1.00 36.89 ? 574 LEU A CG 1 ATOM 1771 C CD1 . LEU A 1 233 ? -1.796 4.633 9.691 1.00 35.59 ? 574 LEU A CD1 1 ATOM 1772 C CD2 . LEU A 1 233 ? -2.597 2.266 10.013 1.00 39.31 ? 574 LEU A CD2 1 ATOM 1773 N N . ASP A 1 234 ? -5.114 2.728 5.199 1.00 39.76 ? 575 ASP A N 1 ATOM 1774 C CA . ASP A 1 234 ? -6.414 2.856 4.620 1.00 40.87 ? 575 ASP A CA 1 ATOM 1775 C C . ASP A 1 234 ? -7.031 1.536 4.151 1.00 41.93 ? 575 ASP A C 1 ATOM 1776 O O . ASP A 1 234 ? -8.068 1.545 3.564 1.00 43.03 ? 575 ASP A O 1 ATOM 1777 C CB . ASP A 1 234 ? -6.478 3.965 3.564 1.00 40.30 ? 575 ASP A CB 1 ATOM 1778 C CG . ASP A 1 234 ? -5.611 3.724 2.399 1.00 40.30 ? 575 ASP A CG 1 ATOM 1779 O OD1 . ASP A 1 234 ? -4.846 2.800 2.401 1.00 41.85 ? 575 ASP A OD1 1 ATOM 1780 O OD2 . ASP A 1 234 ? -5.670 4.474 1.461 1.00 39.72 ? 575 ASP A OD2 1 ATOM 1781 N N . GLY A 1 235 ? -6.373 0.414 4.416 1.00 41.87 ? 576 GLY A N 1 ATOM 1782 C CA . GLY A 1 235 ? -6.853 -0.895 3.994 1.00 40.43 ? 576 GLY A CA 1 ATOM 1783 C C . GLY A 1 235 ? -6.363 -1.266 2.612 1.00 40.01 ? 576 GLY A C 1 ATOM 1784 O O . GLY A 1 235 ? -6.804 -2.243 2.000 1.00 41.20 ? 576 GLY A O 1 ATOM 1785 N N . THR A 1 236 ? -5.393 -0.484 2.133 1.00 38.31 ? 577 THR A N 1 ATOM 1786 C CA . THR A 1 236 ? -4.807 -0.638 0.796 1.00 37.60 ? 577 THR A CA 1 ATOM 1787 C C . THR A 1 236 ? -3.355 -1.134 0.808 1.00 36.31 ? 577 THR A C 1 ATOM 1788 O O . THR A 1 236 ? -2.637 -0.971 1.794 1.00 34.93 ? 577 THR A O 1 ATOM 1789 C CB . THR A 1 236 ? -4.878 0.678 -0.002 1.00 39.03 ? 577 THR A CB 1 ATOM 1790 O OG1 . THR A 1 236 ? -6.246 1.076 -0.155 1.00 40.47 ? 577 THR A OG1 1 ATOM 1791 C CG2 . THR A 1 236 ? -4.249 0.503 -1.376 1.00 38.68 ? 577 THR A CG2 1 ATOM 1792 N N . ARG A 1 237 ? -2.943 -1.752 -0.299 1.00 34.80 ? 578 ARG A N 1 ATOM 1793 C CA . ARG A 1 237 ? -1.611 -2.362 -0.436 1.00 34.19 ? 578 ARG A CA 1 ATOM 1794 C C . ARG A 1 237 ? -0.875 -1.644 -1.556 1.00 33.87 ? 578 ARG A C 1 ATOM 1795 O O . ARG A 1 237 ? -1.468 -1.325 -2.581 1.00 34.49 ? 578 ARG A O 1 ATOM 1796 C CB . ARG A 1 237 ? -1.710 -3.845 -0.825 1.00 34.02 ? 578 ARG A CB 1 ATOM 1797 C CG . ARG A 1 237 ? -2.164 -4.803 0.253 1.00 33.26 ? 578 ARG A CG 1 ATOM 1798 C CD . ARG A 1 237 ? -2.815 -6.027 -0.390 1.00 34.89 ? 578 ARG A CD 1 ATOM 1799 N NE . ARG A 1 237 ? -1.904 -6.845 -1.193 1.00 33.77 ? 578 ARG A NE 1 ATOM 1800 C CZ . ARG A 1 237 ? -1.356 -7.981 -0.768 1.00 33.01 ? 578 ARG A CZ 1 ATOM 1801 N NH1 . ARG A 1 237 ? -1.626 -8.416 0.454 1.00 33.18 ? 578 ARG A NH1 1 ATOM 1802 N NH2 . ARG A 1 237 ? -0.578 -8.697 -1.571 1.00 29.87 ? 578 ARG A NH2 1 ATOM 1803 N N . LYS A 1 238 ? 0.420 -1.423 -1.386 1.00 34.47 ? 579 LYS A N 1 ATOM 1804 C CA . LYS A 1 238 ? 1.176 -0.734 -2.414 1.00 34.69 ? 579 LYS A CA 1 ATOM 1805 C C . LYS A 1 238 ? 2.595 -1.257 -2.573 1.00 34.13 ? 579 LYS A C 1 ATOM 1806 O O . LYS A 1 238 ? 3.134 -1.895 -1.676 1.00 33.33 ? 579 LYS A O 1 ATOM 1807 C CB . LYS A 1 238 ? 1.222 0.769 -2.105 1.00 35.24 ? 579 LYS A CB 1 ATOM 1808 C CG . LYS A 1 238 ? -0.145 1.420 -1.957 1.00 37.63 ? 579 LYS A CG 1 ATOM 1809 C CD . LYS A 1 238 ? -0.027 2.934 -2.060 1.00 41.16 ? 579 LYS A CD 1 ATOM 1810 C CE . LYS A 1 238 ? -1.222 3.537 -2.788 1.00 44.43 ? 579 LYS A CE 1 ATOM 1811 N NZ . LYS A 1 238 ? -2.490 3.428 -2.019 1.00 44.88 ? 579 LYS A NZ 1 ATOM 1812 N N . PRO A 1 239 ? 3.216 -0.998 -3.733 1.00 35.21 ? 580 PRO A N 1 ATOM 1813 C CA . PRO A 1 239 ? 4.589 -1.449 -3.971 1.00 35.29 ? 580 PRO A CA 1 ATOM 1814 C C . PRO A 1 239 ? 5.495 -0.761 -2.952 1.00 35.08 ? 580 PRO A C 1 ATOM 1815 O O . PRO A 1 239 ? 5.152 0.302 -2.438 1.00 35.07 ? 580 PRO A O 1 ATOM 1816 C CB . PRO A 1 239 ? 4.849 -0.979 -5.397 1.00 35.09 ? 580 PRO A CB 1 ATOM 1817 C CG . PRO A 1 239 ? 3.483 -1.146 -6.026 1.00 35.08 ? 580 PRO A CG 1 ATOM 1818 C CD . PRO A 1 239 ? 2.612 -0.501 -4.982 1.00 35.41 ? 580 PRO A CD 1 ATOM 1819 N N . VAL A 1 240 ? 6.646 -1.352 -2.658 1.00 34.97 ? 581 VAL A N 1 ATOM 1820 C CA . VAL A 1 240 ? 7.537 -0.753 -1.682 1.00 36.08 ? 581 VAL A CA 1 ATOM 1821 C C . VAL A 1 240 ? 8.080 0.589 -2.162 1.00 36.66 ? 581 VAL A C 1 ATOM 1822 O O . VAL A 1 240 ? 8.719 1.311 -1.401 1.00 39.02 ? 581 VAL A O 1 ATOM 1823 C CB . VAL A 1 240 ? 8.684 -1.716 -1.300 1.00 35.84 ? 581 VAL A CB 1 ATOM 1824 C CG1 . VAL A 1 240 ? 8.099 -2.995 -0.694 1.00 33.13 ? 581 VAL A CG1 1 ATOM 1825 C CG2 . VAL A 1 240 ? 9.509 -2.057 -2.509 1.00 35.71 ? 581 VAL A CG2 1 ATOM 1826 N N . THR A 1 241 ? 7.813 0.935 -3.419 1.00 36.36 ? 582 THR A N 1 ATOM 1827 C CA . THR A 1 241 ? 8.260 2.223 -3.957 1.00 34.72 ? 582 THR A CA 1 ATOM 1828 C C . THR A 1 241 ? 7.375 3.354 -3.434 1.00 34.57 ? 582 THR A C 1 ATOM 1829 O O . THR A 1 241 ? 7.722 4.526 -3.564 1.00 37.01 ? 582 THR A O 1 ATOM 1830 C CB . THR A 1 241 ? 8.184 2.270 -5.504 1.00 33.68 ? 582 THR A CB 1 ATOM 1831 O OG1 . THR A 1 241 ? 6.899 1.799 -5.922 1.00 34.43 ? 582 THR A OG1 1 ATOM 1832 C CG2 . THR A 1 241 ? 9.285 1.446 -6.149 1.00 32.53 ? 582 THR A CG2 1 ATOM 1833 N N . GLU A 1 242 ? 6.232 3.002 -2.847 1.00 34.24 ? 583 GLU A N 1 ATOM 1834 C CA . GLU A 1 242 ? 5.278 3.987 -2.325 1.00 34.21 ? 583 GLU A CA 1 ATOM 1835 C C . GLU A 1 242 ? 5.358 4.300 -0.836 1.00 32.63 ? 583 GLU A C 1 ATOM 1836 O O . GLU A 1 242 ? 4.383 4.788 -0.263 1.00 31.75 ? 583 GLU A O 1 ATOM 1837 C CB . GLU A 1 242 ? 3.836 3.548 -2.620 1.00 37.60 ? 583 GLU A CB 1 ATOM 1838 C CG . GLU A 1 242 ? 3.488 3.413 -4.083 1.00 42.66 ? 583 GLU A CG 1 ATOM 1839 C CD . GLU A 1 242 ? 4.023 4.564 -4.897 1.00 45.57 ? 583 GLU A CD 1 ATOM 1840 O OE1 . GLU A 1 242 ? 3.636 5.726 -4.627 1.00 48.05 ? 583 GLU A OE1 1 ATOM 1841 O OE2 . GLU A 1 242 ? 4.844 4.298 -5.804 1.00 48.04 ? 583 GLU A OE2 1 ATOM 1842 N N . ALA A 1 243 ? 6.490 4.031 -0.199 1.00 31.08 ? 584 ALA A N 1 ATOM 1843 C CA . ALA A 1 243 ? 6.604 4.294 1.239 1.00 33.06 ? 584 ALA A CA 1 ATOM 1844 C C . ALA A 1 243 ? 6.210 5.711 1.710 1.00 33.18 ? 584 ALA A C 1 ATOM 1845 O O . ALA A 1 243 ? 5.555 5.856 2.747 1.00 31.17 ? 584 ALA A O 1 ATOM 1846 C CB . ALA A 1 243 ? 8.025 3.959 1.723 1.00 31.21 ? 584 ALA A CB 1 ATOM 1847 N N . GLN A 1 244 ? 6.578 6.751 0.963 1.00 35.40 ? 585 GLN A N 1 ATOM 1848 C CA . GLN A 1 244 ? 6.250 8.114 1.389 1.00 38.54 ? 585 GLN A CA 1 ATOM 1849 C C . GLN A 1 244 ? 4.749 8.349 1.528 1.00 37.88 ? 585 GLN A C 1 ATOM 1850 O O . GLN A 1 244 ? 4.335 9.315 2.165 1.00 38.57 ? 585 GLN A O 1 ATOM 1851 C CB . GLN A 1 244 ? 6.861 9.148 0.427 1.00 42.36 ? 585 GLN A CB 1 ATOM 1852 C CG . GLN A 1 244 ? 6.982 10.570 1.002 1.00 48.69 ? 585 GLN A CG 1 ATOM 1853 C CD . GLN A 1 244 ? 7.926 10.652 2.201 1.00 52.67 ? 585 GLN A CD 1 ATOM 1854 O OE1 . GLN A 1 244 ? 9.118 10.325 2.100 1.00 55.76 ? 585 GLN A OE1 1 ATOM 1855 N NE2 . GLN A 1 244 ? 7.394 11.088 3.343 1.00 51.79 ? 585 GLN A NE2 1 ATOM 1856 N N . SER A 1 245 ? 3.935 7.467 0.949 1.00 36.72 ? 586 SER A N 1 ATOM 1857 C CA . SER A 1 245 ? 2.481 7.620 1.036 1.00 36.34 ? 586 SER A CA 1 ATOM 1858 C C . SER A 1 245 ? 1.804 6.410 1.663 1.00 36.03 ? 586 SER A C 1 ATOM 1859 O O . SER A 1 245 ? 0.577 6.347 1.743 1.00 36.44 ? 586 SER A O 1 ATOM 1860 C CB . SER A 1 245 ? 1.875 7.847 -0.348 1.00 37.96 ? 586 SER A CB 1 ATOM 1861 O OG . SER A 1 245 ? 1.913 6.656 -1.121 1.00 38.01 ? 586 SER A OG 1 ATOM 1862 N N . CYS A 1 246 ? 2.602 5.446 2.104 1.00 35.46 ? 587 CYS A N 1 ATOM 1863 C CA . CYS A 1 246 ? 2.065 4.231 2.709 1.00 34.65 ? 587 CYS A CA 1 ATOM 1864 C C . CYS A 1 246 ? 2.994 3.745 3.835 1.00 34.85 ? 587 CYS A C 1 ATOM 1865 O O . CYS A 1 246 ? 3.751 2.783 3.679 1.00 35.39 ? 587 CYS A O 1 ATOM 1866 C CB . CYS A 1 246 ? 1.905 3.170 1.613 1.00 34.32 ? 587 CYS A CB 1 ATOM 1867 S SG . CYS A 1 246 ? 1.282 1.537 2.103 1.00 34.87 ? 587 CYS A SG 1 ATOM 1868 N N . HIS A 1 247 ? 2.940 4.446 4.965 1.00 32.72 ? 588 HIS A N 1 ATOM 1869 C CA . HIS A 1 247 ? 3.744 4.112 6.132 1.00 30.67 ? 588 HIS A CA 1 ATOM 1870 C C . HIS A 1 247 ? 2.890 4.280 7.379 1.00 30.52 ? 588 HIS A C 1 ATOM 1871 O O . HIS A 1 247 ? 1.819 4.882 7.325 1.00 31.11 ? 588 HIS A O 1 ATOM 1872 C CB . HIS A 1 247 ? 4.980 5.010 6.218 1.00 30.29 ? 588 HIS A CB 1 ATOM 1873 C CG . HIS A 1 247 ? 4.675 6.474 6.174 1.00 29.37 ? 588 HIS A CG 1 ATOM 1874 N ND1 . HIS A 1 247 ? 4.739 7.213 5.012 1.00 29.48 ? 588 HIS A ND1 1 ATOM 1875 C CD2 . HIS A 1 247 ? 4.309 7.336 7.152 1.00 29.21 ? 588 HIS A CD2 1 ATOM 1876 C CE1 . HIS A 1 247 ? 4.428 8.470 5.277 1.00 29.02 ? 588 HIS A CE1 1 ATOM 1877 N NE2 . HIS A 1 247 ? 4.164 8.571 6.567 1.00 31.05 ? 588 HIS A NE2 1 ATOM 1878 N N . LEU A 1 248 ? 3.355 3.745 8.504 1.00 29.85 ? 589 LEU A N 1 ATOM 1879 C CA . LEU A 1 248 ? 2.600 3.839 9.747 1.00 28.29 ? 589 LEU A CA 1 ATOM 1880 C C . LEU A 1 248 ? 2.926 5.125 10.506 1.00 28.64 ? 589 LEU A C 1 ATOM 1881 O O . LEU A 1 248 ? 2.080 5.660 11.225 1.00 29.58 ? 589 LEU A O 1 ATOM 1882 C CB . LEU A 1 248 ? 2.880 2.616 10.631 1.00 27.78 ? 589 LEU A CB 1 ATOM 1883 C CG . LEU A 1 248 ? 2.701 1.236 9.976 1.00 27.39 ? 589 LEU A CG 1 ATOM 1884 C CD1 . LEU A 1 248 ? 2.822 0.150 11.036 1.00 27.85 ? 589 LEU A CD1 1 ATOM 1885 C CD2 . LEU A 1 248 ? 1.341 1.144 9.289 1.00 25.19 ? 589 LEU A CD2 1 ATOM 1886 N N . ALA A 1 249 ? 4.149 5.621 10.335 1.00 27.18 ? 590 ALA A N 1 ATOM 1887 C CA . ALA A 1 249 ? 4.582 6.844 11.008 1.00 27.26 ? 590 ALA A CA 1 ATOM 1888 C C . ALA A 1 249 ? 5.989 7.237 10.572 1.00 27.93 ? 590 ALA A C 1 ATOM 1889 O O . ALA A 1 249 ? 6.625 6.531 9.791 1.00 27.43 ? 590 ALA A O 1 ATOM 1890 C CB . ALA A 1 249 ? 4.459 6.673 12.528 1.00 25.85 ? 590 ALA A CB 1 ATOM 1891 N N . VAL A 1 250 ? 6.457 8.386 11.049 1.00 29.68 ? 591 VAL A N 1 ATOM 1892 C CA . VAL A 1 250 ? 7.831 8.813 10.808 1.00 30.33 ? 591 VAL A CA 1 ATOM 1893 C C . VAL A 1 250 ? 8.465 8.608 12.167 1.00 29.97 ? 591 VAL A C 1 ATOM 1894 O O . VAL A 1 250 ? 7.900 9.007 13.186 1.00 30.33 ? 591 VAL A O 1 ATOM 1895 C CB . VAL A 1 250 ? 7.947 10.310 10.431 1.00 32.49 ? 591 VAL A CB 1 ATOM 1896 C CG1 . VAL A 1 250 ? 9.421 10.707 10.361 1.00 31.64 ? 591 VAL A CG1 1 ATOM 1897 C CG2 . VAL A 1 250 ? 7.289 10.571 9.091 1.00 33.41 ? 591 VAL A CG2 1 ATOM 1898 N N . ALA A 1 251 ? 9.624 7.972 12.192 1.00 29.14 ? 592 ALA A N 1 ATOM 1899 C CA . ALA A 1 251 ? 10.279 7.696 13.457 1.00 27.42 ? 592 ALA A CA 1 ATOM 1900 C C . ALA A 1 251 ? 11.513 8.548 13.652 1.00 25.70 ? 592 ALA A C 1 ATOM 1901 O O . ALA A 1 251 ? 12.248 8.808 12.703 1.00 26.04 ? 592 ALA A O 1 ATOM 1902 C CB . ALA A 1 251 ? 10.663 6.202 13.537 1.00 26.19 ? 592 ALA A CB 1 ATOM 1903 N N . PRO A 1 252 ? 11.754 9.016 14.886 1.00 25.95 ? 593 PRO A N 1 ATOM 1904 C CA . PRO A 1 252 ? 12.965 9.823 15.052 1.00 26.72 ? 593 PRO A CA 1 ATOM 1905 C C . PRO A 1 252 ? 14.175 8.880 14.953 1.00 27.93 ? 593 PRO A C 1 ATOM 1906 O O . PRO A 1 252 ? 14.119 7.717 15.390 1.00 26.40 ? 593 PRO A O 1 ATOM 1907 C CB . PRO A 1 252 ? 12.789 10.426 16.440 1.00 26.98 ? 593 PRO A CB 1 ATOM 1908 C CG . PRO A 1 252 ? 12.063 9.331 17.169 1.00 29.12 ? 593 PRO A CG 1 ATOM 1909 C CD . PRO A 1 252 ? 11.025 8.878 16.159 1.00 26.76 ? 593 PRO A CD 1 ATOM 1910 N N . ASN A 1 253 ? 15.259 9.382 14.371 1.00 27.66 ? 594 ASN A N 1 ATOM 1911 C CA . ASN A 1 253 ? 16.471 8.594 14.180 1.00 27.83 ? 594 ASN A CA 1 ATOM 1912 C C . ASN A 1 253 ? 17.063 7.999 15.438 1.00 26.20 ? 594 ASN A C 1 ATOM 1913 O O . ASN A 1 253 ? 16.829 8.489 16.542 1.00 23.85 ? 594 ASN A O 1 ATOM 1914 C CB . ASN A 1 253 ? 17.558 9.431 13.499 1.00 29.05 ? 594 ASN A CB 1 ATOM 1915 C CG . ASN A 1 253 ? 17.210 9.790 12.074 1.00 31.10 ? 594 ASN A CG 1 ATOM 1916 O OD1 . ASN A 1 253 ? 16.444 9.086 11.404 1.00 34.90 ? 594 ASN A OD1 1 ATOM 1917 N ND2 . ASN A 1 253 ? 17.791 10.882 11.588 1.00 32.87 ? 594 ASN A ND2 1 ATOM 1918 N N . HIS A 1 254 ? 17.823 6.923 15.256 1.00 24.18 ? 595 HIS A N 1 ATOM 1919 C CA . HIS A 1 254 ? 18.508 6.304 16.368 1.00 23.23 ? 595 HIS A CA 1 ATOM 1920 C C . HIS A 1 254 ? 19.522 7.358 16.770 1.00 24.62 ? 595 HIS A C 1 ATOM 1921 O O . HIS A 1 254 ? 20.053 8.087 15.919 1.00 25.38 ? 595 HIS A O 1 ATOM 1922 C CB . HIS A 1 254 ? 19.205 5.017 15.926 1.00 22.38 ? 595 HIS A CB 1 ATOM 1923 C CG . HIS A 1 254 ? 18.260 3.881 15.705 1.00 21.49 ? 595 HIS A CG 1 ATOM 1924 N ND1 . HIS A 1 254 ? 18.673 2.565 15.638 1.00 22.26 ? 595 HIS A ND1 1 ATOM 1925 C CD2 . HIS A 1 254 ? 16.915 3.864 15.552 1.00 17.77 ? 595 HIS A CD2 1 ATOM 1926 C CE1 . HIS A 1 254 ? 17.623 1.787 15.452 1.00 19.40 ? 595 HIS A CE1 1 ATOM 1927 N NE2 . HIS A 1 254 ? 16.545 2.549 15.394 1.00 22.93 ? 595 HIS A NE2 1 ATOM 1928 N N . ALA A 1 255 ? 19.785 7.455 18.063 1.00 23.06 ? 596 ALA A N 1 ATOM 1929 C CA . ALA A 1 255 ? 20.719 8.454 18.540 1.00 23.36 ? 596 ALA A CA 1 ATOM 1930 C C . ALA A 1 255 ? 21.592 7.939 19.673 1.00 23.23 ? 596 ALA A C 1 ATOM 1931 O O . ALA A 1 255 ? 21.224 7.012 20.403 1.00 21.21 ? 596 ALA A O 1 ATOM 1932 C CB . ALA A 1 255 ? 19.945 9.698 19.000 1.00 19.26 ? 596 ALA A CB 1 ATOM 1933 N N . VAL A 1 256 ? 22.765 8.543 19.794 1.00 22.79 ? 597 VAL A N 1 ATOM 1934 C CA . VAL A 1 256 ? 23.711 8.210 20.844 1.00 23.57 ? 597 VAL A CA 1 ATOM 1935 C C . VAL A 1 256 ? 23.262 8.920 22.134 1.00 24.60 ? 597 VAL A C 1 ATOM 1936 O O . VAL A 1 256 ? 22.906 10.101 22.104 1.00 23.64 ? 597 VAL A O 1 ATOM 1937 C CB . VAL A 1 256 ? 25.121 8.719 20.472 1.00 22.80 ? 597 VAL A CB 1 ATOM 1938 C CG1 . VAL A 1 256 ? 26.099 8.396 21.584 1.00 23.60 ? 597 VAL A CG1 1 ATOM 1939 C CG2 . VAL A 1 256 ? 25.566 8.109 19.160 1.00 21.46 ? 597 VAL A CG2 1 ATOM 1940 N N . VAL A 1 257 ? 23.237 8.205 23.254 1.00 24.09 ? 598 VAL A N 1 ATOM 1941 C CA . VAL A 1 257 ? 22.873 8.835 24.515 1.00 24.80 ? 598 VAL A CA 1 ATOM 1942 C C . VAL A 1 257 ? 24.016 8.608 25.486 1.00 26.28 ? 598 VAL A C 1 ATOM 1943 O O . VAL A 1 257 ? 24.853 7.719 25.297 1.00 25.97 ? 598 VAL A O 1 ATOM 1944 C CB . VAL A 1 257 ? 21.608 8.232 25.180 1.00 25.58 ? 598 VAL A CB 1 ATOM 1945 C CG1 . VAL A 1 257 ? 20.411 8.342 24.259 1.00 24.76 ? 598 VAL A CG1 1 ATOM 1946 C CG2 . VAL A 1 257 ? 21.875 6.796 25.581 1.00 24.63 ? 598 VAL A CG2 1 ATOM 1947 N N . SER A 1 258 ? 24.065 9.434 26.520 1.00 26.10 ? 599 SER A N 1 ATOM 1948 C CA . SER A 1 258 ? 25.083 9.295 27.537 1.00 27.07 ? 599 SER A CA 1 ATOM 1949 C C . SER A 1 258 ? 24.523 10.018 28.738 1.00 27.85 ? 599 SER A C 1 ATOM 1950 O O . SER A 1 258 ? 23.501 10.695 28.629 1.00 29.34 ? 599 SER A O 1 ATOM 1951 C CB . SER A 1 258 ? 26.399 9.938 27.088 1.00 28.01 ? 599 SER A CB 1 ATOM 1952 O OG . SER A 1 258 ? 26.401 11.324 27.339 1.00 29.48 ? 599 SER A OG 1 ATOM 1953 N N . ARG A 1 259 ? 25.094 9.823 29.885 1.00 28.55 ? 600 ARG A N 1 ATOM 1954 C CA . ARG A 1 259 ? 24.683 10.532 31.051 1.00 30.27 ? 600 ARG A CA 1 ATOM 1955 C C . ARG A 1 259 ? 24.959 12.019 30.830 1.00 30.83 ? 600 ARG A C 1 ATOM 1956 O O . ARG A 1 259 ? 25.894 12.374 30.199 1.00 30.34 ? 600 ARG A O 1 ATOM 1957 C CB . ARG A 1 259 ? 25.458 9.995 32.232 1.00 31.01 ? 600 ARG A CB 1 ATOM 1958 C CG . ARG A 1 259 ? 24.642 9.376 33.257 1.00 33.64 ? 600 ARG A CG 1 ATOM 1959 C CD . ARG A 1 259 ? 25.415 8.660 34.310 1.00 33.32 ? 600 ARG A CD 1 ATOM 1960 N NE . ARG A 1 259 ? 26.325 9.465 35.093 1.00 31.15 ? 600 ARG A NE 1 ATOM 1961 C CZ . ARG A 1 259 ? 26.897 9.072 36.207 1.00 31.32 ? 600 ARG A CZ 1 ATOM 1962 N NH1 . ARG A 1 259 ? 26.683 7.883 36.701 1.00 25.46 ? 600 ARG A NH1 1 ATOM 1963 N NH2 . ARG A 1 259 ? 27.687 9.888 36.838 1.00 28.15 ? 600 ARG A NH2 1 ATOM 1964 N N . SER A 1 260 ? 24.102 12.880 31.329 1.00 32.75 ? 601 SER A N 1 ATOM 1965 C CA . SER A 1 260 ? 24.260 14.303 31.114 1.00 34.82 ? 601 SER A CA 1 ATOM 1966 C C . SER A 1 260 ? 25.626 14.864 31.497 1.00 34.55 ? 601 SER A C 1 ATOM 1967 O O . SER A 1 260 ? 26.207 15.634 30.732 1.00 35.66 ? 601 SER A O 1 ATOM 1968 C CB . SER A 1 260 ? 23.172 15.076 31.846 1.00 35.27 ? 601 SER A CB 1 ATOM 1969 O OG . SER A 1 260 ? 23.315 16.447 31.545 1.00 37.01 ? 601 SER A OG 1 ATOM 1970 N N . ASP A 1 261 ? 26.153 14.488 32.658 1.00 34.94 ? 602 ASP A N 1 ATOM 1971 C CA . ASP A 1 261 ? 27.455 15.012 33.066 1.00 36.70 ? 602 ASP A CA 1 ATOM 1972 C C . ASP A 1 261 ? 28.623 14.538 32.201 1.00 36.30 ? 602 ASP A C 1 ATOM 1973 O O . ASP A 1 261 ? 29.743 15.031 32.354 1.00 36.57 ? 602 ASP A O 1 ATOM 1974 C CB . ASP A 1 261 ? 27.732 14.697 34.549 1.00 38.72 ? 602 ASP A CB 1 ATOM 1975 C CG . ASP A 1 261 ? 27.591 13.209 34.879 1.00 42.29 ? 602 ASP A CG 1 ATOM 1976 O OD1 . ASP A 1 261 ? 28.478 12.656 35.568 1.00 44.51 ? 602 ASP A OD1 1 ATOM 1977 O OD2 . ASP A 1 261 ? 26.593 12.586 34.457 1.00 42.57 ? 602 ASP A OD2 1 ATOM 1978 N N . ARG A 1 262 ? 28.357 13.612 31.277 1.00 36.11 ? 603 ARG A N 1 ATOM 1979 C CA . ARG A 1 262 ? 29.389 13.067 30.379 1.00 35.33 ? 603 ARG A CA 1 ATOM 1980 C C . ARG A 1 262 ? 29.177 13.410 28.894 1.00 33.73 ? 603 ARG A C 1 ATOM 1981 O O . ARG A 1 262 ? 30.046 13.150 28.056 1.00 31.37 ? 603 ARG A O 1 ATOM 1982 C CB . ARG A 1 262 ? 29.458 11.531 30.534 1.00 38.49 ? 603 ARG A CB 1 ATOM 1983 C CG . ARG A 1 262 ? 30.116 11.045 31.823 1.00 40.14 ? 603 ARG A CG 1 ATOM 1984 C CD . ARG A 1 262 ? 31.616 11.338 31.829 1.00 43.26 ? 603 ARG A CD 1 ATOM 1985 N NE . ARG A 1 262 ? 32.400 10.365 31.065 1.00 44.85 ? 603 ARG A NE 1 ATOM 1986 C CZ . ARG A 1 262 ? 33.667 10.554 30.703 1.00 48.24 ? 603 ARG A CZ 1 ATOM 1987 N NH1 . ARG A 1 262 ? 34.285 11.682 31.030 1.00 49.16 ? 603 ARG A NH1 1 ATOM 1988 N NH2 . ARG A 1 262 ? 34.320 9.612 30.029 1.00 49.82 ? 603 ARG A NH2 1 ATOM 1989 N N . ALA A 1 263 ? 28.025 14.003 28.587 1.00 32.16 ? 604 ALA A N 1 ATOM 1990 C CA . ALA A 1 263 ? 27.639 14.356 27.218 1.00 30.38 ? 604 ALA A CA 1 ATOM 1991 C C . ALA A 1 263 ? 28.639 15.120 26.359 1.00 30.44 ? 604 ALA A C 1 ATOM 1992 O O . ALA A 1 263 ? 28.866 14.755 25.199 1.00 30.43 ? 604 ALA A O 1 ATOM 1993 C CB . ALA A 1 263 ? 26.319 15.111 27.243 1.00 28.50 ? 604 ALA A CB 1 ATOM 1994 N N . ALA A 1 264 ? 29.234 16.174 26.911 1.00 31.34 ? 605 ALA A N 1 ATOM 1995 C CA . ALA A 1 264 ? 30.191 16.983 26.159 1.00 32.03 ? 605 ALA A CA 1 ATOM 1996 C C . ALA A 1 264 ? 31.453 16.236 25.796 1.00 32.72 ? 605 ALA A C 1 ATOM 1997 O O . ALA A 1 264 ? 32.002 16.415 24.711 1.00 33.35 ? 605 ALA A O 1 ATOM 1998 C CB . ALA A 1 264 ? 30.546 18.250 26.949 1.00 32.86 ? 605 ALA A CB 1 ATOM 1999 N N . HIS A 1 265 ? 31.922 15.403 26.713 1.00 35.78 ? 606 HIS A N 1 ATOM 2000 C CA . HIS A 1 265 ? 33.136 14.651 26.471 1.00 37.63 ? 606 HIS A CA 1 ATOM 2001 C C . HIS A 1 265 ? 32.896 13.523 25.471 1.00 36.68 ? 606 HIS A C 1 ATOM 2002 O O . HIS A 1 265 ? 33.738 13.244 24.608 1.00 35.17 ? 606 HIS A O 1 ATOM 2003 C CB . HIS A 1 265 ? 33.669 14.100 27.786 1.00 43.02 ? 606 HIS A CB 1 ATOM 2004 C CG . HIS A 1 265 ? 35.025 13.496 27.659 1.00 49.73 ? 606 HIS A CG 1 ATOM 2005 N ND1 . HIS A 1 265 ? 35.259 12.152 27.852 1.00 51.07 ? 606 HIS A ND1 1 ATOM 2006 C CD2 . HIS A 1 265 ? 36.205 14.037 27.275 1.00 50.19 ? 606 HIS A CD2 1 ATOM 2007 C CE1 . HIS A 1 265 ? 36.525 11.891 27.584 1.00 53.15 ? 606 HIS A CE1 1 ATOM 2008 N NE2 . HIS A 1 265 ? 37.121 13.017 27.232 1.00 52.53 ? 606 HIS A NE2 1 ATOM 2009 N N . VAL A 1 266 ? 31.747 12.869 25.597 1.00 35.23 ? 607 VAL A N 1 ATOM 2010 C CA . VAL A 1 266 ? 31.381 11.792 24.686 1.00 33.42 ? 607 VAL A CA 1 ATOM 2011 C C . VAL A 1 266 ? 31.280 12.376 23.281 1.00 33.90 ? 607 VAL A C 1 ATOM 2012 O O . VAL A 1 266 ? 31.812 11.829 22.318 1.00 33.09 ? 607 VAL A O 1 ATOM 2013 C CB . VAL A 1 266 ? 30.012 11.179 25.076 1.00 31.14 ? 607 VAL A CB 1 ATOM 2014 C CG1 . VAL A 1 266 ? 29.469 10.352 23.931 1.00 29.57 ? 607 VAL A CG1 1 ATOM 2015 C CG2 . VAL A 1 266 ? 30.168 10.318 26.318 1.00 25.76 ? 607 VAL A CG2 1 ATOM 2016 N N . GLU A 1 267 ? 30.596 13.510 23.191 1.00 35.53 ? 608 GLU A N 1 ATOM 2017 C CA . GLU A 1 267 ? 30.398 14.220 21.935 1.00 36.62 ? 608 GLU A CA 1 ATOM 2018 C C . GLU A 1 267 ? 31.695 14.571 21.215 1.00 37.66 ? 608 GLU A C 1 ATOM 2019 O O . GLU A 1 267 ? 31.806 14.384 20.000 1.00 37.74 ? 608 GLU A O 1 ATOM 2020 C CB . GLU A 1 267 ? 29.604 15.488 22.207 1.00 37.97 ? 608 GLU A CB 1 ATOM 2021 C CG . GLU A 1 267 ? 29.199 16.252 20.985 1.00 43.81 ? 608 GLU A CG 1 ATOM 2022 C CD . GLU A 1 267 ? 28.180 17.322 21.321 1.00 49.01 ? 608 GLU A CD 1 ATOM 2023 O OE1 . GLU A 1 267 ? 27.200 17.004 22.033 1.00 52.63 ? 608 GLU A OE1 1 ATOM 2024 O OE2 . GLU A 1 267 ? 28.349 18.477 20.875 1.00 52.48 ? 608 GLU A OE2 1 ATOM 2025 N N . GLN A 1 268 ? 32.674 15.085 21.956 1.00 37.86 ? 609 GLN A N 1 ATOM 2026 C CA . GLN A 1 268 ? 33.959 15.453 21.364 1.00 38.88 ? 609 GLN A CA 1 ATOM 2027 C C . GLN A 1 268 ? 34.697 14.245 20.797 1.00 38.38 ? 609 GLN A C 1 ATOM 2028 O O . GLN A 1 268 ? 35.198 14.273 19.672 1.00 36.82 ? 609 GLN A O 1 ATOM 2029 C CB . GLN A 1 268 ? 34.846 16.150 22.402 1.00 41.39 ? 609 GLN A CB 1 ATOM 2030 C CG . GLN A 1 268 ? 36.336 16.061 22.097 1.00 47.10 ? 609 GLN A CG 1 ATOM 2031 C CD . GLN A 1 268 ? 37.180 16.961 22.991 1.00 51.61 ? 609 GLN A CD 1 ATOM 2032 O OE1 . GLN A 1 268 ? 38.004 17.741 22.498 1.00 53.10 ? 609 GLN A OE1 1 ATOM 2033 N NE2 . GLN A 1 268 ? 36.984 16.856 24.309 1.00 51.63 ? 609 GLN A NE2 1 ATOM 2034 N N . VAL A 1 269 ? 34.769 13.182 21.585 1.00 37.67 ? 610 VAL A N 1 ATOM 2035 C CA . VAL A 1 269 ? 35.457 11.982 21.149 1.00 35.59 ? 610 VAL A CA 1 ATOM 2036 C C . VAL A 1 269 ? 34.811 11.375 19.912 1.00 35.45 ? 610 VAL A C 1 ATOM 2037 O O . VAL A 1 269 ? 35.506 10.983 18.980 1.00 34.90 ? 610 VAL A O 1 ATOM 2038 C CB . VAL A 1 269 ? 35.500 10.924 22.281 1.00 34.48 ? 610 VAL A CB 1 ATOM 2039 C CG1 . VAL A 1 269 ? 36.131 9.649 21.767 1.00 31.84 ? 610 VAL A CG1 1 ATOM 2040 C CG2 . VAL A 1 269 ? 36.300 11.472 23.462 1.00 31.18 ? 610 VAL A CG2 1 ATOM 2041 N N . LEU A 1 270 ? 33.482 11.309 19.895 1.00 35.23 ? 611 LEU A N 1 ATOM 2042 C CA . LEU A 1 270 ? 32.766 10.732 18.758 1.00 34.96 ? 611 LEU A CA 1 ATOM 2043 C C . LEU A 1 270 ? 32.917 11.504 17.458 1.00 34.25 ? 611 LEU A C 1 ATOM 2044 O O . LEU A 1 270 ? 32.952 10.900 16.385 1.00 31.57 ? 611 LEU A O 1 ATOM 2045 C CB . LEU A 1 270 ? 31.282 10.571 19.096 1.00 36.78 ? 611 LEU A CB 1 ATOM 2046 C CG . LEU A 1 270 ? 30.833 9.136 19.368 1.00 37.05 ? 611 LEU A CG 1 ATOM 2047 C CD1 . LEU A 1 270 ? 31.817 8.471 20.316 1.00 38.53 ? 611 LEU A CD1 1 ATOM 2048 C CD2 . LEU A 1 270 ? 29.428 9.146 19.945 1.00 38.21 ? 611 LEU A CD2 1 ATOM 2049 N N . LEU A 1 271 ? 32.996 12.831 17.533 1.00 34.23 ? 612 LEU A N 1 ATOM 2050 C CA . LEU A 1 271 ? 33.166 13.605 16.304 1.00 34.37 ? 612 LEU A CA 1 ATOM 2051 C C . LEU A 1 271 ? 34.562 13.352 15.734 1.00 34.89 ? 612 LEU A C 1 ATOM 2052 O O . LEU A 1 271 ? 34.752 13.366 14.520 1.00 36.35 ? 612 LEU A O 1 ATOM 2053 C CB . LEU A 1 271 ? 32.943 15.104 16.552 1.00 34.14 ? 612 LEU A CB 1 ATOM 2054 C CG . LEU A 1 271 ? 31.506 15.518 16.892 1.00 34.70 ? 612 LEU A CG 1 ATOM 2055 C CD1 . LEU A 1 271 ? 31.421 17.033 17.083 1.00 34.96 ? 612 LEU A CD1 1 ATOM 2056 C CD2 . LEU A 1 271 ? 30.579 15.060 15.772 1.00 34.32 ? 612 LEU A CD2 1 ATOM 2057 N N . HIS A 1 272 ? 35.536 13.109 16.608 1.00 35.77 ? 613 HIS A N 1 ATOM 2058 C CA . HIS A 1 272 ? 36.887 12.821 16.155 1.00 37.12 ? 613 HIS A CA 1 ATOM 2059 C C . HIS A 1 272 ? 36.963 11.378 15.688 1.00 37.33 ? 613 HIS A C 1 ATOM 2060 O O . HIS A 1 272 ? 37.796 11.030 14.862 1.00 38.04 ? 613 HIS A O 1 ATOM 2061 C CB . HIS A 1 272 ? 37.913 13.039 17.269 1.00 40.57 ? 613 HIS A CB 1 ATOM 2062 C CG . HIS A 1 272 ? 39.322 12.745 16.850 1.00 47.00 ? 613 HIS A CG 1 ATOM 2063 N ND1 . HIS A 1 272 ? 39.843 13.172 15.648 1.00 48.20 ? 613 HIS A ND1 1 ATOM 2064 C CD2 . HIS A 1 272 ? 40.322 12.086 17.482 1.00 48.21 ? 613 HIS A CD2 1 ATOM 2065 C CE1 . HIS A 1 272 ? 41.106 12.790 15.558 1.00 49.61 ? 613 HIS A CE1 1 ATOM 2066 N NE2 . HIS A 1 272 ? 41.421 12.131 16.658 1.00 51.14 ? 613 HIS A NE2 1 ATOM 2067 N N . GLN A 1 273 ? 36.108 10.522 16.229 1.00 35.13 ? 614 GLN A N 1 ATOM 2068 C CA . GLN A 1 273 ? 36.134 9.131 15.808 1.00 35.38 ? 614 GLN A CA 1 ATOM 2069 C C . GLN A 1 273 ? 35.538 8.959 14.415 1.00 36.00 ? 614 GLN A C 1 ATOM 2070 O O . GLN A 1 273 ? 36.066 8.197 13.610 1.00 35.59 ? 614 GLN A O 1 ATOM 2071 C CB . GLN A 1 273 ? 35.400 8.235 16.812 1.00 35.20 ? 614 GLN A CB 1 ATOM 2072 C CG . GLN A 1 273 ? 36.189 7.959 18.083 1.00 35.76 ? 614 GLN A CG 1 ATOM 2073 C CD . GLN A 1 273 ? 37.535 7.285 17.824 1.00 35.68 ? 614 GLN A CD 1 ATOM 2074 O OE1 . GLN A 1 273 ? 37.605 6.195 17.254 1.00 35.81 ? 614 GLN A OE1 1 ATOM 2075 N NE2 . GLN A 1 273 ? 38.609 7.934 18.253 1.00 35.93 ? 614 GLN A NE2 1 ATOM 2076 N N . GLN A 1 274 ? 34.457 9.671 14.103 1.00 36.78 ? 615 GLN A N 1 ATOM 2077 C CA . GLN A 1 274 ? 33.870 9.506 12.778 1.00 38.40 ? 615 GLN A CA 1 ATOM 2078 C C . GLN A 1 274 ? 34.738 10.129 11.687 1.00 40.34 ? 615 GLN A C 1 ATOM 2079 O O . GLN A 1 274 ? 34.632 9.766 10.513 1.00 40.33 ? 615 GLN A O 1 ATOM 2080 C CB . GLN A 1 274 ? 32.423 10.040 12.724 1.00 36.52 ? 615 GLN A CB 1 ATOM 2081 C CG . GLN A 1 274 ? 32.196 11.539 12.631 1.00 37.58 ? 615 GLN A CG 1 ATOM 2082 C CD . GLN A 1 274 ? 30.706 11.857 12.530 1.00 36.88 ? 615 GLN A CD 1 ATOM 2083 O OE1 . GLN A 1 274 ? 29.897 10.970 12.264 1.00 38.43 ? 615 GLN A OE1 1 ATOM 2084 N NE2 . GLN A 1 274 ? 30.342 13.118 12.736 1.00 38.43 ? 615 GLN A NE2 1 ATOM 2085 N N . ALA A 1 275 ? 35.620 11.044 12.077 1.00 41.46 ? 616 ALA A N 1 ATOM 2086 C CA . ALA A 1 275 ? 36.517 11.672 11.116 1.00 41.72 ? 616 ALA A CA 1 ATOM 2087 C C . ALA A 1 275 ? 37.566 10.640 10.721 1.00 42.75 ? 616 ALA A C 1 ATOM 2088 O O . ALA A 1 275 ? 38.148 10.700 9.638 1.00 44.22 ? 616 ALA A O 1 ATOM 2089 C CB . ALA A 1 275 ? 37.183 12.876 11.732 1.00 41.54 ? 616 ALA A CB 1 ATOM 2090 N N . LEU A 1 276 ? 37.790 9.675 11.605 1.00 42.40 ? 617 LEU A N 1 ATOM 2091 C CA . LEU A 1 276 ? 38.769 8.630 11.356 1.00 42.14 ? 617 LEU A CA 1 ATOM 2092 C C . LEU A 1 276 ? 38.162 7.382 10.722 1.00 42.58 ? 617 LEU A C 1 ATOM 2093 O O . LEU A 1 276 ? 38.753 6.771 9.834 1.00 41.31 ? 617 LEU A O 1 ATOM 2094 C CB . LEU A 1 276 ? 39.456 8.208 12.664 1.00 42.58 ? 617 LEU A CB 1 ATOM 2095 C CG . LEU A 1 276 ? 40.326 9.187 13.462 1.00 44.00 ? 617 LEU A CG 1 ATOM 2096 C CD1 . LEU A 1 276 ? 41.125 8.412 14.512 1.00 42.80 ? 617 LEU A CD1 1 ATOM 2097 C CD2 . LEU A 1 276 ? 41.273 9.909 12.518 1.00 45.49 ? 617 LEU A CD2 1 ATOM 2098 N N . PHE A 1 277 ? 36.967 7.021 11.170 1.00 42.04 ? 618 PHE A N 1 ATOM 2099 C CA . PHE A 1 277 ? 36.342 5.803 10.703 1.00 41.16 ? 618 PHE A CA 1 ATOM 2100 C C . PHE A 1 277 ? 34.978 5.950 10.037 1.00 41.69 ? 618 PHE A C 1 ATOM 2101 O O . PHE A 1 277 ? 34.331 4.946 9.767 1.00 41.50 ? 618 PHE A O 1 ATOM 2102 C CB . PHE A 1 277 ? 36.274 4.827 11.887 1.00 41.53 ? 618 PHE A CB 1 ATOM 2103 C CG . PHE A 1 277 ? 37.607 4.606 12.568 1.00 41.99 ? 618 PHE A CG 1 ATOM 2104 C CD1 . PHE A 1 277 ? 38.628 3.918 11.913 1.00 42.00 ? 618 PHE A CD1 1 ATOM 2105 C CD2 . PHE A 1 277 ? 37.856 5.108 13.844 1.00 42.39 ? 618 PHE A CD2 1 ATOM 2106 C CE1 . PHE A 1 277 ? 39.873 3.730 12.516 1.00 42.19 ? 618 PHE A CE1 1 ATOM 2107 C CE2 . PHE A 1 277 ? 39.098 4.927 14.454 1.00 42.65 ? 618 PHE A CE2 1 ATOM 2108 C CZ . PHE A 1 277 ? 40.108 4.239 13.787 1.00 44.29 ? 618 PHE A CZ 1 ATOM 2109 N N . GLY A 1 278 ? 34.545 7.181 9.763 1.00 41.97 ? 619 GLY A N 1 ATOM 2110 C CA . GLY A 1 278 ? 33.262 7.385 9.104 1.00 43.80 ? 619 GLY A CA 1 ATOM 2111 C C . GLY A 1 278 ? 33.293 7.090 7.605 1.00 45.41 ? 619 GLY A C 1 ATOM 2112 O O . GLY A 1 278 ? 34.245 6.485 7.116 1.00 43.62 ? 619 GLY A O 1 ATOM 2113 N N . LYS A 1 279 ? 32.274 7.545 6.870 1.00 48.99 ? 620 LYS A N 1 ATOM 2114 C CA . LYS A 1 279 ? 32.163 7.301 5.419 1.00 53.39 ? 620 LYS A CA 1 ATOM 2115 C C . LYS A 1 279 ? 33.401 7.573 4.552 1.00 54.90 ? 620 LYS A C 1 ATOM 2116 O O . LYS A 1 279 ? 33.805 6.706 3.772 1.00 56.06 ? 620 LYS A O 1 ATOM 2117 C CB . LYS A 1 279 ? 30.968 8.057 4.850 1.00 55.41 ? 620 LYS A CB 1 ATOM 2118 C CG . LYS A 1 279 ? 30.419 7.435 3.571 1.00 59.18 ? 620 LYS A CG 1 ATOM 2119 C CD . LYS A 1 279 ? 29.110 8.093 3.156 1.00 61.52 ? 620 LYS A CD 1 ATOM 2120 C CE . LYS A 1 279 ? 28.375 7.294 2.082 1.00 62.87 ? 620 LYS A CE 1 ATOM 2121 N NZ . LYS A 1 279 ? 29.096 7.275 0.781 1.00 63.43 ? 620 LYS A NZ 1 ATOM 2122 N N . ASN A 1 280 ? 33.962 8.761 4.684 1.00 55.68 ? 621 ASN A N 1 ATOM 2123 C CA . ASN A 1 280 ? 35.155 9.094 3.951 1.00 57.03 ? 621 ASN A CA 1 ATOM 2124 C C . ASN A 1 280 ? 36.077 9.612 5.016 1.00 57.20 ? 621 ASN A C 1 ATOM 2125 O O . ASN A 1 280 ? 36.452 10.785 5.029 1.00 57.82 ? 621 ASN A O 1 ATOM 2126 C CB . ASN A 1 280 ? 34.872 10.177 2.913 1.00 58.16 ? 621 ASN A CB 1 ATOM 2127 C CG . ASN A 1 280 ? 33.822 9.757 1.904 1.00 58.82 ? 621 ASN A CG 1 ATOM 2128 O OD1 . ASN A 1 280 ? 33.484 10.511 0.991 1.00 58.42 ? 621 ASN A OD1 1 ATOM 2129 N ND2 . ASN A 1 280 ? 33.299 8.546 2.063 1.00 59.92 ? 621 ASN A ND2 1 ATOM 2130 N N . GLY A 1 281 ? 36.444 8.711 5.919 1.00 56.86 ? 622 GLY A N 1 ATOM 2131 C CA . GLY A 1 281 ? 37.348 9.078 6.987 1.00 55.98 ? 622 GLY A CA 1 ATOM 2132 C C . GLY A 1 281 ? 38.722 8.550 6.657 1.00 55.96 ? 622 GLY A C 1 ATOM 2133 O O . GLY A 1 281 ? 38.862 7.638 5.842 1.00 54.50 ? 622 GLY A O 1 ATOM 2134 N N . LYS A 1 282 ? 39.730 9.136 7.295 1.00 55.71 ? 623 LYS A N 1 ATOM 2135 C CA . LYS A 1 282 ? 41.130 8.775 7.097 1.00 55.44 ? 623 LYS A CA 1 ATOM 2136 C C . LYS A 1 282 ? 41.502 7.321 7.011 1.00 55.05 ? 623 LYS A C 1 ATOM 2137 O O . LYS A 1 282 ? 42.429 6.924 6.290 1.00 55.31 ? 623 LYS A O 1 ATOM 2138 C CB . LYS A 1 282 ? 41.952 9.176 8.311 1.00 56.67 ? 623 LYS A CB 1 ATOM 2139 C CG . LYS A 1 282 ? 42.808 10.390 8.126 1.00 59.10 ? 623 LYS A CG 1 ATOM 2140 C CD . LYS A 1 282 ? 42.075 11.617 8.572 1.00 60.86 ? 623 LYS A CD 1 ATOM 2141 C CE . LYS A 1 282 ? 43.030 12.783 8.653 1.00 62.52 ? 623 LYS A CE 1 ATOM 2142 N NZ . LYS A 1 282 ? 42.404 13.921 9.370 1.00 64.82 ? 623 LYS A NZ 1 ATOM 2143 N N . ASN A 1 283 ? 40.782 6.521 7.774 1.00 54.04 ? 624 ASN A N 1 ATOM 2144 C CA . ASN A 1 283 ? 40.970 5.117 7.668 1.00 53.09 ? 624 ASN A CA 1 ATOM 2145 C C . ASN A 1 283 ? 39.762 4.264 7.224 1.00 52.54 ? 624 ASN A C 1 ATOM 2146 O O . ASN A 1 283 ? 39.781 3.076 7.473 1.00 51.92 ? 624 ASN A O 1 ATOM 2147 C CB . ASN A 1 283 ? 41.550 4.621 9.007 1.00 53.13 ? 624 ASN A CB 1 ATOM 2148 C CG . ASN A 1 283 ? 42.709 5.526 9.511 1.00 54.25 ? 624 ASN A CG 1 ATOM 2149 O OD1 . ASN A 1 283 ? 43.532 5.973 8.707 1.00 54.91 ? 624 ASN A OD1 1 ATOM 2150 N ND2 . ASN A 1 283 ? 42.768 5.794 10.814 1.00 52.85 ? 624 ASN A ND2 1 ATOM 2151 N N . CYS A 1 284 ? 38.728 4.774 6.577 1.00 52.71 ? 625 CYS A N 1 ATOM 2152 C CA . CYS A 1 284 ? 37.713 3.887 6.006 1.00 52.84 ? 625 CYS A CA 1 ATOM 2153 C C . CYS A 1 284 ? 37.813 4.026 4.526 1.00 56.13 ? 625 CYS A C 1 ATOM 2154 O O . CYS A 1 284 ? 37.737 5.114 4.067 1.00 57.98 ? 625 CYS A O 1 ATOM 2155 C CB . CYS A 1 284 ? 36.282 4.244 6.463 1.00 50.29 ? 625 CYS A CB 1 ATOM 2156 S SG . CYS A 1 284 ? 34.908 3.465 5.604 1.00 41.57 ? 625 CYS A SG 1 ATOM 2157 N N . PRO A 1 285 ? 37.974 2.966 3.754 1.00 57.77 ? 626 PRO A N 1 ATOM 2158 C CA . PRO A 1 285 ? 37.764 1.586 4.155 1.00 57.66 ? 626 PRO A CA 1 ATOM 2159 C C . PRO A 1 285 ? 39.012 0.788 4.312 1.00 58.35 ? 626 PRO A C 1 ATOM 2160 O O . PRO A 1 285 ? 38.918 -0.404 4.352 1.00 59.02 ? 626 PRO A O 1 ATOM 2161 C CB . PRO A 1 285 ? 37.025 1.021 2.965 1.00 57.54 ? 626 PRO A CB 1 ATOM 2162 C CG . PRO A 1 285 ? 37.376 1.844 1.890 1.00 57.54 ? 626 PRO A CG 1 ATOM 2163 C CD . PRO A 1 285 ? 37.422 3.193 2.420 1.00 58.67 ? 626 PRO A CD 1 ATOM 2164 N N . ASP A 1 286 ? 40.148 1.450 4.406 1.00 58.68 ? 627 ASP A N 1 ATOM 2165 C CA . ASP A 1 286 ? 41.426 0.790 4.440 1.00 58.80 ? 627 ASP A CA 1 ATOM 2166 C C . ASP A 1 286 ? 41.658 0.053 5.712 1.00 57.99 ? 627 ASP A C 1 ATOM 2167 O O . ASP A 1 286 ? 42.192 -1.031 5.706 1.00 58.22 ? 627 ASP A O 1 ATOM 2168 C CB . ASP A 1 286 ? 42.550 1.784 4.187 1.00 60.34 ? 627 ASP A CB 1 ATOM 2169 C CG . ASP A 1 286 ? 42.220 2.754 3.092 1.00 61.71 ? 627 ASP A CG 1 ATOM 2170 O OD1 . ASP A 1 286 ? 41.595 3.780 3.389 1.00 61.76 ? 627 ASP A OD1 1 ATOM 2171 O OD2 . ASP A 1 286 ? 42.562 2.490 1.938 1.00 62.41 ? 627 ASP A OD2 1 ATOM 2172 N N . LYS A 1 287 ? 41.266 0.634 6.818 1.00 56.34 ? 628 LYS A N 1 ATOM 2173 C CA . LYS A 1 287 ? 41.485 -0.088 8.064 1.00 54.38 ? 628 LYS A CA 1 ATOM 2174 C C . LYS A 1 287 ? 40.267 -0.532 8.864 1.00 52.49 ? 628 LYS A C 1 ATOM 2175 O O . LYS A 1 287 ? 40.109 -1.678 9.181 1.00 53.35 ? 628 LYS A O 1 ATOM 2176 C CB . LYS A 1 287 ? 42.355 0.724 9.013 1.00 56.01 ? 628 LYS A CB 1 ATOM 2177 C CG . LYS A 1 287 ? 43.829 0.652 8.785 1.00 57.37 ? 628 LYS A CG 1 ATOM 2178 C CD . LYS A 1 287 ? 44.548 1.302 9.923 1.00 60.29 ? 628 LYS A CD 1 ATOM 2179 C CE . LYS A 1 287 ? 45.836 0.577 10.292 1.00 61.76 ? 628 LYS A CE 1 ATOM 2180 N NZ . LYS A 1 287 ? 46.271 0.812 11.699 1.00 61.70 ? 628 LYS A NZ 1 ATOM 2181 N N . PHE A 1 288 ? 39.393 0.382 9.179 1.00 49.00 ? 629 PHE A N 1 ATOM 2182 C CA . PHE A 1 288 ? 38.176 0.047 9.902 1.00 46.03 ? 629 PHE A CA 1 ATOM 2183 C C . PHE A 1 288 ? 37.048 1.022 9.584 1.00 44.13 ? 629 PHE A C 1 ATOM 2184 O O . PHE A 1 288 ? 37.244 2.240 9.557 1.00 43.04 ? 629 PHE A O 1 ATOM 2185 C CB . PHE A 1 288 ? 38.467 0.042 11.413 1.00 44.78 ? 629 PHE A CB 1 ATOM 2186 C CG . PHE A 1 288 ? 37.247 -0.121 12.283 1.00 42.82 ? 629 PHE A CG 1 ATOM 2187 C CD1 . PHE A 1 288 ? 36.633 -1.359 12.436 1.00 43.20 ? 629 PHE A CD1 1 ATOM 2188 C CD2 . PHE A 1 288 ? 36.715 0.969 12.961 1.00 40.85 ? 629 PHE A CD2 1 ATOM 2189 C CE1 . PHE A 1 288 ? 35.515 -1.505 13.259 1.00 42.48 ? 629 PHE A CE1 1 ATOM 2190 C CE2 . PHE A 1 288 ? 35.605 0.829 13.777 1.00 40.94 ? 629 PHE A CE2 1 ATOM 2191 C CZ . PHE A 1 288 ? 35.002 -0.408 13.923 1.00 41.23 ? 629 PHE A CZ 1 ATOM 2192 N N . CYS A 1 289 ? 35.866 0.484 9.321 1.00 42.79 ? 630 CYS A N 1 ATOM 2193 C CA . CYS A 1 289 ? 34.735 1.347 9.041 1.00 41.70 ? 630 CYS A CA 1 ATOM 2194 C C . CYS A 1 289 ? 33.620 1.155 10.066 1.00 40.98 ? 630 CYS A C 1 ATOM 2195 O O . CYS A 1 289 ? 32.958 0.116 10.143 1.00 41.48 ? 630 CYS A O 1 ATOM 2196 C CB . CYS A 1 289 ? 34.213 1.130 7.627 1.00 40.78 ? 630 CYS A CB 1 ATOM 2197 S SG . CYS A 1 289 ? 35.278 1.560 6.208 1.00 40.80 ? 630 CYS A SG 1 ATOM 2198 N N . LEU A 1 290 ? 33.453 2.200 10.861 1.00 39.06 ? 631 LEU A N 1 ATOM 2199 C CA . LEU A 1 290 ? 32.483 2.286 11.934 1.00 38.62 ? 631 LEU A CA 1 ATOM 2200 C C . LEU A 1 290 ? 31.034 1.979 11.548 1.00 39.27 ? 631 LEU A C 1 ATOM 2201 O O . LEU A 1 290 ? 30.324 1.308 12.299 1.00 37.62 ? 631 LEU A O 1 ATOM 2202 C CB . LEU A 1 290 ? 32.581 3.689 12.543 1.00 38.89 ? 631 LEU A CB 1 ATOM 2203 C CG . LEU A 1 290 ? 31.962 4.005 13.900 1.00 39.02 ? 631 LEU A CG 1 ATOM 2204 C CD1 . LEU A 1 290 ? 32.565 3.118 14.985 1.00 39.33 ? 631 LEU A CD1 1 ATOM 2205 C CD2 . LEU A 1 290 ? 32.211 5.472 14.207 1.00 38.83 ? 631 LEU A CD2 1 ATOM 2206 N N . PHE A 1 291 ? 30.602 2.442 10.378 1.00 39.97 ? 632 PHE A N 1 ATOM 2207 C CA . PHE A 1 291 ? 29.220 2.243 9.965 1.00 40.96 ? 632 PHE A CA 1 ATOM 2208 C C . PHE A 1 291 ? 28.952 1.081 9.006 1.00 41.95 ? 632 PHE A C 1 ATOM 2209 O O . PHE A 1 291 ? 27.954 1.072 8.287 1.00 42.38 ? 632 PHE A O 1 ATOM 2210 C CB . PHE A 1 291 ? 28.669 3.559 9.392 1.00 40.55 ? 632 PHE A CB 1 ATOM 2211 C CG . PHE A 1 291 ? 28.895 4.753 10.289 1.00 41.10 ? 632 PHE A CG 1 ATOM 2212 C CD1 . PHE A 1 291 ? 28.628 4.673 11.651 1.00 40.75 ? 632 PHE A CD1 1 ATOM 2213 C CD2 . PHE A 1 291 ? 29.396 5.948 9.779 1.00 40.69 ? 632 PHE A CD2 1 ATOM 2214 C CE1 . PHE A 1 291 ? 28.860 5.759 12.490 1.00 39.56 ? 632 PHE A CE1 1 ATOM 2215 C CE2 . PHE A 1 291 ? 29.627 7.035 10.617 1.00 39.47 ? 632 PHE A CE2 1 ATOM 2216 C CZ . PHE A 1 291 ? 29.362 6.936 11.970 1.00 39.92 ? 632 PHE A CZ 1 ATOM 2217 N N . LYS A 1 292 ? 29.842 0.098 8.996 1.00 43.05 ? 633 LYS A N 1 ATOM 2218 C CA . LYS A 1 292 ? 29.647 -1.077 8.156 1.00 45.27 ? 633 LYS A CA 1 ATOM 2219 C C . LYS A 1 292 ? 29.888 -2.412 8.857 1.00 46.27 ? 633 LYS A C 1 ATOM 2220 O O . LYS A 1 292 ? 30.912 -2.597 9.521 1.00 46.07 ? 633 LYS A O 1 ATOM 2221 C CB . LYS A 1 292 ? 30.652 -1.109 6.991 1.00 45.98 ? 633 LYS A CB 1 ATOM 2222 C CG . LYS A 1 292 ? 30.276 -0.218 5.806 1.00 48.11 ? 633 LYS A CG 1 ATOM 2223 C CD . LYS A 1 292 ? 30.599 -0.890 4.466 1.00 51.06 ? 633 LYS A CD 1 ATOM 2224 C CE . LYS A 1 292 ? 32.100 -1.035 4.215 1.00 52.72 ? 633 LYS A CE 1 ATOM 2225 N NZ . LYS A 1 292 ? 32.667 0.104 3.426 1.00 53.46 ? 633 LYS A NZ 1 ATOM 2226 N N . SER A 1 293 ? 28.930 -3.326 8.718 1.00 47.43 ? 634 SER A N 1 ATOM 2227 C CA . SER A 1 293 ? 28.948 -4.586 9.447 1.00 49.04 ? 634 SER A CA 1 ATOM 2228 C C . SER A 1 293 ? 28.166 -5.677 8.720 1.00 51.70 ? 634 SER A C 1 ATOM 2229 O O . SER A 1 293 ? 27.453 -6.463 9.343 1.00 53.83 ? 634 SER A O 1 ATOM 2230 C CB . SER A 1 293 ? 28.374 -4.393 10.850 1.00 48.10 ? 634 SER A CB 1 ATOM 2231 O OG . SER A 1 293 ? 26.982 -4.157 10.799 1.00 45.06 ? 634 SER A OG 1 ATOM 2232 N N . GLU A 1 294 ? 28.292 -5.705 7.398 1.00 53.47 ? 635 GLU A N 1 ATOM 2233 C CA . GLU A 1 294 ? 27.634 -6.707 6.559 1.00 55.55 ? 635 GLU A CA 1 ATOM 2234 C C . GLU A 1 294 ? 26.123 -6.843 6.761 1.00 54.45 ? 635 GLU A C 1 ATOM 2235 O O . GLU A 1 294 ? 25.622 -7.946 6.985 1.00 54.06 ? 635 GLU A O 1 ATOM 2236 C CB . GLU A 1 294 ? 28.287 -8.077 6.778 1.00 58.11 ? 635 GLU A CB 1 ATOM 2237 C CG . GLU A 1 294 ? 29.760 -8.008 7.173 1.00 62.82 ? 635 GLU A CG 1 ATOM 2238 C CD . GLU A 1 294 ? 30.667 -7.569 6.038 1.00 65.74 ? 635 GLU A CD 1 ATOM 2239 O OE1 . GLU A 1 294 ? 31.675 -6.883 6.316 1.00 68.36 ? 635 GLU A OE1 1 ATOM 2240 O OE2 . GLU A 1 294 ? 30.380 -7.920 4.873 1.00 68.02 ? 635 GLU A OE2 1 ATOM 2241 N N . THR A 1 295 ? 25.407 -5.727 6.735 1.00 53.30 ? 636 THR A N 1 ATOM 2242 C CA . THR A 1 295 ? 23.951 -5.757 6.827 1.00 50.08 ? 636 THR A CA 1 ATOM 2243 C C . THR A 1 295 ? 23.417 -6.221 8.183 1.00 48.21 ? 636 THR A C 1 ATOM 2244 O O . THR A 1 295 ? 22.256 -6.615 8.291 1.00 46.46 ? 636 THR A O 1 ATOM 2245 C CB . THR A 1 295 ? 23.339 -6.644 5.723 1.00 50.55 ? 636 THR A CB 1 ATOM 2246 O OG1 . THR A 1 295 ? 21.911 -6.641 5.841 1.00 50.58 ? 636 THR A OG1 1 ATOM 2247 C CG2 . THR A 1 295 ? 23.851 -8.071 5.842 1.00 49.85 ? 636 THR A CG2 1 ATOM 2248 N N . LYS A 1 296 ? 24.252 -6.168 9.216 1.00 45.27 ? 637 LYS A N 1 ATOM 2249 C CA . LYS A 1 296 ? 23.808 -6.532 10.560 1.00 42.29 ? 637 LYS A CA 1 ATOM 2250 C C . LYS A 1 296 ? 23.524 -5.365 11.492 1.00 38.95 ? 637 LYS A C 1 ATOM 2251 O O . LYS A 1 296 ? 23.013 -5.554 12.597 1.00 38.00 ? 637 LYS A O 1 ATOM 2252 C CB . LYS A 1 296 ? 24.825 -7.460 11.204 1.00 44.44 ? 637 LYS A CB 1 ATOM 2253 C CG . LYS A 1 296 ? 25.093 -8.679 10.369 1.00 47.81 ? 637 LYS A CG 1 ATOM 2254 C CD . LYS A 1 296 ? 25.833 -9.725 11.161 1.00 51.17 ? 637 LYS A CD 1 ATOM 2255 C CE . LYS A 1 296 ? 26.967 -10.306 10.341 1.00 52.51 ? 637 LYS A CE 1 ATOM 2256 N NZ . LYS A 1 296 ? 27.454 -11.572 10.945 1.00 55.88 ? 637 LYS A NZ 1 ATOM 2257 N N . ASN A 1 297 ? 23.865 -4.162 11.048 1.00 36.08 ? 638 ASN A N 1 ATOM 2258 C CA . ASN A 1 297 ? 23.609 -2.974 11.848 1.00 32.98 ? 638 ASN A CA 1 ATOM 2259 C C . ASN A 1 297 ? 24.158 -3.120 13.265 1.00 31.10 ? 638 ASN A C 1 ATOM 2260 O O . ASN A 1 297 ? 23.410 -2.980 14.234 1.00 30.23 ? 638 ASN A O 1 ATOM 2261 C CB . ASN A 1 297 ? 22.101 -2.731 11.916 1.00 33.74 ? 638 ASN A CB 1 ATOM 2262 C CG . ASN A 1 297 ? 21.466 -2.627 10.544 1.00 33.65 ? 638 ASN A CG 1 ATOM 2263 O OD1 . ASN A 1 297 ? 20.381 -3.160 10.306 1.00 33.52 ? 638 ASN A OD1 1 ATOM 2264 N ND2 . ASN A 1 297 ? 22.137 -1.930 9.634 1.00 34.19 ? 638 ASN A ND2 1 ATOM 2265 N N . LEU A 1 298 ? 25.452 -3.407 13.388 1.00 27.80 ? 639 LEU A N 1 ATOM 2266 C CA . LEU A 1 298 ? 26.073 -3.562 14.702 1.00 25.28 ? 639 LEU A CA 1 ATOM 2267 C C . LEU A 1 298 ? 26.572 -2.197 15.199 1.00 23.69 ? 639 LEU A C 1 ATOM 2268 O O . LEU A 1 298 ? 27.273 -1.492 14.480 1.00 21.38 ? 639 LEU A O 1 ATOM 2269 C CB . LEU A 1 298 ? 27.236 -4.562 14.627 1.00 23.50 ? 639 LEU A CB 1 ATOM 2270 C CG . LEU A 1 298 ? 26.909 -5.964 14.081 1.00 25.67 ? 639 LEU A CG 1 ATOM 2271 C CD1 . LEU A 1 298 ? 28.171 -6.807 14.047 1.00 24.16 ? 639 LEU A CD1 1 ATOM 2272 C CD2 . LEU A 1 298 ? 25.850 -6.645 14.950 1.00 25.00 ? 639 LEU A CD2 1 ATOM 2273 N N . LEU A 1 299 ? 26.191 -1.843 16.427 1.00 24.09 ? 640 LEU A N 1 ATOM 2274 C CA . LEU A 1 299 ? 26.570 -0.579 17.076 1.00 24.19 ? 640 LEU A CA 1 ATOM 2275 C C . LEU A 1 299 ? 25.736 0.555 16.397 1.00 24.48 ? 640 LEU A C 1 ATOM 2276 O O . LEU A 1 299 ? 25.027 1.303 17.066 1.00 23.60 ? 640 LEU A O 1 ATOM 2277 C CB . LEU A 1 299 ? 28.069 -0.338 17.048 1.00 25.28 ? 640 LEU A CB 1 ATOM 2278 C CG . LEU A 1 299 ? 29.032 -1.355 17.682 1.00 26.30 ? 640 LEU A CG 1 ATOM 2279 C CD1 . LEU A 1 299 ? 30.440 -0.760 17.671 1.00 26.73 ? 640 LEU A CD1 1 ATOM 2280 C CD2 . LEU A 1 299 ? 28.630 -1.683 19.113 1.00 24.87 ? 640 LEU A CD2 1 ATOM 2281 N N . PHE A 1 300 ? 25.875 0.652 15.083 1.00 23.73 ? 641 PHE A N 1 ATOM 2282 C CA . PHE A 1 300 ? 25.217 1.705 14.300 1.00 24.88 ? 641 PHE A CA 1 ATOM 2283 C C . PHE A 1 300 ? 24.505 1.055 13.098 1.00 25.01 ? 641 PHE A C 1 ATOM 2284 O O . PHE A 1 300 ? 24.868 -0.061 12.724 1.00 25.85 ? 641 PHE A O 1 ATOM 2285 C CB . PHE A 1 300 ? 26.230 2.725 13.759 1.00 23.85 ? 641 PHE A CB 1 ATOM 2286 C CG . PHE A 1 300 ? 26.974 3.469 14.829 1.00 26.09 ? 641 PHE A CG 1 ATOM 2287 C CD1 . PHE A 1 300 ? 26.423 4.599 15.434 1.00 28.13 ? 641 PHE A CD1 1 ATOM 2288 C CD2 . PHE A 1 300 ? 28.222 3.036 15.244 1.00 24.71 ? 641 PHE A CD2 1 ATOM 2289 C CE1 . PHE A 1 300 ? 27.109 5.281 16.436 1.00 26.97 ? 641 PHE A CE1 1 ATOM 2290 C CE2 . PHE A 1 300 ? 28.909 3.710 16.244 1.00 26.93 ? 641 PHE A CE2 1 ATOM 2291 C CZ . PHE A 1 300 ? 28.349 4.835 16.840 1.00 26.98 ? 641 PHE A CZ 1 ATOM 2292 N N . ASN A 1 301 ? 23.513 1.719 12.506 1.00 24.61 ? 642 ASN A N 1 ATOM 2293 C CA . ASN A 1 301 ? 22.859 1.170 11.319 1.00 26.87 ? 642 ASN A CA 1 ATOM 2294 C C . ASN A 1 301 ? 23.878 1.278 10.184 1.00 28.88 ? 642 ASN A C 1 ATOM 2295 O O . ASN A 1 301 ? 24.663 2.225 10.147 1.00 29.89 ? 642 ASN A O 1 ATOM 2296 C CB . ASN A 1 301 ? 21.600 1.971 10.942 1.00 24.34 ? 642 ASN A CB 1 ATOM 2297 C CG . ASN A 1 301 ? 20.381 1.564 11.739 1.00 27.79 ? 642 ASN A CG 1 ATOM 2298 O OD1 . ASN A 1 301 ? 20.076 0.378 11.849 1.00 25.19 ? 642 ASN A OD1 1 ATOM 2299 N ND2 . ASN A 1 301 ? 19.663 2.548 12.287 1.00 24.23 ? 642 ASN A ND2 1 ATOM 2300 N N . ASP A 1 302 ? 23.866 0.321 9.260 1.00 31.86 ? 643 ASP A N 1 ATOM 2301 C CA . ASP A 1 302 ? 24.804 0.330 8.135 1.00 34.46 ? 643 ASP A CA 1 ATOM 2302 C C . ASP A 1 302 ? 24.586 1.432 7.102 1.00 35.48 ? 643 ASP A C 1 ATOM 2303 O O . ASP A 1 302 ? 25.491 1.738 6.327 1.00 35.72 ? 643 ASP A O 1 ATOM 2304 C CB . ASP A 1 302 ? 24.788 -1.023 7.424 1.00 37.87 ? 643 ASP A CB 1 ATOM 2305 C CG . ASP A 1 302 ? 25.318 -2.149 8.299 1.00 41.97 ? 643 ASP A CG 1 ATOM 2306 O OD1 . ASP A 1 302 ? 26.470 -2.056 8.777 1.00 44.31 ? 643 ASP A OD1 1 ATOM 2307 O OD2 . ASP A 1 302 ? 24.585 -3.136 8.507 1.00 46.26 ? 643 ASP A OD2 1 ATOM 2308 N N . ASN A 1 303 ? 23.400 2.026 7.065 1.00 35.37 ? 644 ASN A N 1 ATOM 2309 C CA . ASN A 1 303 ? 23.151 3.078 6.085 1.00 37.40 ? 644 ASN A CA 1 ATOM 2310 C C . ASN A 1 303 ? 23.441 4.476 6.647 1.00 38.30 ? 644 ASN A C 1 ATOM 2311 O O . ASN A 1 303 ? 22.983 5.488 6.113 1.00 38.26 ? 644 ASN A O 1 ATOM 2312 C CB . ASN A 1 303 ? 21.702 3.001 5.589 1.00 37.58 ? 644 ASN A CB 1 ATOM 2313 C CG . ASN A 1 303 ? 20.692 3.289 6.681 1.00 38.07 ? 644 ASN A CG 1 ATOM 2314 O OD1 . ASN A 1 303 ? 21.047 3.491 7.844 1.00 40.66 ? 644 ASN A OD1 1 ATOM 2315 N ND2 . ASN A 1 303 ? 19.417 3.308 6.310 1.00 40.05 ? 644 ASN A ND2 1 ATOM 2316 N N . THR A 1 304 ? 24.223 4.528 7.716 1.00 38.52 ? 645 THR A N 1 ATOM 2317 C CA . THR A 1 304 ? 24.555 5.794 8.347 1.00 38.15 ? 645 THR A CA 1 ATOM 2318 C C . THR A 1 304 ? 25.663 6.565 7.637 1.00 38.13 ? 645 THR A C 1 ATOM 2319 O O . THR A 1 304 ? 26.793 6.092 7.501 1.00 37.04 ? 645 THR A O 1 ATOM 2320 C CB . THR A 1 304 ? 24.981 5.583 9.809 1.00 38.57 ? 645 THR A CB 1 ATOM 2321 O OG1 . THR A 1 304 ? 23.933 4.911 10.521 1.00 36.96 ? 645 THR A OG1 1 ATOM 2322 C CG2 . THR A 1 304 ? 25.278 6.919 10.464 1.00 34.14 ? 645 THR A CG2 1 ATOM 2323 N N . GLU A 1 305 ? 25.338 7.768 7.189 1.00 40.02 ? 646 GLU A N 1 ATOM 2324 C CA . GLU A 1 305 ? 26.330 8.584 6.515 1.00 41.28 ? 646 GLU A CA 1 ATOM 2325 C C . GLU A 1 305 ? 27.240 9.181 7.584 1.00 39.70 ? 646 GLU A C 1 ATOM 2326 O O . GLU A 1 305 ? 28.459 9.144 7.463 1.00 41.77 ? 646 GLU A O 1 ATOM 2327 C CB . GLU A 1 305 ? 25.660 9.702 5.712 1.00 44.33 ? 646 GLU A CB 1 ATOM 2328 C CG . GLU A 1 305 ? 26.419 10.046 4.439 1.00 50.00 ? 646 GLU A CG 1 ATOM 2329 C CD . GLU A 1 305 ? 26.133 11.455 3.934 1.00 53.60 ? 646 GLU A CD 1 ATOM 2330 O OE1 . GLU A 1 305 ? 24.991 11.729 3.497 1.00 55.76 ? 646 GLU A OE1 1 ATOM 2331 O OE2 . GLU A 1 305 ? 27.060 12.297 3.979 1.00 55.72 ? 646 GLU A OE2 1 ATOM 2332 N N . CYS A 1 306 ? 26.639 9.723 8.638 1.00 37.80 ? 647 CYS A N 1 ATOM 2333 C CA . CYS A 1 306 ? 27.411 10.331 9.714 1.00 36.15 ? 647 CYS A CA 1 ATOM 2334 C C . CYS A 1 306 ? 26.559 10.505 10.961 1.00 33.83 ? 647 CYS A C 1 ATOM 2335 O O . CYS A 1 306 ? 25.348 10.309 10.942 1.00 32.80 ? 647 CYS A O 1 ATOM 2336 C CB . CYS A 1 306 ? 27.918 11.718 9.288 1.00 37.47 ? 647 CYS A CB 1 ATOM 2337 S SG . CYS A 1 306 ? 26.608 12.981 9.414 1.00 38.48 ? 647 CYS A SG 1 ATOM 2338 N N . LEU A 1 307 ? 27.221 10.875 12.049 1.00 32.81 ? 648 LEU A N 1 ATOM 2339 C CA . LEU A 1 307 ? 26.557 11.161 13.303 1.00 31.35 ? 648 LEU A CA 1 ATOM 2340 C C . LEU A 1 307 ? 26.454 12.689 13.269 1.00 32.56 ? 648 LEU A C 1 ATOM 2341 O O . LEU A 1 307 ? 27.461 13.385 13.095 1.00 32.62 ? 648 LEU A O 1 ATOM 2342 C CB . LEU A 1 307 ? 27.412 10.667 14.469 1.00 30.93 ? 648 LEU A CB 1 ATOM 2343 C CG . LEU A 1 307 ? 27.529 9.140 14.582 1.00 32.51 ? 648 LEU A CG 1 ATOM 2344 C CD1 . LEU A 1 307 ? 28.552 8.766 15.646 1.00 32.81 ? 648 LEU A CD1 1 ATOM 2345 C CD2 . LEU A 1 307 ? 26.163 8.566 14.932 1.00 31.97 ? 648 LEU A CD2 1 ATOM 2346 N N . ALA A 1 308 ? 25.240 13.212 13.424 1.00 32.17 ? 649 ALA A N 1 ATOM 2347 C CA . ALA A 1 308 ? 25.011 14.653 13.349 1.00 31.96 ? 649 ALA A CA 1 ATOM 2348 C C . ALA A 1 308 ? 24.752 15.342 14.683 1.00 32.93 ? 649 ALA A C 1 ATOM 2349 O O . ALA A 1 308 ? 24.295 14.715 15.646 1.00 31.81 ? 649 ALA A O 1 ATOM 2350 C CB . ALA A 1 308 ? 23.846 14.931 12.403 1.00 30.97 ? 649 ALA A CB 1 ATOM 2351 N N . LYS A 1 309 ? 25.053 16.638 14.734 1.00 33.39 ? 650 LYS A N 1 ATOM 2352 C CA . LYS A 1 309 ? 24.817 17.416 15.945 1.00 36.04 ? 650 LYS A CA 1 ATOM 2353 C C . LYS A 1 309 ? 23.324 17.630 16.016 1.00 36.41 ? 650 LYS A C 1 ATOM 2354 O O . LYS A 1 309 ? 22.629 17.500 15.014 1.00 37.76 ? 650 LYS A O 1 ATOM 2355 C CB . LYS A 1 309 ? 25.528 18.773 15.896 1.00 33.88 ? 650 LYS A CB 1 ATOM 2356 C CG . LYS A 1 309 ? 27.033 18.689 15.938 1.00 38.90 ? 650 LYS A CG 1 ATOM 2357 C CD . LYS A 1 309 ? 27.643 20.062 16.129 1.00 40.07 ? 650 LYS A CD 1 ATOM 2358 C CE . LYS A 1 309 ? 29.126 20.047 15.812 1.00 42.80 ? 650 LYS A CE 1 ATOM 2359 N NZ . LYS A 1 309 ? 29.705 21.422 15.893 1.00 43.46 ? 650 LYS A NZ 1 ATOM 2360 N N . LEU A 1 310 ? 22.827 17.986 17.166 1.00 37.42 ? 651 LEU A N 1 ATOM 2361 C CA . LEU A 1 310 ? 21.423 18.151 17.311 1.00 39.43 ? 651 LEU A CA 1 ATOM 2362 C C . LEU A 1 310 ? 20.908 19.573 17.086 1.00 41.62 ? 651 LEU A C 1 ATOM 2363 O O . LEU A 1 310 ? 20.057 19.797 16.281 1.00 44.35 ? 651 LEU A O 1 ATOM 2364 C CB . LEU A 1 310 ? 20.952 17.489 18.594 1.00 38.72 ? 651 LEU A CB 1 ATOM 2365 C CG . LEU A 1 310 ? 21.171 15.985 18.459 1.00 39.20 ? 651 LEU A CG 1 ATOM 2366 C CD1 . LEU A 1 310 ? 20.873 15.298 19.658 1.00 39.68 ? 651 LEU A CD1 1 ATOM 2367 C CD2 . LEU A 1 310 ? 20.337 15.447 17.396 1.00 39.76 ? 651 LEU A CD2 1 ATOM 2368 N N . GLY A 1 311 ? 21.435 20.551 17.764 1.00 42.97 ? 652 GLY A N 1 ATOM 2369 C CA . GLY A 1 311 ? 20.927 21.897 17.566 1.00 44.44 ? 652 GLY A CA 1 ATOM 2370 C C . GLY A 1 311 ? 19.607 22.041 18.285 1.00 44.92 ? 652 GLY A C 1 ATOM 2371 O O . GLY A 1 311 ? 18.651 21.329 18.000 1.00 44.98 ? 652 GLY A O 1 ATOM 2372 N N . GLY A 1 312 ? 19.554 22.983 19.215 1.00 44.56 ? 653 GLY A N 1 ATOM 2373 C CA . GLY A 1 312 ? 18.352 23.172 19.995 1.00 42.80 ? 653 GLY A CA 1 ATOM 2374 C C . GLY A 1 312 ? 18.639 22.509 21.324 1.00 41.93 ? 653 GLY A C 1 ATOM 2375 O O . GLY A 1 312 ? 17.840 22.586 22.258 1.00 42.54 ? 653 GLY A O 1 ATOM 2376 N N . ARG A 1 313 ? 19.803 21.868 21.405 1.00 39.69 ? 654 ARG A N 1 ATOM 2377 C CA . ARG A 1 313 ? 20.223 21.179 22.621 1.00 38.39 ? 654 ARG A CA 1 ATOM 2378 C C . ARG A 1 313 ? 18.985 20.543 23.228 1.00 34.96 ? 654 ARG A C 1 ATOM 2379 O O . ARG A 1 313 ? 18.641 20.807 24.384 1.00 33.72 ? 654 ARG A O 1 ATOM 2380 C CB . ARG A 1 313 ? 20.802 22.186 23.603 1.00 41.74 ? 654 ARG A CB 1 ATOM 2381 C CG . ARG A 1 313 ? 22.001 22.926 23.079 1.00 47.39 ? 654 ARG A CG 1 ATOM 2382 C CD . ARG A 1 313 ? 23.007 23.059 24.194 1.00 52.44 ? 654 ARG A CD 1 ATOM 2383 N NE . ARG A 1 313 ? 24.357 22.754 23.739 1.00 55.85 ? 654 ARG A NE 1 ATOM 2384 C CZ . ARG A 1 313 ? 25.275 22.146 24.482 1.00 57.88 ? 654 ARG A CZ 1 ATOM 2385 N NH1 . ARG A 1 313 ? 24.990 21.770 25.723 1.00 56.06 ? 654 ARG A NH1 1 ATOM 2386 N NH2 . ARG A 1 313 ? 26.477 21.911 23.976 1.00 58.81 ? 654 ARG A NH2 1 ATOM 2387 N N . PRO A 1 314 ? 18.302 19.689 22.456 1.00 31.46 ? 655 PRO A N 1 ATOM 2388 C CA . PRO A 1 314 ? 17.077 19.023 22.894 1.00 30.60 ? 655 PRO A CA 1 ATOM 2389 C C . PRO A 1 314 ? 17.130 18.017 24.039 1.00 30.73 ? 655 PRO A C 1 ATOM 2390 O O . PRO A 1 314 ? 18.081 17.240 24.183 1.00 29.33 ? 655 PRO A O 1 ATOM 2391 C CB . PRO A 1 314 ? 16.576 18.386 21.607 1.00 29.67 ? 655 PRO A CB 1 ATOM 2392 C CG . PRO A 1 314 ? 17.842 17.907 21.009 1.00 30.01 ? 655 PRO A CG 1 ATOM 2393 C CD . PRO A 1 314 ? 18.803 19.078 21.212 1.00 29.11 ? 655 PRO A CD 1 ATOM 2394 N N . THR A 1 315 ? 16.093 18.059 24.867 1.00 29.78 ? 656 THR A N 1 ATOM 2395 C CA . THR A 1 315 ? 15.957 17.107 25.944 1.00 30.49 ? 656 THR A CA 1 ATOM 2396 C C . THR A 1 315 ? 15.457 15.883 25.169 1.00 30.22 ? 656 THR A C 1 ATOM 2397 O O . THR A 1 315 ? 15.205 15.968 23.958 1.00 27.97 ? 656 THR A O 1 ATOM 2398 C CB . THR A 1 315 ? 14.890 17.554 26.958 1.00 29.31 ? 656 THR A CB 1 ATOM 2399 O OG1 . THR A 1 315 ? 13.603 17.519 26.329 1.00 30.66 ? 656 THR A OG1 1 ATOM 2400 C CG2 . THR A 1 315 ? 15.176 18.971 27.445 1.00 27.97 ? 656 THR A CG2 1 ATOM 2401 N N . TYR A 1 316 ? 15.293 14.757 25.844 1.00 30.40 ? 657 TYR A N 1 ATOM 2402 C CA . TYR A 1 316 ? 14.842 13.561 25.149 1.00 32.59 ? 657 TYR A CA 1 ATOM 2403 C C . TYR A 1 316 ? 13.382 13.678 24.683 1.00 32.85 ? 657 TYR A C 1 ATOM 2404 O O . TYR A 1 316 ? 13.003 13.078 23.669 1.00 31.49 ? 657 TYR A O 1 ATOM 2405 C CB . TYR A 1 316 ? 15.036 12.329 26.048 1.00 30.54 ? 657 TYR A CB 1 ATOM 2406 C CG . TYR A 1 316 ? 13.893 12.081 27.001 1.00 30.15 ? 657 TYR A CG 1 ATOM 2407 C CD1 . TYR A 1 316 ? 12.787 11.324 26.606 1.00 30.33 ? 657 TYR A CD1 1 ATOM 2408 C CD2 . TYR A 1 316 ? 13.896 12.618 28.291 1.00 29.74 ? 657 TYR A CD2 1 ATOM 2409 C CE1 . TYR A 1 316 ? 11.710 11.109 27.472 1.00 31.73 ? 657 TYR A CE1 1 ATOM 2410 C CE2 . TYR A 1 316 ? 12.818 12.406 29.169 1.00 29.44 ? 657 TYR A CE2 1 ATOM 2411 C CZ . TYR A 1 316 ? 11.735 11.652 28.748 1.00 31.07 ? 657 TYR A CZ 1 ATOM 2412 O OH . TYR A 1 316 ? 10.673 11.435 29.599 1.00 35.97 ? 657 TYR A OH 1 ATOM 2413 N N . GLU A 1 317 ? 12.566 14.444 25.409 1.00 32.66 ? 658 GLU A N 1 ATOM 2414 C CA . GLU A 1 317 ? 11.165 14.604 25.013 1.00 34.16 ? 658 GLU A CA 1 ATOM 2415 C C . GLU A 1 317 ? 11.048 15.465 23.761 1.00 33.08 ? 658 GLU A C 1 ATOM 2416 O O . GLU A 1 317 ? 10.211 15.200 22.898 1.00 32.75 ? 658 GLU A O 1 ATOM 2417 C CB . GLU A 1 317 ? 10.322 15.221 26.137 1.00 37.93 ? 658 GLU A CB 1 ATOM 2418 C CG . GLU A 1 317 ? 10.112 14.309 27.340 1.00 43.65 ? 658 GLU A CG 1 ATOM 2419 C CD . GLU A 1 317 ? 9.072 14.846 28.312 1.00 46.78 ? 658 GLU A CD 1 ATOM 2420 O OE1 . GLU A 1 317 ? 8.904 16.082 28.377 1.00 49.39 ? 658 GLU A OE1 1 ATOM 2421 O OE2 . GLU A 1 317 ? 8.431 14.035 29.017 1.00 50.05 ? 658 GLU A OE2 1 ATOM 2422 N N . GLU A 1 318 ? 11.881 16.498 23.660 1.00 30.08 ? 659 GLU A N 1 ATOM 2423 C CA . GLU A 1 318 ? 11.859 17.354 22.476 1.00 29.01 ? 659 GLU A CA 1 ATOM 2424 C C . GLU A 1 318 ? 12.438 16.596 21.292 1.00 29.12 ? 659 GLU A C 1 ATOM 2425 O O . GLU A 1 318 ? 12.004 16.775 20.157 1.00 28.79 ? 659 GLU A O 1 ATOM 2426 C CB . GLU A 1 318 ? 12.709 18.601 22.686 1.00 29.92 ? 659 GLU A CB 1 ATOM 2427 C CG . GLU A 1 318 ? 12.200 19.561 23.722 1.00 29.83 ? 659 GLU A CG 1 ATOM 2428 C CD . GLU A 1 318 ? 13.169 20.689 23.945 1.00 31.01 ? 659 GLU A CD 1 ATOM 2429 O OE1 . GLU A 1 318 ? 14.322 20.400 24.316 1.00 32.58 ? 659 GLU A OE1 1 ATOM 2430 O OE2 . GLU A 1 318 ? 12.783 21.858 23.746 1.00 35.22 ? 659 GLU A OE2 1 ATOM 2431 N N . TYR A 1 319 ? 13.441 15.763 21.563 1.00 28.91 ? 660 TYR A N 1 ATOM 2432 C CA . TYR A 1 319 ? 14.084 14.989 20.512 1.00 28.44 ? 660 TYR A CA 1 ATOM 2433 C C . TYR A 1 319 ? 13.129 13.960 19.935 1.00 28.57 ? 660 TYR A C 1 ATOM 2434 O O . TYR A 1 319 ? 13.058 13.792 18.729 1.00 26.99 ? 660 TYR A O 1 ATOM 2435 C CB . TYR A 1 319 ? 15.341 14.260 21.015 1.00 26.88 ? 660 TYR A CB 1 ATOM 2436 C CG . TYR A 1 319 ? 16.003 13.447 19.918 1.00 26.54 ? 660 TYR A CG 1 ATOM 2437 C CD1 . TYR A 1 319 ? 16.799 14.064 18.955 1.00 25.44 ? 660 TYR A CD1 1 ATOM 2438 C CD2 . TYR A 1 319 ? 15.736 12.081 19.773 1.00 24.54 ? 660 TYR A CD2 1 ATOM 2439 C CE1 . TYR A 1 319 ? 17.304 13.349 17.868 1.00 23.93 ? 660 TYR A CE1 1 ATOM 2440 C CE2 . TYR A 1 319 ? 16.236 11.357 18.689 1.00 22.66 ? 660 TYR A CE2 1 ATOM 2441 C CZ . TYR A 1 319 ? 17.013 12.001 17.741 1.00 23.31 ? 660 TYR A CZ 1 ATOM 2442 O OH . TYR A 1 319 ? 17.460 11.314 16.640 1.00 21.30 ? 660 TYR A OH 1 ATOM 2443 N N . LEU A 1 320 ? 12.402 13.262 20.796 1.00 28.60 ? 661 LEU A N 1 ATOM 2444 C CA . LEU A 1 320 ? 11.473 12.253 20.308 1.00 31.17 ? 661 LEU A CA 1 ATOM 2445 C C . LEU A 1 320 ? 10.223 12.914 19.740 1.00 33.05 ? 661 LEU A C 1 ATOM 2446 O O . LEU A 1 320 ? 9.551 12.333 18.889 1.00 32.83 ? 661 LEU A O 1 ATOM 2447 C CB . LEU A 1 320 ? 11.090 11.268 21.427 1.00 25.82 ? 661 LEU A CB 1 ATOM 2448 C CG . LEU A 1 320 ? 12.237 10.395 21.966 1.00 27.30 ? 661 LEU A CG 1 ATOM 2449 C CD1 . LEU A 1 320 ? 11.709 9.456 23.046 1.00 24.43 ? 661 LEU A CD1 1 ATOM 2450 C CD2 . LEU A 1 320 ? 12.874 9.586 20.824 1.00 24.23 ? 661 LEU A CD2 1 ATOM 2451 N N . GLY A 1 321 ? 9.937 14.138 20.185 1.00 34.31 ? 662 GLY A N 1 ATOM 2452 C CA . GLY A 1 321 ? 8.752 14.838 19.720 1.00 35.44 ? 662 GLY A CA 1 ATOM 2453 C C . GLY A 1 321 ? 7.555 14.482 20.581 1.00 38.22 ? 662 GLY A C 1 ATOM 2454 O O . GLY A 1 321 ? 7.345 13.315 20.906 1.00 37.73 ? 662 GLY A O 1 ATOM 2455 N N . THR A 1 322 ? 6.756 15.479 20.943 1.00 41.80 ? 663 THR A N 1 ATOM 2456 C CA . THR A 1 322 ? 5.585 15.259 21.793 1.00 44.93 ? 663 THR A CA 1 ATOM 2457 C C . THR A 1 322 ? 4.556 14.289 21.219 1.00 45.50 ? 663 THR A C 1 ATOM 2458 O O . THR A 1 322 ? 3.777 13.707 21.965 1.00 46.62 ? 663 THR A O 1 ATOM 2459 C CB . THR A 1 322 ? 4.866 16.596 22.114 1.00 45.48 ? 663 THR A CB 1 ATOM 2460 O OG1 . THR A 1 322 ? 5.833 17.651 22.208 1.00 47.91 ? 663 THR A OG1 1 ATOM 2461 C CG2 . THR A 1 322 ? 4.142 16.503 23.454 1.00 44.96 ? 663 THR A CG2 1 ATOM 2462 N N . GLU A 1 323 ? 4.537 14.112 19.902 1.00 47.49 ? 664 GLU A N 1 ATOM 2463 C CA . GLU A 1 323 ? 3.573 13.189 19.291 1.00 49.20 ? 664 GLU A CA 1 ATOM 2464 C C . GLU A 1 323 ? 3.935 11.760 19.670 1.00 48.03 ? 664 GLU A C 1 ATOM 2465 O O . GLU A 1 323 ? 3.100 10.986 20.142 1.00 48.07 ? 664 GLU A O 1 ATOM 2466 C CB . GLU A 1 323 ? 3.598 13.313 17.763 1.00 52.40 ? 664 GLU A CB 1 ATOM 2467 C CG . GLU A 1 323 ? 2.565 12.450 17.031 1.00 58.63 ? 664 GLU A CG 1 ATOM 2468 C CD . GLU A 1 323 ? 2.928 12.225 15.565 1.00 62.25 ? 664 GLU A CD 1 ATOM 2469 O OE1 . GLU A 1 323 ? 2.026 11.902 14.757 1.00 64.17 ? 664 GLU A OE1 1 ATOM 2470 O OE2 . GLU A 1 323 ? 4.125 12.364 15.224 1.00 64.67 ? 664 GLU A OE2 1 ATOM 2471 N N . TYR A 1 324 ? 5.198 11.417 19.453 1.00 45.02 ? 665 TYR A N 1 ATOM 2472 C CA . TYR A 1 324 ? 5.679 10.078 19.737 1.00 42.05 ? 665 TYR A CA 1 ATOM 2473 C C . TYR A 1 324 ? 5.796 9.756 21.220 1.00 41.51 ? 665 TYR A C 1 ATOM 2474 O O . TYR A 1 324 ? 5.712 8.595 21.608 1.00 39.17 ? 665 TYR A O 1 ATOM 2475 C CB . TYR A 1 324 ? 7.025 9.851 19.033 1.00 39.46 ? 665 TYR A CB 1 ATOM 2476 C CG . TYR A 1 324 ? 7.599 8.462 19.211 1.00 37.46 ? 665 TYR A CG 1 ATOM 2477 C CD1 . TYR A 1 324 ? 6.820 7.324 18.978 1.00 35.73 ? 665 TYR A CD1 1 ATOM 2478 C CD2 . TYR A 1 324 ? 8.925 8.285 19.598 1.00 35.39 ? 665 TYR A CD2 1 ATOM 2479 C CE1 . TYR A 1 324 ? 7.353 6.046 19.134 1.00 34.79 ? 665 TYR A CE1 1 ATOM 2480 C CE2 . TYR A 1 324 ? 9.472 7.016 19.751 1.00 32.15 ? 665 TYR A CE2 1 ATOM 2481 C CZ . TYR A 1 324 ? 8.682 5.904 19.521 1.00 32.58 ? 665 TYR A CZ 1 ATOM 2482 O OH . TYR A 1 324 ? 9.219 4.651 19.693 1.00 30.46 ? 665 TYR A OH 1 ATOM 2483 N N . VAL A 1 325 ? 5.982 10.773 22.053 1.00 42.73 ? 666 VAL A N 1 ATOM 2484 C CA . VAL A 1 325 ? 6.110 10.540 23.488 1.00 43.44 ? 666 VAL A CA 1 ATOM 2485 C C . VAL A 1 325 ? 4.773 10.228 24.147 1.00 44.66 ? 666 VAL A C 1 ATOM 2486 O O . VAL A 1 325 ? 4.719 9.491 25.130 1.00 46.13 ? 666 VAL A O 1 ATOM 2487 C CB . VAL A 1 325 ? 6.762 11.745 24.209 1.00 42.72 ? 666 VAL A CB 1 ATOM 2488 C CG1 . VAL A 1 325 ? 6.649 11.577 25.712 1.00 42.12 ? 666 VAL A CG1 1 ATOM 2489 C CG2 . VAL A 1 325 ? 8.229 11.853 23.811 1.00 41.61 ? 666 VAL A CG2 1 ATOM 2490 N N . THR A 1 326 ? 3.685 10.779 23.623 1.00 45.91 ? 667 THR A N 1 ATOM 2491 C CA . THR A 1 326 ? 2.387 10.475 24.217 1.00 46.15 ? 667 THR A CA 1 ATOM 2492 C C . THR A 1 326 ? 1.946 9.095 23.735 1.00 43.93 ? 667 THR A C 1 ATOM 2493 O O . THR A 1 326 ? 1.267 8.365 24.452 1.00 44.58 ? 667 THR A O 1 ATOM 2494 C CB . THR A 1 326 ? 1.311 11.539 23.862 1.00 47.36 ? 667 THR A CB 1 ATOM 2495 O OG1 . THR A 1 326 ? 1.192 11.657 22.439 1.00 51.15 ? 667 THR A OG1 1 ATOM 2496 C CG2 . THR A 1 326 ? 1.691 12.889 24.450 1.00 46.32 ? 667 THR A CG2 1 ATOM 2497 N N . ALA A 1 327 ? 2.347 8.730 22.523 1.00 42.55 ? 668 ALA A N 1 ATOM 2498 C CA . ALA A 1 327 ? 1.995 7.419 21.994 1.00 40.23 ? 668 ALA A CA 1 ATOM 2499 C C . ALA A 1 327 ? 2.550 6.322 22.906 1.00 40.03 ? 668 ALA A C 1 ATOM 2500 O O . ALA A 1 327 ? 1.846 5.372 23.246 1.00 40.50 ? 668 ALA A O 1 ATOM 2501 C CB . ALA A 1 327 ? 2.549 7.254 20.577 1.00 38.25 ? 668 ALA A CB 1 ATOM 2502 N N . ILE A 1 328 ? 3.808 6.466 23.318 1.00 39.02 ? 669 ILE A N 1 ATOM 2503 C CA . ILE A 1 328 ? 4.464 5.482 24.177 1.00 38.71 ? 669 ILE A CA 1 ATOM 2504 C C . ILE A 1 328 ? 3.891 5.423 25.589 1.00 40.24 ? 669 ILE A C 1 ATOM 2505 O O . ILE A 1 328 ? 3.835 4.351 26.200 1.00 40.29 ? 669 ILE A O 1 ATOM 2506 C CB . ILE A 1 328 ? 5.980 5.752 24.277 1.00 37.13 ? 669 ILE A CB 1 ATOM 2507 C CG1 . ILE A 1 328 ? 6.599 5.777 22.876 1.00 36.48 ? 669 ILE A CG1 1 ATOM 2508 C CG2 . ILE A 1 328 ? 6.636 4.682 25.136 1.00 35.39 ? 669 ILE A CG2 1 ATOM 2509 C CD1 . ILE A 1 328 ? 8.029 6.317 22.824 1.00 36.86 ? 669 ILE A CD1 1 ATOM 2510 N N . ALA A 1 329 ? 3.462 6.567 26.111 1.00 42.09 ? 670 ALA A N 1 ATOM 2511 C CA . ALA A 1 329 ? 2.896 6.596 27.453 1.00 43.39 ? 670 ALA A CA 1 ATOM 2512 C C . ALA A 1 329 ? 1.571 5.854 27.473 1.00 44.73 ? 670 ALA A C 1 ATOM 2513 O O . ALA A 1 329 ? 1.305 5.056 28.371 1.00 45.40 ? 670 ALA A O 1 ATOM 2514 C CB . ALA A 1 329 ? 2.697 8.029 27.909 1.00 43.60 ? 670 ALA A CB 1 ATOM 2515 N N . ASN A 1 330 ? 0.745 6.114 26.467 1.00 45.69 ? 671 ASN A N 1 ATOM 2516 C CA . ASN A 1 330 ? -0.554 5.466 26.376 1.00 47.79 ? 671 ASN A CA 1 ATOM 2517 C C . ASN A 1 330 ? -0.431 3.955 26.207 1.00 48.16 ? 671 ASN A C 1 ATOM 2518 O O . ASN A 1 330 ? -1.188 3.203 26.821 1.00 48.16 ? 671 ASN A O 1 ATOM 2519 C CB . ASN A 1 330 ? -1.372 6.072 25.230 1.00 49.63 ? 671 ASN A CB 1 ATOM 2520 C CG . ASN A 1 330 ? -2.271 7.211 25.696 1.00 52.24 ? 671 ASN A CG 1 ATOM 2521 O OD1 . ASN A 1 330 ? -3.111 7.031 26.584 1.00 54.46 ? 671 ASN A OD1 1 ATOM 2522 N ND2 . ASN A 1 330 ? -2.102 8.387 25.096 1.00 52.39 ? 671 ASN A ND2 1 ATOM 2523 N N . LEU A 1 331 ? 0.519 3.511 25.384 1.00 47.54 ? 672 LEU A N 1 ATOM 2524 C CA . LEU A 1 331 ? 0.730 2.082 25.163 1.00 46.34 ? 672 LEU A CA 1 ATOM 2525 C C . LEU A 1 331 ? 1.258 1.430 26.431 1.00 46.96 ? 672 LEU A C 1 ATOM 2526 O O . LEU A 1 331 ? 0.816 0.341 26.809 1.00 45.44 ? 672 LEU A O 1 ATOM 2527 C CB . LEU A 1 331 ? 1.720 1.841 24.013 1.00 44.92 ? 672 LEU A CB 1 ATOM 2528 C CG . LEU A 1 331 ? 2.264 0.413 23.841 1.00 44.13 ? 672 LEU A CG 1 ATOM 2529 C CD1 . LEU A 1 331 ? 1.166 -0.518 23.351 1.00 44.13 ? 672 LEU A CD1 1 ATOM 2530 C CD2 . LEU A 1 331 ? 3.423 0.436 22.850 1.00 43.20 ? 672 LEU A CD2 1 ATOM 2531 N N . LYS A 1 332 ? 2.200 2.086 27.099 1.00 48.33 ? 673 LYS A N 1 ATOM 2532 C CA . LYS A 1 332 ? 2.740 1.501 28.317 1.00 51.05 ? 673 LYS A CA 1 ATOM 2533 C C . LYS A 1 332 ? 1.717 1.426 29.437 1.00 53.22 ? 673 LYS A C 1 ATOM 2534 O O . LYS A 1 332 ? 1.976 0.802 30.462 1.00 53.67 ? 673 LYS A O 1 ATOM 2535 C CB . LYS A 1 332 ? 3.998 2.242 28.784 1.00 51.22 ? 673 LYS A CB 1 ATOM 2536 C CG . LYS A 1 332 ? 5.234 1.872 27.963 1.00 51.96 ? 673 LYS A CG 1 ATOM 2537 C CD . LYS A 1 332 ? 6.524 2.345 28.614 1.00 52.46 ? 673 LYS A CD 1 ATOM 2538 C CE . LYS A 1 332 ? 7.722 2.195 27.677 1.00 51.52 ? 673 LYS A CE 1 ATOM 2539 N NZ . LYS A 1 332 ? 8.243 0.796 27.520 1.00 53.64 ? 673 LYS A NZ 1 ATOM 2540 N N . LYS A 1 333 ? 0.558 2.057 29.246 1.00 55.27 ? 674 LYS A N 1 ATOM 2541 C CA . LYS A 1 333 ? -0.513 2.009 30.247 1.00 57.17 ? 674 LYS A CA 1 ATOM 2542 C C . LYS A 1 333 ? -1.039 0.583 30.265 1.00 57.41 ? 674 LYS A C 1 ATOM 2543 O O . LYS A 1 333 ? -1.595 0.112 31.252 1.00 58.44 ? 674 LYS A O 1 ATOM 2544 C CB . LYS A 1 333 ? -1.663 2.955 29.868 1.00 58.28 ? 674 LYS A CB 1 ATOM 2545 C CG . LYS A 1 333 ? -1.405 4.427 30.125 1.00 61.04 ? 674 LYS A CG 1 ATOM 2546 C CD . LYS A 1 333 ? -1.238 4.715 31.616 1.00 63.63 ? 674 LYS A CD 1 ATOM 2547 C CE . LYS A 1 333 ? -2.496 4.372 32.407 1.00 64.94 ? 674 LYS A CE 1 ATOM 2548 N NZ . LYS A 1 333 ? -2.265 4.504 33.878 1.00 65.18 ? 674 LYS A NZ 1 ATOM 2549 N N . CYS A 1 334 ? -0.848 -0.084 29.135 1.00 57.56 ? 675 CYS A N 1 ATOM 2550 C CA . CYS A 1 334 ? -1.276 -1.454 28.925 1.00 58.27 ? 675 CYS A CA 1 ATOM 2551 C C . CYS A 1 334 ? -0.401 -2.504 29.609 1.00 60.04 ? 675 CYS A C 1 ATOM 2552 O O . CYS A 1 334 ? -0.687 -3.698 29.526 1.00 60.24 ? 675 CYS A O 1 ATOM 2553 C CB . CYS A 1 334 ? -1.320 -1.742 27.427 1.00 56.69 ? 675 CYS A CB 1 ATOM 2554 S SG . CYS A 1 334 ? -2.794 -1.135 26.548 1.00 57.28 ? 675 CYS A SG 1 ATOM 2555 N N . SER A 1 335 ? 0.662 -2.072 30.280 1.00 61.76 ? 676 SER A N 1 ATOM 2556 C CA . SER A 1 335 ? 1.558 -3.009 30.956 1.00 63.07 ? 676 SER A CA 1 ATOM 2557 C C . SER A 1 335 ? 1.927 -2.567 32.370 1.00 63.55 ? 676 SER A C 1 ATOM 2558 O O . SER A 1 335 ? 1.439 -3.132 33.351 1.00 64.33 ? 676 SER A O 1 ATOM 2559 C CB . SER A 1 335 ? 2.835 -3.210 30.133 1.00 62.92 ? 676 SER A CB 1 ATOM 2560 O OG . SER A 1 335 ? 2.570 -3.974 28.970 1.00 63.36 ? 676 SER A OG 1 ATOM 2561 N N . LEU A 1 340 ? 2.559 8.137 35.210 1.00 83.85 ? 681 LEU A N 1 ATOM 2562 C CA . LEU A 1 340 ? 3.065 8.901 34.078 1.00 83.86 ? 681 LEU A CA 1 ATOM 2563 C C . LEU A 1 340 ? 4.585 9.116 34.081 1.00 83.32 ? 681 LEU A C 1 ATOM 2564 O O . LEU A 1 340 ? 5.177 9.258 33.013 1.00 83.68 ? 681 LEU A O 1 ATOM 2565 C CB . LEU A 1 340 ? 2.353 10.261 33.987 1.00 84.40 ? 681 LEU A CB 1 ATOM 2566 C CG . LEU A 1 340 ? 0.917 10.273 33.438 1.00 84.33 ? 681 LEU A CG 1 ATOM 2567 C CD1 . LEU A 1 340 ? -0.088 10.037 34.556 1.00 84.58 ? 681 LEU A CD1 1 ATOM 2568 C CD2 . LEU A 1 340 ? 0.649 11.614 32.777 1.00 83.82 ? 681 LEU A CD2 1 ATOM 2569 N N . GLU A 1 341 ? 5.226 9.125 35.260 1.00 82.36 ? 682 GLU A N 1 ATOM 2570 C CA . GLU A 1 341 ? 6.681 9.349 35.360 1.00 81.00 ? 682 GLU A CA 1 ATOM 2571 C C . GLU A 1 341 ? 7.432 8.495 36.360 1.00 79.47 ? 682 GLU A C 1 ATOM 2572 O O . GLU A 1 341 ? 6.883 8.101 37.374 1.00 79.64 ? 682 GLU A O 1 ATOM 2573 C CB . GLU A 1 341 ? 6.980 10.772 35.768 1.00 82.08 ? 682 GLU A CB 1 ATOM 2574 C CG . GLU A 1 341 ? 7.243 10.865 37.235 1.00 83.88 ? 682 GLU A CG 1 ATOM 2575 C CD . GLU A 1 341 ? 8.133 12.016 37.617 1.00 85.21 ? 682 GLU A CD 1 ATOM 2576 O OE1 . GLU A 1 341 ? 8.253 12.959 36.833 1.00 85.99 ? 682 GLU A OE1 1 ATOM 2577 O OE2 . GLU A 1 341 ? 8.724 11.969 38.707 1.00 85.65 ? 682 GLU A OE2 1 ATOM 2578 N N . ALA A 1 342 ? 8.718 8.272 36.074 1.00 77.03 ? 683 ALA A N 1 ATOM 2579 C CA . ALA A 1 342 ? 9.651 7.511 36.921 1.00 74.28 ? 683 ALA A CA 1 ATOM 2580 C C . ALA A 1 342 ? 10.548 6.524 36.169 1.00 71.96 ? 683 ALA A C 1 ATOM 2581 O O . ALA A 1 342 ? 10.092 5.802 35.286 1.00 71.31 ? 683 ALA A O 1 ATOM 2582 C CB . ALA A 1 342 ? 8.902 6.770 38.034 1.00 74.51 ? 683 ALA A CB 1 ATOM 2583 N N . CYS A 1 343 ? 11.827 6.496 36.540 1.00 68.27 ? 684 CYS A N 1 ATOM 2584 C CA . CYS A 1 343 ? 12.812 5.602 35.928 1.00 64.59 ? 684 CYS A CA 1 ATOM 2585 C C . CYS A 1 343 ? 12.623 4.158 36.400 1.00 65.37 ? 684 CYS A C 1 ATOM 2586 O O . CYS A 1 343 ? 12.358 3.901 37.573 1.00 65.46 ? 684 CYS A O 1 ATOM 2587 C CB . CYS A 1 343 ? 14.231 6.098 36.252 1.00 58.61 ? 684 CYS A CB 1 ATOM 2588 S SG . CYS A 1 343 ? 15.602 4.956 35.867 1.00 50.94 ? 684 CYS A SG 1 ATOM 2589 N N . ALA A 1 344 ? 12.791 3.225 35.470 1.00 66.35 ? 685 ALA A N 1 ATOM 2590 C CA . ALA A 1 344 ? 12.608 1.798 35.717 1.00 66.95 ? 685 ALA A CA 1 ATOM 2591 C C . ALA A 1 344 ? 13.645 1.063 36.564 1.00 67.47 ? 685 ALA A C 1 ATOM 2592 O O . ALA A 1 344 ? 13.313 0.076 37.225 1.00 67.74 ? 685 ALA A O 1 ATOM 2593 C CB . ALA A 1 344 ? 12.458 1.080 34.380 1.00 66.99 ? 685 ALA A CB 1 ATOM 2594 N N . PHE A 1 345 ? 14.889 1.528 36.549 1.00 67.89 ? 686 PHE A N 1 ATOM 2595 C CA . PHE A 1 345 ? 15.951 0.865 37.296 1.00 67.92 ? 686 PHE A CA 1 ATOM 2596 C C . PHE A 1 345 ? 16.372 1.677 38.509 1.00 68.03 ? 686 PHE A C 1 ATOM 2597 O O . PHE A 1 345 ? 15.566 1.913 39.404 1.00 68.57 ? 686 PHE A O 1 ATOM 2598 C CB . PHE A 1 345 ? 17.143 0.640 36.369 1.00 67.03 ? 686 PHE A CB 1 ATOM 2599 C CG . PHE A 1 345 ? 16.748 0.295 34.960 1.00 66.60 ? 686 PHE A CG 1 ATOM 2600 C CD1 . PHE A 1 345 ? 16.417 -1.009 34.610 1.00 66.07 ? 686 PHE A CD1 1 ATOM 2601 C CD2 . PHE A 1 345 ? 16.665 1.290 33.989 1.00 67.07 ? 686 PHE A CD2 1 ATOM 2602 C CE1 . PHE A 1 345 ? 16.008 -1.314 33.315 1.00 65.97 ? 686 PHE A CE1 1 ATOM 2603 C CE2 . PHE A 1 345 ? 16.257 0.994 32.692 1.00 66.44 ? 686 PHE A CE2 1 ATOM 2604 C CZ . PHE A 1 345 ? 15.928 -0.310 32.355 1.00 65.94 ? 686 PHE A CZ 1 HETATM 2605 C C1 . NAG B 2 . ? 42.968 9.343 20.342 1.00 49.76 ? 2 NAG A C1 1 HETATM 2606 C C2 . NAG B 2 . ? 43.512 9.738 18.995 1.00 45.16 ? 2 NAG A C2 1 HETATM 2607 C C3 . NAG B 2 . ? 44.718 10.621 19.213 1.00 50.39 ? 2 NAG A C3 1 HETATM 2608 C C4 . NAG B 2 . ? 44.204 11.864 19.864 1.00 51.60 ? 2 NAG A C4 1 HETATM 2609 C C5 . NAG B 2 . ? 43.675 11.400 21.185 1.00 50.82 ? 2 NAG A C5 1 HETATM 2610 C C6 . NAG B 2 . ? 43.232 12.607 21.987 1.00 49.66 ? 2 NAG A C6 1 HETATM 2611 C C7 . NAG B 2 . ? 43.023 7.995 17.422 1.00 45.16 ? 2 NAG A C7 1 HETATM 2612 C C8 . NAG B 2 . ? 43.570 6.979 16.492 1.00 48.63 ? 2 NAG A C8 1 HETATM 2613 N N2 . NAG B 2 . ? 43.889 8.591 18.215 1.00 46.65 ? 2 NAG A N2 1 HETATM 2614 O O3 . NAG B 2 . ? 45.367 10.994 18.035 1.00 50.04 ? 2 NAG A O3 1 HETATM 2615 O O4 . NAG B 2 . ? 45.243 12.794 20.023 1.00 49.27 ? 2 NAG A O4 1 HETATM 2616 O O5 . NAG B 2 . ? 42.602 10.548 20.929 1.00 51.22 ? 2 NAG A O5 1 HETATM 2617 O O6 . NAG B 2 . ? 42.666 13.586 21.158 1.00 49.76 ? 2 NAG A O6 1 HETATM 2618 O O7 . NAG B 2 . ? 41.843 8.237 17.440 1.00 48.36 ? 2 NAG A O7 1 HETATM 2619 C C1 . NAG C 2 . ? -3.371 5.953 20.782 1.00 33.00 ? 3 NAG A C1 1 HETATM 2620 C C2 . NAG C 2 . ? -2.352 6.771 19.995 1.00 35.07 ? 3 NAG A C2 1 HETATM 2621 C C3 . NAG C 2 . ? -1.919 8.019 20.762 1.00 36.19 ? 3 NAG A C3 1 HETATM 2622 C C4 . NAG C 2 . ? -3.126 8.793 21.296 1.00 37.60 ? 3 NAG A C4 1 HETATM 2623 C C5 . NAG C 2 . ? -4.086 7.839 21.996 1.00 36.28 ? 3 NAG A C5 1 HETATM 2624 C C6 . NAG C 2 . ? -5.345 8.571 22.443 1.00 36.31 ? 3 NAG A C6 1 HETATM 2625 C C7 . NAG C 2 . ? -0.739 5.868 18.424 1.00 34.64 ? 3 NAG A C7 1 HETATM 2626 C C8 . NAG C 2 . ? 0.468 5.003 18.213 1.00 34.42 ? 3 NAG A C8 1 HETATM 2627 N N2 . NAG C 2 . ? -1.191 5.963 19.671 1.00 34.63 ? 3 NAG A N2 1 HETATM 2628 O O3 . NAG C 2 . ? -1.177 8.858 19.903 1.00 35.89 ? 3 NAG A O3 1 HETATM 2629 O O4 . NAG C 2 . ? -2.723 9.804 22.203 1.00 41.13 ? 3 NAG A O4 1 HETATM 2630 O O5 . NAG C 2 . ? -4.454 6.792 21.123 1.00 34.35 ? 3 NAG A O5 1 HETATM 2631 O O6 . NAG C 2 . ? -5.785 9.419 21.406 1.00 37.14 ? 3 NAG A O6 1 HETATM 2632 O O7 . NAG C 2 . ? -1.262 6.446 17.472 1.00 35.46 ? 3 NAG A O7 1 HETATM 2633 C C1 . NAG D 2 . ? -3.047 11.131 21.882 1.00 44.81 ? 4 NAG A C1 1 HETATM 2634 C C2 . NAG D 2 . ? -3.167 12.070 23.050 1.00 46.41 ? 4 NAG A C2 1 HETATM 2635 C C3 . NAG D 2 . ? -3.571 13.472 22.604 1.00 48.07 ? 4 NAG A C3 1 HETATM 2636 C C4 . NAG D 2 . ? -2.705 14.036 21.514 1.00 49.45 ? 4 NAG A C4 1 HETATM 2637 C C5 . NAG D 2 . ? -2.642 12.972 20.426 1.00 48.16 ? 4 NAG A C5 1 HETATM 2638 C C6 . NAG D 2 . ? -1.618 13.267 19.345 1.00 48.14 ? 4 NAG A C6 1 HETATM 2639 C C7 . NAG D 2 . ? -4.003 11.070 25.117 1.00 46.46 ? 4 NAG A C7 1 HETATM 2640 C C8 . NAG D 2 . ? -5.194 10.492 25.780 1.00 46.41 ? 4 NAG A C8 1 HETATM 2641 N N2 . NAG D 2 . ? -4.160 11.579 23.942 1.00 46.39 ? 4 NAG A N2 1 HETATM 2642 O O3 . NAG D 2 . ? -3.540 14.223 23.767 1.00 48.68 ? 4 NAG A O3 1 HETATM 2643 O O4 . NAG D 2 . ? -3.117 15.280 20.958 1.00 52.69 ? 4 NAG A O4 1 HETATM 2644 O O5 . NAG D 2 . ? -2.340 11.677 20.861 1.00 46.48 ? 4 NAG A O5 1 HETATM 2645 O O6 . NAG D 2 . ? -0.283 13.267 19.784 1.00 48.00 ? 4 NAG A O6 1 HETATM 2646 O O7 . NAG D 2 . ? -2.980 11.025 25.694 1.00 46.81 ? 4 NAG A O7 1 HETATM 2647 C C1 . NAG E 2 . ? 13.491 4.433 1.386 1.00 53.90 ? 8 NAG A C1 1 HETATM 2648 C C2 . NAG E 2 . ? 13.523 5.748 0.591 1.00 52.66 ? 8 NAG A C2 1 HETATM 2649 C C3 . NAG E 2 . ? 14.461 5.838 -0.580 1.00 44.81 ? 8 NAG A C3 1 HETATM 2650 C C4 . NAG E 2 . ? 15.749 5.089 -0.375 1.00 44.69 ? 8 NAG A C4 1 HETATM 2651 C C5 . NAG E 2 . ? 15.561 3.696 0.263 1.00 44.98 ? 8 NAG A C5 1 HETATM 2652 C C6 . NAG E 2 . ? 16.916 3.176 0.739 1.00 44.29 ? 8 NAG A C6 1 HETATM 2653 C C7 . NAG E 2 . ? 11.399 6.768 0.828 1.00 47.70 ? 8 NAG A C7 1 HETATM 2654 C C8 . NAG E 2 . ? 10.028 7.111 0.277 1.00 47.70 ? 8 NAG A C8 1 HETATM 2655 N N2 . NAG E 2 . ? 12.201 6.028 0.088 1.00 49.69 ? 8 NAG A N2 1 HETATM 2656 O O3 . NAG E 2 . ? 14.770 7.212 -0.775 1.00 46.88 ? 8 NAG A O3 1 HETATM 2657 O O4 . NAG E 2 . ? 16.385 4.948 -1.645 1.00 49.12 ? 8 NAG A O4 1 HETATM 2658 O O5 . NAG E 2 . ? 14.751 3.741 1.461 1.00 43.75 ? 8 NAG A O5 1 HETATM 2659 O O6 . NAG E 2 . ? 17.190 3.566 2.090 1.00 42.87 ? 8 NAG A O6 1 HETATM 2660 O O7 . NAG E 2 . ? 11.735 7.163 1.937 1.00 48.20 ? 8 NAG A O7 1 HETATM 2661 C C1 . NAG F 2 . ? 17.744 5.349 -1.612 1.00 48.74 ? 9 NAG A C1 1 HETATM 2662 C C2 . NAG F 2 . ? 18.513 4.602 -2.691 1.00 48.50 ? 9 NAG A C2 1 HETATM 2663 C C3 . NAG F 2 . ? 19.783 5.301 -3.137 1.00 48.69 ? 9 NAG A C3 1 HETATM 2664 C C4 . NAG F 2 . ? 19.478 6.730 -3.381 1.00 49.96 ? 9 NAG A C4 1 HETATM 2665 C C5 . NAG F 2 . ? 18.988 7.255 -2.068 1.00 49.68 ? 9 NAG A C5 1 HETATM 2666 C C6 . NAG F 2 . ? 18.856 8.748 -2.163 1.00 48.70 ? 9 NAG A C6 1 HETATM 2667 C C7 . NAG F 2 . ? 18.800 2.211 -2.777 1.00 44.27 ? 9 NAG A C7 1 HETATM 2668 C C8 . NAG F 2 . ? 19.561 1.066 -2.242 1.00 42.74 ? 9 NAG A C8 1 HETATM 2669 N N2 . NAG F 2 . ? 18.980 3.358 -2.166 1.00 46.95 ? 9 NAG A N2 1 HETATM 2670 O O3 . NAG F 2 . ? 20.151 4.854 -4.392 1.00 47.78 ? 9 NAG A O3 1 HETATM 2671 O O4 . NAG F 2 . ? 20.638 7.364 -3.819 1.00 40.30 ? 9 NAG A O4 1 HETATM 2672 O O5 . NAG F 2 . ? 17.729 6.711 -1.862 1.00 49.72 ? 9 NAG A O5 1 HETATM 2673 O O6 . NAG F 2 . ? 17.966 9.128 -1.172 1.00 48.15 ? 9 NAG A O6 1 HETATM 2674 O O7 . NAG F 2 . ? 18.069 2.060 -3.708 1.00 42.56 ? 9 NAG A O7 1 HETATM 2675 S S . SO4 G 3 . ? -1.225 -6.518 -4.872 1.00 47.56 ? 68 SO4 A S 1 HETATM 2676 O O1 . SO4 G 3 . ? -1.103 -5.278 -4.150 1.00 47.09 ? 68 SO4 A O1 1 HETATM 2677 O O2 . SO4 G 3 . ? -2.589 -6.547 -5.396 1.00 48.16 ? 68 SO4 A O2 1 HETATM 2678 O O3 . SO4 G 3 . ? -0.195 -6.497 -5.910 1.00 48.81 ? 68 SO4 A O3 1 HETATM 2679 O O4 . SO4 G 3 . ? -1.062 -7.642 -3.966 1.00 48.13 ? 68 SO4 A O4 1 HETATM 2680 ZN ZN . ZN H 4 . ? 14.680 22.852 24.398 1.00 36.72 ? 81 ZN A ZN 1 HETATM 2681 ZN ZN . ZN I 4 . ? 3.323 10.460 7.332 1.00 42.17 ? 82 ZN A ZN 1 HETATM 2682 FE FE . FE J 5 . ? 14.409 2.000 15.125 1.00 18.12 ? 84 FE A FE 1 HETATM 2683 C C . CO3 K 6 . ? 12.917 -0.103 15.341 1.00 19.93 ? 85 CO3 A C 1 HETATM 2684 O O1 . CO3 K 6 . ? 14.193 -0.240 15.581 1.00 19.29 ? 85 CO3 A O1 1 HETATM 2685 O O2 . CO3 K 6 . ? 12.450 1.070 14.954 1.00 22.30 ? 85 CO3 A O2 1 HETATM 2686 O O3 . CO3 K 6 . ? 12.082 -1.076 15.455 1.00 18.74 ? 85 CO3 A O3 1 HETATM 2687 C C . LQZ L 7 . ? 16.175 19.393 16.300 0.50 44.31 ? 90 LQZ A C 1 HETATM 2688 N N . LQZ L 7 . ? 17.070 17.459 15.450 0.50 42.77 ? 90 LQZ A N 1 HETATM 2689 O O . LQZ L 7 . ? 15.988 19.810 17.445 0.50 44.76 ? 90 LQZ A O 1 HETATM 2690 C CA . LQZ L 7 . ? 17.333 18.473 16.467 0.50 42.99 ? 90 LQZ A CA 1 HETATM 2691 C CAA . LQZ L 7 . ? 14.704 17.207 14.850 0.50 41.68 ? 90 LQZ A CAA 1 HETATM 2692 C CAB . LQZ L 7 . ? 18.703 16.435 13.983 0.50 40.32 ? 90 LQZ A CAB 1 HETATM 2693 C CAC . LQZ L 7 . ? 13.587 20.405 16.474 0.50 44.42 ? 90 LQZ A CAC 1 HETATM 2694 C CAD . LQZ L 7 . ? 16.478 20.896 12.536 0.50 44.40 ? 90 LQZ A CAD 1 HETATM 2695 C CAF . LQZ L 7 . ? 12.920 21.889 13.165 0.50 45.29 ? 90 LQZ A CAF 1 HETATM 2696 C CAG . LQZ L 7 . ? 12.654 21.269 14.373 0.50 44.74 ? 90 LQZ A CAG 1 HETATM 2697 C CAH . LQZ L 7 . ? 14.160 21.757 12.575 0.50 44.45 ? 90 LQZ A CAH 1 HETATM 2698 C CAI . LQZ L 7 . ? 15.787 16.827 15.759 0.50 41.93 ? 90 LQZ A CAI 1 HETATM 2699 C CAJ . LQZ L 7 . ? 18.154 16.486 15.384 0.50 41.65 ? 90 LQZ A CAJ 1 HETATM 2700 N NAL . LQZ L 7 . ? 15.902 19.633 15.010 0.50 45.13 ? 90 LQZ A NAL 1 HETATM 2701 C CAN . LQZ L 7 . ? 13.641 20.529 14.987 0.50 44.56 ? 90 LQZ A CAN 1 HETATM 2702 C CAO . LQZ L 7 . ? 15.135 21.004 13.193 0.50 44.79 ? 90 LQZ A CAO 1 HETATM 2703 C CAP . LQZ L 7 . ? 14.886 20.398 14.411 0.50 44.75 ? 90 LQZ A CAP 1 HETATM 2704 O O . HOH M 8 . ? 23.683 -8.077 30.619 1.00 29.22 ? 1 HOH A O 1 HETATM 2705 O O . HOH M 8 . ? 37.865 17.741 36.415 1.00 67.31 ? 5 HOH A O 1 HETATM 2706 O O . HOH M 8 . ? 16.657 15.054 28.288 1.00 45.80 ? 6 HOH A O 1 HETATM 2707 O O . HOH M 8 . ? 15.796 -21.805 12.280 1.00 60.99 ? 7 HOH A O 1 HETATM 2708 O O . HOH M 8 . ? 22.617 0.252 -5.962 1.00 60.69 ? 10 HOH A O 1 HETATM 2709 O O . HOH M 8 . ? -7.672 -11.965 28.079 1.00 67.94 ? 11 HOH A O 1 HETATM 2710 O O . HOH M 8 . ? 32.364 16.820 8.008 1.00 62.65 ? 12 HOH A O 1 HETATM 2711 O O . HOH M 8 . ? 13.007 -8.074 28.204 1.00 49.35 ? 13 HOH A O 1 HETATM 2712 O O . HOH M 8 . ? 20.686 5.763 9.633 1.00 30.64 ? 14 HOH A O 1 HETATM 2713 O O . HOH M 8 . ? 10.619 -20.097 13.677 1.00 47.51 ? 15 HOH A O 1 HETATM 2714 O O . HOH M 8 . ? 22.062 -10.942 7.029 1.00 58.13 ? 16 HOH A O 1 HETATM 2715 O O . HOH M 8 . ? 24.920 -19.783 23.924 1.00 53.68 ? 17 HOH A O 1 HETATM 2716 O O . HOH M 8 . ? 16.847 4.361 8.114 1.00 42.24 ? 20 HOH A O 1 HETATM 2717 O O . HOH M 8 . ? 11.067 -4.312 -11.392 1.00 61.49 ? 21 HOH A O 1 HETATM 2718 O O . HOH M 8 . ? 21.344 1.933 14.903 1.00 40.47 ? 22 HOH A O 1 HETATM 2719 O O . HOH M 8 . ? 26.516 17.806 24.415 1.00 59.26 ? 24 HOH A O 1 HETATM 2720 O O . HOH M 8 . ? 13.876 -4.999 23.570 1.00 28.09 ? 25 HOH A O 1 HETATM 2721 O O . HOH M 8 . ? 9.806 2.115 24.766 1.00 31.77 ? 26 HOH A O 1 HETATM 2722 O O . HOH M 8 . ? 6.275 -0.401 11.723 1.00 27.51 ? 27 HOH A O 1 HETATM 2723 O O . HOH M 8 . ? 19.400 -0.705 14.400 1.00 31.25 ? 28 HOH A O 1 HETATM 2724 O O . HOH M 8 . ? 29.460 1.281 40.289 1.00 41.04 ? 29 HOH A O 1 HETATM 2725 O O . HOH M 8 . ? 11.096 -11.035 14.501 1.00 20.63 ? 30 HOH A O 1 HETATM 2726 O O . HOH M 8 . ? 12.893 5.538 5.903 1.00 28.07 ? 31 HOH A O 1 HETATM 2727 O O . HOH M 8 . ? 23.646 -10.990 13.166 1.00 48.99 ? 32 HOH A O 1 HETATM 2728 O O . HOH M 8 . ? 17.974 -5.072 23.520 1.00 29.61 ? 33 HOH A O 1 HETATM 2729 O O . HOH M 8 . ? 16.425 -4.490 26.443 1.00 30.56 ? 34 HOH A O 1 HETATM 2730 O O . HOH M 8 . ? 43.723 3.034 12.848 1.00 52.37 ? 36 HOH A O 1 HETATM 2731 O O . HOH M 8 . ? 29.752 21.708 18.547 1.00 56.65 ? 38 HOH A O 1 HETATM 2732 O O . HOH M 8 . ? 37.561 -2.633 24.881 1.00 44.05 ? 39 HOH A O 1 HETATM 2733 O O . HOH M 8 . ? 18.294 5.819 12.689 1.00 26.83 ? 41 HOH A O 1 HETATM 2734 O O . HOH M 8 . ? 39.300 14.586 21.947 1.00 84.78 ? 42 HOH A O 1 HETATM 2735 O O . HOH M 8 . ? 19.858 -10.169 13.843 1.00 62.54 ? 43 HOH A O 1 HETATM 2736 O O . HOH M 8 . ? -0.103 -10.470 19.735 1.00 35.55 ? 44 HOH A O 1 HETATM 2737 O O . HOH M 8 . ? 28.272 20.170 24.260 1.00 61.55 ? 45 HOH A O 1 HETATM 2738 O O . HOH M 8 . ? 10.445 13.100 32.401 1.00 58.14 ? 46 HOH A O 1 HETATM 2739 O O . HOH M 8 . ? -1.068 -16.923 5.805 1.00 54.82 ? 49 HOH A O 1 HETATM 2740 O O . HOH M 8 . ? 25.681 -10.536 7.320 1.00 49.26 ? 50 HOH A O 1 HETATM 2741 O O . HOH M 8 . ? 37.570 -4.812 26.950 1.00 70.20 ? 51 HOH A O 1 HETATM 2742 O O . HOH M 8 . ? 22.294 12.057 33.449 1.00 28.90 ? 52 HOH A O 1 HETATM 2743 O O . HOH M 8 . ? 19.467 -5.130 12.017 1.00 37.62 ? 53 HOH A O 1 HETATM 2744 O O . HOH M 8 . ? 25.725 -8.791 19.266 1.00 27.92 ? 54 HOH A O 1 HETATM 2745 O O . HOH M 8 . ? 26.644 -10.908 27.143 1.00 64.84 ? 55 HOH A O 1 HETATM 2746 O O . HOH M 8 . ? 25.825 1.482 19.857 1.00 24.51 ? 56 HOH A O 1 HETATM 2747 O O . HOH M 8 . ? 23.070 -0.065 3.586 1.00 58.89 ? 57 HOH A O 1 HETATM 2748 O O . HOH M 8 . ? 5.335 -20.057 11.042 1.00 39.40 ? 58 HOH A O 1 HETATM 2749 O O . HOH M 8 . ? 18.164 23.378 7.287 1.00 70.94 ? 59 HOH A O 1 HETATM 2750 O O . HOH M 8 . ? 28.360 7.226 32.528 1.00 27.74 ? 60 HOH A O 1 HETATM 2751 O O . HOH M 8 . ? 31.037 19.230 23.166 1.00 60.67 ? 61 HOH A O 1 HETATM 2752 O O . HOH M 8 . ? 15.640 -24.132 20.666 1.00 62.84 ? 62 HOH A O 1 HETATM 2753 O O . HOH M 8 . ? 19.993 22.187 0.311 1.00 80.01 ? 63 HOH A O 1 HETATM 2754 O O . HOH M 8 . ? 15.836 4.267 40.150 1.00 56.57 ? 64 HOH A O 1 HETATM 2755 O O . HOH M 8 . ? 42.338 -3.812 8.109 1.00 62.86 ? 66 HOH A O 1 HETATM 2756 O O . HOH M 8 . ? 25.168 -17.412 12.717 1.00 63.15 ? 67 HOH A O 1 HETATM 2757 O O . HOH M 8 . ? 13.138 -0.420 27.395 1.00 54.59 ? 69 HOH A O 1 HETATM 2758 O O . HOH M 8 . ? -0.651 4.156 5.732 1.00 29.95 ? 70 HOH A O 1 HETATM 2759 O O . HOH M 8 . ? 29.556 12.395 4.604 1.00 59.15 ? 71 HOH A O 1 HETATM 2760 O O . HOH M 8 . ? -2.511 5.861 3.937 1.00 52.39 ? 72 HOH A O 1 HETATM 2761 O O . HOH M 8 . ? 32.093 19.436 20.349 1.00 56.74 ? 73 HOH A O 1 HETATM 2762 O O . HOH M 8 . ? 25.352 -1.055 21.384 1.00 31.49 ? 74 HOH A O 1 HETATM 2763 O O . HOH M 8 . ? -7.687 -14.699 10.396 1.00 54.73 ? 75 HOH A O 1 HETATM 2764 O O . HOH M 8 . ? 5.266 -21.683 7.182 1.00 61.96 ? 77 HOH A O 1 HETATM 2765 O O . HOH M 8 . ? 45.734 15.613 21.631 1.00 61.03 ? 78 HOH A O 1 HETATM 2766 O O . HOH M 8 . ? 39.785 -2.517 27.257 1.00 69.69 ? 79 HOH A O 1 HETATM 2767 O O . HOH M 8 . ? 27.578 8.798 30.022 1.00 21.92 ? 83 HOH A O 1 HETATM 2768 O O . HOH M 8 . ? 31.817 16.041 5.185 1.00 61.23 ? 86 HOH A O 1 HETATM 2769 O O . HOH M 8 . ? -2.938 -10.935 28.007 1.00 60.96 ? 87 HOH A O 1 HETATM 2770 O O . HOH M 8 . ? 9.485 3.795 -0.991 1.00 50.78 ? 89 HOH A O 1 HETATM 2771 O O . HOH M 8 . ? 8.644 -22.274 15.068 1.00 62.74 ? 91 HOH A O 1 HETATM 2772 O O . HOH M 8 . ? 29.188 9.432 -1.296 1.00 70.39 ? 92 HOH A O 1 HETATM 2773 O O . HOH M 8 . ? 23.947 -13.695 14.578 1.00 43.44 ? 93 HOH A O 1 HETATM 2774 O O . HOH M 8 . ? 34.386 0.442 32.591 1.00 65.86 ? 95 HOH A O 1 HETATM 2775 O O . HOH M 8 . ? -8.909 -3.826 3.049 1.00 56.23 ? 96 HOH A O 1 HETATM 2776 O O . HOH M 8 . ? 7.685 -21.624 12.287 1.00 60.43 ? 99 HOH A O 1 HETATM 2777 O O . HOH M 8 . ? -6.741 5.561 6.633 1.00 63.87 ? 100 HOH A O 1 HETATM 2778 O O . HOH M 8 . ? 22.622 -4.055 1.999 1.00 52.61 ? 102 HOH A O 1 HETATM 2779 O O . HOH M 8 . ? 18.441 -3.556 14.319 1.00 36.29 ? 103 HOH A O 1 HETATM 2780 O O . HOH M 8 . ? 21.402 -4.691 15.005 1.00 39.54 ? 104 HOH A O 1 HETATM 2781 O O . HOH M 8 . ? 20.332 -3.615 19.034 1.00 33.30 ? 105 HOH A O 1 HETATM 2782 O O . HOH M 8 . ? 22.575 -4.854 17.611 1.00 28.21 ? 106 HOH A O 1 HETATM 2783 O O . HOH M 8 . ? 20.213 -1.606 21.217 1.00 28.39 ? 107 HOH A O 1 HETATM 2784 O O . HOH M 8 . ? 22.634 -0.222 20.878 1.00 28.04 ? 108 HOH A O 1 HETATM 2785 O O . HOH M 8 . ? 18.688 0.334 19.569 1.00 39.43 ? 109 HOH A O 1 HETATM 2786 O O . HOH M 8 . ? 22.825 -7.026 19.537 1.00 20.61 ? 110 HOH A O 1 HETATM 2787 O O . HOH M 8 . ? 20.928 -9.356 4.545 1.00 46.41 ? 111 HOH A O 1 HETATM 2788 O O . HOH M 8 . ? 22.262 -0.365 0.233 1.00 76.37 ? 112 HOH A O 1 HETATM 2789 O O . HOH M 8 . ? 6.636 16.285 27.052 1.00 57.22 ? 113 HOH A O 1 HETATM 2790 O O . HOH M 8 . ? 19.037 0.139 9.460 1.00 33.58 ? 114 HOH A O 1 HETATM 2791 O O . HOH M 8 . ? -7.712 -9.305 20.252 1.00 70.05 ? 115 HOH A O 1 HETATM 2792 O O . HOH M 8 . ? 19.587 -1.385 17.287 1.00 64.58 ? 116 HOH A O 1 HETATM 2793 O O . HOH M 8 . ? 30.402 -7.777 10.047 1.00 61.33 ? 117 HOH A O 1 HETATM 2794 O O . HOH M 8 . ? 1.091 -16.659 25.277 1.00 56.04 ? 118 HOH A O 1 HETATM 2795 O O . HOH M 8 . ? 42.086 2.348 29.574 1.00 66.77 ? 119 HOH A O 1 HETATM 2796 O O . HOH M 8 . ? 23.061 -1.311 18.185 1.00 32.03 ? 120 HOH A O 1 HETATM 2797 O O . HOH M 8 . ? 11.762 11.694 3.391 1.00 74.63 ? 121 HOH A O 1 HETATM 2798 O O . HOH M 8 . ? 16.751 12.975 30.416 1.00 39.06 ? 122 HOH A O 1 HETATM 2799 O O . HOH M 8 . ? 11.759 10.753 6.326 1.00 54.25 ? 123 HOH A O 1 HETATM 2800 O O . HOH M 8 . ? -0.204 5.657 35.850 1.00 74.74 ? 124 HOH A O 1 HETATM 2801 O O . HOH M 8 . ? 16.833 3.104 12.150 1.00 23.42 ? 125 HOH A O 1 HETATM 2802 O O . HOH M 8 . ? 13.217 5.461 16.665 1.00 27.92 ? 126 HOH A O 1 HETATM 2803 O O . HOH M 8 . ? 38.208 -3.583 10.168 1.00 70.48 ? 127 HOH A O 1 HETATM 2804 O O . HOH M 8 . ? 13.442 -20.189 11.633 1.00 47.30 ? 129 HOH A O 1 HETATM 2805 O O . HOH M 8 . ? 6.674 -0.110 24.735 1.00 48.04 ? 130 HOH A O 1 HETATM 2806 O O . HOH M 8 . ? 17.358 -1.821 7.732 1.00 31.70 ? 131 HOH A O 1 HETATM 2807 O O . HOH M 8 . ? 27.829 -6.407 31.804 1.00 49.23 ? 132 HOH A O 1 HETATM 2808 O O . HOH M 8 . ? 23.677 -17.957 25.636 1.00 56.62 ? 133 HOH A O 1 HETATM 2809 O O . HOH M 8 . ? 5.376 -14.771 4.541 1.00 31.20 ? 134 HOH A O 1 HETATM 2810 O O . HOH M 8 . ? 30.833 9.462 8.600 1.00 36.19 ? 135 HOH A O 1 HETATM 2811 O O . HOH M 8 . ? 22.634 1.394 -3.193 1.00 72.25 ? 136 HOH A O 1 HETATM 2812 O O . HOH M 8 . ? 23.039 -12.889 25.533 1.00 44.70 ? 137 HOH A O 1 HETATM 2813 O O . HOH M 8 . ? 22.284 -0.707 15.501 1.00 32.28 ? 138 HOH A O 1 HETATM 2814 O O . HOH M 8 . ? 15.036 -16.461 1.904 1.00 60.36 ? 139 HOH A O 1 HETATM 2815 O O . HOH M 8 . ? -0.934 13.213 28.143 1.00 76.81 ? 140 HOH A O 1 HETATM 2816 O O . HOH M 8 . ? 19.847 -3.959 6.727 1.00 47.22 ? 143 HOH A O 1 HETATM 2817 O O . HOH M 8 . ? 30.462 -5.412 32.691 1.00 61.14 ? 144 HOH A O 1 HETATM 2818 O O . HOH M 8 . ? -2.825 -13.886 27.565 1.00 64.31 ? 145 HOH A O 1 HETATM 2819 O O . HOH M 8 . ? 21.254 10.064 35.566 1.00 50.64 ? 146 HOH A O 1 HETATM 2820 O O . HOH M 8 . ? 33.451 -2.707 10.672 1.00 53.33 ? 147 HOH A O 1 HETATM 2821 O O . HOH M 8 . ? 15.402 23.028 22.220 1.00 37.67 ? 148 HOH A O 1 HETATM 2822 O O . HOH M 8 . ? 3.270 0.424 5.511 1.00 23.72 ? 149 HOH A O 1 HETATM 2823 O O . HOH M 8 . ? -1.922 19.523 21.005 1.00 56.59 ? 150 HOH A O 1 HETATM 2824 O O . HOH M 8 . ? 31.507 -6.405 12.536 1.00 57.32 ? 151 HOH A O 1 HETATM 2825 O O . HOH M 8 . ? -3.642 -2.211 4.168 1.00 40.59 ? 152 HOH A O 1 HETATM 2826 O O . HOH M 8 . ? 10.817 -21.268 16.820 1.00 48.67 ? 153 HOH A O 1 HETATM 2827 O O . HOH M 8 . ? 32.308 -4.440 7.267 1.00 64.66 ? 154 HOH A O 1 HETATM 2828 O O . HOH M 8 . ? 31.184 -8.565 14.577 1.00 43.05 ? 155 HOH A O 1 HETATM 2829 O O . HOH M 8 . ? 42.434 12.006 32.751 1.00 59.77 ? 157 HOH A O 1 HETATM 2830 O O . HOH M 8 . ? 48.644 2.329 13.616 1.00 64.77 ? 159 HOH A O 1 HETATM 2831 O O . HOH M 8 . ? 39.976 17.681 20.561 1.00 82.84 ? 160 HOH A O 1 HETATM 2832 O O . HOH M 8 . ? 32.576 -1.370 0.750 1.00 75.98 ? 162 HOH A O 1 HETATM 2833 O O . HOH M 8 . ? 5.861 5.373 31.305 1.00 74.43 ? 163 HOH A O 1 HETATM 2834 O O . HOH M 8 . ? 21.284 -7.503 13.430 1.00 56.66 ? 164 HOH A O 1 HETATM 2835 O O . HOH M 8 . ? 39.000 15.503 19.210 1.00 62.14 ? 165 HOH A O 1 HETATM 2836 O O . HOH M 8 . ? 12.584 -3.378 27.435 1.00 50.44 ? 166 HOH A O 1 HETATM 2837 O O . HOH M 8 . ? -7.713 -7.254 12.040 1.00 48.50 ? 168 HOH A O 1 HETATM 2838 O O . HOH M 8 . ? -8.005 4.252 9.400 1.00 71.35 ? 169 HOH A O 1 HETATM 2839 O O . HOH M 8 . ? -8.101 -3.545 28.330 1.00 69.37 ? 170 HOH A O 1 HETATM 2840 O O . HOH M 8 . ? 23.392 26.068 3.490 1.00 70.10 ? 172 HOH A O 1 HETATM 2841 O O . HOH M 8 . ? 13.720 -5.837 26.461 1.00 62.63 ? 173 HOH A O 1 HETATM 2842 O O . HOH M 8 . ? 40.762 -3.037 24.421 1.00 79.52 ? 174 HOH A O 1 HETATM 2843 O O . HOH M 8 . ? 3.518 -19.295 6.225 1.00 70.62 ? 175 HOH A O 1 HETATM 2844 O O . HOH M 8 . ? 12.693 -20.657 7.940 1.00 63.26 ? 176 HOH A O 1 HETATM 2845 O O . HOH M 8 . ? 1.516 9.631 8.171 1.00 34.40 ? 177 HOH A O 1 HETATM 2846 O O . HOH M 8 . ? 40.300 16.083 10.579 1.00 79.61 ? 178 HOH A O 1 HETATM 2847 O O . HOH M 8 . ? 3.527 -15.640 29.223 1.00 75.45 ? 180 HOH A O 1 HETATM 2848 O O . HOH M 8 . ? 10.076 -21.547 25.887 1.00 48.70 ? 181 HOH A O 1 HETATM 2849 O O . HOH M 8 . ? 14.830 8.914 -3.366 1.00 59.55 ? 182 HOH A O 1 HETATM 2850 O O . HOH M 8 . ? 41.892 2.268 -0.781 1.00 72.88 ? 183 HOH A O 1 HETATM 2851 O O . HOH M 8 . ? 44.912 -3.315 26.868 1.00 66.00 ? 184 HOH A O 1 HETATM 2852 O O . HOH M 8 . ? -2.053 6.624 -2.811 1.00 78.89 ? 185 HOH A O 1 HETATM 2853 O O . HOH M 8 . ? 12.778 -1.550 30.306 1.00 55.07 ? 187 HOH A O 1 HETATM 2854 O O . HOH M 8 . ? -5.506 7.337 8.677 1.00 75.85 ? 189 HOH A O 1 HETATM 2855 O O . HOH M 8 . ? 40.512 18.232 17.543 1.00 66.08 ? 190 HOH A O 1 HETATM 2856 O O . HOH M 8 . ? 9.377 -22.055 22.953 1.00 65.46 ? 192 HOH A O 1 HETATM 2857 O O . HOH M 8 . ? 12.304 -22.081 24.195 1.00 55.99 ? 193 HOH A O 1 HETATM 2858 O O . HOH M 8 . ? -11.066 -0.035 9.581 1.00 66.27 ? 196 HOH A O 1 HETATM 2859 O O . HOH M 8 . ? 18.801 17.310 28.116 1.00 47.80 ? 197 HOH A O 1 HETATM 2860 O O . HOH M 8 . ? 42.959 16.452 9.025 1.00 70.12 ? 198 HOH A O 1 HETATM 2861 O O . HOH M 8 . ? 5.214 13.807 28.627 1.00 63.39 ? 200 HOH A O 1 HETATM 2862 O O . HOH M 8 . ? 12.544 -17.601 0.930 1.00 60.52 ? 201 HOH A O 1 HETATM 2863 O O . HOH M 8 . ? 11.500 -16.111 -1.199 1.00 64.05 ? 202 HOH A O 1 HETATM 2864 O O . HOH M 8 . ? 0.947 6.798 14.024 1.00 62.92 ? 203 HOH A O 1 HETATM 2865 O O . HOH M 8 . ? -6.645 -4.225 12.578 1.00 51.18 ? 204 HOH A O 1 HETATM 2866 O O . HOH M 8 . ? 22.131 -14.423 12.085 1.00 59.72 ? 205 HOH A O 1 HETATM 2867 O O . HOH M 8 . ? 17.904 6.748 9.864 1.00 55.30 ? 213 HOH A O 1 HETATM 2868 O O . HOH M 8 . ? 5.482 9.176 15.397 1.00 86.76 ? 214 HOH A O 1 HETATM 2869 O O . HOH M 8 . ? 24.809 -10.701 30.550 1.00 49.35 ? 215 HOH A O 1 HETATM 2870 O O . HOH M 8 . ? 40.690 19.576 22.548 1.00 69.65 ? 216 HOH A O 1 HETATM 2871 O O . HOH M 8 . ? 24.482 -15.341 24.956 1.00 71.16 ? 217 HOH A O 1 HETATM 2872 O O . HOH M 8 . ? 5.285 20.741 22.643 1.00 56.44 ? 218 HOH A O 1 HETATM 2873 O O . HOH M 8 . ? 4.554 10.275 11.998 1.00 48.96 ? 219 HOH A O 1 HETATM 2874 O O . HOH M 8 . ? 32.520 1.977 0.788 1.00 76.64 ? 220 HOH A O 1 HETATM 2875 O O . HOH M 8 . ? 26.525 -8.554 2.410 1.00 60.91 ? 221 HOH A O 1 HETATM 2876 O O . HOH M 8 . ? 7.352 12.867 17.297 1.00 43.47 ? 222 HOH A O 1 HETATM 2877 O O . HOH M 8 . ? 9.262 -22.848 19.863 1.00 71.80 ? 223 HOH A O 1 HETATM 2878 O O . HOH M 8 . ? 9.858 -0.079 1.773 1.00 61.76 ? 224 HOH A O 1 HETATM 2879 O O . HOH M 8 . ? 15.770 -6.686 28.989 1.00 61.95 ? 225 HOH A O 1 HETATM 2880 O O . HOH M 8 . ? -4.430 -8.715 -2.835 1.00 49.07 ? 226 HOH A O 1 HETATM 2881 O O . HOH M 8 . ? -13.038 -3.498 23.660 1.00 74.12 ? 227 HOH A O 1 HETATM 2882 O O . HOH M 8 . ? 31.438 -5.447 29.964 1.00 55.47 ? 228 HOH A O 1 HETATM 2883 O O . HOH M 8 . ? 41.808 15.617 19.409 1.00 74.54 ? 229 HOH A O 1 HETATM 2884 O O . HOH M 8 . ? 10.090 -0.928 29.097 1.00 54.12 ? 230 HOH A O 1 HETATM 2885 O O . HOH M 8 . ? 8.736 -25.882 19.767 1.00 70.20 ? 231 HOH A O 1 HETATM 2886 O O . HOH M 8 . ? 34.768 -7.825 10.496 1.00 57.69 ? 232 HOH A O 1 HETATM 2887 O O . HOH M 8 . ? 6.487 -24.470 18.409 1.00 77.84 ? 233 HOH A O 1 HETATM 2888 O O . HOH M 8 . ? 5.842 -23.005 15.710 1.00 55.02 ? 234 HOH A O 1 HETATM 2889 O O . HOH M 8 . ? 7.009 11.131 29.367 1.00 73.01 ? 235 HOH A O 1 HETATM 2890 O O . HOH M 8 . ? 21.122 0.294 7.501 1.00 50.27 ? 236 HOH A O 1 HETATM 2891 O O . HOH M 8 . ? -4.613 -5.508 -3.651 1.00 60.59 ? 237 HOH A O 1 HETATM 2892 O O . HOH M 8 . ? 9.660 -14.046 -1.845 1.00 68.93 ? 238 HOH A O 1 HETATM 2893 O O . HOH M 8 . ? -1.229 -17.107 9.373 1.00 54.61 ? 239 HOH A O 1 HETATM 2894 O O . HOH M 8 . ? 16.707 -15.439 -1.393 1.00 50.35 ? 240 HOH A O 1 HETATM 2895 O O . HOH M 8 . ? 17.906 11.789 8.574 1.00 50.58 ? 241 HOH A O 1 HETATM 2896 O O . HOH M 8 . ? -8.260 2.474 11.797 1.00 72.28 ? 242 HOH A O 1 HETATM 2897 O O . HOH M 8 . ? 20.720 16.970 23.611 1.00 41.12 ? 243 HOH A O 1 HETATM 2898 O O . HOH M 8 . ? 40.035 -8.326 22.208 1.00 60.80 ? 244 HOH A O 1 HETATM 2899 O O . HOH M 8 . ? 31.856 3.975 8.026 1.00 44.71 ? 245 HOH A O 1 HETATM 2900 O O . HOH M 8 . ? -4.552 -2.512 -2.835 1.00 50.54 ? 246 HOH A O 1 HETATM 2901 O O . HOH M 8 . ? -0.063 4.679 21.745 1.00 43.26 ? 247 HOH A O 1 HETATM 2902 O O . HOH M 8 . ? 2.682 -21.012 19.647 1.00 61.24 ? 248 HOH A O 1 HETATM 2903 O O . HOH M 8 . ? 17.240 9.822 26.431 1.00 42.17 ? 249 HOH A O 1 HETATM 2904 O O . HOH M 8 . ? 24.594 18.324 26.552 1.00 76.51 ? 250 HOH A O 1 HETATM 2905 O O . HOH M 8 . ? -3.706 -14.454 2.149 1.00 43.48 ? 251 HOH A O 1 HETATM 2906 O O . HOH M 8 . ? 20.905 19.691 26.733 1.00 73.47 ? 252 HOH A O 1 HETATM 2907 O O . HOH M 8 . ? 3.721 -21.167 22.375 1.00 58.91 ? 253 HOH A O 1 HETATM 2908 O O . HOH M 8 . ? 2.173 -19.900 24.615 1.00 59.32 ? 254 HOH A O 1 HETATM 2909 O O . HOH M 8 . ? 29.396 -10.487 12.971 1.00 59.45 ? 255 HOH A O 1 HETATM 2910 O O . HOH M 8 . ? 43.969 -0.311 29.869 1.00 73.73 ? 256 HOH A O 1 HETATM 2911 O O . HOH M 8 . ? 23.435 21.595 13.580 1.00 70.20 ? 257 HOH A O 1 HETATM 2912 O O . HOH M 8 . ? -0.528 -16.000 -4.314 1.00 36.85 ? 258 HOH A O 1 HETATM 2913 O O . HOH M 8 . ? 22.632 21.739 20.218 1.00 63.71 ? 259 HOH A O 1 HETATM 2914 O O . HOH M 8 . ? -4.585 7.559 5.343 1.00 73.33 ? 260 HOH A O 1 HETATM 2915 O O . HOH M 8 . ? 13.867 13.731 16.586 1.00 47.19 ? 261 HOH A O 1 HETATM 2916 O O . HOH M 8 . ? 32.576 14.038 33.188 1.00 55.93 ? 262 HOH A O 1 HETATM 2917 O O . HOH M 8 . ? 28.295 17.425 29.411 1.00 53.35 ? 263 HOH A O 1 HETATM 2918 O O . HOH M 8 . ? 7.044 14.015 40.786 1.00 60.68 ? 264 HOH A O 1 HETATM 2919 O O . HOH M 8 . ? 9.101 10.888 41.139 1.00 64.45 ? 265 HOH A O 1 HETATM 2920 O O . HOH M 8 . ? 31.946 -12.174 12.443 1.00 72.38 ? 266 HOH A O 1 HETATM 2921 O O . HOH M 8 . ? 15.489 12.900 -5.456 1.00 65.79 ? 267 HOH A O 1 HETATM 2922 O O . HOH M 8 . ? -2.295 17.448 23.087 1.00 71.41 ? 268 HOH A O 1 HETATM 2923 O O . HOH M 8 . ? -4.550 17.627 20.527 1.00 72.29 ? 269 HOH A O 1 HETATM 2924 O O . HOH M 8 . ? 36.224 -0.319 29.978 1.00 76.27 ? 270 HOH A O 1 HETATM 2925 O O . HOH M 8 . ? 39.256 10.604 20.049 1.00 56.42 ? 271 HOH A O 1 HETATM 2926 O O . HOH M 8 . ? 2.608 -20.711 27.542 1.00 67.11 ? 272 HOH A O 1 HETATM 2927 O O . HOH M 8 . ? -8.181 -16.394 18.164 1.00 45.14 ? 273 HOH A O 1 HETATM 2928 O O . HOH M 8 . ? 24.588 -3.075 -0.038 1.00 68.18 ? 274 HOH A O 1 HETATM 2929 O O . HOH M 8 . ? 11.067 10.850 38.565 1.00 77.50 ? 275 HOH A O 1 HETATM 2930 O O . HOH M 8 . ? 9.817 18.202 19.234 1.00 56.29 ? 276 HOH A O 1 HETATM 2931 O O . HOH M 8 . ? 12.762 8.318 4.244 1.00 61.28 ? 277 HOH A O 1 HETATM 2932 O O . HOH M 8 . ? -6.662 -14.861 20.924 1.00 69.52 ? 278 HOH A O 1 HETATM 2933 O O . HOH M 8 . ? 28.627 6.206 -1.727 1.00 68.98 ? 279 HOH A O 1 HETATM 2934 O O . HOH M 8 . ? 2.673 -16.511 5.184 1.00 49.40 ? 280 HOH A O 1 HETATM 2935 O O . HOH M 8 . ? 7.760 18.243 29.479 1.00 66.98 ? 281 HOH A O 1 HETATM 2936 O O . HOH M 8 . ? 49.097 2.108 10.677 1.00 63.38 ? 282 HOH A O 1 HETATM 2937 O O . HOH M 8 . ? 32.522 10.649 5.675 1.00 64.70 ? 283 HOH A O 1 HETATM 2938 O O . HOH M 8 . ? 15.026 12.288 14.114 1.00 59.47 ? 284 HOH A O 1 HETATM 2939 O O . HOH M 8 . ? 6.883 -2.871 27.298 1.00 67.19 ? 285 HOH A O 1 HETATM 2940 O O . HOH M 8 . ? 0.320 -5.949 34.277 1.00 70.02 ? 286 HOH A O 1 HETATM 2941 O O . HOH M 8 . ? 30.863 16.104 30.171 1.00 46.55 ? 288 HOH A O 1 HETATM 2942 O O . HOH M 8 . ? 8.437 19.330 26.745 1.00 77.09 ? 290 HOH A O 1 HETATM 2943 O O . HOH M 8 . ? 8.656 19.870 16.928 1.00 64.70 ? 291 HOH A O 1 HETATM 2944 O O . HOH M 8 . ? 8.696 16.987 16.121 1.00 49.68 ? 292 HOH A O 1 HETATM 2945 O O . HOH M 8 . ? 26.526 10.331 0.994 1.00 80.47 ? 293 HOH A O 1 HETATM 2946 O O . HOH M 8 . ? -11.938 -0.570 5.465 1.00 75.75 ? 294 HOH A O 1 HETATM 2947 O O . HOH M 8 . ? 40.191 10.594 22.395 1.00 78.84 ? 295 HOH A O 1 HETATM 2948 O O . HOH M 8 . ? 32.944 14.819 12.733 1.00 55.68 ? 296 HOH A O 1 HETATM 2949 O O . HOH M 8 . ? 2.476 5.223 31.242 1.00 62.42 ? 297 HOH A O 1 HETATM 2950 O O . HOH M 8 . ? 20.786 1.515 17.650 1.00 45.81 ? 298 HOH A O 1 HETATM 2951 O O . HOH M 8 . ? -6.746 -11.661 4.874 1.00 58.87 ? 299 HOH A O 1 HETATM 2952 O O . HOH M 8 . ? -5.401 -5.271 21.559 1.00 49.96 ? 300 HOH A O 1 HETATM 2953 O O . HOH M 8 . ? 40.380 14.519 7.120 1.00 60.16 ? 301 HOH A O 1 HETATM 2954 O O . HOH M 8 . ? -2.113 2.681 22.413 1.00 52.29 ? 302 HOH A O 1 HETATM 2955 O O . HOH M 8 . ? 18.752 -7.496 33.483 1.00 63.51 ? 303 HOH A O 1 HETATM 2956 O O . HOH M 8 . ? 4.792 -2.236 -9.146 1.00 46.63 ? 304 HOH A O 1 HETATM 2957 O O . HOH M 8 . ? 24.537 17.563 19.559 1.00 47.63 ? 305 HOH A O 1 HETATM 2958 O O . HOH M 8 . ? 14.701 -5.039 31.225 1.00 70.40 ? 306 HOH A O 1 HETATM 2959 O O . HOH M 8 . ? 3.313 3.943 20.611 1.00 46.58 ? 307 HOH A O 1 HETATM 2960 O O . HOH M 8 . ? 1.449 -20.604 7.874 1.00 64.90 ? 308 HOH A O 1 HETATM 2961 O O . HOH M 8 . ? 38.807 1.296 29.752 1.00 70.17 ? 309 HOH A O 1 HETATM 2962 O O . HOH M 8 . ? 19.531 -9.038 -2.053 1.00 57.25 ? 310 HOH A O 1 HETATM 2963 O O . HOH M 8 . ? 4.954 -22.828 12.745 1.00 60.77 ? 311 HOH A O 1 HETATM 2964 O O . HOH M 8 . ? 27.200 -19.040 18.086 1.00 67.40 ? 312 HOH A O 1 HETATM 2965 O O . HOH M 8 . ? 37.757 16.313 6.247 1.00 71.27 ? 313 HOH A O 1 HETATM 2966 O O . HOH M 8 . ? 11.707 16.680 16.909 1.00 57.34 ? 314 HOH A O 1 HETATM 2967 O O . HOH M 8 . ? 11.771 17.079 13.676 1.00 55.30 ? 315 HOH A O 1 HETATM 2968 O O . HOH M 8 . ? -7.312 -6.696 -1.299 1.00 71.13 ? 316 HOH A O 1 HETATM 2969 O O . HOH M 8 . ? -9.371 -4.558 0.124 1.00 66.23 ? 317 HOH A O 1 HETATM 2970 O O . HOH M 8 . ? 35.867 14.398 7.596 1.00 68.01 ? 318 HOH A O 1 HETATM 2971 O O . HOH M 8 . ? 33.539 14.505 9.635 1.00 66.12 ? 319 HOH A O 1 HETATM 2972 O O . HOH M 8 . ? 22.996 -24.323 12.277 1.00 54.46 ? 320 HOH A O 1 HETATM 2973 O O . HOH M 8 . ? 19.523 -13.539 10.899 1.00 31.09 ? 687 HOH A O 1 HETATM 2974 O O . HOH M 8 . ? 4.606 -2.152 25.358 1.00 40.86 ? 688 HOH A O 1 HETATM 2975 O O . HOH M 8 . ? 37.597 13.727 35.807 1.00 45.90 ? 689 HOH A O 1 HETATM 2976 O O . HOH M 8 . ? 42.711 5.072 0.339 1.00 54.76 ? 690 HOH A O 1 HETATM 2977 O O . HOH M 8 . ? 3.481 -12.276 3.729 1.00 28.26 ? 691 HOH A O 1 HETATM 2978 O O . HOH M 8 . ? 38.916 -8.562 14.108 1.00 63.17 ? 692 HOH A O 1 HETATM 2979 O O . HOH M 8 . ? 1.548 -13.036 19.191 1.00 30.06 ? 693 HOH A O 1 HETATM 2980 O O . HOH M 8 . ? 5.218 -12.670 -2.867 1.00 34.02 ? 694 HOH A O 1 HETATM 2981 O O . HOH M 8 . ? 7.031 -19.745 22.871 1.00 38.45 ? 695 HOH A O 1 HETATM 2982 O O . HOH M 8 . ? 13.589 -1.466 -7.625 1.00 58.45 ? 696 HOH A O 1 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 TYR 1 342 342 TYR TYR A . n A 1 2 THR 2 343 343 THR THR A . n A 1 3 ARG 3 344 344 ARG ARG A . n A 1 4 VAL 4 345 345 VAL VAL A . n A 1 5 VAL 5 346 346 VAL VAL A . n A 1 6 TRP 6 347 347 TRP TRP A . n A 1 7 CYS 7 348 348 CYS CYS A . n A 1 8 ALA 8 349 349 ALA ALA A . n A 1 9 VAL 9 350 350 VAL VAL A . n A 1 10 GLY 10 351 351 GLY GLY A . n A 1 11 PRO 11 352 352 PRO PRO A . n A 1 12 GLU 12 353 353 GLU GLU A . n A 1 13 GLU 13 354 354 GLU GLU A . n A 1 14 GLN 14 355 355 GLN GLN A . n A 1 15 LYS 15 356 356 LYS LYS A . n A 1 16 LYS 16 357 357 LYS LYS A . n A 1 17 CYS 17 358 358 CYS CYS A . n A 1 18 GLN 18 359 359 GLN GLN A . n A 1 19 GLN 19 360 360 GLN GLN A . n A 1 20 TRP 20 361 361 TRP TRP A . n A 1 21 SER 21 362 362 SER SER A . n A 1 22 GLN 22 363 363 GLN GLN A . n A 1 23 GLN 23 364 364 GLN GLN A . n A 1 24 SER 24 365 365 SER SER A . n A 1 25 GLY 25 366 366 GLY GLY A . n A 1 26 GLN 26 367 367 GLN GLN A . n A 1 27 ASN 27 368 368 ASN ASN A . n A 1 28 VAL 28 369 369 VAL VAL A . n A 1 29 THR 29 370 370 THR THR A . n A 1 30 CYS 30 371 371 CYS CYS A . n A 1 31 ALA 31 372 372 ALA ALA A . n A 1 32 THR 32 373 373 THR THR A . n A 1 33 ALA 33 374 374 ALA ALA A . n A 1 34 SER 34 375 375 SER SER A . n A 1 35 THR 35 376 376 THR THR A . n A 1 36 THR 36 377 377 THR THR A . n A 1 37 ASP 37 378 378 ASP ASP A . n A 1 38 ASP 38 379 379 ASP ASP A . n A 1 39 CYS 39 380 380 CYS CYS A . n A 1 40 ILE 40 381 381 ILE ILE A . n A 1 41 VAL 41 382 382 VAL VAL A . n A 1 42 LEU 42 383 383 LEU LEU A . n A 1 43 VAL 43 384 384 VAL VAL A . n A 1 44 LEU 44 385 385 LEU LEU A . n A 1 45 LYS 45 386 386 LYS LYS A . n A 1 46 GLY 46 387 387 GLY GLY A . n A 1 47 GLU 47 388 388 GLU GLU A . n A 1 48 ALA 48 389 389 ALA ALA A . n A 1 49 ASP 49 390 390 ASP ASP A . n A 1 50 ALA 50 391 391 ALA ALA A . n A 1 51 LEU 51 392 392 LEU LEU A . n A 1 52 ASN 52 393 393 ASN ASN A . n A 1 53 LEU 53 394 394 LEU LEU A . n A 1 54 ASP 54 395 395 ASP ASP A . n A 1 55 GLY 55 396 396 GLY GLY A . n A 1 56 GLY 56 397 397 GLY GLY A . n A 1 57 TYR 57 398 398 TYR TYR A . n A 1 58 ILE 58 399 399 ILE ILE A . n A 1 59 TYR 59 400 400 TYR TYR A . n A 1 60 THR 60 401 401 THR THR A . n A 1 61 ALA 61 402 402 ALA ALA A . n A 1 62 GLY 62 403 403 GLY GLY A . n A 1 63 LYS 63 404 404 LYS LYS A . n A 1 64 CYS 64 405 405 CYS CYS A . n A 1 65 GLY 65 406 406 GLY GLY A . n A 1 66 LEU 66 407 407 LEU LEU A . n A 1 67 VAL 67 408 408 VAL VAL A . n A 1 68 PRO 68 409 409 PRO PRO A . n A 1 69 VAL 69 410 410 VAL VAL A . n A 1 70 LEU 70 411 411 LEU LEU A . n A 1 71 ALA 71 412 412 ALA ALA A . n A 1 72 GLU 72 413 413 GLU GLU A . n A 1 73 ASN 73 414 414 ASN ASN A . n A 1 74 ARG 74 415 415 ARG ARG A . n A 1 75 LYS 75 416 416 LYS LYS A . n A 1 76 SER 76 417 417 SER SER A . n A 1 77 SER 77 418 418 SER SER A . n A 1 78 LYS 78 419 419 LYS LYS A . n A 1 79 HIS 79 420 420 HIS HIS A . n A 1 80 SER 80 421 421 SER SER A . n A 1 81 SER 81 422 422 SER SER A . n A 1 82 LEU 82 423 423 LEU LEU A . n A 1 83 ASP 83 424 424 ASP ASP A . n A 1 84 CYS 84 425 425 CYS CYS A . n A 1 85 VAL 85 426 426 VAL VAL A . n A 1 86 LEU 86 427 427 LEU LEU A . n A 1 87 ARG 87 428 428 ARG ARG A . n A 1 88 PRO 88 429 429 PRO PRO A . n A 1 89 THR 89 430 430 THR THR A . n A 1 90 GLU 90 431 431 GLU GLU A . n A 1 91 GLY 91 432 432 GLY GLY A . n A 1 92 TYR 92 433 433 TYR TYR A . n A 1 93 LEU 93 434 434 LEU LEU A . n A 1 94 ALA 94 435 435 ALA ALA A . n A 1 95 VAL 95 436 436 VAL VAL A . n A 1 96 ALA 96 437 437 ALA ALA A . n A 1 97 VAL 97 438 438 VAL VAL A . n A 1 98 VAL 98 439 439 VAL VAL A . n A 1 99 LYS 99 440 440 LYS LYS A . n A 1 100 LYS 100 441 441 LYS LYS A . n A 1 101 ALA 101 442 442 ALA ALA A . n A 1 102 ASN 102 443 443 ASN ASN A . n A 1 103 GLU 103 444 444 GLU GLU A . n A 1 104 GLY 104 445 445 GLY GLY A . n A 1 105 LEU 105 446 446 LEU LEU A . n A 1 106 THR 106 447 447 THR THR A . n A 1 107 TRP 107 448 448 TRP TRP A . n A 1 108 ASN 108 449 449 ASN ASN A . n A 1 109 SER 109 450 450 SER SER A . n A 1 110 LEU 110 451 451 LEU LEU A . n A 1 111 LYS 111 452 452 LYS LYS A . n A 1 112 ASP 112 453 453 ASP ASP A . n A 1 113 LYS 113 454 454 LYS LYS A . n A 1 114 LYS 114 455 455 LYS LYS A . n A 1 115 SER 115 456 456 SER SER A . n A 1 116 CYS 116 457 457 CYS CYS A . n A 1 117 HIS 117 458 458 HIS HIS A . n A 1 118 THR 118 459 459 THR THR A . n A 1 119 ALA 119 460 460 ALA ALA A . n A 1 120 VAL 120 461 461 VAL VAL A . n A 1 121 ASP 121 462 462 ASP ASP A . n A 1 122 ARG 122 463 463 ARG ARG A . n A 1 123 THR 123 464 464 THR THR A . n A 1 124 ALA 124 465 465 ALA ALA A . n A 1 125 GLY 125 466 466 GLY GLY A . n A 1 126 TRP 126 467 467 TRP TRP A . n A 1 127 ASN 127 468 468 ASN ASN A . n A 1 128 ILE 128 469 469 ILE ILE A . n A 1 129 PRO 129 470 470 PRO PRO A . n A 1 130 MET 130 471 471 MET MET A . n A 1 131 GLY 131 472 472 GLY GLY A . n A 1 132 LEU 132 473 473 LEU LEU A . n A 1 133 ILE 133 474 474 ILE ILE A . n A 1 134 VAL 134 475 475 VAL VAL A . n A 1 135 ASN 135 476 476 ASN ASN A . n A 1 136 GLN 136 477 477 GLN GLN A . n A 1 137 THR 137 478 478 THR THR A . n A 1 138 GLY 138 479 479 GLY GLY A . n A 1 139 SER 139 480 480 SER SER A . n A 1 140 CYS 140 481 481 CYS CYS A . n A 1 141 ALA 141 482 482 ALA ALA A . n A 1 142 PHE 142 483 483 PHE PHE A . n A 1 143 ASP 143 484 484 ASP ASP A . n A 1 144 GLU 144 485 485 GLU GLU A . n A 1 145 PHE 145 486 486 PHE PHE A . n A 1 146 PHE 146 487 487 PHE PHE A . n A 1 147 SER 147 488 488 SER SER A . n A 1 148 GLN 148 489 489 GLN GLN A . n A 1 149 SER 149 490 490 SER SER A . n A 1 150 CYS 150 491 491 CYS CYS A . n A 1 151 ALA 151 492 492 ALA ALA A . n A 1 152 PRO 152 493 493 PRO PRO A . n A 1 153 GLY 153 494 494 GLY GLY A . n A 1 154 ALA 154 495 495 ALA ALA A . n A 1 155 ASP 155 496 496 ASP ASP A . n A 1 156 PRO 156 497 497 PRO PRO A . n A 1 157 LYS 157 498 498 LYS LYS A . n A 1 158 SER 158 499 499 SER SER A . n A 1 159 ARG 159 500 500 ARG ARG A . n A 1 160 LEU 160 501 501 LEU LEU A . n A 1 161 CYS 161 502 502 CYS CYS A . n A 1 162 ALA 162 503 503 ALA ALA A . n A 1 163 LEU 163 504 504 LEU LEU A . n A 1 164 CYS 164 505 505 CYS CYS A . n A 1 165 ALA 165 506 506 ALA ALA A . n A 1 166 GLY 166 507 507 GLY GLY A . n A 1 167 ASP 167 508 508 ASP ASP A . n A 1 168 ASP 168 509 509 ASP ASP A . n A 1 169 GLN 169 510 510 GLN GLN A . n A 1 170 GLY 170 511 511 GLY GLY A . n A 1 171 LEU 171 512 512 LEU LEU A . n A 1 172 ASP 172 513 513 ASP ASP A . n A 1 173 LYS 173 514 514 LYS LYS A . n A 1 174 CYS 174 515 515 CYS CYS A . n A 1 175 VAL 175 516 516 VAL VAL A . n A 1 176 PRO 176 517 517 PRO PRO A . n A 1 177 ASN 177 518 518 ASN ASN A . n A 1 178 SER 178 519 519 SER SER A . n A 1 179 LYS 179 520 520 LYS LYS A . n A 1 180 GLU 180 521 521 GLU GLU A . n A 1 181 LYS 181 522 522 LYS LYS A . n A 1 182 TYR 182 523 523 TYR TYR A . n A 1 183 TYR 183 524 524 TYR TYR A . n A 1 184 GLY 184 525 525 GLY GLY A . n A 1 185 TYR 185 526 526 TYR TYR A . n A 1 186 THR 186 527 527 THR THR A . n A 1 187 GLY 187 528 528 GLY GLY A . n A 1 188 ALA 188 529 529 ALA ALA A . n A 1 189 PHE 189 530 530 PHE PHE A . n A 1 190 ARG 190 531 531 ARG ARG A . n A 1 191 CYS 191 532 532 CYS CYS A . n A 1 192 LEU 192 533 533 LEU LEU A . n A 1 193 ALA 193 534 534 ALA ALA A . n A 1 194 GLU 194 535 535 GLU GLU A . n A 1 195 ASP 195 536 536 ASP ASP A . n A 1 196 VAL 196 537 537 VAL VAL A . n A 1 197 GLY 197 538 538 GLY GLY A . n A 1 198 ASP 198 539 539 ASP ASP A . n A 1 199 VAL 199 540 540 VAL VAL A . n A 1 200 ALA 200 541 541 ALA ALA A . n A 1 201 PHE 201 542 542 PHE PHE A . n A 1 202 VAL 202 543 543 VAL VAL A . n A 1 203 LYS 203 544 544 LYS LYS A . n A 1 204 ASN 204 545 545 ASN ASN A . n A 1 205 ASP 205 546 546 ASP ASP A . n A 1 206 THR 206 547 547 THR THR A . n A 1 207 VAL 207 548 548 VAL VAL A . n A 1 208 TRP 208 549 549 TRP TRP A . n A 1 209 GLU 209 550 550 GLU GLU A . n A 1 210 ASN 210 551 551 ASN ASN A . n A 1 211 THR 211 552 552 THR THR A . n A 1 212 ASN 212 553 553 ASN ASN A . n A 1 213 GLY 213 554 554 GLY GLY A . n A 1 214 GLU 214 555 555 GLU GLU A . n A 1 215 SER 215 556 556 SER SER A . n A 1 216 THR 216 557 557 THR THR A . n A 1 217 ALA 217 558 558 ALA ALA A . n A 1 218 ASP 218 559 559 ASP ASP A . n A 1 219 TRP 219 560 560 TRP TRP A . n A 1 220 ALA 220 561 561 ALA ALA A . n A 1 221 LYS 221 562 562 LYS LYS A . n A 1 222 ASN 222 563 563 ASN ASN A . n A 1 223 LEU 223 564 564 LEU LEU A . n A 1 224 LYS 224 565 565 LYS LYS A . n A 1 225 ARG 225 566 566 ARG ARG A . n A 1 226 GLU 226 567 567 GLU GLU A . n A 1 227 ASP 227 568 568 ASP ASP A . n A 1 228 PHE 228 569 569 PHE PHE A . n A 1 229 ARG 229 570 570 ARG ARG A . n A 1 230 LEU 230 571 571 LEU LEU A . n A 1 231 LEU 231 572 572 LEU LEU A . n A 1 232 CYS 232 573 573 CYS CYS A . n A 1 233 LEU 233 574 574 LEU LEU A . n A 1 234 ASP 234 575 575 ASP ASP A . n A 1 235 GLY 235 576 576 GLY GLY A . n A 1 236 THR 236 577 577 THR THR A . n A 1 237 ARG 237 578 578 ARG ARG A . n A 1 238 LYS 238 579 579 LYS LYS A . n A 1 239 PRO 239 580 580 PRO PRO A . n A 1 240 VAL 240 581 581 VAL VAL A . n A 1 241 THR 241 582 582 THR THR A . n A 1 242 GLU 242 583 583 GLU GLU A . n A 1 243 ALA 243 584 584 ALA ALA A . n A 1 244 GLN 244 585 585 GLN GLN A . n A 1 245 SER 245 586 586 SER SER A . n A 1 246 CYS 246 587 587 CYS CYS A . n A 1 247 HIS 247 588 588 HIS HIS A . n A 1 248 LEU 248 589 589 LEU LEU A . n A 1 249 ALA 249 590 590 ALA ALA A . n A 1 250 VAL 250 591 591 VAL VAL A . n A 1 251 ALA 251 592 592 ALA ALA A . n A 1 252 PRO 252 593 593 PRO PRO A . n A 1 253 ASN 253 594 594 ASN ASN A . n A 1 254 HIS 254 595 595 HIS HIS A . n A 1 255 ALA 255 596 596 ALA ALA A . n A 1 256 VAL 256 597 597 VAL VAL A . n A 1 257 VAL 257 598 598 VAL VAL A . n A 1 258 SER 258 599 599 SER SER A . n A 1 259 ARG 259 600 600 ARG ARG A . n A 1 260 SER 260 601 601 SER SER A . n A 1 261 ASP 261 602 602 ASP ASP A . n A 1 262 ARG 262 603 603 ARG ARG A . n A 1 263 ALA 263 604 604 ALA ALA A . n A 1 264 ALA 264 605 605 ALA ALA A . n A 1 265 HIS 265 606 606 HIS HIS A . n A 1 266 VAL 266 607 607 VAL VAL A . n A 1 267 GLU 267 608 608 GLU GLU A . n A 1 268 GLN 268 609 609 GLN GLN A . n A 1 269 VAL 269 610 610 VAL VAL A . n A 1 270 LEU 270 611 611 LEU LEU A . n A 1 271 LEU 271 612 612 LEU LEU A . n A 1 272 HIS 272 613 613 HIS HIS A . n A 1 273 GLN 273 614 614 GLN GLN A . n A 1 274 GLN 274 615 615 GLN GLN A . n A 1 275 ALA 275 616 616 ALA ALA A . n A 1 276 LEU 276 617 617 LEU LEU A . n A 1 277 PHE 277 618 618 PHE PHE A . n A 1 278 GLY 278 619 619 GLY GLY A . n A 1 279 LYS 279 620 620 LYS LYS A . n A 1 280 ASN 280 621 621 ASN ASN A . n A 1 281 GLY 281 622 622 GLY GLY A . n A 1 282 LYS 282 623 623 LYS LYS A . n A 1 283 ASN 283 624 624 ASN ASN A . n A 1 284 CYS 284 625 625 CYS CYS A . n A 1 285 PRO 285 626 626 PRO PRO A . n A 1 286 ASP 286 627 627 ASP ASP A . n A 1 287 LYS 287 628 628 LYS LYS A . n A 1 288 PHE 288 629 629 PHE PHE A . n A 1 289 CYS 289 630 630 CYS CYS A . n A 1 290 LEU 290 631 631 LEU LEU A . n A 1 291 PHE 291 632 632 PHE PHE A . n A 1 292 LYS 292 633 633 LYS LYS A . n A 1 293 SER 293 634 634 SER SER A . n A 1 294 GLU 294 635 635 GLU GLU A . n A 1 295 THR 295 636 636 THR THR A . n A 1 296 LYS 296 637 637 LYS LYS A . n A 1 297 ASN 297 638 638 ASN ASN A . n A 1 298 LEU 298 639 639 LEU LEU A . n A 1 299 LEU 299 640 640 LEU LEU A . n A 1 300 PHE 300 641 641 PHE PHE A . n A 1 301 ASN 301 642 642 ASN ASN A . n A 1 302 ASP 302 643 643 ASP ASP A . n A 1 303 ASN 303 644 644 ASN ASN A . n A 1 304 THR 304 645 645 THR THR A . n A 1 305 GLU 305 646 646 GLU GLU A . n A 1 306 CYS 306 647 647 CYS CYS A . n A 1 307 LEU 307 648 648 LEU LEU A . n A 1 308 ALA 308 649 649 ALA ALA A . n A 1 309 LYS 309 650 650 LYS LYS A . n A 1 310 LEU 310 651 651 LEU LEU A . n A 1 311 GLY 311 652 652 GLY GLY A . n A 1 312 GLY 312 653 653 GLY GLY A . n A 1 313 ARG 313 654 654 ARG ARG A . n A 1 314 PRO 314 655 655 PRO PRO A . n A 1 315 THR 315 656 656 THR THR A . n A 1 316 TYR 316 657 657 TYR TYR A . n A 1 317 GLU 317 658 658 GLU GLU A . n A 1 318 GLU 318 659 659 GLU GLU A . n A 1 319 TYR 319 660 660 TYR TYR A . n A 1 320 LEU 320 661 661 LEU LEU A . n A 1 321 GLY 321 662 662 GLY GLY A . n A 1 322 THR 322 663 663 THR THR A . n A 1 323 GLU 323 664 664 GLU GLU A . n A 1 324 TYR 324 665 665 TYR TYR A . n A 1 325 VAL 325 666 666 VAL VAL A . n A 1 326 THR 326 667 667 THR THR A . n A 1 327 ALA 327 668 668 ALA ALA A . n A 1 328 ILE 328 669 669 ILE ILE A . n A 1 329 ALA 329 670 670 ALA ALA A . n A 1 330 ASN 330 671 671 ASN ASN A . n A 1 331 LEU 331 672 672 LEU LEU A . n A 1 332 LYS 332 673 673 LYS LYS A . n A 1 333 LYS 333 674 674 LYS LYS A . n A 1 334 CYS 334 675 675 CYS CYS A . n A 1 335 SER 335 676 676 SER SER A . n A 1 336 THR 336 677 ? ? ? A . n A 1 337 SER 337 678 ? ? ? A . n A 1 338 PRO 338 679 ? ? ? A . n A 1 339 LEU 339 680 ? ? ? A . n A 1 340 LEU 340 681 681 LEU LEU A . n A 1 341 GLU 341 682 682 GLU GLU A . n A 1 342 ALA 342 683 683 ALA ALA A . n A 1 343 CYS 343 684 684 CYS CYS A . n A 1 344 ALA 344 685 685 ALA ALA A . n A 1 345 PHE 345 686 686 PHE PHE A . n # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 A ASN 204 A ASN 545 ? ASN 'GLYCOSYLATION SITE' 2 A ASN 27 A ASN 368 ? ASN 'GLYCOSYLATION SITE' 3 A ASN 135 A ASN 476 ? ASN 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_struct_conn_angle.id _pdbx_struct_conn_angle.ptnr1_label_atom_id _pdbx_struct_conn_angle.ptnr1_label_alt_id _pdbx_struct_conn_angle.ptnr1_label_asym_id _pdbx_struct_conn_angle.ptnr1_label_comp_id _pdbx_struct_conn_angle.ptnr1_label_seq_id _pdbx_struct_conn_angle.ptnr1_auth_atom_id _pdbx_struct_conn_angle.ptnr1_auth_asym_id _pdbx_struct_conn_angle.ptnr1_auth_comp_id _pdbx_struct_conn_angle.ptnr1_auth_seq_id _pdbx_struct_conn_angle.ptnr1_PDB_ins_code _pdbx_struct_conn_angle.ptnr1_symmetry _pdbx_struct_conn_angle.ptnr2_label_atom_id _pdbx_struct_conn_angle.ptnr2_label_alt_id _pdbx_struct_conn_angle.ptnr2_label_asym_id _pdbx_struct_conn_angle.ptnr2_label_comp_id _pdbx_struct_conn_angle.ptnr2_label_seq_id _pdbx_struct_conn_angle.ptnr2_auth_atom_id _pdbx_struct_conn_angle.ptnr2_auth_asym_id _pdbx_struct_conn_angle.ptnr2_auth_comp_id _pdbx_struct_conn_angle.ptnr2_auth_seq_id _pdbx_struct_conn_angle.ptnr2_PDB_ins_code _pdbx_struct_conn_angle.ptnr2_symmetry _pdbx_struct_conn_angle.ptnr3_label_atom_id _pdbx_struct_conn_angle.ptnr3_label_alt_id _pdbx_struct_conn_angle.ptnr3_label_asym_id _pdbx_struct_conn_angle.ptnr3_label_comp_id _pdbx_struct_conn_angle.ptnr3_label_seq_id _pdbx_struct_conn_angle.ptnr3_auth_atom_id _pdbx_struct_conn_angle.ptnr3_auth_asym_id _pdbx_struct_conn_angle.ptnr3_auth_comp_id _pdbx_struct_conn_angle.ptnr3_auth_seq_id _pdbx_struct_conn_angle.ptnr3_PDB_ins_code _pdbx_struct_conn_angle.ptnr3_symmetry _pdbx_struct_conn_angle.value _pdbx_struct_conn_angle.value_esd 1 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? J FE . ? A FE 84 ? 1_555 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 172.5 ? 2 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? J FE . ? A FE 84 ? 1_555 OH ? A TYR 92 ? A TYR 433 ? 1_555 93.3 ? 3 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? J FE . ? A FE 84 ? 1_555 OH ? A TYR 92 ? A TYR 433 ? 1_555 92.3 ? 4 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? J FE . ? A FE 84 ? 1_555 O2 ? K CO3 . ? A CO3 85 ? 1_555 93.8 ? 5 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? J FE . ? A FE 84 ? 1_555 O2 ? K CO3 . ? A CO3 85 ? 1_555 91.1 ? 6 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? J FE . ? A FE 84 ? 1_555 O2 ? K CO3 . ? A CO3 85 ? 1_555 90.4 ? 7 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? J FE . ? A FE 84 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 84.8 ? 8 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? J FE . ? A FE 84 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 89.3 ? 9 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? J FE . ? A FE 84 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 100.7 ? 10 O2 ? K CO3 . ? A CO3 85 ? 1_555 FE ? J FE . ? A FE 84 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 168.8 ? 11 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? J FE . ? A FE 84 ? 1_555 O1 ? K CO3 . ? A CO3 85 ? 1_555 87.6 ? 12 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? J FE . ? A FE 84 ? 1_555 O1 ? K CO3 . ? A CO3 85 ? 1_555 89.9 ? 13 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? J FE . ? A FE 84 ? 1_555 O1 ? K CO3 . ? A CO3 85 ? 1_555 151.3 ? 14 O2 ? K CO3 . ? A CO3 85 ? 1_555 FE ? J FE . ? A FE 84 ? 1_555 O1 ? K CO3 . ? A CO3 85 ? 1_555 60.9 ? 15 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 FE ? J FE . ? A FE 84 ? 1_555 O1 ? K CO3 . ? A CO3 85 ? 1_555 107.9 ? 16 O ? M HOH . ? A HOH 177 ? 1_555 ZN ? I ZN . ? A ZN 82 ? 1_555 NE2 ? A HIS 247 ? A HIS 588 ? 1_555 97.2 ? 17 OE2 ? A GLU 318 ? A GLU 659 ? 1_555 ZN ? H ZN . ? A ZN 81 ? 1_555 O ? M HOH . ? A HOH 148 ? 1_555 91.4 ? 18 OE2 ? A GLU 318 ? A GLU 659 ? 1_555 ZN ? H ZN . ? A ZN 81 ? 1_555 OE1 ? A GLU 318 ? A GLU 659 ? 1_555 55.2 ? 19 O ? M HOH . ? A HOH 148 ? 1_555 ZN ? H ZN . ? A ZN 81 ? 1_555 OE1 ? A GLU 318 ? A GLU 659 ? 1_555 95.1 ? # _pdbx_audit_revision_history.ordinal 1 _pdbx_audit_revision_history.data_content_type 'Structure model' _pdbx_audit_revision_history.major_revision 1 _pdbx_audit_revision_history.minor_revision 0 _pdbx_audit_revision_history.revision_date 2011-10-19 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal HKL-2000 'data collection' . ? 1 AMoRE phasing . ? 2 CNS refinement 1.1 ? 3 AUTOMAR 'data reduction' . ? 4 SCALEPACK 'data scaling' . ? 5 # _pdbx_entry_details.nonpolymer_details ? _pdbx_entry_details.sequence_details ;THERE IS A CONFLICT BETWEEN SEQRES(LYS A 565, GLU A 608) AND SEQUENCE DATABASE (ASN, LYS). THE AUTHORS BELIEVE THAT THE SEQRES IS CORRECT AND IS THE TRUE IDENTITY OF THESE RESIDUES AND IS NATURAL MUTANT. ; _pdbx_entry_details.compound_details ? _pdbx_entry_details.source_details ? _pdbx_entry_details.entry_id 3TTR # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 ND2 A ASN 545 ? ? O5 A NAG 8 ? ? 2.16 2 1 ND2 A ASN 368 ? ? O5 A NAG 2 ? ? 2.19 # loop_ _pdbx_validate_rmsd_angle.id _pdbx_validate_rmsd_angle.PDB_model_num _pdbx_validate_rmsd_angle.auth_atom_id_1 _pdbx_validate_rmsd_angle.auth_asym_id_1 _pdbx_validate_rmsd_angle.auth_comp_id_1 _pdbx_validate_rmsd_angle.auth_seq_id_1 _pdbx_validate_rmsd_angle.PDB_ins_code_1 _pdbx_validate_rmsd_angle.label_alt_id_1 _pdbx_validate_rmsd_angle.auth_atom_id_2 _pdbx_validate_rmsd_angle.auth_asym_id_2 _pdbx_validate_rmsd_angle.auth_comp_id_2 _pdbx_validate_rmsd_angle.auth_seq_id_2 _pdbx_validate_rmsd_angle.PDB_ins_code_2 _pdbx_validate_rmsd_angle.label_alt_id_2 _pdbx_validate_rmsd_angle.auth_atom_id_3 _pdbx_validate_rmsd_angle.auth_asym_id_3 _pdbx_validate_rmsd_angle.auth_comp_id_3 _pdbx_validate_rmsd_angle.auth_seq_id_3 _pdbx_validate_rmsd_angle.PDB_ins_code_3 _pdbx_validate_rmsd_angle.label_alt_id_3 _pdbx_validate_rmsd_angle.angle_value _pdbx_validate_rmsd_angle.angle_target_value _pdbx_validate_rmsd_angle.angle_deviation _pdbx_validate_rmsd_angle.angle_standard_deviation _pdbx_validate_rmsd_angle.linker_flag 1 1 CA A VAL 475 ? ? C A VAL 475 ? ? N A ASN 476 ? ? 103.98 117.20 -13.22 2.20 Y 2 1 O A VAL 475 ? ? C A VAL 475 ? ? N A ASN 476 ? ? 133.87 122.70 11.17 1.60 Y 3 1 O A ASN 476 ? ? C A ASN 476 ? ? N A GLN 477 ? ? 112.48 122.70 -10.22 1.60 Y 4 1 CA A CYS 532 ? ? CB A CYS 532 ? ? SG A CYS 532 ? ? 121.22 114.20 7.02 1.10 N # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 ASP A 462 ? ? 74.77 -1.13 2 1 TRP A 467 ? ? -144.91 -65.25 3 1 PRO A 493 ? ? -39.04 128.26 4 1 VAL A 543 ? ? -134.47 -156.34 5 1 SER A 556 ? ? -96.05 -71.77 6 1 THR A 557 ? ? 95.39 -13.32 7 1 SER A 634 ? ? -154.74 39.39 8 1 LEU A 640 ? ? 73.85 -56.74 9 1 ARG A 654 ? ? 37.38 57.29 10 1 ALA A 683 ? ? 136.03 136.86 # _pdbx_validate_peptide_omega.id 1 _pdbx_validate_peptide_omega.PDB_model_num 1 _pdbx_validate_peptide_omega.auth_comp_id_1 TYR _pdbx_validate_peptide_omega.auth_asym_id_1 A _pdbx_validate_peptide_omega.auth_seq_id_1 342 _pdbx_validate_peptide_omega.PDB_ins_code_1 ? _pdbx_validate_peptide_omega.label_alt_id_1 ? _pdbx_validate_peptide_omega.auth_comp_id_2 THR _pdbx_validate_peptide_omega.auth_asym_id_2 A _pdbx_validate_peptide_omega.auth_seq_id_2 343 _pdbx_validate_peptide_omega.PDB_ins_code_2 ? _pdbx_validate_peptide_omega.label_alt_id_2 ? _pdbx_validate_peptide_omega.omega -147.11 # _pdbx_validate_planes.id 1 _pdbx_validate_planes.PDB_model_num 1 _pdbx_validate_planes.auth_comp_id ARG _pdbx_validate_planes.auth_asym_id A _pdbx_validate_planes.auth_seq_id 415 _pdbx_validate_planes.PDB_ins_code ? _pdbx_validate_planes.label_alt_id ? _pdbx_validate_planes.rmsd 0.256 _pdbx_validate_planes.type 'SIDE CHAIN' # 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 'SULFATE ION' SO4 4 'ZINC ION' ZN 5 'FE (III) ION' FE 6 'CARBONATE ION' CO3 7 '2-(diethylamino)-N-(2,6-dimethylphenyl)ethanamide' LQZ 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 2 2 NAG NAG A . C 2 NAG 1 3 3 NAG NAG A . D 2 NAG 2 4 4 NAG NAG A . E 2 NAG 1 8 8 NAG NAG A . F 2 NAG 2 9 9 NAG NAG A . G 3 SO4 1 68 68 SO4 SO4 A . H 4 ZN 1 81 81 ZN ZN A . I 4 ZN 1 82 82 ZN ZN A . J 5 FE 1 84 84 FE FE A . K 6 CO3 1 85 85 CO3 CO3 A . L 7 LQZ 1 90 90 LQZ LDE A . M 8 HOH 1 1 1 HOH HOH A . M 8 HOH 2 5 5 HOH HOH A . M 8 HOH 3 6 6 HOH HOH A . M 8 HOH 4 7 7 HOH HOH A . M 8 HOH 5 10 10 HOH HOH A . M 8 HOH 6 11 11 HOH HOH A . M 8 HOH 7 12 12 HOH HOH A . M 8 HOH 8 13 13 HOH HOH A . M 8 HOH 9 14 14 HOH HOH A . M 8 HOH 10 15 15 HOH HOH A . M 8 HOH 11 16 16 HOH HOH A . M 8 HOH 12 17 17 HOH HOH A . M 8 HOH 13 20 20 HOH HOH A . M 8 HOH 14 21 21 HOH HOH A . M 8 HOH 15 22 22 HOH HOH A . M 8 HOH 16 24 24 HOH HOH A . M 8 HOH 17 25 25 HOH HOH A . M 8 HOH 18 26 26 HOH HOH A . M 8 HOH 19 27 27 HOH HOH A . M 8 HOH 20 28 28 HOH HOH A . M 8 HOH 21 29 29 HOH HOH A . M 8 HOH 22 30 30 HOH HOH A . M 8 HOH 23 31 31 HOH HOH A . M 8 HOH 24 32 32 HOH HOH A . M 8 HOH 25 33 33 HOH HOH A . M 8 HOH 26 34 34 HOH HOH A . M 8 HOH 27 36 36 HOH HOH A . M 8 HOH 28 38 38 HOH HOH A . M 8 HOH 29 39 39 HOH HOH A . M 8 HOH 30 41 41 HOH HOH A . M 8 HOH 31 42 42 HOH HOH A . M 8 HOH 32 43 43 HOH HOH A . M 8 HOH 33 44 44 HOH HOH A . M 8 HOH 34 45 45 HOH HOH A . M 8 HOH 35 46 46 HOH HOH A . M 8 HOH 36 49 49 HOH HOH A . M 8 HOH 37 50 50 HOH HOH A . M 8 HOH 38 51 51 HOH HOH A . M 8 HOH 39 52 52 HOH HOH A . M 8 HOH 40 53 53 HOH HOH A . M 8 HOH 41 54 54 HOH HOH A . M 8 HOH 42 55 55 HOH HOH A . M 8 HOH 43 56 56 HOH HOH A . M 8 HOH 44 57 57 HOH HOH A . M 8 HOH 45 58 58 HOH HOH A . M 8 HOH 46 59 59 HOH HOH A . M 8 HOH 47 60 60 HOH HOH A . M 8 HOH 48 61 61 HOH HOH A . M 8 HOH 49 62 62 HOH HOH A . M 8 HOH 50 63 63 HOH HOH A . M 8 HOH 51 64 64 HOH HOH A . M 8 HOH 52 66 66 HOH HOH A . M 8 HOH 53 67 67 HOH HOH A . M 8 HOH 54 69 69 HOH HOH A . M 8 HOH 55 70 70 HOH HOH A . M 8 HOH 56 71 71 HOH HOH A . M 8 HOH 57 72 72 HOH HOH A . M 8 HOH 58 73 73 HOH HOH A . M 8 HOH 59 74 74 HOH HOH A . M 8 HOH 60 75 75 HOH HOH A . M 8 HOH 61 77 77 HOH HOH A . M 8 HOH 62 78 78 HOH HOH A . M 8 HOH 63 79 79 HOH HOH A . M 8 HOH 64 83 83 HOH HOH A . M 8 HOH 65 86 86 HOH HOH A . M 8 HOH 66 87 87 HOH HOH A . M 8 HOH 67 89 89 HOH HOH A . M 8 HOH 68 91 91 HOH HOH A . M 8 HOH 69 92 92 HOH HOH A . M 8 HOH 70 93 93 HOH HOH A . M 8 HOH 71 95 95 HOH HOH A . M 8 HOH 72 96 96 HOH HOH A . M 8 HOH 73 99 99 HOH HOH A . M 8 HOH 74 100 100 HOH HOH A . M 8 HOH 75 102 102 HOH HOH A . M 8 HOH 76 103 103 HOH HOH A . M 8 HOH 77 104 104 HOH HOH A . M 8 HOH 78 105 105 HOH HOH A . M 8 HOH 79 106 106 HOH HOH A . M 8 HOH 80 107 107 HOH HOH A . M 8 HOH 81 108 108 HOH HOH A . M 8 HOH 82 109 109 HOH HOH A . M 8 HOH 83 110 110 HOH HOH A . M 8 HOH 84 111 111 HOH HOH A . M 8 HOH 85 112 112 HOH HOH A . M 8 HOH 86 113 113 HOH HOH A . M 8 HOH 87 114 114 HOH HOH A . M 8 HOH 88 115 115 HOH HOH A . M 8 HOH 89 116 116 HOH HOH A . M 8 HOH 90 117 117 HOH HOH A . M 8 HOH 91 118 118 HOH HOH A . M 8 HOH 92 119 119 HOH HOH A . M 8 HOH 93 120 120 HOH HOH A . M 8 HOH 94 121 121 HOH HOH A . M 8 HOH 95 122 122 HOH HOH A . M 8 HOH 96 123 123 HOH HOH A . M 8 HOH 97 124 124 HOH HOH A . M 8 HOH 98 125 125 HOH HOH A . M 8 HOH 99 126 126 HOH HOH A . M 8 HOH 100 127 127 HOH HOH A . M 8 HOH 101 129 129 HOH HOH A . M 8 HOH 102 130 130 HOH HOH A . M 8 HOH 103 131 131 HOH HOH A . M 8 HOH 104 132 132 HOH HOH A . M 8 HOH 105 133 133 HOH HOH A . M 8 HOH 106 134 134 HOH HOH A . M 8 HOH 107 135 135 HOH HOH A . M 8 HOH 108 136 136 HOH HOH A . M 8 HOH 109 137 137 HOH HOH A . M 8 HOH 110 138 138 HOH HOH A . M 8 HOH 111 139 139 HOH HOH A . M 8 HOH 112 140 140 HOH HOH A . M 8 HOH 113 143 143 HOH HOH A . M 8 HOH 114 144 144 HOH HOH A . M 8 HOH 115 145 145 HOH HOH A . M 8 HOH 116 146 146 HOH HOH A . M 8 HOH 117 147 147 HOH HOH A . M 8 HOH 118 148 148 HOH HOH A . M 8 HOH 119 149 149 HOH HOH A . M 8 HOH 120 150 150 HOH HOH A . M 8 HOH 121 151 151 HOH HOH A . M 8 HOH 122 152 152 HOH HOH A . M 8 HOH 123 153 153 HOH HOH A . M 8 HOH 124 154 154 HOH HOH A . M 8 HOH 125 155 155 HOH HOH A . M 8 HOH 126 157 157 HOH HOH A . M 8 HOH 127 159 159 HOH HOH A . M 8 HOH 128 160 160 HOH HOH A . M 8 HOH 129 162 162 HOH HOH A . M 8 HOH 130 163 163 HOH HOH A . M 8 HOH 131 164 164 HOH HOH A . M 8 HOH 132 165 165 HOH HOH A . M 8 HOH 133 166 166 HOH HOH A . M 8 HOH 134 168 168 HOH HOH A . M 8 HOH 135 169 169 HOH HOH A . M 8 HOH 136 170 170 HOH HOH A . M 8 HOH 137 172 172 HOH HOH A . M 8 HOH 138 173 173 HOH HOH A . M 8 HOH 139 174 174 HOH HOH A . M 8 HOH 140 175 175 HOH HOH A . M 8 HOH 141 176 176 HOH HOH A . M 8 HOH 142 177 177 HOH HOH A . M 8 HOH 143 178 178 HOH HOH A . M 8 HOH 144 180 180 HOH HOH A . M 8 HOH 145 181 181 HOH HOH A . M 8 HOH 146 182 182 HOH HOH A . M 8 HOH 147 183 183 HOH HOH A . M 8 HOH 148 184 184 HOH HOH A . M 8 HOH 149 185 185 HOH HOH A . M 8 HOH 150 187 187 HOH HOH A . M 8 HOH 151 189 189 HOH HOH A . M 8 HOH 152 190 190 HOH HOH A . M 8 HOH 153 192 192 HOH HOH A . M 8 HOH 154 193 193 HOH HOH A . M 8 HOH 155 196 196 HOH HOH A . M 8 HOH 156 197 197 HOH HOH A . M 8 HOH 157 198 198 HOH HOH A . M 8 HOH 158 200 200 HOH HOH A . M 8 HOH 159 201 201 HOH HOH A . M 8 HOH 160 202 202 HOH HOH A . M 8 HOH 161 203 203 HOH HOH A . M 8 HOH 162 204 204 HOH HOH A . M 8 HOH 163 205 205 HOH HOH A . M 8 HOH 164 213 213 HOH HOH A . M 8 HOH 165 214 214 HOH HOH A . M 8 HOH 166 215 215 HOH HOH A . M 8 HOH 167 216 216 HOH HOH A . M 8 HOH 168 217 217 HOH HOH A . M 8 HOH 169 218 218 HOH HOH A . M 8 HOH 170 219 219 HOH HOH A . M 8 HOH 171 220 220 HOH HOH A . M 8 HOH 172 221 221 HOH HOH A . M 8 HOH 173 222 222 HOH HOH A . M 8 HOH 174 223 223 HOH HOH A . M 8 HOH 175 224 224 HOH HOH A . M 8 HOH 176 225 225 HOH HOH A . M 8 HOH 177 226 226 HOH HOH A . M 8 HOH 178 227 227 HOH HOH A . M 8 HOH 179 228 228 HOH HOH A . M 8 HOH 180 229 229 HOH HOH A . M 8 HOH 181 230 230 HOH HOH A . M 8 HOH 182 231 231 HOH HOH A . M 8 HOH 183 232 232 HOH HOH A . M 8 HOH 184 233 233 HOH HOH A . M 8 HOH 185 234 234 HOH HOH A . M 8 HOH 186 235 235 HOH HOH A . M 8 HOH 187 236 236 HOH HOH A . M 8 HOH 188 237 237 HOH HOH A . M 8 HOH 189 238 238 HOH HOH A . M 8 HOH 190 239 239 HOH HOH A . M 8 HOH 191 240 240 HOH HOH A . M 8 HOH 192 241 241 HOH HOH A . M 8 HOH 193 242 242 HOH HOH A . M 8 HOH 194 243 243 HOH HOH A . M 8 HOH 195 244 244 HOH HOH A . M 8 HOH 196 245 245 HOH HOH A . M 8 HOH 197 246 246 HOH HOH A . M 8 HOH 198 247 247 HOH HOH A . M 8 HOH 199 248 248 HOH HOH A . M 8 HOH 200 249 249 HOH HOH A . M 8 HOH 201 250 250 HOH HOH A . M 8 HOH 202 251 251 HOH HOH A . M 8 HOH 203 252 252 HOH HOH A . M 8 HOH 204 253 253 HOH HOH A . M 8 HOH 205 254 254 HOH HOH A . M 8 HOH 206 255 255 HOH HOH A . M 8 HOH 207 256 256 HOH HOH A . M 8 HOH 208 257 257 HOH HOH A . M 8 HOH 209 258 258 HOH HOH A . M 8 HOH 210 259 259 HOH HOH A . M 8 HOH 211 260 260 HOH HOH A . M 8 HOH 212 261 261 HOH HOH A . M 8 HOH 213 262 262 HOH HOH A . M 8 HOH 214 263 263 HOH HOH A . M 8 HOH 215 264 264 HOH HOH A . M 8 HOH 216 265 265 HOH HOH A . M 8 HOH 217 266 266 HOH HOH A . M 8 HOH 218 267 267 HOH HOH A . M 8 HOH 219 268 268 HOH HOH A . M 8 HOH 220 269 269 HOH HOH A . M 8 HOH 221 270 270 HOH HOH A . M 8 HOH 222 271 271 HOH HOH A . M 8 HOH 223 272 272 HOH HOH A . M 8 HOH 224 273 273 HOH HOH A . M 8 HOH 225 274 274 HOH HOH A . M 8 HOH 226 275 275 HOH HOH A . M 8 HOH 227 276 276 HOH HOH A . M 8 HOH 228 277 277 HOH HOH A . M 8 HOH 229 278 278 HOH HOH A . M 8 HOH 230 279 279 HOH HOH A . M 8 HOH 231 280 280 HOH HOH A . M 8 HOH 232 281 281 HOH HOH A . M 8 HOH 233 282 282 HOH HOH A . M 8 HOH 234 283 283 HOH HOH A . M 8 HOH 235 284 284 HOH HOH A . M 8 HOH 236 285 285 HOH HOH A . M 8 HOH 237 286 286 HOH HOH A . M 8 HOH 238 288 288 HOH HOH A . M 8 HOH 239 290 290 HOH HOH A . M 8 HOH 240 291 291 HOH HOH A . M 8 HOH 241 292 292 HOH HOH A . M 8 HOH 242 293 293 HOH HOH A . M 8 HOH 243 294 294 HOH HOH A . M 8 HOH 244 295 295 HOH HOH A . M 8 HOH 245 296 296 HOH HOH A . M 8 HOH 246 297 297 HOH HOH A . M 8 HOH 247 298 298 HOH HOH A . M 8 HOH 248 299 299 HOH HOH A . M 8 HOH 249 300 300 HOH HOH A . M 8 HOH 250 301 301 HOH HOH A . M 8 HOH 251 302 302 HOH HOH A . M 8 HOH 252 303 303 HOH HOH A . M 8 HOH 253 304 304 HOH HOH A . M 8 HOH 254 305 305 HOH HOH A . M 8 HOH 255 306 306 HOH HOH A . M 8 HOH 256 307 307 HOH HOH A . M 8 HOH 257 308 308 HOH HOH A . M 8 HOH 258 309 309 HOH HOH A . M 8 HOH 259 310 310 HOH HOH A . M 8 HOH 260 311 311 HOH HOH A . M 8 HOH 261 312 312 HOH HOH A . M 8 HOH 262 313 313 HOH HOH A . M 8 HOH 263 314 314 HOH HOH A . M 8 HOH 264 315 315 HOH HOH A . M 8 HOH 265 316 316 HOH HOH A . M 8 HOH 266 317 317 HOH HOH A . M 8 HOH 267 318 318 HOH HOH A . M 8 HOH 268 319 319 HOH HOH A . M 8 HOH 269 320 320 HOH HOH A . M 8 HOH 270 687 2 HOH HOH A . M 8 HOH 271 688 3 HOH HOH A . M 8 HOH 272 689 4 HOH HOH A . M 8 HOH 273 690 8 HOH HOH A . M 8 HOH 274 691 68 HOH HOH A . M 8 HOH 275 692 81 HOH HOH A . M 8 HOH 276 693 82 HOH HOH A . M 8 HOH 277 694 84 HOH HOH A . M 8 HOH 278 695 85 HOH HOH A . M 8 HOH 279 696 90 HOH HOH A . #