data_2DXY # _entry.id 2DXY # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.286 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 2DXY RCSB RCSB025981 WWPDB D_1000025981 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 2HCA 'Crystal structure of bovine lactoferrin C-lobe liganded with Glucose at 2.8 A resolution' unspecified PDB 2DWJ 'Structure of the complex of C-terminal lobe of bovine lactoferrin with raffinose at 2.3 A resolution' unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 2DXY _pdbx_database_status.recvd_initial_deposition_date 2006-09-03 _pdbx_database_status.deposit_site PDBJ _pdbx_database_status.process_site PDBJ _pdbx_database_status.status_code_sf ? _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Mir, R.' 1 'Singh, N.' 2 'Sinha, M.' 3 'Sharma, S.' 4 'Bhushan, A.' 5 'Singh, T.P.' 6 # _citation.id primary _citation.title 'Structure of the complex of C-terminal lobe of bovine lactoferrin with trehalose at 2.0 A resolution' _citation.journal_abbrev 'To be Published' _citation.journal_volume ? _citation.page_first ? _citation.page_last ? _citation.year ? _citation.journal_id_ASTM ? _citation.country ? _citation.journal_id_ISSN ? _citation.journal_id_CSD 0353 _citation.book_publisher ? _citation.pdbx_database_id_PubMed ? _citation.pdbx_database_id_DOI ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Mir, R.' 1 primary 'Singh, N.' 2 primary 'Sinha, M.' 3 primary 'Sharma, S.' 4 primary 'Bhushan, A.' 5 primary 'Singh, T.P.' 6 # _cell.entry_id 2DXY _cell.length_a 63.374 _cell.length_b 50.413 _cell.length_c 65.909 _cell.angle_alpha 90.00 _cell.angle_beta 107.81 _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 2DXY _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-terminal lobe(residues 342-686)' ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 5 ? ? ? ? 3 non-polymer man BETA-D-MANNOSE 180.156 2 ? ? ? ? 4 non-polymer man ALPHA-D-MANNOSE 180.156 1 ? ? ? ? 5 non-polymer syn 'FE (III) ION' 55.845 1 ? ? ? ? 6 non-polymer syn 'CARBONATE ION' 60.009 1 ? ? ? ? 7 non-polymer syn 'SULFATE ION' 96.063 1 ? ? ? ? 8 non-polymer syn 'ZINC ION' 65.409 2 ? ? ? ? 9 non-polymer syn TREHALOSE 342.296 1 ? ? ? ? 10 water nat water 18.015 291 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name Lactoferrin # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no _entity_poly.pdbx_seq_one_letter_code ;YTRVVWCAVGPEEQKKCQQWSQQSGQNVTCATASTTDDCIVLVLKGEADALNLDGGYIYTAGKCGLVPVLAENRKSSKHS SLDCVLRPTEGYLAVAVVKKANEGLTWNSLKDKKSCHTAVDRTAGWNIPMGLIVNQTGSCAFDEFFSQSCAPGADPKSRL CALCAGDDQGLDKCVPNSKEKYYGYTGAFRCLAEDVGDVAFVKNDTVWENTNGESTADWAKNLKREDFRLLCLDGTRKPV TEAQSCHLAVAPNHAVVSRSDRAAHVEQVLLHQQALFGKNGKNCPDKFCLFKSETKNLLFNDNTECLAKLGGRPTYEEYL GTEYVTAIANLKKCSTSPLLEACAF ; _entity_poly.pdbx_seq_one_letter_code_can ;YTRVVWCAVGPEEQKKCQQWSQQSGQNVTCATASTTDDCIVLVLKGEADALNLDGGYIYTAGKCGLVPVLAENRKSSKHS SLDCVLRPTEGYLAVAVVKKANEGLTWNSLKDKKSCHTAVDRTAGWNIPMGLIVNQTGSCAFDEFFSQSCAPGADPKSRL CALCAGDDQGLDKCVPNSKEKYYGYTGAFRCLAEDVGDVAFVKNDTVWENTNGESTADWAKNLKREDFRLLCLDGTRKPV TEAQSCHLAVAPNHAVVSRSDRAAHVEQVLLHQQALFGKNGKNCPDKFCLFKSETKNLLFNDNTECLAKLGGRPTYEEYL GTEYVTAIANLKKCSTSPLLEACAF ; _entity_poly.pdbx_strand_id A _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 TYR n 1 2 THR n 1 3 ARG n 1 4 VAL n 1 5 VAL n 1 6 TRP n 1 7 CYS n 1 8 ALA n 1 9 VAL n 1 10 GLY n 1 11 PRO n 1 12 GLU n 1 13 GLU n 1 14 GLN n 1 15 LYS n 1 16 LYS n 1 17 CYS n 1 18 GLN n 1 19 GLN n 1 20 TRP n 1 21 SER n 1 22 GLN n 1 23 GLN n 1 24 SER n 1 25 GLY n 1 26 GLN n 1 27 ASN n 1 28 VAL n 1 29 THR n 1 30 CYS n 1 31 ALA n 1 32 THR n 1 33 ALA n 1 34 SER n 1 35 THR n 1 36 THR n 1 37 ASP n 1 38 ASP n 1 39 CYS n 1 40 ILE n 1 41 VAL n 1 42 LEU n 1 43 VAL n 1 44 LEU n 1 45 LYS n 1 46 GLY n 1 47 GLU n 1 48 ALA n 1 49 ASP n 1 50 ALA n 1 51 LEU n 1 52 ASN n 1 53 LEU n 1 54 ASP n 1 55 GLY n 1 56 GLY n 1 57 TYR n 1 58 ILE n 1 59 TYR n 1 60 THR n 1 61 ALA n 1 62 GLY n 1 63 LYS n 1 64 CYS n 1 65 GLY n 1 66 LEU n 1 67 VAL n 1 68 PRO n 1 69 VAL n 1 70 LEU n 1 71 ALA n 1 72 GLU n 1 73 ASN n 1 74 ARG n 1 75 LYS n 1 76 SER n 1 77 SER n 1 78 LYS n 1 79 HIS n 1 80 SER n 1 81 SER n 1 82 LEU n 1 83 ASP n 1 84 CYS n 1 85 VAL n 1 86 LEU n 1 87 ARG n 1 88 PRO n 1 89 THR n 1 90 GLU n 1 91 GLY n 1 92 TYR n 1 93 LEU n 1 94 ALA n 1 95 VAL n 1 96 ALA n 1 97 VAL n 1 98 VAL n 1 99 LYS n 1 100 LYS n 1 101 ALA n 1 102 ASN n 1 103 GLU n 1 104 GLY n 1 105 LEU n 1 106 THR n 1 107 TRP n 1 108 ASN n 1 109 SER n 1 110 LEU n 1 111 LYS n 1 112 ASP n 1 113 LYS n 1 114 LYS n 1 115 SER n 1 116 CYS n 1 117 HIS n 1 118 THR n 1 119 ALA n 1 120 VAL n 1 121 ASP n 1 122 ARG n 1 123 THR n 1 124 ALA n 1 125 GLY n 1 126 TRP n 1 127 ASN n 1 128 ILE n 1 129 PRO n 1 130 MET n 1 131 GLY n 1 132 LEU n 1 133 ILE n 1 134 VAL n 1 135 ASN n 1 136 GLN n 1 137 THR n 1 138 GLY n 1 139 SER n 1 140 CYS n 1 141 ALA n 1 142 PHE n 1 143 ASP n 1 144 GLU n 1 145 PHE n 1 146 PHE n 1 147 SER n 1 148 GLN n 1 149 SER n 1 150 CYS n 1 151 ALA n 1 152 PRO n 1 153 GLY n 1 154 ALA n 1 155 ASP n 1 156 PRO n 1 157 LYS n 1 158 SER n 1 159 ARG n 1 160 LEU n 1 161 CYS n 1 162 ALA n 1 163 LEU n 1 164 CYS n 1 165 ALA n 1 166 GLY n 1 167 ASP n 1 168 ASP n 1 169 GLN n 1 170 GLY n 1 171 LEU n 1 172 ASP n 1 173 LYS n 1 174 CYS n 1 175 VAL n 1 176 PRO n 1 177 ASN n 1 178 SER n 1 179 LYS n 1 180 GLU n 1 181 LYS n 1 182 TYR n 1 183 TYR n 1 184 GLY n 1 185 TYR n 1 186 THR n 1 187 GLY n 1 188 ALA n 1 189 PHE n 1 190 ARG n 1 191 CYS n 1 192 LEU n 1 193 ALA n 1 194 GLU n 1 195 ASP n 1 196 VAL n 1 197 GLY n 1 198 ASP n 1 199 VAL n 1 200 ALA n 1 201 PHE n 1 202 VAL n 1 203 LYS n 1 204 ASN n 1 205 ASP n 1 206 THR n 1 207 VAL n 1 208 TRP n 1 209 GLU n 1 210 ASN n 1 211 THR n 1 212 ASN n 1 213 GLY n 1 214 GLU n 1 215 SER n 1 216 THR n 1 217 ALA n 1 218 ASP n 1 219 TRP n 1 220 ALA n 1 221 LYS n 1 222 ASN n 1 223 LEU n 1 224 LYS n 1 225 ARG n 1 226 GLU n 1 227 ASP n 1 228 PHE n 1 229 ARG n 1 230 LEU n 1 231 LEU n 1 232 CYS n 1 233 LEU n 1 234 ASP n 1 235 GLY n 1 236 THR n 1 237 ARG n 1 238 LYS n 1 239 PRO n 1 240 VAL n 1 241 THR n 1 242 GLU n 1 243 ALA n 1 244 GLN n 1 245 SER n 1 246 CYS n 1 247 HIS n 1 248 LEU n 1 249 ALA n 1 250 VAL n 1 251 ALA n 1 252 PRO n 1 253 ASN n 1 254 HIS n 1 255 ALA n 1 256 VAL n 1 257 VAL n 1 258 SER n 1 259 ARG n 1 260 SER n 1 261 ASP n 1 262 ARG n 1 263 ALA n 1 264 ALA n 1 265 HIS n 1 266 VAL n 1 267 GLU n 1 268 GLN n 1 269 VAL n 1 270 LEU n 1 271 LEU n 1 272 HIS n 1 273 GLN n 1 274 GLN n 1 275 ALA n 1 276 LEU n 1 277 PHE n 1 278 GLY n 1 279 LYS n 1 280 ASN n 1 281 GLY n 1 282 LYS n 1 283 ASN n 1 284 CYS n 1 285 PRO n 1 286 ASP n 1 287 LYS n 1 288 PHE n 1 289 CYS n 1 290 LEU n 1 291 PHE n 1 292 LYS n 1 293 SER n 1 294 GLU n 1 295 THR n 1 296 LYS n 1 297 ASN n 1 298 LEU n 1 299 LEU n 1 300 PHE n 1 301 ASN n 1 302 ASP n 1 303 ASN n 1 304 THR n 1 305 GLU n 1 306 CYS n 1 307 LEU n 1 308 ALA n 1 309 LYS n 1 310 LEU n 1 311 GLY n 1 312 GLY n 1 313 ARG n 1 314 PRO n 1 315 THR n 1 316 TYR n 1 317 GLU n 1 318 GLU n 1 319 TYR n 1 320 LEU n 1 321 GLY n 1 322 THR n 1 323 GLU n 1 324 TYR n 1 325 VAL n 1 326 THR n 1 327 ALA n 1 328 ILE n 1 329 ALA n 1 330 ASN n 1 331 LEU n 1 332 LYS n 1 333 LYS n 1 334 CYS n 1 335 SER n 1 336 THR n 1 337 SER n 1 338 PRO n 1 339 LEU n 1 340 LEU n 1 341 GLU n 1 342 ALA n 1 343 CYS n 1 344 ALA n 1 345 PHE n # _entity_src_nat.entity_id 1 _entity_src_nat.pdbx_src_id 1 _entity_src_nat.pdbx_alt_source_flag sample _entity_src_nat.pdbx_beg_seq_num ? _entity_src_nat.pdbx_end_seq_num ? _entity_src_nat.common_name cattle _entity_src_nat.pdbx_organism_scientific 'Bos taurus' _entity_src_nat.pdbx_ncbi_taxonomy_id 9913 _entity_src_nat.genus Bos _entity_src_nat.species ? _entity_src_nat.strain ? _entity_src_nat.tissue ? _entity_src_nat.tissue_fraction ? _entity_src_nat.pdbx_secretion ? _entity_src_nat.pdbx_fragment ? _entity_src_nat.pdbx_variant ? _entity_src_nat.pdbx_cell_line ? _entity_src_nat.pdbx_atcc ? _entity_src_nat.pdbx_cellular_location ? _entity_src_nat.pdbx_organ ? _entity_src_nat.pdbx_organelle ? _entity_src_nat.pdbx_cell ? _entity_src_nat.pdbx_plasmid_name ? _entity_src_nat.pdbx_plasmid_details ? _entity_src_nat.details ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code TRFL_BOVIN _struct_ref.pdbx_db_accession P24627 _struct_ref.entity_id 1 _struct_ref.pdbx_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 2DXY _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 2DXY LYS A 224 ? UNP P24627 ASN 584 'SEE REMARK 999' 565 1 1 2DXY 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 BMA D-saccharide . BETA-D-MANNOSE ? 'C6 H12 O6' 180.156 CO3 non-polymer . 'CARBONATE ION' ? 'C O3 -2' 60.009 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 FE non-polymer . 'FE (III) ION' ? 'Fe 3' 55.845 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MAN D-saccharide . ALPHA-D-MANNOSE ? 'C6 H12 O6' 180.156 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 SO4 non-polymer . 'SULFATE ION' ? 'O4 S -2' 96.063 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRE saccharide . TREHALOSE ALPHA-D-GLUCOPYRANOSYL-ALPHA-D-GLUCOPYRANOSIDE 'C12 H22 O11' 342.296 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 2DXY _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.66 _exptl_crystal.density_percent_sol 53.78 _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 '0.1M MES, PEG MONOMETHYLETHER, 0.1M ZNSO4, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K' _exptl_crystal_grow.pdbx_pH_range . # _diffrn.id 1 _diffrn.ambient_temp 292 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector 'IMAGE PLATE' _diffrn_detector.type 'MAR scanner 345 mm plate' _diffrn_detector.pdbx_collection_date 2006-08-31 _diffrn_detector.details Mirorr # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator graphite _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.5412 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source 'ROTATING ANODE' _diffrn_source.type 'RIGAKU RU300' _diffrn_source.pdbx_synchrotron_site ? _diffrn_source.pdbx_synchrotron_beamline ? _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 1.5412 # _reflns.entry_id 2DXY _reflns.observed_criterion_sigma_F 0 _reflns.observed_criterion_sigma_I 0 _reflns.d_resolution_high 2.03 _reflns.d_resolution_low 63.25 _reflns.number_all 25250 _reflns.number_obs 24409 _reflns.percent_possible_obs 97.6 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI ? _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy ? _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # _reflns_shell.d_res_high 2.03 _reflns_shell.d_res_low 2.10 _reflns_shell.percent_possible_all 95.1 _reflns_shell.Rmerge_I_obs ? _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs ? _reflns_shell.pdbx_redundancy ? _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all ? _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_unique_obs ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 # _refine.entry_id 2DXY _refine.ls_number_reflns_obs 24409 _refine.ls_number_reflns_all 25250 _refine.pdbx_ls_sigma_I 0 _refine.pdbx_ls_sigma_F 0 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 63.25 _refine.ls_d_res_high 2.03 _refine.ls_percent_reflns_obs 97.55 _refine.ls_R_factor_obs 0.17159 _refine.ls_R_factor_all 0.18 _refine.ls_R_factor_R_work 0.16902 _refine.ls_R_factor_R_free 0.2108 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 3.2 _refine.ls_number_reflns_R_free 806 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.966 _refine.correlation_coeff_Fo_to_Fc_free 0.946 _refine.B_iso_mean 38.565 _refine.aniso_B[1][1] 0.70 _refine.aniso_B[2][2] -0.85 _refine.aniso_B[3][3] -0.52 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] -1.10 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details 'BABINET MODEL WITH MASK' _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.40 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' _refine.pdbx_starting_model 2B6D _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R 0.172 _refine.pdbx_overall_ESU_R_Free 0.154 _refine.overall_SU_ML 0.123 _refine.overall_SU_B 4.505 _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_overall_phase_error ? _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 2605 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 138 _refine_hist.number_atoms_solvent 291 _refine_hist.number_atoms_total 3034 _refine_hist.d_res_high 2.03 _refine_hist.d_res_low 63.25 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function r_bond_refined_d 0.014 0.021 ? 2805 'X-RAY DIFFRACTION' ? r_bond_other_d ? ? ? ? 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.746 2.009 ? 3817 'X-RAY DIFFRACTION' ? r_angle_other_deg ? ? ? ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 4.685 3.000 ? 339 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg ? ? ? ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 20.164 15.000 ? 466 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg ? ? ? ? 'X-RAY DIFFRACTION' ? r_chiral_restr 0.115 0.200 ? 448 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.006 0.020 ? 2033 'X-RAY DIFFRACTION' ? r_gen_planes_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbd_refined 0.245 0.300 ? 1277 'X-RAY DIFFRACTION' ? r_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_refined 0.177 0.500 ? 317 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_refined 0.182 0.500 ? 6 'X-RAY DIFFRACTION' ? r_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined 0.279 0.300 ? 34 'X-RAY DIFFRACTION' ? r_symmetry_vdw_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined 0.892 0.500 ? 7 'X-RAY DIFFRACTION' ? r_symmetry_hbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcbond_it 1.063 1.500 ? 1693 'X-RAY DIFFRACTION' ? r_mcbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcangle_it 2.012 2.000 ? 2700 'X-RAY DIFFRACTION' ? r_scbond_it 2.881 3.000 ? 1112 'X-RAY DIFFRACTION' ? r_scangle_it 4.917 4.500 ? 1117 'X-RAY DIFFRACTION' ? r_rigid_bond_restr ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_free ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_bonded ? ? ? ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 2.030 _refine_ls_shell.d_res_low 2.083 _refine_ls_shell.number_reflns_R_work 1751 _refine_ls_shell.R_factor_R_work 0.224 _refine_ls_shell.percent_reflns_obs ? _refine_ls_shell.R_factor_R_free 0.309 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 60 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' # _struct.entry_id 2DXY _struct.title 'Structure of the complex of C-terminal lobe of bovine lactoferrin with trehalose at 2.0 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 2DXY _struct_keywords.pdbx_keywords 'METAL BINDING PROTEIN' _struct_keywords.text 'C-lobe, Lactoferrin, Complex, METAL BINDING PROTEIN' # 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 3 ? F N N 2 ? G N N 2 ? H N N 4 ? I N N 3 ? J N N 5 ? K N N 6 ? L N N 7 ? M N N 8 ? N N N 8 ? O N N 9 ? P N N 10 ? # _struct_biol.id 1 # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 GLY A 10 ? SER A 24 ? GLY A 351 SER A 365 1 ? 15 HELX_P HELX_P2 2 THR A 35 ? LYS A 45 ? THR A 376 LYS A 386 1 ? 11 HELX_P HELX_P3 3 ASP A 54 ? CYS A 64 ? ASP A 395 CYS A 405 1 ? 11 HELX_P HELX_P4 4 ASP A 83 ? ARG A 87 ? ASP A 424 ARG A 428 5 ? 5 HELX_P HELX_P5 5 THR A 106 ? LEU A 110 ? THR A 447 LEU A 451 5 ? 5 HELX_P HELX_P6 6 TRP A 126 ? GLY A 138 ? TRP A 467 GLY A 479 1 ? 13 HELX_P HELX_P7 7 ALA A 141 ? PHE A 146 ? ALA A 482 PHE A 487 1 ? 6 HELX_P HELX_P8 8 SER A 158 ? ALA A 162 ? SER A 499 ALA A 503 5 ? 5 HELX_P HELX_P9 9 TYR A 183 ? GLU A 194 ? TYR A 524 GLU A 535 1 ? 12 HELX_P HELX_P10 10 ASN A 204 ? ASN A 210 ? ASN A 545 ASN A 551 1 ? 7 HELX_P HELX_P11 11 LYS A 224 ? GLU A 226 ? LYS A 565 GLU A 567 5 ? 3 HELX_P HELX_P12 12 THR A 241 ? CYS A 246 ? THR A 582 CYS A 587 5 ? 6 HELX_P HELX_P13 13 ARG A 262 ? GLY A 278 ? ARG A 603 GLY A 619 1 ? 17 HELX_P HELX_P14 14 THR A 315 ? GLY A 321 ? THR A 656 GLY A 662 1 ? 7 HELX_P HELX_P15 15 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 ? ? ? ? ? ? ? 1.988 ? disulf2 disulf ? ? A CYS 17 SG ? ? ? 1_555 A CYS 30 SG ? ? A CYS 358 A CYS 371 1_555 ? ? ? ? ? ? ? 2.010 ? disulf3 disulf ? ? A CYS 64 SG ? ? ? 1_555 A CYS 343 SG ? ? A CYS 405 A CYS 684 1_555 ? ? ? ? ? ? ? 2.051 ? disulf4 disulf ? ? A CYS 84 SG ? ? ? 1_555 A CYS 306 SG ? ? A CYS 425 A CYS 647 1_555 ? ? ? ? ? ? ? 2.015 ? disulf5 disulf ? ? A CYS 116 SG ? ? ? 1_555 A CYS 191 SG ? ? A CYS 457 A CYS 532 1_555 ? ? ? ? ? ? ? 2.029 ? disulf6 disulf ? ? A CYS 140 SG ? ? ? 1_555 A CYS 334 SG ? ? A CYS 481 A CYS 675 1_555 ? ? ? ? ? ? ? 2.024 ? disulf7 disulf ? ? A CYS 150 SG ? ? ? 1_555 A CYS 164 SG ? ? A CYS 491 A CYS 505 1_555 ? ? ? ? ? ? ? 2.003 ? disulf8 disulf ? ? A CYS 161 SG ? ? ? 1_555 A CYS 174 SG ? ? A CYS 502 A CYS 515 1_555 ? ? ? ? ? ? ? 2.013 ? disulf9 disulf ? ? A CYS 232 SG ? ? ? 1_555 A CYS 246 SG ? ? A CYS 573 A CYS 587 1_555 ? ? ? ? ? ? ? 2.040 ? disulf10 disulf ? ? A CYS 284 SG ? ? ? 1_555 A CYS 289 SG ? ? A CYS 625 A CYS 630 1_555 ? ? ? ? ? ? ? 2.005 ? covale1 covale ? ? A ASN 27 ND2 ? ? ? 1_555 B NAG . C1 ? ? A ASN 368 A NAG 1001 1_555 ? ? ? ? ? ? ? 1.438 ? covale2 covale ? ? A ASN 135 ND2 ? ? ? 1_555 C NAG . C1 ? ? A ASN 476 A NAG 2 1_555 ? ? ? ? ? ? ? 1.504 ? covale3 covale ? ? A ASN 204 ND2 ? ? ? 1_555 F NAG . C1 ? ? A ASN 545 A NAG 5 1_555 ? ? ? ? ? ? ? 1.460 ? covale4 covale ? ? C NAG . O4 ? ? ? 1_555 D NAG . C1 ? ? A NAG 2 A NAG 3 1_555 ? ? ? ? ? ? ? 1.462 ? covale5 covale ? ? D NAG . O4 ? ? ? 1_555 E BMA . C1 ? ? A NAG 3 A BMA 4 1_555 ? ? ? ? ? ? ? 1.465 ? covale6 covale ? ? F NAG . O4 ? ? ? 1_555 G NAG . C1 ? ? A NAG 5 A NAG 6 1_555 ? ? ? ? ? ? ? 1.449 ? covale7 covale ? ? G NAG . O4 ? ? ? 1_555 H MAN . C1 ? ? A NAG 6 A MAN 7 1_555 ? ? ? ? ? ? ? 1.465 ? covale8 covale ? ? H MAN . O4 ? ? ? 1_555 I BMA . C1 ? ? A MAN 7 A BMA 8 1_555 ? ? ? ? ? ? ? 1.453 ? metalc1 metalc ? ? A ASP 54 OD1 ? ? ? 1_555 J FE . FE ? ? A ASP 395 A FE 1687 1_555 ? ? ? ? ? ? ? 2.052 ? metalc2 metalc ? ? A TYR 92 OH ? ? ? 1_555 J FE . FE ? ? A TYR 433 A FE 1687 1_555 ? ? ? ? ? ? ? 1.970 ? metalc3 metalc ? ? A TYR 185 OH ? ? ? 1_555 J FE . FE ? ? A TYR 526 A FE 1687 1_555 ? ? ? ? ? ? ? 1.854 ? metalc4 metalc ? ? A HIS 247 NE2 ? ? ? 1_555 N ZN . ZN ? ? A HIS 588 A ZN 1102 1_555 ? ? ? ? ? ? ? 2.011 ? metalc5 metalc ? ? A HIS 254 NE2 ? ? ? 1_555 J FE . FE ? ? A HIS 595 A FE 1687 1_555 ? ? ? ? ? ? ? 2.165 ? metalc6 metalc ? ? A GLU 318 OE1 ? ? ? 1_555 M ZN . ZN ? ? A GLU 659 A ZN 1101 1_555 ? ? ? ? ? ? ? 2.332 ? metalc7 metalc ? ? A GLU 318 OE2 ? ? ? 1_555 M ZN . ZN ? ? A GLU 659 A ZN 1101 1_555 ? ? ? ? ? ? ? 2.059 ? metalc8 metalc ? ? J FE . FE ? ? ? 1_555 K CO3 . O1 ? ? A FE 1687 A CO3 1999 1_555 ? ? ? ? ? ? ? 2.132 ? metalc9 metalc ? ? J FE . FE ? ? ? 1_555 K CO3 . O2 ? ? A FE 1687 A CO3 1999 1_555 ? ? ? ? ? ? ? 1.945 ? metalc10 metalc ? ? M ZN . ZN ? ? ? 1_555 P HOH . O ? ? A ZN 1101 A HOH 2194 1_555 ? ? ? ? ? ? ? 1.839 ? metalc11 metalc ? ? N ZN . ZN ? ? ? 1_555 P HOH . O ? ? A ZN 1102 A HOH 2289 1_555 ? ? ? ? ? ? ? 1.910 ? metalc12 metalc ? ? N ZN . ZN ? ? ? 1_555 P HOH . O ? ? A ZN 1102 A HOH 2254 1_555 ? ? ? ? ? ? ? 1.892 ? # 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 6.16 # 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 ? LYS A 309 ? CYS A 647 LYS A 650 C 1 SER A 149 ? CYS A 150 ? SER A 490 CYS A 491 C 2 SER A 115 ? HIS A 117 ? SER A 456 HIS A 458 C 3 VAL A 199 ? LYS A 203 ? VAL A 540 LYS A 544 C 4 TYR A 92 ? LYS A 99 ? TYR A 433 LYS A 440 C 5 PHE A 228 ? LEU A 231 ? PHE A 569 LEU A 572 C 6 ARG A 237 ? PRO A 239 ? ARG A 578 PRO A 580 D 1 SER A 149 ? CYS A 150 ? SER A 490 CYS A 491 D 2 SER A 115 ? HIS A 117 ? SER A 456 HIS A 458 D 3 VAL A 199 ? LYS A 203 ? VAL A 540 LYS A 544 D 4 TYR A 92 ? LYS A 99 ? TYR A 433 LYS A 440 D 5 ALA A 249 ? ALA A 251 ? ALA A 590 ALA A 592 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 N TRP A 6 ? N TRP A 347 O THR A 29 ? O THR A 370 B 1 2 N LEU A 53 ? N LEU A 394 O ALA A 255 ? O ALA A 596 B 2 3 O VAL A 256 ? O VAL A 597 N VAL A 69 ? N VAL A 410 B 3 4 N ALA A 71 ? N ALA A 412 O ALA A 308 ? O ALA A 649 C 1 2 O CYS A 150 ? O CYS A 491 N HIS A 117 ? N HIS A 458 C 2 3 N CYS A 116 ? N CYS A 457 O PHE A 201 ? O PHE A 542 C 3 4 O 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 ? ? ? ? 7 'BINDING SITE FOR RESIDUE NAG A 1001' AC2 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 2' AC3 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 3' AC4 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE BMA A 4' AC5 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 5' AC6 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG A 6' AC7 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE MAN A 7' AC8 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE BMA A 8' AC9 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE FE A 1687' BC1 Software ? ? ? ? 10 'BINDING SITE FOR RESIDUE CO3 A 1999' BC2 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE SO4 A 2000' BC3 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE ZN A 1101' BC4 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE ZN A 1102' BC5 Software ? ? ? ? 10 'BINDING SITE FOR RESIDUE TRE A 1151' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 7 SER A 24 ? SER A 365 . ? 1_555 ? 2 AC1 7 ASN A 27 ? ASN A 368 . ? 1_555 ? 3 AC1 7 HIS A 272 ? HIS A 613 . ? 1_555 ? 4 AC1 7 GLN A 273 ? GLN A 614 . ? 1_555 ? 5 AC1 7 LEU A 276 ? LEU A 617 . ? 1_555 ? 6 AC1 7 HOH P . ? HOH A 2128 . ? 1_555 ? 7 AC1 7 HOH P . ? HOH A 2144 . ? 1_555 ? 8 AC2 4 NAG D . ? NAG A 3 . ? 1_555 ? 9 AC2 4 ASN A 135 ? ASN A 476 . ? 1_555 ? 10 AC2 4 ASN A 330 ? ASN A 671 . ? 1_555 ? 11 AC2 4 HOH P . ? HOH A 2093 . ? 1_555 ? 12 AC3 4 NAG C . ? NAG A 2 . ? 1_555 ? 13 AC3 4 BMA E . ? BMA A 4 . ? 1_555 ? 14 AC3 4 ASN A 330 ? ASN A 671 . ? 1_555 ? 15 AC3 4 HOH P . ? HOH A 2133 . ? 1_555 ? 16 AC4 2 NAG D . ? NAG A 3 . ? 1_555 ? 17 AC4 2 HOH P . ? HOH A 2133 . ? 1_555 ? 18 AC5 4 NAG G . ? NAG A 6 . ? 1_555 ? 19 AC5 4 ASN A 204 ? ASN A 545 . ? 1_555 ? 20 AC5 4 ASP A 205 ? ASP A 546 . ? 1_555 ? 21 AC5 4 TRP A 208 ? TRP A 549 . ? 1_555 ? 22 AC6 5 NAG F . ? NAG A 5 . ? 1_555 ? 23 AC6 5 MAN H . ? MAN A 7 . ? 1_555 ? 24 AC6 5 BMA I . ? BMA A 8 . ? 1_555 ? 25 AC6 5 SER A 77 ? SER A 418 . ? 1_555 ? 26 AC6 5 HOH P . ? HOH A 2239 . ? 1_555 ? 27 AC7 3 NAG G . ? NAG A 6 . ? 1_555 ? 28 AC7 3 BMA I . ? BMA A 8 . ? 1_555 ? 29 AC7 3 HOH P . ? HOH A 2239 . ? 1_555 ? 30 AC8 5 NAG G . ? NAG A 6 . ? 1_555 ? 31 AC8 5 MAN H . ? MAN A 7 . ? 1_555 ? 32 AC8 5 GLU A 214 ? GLU A 555 . ? 1_555 ? 33 AC8 5 HOH P . ? HOH A 2184 . ? 1_555 ? 34 AC8 5 HOH P . ? HOH A 2186 . ? 1_555 ? 35 AC9 5 ASP A 54 ? ASP A 395 . ? 1_555 ? 36 AC9 5 TYR A 92 ? TYR A 433 . ? 1_555 ? 37 AC9 5 TYR A 185 ? TYR A 526 . ? 1_555 ? 38 AC9 5 HIS A 254 ? HIS A 595 . ? 1_555 ? 39 AC9 5 CO3 K . ? CO3 A 1999 . ? 1_555 ? 40 BC1 10 ASP A 54 ? ASP A 395 . ? 1_555 ? 41 BC1 10 TYR A 92 ? TYR A 433 . ? 1_555 ? 42 BC1 10 THR A 118 ? THR A 459 . ? 1_555 ? 43 BC1 10 ARG A 122 ? ARG A 463 . ? 1_555 ? 44 BC1 10 THR A 123 ? THR A 464 . ? 1_555 ? 45 BC1 10 ALA A 124 ? ALA A 465 . ? 1_555 ? 46 BC1 10 GLY A 125 ? GLY A 466 . ? 1_555 ? 47 BC1 10 TYR A 185 ? TYR A 526 . ? 1_555 ? 48 BC1 10 HIS A 254 ? HIS A 595 . ? 1_555 ? 49 BC1 10 FE J . ? FE A 1687 . ? 1_555 ? 50 BC2 4 LYS A 100 ? LYS A 441 . ? 1_555 ? 51 BC2 4 ARG A 229 ? ARG A 570 . ? 1_555 ? 52 BC2 4 ARG A 237 ? ARG A 578 . ? 1_555 ? 53 BC2 4 HOH P . ? HOH A 2127 . ? 1_555 ? 54 BC3 2 GLU A 318 ? GLU A 659 . ? 1_555 ? 55 BC3 2 HOH P . ? HOH A 2194 . ? 1_555 ? 56 BC4 4 HIS A 247 ? HIS A 588 . ? 1_555 ? 57 BC4 4 HOH P . ? HOH A 2162 . ? 1_555 ? 58 BC4 4 HOH P . ? HOH A 2254 . ? 1_555 ? 59 BC4 4 HOH P . ? HOH A 2289 . ? 1_555 ? 60 BC5 10 THR A 89 ? THR A 430 . ? 1_555 ? 61 BC5 10 GLU A 90 ? GLU A 431 . ? 1_555 ? 62 BC5 10 GLY A 91 ? GLY A 432 . ? 1_555 ? 63 BC5 10 VAL A 250 ? VAL A 591 . ? 1_555 ? 64 BC5 10 ALA A 251 ? ALA A 592 . ? 1_555 ? 65 BC5 10 PRO A 252 ? PRO A 593 . ? 1_555 ? 66 BC5 10 ASN A 253 ? ASN A 594 . ? 1_555 ? 67 BC5 10 TYR A 319 ? TYR A 660 . ? 1_555 ? 68 BC5 10 HOH P . ? HOH A 2191 . ? 1_555 ? 69 BC5 10 HOH P . ? HOH A 2278 . ? 1_555 ? # _database_PDB_matrix.entry_id 2DXY _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 2DXY _atom_sites.fract_transf_matrix[1][1] 0.015779 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.005069 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.019836 _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] 0.015936 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C FE N O S ZN # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . TYR A 1 1 ? 38.798 10.290 30.422 1.00 62.77 ? 342 TYR A N 1 ATOM 2 C CA . TYR A 1 1 ? 38.622 11.743 30.108 1.00 62.48 ? 342 TYR A CA 1 ATOM 3 C C . TYR A 1 1 ? 38.313 11.935 28.643 1.00 61.12 ? 342 TYR A C 1 ATOM 4 O O . TYR A 1 1 ? 37.148 11.892 28.244 1.00 61.65 ? 342 TYR A O 1 ATOM 5 C CB . TYR A 1 1 ? 39.889 12.518 30.403 1.00 63.79 ? 342 TYR A CB 1 ATOM 6 C CG . TYR A 1 1 ? 40.339 12.471 31.830 1.00 67.08 ? 342 TYR A CG 1 ATOM 7 C CD1 . TYR A 1 1 ? 39.427 12.600 32.883 1.00 69.58 ? 342 TYR A CD1 1 ATOM 8 C CD2 . TYR A 1 1 ? 41.692 12.296 32.136 1.00 70.07 ? 342 TYR A CD2 1 ATOM 9 C CE1 . TYR A 1 1 ? 39.858 12.560 34.213 1.00 71.10 ? 342 TYR A CE1 1 ATOM 10 C CE2 . TYR A 1 1 ? 42.135 12.253 33.454 1.00 71.64 ? 342 TYR A CE2 1 ATOM 11 C CZ . TYR A 1 1 ? 41.216 12.384 34.491 1.00 72.04 ? 342 TYR A CZ 1 ATOM 12 O OH . TYR A 1 1 ? 41.672 12.343 35.796 1.00 72.05 ? 342 TYR A OH 1 ATOM 13 N N . THR A 1 2 ? 39.357 12.178 27.846 1.00 58.55 ? 343 THR A N 1 ATOM 14 C CA . THR A 1 2 ? 39.166 12.141 26.412 1.00 55.80 ? 343 THR A CA 1 ATOM 15 C C . THR A 1 2 ? 39.098 10.646 26.038 1.00 53.26 ? 343 THR A C 1 ATOM 16 O O . THR A 1 2 ? 39.207 10.271 24.850 1.00 53.26 ? 343 THR A O 1 ATOM 17 C CB . THR A 1 2 ? 40.256 12.920 25.617 1.00 56.26 ? 343 THR A CB 1 ATOM 18 O OG1 . THR A 1 2 ? 41.557 12.587 26.108 1.00 57.21 ? 343 THR A OG1 1 ATOM 19 C CG2 . THR A 1 2 ? 40.149 14.425 25.861 1.00 56.51 ? 343 THR A CG2 1 ATOM 20 N N . ARG A 1 3 ? 38.947 9.797 27.062 1.00 49.37 ? 344 ARG A N 1 ATOM 21 C CA . ARG A 1 3 ? 38.661 8.368 26.843 1.00 46.23 ? 344 ARG A CA 1 ATOM 22 C C . ARG A 1 3 ? 37.169 8.121 27.134 1.00 42.45 ? 344 ARG A C 1 ATOM 23 O O . ARG A 1 3 ? 36.663 8.500 28.204 1.00 41.42 ? 344 ARG A O 1 ATOM 24 C CB . ARG A 1 3 ? 39.549 7.426 27.668 1.00 47.08 ? 344 ARG A CB 1 ATOM 25 C CG . ARG A 1 3 ? 39.150 5.949 27.515 1.00 50.97 ? 344 ARG A CG 1 ATOM 26 C CD . ARG A 1 3 ? 40.243 4.891 27.833 1.00 57.62 ? 344 ARG A CD 1 ATOM 27 N NE . ARG A 1 3 ? 40.254 4.450 29.233 1.00 62.08 ? 344 ARG A NE 1 ATOM 28 C CZ . ARG A 1 3 ? 39.184 4.058 29.915 1.00 64.00 ? 344 ARG A CZ 1 ATOM 29 N NH1 . ARG A 1 3 ? 37.993 4.036 29.338 1.00 64.49 ? 344 ARG A NH1 1 ATOM 30 N NH2 . ARG A 1 3 ? 39.305 3.700 31.185 1.00 64.28 ? 344 ARG A NH2 1 ATOM 31 N N . VAL A 1 4 ? 36.483 7.523 26.157 1.00 37.31 ? 345 VAL A N 1 ATOM 32 C CA . VAL A 1 4 ? 35.055 7.248 26.230 1.00 33.31 ? 345 VAL A CA 1 ATOM 33 C C . VAL A 1 4 ? 34.812 5.729 26.249 1.00 30.20 ? 345 VAL A C 1 ATOM 34 O O . VAL A 1 4 ? 35.419 4.995 25.499 1.00 29.09 ? 345 VAL A O 1 ATOM 35 C CB . VAL A 1 4 ? 34.325 7.933 25.040 1.00 33.60 ? 345 VAL A CB 1 ATOM 36 C CG1 . VAL A 1 4 ? 32.979 7.303 24.746 1.00 33.82 ? 345 VAL A CG1 1 ATOM 37 C CG2 . VAL A 1 4 ? 34.177 9.421 25.314 1.00 34.95 ? 345 VAL A CG2 1 ATOM 38 N N . VAL A 1 5 ? 33.972 5.259 27.157 1.00 27.47 ? 346 VAL A N 1 ATOM 39 C CA . VAL A 1 5 ? 33.642 3.836 27.213 1.00 25.53 ? 346 VAL A CA 1 ATOM 40 C C . VAL A 1 5 ? 32.345 3.665 26.446 1.00 23.88 ? 346 VAL A C 1 ATOM 41 O O . VAL A 1 5 ? 31.319 4.214 26.845 1.00 24.06 ? 346 VAL A O 1 ATOM 42 C CB . VAL A 1 5 ? 33.430 3.366 28.672 1.00 25.06 ? 346 VAL A CB 1 ATOM 43 C CG1 . VAL A 1 5 ? 33.152 1.858 28.752 1.00 22.94 ? 346 VAL A CG1 1 ATOM 44 C CG2 . VAL A 1 5 ? 34.637 3.737 29.522 1.00 27.73 ? 346 VAL A CG2 1 ATOM 45 N N . TRP A 1 6 ? 32.390 2.956 25.336 1.00 22.44 ? 347 TRP A N 1 ATOM 46 C CA . TRP A 1 6 ? 31.174 2.726 24.550 1.00 22.99 ? 347 TRP A CA 1 ATOM 47 C C . TRP A 1 6 ? 30.447 1.489 25.131 1.00 23.27 ? 347 TRP A C 1 ATOM 48 O O . TRP A 1 6 ? 31.120 0.571 25.644 1.00 24.12 ? 347 TRP A O 1 ATOM 49 C CB . TRP A 1 6 ? 31.529 2.450 23.093 1.00 22.49 ? 347 TRP A CB 1 ATOM 50 C CG . TRP A 1 6 ? 30.361 2.720 22.209 1.00 23.59 ? 347 TRP A CG 1 ATOM 51 C CD1 . TRP A 1 6 ? 29.473 1.815 21.707 1.00 23.46 ? 347 TRP A CD1 1 ATOM 52 C CD2 . TRP A 1 6 ? 29.921 3.996 21.790 1.00 22.62 ? 347 TRP A CD2 1 ATOM 53 N NE1 . TRP A 1 6 ? 28.520 2.473 20.969 1.00 26.19 ? 347 TRP A NE1 1 ATOM 54 C CE2 . TRP A 1 6 ? 28.783 3.811 20.994 1.00 23.48 ? 347 TRP A CE2 1 ATOM 55 C CE3 . TRP A 1 6 ? 30.405 5.297 21.979 1.00 23.67 ? 347 TRP A CE3 1 ATOM 56 C CZ2 . TRP A 1 6 ? 28.114 4.861 20.392 1.00 25.76 ? 347 TRP A CZ2 1 ATOM 57 C CZ3 . TRP A 1 6 ? 29.730 6.349 21.383 1.00 26.00 ? 347 TRP A CZ3 1 ATOM 58 C CH2 . TRP A 1 6 ? 28.599 6.131 20.610 1.00 26.64 ? 347 TRP A CH2 1 ATOM 59 N N . CYS A 1 7 ? 29.118 1.446 25.105 1.00 22.45 ? 348 CYS A N 1 ATOM 60 C CA . CYS A 1 7 ? 28.437 0.205 25.570 1.00 22.18 ? 348 CYS A CA 1 ATOM 61 C C . CYS A 1 7 ? 27.915 -0.610 24.401 1.00 22.47 ? 348 CYS A C 1 ATOM 62 O O . CYS A 1 7 ? 27.101 -0.132 23.616 1.00 22.22 ? 348 CYS A O 1 ATOM 63 C CB . CYS A 1 7 ? 27.294 0.501 26.571 1.00 22.11 ? 348 CYS A CB 1 ATOM 64 S SG . CYS A 1 7 ? 26.766 -1.005 27.455 1.00 24.33 ? 348 CYS A SG 1 ATOM 65 N N . ALA A 1 8 ? 28.377 -1.848 24.286 1.00 23.27 ? 349 ALA A N 1 ATOM 66 C CA . ALA A 1 8 ? 28.006 -2.726 23.188 1.00 24.19 ? 349 ALA A CA 1 ATOM 67 C C . ALA A 1 8 ? 26.956 -3.708 23.655 1.00 23.92 ? 349 ALA A C 1 ATOM 68 O O . ALA A 1 8 ? 27.039 -4.213 24.777 1.00 23.98 ? 349 ALA A O 1 ATOM 69 C CB . ALA A 1 8 ? 29.260 -3.507 22.678 1.00 25.32 ? 349 ALA A CB 1 ATOM 70 N N . VAL A 1 9 ? 25.981 -3.976 22.782 1.00 22.93 ? 350 VAL A N 1 ATOM 71 C CA . VAL A 1 9 ? 24.896 -4.859 23.116 1.00 22.74 ? 350 VAL A CA 1 ATOM 72 C C . VAL A 1 9 ? 25.108 -6.202 22.444 1.00 23.56 ? 350 VAL A C 1 ATOM 73 O O . VAL A 1 9 ? 24.882 -6.350 21.244 1.00 23.31 ? 350 VAL A O 1 ATOM 74 C CB . VAL A 1 9 ? 23.483 -4.268 22.729 1.00 23.44 ? 350 VAL A CB 1 ATOM 75 C CG1 . VAL A 1 9 ? 22.346 -5.213 23.149 1.00 22.76 ? 350 VAL A CG1 1 ATOM 76 C CG2 . VAL A 1 9 ? 23.273 -2.876 23.422 1.00 22.99 ? 350 VAL A CG2 1 ATOM 77 N N . GLY A 1 10 ? 25.486 -7.194 23.246 1.00 24.17 ? 351 GLY A N 1 ATOM 78 C CA . GLY A 1 10 ? 25.694 -8.546 22.741 1.00 25.08 ? 351 GLY A CA 1 ATOM 79 C C . GLY A 1 10 ? 27.090 -8.742 22.164 1.00 26.32 ? 351 GLY A C 1 ATOM 80 O O . GLY A 1 10 ? 27.829 -7.771 21.988 1.00 25.44 ? 351 GLY A O 1 ATOM 81 N N . PRO A 1 11 ? 27.439 -9.996 21.842 1.00 27.30 ? 352 PRO A N 1 ATOM 82 C CA . PRO A 1 11 ? 28.795 -10.347 21.402 1.00 27.31 ? 352 PRO A CA 1 ATOM 83 C C . PRO A 1 11 ? 29.265 -9.824 20.029 1.00 27.50 ? 352 PRO A C 1 ATOM 84 O O . PRO A 1 11 ? 30.463 -9.636 19.905 1.00 26.72 ? 352 PRO A O 1 ATOM 85 C CB . PRO A 1 11 ? 28.807 -11.895 21.423 1.00 28.55 ? 352 PRO A CB 1 ATOM 86 C CG . PRO A 1 11 ? 27.388 -12.312 21.328 1.00 29.38 ? 352 PRO A CG 1 ATOM 87 C CD . PRO A 1 11 ? 26.545 -11.171 21.926 1.00 28.22 ? 352 PRO A CD 1 ATOM 88 N N . GLU A 1 12 ? 28.383 -9.577 19.067 1.00 25.98 ? 353 GLU A N 1 ATOM 89 C CA . GLU A 1 12 ? 28.805 -9.111 17.778 1.00 26.85 ? 353 GLU A CA 1 ATOM 90 C C . GLU A 1 12 ? 29.137 -7.638 17.837 1.00 25.69 ? 353 GLU A C 1 ATOM 91 O O . GLU A 1 12 ? 30.113 -7.213 17.234 1.00 25.26 ? 353 GLU A O 1 ATOM 92 C CB . GLU A 1 12 ? 27.761 -9.388 16.690 1.00 27.36 ? 353 GLU A CB 1 ATOM 93 C CG . GLU A 1 12 ? 27.608 -10.887 16.394 1.00 31.90 ? 353 GLU A CG 1 ATOM 94 C CD . GLU A 1 12 ? 26.553 -11.175 15.330 1.00 36.38 ? 353 GLU A CD 1 ATOM 95 O OE1 . GLU A 1 12 ? 25.688 -10.318 15.056 1.00 33.89 ? 353 GLU A OE1 1 ATOM 96 O OE2 . GLU A 1 12 ? 26.566 -12.296 14.781 1.00 41.86 ? 353 GLU A OE2 1 ATOM 97 N N . GLU A 1 13 ? 28.352 -6.857 18.578 1.00 24.43 ? 354 GLU A N 1 ATOM 98 C CA . GLU A 1 13 ? 28.725 -5.443 18.734 1.00 23.98 ? 354 GLU A CA 1 ATOM 99 C C . GLU A 1 13 ? 30.028 -5.340 19.511 1.00 24.43 ? 354 GLU A C 1 ATOM 100 O O . GLU A 1 13 ? 30.805 -4.417 19.301 1.00 25.16 ? 354 GLU A O 1 ATOM 101 C CB . GLU A 1 13 ? 27.634 -4.657 19.468 1.00 22.77 ? 354 GLU A CB 1 ATOM 102 C CG . GLU A 1 13 ? 26.395 -4.456 18.610 1.00 24.18 ? 354 GLU A CG 1 ATOM 103 C CD . GLU A 1 13 ? 25.551 -3.267 19.036 1.00 25.30 ? 354 GLU A CD 1 ATOM 104 O OE1 . GLU A 1 13 ? 25.660 -2.812 20.203 1.00 26.58 ? 354 GLU A OE1 1 ATOM 105 O OE2 . GLU A 1 13 ? 24.775 -2.798 18.196 1.00 23.58 ? 354 GLU A OE2 1 ATOM 106 N N . GLN A 1 14 ? 30.236 -6.258 20.457 1.00 25.99 ? 355 GLN A N 1 ATOM 107 C CA . GLN A 1 14 ? 31.453 -6.237 21.284 1.00 26.41 ? 355 GLN A CA 1 ATOM 108 C C . GLN A 1 14 ? 32.670 -6.379 20.372 1.00 26.35 ? 355 GLN A C 1 ATOM 109 O O . GLN A 1 14 ? 33.610 -5.612 20.444 1.00 25.72 ? 355 GLN A O 1 ATOM 110 C CB . GLN A 1 14 ? 31.435 -7.321 22.358 1.00 26.00 ? 355 GLN A CB 1 ATOM 111 C CG . GLN A 1 14 ? 32.693 -7.359 23.232 1.00 30.93 ? 355 GLN A CG 1 ATOM 112 C CD . GLN A 1 14 ? 32.714 -8.509 24.233 1.00 40.52 ? 355 GLN A CD 1 ATOM 113 O OE1 . GLN A 1 14 ? 32.515 -9.676 23.870 1.00 44.73 ? 355 GLN A OE1 1 ATOM 114 N NE2 . GLN A 1 14 ? 32.963 -8.188 25.497 1.00 45.18 ? 355 GLN A NE2 1 ATOM 115 N N . LYS A 1 15 ? 32.606 -7.352 19.479 1.00 26.80 ? 356 LYS A N 1 ATOM 116 C CA . LYS A 1 15 ? 33.655 -7.571 18.511 1.00 28.40 ? 356 LYS A CA 1 ATOM 117 C C . LYS A 1 15 ? 33.936 -6.325 17.676 1.00 27.63 ? 356 LYS A C 1 ATOM 118 O O . LYS A 1 15 ? 35.093 -5.960 17.508 1.00 28.42 ? 356 LYS A O 1 ATOM 119 C CB . LYS A 1 15 ? 33.240 -8.731 17.624 1.00 29.45 ? 356 LYS A CB 1 ATOM 120 C CG . LYS A 1 15 ? 34.253 -9.177 16.568 1.00 36.18 ? 356 LYS A CG 1 ATOM 121 C CD . LYS A 1 15 ? 34.020 -10.698 16.332 1.00 43.78 ? 356 LYS A CD 1 ATOM 122 C CE . LYS A 1 15 ? 34.660 -11.221 15.042 1.00 49.37 ? 356 LYS A CE 1 ATOM 123 N NZ . LYS A 1 15 ? 34.270 -12.667 14.855 1.00 52.25 ? 356 LYS A NZ 1 ATOM 124 N N . LYS A 1 16 ? 32.901 -5.662 17.156 1.00 26.62 ? 357 LYS A N 1 ATOM 125 C CA . LYS A 1 16 ? 33.115 -4.414 16.394 1.00 26.66 ? 357 LYS A CA 1 ATOM 126 C C . LYS A 1 16 ? 33.709 -3.321 17.265 1.00 26.00 ? 357 LYS A C 1 ATOM 127 O O . LYS A 1 16 ? 34.588 -2.576 16.846 1.00 26.28 ? 357 LYS A O 1 ATOM 128 C CB . LYS A 1 16 ? 31.826 -3.887 15.743 1.00 26.48 ? 357 LYS A CB 1 ATOM 129 C CG . LYS A 1 16 ? 32.059 -2.723 14.751 1.00 25.83 ? 357 LYS A CG 1 ATOM 130 C CD . LYS A 1 16 ? 30.791 -2.310 14.038 1.00 23.39 ? 357 LYS A CD 1 ATOM 131 C CE . LYS A 1 16 ? 30.852 -0.899 13.442 1.00 22.92 ? 357 LYS A CE 1 ATOM 132 N NZ . LYS A 1 16 ? 29.695 -0.663 12.464 1.00 27.66 ? 357 LYS A NZ 1 ATOM 133 N N . CYS A 1 17 ? 33.209 -3.201 18.476 1.00 26.14 ? 358 CYS A N 1 ATOM 134 C CA . CYS A 1 17 ? 33.726 -2.186 19.382 1.00 26.84 ? 358 CYS A CA 1 ATOM 135 C C . CYS A 1 17 ? 35.209 -2.414 19.646 1.00 27.45 ? 358 CYS A C 1 ATOM 136 O O . CYS A 1 17 ? 35.990 -1.478 19.670 1.00 27.18 ? 358 CYS A O 1 ATOM 137 C CB . CYS A 1 17 ? 32.936 -2.189 20.705 1.00 26.88 ? 358 CYS A CB 1 ATOM 138 S SG . CYS A 1 17 ? 33.362 -0.824 21.836 1.00 27.64 ? 358 CYS A SG 1 ATOM 139 N N . GLN A 1 18 ? 35.590 -3.662 19.906 1.00 29.04 ? 359 GLN A N 1 ATOM 140 C CA . GLN A 1 18 ? 37.016 -3.981 20.132 1.00 31.04 ? 359 GLN A CA 1 ATOM 141 C C . GLN A 1 18 ? 37.927 -3.513 18.998 1.00 31.01 ? 359 GLN A C 1 ATOM 142 O O . GLN A 1 18 ? 39.005 -2.965 19.248 1.00 30.79 ? 359 GLN A O 1 ATOM 143 C CB . GLN A 1 18 ? 37.213 -5.503 20.389 1.00 31.02 ? 359 GLN A CB 1 ATOM 144 C CG . GLN A 1 18 ? 36.696 -5.936 21.722 1.00 35.76 ? 359 GLN A CG 1 ATOM 145 C CD . GLN A 1 18 ? 36.685 -7.460 21.939 1.00 42.01 ? 359 GLN A CD 1 ATOM 146 O OE1 . GLN A 1 18 ? 36.818 -8.249 20.989 1.00 48.65 ? 359 GLN A OE1 1 ATOM 147 N NE2 . GLN A 1 18 ? 36.491 -7.869 23.190 1.00 42.50 ? 359 GLN A NE2 1 ATOM 148 N N . GLN A 1 19 ? 37.503 -3.745 17.757 1.00 31.50 ? 360 GLN A N 1 ATOM 149 C CA . GLN A 1 19 ? 38.250 -3.281 16.596 1.00 33.14 ? 360 GLN A CA 1 ATOM 150 C C . GLN A 1 19 ? 38.377 -1.776 16.616 1.00 33.06 ? 360 GLN A C 1 ATOM 151 O O . GLN A 1 19 ? 39.453 -1.231 16.379 1.00 32.54 ? 360 GLN A O 1 ATOM 152 C CB . GLN A 1 19 ? 37.556 -3.657 15.287 1.00 33.32 ? 360 GLN A CB 1 ATOM 153 C CG . GLN A 1 19 ? 37.549 -5.142 14.946 1.00 39.38 ? 360 GLN A CG 1 ATOM 154 C CD . GLN A 1 19 ? 36.825 -5.406 13.610 1.00 47.08 ? 360 GLN A CD 1 ATOM 155 O OE1 . GLN A 1 19 ? 37.258 -4.922 12.550 1.00 50.21 ? 360 GLN A OE1 1 ATOM 156 N NE2 . GLN A 1 19 ? 35.708 -6.132 13.668 1.00 48.56 ? 360 GLN A NE2 1 ATOM 157 N N . TRP A 1 20 ? 37.252 -1.099 16.855 1.00 33.37 ? 361 TRP A N 1 ATOM 158 C CA . TRP A 1 20 ? 37.246 0.354 16.913 1.00 32.75 ? 361 TRP A CA 1 ATOM 159 C C . TRP A 1 20 ? 38.200 0.792 18.011 1.00 32.70 ? 361 TRP A C 1 ATOM 160 O O . TRP A 1 20 ? 38.930 1.768 17.853 1.00 32.59 ? 361 TRP A O 1 ATOM 161 C CB . TRP A 1 20 ? 35.825 0.847 17.192 1.00 32.26 ? 361 TRP A CB 1 ATOM 162 C CG . TRP A 1 20 ? 35.617 2.336 17.316 1.00 31.24 ? 361 TRP A CG 1 ATOM 163 C CD1 . TRP A 1 20 ? 36.456 3.329 16.922 1.00 30.64 ? 361 TRP A CD1 1 ATOM 164 C CD2 . TRP A 1 20 ? 34.459 2.985 17.857 1.00 29.25 ? 361 TRP A CD2 1 ATOM 165 N NE1 . TRP A 1 20 ? 35.909 4.559 17.205 1.00 29.40 ? 361 TRP A NE1 1 ATOM 166 C CE2 . TRP A 1 20 ? 34.679 4.374 17.779 1.00 28.75 ? 361 TRP A CE2 1 ATOM 167 C CE3 . TRP A 1 20 ? 33.261 2.525 18.427 1.00 28.65 ? 361 TRP A CE3 1 ATOM 168 C CZ2 . TRP A 1 20 ? 33.750 5.314 18.242 1.00 29.56 ? 361 TRP A CZ2 1 ATOM 169 C CZ3 . TRP A 1 20 ? 32.342 3.463 18.917 1.00 29.62 ? 361 TRP A CZ3 1 ATOM 170 C CH2 . TRP A 1 20 ? 32.590 4.841 18.800 1.00 30.78 ? 361 TRP A CH2 1 ATOM 171 N N . SER A 1 21 ? 38.171 0.081 19.131 1.00 32.63 ? 362 SER A N 1 ATOM 172 C CA . SER A 1 21 ? 39.008 0.407 20.276 1.00 33.62 ? 362 SER A CA 1 ATOM 173 C C . SER A 1 21 ? 40.486 0.356 19.911 1.00 34.64 ? 362 SER A C 1 ATOM 174 O O . SER A 1 21 ? 41.255 1.295 20.170 1.00 33.96 ? 362 SER A O 1 ATOM 175 C CB . SER A 1 21 ? 38.738 -0.587 21.418 1.00 33.69 ? 362 SER A CB 1 ATOM 176 O OG . SER A 1 21 ? 39.486 -0.251 22.563 1.00 31.79 ? 362 SER A OG 1 ATOM 177 N N . GLN A 1 22 ? 40.863 -0.763 19.299 1.00 35.94 ? 363 GLN A N 1 ATOM 178 C CA . GLN A 1 22 ? 42.219 -0.994 18.833 1.00 38.26 ? 363 GLN A CA 1 ATOM 179 C C . GLN A 1 22 ? 42.670 0.112 17.889 1.00 38.09 ? 363 GLN A C 1 ATOM 180 O O . GLN A 1 22 ? 43.736 0.698 18.080 1.00 38.19 ? 363 GLN A O 1 ATOM 181 C CB . GLN A 1 22 ? 42.286 -2.347 18.131 1.00 39.10 ? 363 GLN A CB 1 ATOM 182 C CG . GLN A 1 22 ? 43.645 -2.727 17.595 1.00 45.86 ? 363 GLN A CG 1 ATOM 183 C CD . GLN A 1 22 ? 43.800 -4.236 17.485 1.00 52.81 ? 363 GLN A CD 1 ATOM 184 O OE1 . GLN A 1 22 ? 42.970 -4.993 18.019 1.00 56.08 ? 363 GLN A OE1 1 ATOM 185 N NE2 . GLN A 1 22 ? 44.858 -4.681 16.798 1.00 55.29 ? 363 GLN A NE2 1 ATOM 186 N N . GLN A 1 23 ? 41.840 0.411 16.892 1.00 37.54 ? 364 GLN A N 1 ATOM 187 C CA . GLN A 1 23 ? 42.160 1.414 15.893 1.00 38.07 ? 364 GLN A CA 1 ATOM 188 C C . GLN A 1 23 ? 42.208 2.847 16.412 1.00 37.48 ? 364 GLN A C 1 ATOM 189 O O . GLN A 1 23 ? 42.910 3.667 15.845 1.00 37.66 ? 364 GLN A O 1 ATOM 190 C CB . GLN A 1 23 ? 41.202 1.330 14.693 1.00 38.19 ? 364 GLN A CB 1 ATOM 191 C CG . GLN A 1 23 ? 41.288 0.002 13.918 1.00 41.77 ? 364 GLN A CG 1 ATOM 192 C CD . GLN A 1 23 ? 42.677 -0.243 13.313 1.00 45.47 ? 364 GLN A CD 1 ATOM 193 O OE1 . GLN A 1 23 ? 43.140 0.546 12.502 1.00 48.52 ? 364 GLN A OE1 1 ATOM 194 N NE2 . GLN A 1 23 ? 43.341 -1.311 13.733 1.00 46.33 ? 364 GLN A NE2 1 ATOM 195 N N . SER A 1 24 ? 41.452 3.147 17.466 1.00 37.19 ? 365 SER A N 1 ATOM 196 C CA . SER A 1 24 ? 41.396 4.476 18.053 1.00 36.71 ? 365 SER A CA 1 ATOM 197 C C . SER A 1 24 ? 42.542 4.726 19.053 1.00 37.51 ? 365 SER A C 1 ATOM 198 O O . SER A 1 24 ? 42.623 5.793 19.671 1.00 37.29 ? 365 SER A O 1 ATOM 199 C CB . SER A 1 24 ? 40.071 4.651 18.792 1.00 36.46 ? 365 SER A CB 1 ATOM 200 O OG . SER A 1 24 ? 40.073 3.905 20.015 1.00 34.47 ? 365 SER A OG 1 ATOM 201 N N . GLY A 1 25 ? 43.392 3.730 19.242 1.00 38.29 ? 366 GLY A N 1 ATOM 202 C CA . GLY A 1 25 ? 44.494 3.856 20.181 1.00 39.92 ? 366 GLY A CA 1 ATOM 203 C C . GLY A 1 25 ? 43.963 3.967 21.592 1.00 40.67 ? 366 GLY A C 1 ATOM 204 O O . GLY A 1 25 ? 44.550 4.626 22.461 1.00 40.74 ? 366 GLY A O 1 ATOM 205 N N . GLN A 1 26 ? 42.829 3.318 21.813 1.00 40.71 ? 367 GLN A N 1 ATOM 206 C CA . GLN A 1 26 ? 42.181 3.313 23.120 1.00 41.14 ? 367 GLN A CA 1 ATOM 207 C C . GLN A 1 26 ? 41.592 4.638 23.520 1.00 39.93 ? 367 GLN A C 1 ATOM 208 O O . GLN A 1 26 ? 41.321 4.868 24.691 1.00 40.52 ? 367 GLN A O 1 ATOM 209 C CB . GLN A 1 26 ? 43.108 2.770 24.210 1.00 42.11 ? 367 GLN A CB 1 ATOM 210 C CG . GLN A 1 26 ? 43.571 1.336 23.923 1.00 46.49 ? 367 GLN A CG 1 ATOM 211 C CD . GLN A 1 26 ? 43.611 0.486 25.167 1.00 53.80 ? 367 GLN A CD 1 ATOM 212 O OE1 . GLN A 1 26 ? 44.249 0.855 26.166 1.00 56.10 ? 367 GLN A OE1 1 ATOM 213 N NE2 . GLN A 1 26 ? 42.908 -0.652 25.130 1.00 55.92 ? 367 GLN A NE2 1 ATOM 214 N N . ASN A 1 27 ? 41.370 5.519 22.562 1.00 38.40 ? 368 ASN A N 1 ATOM 215 C CA . ASN A 1 27 ? 40.592 6.704 22.889 1.00 37.14 ? 368 ASN A CA 1 ATOM 216 C C . ASN A 1 27 ? 39.165 6.281 23.209 1.00 35.66 ? 368 ASN A C 1 ATOM 217 O O . ASN A 1 27 ? 38.450 6.948 23.958 1.00 35.32 ? 368 ASN A O 1 ATOM 218 C CB . ASN A 1 27 ? 40.629 7.719 21.758 1.00 37.66 ? 368 ASN A CB 1 ATOM 219 C CG . ASN A 1 27 ? 41.960 8.492 21.720 1.00 42.37 ? 368 ASN A CG 1 ATOM 220 O OD1 . ASN A 1 27 ? 42.707 8.513 22.710 1.00 42.34 ? 368 ASN A OD1 1 ATOM 221 N ND2 . ASN A 1 27 ? 42.270 9.095 20.563 1.00 48.12 ? 368 ASN A ND2 1 ATOM 222 N N . VAL A 1 28 ? 38.748 5.179 22.592 1.00 33.33 ? 369 VAL A N 1 ATOM 223 C CA . VAL A 1 28 ? 37.482 4.577 22.882 1.00 32.38 ? 369 VAL A CA 1 ATOM 224 C C . VAL A 1 28 ? 37.736 3.187 23.428 1.00 31.28 ? 369 VAL A C 1 ATOM 225 O O . VAL A 1 28 ? 38.602 2.443 22.960 1.00 30.74 ? 369 VAL A O 1 ATOM 226 C CB . VAL A 1 28 ? 36.585 4.484 21.634 1.00 32.63 ? 369 VAL A CB 1 ATOM 227 C CG1 . VAL A 1 28 ? 35.336 3.677 21.957 1.00 33.62 ? 369 VAL A CG1 1 ATOM 228 C CG2 . VAL A 1 28 ? 36.212 5.902 21.126 1.00 33.01 ? 369 VAL A CG2 1 ATOM 229 N N . THR A 1 29 ? 36.985 2.833 24.444 1.00 30.90 ? 370 THR A N 1 ATOM 230 C CA . THR A 1 29 ? 37.092 1.496 24.991 1.00 30.69 ? 370 THR A CA 1 ATOM 231 C C . THR A 1 29 ? 35.661 0.923 25.103 1.00 29.50 ? 370 THR A C 1 ATOM 232 O O . THR A 1 29 ? 34.704 1.644 24.876 1.00 28.25 ? 370 THR A O 1 ATOM 233 C CB . THR A 1 29 ? 37.882 1.592 26.306 1.00 31.17 ? 370 THR A CB 1 ATOM 234 O OG1 . THR A 1 29 ? 38.227 0.293 26.757 1.00 37.71 ? 370 THR A OG1 1 ATOM 235 C CG2 . THR A 1 29 ? 37.033 2.134 27.366 1.00 30.05 ? 370 THR A CG2 1 ATOM 236 N N . CYS A 1 30 ? 35.515 -0.333 25.499 1.00 28.77 ? 371 CYS A N 1 ATOM 237 C CA . CYS A 1 30 ? 34.230 -1.012 25.405 1.00 28.64 ? 371 CYS A CA 1 ATOM 238 C C . CYS A 1 30 ? 33.764 -1.702 26.673 1.00 28.85 ? 371 CYS A C 1 ATOM 239 O O . CYS A 1 30 ? 34.550 -2.323 27.390 1.00 29.97 ? 371 CYS A O 1 ATOM 240 C CB . CYS A 1 30 ? 34.354 -2.126 24.358 1.00 28.68 ? 371 CYS A CB 1 ATOM 241 S SG . CYS A 1 30 ? 34.967 -1.520 22.825 1.00 28.65 ? 371 CYS A SG 1 ATOM 242 N N . ALA A 1 31 ? 32.479 -1.592 26.932 1.00 26.99 ? 372 ALA A N 1 ATOM 243 C CA . ALA A 1 31 ? 31.840 -2.319 27.998 1.00 27.66 ? 372 ALA A CA 1 ATOM 244 C C . ALA A 1 31 ? 30.771 -3.096 27.217 1.00 27.65 ? 372 ALA A C 1 ATOM 245 O O . ALA A 1 31 ? 30.300 -2.590 26.195 1.00 27.58 ? 372 ALA A O 1 ATOM 246 C CB . ALA A 1 31 ? 31.201 -1.339 28.979 1.00 25.95 ? 372 ALA A CB 1 ATOM 247 N N . THR A 1 32 ? 30.368 -4.270 27.676 1.00 27.32 ? 373 THR A N 1 ATOM 248 C CA . THR A 1 32 ? 29.346 -5.037 26.963 1.00 27.97 ? 373 THR A CA 1 ATOM 249 C C . THR A 1 32 ? 28.226 -5.493 27.896 1.00 27.98 ? 373 THR A C 1 ATOM 250 O O . THR A 1 32 ? 28.472 -5.833 29.053 1.00 28.28 ? 373 THR A O 1 ATOM 251 C CB . THR A 1 32 ? 29.962 -6.273 26.273 1.00 28.53 ? 373 THR A CB 1 ATOM 252 O OG1 . THR A 1 32 ? 31.055 -5.866 25.463 1.00 31.64 ? 373 THR A OG1 1 ATOM 253 C CG2 . THR A 1 32 ? 29.005 -6.832 25.233 1.00 28.95 ? 373 THR A CG2 1 ATOM 254 N N . ALA A 1 33 ? 26.994 -5.473 27.395 1.00 26.24 ? 374 ALA A N 1 ATOM 255 C CA . ALA A 1 33 ? 25.865 -5.959 28.168 1.00 25.44 ? 374 ALA A CA 1 ATOM 256 C C . ALA A 1 33 ? 24.994 -6.798 27.253 1.00 24.87 ? 374 ALA A C 1 ATOM 257 O O . ALA A 1 33 ? 25.093 -6.721 26.026 1.00 24.55 ? 374 ALA A O 1 ATOM 258 C CB . ALA A 1 33 ? 25.073 -4.837 28.788 1.00 25.17 ? 374 ALA A CB 1 ATOM 259 N N . SER A 1 34 ? 24.123 -7.591 27.847 1.00 25.28 ? 375 SER A N 1 ATOM 260 C CA . SER A 1 34 ? 23.289 -8.468 27.044 1.00 25.61 ? 375 SER A CA 1 ATOM 261 C C . SER A 1 34 ? 22.091 -7.757 26.430 1.00 25.04 ? 375 SER A C 1 ATOM 262 O O . SER A 1 34 ? 21.529 -8.240 25.459 1.00 25.29 ? 375 SER A O 1 ATOM 263 C CB . SER A 1 34 ? 22.819 -9.676 27.875 1.00 25.55 ? 375 SER A CB 1 ATOM 264 O OG . SER A 1 34 ? 23.931 -10.567 28.029 1.00 30.84 ? 375 SER A OG 1 ATOM 265 N N . THR A 1 35 ? 21.669 -6.638 27.003 1.00 24.19 ? 376 THR A N 1 ATOM 266 C CA . THR A 1 35 ? 20.515 -5.916 26.439 1.00 23.51 ? 376 THR A CA 1 ATOM 267 C C . THR A 1 35 ? 20.764 -4.421 26.488 1.00 23.85 ? 376 THR A C 1 ATOM 268 O O . THR A 1 35 ? 21.666 -3.943 27.204 1.00 21.89 ? 376 THR A O 1 ATOM 269 C CB . THR A 1 35 ? 19.209 -6.198 27.228 1.00 24.77 ? 376 THR A CB 1 ATOM 270 O OG1 . THR A 1 35 ? 19.307 -5.554 28.511 1.00 25.14 ? 376 THR A OG1 1 ATOM 271 C CG2 . THR A 1 35 ? 19.039 -7.746 27.596 1.00 21.54 ? 376 THR A CG2 1 ATOM 272 N N . THR A 1 36 ? 19.981 -3.694 25.691 1.00 21.83 ? 377 THR A N 1 ATOM 273 C CA . THR A 1 36 ? 20.092 -2.264 25.655 1.00 22.86 ? 377 THR A CA 1 ATOM 274 C C . THR A 1 36 ? 19.756 -1.683 27.022 1.00 23.02 ? 377 THR A C 1 ATOM 275 O O . THR A 1 36 ? 20.421 -0.741 27.466 1.00 22.17 ? 377 THR A O 1 ATOM 276 C CB . THR A 1 36 ? 19.165 -1.700 24.567 1.00 22.03 ? 377 THR A CB 1 ATOM 277 O OG1 . THR A 1 36 ? 19.585 -2.233 23.307 1.00 22.19 ? 377 THR A OG1 1 ATOM 278 C CG2 . THR A 1 36 ? 19.312 -0.185 24.439 1.00 21.82 ? 377 THR A CG2 1 ATOM 279 N N . ASP A 1 37 ? 18.741 -2.239 27.686 1.00 22.53 ? 378 ASP A N 1 ATOM 280 C CA . ASP A 1 37 ? 18.343 -1.735 29.007 1.00 23.78 ? 378 ASP A CA 1 ATOM 281 C C . ASP A 1 37 ? 19.507 -1.864 29.982 1.00 23.26 ? 378 ASP A C 1 ATOM 282 O O . ASP A 1 37 ? 19.755 -0.962 30.789 1.00 22.02 ? 378 ASP A O 1 ATOM 283 C CB . ASP A 1 37 ? 17.151 -2.536 29.549 1.00 25.74 ? 378 ASP A CB 1 ATOM 284 C CG . ASP A 1 37 ? 15.820 -2.041 29.017 1.00 30.43 ? 378 ASP A CG 1 ATOM 285 O OD1 . ASP A 1 37 ? 15.803 -0.987 28.352 1.00 35.54 ? 378 ASP A OD1 1 ATOM 286 O OD2 . ASP A 1 37 ? 14.728 -2.596 29.232 1.00 37.90 ? 378 ASP A OD2 1 ATOM 287 N N . ASP A 1 38 ? 20.213 -2.991 29.928 1.00 20.90 ? 379 ASP A N 1 ATOM 288 C CA . ASP A 1 38 ? 21.367 -3.154 30.794 1.00 22.71 ? 379 ASP A CA 1 ATOM 289 C C . ASP A 1 38 ? 22.460 -2.154 30.467 1.00 22.79 ? 379 ASP A C 1 ATOM 290 O O . ASP A 1 38 ? 23.158 -1.721 31.365 1.00 22.75 ? 379 ASP A O 1 ATOM 291 C CB . ASP A 1 38 ? 21.946 -4.547 30.680 1.00 22.64 ? 379 ASP A CB 1 ATOM 292 C CG . ASP A 1 38 ? 21.213 -5.573 31.543 1.00 26.38 ? 379 ASP A CG 1 ATOM 293 O OD1 . ASP A 1 38 ? 20.181 -5.288 32.193 1.00 27.86 ? 379 ASP A OD1 1 ATOM 294 O OD2 . ASP A 1 38 ? 21.676 -6.700 31.658 1.00 34.66 ? 379 ASP A OD2 1 ATOM 295 N N . CYS A 1 39 ? 22.659 -1.854 29.186 1.00 21.01 ? 380 CYS A N 1 ATOM 296 C CA . CYS A 1 39 ? 23.645 -0.840 28.811 1.00 21.88 ? 380 CYS A CA 1 ATOM 297 C C . CYS A 1 39 ? 23.285 0.524 29.406 1.00 22.47 ? 380 CYS A C 1 ATOM 298 O O . CYS A 1 39 ? 24.158 1.293 29.820 1.00 23.76 ? 380 CYS A O 1 ATOM 299 C CB . CYS A 1 39 ? 23.781 -0.686 27.273 1.00 21.79 ? 380 CYS A CB 1 ATOM 300 S SG . CYS A 1 39 ? 25.123 -1.695 26.574 1.00 20.21 ? 380 CYS A SG 1 ATOM 301 N N . ILE A 1 40 ? 21.991 0.821 29.435 1.00 21.80 ? 381 ILE A N 1 ATOM 302 C CA . ILE A 1 40 ? 21.510 2.093 29.978 1.00 22.92 ? 381 ILE A CA 1 ATOM 303 C C . ILE A 1 40 ? 21.872 2.221 31.462 1.00 22.85 ? 381 ILE A C 1 ATOM 304 O O . ILE A 1 40 ? 22.307 3.255 31.959 1.00 23.28 ? 381 ILE A O 1 ATOM 305 C CB . ILE A 1 40 ? 20.006 2.219 29.742 1.00 23.40 ? 381 ILE A CB 1 ATOM 306 C CG1 . ILE A 1 40 ? 19.763 2.455 28.251 1.00 22.77 ? 381 ILE A CG1 1 ATOM 307 C CG2 . ILE A 1 40 ? 19.473 3.505 30.456 1.00 25.53 ? 381 ILE A CG2 1 ATOM 308 C CD1 . ILE A 1 40 ? 18.307 2.440 27.836 1.00 21.26 ? 381 ILE A CD1 1 ATOM 309 N N . VAL A 1 41 ? 21.742 1.101 32.153 1.00 21.83 ? 382 VAL A N 1 ATOM 310 C CA . VAL A 1 41 ? 22.121 1.030 33.544 1.00 22.00 ? 382 VAL A CA 1 ATOM 311 C C . VAL A 1 41 ? 23.628 1.213 33.728 1.00 21.33 ? 382 VAL A C 1 ATOM 312 O O . VAL A 1 41 ? 24.035 1.900 34.654 1.00 21.36 ? 382 VAL A O 1 ATOM 313 C CB . VAL A 1 41 ? 21.619 -0.301 34.227 1.00 21.76 ? 382 VAL A CB 1 ATOM 314 C CG1 . VAL A 1 41 ? 22.263 -0.456 35.584 1.00 23.77 ? 382 VAL A CG1 1 ATOM 315 C CG2 . VAL A 1 41 ? 20.094 -0.289 34.345 1.00 22.80 ? 382 VAL A CG2 1 ATOM 316 N N . LEU A 1 42 ? 24.454 0.595 32.878 1.00 20.66 ? 383 LEU A N 1 ATOM 317 C CA . LEU A 1 42 ? 25.895 0.859 32.965 1.00 21.27 ? 383 LEU A CA 1 ATOM 318 C C . LEU A 1 42 ? 26.204 2.363 32.840 1.00 21.29 ? 383 LEU A C 1 ATOM 319 O O . LEU A 1 42 ? 27.000 2.946 33.596 1.00 20.95 ? 383 LEU A O 1 ATOM 320 C CB . LEU A 1 42 ? 26.648 0.057 31.903 1.00 20.86 ? 383 LEU A CB 1 ATOM 321 C CG . LEU A 1 42 ? 26.681 -1.453 32.168 1.00 21.71 ? 383 LEU A CG 1 ATOM 322 C CD1 . LEU A 1 42 ? 27.420 -2.160 31.061 1.00 23.16 ? 383 LEU A CD1 1 ATOM 323 C CD2 . LEU A 1 42 ? 27.338 -1.737 33.520 1.00 24.92 ? 383 LEU A CD2 1 ATOM 324 N N . VAL A 1 43 ? 25.522 2.993 31.904 1.00 21.12 ? 384 VAL A N 1 ATOM 325 C CA . VAL A 1 43 ? 25.717 4.414 31.695 1.00 21.29 ? 384 VAL A CA 1 ATOM 326 C C . VAL A 1 43 ? 25.301 5.223 32.934 1.00 21.56 ? 384 VAL A C 1 ATOM 327 O O . VAL A 1 43 ? 26.050 6.065 33.401 1.00 22.35 ? 384 VAL A O 1 ATOM 328 C CB . VAL A 1 43 ? 24.997 4.904 30.441 1.00 21.34 ? 384 VAL A CB 1 ATOM 329 C CG1 . VAL A 1 43 ? 25.066 6.530 30.345 1.00 17.31 ? 384 VAL A CG1 1 ATOM 330 C CG2 . VAL A 1 43 ? 25.589 4.262 29.210 1.00 21.27 ? 384 VAL A CG2 1 ATOM 331 N N . LEU A 1 44 ? 24.157 4.902 33.511 1.00 22.47 ? 385 LEU A N 1 ATOM 332 C CA . LEU A 1 44 ? 23.708 5.575 34.742 1.00 23.46 ? 385 LEU A CA 1 ATOM 333 C C . LEU A 1 44 ? 24.709 5.401 35.875 1.00 23.76 ? 385 LEU A C 1 ATOM 334 O O . LEU A 1 44 ? 24.954 6.338 36.648 1.00 22.41 ? 385 LEU A O 1 ATOM 335 C CB . LEU A 1 44 ? 22.348 5.046 35.212 1.00 22.46 ? 385 LEU A CB 1 ATOM 336 C CG . LEU A 1 44 ? 21.201 5.545 34.353 1.00 28.50 ? 385 LEU A CG 1 ATOM 337 C CD1 . LEU A 1 44 ? 19.920 4.739 34.631 1.00 31.37 ? 385 LEU A CD1 1 ATOM 338 C CD2 . LEU A 1 44 ? 20.987 7.065 34.582 1.00 30.01 ? 385 LEU A CD2 1 ATOM 339 N N . LYS A 1 45 ? 25.293 4.201 35.990 1.00 23.14 ? 386 LYS A N 1 ATOM 340 C CA . LYS A 1 45 ? 26.252 3.967 37.065 1.00 22.96 ? 386 LYS A CA 1 ATOM 341 C C . LYS A 1 45 ? 27.579 4.656 36.802 1.00 23.49 ? 386 LYS A C 1 ATOM 342 O O . LYS A 1 45 ? 28.421 4.762 37.701 1.00 24.48 ? 386 LYS A O 1 ATOM 343 C CB . LYS A 1 45 ? 26.511 2.466 37.261 1.00 22.29 ? 386 LYS A CB 1 ATOM 344 C CG . LYS A 1 45 ? 25.314 1.698 37.769 1.00 23.04 ? 386 LYS A CG 1 ATOM 345 C CD . LYS A 1 45 ? 25.761 0.295 38.306 1.00 24.32 ? 386 LYS A CD 1 ATOM 346 C CE . LYS A 1 45 ? 26.042 -0.661 37.152 1.00 22.96 ? 386 LYS A CE 1 ATOM 347 N NZ . LYS A 1 45 ? 26.542 -2.012 37.679 1.00 27.14 ? 386 LYS A NZ 1 ATOM 348 N N . GLY A 1 46 ? 27.799 5.075 35.563 1.00 23.74 ? 387 GLY A N 1 ATOM 349 C CA . GLY A 1 46 ? 29.039 5.724 35.205 1.00 24.31 ? 387 GLY A CA 1 ATOM 350 C C . GLY A 1 46 ? 30.094 4.728 34.774 1.00 25.65 ? 387 GLY A C 1 ATOM 351 O O . GLY A 1 46 ? 31.252 5.107 34.606 1.00 26.23 ? 387 GLY A O 1 ATOM 352 N N . GLU A 1 47 ? 29.706 3.461 34.588 1.00 24.57 ? 388 GLU A N 1 ATOM 353 C CA . GLU A 1 47 ? 30.649 2.406 34.158 1.00 24.04 ? 388 GLU A CA 1 ATOM 354 C C . GLU A 1 47 ? 30.791 2.369 32.646 1.00 24.21 ? 388 GLU A C 1 ATOM 355 O O . GLU A 1 47 ? 31.727 1.771 32.111 1.00 25.25 ? 388 GLU A O 1 ATOM 356 C CB . GLU A 1 47 ? 30.225 1.047 34.748 1.00 23.93 ? 388 GLU A CB 1 ATOM 357 C CG . GLU A 1 47 ? 30.401 1.042 36.267 1.00 25.52 ? 388 GLU A CG 1 ATOM 358 C CD . GLU A 1 47 ? 29.714 -0.137 36.957 1.00 28.72 ? 388 GLU A CD 1 ATOM 359 O OE1 . GLU A 1 47 ? 29.339 0.013 38.131 1.00 29.17 ? 388 GLU A OE1 1 ATOM 360 O OE2 . GLU A 1 47 ? 29.537 -1.187 36.321 1.00 27.27 ? 388 GLU A OE2 1 ATOM 361 N N . ALA A 1 48 ? 29.844 2.992 31.943 1.00 21.95 ? 389 ALA A N 1 ATOM 362 C CA . ALA A 1 48 ? 30.003 3.240 30.513 1.00 21.76 ? 389 ALA A CA 1 ATOM 363 C C . ALA A 1 48 ? 29.618 4.731 30.269 1.00 22.29 ? 389 ALA A C 1 ATOM 364 O O . ALA A 1 48 ? 28.979 5.328 31.128 1.00 21.60 ? 389 ALA A O 1 ATOM 365 C CB . ALA A 1 48 ? 29.157 2.281 29.680 1.00 21.58 ? 389 ALA A CB 1 ATOM 366 N N . ASP A 1 49 ? 30.000 5.288 29.120 1.00 21.22 ? 390 ASP A N 1 ATOM 367 C CA . ASP A 1 49 ? 29.660 6.677 28.816 1.00 22.07 ? 390 ASP A CA 1 ATOM 368 C C . ASP A 1 49 ? 28.494 6.881 27.856 1.00 22.13 ? 390 ASP A C 1 ATOM 369 O O . ASP A 1 49 ? 27.721 7.851 28.008 1.00 22.26 ? 390 ASP A O 1 ATOM 370 C CB . ASP A 1 49 ? 30.857 7.375 28.206 1.00 21.90 ? 390 ASP A CB 1 ATOM 371 C CG . ASP A 1 49 ? 31.983 7.566 29.215 1.00 25.21 ? 390 ASP A CG 1 ATOM 372 O OD1 . ASP A 1 49 ? 31.718 8.086 30.319 1.00 26.64 ? 390 ASP A OD1 1 ATOM 373 O OD2 . ASP A 1 49 ? 33.143 7.194 28.985 1.00 28.25 ? 390 ASP A OD2 1 ATOM 374 N N . ALA A 1 50 ? 28.371 5.987 26.878 1.00 20.86 ? 391 ALA A N 1 ATOM 375 C CA . ALA A 1 50 ? 27.482 6.250 25.728 1.00 21.14 ? 391 ALA A CA 1 ATOM 376 C C . ALA A 1 50 ? 27.159 5.041 24.859 1.00 20.57 ? 391 ALA A C 1 ATOM 377 O O . ALA A 1 50 ? 27.877 4.069 24.869 1.00 21.30 ? 391 ALA A O 1 ATOM 378 C CB . ALA A 1 50 ? 28.105 7.300 24.824 1.00 21.66 ? 391 ALA A CB 1 ATOM 379 N N . LEU A 1 51 ? 26.064 5.147 24.116 1.00 20.51 ? 392 LEU A N 1 ATOM 380 C CA . LEU A 1 51 ? 25.687 4.185 23.085 1.00 21.53 ? 392 LEU A CA 1 ATOM 381 C C . LEU A 1 51 ? 24.653 4.883 22.204 1.00 21.70 ? 392 LEU A C 1 ATOM 382 O O . LEU A 1 51 ? 24.054 5.915 22.578 1.00 21.38 ? 392 LEU A O 1 ATOM 383 C CB . LEU A 1 51 ? 25.172 2.843 23.658 1.00 20.33 ? 392 LEU A CB 1 ATOM 384 C CG . LEU A 1 51 ? 23.738 2.797 24.250 1.00 21.49 ? 392 LEU A CG 1 ATOM 385 C CD1 . LEU A 1 51 ? 23.197 1.323 24.422 1.00 18.07 ? 392 LEU A CD1 1 ATOM 386 C CD2 . LEU A 1 51 ? 23.680 3.546 25.610 1.00 22.16 ? 392 LEU A CD2 1 ATOM 387 N N . ASN A 1 52 ? 24.465 4.330 21.027 1.00 21.80 ? 393 ASN A N 1 ATOM 388 C CA . ASN A 1 52 ? 23.552 4.862 20.054 1.00 22.52 ? 393 ASN A CA 1 ATOM 389 C C . ASN A 1 52 ? 22.213 4.117 20.237 1.00 23.05 ? 393 ASN A C 1 ATOM 390 O O . ASN A 1 52 ? 22.185 2.902 20.273 1.00 23.81 ? 393 ASN A O 1 ATOM 391 C CB . ASN A 1 52 ? 24.200 4.649 18.688 1.00 23.71 ? 393 ASN A CB 1 ATOM 392 C CG . ASN A 1 52 ? 23.365 5.188 17.546 1.00 24.94 ? 393 ASN A CG 1 ATOM 393 O OD1 . ASN A 1 52 ? 22.858 6.290 17.608 1.00 22.95 ? 393 ASN A OD1 1 ATOM 394 N ND2 . ASN A 1 52 ? 23.215 4.394 16.503 1.00 24.39 ? 393 ASN A ND2 1 ATOM 395 N N . LEU A 1 53 ? 21.106 4.846 20.367 1.00 22.14 ? 394 LEU A N 1 ATOM 396 C CA . LEU A 1 53 ? 19.839 4.247 20.727 1.00 21.35 ? 394 LEU A CA 1 ATOM 397 C C . LEU A 1 53 ? 18.724 4.565 19.767 1.00 21.26 ? 394 LEU A C 1 ATOM 398 O O . LEU A 1 53 ? 18.624 5.674 19.273 1.00 18.64 ? 394 LEU A O 1 ATOM 399 C CB . LEU A 1 53 ? 19.355 4.777 22.091 1.00 22.05 ? 394 LEU A CB 1 ATOM 400 C CG . LEU A 1 53 ? 20.141 4.433 23.354 1.00 23.59 ? 394 LEU A CG 1 ATOM 401 C CD1 . LEU A 1 53 ? 19.357 4.968 24.546 1.00 24.79 ? 394 LEU A CD1 1 ATOM 402 C CD2 . LEU A 1 53 ? 20.184 2.929 23.462 1.00 22.12 ? 394 LEU A CD2 1 ATOM 403 N N . ASP A 1 54 ? 17.840 3.590 19.563 1.00 20.02 ? 395 ASP A N 1 ATOM 404 C CA . ASP A 1 54 ? 16.603 3.852 18.858 1.00 19.44 ? 395 ASP A CA 1 ATOM 405 C C . ASP A 1 54 ? 15.725 4.776 19.717 1.00 20.22 ? 395 ASP A C 1 ATOM 406 O O . ASP A 1 54 ? 15.805 4.763 20.933 1.00 20.59 ? 395 ASP A O 1 ATOM 407 C CB . ASP A 1 54 ? 15.892 2.517 18.591 1.00 18.90 ? 395 ASP A CB 1 ATOM 408 C CG . ASP A 1 54 ? 14.453 2.707 18.209 1.00 16.88 ? 395 ASP A CG 1 ATOM 409 O OD1 . ASP A 1 54 ? 14.151 3.022 17.044 1.00 17.32 ? 395 ASP A OD1 1 ATOM 410 O OD2 . ASP A 1 54 ? 13.542 2.590 19.034 1.00 19.64 ? 395 ASP A OD2 1 ATOM 411 N N . GLY A 1 55 ? 14.832 5.543 19.100 1.00 20.90 ? 396 GLY A N 1 ATOM 412 C CA . GLY A 1 55 ? 13.962 6.447 19.844 1.00 20.48 ? 396 GLY A CA 1 ATOM 413 C C . GLY A 1 55 ? 13.143 5.920 21.012 1.00 21.75 ? 396 GLY A C 1 ATOM 414 O O . GLY A 1 55 ? 12.938 6.658 21.963 1.00 22.04 ? 396 GLY A O 1 ATOM 415 N N . GLY A 1 56 ? 12.609 4.692 20.929 1.00 21.39 ? 397 GLY A N 1 ATOM 416 C CA . GLY A 1 56 ? 11.890 4.116 22.052 1.00 20.83 ? 397 GLY A CA 1 ATOM 417 C C . GLY A 1 56 ? 12.784 3.967 23.270 1.00 23.12 ? 397 GLY A C 1 ATOM 418 O O . GLY A 1 56 ? 12.355 4.180 24.435 1.00 23.49 ? 397 GLY A O 1 ATOM 419 N N . TYR A 1 57 ? 14.048 3.625 23.043 1.00 22.91 ? 398 TYR A N 1 ATOM 420 C CA . TYR A 1 57 ? 14.962 3.564 24.180 1.00 24.84 ? 398 TYR A CA 1 ATOM 421 C C . TYR A 1 57 ? 15.405 4.950 24.638 1.00 25.70 ? 398 TYR A C 1 ATOM 422 O O . TYR A 1 57 ? 15.793 5.127 25.800 1.00 26.78 ? 398 TYR A O 1 ATOM 423 C CB . TYR A 1 57 ? 16.200 2.752 23.882 1.00 24.59 ? 398 TYR A CB 1 ATOM 424 C CG . TYR A 1 57 ? 15.996 1.297 23.463 1.00 27.61 ? 398 TYR A CG 1 ATOM 425 C CD1 . TYR A 1 57 ? 15.292 0.411 24.257 1.00 29.27 ? 398 TYR A CD1 1 ATOM 426 C CD2 . TYR A 1 57 ? 16.607 0.802 22.307 1.00 28.79 ? 398 TYR A CD2 1 ATOM 427 C CE1 . TYR A 1 57 ? 15.146 -0.935 23.880 1.00 32.79 ? 398 TYR A CE1 1 ATOM 428 C CE2 . TYR A 1 57 ? 16.490 -0.542 21.934 1.00 29.64 ? 398 TYR A CE2 1 ATOM 429 C CZ . TYR A 1 57 ? 15.754 -1.401 22.719 1.00 31.13 ? 398 TYR A CZ 1 ATOM 430 O OH . TYR A 1 57 ? 15.633 -2.729 22.345 1.00 33.48 ? 398 TYR A OH 1 ATOM 431 N N . ILE A 1 58 ? 15.378 5.934 23.745 1.00 25.60 ? 399 ILE A N 1 ATOM 432 C CA . ILE A 1 58 ? 15.793 7.275 24.156 1.00 25.28 ? 399 ILE A CA 1 ATOM 433 C C . ILE A 1 58 ? 14.764 7.770 25.150 1.00 25.87 ? 399 ILE A C 1 ATOM 434 O O . ILE A 1 58 ? 15.070 8.545 26.069 1.00 25.73 ? 399 ILE A O 1 ATOM 435 C CB . ILE A 1 58 ? 15.861 8.222 22.946 1.00 25.11 ? 399 ILE A CB 1 ATOM 436 C CG1 . ILE A 1 58 ? 17.036 7.868 22.038 1.00 22.16 ? 399 ILE A CG1 1 ATOM 437 C CG2 . ILE A 1 58 ? 15.879 9.714 23.389 1.00 25.35 ? 399 ILE A CG2 1 ATOM 438 C CD1 . ILE A 1 58 ? 17.068 8.727 20.707 1.00 22.38 ? 399 ILE A CD1 1 ATOM 439 N N . TYR A 1 59 ? 13.526 7.330 24.959 1.00 26.41 ? 400 TYR A N 1 ATOM 440 C CA . TYR A 1 59 ? 12.457 7.668 25.886 1.00 27.98 ? 400 TYR A CA 1 ATOM 441 C C . TYR A 1 59 ? 12.725 7.043 27.281 1.00 28.42 ? 400 TYR A C 1 ATOM 442 O O . TYR A 1 59 ? 12.652 7.729 28.291 1.00 28.63 ? 400 TYR A O 1 ATOM 443 C CB . TYR A 1 59 ? 11.097 7.270 25.309 1.00 29.04 ? 400 TYR A CB 1 ATOM 444 C CG . TYR A 1 59 ? 9.939 7.481 26.242 1.00 31.64 ? 400 TYR A CG 1 ATOM 445 C CD1 . TYR A 1 59 ? 9.196 8.654 26.222 1.00 36.04 ? 400 TYR A CD1 1 ATOM 446 C CD2 . TYR A 1 59 ? 9.610 6.516 27.171 1.00 35.26 ? 400 TYR A CD2 1 ATOM 447 C CE1 . TYR A 1 59 ? 8.126 8.847 27.116 1.00 37.48 ? 400 TYR A CE1 1 ATOM 448 C CE2 . TYR A 1 59 ? 8.564 6.697 28.053 1.00 38.10 ? 400 TYR A CE2 1 ATOM 449 C CZ . TYR A 1 59 ? 7.821 7.852 28.015 1.00 38.71 ? 400 TYR A CZ 1 ATOM 450 O OH . TYR A 1 59 ? 6.780 7.994 28.903 1.00 43.61 ? 400 TYR A OH 1 ATOM 451 N N . THR A 1 60 ? 13.057 5.764 27.327 1.00 28.56 ? 401 THR A N 1 ATOM 452 C CA . THR A 1 60 ? 13.472 5.099 28.576 1.00 30.07 ? 401 THR A CA 1 ATOM 453 C C . THR A 1 60 ? 14.629 5.838 29.251 1.00 29.50 ? 401 THR A C 1 ATOM 454 O O . THR A 1 60 ? 14.577 6.156 30.438 1.00 30.07 ? 401 THR A O 1 ATOM 455 C CB . THR A 1 60 ? 13.907 3.648 28.256 1.00 29.38 ? 401 THR A CB 1 ATOM 456 O OG1 . THR A 1 60 ? 12.755 2.948 27.811 1.00 34.06 ? 401 THR A OG1 1 ATOM 457 C CG2 . THR A 1 60 ? 14.311 2.822 29.509 1.00 32.09 ? 401 THR A CG2 1 ATOM 458 N N . ALA A 1 61 ? 15.668 6.102 28.468 1.00 28.52 ? 402 ALA A N 1 ATOM 459 C CA . ALA A 1 61 ? 16.896 6.715 28.945 1.00 27.37 ? 402 ALA A CA 1 ATOM 460 C C . ALA A 1 61 ? 16.658 8.136 29.443 1.00 27.49 ? 402 ALA A C 1 ATOM 461 O O . ALA A 1 61 ? 17.266 8.570 30.420 1.00 26.06 ? 402 ALA A O 1 ATOM 462 C CB . ALA A 1 61 ? 17.933 6.721 27.813 1.00 27.12 ? 402 ALA A CB 1 ATOM 463 N N . GLY A 1 62 ? 15.752 8.833 28.763 1.00 27.53 ? 403 GLY A N 1 ATOM 464 C CA . GLY A 1 62 ? 15.429 10.217 29.045 1.00 27.70 ? 403 GLY A CA 1 ATOM 465 C C . GLY A 1 62 ? 14.803 10.393 30.413 1.00 28.12 ? 403 GLY A C 1 ATOM 466 O O . GLY A 1 62 ? 15.139 11.351 31.118 1.00 27.49 ? 403 GLY A O 1 ATOM 467 N N . LYS A 1 63 ? 13.862 9.521 30.764 1.00 28.23 ? 404 LYS A N 1 ATOM 468 C CA . LYS A 1 63 ? 13.218 9.542 32.074 1.00 30.49 ? 404 LYS A CA 1 ATOM 469 C C . LYS A 1 63 ? 14.249 9.315 33.157 1.00 31.00 ? 404 LYS A C 1 ATOM 470 O O . LYS A 1 63 ? 14.064 9.756 34.292 1.00 32.30 ? 404 LYS A O 1 ATOM 471 C CB . LYS A 1 63 ? 12.138 8.457 32.174 1.00 31.45 ? 404 LYS A CB 1 ATOM 472 C CG . LYS A 1 63 ? 10.975 8.629 31.234 1.00 33.96 ? 404 LYS A CG 1 ATOM 473 C CD . LYS A 1 63 ? 9.987 9.631 31.769 1.00 41.44 ? 404 LYS A CD 1 ATOM 474 C CE . LYS A 1 63 ? 8.734 9.674 30.906 1.00 43.14 ? 404 LYS A CE 1 ATOM 475 N NZ . LYS A 1 63 ? 8.767 10.839 29.980 1.00 46.16 ? 404 LYS A NZ 1 ATOM 476 N N . CYS A 1 64 ? 15.338 8.616 32.833 1.00 30.60 ? 405 CYS A N 1 ATOM 477 C CA . CYS A 1 64 ? 16.389 8.400 33.827 1.00 29.96 ? 405 CYS A CA 1 ATOM 478 C C . CYS A 1 64 ? 17.448 9.501 33.806 1.00 29.11 ? 405 CYS A C 1 ATOM 479 O O . CYS A 1 64 ? 18.473 9.406 34.492 1.00 27.87 ? 405 CYS A O 1 ATOM 480 C CB . CYS A 1 64 ? 17.053 7.047 33.610 1.00 30.48 ? 405 CYS A CB 1 ATOM 481 S SG . CYS A 1 64 ? 15.898 5.683 33.753 1.00 36.72 ? 405 CYS A SG 1 ATOM 482 N N . GLY A 1 65 ? 17.233 10.525 32.992 1.00 27.66 ? 406 GLY A N 1 ATOM 483 C CA . GLY A 1 65 ? 18.162 11.637 32.972 1.00 27.94 ? 406 GLY A CA 1 ATOM 484 C C . GLY A 1 65 ? 19.250 11.601 31.914 1.00 27.11 ? 406 GLY A C 1 ATOM 485 O O . GLY A 1 65 ? 20.096 12.465 31.897 1.00 29.18 ? 406 GLY A O 1 ATOM 486 N N . LEU A 1 66 ? 19.246 10.626 31.016 1.00 26.23 ? 407 LEU A N 1 ATOM 487 C CA . LEU A 1 66 ? 20.250 10.641 29.954 1.00 25.65 ? 407 LEU A CA 1 ATOM 488 C C . LEU A 1 66 ? 19.832 11.648 28.864 1.00 25.90 ? 407 LEU A C 1 ATOM 489 O O . LEU A 1 66 ? 18.669 11.934 28.719 1.00 25.61 ? 407 LEU A O 1 ATOM 490 C CB . LEU A 1 66 ? 20.469 9.204 29.397 1.00 25.27 ? 407 LEU A CB 1 ATOM 491 C CG . LEU A 1 66 ? 20.936 8.086 30.345 1.00 26.08 ? 407 LEU A CG 1 ATOM 492 C CD1 . LEU A 1 66 ? 21.581 6.993 29.536 1.00 28.35 ? 407 LEU A CD1 1 ATOM 493 C CD2 . LEU A 1 66 ? 21.914 8.637 31.387 1.00 21.88 ? 407 LEU A CD2 1 ATOM 494 N N . VAL A 1 67 ? 20.778 12.153 28.097 1.00 25.36 ? 408 VAL A N 1 ATOM 495 C CA . VAL A 1 67 ? 20.455 13.134 27.086 1.00 25.78 ? 408 VAL A CA 1 ATOM 496 C C . VAL A 1 67 ? 21.002 12.742 25.721 1.00 26.15 ? 408 VAL A C 1 ATOM 497 O O . VAL A 1 67 ? 22.024 12.071 25.612 1.00 24.99 ? 408 VAL A O 1 ATOM 498 C CB . VAL A 1 67 ? 20.991 14.542 27.471 1.00 26.13 ? 408 VAL A CB 1 ATOM 499 C CG1 . VAL A 1 67 ? 20.448 14.975 28.852 1.00 26.81 ? 408 VAL A CG1 1 ATOM 500 C CG2 . VAL A 1 67 ? 22.523 14.594 27.414 1.00 24.75 ? 408 VAL A CG2 1 ATOM 501 N N . PRO A 1 68 ? 20.309 13.177 24.683 1.00 26.85 ? 409 PRO A N 1 ATOM 502 C CA . PRO A 1 68 ? 20.781 12.991 23.305 1.00 26.77 ? 409 PRO A CA 1 ATOM 503 C C . PRO A 1 68 ? 21.982 13.876 23.040 1.00 26.59 ? 409 PRO A C 1 ATOM 504 O O . PRO A 1 68 ? 22.002 15.051 23.439 1.00 26.01 ? 409 PRO A O 1 ATOM 505 C CB . PRO A 1 68 ? 19.632 13.481 22.437 1.00 27.95 ? 409 PRO A CB 1 ATOM 506 C CG . PRO A 1 68 ? 18.608 14.121 23.387 1.00 29.05 ? 409 PRO A CG 1 ATOM 507 C CD . PRO A 1 68 ? 19.024 13.890 24.790 1.00 27.37 ? 409 PRO A CD 1 ATOM 508 N N . VAL A 1 69 ? 22.968 13.342 22.337 1.00 25.22 ? 410 VAL A N 1 ATOM 509 C CA . VAL A 1 69 ? 24.201 14.073 22.102 1.00 27.01 ? 410 VAL A CA 1 ATOM 510 C C . VAL A 1 69 ? 24.411 14.410 20.618 1.00 27.25 ? 410 VAL A C 1 ATOM 511 O O . VAL A 1 69 ? 24.689 15.552 20.276 1.00 27.73 ? 410 VAL A O 1 ATOM 512 C CB . VAL A 1 69 ? 25.378 13.231 22.629 1.00 27.56 ? 410 VAL A CB 1 ATOM 513 C CG1 . VAL A 1 69 ? 26.682 13.880 22.377 1.00 28.56 ? 410 VAL A CG1 1 ATOM 514 C CG2 . VAL A 1 69 ? 25.176 12.939 24.150 1.00 29.46 ? 410 VAL A CG2 1 ATOM 515 N N . LEU A 1 70 ? 24.289 13.404 19.751 1.00 26.83 ? 411 LEU A N 1 ATOM 516 C CA . LEU A 1 70 ? 24.467 13.567 18.306 1.00 26.56 ? 411 LEU A CA 1 ATOM 517 C C . LEU A 1 70 ? 23.517 12.554 17.676 1.00 26.48 ? 411 LEU A C 1 ATOM 518 O O . LEU A 1 70 ? 23.205 11.518 18.302 1.00 24.16 ? 411 LEU A O 1 ATOM 519 C CB . LEU A 1 70 ? 25.891 13.200 17.879 1.00 27.11 ? 411 LEU A CB 1 ATOM 520 C CG . LEU A 1 70 ? 27.070 14.088 18.319 1.00 28.79 ? 411 LEU A CG 1 ATOM 521 C CD1 . LEU A 1 70 ? 28.378 13.334 18.094 1.00 31.04 ? 411 LEU A CD1 1 ATOM 522 C CD2 . LEU A 1 70 ? 27.080 15.390 17.553 1.00 25.94 ? 411 LEU A CD2 1 ATOM 523 N N . ALA A 1 71 ? 23.087 12.834 16.452 1.00 25.31 ? 412 ALA A N 1 ATOM 524 C CA . ALA A 1 71 ? 22.108 11.965 15.795 1.00 25.99 ? 412 ALA A CA 1 ATOM 525 C C . ALA A 1 71 ? 22.621 11.331 14.523 1.00 25.75 ? 412 ALA A C 1 ATOM 526 O O . ALA A 1 71 ? 23.367 11.959 13.769 1.00 25.15 ? 412 ALA A O 1 ATOM 527 C CB . ALA A 1 71 ? 20.851 12.760 15.493 1.00 26.52 ? 412 ALA A CB 1 ATOM 528 N N . GLU A 1 72 ? 22.197 10.098 14.246 1.00 26.33 ? 413 GLU A N 1 ATOM 529 C CA . GLU A 1 72 ? 22.512 9.520 12.953 1.00 26.94 ? 413 GLU A CA 1 ATOM 530 C C . GLU A 1 72 ? 21.878 10.419 11.877 1.00 28.78 ? 413 GLU A C 1 ATOM 531 O O . GLU A 1 72 ? 20.734 10.863 11.998 1.00 28.66 ? 413 GLU A O 1 ATOM 532 C CB . GLU A 1 72 ? 21.940 8.095 12.766 1.00 25.70 ? 413 GLU A CB 1 ATOM 533 C CG . GLU A 1 72 ? 22.458 7.016 13.689 1.00 24.34 ? 413 GLU A CG 1 ATOM 534 C CD . GLU A 1 72 ? 21.956 5.629 13.310 1.00 21.60 ? 413 GLU A CD 1 ATOM 535 O OE1 . GLU A 1 72 ? 20.994 5.512 12.513 1.00 22.97 ? 413 GLU A OE1 1 ATOM 536 O OE2 . GLU A 1 72 ? 22.541 4.651 13.787 1.00 20.88 ? 413 GLU A OE2 1 ATOM 537 N N . ASN A 1 73 ? 22.619 10.658 10.816 1.00 31.05 ? 414 ASN A N 1 ATOM 538 C CA . ASN A 1 73 ? 22.089 11.409 9.699 1.00 35.35 ? 414 ASN A CA 1 ATOM 539 C C . ASN A 1 73 ? 22.345 10.560 8.459 1.00 37.70 ? 414 ASN A C 1 ATOM 540 O O . ASN A 1 73 ? 23.463 10.156 8.223 1.00 38.31 ? 414 ASN A O 1 ATOM 541 C CB . ASN A 1 73 ? 22.859 12.715 9.587 1.00 34.43 ? 414 ASN A CB 1 ATOM 542 C CG . ASN A 1 73 ? 21.976 13.913 9.302 1.00 36.66 ? 414 ASN A CG 1 ATOM 543 O OD1 . ASN A 1 73 ? 22.456 15.046 9.310 1.00 40.01 ? 414 ASN A OD1 1 ATOM 544 N ND2 . ASN A 1 73 ? 20.703 13.689 9.084 1.00 33.40 ? 414 ASN A ND2 1 ATOM 545 N N . ARG A 1 74 ? 21.328 10.225 7.689 1.00 42.44 ? 415 ARG A N 1 ATOM 546 C CA . ARG A 1 74 ? 21.592 9.481 6.439 1.00 47.28 ? 415 ARG A CA 1 ATOM 547 C C . ARG A 1 74 ? 21.580 10.438 5.232 1.00 49.63 ? 415 ARG A C 1 ATOM 548 O O . ARG A 1 74 ? 21.344 11.633 5.400 1.00 49.83 ? 415 ARG A O 1 ATOM 549 C CB . ARG A 1 74 ? 20.570 8.362 6.257 1.00 47.50 ? 415 ARG A CB 1 ATOM 550 C CG . ARG A 1 74 ? 19.187 8.857 6.424 1.00 50.69 ? 415 ARG A CG 1 ATOM 551 C CD . ARG A 1 74 ? 18.117 7.859 6.082 1.00 57.93 ? 415 ARG A CD 1 ATOM 552 N NE . ARG A 1 74 ? 16.854 8.539 5.784 1.00 60.43 ? 415 ARG A NE 1 ATOM 553 C CZ . ARG A 1 74 ? 16.175 9.267 6.660 1.00 61.99 ? 415 ARG A CZ 1 ATOM 554 N NH1 . ARG A 1 74 ? 16.623 9.415 7.905 1.00 62.53 ? 415 ARG A NH1 1 ATOM 555 N NH2 . ARG A 1 74 ? 15.039 9.845 6.292 1.00 62.92 ? 415 ARG A NH2 1 ATOM 556 N N . LYS A 1 75 ? 21.814 9.933 4.020 1.00 53.60 ? 416 LYS A N 1 ATOM 557 C CA . LYS A 1 75 ? 21.827 10.816 2.837 1.00 57.33 ? 416 LYS A CA 1 ATOM 558 C C . LYS A 1 75 ? 20.505 11.547 2.565 1.00 59.62 ? 416 LYS A C 1 ATOM 559 O O . LYS A 1 75 ? 19.423 10.963 2.628 1.00 59.72 ? 416 LYS A O 1 ATOM 560 C CB . LYS A 1 75 ? 22.348 10.111 1.585 1.00 57.74 ? 416 LYS A CB 1 ATOM 561 C CG . LYS A 1 75 ? 22.152 8.632 1.581 1.00 59.21 ? 416 LYS A CG 1 ATOM 562 C CD . LYS A 1 75 ? 23.371 7.932 0.988 1.00 63.01 ? 416 LYS A CD 1 ATOM 563 C CE . LYS A 1 75 ? 24.501 7.763 2.002 1.00 64.88 ? 416 LYS A CE 1 ATOM 564 N NZ . LYS A 1 75 ? 25.217 9.030 2.332 1.00 65.37 ? 416 LYS A NZ 1 ATOM 565 N N . SER A 1 76 ? 20.617 12.832 2.249 1.00 62.45 ? 417 SER A N 1 ATOM 566 C CA . SER A 1 76 ? 19.456 13.691 2.043 1.00 65.57 ? 417 SER A CA 1 ATOM 567 C C . SER A 1 76 ? 19.198 14.061 0.583 1.00 67.71 ? 417 SER A C 1 ATOM 568 O O . SER A 1 76 ? 19.804 13.493 -0.325 1.00 68.18 ? 417 SER A O 1 ATOM 569 C CB . SER A 1 76 ? 19.643 14.977 2.840 1.00 65.52 ? 417 SER A CB 1 ATOM 570 O OG . SER A 1 76 ? 18.495 15.802 2.745 1.00 66.44 ? 417 SER A OG 1 ATOM 571 N N . SER A 1 77 ? 18.282 15.009 0.377 1.00 70.14 ? 418 SER A N 1 ATOM 572 C CA . SER A 1 77 ? 17.952 15.527 -0.953 1.00 72.33 ? 418 SER A CA 1 ATOM 573 C C . SER A 1 77 ? 17.834 17.058 -0.916 1.00 73.55 ? 418 SER A C 1 ATOM 574 O O . SER A 1 77 ? 18.414 17.757 -1.751 1.00 73.70 ? 418 SER A O 1 ATOM 575 C CB . SER A 1 77 ? 16.669 14.887 -1.501 1.00 72.48 ? 418 SER A CB 1 ATOM 576 O OG . SER A 1 77 ? 16.895 13.537 -1.880 1.00 72.98 ? 418 SER A OG 1 ATOM 577 N N . LYS A 1 78 ? 17.087 17.574 0.056 1.00 74.99 ? 419 LYS A N 1 ATOM 578 C CA . LYS A 1 78 ? 16.988 19.015 0.253 1.00 76.25 ? 419 LYS A CA 1 ATOM 579 C C . LYS A 1 78 ? 18.173 19.454 1.131 1.00 76.68 ? 419 LYS A C 1 ATOM 580 O O . LYS A 1 78 ? 18.796 18.609 1.788 1.00 76.97 ? 419 LYS A O 1 ATOM 581 C CB . LYS A 1 78 ? 15.645 19.379 0.893 1.00 76.49 ? 419 LYS A CB 1 ATOM 582 C CG . LYS A 1 78 ? 14.934 20.540 0.202 1.00 78.43 ? 419 LYS A CG 1 ATOM 583 C CD . LYS A 1 78 ? 13.946 21.259 1.117 1.00 80.82 ? 419 LYS A CD 1 ATOM 584 C CE . LYS A 1 78 ? 13.599 22.648 0.561 1.00 81.91 ? 419 LYS A CE 1 ATOM 585 N NZ . LYS A 1 78 ? 13.096 23.609 1.592 1.00 82.95 ? 419 LYS A NZ 1 ATOM 586 N N . HIS A 1 79 ? 18.480 20.757 1.128 1.00 76.94 ? 420 HIS A N 1 ATOM 587 C CA . HIS A 1 79 ? 19.609 21.333 1.882 1.00 77.05 ? 420 HIS A CA 1 ATOM 588 C C . HIS A 1 79 ? 20.968 20.834 1.368 1.00 76.16 ? 420 HIS A C 1 ATOM 589 O O . HIS A 1 79 ? 21.892 20.601 2.149 1.00 76.14 ? 420 HIS A O 1 ATOM 590 C CB . HIS A 1 79 ? 19.473 21.084 3.395 1.00 77.63 ? 420 HIS A CB 1 ATOM 591 C CG . HIS A 1 79 ? 18.101 21.360 3.931 1.00 79.78 ? 420 HIS A CG 1 ATOM 592 N ND1 . HIS A 1 79 ? 17.424 20.471 4.741 1.00 81.41 ? 420 HIS A ND1 1 ATOM 593 C CD2 . HIS A 1 79 ? 17.272 22.420 3.760 1.00 81.46 ? 420 HIS A CD2 1 ATOM 594 C CE1 . HIS A 1 79 ? 16.241 20.974 5.050 1.00 82.48 ? 420 HIS A CE1 1 ATOM 595 N NE2 . HIS A 1 79 ? 16.123 22.155 4.467 1.00 82.22 ? 420 HIS A NE2 1 ATOM 596 N N . SER A 1 80 ? 21.072 20.681 0.049 1.00 74.92 ? 421 SER A N 1 ATOM 597 C CA . SER A 1 80 ? 22.295 20.228 -0.622 1.00 73.54 ? 421 SER A CA 1 ATOM 598 C C . SER A 1 80 ? 23.599 20.880 -0.110 1.00 72.08 ? 421 SER A C 1 ATOM 599 O O . SER A 1 80 ? 24.628 20.218 0.012 1.00 72.23 ? 421 SER A O 1 ATOM 600 C CB . SER A 1 80 ? 22.143 20.420 -2.148 1.00 73.88 ? 421 SER A CB 1 ATOM 601 O OG . SER A 1 80 ? 23.386 20.434 -2.846 1.00 74.51 ? 421 SER A OG 1 ATOM 602 N N . SER A 1 81 ? 23.558 22.166 0.209 1.00 69.99 ? 422 SER A N 1 ATOM 603 C CA . SER A 1 81 ? 24.768 22.878 0.630 1.00 68.03 ? 422 SER A CA 1 ATOM 604 C C . SER A 1 81 ? 25.416 22.412 1.943 1.00 66.23 ? 422 SER A C 1 ATOM 605 O O . SER A 1 81 ? 26.626 22.183 1.994 1.00 66.03 ? 422 SER A O 1 ATOM 606 C CB . SER A 1 81 ? 24.503 24.391 0.699 1.00 68.13 ? 422 SER A CB 1 ATOM 607 O OG . SER A 1 81 ? 24.043 24.882 -0.546 1.00 69.37 ? 422 SER A OG 1 ATOM 608 N N . LEU A 1 82 ? 24.612 22.280 2.995 1.00 63.42 ? 423 LEU A N 1 ATOM 609 C CA . LEU A 1 82 ? 25.128 21.970 4.330 1.00 60.44 ? 423 LEU A CA 1 ATOM 610 C C . LEU A 1 82 ? 25.988 20.719 4.495 1.00 57.63 ? 423 LEU A C 1 ATOM 611 O O . LEU A 1 82 ? 25.724 19.673 3.899 1.00 57.13 ? 423 LEU A O 1 ATOM 612 C CB . LEU A 1 82 ? 23.969 21.900 5.312 1.00 61.20 ? 423 LEU A CB 1 ATOM 613 C CG . LEU A 1 82 ? 23.328 23.247 5.616 1.00 62.50 ? 423 LEU A CG 1 ATOM 614 C CD1 . LEU A 1 82 ? 21.815 23.097 5.740 1.00 63.29 ? 423 LEU A CD1 1 ATOM 615 C CD2 . LEU A 1 82 ? 23.945 23.841 6.882 1.00 64.35 ? 423 LEU A CD2 1 ATOM 616 N N . ASP A 1 83 ? 27.016 20.843 5.326 1.00 54.18 ? 424 ASP A N 1 ATOM 617 C CA . ASP A 1 83 ? 27.842 19.702 5.700 1.00 51.21 ? 424 ASP A CA 1 ATOM 618 C C . ASP A 1 83 ? 26.938 18.727 6.452 1.00 47.73 ? 424 ASP A C 1 ATOM 619 O O . ASP A 1 83 ? 26.010 19.158 7.141 1.00 46.65 ? 424 ASP A O 1 ATOM 620 C CB . ASP A 1 83 ? 28.979 20.147 6.616 1.00 51.95 ? 424 ASP A CB 1 ATOM 621 C CG . ASP A 1 83 ? 29.919 19.000 6.992 1.00 54.83 ? 424 ASP A CG 1 ATOM 622 O OD1 . ASP A 1 83 ? 31.146 19.149 6.779 1.00 57.28 ? 424 ASP A OD1 1 ATOM 623 O OD2 . ASP A 1 83 ? 29.533 17.919 7.514 1.00 56.62 ? 424 ASP A OD2 1 ATOM 624 N N . CYS A 1 84 ? 27.188 17.430 6.298 1.00 44.39 ? 425 CYS A N 1 ATOM 625 C CA . CYS A 1 84 ? 26.389 16.401 7.000 1.00 41.75 ? 425 CYS A CA 1 ATOM 626 C C . CYS A 1 84 ? 26.239 16.664 8.515 1.00 41.35 ? 425 CYS A C 1 ATOM 627 O O . CYS A 1 84 ? 25.139 16.582 9.041 1.00 40.65 ? 425 CYS A O 1 ATOM 628 C CB . CYS A 1 84 ? 26.936 14.990 6.737 1.00 40.65 ? 425 CYS A CB 1 ATOM 629 S SG . CYS A 1 84 ? 25.979 13.630 7.509 1.00 36.60 ? 425 CYS A SG 1 ATOM 630 N N . VAL A 1 85 ? 27.331 17.034 9.187 1.00 41.40 ? 426 VAL A N 1 ATOM 631 C CA . VAL A 1 85 ? 27.329 17.244 10.631 1.00 42.39 ? 426 VAL A CA 1 ATOM 632 C C . VAL A 1 85 ? 26.428 18.394 11.107 1.00 43.36 ? 426 VAL A C 1 ATOM 633 O O . VAL A 1 85 ? 25.940 18.392 12.246 1.00 42.19 ? 426 VAL A O 1 ATOM 634 C CB . VAL A 1 85 ? 28.776 17.390 11.172 1.00 43.07 ? 426 VAL A CB 1 ATOM 635 C CG1 . VAL A 1 85 ? 28.777 17.620 12.677 1.00 44.21 ? 426 VAL A CG1 1 ATOM 636 C CG2 . VAL A 1 85 ? 29.610 16.157 10.830 1.00 42.44 ? 426 VAL A CG2 1 ATOM 637 N N . LEU A 1 86 ? 26.191 19.356 10.214 1.00 44.08 ? 427 LEU A N 1 ATOM 638 C CA . LEU A 1 86 ? 25.341 20.514 10.500 1.00 45.43 ? 427 LEU A CA 1 ATOM 639 C C . LEU A 1 86 ? 23.920 20.395 9.945 1.00 45.03 ? 427 LEU A C 1 ATOM 640 O O . LEU A 1 86 ? 23.035 21.172 10.287 1.00 45.65 ? 427 LEU A O 1 ATOM 641 C CB . LEU A 1 86 ? 25.979 21.771 9.902 1.00 46.03 ? 427 LEU A CB 1 ATOM 642 C CG . LEU A 1 86 ? 27.353 22.054 10.501 1.00 47.46 ? 427 LEU A CG 1 ATOM 643 C CD1 . LEU A 1 86 ? 28.122 23.048 9.623 1.00 48.85 ? 427 LEU A CD1 1 ATOM 644 C CD2 . LEU A 1 86 ? 27.174 22.578 11.926 1.00 47.84 ? 427 LEU A CD2 1 ATOM 645 N N . ARG A 1 87 ? 23.706 19.424 9.081 1.00 44.95 ? 428 ARG A N 1 ATOM 646 C CA . ARG A 1 87 ? 22.404 19.226 8.463 1.00 44.83 ? 428 ARG A CA 1 ATOM 647 C C . ARG A 1 87 ? 21.353 18.683 9.429 1.00 43.82 ? 428 ARG A C 1 ATOM 648 O O . ARG A 1 87 ? 21.606 17.765 10.191 1.00 43.37 ? 428 ARG A O 1 ATOM 649 C CB . ARG A 1 87 ? 22.555 18.257 7.298 1.00 45.27 ? 428 ARG A CB 1 ATOM 650 C CG . ARG A 1 87 ? 21.360 18.231 6.352 1.00 48.15 ? 428 ARG A CG 1 ATOM 651 C CD . ARG A 1 87 ? 21.313 16.984 5.477 1.00 51.69 ? 428 ARG A CD 1 ATOM 652 N NE . ARG A 1 87 ? 22.607 16.742 4.849 1.00 52.83 ? 428 ARG A NE 1 ATOM 653 C CZ . ARG A 1 87 ? 23.178 15.555 4.732 1.00 53.10 ? 428 ARG A CZ 1 ATOM 654 N NH1 . ARG A 1 87 ? 22.577 14.459 5.193 1.00 54.19 ? 428 ARG A NH1 1 ATOM 655 N NH2 . ARG A 1 87 ? 24.363 15.470 4.146 1.00 54.50 ? 428 ARG A NH2 1 ATOM 656 N N . PRO A 1 88 ? 20.173 19.281 9.408 1.00 43.37 ? 429 PRO A N 1 ATOM 657 C CA . PRO A 1 88 ? 19.052 18.800 10.227 1.00 42.46 ? 429 PRO A CA 1 ATOM 658 C C . PRO A 1 88 ? 18.731 17.340 9.884 1.00 41.54 ? 429 PRO A C 1 ATOM 659 O O . PRO A 1 88 ? 18.930 16.940 8.746 1.00 40.64 ? 429 PRO A O 1 ATOM 660 C CB . PRO A 1 88 ? 17.861 19.664 9.780 1.00 42.74 ? 429 PRO A CB 1 ATOM 661 C CG . PRO A 1 88 ? 18.421 20.748 8.861 1.00 43.01 ? 429 PRO A CG 1 ATOM 662 C CD . PRO A 1 88 ? 19.861 20.492 8.618 1.00 43.61 ? 429 PRO A CD 1 ATOM 663 N N . THR A 1 89 ? 18.247 16.564 10.849 1.00 40.48 ? 430 THR A N 1 ATOM 664 C CA . THR A 1 89 ? 17.840 15.195 10.556 1.00 40.48 ? 430 THR A CA 1 ATOM 665 C C . THR A 1 89 ? 16.423 15.173 9.975 1.00 40.36 ? 430 THR A C 1 ATOM 666 O O . THR A 1 89 ? 15.593 16.034 10.274 1.00 39.44 ? 430 THR A O 1 ATOM 667 C CB . THR A 1 89 ? 17.874 14.320 11.809 1.00 40.01 ? 430 THR A CB 1 ATOM 668 O OG1 . THR A 1 89 ? 17.035 14.907 12.800 1.00 40.17 ? 430 THR A OG1 1 ATOM 669 C CG2 . THR A 1 89 ? 19.264 14.323 12.443 1.00 40.03 ? 430 THR A CG2 1 ATOM 670 N N . GLU A 1 90 ? 16.144 14.165 9.164 1.00 40.51 ? 431 GLU A N 1 ATOM 671 C CA . GLU A 1 90 ? 14.840 14.079 8.532 1.00 41.05 ? 431 GLU A CA 1 ATOM 672 C C . GLU A 1 90 ? 13.904 13.049 9.189 1.00 39.82 ? 431 GLU A C 1 ATOM 673 O O . GLU A 1 90 ? 12.673 13.231 9.226 1.00 41.31 ? 431 GLU A O 1 ATOM 674 C CB . GLU A 1 90 ? 15.010 13.778 7.046 1.00 41.51 ? 431 GLU A CB 1 ATOM 675 C CG . GLU A 1 90 ? 15.806 14.826 6.279 1.00 46.84 ? 431 GLU A CG 1 ATOM 676 C CD . GLU A 1 90 ? 15.783 14.564 4.777 1.00 52.31 ? 431 GLU A CD 1 ATOM 677 O OE1 . GLU A 1 90 ? 14.687 14.665 4.180 1.00 54.52 ? 431 GLU A OE1 1 ATOM 678 O OE2 . GLU A 1 90 ? 16.843 14.225 4.205 1.00 54.21 ? 431 GLU A OE2 1 ATOM 679 N N . GLY A 1 91 ? 14.458 11.971 9.698 1.00 37.13 ? 432 GLY A N 1 ATOM 680 C CA . GLY A 1 91 ? 13.611 10.996 10.383 1.00 34.66 ? 432 GLY A CA 1 ATOM 681 C C . GLY A 1 91 ? 13.365 9.826 9.458 1.00 32.28 ? 432 GLY A C 1 ATOM 682 O O . GLY A 1 91 ? 13.497 9.966 8.249 1.00 32.85 ? 432 GLY A O 1 ATOM 683 N N . TYR A 1 92 ? 12.979 8.675 9.980 1.00 29.18 ? 433 TYR A N 1 ATOM 684 C CA . TYR A 1 92 ? 12.772 7.587 9.054 1.00 25.68 ? 433 TYR A CA 1 ATOM 685 C C . TYR A 1 92 ? 11.314 7.199 9.018 1.00 25.36 ? 433 TYR A C 1 ATOM 686 O O . TYR A 1 92 ? 10.535 7.535 9.919 1.00 25.37 ? 433 TYR A O 1 ATOM 687 C CB . TYR A 1 92 ? 13.717 6.410 9.343 1.00 25.32 ? 433 TYR A CB 1 ATOM 688 C CG . TYR A 1 92 ? 13.710 5.873 10.747 1.00 20.86 ? 433 TYR A CG 1 ATOM 689 C CD1 . TYR A 1 92 ? 12.918 4.801 11.084 1.00 20.82 ? 433 TYR A CD1 1 ATOM 690 C CD2 . TYR A 1 92 ? 14.541 6.414 11.707 1.00 20.54 ? 433 TYR A CD2 1 ATOM 691 C CE1 . TYR A 1 92 ? 12.931 4.282 12.366 1.00 20.41 ? 433 TYR A CE1 1 ATOM 692 C CE2 . TYR A 1 92 ? 14.590 5.907 13.017 1.00 20.67 ? 433 TYR A CE2 1 ATOM 693 C CZ . TYR A 1 92 ? 13.766 4.839 13.327 1.00 18.05 ? 433 TYR A CZ 1 ATOM 694 O OH . TYR A 1 92 ? 13.745 4.323 14.569 1.00 20.75 ? 433 TYR A OH 1 ATOM 695 N N . LEU A 1 93 ? 10.933 6.460 7.993 1.00 24.39 ? 434 LEU A N 1 ATOM 696 C CA . LEU A 1 93 ? 9.545 6.096 7.852 1.00 24.22 ? 434 LEU A CA 1 ATOM 697 C C . LEU A 1 93 ? 9.314 4.723 8.401 1.00 23.64 ? 434 LEU A C 1 ATOM 698 O O . LEU A 1 93 ? 9.892 3.790 7.909 1.00 25.06 ? 434 LEU A O 1 ATOM 699 C CB . LEU A 1 93 ? 9.196 6.038 6.378 1.00 25.10 ? 434 LEU A CB 1 ATOM 700 C CG . LEU A 1 93 ? 9.371 7.345 5.602 1.00 28.04 ? 434 LEU A CG 1 ATOM 701 C CD1 . LEU A 1 93 ? 9.021 7.111 4.173 1.00 29.33 ? 434 LEU A CD1 1 ATOM 702 C CD2 . LEU A 1 93 ? 8.460 8.376 6.178 1.00 32.57 ? 434 LEU A CD2 1 ATOM 703 N N . ALA A 1 94 ? 8.430 4.596 9.363 1.00 23.17 ? 435 ALA A N 1 ATOM 704 C CA . ALA A 1 94 ? 8.037 3.306 9.901 1.00 23.31 ? 435 ALA A CA 1 ATOM 705 C C . ALA A 1 94 ? 7.012 2.678 8.951 1.00 23.63 ? 435 ALA A C 1 ATOM 706 O O . ALA A 1 94 ? 6.009 3.328 8.604 1.00 23.16 ? 435 ALA A O 1 ATOM 707 C CB . ALA A 1 94 ? 7.434 3.493 11.302 1.00 22.55 ? 435 ALA A CB 1 ATOM 708 N N . VAL A 1 95 ? 7.251 1.455 8.482 1.00 22.65 ? 436 VAL A N 1 ATOM 709 C CA . VAL A 1 95 ? 6.291 0.839 7.568 1.00 22.23 ? 436 VAL A CA 1 ATOM 710 C C . VAL A 1 95 ? 5.906 -0.564 8.024 1.00 23.91 ? 436 VAL A C 1 ATOM 711 O O . VAL A 1 95 ? 6.565 -1.141 8.901 1.00 24.35 ? 436 VAL A O 1 ATOM 712 C CB . VAL A 1 95 ? 6.870 0.734 6.135 1.00 23.18 ? 436 VAL A CB 1 ATOM 713 C CG1 . VAL A 1 95 ? 7.034 2.141 5.505 1.00 22.66 ? 436 VAL A CG1 1 ATOM 714 C CG2 . VAL A 1 95 ? 8.246 -0.037 6.110 1.00 21.14 ? 436 VAL A CG2 1 ATOM 715 N N . ALA A 1 96 ? 4.860 -1.122 7.418 1.00 22.54 ? 437 ALA A N 1 ATOM 716 C CA . ALA A 1 96 ? 4.466 -2.500 7.678 1.00 23.03 ? 437 ALA A CA 1 ATOM 717 C C . ALA A 1 96 ? 4.558 -3.173 6.307 1.00 23.24 ? 437 ALA A C 1 ATOM 718 O O . ALA A 1 96 ? 3.999 -2.664 5.342 1.00 23.67 ? 437 ALA A O 1 ATOM 719 C CB . ALA A 1 96 ? 3.058 -2.551 8.218 1.00 23.53 ? 437 ALA A CB 1 ATOM 720 N N . VAL A 1 97 ? 5.333 -4.250 6.219 1.00 22.70 ? 438 VAL A N 1 ATOM 721 C CA . VAL A 1 97 ? 5.686 -4.882 4.965 1.00 24.67 ? 438 VAL A CA 1 ATOM 722 C C . VAL A 1 97 ? 5.176 -6.313 4.889 1.00 25.38 ? 438 VAL A C 1 ATOM 723 O O . VAL A 1 97 ? 5.263 -7.084 5.856 1.00 24.29 ? 438 VAL A O 1 ATOM 724 C CB . VAL A 1 97 ? 7.207 -4.940 4.796 1.00 24.62 ? 438 VAL A CB 1 ATOM 725 C CG1 . VAL A 1 97 ? 7.585 -5.280 3.356 1.00 24.83 ? 438 VAL A CG1 1 ATOM 726 C CG2 . VAL A 1 97 ? 7.859 -3.662 5.276 1.00 27.11 ? 438 VAL A CG2 1 ATOM 727 N N . VAL A 1 98 ? 4.592 -6.659 3.736 1.00 27.20 ? 439 VAL A N 1 ATOM 728 C CA . VAL A 1 98 ? 4.128 -8.018 3.525 1.00 26.84 ? 439 VAL A CA 1 ATOM 729 C C . VAL A 1 98 ? 4.600 -8.531 2.169 1.00 27.90 ? 439 VAL A C 1 ATOM 730 O O . VAL A 1 98 ? 5.189 -7.807 1.373 1.00 27.50 ? 439 VAL A O 1 ATOM 731 C CB . VAL A 1 98 ? 2.599 -8.110 3.575 1.00 27.87 ? 439 VAL A CB 1 ATOM 732 C CG1 . VAL A 1 98 ? 2.066 -7.762 4.929 1.00 26.23 ? 439 VAL A CG1 1 ATOM 733 C CG2 . VAL A 1 98 ? 1.983 -7.169 2.528 1.00 25.56 ? 439 VAL A CG2 1 ATOM 734 N N . LYS A 1 99 ? 4.383 -9.826 1.923 1.00 28.57 ? 440 LYS A N 1 ATOM 735 C CA . LYS A 1 99 ? 4.696 -10.377 0.621 1.00 29.42 ? 440 LYS A CA 1 ATOM 736 C C . LYS A 1 99 ? 3.551 -10.089 -0.324 1.00 28.69 ? 440 LYS A C 1 ATOM 737 O O . LYS A 1 99 ? 2.416 -10.196 0.062 1.00 27.55 ? 440 LYS A O 1 ATOM 738 C CB . LYS A 1 99 ? 4.872 -11.904 0.716 1.00 30.30 ? 440 LYS A CB 1 ATOM 739 C CG . LYS A 1 99 ? 6.260 -12.431 0.309 1.00 35.24 ? 440 LYS A CG 1 ATOM 740 C CD . LYS A 1 99 ? 7.338 -12.175 1.333 1.00 35.97 ? 440 LYS A CD 1 ATOM 741 C CE . LYS A 1 99 ? 8.534 -13.109 1.093 1.00 36.22 ? 440 LYS A CE 1 ATOM 742 N NZ . LYS A 1 99 ? 8.302 -14.581 1.325 1.00 33.85 ? 440 LYS A NZ 1 ATOM 743 N N . LYS A 1 100 ? 3.858 -9.685 -1.549 1.00 29.96 ? 441 LYS A N 1 ATOM 744 C CA . LYS A 1 100 ? 2.821 -9.530 -2.585 1.00 32.33 ? 441 LYS A CA 1 ATOM 745 C C . LYS A 1 100 ? 1.951 -10.820 -2.696 1.00 32.12 ? 441 LYS A C 1 ATOM 746 O O . LYS A 1 100 ? 0.720 -10.756 -2.779 1.00 32.06 ? 441 LYS A O 1 ATOM 747 C CB . LYS A 1 100 ? 3.484 -9.236 -3.929 1.00 32.52 ? 441 LYS A CB 1 ATOM 748 C CG . LYS A 1 100 ? 2.517 -8.934 -5.089 1.00 37.74 ? 441 LYS A CG 1 ATOM 749 C CD . LYS A 1 100 ? 3.258 -9.101 -6.413 1.00 43.09 ? 441 LYS A CD 1 ATOM 750 C CE . LYS A 1 100 ? 2.369 -8.865 -7.628 1.00 49.51 ? 441 LYS A CE 1 ATOM 751 N NZ . LYS A 1 100 ? 3.166 -8.910 -8.930 1.00 51.67 ? 441 LYS A NZ 1 ATOM 752 N N . ALA A 1 101 ? 2.603 -11.977 -2.657 1.00 32.53 ? 442 ALA A N 1 ATOM 753 C CA . ALA A 1 101 ? 1.920 -13.263 -2.811 1.00 33.19 ? 442 ALA A CA 1 ATOM 754 C C . ALA A 1 101 ? 0.845 -13.515 -1.773 1.00 34.16 ? 442 ALA A C 1 ATOM 755 O O . ALA A 1 101 ? -0.049 -14.340 -1.991 1.00 33.69 ? 442 ALA A O 1 ATOM 756 C CB . ALA A 1 101 ? 2.907 -14.378 -2.787 1.00 33.56 ? 442 ALA A CB 1 ATOM 757 N N . ASN A 1 102 ? 0.924 -12.803 -0.648 1.00 33.89 ? 443 ASN A N 1 ATOM 758 C CA . ASN A 1 102 ? -0.028 -12.979 0.427 1.00 34.04 ? 443 ASN A CA 1 ATOM 759 C C . ASN A 1 102 ? -1.142 -11.959 0.147 1.00 35.23 ? 443 ASN A C 1 ATOM 760 O O . ASN A 1 102 ? -1.198 -10.874 0.769 1.00 33.65 ? 443 ASN A O 1 ATOM 761 C CB . ASN A 1 102 ? 0.673 -12.635 1.734 1.00 35.44 ? 443 ASN A CB 1 ATOM 762 C CG . ASN A 1 102 ? 0.050 -13.299 2.935 1.00 36.91 ? 443 ASN A CG 1 ATOM 763 O OD1 . ASN A 1 102 ? -1.146 -13.607 2.952 1.00 37.74 ? 443 ASN A OD1 1 ATOM 764 N ND2 . ASN A 1 102 ? 0.856 -13.496 3.972 1.00 38.31 ? 443 ASN A ND2 1 ATOM 765 N N . GLU A 1 103 ? -2.010 -12.298 -0.810 1.00 34.89 ? 444 GLU A N 1 ATOM 766 C CA . GLU A 1 103 ? -3.023 -11.376 -1.321 1.00 35.96 ? 444 GLU A CA 1 ATOM 767 C C . GLU A 1 103 ? -4.144 -11.179 -0.343 1.00 36.94 ? 444 GLU A C 1 ATOM 768 O O . GLU A 1 103 ? -4.443 -12.076 0.445 1.00 37.90 ? 444 GLU A O 1 ATOM 769 C CB . GLU A 1 103 ? -3.589 -11.911 -2.644 1.00 35.48 ? 444 GLU A CB 1 ATOM 770 C CG . GLU A 1 103 ? -2.536 -12.072 -3.710 1.00 35.03 ? 444 GLU A CG 1 ATOM 771 C CD . GLU A 1 103 ? -3.038 -12.810 -4.944 1.00 35.78 ? 444 GLU A CD 1 ATOM 772 O OE1 . GLU A 1 103 ? -2.204 -13.402 -5.647 1.00 33.79 ? 444 GLU A OE1 1 ATOM 773 O OE2 . GLU A 1 103 ? -4.248 -12.810 -5.207 1.00 36.56 ? 444 GLU A OE2 1 ATOM 774 N N . GLY A 1 104 ? -4.775 -10.016 -0.372 1.00 37.18 ? 445 GLY A N 1 ATOM 775 C CA . GLY A 1 104 ? -5.896 -9.805 0.539 1.00 38.66 ? 445 GLY A CA 1 ATOM 776 C C . GLY A 1 104 ? -5.531 -9.602 2.007 1.00 38.95 ? 445 GLY A C 1 ATOM 777 O O . GLY A 1 104 ? -6.403 -9.504 2.893 1.00 39.59 ? 445 GLY A O 1 ATOM 778 N N . LEU A 1 105 ? -4.232 -9.553 2.279 1.00 37.46 ? 446 LEU A N 1 ATOM 779 C CA . LEU A 1 105 ? -3.762 -9.179 3.604 1.00 36.29 ? 446 LEU A CA 1 ATOM 780 C C . LEU A 1 105 ? -3.593 -7.656 3.584 1.00 35.48 ? 446 LEU A C 1 ATOM 781 O O . LEU A 1 105 ? -2.845 -7.126 2.762 1.00 36.24 ? 446 LEU A O 1 ATOM 782 C CB . LEU A 1 105 ? -2.437 -9.855 3.932 1.00 36.61 ? 446 LEU A CB 1 ATOM 783 C CG . LEU A 1 105 ? -1.784 -9.584 5.286 1.00 38.12 ? 446 LEU A CG 1 ATOM 784 C CD1 . LEU A 1 105 ? -2.814 -9.585 6.376 1.00 38.05 ? 446 LEU A CD1 1 ATOM 785 C CD2 . LEU A 1 105 ? -0.708 -10.629 5.570 1.00 39.72 ? 446 LEU A CD2 1 ATOM 786 N N . THR A 1 106 ? -4.314 -6.961 4.458 1.00 33.69 ? 447 THR A N 1 ATOM 787 C CA . THR A 1 106 ? -4.236 -5.509 4.549 1.00 32.48 ? 447 THR A CA 1 ATOM 788 C C . THR A 1 106 ? -4.161 -5.154 6.018 1.00 31.84 ? 447 THR A C 1 ATOM 789 O O . THR A 1 106 ? -4.263 -6.023 6.858 1.00 31.45 ? 447 THR A O 1 ATOM 790 C CB . THR A 1 106 ? -5.517 -4.845 3.994 1.00 32.10 ? 447 THR A CB 1 ATOM 791 O OG1 . THR A 1 106 ? -6.633 -5.224 4.809 1.00 31.38 ? 447 THR A OG1 1 ATOM 792 C CG2 . THR A 1 106 ? -5.867 -5.344 2.602 1.00 32.02 ? 447 THR A CG2 1 ATOM 793 N N . TRP A 1 107 ? -4.041 -3.868 6.318 1.00 32.52 ? 448 TRP A N 1 ATOM 794 C CA . TRP A 1 107 ? -4.019 -3.389 7.699 1.00 33.09 ? 448 TRP A CA 1 ATOM 795 C C . TRP A 1 107 ? -5.210 -3.933 8.474 1.00 34.15 ? 448 TRP A C 1 ATOM 796 O O . TRP A 1 107 ? -5.072 -4.371 9.612 1.00 34.08 ? 448 TRP A O 1 ATOM 797 C CB . TRP A 1 107 ? -4.016 -1.858 7.748 1.00 32.69 ? 448 TRP A CB 1 ATOM 798 C CG . TRP A 1 107 ? -3.881 -1.355 9.162 1.00 34.96 ? 448 TRP A CG 1 ATOM 799 C CD1 . TRP A 1 107 ? -4.861 -0.813 9.946 1.00 36.82 ? 448 TRP A CD1 1 ATOM 800 C CD2 . TRP A 1 107 ? -2.699 -1.393 9.974 1.00 34.34 ? 448 TRP A CD2 1 ATOM 801 N NE1 . TRP A 1 107 ? -4.359 -0.506 11.191 1.00 37.83 ? 448 TRP A NE1 1 ATOM 802 C CE2 . TRP A 1 107 ? -3.026 -0.836 11.226 1.00 36.37 ? 448 TRP A CE2 1 ATOM 803 C CE3 . TRP A 1 107 ? -1.384 -1.797 9.754 1.00 31.67 ? 448 TRP A CE3 1 ATOM 804 C CZ2 . TRP A 1 107 ? -2.089 -0.705 12.258 1.00 35.11 ? 448 TRP A CZ2 1 ATOM 805 C CZ3 . TRP A 1 107 ? -0.469 -1.680 10.781 1.00 34.81 ? 448 TRP A CZ3 1 ATOM 806 C CH2 . TRP A 1 107 ? -0.824 -1.146 12.012 1.00 33.32 ? 448 TRP A CH2 1 ATOM 807 N N . ASN A 1 108 ? -6.384 -3.925 7.843 1.00 35.64 ? 449 ASN A N 1 ATOM 808 C CA . ASN A 1 108 ? -7.626 -4.385 8.474 1.00 37.02 ? 449 ASN A CA 1 ATOM 809 C C . ASN A 1 108 ? -7.805 -5.880 8.634 1.00 36.58 ? 449 ASN A C 1 ATOM 810 O O . ASN A 1 108 ? -8.810 -6.311 9.170 1.00 37.60 ? 449 ASN A O 1 ATOM 811 C CB . ASN A 1 108 ? -8.848 -3.845 7.716 1.00 38.62 ? 449 ASN A CB 1 ATOM 812 C CG . ASN A 1 108 ? -8.797 -2.344 7.529 1.00 40.61 ? 449 ASN A CG 1 ATOM 813 O OD1 . ASN A 1 108 ? -8.735 -1.580 8.494 1.00 44.01 ? 449 ASN A OD1 1 ATOM 814 N ND2 . ASN A 1 108 ? -8.801 -1.913 6.283 1.00 44.31 ? 449 ASN A ND2 1 ATOM 815 N N . SER A 1 109 ? -6.875 -6.688 8.159 1.00 36.10 ? 450 SER A N 1 ATOM 816 C CA . SER A 1 109 ? -7.005 -8.123 8.396 1.00 35.86 ? 450 SER A CA 1 ATOM 817 C C . SER A 1 109 ? -5.761 -8.690 9.095 1.00 35.45 ? 450 SER A C 1 ATOM 818 O O . SER A 1 109 ? -5.429 -9.865 8.928 1.00 35.45 ? 450 SER A O 1 ATOM 819 C CB . SER A 1 109 ? -7.296 -8.872 7.087 1.00 35.96 ? 450 SER A CB 1 ATOM 820 O OG . SER A 1 109 ? -6.356 -8.551 6.067 1.00 36.85 ? 450 SER A OG 1 ATOM 821 N N . LEU A 1 110 ? -5.068 -7.854 9.871 1.00 34.68 ? 451 LEU A N 1 ATOM 822 C CA . LEU A 1 110 ? -3.862 -8.298 10.563 1.00 33.90 ? 451 LEU A CA 1 ATOM 823 C C . LEU A 1 110 ? -4.156 -9.179 11.766 1.00 33.72 ? 451 LEU A C 1 ATOM 824 O O . LEU A 1 110 ? -3.330 -10.013 12.128 1.00 34.13 ? 451 LEU A O 1 ATOM 825 C CB . LEU A 1 110 ? -2.985 -7.130 10.987 1.00 34.04 ? 451 LEU A CB 1 ATOM 826 C CG . LEU A 1 110 ? -2.118 -6.508 9.895 1.00 34.32 ? 451 LEU A CG 1 ATOM 827 C CD1 . LEU A 1 110 ? -1.248 -5.402 10.512 1.00 35.94 ? 451 LEU A CD1 1 ATOM 828 C CD2 . LEU A 1 110 ? -1.267 -7.544 9.176 1.00 33.77 ? 451 LEU A CD2 1 ATOM 829 N N . LYS A 1 111 ? -5.324 -9.020 12.373 1.00 33.53 ? 452 LYS A N 1 ATOM 830 C CA . LYS A 1 111 ? -5.711 -9.883 13.493 1.00 34.95 ? 452 LYS A CA 1 ATOM 831 C C . LYS A 1 111 ? -5.501 -11.401 13.235 1.00 34.00 ? 452 LYS A C 1 ATOM 832 O O . LYS A 1 111 ? -5.885 -11.938 12.200 1.00 33.05 ? 452 LYS A O 1 ATOM 833 C CB . LYS A 1 111 ? -7.148 -9.572 13.965 1.00 35.42 ? 452 LYS A CB 1 ATOM 834 C CG . LYS A 1 111 ? -7.594 -10.426 15.146 1.00 40.69 ? 452 LYS A CG 1 ATOM 835 C CD . LYS A 1 111 ? -7.794 -9.632 16.431 1.00 47.10 ? 452 LYS A CD 1 ATOM 836 C CE . LYS A 1 111 ? -8.201 -10.554 17.607 1.00 50.56 ? 452 LYS A CE 1 ATOM 837 N NZ . LYS A 1 111 ? -7.114 -11.520 18.018 1.00 51.59 ? 452 LYS A NZ 1 ATOM 838 N N . ASP A 1 112 ? -4.875 -12.069 14.200 1.00 34.04 ? 453 ASP A N 1 ATOM 839 C CA . ASP A 1 112 ? -4.536 -13.499 14.139 1.00 33.93 ? 453 ASP A CA 1 ATOM 840 C C . ASP A 1 112 ? -3.502 -13.883 13.090 1.00 32.62 ? 453 ASP A C 1 ATOM 841 O O . ASP A 1 112 ? -3.342 -15.082 12.787 1.00 32.38 ? 453 ASP A O 1 ATOM 842 C CB . ASP A 1 112 ? -5.763 -14.362 13.888 1.00 35.74 ? 453 ASP A CB 1 ATOM 843 C CG . ASP A 1 112 ? -6.732 -14.349 15.031 1.00 39.39 ? 453 ASP A CG 1 ATOM 844 O OD1 . ASP A 1 112 ? -7.932 -14.554 14.779 1.00 45.32 ? 453 ASP A OD1 1 ATOM 845 O OD2 . ASP A 1 112 ? -6.287 -14.134 16.188 1.00 43.30 ? 453 ASP A OD2 1 ATOM 846 N N . LYS A 1 113 ? -2.797 -12.943 12.528 1.00 30.21 ? 454 LYS A N 1 ATOM 847 C CA . LYS A 1 113 ? -1.738 -13.312 11.652 1.00 29.04 ? 454 LYS A CA 1 ATOM 848 C C . LYS A 1 113 ? -0.406 -13.272 12.407 1.00 27.58 ? 454 LYS A C 1 ATOM 849 O O . LYS A 1 113 ? -0.346 -12.836 13.564 1.00 27.64 ? 454 LYS A O 1 ATOM 850 C CB . LYS A 1 113 ? -1.635 -12.368 10.454 1.00 29.34 ? 454 LYS A CB 1 ATOM 851 C CG . LYS A 1 113 ? -2.905 -12.273 9.637 1.00 32.45 ? 454 LYS A CG 1 ATOM 852 C CD . LYS A 1 113 ? -3.101 -13.505 8.775 1.00 37.08 ? 454 LYS A CD 1 ATOM 853 C CE . LYS A 1 113 ? -4.550 -13.907 8.689 1.00 42.11 ? 454 LYS A CE 1 ATOM 854 N NZ . LYS A 1 113 ? -5.464 -12.755 8.912 1.00 43.33 ? 454 LYS A NZ 1 ATOM 855 N N . LYS A 1 114 ? 0.644 -13.736 11.736 1.00 26.68 ? 455 LYS A N 1 ATOM 856 C CA . LYS A 1 114 ? 1.980 -13.810 12.358 1.00 26.68 ? 455 LYS A CA 1 ATOM 857 C C . LYS A 1 114 ? 2.812 -12.572 12.104 1.00 25.97 ? 455 LYS A C 1 ATOM 858 O O . LYS A 1 114 ? 2.871 -12.078 10.975 1.00 25.36 ? 455 LYS A O 1 ATOM 859 C CB . LYS A 1 114 ? 2.696 -15.062 11.884 1.00 25.89 ? 455 LYS A CB 1 ATOM 860 C CG . LYS A 1 114 ? 1.990 -16.329 12.315 1.00 28.81 ? 455 LYS A CG 1 ATOM 861 C CD . LYS A 1 114 ? 2.669 -17.564 11.748 1.00 32.75 ? 455 LYS A CD 1 ATOM 862 C CE . LYS A 1 114 ? 2.456 -17.651 10.243 1.00 37.52 ? 455 LYS A CE 1 ATOM 863 N NZ . LYS A 1 114 ? 3.330 -18.689 9.623 1.00 41.70 ? 455 LYS A NZ 1 ATOM 864 N N . SER A 1 115 ? 3.486 -12.043 13.150 1.00 25.15 ? 456 SER A N 1 ATOM 865 C CA . SER A 1 115 ? 4.189 -10.779 12.994 1.00 23.55 ? 456 SER A CA 1 ATOM 866 C C . SER A 1 115 ? 5.665 -10.885 13.342 1.00 24.25 ? 456 SER A C 1 ATOM 867 O O . SER A 1 115 ? 6.060 -11.752 14.138 1.00 24.07 ? 456 SER A O 1 ATOM 868 C CB . SER A 1 115 ? 3.505 -9.672 13.824 1.00 22.40 ? 456 SER A CB 1 ATOM 869 O OG . SER A 1 115 ? 3.490 -9.968 15.217 1.00 22.09 ? 456 SER A OG 1 ATOM 870 N N . CYS A 1 116 ? 6.455 -9.993 12.744 1.00 23.39 ? 457 CYS A N 1 ATOM 871 C CA . CYS A 1 116 ? 7.908 -9.890 12.970 1.00 23.34 ? 457 CYS A CA 1 ATOM 872 C C . CYS A 1 116 ? 8.227 -8.444 13.411 1.00 23.03 ? 457 CYS A C 1 ATOM 873 O O . CYS A 1 116 ? 7.960 -7.506 12.676 1.00 24.00 ? 457 CYS A O 1 ATOM 874 C CB . CYS A 1 116 ? 8.663 -10.178 11.674 1.00 23.44 ? 457 CYS A CB 1 ATOM 875 S SG . CYS A 1 116 ? 8.227 -11.725 10.820 1.00 25.23 ? 457 CYS A SG 1 ATOM 876 N N . HIS A 1 117 ? 8.799 -8.283 14.594 1.00 21.88 ? 458 HIS A N 1 ATOM 877 C CA . HIS A 1 117 ? 9.072 -6.974 15.217 1.00 21.40 ? 458 HIS A CA 1 ATOM 878 C C . HIS A 1 117 ? 10.555 -6.876 15.475 1.00 21.73 ? 458 HIS A C 1 ATOM 879 O O . HIS A 1 117 ? 11.184 -7.893 15.751 1.00 21.18 ? 458 HIS A O 1 ATOM 880 C CB . HIS A 1 117 ? 8.355 -6.886 16.558 1.00 20.40 ? 458 HIS A CB 1 ATOM 881 C CG . HIS A 1 117 ? 6.883 -7.102 16.463 1.00 21.51 ? 458 HIS A CG 1 ATOM 882 N ND1 . HIS A 1 117 ? 5.981 -6.064 16.415 1.00 21.91 ? 458 HIS A ND1 1 ATOM 883 C CD2 . HIS A 1 117 ? 6.156 -8.241 16.345 1.00 21.24 ? 458 HIS A CD2 1 ATOM 884 C CE1 . HIS A 1 117 ? 4.758 -6.555 16.318 1.00 24.52 ? 458 HIS A CE1 1 ATOM 885 N NE2 . HIS A 1 117 ? 4.838 -7.869 16.246 1.00 20.97 ? 458 HIS A NE2 1 ATOM 886 N N . THR A 1 118 ? 11.122 -5.671 15.386 1.00 20.63 ? 459 THR A N 1 ATOM 887 C CA . THR A 1 118 ? 12.562 -5.542 15.596 1.00 20.17 ? 459 THR A CA 1 ATOM 888 C C . THR A 1 118 ? 12.960 -5.926 17.032 1.00 19.60 ? 459 THR A C 1 ATOM 889 O O . THR A 1 118 ? 13.933 -6.629 17.229 1.00 18.68 ? 459 THR A O 1 ATOM 890 C CB . THR A 1 118 ? 13.053 -4.082 15.271 1.00 20.49 ? 459 THR A CB 1 ATOM 891 O OG1 . THR A 1 118 ? 12.267 -3.155 16.033 1.00 19.60 ? 459 THR A OG1 1 ATOM 892 C CG2 . THR A 1 118 ? 12.758 -3.715 13.821 1.00 21.22 ? 459 THR A CG2 1 ATOM 893 N N . ALA A 1 119 ? 12.200 -5.430 18.003 1.00 20.30 ? 460 ALA A N 1 ATOM 894 C CA . ALA A 1 119 ? 12.360 -5.699 19.444 1.00 21.16 ? 460 ALA A CA 1 ATOM 895 C C . ALA A 1 119 ? 11.258 -4.925 20.142 1.00 22.39 ? 460 ALA A C 1 ATOM 896 O O . ALA A 1 119 ? 10.785 -3.912 19.611 1.00 23.32 ? 460 ALA A O 1 ATOM 897 C CB . ALA A 1 119 ? 13.735 -5.240 19.976 1.00 19.76 ? 460 ALA A CB 1 ATOM 898 N N . VAL A 1 120 ? 10.802 -5.432 21.283 1.00 21.69 ? 461 VAL A N 1 ATOM 899 C CA . VAL A 1 120 ? 9.887 -4.711 22.155 1.00 22.38 ? 461 VAL A CA 1 ATOM 900 C C . VAL A 1 120 ? 10.514 -3.359 22.511 1.00 22.33 ? 461 VAL A C 1 ATOM 901 O O . VAL A 1 120 ? 11.736 -3.252 22.655 1.00 20.49 ? 461 VAL A O 1 ATOM 902 C CB . VAL A 1 120 ? 9.668 -5.576 23.421 1.00 22.81 ? 461 VAL A CB 1 ATOM 903 C CG1 . VAL A 1 120 ? 9.095 -4.793 24.636 1.00 26.12 ? 461 VAL A CG1 1 ATOM 904 C CG2 . VAL A 1 120 ? 8.783 -6.740 23.051 1.00 23.40 ? 461 VAL A CG2 1 ATOM 905 N N . ASP A 1 121 ? 9.684 -2.317 22.590 1.00 22.86 ? 462 ASP A N 1 ATOM 906 C CA . ASP A 1 121 ? 10.135 -0.976 23.018 1.00 23.74 ? 462 ASP A CA 1 ATOM 907 C C . ASP A 1 121 ? 10.824 -0.122 21.963 1.00 22.88 ? 462 ASP A C 1 ATOM 908 O O . ASP A 1 121 ? 11.228 1.016 22.249 1.00 22.99 ? 462 ASP A O 1 ATOM 909 C CB . ASP A 1 121 ? 11.080 -1.042 24.226 1.00 24.38 ? 462 ASP A CB 1 ATOM 910 C CG . ASP A 1 121 ? 10.347 -1.119 25.532 1.00 29.67 ? 462 ASP A CG 1 ATOM 911 O OD1 . ASP A 1 121 ? 9.080 -1.075 25.536 1.00 29.24 ? 462 ASP A OD1 1 ATOM 912 O OD2 . ASP A 1 121 ? 10.988 -1.231 26.608 1.00 32.25 ? 462 ASP A OD2 1 ATOM 913 N N . ARG A 1 122 ? 10.944 -0.641 20.754 1.00 22.07 ? 463 ARG A N 1 ATOM 914 C CA . ARG A 1 122 ? 11.609 0.098 19.676 1.00 21.54 ? 463 ARG A CA 1 ATOM 915 C C . ARG A 1 122 ? 10.569 0.841 18.829 1.00 20.84 ? 463 ARG A C 1 ATOM 916 O O . ARG A 1 122 ? 9.431 0.438 18.793 1.00 20.91 ? 463 ARG A O 1 ATOM 917 C CB . ARG A 1 122 ? 12.484 -0.864 18.846 1.00 21.29 ? 463 ARG A CB 1 ATOM 918 C CG . ARG A 1 122 ? 13.757 -1.299 19.589 1.00 23.71 ? 463 ARG A CG 1 ATOM 919 C CD . ARG A 1 122 ? 14.768 -2.137 18.804 1.00 25.51 ? 463 ARG A CD 1 ATOM 920 N NE . ARG A 1 122 ? 15.104 -1.577 17.492 1.00 27.50 ? 463 ARG A NE 1 ATOM 921 C CZ . ARG A 1 122 ? 16.196 -1.889 16.798 1.00 30.79 ? 463 ARG A CZ 1 ATOM 922 N NH1 . ARG A 1 122 ? 17.061 -2.779 17.286 1.00 28.99 ? 463 ARG A NH1 1 ATOM 923 N NH2 . ARG A 1 122 ? 16.405 -1.342 15.591 1.00 29.18 ? 463 ARG A NH2 1 ATOM 924 N N . THR A 1 123 ? 10.948 1.914 18.139 1.00 20.75 ? 464 THR A N 1 ATOM 925 C CA . THR A 1 123 ? 9.961 2.716 17.393 1.00 20.43 ? 464 THR A CA 1 ATOM 926 C C . THR A 1 123 ? 9.124 2.036 16.263 1.00 20.69 ? 464 THR A C 1 ATOM 927 O O . THR A 1 123 ? 7.910 1.956 16.339 1.00 20.53 ? 464 THR A O 1 ATOM 928 C CB . THR A 1 123 ? 10.656 3.973 16.820 1.00 20.70 ? 464 THR A CB 1 ATOM 929 O OG1 . THR A 1 123 ? 11.280 4.689 17.899 1.00 20.23 ? 464 THR A OG1 1 ATOM 930 C CG2 . THR A 1 123 ? 9.618 4.983 16.323 1.00 19.16 ? 464 THR A CG2 1 ATOM 931 N N . ALA A 1 124 ? 9.781 1.630 15.187 1.00 20.80 ? 465 ALA A N 1 ATOM 932 C CA . ALA A 1 124 ? 9.088 1.087 14.035 1.00 21.40 ? 465 ALA A CA 1 ATOM 933 C C . ALA A 1 124 ? 8.660 -0.330 14.357 1.00 22.13 ? 465 ALA A C 1 ATOM 934 O O . ALA A 1 124 ? 7.633 -0.820 13.890 1.00 21.41 ? 465 ALA A O 1 ATOM 935 C CB . ALA A 1 124 ? 10.042 1.106 12.801 1.00 21.10 ? 465 ALA A CB 1 ATOM 936 N N . GLY A 1 125 ? 9.429 -0.999 15.200 1.00 21.36 ? 466 GLY A N 1 ATOM 937 C CA . GLY A 1 125 ? 9.108 -2.403 15.401 1.00 22.92 ? 466 GLY A CA 1 ATOM 938 C C . GLY A 1 125 ? 8.048 -2.649 16.441 1.00 23.08 ? 466 GLY A C 1 ATOM 939 O O . GLY A 1 125 ? 7.419 -3.713 16.458 1.00 23.61 ? 466 GLY A O 1 ATOM 940 N N . TRP A 1 126 ? 7.823 -1.676 17.320 1.00 21.93 ? 467 TRP A N 1 ATOM 941 C CA . TRP A 1 126 ? 6.895 -1.933 18.409 1.00 21.54 ? 467 TRP A CA 1 ATOM 942 C C . TRP A 1 126 ? 5.972 -0.763 18.802 1.00 21.48 ? 467 TRP A C 1 ATOM 943 O O . TRP A 1 126 ? 4.750 -0.880 18.746 1.00 22.18 ? 467 TRP A O 1 ATOM 944 C CB . TRP A 1 126 ? 7.708 -2.388 19.639 1.00 21.76 ? 467 TRP A CB 1 ATOM 945 C CG . TRP A 1 126 ? 6.834 -2.842 20.788 1.00 22.73 ? 467 TRP A CG 1 ATOM 946 C CD1 . TRP A 1 126 ? 6.463 -2.091 21.858 1.00 23.32 ? 467 TRP A CD1 1 ATOM 947 C CD2 . TRP A 1 126 ? 6.211 -4.121 20.956 1.00 23.77 ? 467 TRP A CD2 1 ATOM 948 N NE1 . TRP A 1 126 ? 5.664 -2.827 22.698 1.00 24.42 ? 467 TRP A NE1 1 ATOM 949 C CE2 . TRP A 1 126 ? 5.486 -4.074 22.169 1.00 24.95 ? 467 TRP A CE2 1 ATOM 950 C CE3 . TRP A 1 126 ? 6.177 -5.306 20.195 1.00 25.11 ? 467 TRP A CE3 1 ATOM 951 C CZ2 . TRP A 1 126 ? 4.756 -5.169 22.665 1.00 26.68 ? 467 TRP A CZ2 1 ATOM 952 C CZ3 . TRP A 1 126 ? 5.450 -6.394 20.682 1.00 25.60 ? 467 TRP A CZ3 1 ATOM 953 C CH2 . TRP A 1 126 ? 4.744 -6.311 21.908 1.00 27.14 ? 467 TRP A CH2 1 ATOM 954 N N . ASN A 1 127 ? 6.558 0.351 19.205 1.00 20.47 ? 468 ASN A N 1 ATOM 955 C CA . ASN A 1 127 ? 5.783 1.445 19.712 1.00 22.41 ? 468 ASN A CA 1 ATOM 956 C C . ASN A 1 127 ? 4.764 2.014 18.736 1.00 23.01 ? 468 ASN A C 1 ATOM 957 O O . ASN A 1 127 ? 3.677 2.323 19.163 1.00 24.54 ? 468 ASN A O 1 ATOM 958 C CB . ASN A 1 127 ? 6.687 2.570 20.212 1.00 22.77 ? 468 ASN A CB 1 ATOM 959 C CG . ASN A 1 127 ? 7.478 2.176 21.455 1.00 22.42 ? 468 ASN A CG 1 ATOM 960 O OD1 . ASN A 1 127 ? 7.116 1.222 22.164 1.00 24.84 ? 468 ASN A OD1 1 ATOM 961 N ND2 . ASN A 1 127 ? 8.562 2.923 21.735 1.00 22.23 ? 468 ASN A ND2 1 ATOM 962 N N . ILE A 1 128 ? 5.114 2.149 17.464 1.00 23.39 ? 469 ILE A N 1 ATOM 963 C CA . ILE A 1 128 ? 4.202 2.745 16.484 1.00 24.45 ? 469 ILE A CA 1 ATOM 964 C C . ILE A 1 128 ? 3.099 1.743 16.176 1.00 25.22 ? 469 ILE A C 1 ATOM 965 O O . ILE A 1 128 ? 1.941 2.010 16.443 1.00 25.39 ? 469 ILE A O 1 ATOM 966 C CB . ILE A 1 128 ? 4.960 3.235 15.216 1.00 24.36 ? 469 ILE A CB 1 ATOM 967 C CG1 . ILE A 1 128 ? 5.809 4.482 15.520 1.00 25.05 ? 469 ILE A CG1 1 ATOM 968 C CG2 . ILE A 1 128 ? 4.009 3.490 14.044 1.00 24.82 ? 469 ILE A CG2 1 ATOM 969 C CD1 . ILE A 1 128 ? 5.087 5.651 16.213 1.00 26.41 ? 469 ILE A CD1 1 ATOM 970 N N . PRO A 1 129 ? 3.446 0.543 15.717 1.00 25.79 ? 470 PRO A N 1 ATOM 971 C CA . PRO A 1 129 ? 2.397 -0.423 15.344 1.00 26.14 ? 470 PRO A CA 1 ATOM 972 C C . PRO A 1 129 ? 1.517 -0.896 16.504 1.00 26.87 ? 470 PRO A C 1 ATOM 973 O O . PRO A 1 129 ? 0.296 -0.957 16.315 1.00 26.61 ? 470 PRO A O 1 ATOM 974 C CB . PRO A 1 129 ? 3.173 -1.570 14.656 1.00 26.17 ? 470 PRO A CB 1 ATOM 975 C CG . PRO A 1 129 ? 4.617 -1.481 15.145 1.00 26.23 ? 470 PRO A CG 1 ATOM 976 C CD . PRO A 1 129 ? 4.815 0.002 15.543 1.00 25.67 ? 470 PRO A CD 1 ATOM 977 N N . MET A 1 130 ? 2.084 -1.203 17.677 1.00 26.76 ? 471 MET A N 1 ATOM 978 C CA . MET A 1 130 ? 1.274 -1.640 18.810 1.00 27.51 ? 471 MET A CA 1 ATOM 979 C C . MET A 1 130 ? 0.425 -0.493 19.389 1.00 28.41 ? 471 MET A C 1 ATOM 980 O O . MET A 1 130 ? -0.670 -0.736 19.903 1.00 27.93 ? 471 MET A O 1 ATOM 981 C CB . MET A 1 130 ? 2.143 -2.270 19.924 1.00 27.33 ? 471 MET A CB 1 ATOM 982 C CG . MET A 1 130 ? 2.824 -3.530 19.481 1.00 30.31 ? 471 MET A CG 1 ATOM 983 S SD . MET A 1 130 ? 1.650 -4.748 18.765 1.00 36.05 ? 471 MET A SD 1 ATOM 984 C CE . MET A 1 130 ? 1.835 -4.446 17.263 1.00 36.98 ? 471 MET A CE 1 ATOM 985 N N . GLY A 1 131 ? 0.948 0.731 19.313 1.00 28.62 ? 472 GLY A N 1 ATOM 986 C CA . GLY A 1 131 ? 0.223 1.915 19.746 1.00 29.64 ? 472 GLY A CA 1 ATOM 987 C C . GLY A 1 131 ? -1.012 2.147 18.891 1.00 30.97 ? 472 GLY A C 1 ATOM 988 O O . GLY A 1 131 ? -2.094 2.448 19.409 1.00 31.07 ? 472 GLY A O 1 ATOM 989 N N . LEU A 1 132 ? -0.848 2.014 17.577 1.00 30.46 ? 473 LEU A N 1 ATOM 990 C CA . LEU A 1 132 ? -1.974 2.099 16.674 1.00 32.04 ? 473 LEU A CA 1 ATOM 991 C C . LEU A 1 132 ? -2.972 0.952 16.905 1.00 32.99 ? 473 LEU A C 1 ATOM 992 O O . LEU A 1 132 ? -4.179 1.158 16.875 1.00 33.25 ? 473 LEU A O 1 ATOM 993 C CB . LEU A 1 132 ? -1.498 2.062 15.229 1.00 30.51 ? 473 LEU A CB 1 ATOM 994 C CG . LEU A 1 132 ? -0.686 3.254 14.739 1.00 31.88 ? 473 LEU A CG 1 ATOM 995 C CD1 . LEU A 1 132 ? -0.057 2.916 13.372 1.00 29.03 ? 473 LEU A CD1 1 ATOM 996 C CD2 . LEU A 1 132 ? -1.548 4.542 14.671 1.00 32.92 ? 473 LEU A CD2 1 ATOM 997 N N . ILE A 1 133 ? -2.465 -0.251 17.125 1.00 33.51 ? 474 ILE A N 1 ATOM 998 C CA . ILE A 1 133 ? -3.335 -1.387 17.337 1.00 35.09 ? 474 ILE A CA 1 ATOM 999 C C . ILE A 1 133 ? -4.109 -1.302 18.651 1.00 36.16 ? 474 ILE A C 1 ATOM 1000 O O . ILE A 1 133 ? -5.283 -1.639 18.702 1.00 34.96 ? 474 ILE A O 1 ATOM 1001 C CB . ILE A 1 133 ? -2.540 -2.704 17.246 1.00 34.87 ? 474 ILE A CB 1 ATOM 1002 C CG1 . ILE A 1 133 ? -2.229 -3.016 15.780 1.00 35.51 ? 474 ILE A CG1 1 ATOM 1003 C CG2 . ILE A 1 133 ? -3.292 -3.851 17.918 1.00 34.46 ? 474 ILE A CG2 1 ATOM 1004 C CD1 . ILE A 1 133 ? -1.132 -4.071 15.609 1.00 34.86 ? 474 ILE A CD1 1 ATOM 1005 N N . VAL A 1 134 ? -3.454 -0.859 19.712 1.00 37.99 ? 475 VAL A N 1 ATOM 1006 C CA . VAL A 1 134 ? -4.158 -0.664 20.969 1.00 40.30 ? 475 VAL A CA 1 ATOM 1007 C C . VAL A 1 134 ? -5.248 0.415 20.767 1.00 42.07 ? 475 VAL A C 1 ATOM 1008 O O . VAL A 1 134 ? -6.385 0.207 21.163 1.00 42.50 ? 475 VAL A O 1 ATOM 1009 C CB . VAL A 1 134 ? -3.191 -0.294 22.133 1.00 39.99 ? 475 VAL A CB 1 ATOM 1010 C CG1 . VAL A 1 134 ? -3.945 0.384 23.280 1.00 40.32 ? 475 VAL A CG1 1 ATOM 1011 C CG2 . VAL A 1 134 ? -2.471 -1.545 22.639 1.00 39.88 ? 475 VAL A CG2 1 ATOM 1012 N N . ASN A 1 135 ? -4.849 1.532 20.163 1.00 43.67 ? 476 ASN A N 1 ATOM 1013 C CA . ASN A 1 135 ? -5.739 2.627 19.824 1.00 46.01 ? 476 ASN A CA 1 ATOM 1014 C C . ASN A 1 135 ? -7.031 2.155 19.116 1.00 46.88 ? 476 ASN A C 1 ATOM 1015 O O . ASN A 1 135 ? -8.164 2.425 19.551 1.00 46.40 ? 476 ASN A O 1 ATOM 1016 C CB . ASN A 1 135 ? -5.033 3.539 18.802 1.00 46.60 ? 476 ASN A CB 1 ATOM 1017 C CG . ASN A 1 135 ? -4.693 4.935 19.286 1.00 48.17 ? 476 ASN A CG 1 ATOM 1018 O OD1 . ASN A 1 135 ? -5.117 5.908 18.679 1.00 52.78 ? 476 ASN A OD1 1 ATOM 1019 N ND2 . ASN A 1 135 ? -3.916 5.011 20.365 1.00 47.78 ? 476 ASN A ND2 1 ATOM 1020 N N . GLN A 1 136 ? -6.814 1.445 18.012 1.00 47.69 ? 477 GLN A N 1 ATOM 1021 C CA . GLN A 1 136 ? -7.897 0.946 17.165 1.00 48.99 ? 477 GLN A CA 1 ATOM 1022 C C . GLN A 1 136 ? -8.721 -0.177 17.759 1.00 49.00 ? 477 GLN A C 1 ATOM 1023 O O . GLN A 1 136 ? -9.878 -0.368 17.413 1.00 49.30 ? 477 GLN A O 1 ATOM 1024 C CB . GLN A 1 136 ? -7.321 0.482 15.835 1.00 48.93 ? 477 GLN A CB 1 ATOM 1025 C CG . GLN A 1 136 ? -6.934 1.643 14.964 1.00 51.32 ? 477 GLN A CG 1 ATOM 1026 C CD . GLN A 1 136 ? -6.082 1.219 13.801 1.00 52.59 ? 477 GLN A CD 1 ATOM 1027 O OE1 . GLN A 1 136 ? -5.885 0.020 13.571 1.00 53.11 ? 477 GLN A OE1 1 ATOM 1028 N NE2 . GLN A 1 136 ? -5.560 2.198 13.065 1.00 51.78 ? 477 GLN A NE2 1 ATOM 1029 N N . THR A 1 137 ? -8.106 -0.919 18.651 1.00 49.47 ? 478 THR A N 1 ATOM 1030 C CA . THR A 1 137 ? -8.720 -2.076 19.273 1.00 50.07 ? 478 THR A CA 1 ATOM 1031 C C . THR A 1 137 ? -9.449 -1.710 20.566 1.00 50.34 ? 478 THR A C 1 ATOM 1032 O O . THR A 1 137 ? -10.324 -2.443 21.029 1.00 50.29 ? 478 THR A O 1 ATOM 1033 C CB . THR A 1 137 ? -7.580 -3.085 19.529 1.00 50.08 ? 478 THR A CB 1 ATOM 1034 O OG1 . THR A 1 137 ? -7.696 -4.185 18.620 1.00 50.65 ? 478 THR A OG1 1 ATOM 1035 C CG2 . THR A 1 137 ? -7.646 -3.699 20.877 1.00 50.88 ? 478 THR A CG2 1 ATOM 1036 N N . GLY A 1 138 ? -9.088 -0.557 21.129 1.00 50.52 ? 479 GLY A N 1 ATOM 1037 C CA . GLY A 1 138 ? -9.579 -0.126 22.423 1.00 50.72 ? 479 GLY A CA 1 ATOM 1038 C C . GLY A 1 138 ? -9.255 -1.143 23.503 1.00 51.19 ? 479 GLY A C 1 ATOM 1039 O O . GLY A 1 138 ? -10.066 -1.375 24.393 1.00 52.05 ? 479 GLY A O 1 ATOM 1040 N N . SER A 1 139 ? -8.077 -1.757 23.442 1.00 50.82 ? 480 SER A N 1 ATOM 1041 C CA . SER A 1 139 ? -7.738 -2.813 24.384 1.00 50.60 ? 480 SER A CA 1 ATOM 1042 C C . SER A 1 139 ? -6.231 -2.958 24.595 1.00 50.49 ? 480 SER A C 1 ATOM 1043 O O . SER A 1 139 ? -5.454 -2.844 23.656 1.00 50.49 ? 480 SER A O 1 ATOM 1044 C CB . SER A 1 139 ? -8.318 -4.139 23.888 1.00 50.92 ? 480 SER A CB 1 ATOM 1045 O OG . SER A 1 139 ? -7.717 -5.238 24.550 1.00 50.35 ? 480 SER A OG 1 ATOM 1046 N N . CYS A 1 140 ? -5.826 -3.248 25.824 1.00 49.75 ? 481 CYS A N 1 ATOM 1047 C CA . CYS A 1 140 ? -4.406 -3.367 26.146 1.00 49.64 ? 481 CYS A CA 1 ATOM 1048 C C . CYS A 1 140 ? -3.849 -4.760 25.938 1.00 49.19 ? 481 CYS A C 1 ATOM 1049 O O . CYS A 1 140 ? -2.721 -5.060 26.352 1.00 48.58 ? 481 CYS A O 1 ATOM 1050 C CB . CYS A 1 140 ? -4.178 -2.963 27.595 1.00 49.40 ? 481 CYS A CB 1 ATOM 1051 S SG . CYS A 1 140 ? -4.155 -1.191 27.781 1.00 51.75 ? 481 CYS A SG 1 ATOM 1052 N N . ALA A 1 141 ? -4.655 -5.620 25.335 1.00 48.97 ? 482 ALA A N 1 ATOM 1053 C CA . ALA A 1 141 ? -4.246 -6.991 25.112 1.00 49.44 ? 482 ALA A CA 1 ATOM 1054 C C . ALA A 1 141 ? -3.498 -7.126 23.780 1.00 49.33 ? 482 ALA A C 1 ATOM 1055 O O . ALA A 1 141 ? -3.870 -7.922 22.925 1.00 49.70 ? 482 ALA A O 1 ATOM 1056 C CB . ALA A 1 141 ? -5.459 -7.917 25.158 1.00 49.71 ? 482 ALA A CB 1 ATOM 1057 N N . PHE A 1 142 ? -2.443 -6.344 23.607 1.00 48.68 ? 483 PHE A N 1 ATOM 1058 C CA . PHE A 1 142 ? -1.669 -6.409 22.379 1.00 48.06 ? 483 PHE A CA 1 ATOM 1059 C C . PHE A 1 142 ? -0.922 -7.745 22.280 1.00 47.68 ? 483 PHE A C 1 ATOM 1060 O O . PHE A 1 142 ? -0.442 -8.128 21.223 1.00 48.10 ? 483 PHE A O 1 ATOM 1061 C CB . PHE A 1 142 ? -0.693 -5.236 22.316 1.00 47.70 ? 483 PHE A CB 1 ATOM 1062 C CG . PHE A 1 142 ? 0.207 -5.141 23.508 1.00 47.18 ? 483 PHE A CG 1 ATOM 1063 C CD1 . PHE A 1 142 ? 0.105 -4.074 24.384 1.00 47.66 ? 483 PHE A CD1 1 ATOM 1064 C CD2 . PHE A 1 142 ? 1.141 -6.118 23.761 1.00 45.26 ? 483 PHE A CD2 1 ATOM 1065 C CE1 . PHE A 1 142 ? 0.928 -3.986 25.472 1.00 47.80 ? 483 PHE A CE1 1 ATOM 1066 C CE2 . PHE A 1 142 ? 1.954 -6.040 24.846 1.00 46.84 ? 483 PHE A CE2 1 ATOM 1067 C CZ . PHE A 1 142 ? 1.847 -4.971 25.716 1.00 47.67 ? 483 PHE A CZ 1 ATOM 1068 N N . ASP A 1 143 ? -0.836 -8.458 23.384 1.00 46.85 ? 484 ASP A N 1 ATOM 1069 C CA . ASP A 1 143 ? -0.184 -9.753 23.386 1.00 46.56 ? 484 ASP A CA 1 ATOM 1070 C C . ASP A 1 143 ? -1.098 -10.838 22.867 1.00 45.92 ? 484 ASP A C 1 ATOM 1071 O O . ASP A 1 143 ? -0.720 -12.003 22.812 1.00 46.01 ? 484 ASP A O 1 ATOM 1072 C CB . ASP A 1 143 ? 0.212 -10.114 24.810 1.00 47.39 ? 484 ASP A CB 1 ATOM 1073 C CG . ASP A 1 143 ? -0.966 -10.106 25.787 1.00 48.82 ? 484 ASP A CG 1 ATOM 1074 O OD1 . ASP A 1 143 ? -1.737 -9.107 25.790 1.00 51.17 ? 484 ASP A OD1 1 ATOM 1075 O OD2 . ASP A 1 143 ? -1.127 -11.080 26.545 1.00 52.04 ? 484 ASP A OD2 1 ATOM 1076 N N . GLU A 1 144 ? -2.314 -10.469 22.502 1.00 44.84 ? 485 GLU A N 1 ATOM 1077 C CA . GLU A 1 144 ? -3.272 -11.453 22.017 1.00 44.15 ? 485 GLU A CA 1 ATOM 1078 C C . GLU A 1 144 ? -3.691 -11.184 20.576 1.00 42.34 ? 485 GLU A C 1 ATOM 1079 O O . GLU A 1 144 ? -4.363 -12.013 19.965 1.00 42.91 ? 485 GLU A O 1 ATOM 1080 C CB . GLU A 1 144 ? -4.509 -11.491 22.939 1.00 44.75 ? 485 GLU A CB 1 ATOM 1081 C CG . GLU A 1 144 ? -4.577 -12.685 23.892 1.00 48.88 ? 485 GLU A CG 1 ATOM 1082 C CD . GLU A 1 144 ? -5.218 -12.387 25.239 1.00 53.89 ? 485 GLU A CD 1 ATOM 1083 O OE1 . GLU A 1 144 ? -4.706 -12.889 26.272 1.00 56.34 ? 485 GLU A OE1 1 ATOM 1084 O OE2 . GLU A 1 144 ? -6.237 -11.653 25.280 1.00 54.29 ? 485 GLU A OE2 1 ATOM 1085 N N . PHE A 1 145 ? -3.285 -10.027 20.065 1.00 39.93 ? 486 PHE A N 1 ATOM 1086 C CA . PHE A 1 145 ? -3.685 -9.613 18.721 1.00 37.87 ? 486 PHE A CA 1 ATOM 1087 C C . PHE A 1 145 ? -3.169 -10.498 17.590 1.00 36.81 ? 486 PHE A C 1 ATOM 1088 O O . PHE A 1 145 ? -3.942 -10.946 16.740 1.00 36.64 ? 486 PHE A O 1 ATOM 1089 C CB . PHE A 1 145 ? -3.235 -8.174 18.472 1.00 37.26 ? 486 PHE A CB 1 ATOM 1090 C CG . PHE A 1 145 ? -3.852 -7.593 17.234 1.00 37.55 ? 486 PHE A CG 1 ATOM 1091 C CD1 . PHE A 1 145 ? -5.193 -7.183 17.211 1.00 35.44 ? 486 PHE A CD1 1 ATOM 1092 C CD2 . PHE A 1 145 ? -3.108 -7.454 16.083 1.00 35.72 ? 486 PHE A CD2 1 ATOM 1093 C CE1 . PHE A 1 145 ? -5.747 -6.639 16.078 1.00 34.61 ? 486 PHE A CE1 1 ATOM 1094 C CE2 . PHE A 1 145 ? -3.653 -6.894 14.938 1.00 35.76 ? 486 PHE A CE2 1 ATOM 1095 C CZ . PHE A 1 145 ? -4.970 -6.479 14.934 1.00 35.29 ? 486 PHE A CZ 1 ATOM 1096 N N . PHE A 1 146 ? -1.866 -10.739 17.558 1.00 34.73 ? 487 PHE A N 1 ATOM 1097 C CA . PHE A 1 146 ? -1.295 -11.619 16.546 1.00 33.63 ? 487 PHE A CA 1 ATOM 1098 C C . PHE A 1 146 ? -1.347 -13.058 17.080 1.00 33.43 ? 487 PHE A C 1 ATOM 1099 O O . PHE A 1 146 ? -1.360 -13.261 18.290 1.00 33.81 ? 487 PHE A O 1 ATOM 1100 C CB . PHE A 1 146 ? 0.132 -11.192 16.214 1.00 32.99 ? 487 PHE A CB 1 ATOM 1101 C CG . PHE A 1 146 ? 0.214 -9.841 15.535 1.00 31.16 ? 487 PHE A CG 1 ATOM 1102 C CD1 . PHE A 1 146 ? -0.226 -9.689 14.230 1.00 29.52 ? 487 PHE A CD1 1 ATOM 1103 C CD2 . PHE A 1 146 ? 0.739 -8.739 16.192 1.00 31.01 ? 487 PHE A CD2 1 ATOM 1104 C CE1 . PHE A 1 146 ? -0.163 -8.457 13.579 1.00 30.16 ? 487 PHE A CE1 1 ATOM 1105 C CE2 . PHE A 1 146 ? 0.820 -7.508 15.548 1.00 30.36 ? 487 PHE A CE2 1 ATOM 1106 C CZ . PHE A 1 146 ? 0.342 -7.371 14.240 1.00 29.59 ? 487 PHE A CZ 1 ATOM 1107 N N . SER A 1 147 ? -1.408 -14.049 16.194 1.00 32.49 ? 488 SER A N 1 ATOM 1108 C CA . SER A 1 147 ? -1.444 -15.426 16.664 1.00 32.37 ? 488 SER A CA 1 ATOM 1109 C C . SER A 1 147 ? -0.099 -15.849 17.233 1.00 31.51 ? 488 SER A C 1 ATOM 1110 O O . SER A 1 147 ? -0.047 -16.485 18.294 1.00 31.34 ? 488 SER A O 1 ATOM 1111 C CB . SER A 1 147 ? -1.908 -16.407 15.586 1.00 31.86 ? 488 SER A CB 1 ATOM 1112 O OG . SER A 1 147 ? -1.101 -16.322 14.436 1.00 33.21 ? 488 SER A OG 1 ATOM 1113 N N . GLN A 1 148 ? 0.971 -15.469 16.537 1.00 30.55 ? 489 GLN A N 1 ATOM 1114 C CA . GLN A 1 148 ? 2.356 -15.785 16.947 1.00 30.03 ? 489 GLN A CA 1 ATOM 1115 C C . GLN A 1 148 ? 3.260 -14.654 16.438 1.00 28.72 ? 489 GLN A C 1 ATOM 1116 O O . GLN A 1 148 ? 2.987 -14.091 15.394 1.00 29.78 ? 489 GLN A O 1 ATOM 1117 C CB . GLN A 1 148 ? 2.822 -17.089 16.288 1.00 30.13 ? 489 GLN A CB 1 ATOM 1118 C CG . GLN A 1 148 ? 2.201 -18.363 16.850 1.00 34.54 ? 489 GLN A CG 1 ATOM 1119 C CD . GLN A 1 148 ? 2.753 -19.597 16.188 1.00 37.05 ? 489 GLN A CD 1 ATOM 1120 O OE1 . GLN A 1 148 ? 3.344 -20.460 16.842 1.00 39.77 ? 489 GLN A OE1 1 ATOM 1121 N NE2 . GLN A 1 148 ? 2.593 -19.676 14.882 1.00 40.11 ? 489 GLN A NE2 1 ATOM 1122 N N . SER A 1 149 ? 4.348 -14.365 17.134 1.00 26.41 ? 490 SER A N 1 ATOM 1123 C CA . SER A 1 149 ? 5.261 -13.311 16.741 1.00 25.71 ? 490 SER A CA 1 ATOM 1124 C C . SER A 1 149 ? 6.688 -13.635 17.126 1.00 24.59 ? 490 SER A C 1 ATOM 1125 O O . SER A 1 149 ? 6.957 -14.550 17.919 1.00 23.35 ? 490 SER A O 1 ATOM 1126 C CB . SER A 1 149 ? 4.940 -12.012 17.525 1.00 25.10 ? 490 SER A CB 1 ATOM 1127 O OG . SER A 1 149 ? 3.566 -11.688 17.458 1.00 28.16 ? 490 SER A OG 1 ATOM 1128 N N . CYS A 1 150 ? 7.594 -12.858 16.553 1.00 22.93 ? 491 CYS A N 1 ATOM 1129 C CA . CYS A 1 150 ? 8.934 -12.761 17.076 1.00 22.46 ? 491 CYS A CA 1 ATOM 1130 C C . CYS A 1 150 ? 9.092 -11.296 17.460 1.00 21.82 ? 491 CYS A C 1 ATOM 1131 O O . CYS A 1 150 ? 9.117 -10.404 16.597 1.00 22.25 ? 491 CYS A O 1 ATOM 1132 C CB . CYS A 1 150 ? 10.026 -13.207 16.090 1.00 22.79 ? 491 CYS A CB 1 ATOM 1133 S SG . CYS A 1 150 ? 11.671 -12.964 16.845 1.00 24.13 ? 491 CYS A SG 1 ATOM 1134 N N . ALA A 1 151 ? 9.131 -11.036 18.754 1.00 21.73 ? 492 ALA A N 1 ATOM 1135 C CA . ALA A 1 151 ? 9.312 -9.687 19.285 1.00 22.08 ? 492 ALA A CA 1 ATOM 1136 C C . ALA A 1 151 ? 10.395 -9.770 20.360 1.00 21.83 ? 492 ALA A C 1 ATOM 1137 O O . ALA A 1 151 ? 10.086 -9.958 21.524 1.00 22.13 ? 492 ALA A O 1 ATOM 1138 C CB . ALA A 1 151 ? 7.992 -9.166 19.889 1.00 20.98 ? 492 ALA A CB 1 ATOM 1139 N N . PRO A 1 152 ? 11.665 -9.703 19.976 1.00 21.98 ? 493 PRO A N 1 ATOM 1140 C CA . PRO A 1 152 ? 12.757 -9.847 20.952 1.00 22.72 ? 493 PRO A CA 1 ATOM 1141 C C . PRO A 1 152 ? 12.549 -8.985 22.201 1.00 23.53 ? 493 PRO A C 1 ATOM 1142 O O . PRO A 1 152 ? 12.124 -7.812 22.111 1.00 23.30 ? 493 PRO A O 1 ATOM 1143 C CB . PRO A 1 152 ? 14.005 -9.445 20.133 1.00 23.07 ? 493 PRO A CB 1 ATOM 1144 C CG . PRO A 1 152 ? 13.645 -9.955 18.762 1.00 23.13 ? 493 PRO A CG 1 ATOM 1145 C CD . PRO A 1 152 ? 12.165 -9.576 18.600 1.00 21.43 ? 493 PRO A CD 1 ATOM 1146 N N . GLY A 1 153 ? 12.761 -9.580 23.371 1.00 23.07 ? 494 GLY A N 1 ATOM 1147 C CA . GLY A 1 153 ? 12.534 -8.844 24.599 1.00 23.17 ? 494 GLY A CA 1 ATOM 1148 C C . GLY A 1 153 ? 11.242 -9.216 25.325 1.00 24.09 ? 494 GLY A C 1 ATOM 1149 O O . GLY A 1 153 ? 11.050 -8.848 26.484 1.00 25.36 ? 494 GLY A O 1 ATOM 1150 N N . ALA A 1 154 ? 10.362 -9.957 24.681 1.00 23.25 ? 495 ALA A N 1 ATOM 1151 C CA . ALA A 1 154 ? 9.154 -10.425 25.365 1.00 23.50 ? 495 ALA A CA 1 ATOM 1152 C C . ALA A 1 154 ? 9.462 -11.764 26.069 1.00 23.48 ? 495 ALA A C 1 ATOM 1153 O O . ALA A 1 154 ? 10.548 -12.291 25.953 1.00 24.28 ? 495 ALA A O 1 ATOM 1154 C CB . ALA A 1 154 ? 8.029 -10.595 24.409 1.00 21.01 ? 495 ALA A CB 1 ATOM 1155 N N . ASP A 1 155 ? 8.484 -12.312 26.752 1.00 24.67 ? 496 ASP A N 1 ATOM 1156 C CA . ASP A 1 155 ? 8.669 -13.559 27.525 1.00 26.32 ? 496 ASP A CA 1 ATOM 1157 C C . ASP A 1 155 ? 8.856 -14.732 26.561 1.00 25.93 ? 496 ASP A C 1 ATOM 1158 O O . ASP A 1 155 ? 8.005 -15.030 25.750 1.00 25.87 ? 496 ASP A O 1 ATOM 1159 C CB . ASP A 1 155 ? 7.470 -13.729 28.463 1.00 26.24 ? 496 ASP A CB 1 ATOM 1160 C CG . ASP A 1 155 ? 7.471 -15.083 29.248 1.00 30.28 ? 496 ASP A CG 1 ATOM 1161 O OD1 . ASP A 1 155 ? 8.439 -15.877 29.181 1.00 30.75 ? 496 ASP A OD1 1 ATOM 1162 O OD2 . ASP A 1 155 ? 6.513 -15.379 29.995 1.00 36.78 ? 496 ASP A OD2 1 ATOM 1163 N N . PRO A 1 156 ? 10.001 -15.378 26.631 1.00 27.26 ? 497 PRO A N 1 ATOM 1164 C CA . PRO A 1 156 ? 10.332 -16.470 25.707 1.00 28.30 ? 497 PRO A CA 1 ATOM 1165 C C . PRO A 1 156 ? 9.306 -17.581 25.677 1.00 29.80 ? 497 PRO A C 1 ATOM 1166 O O . PRO A 1 156 ? 9.179 -18.264 24.654 1.00 29.93 ? 497 PRO A O 1 ATOM 1167 C CB . PRO A 1 156 ? 11.666 -16.983 26.229 1.00 28.30 ? 497 PRO A CB 1 ATOM 1168 C CG . PRO A 1 156 ? 12.241 -15.821 26.911 1.00 28.03 ? 497 PRO A CG 1 ATOM 1169 C CD . PRO A 1 156 ? 11.100 -15.088 27.569 1.00 27.68 ? 497 PRO A CD 1 ATOM 1170 N N . LYS A 1 157 ? 8.552 -17.753 26.750 1.00 30.98 ? 498 LYS A N 1 ATOM 1171 C CA . LYS A 1 157 ? 7.544 -18.791 26.704 1.00 32.26 ? 498 LYS A CA 1 ATOM 1172 C C . LYS A 1 157 ? 6.202 -18.277 26.166 1.00 32.16 ? 498 LYS A C 1 ATOM 1173 O O . LYS A 1 157 ? 5.274 -19.052 25.990 1.00 32.75 ? 498 LYS A O 1 ATOM 1174 C CB . LYS A 1 157 ? 7.391 -19.491 28.071 1.00 33.11 ? 498 LYS A CB 1 ATOM 1175 C CG . LYS A 1 157 ? 6.839 -18.591 29.159 1.00 36.70 ? 498 LYS A CG 1 ATOM 1176 C CD . LYS A 1 157 ? 6.902 -19.260 30.528 1.00 40.32 ? 498 LYS A CD 1 ATOM 1177 C CE . LYS A 1 157 ? 7.189 -18.139 31.543 1.00 39.12 ? 498 LYS A CE 1 ATOM 1178 N NZ . LYS A 1 157 ? 8.604 -17.748 31.333 1.00 39.44 ? 498 LYS A NZ 1 ATOM 1179 N N . SER A 1 158 ? 6.107 -16.985 25.859 1.00 30.91 ? 499 SER A N 1 ATOM 1180 C CA . SER A 1 158 ? 4.867 -16.421 25.334 1.00 29.18 ? 499 SER A CA 1 ATOM 1181 C C . SER A 1 158 ? 4.776 -16.528 23.833 1.00 28.88 ? 499 SER A C 1 ATOM 1182 O O . SER A 1 158 ? 5.776 -16.722 23.137 1.00 27.21 ? 499 SER A O 1 ATOM 1183 C CB . SER A 1 158 ? 4.746 -14.948 25.701 1.00 29.52 ? 499 SER A CB 1 ATOM 1184 O OG . SER A 1 158 ? 5.705 -14.181 24.980 1.00 29.18 ? 499 SER A OG 1 ATOM 1185 N N . ARG A 1 159 ? 3.565 -16.337 23.321 1.00 29.18 ? 500 ARG A N 1 ATOM 1186 C CA . ARG A 1 159 ? 3.381 -16.377 21.883 1.00 29.93 ? 500 ARG A CA 1 ATOM 1187 C C . ARG A 1 159 ? 4.087 -15.211 21.159 1.00 28.39 ? 500 ARG A C 1 ATOM 1188 O O . ARG A 1 159 ? 4.315 -15.284 19.953 1.00 27.14 ? 500 ARG A O 1 ATOM 1189 C CB . ARG A 1 159 ? 1.892 -16.465 21.523 1.00 31.02 ? 500 ARG A CB 1 ATOM 1190 C CG . ARG A 1 159 ? 1.107 -15.240 21.919 1.00 35.44 ? 500 ARG A CG 1 ATOM 1191 C CD . ARG A 1 159 ? -0.260 -15.134 21.210 1.00 43.63 ? 500 ARG A CD 1 ATOM 1192 N NE . ARG A 1 159 ? -1.354 -15.701 21.987 1.00 48.14 ? 500 ARG A NE 1 ATOM 1193 C CZ . ARG A 1 159 ? -2.636 -15.509 21.689 1.00 52.17 ? 500 ARG A CZ 1 ATOM 1194 N NH1 . ARG A 1 159 ? -2.975 -14.781 20.626 1.00 52.27 ? 500 ARG A NH1 1 ATOM 1195 N NH2 . ARG A 1 159 ? -3.587 -16.037 22.451 1.00 54.37 ? 500 ARG A NH2 1 ATOM 1196 N N . LEU A 1 160 ? 4.435 -14.154 21.894 1.00 27.51 ? 501 LEU A N 1 ATOM 1197 C CA . LEU A 1 160 ? 5.215 -13.062 21.315 1.00 26.63 ? 501 LEU A CA 1 ATOM 1198 C C . LEU A 1 160 ? 6.640 -13.485 20.924 1.00 25.72 ? 501 LEU A C 1 ATOM 1199 O O . LEU A 1 160 ? 7.293 -12.769 20.207 1.00 25.34 ? 501 LEU A O 1 ATOM 1200 C CB . LEU A 1 160 ? 5.266 -11.866 22.272 1.00 27.47 ? 501 LEU A CB 1 ATOM 1201 C CG . LEU A 1 160 ? 3.953 -11.087 22.264 1.00 28.38 ? 501 LEU A CG 1 ATOM 1202 C CD1 . LEU A 1 160 ? 3.833 -10.119 23.434 1.00 27.57 ? 501 LEU A CD1 1 ATOM 1203 C CD2 . LEU A 1 160 ? 3.797 -10.368 20.922 1.00 27.62 ? 501 LEU A CD2 1 ATOM 1204 N N . CYS A 1 161 ? 7.125 -14.625 21.427 1.00 24.84 ? 502 CYS A N 1 ATOM 1205 C CA . CYS A 1 161 ? 8.453 -15.143 21.105 1.00 25.18 ? 502 CYS A CA 1 ATOM 1206 C C . CYS A 1 161 ? 8.420 -16.440 20.314 1.00 25.97 ? 502 CYS A C 1 ATOM 1207 O O . CYS A 1 161 ? 9.484 -17.018 19.967 1.00 26.32 ? 502 CYS A O 1 ATOM 1208 C CB . CYS A 1 161 ? 9.259 -15.396 22.391 1.00 25.02 ? 502 CYS A CB 1 ATOM 1209 S SG . CYS A 1 161 ? 9.834 -13.899 23.248 1.00 25.25 ? 502 CYS A SG 1 ATOM 1210 N N . ALA A 1 162 ? 7.216 -16.902 20.004 1.00 25.14 ? 503 ALA A N 1 ATOM 1211 C CA . ALA A 1 162 ? 7.076 -18.229 19.414 1.00 26.67 ? 503 ALA A CA 1 ATOM 1212 C C . ALA A 1 162 ? 7.800 -18.364 18.100 1.00 26.50 ? 503 ALA A C 1 ATOM 1213 O O . ALA A 1 162 ? 8.327 -19.411 17.749 1.00 27.09 ? 503 ALA A O 1 ATOM 1214 C CB . ALA A 1 162 ? 5.591 -18.617 19.282 1.00 26.88 ? 503 ALA A CB 1 ATOM 1215 N N . LEU A 1 163 ? 7.912 -17.270 17.381 1.00 26.14 ? 504 LEU A N 1 ATOM 1216 C CA . LEU A 1 163 ? 8.553 -17.317 16.082 1.00 25.04 ? 504 LEU A CA 1 ATOM 1217 C C . LEU A 1 163 ? 10.061 -17.017 16.105 1.00 25.22 ? 504 LEU A C 1 ATOM 1218 O O . LEU A 1 163 ? 10.743 -17.211 15.080 1.00 25.14 ? 504 LEU A O 1 ATOM 1219 C CB . LEU A 1 163 ? 7.842 -16.299 15.186 1.00 25.48 ? 504 LEU A CB 1 ATOM 1220 C CG . LEU A 1 163 ? 6.670 -16.766 14.297 1.00 27.99 ? 504 LEU A CG 1 ATOM 1221 C CD1 . LEU A 1 163 ? 6.008 -18.128 14.587 1.00 27.38 ? 504 LEU A CD1 1 ATOM 1222 C CD2 . LEU A 1 163 ? 5.673 -15.659 14.040 1.00 27.80 ? 504 LEU A CD2 1 ATOM 1223 N N . CYS A 1 164 ? 10.588 -16.515 17.229 1.00 23.04 ? 505 CYS A N 1 ATOM 1224 C CA . CYS A 1 164 ? 12.022 -16.202 17.304 1.00 22.78 ? 505 CYS A CA 1 ATOM 1225 C C . CYS A 1 164 ? 12.788 -17.531 17.277 1.00 24.26 ? 505 CYS A C 1 ATOM 1226 O O . CYS A 1 164 ? 12.257 -18.586 17.686 1.00 24.16 ? 505 CYS A O 1 ATOM 1227 C CB . CYS A 1 164 ? 12.355 -15.422 18.580 1.00 21.78 ? 505 CYS A CB 1 ATOM 1228 S SG . CYS A 1 164 ? 11.498 -13.839 18.638 1.00 24.32 ? 505 CYS A SG 1 ATOM 1229 N N . ALA A 1 165 ? 14.020 -17.488 16.791 1.00 24.10 ? 506 ALA A N 1 ATOM 1230 C CA . ALA A 1 165 ? 14.764 -18.705 16.532 1.00 25.19 ? 506 ALA A CA 1 ATOM 1231 C C . ALA A 1 165 ? 16.031 -18.824 17.354 1.00 25.91 ? 506 ALA A C 1 ATOM 1232 O O . ALA A 1 165 ? 16.677 -19.861 17.320 1.00 26.32 ? 506 ALA A O 1 ATOM 1233 C CB . ALA A 1 165 ? 15.135 -18.745 15.037 1.00 24.82 ? 506 ALA A CB 1 ATOM 1234 N N . GLY A 1 166 ? 16.431 -17.805 18.062 1.00 24.90 ? 507 GLY A N 1 ATOM 1235 C CA . GLY A 1 166 ? 17.681 -17.934 18.777 1.00 25.37 ? 507 GLY A CA 1 ATOM 1236 C C . GLY A 1 166 ? 18.916 -17.847 17.853 1.00 26.38 ? 507 GLY A C 1 ATOM 1237 O O . GLY A 1 166 ? 18.824 -17.364 16.727 1.00 24.67 ? 507 GLY A O 1 ATOM 1238 N N . ASP A 1 167 ? 20.047 -18.307 18.384 1.00 26.39 ? 508 ASP A N 1 ATOM 1239 C CA . ASP A 1 167 ? 21.340 -18.285 17.672 1.00 28.65 ? 508 ASP A CA 1 ATOM 1240 C C . ASP A 1 167 ? 21.604 -19.608 16.917 1.00 31.43 ? 508 ASP A C 1 ATOM 1241 O O . ASP A 1 167 ? 20.850 -20.570 17.104 1.00 30.93 ? 508 ASP A O 1 ATOM 1242 C CB . ASP A 1 167 ? 22.467 -17.944 18.635 1.00 28.24 ? 508 ASP A CB 1 ATOM 1243 C CG . ASP A 1 167 ? 22.850 -19.120 19.501 1.00 28.05 ? 508 ASP A CG 1 ATOM 1244 O OD1 . ASP A 1 167 ? 22.348 -20.220 19.254 1.00 26.14 ? 508 ASP A OD1 1 ATOM 1245 O OD2 . ASP A 1 167 ? 23.653 -18.935 20.441 1.00 30.28 ? 508 ASP A OD2 1 ATOM 1246 N N . ASP A 1 168 ? 22.663 -19.686 16.117 1.00 34.98 ? 509 ASP A N 1 ATOM 1247 C CA . ASP A 1 168 ? 22.862 -20.920 15.304 1.00 40.01 ? 509 ASP A CA 1 ATOM 1248 C C . ASP A 1 168 ? 22.850 -22.229 16.091 1.00 40.88 ? 509 ASP A C 1 ATOM 1249 O O . ASP A 1 168 ? 22.947 -23.305 15.495 1.00 42.74 ? 509 ASP A O 1 ATOM 1250 C CB . ASP A 1 168 ? 24.097 -20.779 14.438 1.00 41.58 ? 509 ASP A CB 1 ATOM 1251 C CG . ASP A 1 168 ? 25.341 -20.465 15.215 1.00 46.46 ? 509 ASP A CG 1 ATOM 1252 O OD1 . ASP A 1 168 ? 26.234 -19.783 14.658 1.00 54.17 ? 509 ASP A OD1 1 ATOM 1253 O OD2 . ASP A 1 168 ? 25.449 -20.882 16.385 1.00 51.81 ? 509 ASP A OD2 1 ATOM 1254 N N . GLN A 1 169 ? 22.732 -22.201 17.413 1.00 41.00 ? 510 GLN A N 1 ATOM 1255 C CA . GLN A 1 169 ? 22.662 -23.413 18.202 1.00 41.04 ? 510 GLN A CA 1 ATOM 1256 C C . GLN A 1 169 ? 21.305 -23.513 18.833 1.00 39.81 ? 510 GLN A C 1 ATOM 1257 O O . GLN A 1 169 ? 21.042 -24.448 19.593 1.00 40.12 ? 510 GLN A O 1 ATOM 1258 C CB . GLN A 1 169 ? 23.674 -23.363 19.340 1.00 41.70 ? 510 GLN A CB 1 ATOM 1259 C CG . GLN A 1 169 ? 24.990 -24.013 19.053 1.00 46.25 ? 510 GLN A CG 1 ATOM 1260 C CD . GLN A 1 169 ? 25.643 -24.538 20.317 1.00 51.41 ? 510 GLN A CD 1 ATOM 1261 O OE1 . GLN A 1 169 ? 25.375 -25.676 20.733 1.00 54.99 ? 510 GLN A OE1 1 ATOM 1262 N NE2 . GLN A 1 169 ? 26.474 -23.708 20.951 1.00 53.55 ? 510 GLN A NE2 1 ATOM 1263 N N . GLY A 1 170 ? 20.455 -22.530 18.575 1.00 38.19 ? 511 GLY A N 1 ATOM 1264 C CA . GLY A 1 170 ? 19.144 -22.505 19.190 1.00 36.47 ? 511 GLY A CA 1 ATOM 1265 C C . GLY A 1 170 ? 19.105 -21.909 20.593 1.00 35.69 ? 511 GLY A C 1 ATOM 1266 O O . GLY A 1 170 ? 18.061 -21.960 21.270 1.00 37.38 ? 511 GLY A O 1 ATOM 1267 N N . LEU A 1 171 ? 20.201 -21.314 21.060 1.00 33.15 ? 512 LEU A N 1 ATOM 1268 C CA . LEU A 1 171 ? 20.155 -20.717 22.383 1.00 31.28 ? 512 LEU A CA 1 ATOM 1269 C C . LEU A 1 171 ? 19.755 -19.252 22.247 1.00 29.60 ? 512 LEU A C 1 ATOM 1270 O O . LEU A 1 171 ? 19.791 -18.715 21.159 1.00 27.83 ? 512 LEU A O 1 ATOM 1271 C CB . LEU A 1 171 ? 21.532 -20.747 23.034 1.00 31.82 ? 512 LEU A CB 1 ATOM 1272 C CG . LEU A 1 171 ? 22.238 -22.112 23.165 1.00 32.88 ? 512 LEU A CG 1 ATOM 1273 C CD1 . LEU A 1 171 ? 23.440 -21.930 24.018 1.00 31.40 ? 512 LEU A CD1 1 ATOM 1274 C CD2 . LEU A 1 171 ? 21.344 -23.156 23.776 1.00 34.28 ? 512 LEU A CD2 1 ATOM 1275 N N . ASP A 1 172 ? 19.415 -18.630 23.368 1.00 28.26 ? 513 ASP A N 1 ATOM 1276 C CA . ASP A 1 172 ? 19.162 -17.194 23.434 1.00 27.74 ? 513 ASP A CA 1 ATOM 1277 C C . ASP A 1 172 ? 17.952 -16.813 22.631 1.00 26.92 ? 513 ASP A C 1 ATOM 1278 O O . ASP A 1 172 ? 17.906 -15.715 22.062 1.00 25.72 ? 513 ASP A O 1 ATOM 1279 C CB . ASP A 1 172 ? 20.350 -16.433 22.882 1.00 28.30 ? 513 ASP A CB 1 ATOM 1280 C CG . ASP A 1 172 ? 21.376 -16.113 23.950 1.00 33.45 ? 513 ASP A CG 1 ATOM 1281 O OD1 . ASP A 1 172 ? 20.995 -16.080 25.130 1.00 36.63 ? 513 ASP A OD1 1 ATOM 1282 O OD2 . ASP A 1 172 ? 22.569 -15.861 23.703 1.00 35.94 ? 513 ASP A OD2 1 ATOM 1283 N N . LYS A 1 173 ? 16.992 -17.725 22.542 1.00 24.72 ? 514 LYS A N 1 ATOM 1284 C CA . LYS A 1 173 ? 15.778 -17.430 21.808 1.00 24.24 ? 514 LYS A CA 1 ATOM 1285 C C . LYS A 1 173 ? 15.111 -16.171 22.362 1.00 23.53 ? 514 LYS A C 1 ATOM 1286 O O . LYS A 1 173 ? 14.903 -16.040 23.577 1.00 22.64 ? 514 LYS A O 1 ATOM 1287 C CB . LYS A 1 173 ? 14.842 -18.597 21.920 1.00 25.87 ? 514 LYS A CB 1 ATOM 1288 C CG . LYS A 1 173 ? 13.680 -18.552 21.030 1.00 31.58 ? 514 LYS A CG 1 ATOM 1289 C CD . LYS A 1 173 ? 13.167 -19.968 20.853 1.00 42.68 ? 514 LYS A CD 1 ATOM 1290 C CE . LYS A 1 173 ? 14.082 -20.771 19.908 1.00 47.52 ? 514 LYS A CE 1 ATOM 1291 N NZ . LYS A 1 173 ? 13.284 -21.642 18.960 1.00 50.77 ? 514 LYS A NZ 1 ATOM 1292 N N . CYS A 1 174 ? 14.792 -15.248 21.453 1.00 22.81 ? 515 CYS A N 1 ATOM 1293 C CA . CYS A 1 174 ? 14.084 -14.025 21.752 1.00 22.93 ? 515 CYS A CA 1 ATOM 1294 C C . CYS A 1 174 ? 14.882 -12.994 22.562 1.00 22.11 ? 515 CYS A C 1 ATOM 1295 O O . CYS A 1 174 ? 14.293 -12.032 23.029 1.00 22.43 ? 515 CYS A O 1 ATOM 1296 C CB . CYS A 1 174 ? 12.767 -14.314 22.471 1.00 23.24 ? 515 CYS A CB 1 ATOM 1297 S SG . CYS A 1 174 ? 11.354 -13.199 22.129 1.00 23.58 ? 515 CYS A SG 1 ATOM 1298 N N . VAL A 1 175 ? 16.183 -13.161 22.725 1.00 22.72 ? 516 VAL A N 1 ATOM 1299 C CA . VAL A 1 175 ? 16.913 -12.136 23.465 1.00 24.20 ? 516 VAL A CA 1 ATOM 1300 C C . VAL A 1 175 ? 16.978 -10.921 22.540 1.00 23.42 ? 516 VAL A C 1 ATOM 1301 O O . VAL A 1 175 ? 17.129 -11.075 21.320 1.00 21.94 ? 516 VAL A O 1 ATOM 1302 C CB . VAL A 1 175 ? 18.350 -12.549 23.803 1.00 25.76 ? 516 VAL A CB 1 ATOM 1303 C CG1 . VAL A 1 175 ? 18.376 -13.797 24.722 1.00 28.94 ? 516 VAL A CG1 1 ATOM 1304 C CG2 . VAL A 1 175 ? 19.154 -12.787 22.505 1.00 26.70 ? 516 VAL A CG2 1 ATOM 1305 N N . PRO A 1 176 ? 16.849 -9.728 23.097 1.00 24.06 ? 517 PRO A N 1 ATOM 1306 C CA . PRO A 1 176 ? 16.919 -8.501 22.278 1.00 23.40 ? 517 PRO A CA 1 ATOM 1307 C C . PRO A 1 176 ? 18.344 -8.037 21.979 1.00 24.03 ? 517 PRO A C 1 ATOM 1308 O O . PRO A 1 176 ? 18.745 -6.919 22.369 1.00 24.04 ? 517 PRO A O 1 ATOM 1309 C CB . PRO A 1 176 ? 16.191 -7.447 23.130 1.00 23.31 ? 517 PRO A CB 1 ATOM 1310 C CG . PRO A 1 176 ? 16.224 -7.930 24.525 1.00 23.12 ? 517 PRO A CG 1 ATOM 1311 C CD . PRO A 1 176 ? 16.565 -9.443 24.514 1.00 22.67 ? 517 PRO A CD 1 ATOM 1312 N N . ASN A 1 177 ? 19.092 -8.883 21.273 1.00 23.60 ? 518 ASN A N 1 ATOM 1313 C CA . ASN A 1 177 ? 20.404 -8.547 20.765 1.00 23.76 ? 518 ASN A CA 1 ATOM 1314 C C . ASN A 1 177 ? 20.623 -9.356 19.483 1.00 24.29 ? 518 ASN A C 1 ATOM 1315 O O . ASN A 1 177 ? 19.822 -10.235 19.170 1.00 24.04 ? 518 ASN A O 1 ATOM 1316 C CB . ASN A 1 177 ? 21.546 -8.618 21.834 1.00 22.48 ? 518 ASN A CB 1 ATOM 1317 C CG . ASN A 1 177 ? 21.974 -10.031 22.170 1.00 22.98 ? 518 ASN A CG 1 ATOM 1318 O OD1 . ASN A 1 177 ? 22.062 -10.873 21.298 1.00 25.01 ? 518 ASN A OD1 1 ATOM 1319 N ND2 . ASN A 1 177 ? 22.267 -10.283 23.442 1.00 19.96 ? 518 ASN A ND2 1 ATOM 1320 N N . SER A 1 178 ? 21.686 -9.054 18.744 1.00 23.77 ? 519 SER A N 1 ATOM 1321 C CA . SER A 1 178 ? 21.861 -9.629 17.417 1.00 25.12 ? 519 SER A CA 1 ATOM 1322 C C . SER A 1 178 ? 22.170 -11.125 17.415 1.00 26.07 ? 519 SER A C 1 ATOM 1323 O O . SER A 1 178 ? 22.213 -11.722 16.362 1.00 27.74 ? 519 SER A O 1 ATOM 1324 C CB . SER A 1 178 ? 22.903 -8.849 16.616 1.00 24.63 ? 519 SER A CB 1 ATOM 1325 O OG . SER A 1 178 ? 24.191 -9.066 17.171 1.00 24.88 ? 519 SER A OG 1 ATOM 1326 N N . LYS A 1 179 ? 22.371 -11.723 18.572 1.00 25.59 ? 520 LYS A N 1 ATOM 1327 C CA . LYS A 1 179 ? 22.456 -13.173 18.633 1.00 27.25 ? 520 LYS A CA 1 ATOM 1328 C C . LYS A 1 179 ? 21.147 -13.805 18.176 1.00 26.50 ? 520 LYS A C 1 ATOM 1329 O O . LYS A 1 179 ? 21.169 -14.930 17.660 1.00 26.53 ? 520 LYS A O 1 ATOM 1330 C CB . LYS A 1 179 ? 22.715 -13.651 20.060 1.00 27.65 ? 520 LYS A CB 1 ATOM 1331 C CG . LYS A 1 179 ? 24.084 -13.338 20.562 1.00 32.61 ? 520 LYS A CG 1 ATOM 1332 C CD . LYS A 1 179 ? 24.408 -14.258 21.731 1.00 39.70 ? 520 LYS A CD 1 ATOM 1333 C CE . LYS A 1 179 ? 24.530 -15.711 21.234 1.00 43.21 ? 520 LYS A CE 1 ATOM 1334 N NZ . LYS A 1 179 ? 24.146 -16.695 22.306 1.00 43.48 ? 520 LYS A NZ 1 ATOM 1335 N N . GLU A 1 180 ? 20.013 -13.144 18.434 1.00 24.62 ? 521 GLU A N 1 ATOM 1336 C CA . GLU A 1 180 ? 18.717 -13.671 17.980 1.00 24.13 ? 521 GLU A CA 1 ATOM 1337 C C . GLU A 1 180 ? 18.641 -13.450 16.441 1.00 23.52 ? 521 GLU A C 1 ATOM 1338 O O . GLU A 1 180 ? 18.823 -12.330 15.954 1.00 22.12 ? 521 GLU A O 1 ATOM 1339 C CB . GLU A 1 180 ? 17.532 -12.998 18.741 1.00 23.66 ? 521 GLU A CB 1 ATOM 1340 C CG . GLU A 1 180 ? 16.170 -13.025 18.043 1.00 23.88 ? 521 GLU A CG 1 ATOM 1341 C CD . GLU A 1 180 ? 15.610 -14.451 17.838 1.00 23.86 ? 521 GLU A CD 1 ATOM 1342 O OE1 . GLU A 1 180 ? 15.542 -15.241 18.825 1.00 24.39 ? 521 GLU A OE1 1 ATOM 1343 O OE2 . GLU A 1 180 ? 15.286 -14.799 16.693 1.00 24.46 ? 521 GLU A OE2 1 ATOM 1344 N N . LYS A 1 181 ? 18.443 -14.532 15.692 1.00 22.81 ? 522 LYS A N 1 ATOM 1345 C CA . LYS A 1 181 ? 18.384 -14.502 14.233 1.00 23.50 ? 522 LYS A CA 1 ATOM 1346 C C . LYS A 1 181 ? 17.431 -13.428 13.706 1.00 22.59 ? 522 LYS A C 1 ATOM 1347 O O . LYS A 1 181 ? 17.730 -12.759 12.727 1.00 23.66 ? 522 LYS A O 1 ATOM 1348 C CB . LYS A 1 181 ? 17.922 -15.890 13.724 1.00 24.07 ? 522 LYS A CB 1 ATOM 1349 C CG . LYS A 1 181 ? 17.748 -16.053 12.216 1.00 27.47 ? 522 LYS A CG 1 ATOM 1350 C CD . LYS A 1 181 ? 17.289 -17.553 11.936 1.00 30.96 ? 522 LYS A CD 1 ATOM 1351 C CE . LYS A 1 181 ? 17.752 -18.101 10.605 1.00 38.24 ? 522 LYS A CE 1 ATOM 1352 N NZ . LYS A 1 181 ? 17.433 -19.604 10.455 1.00 42.12 ? 522 LYS A NZ 1 ATOM 1353 N N . TYR A 1 182 ? 16.271 -13.283 14.323 1.00 21.95 ? 523 TYR A N 1 ATOM 1354 C CA . TYR A 1 182 ? 15.279 -12.320 13.821 1.00 21.86 ? 523 TYR A CA 1 ATOM 1355 C C . TYR A 1 182 ? 15.222 -10.990 14.599 1.00 21.64 ? 523 TYR A C 1 ATOM 1356 O O . TYR A 1 182 ? 14.189 -10.301 14.594 1.00 22.13 ? 523 TYR A O 1 ATOM 1357 C CB . TYR A 1 182 ? 13.895 -12.976 13.739 1.00 20.82 ? 523 TYR A CB 1 ATOM 1358 C CG . TYR A 1 182 ? 13.855 -14.218 12.863 1.00 22.32 ? 523 TYR A CG 1 ATOM 1359 C CD1 . TYR A 1 182 ? 14.397 -14.210 11.584 1.00 24.57 ? 523 TYR A CD1 1 ATOM 1360 C CD2 . TYR A 1 182 ? 13.310 -15.425 13.333 1.00 25.63 ? 523 TYR A CD2 1 ATOM 1361 C CE1 . TYR A 1 182 ? 14.368 -15.368 10.762 1.00 23.80 ? 523 TYR A CE1 1 ATOM 1362 C CE2 . TYR A 1 182 ? 13.274 -16.583 12.518 1.00 26.56 ? 523 TYR A CE2 1 ATOM 1363 C CZ . TYR A 1 182 ? 13.814 -16.539 11.237 1.00 27.10 ? 523 TYR A CZ 1 ATOM 1364 O OH . TYR A 1 182 ? 13.801 -17.665 10.399 1.00 28.55 ? 523 TYR A OH 1 ATOM 1365 N N . TYR A 1 183 ? 16.339 -10.593 15.195 1.00 20.57 ? 524 TYR A N 1 ATOM 1366 C CA . TYR A 1 183 ? 16.423 -9.314 15.925 1.00 20.82 ? 524 TYR A CA 1 ATOM 1367 C C . TYR A 1 183 ? 16.700 -8.112 15.006 1.00 20.86 ? 524 TYR A C 1 ATOM 1368 O O . TYR A 1 183 ? 17.453 -8.220 14.033 1.00 19.85 ? 524 TYR A O 1 ATOM 1369 C CB . TYR A 1 183 ? 17.612 -9.346 16.919 1.00 21.24 ? 524 TYR A CB 1 ATOM 1370 C CG . TYR A 1 183 ? 17.860 -7.997 17.608 1.00 20.59 ? 524 TYR A CG 1 ATOM 1371 C CD1 . TYR A 1 183 ? 17.029 -7.569 18.631 1.00 18.69 ? 524 TYR A CD1 1 ATOM 1372 C CD2 . TYR A 1 183 ? 18.911 -7.166 17.243 1.00 23.79 ? 524 TYR A CD2 1 ATOM 1373 C CE1 . TYR A 1 183 ? 17.240 -6.342 19.271 1.00 22.66 ? 524 TYR A CE1 1 ATOM 1374 C CE2 . TYR A 1 183 ? 19.112 -5.877 17.892 1.00 22.44 ? 524 TYR A CE2 1 ATOM 1375 C CZ . TYR A 1 183 ? 18.254 -5.505 18.878 1.00 20.52 ? 524 TYR A CZ 1 ATOM 1376 O OH . TYR A 1 183 ? 18.402 -4.316 19.547 1.00 26.77 ? 524 TYR A OH 1 ATOM 1377 N N . GLY A 1 184 ? 16.137 -6.959 15.336 1.00 20.70 ? 525 GLY A N 1 ATOM 1378 C CA . GLY A 1 184 ? 16.511 -5.766 14.616 1.00 20.98 ? 525 GLY A CA 1 ATOM 1379 C C . GLY A 1 184 ? 15.787 -5.559 13.295 1.00 20.83 ? 525 GLY A C 1 ATOM 1380 O O . GLY A 1 184 ? 14.949 -6.382 12.869 1.00 19.77 ? 525 GLY A O 1 ATOM 1381 N N . TYR A 1 185 ? 16.104 -4.440 12.657 1.00 19.42 ? 526 TYR A N 1 ATOM 1382 C CA . TYR A 1 185 ? 15.504 -4.179 11.359 1.00 20.50 ? 526 TYR A CA 1 ATOM 1383 C C . TYR A 1 185 ? 15.770 -5.336 10.386 1.00 20.45 ? 526 TYR A C 1 ATOM 1384 O O . TYR A 1 185 ? 14.876 -5.739 9.666 1.00 20.01 ? 526 TYR A O 1 ATOM 1385 C CB . TYR A 1 185 ? 16.093 -2.905 10.727 1.00 19.67 ? 526 TYR A CB 1 ATOM 1386 C CG . TYR A 1 185 ? 15.802 -1.581 11.473 1.00 20.10 ? 526 TYR A CG 1 ATOM 1387 C CD1 . TYR A 1 185 ? 14.512 -1.087 11.592 1.00 19.56 ? 526 TYR A CD1 1 ATOM 1388 C CD2 . TYR A 1 185 ? 16.823 -0.829 11.982 1.00 17.06 ? 526 TYR A CD2 1 ATOM 1389 C CE1 . TYR A 1 185 ? 14.249 0.117 12.238 1.00 20.20 ? 526 TYR A CE1 1 ATOM 1390 C CE2 . TYR A 1 185 ? 16.581 0.400 12.598 1.00 17.70 ? 526 TYR A CE2 1 ATOM 1391 C CZ . TYR A 1 185 ? 15.292 0.854 12.742 1.00 19.05 ? 526 TYR A CZ 1 ATOM 1392 O OH . TYR A 1 185 ? 15.041 2.048 13.377 1.00 21.66 ? 526 TYR A OH 1 ATOM 1393 N N . THR A 1 186 ? 17.016 -5.773 10.285 1.00 21.51 ? 527 THR A N 1 ATOM 1394 C CA . THR A 1 186 ? 17.354 -6.834 9.318 1.00 24.10 ? 527 THR A CA 1 ATOM 1395 C C . THR A 1 186 ? 16.719 -8.188 9.690 1.00 22.08 ? 527 THR A C 1 ATOM 1396 O O . THR A 1 186 ? 16.228 -8.912 8.812 1.00 20.69 ? 527 THR A O 1 ATOM 1397 C CB . THR A 1 186 ? 18.899 -7.014 9.217 1.00 24.50 ? 527 THR A CB 1 ATOM 1398 O OG1 . THR A 1 186 ? 19.464 -5.781 8.770 1.00 31.28 ? 527 THR A OG1 1 ATOM 1399 C CG2 . THR A 1 186 ? 19.247 -7.971 8.053 1.00 28.91 ? 527 THR A CG2 1 ATOM 1400 N N . GLY A 1 187 ? 16.782 -8.532 10.982 1.00 21.91 ? 528 GLY A N 1 ATOM 1401 C CA . GLY A 1 187 ? 16.171 -9.758 11.493 1.00 20.08 ? 528 GLY A CA 1 ATOM 1402 C C . GLY A 1 187 ? 14.669 -9.841 11.259 1.00 20.58 ? 528 GLY A C 1 ATOM 1403 O O . GLY A 1 187 ? 14.143 -10.888 10.860 1.00 19.61 ? 528 GLY A O 1 ATOM 1404 N N . ALA A 1 188 ? 13.960 -8.743 11.534 1.00 19.87 ? 529 ALA A N 1 ATOM 1405 C CA . ALA A 1 188 ? 12.526 -8.733 11.333 1.00 20.40 ? 529 ALA A CA 1 ATOM 1406 C C . ALA A 1 188 ? 12.240 -8.805 9.832 1.00 20.57 ? 529 ALA A C 1 ATOM 1407 O O . ALA A 1 188 ? 11.297 -9.471 9.417 1.00 22.74 ? 529 ALA A O 1 ATOM 1408 C CB . ALA A 1 188 ? 11.844 -7.450 11.978 1.00 20.05 ? 529 ALA A CB 1 ATOM 1409 N N . PHE A 1 189 ? 13.021 -8.141 9.001 1.00 20.10 ? 530 PHE A N 1 ATOM 1410 C CA . PHE A 1 189 ? 12.749 -8.266 7.569 1.00 21.93 ? 530 PHE A CA 1 ATOM 1411 C C . PHE A 1 189 ? 13.054 -9.716 7.102 1.00 22.60 ? 530 PHE A C 1 ATOM 1412 O O . PHE A 1 189 ? 12.312 -10.281 6.303 1.00 22.08 ? 530 PHE A O 1 ATOM 1413 C CB . PHE A 1 189 ? 13.506 -7.225 6.736 1.00 22.25 ? 530 PHE A CB 1 ATOM 1414 C CG . PHE A 1 189 ? 13.145 -7.245 5.267 1.00 22.46 ? 530 PHE A CG 1 ATOM 1415 C CD1 . PHE A 1 189 ? 11.870 -6.950 4.845 1.00 26.84 ? 530 PHE A CD1 1 ATOM 1416 C CD2 . PHE A 1 189 ? 14.080 -7.614 4.330 1.00 24.93 ? 530 PHE A CD2 1 ATOM 1417 C CE1 . PHE A 1 189 ? 11.516 -6.990 3.464 1.00 25.29 ? 530 PHE A CE1 1 ATOM 1418 C CE2 . PHE A 1 189 ? 13.746 -7.671 2.959 1.00 28.29 ? 530 PHE A CE2 1 ATOM 1419 C CZ . PHE A 1 189 ? 12.468 -7.350 2.537 1.00 28.70 ? 530 PHE A CZ 1 ATOM 1420 N N . ARG A 1 190 ? 14.104 -10.328 7.652 1.00 22.98 ? 531 ARG A N 1 ATOM 1421 C CA . ARG A 1 190 ? 14.410 -11.736 7.340 1.00 23.18 ? 531 ARG A CA 1 ATOM 1422 C C . ARG A 1 190 ? 13.291 -12.698 7.761 1.00 23.20 ? 531 ARG A C 1 ATOM 1423 O O . ARG A 1 190 ? 12.973 -13.686 7.068 1.00 23.15 ? 531 ARG A O 1 ATOM 1424 C CB . ARG A 1 190 ? 15.723 -12.156 7.986 1.00 23.57 ? 531 ARG A CB 1 ATOM 1425 C CG . ARG A 1 190 ? 16.157 -13.561 7.638 1.00 23.78 ? 531 ARG A CG 1 ATOM 1426 C CD . ARG A 1 190 ? 17.371 -14.073 8.427 1.00 27.07 ? 531 ARG A CD 1 ATOM 1427 N NE . ARG A 1 190 ? 17.845 -15.376 7.931 1.00 27.85 ? 531 ARG A NE 1 ATOM 1428 C CZ . ARG A 1 190 ? 19.053 -15.868 8.176 1.00 30.49 ? 531 ARG A CZ 1 ATOM 1429 N NH1 . ARG A 1 190 ? 19.907 -15.186 8.937 1.00 27.73 ? 531 ARG A NH1 1 ATOM 1430 N NH2 . ARG A 1 190 ? 19.403 -17.044 7.675 1.00 29.58 ? 531 ARG A NH2 1 ATOM 1431 N N . CYS A 1 191 ? 12.668 -12.387 8.884 1.00 23.36 ? 532 CYS A N 1 ATOM 1432 C CA . CYS A 1 191 ? 11.557 -13.162 9.418 1.00 23.97 ? 532 CYS A CA 1 ATOM 1433 C C . CYS A 1 191 ? 10.386 -13.152 8.401 1.00 23.90 ? 532 CYS A C 1 ATOM 1434 O O . CYS A 1 191 ? 9.677 -14.156 8.225 1.00 23.12 ? 532 CYS A O 1 ATOM 1435 C CB . CYS A 1 191 ? 11.173 -12.612 10.811 1.00 23.07 ? 532 CYS A CB 1 ATOM 1436 S SG . CYS A 1 191 ? 9.582 -13.063 11.520 1.00 24.60 ? 532 CYS A SG 1 ATOM 1437 N N . LEU A 1 192 ? 10.194 -12.028 7.725 1.00 23.96 ? 533 LEU A N 1 ATOM 1438 C CA . LEU A 1 192 ? 9.161 -11.962 6.706 1.00 24.95 ? 533 LEU A CA 1 ATOM 1439 C C . LEU A 1 192 ? 9.650 -12.669 5.415 1.00 25.77 ? 533 LEU A C 1 ATOM 1440 O O . LEU A 1 192 ? 8.970 -13.472 4.831 1.00 26.12 ? 533 LEU A O 1 ATOM 1441 C CB . LEU A 1 192 ? 8.820 -10.497 6.391 1.00 24.76 ? 533 LEU A CB 1 ATOM 1442 C CG . LEU A 1 192 ? 7.951 -10.259 5.132 1.00 24.99 ? 533 LEU A CG 1 ATOM 1443 C CD1 . LEU A 1 192 ? 6.504 -10.651 5.406 1.00 24.37 ? 533 LEU A CD1 1 ATOM 1444 C CD2 . LEU A 1 192 ? 8.044 -8.763 4.708 1.00 21.90 ? 533 LEU A CD2 1 ATOM 1445 N N . ALA A 1 193 ? 10.859 -12.367 5.004 1.00 26.48 ? 534 ALA A N 1 ATOM 1446 C CA . ALA A 1 193 ? 11.386 -12.908 3.783 1.00 28.36 ? 534 ALA A CA 1 ATOM 1447 C C . ALA A 1 193 ? 11.360 -14.448 3.752 1.00 28.65 ? 534 ALA A C 1 ATOM 1448 O O . ALA A 1 193 ? 11.166 -15.036 2.697 1.00 29.08 ? 534 ALA A O 1 ATOM 1449 C CB . ALA A 1 193 ? 12.798 -12.376 3.566 1.00 27.82 ? 534 ALA A CB 1 ATOM 1450 N N . GLU A 1 194 ? 11.532 -15.081 4.911 1.00 28.22 ? 535 GLU A N 1 ATOM 1451 C CA . GLU A 1 194 ? 11.616 -16.521 5.000 1.00 29.01 ? 535 GLU A CA 1 ATOM 1452 C C . GLU A 1 194 ? 10.240 -17.078 5.262 1.00 28.87 ? 535 GLU A C 1 ATOM 1453 O O . GLU A 1 194 ? 10.093 -18.268 5.538 1.00 29.31 ? 535 GLU A O 1 ATOM 1454 C CB . GLU A 1 194 ? 12.565 -16.920 6.152 1.00 29.02 ? 535 GLU A CB 1 ATOM 1455 C CG . GLU A 1 194 ? 14.018 -16.716 5.795 1.00 31.77 ? 535 GLU A CG 1 ATOM 1456 C CD . GLU A 1 194 ? 15.008 -17.149 6.868 1.00 34.15 ? 535 GLU A CD 1 ATOM 1457 O OE1 . GLU A 1 194 ? 14.638 -17.541 8.000 1.00 35.49 ? 535 GLU A OE1 1 ATOM 1458 O OE2 . GLU A 1 194 ? 16.192 -17.112 6.556 1.00 35.50 ? 535 GLU A OE2 1 ATOM 1459 N N . ASP A 1 195 ? 9.249 -16.195 5.268 1.00 28.74 ? 536 ASP A N 1 ATOM 1460 C CA . ASP A 1 195 ? 7.849 -16.574 5.473 1.00 29.28 ? 536 ASP A CA 1 ATOM 1461 C C . ASP A 1 195 ? 7.584 -17.196 6.820 1.00 28.35 ? 536 ASP A C 1 ATOM 1462 O O . ASP A 1 195 ? 6.666 -17.980 6.965 1.00 27.97 ? 536 ASP A O 1 ATOM 1463 C CB . ASP A 1 195 ? 7.308 -17.499 4.354 1.00 30.25 ? 536 ASP A CB 1 ATOM 1464 C CG . ASP A 1 195 ? 7.296 -16.808 3.002 1.00 32.10 ? 536 ASP A CG 1 ATOM 1465 O OD1 . ASP A 1 195 ? 6.749 -15.690 2.929 1.00 35.26 ? 536 ASP A OD1 1 ATOM 1466 O OD2 . ASP A 1 195 ? 7.844 -17.270 1.981 1.00 37.11 ? 536 ASP A OD2 1 ATOM 1467 N N . VAL A 1 196 ? 8.356 -16.805 7.820 1.00 26.81 ? 537 VAL A N 1 ATOM 1468 C CA . VAL A 1 196 ? 8.055 -17.205 9.182 1.00 25.88 ? 537 VAL A CA 1 ATOM 1469 C C . VAL A 1 196 ? 6.892 -16.334 9.649 1.00 25.39 ? 537 VAL A C 1 ATOM 1470 O O . VAL A 1 196 ? 5.979 -16.798 10.335 1.00 24.13 ? 537 VAL A O 1 ATOM 1471 C CB . VAL A 1 196 ? 9.301 -16.987 10.058 1.00 27.36 ? 537 VAL A CB 1 ATOM 1472 C CG1 . VAL A 1 196 ? 8.997 -17.179 11.553 1.00 27.37 ? 537 VAL A CG1 1 ATOM 1473 C CG2 . VAL A 1 196 ? 10.397 -17.948 9.590 1.00 27.02 ? 537 VAL A CG2 1 ATOM 1474 N N . GLY A 1 197 ? 6.919 -15.042 9.304 1.00 24.54 ? 538 GLY A N 1 ATOM 1475 C CA . GLY A 1 197 ? 5.818 -14.197 9.715 1.00 23.82 ? 538 GLY A CA 1 ATOM 1476 C C . GLY A 1 197 ? 5.060 -13.730 8.489 1.00 23.89 ? 538 GLY A C 1 ATOM 1477 O O . GLY A 1 197 ? 5.557 -13.856 7.372 1.00 24.88 ? 538 GLY A O 1 ATOM 1478 N N . ASP A 1 198 ? 3.861 -13.186 8.683 1.00 24.52 ? 539 ASP A N 1 ATOM 1479 C CA . ASP A 1 198 ? 3.094 -12.574 7.571 1.00 24.39 ? 539 ASP A CA 1 ATOM 1480 C C . ASP A 1 198 ? 3.424 -11.096 7.308 1.00 25.14 ? 539 ASP A C 1 ATOM 1481 O O . ASP A 1 198 ? 3.239 -10.564 6.180 1.00 24.08 ? 539 ASP A O 1 ATOM 1482 C CB . ASP A 1 198 ? 1.624 -12.633 7.914 1.00 25.00 ? 539 ASP A CB 1 ATOM 1483 C CG . ASP A 1 198 ? 1.126 -14.061 8.015 1.00 26.25 ? 539 ASP A CG 1 ATOM 1484 O OD1 . ASP A 1 198 ? 1.303 -14.802 7.031 1.00 27.61 ? 539 ASP A OD1 1 ATOM 1485 O OD2 . ASP A 1 198 ? 0.605 -14.519 9.031 1.00 26.36 ? 539 ASP A OD2 1 ATOM 1486 N N . VAL A 1 199 ? 3.853 -10.416 8.373 1.00 24.82 ? 540 VAL A N 1 ATOM 1487 C CA . VAL A 1 199 ? 4.123 -8.990 8.330 1.00 24.28 ? 540 VAL A CA 1 ATOM 1488 C C . VAL A 1 199 ? 5.367 -8.634 9.148 1.00 24.07 ? 540 VAL A C 1 ATOM 1489 O O . VAL A 1 199 ? 5.627 -9.246 10.182 1.00 23.76 ? 540 VAL A O 1 ATOM 1490 C CB . VAL A 1 199 ? 2.901 -8.180 8.850 1.00 24.91 ? 540 VAL A CB 1 ATOM 1491 C CG1 . VAL A 1 199 ? 2.549 -8.535 10.309 1.00 25.99 ? 540 VAL A CG1 1 ATOM 1492 C CG2 . VAL A 1 199 ? 3.145 -6.670 8.711 1.00 23.46 ? 540 VAL A CG2 1 ATOM 1493 N N . ALA A 1 200 ? 6.143 -7.663 8.653 1.00 23.94 ? 541 ALA A N 1 ATOM 1494 C CA . ALA A 1 200 ? 7.302 -7.159 9.363 1.00 22.75 ? 541 ALA A CA 1 ATOM 1495 C C . ALA A 1 200 ? 7.123 -5.646 9.580 1.00 22.84 ? 541 ALA A C 1 ATOM 1496 O O . ALA A 1 200 ? 6.649 -4.923 8.705 1.00 20.87 ? 541 ALA A O 1 ATOM 1497 C CB . ALA A 1 200 ? 8.578 -7.433 8.624 1.00 22.78 ? 541 ALA A CB 1 ATOM 1498 N N . PHE A 1 201 ? 7.439 -5.216 10.793 1.00 22.33 ? 542 PHE A N 1 ATOM 1499 C CA . PHE A 1 201 ? 7.361 -3.813 11.173 1.00 22.06 ? 542 PHE A CA 1 ATOM 1500 C C . PHE A 1 201 ? 8.774 -3.325 11.236 1.00 22.97 ? 542 PHE A C 1 ATOM 1501 O O . PHE A 1 201 ? 9.528 -3.660 12.163 1.00 22.97 ? 542 PHE A O 1 ATOM 1502 C CB . PHE A 1 201 ? 6.642 -3.694 12.502 1.00 22.46 ? 542 PHE A CB 1 ATOM 1503 C CG . PHE A 1 201 ? 5.196 -4.143 12.432 1.00 23.31 ? 542 PHE A CG 1 ATOM 1504 C CD1 . PHE A 1 201 ? 4.245 -3.380 11.720 1.00 21.82 ? 542 PHE A CD1 1 ATOM 1505 C CD2 . PHE A 1 201 ? 4.800 -5.338 12.992 1.00 21.81 ? 542 PHE A CD2 1 ATOM 1506 C CE1 . PHE A 1 201 ? 2.926 -3.777 11.635 1.00 21.66 ? 542 PHE A CE1 1 ATOM 1507 C CE2 . PHE A 1 201 ? 3.447 -5.739 12.912 1.00 25.23 ? 542 PHE A CE2 1 ATOM 1508 C CZ . PHE A 1 201 ? 2.512 -4.941 12.235 1.00 22.91 ? 542 PHE A CZ 1 ATOM 1509 N N . VAL A 1 202 ? 9.152 -2.582 10.194 1.00 22.61 ? 543 VAL A N 1 ATOM 1510 C CA . VAL A 1 202 ? 10.512 -2.130 10.032 1.00 22.42 ? 543 VAL A CA 1 ATOM 1511 C C . VAL A 1 202 ? 10.462 -0.712 9.500 1.00 22.38 ? 543 VAL A C 1 ATOM 1512 O O . VAL A 1 202 ? 9.451 -0.021 9.643 1.00 22.71 ? 543 VAL A O 1 ATOM 1513 C CB . VAL A 1 202 ? 11.289 -3.048 9.068 1.00 22.89 ? 543 VAL A CB 1 ATOM 1514 C CG1 . VAL A 1 202 ? 11.441 -4.466 9.672 1.00 23.85 ? 543 VAL A CG1 1 ATOM 1515 C CG2 . VAL A 1 202 ? 10.554 -3.188 7.722 1.00 23.02 ? 543 VAL A CG2 1 ATOM 1516 N N . LYS A 1 203 ? 11.543 -0.279 8.895 1.00 23.31 ? 544 LYS A N 1 ATOM 1517 C CA . LYS A 1 203 ? 11.568 1.045 8.309 1.00 23.92 ? 544 LYS A CA 1 ATOM 1518 C C . LYS A 1 203 ? 11.729 0.900 6.816 1.00 23.95 ? 544 LYS A C 1 ATOM 1519 O O . LYS A 1 203 ? 12.135 -0.157 6.292 1.00 23.44 ? 544 LYS A O 1 ATOM 1520 C CB . LYS A 1 203 ? 12.696 1.896 8.925 1.00 24.13 ? 544 LYS A CB 1 ATOM 1521 C CG . LYS A 1 203 ? 14.113 1.386 8.641 1.00 24.23 ? 544 LYS A CG 1 ATOM 1522 C CD . LYS A 1 203 ? 15.160 2.311 9.247 1.00 26.35 ? 544 LYS A CD 1 ATOM 1523 C CE . LYS A 1 203 ? 16.511 1.663 9.169 1.00 24.09 ? 544 LYS A CE 1 ATOM 1524 N NZ . LYS A 1 203 ? 17.526 2.589 9.672 1.00 27.47 ? 544 LYS A NZ 1 ATOM 1525 N N . ASN A 1 204 ? 11.436 1.980 6.117 1.00 24.84 ? 545 ASN A N 1 ATOM 1526 C CA . ASN A 1 204 ? 11.443 1.958 4.650 1.00 24.75 ? 545 ASN A CA 1 ATOM 1527 C C . ASN A 1 204 ? 12.798 1.534 4.111 1.00 24.92 ? 545 ASN A C 1 ATOM 1528 O O . ASN A 1 204 ? 12.882 0.706 3.204 1.00 25.00 ? 545 ASN A O 1 ATOM 1529 C CB . ASN A 1 204 ? 11.086 3.372 4.116 1.00 25.10 ? 545 ASN A CB 1 ATOM 1530 C CG . ASN A 1 204 ? 11.654 3.623 2.719 1.00 26.97 ? 545 ASN A CG 1 ATOM 1531 O OD1 . ASN A 1 204 ? 11.270 2.944 1.754 1.00 24.09 ? 545 ASN A OD1 1 ATOM 1532 N ND2 . ASN A 1 204 ? 12.631 4.553 2.624 1.00 30.16 ? 545 ASN A ND2 1 ATOM 1533 N N . ASP A 1 205 ? 13.855 2.065 4.700 1.00 23.46 ? 546 ASP A N 1 ATOM 1534 C CA . ASP A 1 205 ? 15.195 1.772 4.226 1.00 25.14 ? 546 ASP A CA 1 ATOM 1535 C C . ASP A 1 205 ? 15.557 0.284 4.231 1.00 23.87 ? 546 ASP A C 1 ATOM 1536 O O . ASP A 1 205 ? 16.299 -0.184 3.372 1.00 22.62 ? 546 ASP A O 1 ATOM 1537 C CB . ASP A 1 205 ? 16.228 2.513 5.070 1.00 25.47 ? 546 ASP A CB 1 ATOM 1538 C CG . ASP A 1 205 ? 15.909 4.007 5.181 1.00 30.21 ? 546 ASP A CG 1 ATOM 1539 O OD1 . ASP A 1 205 ? 15.119 4.400 6.045 1.00 32.38 ? 546 ASP A OD1 1 ATOM 1540 O OD2 . ASP A 1 205 ? 16.362 4.840 4.396 1.00 32.13 ? 546 ASP A OD2 1 ATOM 1541 N N . THR A 1 206 ? 15.068 -0.427 5.227 1.00 23.56 ? 547 THR A N 1 ATOM 1542 C CA . THR A 1 206 ? 15.373 -1.860 5.356 1.00 23.47 ? 547 THR A CA 1 ATOM 1543 C C . THR A 1 206 ? 14.997 -2.670 4.096 1.00 23.93 ? 547 THR A C 1 ATOM 1544 O O . THR A 1 206 ? 15.737 -3.559 3.692 1.00 23.64 ? 547 THR A O 1 ATOM 1545 C CB . THR A 1 206 ? 14.625 -2.426 6.580 1.00 22.93 ? 547 THR A CB 1 ATOM 1546 O OG1 . THR A 1 206 ? 14.992 -1.652 7.740 1.00 22.31 ? 547 THR A OG1 1 ATOM 1547 C CG2 . THR A 1 206 ? 15.094 -3.861 6.913 1.00 21.31 ? 547 THR A CG2 1 ATOM 1548 N N . VAL A 1 207 ? 13.823 -2.414 3.538 1.00 24.74 ? 548 VAL A N 1 ATOM 1549 C CA . VAL A 1 207 ? 13.397 -3.081 2.315 1.00 26.98 ? 548 VAL A CA 1 ATOM 1550 C C . VAL A 1 207 ? 14.380 -2.870 1.168 1.00 27.54 ? 548 VAL A C 1 ATOM 1551 O O . VAL A 1 207 ? 14.772 -3.812 0.513 1.00 27.82 ? 548 VAL A O 1 ATOM 1552 C CB . VAL A 1 207 ? 12.025 -2.580 1.862 1.00 27.48 ? 548 VAL A CB 1 ATOM 1553 C CG1 . VAL A 1 207 ? 11.584 -3.422 0.659 1.00 29.48 ? 548 VAL A CG1 1 ATOM 1554 C CG2 . VAL A 1 207 ? 11.060 -2.829 2.962 1.00 29.52 ? 548 VAL A CG2 1 ATOM 1555 N N . TRP A 1 208 ? 14.763 -1.606 0.923 1.00 28.74 ? 549 TRP A N 1 ATOM 1556 C CA . TRP A 1 208 ? 15.679 -1.292 -0.178 1.00 30.31 ? 549 TRP A CA 1 ATOM 1557 C C . TRP A 1 208 ? 17.057 -1.909 0.021 1.00 31.02 ? 549 TRP A C 1 ATOM 1558 O O . TRP A 1 208 ? 17.669 -2.413 -0.927 1.00 31.35 ? 549 TRP A O 1 ATOM 1559 C CB . TRP A 1 208 ? 15.775 0.250 -0.346 1.00 29.81 ? 549 TRP A CB 1 ATOM 1560 C CG . TRP A 1 208 ? 14.460 0.825 -0.760 1.00 31.83 ? 549 TRP A CG 1 ATOM 1561 C CD1 . TRP A 1 208 ? 13.369 1.054 0.025 1.00 32.44 ? 549 TRP A CD1 1 ATOM 1562 C CD2 . TRP A 1 208 ? 14.087 1.200 -2.078 1.00 35.27 ? 549 TRP A CD2 1 ATOM 1563 N NE1 . TRP A 1 208 ? 12.338 1.562 -0.726 1.00 34.21 ? 549 TRP A NE1 1 ATOM 1564 C CE2 . TRP A 1 208 ? 12.750 1.652 -2.028 1.00 36.47 ? 549 TRP A CE2 1 ATOM 1565 C CE3 . TRP A 1 208 ? 14.747 1.195 -3.315 1.00 36.22 ? 549 TRP A CE3 1 ATOM 1566 C CZ2 . TRP A 1 208 ? 12.065 2.099 -3.165 1.00 38.89 ? 549 TRP A CZ2 1 ATOM 1567 C CZ3 . TRP A 1 208 ? 14.072 1.653 -4.441 1.00 37.03 ? 549 TRP A CZ3 1 ATOM 1568 C CH2 . TRP A 1 208 ? 12.748 2.095 -4.359 1.00 38.98 ? 549 TRP A CH2 1 ATOM 1569 N N . GLU A 1 209 ? 17.525 -1.929 1.268 1.00 31.54 ? 550 GLU A N 1 ATOM 1570 C CA . GLU A 1 209 ? 18.886 -2.376 1.573 1.00 32.49 ? 550 GLU A CA 1 ATOM 1571 C C . GLU A 1 209 ? 19.038 -3.868 1.531 1.00 32.01 ? 550 GLU A C 1 ATOM 1572 O O . GLU A 1 209 ? 20.148 -4.389 1.451 1.00 32.22 ? 550 GLU A O 1 ATOM 1573 C CB . GLU A 1 209 ? 19.369 -1.795 2.910 1.00 32.93 ? 550 GLU A CB 1 ATOM 1574 C CG . GLU A 1 209 ? 19.598 -0.295 2.757 1.00 37.40 ? 550 GLU A CG 1 ATOM 1575 C CD . GLU A 1 209 ? 19.903 0.435 4.051 1.00 41.54 ? 550 GLU A CD 1 ATOM 1576 O OE1 . GLU A 1 209 ? 20.072 -0.232 5.101 1.00 42.61 ? 550 GLU A OE1 1 ATOM 1577 O OE2 . GLU A 1 209 ? 19.965 1.696 3.982 1.00 43.37 ? 550 GLU A OE2 1 ATOM 1578 N N . ASN A 1 210 ? 17.911 -4.555 1.548 1.00 32.05 ? 551 ASN A N 1 ATOM 1579 C CA . ASN A 1 210 ? 17.976 -6.000 1.529 1.00 33.01 ? 551 ASN A CA 1 ATOM 1580 C C . ASN A 1 210 ? 17.354 -6.674 0.331 1.00 32.52 ? 551 ASN A C 1 ATOM 1581 O O . ASN A 1 210 ? 17.011 -7.847 0.396 1.00 31.89 ? 551 ASN A O 1 ATOM 1582 C CB . ASN A 1 210 ? 17.451 -6.582 2.844 1.00 32.41 ? 551 ASN A CB 1 ATOM 1583 C CG . ASN A 1 210 ? 18.320 -6.171 4.003 1.00 34.65 ? 551 ASN A CG 1 ATOM 1584 O OD1 . ASN A 1 210 ? 19.420 -6.700 4.152 1.00 35.63 ? 551 ASN A OD1 1 ATOM 1585 N ND2 . ASN A 1 210 ? 17.882 -5.165 4.779 1.00 31.97 ? 551 ASN A ND2 1 ATOM 1586 N N . THR A 1 211 ? 17.210 -5.934 -0.763 1.00 32.53 ? 552 THR A N 1 ATOM 1587 C CA . THR A 1 211 ? 16.612 -6.506 -1.993 1.00 32.62 ? 552 THR A CA 1 ATOM 1588 C C . THR A 1 211 ? 17.388 -6.098 -3.249 1.00 34.33 ? 552 THR A C 1 ATOM 1589 O O . THR A 1 211 ? 18.264 -5.212 -3.209 1.00 33.86 ? 552 THR A O 1 ATOM 1590 C CB . THR A 1 211 ? 15.147 -6.042 -2.169 1.00 32.07 ? 552 THR A CB 1 ATOM 1591 O OG1 . THR A 1 211 ? 15.089 -4.626 -1.998 1.00 31.72 ? 552 THR A OG1 1 ATOM 1592 C CG2 . THR A 1 211 ? 14.239 -6.576 -1.073 1.00 29.42 ? 552 THR A CG2 1 ATOM 1593 N N . ASN A 1 212 ? 17.056 -6.757 -4.359 1.00 36.12 ? 553 ASN A N 1 ATOM 1594 C CA . ASN A 1 212 ? 17.626 -6.443 -5.667 1.00 38.14 ? 553 ASN A CA 1 ATOM 1595 C C . ASN A 1 212 ? 19.143 -6.395 -5.688 1.00 38.55 ? 553 ASN A C 1 ATOM 1596 O O . ASN A 1 212 ? 19.709 -5.507 -6.312 1.00 39.71 ? 553 ASN A O 1 ATOM 1597 C CB . ASN A 1 212 ? 17.059 -5.109 -6.198 1.00 38.00 ? 553 ASN A CB 1 ATOM 1598 C CG . ASN A 1 212 ? 15.580 -5.195 -6.556 1.00 41.05 ? 553 ASN A CG 1 ATOM 1599 O OD1 . ASN A 1 212 ? 14.778 -5.814 -5.850 1.00 45.32 ? 553 ASN A OD1 1 ATOM 1600 N ND2 . ASN A 1 212 ? 15.207 -4.562 -7.656 1.00 44.86 ? 553 ASN A ND2 1 ATOM 1601 N N . GLY A 1 213 ? 19.796 -7.326 -4.994 1.00 38.90 ? 554 GLY A N 1 ATOM 1602 C CA . GLY A 1 213 ? 21.248 -7.381 -4.951 1.00 39.41 ? 554 GLY A CA 1 ATOM 1603 C C . GLY A 1 213 ? 21.983 -6.447 -3.988 1.00 40.10 ? 554 GLY A C 1 ATOM 1604 O O . GLY A 1 213 ? 23.194 -6.508 -3.893 1.00 39.78 ? 554 GLY A O 1 ATOM 1605 N N . GLU A 1 214 ? 21.270 -5.599 -3.256 1.00 40.98 ? 555 GLU A N 1 ATOM 1606 C CA . GLU A 1 214 ? 21.946 -4.650 -2.346 1.00 41.97 ? 555 GLU A CA 1 ATOM 1607 C C . GLU A 1 214 ? 22.581 -5.405 -1.177 1.00 42.25 ? 555 GLU A C 1 ATOM 1608 O O . GLU A 1 214 ? 23.543 -4.948 -0.544 1.00 41.74 ? 555 GLU A O 1 ATOM 1609 C CB . GLU A 1 214 ? 20.975 -3.589 -1.828 1.00 41.61 ? 555 GLU A CB 1 ATOM 1610 C CG . GLU A 1 214 ? 20.518 -2.607 -2.891 1.00 44.42 ? 555 GLU A CG 1 ATOM 1611 C CD . GLU A 1 214 ? 21.616 -1.633 -3.275 1.00 48.78 ? 555 GLU A CD 1 ATOM 1612 O OE1 . GLU A 1 214 ? 22.349 -1.145 -2.380 1.00 49.50 ? 555 GLU A OE1 1 ATOM 1613 O OE2 . GLU A 1 214 ? 21.760 -1.367 -4.480 1.00 52.62 ? 555 GLU A OE2 1 ATOM 1614 N N . SER A 1 215 ? 22.025 -6.566 -0.887 1.00 42.28 ? 556 SER A N 1 ATOM 1615 C CA . SER A 1 215 ? 22.592 -7.383 0.152 1.00 43.15 ? 556 SER A CA 1 ATOM 1616 C C . SER A 1 215 ? 23.069 -8.681 -0.470 1.00 44.09 ? 556 SER A C 1 ATOM 1617 O O . SER A 1 215 ? 22.399 -9.294 -1.299 1.00 44.30 ? 556 SER A O 1 ATOM 1618 C CB . SER A 1 215 ? 21.587 -7.636 1.271 1.00 42.89 ? 556 SER A CB 1 ATOM 1619 O OG . SER A 1 215 ? 22.129 -8.522 2.236 1.00 43.66 ? 556 SER A OG 1 ATOM 1620 N N . THR A 1 216 ? 24.233 -9.103 -0.033 1.00 45.23 ? 557 THR A N 1 ATOM 1621 C CA . THR A 1 216 ? 24.875 -10.249 -0.593 1.00 46.74 ? 557 THR A CA 1 ATOM 1622 C C . THR A 1 216 ? 24.648 -11.485 0.275 1.00 46.68 ? 557 THR A C 1 ATOM 1623 O O . THR A 1 216 ? 25.044 -12.594 -0.081 1.00 46.77 ? 557 THR A O 1 ATOM 1624 C CB . THR A 1 216 ? 26.372 -9.910 -0.768 1.00 47.42 ? 557 THR A CB 1 ATOM 1625 O OG1 . THR A 1 216 ? 26.974 -10.850 -1.659 1.00 49.87 ? 557 THR A OG1 1 ATOM 1626 C CG2 . THR A 1 216 ? 27.141 -10.078 0.551 1.00 48.16 ? 557 THR A CG2 1 ATOM 1627 N N . ALA A 1 217 ? 23.971 -11.284 1.401 1.00 46.60 ? 558 ALA A N 1 ATOM 1628 C CA . ALA A 1 217 ? 23.621 -12.355 2.320 1.00 45.90 ? 558 ALA A CA 1 ATOM 1629 C C . ALA A 1 217 ? 22.711 -13.361 1.648 1.00 45.48 ? 558 ALA A C 1 ATOM 1630 O O . ALA A 1 217 ? 21.810 -13.009 0.888 1.00 45.47 ? 558 ALA A O 1 ATOM 1631 C CB . ALA A 1 217 ? 22.947 -11.790 3.547 1.00 46.34 ? 558 ALA A CB 1 ATOM 1632 N N . ASP A 1 218 ? 22.973 -14.619 1.980 1.00 44.57 ? 559 ASP A N 1 ATOM 1633 C CA . ASP A 1 218 ? 22.311 -15.816 1.472 1.00 43.64 ? 559 ASP A CA 1 ATOM 1634 C C . ASP A 1 218 ? 20.777 -15.832 1.471 1.00 42.38 ? 559 ASP A C 1 ATOM 1635 O O . ASP A 1 218 ? 20.143 -16.369 0.546 1.00 41.45 ? 559 ASP A O 1 ATOM 1636 C CB . ASP A 1 218 ? 22.824 -16.973 2.328 1.00 44.53 ? 559 ASP A CB 1 ATOM 1637 C CG . ASP A 1 218 ? 23.277 -16.496 3.707 1.00 48.56 ? 559 ASP A CG 1 ATOM 1638 O OD1 . ASP A 1 218 ? 22.405 -16.464 4.633 1.00 51.20 ? 559 ASP A OD1 1 ATOM 1639 O OD2 . ASP A 1 218 ? 24.458 -16.082 3.936 1.00 51.24 ? 559 ASP A OD2 1 ATOM 1640 N N . TRP A 1 219 ? 20.185 -15.284 2.525 1.00 40.08 ? 560 TRP A N 1 ATOM 1641 C CA . TRP A 1 219 ? 18.734 -15.246 2.633 1.00 38.03 ? 560 TRP A CA 1 ATOM 1642 C C . TRP A 1 219 ? 18.166 -14.089 1.810 1.00 36.89 ? 560 TRP A C 1 ATOM 1643 O O . TRP A 1 219 ? 16.991 -14.114 1.451 1.00 37.36 ? 560 TRP A O 1 ATOM 1644 C CB . TRP A 1 219 ? 18.290 -15.107 4.097 1.00 36.95 ? 560 TRP A CB 1 ATOM 1645 C CG . TRP A 1 219 ? 18.774 -13.859 4.788 1.00 34.26 ? 560 TRP A CG 1 ATOM 1646 C CD1 . TRP A 1 219 ? 19.908 -13.719 5.533 1.00 32.46 ? 560 TRP A CD1 1 ATOM 1647 C CD2 . TRP A 1 219 ? 18.112 -12.594 4.840 1.00 32.47 ? 560 TRP A CD2 1 ATOM 1648 N NE1 . TRP A 1 219 ? 20.005 -12.440 6.024 1.00 33.43 ? 560 TRP A NE1 1 ATOM 1649 C CE2 . TRP A 1 219 ? 18.905 -11.732 5.622 1.00 33.47 ? 560 TRP A CE2 1 ATOM 1650 C CE3 . TRP A 1 219 ? 16.922 -12.103 4.314 1.00 32.06 ? 560 TRP A CE3 1 ATOM 1651 C CZ2 . TRP A 1 219 ? 18.555 -10.411 5.872 1.00 33.30 ? 560 TRP A CZ2 1 ATOM 1652 C CZ3 . TRP A 1 219 ? 16.577 -10.784 4.568 1.00 31.75 ? 560 TRP A CZ3 1 ATOM 1653 C CH2 . TRP A 1 219 ? 17.394 -9.958 5.339 1.00 32.71 ? 560 TRP A CH2 1 ATOM 1654 N N . ALA A 1 220 ? 19.015 -13.088 1.477 1.00 36.09 ? 561 ALA A N 1 ATOM 1655 C CA . ALA A 1 220 ? 18.555 -11.853 0.777 1.00 36.53 ? 561 ALA A CA 1 ATOM 1656 C C . ALA A 1 220 ? 18.960 -11.635 -0.692 1.00 37.13 ? 561 ALA A C 1 ATOM 1657 O O . ALA A 1 220 ? 18.597 -10.650 -1.348 1.00 36.31 ? 561 ALA A O 1 ATOM 1658 C CB . ALA A 1 220 ? 19.000 -10.648 1.583 1.00 35.13 ? 561 ALA A CB 1 ATOM 1659 N N . LYS A 1 221 ? 19.680 -12.610 -1.136 1.00 38.29 ? 562 LYS A N 1 ATOM 1660 C CA . LYS A 1 221 ? 20.252 -12.717 -2.451 1.00 39.37 ? 562 LYS A CA 1 ATOM 1661 C C . LYS A 1 221 ? 19.257 -12.536 -3.537 1.00 38.71 ? 562 LYS A C 1 ATOM 1662 O O . LYS A 1 221 ? 19.377 -11.678 -4.419 1.00 39.94 ? 562 LYS A O 1 ATOM 1663 C CB . LYS A 1 221 ? 20.836 -14.120 -2.671 1.00 39.37 ? 562 LYS A CB 1 ATOM 1664 C CG . LYS A 1 221 ? 22.298 -14.225 -2.350 1.00 41.73 ? 562 LYS A CG 1 ATOM 1665 C CD . LYS A 1 221 ? 22.938 -15.298 -3.227 1.00 44.58 ? 562 LYS A CD 1 ATOM 1666 C CE . LYS A 1 221 ? 22.586 -16.704 -2.756 1.00 46.62 ? 562 LYS A CE 1 ATOM 1667 N NZ . LYS A 1 221 ? 23.794 -17.482 -2.371 1.00 47.08 ? 562 LYS A NZ 1 ATOM 1668 N N . ASN A 1 222 ? 18.281 -13.369 -3.473 1.00 38.04 ? 563 ASN A N 1 ATOM 1669 C CA . ASN A 1 222 ? 17.315 -13.411 -4.519 1.00 37.75 ? 563 ASN A CA 1 ATOM 1670 C C . ASN A 1 222 ? 16.069 -12.622 -4.203 1.00 37.70 ? 563 ASN A C 1 ATOM 1671 O O . ASN A 1 222 ? 15.024 -12.836 -4.824 1.00 37.58 ? 563 ASN A O 1 ATOM 1672 C CB . ASN A 1 222 ? 16.929 -14.846 -4.792 1.00 39.12 ? 563 ASN A CB 1 ATOM 1673 C CG . ASN A 1 222 ? 17.981 -15.532 -5.648 1.00 41.28 ? 563 ASN A CG 1 ATOM 1674 O OD1 . ASN A 1 222 ? 18.230 -15.107 -6.777 1.00 43.19 ? 563 ASN A OD1 1 ATOM 1675 N ND2 . ASN A 1 222 ? 18.585 -16.604 -5.124 1.00 43.33 ? 563 ASN A ND2 1 ATOM 1676 N N . LEU A 1 223 ? 16.128 -11.719 -3.223 1.00 35.70 ? 564 LEU A N 1 ATOM 1677 C CA . LEU A 1 223 ? 14.930 -10.962 -2.923 1.00 35.22 ? 564 LEU A CA 1 ATOM 1678 C C . LEU A 1 223 ? 14.761 -9.798 -3.894 1.00 35.17 ? 564 LEU A C 1 ATOM 1679 O O . LEU A 1 223 ? 15.694 -9.051 -4.164 1.00 34.49 ? 564 LEU A O 1 ATOM 1680 C CB . LEU A 1 223 ? 14.931 -10.452 -1.471 1.00 34.33 ? 564 LEU A CB 1 ATOM 1681 C CG . LEU A 1 223 ? 15.011 -11.515 -0.376 1.00 34.14 ? 564 LEU A CG 1 ATOM 1682 C CD1 . LEU A 1 223 ? 14.957 -10.769 0.979 1.00 31.33 ? 564 LEU A CD1 1 ATOM 1683 C CD2 . LEU A 1 223 ? 13.871 -12.548 -0.536 1.00 31.82 ? 564 LEU A CD2 1 ATOM 1684 N N . LYS A 1 224 ? 13.532 -9.656 -4.370 1.00 35.59 ? 565 LYS A N 1 ATOM 1685 C CA . LYS A 1 224 ? 13.142 -8.616 -5.295 1.00 36.70 ? 565 LYS A CA 1 ATOM 1686 C C . LYS A 1 224 ? 12.113 -7.674 -4.656 1.00 36.19 ? 565 LYS A C 1 ATOM 1687 O O . LYS A 1 224 ? 11.122 -8.121 -4.107 1.00 36.18 ? 565 LYS A O 1 ATOM 1688 C CB . LYS A 1 224 ? 12.513 -9.284 -6.520 1.00 36.72 ? 565 LYS A CB 1 ATOM 1689 C CG . LYS A 1 224 ? 12.588 -8.478 -7.787 1.00 39.53 ? 565 LYS A CG 1 ATOM 1690 C CD . LYS A 1 224 ? 11.566 -7.356 -7.840 1.00 41.16 ? 565 LYS A CD 1 ATOM 1691 C CE . LYS A 1 224 ? 12.254 -6.005 -7.777 1.00 43.94 ? 565 LYS A CE 1 ATOM 1692 N NZ . LYS A 1 224 ? 11.588 -4.943 -8.576 1.00 45.99 ? 565 LYS A NZ 1 ATOM 1693 N N . ARG A 1 225 ? 12.346 -6.372 -4.755 1.00 36.79 ? 566 ARG A N 1 ATOM 1694 C CA . ARG A 1 225 ? 11.407 -5.361 -4.274 1.00 37.34 ? 566 ARG A CA 1 ATOM 1695 C C . ARG A 1 225 ? 9.971 -5.577 -4.710 1.00 37.80 ? 566 ARG A C 1 ATOM 1696 O O . ARG A 1 225 ? 9.042 -5.326 -3.943 1.00 36.83 ? 566 ARG A O 1 ATOM 1697 C CB . ARG A 1 225 ? 11.804 -3.991 -4.818 1.00 38.15 ? 566 ARG A CB 1 ATOM 1698 C CG . ARG A 1 225 ? 12.604 -3.188 -3.878 1.00 40.35 ? 566 ARG A CG 1 ATOM 1699 C CD . ARG A 1 225 ? 13.545 -2.227 -4.538 1.00 40.12 ? 566 ARG A CD 1 ATOM 1700 N NE . ARG A 1 225 ? 14.848 -2.400 -3.918 1.00 41.20 ? 566 ARG A NE 1 ATOM 1701 C CZ . ARG A 1 225 ? 15.976 -1.906 -4.400 1.00 43.52 ? 566 ARG A CZ 1 ATOM 1702 N NH1 . ARG A 1 225 ? 15.964 -1.191 -5.531 1.00 40.84 ? 566 ARG A NH1 1 ATOM 1703 N NH2 . ARG A 1 225 ? 17.110 -2.121 -3.742 1.00 39.88 ? 566 ARG A NH2 1 ATOM 1704 N N . GLU A 1 226 ? 9.773 -5.986 -5.963 1.00 37.38 ? 567 GLU A N 1 ATOM 1705 C CA . GLU A 1 226 ? 8.410 -6.152 -6.470 1.00 37.66 ? 567 GLU A CA 1 ATOM 1706 C C . GLU A 1 226 ? 7.660 -7.276 -5.755 1.00 36.33 ? 567 GLU A C 1 ATOM 1707 O O . GLU A 1 226 ? 6.445 -7.362 -5.830 1.00 36.00 ? 567 GLU A O 1 ATOM 1708 C CB . GLU A 1 226 ? 8.416 -6.428 -7.971 1.00 38.54 ? 567 GLU A CB 1 ATOM 1709 C CG . GLU A 1 226 ? 7.539 -5.467 -8.789 1.00 43.68 ? 567 GLU A CG 1 ATOM 1710 C CD . GLU A 1 226 ? 6.076 -5.471 -8.378 1.00 47.86 ? 567 GLU A CD 1 ATOM 1711 O OE1 . GLU A 1 226 ? 5.403 -6.538 -8.506 1.00 49.36 ? 567 GLU A OE1 1 ATOM 1712 O OE2 . GLU A 1 226 ? 5.602 -4.397 -7.922 1.00 49.52 ? 567 GLU A OE2 1 ATOM 1713 N N . ASP A 1 227 ? 8.378 -8.147 -5.070 1.00 34.54 ? 568 ASP A N 1 ATOM 1714 C CA . ASP A 1 227 ? 7.686 -9.220 -4.367 1.00 34.02 ? 568 ASP A CA 1 ATOM 1715 C C . ASP A 1 227 ? 7.129 -8.779 -3.011 1.00 31.75 ? 568 ASP A C 1 ATOM 1716 O O . ASP A 1 227 ? 6.562 -9.575 -2.279 1.00 31.59 ? 568 ASP A O 1 ATOM 1717 C CB . ASP A 1 227 ? 8.611 -10.417 -4.194 1.00 34.31 ? 568 ASP A CB 1 ATOM 1718 C CG . ASP A 1 227 ? 8.937 -11.093 -5.523 1.00 37.54 ? 568 ASP A CG 1 ATOM 1719 O OD1 . ASP A 1 227 ? 8.248 -10.834 -6.536 1.00 38.87 ? 568 ASP A OD1 1 ATOM 1720 O OD2 . ASP A 1 227 ? 9.882 -11.891 -5.642 1.00 41.18 ? 568 ASP A OD2 1 ATOM 1721 N N . PHE A 1 228 ? 7.262 -7.497 -2.706 1.00 29.94 ? 569 PHE A N 1 ATOM 1722 C CA . PHE A 1 228 ? 6.817 -6.974 -1.435 1.00 29.03 ? 569 PHE A CA 1 ATOM 1723 C C . PHE A 1 228 ? 5.819 -5.841 -1.586 1.00 28.26 ? 569 PHE A C 1 ATOM 1724 O O . PHE A 1 228 ? 5.871 -5.105 -2.579 1.00 27.98 ? 569 PHE A O 1 ATOM 1725 C CB . PHE A 1 228 ? 8.052 -6.489 -0.642 1.00 28.51 ? 569 PHE A CB 1 ATOM 1726 C CG . PHE A 1 228 ? 8.950 -7.611 -0.197 1.00 27.55 ? 569 PHE A CG 1 ATOM 1727 C CD1 . PHE A 1 228 ? 8.646 -8.353 0.938 1.00 24.87 ? 569 PHE A CD1 1 ATOM 1728 C CD2 . PHE A 1 228 ? 10.069 -7.931 -0.909 1.00 28.01 ? 569 PHE A CD2 1 ATOM 1729 C CE1 . PHE A 1 228 ? 9.454 -9.378 1.354 1.00 28.62 ? 569 PHE A CE1 1 ATOM 1730 C CE2 . PHE A 1 228 ? 10.883 -8.987 -0.517 1.00 31.69 ? 569 PHE A CE2 1 ATOM 1731 C CZ . PHE A 1 228 ? 10.575 -9.709 0.629 1.00 27.48 ? 569 PHE A CZ 1 ATOM 1732 N N . ARG A 1 229 ? 4.924 -5.704 -0.602 1.00 27.37 ? 570 ARG A N 1 ATOM 1733 C CA . ARG A 1 229 ? 3.979 -4.592 -0.548 1.00 27.50 ? 570 ARG A CA 1 ATOM 1734 C C . ARG A 1 229 ? 3.946 -3.939 0.852 1.00 27.16 ? 570 ARG A C 1 ATOM 1735 O O . ARG A 1 229 ? 4.113 -4.635 1.866 1.00 25.77 ? 570 ARG A O 1 ATOM 1736 C CB . ARG A 1 229 ? 2.562 -5.074 -0.860 1.00 27.58 ? 570 ARG A CB 1 ATOM 1737 C CG . ARG A 1 229 ? 2.340 -5.442 -2.326 1.00 29.52 ? 570 ARG A CG 1 ATOM 1738 C CD . ARG A 1 229 ? 2.230 -4.231 -3.224 1.00 34.12 ? 570 ARG A CD 1 ATOM 1739 N NE . ARG A 1 229 ? 2.035 -4.606 -4.622 1.00 39.07 ? 570 ARG A NE 1 ATOM 1740 C CZ . ARG A 1 229 ? 3.021 -4.836 -5.473 1.00 42.05 ? 570 ARG A CZ 1 ATOM 1741 N NH1 . ARG A 1 229 ? 4.293 -4.727 -5.079 1.00 43.36 ? 570 ARG A NH1 1 ATOM 1742 N NH2 . ARG A 1 229 ? 2.737 -5.171 -6.726 1.00 44.04 ? 570 ARG A NH2 1 ATOM 1743 N N . LEU A 1 230 ? 3.696 -2.634 0.883 1.00 25.72 ? 571 LEU A N 1 ATOM 1744 C CA . LEU A 1 230 ? 3.510 -1.861 2.113 1.00 26.45 ? 571 LEU A CA 1 ATOM 1745 C C . LEU A 1 230 ? 2.028 -1.854 2.469 1.00 25.98 ? 571 LEU A C 1 ATOM 1746 O O . LEU A 1 230 ? 1.180 -1.701 1.593 1.00 26.52 ? 571 LEU A O 1 ATOM 1747 C CB . LEU A 1 230 ? 3.997 -0.419 1.930 1.00 25.56 ? 571 LEU A CB 1 ATOM 1748 C CG . LEU A 1 230 ? 5.479 -0.322 1.593 1.00 27.81 ? 571 LEU A CG 1 ATOM 1749 C CD1 . LEU A 1 230 ? 5.856 1.135 1.401 1.00 26.15 ? 571 LEU A CD1 1 ATOM 1750 C CD2 . LEU A 1 230 ? 6.307 -0.965 2.696 1.00 25.22 ? 571 LEU A CD2 1 ATOM 1751 N N . LEU A 1 231 ? 1.714 -1.997 3.751 1.00 26.23 ? 572 LEU A N 1 ATOM 1752 C CA . LEU A 1 231 ? 0.330 -1.868 4.205 1.00 27.30 ? 572 LEU A CA 1 ATOM 1753 C C . LEU A 1 231 ? 0.079 -0.413 4.616 1.00 27.70 ? 572 LEU A C 1 ATOM 1754 O O . LEU A 1 231 ? 0.818 0.139 5.441 1.00 28.33 ? 572 LEU A O 1 ATOM 1755 C CB . LEU A 1 231 ? 0.042 -2.793 5.379 1.00 26.77 ? 572 LEU A CB 1 ATOM 1756 C CG . LEU A 1 231 ? 0.217 -4.284 5.162 1.00 29.53 ? 572 LEU A CG 1 ATOM 1757 C CD1 . LEU A 1 231 ? -0.327 -5.087 6.395 1.00 28.87 ? 572 LEU A CD1 1 ATOM 1758 C CD2 . LEU A 1 231 ? -0.479 -4.737 3.845 1.00 31.32 ? 572 LEU A CD2 1 ATOM 1759 N N . CYS A 1 232 ? -0.924 0.225 4.025 1.00 28.19 ? 573 CYS A N 1 ATOM 1760 C CA . CYS A 1 232 ? -1.258 1.610 4.367 1.00 28.35 ? 573 CYS A CA 1 ATOM 1761 C C . CYS A 1 232 ? -2.380 1.631 5.370 1.00 29.30 ? 573 CYS A C 1 ATOM 1762 O O . CYS A 1 232 ? -3.212 0.698 5.410 1.00 29.79 ? 573 CYS A O 1 ATOM 1763 C CB . CYS A 1 232 ? -1.645 2.426 3.122 1.00 28.15 ? 573 CYS A CB 1 ATOM 1764 S SG . CYS A 1 232 ? -0.600 2.126 1.689 1.00 31.81 ? 573 CYS A SG 1 ATOM 1765 N N . LEU A 1 233 ? -2.438 2.695 6.169 1.00 30.27 ? 574 LEU A N 1 ATOM 1766 C CA . LEU A 1 233 ? -3.470 2.804 7.186 1.00 31.84 ? 574 LEU A CA 1 ATOM 1767 C C . LEU A 1 233 ? -4.868 2.918 6.596 1.00 32.89 ? 574 LEU A C 1 ATOM 1768 O O . LEU A 1 233 ? -5.822 2.620 7.286 1.00 34.16 ? 574 LEU A O 1 ATOM 1769 C CB . LEU A 1 233 ? -3.212 3.980 8.137 1.00 31.91 ? 574 LEU A CB 1 ATOM 1770 C CG . LEU A 1 233 ? -2.015 3.834 9.078 1.00 30.92 ? 574 LEU A CG 1 ATOM 1771 C CD1 . LEU A 1 233 ? -1.698 5.147 9.795 1.00 33.45 ? 574 LEU A CD1 1 ATOM 1772 C CD2 . LEU A 1 233 ? -2.334 2.740 10.071 1.00 34.32 ? 574 LEU A CD2 1 ATOM 1773 N N . ASP A 1 234 ? -5.001 3.313 5.338 1.00 33.91 ? 575 ASP A N 1 ATOM 1774 C CA . ASP A 1 234 ? -6.346 3.364 4.733 1.00 35.57 ? 575 ASP A CA 1 ATOM 1775 C C . ASP A 1 234 ? -6.874 2.033 4.196 1.00 36.29 ? 575 ASP A C 1 ATOM 1776 O O . ASP A 1 234 ? -7.873 2.016 3.497 1.00 36.83 ? 575 ASP A O 1 ATOM 1777 C CB . ASP A 1 234 ? -6.425 4.403 3.612 1.00 35.07 ? 575 ASP A CB 1 ATOM 1778 C CG . ASP A 1 234 ? -5.504 4.104 2.435 1.00 36.42 ? 575 ASP A CG 1 ATOM 1779 O OD1 . ASP A 1 234 ? -4.746 3.114 2.437 1.00 39.86 ? 575 ASP A OD1 1 ATOM 1780 O OD2 . ASP A 1 234 ? -5.456 4.836 1.431 1.00 39.74 ? 575 ASP A OD2 1 ATOM 1781 N N . GLY A 1 235 ? -6.203 0.926 4.489 1.00 36.16 ? 576 GLY A N 1 ATOM 1782 C CA . GLY A 1 235 ? -6.643 -0.350 3.972 1.00 35.30 ? 576 GLY A CA 1 ATOM 1783 C C . GLY A 1 235 ? -6.046 -0.749 2.629 1.00 35.30 ? 576 GLY A C 1 ATOM 1784 O O . GLY A 1 235 ? -6.320 -1.836 2.160 1.00 35.36 ? 576 GLY A O 1 ATOM 1785 N N . THR A 1 236 ? -5.237 0.094 1.996 1.00 35.02 ? 577 THR A N 1 ATOM 1786 C CA . THR A 1 236 ? -4.637 -0.296 0.714 1.00 34.91 ? 577 THR A CA 1 ATOM 1787 C C . THR A 1 236 ? -3.278 -0.961 0.854 1.00 34.01 ? 577 THR A C 1 ATOM 1788 O O . THR A 1 236 ? -2.679 -0.965 1.926 1.00 34.41 ? 577 THR A O 1 ATOM 1789 C CB . THR A 1 236 ? -4.497 0.920 -0.258 1.00 35.06 ? 577 THR A CB 1 ATOM 1790 O OG1 . THR A 1 236 ? -3.775 2.007 0.364 1.00 34.63 ? 577 THR A OG1 1 ATOM 1791 C CG2 . THR A 1 236 ? -5.845 1.542 -0.534 1.00 37.01 ? 577 THR A CG2 1 ATOM 1792 N N . ARG A 1 237 ? -2.808 -1.502 -0.261 1.00 32.97 ? 578 ARG A N 1 ATOM 1793 C CA . ARG A 1 237 ? -1.489 -2.068 -0.372 1.00 33.26 ? 578 ARG A CA 1 ATOM 1794 C C . ARG A 1 237 ? -0.822 -1.296 -1.474 1.00 33.22 ? 578 ARG A C 1 ATOM 1795 O O . ARG A 1 237 ? -1.432 -1.045 -2.513 1.00 33.34 ? 578 ARG A O 1 ATOM 1796 C CB . ARG A 1 237 ? -1.539 -3.547 -0.775 1.00 32.79 ? 578 ARG A CB 1 ATOM 1797 C CG . ARG A 1 237 ? -2.106 -4.424 0.288 1.00 34.01 ? 578 ARG A CG 1 ATOM 1798 C CD . ARG A 1 237 ? -2.785 -5.675 -0.241 1.00 34.87 ? 578 ARG A CD 1 ATOM 1799 N NE . ARG A 1 237 ? -1.901 -6.461 -1.094 1.00 32.79 ? 578 ARG A NE 1 ATOM 1800 C CZ . ARG A 1 237 ? -1.228 -7.548 -0.713 1.00 32.94 ? 578 ARG A CZ 1 ATOM 1801 N NH1 . ARG A 1 237 ? -1.308 -7.981 0.533 1.00 30.49 ? 578 ARG A NH1 1 ATOM 1802 N NH2 . ARG A 1 237 ? -0.475 -8.203 -1.597 1.00 32.46 ? 578 ARG A NH2 1 ATOM 1803 N N . LYS A 1 238 ? 0.427 -0.930 -1.260 1.00 32.12 ? 579 LYS A N 1 ATOM 1804 C CA . LYS A 1 238 ? 1.168 -0.189 -2.249 1.00 32.90 ? 579 LYS A CA 1 ATOM 1805 C C . LYS A 1 238 ? 2.574 -0.749 -2.465 1.00 32.91 ? 579 LYS A C 1 ATOM 1806 O O . LYS A 1 238 ? 3.120 -1.449 -1.610 1.00 31.90 ? 579 LYS A O 1 ATOM 1807 C CB . LYS A 1 238 ? 1.245 1.282 -1.799 1.00 32.92 ? 579 LYS A CB 1 ATOM 1808 C CG . LYS A 1 238 ? -0.034 2.075 -2.105 1.00 35.36 ? 579 LYS A CG 1 ATOM 1809 C CD . LYS A 1 238 ? 0.094 3.529 -1.700 1.00 39.89 ? 579 LYS A CD 1 ATOM 1810 C CE . LYS A 1 238 ? -1.117 4.338 -2.123 1.00 44.47 ? 579 LYS A CE 1 ATOM 1811 N NZ . LYS A 1 238 ? -2.396 3.771 -1.566 1.00 46.18 ? 579 LYS A NZ 1 ATOM 1812 N N . PRO A 1 239 ? 3.147 -0.498 -3.631 1.00 33.15 ? 580 PRO A N 1 ATOM 1813 C CA . PRO A 1 239 ? 4.553 -0.834 -3.865 1.00 33.27 ? 580 PRO A CA 1 ATOM 1814 C C . PRO A 1 239 ? 5.479 -0.077 -2.923 1.00 32.61 ? 580 PRO A C 1 ATOM 1815 O O . PRO A 1 239 ? 5.171 1.022 -2.450 1.00 31.86 ? 580 PRO A O 1 ATOM 1816 C CB . PRO A 1 239 ? 4.794 -0.354 -5.306 1.00 33.99 ? 580 PRO A CB 1 ATOM 1817 C CG . PRO A 1 239 ? 3.444 -0.455 -5.926 1.00 34.15 ? 580 PRO A CG 1 ATOM 1818 C CD . PRO A 1 239 ? 2.497 0.025 -4.846 1.00 33.95 ? 580 PRO A CD 1 ATOM 1819 N N . VAL A 1 240 ? 6.637 -0.665 -2.700 1.00 32.90 ? 581 VAL A N 1 ATOM 1820 C CA . VAL A 1 240 ? 7.587 -0.129 -1.749 1.00 34.12 ? 581 VAL A CA 1 ATOM 1821 C C . VAL A 1 240 ? 8.167 1.193 -2.215 1.00 34.50 ? 581 VAL A C 1 ATOM 1822 O O . VAL A 1 240 ? 8.802 1.894 -1.448 1.00 34.53 ? 581 VAL A O 1 ATOM 1823 C CB . VAL A 1 240 ? 8.647 -1.200 -1.317 1.00 34.59 ? 581 VAL A CB 1 ATOM 1824 C CG1 . VAL A 1 240 ? 7.923 -2.406 -0.744 1.00 33.92 ? 581 VAL A CG1 1 ATOM 1825 C CG2 . VAL A 1 240 ? 9.535 -1.650 -2.464 1.00 33.50 ? 581 VAL A CG2 1 ATOM 1826 N N . THR A 1 241 ? 7.904 1.567 -3.465 1.00 34.22 ? 582 THR A N 1 ATOM 1827 C CA . THR A 1 241 ? 8.330 2.900 -3.928 1.00 34.00 ? 582 THR A CA 1 ATOM 1828 C C . THR A 1 241 ? 7.457 4.009 -3.376 1.00 33.17 ? 582 THR A C 1 ATOM 1829 O O . THR A 1 241 ? 7.811 5.173 -3.475 1.00 34.62 ? 582 THR A O 1 ATOM 1830 C CB . THR A 1 241 ? 8.227 2.986 -5.432 1.00 33.57 ? 582 THR A CB 1 ATOM 1831 O OG1 . THR A 1 241 ? 7.028 2.337 -5.817 1.00 34.49 ? 582 THR A OG1 1 ATOM 1832 C CG2 . THR A 1 241 ? 9.301 2.155 -6.103 1.00 34.46 ? 582 THR A CG2 1 ATOM 1833 N N . GLU A 1 242 ? 6.297 3.669 -2.831 1.00 32.66 ? 583 GLU A N 1 ATOM 1834 C CA . GLU A 1 242 ? 5.356 4.682 -2.345 1.00 32.00 ? 583 GLU A CA 1 ATOM 1835 C C . GLU A 1 242 ? 5.390 4.870 -0.848 1.00 30.27 ? 583 GLU A C 1 ATOM 1836 O O . GLU A 1 242 ? 4.375 5.192 -0.264 1.00 29.15 ? 583 GLU A O 1 ATOM 1837 C CB . GLU A 1 242 ? 3.919 4.308 -2.708 1.00 32.98 ? 583 GLU A CB 1 ATOM 1838 C CG . GLU A 1 242 ? 3.723 3.969 -4.170 1.00 37.91 ? 583 GLU A CG 1 ATOM 1839 C CD . GLU A 1 242 ? 4.309 5.029 -5.056 1.00 43.98 ? 583 GLU A CD 1 ATOM 1840 O OE1 . GLU A 1 242 ? 3.913 6.210 -4.897 1.00 45.95 ? 583 GLU A OE1 1 ATOM 1841 O OE2 . GLU A 1 242 ? 5.168 4.669 -5.891 1.00 48.21 ? 583 GLU A OE2 1 ATOM 1842 N N . ALA A 1 243 ? 6.545 4.706 -0.219 1.00 28.85 ? 584 ALA A N 1 ATOM 1843 C CA . ALA A 1 243 ? 6.581 4.807 1.237 1.00 28.82 ? 584 ALA A CA 1 ATOM 1844 C C . ALA A 1 243 ? 6.174 6.209 1.688 1.00 29.01 ? 584 ALA A C 1 ATOM 1845 O O . ALA A 1 243 ? 5.607 6.399 2.765 1.00 27.30 ? 584 ALA A O 1 ATOM 1846 C CB . ALA A 1 243 ? 7.952 4.442 1.773 1.00 28.69 ? 584 ALA A CB 1 ATOM 1847 N N . GLN A 1 244 ? 6.444 7.194 0.846 1.00 30.23 ? 585 GLN A N 1 ATOM 1848 C CA . GLN A 1 244 ? 6.073 8.559 1.201 1.00 32.70 ? 585 GLN A CA 1 ATOM 1849 C C . GLN A 1 244 ? 4.570 8.655 1.429 1.00 31.81 ? 585 GLN A C 1 ATOM 1850 O O . GLN A 1 244 ? 4.125 9.477 2.207 1.00 31.68 ? 585 GLN A O 1 ATOM 1851 C CB . GLN A 1 244 ? 6.505 9.574 0.140 1.00 33.48 ? 585 GLN A CB 1 ATOM 1852 C CG . GLN A 1 244 ? 6.454 10.942 0.638 1.00 40.97 ? 585 GLN A CG 1 ATOM 1853 C CD . GLN A 1 244 ? 7.812 11.478 1.044 1.00 48.08 ? 585 GLN A CD 1 ATOM 1854 O OE1 . GLN A 1 244 ? 8.177 11.430 2.223 1.00 50.64 ? 585 GLN A OE1 1 ATOM 1855 N NE2 . GLN A 1 244 ? 8.571 11.973 0.068 1.00 49.09 ? 585 GLN A NE2 1 ATOM 1856 N N . SER A 1 245 ? 3.771 7.844 0.752 1.00 32.19 ? 586 SER A N 1 ATOM 1857 C CA . SER A 1 245 ? 2.330 7.978 0.940 1.00 32.67 ? 586 SER A CA 1 ATOM 1858 C C . SER A 1 245 ? 1.700 6.809 1.662 1.00 32.60 ? 586 SER A C 1 ATOM 1859 O O . SER A 1 245 ? 0.477 6.686 1.735 1.00 33.59 ? 586 SER A O 1 ATOM 1860 C CB . SER A 1 245 ? 1.629 8.230 -0.396 1.00 33.75 ? 586 SER A CB 1 ATOM 1861 O OG . SER A 1 245 ? 2.066 7.321 -1.394 1.00 35.20 ? 586 SER A OG 1 ATOM 1862 N N . CYS A 1 246 ? 2.540 5.921 2.187 1.00 31.22 ? 587 CYS A N 1 ATOM 1863 C CA . CYS A 1 246 ? 2.053 4.708 2.816 1.00 30.22 ? 587 CYS A CA 1 ATOM 1864 C C . CYS A 1 246 ? 2.962 4.225 3.982 1.00 29.71 ? 587 CYS A C 1 ATOM 1865 O O . CYS A 1 246 ? 3.544 3.144 3.900 1.00 28.80 ? 587 CYS A O 1 ATOM 1866 C CB . CYS A 1 246 ? 2.027 3.649 1.728 1.00 30.16 ? 587 CYS A CB 1 ATOM 1867 S SG . CYS A 1 246 ? 1.373 2.051 2.203 1.00 30.82 ? 587 CYS A SG 1 ATOM 1868 N N . HIS A 1 247 ? 3.072 5.036 5.036 1.00 28.22 ? 588 HIS A N 1 ATOM 1869 C CA . HIS A 1 247 ? 3.831 4.707 6.237 1.00 28.02 ? 588 HIS A CA 1 ATOM 1870 C C . HIS A 1 247 ? 2.911 4.824 7.454 1.00 28.34 ? 588 HIS A C 1 ATOM 1871 O O . HIS A 1 247 ? 1.797 5.390 7.370 1.00 27.61 ? 588 HIS A O 1 ATOM 1872 C CB . HIS A 1 247 ? 5.037 5.669 6.409 1.00 27.79 ? 588 HIS A CB 1 ATOM 1873 C CG . HIS A 1 247 ? 4.681 7.122 6.287 1.00 28.78 ? 588 HIS A CG 1 ATOM 1874 N ND1 . HIS A 1 247 ? 4.770 7.810 5.093 1.00 30.05 ? 588 HIS A ND1 1 ATOM 1875 C CD2 . HIS A 1 247 ? 4.228 8.018 7.201 1.00 29.97 ? 588 HIS A CD2 1 ATOM 1876 C CE1 . HIS A 1 247 ? 4.392 9.060 5.275 1.00 30.03 ? 588 HIS A CE1 1 ATOM 1877 N NE2 . HIS A 1 247 ? 4.054 9.214 6.540 1.00 30.95 ? 588 HIS A NE2 1 ATOM 1878 N N . LEU A 1 248 ? 3.391 4.303 8.584 1.00 26.67 ? 589 LEU A N 1 ATOM 1879 C CA . LEU A 1 248 ? 2.654 4.321 9.821 1.00 26.27 ? 589 LEU A CA 1 ATOM 1880 C C . LEU A 1 248 ? 3.035 5.549 10.612 1.00 26.46 ? 589 LEU A C 1 ATOM 1881 O O . LEU A 1 248 ? 2.244 6.001 11.402 1.00 27.26 ? 589 LEU A O 1 ATOM 1882 C CB . LEU A 1 248 ? 2.931 3.086 10.671 1.00 26.71 ? 589 LEU A CB 1 ATOM 1883 C CG . LEU A 1 248 ? 2.802 1.731 9.980 1.00 27.99 ? 589 LEU A CG 1 ATOM 1884 C CD1 . LEU A 1 248 ? 2.908 0.609 11.054 1.00 28.88 ? 589 LEU A CD1 1 ATOM 1885 C CD2 . LEU A 1 248 ? 1.517 1.629 9.210 1.00 28.44 ? 589 LEU A CD2 1 ATOM 1886 N N . ALA A 1 249 ? 4.242 6.063 10.426 1.00 25.79 ? 590 ALA A N 1 ATOM 1887 C CA . ALA A 1 249 ? 4.664 7.299 11.094 1.00 26.15 ? 590 ALA A CA 1 ATOM 1888 C C . ALA A 1 249 ? 6.045 7.657 10.610 1.00 26.05 ? 590 ALA A C 1 ATOM 1889 O O . ALA A 1 249 ? 6.725 6.825 9.991 1.00 25.30 ? 590 ALA A O 1 ATOM 1890 C CB . ALA A 1 249 ? 4.689 7.127 12.647 1.00 25.93 ? 590 ALA A CB 1 ATOM 1891 N N . VAL A 1 250 ? 6.460 8.895 10.874 1.00 25.35 ? 591 VAL A N 1 ATOM 1892 C CA . VAL A 1 250 ? 7.845 9.231 10.702 1.00 26.77 ? 591 VAL A CA 1 ATOM 1893 C C . VAL A 1 250 ? 8.504 9.149 12.099 1.00 26.54 ? 591 VAL A C 1 ATOM 1894 O O . VAL A 1 250 ? 7.954 9.616 13.100 1.00 26.48 ? 591 VAL A O 1 ATOM 1895 C CB . VAL A 1 250 ? 8.139 10.512 9.823 1.00 28.47 ? 591 VAL A CB 1 ATOM 1896 C CG1 . VAL A 1 250 ? 6.864 11.123 9.138 1.00 29.25 ? 591 VAL A CG1 1 ATOM 1897 C CG2 . VAL A 1 250 ? 9.034 11.520 10.505 1.00 30.72 ? 591 VAL A CG2 1 ATOM 1898 N N . ALA A 1 251 ? 9.619 8.443 12.175 1.00 25.27 ? 592 ALA A N 1 ATOM 1899 C CA . ALA A 1 251 ? 10.315 8.205 13.449 1.00 24.29 ? 592 ALA A CA 1 ATOM 1900 C C . ALA A 1 251 ? 11.526 9.142 13.619 1.00 23.46 ? 592 ALA A C 1 ATOM 1901 O O . ALA A 1 251 ? 12.217 9.393 12.680 1.00 23.56 ? 592 ALA A O 1 ATOM 1902 C CB . ALA A 1 251 ? 10.830 6.757 13.466 1.00 24.34 ? 592 ALA A CB 1 ATOM 1903 N N . PRO A 1 252 ? 11.839 9.585 14.826 1.00 24.54 ? 593 PRO A N 1 ATOM 1904 C CA . PRO A 1 252 ? 13.083 10.353 15.036 1.00 23.64 ? 593 PRO A CA 1 ATOM 1905 C C . PRO A 1 252 ? 14.321 9.434 14.876 1.00 24.29 ? 593 PRO A C 1 ATOM 1906 O O . PRO A 1 252 ? 14.323 8.222 15.258 1.00 22.45 ? 593 PRO A O 1 ATOM 1907 C CB . PRO A 1 252 ? 12.992 10.847 16.484 1.00 24.75 ? 593 PRO A CB 1 ATOM 1908 C CG . PRO A 1 252 ? 11.860 10.155 17.106 1.00 25.91 ? 593 PRO A CG 1 ATOM 1909 C CD . PRO A 1 252 ? 11.056 9.369 16.061 1.00 24.61 ? 593 PRO A CD 1 ATOM 1910 N N . ASN A 1 253 ? 15.376 9.976 14.274 1.00 22.97 ? 594 ASN A N 1 ATOM 1911 C CA . ASN A 1 253 ? 16.556 9.158 14.063 1.00 23.33 ? 594 ASN A CA 1 ATOM 1912 C C . ASN A 1 253 ? 17.152 8.621 15.387 1.00 21.92 ? 594 ASN A C 1 ATOM 1913 O O . ASN A 1 253 ? 16.931 9.213 16.483 1.00 19.79 ? 594 ASN A O 1 ATOM 1914 C CB . ASN A 1 253 ? 17.623 9.920 13.270 1.00 23.91 ? 594 ASN A CB 1 ATOM 1915 C CG . ASN A 1 253 ? 17.224 10.139 11.792 1.00 30.34 ? 594 ASN A CG 1 ATOM 1916 O OD1 . ASN A 1 253 ? 16.348 9.452 11.246 1.00 36.79 ? 594 ASN A OD1 1 ATOM 1917 N ND2 . ASN A 1 253 ? 17.874 11.078 11.155 1.00 35.19 ? 594 ASN A ND2 1 ATOM 1918 N N . HIS A 1 254 ? 17.818 7.457 15.277 1.00 20.18 ? 595 HIS A N 1 ATOM 1919 C CA . HIS A 1 254 ? 18.614 6.914 16.370 1.00 19.99 ? 595 HIS A CA 1 ATOM 1920 C C . HIS A 1 254 ? 19.652 7.985 16.711 1.00 20.57 ? 595 HIS A C 1 ATOM 1921 O O . HIS A 1 254 ? 20.096 8.744 15.815 1.00 20.63 ? 595 HIS A O 1 ATOM 1922 C CB . HIS A 1 254 ? 19.292 5.587 15.971 1.00 19.92 ? 595 HIS A CB 1 ATOM 1923 C CG . HIS A 1 254 ? 18.318 4.455 15.768 1.00 19.61 ? 595 HIS A CG 1 ATOM 1924 N ND1 . HIS A 1 254 ? 18.703 3.138 15.657 1.00 22.61 ? 595 HIS A ND1 1 ATOM 1925 C CD2 . HIS A 1 254 ? 16.973 4.466 15.611 1.00 18.80 ? 595 HIS A CD2 1 ATOM 1926 C CE1 . HIS A 1 254 ? 17.638 2.376 15.459 1.00 20.01 ? 595 HIS A CE1 1 ATOM 1927 N NE2 . HIS A 1 254 ? 16.572 3.156 15.429 1.00 23.52 ? 595 HIS A NE2 1 ATOM 1928 N N . ALA A 1 255 ? 20.020 8.051 17.983 1.00 19.40 ? 596 ALA A N 1 ATOM 1929 C CA . ALA A 1 255 ? 20.962 9.059 18.439 1.00 20.58 ? 596 ALA A CA 1 ATOM 1930 C C . ALA A 1 255 ? 21.806 8.498 19.585 1.00 21.04 ? 596 ALA A C 1 ATOM 1931 O O . ALA A 1 255 ? 21.393 7.582 20.310 1.00 21.95 ? 596 ALA A O 1 ATOM 1932 C CB . ALA A 1 255 ? 20.189 10.304 18.913 1.00 19.37 ? 596 ALA A CB 1 ATOM 1933 N N . VAL A 1 256 ? 22.999 9.050 19.707 1.00 21.31 ? 597 VAL A N 1 ATOM 1934 C CA . VAL A 1 256 ? 23.895 8.755 20.791 1.00 22.08 ? 597 VAL A CA 1 ATOM 1935 C C . VAL A 1 256 ? 23.385 9.452 22.061 1.00 22.54 ? 597 VAL A C 1 ATOM 1936 O O . VAL A 1 256 ? 23.054 10.659 22.046 1.00 21.14 ? 597 VAL A O 1 ATOM 1937 C CB . VAL A 1 256 ? 25.297 9.276 20.456 1.00 22.49 ? 597 VAL A CB 1 ATOM 1938 C CG1 . VAL A 1 256 ? 26.268 9.092 21.658 1.00 21.79 ? 597 VAL A CG1 1 ATOM 1939 C CG2 . VAL A 1 256 ? 25.820 8.584 19.189 1.00 21.90 ? 597 VAL A CG2 1 ATOM 1940 N N . VAL A 1 257 ? 23.286 8.703 23.156 1.00 21.37 ? 598 VAL A N 1 ATOM 1941 C CA . VAL A 1 257 ? 22.935 9.342 24.411 1.00 22.94 ? 598 VAL A CA 1 ATOM 1942 C C . VAL A 1 257 ? 24.048 9.154 25.430 1.00 23.50 ? 598 VAL A C 1 ATOM 1943 O O . VAL A 1 257 ? 24.875 8.236 25.338 1.00 23.41 ? 598 VAL A O 1 ATOM 1944 C CB . VAL A 1 257 ? 21.605 8.806 25.039 1.00 23.77 ? 598 VAL A CB 1 ATOM 1945 C CG1 . VAL A 1 257 ? 20.401 8.894 24.038 1.00 25.06 ? 598 VAL A CG1 1 ATOM 1946 C CG2 . VAL A 1 257 ? 21.811 7.378 25.573 1.00 25.18 ? 598 VAL A CG2 1 ATOM 1947 N N . SER A 1 258 ? 24.054 10.029 26.414 1.00 23.96 ? 599 SER A N 1 ATOM 1948 C CA . SER A 1 258 ? 24.984 9.888 27.511 1.00 25.11 ? 599 SER A CA 1 ATOM 1949 C C . SER A 1 258 ? 24.415 10.566 28.746 1.00 25.52 ? 599 SER A C 1 ATOM 1950 O O . SER A 1 258 ? 23.367 11.220 28.690 1.00 25.07 ? 599 SER A O 1 ATOM 1951 C CB . SER A 1 258 ? 26.335 10.479 27.141 1.00 24.79 ? 599 SER A CB 1 ATOM 1952 O OG . SER A 1 258 ? 26.313 11.863 27.313 1.00 26.06 ? 599 SER A OG 1 ATOM 1953 N N . ARG A 1 259 ? 25.088 10.383 29.873 1.00 25.95 ? 600 ARG A N 1 ATOM 1954 C CA . ARG A 1 259 ? 24.716 11.119 31.068 1.00 27.20 ? 600 ARG A CA 1 ATOM 1955 C C . ARG A 1 259 ? 24.962 12.593 30.769 1.00 28.05 ? 600 ARG A C 1 ATOM 1956 O O . ARG A 1 259 ? 25.952 12.930 30.117 1.00 26.72 ? 600 ARG A O 1 ATOM 1957 C CB . ARG A 1 259 ? 25.550 10.655 32.266 1.00 27.43 ? 600 ARG A CB 1 ATOM 1958 C CG . ARG A 1 259 ? 24.812 9.736 33.150 1.00 26.25 ? 600 ARG A CG 1 ATOM 1959 C CD . ARG A 1 259 ? 25.595 9.171 34.344 1.00 30.21 ? 600 ARG A CD 1 ATOM 1960 N NE . ARG A 1 259 ? 26.435 10.137 35.051 1.00 25.99 ? 600 ARG A NE 1 ATOM 1961 C CZ . ARG A 1 259 ? 27.040 9.825 36.185 1.00 28.59 ? 600 ARG A CZ 1 ATOM 1962 N NH1 . ARG A 1 259 ? 26.852 8.596 36.718 1.00 23.17 ? 600 ARG A NH1 1 ATOM 1963 N NH2 . ARG A 1 259 ? 27.805 10.727 36.799 1.00 23.27 ? 600 ARG A NH2 1 ATOM 1964 N N . SER A 1 260 ? 24.078 13.488 31.210 1.00 29.23 ? 601 SER A N 1 ATOM 1965 C CA . SER A 1 260 ? 24.298 14.902 30.867 1.00 31.72 ? 601 SER A CA 1 ATOM 1966 C C . SER A 1 260 ? 25.647 15.449 31.299 1.00 31.02 ? 601 SER A C 1 ATOM 1967 O O . SER A 1 260 ? 26.248 16.258 30.594 1.00 29.80 ? 601 SER A O 1 ATOM 1968 C CB . SER A 1 260 ? 23.215 15.873 31.392 1.00 33.01 ? 601 SER A CB 1 ATOM 1969 O OG . SER A 1 260 ? 22.867 15.507 32.711 1.00 39.45 ? 601 SER A OG 1 ATOM 1970 N N . ASP A 1 261 ? 26.140 14.981 32.438 1.00 30.57 ? 602 ASP A N 1 ATOM 1971 C CA . ASP A 1 261 ? 27.410 15.504 32.937 1.00 31.52 ? 602 ASP A CA 1 ATOM 1972 C C . ASP A 1 261 ? 28.600 15.066 32.074 1.00 31.06 ? 602 ASP A C 1 ATOM 1973 O O . ASP A 1 261 ? 29.709 15.566 32.238 1.00 30.27 ? 602 ASP A O 1 ATOM 1974 C CB . ASP A 1 261 ? 27.619 15.148 34.423 1.00 31.69 ? 602 ASP A CB 1 ATOM 1975 C CG . ASP A 1 261 ? 27.454 13.646 34.704 1.00 35.43 ? 602 ASP A CG 1 ATOM 1976 O OD1 . ASP A 1 261 ? 26.451 13.032 34.260 1.00 37.12 ? 602 ASP A OD1 1 ATOM 1977 O OD2 . ASP A 1 261 ? 28.277 12.996 35.365 1.00 36.92 ? 602 ASP A OD2 1 ATOM 1978 N N . ARG A 1 262 ? 28.375 14.111 31.166 1.00 29.89 ? 603 ARG A N 1 ATOM 1979 C CA . ARG A 1 262 ? 29.444 13.649 30.289 1.00 28.54 ? 603 ARG A CA 1 ATOM 1980 C C . ARG A 1 262 ? 29.235 14.044 28.822 1.00 27.98 ? 603 ARG A C 1 ATOM 1981 O O . ARG A 1 262 ? 30.086 13.785 27.977 1.00 26.76 ? 603 ARG A O 1 ATOM 1982 C CB . ARG A 1 262 ? 29.534 12.080 30.371 1.00 30.09 ? 603 ARG A CB 1 ATOM 1983 C CG . ARG A 1 262 ? 30.068 11.504 31.681 1.00 30.29 ? 603 ARG A CG 1 ATOM 1984 C CD . ARG A 1 262 ? 31.595 11.627 31.817 1.00 37.46 ? 603 ARG A CD 1 ATOM 1985 N NE . ARG A 1 262 ? 32.327 10.691 30.951 1.00 40.76 ? 603 ARG A NE 1 ATOM 1986 C CZ . ARG A 1 262 ? 33.523 10.959 30.446 1.00 45.30 ? 603 ARG A CZ 1 ATOM 1987 N NH1 . ARG A 1 262 ? 34.104 12.141 30.723 1.00 45.31 ? 603 ARG A NH1 1 ATOM 1988 N NH2 . ARG A 1 262 ? 34.125 10.062 29.660 1.00 44.42 ? 603 ARG A NH2 1 ATOM 1989 N N . ALA A 1 263 ? 28.090 14.659 28.527 1.00 27.24 ? 604 ALA A N 1 ATOM 1990 C CA . ALA A 1 263 ? 27.673 14.925 27.144 1.00 27.06 ? 604 ALA A CA 1 ATOM 1991 C C . ALA A 1 263 ? 28.717 15.636 26.313 1.00 27.04 ? 604 ALA A C 1 ATOM 1992 O O . ALA A 1 263 ? 29.045 15.226 25.206 1.00 25.58 ? 604 ALA A O 1 ATOM 1993 C CB . ALA A 1 263 ? 26.340 15.698 27.119 1.00 26.86 ? 604 ALA A CB 1 ATOM 1994 N N . ALA A 1 264 ? 29.261 16.708 26.868 1.00 28.15 ? 605 ALA A N 1 ATOM 1995 C CA . ALA A 1 264 ? 30.192 17.542 26.136 1.00 29.33 ? 605 ALA A CA 1 ATOM 1996 C C . ALA A 1 264 ? 31.436 16.770 25.744 1.00 30.32 ? 605 ALA A C 1 ATOM 1997 O O . ALA A 1 264 ? 31.968 16.933 24.654 1.00 30.04 ? 605 ALA A O 1 ATOM 1998 C CB . ALA A 1 264 ? 30.590 18.800 27.011 1.00 29.89 ? 605 ALA A CB 1 ATOM 1999 N N . HIS A 1 265 ? 31.919 15.925 26.643 1.00 31.32 ? 606 HIS A N 1 ATOM 2000 C CA . HIS A 1 265 ? 33.126 15.184 26.342 1.00 33.10 ? 606 HIS A CA 1 ATOM 2001 C C . HIS A 1 265 ? 32.864 14.058 25.331 1.00 31.88 ? 606 HIS A C 1 ATOM 2002 O O . HIS A 1 265 ? 33.683 13.785 24.457 1.00 31.93 ? 606 HIS A O 1 ATOM 2003 C CB . HIS A 1 265 ? 33.721 14.626 27.628 1.00 35.16 ? 606 HIS A CB 1 ATOM 2004 C CG . HIS A 1 265 ? 35.184 14.913 27.757 1.00 44.16 ? 606 HIS A CG 1 ATOM 2005 N ND1 . HIS A 1 265 ? 35.700 15.724 28.750 1.00 50.03 ? 606 HIS A ND1 1 ATOM 2006 C CD2 . HIS A 1 265 ? 36.233 14.550 26.976 1.00 47.58 ? 606 HIS A CD2 1 ATOM 2007 C CE1 . HIS A 1 265 ? 37.010 15.824 28.587 1.00 53.05 ? 606 HIS A CE1 1 ATOM 2008 N NE2 . HIS A 1 265 ? 37.357 15.120 27.520 1.00 52.12 ? 606 HIS A NE2 1 ATOM 2009 N N . VAL A 1 266 ? 31.717 13.401 25.458 1.00 30.25 ? 607 VAL A N 1 ATOM 2010 C CA . VAL A 1 266 ? 31.384 12.345 24.505 1.00 29.44 ? 607 VAL A CA 1 ATOM 2011 C C . VAL A 1 266 ? 31.299 12.952 23.097 1.00 29.59 ? 607 VAL A C 1 ATOM 2012 O O . VAL A 1 266 ? 31.850 12.420 22.161 1.00 29.12 ? 607 VAL A O 1 ATOM 2013 C CB . VAL A 1 266 ? 30.066 11.623 24.896 1.00 29.40 ? 607 VAL A CB 1 ATOM 2014 C CG1 . VAL A 1 266 ? 29.619 10.650 23.774 1.00 28.12 ? 607 VAL A CG1 1 ATOM 2015 C CG2 . VAL A 1 266 ? 30.233 10.902 26.231 1.00 25.99 ? 607 VAL A CG2 1 ATOM 2016 N N . GLU A 1 267 ? 30.646 14.105 22.987 1.00 30.35 ? 608 GLU A N 1 ATOM 2017 C CA . GLU A 1 267 ? 30.490 14.827 21.730 1.00 31.16 ? 608 GLU A CA 1 ATOM 2018 C C . GLU A 1 267 ? 31.809 15.131 21.035 1.00 31.45 ? 608 GLU A C 1 ATOM 2019 O O . GLU A 1 267 ? 31.968 14.829 19.864 1.00 30.95 ? 608 GLU A O 1 ATOM 2020 C CB . GLU A 1 267 ? 29.666 16.104 21.955 1.00 31.90 ? 608 GLU A CB 1 ATOM 2021 C CG . GLU A 1 267 ? 29.471 16.983 20.721 1.00 36.87 ? 608 GLU A CG 1 ATOM 2022 C CD . GLU A 1 267 ? 28.509 18.145 20.970 1.00 45.16 ? 608 GLU A CD 1 ATOM 2023 O OE1 . GLU A 1 267 ? 27.897 18.206 22.059 1.00 51.66 ? 608 GLU A OE1 1 ATOM 2024 O OE2 . GLU A 1 267 ? 28.322 18.998 20.066 1.00 50.52 ? 608 GLU A OE2 1 ATOM 2025 N N . GLN A 1 268 ? 32.776 15.712 21.751 1.00 32.60 ? 609 GLN A N 1 ATOM 2026 C CA . GLN A 1 268 ? 34.051 16.026 21.107 1.00 33.25 ? 609 GLN A CA 1 ATOM 2027 C C . GLN A 1 268 ? 34.849 14.784 20.662 1.00 32.25 ? 609 GLN A C 1 ATOM 2028 O O . GLN A 1 268 ? 35.432 14.770 19.584 1.00 31.23 ? 609 GLN A O 1 ATOM 2029 C CB . GLN A 1 268 ? 34.904 17.026 21.931 1.00 34.59 ? 609 GLN A CB 1 ATOM 2030 C CG . GLN A 1 268 ? 35.853 16.469 22.962 1.00 39.68 ? 609 GLN A CG 1 ATOM 2031 C CD . GLN A 1 268 ? 36.581 17.597 23.754 1.00 48.75 ? 609 GLN A CD 1 ATOM 2032 O OE1 . GLN A 1 268 ? 35.927 18.477 24.355 1.00 50.27 ? 609 GLN A OE1 1 ATOM 2033 N NE2 . GLN A 1 268 ? 37.925 17.574 23.741 1.00 50.35 ? 609 GLN A NE2 1 ATOM 2034 N N . VAL A 1 269 ? 34.843 13.735 21.471 1.00 30.82 ? 610 VAL A N 1 ATOM 2035 C CA . VAL A 1 269 ? 35.552 12.540 21.085 1.00 30.78 ? 610 VAL A CA 1 ATOM 2036 C C . VAL A 1 269 ? 34.934 11.958 19.812 1.00 30.38 ? 610 VAL A C 1 ATOM 2037 O O . VAL A 1 269 ? 35.640 11.651 18.863 1.00 31.17 ? 610 VAL A O 1 ATOM 2038 C CB . VAL A 1 269 ? 35.580 11.517 22.219 1.00 30.23 ? 610 VAL A CB 1 ATOM 2039 C CG1 . VAL A 1 269 ? 36.052 10.135 21.715 1.00 31.15 ? 610 VAL A CG1 1 ATOM 2040 C CG2 . VAL A 1 269 ? 36.483 12.024 23.319 1.00 31.95 ? 610 VAL A CG2 1 ATOM 2041 N N . LEU A 1 270 ? 33.616 11.856 19.787 1.00 30.05 ? 611 LEU A N 1 ATOM 2042 C CA . LEU A 1 270 ? 32.913 11.268 18.655 1.00 30.92 ? 611 LEU A CA 1 ATOM 2043 C C . LEU A 1 270 ? 33.095 12.036 17.364 1.00 30.96 ? 611 LEU A C 1 ATOM 2044 O O . LEU A 1 270 ? 33.260 11.439 16.322 1.00 30.51 ? 611 LEU A O 1 ATOM 2045 C CB . LEU A 1 270 ? 31.433 11.195 18.972 1.00 30.95 ? 611 LEU A CB 1 ATOM 2046 C CG . LEU A 1 270 ? 30.897 9.819 19.332 1.00 33.46 ? 611 LEU A CG 1 ATOM 2047 C CD1 . LEU A 1 270 ? 31.815 9.105 20.304 1.00 37.40 ? 611 LEU A CD1 1 ATOM 2048 C CD2 . LEU A 1 270 ? 29.496 10.029 19.905 1.00 34.73 ? 611 LEU A CD2 1 ATOM 2049 N N . LEU A 1 271 ? 32.974 13.361 17.431 1.00 31.78 ? 612 LEU A N 1 ATOM 2050 C CA . LEU A 1 271 ? 33.245 14.222 16.276 1.00 32.84 ? 612 LEU A CA 1 ATOM 2051 C C . LEU A 1 271 ? 34.625 13.929 15.679 1.00 33.10 ? 612 LEU A C 1 ATOM 2052 O O . LEU A 1 271 ? 34.750 13.821 14.477 1.00 34.54 ? 612 LEU A O 1 ATOM 2053 C CB . LEU A 1 271 ? 33.105 15.699 16.659 1.00 32.49 ? 612 LEU A CB 1 ATOM 2054 C CG . LEU A 1 271 ? 31.647 16.101 16.864 1.00 33.82 ? 612 LEU A CG 1 ATOM 2055 C CD1 . LEU A 1 271 ? 31.490 17.601 17.093 1.00 35.45 ? 612 LEU A CD1 1 ATOM 2056 C CD2 . LEU A 1 271 ? 30.826 15.636 15.660 1.00 35.24 ? 612 LEU A CD2 1 ATOM 2057 N N . HIS A 1 272 ? 35.645 13.751 16.515 1.00 33.47 ? 613 HIS A N 1 ATOM 2058 C CA . HIS A 1 272 ? 36.977 13.376 16.023 1.00 34.07 ? 613 HIS A CA 1 ATOM 2059 C C . HIS A 1 272 ? 37.028 11.933 15.545 1.00 33.69 ? 613 HIS A C 1 ATOM 2060 O O . HIS A 1 272 ? 37.692 11.625 14.548 1.00 33.36 ? 613 HIS A O 1 ATOM 2061 C CB . HIS A 1 272 ? 38.031 13.590 17.117 1.00 34.90 ? 613 HIS A CB 1 ATOM 2062 C CG . HIS A 1 272 ? 39.423 13.236 16.701 1.00 40.47 ? 613 HIS A CG 1 ATOM 2063 N ND1 . HIS A 1 272 ? 40.217 12.365 17.422 1.00 44.44 ? 613 HIS A ND1 1 ATOM 2064 C CD2 . HIS A 1 272 ? 40.171 13.633 15.635 1.00 44.35 ? 613 HIS A CD2 1 ATOM 2065 C CE1 . HIS A 1 272 ? 41.394 12.252 16.828 1.00 44.97 ? 613 HIS A CE1 1 ATOM 2066 N NE2 . HIS A 1 272 ? 41.393 13.006 15.742 1.00 42.93 ? 613 HIS A NE2 1 ATOM 2067 N N . GLN A 1 273 ? 36.351 11.028 16.253 1.00 31.72 ? 614 GLN A N 1 ATOM 2068 C CA . GLN A 1 273 ? 36.304 9.646 15.771 1.00 31.50 ? 614 GLN A CA 1 ATOM 2069 C C . GLN A 1 273 ? 35.692 9.514 14.376 1.00 31.72 ? 614 GLN A C 1 ATOM 2070 O O . GLN A 1 273 ? 36.092 8.666 13.603 1.00 31.23 ? 614 GLN A O 1 ATOM 2071 C CB . GLN A 1 273 ? 35.546 8.736 16.750 1.00 30.65 ? 614 GLN A CB 1 ATOM 2072 C CG . GLN A 1 273 ? 36.336 8.400 18.016 1.00 30.14 ? 614 GLN A CG 1 ATOM 2073 C CD . GLN A 1 273 ? 37.714 7.799 17.743 1.00 32.11 ? 614 GLN A CD 1 ATOM 2074 O OE1 . GLN A 1 273 ? 37.837 6.741 17.126 1.00 30.72 ? 614 GLN A OE1 1 ATOM 2075 N NE2 . GLN A 1 273 ? 38.751 8.453 18.258 1.00 33.37 ? 614 GLN A NE2 1 ATOM 2076 N N . GLN A 1 274 ? 34.675 10.307 14.065 1.00 32.44 ? 615 GLN A N 1 ATOM 2077 C CA . GLN A 1 274 ? 34.094 10.175 12.748 1.00 33.64 ? 615 GLN A CA 1 ATOM 2078 C C . GLN A 1 274 ? 34.957 10.806 11.637 1.00 34.21 ? 615 GLN A C 1 ATOM 2079 O O . GLN A 1 274 ? 34.899 10.384 10.492 1.00 34.16 ? 615 GLN A O 1 ATOM 2080 C CB . GLN A 1 274 ? 32.631 10.621 12.712 1.00 33.65 ? 615 GLN A CB 1 ATOM 2081 C CG . GLN A 1 274 ? 32.363 12.095 12.572 1.00 34.65 ? 615 GLN A CG 1 ATOM 2082 C CD . GLN A 1 274 ? 30.872 12.340 12.408 1.00 37.57 ? 615 GLN A CD 1 ATOM 2083 O OE1 . GLN A 1 274 ? 30.105 11.399 12.152 1.00 39.17 ? 615 GLN A OE1 1 ATOM 2084 N NE2 . GLN A 1 274 ? 30.450 13.577 12.578 1.00 36.60 ? 615 GLN A NE2 1 ATOM 2085 N N . ALA A 1 275 ? 35.766 11.798 11.987 1.00 34.89 ? 616 ALA A N 1 ATOM 2086 C CA . ALA A 1 275 ? 36.665 12.384 11.003 1.00 35.70 ? 616 ALA A CA 1 ATOM 2087 C C . ALA A 1 275 ? 37.667 11.306 10.593 1.00 36.12 ? 616 ALA A C 1 ATOM 2088 O O . ALA A 1 275 ? 38.094 11.249 9.439 1.00 36.94 ? 616 ALA A O 1 ATOM 2089 C CB . ALA A 1 275 ? 37.383 13.621 11.583 1.00 36.12 ? 616 ALA A CB 1 ATOM 2090 N N . LEU A 1 276 ? 37.989 10.413 11.527 1.00 35.85 ? 617 LEU A N 1 ATOM 2091 C CA . LEU A 1 276 ? 38.894 9.302 11.272 1.00 35.73 ? 617 LEU A CA 1 ATOM 2092 C C . LEU A 1 276 ? 38.246 8.080 10.629 1.00 35.51 ? 617 LEU A C 1 ATOM 2093 O O . LEU A 1 276 ? 38.824 7.488 9.721 1.00 35.67 ? 617 LEU A O 1 ATOM 2094 C CB . LEU A 1 276 ? 39.507 8.815 12.584 1.00 36.01 ? 617 LEU A CB 1 ATOM 2095 C CG . LEU A 1 276 ? 40.367 9.821 13.353 1.00 38.28 ? 617 LEU A CG 1 ATOM 2096 C CD1 . LEU A 1 276 ? 41.002 9.141 14.557 1.00 37.38 ? 617 LEU A CD1 1 ATOM 2097 C CD2 . LEU A 1 276 ? 41.424 10.408 12.422 1.00 40.23 ? 617 LEU A CD2 1 ATOM 2098 N N . PHE A 1 277 ? 37.079 7.668 11.125 1.00 34.58 ? 618 PHE A N 1 ATOM 2099 C CA . PHE A 1 277 ? 36.490 6.407 10.666 1.00 34.51 ? 618 PHE A CA 1 ATOM 2100 C C . PHE A 1 277 ? 35.124 6.482 10.013 1.00 34.73 ? 618 PHE A C 1 ATOM 2101 O O . PHE A 1 277 ? 34.547 5.448 9.677 1.00 34.10 ? 618 PHE A O 1 ATOM 2102 C CB . PHE A 1 277 ? 36.475 5.369 11.798 1.00 33.97 ? 618 PHE A CB 1 ATOM 2103 C CG . PHE A 1 277 ? 37.779 5.230 12.508 1.00 32.65 ? 618 PHE A CG 1 ATOM 2104 C CD1 . PHE A 1 277 ? 38.866 4.659 11.874 1.00 32.49 ? 618 PHE A CD1 1 ATOM 2105 C CD2 . PHE A 1 277 ? 37.925 5.675 13.822 1.00 34.23 ? 618 PHE A CD2 1 ATOM 2106 C CE1 . PHE A 1 277 ? 40.090 4.514 12.539 1.00 33.61 ? 618 PHE A CE1 1 ATOM 2107 C CE2 . PHE A 1 277 ? 39.151 5.535 14.500 1.00 34.43 ? 618 PHE A CE2 1 ATOM 2108 C CZ . PHE A 1 277 ? 40.232 4.965 13.851 1.00 33.35 ? 618 PHE A CZ 1 ATOM 2109 N N . GLY A 1 278 ? 34.631 7.697 9.824 1.00 35.84 ? 619 GLY A N 1 ATOM 2110 C CA . GLY A 1 278 ? 33.354 7.933 9.190 1.00 39.38 ? 619 GLY A CA 1 ATOM 2111 C C . GLY A 1 278 ? 33.360 7.751 7.685 1.00 41.50 ? 619 GLY A C 1 ATOM 2112 O O . GLY A 1 278 ? 34.329 7.256 7.108 1.00 41.03 ? 619 GLY A O 1 ATOM 2113 N N . LYS A 1 279 ? 32.268 8.167 7.054 1.00 44.91 ? 620 LYS A N 1 ATOM 2114 C CA . LYS A 1 279 ? 32.061 7.978 5.607 1.00 48.12 ? 620 LYS A CA 1 ATOM 2115 C C . LYS A 1 279 ? 33.308 8.162 4.759 1.00 49.30 ? 620 LYS A C 1 ATOM 2116 O O . LYS A 1 279 ? 33.832 7.205 4.182 1.00 50.89 ? 620 LYS A O 1 ATOM 2117 C CB . LYS A 1 279 ? 30.976 8.907 5.098 1.00 48.61 ? 620 LYS A CB 1 ATOM 2118 C CG . LYS A 1 279 ? 30.703 8.728 3.607 1.00 52.65 ? 620 LYS A CG 1 ATOM 2119 C CD . LYS A 1 279 ? 29.277 9.105 3.253 1.00 57.02 ? 620 LYS A CD 1 ATOM 2120 C CE . LYS A 1 279 ? 28.829 8.410 1.965 1.00 60.00 ? 620 LYS A CE 1 ATOM 2121 N NZ . LYS A 1 279 ? 29.413 9.043 0.744 1.00 62.47 ? 620 LYS A NZ 1 ATOM 2122 N N . ASN A 1 280 ? 33.780 9.397 4.672 1.00 50.33 ? 621 ASN A N 1 ATOM 2123 C CA . ASN A 1 280 ? 34.979 9.690 3.890 1.00 51.57 ? 621 ASN A CA 1 ATOM 2124 C C . ASN A 1 280 ? 36.220 9.741 4.752 1.00 51.17 ? 621 ASN A C 1 ATOM 2125 O O . ASN A 1 280 ? 37.272 10.111 4.268 1.00 51.87 ? 621 ASN A O 1 ATOM 2126 C CB . ASN A 1 280 ? 34.866 11.057 3.211 1.00 52.51 ? 621 ASN A CB 1 ATOM 2127 C CG . ASN A 1 280 ? 33.702 11.142 2.252 1.00 54.72 ? 621 ASN A CG 1 ATOM 2128 O OD1 . ASN A 1 280 ? 33.739 10.569 1.157 1.00 58.11 ? 621 ASN A OD1 1 ATOM 2129 N ND2 . ASN A 1 280 ? 32.659 11.867 2.652 1.00 57.47 ? 621 ASN A ND2 1 ATOM 2130 N N . GLY A 1 281 ? 36.092 9.402 6.053 1.00 50.45 ? 622 GLY A N 1 ATOM 2131 C CA . GLY A 1 281 ? 37.170 9.422 7.081 1.00 49.28 ? 622 GLY A CA 1 ATOM 2132 C C . GLY A 1 281 ? 38.565 8.993 6.555 1.00 48.68 ? 622 GLY A C 1 ATOM 2133 O O . GLY A 1 281 ? 38.667 8.308 5.528 1.00 48.24 ? 622 GLY A O 1 ATOM 2134 N N . LYS A 1 282 ? 39.660 9.424 7.284 1.00 48.04 ? 623 LYS A N 1 ATOM 2135 C CA . LYS A 1 282 ? 41.094 9.260 6.879 1.00 47.87 ? 623 LYS A CA 1 ATOM 2136 C C . LYS A 1 282 ? 41.542 7.828 6.840 1.00 47.33 ? 623 LYS A C 1 ATOM 2137 O O . LYS A 1 282 ? 42.444 7.415 6.106 1.00 47.01 ? 623 LYS A O 1 ATOM 2138 C CB . LYS A 1 282 ? 42.017 10.019 7.824 1.00 48.31 ? 623 LYS A CB 1 ATOM 2139 C CG . LYS A 1 282 ? 41.449 11.358 8.259 1.00 51.05 ? 623 LYS A CG 1 ATOM 2140 C CD . LYS A 1 282 ? 42.347 12.478 7.780 1.00 55.71 ? 623 LYS A CD 1 ATOM 2141 C CE . LYS A 1 282 ? 43.347 12.896 8.855 1.00 58.00 ? 623 LYS A CE 1 ATOM 2142 N NZ . LYS A 1 282 ? 44.661 12.225 8.662 1.00 58.15 ? 623 LYS A NZ 1 ATOM 2143 N N . ASN A 1 283 ? 40.879 7.080 7.699 1.00 46.03 ? 624 ASN A N 1 ATOM 2144 C CA . ASN A 1 283 ? 41.180 5.679 7.790 1.00 45.11 ? 624 ASN A CA 1 ATOM 2145 C C . ASN A 1 283 ? 40.078 4.734 7.354 1.00 43.99 ? 624 ASN A C 1 ATOM 2146 O O . ASN A 1 283 ? 40.142 3.547 7.631 1.00 43.69 ? 624 ASN A O 1 ATOM 2147 C CB . ASN A 1 283 ? 41.612 5.345 9.221 1.00 45.49 ? 624 ASN A CB 1 ATOM 2148 C CG . ASN A 1 283 ? 42.835 6.122 9.615 1.00 48.44 ? 624 ASN A CG 1 ATOM 2149 O OD1 . ASN A 1 283 ? 42.908 6.627 10.749 1.00 51.93 ? 624 ASN A OD1 1 ATOM 2150 N ND2 . ASN A 1 283 ? 43.808 6.234 8.711 1.00 49.32 ? 624 ASN A ND2 1 ATOM 2151 N N . CYS A 1 284 ? 39.058 5.239 6.677 1.00 43.56 ? 625 CYS A N 1 ATOM 2152 C CA . CYS A 1 284 ? 37.991 4.392 6.172 1.00 43.77 ? 625 CYS A CA 1 ATOM 2153 C C . CYS A 1 284 ? 37.982 4.656 4.690 1.00 45.49 ? 625 CYS A C 1 ATOM 2154 O O . CYS A 1 284 ? 37.881 5.808 4.289 1.00 44.90 ? 625 CYS A O 1 ATOM 2155 C CB . CYS A 1 284 ? 36.636 4.771 6.796 1.00 42.85 ? 625 CYS A CB 1 ATOM 2156 S SG . CYS A 1 284 ? 35.184 4.063 5.949 1.00 38.16 ? 625 CYS A SG 1 ATOM 2157 N N . PRO A 1 285 ? 37.992 3.619 3.856 1.00 47.79 ? 626 PRO A N 1 ATOM 2158 C CA . PRO A 1 285 ? 37.883 2.204 4.248 1.00 48.93 ? 626 PRO A CA 1 ATOM 2159 C C . PRO A 1 285 ? 39.201 1.487 4.435 1.00 50.36 ? 626 PRO A C 1 ATOM 2160 O O . PRO A 1 285 ? 39.251 0.259 4.394 1.00 50.72 ? 626 PRO A O 1 ATOM 2161 C CB . PRO A 1 285 ? 37.177 1.569 3.046 1.00 49.28 ? 626 PRO A CB 1 ATOM 2162 C CG . PRO A 1 285 ? 37.168 2.651 1.952 1.00 49.43 ? 626 PRO A CG 1 ATOM 2163 C CD . PRO A 1 285 ? 38.067 3.788 2.397 1.00 48.04 ? 626 PRO A CD 1 ATOM 2164 N N . ASP A 1 286 ? 40.261 2.241 4.655 1.00 51.42 ? 627 ASP A N 1 ATOM 2165 C CA . ASP A 1 286 ? 41.578 1.651 4.788 1.00 52.33 ? 627 ASP A CA 1 ATOM 2166 C C . ASP A 1 286 ? 41.741 0.733 5.967 1.00 51.67 ? 627 ASP A C 1 ATOM 2167 O O . ASP A 1 286 ? 42.052 -0.451 5.803 1.00 52.05 ? 627 ASP A O 1 ATOM 2168 C CB . ASP A 1 286 ? 42.579 2.778 4.853 1.00 53.27 ? 627 ASP A CB 1 ATOM 2169 C CG . ASP A 1 286 ? 42.449 3.668 3.665 1.00 56.82 ? 627 ASP A CG 1 ATOM 2170 O OD1 . ASP A 1 286 ? 42.794 3.153 2.570 1.00 58.06 ? 627 ASP A OD1 1 ATOM 2171 O OD2 . ASP A 1 286 ? 41.937 4.825 3.718 1.00 59.59 ? 627 ASP A OD2 1 ATOM 2172 N N . LYS A 1 287 ? 41.551 1.278 7.158 1.00 50.31 ? 628 LYS A N 1 ATOM 2173 C CA . LYS A 1 287 ? 41.722 0.475 8.348 1.00 49.09 ? 628 LYS A CA 1 ATOM 2174 C C . LYS A 1 287 ? 40.415 0.061 8.996 1.00 47.05 ? 628 LYS A C 1 ATOM 2175 O O . LYS A 1 287 ? 40.242 -1.112 9.330 1.00 47.52 ? 628 LYS A O 1 ATOM 2176 C CB . LYS A 1 287 ? 42.605 1.193 9.365 1.00 49.52 ? 628 LYS A CB 1 ATOM 2177 C CG . LYS A 1 287 ? 44.077 0.897 9.154 1.00 52.79 ? 628 LYS A CG 1 ATOM 2178 C CD . LYS A 1 287 ? 44.762 2.005 8.403 1.00 57.89 ? 628 LYS A CD 1 ATOM 2179 C CE . LYS A 1 287 ? 45.228 3.083 9.383 1.00 60.18 ? 628 LYS A CE 1 ATOM 2180 N NZ . LYS A 1 287 ? 46.013 2.488 10.514 1.00 62.92 ? 628 LYS A NZ 1 ATOM 2181 N N . PHE A 1 288 ? 39.499 1.012 9.164 1.00 43.68 ? 629 PHE A N 1 ATOM 2182 C CA . PHE A 1 288 ? 38.258 0.729 9.882 1.00 40.61 ? 629 PHE A CA 1 ATOM 2183 C C . PHE A 1 288 ? 37.174 1.746 9.531 1.00 38.51 ? 629 PHE A C 1 ATOM 2184 O O . PHE A 1 288 ? 37.433 2.945 9.415 1.00 36.71 ? 629 PHE A O 1 ATOM 2185 C CB . PHE A 1 288 ? 38.542 0.693 11.398 1.00 40.45 ? 629 PHE A CB 1 ATOM 2186 C CG . PHE A 1 288 ? 37.315 0.519 12.254 1.00 40.09 ? 629 PHE A CG 1 ATOM 2187 C CD1 . PHE A 1 288 ? 36.706 -0.728 12.384 1.00 39.42 ? 629 PHE A CD1 1 ATOM 2188 C CD2 . PHE A 1 288 ? 36.772 1.599 12.924 1.00 36.99 ? 629 PHE A CD2 1 ATOM 2189 C CE1 . PHE A 1 288 ? 35.572 -0.889 13.167 1.00 38.71 ? 629 PHE A CE1 1 ATOM 2190 C CE2 . PHE A 1 288 ? 35.653 1.440 13.701 1.00 38.25 ? 629 PHE A CE2 1 ATOM 2191 C CZ . PHE A 1 288 ? 35.046 0.183 13.821 1.00 38.84 ? 629 PHE A CZ 1 ATOM 2192 N N . CYS A 1 289 ? 35.979 1.238 9.280 1.00 36.51 ? 630 CYS A N 1 ATOM 2193 C CA . CYS A 1 289 ? 34.831 2.077 9.012 1.00 35.78 ? 630 CYS A CA 1 ATOM 2194 C C . CYS A 1 289 ? 33.820 1.863 10.133 1.00 35.41 ? 630 CYS A C 1 ATOM 2195 O O . CYS A 1 289 ? 33.234 0.782 10.274 1.00 34.53 ? 630 CYS A O 1 ATOM 2196 C CB . CYS A 1 289 ? 34.206 1.743 7.657 1.00 36.15 ? 630 CYS A CB 1 ATOM 2197 S SG . CYS A 1 289 ? 35.294 2.083 6.242 1.00 37.71 ? 630 CYS A SG 1 ATOM 2198 N N . LEU A 1 290 ? 33.635 2.908 10.920 1.00 34.40 ? 631 LEU A N 1 ATOM 2199 C CA . LEU A 1 290 ? 32.668 2.950 11.993 1.00 34.57 ? 631 LEU A CA 1 ATOM 2200 C C . LEU A 1 290 ? 31.252 2.601 11.531 1.00 34.03 ? 631 LEU A C 1 ATOM 2201 O O . LEU A 1 290 ? 30.480 2.020 12.273 1.00 32.11 ? 631 LEU A O 1 ATOM 2202 C CB . LEU A 1 290 ? 32.597 4.383 12.520 1.00 34.76 ? 631 LEU A CB 1 ATOM 2203 C CG . LEU A 1 290 ? 32.816 4.707 14.006 1.00 37.75 ? 631 LEU A CG 1 ATOM 2204 C CD1 . LEU A 1 290 ? 32.247 6.089 14.366 1.00 36.89 ? 631 LEU A CD1 1 ATOM 2205 C CD2 . LEU A 1 290 ? 32.336 3.642 14.972 1.00 36.53 ? 631 LEU A CD2 1 ATOM 2206 N N . PHE A 1 291 ? 30.891 3.010 10.318 1.00 33.97 ? 632 PHE A N 1 ATOM 2207 C CA . PHE A 1 291 ? 29.506 2.844 9.887 1.00 34.65 ? 632 PHE A CA 1 ATOM 2208 C C . PHE A 1 291 ? 29.275 1.640 8.970 1.00 35.37 ? 632 PHE A C 1 ATOM 2209 O O . PHE A 1 291 ? 28.288 1.580 8.257 1.00 35.96 ? 632 PHE A O 1 ATOM 2210 C CB . PHE A 1 291 ? 28.979 4.156 9.279 1.00 33.93 ? 632 PHE A CB 1 ATOM 2211 C CG . PHE A 1 291 ? 29.124 5.349 10.197 1.00 33.45 ? 632 PHE A CG 1 ATOM 2212 C CD1 . PHE A 1 291 ? 28.819 5.239 11.550 1.00 32.72 ? 632 PHE A CD1 1 ATOM 2213 C CD2 . PHE A 1 291 ? 29.566 6.581 9.708 1.00 31.90 ? 632 PHE A CD2 1 ATOM 2214 C CE1 . PHE A 1 291 ? 28.954 6.298 12.412 1.00 34.59 ? 632 PHE A CE1 1 ATOM 2215 C CE2 . PHE A 1 291 ? 29.708 7.671 10.567 1.00 34.56 ? 632 PHE A CE2 1 ATOM 2216 C CZ . PHE A 1 291 ? 29.406 7.532 11.934 1.00 34.87 ? 632 PHE A CZ 1 ATOM 2217 N N . LYS A 1 292 ? 30.183 0.681 9.022 1.00 36.64 ? 633 LYS A N 1 ATOM 2218 C CA . LYS A 1 292 ? 30.074 -0.557 8.264 1.00 38.50 ? 633 LYS A CA 1 ATOM 2219 C C . LYS A 1 292 ? 30.026 -1.748 9.203 1.00 38.50 ? 633 LYS A C 1 ATOM 2220 O O . LYS A 1 292 ? 30.625 -1.717 10.271 1.00 36.88 ? 633 LYS A O 1 ATOM 2221 C CB . LYS A 1 292 ? 31.309 -0.757 7.381 1.00 39.22 ? 633 LYS A CB 1 ATOM 2222 C CG . LYS A 1 292 ? 31.132 -0.380 5.914 1.00 43.45 ? 633 LYS A CG 1 ATOM 2223 C CD . LYS A 1 292 ? 29.835 0.365 5.687 1.00 49.96 ? 633 LYS A CD 1 ATOM 2224 C CE . LYS A 1 292 ? 30.083 1.827 5.358 1.00 55.10 ? 633 LYS A CE 1 ATOM 2225 N NZ . LYS A 1 292 ? 30.598 2.004 3.938 1.00 57.11 ? 633 LYS A NZ 1 ATOM 2226 N N . SER A 1 293 ? 29.315 -2.783 8.769 1.00 38.99 ? 634 SER A N 1 ATOM 2227 C CA . SER A 1 293 ? 29.243 -4.085 9.436 1.00 41.10 ? 634 SER A CA 1 ATOM 2228 C C . SER A 1 293 ? 28.410 -5.060 8.568 1.00 42.79 ? 634 SER A C 1 ATOM 2229 O O . SER A 1 293 ? 27.628 -5.866 9.063 1.00 43.82 ? 634 SER A O 1 ATOM 2230 C CB . SER A 1 293 ? 28.638 -3.979 10.831 1.00 40.65 ? 634 SER A CB 1 ATOM 2231 O OG . SER A 1 293 ? 27.323 -3.469 10.779 1.00 38.50 ? 634 SER A OG 1 ATOM 2232 N N . GLU A 1 294 ? 28.539 -4.948 7.262 1.00 44.57 ? 635 GLU A N 1 ATOM 2233 C CA . GLU A 1 294 ? 27.835 -5.868 6.365 1.00 46.61 ? 635 GLU A CA 1 ATOM 2234 C C . GLU A 1 294 ? 26.322 -6.051 6.646 1.00 45.90 ? 635 GLU A C 1 ATOM 2235 O O . GLU A 1 294 ? 25.847 -7.180 6.846 1.00 46.21 ? 635 GLU A O 1 ATOM 2236 C CB . GLU A 1 294 ? 28.567 -7.231 6.328 1.00 47.22 ? 635 GLU A CB 1 ATOM 2237 C CG . GLU A 1 294 ? 29.929 -7.196 5.626 1.00 52.18 ? 635 GLU A CG 1 ATOM 2238 C CD . GLU A 1 294 ? 31.098 -7.151 6.593 1.00 59.24 ? 635 GLU A CD 1 ATOM 2239 O OE1 . GLU A 1 294 ? 31.005 -7.811 7.658 1.00 63.10 ? 635 GLU A OE1 1 ATOM 2240 O OE2 . GLU A 1 294 ? 32.110 -6.461 6.295 1.00 61.80 ? 635 GLU A OE2 1 ATOM 2241 N N . THR A 1 295 ? 25.585 -4.938 6.683 1.00 44.87 ? 636 THR A N 1 ATOM 2242 C CA . THR A 1 295 ? 24.119 -4.964 6.747 1.00 43.65 ? 636 THR A CA 1 ATOM 2243 C C . THR A 1 295 ? 23.556 -5.419 8.106 1.00 41.89 ? 636 THR A C 1 ATOM 2244 O O . THR A 1 295 ? 22.358 -5.646 8.262 1.00 42.10 ? 636 THR A O 1 ATOM 2245 C CB . THR A 1 295 ? 23.580 -5.855 5.601 1.00 43.86 ? 636 THR A CB 1 ATOM 2246 O OG1 . THR A 1 295 ? 22.303 -5.372 5.155 1.00 46.05 ? 636 THR A OG1 1 ATOM 2247 C CG2 . THR A 1 295 ? 23.296 -7.263 6.101 1.00 44.19 ? 636 THR A CG2 1 ATOM 2248 N N . LYS A 1 296 ? 24.434 -5.510 9.094 1.00 38.90 ? 637 LYS A N 1 ATOM 2249 C CA . LYS A 1 296 ? 24.061 -5.999 10.393 1.00 35.86 ? 637 LYS A CA 1 ATOM 2250 C C . LYS A 1 296 ? 23.779 -4.880 11.393 1.00 32.46 ? 637 LYS A C 1 ATOM 2251 O O . LYS A 1 296 ? 23.309 -5.121 12.486 1.00 31.97 ? 637 LYS A O 1 ATOM 2252 C CB . LYS A 1 296 ? 25.156 -6.913 10.887 1.00 36.47 ? 637 LYS A CB 1 ATOM 2253 C CG . LYS A 1 296 ? 25.445 -8.019 9.905 1.00 41.82 ? 637 LYS A CG 1 ATOM 2254 C CD . LYS A 1 296 ? 26.653 -8.863 10.340 1.00 48.51 ? 637 LYS A CD 1 ATOM 2255 C CE . LYS A 1 296 ? 26.400 -9.537 11.683 1.00 50.96 ? 637 LYS A CE 1 ATOM 2256 N NZ . LYS A 1 296 ? 26.849 -10.975 11.595 1.00 54.91 ? 637 LYS A NZ 1 ATOM 2257 N N . ASN A 1 297 ? 24.047 -3.660 10.977 1.00 29.40 ? 638 ASN A N 1 ATOM 2258 C CA . ASN A 1 297 ? 23.743 -2.478 11.759 1.00 26.38 ? 638 ASN A CA 1 ATOM 2259 C C . ASN A 1 297 ? 24.309 -2.557 13.185 1.00 24.82 ? 638 ASN A C 1 ATOM 2260 O O . ASN A 1 297 ? 23.575 -2.357 14.156 1.00 25.88 ? 638 ASN A O 1 ATOM 2261 C CB . ASN A 1 297 ? 22.225 -2.231 11.776 1.00 26.30 ? 638 ASN A CB 1 ATOM 2262 C CG . ASN A 1 297 ? 21.622 -1.958 10.368 1.00 26.64 ? 638 ASN A CG 1 ATOM 2263 O OD1 . ASN A 1 297 ? 22.151 -1.156 9.580 1.00 25.76 ? 638 ASN A OD1 1 ATOM 2264 N ND2 . ASN A 1 297 ? 20.467 -2.581 10.090 1.00 23.40 ? 638 ASN A ND2 1 ATOM 2265 N N . LEU A 1 298 ? 25.599 -2.831 13.308 1.00 22.35 ? 639 LEU A N 1 ATOM 2266 C CA . LEU A 1 298 ? 26.260 -3.008 14.615 1.00 23.09 ? 639 LEU A CA 1 ATOM 2267 C C . LEU A 1 298 ? 26.768 -1.642 15.110 1.00 21.93 ? 639 LEU A C 1 ATOM 2268 O O . LEU A 1 298 ? 27.481 -0.970 14.385 1.00 22.01 ? 639 LEU A O 1 ATOM 2269 C CB . LEU A 1 298 ? 27.423 -4.026 14.502 1.00 22.83 ? 639 LEU A CB 1 ATOM 2270 C CG . LEU A 1 298 ? 27.030 -5.448 14.039 1.00 24.18 ? 639 LEU A CG 1 ATOM 2271 C CD1 . LEU A 1 298 ? 28.208 -6.425 14.088 1.00 23.58 ? 639 LEU A CD1 1 ATOM 2272 C CD2 . LEU A 1 298 ? 25.889 -6.056 14.890 1.00 28.23 ? 639 LEU A CD2 1 ATOM 2273 N N . LEU A 1 299 ? 26.343 -1.245 16.303 1.00 21.92 ? 640 LEU A N 1 ATOM 2274 C CA . LEU A 1 299 ? 26.623 0.073 16.959 1.00 21.89 ? 640 LEU A CA 1 ATOM 2275 C C . LEU A 1 299 ? 25.902 1.256 16.347 1.00 21.89 ? 640 LEU A C 1 ATOM 2276 O O . LEU A 1 299 ? 25.358 2.103 17.062 1.00 21.97 ? 640 LEU A O 1 ATOM 2277 C CB . LEU A 1 299 ? 28.110 0.396 17.023 1.00 22.38 ? 640 LEU A CB 1 ATOM 2278 C CG . LEU A 1 299 ? 28.993 -0.673 17.664 1.00 23.01 ? 640 LEU A CG 1 ATOM 2279 C CD1 . LEU A 1 299 ? 30.446 -0.170 17.605 1.00 25.82 ? 640 LEU A CD1 1 ATOM 2280 C CD2 . LEU A 1 299 ? 28.575 -1.004 19.101 1.00 23.26 ? 640 LEU A CD2 1 ATOM 2281 N N . PHE A 1 300 ? 25.944 1.332 15.023 1.00 21.84 ? 641 PHE A N 1 ATOM 2282 C CA . PHE A 1 300 ? 25.290 2.369 14.261 1.00 21.71 ? 641 PHE A CA 1 ATOM 2283 C C . PHE A 1 300 ? 24.572 1.717 13.090 1.00 21.79 ? 641 PHE A C 1 ATOM 2284 O O . PHE A 1 300 ? 24.891 0.591 12.724 1.00 23.10 ? 641 PHE A O 1 ATOM 2285 C CB . PHE A 1 300 ? 26.344 3.350 13.735 1.00 22.07 ? 641 PHE A CB 1 ATOM 2286 C CG . PHE A 1 300 ? 27.116 3.998 14.810 1.00 22.22 ? 641 PHE A CG 1 ATOM 2287 C CD1 . PHE A 1 300 ? 26.565 5.082 15.501 1.00 25.40 ? 641 PHE A CD1 1 ATOM 2288 C CD2 . PHE A 1 300 ? 28.365 3.540 15.162 1.00 20.98 ? 641 PHE A CD2 1 ATOM 2289 C CE1 . PHE A 1 300 ? 27.257 5.699 16.505 1.00 22.50 ? 641 PHE A CE1 1 ATOM 2290 C CE2 . PHE A 1 300 ? 29.058 4.150 16.178 1.00 23.81 ? 641 PHE A CE2 1 ATOM 2291 C CZ . PHE A 1 300 ? 28.497 5.219 16.853 1.00 21.75 ? 641 PHE A CZ 1 ATOM 2292 N N . ASN A 1 301 ? 23.586 2.382 12.504 1.00 21.99 ? 642 ASN A N 1 ATOM 2293 C CA . ASN A 1 301 ? 22.997 1.816 11.278 1.00 24.11 ? 642 ASN A CA 1 ATOM 2294 C C . ASN A 1 301 ? 24.005 1.876 10.132 1.00 25.27 ? 642 ASN A C 1 ATOM 2295 O O . ASN A 1 301 ? 24.754 2.854 10.022 1.00 24.47 ? 642 ASN A O 1 ATOM 2296 C CB . ASN A 1 301 ? 21.725 2.554 10.899 1.00 24.15 ? 642 ASN A CB 1 ATOM 2297 C CG . ASN A 1 301 ? 20.562 2.116 11.743 1.00 24.93 ? 642 ASN A CG 1 ATOM 2298 O OD1 . ASN A 1 301 ? 20.319 0.902 11.903 1.00 22.74 ? 642 ASN A OD1 1 ATOM 2299 N ND2 . ASN A 1 301 ? 19.873 3.080 12.353 1.00 22.31 ? 642 ASN A ND2 1 ATOM 2300 N N . ASP A 1 302 ? 24.050 0.840 9.288 1.00 26.53 ? 643 ASP A N 1 ATOM 2301 C CA . ASP A 1 302 ? 24.976 0.878 8.139 1.00 27.92 ? 643 ASP A CA 1 ATOM 2302 C C . ASP A 1 302 ? 24.689 1.982 7.136 1.00 28.36 ? 643 ASP A C 1 ATOM 2303 O O . ASP A 1 302 ? 25.575 2.321 6.363 1.00 29.41 ? 643 ASP A O 1 ATOM 2304 C CB . ASP A 1 302 ? 25.011 -0.451 7.378 1.00 28.67 ? 643 ASP A CB 1 ATOM 2305 C CG . ASP A 1 302 ? 25.611 -1.580 8.206 1.00 30.96 ? 643 ASP A CG 1 ATOM 2306 O OD1 . ASP A 1 302 ? 26.179 -1.346 9.296 1.00 35.73 ? 643 ASP A OD1 1 ATOM 2307 O OD2 . ASP A 1 302 ? 25.522 -2.745 7.862 1.00 40.60 ? 643 ASP A OD2 1 ATOM 2308 N N . ASN A 1 303 ? 23.481 2.527 7.087 1.00 28.33 ? 644 ASN A N 1 ATOM 2309 C CA . ASN A 1 303 ? 23.262 3.607 6.113 1.00 29.94 ? 644 ASN A CA 1 ATOM 2310 C C . ASN A 1 303 ? 23.612 5.011 6.645 1.00 30.43 ? 644 ASN A C 1 ATOM 2311 O O . ASN A 1 303 ? 23.295 6.015 6.009 1.00 31.07 ? 644 ASN A O 1 ATOM 2312 C CB . ASN A 1 303 ? 21.830 3.599 5.589 1.00 29.68 ? 644 ASN A CB 1 ATOM 2313 C CG . ASN A 1 303 ? 20.827 3.831 6.697 1.00 31.83 ? 644 ASN A CG 1 ATOM 2314 O OD1 . ASN A 1 303 ? 21.206 4.044 7.849 1.00 30.49 ? 644 ASN A OD1 1 ATOM 2315 N ND2 . ASN A 1 303 ? 19.558 3.781 6.366 1.00 31.33 ? 644 ASN A ND2 1 ATOM 2316 N N . THR A 1 304 ? 24.232 5.085 7.819 1.00 29.77 ? 645 THR A N 1 ATOM 2317 C CA . THR A 1 304 ? 24.581 6.378 8.410 1.00 29.72 ? 645 THR A CA 1 ATOM 2318 C C . THR A 1 304 ? 25.658 7.123 7.609 1.00 30.15 ? 645 THR A C 1 ATOM 2319 O O . THR A 1 304 ? 26.758 6.616 7.407 1.00 29.71 ? 645 THR A O 1 ATOM 2320 C CB . THR A 1 304 ? 25.120 6.179 9.859 1.00 30.13 ? 645 THR A CB 1 ATOM 2321 O OG1 . THR A 1 304 ? 24.099 5.598 10.695 1.00 31.03 ? 645 THR A OG1 1 ATOM 2322 C CG2 . THR A 1 304 ? 25.460 7.531 10.507 1.00 27.88 ? 645 THR A CG2 1 ATOM 2323 N N . GLU A 1 305 ? 25.360 8.348 7.205 1.00 30.80 ? 646 GLU A N 1 ATOM 2324 C CA . GLU A 1 305 ? 26.351 9.154 6.525 1.00 32.07 ? 646 GLU A CA 1 ATOM 2325 C C . GLU A 1 305 ? 27.272 9.831 7.544 1.00 32.29 ? 646 GLU A C 1 ATOM 2326 O O . GLU A 1 305 ? 28.487 9.904 7.357 1.00 33.00 ? 646 GLU A O 1 ATOM 2327 C CB . GLU A 1 305 ? 25.671 10.173 5.620 1.00 32.59 ? 646 GLU A CB 1 ATOM 2328 C CG . GLU A 1 305 ? 26.668 10.976 4.818 1.00 38.53 ? 646 GLU A CG 1 ATOM 2329 C CD . GLU A 1 305 ? 26.056 12.143 4.081 1.00 45.31 ? 646 GLU A CD 1 ATOM 2330 O OE1 . GLU A 1 305 ? 24.803 12.217 3.941 1.00 48.30 ? 646 GLU A OE1 1 ATOM 2331 O OE2 . GLU A 1 305 ? 26.853 12.996 3.638 1.00 50.11 ? 646 GLU A OE2 1 ATOM 2332 N N . CYS A 1 306 ? 26.700 10.309 8.642 1.00 31.78 ? 647 CYS A N 1 ATOM 2333 C CA . CYS A 1 306 ? 27.501 10.894 9.712 1.00 31.13 ? 647 CYS A CA 1 ATOM 2334 C C . CYS A 1 306 ? 26.640 11.003 10.951 1.00 30.30 ? 647 CYS A C 1 ATOM 2335 O O . CYS A 1 306 ? 25.427 10.767 10.898 1.00 30.84 ? 647 CYS A O 1 ATOM 2336 C CB . CYS A 1 306 ? 27.991 12.320 9.337 1.00 30.49 ? 647 CYS A CB 1 ATOM 2337 S SG . CYS A 1 306 ? 26.697 13.577 9.391 1.00 32.80 ? 647 CYS A SG 1 ATOM 2338 N N . LEU A 1 307 ? 27.280 11.377 12.052 1.00 29.28 ? 648 LEU A N 1 ATOM 2339 C CA . LEU A 1 307 ? 26.589 11.769 13.252 1.00 29.31 ? 648 LEU A CA 1 ATOM 2340 C C . LEU A 1 307 ? 26.534 13.300 13.192 1.00 29.66 ? 648 LEU A C 1 ATOM 2341 O O . LEU A 1 307 ? 27.571 13.964 13.004 1.00 29.59 ? 648 LEU A O 1 ATOM 2342 C CB . LEU A 1 307 ? 27.372 11.319 14.483 1.00 29.91 ? 648 LEU A CB 1 ATOM 2343 C CG . LEU A 1 307 ? 27.535 9.794 14.538 1.00 29.91 ? 648 LEU A CG 1 ATOM 2344 C CD1 . LEU A 1 307 ? 28.578 9.395 15.559 1.00 32.09 ? 648 LEU A CD1 1 ATOM 2345 C CD2 . LEU A 1 307 ? 26.186 9.168 14.849 1.00 31.18 ? 648 LEU A CD2 1 ATOM 2346 N N . ALA A 1 308 ? 25.340 13.848 13.379 1.00 29.03 ? 649 ALA A N 1 ATOM 2347 C CA . ALA A 1 308 ? 25.097 15.286 13.287 1.00 29.41 ? 649 ALA A CA 1 ATOM 2348 C C . ALA A 1 308 ? 24.829 15.954 14.642 1.00 30.30 ? 649 ALA A C 1 ATOM 2349 O O . ALA A 1 308 ? 24.260 15.339 15.575 1.00 28.45 ? 649 ALA A O 1 ATOM 2350 C CB . ALA A 1 308 ? 23.911 15.542 12.372 1.00 28.00 ? 649 ALA A CB 1 ATOM 2351 N N . LYS A 1 309 ? 25.190 17.238 14.724 1.00 30.76 ? 650 LYS A N 1 ATOM 2352 C CA . LYS A 1 309 ? 24.938 18.023 15.938 1.00 31.58 ? 650 LYS A CA 1 ATOM 2353 C C . LYS A 1 309 ? 23.464 18.308 16.023 1.00 31.47 ? 650 LYS A C 1 ATOM 2354 O O . LYS A 1 309 ? 22.774 18.371 14.999 1.00 32.20 ? 650 LYS A O 1 ATOM 2355 C CB . LYS A 1 309 ? 25.698 19.363 15.916 1.00 31.55 ? 650 LYS A CB 1 ATOM 2356 C CG . LYS A 1 309 ? 27.215 19.229 16.014 1.00 33.88 ? 650 LYS A CG 1 ATOM 2357 C CD . LYS A 1 309 ? 27.862 20.590 16.094 1.00 38.40 ? 650 LYS A CD 1 ATOM 2358 C CE . LYS A 1 309 ? 29.208 20.597 15.398 1.00 41.10 ? 650 LYS A CE 1 ATOM 2359 N NZ . LYS A 1 309 ? 30.251 21.280 16.218 1.00 44.25 ? 650 LYS A NZ 1 ATOM 2360 N N . LEU A 1 310 ? 22.955 18.467 17.237 1.00 31.98 ? 651 LEU A N 1 ATOM 2361 C CA . LEU A 1 310 ? 21.550 18.740 17.444 1.00 34.41 ? 651 LEU A CA 1 ATOM 2362 C C . LEU A 1 310 ? 21.228 20.238 17.563 1.00 35.92 ? 651 LEU A C 1 ATOM 2363 O O . LEU A 1 310 ? 21.678 20.917 18.491 1.00 37.34 ? 651 LEU A O 1 ATOM 2364 C CB . LEU A 1 310 ? 21.042 17.986 18.683 1.00 33.16 ? 651 LEU A CB 1 ATOM 2365 C CG . LEU A 1 310 ? 21.345 16.491 18.580 1.00 33.98 ? 651 LEU A CG 1 ATOM 2366 C CD1 . LEU A 1 310 ? 20.833 15.744 19.781 1.00 34.35 ? 651 LEU A CD1 1 ATOM 2367 C CD2 . LEU A 1 310 ? 20.668 15.978 17.330 1.00 32.27 ? 651 LEU A CD2 1 ATOM 2368 N N . GLY A 1 311 ? 20.414 20.677 16.649 1.00 36.84 ? 652 GLY A N 1 ATOM 2369 C CA . GLY A 1 311 ? 20.049 22.067 16.590 1.00 37.51 ? 652 GLY A CA 1 ATOM 2370 C C . GLY A 1 311 ? 19.101 22.544 17.701 1.00 38.28 ? 652 GLY A C 1 ATOM 2371 O O . GLY A 1 311 ? 17.878 22.496 17.526 1.00 39.13 ? 652 GLY A O 1 ATOM 2372 N N . GLY A 1 312 ? 19.638 23.015 18.797 1.00 37.55 ? 653 GLY A N 1 ATOM 2373 C CA . GLY A 1 312 ? 18.744 23.551 19.826 1.00 36.88 ? 653 GLY A CA 1 ATOM 2374 C C . GLY A 1 312 ? 19.034 23.071 21.231 1.00 35.76 ? 653 GLY A C 1 ATOM 2375 O O . GLY A 1 312 ? 18.357 23.480 22.161 1.00 36.27 ? 653 GLY A O 1 ATOM 2376 N N . ARG A 1 313 ? 20.033 22.208 21.395 1.00 34.19 ? 654 ARG A N 1 ATOM 2377 C CA . ARG A 1 313 ? 20.365 21.612 22.692 1.00 33.31 ? 654 ARG A CA 1 ATOM 2378 C C . ARG A 1 313 ? 19.053 21.056 23.248 1.00 31.24 ? 654 ARG A C 1 ATOM 2379 O O . ARG A 1 313 ? 18.498 21.529 24.236 1.00 29.95 ? 654 ARG A O 1 ATOM 2380 C CB . ARG A 1 313 ? 21.062 22.619 23.618 1.00 34.76 ? 654 ARG A CB 1 ATOM 2381 C CG . ARG A 1 313 ? 22.571 22.427 23.733 1.00 40.30 ? 654 ARG A CG 1 ATOM 2382 C CD . ARG A 1 313 ? 23.276 23.707 24.155 1.00 47.24 ? 654 ARG A CD 1 ATOM 2383 N NE . ARG A 1 313 ? 24.710 23.719 23.785 1.00 51.92 ? 654 ARG A NE 1 ATOM 2384 C CZ . ARG A 1 313 ? 25.669 23.094 24.447 1.00 55.10 ? 654 ARG A CZ 1 ATOM 2385 N NH1 . ARG A 1 313 ? 25.381 22.406 25.537 1.00 55.02 ? 654 ARG A NH1 1 ATOM 2386 N NH2 . ARG A 1 313 ? 26.918 23.165 24.027 1.00 57.44 ? 654 ARG A NH2 1 ATOM 2387 N N . PRO A 1 314 ? 18.624 19.992 22.542 1.00 28.82 ? 655 PRO A N 1 ATOM 2388 C CA . PRO A 1 314 ? 17.311 19.340 22.800 1.00 28.21 ? 655 PRO A CA 1 ATOM 2389 C C . PRO A 1 314 ? 17.185 18.677 24.089 1.00 27.72 ? 655 PRO A C 1 ATOM 2390 O O . PRO A 1 314 ? 18.126 18.000 24.476 1.00 27.39 ? 655 PRO A O 1 ATOM 2391 C CB . PRO A 1 314 ? 17.176 18.206 21.805 1.00 28.53 ? 655 PRO A CB 1 ATOM 2392 C CG . PRO A 1 314 ? 17.670 18.866 20.617 1.00 28.69 ? 655 PRO A CG 1 ATOM 2393 C CD . PRO A 1 314 ? 18.524 20.044 21.044 1.00 29.22 ? 655 PRO A CD 1 ATOM 2394 N N . THR A 1 315 ? 16.133 18.806 24.789 1.00 27.34 ? 656 THR A N 1 ATOM 2395 C CA . THR A 1 315 ? 15.985 17.765 25.766 1.00 26.53 ? 656 THR A CA 1 ATOM 2396 C C . THR A 1 315 ? 15.506 16.490 25.016 1.00 26.94 ? 656 THR A C 1 ATOM 2397 O O . THR A 1 315 ? 15.230 16.507 23.811 1.00 25.54 ? 656 THR A O 1 ATOM 2398 C CB . THR A 1 315 ? 14.934 18.105 26.776 1.00 27.70 ? 656 THR A CB 1 ATOM 2399 O OG1 . THR A 1 315 ? 13.683 18.204 26.092 1.00 27.48 ? 656 THR A OG1 1 ATOM 2400 C CG2 . THR A 1 315 ? 15.177 19.495 27.457 1.00 26.42 ? 656 THR A CG2 1 ATOM 2401 N N . TYR A 1 316 ? 15.371 15.395 25.736 1.00 26.44 ? 657 TYR A N 1 ATOM 2402 C CA . TYR A 1 316 ? 14.959 14.177 25.060 1.00 28.00 ? 657 TYR A CA 1 ATOM 2403 C C . TYR A 1 316 ? 13.501 14.294 24.538 1.00 28.15 ? 657 TYR A C 1 ATOM 2404 O O . TYR A 1 316 ? 13.162 13.755 23.466 1.00 27.19 ? 657 TYR A O 1 ATOM 2405 C CB . TYR A 1 316 ? 15.164 12.964 25.974 1.00 28.50 ? 657 TYR A CB 1 ATOM 2406 C CG . TYR A 1 316 ? 14.040 12.738 26.935 1.00 30.22 ? 657 TYR A CG 1 ATOM 2407 C CD1 . TYR A 1 316 ? 12.990 11.891 26.601 1.00 31.71 ? 657 TYR A CD1 1 ATOM 2408 C CD2 . TYR A 1 316 ? 14.010 13.374 28.173 1.00 30.10 ? 657 TYR A CD2 1 ATOM 2409 C CE1 . TYR A 1 316 ? 11.942 11.676 27.481 1.00 34.40 ? 657 TYR A CE1 1 ATOM 2410 C CE2 . TYR A 1 316 ? 12.961 13.157 29.070 1.00 29.00 ? 657 TYR A CE2 1 ATOM 2411 C CZ . TYR A 1 316 ? 11.950 12.317 28.722 1.00 34.26 ? 657 TYR A CZ 1 ATOM 2412 O OH . TYR A 1 316 ? 10.902 12.102 29.586 1.00 37.54 ? 657 TYR A OH 1 ATOM 2413 N N . GLU A 1 317 ? 12.661 15.007 25.284 1.00 28.23 ? 658 GLU A N 1 ATOM 2414 C CA . GLU A 1 317 ? 11.282 15.241 24.872 1.00 29.67 ? 658 GLU A CA 1 ATOM 2415 C C . GLU A 1 317 ? 11.206 16.064 23.600 1.00 28.83 ? 658 GLU A C 1 ATOM 2416 O O . GLU A 1 317 ? 10.390 15.761 22.705 1.00 28.63 ? 658 GLU A O 1 ATOM 2417 C CB . GLU A 1 317 ? 10.459 15.902 25.988 1.00 31.34 ? 658 GLU A CB 1 ATOM 2418 C CG . GLU A 1 317 ? 10.192 14.983 27.187 1.00 36.93 ? 658 GLU A CG 1 ATOM 2419 C CD . GLU A 1 317 ? 9.235 15.609 28.205 1.00 45.19 ? 658 GLU A CD 1 ATOM 2420 O OE1 . GLU A 1 317 ? 9.399 16.821 28.511 1.00 47.49 ? 658 GLU A OE1 1 ATOM 2421 O OE2 . GLU A 1 317 ? 8.309 14.894 28.690 1.00 47.14 ? 658 GLU A OE2 1 ATOM 2422 N N . GLU A 1 318 ? 12.036 17.102 23.527 1.00 27.48 ? 659 GLU A N 1 ATOM 2423 C CA . GLU A 1 318 ? 12.122 17.923 22.326 1.00 28.73 ? 659 GLU A CA 1 ATOM 2424 C C . GLU A 1 318 ? 12.748 17.130 21.180 1.00 28.65 ? 659 GLU A C 1 ATOM 2425 O O . GLU A 1 318 ? 12.397 17.334 20.030 1.00 28.77 ? 659 GLU A O 1 ATOM 2426 C CB . GLU A 1 318 ? 12.947 19.204 22.547 1.00 28.45 ? 659 GLU A CB 1 ATOM 2427 C CG . GLU A 1 318 ? 12.415 20.157 23.625 1.00 28.88 ? 659 GLU A CG 1 ATOM 2428 C CD . GLU A 1 318 ? 13.370 21.313 23.855 1.00 29.32 ? 659 GLU A CD 1 ATOM 2429 O OE1 . GLU A 1 318 ? 14.551 21.054 24.164 1.00 25.05 ? 659 GLU A OE1 1 ATOM 2430 O OE2 . GLU A 1 318 ? 12.938 22.479 23.702 1.00 30.01 ? 659 GLU A OE2 1 ATOM 2431 N N . TYR A 1 319 ? 13.709 16.267 21.486 1.00 28.58 ? 660 TYR A N 1 ATOM 2432 C CA . TYR A 1 319 ? 14.322 15.468 20.425 1.00 28.10 ? 660 TYR A CA 1 ATOM 2433 C C . TYR A 1 319 ? 13.290 14.478 19.873 1.00 27.87 ? 660 TYR A C 1 ATOM 2434 O O . TYR A 1 319 ? 13.192 14.302 18.676 1.00 27.57 ? 660 TYR A O 1 ATOM 2435 C CB . TYR A 1 319 ? 15.570 14.693 20.900 1.00 27.84 ? 660 TYR A CB 1 ATOM 2436 C CG . TYR A 1 319 ? 16.164 13.894 19.752 1.00 27.47 ? 660 TYR A CG 1 ATOM 2437 C CD1 . TYR A 1 319 ? 16.902 14.532 18.758 1.00 27.98 ? 660 TYR A CD1 1 ATOM 2438 C CD2 . TYR A 1 319 ? 15.878 12.543 19.597 1.00 25.71 ? 660 TYR A CD2 1 ATOM 2439 C CE1 . TYR A 1 319 ? 17.390 13.841 17.676 1.00 28.48 ? 660 TYR A CE1 1 ATOM 2440 C CE2 . TYR A 1 319 ? 16.360 11.842 18.529 1.00 23.88 ? 660 TYR A CE2 1 ATOM 2441 C CZ . TYR A 1 319 ? 17.099 12.484 17.569 1.00 25.87 ? 660 TYR A CZ 1 ATOM 2442 O OH . TYR A 1 319 ? 17.588 11.806 16.499 1.00 24.54 ? 660 TYR A OH 1 ATOM 2443 N N . LEU A 1 320 ? 12.528 13.833 20.740 1.00 27.14 ? 661 LEU A N 1 ATOM 2444 C CA . LEU A 1 320 ? 11.597 12.856 20.257 1.00 28.48 ? 661 LEU A CA 1 ATOM 2445 C C . LEU A 1 320 ? 10.394 13.527 19.569 1.00 29.66 ? 661 LEU A C 1 ATOM 2446 O O . LEU A 1 320 ? 9.867 12.977 18.619 1.00 27.77 ? 661 LEU A O 1 ATOM 2447 C CB . LEU A 1 320 ? 11.149 11.892 21.362 1.00 27.81 ? 661 LEU A CB 1 ATOM 2448 C CG . LEU A 1 320 ? 12.276 11.010 21.906 1.00 27.77 ? 661 LEU A CG 1 ATOM 2449 C CD1 . LEU A 1 320 ? 11.715 10.090 23.001 1.00 26.23 ? 661 LEU A CD1 1 ATOM 2450 C CD2 . LEU A 1 320 ? 13.005 10.171 20.788 1.00 26.11 ? 661 LEU A CD2 1 ATOM 2451 N N . GLY A 1 321 ? 9.985 14.701 20.077 1.00 30.65 ? 662 GLY A N 1 ATOM 2452 C CA . GLY A 1 321 ? 8.827 15.426 19.573 1.00 31.93 ? 662 GLY A CA 1 ATOM 2453 C C . GLY A 1 321 ? 7.581 15.048 20.363 1.00 33.67 ? 662 GLY A C 1 ATOM 2454 O O . GLY A 1 321 ? 7.412 13.869 20.774 1.00 31.86 ? 662 GLY A O 1 ATOM 2455 N N . THR A 1 322 ? 6.683 16.020 20.555 1.00 35.12 ? 663 THR A N 1 ATOM 2456 C CA . THR A 1 322 ? 5.474 15.803 21.371 1.00 37.48 ? 663 THR A CA 1 ATOM 2457 C C . THR A 1 322 ? 4.532 14.780 20.769 1.00 37.46 ? 663 THR A C 1 ATOM 2458 O O . THR A 1 322 ? 3.849 14.072 21.477 1.00 38.68 ? 663 THR A O 1 ATOM 2459 C CB . THR A 1 322 ? 4.668 17.111 21.617 1.00 37.94 ? 663 THR A CB 1 ATOM 2460 O OG1 . THR A 1 322 ? 4.465 17.782 20.365 1.00 40.15 ? 663 THR A OG1 1 ATOM 2461 C CG2 . THR A 1 322 ? 5.461 18.108 22.462 1.00 38.62 ? 663 THR A CG2 1 ATOM 2462 N N . GLU A 1 323 ? 4.468 14.699 19.428 1.00 38.35 ? 664 GLU A N 1 ATOM 2463 C CA . GLU A 1 323 ? 3.543 13.709 18.896 1.00 40.23 ? 664 GLU A CA 1 ATOM 2464 C C . GLU A 1 323 ? 4.107 12.290 19.242 1.00 39.23 ? 664 GLU A C 1 ATOM 2465 O O . GLU A 1 323 ? 3.328 11.456 19.683 1.00 39.34 ? 664 GLU A O 1 ATOM 2466 C CB . GLU A 1 323 ? 3.223 13.948 17.367 1.00 41.38 ? 664 GLU A CB 1 ATOM 2467 C CG . GLU A 1 323 ? 4.132 13.079 16.446 1.00 48.22 ? 664 GLU A CG 1 ATOM 2468 C CD . GLU A 1 323 ? 3.751 12.830 14.964 1.00 55.80 ? 664 GLU A CD 1 ATOM 2469 O OE1 . GLU A 1 323 ? 2.602 12.457 14.684 1.00 57.48 ? 664 GLU A OE1 1 ATOM 2470 O OE2 . GLU A 1 323 ? 4.637 13.004 14.112 1.00 57.93 ? 664 GLU A OE2 1 ATOM 2471 N N . TYR A 1 324 ? 5.423 11.999 19.057 1.00 38.04 ? 665 TYR A N 1 ATOM 2472 C CA . TYR A 1 324 ? 5.932 10.665 19.432 1.00 36.75 ? 665 TYR A CA 1 ATOM 2473 C C . TYR A 1 324 ? 5.850 10.361 20.923 1.00 36.81 ? 665 TYR A C 1 ATOM 2474 O O . TYR A 1 324 ? 5.425 9.280 21.322 1.00 36.40 ? 665 TYR A O 1 ATOM 2475 C CB . TYR A 1 324 ? 7.342 10.451 18.885 1.00 35.90 ? 665 TYR A CB 1 ATOM 2476 C CG . TYR A 1 324 ? 7.882 9.043 19.073 1.00 33.97 ? 665 TYR A CG 1 ATOM 2477 C CD1 . TYR A 1 324 ? 7.095 7.913 18.827 1.00 33.93 ? 665 TYR A CD1 1 ATOM 2478 C CD2 . TYR A 1 324 ? 9.179 8.849 19.486 1.00 34.33 ? 665 TYR A CD2 1 ATOM 2479 C CE1 . TYR A 1 324 ? 7.607 6.623 19.025 1.00 33.60 ? 665 TYR A CE1 1 ATOM 2480 C CE2 . TYR A 1 324 ? 9.708 7.562 19.681 1.00 34.13 ? 665 TYR A CE2 1 ATOM 2481 C CZ . TYR A 1 324 ? 8.921 6.462 19.458 1.00 32.36 ? 665 TYR A CZ 1 ATOM 2482 O OH . TYR A 1 324 ? 9.474 5.212 19.675 1.00 30.51 ? 665 TYR A OH 1 ATOM 2483 N N . VAL A 1 325 ? 6.234 11.324 21.755 1.00 37.99 ? 666 VAL A N 1 ATOM 2484 C CA . VAL A 1 325 ? 6.206 11.144 23.204 1.00 39.38 ? 666 VAL A CA 1 ATOM 2485 C C . VAL A 1 325 ? 4.813 10.816 23.720 1.00 40.37 ? 666 VAL A C 1 ATOM 2486 O O . VAL A 1 325 ? 4.654 9.997 24.613 1.00 40.89 ? 666 VAL A O 1 ATOM 2487 C CB . VAL A 1 325 ? 6.782 12.397 23.955 1.00 39.81 ? 666 VAL A CB 1 ATOM 2488 C CG1 . VAL A 1 325 ? 6.525 12.327 25.447 1.00 38.92 ? 666 VAL A CG1 1 ATOM 2489 C CG2 . VAL A 1 325 ? 8.269 12.549 23.693 1.00 39.01 ? 666 VAL A CG2 1 ATOM 2490 N N . THR A 1 326 ? 3.775 11.422 23.169 1.00 41.91 ? 667 THR A N 1 ATOM 2491 C CA . THR A 1 326 ? 2.478 11.087 23.743 1.00 43.05 ? 667 THR A CA 1 ATOM 2492 C C . THR A 1 326 ? 2.022 9.711 23.295 1.00 42.63 ? 667 THR A C 1 ATOM 2493 O O . THR A 1 326 ? 1.390 8.981 24.056 1.00 43.42 ? 667 THR A O 1 ATOM 2494 C CB . THR A 1 326 ? 1.423 12.198 23.547 1.00 43.37 ? 667 THR A CB 1 ATOM 2495 O OG1 . THR A 1 326 ? 1.283 12.523 22.157 1.00 46.27 ? 667 THR A OG1 1 ATOM 2496 C CG2 . THR A 1 326 ? 1.937 13.483 24.169 1.00 43.58 ? 667 THR A CG2 1 ATOM 2497 N N . ALA A 1 327 ? 2.390 9.330 22.086 1.00 42.27 ? 668 ALA A N 1 ATOM 2498 C CA . ALA A 1 327 ? 2.104 7.975 21.635 1.00 41.74 ? 668 ALA A CA 1 ATOM 2499 C C . ALA A 1 327 ? 2.697 6.955 22.614 1.00 41.29 ? 668 ALA A C 1 ATOM 2500 O O . ALA A 1 327 ? 1.998 6.057 23.076 1.00 40.97 ? 668 ALA A O 1 ATOM 2501 C CB . ALA A 1 327 ? 2.631 7.770 20.240 1.00 41.97 ? 668 ALA A CB 1 ATOM 2502 N N . ILE A 1 328 ? 3.971 7.106 22.967 1.00 41.16 ? 669 ILE A N 1 ATOM 2503 C CA . ILE A 1 328 ? 4.585 6.156 23.897 1.00 41.10 ? 669 ILE A CA 1 ATOM 2504 C C . ILE A 1 328 ? 3.923 6.139 25.266 1.00 41.86 ? 669 ILE A C 1 ATOM 2505 O O . ILE A 1 328 ? 3.671 5.067 25.825 1.00 42.48 ? 669 ILE A O 1 ATOM 2506 C CB . ILE A 1 328 ? 6.081 6.425 24.097 1.00 41.06 ? 669 ILE A CB 1 ATOM 2507 C CG1 . ILE A 1 328 ? 6.821 6.357 22.776 1.00 39.07 ? 669 ILE A CG1 1 ATOM 2508 C CG2 . ILE A 1 328 ? 6.679 5.420 25.093 1.00 39.48 ? 669 ILE A CG2 1 ATOM 2509 C CD1 . ILE A 1 328 ? 8.228 6.854 22.913 1.00 38.57 ? 669 ILE A CD1 1 ATOM 2510 N N . ALA A 1 329 ? 3.683 7.322 25.825 1.00 42.45 ? 670 ALA A N 1 ATOM 2511 C CA . ALA A 1 329 ? 3.077 7.430 27.152 1.00 42.53 ? 670 ALA A CA 1 ATOM 2512 C C . ALA A 1 329 ? 1.783 6.641 27.167 1.00 42.31 ? 670 ALA A C 1 ATOM 2513 O O . ALA A 1 329 ? 1.540 5.853 28.075 1.00 42.35 ? 670 ALA A O 1 ATOM 2514 C CB . ALA A 1 329 ? 2.802 8.907 27.510 1.00 42.67 ? 670 ALA A CB 1 ATOM 2515 N N . ASN A 1 330 ? 0.964 6.851 26.143 1.00 42.36 ? 671 ASN A N 1 ATOM 2516 C CA . ASN A 1 330 ? -0.315 6.167 26.051 1.00 42.89 ? 671 ASN A CA 1 ATOM 2517 C C . ASN A 1 330 ? -0.177 4.652 26.004 1.00 42.97 ? 671 ASN A C 1 ATOM 2518 O O . ASN A 1 330 ? -0.862 3.955 26.740 1.00 42.81 ? 671 ASN A O 1 ATOM 2519 C CB . ASN A 1 330 ? -1.127 6.679 24.855 1.00 43.42 ? 671 ASN A CB 1 ATOM 2520 C CG . ASN A 1 330 ? -2.013 7.912 25.209 1.00 46.69 ? 671 ASN A CG 1 ATOM 2521 O OD1 . ASN A 1 330 ? -2.852 7.857 26.121 1.00 49.54 ? 671 ASN A OD1 1 ATOM 2522 N ND2 . ASN A 1 330 ? -1.835 9.004 24.475 1.00 47.75 ? 671 ASN A ND2 1 ATOM 2523 N N . LEU A 1 331 ? 0.706 4.139 25.142 1.00 42.26 ? 672 LEU A N 1 ATOM 2524 C CA . LEU A 1 331 ? 0.910 2.695 25.042 1.00 41.80 ? 672 LEU A CA 1 ATOM 2525 C C . LEU A 1 331 ? 1.440 2.125 26.355 1.00 42.56 ? 672 LEU A C 1 ATOM 2526 O O . LEU A 1 331 ? 1.068 1.021 26.756 1.00 40.91 ? 672 LEU A O 1 ATOM 2527 C CB . LEU A 1 331 ? 1.875 2.357 23.892 1.00 40.47 ? 672 LEU A CB 1 ATOM 2528 C CG . LEU A 1 331 ? 2.453 0.937 23.735 1.00 39.95 ? 672 LEU A CG 1 ATOM 2529 C CD1 . LEU A 1 331 ? 1.370 -0.063 23.454 1.00 36.46 ? 672 LEU A CD1 1 ATOM 2530 C CD2 . LEU A 1 331 ? 3.530 0.892 22.623 1.00 36.87 ? 672 LEU A CD2 1 ATOM 2531 N N . LYS A 1 332 ? 2.299 2.882 27.033 1.00 44.67 ? 673 LYS A N 1 ATOM 2532 C CA . LYS A 1 332 ? 2.911 2.344 28.241 1.00 47.52 ? 673 LYS A CA 1 ATOM 2533 C C . LYS A 1 332 ? 1.936 2.303 29.420 1.00 48.75 ? 673 LYS A C 1 ATOM 2534 O O . LYS A 1 332 ? 2.226 1.697 30.453 1.00 49.11 ? 673 LYS A O 1 ATOM 2535 C CB . LYS A 1 332 ? 4.270 2.998 28.547 1.00 48.04 ? 673 LYS A CB 1 ATOM 2536 C CG . LYS A 1 332 ? 5.385 2.472 27.598 1.00 50.97 ? 673 LYS A CG 1 ATOM 2537 C CD . LYS A 1 332 ? 6.791 3.013 27.886 1.00 55.06 ? 673 LYS A CD 1 ATOM 2538 C CE . LYS A 1 332 ? 7.865 1.976 27.506 1.00 57.55 ? 673 LYS A CE 1 ATOM 2539 N NZ . LYS A 1 332 ? 9.268 2.517 27.582 1.00 61.79 ? 673 LYS A NZ 1 ATOM 2540 N N . LYS A 1 333 ? 0.757 2.896 29.235 1.00 50.03 ? 674 LYS A N 1 ATOM 2541 C CA . LYS A 1 333 ? -0.312 2.777 30.224 1.00 51.86 ? 674 LYS A CA 1 ATOM 2542 C C . LYS A 1 333 ? -0.836 1.359 30.266 1.00 52.58 ? 674 LYS A C 1 ATOM 2543 O O . LYS A 1 333 ? -1.558 0.980 31.183 1.00 53.20 ? 674 LYS A O 1 ATOM 2544 C CB . LYS A 1 333 ? -1.466 3.739 29.912 1.00 52.42 ? 674 LYS A CB 1 ATOM 2545 C CG . LYS A 1 333 ? -1.129 5.209 30.106 1.00 54.28 ? 674 LYS A CG 1 ATOM 2546 C CD . LYS A 1 333 ? -2.333 6.013 30.612 1.00 59.41 ? 674 LYS A CD 1 ATOM 2547 C CE . LYS A 1 333 ? -3.245 6.485 29.484 1.00 61.06 ? 674 LYS A CE 1 ATOM 2548 N NZ . LYS A 1 333 ? -2.922 7.878 29.040 1.00 62.31 ? 674 LYS A NZ 1 ATOM 2549 N N . CYS A 1 334 ? -0.460 0.569 29.267 1.00 52.98 ? 675 CYS A N 1 ATOM 2550 C CA . CYS A 1 334 ? -0.884 -0.812 29.190 1.00 53.79 ? 675 CYS A CA 1 ATOM 2551 C C . CYS A 1 334 ? 0.138 -1.775 29.763 1.00 55.18 ? 675 CYS A C 1 ATOM 2552 O O . CYS A 1 334 ? -0.216 -2.832 30.289 1.00 55.51 ? 675 CYS A O 1 ATOM 2553 C CB . CYS A 1 334 ? -1.050 -1.241 27.732 1.00 53.25 ? 675 CYS A CB 1 ATOM 2554 S SG . CYS A 1 334 ? -2.460 -0.588 26.853 1.00 51.11 ? 675 CYS A SG 1 ATOM 2555 N N . SER A 1 335 ? 1.412 -1.433 29.629 1.00 56.85 ? 676 SER A N 1 ATOM 2556 C CA . SER A 1 335 ? 2.474 -2.403 29.883 1.00 57.80 ? 676 SER A CA 1 ATOM 2557 C C . SER A 1 335 ? 3.164 -2.235 31.243 1.00 58.25 ? 676 SER A C 1 ATOM 2558 O O . SER A 1 335 ? 2.505 -2.130 32.288 1.00 58.91 ? 676 SER A O 1 ATOM 2559 C CB . SER A 1 335 ? 3.490 -2.307 28.734 1.00 58.40 ? 676 SER A CB 1 ATOM 2560 O OG . SER A 1 335 ? 3.014 -1.423 27.700 1.00 57.88 ? 676 SER A OG 1 ATOM 2561 N N . LEU A 1 340 ? 4.149 7.915 34.522 1.00 74.30 ? 681 LEU A N 1 ATOM 2562 C CA . LEU A 1 340 ? 4.923 8.568 33.468 1.00 74.26 ? 681 LEU A CA 1 ATOM 2563 C C . LEU A 1 340 ? 6.227 9.150 34.038 1.00 73.81 ? 681 LEU A C 1 ATOM 2564 O O . LEU A 1 340 ? 7.322 8.892 33.515 1.00 73.91 ? 681 LEU A O 1 ATOM 2565 C CB . LEU A 1 340 ? 4.081 9.642 32.761 1.00 74.36 ? 681 LEU A CB 1 ATOM 2566 C CG . LEU A 1 340 ? 2.975 9.206 31.775 1.00 75.12 ? 681 LEU A CG 1 ATOM 2567 C CD1 . LEU A 1 340 ? 1.731 8.599 32.451 1.00 75.79 ? 681 LEU A CD1 1 ATOM 2568 C CD2 . LEU A 1 340 ? 2.554 10.371 30.879 1.00 74.65 ? 681 LEU A CD2 1 ATOM 2569 N N . GLU A 1 341 ? 6.094 9.910 35.124 1.00 72.91 ? 682 GLU A N 1 ATOM 2570 C CA . GLU A 1 341 ? 7.219 10.506 35.844 1.00 71.85 ? 682 GLU A CA 1 ATOM 2571 C C . GLU A 1 341 ? 7.999 9.412 36.598 1.00 70.51 ? 682 GLU A C 1 ATOM 2572 O O . GLU A 1 341 ? 7.672 9.096 37.755 1.00 70.78 ? 682 GLU A O 1 ATOM 2573 C CB . GLU A 1 341 ? 6.669 11.572 36.805 1.00 72.28 ? 682 GLU A CB 1 ATOM 2574 C CG . GLU A 1 341 ? 7.656 12.147 37.814 1.00 73.82 ? 682 GLU A CG 1 ATOM 2575 C CD . GLU A 1 341 ? 8.690 13.037 37.173 1.00 75.43 ? 682 GLU A CD 1 ATOM 2576 O OE1 . GLU A 1 341 ? 8.330 13.809 36.254 1.00 75.93 ? 682 GLU A OE1 1 ATOM 2577 O OE2 . GLU A 1 341 ? 9.865 12.957 37.593 1.00 77.03 ? 682 GLU A OE2 1 ATOM 2578 N N . ALA A 1 342 ? 9.038 8.857 35.958 1.00 68.37 ? 683 ALA A N 1 ATOM 2579 C CA . ALA A 1 342 ? 9.615 7.578 36.416 1.00 65.93 ? 683 ALA A CA 1 ATOM 2580 C C . ALA A 1 342 ? 11.153 7.368 36.396 1.00 64.08 ? 683 ALA A C 1 ATOM 2581 O O . ALA A 1 342 ? 11.886 7.900 37.236 1.00 64.22 ? 683 ALA A O 1 ATOM 2582 C CB . ALA A 1 342 ? 8.905 6.405 35.685 1.00 66.24 ? 683 ALA A CB 1 ATOM 2583 N N . CYS A 1 343 ? 11.608 6.595 35.412 1.00 60.33 ? 684 CYS A N 1 ATOM 2584 C CA . CYS A 1 343 ? 12.844 5.764 35.454 1.00 59.80 ? 684 CYS A CA 1 ATOM 2585 C C . CYS A 1 343 ? 12.530 4.350 35.979 1.00 60.31 ? 684 CYS A C 1 ATOM 2586 O O . CYS A 1 343 ? 12.307 4.141 37.185 1.00 60.70 ? 684 CYS A O 1 ATOM 2587 C CB . CYS A 1 343 ? 14.076 6.388 36.159 1.00 57.74 ? 684 CYS A CB 1 ATOM 2588 S SG . CYS A 1 343 ? 15.655 5.486 35.780 1.00 53.29 ? 684 CYS A SG 1 ATOM 2589 N N . ALA A 1 344 ? 12.504 3.413 35.026 1.00 60.85 ? 685 ALA A N 1 ATOM 2590 C CA . ALA A 1 344 ? 12.246 1.988 35.220 1.00 61.17 ? 685 ALA A CA 1 ATOM 2591 C C . ALA A 1 344 ? 13.198 1.325 36.207 1.00 61.61 ? 685 ALA A C 1 ATOM 2592 O O . ALA A 1 344 ? 12.848 0.327 36.844 1.00 61.89 ? 685 ALA A O 1 ATOM 2593 C CB . ALA A 1 344 ? 12.307 1.267 33.868 1.00 61.29 ? 685 ALA A CB 1 ATOM 2594 N N . PHE A 1 345 ? 14.403 1.874 36.328 1.00 61.82 ? 686 PHE A N 1 ATOM 2595 C CA . PHE A 1 345 ? 15.377 1.378 37.296 1.00 62.01 ? 686 PHE A CA 1 ATOM 2596 C C . PHE A 1 345 ? 15.505 2.434 38.401 1.00 62.45 ? 686 PHE A C 1 ATOM 2597 O O . PHE A 1 345 ? 14.495 2.839 38.995 1.00 62.59 ? 686 PHE A O 1 ATOM 2598 C CB . PHE A 1 345 ? 16.719 1.062 36.607 1.00 61.65 ? 686 PHE A CB 1 ATOM 2599 C CG . PHE A 1 345 ? 16.586 0.789 35.123 1.00 60.76 ? 686 PHE A CG 1 ATOM 2600 C CD1 . PHE A 1 345 ? 16.780 1.811 34.194 1.00 58.36 ? 686 PHE A CD1 1 ATOM 2601 C CD2 . PHE A 1 345 ? 16.225 -0.474 34.658 1.00 59.35 ? 686 PHE A CD2 1 ATOM 2602 C CE1 . PHE A 1 345 ? 16.641 1.579 32.833 1.00 57.80 ? 686 PHE A CE1 1 ATOM 2603 C CE2 . PHE A 1 345 ? 16.085 -0.707 33.289 1.00 59.60 ? 686 PHE A CE2 1 ATOM 2604 C CZ . PHE A 1 345 ? 16.300 0.325 32.379 1.00 57.71 ? 686 PHE A CZ 1 ATOM 2605 O OXT . PHE A 1 345 ? 16.588 2.931 38.716 1.00 62.93 ? 686 PHE A OXT 1 HETATM 2606 C C1 . NAG B 2 . ? 43.411 9.963 20.678 1.00 53.04 ? 1001 NAG A C1 1 HETATM 2607 C C2 . NAG B 2 . ? 43.604 10.334 19.213 1.00 56.42 ? 1001 NAG A C2 1 HETATM 2608 C C3 . NAG B 2 . ? 44.605 11.483 19.046 1.00 58.74 ? 1001 NAG A C3 1 HETATM 2609 C C4 . NAG B 2 . ? 44.441 12.594 20.082 1.00 59.36 ? 1001 NAG A C4 1 HETATM 2610 C C5 . NAG B 2 . ? 44.007 12.088 21.449 1.00 59.68 ? 1001 NAG A C5 1 HETATM 2611 C C6 . NAG B 2 . ? 43.462 13.260 22.262 1.00 60.20 ? 1001 NAG A C6 1 HETATM 2612 C C7 . NAG B 2 . ? 43.243 8.462 17.711 1.00 55.92 ? 1001 NAG A C7 1 HETATM 2613 C C8 . NAG B 2 . ? 43.903 7.422 16.862 1.00 54.91 ? 1001 NAG A C8 1 HETATM 2614 N N2 . NAG B 2 . ? 44.066 9.173 18.484 1.00 55.73 ? 1001 NAG A N2 1 HETATM 2615 O O3 . NAG B 2 . ? 44.465 12.050 17.757 1.00 60.94 ? 1001 NAG A O3 1 HETATM 2616 O O4 . NAG B 2 . ? 45.660 13.280 20.250 1.00 60.92 ? 1001 NAG A O4 1 HETATM 2617 O O5 . NAG B 2 . ? 42.985 11.128 21.302 1.00 56.66 ? 1001 NAG A O5 1 HETATM 2618 O O6 . NAG B 2 . ? 42.790 14.129 21.369 1.00 61.87 ? 1001 NAG A O6 1 HETATM 2619 O O7 . NAG B 2 . ? 42.015 8.615 17.689 1.00 53.96 ? 1001 NAG A O7 1 HETATM 2620 C C1 . NAG C 2 . ? -3.671 6.466 20.658 1.00 52.09 ? 2 NAG A C1 1 HETATM 2621 C C2 . NAG C 2 . ? -2.671 7.362 19.885 1.00 51.90 ? 2 NAG A C2 1 HETATM 2622 C C3 . NAG C 2 . ? -2.258 8.645 20.650 1.00 54.47 ? 2 NAG A C3 1 HETATM 2623 C C4 . NAG C 2 . ? -3.448 9.455 21.164 1.00 57.42 ? 2 NAG A C4 1 HETATM 2624 C C5 . NAG C 2 . ? -4.292 8.444 21.923 1.00 56.66 ? 2 NAG A C5 1 HETATM 2625 C C6 . NAG C 2 . ? -5.529 9.106 22.521 1.00 58.10 ? 2 NAG A C6 1 HETATM 2626 C C7 . NAG C 2 . ? -0.967 6.638 18.302 1.00 45.74 ? 2 NAG A C7 1 HETATM 2627 C C8 . NAG C 2 . ? 0.225 5.764 18.038 1.00 44.68 ? 2 NAG A C8 1 HETATM 2628 N N2 . NAG C 2 . ? -1.474 6.626 19.532 1.00 47.29 ? 2 NAG A N2 1 HETATM 2629 O O3 . NAG C 2 . ? -1.438 9.490 19.877 1.00 52.64 ? 2 NAG A O3 1 HETATM 2630 O O4 . NAG C 2 . ? -3.032 10.524 22.024 1.00 62.69 ? 2 NAG A O4 1 HETATM 2631 O O5 . NAG C 2 . ? -4.677 7.396 21.043 1.00 54.98 ? 2 NAG A O5 1 HETATM 2632 O O6 . NAG C 2 . ? -6.073 9.972 21.548 1.00 58.20 ? 2 NAG A O6 1 HETATM 2633 O O7 . NAG C 2 . ? -1.444 7.308 17.396 1.00 43.53 ? 2 NAG A O7 1 HETATM 2634 C C1 . NAG D 2 . ? -3.367 11.868 21.556 1.00 67.21 ? 3 NAG A C1 1 HETATM 2635 C C2 . NAG D 2 . ? -3.340 12.862 22.728 1.00 69.22 ? 3 NAG A C2 1 HETATM 2636 C C3 . NAG D 2 . ? -3.576 14.321 22.306 1.00 71.37 ? 3 NAG A C3 1 HETATM 2637 C C4 . NAG D 2 . ? -2.824 14.764 21.056 1.00 73.50 ? 3 NAG A C4 1 HETATM 2638 C C5 . NAG D 2 . ? -2.903 13.639 20.006 1.00 71.84 ? 3 NAG A C5 1 HETATM 2639 C C6 . NAG D 2 . ? -1.999 13.924 18.811 1.00 71.66 ? 3 NAG A C6 1 HETATM 2640 C C7 . NAG D 2 . ? -4.017 12.066 24.935 1.00 70.31 ? 3 NAG A C7 1 HETATM 2641 C C8 . NAG D 2 . ? -5.020 11.215 25.662 1.00 71.13 ? 3 NAG A C8 1 HETATM 2642 N N2 . NAG D 2 . ? -4.338 12.486 23.710 1.00 68.77 ? 3 NAG A N2 1 HETATM 2643 O O3 . NAG D 2 . ? -3.203 15.189 23.351 1.00 71.92 ? 3 NAG A O3 1 HETATM 2644 O O4 . NAG D 2 . ? -3.410 16.001 20.631 1.00 78.94 ? 3 NAG A O4 1 HETATM 2645 O O5 . NAG D 2 . ? -2.536 12.362 20.525 1.00 68.64 ? 3 NAG A O5 1 HETATM 2646 O O6 . NAG D 2 . ? -0.648 13.914 19.229 1.00 71.29 ? 3 NAG A O6 1 HETATM 2647 O O7 . NAG D 2 . ? -2.958 12.342 25.490 1.00 70.37 ? 3 NAG A O7 1 HETATM 2648 C C1 . BMA E 3 . ? -2.505 17.078 20.222 1.00 83.02 ? 4 BMA A C1 1 HETATM 2649 C C2 . BMA E 3 . ? -2.879 17.569 18.815 1.00 84.70 ? 4 BMA A C2 1 HETATM 2650 C C3 . BMA E 3 . ? -1.968 18.707 18.314 1.00 85.77 ? 4 BMA A C3 1 HETATM 2651 C C4 . BMA E 3 . ? -1.891 19.830 19.341 1.00 85.73 ? 4 BMA A C4 1 HETATM 2652 C C5 . BMA E 3 . ? -1.593 19.245 20.723 1.00 85.67 ? 4 BMA A C5 1 HETATM 2653 C C6 . BMA E 3 . ? -1.637 20.352 21.768 1.00 86.49 ? 4 BMA A C6 1 HETATM 2654 O O2 . BMA E 3 . ? -4.229 17.990 18.832 1.00 85.09 ? 4 BMA A O2 1 HETATM 2655 O O3 . BMA E 3 . ? -2.378 19.246 17.065 1.00 86.09 ? 4 BMA A O3 1 HETATM 2656 O O4 . BMA E 3 . ? -0.894 20.756 18.947 1.00 84.44 ? 4 BMA A O4 1 HETATM 2657 O O5 . BMA E 3 . ? -2.509 18.211 21.081 1.00 84.85 ? 4 BMA A O5 1 HETATM 2658 O O6 . BMA E 3 . ? -2.941 20.894 21.811 1.00 87.36 ? 4 BMA A O6 1 HETATM 2659 C C1 . NAG F 2 . ? 13.340 4.633 1.350 1.00 33.44 ? 5 NAG A C1 1 HETATM 2660 C C2 . NAG F 2 . ? 13.410 6.086 0.767 1.00 37.63 ? 5 NAG A C2 1 HETATM 2661 C C3 . NAG F 2 . ? 14.313 6.150 -0.467 1.00 42.14 ? 5 NAG A C3 1 HETATM 2662 C C4 . NAG F 2 . ? 15.680 5.514 -0.201 1.00 43.81 ? 5 NAG A C4 1 HETATM 2663 C C5 . NAG F 2 . ? 15.521 4.108 0.444 1.00 40.23 ? 5 NAG A C5 1 HETATM 2664 C C6 . NAG F 2 . ? 16.837 3.529 0.964 1.00 38.62 ? 5 NAG A C6 1 HETATM 2665 C C7 . NAG F 2 . ? 11.491 7.452 1.115 1.00 38.13 ? 5 NAG A C7 1 HETATM 2666 C C8 . NAG F 2 . ? 10.108 7.871 0.712 1.00 38.34 ? 5 NAG A C8 1 HETATM 2667 N N2 . NAG F 2 . ? 12.097 6.550 0.370 1.00 38.63 ? 5 NAG A N2 1 HETATM 2668 O O3 . NAG F 2 . ? 14.405 7.513 -0.850 1.00 42.80 ? 5 NAG A O3 1 HETATM 2669 O O4 . NAG F 2 . ? 16.387 5.411 -1.423 1.00 52.55 ? 5 NAG A O4 1 HETATM 2670 O O5 . NAG F 2 . ? 14.665 4.182 1.568 1.00 32.68 ? 5 NAG A O5 1 HETATM 2671 O O6 . NAG F 2 . ? 17.410 4.496 1.828 1.00 39.86 ? 5 NAG A O6 1 HETATM 2672 O O7 . NAG F 2 . ? 12.048 7.917 2.100 1.00 41.75 ? 5 NAG A O7 1 HETATM 2673 C C1 . NAG G 2 . ? 17.637 6.144 -1.456 1.00 62.06 ? 6 NAG A C1 1 HETATM 2674 C C2 . NAG G 2 . ? 18.659 5.444 -2.355 1.00 65.95 ? 6 NAG A C2 1 HETATM 2675 C C3 . NAG G 2 . ? 19.925 6.252 -2.685 1.00 70.16 ? 6 NAG A C3 1 HETATM 2676 C C4 . NAG G 2 . ? 19.578 7.668 -3.133 1.00 73.84 ? 6 NAG A C4 1 HETATM 2677 C C5 . NAG G 2 . ? 18.615 8.197 -2.074 1.00 71.38 ? 6 NAG A C5 1 HETATM 2678 C C6 . NAG G 2 . ? 18.221 9.639 -2.340 1.00 71.68 ? 6 NAG A C6 1 HETATM 2679 C C7 . NAG G 2 . ? 18.817 3.064 -2.475 1.00 66.21 ? 6 NAG A C7 1 HETATM 2680 C C8 . NAG G 2 . ? 19.545 1.825 -2.038 1.00 66.76 ? 6 NAG A C8 1 HETATM 2681 N N2 . NAG G 2 . ? 19.060 4.176 -1.788 1.00 65.68 ? 6 NAG A N2 1 HETATM 2682 O O3 . NAG G 2 . ? 20.639 5.584 -3.703 1.00 68.85 ? 6 NAG A O3 1 HETATM 2683 O O4 . NAG G 2 . ? 20.687 8.560 -3.146 1.00 82.51 ? 6 NAG A O4 1 HETATM 2684 O O5 . NAG G 2 . ? 17.435 7.422 -1.993 1.00 67.07 ? 6 NAG A O5 1 HETATM 2685 O O6 . NAG G 2 . ? 17.581 10.137 -1.189 1.00 72.04 ? 6 NAG A O6 1 HETATM 2686 O O7 . NAG G 2 . ? 18.035 3.032 -3.427 1.00 65.52 ? 6 NAG A O7 1 HETATM 2687 C C1 . MAN H 4 . ? 21.762 8.403 -4.129 1.00 89.98 ? 7 MAN A C1 1 HETATM 2688 C C2 . MAN H 4 . ? 21.327 8.586 -5.596 1.00 93.39 ? 7 MAN A C2 1 HETATM 2689 C C3 . MAN H 4 . ? 21.552 7.332 -6.467 1.00 95.87 ? 7 MAN A C3 1 HETATM 2690 C C4 . MAN H 4 . ? 22.879 6.580 -6.232 1.00 97.46 ? 7 MAN A C4 1 HETATM 2691 C C5 . MAN H 4 . ? 23.544 6.883 -4.879 1.00 96.20 ? 7 MAN A C5 1 HETATM 2692 C C6 . MAN H 4 . ? 24.807 7.758 -5.014 1.00 96.96 ? 7 MAN A C6 1 HETATM 2693 O O2 . MAN H 4 . ? 21.968 9.726 -6.158 1.00 93.63 ? 7 MAN A O2 1 HETATM 2694 O O3 . MAN H 4 . ? 21.456 7.675 -7.842 1.00 96.19 ? 7 MAN A O3 1 HETATM 2695 O O4 . MAN H 4 . ? 22.681 5.175 -6.438 1.00 100.39 ? 7 MAN A O4 1 HETATM 2696 O O5 . MAN H 4 . ? 22.613 7.294 -3.878 1.00 93.44 ? 7 MAN A O5 1 HETATM 2697 O O6 . MAN H 4 . ? 24.581 9.148 -4.855 1.00 97.09 ? 7 MAN A O6 1 HETATM 2698 C C1 . BMA I 3 . ? 23.504 4.297 -5.624 1.00 102.58 ? 8 BMA A C1 1 HETATM 2699 C C2 . BMA I 3 . ? 22.676 3.121 -5.117 1.00 103.46 ? 8 BMA A C2 1 HETATM 2700 C C3 . BMA I 3 . ? 23.435 2.407 -4.011 1.00 103.88 ? 8 BMA A C3 1 HETATM 2701 C C4 . BMA I 3 . ? 24.899 2.144 -4.371 1.00 104.37 ? 8 BMA A C4 1 HETATM 2702 C C5 . BMA I 3 . ? 25.494 2.922 -5.566 1.00 104.52 ? 8 BMA A C5 1 HETATM 2703 C C6 . BMA I 3 . ? 26.153 1.950 -6.549 1.00 105.18 ? 8 BMA A C6 1 HETATM 2704 O O2 . BMA I 3 . ? 22.423 2.197 -6.158 1.00 103.92 ? 8 BMA A O2 1 HETATM 2705 O O3 . BMA I 3 . ? 22.814 1.172 -3.737 1.00 103.20 ? 8 BMA A O3 1 HETATM 2706 O O4 . BMA I 3 . ? 25.673 2.390 -3.212 1.00 104.06 ? 8 BMA A O4 1 HETATM 2707 O O5 . BMA I 3 . ? 24.597 3.736 -6.318 1.00 103.66 ? 8 BMA A O5 1 HETATM 2708 O O6 . BMA I 3 . ? 27.437 1.567 -6.101 1.00 105.52 ? 8 BMA A O6 1 HETATM 2709 FE FE . FE J 5 . ? 14.515 2.581 15.073 1.00 23.59 ? 1687 FE A FE 1 HETATM 2710 C C . CO3 K 6 . ? 13.270 0.568 15.366 1.00 23.11 ? 1999 CO3 A C 1 HETATM 2711 O O1 . CO3 K 6 . ? 14.556 0.529 15.651 1.00 24.04 ? 1999 CO3 A O1 1 HETATM 2712 O O2 . CO3 K 6 . ? 12.794 1.678 14.987 1.00 23.41 ? 1999 CO3 A O2 1 HETATM 2713 O O3 . CO3 K 6 . ? 12.461 -0.441 15.420 1.00 20.79 ? 1999 CO3 A O3 1 HETATM 2714 S S . SO4 L 7 . ? -1.381 -6.014 -4.851 1.00 66.51 ? 2000 SO4 A S 1 HETATM 2715 O O1 . SO4 L 7 . ? -1.338 -5.849 -6.295 1.00 67.74 ? 2000 SO4 A O1 1 HETATM 2716 O O2 . SO4 L 7 . ? -0.764 -4.848 -4.244 1.00 66.82 ? 2000 SO4 A O2 1 HETATM 2717 O O3 . SO4 L 7 . ? -2.761 -6.101 -4.401 1.00 67.36 ? 2000 SO4 A O3 1 HETATM 2718 O O4 . SO4 L 7 . ? -0.674 -7.231 -4.479 1.00 67.12 ? 2000 SO4 A O4 1 HETATM 2719 ZN ZN . ZN M 8 . ? 14.702 23.379 24.265 1.00 30.92 ? 1101 ZN A ZN 1 HETATM 2720 ZN ZN . ZN N 8 . ? 3.184 10.867 7.286 1.00 36.23 ? 1102 ZN A ZN 1 HETATM 2721 C C1 . TRE O 9 . ? 11.285 17.111 16.239 1.00 61.51 ? 1151 TRE A C1 1 HETATM 2722 C C2 . TRE O 9 . ? 11.693 18.367 16.109 1.00 61.64 ? 1151 TRE A C2 1 HETATM 2723 C C3 . TRE O 9 . ? 10.945 19.335 16.629 1.00 61.68 ? 1151 TRE A C3 1 HETATM 2724 C C4 . TRE O 9 . ? 9.665 19.093 16.921 1.00 61.64 ? 1151 TRE A C4 1 HETATM 2725 C C5 . TRE O 9 . ? 9.064 17.998 16.465 1.00 61.50 ? 1151 TRE A C5 1 HETATM 2726 C C6 . TRE O 9 . ? 7.555 17.971 16.371 1.00 61.31 ? 1151 TRE A C6 1 HETATM 2727 O O1 . TRE O 9 . ? 12.257 16.040 16.435 1.00 61.43 ? 1151 TRE A O1 1 HETATM 2728 O O2 . TRE O 9 . ? 12.798 18.608 15.651 1.00 61.66 ? 1151 TRE A O2 1 HETATM 2729 O O3 . TRE O 9 . ? 11.375 20.476 16.663 1.00 61.65 ? 1151 TRE A O3 1 HETATM 2730 O O4 . TRE O 9 . ? 9.112 19.741 17.795 1.00 61.82 ? 1151 TRE A O4 1 HETATM 2731 O O5 . TRE O 9 . ? 9.861 16.834 16.102 1.00 61.57 ? 1151 TRE A O5 1 HETATM 2732 O O6 . TRE O 9 . ? 7.122 16.791 15.714 1.00 61.23 ? 1151 TRE A O6 1 HETATM 2733 C C1P . TRE O 9 . ? 12.220 14.898 15.520 1.00 61.25 ? 1151 TRE A C1P 1 HETATM 2734 C C2P . TRE O 9 . ? 13.158 13.964 15.337 1.00 61.18 ? 1151 TRE A C2P 1 HETATM 2735 C C3P . TRE O 9 . ? 13.333 13.513 14.091 1.00 61.21 ? 1151 TRE A C3P 1 HETATM 2736 C C4P . TRE O 9 . ? 12.258 13.325 13.320 1.00 61.13 ? 1151 TRE A C4P 1 HETATM 2737 C C5P . TRE O 9 . ? 11.106 13.889 13.668 1.00 60.98 ? 1151 TRE A C5P 1 HETATM 2738 C C6P . TRE O 9 . ? 9.789 13.420 13.098 1.00 60.70 ? 1151 TRE A C6P 1 HETATM 2739 O O2P . TRE O 9 . ? 13.923 13.632 16.232 1.00 60.92 ? 1151 TRE A O2P 1 HETATM 2740 O O3P . TRE O 9 . ? 14.439 13.162 13.706 1.00 61.16 ? 1151 TRE A O3P 1 HETATM 2741 O O4P . TRE O 9 . ? 12.382 12.894 12.189 1.00 61.18 ? 1151 TRE A O4P 1 HETATM 2742 O O5P . TRE O 9 . ? 11.118 15.003 14.587 1.00 61.10 ? 1151 TRE A O5P 1 HETATM 2743 O O6P . TRE O 9 . ? 9.108 12.618 14.053 1.00 60.41 ? 1151 TRE A O6P 1 HETATM 2744 O O . HOH P 10 . ? 25.962 1.983 19.905 1.00 19.43 ? 2001 HOH A O 1 HETATM 2745 O O . HOH P 10 . ? 13.435 5.942 16.525 1.00 19.89 ? 2002 HOH A O 1 HETATM 2746 O O . HOH P 10 . ? 11.389 -10.356 14.275 1.00 19.39 ? 2003 HOH A O 1 HETATM 2747 O O . HOH P 10 . ? 27.640 9.138 30.183 1.00 23.07 ? 2004 HOH A O 1 HETATM 2748 O O . HOH P 10 . ? 6.457 0.125 11.632 1.00 26.39 ? 2005 HOH A O 1 HETATM 2749 O O . HOH P 10 . ? 22.833 -6.475 19.405 1.00 23.75 ? 2006 HOH A O 1 HETATM 2750 O O . HOH P 10 . ? 3.373 -11.824 3.895 1.00 23.70 ? 2007 HOH A O 1 HETATM 2751 O O . HOH P 10 . ? 16.970 3.605 12.152 1.00 20.37 ? 2008 HOH A O 1 HETATM 2752 O O . HOH P 10 . ? 3.339 1.016 5.721 1.00 24.81 ? 2009 HOH A O 1 HETATM 2753 O O . HOH P 10 . ? 25.409 -0.444 21.285 1.00 23.24 ? 2010 HOH A O 1 HETATM 2754 O O . HOH P 10 . ? 19.208 0.658 9.048 1.00 29.18 ? 2011 HOH A O 1 HETATM 2755 O O . HOH P 10 . ? 12.957 5.914 5.767 1.00 26.94 ? 2012 HOH A O 1 HETATM 2756 O O . HOH P 10 . ? -3.513 -1.717 4.356 1.00 32.83 ? 2013 HOH A O 1 HETATM 2757 O O . HOH P 10 . ? 25.792 -8.081 19.187 1.00 28.26 ? 2014 HOH A O 1 HETATM 2758 O O . HOH P 10 . ? 22.856 0.302 20.826 1.00 22.72 ? 2015 HOH A O 1 HETATM 2759 O O . HOH P 10 . ? 18.451 6.353 12.493 1.00 21.26 ? 2016 HOH A O 1 HETATM 2760 O O . HOH P 10 . ? 19.381 -4.539 12.030 1.00 26.18 ? 2017 HOH A O 1 HETATM 2761 O O . HOH P 10 . ? 19.565 -0.339 14.187 1.00 25.15 ? 2018 HOH A O 1 HETATM 2762 O O . HOH P 10 . ? 18.161 -4.661 23.549 1.00 27.52 ? 2019 HOH A O 1 HETATM 2763 O O . HOH P 10 . ? 18.700 -2.956 14.173 1.00 34.02 ? 2020 HOH A O 1 HETATM 2764 O O . HOH P 10 . ? 27.469 0.181 11.212 1.00 30.82 ? 2021 HOH A O 1 HETATM 2765 O O . HOH P 10 . ? 17.663 -1.415 7.924 1.00 25.14 ? 2022 HOH A O 1 HETATM 2766 O O . HOH P 10 . ? -0.435 4.729 5.918 1.00 34.02 ? 2023 HOH A O 1 HETATM 2767 O O . HOH P 10 . ? 5.551 -12.152 -2.889 1.00 32.41 ? 2024 HOH A O 1 HETATM 2768 O O . HOH P 10 . ? 1.755 -12.634 19.227 1.00 29.93 ? 2025 HOH A O 1 HETATM 2769 O O . HOH P 10 . ? 5.241 -14.169 4.462 1.00 30.62 ? 2026 HOH A O 1 HETATM 2770 O O . HOH P 10 . ? 19.676 -12.779 10.835 1.00 27.12 ? 2027 HOH A O 1 HETATM 2771 O O . HOH P 10 . ? 28.440 7.690 32.331 1.00 28.90 ? 2028 HOH A O 1 HETATM 2772 O O . HOH P 10 . ? 18.794 0.822 19.629 1.00 31.05 ? 2029 HOH A O 1 HETATM 2773 O O . HOH P 10 . ? 21.080 -8.660 4.588 1.00 39.26 ? 2030 HOH A O 1 HETATM 2774 O O . HOH P 10 . ? 24.861 -9.971 30.778 1.00 39.36 ? 2031 HOH A O 1 HETATM 2775 O O . HOH P 10 . ? 20.381 -1.037 20.995 1.00 26.80 ? 2032 HOH A O 1 HETATM 2776 O O . HOH P 10 . ? 32.332 4.544 8.209 1.00 36.40 ? 2033 HOH A O 1 HETATM 2777 O O . HOH P 10 . ? 10.882 -19.743 20.151 1.00 46.18 ? 2034 HOH A O 1 HETATM 2778 O O . HOH P 10 . ? 7.266 7.415 -1.645 1.00 35.52 ? 2035 HOH A O 1 HETATM 2779 O O . HOH P 10 . ? 9.976 2.620 24.535 1.00 31.46 ? 2036 HOH A O 1 HETATM 2780 O O . HOH P 10 . ? 13.960 -4.401 23.631 1.00 31.72 ? 2037 HOH A O 1 HETATM 2781 O O . HOH P 10 . ? 17.285 5.030 7.909 1.00 30.98 ? 2038 HOH A O 1 HETATM 2782 O O . HOH P 10 . ? 23.809 -7.597 30.691 1.00 28.99 ? 2039 HOH A O 1 HETATM 2783 O O . HOH P 10 . ? -5.307 -5.016 21.515 1.00 65.61 ? 2040 HOH A O 1 HETATM 2784 O O . HOH P 10 . ? 22.057 12.742 33.238 1.00 31.20 ? 2041 HOH A O 1 HETATM 2785 O O . HOH P 10 . ? -3.463 -13.853 2.050 1.00 35.41 ? 2042 HOH A O 1 HETATM 2786 O O . HOH P 10 . ? 16.923 15.510 28.363 1.00 36.52 ? 2043 HOH A O 1 HETATM 2787 O O . HOH P 10 . ? 16.483 -4.002 26.443 1.00 31.85 ? 2044 HOH A O 1 HETATM 2788 O O . HOH P 10 . ? 23.904 -3.522 33.513 1.00 30.50 ? 2045 HOH A O 1 HETATM 2789 O O . HOH P 10 . ? 31.009 10.362 8.545 1.00 37.74 ? 2046 HOH A O 1 HETATM 2790 O O . HOH P 10 . ? 20.698 6.385 9.518 1.00 30.27 ? 2047 HOH A O 1 HETATM 2791 O O . HOH P 10 . ? 31.246 -7.964 14.591 1.00 38.67 ? 2048 HOH A O 1 HETATM 2792 O O . HOH P 10 . ? 21.729 -10.251 7.053 1.00 50.62 ? 2049 HOH A O 1 HETATM 2793 O O . HOH P 10 . ? -0.157 -10.092 19.618 1.00 32.50 ? 2050 HOH A O 1 HETATM 2794 O O . HOH P 10 . ? 10.768 -19.551 13.911 1.00 40.97 ? 2051 HOH A O 1 HETATM 2795 O O . HOH P 10 . ? 19.225 -7.125 33.640 1.00 35.99 ? 2052 HOH A O 1 HETATM 2796 O O . HOH P 10 . ? 12.174 16.582 28.647 1.00 73.27 ? 2053 HOH A O 1 HETATM 2797 O O . HOH P 10 . ? 22.542 -4.296 17.552 1.00 32.42 ? 2054 HOH A O 1 HETATM 2798 O O . HOH P 10 . ? -0.736 -15.350 -4.352 1.00 32.01 ? 2055 HOH A O 1 HETATM 2799 O O . HOH P 10 . ? 17.427 -14.731 -1.425 1.00 42.63 ? 2056 HOH A O 1 HETATM 2800 O O . HOH P 10 . ? 38.029 13.167 7.840 1.00 49.51 ? 2057 HOH A O 1 HETATM 2801 O O . HOH P 10 . ? 13.336 0.476 27.340 1.00 44.42 ? 2058 HOH A O 1 HETATM 2802 O O . HOH P 10 . ? 30.020 1.980 39.764 1.00 42.63 ? 2059 HOH A O 1 HETATM 2803 O O . HOH P 10 . ? 21.636 -4.348 15.030 1.00 34.09 ? 2060 HOH A O 1 HETATM 2804 O O . HOH P 10 . ? 1.167 7.371 5.134 1.00 30.63 ? 2061 HOH A O 1 HETATM 2805 O O . HOH P 10 . ? 19.592 -8.311 -2.162 1.00 47.22 ? 2062 HOH A O 1 HETATM 2806 O O . HOH P 10 . ? 13.515 -19.835 11.616 1.00 45.90 ? 2063 HOH A O 1 HETATM 2807 O O . HOH P 10 . ? 32.801 5.178 32.339 1.00 53.59 ? 2064 HOH A O 1 HETATM 2808 O O . HOH P 10 . ? 23.008 7.792 4.039 1.00 69.27 ? 2065 HOH A O 1 HETATM 2809 O O . HOH P 10 . ? 32.559 14.501 33.427 1.00 44.46 ? 2066 HOH A O 1 HETATM 2810 O O . HOH P 10 . ? 22.416 -0.062 15.518 1.00 28.65 ? 2067 HOH A O 1 HETATM 2811 O O . HOH P 10 . ? 23.017 -0.793 18.153 1.00 29.72 ? 2068 HOH A O 1 HETATM 2812 O O . HOH P 10 . ? 4.574 10.684 12.193 1.00 49.85 ? 2069 HOH A O 1 HETATM 2813 O O . HOH P 10 . ? 21.850 -14.871 27.596 1.00 41.61 ? 2070 HOH A O 1 HETATM 2814 O O . HOH P 10 . ? 9.692 4.366 -0.818 1.00 43.23 ? 2071 HOH A O 1 HETATM 2815 O O . HOH P 10 . ? 18.578 12.226 8.469 1.00 43.29 ? 2072 HOH A O 1 HETATM 2816 O O . HOH P 10 . ? 21.995 24.155 16.122 1.00 78.22 ? 2073 HOH A O 1 HETATM 2817 O O . HOH P 10 . ? 23.618 -10.410 13.140 1.00 49.95 ? 2074 HOH A O 1 HETATM 2818 O O . HOH P 10 . ? 19.265 15.153 6.887 1.00 48.73 ? 2075 HOH A O 1 HETATM 2819 O O . HOH P 10 . ? 17.038 -6.408 30.422 1.00 43.92 ? 2076 HOH A O 1 HETATM 2820 O O . HOH P 10 . ? 23.045 20.999 26.184 1.00 61.44 ? 2077 HOH A O 1 HETATM 2821 O O . HOH P 10 . ? 4.850 -1.724 25.271 1.00 38.24 ? 2078 HOH A O 1 HETATM 2822 O O . HOH P 10 . ? -0.829 -16.662 9.152 1.00 33.68 ? 2079 HOH A O 1 HETATM 2823 O O . HOH P 10 . ? 27.883 -5.996 31.642 1.00 32.69 ? 2080 HOH A O 1 HETATM 2824 O O . HOH P 10 . ? 5.820 -10.896 27.178 1.00 40.11 ? 2081 HOH A O 1 HETATM 2825 O O . HOH P 10 . ? 7.297 -18.970 22.959 1.00 36.39 ? 2082 HOH A O 1 HETATM 2826 O O . HOH P 10 . ? 22.950 -12.549 25.480 1.00 39.07 ? 2083 HOH A O 1 HETATM 2827 O O . HOH P 10 . ? 16.907 13.574 30.372 1.00 31.23 ? 2084 HOH A O 1 HETATM 2828 O O . HOH P 10 . ? -4.675 -1.944 -2.538 1.00 45.33 ? 2085 HOH A O 1 HETATM 2829 O O . HOH P 10 . ? 37.777 -1.958 25.117 1.00 43.94 ? 2086 HOH A O 1 HETATM 2830 O O . HOH P 10 . ? 35.519 -1.347 8.930 1.00 59.64 ? 2087 HOH A O 1 HETATM 2831 O O . HOH P 10 . ? 34.735 12.094 27.629 1.00 58.83 ? 2088 HOH A O 1 HETATM 2832 O O . HOH P 10 . ? 17.739 10.162 26.182 1.00 45.60 ? 2089 HOH A O 1 HETATM 2833 O O . HOH P 10 . ? 21.066 0.498 7.603 1.00 32.54 ? 2090 HOH A O 1 HETATM 2834 O O . HOH P 10 . ? 37.458 -7.653 17.648 1.00 53.20 ? 2091 HOH A O 1 HETATM 2835 O O . HOH P 10 . ? 33.329 -1.959 10.617 1.00 43.09 ? 2092 HOH A O 1 HETATM 2836 O O . HOH P 10 . ? -0.292 5.125 21.678 1.00 37.68 ? 2093 HOH A O 1 HETATM 2837 O O . HOH P 10 . ? 31.142 4.719 5.816 1.00 44.67 ? 2094 HOH A O 1 HETATM 2838 O O . HOH P 10 . ? -7.976 -7.251 11.981 1.00 52.01 ? 2095 HOH A O 1 HETATM 2839 O O . HOH P 10 . ? 29.938 -6.956 10.283 1.00 52.96 ? 2096 HOH A O 1 HETATM 2840 O O . HOH P 10 . ? 20.588 17.887 13.168 1.00 47.23 ? 2097 HOH A O 1 HETATM 2841 O O . HOH P 10 . ? 16.894 -18.025 3.908 1.00 46.82 ? 2098 HOH A O 1 HETATM 2842 O O . HOH P 10 . ? 41.883 12.341 28.533 1.00 65.45 ? 2099 HOH A O 1 HETATM 2843 O O . HOH P 10 . ? 17.991 6.886 9.538 1.00 40.74 ? 2100 HOH A O 1 HETATM 2844 O O . HOH P 10 . ? 21.335 -20.017 12.399 1.00 60.68 ? 2101 HOH A O 1 HETATM 2845 O O . HOH P 10 . ? 36.286 13.604 30.640 1.00 57.61 ? 2102 HOH A O 1 HETATM 2846 O O . HOH P 10 . ? 4.094 12.626 35.904 1.00 73.84 ? 2103 HOH A O 1 HETATM 2847 O O . HOH P 10 . ? -5.893 -15.903 10.849 1.00 85.60 ? 2104 HOH A O 1 HETATM 2848 O O . HOH P 10 . ? 16.257 13.004 1.386 1.00 74.71 ? 2105 HOH A O 1 HETATM 2849 O O . HOH P 10 . ? 21.476 2.372 15.276 1.00 30.61 ? 2106 HOH A O 1 HETATM 2850 O O . HOH P 10 . ? 33.194 15.171 12.654 1.00 42.55 ? 2107 HOH A O 1 HETATM 2851 O O . HOH P 10 . ? 27.749 4.394 5.716 1.00 48.92 ? 2108 HOH A O 1 HETATM 2852 O O . HOH P 10 . ? 32.240 18.543 9.004 1.00 77.95 ? 2109 HOH A O 1 HETATM 2853 O O . HOH P 10 . ? 16.223 -21.353 12.635 1.00 53.57 ? 2110 HOH A O 1 HETATM 2854 O O . HOH P 10 . ? 31.882 -5.181 29.999 1.00 43.84 ? 2111 HOH A O 1 HETATM 2855 O O . HOH P 10 . ? 26.474 -10.415 3.961 1.00 69.06 ? 2112 HOH A O 1 HETATM 2856 O O . HOH P 10 . ? 43.324 5.216 26.639 1.00 74.96 ? 2113 HOH A O 1 HETATM 2857 O O . HOH P 10 . ? 25.317 -7.958 -6.005 1.00 82.82 ? 2114 HOH A O 1 HETATM 2858 O O . HOH P 10 . ? 39.732 15.146 28.787 1.00 76.21 ? 2115 HOH A O 1 HETATM 2859 O O . HOH P 10 . ? 45.111 9.579 9.981 1.00 63.99 ? 2116 HOH A O 1 HETATM 2860 O O . HOH P 10 . ? 4.508 8.245 -2.466 1.00 66.05 ? 2117 HOH A O 1 HETATM 2861 O O . HOH P 10 . ? 11.843 -11.611 -3.984 1.00 51.23 ? 2118 HOH A O 1 HETATM 2862 O O . HOH P 10 . ? 22.427 -3.602 2.281 1.00 61.53 ? 2119 HOH A O 1 HETATM 2863 O O . HOH P 10 . ? 24.779 18.263 19.417 1.00 34.50 ? 2120 HOH A O 1 HETATM 2864 O O . HOH P 10 . ? 31.106 -2.889 34.867 1.00 41.47 ? 2121 HOH A O 1 HETATM 2865 O O . HOH P 10 . ? 33.029 -10.673 12.093 1.00 54.66 ? 2122 HOH A O 1 HETATM 2866 O O . HOH P 10 . ? 6.920 0.393 24.764 1.00 42.10 ? 2123 HOH A O 1 HETATM 2867 O O . HOH P 10 . ? 16.476 -19.420 8.278 1.00 52.47 ? 2124 HOH A O 1 HETATM 2868 O O . HOH P 10 . ? 18.586 17.692 28.066 1.00 53.79 ? 2125 HOH A O 1 HETATM 2869 O O . HOH P 10 . ? 10.983 -20.713 16.106 1.00 53.12 ? 2126 HOH A O 1 HETATM 2870 O O . HOH P 10 . ? -4.125 -8.279 -3.053 1.00 43.44 ? 2127 HOH A O 1 HETATM 2871 O O . HOH P 10 . ? 45.487 15.367 18.449 1.00 63.47 ? 2128 HOH A O 1 HETATM 2872 O O . HOH P 10 . ? 6.998 -3.106 -4.258 1.00 36.61 ? 2129 HOH A O 1 HETATM 2873 O O . HOH P 10 . ? 37.904 -4.477 23.538 1.00 71.83 ? 2130 HOH A O 1 HETATM 2874 O O . HOH P 10 . ? 32.463 9.743 -1.105 1.00 71.40 ? 2131 HOH A O 1 HETATM 2875 O O . HOH P 10 . ? 19.269 20.165 -1.896 1.00 79.85 ? 2132 HOH A O 1 HETATM 2876 O O . HOH P 10 . ? -3.000 18.104 23.359 1.00 66.10 ? 2133 HOH A O 1 HETATM 2877 O O . HOH P 10 . ? 20.747 -11.502 13.986 1.00 42.98 ? 2134 HOH A O 1 HETATM 2878 O O . HOH P 10 . ? 39.123 10.778 19.789 1.00 54.65 ? 2135 HOH A O 1 HETATM 2879 O O . HOH P 10 . ? 23.427 8.586 -1.109 1.00 79.12 ? 2136 HOH A O 1 HETATM 2880 O O . HOH P 10 . ? 33.230 13.421 -0.471 1.00 78.80 ? 2137 HOH A O 1 HETATM 2881 O O . HOH P 10 . ? 29.085 24.065 21.857 1.00 70.32 ? 2138 HOH A O 1 HETATM 2882 O O . HOH P 10 . ? 14.224 14.612 0.737 1.00 89.41 ? 2139 HOH A O 1 HETATM 2883 O O . HOH P 10 . ? 26.880 0.685 4.262 1.00 58.66 ? 2140 HOH A O 1 HETATM 2884 O O . HOH P 10 . ? 47.120 0.688 12.919 1.00 57.95 ? 2141 HOH A O 1 HETATM 2885 O O . HOH P 10 . ? -3.235 17.244 26.132 1.00 69.83 ? 2142 HOH A O 1 HETATM 2886 O O . HOH P 10 . ? 11.058 -20.680 6.890 1.00 51.61 ? 2143 HOH A O 1 HETATM 2887 O O . HOH P 10 . ? 41.199 13.397 19.914 1.00 69.26 ? 2144 HOH A O 1 HETATM 2888 O O . HOH P 10 . ? 30.840 -12.200 16.139 1.00 63.23 ? 2145 HOH A O 1 HETATM 2889 O O . HOH P 10 . ? 29.857 -3.388 5.659 1.00 80.87 ? 2146 HOH A O 1 HETATM 2890 O O . HOH P 10 . ? 16.274 7.407 3.765 1.00 42.60 ? 2147 HOH A O 1 HETATM 2891 O O . HOH P 10 . ? 5.132 8.731 37.757 1.00 66.88 ? 2148 HOH A O 1 HETATM 2892 O O . HOH P 10 . ? 25.589 -8.036 2.491 1.00 60.51 ? 2149 HOH A O 1 HETATM 2893 O O . HOH P 10 . ? 33.767 -5.317 26.334 1.00 61.65 ? 2150 HOH A O 1 HETATM 2894 O O . HOH P 10 . ? 19.954 -8.862 13.412 1.00 48.38 ? 2151 HOH A O 1 HETATM 2895 O O . HOH P 10 . ? 24.301 -16.952 25.526 1.00 57.83 ? 2152 HOH A O 1 HETATM 2896 O O . HOH P 10 . ? -5.912 8.218 30.312 1.00 63.79 ? 2153 HOH A O 1 HETATM 2897 O O . HOH P 10 . ? 47.506 -0.151 16.159 1.00 71.13 ? 2154 HOH A O 1 HETATM 2898 O O . HOH P 10 . ? 13.017 -3.058 26.883 1.00 48.58 ? 2155 HOH A O 1 HETATM 2899 O O . HOH P 10 . ? 30.539 20.898 4.037 1.00 65.88 ? 2156 HOH A O 1 HETATM 2900 O O . HOH P 10 . ? 13.149 -20.507 8.397 1.00 59.58 ? 2157 HOH A O 1 HETATM 2901 O O . HOH P 10 . ? 15.663 10.054 37.155 1.00 67.35 ? 2158 HOH A O 1 HETATM 2902 O O . HOH P 10 . ? 27.690 18.858 34.529 1.00 37.86 ? 2159 HOH A O 1 HETATM 2903 O O . HOH P 10 . ? 30.982 19.728 23.229 1.00 54.33 ? 2160 HOH A O 1 HETATM 2904 O O . HOH P 10 . ? 26.016 -9.986 7.162 1.00 65.70 ? 2161 HOH A O 1 HETATM 2905 O O . HOH P 10 . ? 3.187 10.216 9.957 1.00 48.89 ? 2162 HOH A O 1 HETATM 2906 O O . HOH P 10 . ? 41.162 12.168 38.317 1.00 74.76 ? 2163 HOH A O 1 HETATM 2907 O O . HOH P 10 . ? 3.479 -17.626 7.222 1.00 70.83 ? 2164 HOH A O 1 HETATM 2908 O O . HOH P 10 . ? 36.013 -11.890 12.161 1.00 93.91 ? 2165 HOH A O 1 HETATM 2909 O O . HOH P 10 . ? -2.085 -13.223 27.366 1.00 60.40 ? 2166 HOH A O 1 HETATM 2910 O O . HOH P 10 . ? 11.128 -19.205 22.593 1.00 57.94 ? 2167 HOH A O 1 HETATM 2911 O O . HOH P 10 . ? -5.038 -4.802 -2.727 1.00 58.02 ? 2168 HOH A O 1 HETATM 2912 O O . HOH P 10 . ? 8.567 -21.776 20.107 1.00 55.17 ? 2169 HOH A O 1 HETATM 2913 O O . HOH P 10 . ? 20.264 -2.840 19.051 1.00 39.31 ? 2170 HOH A O 1 HETATM 2914 O O . HOH P 10 . ? 33.036 3.803 36.936 1.00 51.21 ? 2171 HOH A O 1 HETATM 2915 O O . HOH P 10 . ? 1.312 -16.418 25.089 1.00 50.82 ? 2172 HOH A O 1 HETATM 2916 O O . HOH P 10 . ? 17.863 23.624 0.404 1.00 71.15 ? 2173 HOH A O 1 HETATM 2917 O O . HOH P 10 . ? 26.077 -24.829 15.500 1.00 87.36 ? 2174 HOH A O 1 HETATM 2918 O O . HOH P 10 . ? 26.282 -21.395 18.693 1.00 69.51 ? 2175 HOH A O 1 HETATM 2919 O O . HOH P 10 . ? 24.362 23.068 15.684 1.00 59.33 ? 2176 HOH A O 1 HETATM 2920 O O . HOH P 10 . ? 20.054 -9.928 10.648 1.00 53.91 ? 2177 HOH A O 1 HETATM 2921 O O . HOH P 10 . ? 25.950 -13.898 16.608 1.00 65.87 ? 2178 HOH A O 1 HETATM 2922 O O . HOH P 10 . ? 33.157 -7.296 13.591 1.00 74.11 ? 2179 HOH A O 1 HETATM 2923 O O . HOH P 10 . ? 0.835 13.884 15.362 1.00 74.41 ? 2180 HOH A O 1 HETATM 2924 O O . HOH P 10 . ? 5.845 15.250 31.519 1.00 68.35 ? 2181 HOH A O 1 HETATM 2925 O O . HOH P 10 . ? 26.434 25.099 3.068 1.00 64.81 ? 2182 HOH A O 1 HETATM 2926 O O . HOH P 10 . ? 36.668 -0.051 29.497 1.00 72.27 ? 2183 HOH A O 1 HETATM 2927 O O . HOH P 10 . ? 23.553 4.244 -1.517 1.00 70.40 ? 2184 HOH A O 1 HETATM 2928 O O . HOH P 10 . ? 3.965 -15.445 29.188 1.00 64.34 ? 2185 HOH A O 1 HETATM 2929 O O . HOH P 10 . ? 26.179 0.247 -2.299 1.00 68.91 ? 2186 HOH A O 1 HETATM 2930 O O . HOH P 10 . ? 7.381 13.289 17.280 1.00 31.71 ? 2187 HOH A O 1 HETATM 2931 O O . HOH P 10 . ? 31.393 -5.546 12.245 1.00 44.45 ? 2188 HOH A O 1 HETATM 2932 O O . HOH P 10 . ? 19.790 -2.929 6.644 1.00 61.61 ? 2189 HOH A O 1 HETATM 2933 O O . HOH P 10 . ? 7.842 -2.273 -6.714 1.00 53.36 ? 2190 HOH A O 1 HETATM 2934 O O . HOH P 10 . ? 10.671 19.405 19.819 1.00 42.03 ? 2191 HOH A O 1 HETATM 2935 O O . HOH P 10 . ? 2.796 6.068 30.577 1.00 68.95 ? 2192 HOH A O 1 HETATM 2936 O O . HOH P 10 . ? 8.553 -21.166 15.791 1.00 54.64 ? 2193 HOH A O 1 HETATM 2937 O O . HOH P 10 . ? 15.331 23.751 22.577 1.00 31.75 ? 2194 HOH A O 1 HETATM 2938 O O . HOH P 10 . ? 17.840 19.604 30.118 1.00 41.09 ? 2195 HOH A O 1 HETATM 2939 O O . HOH P 10 . ? 18.492 -3.580 32.960 1.00 48.39 ? 2196 HOH A O 1 HETATM 2940 O O . HOH P 10 . ? 12.675 4.688 32.220 1.00 60.39 ? 2197 HOH A O 1 HETATM 2941 O O . HOH P 10 . ? 5.601 -19.498 10.698 1.00 44.42 ? 2198 HOH A O 1 HETATM 2942 O O . HOH P 10 . ? 21.058 -6.536 13.327 1.00 51.29 ? 2199 HOH A O 1 HETATM 2943 O O . HOH P 10 . ? 12.620 -0.687 30.609 1.00 49.03 ? 2200 HOH A O 1 HETATM 2944 O O . HOH P 10 . ? 20.950 2.025 17.576 1.00 37.16 ? 2201 HOH A O 1 HETATM 2945 O O . HOH P 10 . ? 9.808 0.690 1.475 1.00 40.90 ? 2202 HOH A O 1 HETATM 2946 O O . HOH P 10 . ? 3.257 4.528 20.744 1.00 48.64 ? 2203 HOH A O 1 HETATM 2947 O O . HOH P 10 . ? 23.999 -13.248 14.816 1.00 49.04 ? 2204 HOH A O 1 HETATM 2948 O O . HOH P 10 . ? -3.348 -3.744 12.226 1.00 66.73 ? 2205 HOH A O 1 HETATM 2949 O O . HOH P 10 . ? 17.926 -9.907 -5.123 1.00 63.48 ? 2206 HOH A O 1 HETATM 2950 O O . HOH P 10 . ? 28.282 17.860 29.579 1.00 43.37 ? 2207 HOH A O 1 HETATM 2951 O O . HOH P 10 . ? 18.387 12.395 5.693 1.00 55.52 ? 2208 HOH A O 1 HETATM 2952 O O . HOH P 10 . ? 8.598 -17.302 -1.225 1.00 59.72 ? 2209 HOH A O 1 HETATM 2953 O O . HOH P 10 . ? 28.734 -8.144 2.816 1.00 77.73 ? 2210 HOH A O 1 HETATM 2954 O O . HOH P 10 . ? 29.199 12.983 4.675 1.00 60.68 ? 2211 HOH A O 1 HETATM 2955 O O . HOH P 10 . ? 31.757 16.193 29.646 1.00 72.87 ? 2212 HOH A O 1 HETATM 2956 O O . HOH P 10 . ? -8.389 -11.321 10.535 1.00 59.13 ? 2213 HOH A O 1 HETATM 2957 O O . HOH P 10 . ? 6.578 14.512 39.748 1.00 71.02 ? 2214 HOH A O 1 HETATM 2958 O O . HOH P 10 . ? 12.821 16.626 5.241 1.00 59.60 ? 2215 HOH A O 1 HETATM 2959 O O . HOH P 10 . ? 0.595 7.828 8.192 1.00 48.92 ? 2216 HOH A O 1 HETATM 2960 O O . HOH P 10 . ? 4.434 -15.969 1.149 1.00 48.82 ? 2217 HOH A O 1 HETATM 2961 O O . HOH P 10 . ? 22.074 -13.150 12.280 1.00 49.71 ? 2218 HOH A O 1 HETATM 2962 O O . HOH P 10 . ? 15.118 -16.171 1.862 1.00 46.71 ? 2219 HOH A O 1 HETATM 2963 O O . HOH P 10 . ? -2.851 5.825 4.569 1.00 52.78 ? 2220 HOH A O 1 HETATM 2964 O O . HOH P 10 . ? 2.881 2.858 -7.726 1.00 58.59 ? 2221 HOH A O 1 HETATM 2965 O O . HOH P 10 . ? 30.685 7.394 32.527 1.00 52.28 ? 2222 HOH A O 1 HETATM 2966 O O . HOH P 10 . ? 7.124 -9.422 28.815 1.00 67.58 ? 2223 HOH A O 1 HETATM 2967 O O . HOH P 10 . ? 29.551 -9.889 13.888 1.00 61.40 ? 2224 HOH A O 1 HETATM 2968 O O . HOH P 10 . ? 41.503 1.152 1.885 1.00 86.07 ? 2225 HOH A O 1 HETATM 2969 O O . HOH P 10 . ? 29.894 17.733 34.682 1.00 49.11 ? 2226 HOH A O 1 HETATM 2970 O O . HOH P 10 . ? 16.463 21.157 -2.502 1.00 64.50 ? 2227 HOH A O 1 HETATM 2971 O O . HOH P 10 . ? 13.450 18.468 9.505 1.00 63.89 ? 2228 HOH A O 1 HETATM 2972 O O . HOH P 10 . ? 13.403 21.334 5.885 1.00 62.84 ? 2229 HOH A O 1 HETATM 2973 O O . HOH P 10 . ? 0.455 6.748 -4.095 1.00 57.93 ? 2230 HOH A O 1 HETATM 2974 O O . HOH P 10 . ? 11.453 19.588 27.425 1.00 54.92 ? 2231 HOH A O 1 HETATM 2975 O O . HOH P 10 . ? 28.767 23.415 5.859 1.00 76.46 ? 2232 HOH A O 1 HETATM 2976 O O . HOH P 10 . ? 24.628 9.175 -8.012 1.00 66.67 ? 2233 HOH A O 1 HETATM 2977 O O . HOH P 10 . ? 20.982 -17.206 13.882 1.00 54.46 ? 2234 HOH A O 1 HETATM 2978 O O . HOH P 10 . ? 44.975 0.580 20.537 1.00 76.25 ? 2235 HOH A O 1 HETATM 2979 O O . HOH P 10 . ? 2.262 8.421 14.378 1.00 63.21 ? 2236 HOH A O 1 HETATM 2980 O O . HOH P 10 . ? 29.229 -9.276 8.914 1.00 80.70 ? 2237 HOH A O 1 HETATM 2981 O O . HOH P 10 . ? -6.604 -4.683 11.997 1.00 62.24 ? 2238 HOH A O 1 HETATM 2982 O O . HOH P 10 . ? 23.051 10.484 -2.586 1.00 77.86 ? 2239 HOH A O 1 HETATM 2983 O O . HOH P 10 . ? 26.378 -0.021 0.119 1.00 72.91 ? 2240 HOH A O 1 HETATM 2984 O O . HOH P 10 . ? 10.203 12.296 34.373 1.00 75.61 ? 2241 HOH A O 1 HETATM 2985 O O . HOH P 10 . ? 32.673 -3.764 7.840 1.00 72.11 ? 2242 HOH A O 1 HETATM 2986 O O . HOH P 10 . ? -6.928 10.701 29.020 1.00 57.86 ? 2243 HOH A O 1 HETATM 2987 O O . HOH P 10 . ? -4.026 -9.918 27.266 1.00 80.29 ? 2244 HOH A O 1 HETATM 2988 O O . HOH P 10 . ? 28.763 6.482 5.153 1.00 100.11 ? 2245 HOH A O 1 HETATM 2989 O O . HOH P 10 . ? 34.282 0.899 33.270 1.00 92.70 ? 2246 HOH A O 1 HETATM 2990 O O . HOH P 10 . ? 22.176 -8.205 8.967 1.00 89.13 ? 2247 HOH A O 1 HETATM 2991 O O . HOH P 10 . ? 7.574 14.311 2.536 1.00 78.28 ? 2248 HOH A O 1 HETATM 2992 O O . HOH P 10 . ? 15.002 16.891 2.166 1.00 69.00 ? 2249 HOH A O 1 HETATM 2993 O O . HOH P 10 . ? 14.308 17.004 30.192 1.00 44.81 ? 2250 HOH A O 1 HETATM 2994 O O . HOH P 10 . ? 19.893 -16.475 27.096 1.00 80.00 ? 2251 HOH A O 1 HETATM 2995 O O . HOH P 10 . ? 4.536 12.745 38.999 1.00 80.13 ? 2252 HOH A O 1 HETATM 2996 O O . HOH P 10 . ? 5.175 14.623 28.491 1.00 79.06 ? 2253 HOH A O 1 HETATM 2997 O O . HOH P 10 . ? 4.336 12.210 7.956 1.00 45.59 ? 2254 HOH A O 1 HETATM 2998 O O . HOH P 10 . ? 9.927 3.525 33.859 1.00 78.86 ? 2255 HOH A O 1 HETATM 2999 O O . HOH P 10 . ? 43.808 3.324 12.463 1.00 67.03 ? 2256 HOH A O 1 HETATM 3000 O O . HOH P 10 . ? 39.104 -8.201 13.840 1.00 67.75 ? 2257 HOH A O 1 HETATM 3001 O O . HOH P 10 . ? 6.147 -22.286 15.746 1.00 63.66 ? 2258 HOH A O 1 HETATM 3002 O O . HOH P 10 . ? 36.282 17.401 26.606 1.00 75.65 ? 2259 HOH A O 1 HETATM 3003 O O . HOH P 10 . ? 12.870 20.522 30.281 1.00 48.34 ? 2260 HOH A O 1 HETATM 3004 O O . HOH P 10 . ? -6.689 -6.875 -1.070 1.00 82.49 ? 2261 HOH A O 1 HETATM 3005 O O . HOH P 10 . ? 46.330 16.010 21.677 1.00 64.32 ? 2262 HOH A O 1 HETATM 3006 O O . HOH P 10 . ? 32.144 -7.684 30.872 1.00 74.68 ? 2263 HOH A O 1 HETATM 3007 O O . HOH P 10 . ? 32.068 13.502 4.348 1.00 62.90 ? 2264 HOH A O 1 HETATM 3008 O O . HOH P 10 . ? 12.251 -5.426 25.625 1.00 121.91 ? 2265 HOH A O 1 HETATM 3009 O O . HOH P 10 . ? 13.785 -12.152 -7.563 1.00 83.38 ? 2266 HOH A O 1 HETATM 3010 O O . HOH P 10 . ? 32.201 20.097 13.845 1.00 63.20 ? 2267 HOH A O 1 HETATM 3011 O O . HOH P 10 . ? -0.229 18.163 23.797 1.00 62.81 ? 2268 HOH A O 1 HETATM 3012 O O . HOH P 10 . ? 19.370 0.944 -5.386 1.00 85.43 ? 2269 HOH A O 1 HETATM 3013 O O . HOH P 10 . ? -6.684 -2.603 14.037 1.00 55.69 ? 2270 HOH A O 1 HETATM 3014 O O . HOH P 10 . ? -6.775 -4.687 28.757 1.00 62.91 ? 2271 HOH A O 1 HETATM 3015 O O . HOH P 10 . ? 8.160 -9.141 -9.433 1.00 86.20 ? 2272 HOH A O 1 HETATM 3016 O O . HOH P 10 . ? 34.252 14.949 9.833 1.00 64.86 ? 2273 HOH A O 1 HETATM 3017 O O . HOH P 10 . ? 15.529 -9.799 -7.823 1.00 64.54 ? 2274 HOH A O 1 HETATM 3018 O O . HOH P 10 . ? 24.989 2.395 3.415 1.00 57.26 ? 2275 HOH A O 1 HETATM 3019 O O . HOH P 10 . ? 25.038 -0.837 -5.725 1.00 59.93 ? 2276 HOH A O 1 HETATM 3020 O O . HOH P 10 . ? 37.376 -10.076 16.207 1.00 82.45 ? 2277 HOH A O 1 HETATM 3021 O O . HOH P 10 . ? 14.013 19.609 18.162 1.00 76.39 ? 2278 HOH A O 1 HETATM 3022 O O . HOH P 10 . ? 25.431 -18.945 23.754 1.00 60.95 ? 2279 HOH A O 1 HETATM 3023 O O . HOH P 10 . ? 23.075 27.605 1.368 1.00 85.07 ? 2280 HOH A O 1 HETATM 3024 O O . HOH P 10 . ? -3.673 1.412 -3.660 1.00 70.05 ? 2281 HOH A O 1 HETATM 3025 O O . HOH P 10 . ? 23.204 0.711 3.909 1.00 55.37 ? 2282 HOH A O 1 HETATM 3026 O O . HOH P 10 . ? 37.986 15.242 30.697 1.00 82.20 ? 2283 HOH A O 1 HETATM 3027 O O . HOH P 10 . ? 20.958 17.663 23.819 1.00 48.67 ? 2284 HOH A O 1 HETATM 3028 O O . HOH P 10 . ? 6.404 8.914 15.410 1.00 113.89 ? 2285 HOH A O 1 HETATM 3029 O O . HOH P 10 . ? 5.877 6.511 30.836 1.00 72.01 ? 2286 HOH A O 1 HETATM 3030 O O . HOH P 10 . ? 35.507 -4.572 28.904 1.00 66.25 ? 2287 HOH A O 1 HETATM 3031 O O . HOH P 10 . ? 32.564 -2.036 32.349 1.00 71.51 ? 2288 HOH A O 1 HETATM 3032 O O . HOH P 10 . ? 1.665 9.957 8.002 1.00 35.72 ? 2289 HOH A O 1 HETATM 3033 O O . HOH P 10 . ? 1.294 10.796 12.061 1.00 69.19 ? 2290 HOH A O 1 HETATM 3034 O O . HOH P 10 . ? 44.011 -1.909 7.828 1.00 65.39 ? 2291 HOH A O 1 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 TYR 1 342 342 TYR TYR A . n A 1 2 THR 2 343 343 THR THR A . n A 1 3 ARG 3 344 344 ARG ARG A . n A 1 4 VAL 4 345 345 VAL VAL A . n A 1 5 VAL 5 346 346 VAL VAL A . n A 1 6 TRP 6 347 347 TRP TRP A . n A 1 7 CYS 7 348 348 CYS CYS A . n A 1 8 ALA 8 349 349 ALA ALA A . n A 1 9 VAL 9 350 350 VAL VAL A . n A 1 10 GLY 10 351 351 GLY GLY A . n A 1 11 PRO 11 352 352 PRO PRO A . n A 1 12 GLU 12 353 353 GLU GLU A . n A 1 13 GLU 13 354 354 GLU GLU A . n A 1 14 GLN 14 355 355 GLN GLN A . n A 1 15 LYS 15 356 356 LYS LYS A . n A 1 16 LYS 16 357 357 LYS LYS A . n A 1 17 CYS 17 358 358 CYS CYS A . n A 1 18 GLN 18 359 359 GLN GLN A . n A 1 19 GLN 19 360 360 GLN GLN A . n A 1 20 TRP 20 361 361 TRP TRP A . n A 1 21 SER 21 362 362 SER SER A . n A 1 22 GLN 22 363 363 GLN GLN A . n A 1 23 GLN 23 364 364 GLN GLN A . n A 1 24 SER 24 365 365 SER SER A . n A 1 25 GLY 25 366 366 GLY GLY A . n A 1 26 GLN 26 367 367 GLN GLN A . n A 1 27 ASN 27 368 368 ASN ASN A . n A 1 28 VAL 28 369 369 VAL VAL A . n A 1 29 THR 29 370 370 THR THR A . n A 1 30 CYS 30 371 371 CYS CYS A . n A 1 31 ALA 31 372 372 ALA ALA A . n A 1 32 THR 32 373 373 THR THR A . n A 1 33 ALA 33 374 374 ALA ALA A . n A 1 34 SER 34 375 375 SER SER A . n A 1 35 THR 35 376 376 THR THR A . n A 1 36 THR 36 377 377 THR THR A . n A 1 37 ASP 37 378 378 ASP ASP A . n A 1 38 ASP 38 379 379 ASP ASP A . n A 1 39 CYS 39 380 380 CYS CYS A . n A 1 40 ILE 40 381 381 ILE ILE A . n A 1 41 VAL 41 382 382 VAL VAL A . n A 1 42 LEU 42 383 383 LEU LEU A . n A 1 43 VAL 43 384 384 VAL VAL A . n A 1 44 LEU 44 385 385 LEU LEU A . n A 1 45 LYS 45 386 386 LYS LYS A . n A 1 46 GLY 46 387 387 GLY GLY A . n A 1 47 GLU 47 388 388 GLU GLU A . n A 1 48 ALA 48 389 389 ALA ALA A . n A 1 49 ASP 49 390 390 ASP ASP A . n A 1 50 ALA 50 391 391 ALA ALA A . n A 1 51 LEU 51 392 392 LEU LEU A . n A 1 52 ASN 52 393 393 ASN ASN A . n A 1 53 LEU 53 394 394 LEU LEU A . n A 1 54 ASP 54 395 395 ASP ASP A . n A 1 55 GLY 55 396 396 GLY GLY A . n A 1 56 GLY 56 397 397 GLY GLY A . n A 1 57 TYR 57 398 398 TYR TYR A . n A 1 58 ILE 58 399 399 ILE ILE A . n A 1 59 TYR 59 400 400 TYR TYR A . n A 1 60 THR 60 401 401 THR THR A . n A 1 61 ALA 61 402 402 ALA ALA A . n A 1 62 GLY 62 403 403 GLY GLY A . n A 1 63 LYS 63 404 404 LYS LYS A . n A 1 64 CYS 64 405 405 CYS CYS A . n A 1 65 GLY 65 406 406 GLY GLY A . n A 1 66 LEU 66 407 407 LEU LEU A . n A 1 67 VAL 67 408 408 VAL VAL A . n A 1 68 PRO 68 409 409 PRO PRO A . n A 1 69 VAL 69 410 410 VAL VAL A . n A 1 70 LEU 70 411 411 LEU LEU A . n A 1 71 ALA 71 412 412 ALA ALA A . n A 1 72 GLU 72 413 413 GLU GLU A . n A 1 73 ASN 73 414 414 ASN ASN A . n A 1 74 ARG 74 415 415 ARG ARG A . n A 1 75 LYS 75 416 416 LYS LYS A . n A 1 76 SER 76 417 417 SER SER A . n A 1 77 SER 77 418 418 SER SER A . n A 1 78 LYS 78 419 419 LYS LYS A . n A 1 79 HIS 79 420 420 HIS HIS A . n A 1 80 SER 80 421 421 SER SER A . n A 1 81 SER 81 422 422 SER SER A . n A 1 82 LEU 82 423 423 LEU LEU A . n A 1 83 ASP 83 424 424 ASP ASP A . n A 1 84 CYS 84 425 425 CYS CYS A . n A 1 85 VAL 85 426 426 VAL VAL A . n A 1 86 LEU 86 427 427 LEU LEU A . n A 1 87 ARG 87 428 428 ARG ARG A . n A 1 88 PRO 88 429 429 PRO PRO A . n A 1 89 THR 89 430 430 THR THR A . n A 1 90 GLU 90 431 431 GLU GLU A . n A 1 91 GLY 91 432 432 GLY GLY A . n A 1 92 TYR 92 433 433 TYR TYR A . n A 1 93 LEU 93 434 434 LEU LEU A . n A 1 94 ALA 94 435 435 ALA ALA A . n A 1 95 VAL 95 436 436 VAL VAL A . n A 1 96 ALA 96 437 437 ALA ALA A . n A 1 97 VAL 97 438 438 VAL VAL A . n A 1 98 VAL 98 439 439 VAL VAL A . n A 1 99 LYS 99 440 440 LYS LYS A . n A 1 100 LYS 100 441 441 LYS LYS A . n A 1 101 ALA 101 442 442 ALA ALA A . n A 1 102 ASN 102 443 443 ASN ASN A . n A 1 103 GLU 103 444 444 GLU GLU A . n A 1 104 GLY 104 445 445 GLY GLY A . n A 1 105 LEU 105 446 446 LEU LEU A . n A 1 106 THR 106 447 447 THR THR A . n A 1 107 TRP 107 448 448 TRP TRP A . n A 1 108 ASN 108 449 449 ASN ASN A . n A 1 109 SER 109 450 450 SER SER A . n A 1 110 LEU 110 451 451 LEU LEU A . n A 1 111 LYS 111 452 452 LYS LYS A . n A 1 112 ASP 112 453 453 ASP ASP A . n A 1 113 LYS 113 454 454 LYS LYS A . n A 1 114 LYS 114 455 455 LYS LYS A . n A 1 115 SER 115 456 456 SER SER A . n A 1 116 CYS 116 457 457 CYS CYS A . n A 1 117 HIS 117 458 458 HIS HIS A . n A 1 118 THR 118 459 459 THR THR A . n A 1 119 ALA 119 460 460 ALA ALA A . n A 1 120 VAL 120 461 461 VAL VAL A . n A 1 121 ASP 121 462 462 ASP ASP A . n A 1 122 ARG 122 463 463 ARG ARG A . n A 1 123 THR 123 464 464 THR THR A . n A 1 124 ALA 124 465 465 ALA ALA A . n A 1 125 GLY 125 466 466 GLY GLY A . n A 1 126 TRP 126 467 467 TRP TRP A . n A 1 127 ASN 127 468 468 ASN ASN A . n A 1 128 ILE 128 469 469 ILE ILE A . n A 1 129 PRO 129 470 470 PRO PRO A . n A 1 130 MET 130 471 471 MET MET A . n A 1 131 GLY 131 472 472 GLY GLY A . n A 1 132 LEU 132 473 473 LEU LEU A . n A 1 133 ILE 133 474 474 ILE ILE A . n A 1 134 VAL 134 475 475 VAL VAL A . n A 1 135 ASN 135 476 476 ASN ASN A . n A 1 136 GLN 136 477 477 GLN GLN A . n A 1 137 THR 137 478 478 THR THR A . n A 1 138 GLY 138 479 479 GLY GLY A . n A 1 139 SER 139 480 480 SER SER A . n A 1 140 CYS 140 481 481 CYS CYS A . n A 1 141 ALA 141 482 482 ALA ALA A . n A 1 142 PHE 142 483 483 PHE PHE A . n A 1 143 ASP 143 484 484 ASP ASP A . n A 1 144 GLU 144 485 485 GLU GLU A . n A 1 145 PHE 145 486 486 PHE PHE A . n A 1 146 PHE 146 487 487 PHE PHE A . n A 1 147 SER 147 488 488 SER SER A . n A 1 148 GLN 148 489 489 GLN GLN A . n A 1 149 SER 149 490 490 SER SER A . n A 1 150 CYS 150 491 491 CYS CYS A . n A 1 151 ALA 151 492 492 ALA ALA A . n A 1 152 PRO 152 493 493 PRO PRO A . n A 1 153 GLY 153 494 494 GLY GLY A . n A 1 154 ALA 154 495 495 ALA ALA A . n A 1 155 ASP 155 496 496 ASP ASP A . n A 1 156 PRO 156 497 497 PRO PRO A . n A 1 157 LYS 157 498 498 LYS LYS A . n A 1 158 SER 158 499 499 SER SER A . n A 1 159 ARG 159 500 500 ARG ARG A . n A 1 160 LEU 160 501 501 LEU LEU A . n A 1 161 CYS 161 502 502 CYS CYS A . n A 1 162 ALA 162 503 503 ALA ALA A . n A 1 163 LEU 163 504 504 LEU LEU A . n A 1 164 CYS 164 505 505 CYS CYS A . n A 1 165 ALA 165 506 506 ALA ALA A . n A 1 166 GLY 166 507 507 GLY GLY A . n A 1 167 ASP 167 508 508 ASP ASP A . n A 1 168 ASP 168 509 509 ASP ASP A . n A 1 169 GLN 169 510 510 GLN GLN A . n A 1 170 GLY 170 511 511 GLY GLY A . n A 1 171 LEU 171 512 512 LEU LEU A . n A 1 172 ASP 172 513 513 ASP ASP A . n A 1 173 LYS 173 514 514 LYS LYS A . n A 1 174 CYS 174 515 515 CYS CYS A . n A 1 175 VAL 175 516 516 VAL VAL A . n A 1 176 PRO 176 517 517 PRO PRO A . n A 1 177 ASN 177 518 518 ASN ASN A . n A 1 178 SER 178 519 519 SER SER A . n A 1 179 LYS 179 520 520 LYS LYS A . n A 1 180 GLU 180 521 521 GLU GLU A . n A 1 181 LYS 181 522 522 LYS LYS A . n A 1 182 TYR 182 523 523 TYR TYR A . n A 1 183 TYR 183 524 524 TYR TYR A . n A 1 184 GLY 184 525 525 GLY GLY A . n A 1 185 TYR 185 526 526 TYR TYR A . n A 1 186 THR 186 527 527 THR THR A . n A 1 187 GLY 187 528 528 GLY GLY A . n A 1 188 ALA 188 529 529 ALA ALA A . n A 1 189 PHE 189 530 530 PHE PHE A . n A 1 190 ARG 190 531 531 ARG ARG A . n A 1 191 CYS 191 532 532 CYS CYS A . n A 1 192 LEU 192 533 533 LEU LEU A . n A 1 193 ALA 193 534 534 ALA ALA A . n A 1 194 GLU 194 535 535 GLU GLU A . n A 1 195 ASP 195 536 536 ASP ASP A . n A 1 196 VAL 196 537 537 VAL VAL A . n A 1 197 GLY 197 538 538 GLY GLY A . n A 1 198 ASP 198 539 539 ASP ASP A . n A 1 199 VAL 199 540 540 VAL VAL A . n A 1 200 ALA 200 541 541 ALA ALA A . n A 1 201 PHE 201 542 542 PHE PHE A . n A 1 202 VAL 202 543 543 VAL VAL A . n A 1 203 LYS 203 544 544 LYS LYS A . n A 1 204 ASN 204 545 545 ASN ASN A . n A 1 205 ASP 205 546 546 ASP ASP A . n A 1 206 THR 206 547 547 THR THR A . n A 1 207 VAL 207 548 548 VAL VAL A . n A 1 208 TRP 208 549 549 TRP TRP A . n A 1 209 GLU 209 550 550 GLU GLU A . n A 1 210 ASN 210 551 551 ASN ASN A . n A 1 211 THR 211 552 552 THR THR A . n A 1 212 ASN 212 553 553 ASN ASN A . n A 1 213 GLY 213 554 554 GLY GLY A . n A 1 214 GLU 214 555 555 GLU GLU A . n A 1 215 SER 215 556 556 SER SER A . n A 1 216 THR 216 557 557 THR THR A . n A 1 217 ALA 217 558 558 ALA ALA A . n A 1 218 ASP 218 559 559 ASP ASP A . n A 1 219 TRP 219 560 560 TRP TRP A . n A 1 220 ALA 220 561 561 ALA ALA A . n A 1 221 LYS 221 562 562 LYS LYS A . n A 1 222 ASN 222 563 563 ASN ASN A . n A 1 223 LEU 223 564 564 LEU LEU A . n A 1 224 LYS 224 565 565 LYS LYS A . n A 1 225 ARG 225 566 566 ARG ARG A . n A 1 226 GLU 226 567 567 GLU GLU A . n A 1 227 ASP 227 568 568 ASP ASP A . n A 1 228 PHE 228 569 569 PHE PHE A . n A 1 229 ARG 229 570 570 ARG ARG A . n A 1 230 LEU 230 571 571 LEU LEU A . n A 1 231 LEU 231 572 572 LEU LEU A . n A 1 232 CYS 232 573 573 CYS CYS A . n A 1 233 LEU 233 574 574 LEU LEU A . n A 1 234 ASP 234 575 575 ASP ASP A . n A 1 235 GLY 235 576 576 GLY GLY A . n A 1 236 THR 236 577 577 THR THR A . n A 1 237 ARG 237 578 578 ARG ARG A . n A 1 238 LYS 238 579 579 LYS LYS A . n A 1 239 PRO 239 580 580 PRO PRO A . n A 1 240 VAL 240 581 581 VAL VAL A . n A 1 241 THR 241 582 582 THR THR A . n A 1 242 GLU 242 583 583 GLU GLU A . n A 1 243 ALA 243 584 584 ALA ALA A . n A 1 244 GLN 244 585 585 GLN GLN A . n A 1 245 SER 245 586 586 SER SER A . n A 1 246 CYS 246 587 587 CYS CYS A . n A 1 247 HIS 247 588 588 HIS HIS A . n A 1 248 LEU 248 589 589 LEU LEU A . n A 1 249 ALA 249 590 590 ALA ALA A . n A 1 250 VAL 250 591 591 VAL VAL A . n A 1 251 ALA 251 592 592 ALA ALA A . n A 1 252 PRO 252 593 593 PRO PRO A . n A 1 253 ASN 253 594 594 ASN ASN A . n A 1 254 HIS 254 595 595 HIS HIS A . n A 1 255 ALA 255 596 596 ALA ALA A . n A 1 256 VAL 256 597 597 VAL VAL A . n A 1 257 VAL 257 598 598 VAL VAL A . n A 1 258 SER 258 599 599 SER SER A . n A 1 259 ARG 259 600 600 ARG ARG A . n A 1 260 SER 260 601 601 SER SER A . n A 1 261 ASP 261 602 602 ASP ASP A . n A 1 262 ARG 262 603 603 ARG ARG A . n A 1 263 ALA 263 604 604 ALA ALA A . n A 1 264 ALA 264 605 605 ALA ALA A . n A 1 265 HIS 265 606 606 HIS HIS A . n A 1 266 VAL 266 607 607 VAL VAL A . n A 1 267 GLU 267 608 608 GLU GLU A . n A 1 268 GLN 268 609 609 GLN GLN A . n A 1 269 VAL 269 610 610 VAL VAL A . n A 1 270 LEU 270 611 611 LEU LEU A . n A 1 271 LEU 271 612 612 LEU LEU A . n A 1 272 HIS 272 613 613 HIS HIS A . n A 1 273 GLN 273 614 614 GLN GLN A . n A 1 274 GLN 274 615 615 GLN GLN A . n A 1 275 ALA 275 616 616 ALA ALA A . n A 1 276 LEU 276 617 617 LEU LEU A . n A 1 277 PHE 277 618 618 PHE PHE A . n A 1 278 GLY 278 619 619 GLY GLY A . n A 1 279 LYS 279 620 620 LYS LYS A . n A 1 280 ASN 280 621 621 ASN ASN A . n A 1 281 GLY 281 622 622 GLY GLY A . n A 1 282 LYS 282 623 623 LYS LYS A . n A 1 283 ASN 283 624 624 ASN ASN A . n A 1 284 CYS 284 625 625 CYS CYS A . n A 1 285 PRO 285 626 626 PRO PRO A . n A 1 286 ASP 286 627 627 ASP ASP A . n A 1 287 LYS 287 628 628 LYS LYS A . n A 1 288 PHE 288 629 629 PHE PHE A . n A 1 289 CYS 289 630 630 CYS CYS A . n A 1 290 LEU 290 631 631 LEU LEU A . n A 1 291 PHE 291 632 632 PHE PHE A . n A 1 292 LYS 292 633 633 LYS LYS A . n A 1 293 SER 293 634 634 SER SER A . n A 1 294 GLU 294 635 635 GLU GLU A . n A 1 295 THR 295 636 636 THR THR A . n A 1 296 LYS 296 637 637 LYS LYS A . n A 1 297 ASN 297 638 638 ASN ASN A . n A 1 298 LEU 298 639 639 LEU LEU A . n A 1 299 LEU 299 640 640 LEU LEU A . n A 1 300 PHE 300 641 641 PHE PHE A . n A 1 301 ASN 301 642 642 ASN ASN A . n A 1 302 ASP 302 643 643 ASP ASP A . n A 1 303 ASN 303 644 644 ASN ASN A . n A 1 304 THR 304 645 645 THR THR A . n A 1 305 GLU 305 646 646 GLU GLU A . n A 1 306 CYS 306 647 647 CYS CYS A . n A 1 307 LEU 307 648 648 LEU LEU A . n A 1 308 ALA 308 649 649 ALA ALA A . n A 1 309 LYS 309 650 650 LYS LYS A . n A 1 310 LEU 310 651 651 LEU LEU A . n A 1 311 GLY 311 652 652 GLY GLY A . n A 1 312 GLY 312 653 653 GLY GLY A . n A 1 313 ARG 313 654 654 ARG ARG A . n A 1 314 PRO 314 655 655 PRO PRO A . n A 1 315 THR 315 656 656 THR THR A . n A 1 316 TYR 316 657 657 TYR TYR A . n A 1 317 GLU 317 658 658 GLU GLU A . n A 1 318 GLU 318 659 659 GLU GLU A . n A 1 319 TYR 319 660 660 TYR TYR A . n A 1 320 LEU 320 661 661 LEU LEU A . n A 1 321 GLY 321 662 662 GLY GLY A . n A 1 322 THR 322 663 663 THR THR A . n A 1 323 GLU 323 664 664 GLU GLU A . n A 1 324 TYR 324 665 665 TYR TYR A . n A 1 325 VAL 325 666 666 VAL VAL A . n A 1 326 THR 326 667 667 THR THR A . n A 1 327 ALA 327 668 668 ALA ALA A . n A 1 328 ILE 328 669 669 ILE ILE A . n A 1 329 ALA 329 670 670 ALA ALA A . n A 1 330 ASN 330 671 671 ASN ASN A . n A 1 331 LEU 331 672 672 LEU LEU A . n A 1 332 LYS 332 673 673 LYS LYS A . n A 1 333 LYS 333 674 674 LYS LYS A . n A 1 334 CYS 334 675 675 CYS CYS A . n A 1 335 SER 335 676 676 SER SER A . n A 1 336 THR 336 677 ? ? ? A . n A 1 337 SER 337 678 ? ? ? A . n A 1 338 PRO 338 679 ? ? ? A . n A 1 339 LEU 339 680 ? ? ? A . n A 1 340 LEU 340 681 681 LEU LEU A . n A 1 341 GLU 341 682 682 GLU GLU A . n A 1 342 ALA 342 683 683 ALA ALA A . n A 1 343 CYS 343 684 684 CYS CYS A . n A 1 344 ALA 344 685 685 ALA ALA A . n A 1 345 PHE 345 686 686 PHE PHE A . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 NAG 1 1001 1001 NAG NAG A . C 2 NAG 1 2 2 NAG NAG A . D 2 NAG 2 3 3 NAG NAG A . E 3 BMA 3 4 4 BMA MAN A . F 2 NAG 1 5 5 NAG NAG A . G 2 NAG 2 6 6 NAG NAG A . H 4 MAN 3 7 7 MAN MAN A . I 3 BMA 4 8 8 BMA MAN A . J 5 FE 1 1687 1687 FE FE A . K 6 CO3 1 1999 1999 CO3 CO3 A . L 7 SO4 1 2000 501 SO4 SO4 A . M 8 ZN 1 1101 1101 ZN ZN A . N 8 ZN 1 1102 1102 ZN ZN A . O 9 TRE 1 1151 1151 TRE TRE A . P 10 HOH 1 2001 1 HOH HOH A . P 10 HOH 2 2002 2 HOH HOH A . P 10 HOH 3 2003 3 HOH HOH A . P 10 HOH 4 2004 4 HOH HOH A . P 10 HOH 5 2005 5 HOH HOH A . P 10 HOH 6 2006 6 HOH HOH A . P 10 HOH 7 2007 7 HOH HOH A . P 10 HOH 8 2008 8 HOH HOH A . P 10 HOH 9 2009 9 HOH HOH A . P 10 HOH 10 2010 10 HOH HOH A . P 10 HOH 11 2011 11 HOH HOH A . P 10 HOH 12 2012 12 HOH HOH A . P 10 HOH 13 2013 13 HOH HOH A . P 10 HOH 14 2014 14 HOH HOH A . P 10 HOH 15 2015 15 HOH HOH A . P 10 HOH 16 2016 16 HOH HOH A . P 10 HOH 17 2017 17 HOH HOH A . P 10 HOH 18 2018 18 HOH HOH A . P 10 HOH 19 2019 19 HOH HOH A . P 10 HOH 20 2020 20 HOH HOH A . P 10 HOH 21 2021 21 HOH HOH A . P 10 HOH 22 2022 22 HOH HOH A . P 10 HOH 23 2023 23 HOH HOH A . P 10 HOH 24 2024 24 HOH HOH A . P 10 HOH 25 2025 25 HOH HOH A . P 10 HOH 26 2026 26 HOH HOH A . P 10 HOH 27 2027 27 HOH HOH A . P 10 HOH 28 2028 28 HOH HOH A . P 10 HOH 29 2029 29 HOH HOH A . P 10 HOH 30 2030 30 HOH HOH A . P 10 HOH 31 2031 31 HOH HOH A . P 10 HOH 32 2032 32 HOH HOH A . P 10 HOH 33 2033 33 HOH HOH A . P 10 HOH 34 2034 34 HOH HOH A . P 10 HOH 35 2035 35 HOH HOH A . P 10 HOH 36 2036 36 HOH HOH A . P 10 HOH 37 2037 37 HOH HOH A . P 10 HOH 38 2038 38 HOH HOH A . P 10 HOH 39 2039 39 HOH HOH A . P 10 HOH 40 2040 40 HOH HOH A . P 10 HOH 41 2041 41 HOH HOH A . P 10 HOH 42 2042 42 HOH HOH A . P 10 HOH 43 2043 43 HOH HOH A . P 10 HOH 44 2044 44 HOH HOH A . P 10 HOH 45 2045 45 HOH HOH A . P 10 HOH 46 2046 46 HOH HOH A . P 10 HOH 47 2047 47 HOH HOH A . P 10 HOH 48 2048 48 HOH HOH A . P 10 HOH 49 2049 49 HOH HOH A . P 10 HOH 50 2050 50 HOH HOH A . P 10 HOH 51 2051 51 HOH HOH A . P 10 HOH 52 2052 52 HOH HOH A . P 10 HOH 53 2053 53 HOH HOH A . P 10 HOH 54 2054 54 HOH HOH A . P 10 HOH 55 2055 55 HOH HOH A . P 10 HOH 56 2056 56 HOH HOH A . P 10 HOH 57 2057 57 HOH HOH A . P 10 HOH 58 2058 58 HOH HOH A . P 10 HOH 59 2059 59 HOH HOH A . P 10 HOH 60 2060 60 HOH HOH A . P 10 HOH 61 2061 61 HOH HOH A . P 10 HOH 62 2062 62 HOH HOH A . P 10 HOH 63 2063 63 HOH HOH A . P 10 HOH 64 2064 64 HOH HOH A . P 10 HOH 65 2065 65 HOH HOH A . P 10 HOH 66 2066 66 HOH HOH A . P 10 HOH 67 2067 67 HOH HOH A . P 10 HOH 68 2068 68 HOH HOH A . P 10 HOH 69 2069 69 HOH HOH A . P 10 HOH 70 2070 70 HOH HOH A . P 10 HOH 71 2071 71 HOH HOH A . P 10 HOH 72 2072 72 HOH HOH A . P 10 HOH 73 2073 73 HOH HOH A . P 10 HOH 74 2074 74 HOH HOH A . P 10 HOH 75 2075 75 HOH HOH A . P 10 HOH 76 2076 76 HOH HOH A . P 10 HOH 77 2077 77 HOH HOH A . P 10 HOH 78 2078 78 HOH HOH A . P 10 HOH 79 2079 79 HOH HOH A . P 10 HOH 80 2080 80 HOH HOH A . P 10 HOH 81 2081 81 HOH HOH A . P 10 HOH 82 2082 82 HOH HOH A . P 10 HOH 83 2083 83 HOH HOH A . P 10 HOH 84 2084 84 HOH HOH A . P 10 HOH 85 2085 85 HOH HOH A . P 10 HOH 86 2086 86 HOH HOH A . P 10 HOH 87 2087 87 HOH HOH A . P 10 HOH 88 2088 88 HOH HOH A . P 10 HOH 89 2089 89 HOH HOH A . P 10 HOH 90 2090 90 HOH HOH A . P 10 HOH 91 2091 91 HOH HOH A . P 10 HOH 92 2092 92 HOH HOH A . P 10 HOH 93 2093 93 HOH HOH A . P 10 HOH 94 2094 94 HOH HOH A . P 10 HOH 95 2095 95 HOH HOH A . P 10 HOH 96 2096 96 HOH HOH A . P 10 HOH 97 2097 97 HOH HOH A . P 10 HOH 98 2098 98 HOH HOH A . P 10 HOH 99 2099 99 HOH HOH A . P 10 HOH 100 2100 100 HOH HOH A . P 10 HOH 101 2101 101 HOH HOH A . P 10 HOH 102 2102 102 HOH HOH A . P 10 HOH 103 2103 103 HOH HOH A . P 10 HOH 104 2104 104 HOH HOH A . P 10 HOH 105 2105 105 HOH HOH A . P 10 HOH 106 2106 106 HOH HOH A . P 10 HOH 107 2107 107 HOH HOH A . P 10 HOH 108 2108 108 HOH HOH A . P 10 HOH 109 2109 109 HOH HOH A . P 10 HOH 110 2110 110 HOH HOH A . P 10 HOH 111 2111 111 HOH HOH A . P 10 HOH 112 2112 112 HOH HOH A . P 10 HOH 113 2113 113 HOH HOH A . P 10 HOH 114 2114 114 HOH HOH A . P 10 HOH 115 2115 115 HOH HOH A . P 10 HOH 116 2116 116 HOH HOH A . P 10 HOH 117 2117 117 HOH HOH A . P 10 HOH 118 2118 118 HOH HOH A . P 10 HOH 119 2119 119 HOH HOH A . P 10 HOH 120 2120 120 HOH HOH A . P 10 HOH 121 2121 121 HOH HOH A . P 10 HOH 122 2122 122 HOH HOH A . P 10 HOH 123 2123 123 HOH HOH A . P 10 HOH 124 2124 124 HOH HOH A . P 10 HOH 125 2125 125 HOH HOH A . P 10 HOH 126 2126 126 HOH HOH A . P 10 HOH 127 2127 127 HOH HOH A . P 10 HOH 128 2128 128 HOH HOH A . P 10 HOH 129 2129 129 HOH HOH A . P 10 HOH 130 2130 130 HOH HOH A . P 10 HOH 131 2131 131 HOH HOH A . P 10 HOH 132 2132 132 HOH HOH A . P 10 HOH 133 2133 133 HOH HOH A . P 10 HOH 134 2134 134 HOH HOH A . P 10 HOH 135 2135 135 HOH HOH A . P 10 HOH 136 2136 136 HOH HOH A . P 10 HOH 137 2137 137 HOH HOH A . P 10 HOH 138 2138 138 HOH HOH A . P 10 HOH 139 2139 139 HOH HOH A . P 10 HOH 140 2140 140 HOH HOH A . P 10 HOH 141 2141 141 HOH HOH A . P 10 HOH 142 2142 142 HOH HOH A . P 10 HOH 143 2143 143 HOH HOH A . P 10 HOH 144 2144 144 HOH HOH A . P 10 HOH 145 2145 145 HOH HOH A . P 10 HOH 146 2146 146 HOH HOH A . P 10 HOH 147 2147 147 HOH HOH A . P 10 HOH 148 2148 148 HOH HOH A . P 10 HOH 149 2149 149 HOH HOH A . P 10 HOH 150 2150 150 HOH HOH A . P 10 HOH 151 2151 151 HOH HOH A . P 10 HOH 152 2152 152 HOH HOH A . P 10 HOH 153 2153 153 HOH HOH A . P 10 HOH 154 2154 154 HOH HOH A . P 10 HOH 155 2155 155 HOH HOH A . P 10 HOH 156 2156 156 HOH HOH A . P 10 HOH 157 2157 157 HOH HOH A . P 10 HOH 158 2158 158 HOH HOH A . P 10 HOH 159 2159 159 HOH HOH A . P 10 HOH 160 2160 160 HOH HOH A . P 10 HOH 161 2161 161 HOH HOH A . P 10 HOH 162 2162 162 HOH HOH A . P 10 HOH 163 2163 163 HOH HOH A . P 10 HOH 164 2164 164 HOH HOH A . P 10 HOH 165 2165 165 HOH HOH A . P 10 HOH 166 2166 166 HOH HOH A . P 10 HOH 167 2167 167 HOH HOH A . P 10 HOH 168 2168 168 HOH HOH A . P 10 HOH 169 2169 169 HOH HOH A . P 10 HOH 170 2170 170 HOH HOH A . P 10 HOH 171 2171 171 HOH HOH A . P 10 HOH 172 2172 172 HOH HOH A . P 10 HOH 173 2173 173 HOH HOH A . P 10 HOH 174 2174 174 HOH HOH A . P 10 HOH 175 2175 175 HOH HOH A . P 10 HOH 176 2176 176 HOH HOH A . P 10 HOH 177 2177 177 HOH HOH A . P 10 HOH 178 2178 178 HOH HOH A . P 10 HOH 179 2179 179 HOH HOH A . P 10 HOH 180 2180 180 HOH HOH A . P 10 HOH 181 2181 181 HOH HOH A . P 10 HOH 182 2182 182 HOH HOH A . P 10 HOH 183 2183 183 HOH HOH A . P 10 HOH 184 2184 184 HOH HOH A . P 10 HOH 185 2185 185 HOH HOH A . P 10 HOH 186 2186 186 HOH HOH A . P 10 HOH 187 2187 187 HOH HOH A . P 10 HOH 188 2188 188 HOH HOH A . P 10 HOH 189 2189 189 HOH HOH A . P 10 HOH 190 2190 190 HOH HOH A . P 10 HOH 191 2191 191 HOH HOH A . P 10 HOH 192 2192 192 HOH HOH A . P 10 HOH 193 2193 193 HOH HOH A . P 10 HOH 194 2194 194 HOH HOH A . P 10 HOH 195 2195 195 HOH HOH A . P 10 HOH 196 2196 196 HOH HOH A . P 10 HOH 197 2197 197 HOH HOH A . P 10 HOH 198 2198 198 HOH HOH A . P 10 HOH 199 2199 199 HOH HOH A . P 10 HOH 200 2200 200 HOH HOH A . P 10 HOH 201 2201 201 HOH HOH A . P 10 HOH 202 2202 202 HOH HOH A . P 10 HOH 203 2203 203 HOH HOH A . P 10 HOH 204 2204 204 HOH HOH A . P 10 HOH 205 2205 205 HOH HOH A . P 10 HOH 206 2206 206 HOH HOH A . P 10 HOH 207 2207 207 HOH HOH A . P 10 HOH 208 2208 208 HOH HOH A . P 10 HOH 209 2209 209 HOH HOH A . P 10 HOH 210 2210 210 HOH HOH A . P 10 HOH 211 2211 211 HOH HOH A . P 10 HOH 212 2212 212 HOH HOH A . P 10 HOH 213 2213 213 HOH HOH A . P 10 HOH 214 2214 214 HOH HOH A . P 10 HOH 215 2215 215 HOH HOH A . P 10 HOH 216 2216 216 HOH HOH A . P 10 HOH 217 2217 217 HOH HOH A . P 10 HOH 218 2218 218 HOH HOH A . P 10 HOH 219 2219 219 HOH HOH A . P 10 HOH 220 2220 220 HOH HOH A . P 10 HOH 221 2221 221 HOH HOH A . P 10 HOH 222 2222 222 HOH HOH A . P 10 HOH 223 2223 223 HOH HOH A . P 10 HOH 224 2224 224 HOH HOH A . P 10 HOH 225 2225 225 HOH HOH A . P 10 HOH 226 2226 226 HOH HOH A . P 10 HOH 227 2227 227 HOH HOH A . P 10 HOH 228 2228 228 HOH HOH A . P 10 HOH 229 2229 229 HOH HOH A . P 10 HOH 230 2230 230 HOH HOH A . P 10 HOH 231 2231 231 HOH HOH A . P 10 HOH 232 2232 232 HOH HOH A . P 10 HOH 233 2233 233 HOH HOH A . P 10 HOH 234 2234 234 HOH HOH A . P 10 HOH 235 2235 235 HOH HOH A . P 10 HOH 236 2236 236 HOH HOH A . P 10 HOH 237 2237 237 HOH HOH A . P 10 HOH 238 2238 238 HOH HOH A . P 10 HOH 239 2239 239 HOH HOH A . P 10 HOH 240 2240 240 HOH HOH A . P 10 HOH 241 2241 241 HOH HOH A . P 10 HOH 242 2242 242 HOH HOH A . P 10 HOH 243 2243 243 HOH HOH A . P 10 HOH 244 2244 244 HOH HOH A . P 10 HOH 245 2245 245 HOH HOH A . P 10 HOH 246 2246 246 HOH HOH A . P 10 HOH 247 2247 247 HOH HOH A . P 10 HOH 248 2248 248 HOH HOH A . P 10 HOH 249 2249 249 HOH HOH A . P 10 HOH 250 2250 250 HOH HOH A . P 10 HOH 251 2251 251 HOH HOH A . P 10 HOH 252 2252 252 HOH HOH A . P 10 HOH 253 2253 253 HOH HOH A . P 10 HOH 254 2254 254 HOH HOH A . P 10 HOH 255 2255 255 HOH HOH A . P 10 HOH 256 2256 256 HOH HOH A . P 10 HOH 257 2257 257 HOH HOH A . P 10 HOH 258 2258 258 HOH HOH A . P 10 HOH 259 2259 259 HOH HOH A . P 10 HOH 260 2260 260 HOH HOH A . P 10 HOH 261 2261 261 HOH HOH A . P 10 HOH 262 2262 262 HOH HOH A . P 10 HOH 263 2263 263 HOH HOH A . P 10 HOH 264 2264 264 HOH HOH A . P 10 HOH 265 2265 265 HOH HOH A . P 10 HOH 266 2266 266 HOH HOH A . P 10 HOH 267 2267 267 HOH HOH A . P 10 HOH 268 2268 268 HOH HOH A . P 10 HOH 269 2269 269 HOH HOH A . P 10 HOH 270 2270 270 HOH HOH A . P 10 HOH 271 2271 271 HOH HOH A . P 10 HOH 272 2272 272 HOH HOH A . P 10 HOH 273 2273 273 HOH HOH A . P 10 HOH 274 2274 274 HOH HOH A . P 10 HOH 275 2275 275 HOH HOH A . P 10 HOH 276 2276 276 HOH HOH A . P 10 HOH 277 2277 277 HOH HOH A . P 10 HOH 278 2278 278 HOH HOH A . P 10 HOH 279 2279 279 HOH HOH A . P 10 HOH 280 2280 280 HOH HOH A . P 10 HOH 281 2281 281 HOH HOH A . P 10 HOH 282 2282 282 HOH HOH A . P 10 HOH 283 2283 283 HOH HOH A . P 10 HOH 284 2284 284 HOH HOH A . P 10 HOH 285 2285 285 HOH HOH A . P 10 HOH 286 2286 286 HOH HOH A . P 10 HOH 287 2287 287 HOH HOH A . P 10 HOH 288 2288 288 HOH HOH A . P 10 HOH 289 2289 289 HOH HOH A . P 10 HOH 290 2290 290 HOH HOH A . P 10 HOH 291 2291 291 HOH HOH A . # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 A ASN 27 A ASN 368 ? ASN 'GLYCOSYLATION SITE' 2 A ASN 135 A ASN 476 ? ASN 'GLYCOSYLATION SITE' 3 A ASN 204 A ASN 545 ? ASN 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_defined_assembly _pdbx_struct_assembly.method_details ? _pdbx_struct_assembly.oligomeric_details monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P # _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 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? J FE . ? A FE 1687 ? 1_555 OH ? A TYR 92 ? A TYR 433 ? 1_555 89.2 ? 2 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? J FE . ? A FE 1687 ? 1_555 OH ? A TYR 185 ? A TYR 526 ? 1_555 172.2 ? 3 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? J FE . ? A FE 1687 ? 1_555 OH ? A TYR 185 ? A TYR 526 ? 1_555 97.5 ? 4 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? J FE . ? A FE 1687 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 87.3 ? 5 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? J FE . ? A FE 1687 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 100.3 ? 6 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? J FE . ? A FE 1687 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 87.5 ? 7 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? J FE . ? A FE 1687 ? 1_555 O1 ? K CO3 . ? A CO3 1999 ? 1_555 87.1 ? 8 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? J FE . ? A FE 1687 ? 1_555 O1 ? K CO3 . ? A CO3 1999 ? 1_555 158.1 ? 9 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? J FE . ? A FE 1687 ? 1_555 O1 ? K CO3 . ? A CO3 1999 ? 1_555 88.0 ? 10 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 FE ? J FE . ? A FE 1687 ? 1_555 O1 ? K CO3 . ? A CO3 1999 ? 1_555 101.1 ? 11 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? J FE . ? A FE 1687 ? 1_555 O2 ? K CO3 . ? A CO3 1999 ? 1_555 89.2 ? 12 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? J FE . ? A FE 1687 ? 1_555 O2 ? K CO3 . ? A CO3 1999 ? 1_555 93.1 ? 13 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? J FE . ? A FE 1687 ? 1_555 O2 ? K CO3 . ? A CO3 1999 ? 1_555 94.4 ? 14 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 FE ? J FE . ? A FE 1687 ? 1_555 O2 ? K CO3 . ? A CO3 1999 ? 1_555 166.1 ? 15 O1 ? K CO3 . ? A CO3 1999 ? 1_555 FE ? J FE . ? A FE 1687 ? 1_555 O2 ? K CO3 . ? A CO3 1999 ? 1_555 65.3 ? 16 NE2 ? A HIS 247 ? A HIS 588 ? 1_555 ZN ? N ZN . ? A ZN 1102 ? 1_555 O ? P HOH . ? A HOH 2289 ? 1_555 95.2 ? 17 NE2 ? A HIS 247 ? A HIS 588 ? 1_555 ZN ? N ZN . ? A ZN 1102 ? 1_555 O ? P HOH . ? A HOH 2254 ? 1_555 116.8 ? 18 O ? P HOH . ? A HOH 2289 ? 1_555 ZN ? N ZN . ? A ZN 1102 ? 1_555 O ? P HOH . ? A HOH 2254 ? 1_555 133.6 ? 19 OE1 ? A GLU 318 ? A GLU 659 ? 1_555 ZN ? M ZN . ? A ZN 1101 ? 1_555 OE2 ? A GLU 318 ? A GLU 659 ? 1_555 59.8 ? 20 OE1 ? A GLU 318 ? A GLU 659 ? 1_555 ZN ? M ZN . ? A ZN 1101 ? 1_555 O ? P HOH . ? A HOH 2194 ? 1_555 100.6 ? 21 OE2 ? A GLU 318 ? A GLU 659 ? 1_555 ZN ? M ZN . ? A ZN 1101 ? 1_555 O ? P HOH . ? A HOH 2194 ? 1_555 97.5 ? # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2006-09-19 2 'Structure model' 1 1 2008-04-30 3 'Structure model' 1 2 2011-07-13 4 'Structure model' 1 3 2017-10-11 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Version format compliance' 2 3 'Structure model' 'Non-polymer description' 3 3 'Structure model' 'Version format compliance' 4 4 'Structure model' 'Refinement description' # _pdbx_audit_revision_category.ordinal 1 _pdbx_audit_revision_category.revision_ordinal 4 _pdbx_audit_revision_category.data_content_type 'Structure model' _pdbx_audit_revision_category.category software # _pdbx_audit_revision_item.ordinal 1 _pdbx_audit_revision_item.revision_ordinal 4 _pdbx_audit_revision_item.data_content_type 'Structure model' _pdbx_audit_revision_item.item '_software.name' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal REFMAC refinement 5.0 ? 1 MAR345 'data collection' 345DTB ? 2 AUTOMAR 'data reduction' . ? 3 AMoRE phasing . ? 4 # _pdbx_entry_details.entry_id 2DXY _pdbx_entry_details.compound_details ? _pdbx_entry_details.source_details ? _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. ; # 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 CB A ASP 378 ? ? CG A ASP 378 ? ? OD2 A ASP 378 ? ? 124.36 118.30 6.06 0.90 N 2 1 CB A ASP 424 ? ? CG A ASP 424 ? ? OD2 A ASP 424 ? ? 123.81 118.30 5.51 0.90 N 3 1 CB A ASP 536 ? ? CG A ASP 536 ? ? OD2 A ASP 536 ? ? 123.83 118.30 5.53 0.90 N 4 1 CA A PRO 655 ? ? N A PRO 655 ? ? CD A PRO 655 ? ? 97.43 111.70 -14.27 1.40 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 SER A 417 ? ? -107.13 -169.74 2 1 SER A 418 ? ? -136.24 -48.51 3 1 ASP A 462 ? ? 80.58 0.91 4 1 TRP A 467 ? ? -141.24 -59.88 5 1 ASP A 509 ? ? -53.37 -3.09 6 1 VAL A 543 ? ? -140.72 -159.08 7 1 SER A 634 ? ? -175.44 36.14 8 1 LEU A 640 ? ? 71.71 -46.50 9 1 ALA A 683 ? ? -140.47 -104.33 10 1 CYS A 684 ? ? 90.35 104.36 # loop_ _pdbx_validate_chiral.id _pdbx_validate_chiral.PDB_model_num _pdbx_validate_chiral.auth_atom_id _pdbx_validate_chiral.label_alt_id _pdbx_validate_chiral.auth_asym_id _pdbx_validate_chiral.auth_comp_id _pdbx_validate_chiral.auth_seq_id _pdbx_validate_chiral.PDB_ins_code _pdbx_validate_chiral.details _pdbx_validate_chiral.omega 1 1 C1 ? A TRE 1151 ? PLANAR . 2 1 C2 ? A TRE 1151 ? PLANAR . 3 1 C3 ? A TRE 1151 ? PLANAR . 4 1 C4 ? A TRE 1151 ? PLANAR . 5 1 C5 ? A TRE 1151 ? PLANAR . 6 1 C1P ? A TRE 1151 ? PLANAR . 7 1 C2P ? A TRE 1151 ? PLANAR . 8 1 C3P ? A TRE 1151 ? PLANAR . 9 1 C4P ? A TRE 1151 ? PLANAR . 10 1 C5P ? A TRE 1151 ? PLANAR . # 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 BETA-D-MANNOSE BMA 4 ALPHA-D-MANNOSE MAN 5 'FE (III) ION' FE 6 'CARBONATE ION' CO3 7 'SULFATE ION' SO4 8 'ZINC ION' ZN 9 TREHALOSE TRE 10 water HOH #