data_3E9X # _entry.id 3E9X # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.281 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 3E9X RCSB RCSB049059 WWPDB D_1000049059 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 2DQV . unspecified PDB 2DXY . unspecified PDB 2O51 . unspecified PDB 2r9j . unspecified PDB 2px1 . unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 3E9X _pdbx_database_status.recvd_initial_deposition_date 2008-08-24 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site PDBJ _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_cs ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Mir, R.' 1 'Balaji, K.' 2 'Vikram, G.' 3 'Sinha, M.' 4 'Singh, N.' 5 'Bhushan, A.' 6 'Kaur, P.' 7 'Sharma, S.' 8 'Singh, T.P.' 9 # _citation.id primary _citation.title 'Crystal Structure of the Complex of C-lobe of Lactoferrin with Nimesulide at 2.7 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 'Balaji, K.' 2 primary 'Vikram, G.' 3 primary 'Sinha, M.' 4 primary 'Singh, N.' 5 primary 'Bhushan, A.' 6 primary 'Kaur, P.' 7 primary 'Sharma, S.' 8 primary 'Singh, T.P.' 9 # _cell.entry_id 3E9X _cell.length_a 63.570 _cell.length_b 50.350 _cell.length_c 65.960 _cell.angle_alpha 90.00 _cell.angle_beta 107.90 _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 3E9X _symmetry.space_group_name_H-M 'P 1 21 1' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 4 _symmetry.space_group_name_Hall ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer nat "Lactotransferrin'" 37655.504 1 3.4.21.- ? C-lobe ? 2 non-polymer syn 4-NITRO-2-PHENOXYMETHANESULFONANILIDE 308.310 1 ? ? ? ? 3 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 6 ? ? ? ? 4 non-polymer man ALPHA-D-MANNOSE 180.156 2 ? ? ? ? 5 non-polymer syn 'FE (III) ION' 55.845 1 ? ? ? ? 6 non-polymer syn 'CARBONATE ION' 60.009 1 ? ? ? ? 7 non-polymer syn 'ZINC ION' 65.409 2 ? ? ? ? 8 non-polymer syn 'SULFATE ION' 96.063 1 ? ? ? ? 9 water nat water 18.015 119 ? ? ? ? # _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 Bovine _entity_src_nat.pdbx_organism_scientific 'Bos taurus' _entity_src_nat.pdbx_ncbi_taxonomy_id 9913 _entity_src_nat.genus ? _entity_src_nat.species ? _entity_src_nat.strain ? _entity_src_nat.tissue ? _entity_src_nat.tissue_fraction ? _entity_src_nat.pdbx_secretion MILK _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 3E9X _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 3E9X LYS A 224 ? UNP P24627 ASN 584 'SEE REMARK 999' 565 1 1 3E9X GLU A 267 ? UNP P24627 LYS 627 'SEE REMARK 999' 608 2 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CO3 non-polymer . 'CARBONATE ION' ? 'C O3 -2' 60.009 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 FE non-polymer . 'FE (III) ION' ? 'Fe 3' 55.845 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 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 NIM non-polymer . 4-NITRO-2-PHENOXYMETHANESULFONANILIDE NIMESULIDE 'C13 H12 N2 O5 S' 308.310 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 SO4 non-polymer . 'SULFATE ION' ? 'O4 S -2' 96.063 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 ZN non-polymer . 'ZINC ION' ? 'Zn 2' 65.409 # _exptl.entry_id 3E9X _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.67 _exptl_crystal.density_percent_sol 53.89 _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 ZNSO4, 0.1M MES, 25% PEG, MONOETHYL ETHER 550, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K' _exptl_crystal_grow.pdbx_pH_range . # _diffrn.id 1 _diffrn.ambient_temp 300 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector 'IMAGE PLATE' _diffrn_detector.type MARRESEARCH _diffrn_detector.pdbx_collection_date 2008-06-18 _diffrn_detector.details MIRROR # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator Graphite _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.5418 _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 1.5418 # _reflns.entry_id 3E9X _reflns.observed_criterion_sigma_I 0.0 _reflns.observed_criterion_sigma_F 0.0 _reflns.d_resolution_low 20.0 _reflns.d_resolution_high 2.7 _reflns.number_obs 10361 _reflns.number_all 10929 _reflns.percent_possible_obs 93.5 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value 0.074 _reflns.pdbx_netI_over_sigmaI 8.4 _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 2.7 _reflns_shell.d_res_low 2.80 _reflns_shell.percent_possible_all 96.2 _reflns_shell.Rmerge_I_obs ? _reflns_shell.pdbx_Rsym_value 0.259 _reflns_shell.meanI_over_sigI_obs 1.7 _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 3E9X _refine.ls_number_reflns_obs 10361 _refine.ls_number_reflns_all 10929 _refine.pdbx_ls_sigma_I 0.0 _refine.pdbx_ls_sigma_F 0.0 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 20.0 _refine.ls_d_res_high 2.7 _refine.ls_percent_reflns_obs 93.5 _refine.ls_R_factor_obs 0.2056 _refine.ls_R_factor_all 0.2291 _refine.ls_R_factor_R_work 0.1972 _refine.ls_R_factor_R_free 0.2347 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free ? _refine.ls_number_reflns_R_free 568 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.B_iso_mean ? _refine.aniso_B[1][1] ? _refine.aniso_B[2][2] ? _refine.aniso_B[3][3] ? _refine.aniso_B[1][2] ? _refine.aniso_B[1][3] ? _refine.aniso_B[2][3] ? _refine.solvent_model_details ? _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details ? _refine.pdbx_starting_model 2DQV _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 ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML ? _refine.overall_SU_B ? _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_overall_phase_error ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 2604 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 139 _refine_hist.number_atoms_solvent 119 _refine_hist.number_atoms_total 2862 _refine_hist.d_res_high 2.7 _refine_hist.d_res_low 20.0 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function r_bond_refined_d 0.01 ? ? ? 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.8 ? ? ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 18.2 ? ? ? 'X-RAY DIFFRACTION' ? # _struct.entry_id 3E9X _struct.title 'Crystal Structure of the Complex of C-lobe of Lactoferrin with Nimesulide at 2.7 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 3E9X _struct_keywords.pdbx_keywords 'METAL BINDING PROTEIN' _struct_keywords.text ;COMPLEX, NIMESULIDE, C-LOBE, LACTOFERRIN, Antibiotic, Antimicrobial, Glycoprotein, Hydrolase, Ion transport, Iron, Iron transport, Metal-binding, Protease, Secreted, Serine protease, Transport, 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 3 ? D N N 3 ? E N N 3 ? F N N 3 ? G N N 4 ? H N N 3 ? I N N 3 ? J N N 4 ? K N N 5 ? L N N 6 ? M N N 7 ? N N N 7 ? O N N 8 ? P N N 9 ? # _struct_biol.id 1 _struct_biol.details ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 GLY A 10 ? SER A 24 ? GLY A 351 SER A 365 1 ? 15 HELX_P HELX_P2 2 THR A 35 ? LYS A 45 ? THR A 376 LYS A 386 1 ? 11 HELX_P HELX_P3 3 ASP A 54 ? LYS A 63 ? ASP A 395 LYS A 404 1 ? 10 HELX_P HELX_P4 4 THR A 106 ? LEU A 110 ? THR A 447 LEU A 451 5 ? 5 HELX_P HELX_P5 5 TRP A 126 ? GLY A 138 ? TRP A 467 GLY A 479 1 ? 13 HELX_P HELX_P6 6 SER A 158 ? ALA A 162 ? SER A 499 ALA A 503 5 ? 5 HELX_P HELX_P7 7 TYR A 183 ? GLU A 194 ? TYR A 524 GLU A 535 1 ? 12 HELX_P HELX_P8 8 ASN A 204 ? ASN A 210 ? ASN A 545 ASN A 551 1 ? 7 HELX_P HELX_P9 9 LYS A 224 ? GLU A 226 ? LYS A 565 GLU A 567 5 ? 3 HELX_P HELX_P10 10 GLU A 242 ? CYS A 246 ? GLU A 583 CYS A 587 5 ? 5 HELX_P HELX_P11 11 ARG A 262 ? GLY A 278 ? ARG A 603 GLY A 619 1 ? 17 HELX_P HELX_P12 12 THR A 315 ? GLY A 321 ? THR A 656 GLY A 662 1 ? 7 HELX_P HELX_P13 13 GLY A 321 ? SER A 335 ? GLY A 662 SER A 676 1 ? 15 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 7 SG ? ? ? 1_555 A CYS 39 SG ? ? A CYS 348 A CYS 380 1_555 ? ? ? ? ? ? ? 2.029 ? disulf2 disulf ? ? A CYS 17 SG ? ? ? 1_555 A CYS 30 SG ? ? A CYS 358 A CYS 371 1_555 ? ? ? ? ? ? ? 2.024 ? disulf3 disulf ? ? A CYS 64 SG ? ? ? 1_555 A CYS 343 SG ? ? A CYS 405 A CYS 684 1_555 ? ? ? ? ? ? ? 2.028 ? disulf4 disulf ? ? A CYS 84 SG ? ? ? 1_555 A CYS 306 SG ? ? A CYS 425 A CYS 647 1_555 ? ? ? ? ? ? ? 2.029 ? disulf5 disulf ? ? A CYS 116 SG ? ? ? 1_555 A CYS 191 SG ? ? A CYS 457 A CYS 532 1_555 ? ? ? ? ? ? ? 2.032 ? 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 ? ? ? ? ? ? ? 2.037 ? disulf8 disulf ? ? A CYS 161 SG ? ? ? 1_555 A CYS 174 SG ? ? A CYS 502 A CYS 515 1_555 ? ? ? ? ? ? ? 2.023 ? disulf9 disulf ? ? A CYS 232 SG ? ? ? 1_555 A CYS 246 SG ? ? A CYS 573 A CYS 587 1_555 ? ? ? ? ? ? ? 2.032 ? disulf10 disulf ? ? A CYS 284 SG ? ? ? 1_555 A CYS 289 SG ? ? A CYS 625 A CYS 630 1_555 ? ? ? ? ? ? ? 2.036 ? covale1 covale ? ? A ASN 27 ND2 ? ? ? 1_555 C NAG . C1 ? ? A ASN 368 A NAG 2 1_555 ? ? ? ? ? ? ? 1.438 ? metalc1 metalc ? ? A ASP 54 OD1 ? ? ? 1_555 K FE . FE ? ? A ASP 395 A FE 687 1_555 ? ? ? ? ? ? ? 2.056 ? metalc2 metalc ? ? A TYR 92 OH ? ? ? 1_555 K FE . FE ? ? A TYR 433 A FE 687 1_555 ? ? ? ? ? ? ? 2.063 ? covale2 covale ? ? A ASN 135 ND2 ? ? ? 1_555 E NAG . C1 ? ? A ASN 476 A NAG 4 1_555 ? ? ? ? ? ? ? 1.438 ? metalc3 metalc ? ? A TYR 185 OH ? ? ? 1_555 K FE . FE ? ? A TYR 526 A FE 687 1_555 ? ? ? ? ? ? ? 1.944 ? covale3 covale ? ? A ASN 204 ND2 ? ? ? 1_555 H NAG . C1 ? ? A ASN 545 A NAG 7 1_555 ? ? ? ? ? ? ? 1.441 ? metalc4 metalc ? ? A HIS 247 NE2 ? ? ? 1_555 N ZN . ZN ? ? A HIS 588 A ZN 690 1_555 ? ? ? ? ? ? ? 2.172 ? metalc5 metalc ? ? A HIS 254 NE2 ? ? ? 1_555 K FE . FE ? ? A HIS 595 A FE 687 1_555 ? ? ? ? ? ? ? 2.241 ? metalc6 metalc ? ? A GLU 318 OE2 ? ? ? 1_555 M ZN . ZN ? ? A GLU 659 A ZN 689 1_555 ? ? ? ? ? ? ? 2.390 ? covale4 covale ? ? C NAG . O4 ? ? ? 1_555 D NAG . C1 ? ? A NAG 2 A NAG 3 1_555 ? ? ? ? ? ? ? 1.442 ? covale5 covale ? ? E NAG . O4 ? ? ? 1_555 F NAG . C1 ? ? A NAG 4 A NAG 5 1_555 ? ? ? ? ? ? ? 1.433 ? covale6 covale ? ? F NAG . O4 ? ? ? 1_555 G MAN . C1 ? ? A NAG 5 A MAN 6 1_555 ? ? ? ? ? ? ? 1.438 ? covale7 covale ? ? H NAG . O4 ? ? ? 1_555 I NAG . C1 ? ? A NAG 7 A NAG 8 1_555 ? ? ? ? ? ? ? 1.443 ? covale8 covale ? ? I NAG . O4 ? ? ? 1_555 J MAN . C1 ? ? A NAG 8 A MAN 9 1_555 ? ? ? ? ? ? ? 1.442 ? metalc7 metalc ? ? K FE . FE ? ? ? 1_555 L CO3 . O2 ? ? A FE 687 A CO3 688 1_555 ? ? ? ? ? ? ? 2.319 ? metalc8 metalc ? ? K FE . FE ? ? ? 1_555 L CO3 . O1 ? ? A FE 687 A CO3 688 1_555 ? ? ? ? ? ? ? 2.264 ? # 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 2.76 # 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 LEU A 51 ? LEU A 53 ? LEU A 392 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 GLN A 148 ? CYS A 150 ? GLN A 489 CYS A 491 C 2 LYS A 114 ? HIS A 117 ? LYS A 455 HIS A 458 C 3 VAL A 199 ? LYS A 203 ? VAL A 540 LYS A 544 C 4 TYR A 92 ? LYS A 99 ? TYR A 433 LYS A 440 C 5 PHE A 228 ? LEU A 231 ? PHE A 569 LEU A 572 C 6 ARG A 237 ? LYS A 238 ? ARG A 578 LYS A 579 D 1 GLN A 148 ? CYS A 150 ? GLN A 489 CYS A 491 D 2 LYS A 114 ? HIS A 117 ? LYS A 455 HIS A 458 D 3 VAL A 199 ? LYS A 203 ? VAL A 540 LYS A 544 D 4 TYR A 92 ? LYS A 99 ? TYR A 433 LYS A 440 D 5 ALA A 249 ? ALA A 251 ? ALA A 590 ALA A 592 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 N ALA A 8 ? N ALA A 349 O ALA A 31 ? O ALA A 372 B 1 2 N LEU A 53 ? N LEU A 394 O ALA A 255 ? O ALA A 596 B 2 3 O VAL A 256 ? O VAL A 597 N LEU A 70 ? N LEU A 411 B 3 4 N ALA A 71 ? N ALA A 412 O ALA A 308 ? O ALA A 649 C 1 2 O CYS A 150 ? O CYS A 491 N HIS A 117 ? N HIS A 458 C 2 3 N CYS A 116 ? N CYS A 457 O PHE A 201 ? O PHE A 542 C 3 4 O ALA A 200 ? O ALA A 541 N VAL A 97 ? N VAL A 438 C 4 5 N ALA A 96 ? N ALA A 437 O LEU A 231 ? O LEU A 572 C 5 6 N LEU A 230 ? N LEU A 571 O LYS A 238 ? O LYS A 579 D 1 2 O CYS A 150 ? O CYS A 491 N HIS A 117 ? N HIS A 458 D 2 3 N CYS A 116 ? N CYS A 457 O PHE A 201 ? O PHE A 542 D 3 4 O ALA A 200 ? O ALA A 541 N VAL A 97 ? N VAL A 438 D 4 5 N TYR A 92 ? N TYR A 433 O ALA A 251 ? O ALA A 592 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NIM A 1' AC2 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG A 2' AC3 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE NAG A 3' AC4 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 4' AC5 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG A 5' AC6 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE MAN A 6' AC7 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE NAG A 7' AC8 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG A 8' AC9 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE MAN A 9' BC1 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE FE A 687' BC2 Software ? ? ? ? 9 'BINDING SITE FOR RESIDUE CO3 A 688' BC3 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE ZN A 689' BC4 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE ZN A 690' BC5 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE SO4 A 691' # 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 5 MAN G . ? MAN A 6 . ? 1_555 ? 2 AC1 5 GLU A 318 ? GLU A 659 . ? 1_555 ? 3 AC1 5 GLY A 321 ? GLY A 662 . ? 1_555 ? 4 AC1 5 THR A 322 ? THR A 663 . ? 1_555 ? 5 AC1 5 GLU A 323 ? GLU A 664 . ? 1_555 ? 6 AC2 6 NAG D . ? NAG A 3 . ? 1_555 ? 7 AC2 6 SER A 24 ? SER A 365 . ? 1_555 ? 8 AC2 6 ASN A 27 ? ASN A 368 . ? 1_555 ? 9 AC2 6 HIS A 272 ? HIS A 613 . ? 1_555 ? 10 AC2 6 GLN A 273 ? GLN A 614 . ? 1_555 ? 11 AC2 6 LEU A 276 ? LEU A 617 . ? 1_555 ? 12 AC3 1 NAG C . ? NAG A 2 . ? 1_555 ? 13 AC4 4 NAG F . ? NAG A 5 . ? 1_555 ? 14 AC4 4 LEU A 132 ? LEU A 473 . ? 1_555 ? 15 AC4 4 ASN A 135 ? ASN A 476 . ? 1_555 ? 16 AC4 4 ASN A 330 ? ASN A 671 . ? 1_555 ? 17 AC5 5 NAG E . ? NAG A 4 . ? 1_555 ? 18 AC5 5 MAN G . ? MAN A 6 . ? 1_555 ? 19 AC5 5 GLU A 323 ? GLU A 664 . ? 1_555 ? 20 AC5 5 THR A 326 ? THR A 667 . ? 1_555 ? 21 AC5 5 ASN A 330 ? ASN A 671 . ? 1_555 ? 22 AC6 2 NIM B . ? NIM A 1 . ? 1_555 ? 23 AC6 2 NAG F . ? NAG A 5 . ? 1_555 ? 24 AC7 8 NAG I . ? NAG A 8 . ? 1_555 ? 25 AC7 8 LEU A 93 ? LEU A 434 . ? 1_555 ? 26 AC7 8 ASN A 204 ? ASN A 545 . ? 1_555 ? 27 AC7 8 ASP A 205 ? ASP A 546 . ? 1_555 ? 28 AC7 8 TRP A 208 ? TRP A 549 . ? 1_555 ? 29 AC7 8 ALA A 243 ? ALA A 584 . ? 1_555 ? 30 AC7 8 GLN A 244 ? GLN A 585 . ? 1_555 ? 31 AC7 8 HOH P . ? HOH A 804 . ? 1_555 ? 32 AC8 3 NAG H . ? NAG A 7 . ? 1_555 ? 33 AC8 3 MAN J . ? MAN A 9 . ? 1_555 ? 34 AC8 3 TRP A 208 ? TRP A 549 . ? 1_555 ? 35 AC9 3 NAG I . ? NAG A 8 . ? 1_555 ? 36 AC9 3 LYS A 75 ? LYS A 416 . ? 1_555 ? 37 AC9 3 SER A 76 ? SER A 417 . ? 1_555 ? 38 BC1 5 ASP A 54 ? ASP A 395 . ? 1_555 ? 39 BC1 5 TYR A 92 ? TYR A 433 . ? 1_555 ? 40 BC1 5 TYR A 185 ? TYR A 526 . ? 1_555 ? 41 BC1 5 HIS A 254 ? HIS A 595 . ? 1_555 ? 42 BC1 5 CO3 L . ? CO3 A 688 . ? 1_555 ? 43 BC2 9 ASP A 54 ? ASP A 395 . ? 1_555 ? 44 BC2 9 TYR A 92 ? TYR A 433 . ? 1_555 ? 45 BC2 9 THR A 118 ? THR A 459 . ? 1_555 ? 46 BC2 9 ARG A 122 ? ARG A 463 . ? 1_555 ? 47 BC2 9 THR A 123 ? THR A 464 . ? 1_555 ? 48 BC2 9 ALA A 124 ? ALA A 465 . ? 1_555 ? 49 BC2 9 GLY A 125 ? GLY A 466 . ? 1_555 ? 50 BC2 9 TYR A 185 ? TYR A 526 . ? 1_555 ? 51 BC2 9 FE K . ? FE A 687 . ? 1_555 ? 52 BC3 1 GLU A 318 ? GLU A 659 . ? 1_555 ? 53 BC4 1 HIS A 247 ? HIS A 588 . ? 1_555 ? 54 BC5 4 LYS A 100 ? LYS A 441 . ? 1_555 ? 55 BC5 4 ARG A 229 ? ARG A 570 . ? 1_555 ? 56 BC5 4 ARG A 237 ? ARG A 578 . ? 1_555 ? 57 BC5 4 HOH P . ? HOH A 734 . ? 1_555 ? # _database_PDB_matrix.entry_id 3E9X _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 3E9X _atom_sites.fract_transf_matrix[1][1] 0.015731 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.005081 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.019861 _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] 0.015932 _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 ? 40.023 15.504 27.409 1.00 90.41 ? 342 TYR A N 1 ATOM 2 C CA . TYR A 1 1 ? 40.337 14.237 26.694 1.00 89.54 ? 342 TYR A CA 1 ATOM 3 C C . TYR A 1 1 ? 40.657 13.086 27.633 1.00 87.45 ? 342 TYR A C 1 ATOM 4 O O . TYR A 1 1 ? 41.766 12.970 28.164 1.00 87.30 ? 342 TYR A O 1 ATOM 5 C CB . TYR A 1 1 ? 41.510 14.436 25.714 1.00 92.31 ? 342 TYR A CB 1 ATOM 6 C CG . TYR A 1 1 ? 42.458 13.242 25.593 1.00 95.25 ? 342 TYR A CG 1 ATOM 7 C CD1 . TYR A 1 1 ? 42.022 12.012 25.087 1.00 95.46 ? 342 TYR A CD1 1 ATOM 8 C CD2 . TYR A 1 1 ? 43.790 13.342 26.016 1.00 96.71 ? 342 TYR A CD2 1 ATOM 9 C CE1 . TYR A 1 1 ? 42.894 10.913 25.008 1.00 96.85 ? 342 TYR A CE1 1 ATOM 10 C CE2 . TYR A 1 1 ? 44.665 12.253 25.940 1.00 97.40 ? 342 TYR A CE2 1 ATOM 11 C CZ . TYR A 1 1 ? 44.212 11.045 25.437 1.00 97.41 ? 342 TYR A CZ 1 ATOM 12 O OH . TYR A 1 1 ? 45.080 9.976 25.366 1.00 98.27 ? 342 TYR A OH 1 ATOM 13 N N . THR A 1 2 ? 39.658 12.255 27.866 1.00 83.46 ? 343 THR A N 1 ATOM 14 C CA . THR A 1 2 ? 39.854 11.068 28.668 1.00 79.68 ? 343 THR A CA 1 ATOM 15 C C . THR A 1 2 ? 39.235 10.042 27.730 1.00 76.76 ? 343 THR A C 1 ATOM 16 O O . THR A 1 2 ? 38.683 10.414 26.691 1.00 75.59 ? 343 THR A O 1 ATOM 17 C CB . THR A 1 2 ? 39.140 11.147 30.068 1.00 78.85 ? 343 THR A CB 1 ATOM 18 O OG1 . THR A 1 2 ? 39.379 9.934 30.792 1.00 78.45 ? 343 THR A OG1 1 ATOM 19 C CG2 . THR A 1 2 ? 37.653 11.358 29.938 1.00 77.30 ? 343 THR A CG2 1 ATOM 20 N N . ARG A 1 3 ? 39.356 8.762 28.041 1.00 72.88 ? 344 ARG A N 1 ATOM 21 C CA . ARG A 1 3 ? 38.777 7.766 27.162 1.00 68.12 ? 344 ARG A CA 1 ATOM 22 C C . ARG A 1 3 ? 37.260 7.795 27.286 1.00 62.40 ? 344 ARG A C 1 ATOM 23 O O . ARG A 1 3 ? 36.710 8.245 28.296 1.00 63.42 ? 344 ARG A O 1 ATOM 24 C CB . ARG A 1 3 ? 39.263 6.364 27.529 1.00 71.44 ? 344 ARG A CB 1 ATOM 25 C CG . ARG A 1 3 ? 40.765 6.180 27.620 1.00 76.02 ? 344 ARG A CG 1 ATOM 26 C CD . ARG A 1 3 ? 41.033 4.796 28.194 1.00 79.87 ? 344 ARG A CD 1 ATOM 27 N NE . ARG A 1 3 ? 40.184 4.569 29.364 1.00 83.36 ? 344 ARG A NE 1 ATOM 28 C CZ . ARG A 1 3 ? 39.876 3.374 29.858 1.00 85.02 ? 344 ARG A CZ 1 ATOM 29 N NH1 . ARG A 1 3 ? 40.346 2.272 29.291 1.00 86.29 ? 344 ARG A NH1 1 ATOM 30 N NH2 . ARG A 1 3 ? 39.082 3.280 30.917 1.00 85.63 ? 344 ARG A NH2 1 ATOM 31 N N . VAL A 1 4 ? 36.592 7.326 26.241 1.00 54.10 ? 345 VAL A N 1 ATOM 32 C CA . VAL A 1 4 ? 35.149 7.226 26.243 1.00 45.44 ? 345 VAL A CA 1 ATOM 33 C C . VAL A 1 4 ? 34.896 5.727 26.238 1.00 41.80 ? 345 VAL A C 1 ATOM 34 O O . VAL A 1 4 ? 35.503 4.988 25.458 1.00 40.90 ? 345 VAL A O 1 ATOM 35 C CB . VAL A 1 4 ? 34.524 7.884 24.993 1.00 43.92 ? 345 VAL A CB 1 ATOM 36 C CG1 . VAL A 1 4 ? 33.133 7.330 24.738 1.00 41.23 ? 345 VAL A CG1 1 ATOM 37 C CG2 . VAL A 1 4 ? 34.439 9.385 25.200 1.00 44.27 ? 345 VAL A CG2 1 ATOM 38 N N . VAL A 1 5 ? 34.042 5.272 27.145 1.00 36.82 ? 346 VAL A N 1 ATOM 39 C CA . VAL A 1 5 ? 33.712 3.866 27.209 1.00 32.86 ? 346 VAL A CA 1 ATOM 40 C C . VAL A 1 5 ? 32.367 3.691 26.537 1.00 31.02 ? 346 VAL A C 1 ATOM 41 O O . VAL A 1 5 ? 31.343 4.151 27.045 1.00 31.04 ? 346 VAL A O 1 ATOM 42 C CB . VAL A 1 5 ? 33.633 3.377 28.653 1.00 32.13 ? 346 VAL A CB 1 ATOM 43 C CG1 . VAL A 1 5 ? 33.331 1.880 28.690 1.00 29.66 ? 346 VAL A CG1 1 ATOM 44 C CG2 . VAL A 1 5 ? 34.935 3.676 29.340 1.00 29.58 ? 346 VAL A CG2 1 ATOM 45 N N . TRP A 1 6 ? 32.390 3.050 25.374 1.00 28.54 ? 347 TRP A N 1 ATOM 46 C CA . TRP A 1 6 ? 31.188 2.794 24.603 1.00 27.55 ? 347 TRP A CA 1 ATOM 47 C C . TRP A 1 6 ? 30.509 1.539 25.135 1.00 27.62 ? 347 TRP A C 1 ATOM 48 O O . TRP A 1 6 ? 31.177 0.630 25.625 1.00 31.52 ? 347 TRP A O 1 ATOM 49 C CB . TRP A 1 6 ? 31.556 2.597 23.132 1.00 26.90 ? 347 TRP A CB 1 ATOM 50 C CG . TRP A 1 6 ? 30.424 2.897 22.222 1.00 27.85 ? 347 TRP A CG 1 ATOM 51 C CD1 . TRP A 1 6 ? 29.477 2.025 21.769 1.00 26.46 ? 347 TRP A CD1 1 ATOM 52 C CD2 . TRP A 1 6 ? 30.038 4.192 21.750 1.00 27.61 ? 347 TRP A CD2 1 ATOM 53 N NE1 . TRP A 1 6 ? 28.522 2.699 21.051 1.00 27.16 ? 347 TRP A NE1 1 ATOM 54 C CE2 . TRP A 1 6 ? 28.843 4.031 21.022 1.00 26.83 ? 347 TRP A CE2 1 ATOM 55 C CE3 . TRP A 1 6 ? 30.587 5.476 21.878 1.00 28.17 ? 347 TRP A CE3 1 ATOM 56 C CZ2 . TRP A 1 6 ? 28.180 5.106 20.420 1.00 29.06 ? 347 TRP A CZ2 1 ATOM 57 C CZ3 . TRP A 1 6 ? 29.928 6.548 21.280 1.00 30.44 ? 347 TRP A CZ3 1 ATOM 58 C CH2 . TRP A 1 6 ? 28.736 6.354 20.558 1.00 29.12 ? 347 TRP A CH2 1 ATOM 59 N N . CYS A 1 7 ? 29.187 1.481 25.071 1.00 26.19 ? 348 CYS A N 1 ATOM 60 C CA . CYS A 1 7 ? 28.520 0.282 25.543 1.00 27.12 ? 348 CYS A CA 1 ATOM 61 C C . CYS A 1 7 ? 28.001 -0.544 24.365 1.00 28.63 ? 348 CYS A C 1 ATOM 62 O O . CYS A 1 7 ? 27.165 -0.083 23.580 1.00 28.30 ? 348 CYS A O 1 ATOM 63 C CB . CYS A 1 7 ? 27.368 0.623 26.477 1.00 27.28 ? 348 CYS A CB 1 ATOM 64 S SG . CYS A 1 7 ? 26.870 -0.813 27.481 1.00 28.87 ? 348 CYS A SG 1 ATOM 65 N N . ALA A 1 8 ? 28.516 -1.766 24.248 1.00 27.96 ? 349 ALA A N 1 ATOM 66 C CA . ALA A 1 8 ? 28.124 -2.674 23.179 1.00 27.31 ? 349 ALA A CA 1 ATOM 67 C C . ALA A 1 8 ? 27.064 -3.650 23.662 1.00 27.32 ? 349 ALA A C 1 ATOM 68 O O . ALA A 1 8 ? 27.144 -4.159 24.785 1.00 26.43 ? 349 ALA A O 1 ATOM 69 C CB . ALA A 1 8 ? 29.329 -3.433 22.679 1.00 27.33 ? 349 ALA A CB 1 ATOM 70 N N . VAL A 1 9 ? 26.073 -3.900 22.806 1.00 26.06 ? 350 VAL A N 1 ATOM 71 C CA . VAL A 1 9 ? 24.986 -4.816 23.128 1.00 26.34 ? 350 VAL A CA 1 ATOM 72 C C . VAL A 1 9 ? 25.148 -6.144 22.410 1.00 27.63 ? 350 VAL A C 1 ATOM 73 O O . VAL A 1 9 ? 24.857 -6.246 21.221 1.00 27.94 ? 350 VAL A O 1 ATOM 74 C CB . VAL A 1 9 ? 23.625 -4.234 22.727 1.00 25.98 ? 350 VAL A CB 1 ATOM 75 C CG1 . VAL A 1 9 ? 22.498 -5.200 23.109 1.00 20.76 ? 350 VAL A CG1 1 ATOM 76 C CG2 . VAL A 1 9 ? 23.441 -2.882 23.381 1.00 23.66 ? 350 VAL A CG2 1 ATOM 77 N N . GLY A 1 10 ? 25.612 -7.161 23.133 1.00 27.88 ? 351 GLY A N 1 ATOM 78 C CA . GLY A 1 10 ? 25.774 -8.468 22.524 1.00 30.12 ? 351 GLY A CA 1 ATOM 79 C C . GLY A 1 10 ? 27.182 -8.743 22.055 1.00 31.34 ? 351 GLY A C 1 ATOM 80 O O . GLY A 1 10 ? 27.997 -7.829 21.957 1.00 34.09 ? 351 GLY A O 1 ATOM 81 N N . PRO A 1 11 ? 27.496 -10.006 21.745 1.00 31.51 ? 352 PRO A N 1 ATOM 82 C CA . PRO A 1 11 ? 28.808 -10.472 21.276 1.00 30.29 ? 352 PRO A CA 1 ATOM 83 C C . PRO A 1 11 ? 29.332 -9.843 19.978 1.00 30.01 ? 352 PRO A C 1 ATOM 84 O O . PRO A 1 11 ? 30.528 -9.584 19.845 1.00 27.68 ? 352 PRO A O 1 ATOM 85 C CB . PRO A 1 11 ? 28.593 -11.973 21.109 1.00 29.71 ? 352 PRO A CB 1 ATOM 86 C CG . PRO A 1 11 ? 27.541 -12.280 22.114 1.00 31.99 ? 352 PRO A CG 1 ATOM 87 C CD . PRO A 1 11 ? 26.580 -11.143 21.924 1.00 31.98 ? 352 PRO A CD 1 ATOM 88 N N . GLU A 1 12 ? 28.440 -9.609 19.020 1.00 30.98 ? 353 GLU A N 1 ATOM 89 C CA . GLU A 1 12 ? 28.855 -9.059 17.738 1.00 32.40 ? 353 GLU A CA 1 ATOM 90 C C . GLU A 1 12 ? 29.211 -7.591 17.819 1.00 31.26 ? 353 GLU A C 1 ATOM 91 O O . GLU A 1 12 ? 30.119 -7.130 17.127 1.00 31.19 ? 353 GLU A O 1 ATOM 92 C CB . GLU A 1 12 ? 27.758 -9.250 16.693 1.00 36.96 ? 353 GLU A CB 1 ATOM 93 C CG . GLU A 1 12 ? 27.305 -10.682 16.500 1.00 41.04 ? 353 GLU A CG 1 ATOM 94 C CD . GLU A 1 12 ? 26.342 -10.826 15.336 1.00 45.13 ? 353 GLU A CD 1 ATOM 95 O OE1 . GLU A 1 12 ? 25.304 -10.125 15.320 1.00 45.77 ? 353 GLU A OE1 1 ATOM 96 O OE2 . GLU A 1 12 ? 26.624 -11.645 14.435 1.00 47.36 ? 353 GLU A OE2 1 ATOM 97 N N . GLU A 1 13 ? 28.487 -6.854 18.651 1.00 29.42 ? 354 GLU A N 1 ATOM 98 C CA . GLU A 1 13 ? 28.761 -5.438 18.795 1.00 30.37 ? 354 GLU A CA 1 ATOM 99 C C . GLU A 1 13 ? 30.006 -5.219 19.623 1.00 31.96 ? 354 GLU A C 1 ATOM 100 O O . GLU A 1 13 ? 30.708 -4.226 19.447 1.00 32.21 ? 354 GLU A O 1 ATOM 101 C CB . GLU A 1 13 ? 27.577 -4.715 19.427 1.00 30.29 ? 354 GLU A CB 1 ATOM 102 C CG . GLU A 1 13 ? 26.539 -4.272 18.420 1.00 28.15 ? 354 GLU A CG 1 ATOM 103 C CD . GLU A 1 13 ? 25.598 -3.232 18.986 1.00 28.37 ? 354 GLU A CD 1 ATOM 104 O OE1 . GLU A 1 13 ? 25.807 -2.793 20.143 1.00 27.14 ? 354 GLU A OE1 1 ATOM 105 O OE2 . GLU A 1 13 ? 24.652 -2.850 18.268 1.00 27.72 ? 354 GLU A OE2 1 ATOM 106 N N . GLN A 1 14 ? 30.287 -6.145 20.530 1.00 34.03 ? 355 GLN A N 1 ATOM 107 C CA . GLN A 1 14 ? 31.480 -6.016 21.339 1.00 35.50 ? 355 GLN A CA 1 ATOM 108 C C . GLN A 1 14 ? 32.690 -6.330 20.473 1.00 34.74 ? 355 GLN A C 1 ATOM 109 O O . GLN A 1 14 ? 33.765 -5.784 20.669 1.00 34.88 ? 355 GLN A O 1 ATOM 110 C CB . GLN A 1 14 ? 31.417 -6.953 22.540 1.00 38.74 ? 355 GLN A CB 1 ATOM 111 C CG . GLN A 1 14 ? 32.405 -8.096 22.519 1.00 46.56 ? 355 GLN A CG 1 ATOM 112 C CD . GLN A 1 14 ? 32.911 -8.431 23.911 1.00 50.45 ? 355 GLN A CD 1 ATOM 113 O OE1 . GLN A 1 14 ? 33.701 -7.681 24.488 1.00 53.66 ? 355 GLN A OE1 1 ATOM 114 N NE2 . GLN A 1 14 ? 32.447 -9.551 24.463 1.00 50.56 ? 355 GLN A NE2 1 ATOM 115 N N . LYS A 1 15 ? 32.511 -7.206 19.496 1.00 34.85 ? 356 LYS A N 1 ATOM 116 C CA . LYS A 1 15 ? 33.609 -7.554 18.616 1.00 34.17 ? 356 LYS A CA 1 ATOM 117 C C . LYS A 1 15 ? 33.964 -6.323 17.787 1.00 32.19 ? 356 LYS A C 1 ATOM 118 O O . LYS A 1 15 ? 35.120 -5.919 17.727 1.00 33.13 ? 356 LYS A O 1 ATOM 119 C CB . LYS A 1 15 ? 33.218 -8.730 17.716 1.00 36.29 ? 356 LYS A CB 1 ATOM 120 C CG . LYS A 1 15 ? 34.370 -9.304 16.909 1.00 40.37 ? 356 LYS A CG 1 ATOM 121 C CD . LYS A 1 15 ? 33.853 -10.283 15.861 1.00 45.22 ? 356 LYS A CD 1 ATOM 122 C CE . LYS A 1 15 ? 34.908 -10.576 14.799 1.00 47.70 ? 356 LYS A CE 1 ATOM 123 N NZ . LYS A 1 15 ? 34.271 -10.865 13.479 1.00 48.78 ? 356 LYS A NZ 1 ATOM 124 N N . LYS A 1 16 ? 32.966 -5.716 17.157 1.00 31.09 ? 357 LYS A N 1 ATOM 125 C CA . LYS A 1 16 ? 33.209 -4.528 16.352 1.00 29.44 ? 357 LYS A CA 1 ATOM 126 C C . LYS A 1 16 ? 33.760 -3.400 17.216 1.00 29.35 ? 357 LYS A C 1 ATOM 127 O O . LYS A 1 16 ? 34.585 -2.615 16.772 1.00 27.67 ? 357 LYS A O 1 ATOM 128 C CB . LYS A 1 16 ? 31.914 -4.067 15.672 1.00 27.05 ? 357 LYS A CB 1 ATOM 129 C CG . LYS A 1 16 ? 32.062 -2.766 14.897 1.00 24.56 ? 357 LYS A CG 1 ATOM 130 C CD . LYS A 1 16 ? 30.793 -2.376 14.163 1.00 23.42 ? 357 LYS A CD 1 ATOM 131 C CE . LYS A 1 16 ? 30.985 -1.056 13.425 1.00 23.08 ? 357 LYS A CE 1 ATOM 132 N NZ . LYS A 1 16 ? 29.840 -0.669 12.548 1.00 22.94 ? 357 LYS A NZ 1 ATOM 133 N N . CYS A 1 17 ? 33.311 -3.328 18.461 1.00 31.39 ? 358 CYS A N 1 ATOM 134 C CA . CYS A 1 17 ? 33.764 -2.271 19.344 1.00 31.85 ? 358 CYS A CA 1 ATOM 135 C C . CYS A 1 17 ? 35.235 -2.400 19.694 1.00 33.00 ? 358 CYS A C 1 ATOM 136 O O . CYS A 1 17 ? 35.952 -1.401 19.729 1.00 31.47 ? 358 CYS A O 1 ATOM 137 C CB . CYS A 1 17 ? 32.930 -2.235 20.630 1.00 33.23 ? 358 CYS A CB 1 ATOM 138 S SG . CYS A 1 17 ? 33.322 -0.769 21.644 1.00 33.86 ? 358 CYS A SG 1 ATOM 139 N N . GLN A 1 18 ? 35.682 -3.624 19.955 1.00 35.56 ? 359 GLN A N 1 ATOM 140 C CA . GLN A 1 18 ? 37.076 -3.864 20.307 1.00 38.70 ? 359 GLN A CA 1 ATOM 141 C C . GLN A 1 18 ? 37.989 -3.493 19.161 1.00 40.00 ? 359 GLN A C 1 ATOM 142 O O . GLN A 1 18 ? 39.124 -3.072 19.380 1.00 40.83 ? 359 GLN A O 1 ATOM 143 C CB . GLN A 1 18 ? 37.295 -5.322 20.683 1.00 41.39 ? 359 GLN A CB 1 ATOM 144 C CG . GLN A 1 18 ? 36.608 -5.719 21.969 1.00 48.93 ? 359 GLN A CG 1 ATOM 145 C CD . GLN A 1 18 ? 36.775 -7.187 22.286 1.00 53.24 ? 359 GLN A CD 1 ATOM 146 O OE1 . GLN A 1 18 ? 36.618 -8.045 21.413 1.00 56.76 ? 359 GLN A OE1 1 ATOM 147 N NE2 . GLN A 1 18 ? 37.082 -7.490 23.543 1.00 56.23 ? 359 GLN A NE2 1 ATOM 148 N N . GLN A 1 19 ? 37.509 -3.669 17.936 1.00 40.56 ? 360 GLN A N 1 ATOM 149 C CA . GLN A 1 19 ? 38.304 -3.303 16.773 1.00 42.55 ? 360 GLN A CA 1 ATOM 150 C C . GLN A 1 19 ? 38.447 -1.787 16.776 1.00 41.42 ? 360 GLN A C 1 ATOM 151 O O . GLN A 1 19 ? 39.528 -1.248 16.564 1.00 41.28 ? 360 GLN A O 1 ATOM 152 C CB . GLN A 1 19 ? 37.602 -3.707 15.486 1.00 46.62 ? 360 GLN A CB 1 ATOM 153 C CG . GLN A 1 19 ? 37.835 -5.113 15.020 1.00 53.50 ? 360 GLN A CG 1 ATOM 154 C CD . GLN A 1 19 ? 37.485 -5.252 13.556 1.00 59.20 ? 360 GLN A CD 1 ATOM 155 O OE1 . GLN A 1 19 ? 37.913 -4.436 12.730 1.00 62.67 ? 360 GLN A OE1 1 ATOM 156 N NE2 . GLN A 1 19 ? 36.706 -6.277 13.218 1.00 61.92 ? 360 GLN A NE2 1 ATOM 157 N N . TRP A 1 20 ? 37.326 -1.109 17.004 1.00 40.07 ? 361 TRP A N 1 ATOM 158 C CA . TRP A 1 20 ? 37.275 0.343 17.043 1.00 37.90 ? 361 TRP A CA 1 ATOM 159 C C . TRP A 1 20 ? 38.189 0.865 18.138 1.00 38.40 ? 361 TRP A C 1 ATOM 160 O O . TRP A 1 20 ? 38.858 1.878 17.959 1.00 39.29 ? 361 TRP A O 1 ATOM 161 C CB . TRP A 1 20 ? 35.837 0.797 17.291 1.00 35.92 ? 361 TRP A CB 1 ATOM 162 C CG . TRP A 1 20 ? 35.647 2.278 17.330 1.00 34.51 ? 361 TRP A CG 1 ATOM 163 C CD1 . TRP A 1 20 ? 36.479 3.231 16.812 1.00 35.56 ? 361 TRP A CD1 1 ATOM 164 C CD2 . TRP A 1 20 ? 34.535 2.981 17.897 1.00 34.01 ? 361 TRP A CD2 1 ATOM 165 N NE1 . TRP A 1 20 ? 35.955 4.484 17.021 1.00 36.77 ? 361 TRP A NE1 1 ATOM 166 C CE2 . TRP A 1 20 ? 34.760 4.361 17.683 1.00 35.52 ? 361 TRP A CE2 1 ATOM 167 C CE3 . TRP A 1 20 ? 33.366 2.579 18.560 1.00 32.34 ? 361 TRP A CE3 1 ATOM 168 C CZ2 . TRP A 1 20 ? 33.863 5.345 18.119 1.00 35.34 ? 361 TRP A CZ2 1 ATOM 169 C CZ3 . TRP A 1 20 ? 32.474 3.554 18.993 1.00 35.68 ? 361 TRP A CZ3 1 ATOM 170 C CH2 . TRP A 1 20 ? 32.728 4.927 18.767 1.00 36.19 ? 361 TRP A CH2 1 ATOM 171 N N . SER A 1 21 ? 38.207 0.178 19.274 1.00 38.22 ? 362 SER A N 1 ATOM 172 C CA . SER A 1 21 ? 39.067 0.561 20.389 1.00 39.68 ? 362 SER A CA 1 ATOM 173 C C . SER A 1 21 ? 40.524 0.423 19.929 1.00 41.77 ? 362 SER A C 1 ATOM 174 O O . SER A 1 21 ? 41.342 1.330 20.093 1.00 42.62 ? 362 SER A O 1 ATOM 175 C CB . SER A 1 21 ? 38.803 -0.363 21.579 1.00 38.46 ? 362 SER A CB 1 ATOM 176 O OG . SER A 1 21 ? 39.621 -0.035 22.680 1.00 38.23 ? 362 SER A OG 1 ATOM 177 N N . GLN A 1 22 ? 40.821 -0.729 19.338 1.00 43.33 ? 363 GLN A N 1 ATOM 178 C CA . GLN A 1 22 ? 42.139 -1.062 18.815 1.00 44.15 ? 363 GLN A CA 1 ATOM 179 C C . GLN A 1 22 ? 42.680 0.058 17.928 1.00 42.89 ? 363 GLN A C 1 ATOM 180 O O . GLN A 1 22 ? 43.777 0.552 18.147 1.00 42.18 ? 363 GLN A O 1 ATOM 181 C CB . GLN A 1 22 ? 42.022 -2.351 18.001 1.00 49.39 ? 363 GLN A CB 1 ATOM 182 C CG . GLN A 1 22 ? 43.165 -3.340 18.119 1.00 55.45 ? 363 GLN A CG 1 ATOM 183 C CD . GLN A 1 22 ? 42.645 -4.776 18.150 1.00 59.84 ? 363 GLN A CD 1 ATOM 184 O OE1 . GLN A 1 22 ? 41.873 -5.146 19.043 1.00 61.57 ? 363 GLN A OE1 1 ATOM 185 N NE2 . GLN A 1 22 ? 43.056 -5.584 17.174 1.00 61.84 ? 363 GLN A NE2 1 ATOM 186 N N . GLN A 1 23 ? 41.891 0.449 16.931 1.00 43.28 ? 364 GLN A N 1 ATOM 187 C CA . GLN A 1 23 ? 42.257 1.492 15.967 1.00 43.85 ? 364 GLN A CA 1 ATOM 188 C C . GLN A 1 23 ? 42.272 2.924 16.495 1.00 43.56 ? 364 GLN A C 1 ATOM 189 O O . GLN A 1 23 ? 42.862 3.807 15.872 1.00 43.50 ? 364 GLN A O 1 ATOM 190 C CB . GLN A 1 23 ? 41.311 1.443 14.759 1.00 45.11 ? 364 GLN A CB 1 ATOM 191 C CG . GLN A 1 23 ? 41.431 0.203 13.910 1.00 48.76 ? 364 GLN A CG 1 ATOM 192 C CD . GLN A 1 23 ? 42.792 0.088 13.263 1.00 52.09 ? 364 GLN A CD 1 ATOM 193 O OE1 . GLN A 1 23 ? 43.254 1.017 12.600 1.00 55.57 ? 364 GLN A OE1 1 ATOM 194 N NE2 . GLN A 1 23 ? 43.444 -1.052 13.449 1.00 53.51 ? 364 GLN A NE2 1 ATOM 195 N N . SER A 1 24 ? 41.619 3.156 17.628 1.00 43.12 ? 365 SER A N 1 ATOM 196 C CA . SER A 1 24 ? 41.546 4.492 18.207 1.00 43.23 ? 365 SER A CA 1 ATOM 197 C C . SER A 1 24 ? 42.665 4.774 19.200 1.00 44.86 ? 365 SER A C 1 ATOM 198 O O . SER A 1 24 ? 42.744 5.874 19.756 1.00 44.76 ? 365 SER A O 1 ATOM 199 C CB . SER A 1 24 ? 40.199 4.688 18.907 1.00 42.65 ? 365 SER A CB 1 ATOM 200 O OG . SER A 1 24 ? 40.093 3.869 20.062 1.00 40.80 ? 365 SER A OG 1 ATOM 201 N N . GLY A 1 25 ? 43.528 3.786 19.421 1.00 46.49 ? 366 GLY A N 1 ATOM 202 C CA . GLY A 1 25 ? 44.617 3.964 20.364 1.00 48.39 ? 366 GLY A CA 1 ATOM 203 C C . GLY A 1 25 ? 44.034 4.017 21.759 1.00 49.50 ? 366 GLY A C 1 ATOM 204 O O . GLY A 1 25 ? 44.520 4.732 22.641 1.00 50.02 ? 366 GLY A O 1 ATOM 205 N N . GLN A 1 26 ? 42.966 3.249 21.942 1.00 50.72 ? 367 GLN A N 1 ATOM 206 C CA . GLN A 1 26 ? 42.261 3.178 23.208 1.00 51.31 ? 367 GLN A CA 1 ATOM 207 C C . GLN A 1 26 ? 41.668 4.517 23.600 1.00 50.51 ? 367 GLN A C 1 ATOM 208 O O . GLN A 1 26 ? 41.440 4.784 24.779 1.00 49.73 ? 367 GLN A O 1 ATOM 209 C CB . GLN A 1 26 ? 43.201 2.687 24.307 1.00 53.17 ? 367 GLN A CB 1 ATOM 210 C CG . GLN A 1 26 ? 43.807 1.317 24.051 1.00 56.46 ? 367 GLN A CG 1 ATOM 211 C CD . GLN A 1 26 ? 42.989 0.188 24.642 1.00 59.31 ? 367 GLN A CD 1 ATOM 212 O OE1 . GLN A 1 26 ? 42.143 -0.413 23.972 1.00 61.95 ? 367 GLN A OE1 1 ATOM 213 N NE2 . GLN A 1 26 ? 43.232 -0.102 25.918 1.00 60.40 ? 367 GLN A NE2 1 ATOM 214 N N . ASN A 1 27 ? 41.441 5.381 22.621 1.00 50.10 ? 368 ASN A N 1 ATOM 215 C CA . ASN A 1 27 ? 40.827 6.667 22.922 1.00 49.41 ? 368 ASN A CA 1 ATOM 216 C C . ASN A 1 27 ? 39.365 6.362 23.210 1.00 46.46 ? 368 ASN A C 1 ATOM 217 O O . ASN A 1 27 ? 38.680 7.129 23.880 1.00 45.00 ? 368 ASN A O 1 ATOM 218 C CB . ASN A 1 27 ? 40.904 7.597 21.739 1.00 53.96 ? 368 ASN A CB 1 ATOM 219 C CG . ASN A 1 27 ? 42.095 8.532 21.805 1.00 60.98 ? 368 ASN A CG 1 ATOM 220 O OD1 . ASN A 1 27 ? 42.856 8.572 22.793 1.00 60.77 ? 368 ASN A OD1 1 ATOM 221 N ND2 . ASN A 1 27 ? 42.241 9.295 20.735 1.00 66.15 ? 368 ASN A ND2 1 ATOM 222 N N . VAL A 1 28 ? 38.903 5.235 22.667 1.00 43.73 ? 369 VAL A N 1 ATOM 223 C CA . VAL A 1 28 ? 37.558 4.732 22.888 1.00 40.20 ? 369 VAL A CA 1 ATOM 224 C C . VAL A 1 28 ? 37.761 3.288 23.306 1.00 38.76 ? 369 VAL A C 1 ATOM 225 O O . VAL A 1 28 ? 38.506 2.544 22.666 1.00 37.84 ? 369 VAL A O 1 ATOM 226 C CB . VAL A 1 28 ? 36.670 4.737 21.626 1.00 39.78 ? 369 VAL A CB 1 ATOM 227 C CG1 . VAL A 1 28 ? 35.399 3.945 21.909 1.00 35.62 ? 369 VAL A CG1 1 ATOM 228 C CG2 . VAL A 1 28 ? 36.314 6.168 21.221 1.00 39.73 ? 369 VAL A CG2 1 ATOM 229 N N . THR A 1 29 ? 37.108 2.894 24.387 1.00 37.49 ? 370 THR A N 1 ATOM 230 C CA . THR A 1 29 ? 37.231 1.534 24.874 1.00 36.94 ? 370 THR A CA 1 ATOM 231 C C . THR A 1 29 ? 35.810 0.997 25.103 1.00 36.00 ? 370 THR A C 1 ATOM 232 O O . THR A 1 29 ? 34.854 1.766 25.103 1.00 35.32 ? 370 THR A O 1 ATOM 233 C CB . THR A 1 29 ? 38.137 1.520 26.135 1.00 36.29 ? 370 THR A CB 1 ATOM 234 O OG1 . THR A 1 29 ? 38.118 0.227 26.741 1.00 42.99 ? 370 THR A OG1 1 ATOM 235 C CG2 . THR A 1 29 ? 37.688 2.547 27.116 1.00 36.90 ? 370 THR A CG2 1 ATOM 236 N N . CYS A 1 30 ? 35.657 -0.309 25.295 1.00 37.01 ? 371 CYS A N 1 ATOM 237 C CA . CYS A 1 30 ? 34.315 -0.892 25.414 1.00 36.70 ? 371 CYS A CA 1 ATOM 238 C C . CYS A 1 30 ? 33.842 -1.524 26.714 1.00 36.19 ? 371 CYS A C 1 ATOM 239 O O . CYS A 1 30 ? 34.633 -1.919 27.572 1.00 38.18 ? 371 CYS A O 1 ATOM 240 C CB . CYS A 1 30 ? 34.142 -1.938 24.308 1.00 36.92 ? 371 CYS A CB 1 ATOM 241 S SG . CYS A 1 30 ? 34.894 -1.407 22.747 1.00 38.25 ? 371 CYS A SG 1 ATOM 242 N N . ALA A 1 31 ? 32.523 -1.622 26.826 1.00 34.29 ? 372 ALA A N 1 ATOM 243 C CA . ALA A 1 31 ? 31.852 -2.249 27.959 1.00 33.58 ? 372 ALA A CA 1 ATOM 244 C C . ALA A 1 31 ? 30.799 -3.105 27.258 1.00 33.64 ? 372 ALA A C 1 ATOM 245 O O . ALA A 1 31 ? 30.398 -2.775 26.143 1.00 35.56 ? 372 ALA A O 1 ATOM 246 C CB . ALA A 1 31 ? 31.189 -1.195 28.843 1.00 31.77 ? 372 ALA A CB 1 ATOM 247 N N . THR A 1 32 ? 30.348 -4.191 27.876 1.00 32.16 ? 373 THR A N 1 ATOM 248 C CA . THR A 1 32 ? 29.357 -5.028 27.215 1.00 30.93 ? 373 THR A CA 1 ATOM 249 C C . THR A 1 32 ? 28.185 -5.422 28.109 1.00 30.96 ? 373 THR A C 1 ATOM 250 O O . THR A 1 32 ? 28.330 -5.536 29.329 1.00 31.95 ? 373 THR A O 1 ATOM 251 C CB . THR A 1 32 ? 30.013 -6.309 26.650 1.00 31.77 ? 373 THR A CB 1 ATOM 252 O OG1 . THR A 1 32 ? 31.212 -5.956 25.948 1.00 32.68 ? 373 THR A OG1 1 ATOM 253 C CG2 . THR A 1 32 ? 29.070 -7.017 25.671 1.00 32.30 ? 373 THR A CG2 1 ATOM 254 N N . ALA A 1 33 ? 27.021 -5.600 27.484 1.00 30.02 ? 374 ALA A N 1 ATOM 255 C CA . ALA A 1 33 ? 25.795 -6.013 28.164 1.00 29.26 ? 374 ALA A CA 1 ATOM 256 C C . ALA A 1 33 ? 24.950 -6.855 27.181 1.00 31.02 ? 374 ALA A C 1 ATOM 257 O O . ALA A 1 33 ? 25.060 -6.694 25.961 1.00 30.70 ? 374 ALA A O 1 ATOM 258 C CB . ALA A 1 33 ? 25.025 -4.793 28.628 1.00 26.32 ? 374 ALA A CB 1 ATOM 259 N N . SER A 1 34 ? 24.125 -7.760 27.705 1.00 30.98 ? 375 SER A N 1 ATOM 260 C CA . SER A 1 34 ? 23.287 -8.611 26.856 1.00 31.79 ? 375 SER A CA 1 ATOM 261 C C . SER A 1 34 ? 22.013 -7.889 26.464 1.00 31.43 ? 375 SER A C 1 ATOM 262 O O . SER A 1 34 ? 21.152 -8.456 25.789 1.00 32.00 ? 375 SER A O 1 ATOM 263 C CB . SER A 1 34 ? 22.880 -9.889 27.599 1.00 32.87 ? 375 SER A CB 1 ATOM 264 O OG . SER A 1 34 ? 23.991 -10.718 27.872 1.00 39.02 ? 375 SER A OG 1 ATOM 265 N N . THR A 1 35 ? 21.902 -6.633 26.873 1.00 29.65 ? 376 THR A N 1 ATOM 266 C CA . THR A 1 35 ? 20.687 -5.885 26.632 1.00 28.68 ? 376 THR A CA 1 ATOM 267 C C . THR A 1 35 ? 20.873 -4.379 26.582 1.00 29.03 ? 376 THR A C 1 ATOM 268 O O . THR A 1 35 ? 21.760 -3.824 27.230 1.00 29.29 ? 376 THR A O 1 ATOM 269 C CB . THR A 1 35 ? 19.685 -6.245 27.734 1.00 27.96 ? 376 THR A CB 1 ATOM 270 O OG1 . THR A 1 35 ? 19.015 -7.453 27.375 1.00 30.94 ? 376 THR A OG1 1 ATOM 271 C CG2 . THR A 1 35 ? 18.690 -5.154 27.956 1.00 30.33 ? 376 THR A CG2 1 ATOM 272 N N . THR A 1 36 ? 20.022 -3.717 25.809 1.00 28.69 ? 377 THR A N 1 ATOM 273 C CA . THR A 1 36 ? 20.087 -2.271 25.690 1.00 28.14 ? 377 THR A CA 1 ATOM 274 C C . THR A 1 36 ? 19.781 -1.655 27.043 1.00 28.67 ? 377 THR A C 1 ATOM 275 O O . THR A 1 36 ? 20.450 -0.711 27.456 1.00 29.58 ? 377 THR A O 1 ATOM 276 C CB . THR A 1 36 ? 19.091 -1.751 24.633 1.00 27.11 ? 377 THR A CB 1 ATOM 277 O OG1 . THR A 1 36 ? 19.416 -2.317 23.363 1.00 26.76 ? 377 THR A OG1 1 ATOM 278 C CG2 . THR A 1 36 ? 19.169 -0.241 24.515 1.00 25.65 ? 377 THR A CG2 1 ATOM 279 N N . ASP A 1 37 ? 18.774 -2.195 27.728 1.00 29.80 ? 378 ASP A N 1 ATOM 280 C CA . ASP A 1 37 ? 18.396 -1.717 29.059 1.00 31.95 ? 378 ASP A CA 1 ATOM 281 C C . ASP A 1 37 ? 19.594 -1.783 30.010 1.00 33.22 ? 378 ASP A C 1 ATOM 282 O O . ASP A 1 37 ? 19.832 -0.849 30.782 1.00 34.39 ? 378 ASP A O 1 ATOM 283 C CB . ASP A 1 37 ? 17.268 -2.563 29.638 1.00 33.42 ? 378 ASP A CB 1 ATOM 284 C CG . ASP A 1 37 ? 15.903 -2.147 29.139 1.00 36.22 ? 378 ASP A CG 1 ATOM 285 O OD1 . ASP A 1 37 ? 15.781 -1.066 28.522 1.00 35.23 ? 378 ASP A OD1 1 ATOM 286 O OD2 . ASP A 1 37 ? 14.944 -2.909 29.388 1.00 38.62 ? 378 ASP A OD2 1 ATOM 287 N N . ASP A 1 38 ? 20.327 -2.899 29.953 1.00 32.21 ? 379 ASP A N 1 ATOM 288 C CA . ASP A 1 38 ? 21.520 -3.120 30.764 1.00 31.80 ? 379 ASP A CA 1 ATOM 289 C C . ASP A 1 38 ? 22.558 -2.041 30.467 1.00 32.44 ? 379 ASP A C 1 ATOM 290 O O . ASP A 1 38 ? 23.150 -1.464 31.380 1.00 33.20 ? 379 ASP A O 1 ATOM 291 C CB . ASP A 1 38 ? 22.125 -4.492 30.458 1.00 32.92 ? 379 ASP A CB 1 ATOM 292 C CG . ASP A 1 38 ? 21.473 -5.621 31.247 1.00 35.87 ? 379 ASP A CG 1 ATOM 293 O OD1 . ASP A 1 38 ? 20.459 -5.401 31.946 1.00 35.05 ? 379 ASP A OD1 1 ATOM 294 O OD2 . ASP A 1 38 ? 21.992 -6.750 31.160 1.00 38.14 ? 379 ASP A OD2 1 ATOM 295 N N . CYS A 1 39 ? 22.785 -1.786 29.182 1.00 31.60 ? 380 CYS A N 1 ATOM 296 C CA . CYS A 1 39 ? 23.731 -0.765 28.759 1.00 29.88 ? 380 CYS A CA 1 ATOM 297 C C . CYS A 1 39 ? 23.303 0.608 29.274 1.00 29.63 ? 380 CYS A C 1 ATOM 298 O O . CYS A 1 39 ? 24.149 1.454 29.567 1.00 29.62 ? 380 CYS A O 1 ATOM 299 C CB . CYS A 1 39 ? 23.831 -0.732 27.236 1.00 28.99 ? 380 CYS A CB 1 ATOM 300 S SG . CYS A 1 39 ? 25.259 -1.616 26.545 1.00 27.96 ? 380 CYS A SG 1 ATOM 301 N N . ILE A 1 40 ? 21.996 0.836 29.377 1.00 29.23 ? 381 ILE A N 1 ATOM 302 C CA . ILE A 1 40 ? 21.504 2.114 29.886 1.00 30.29 ? 381 ILE A CA 1 ATOM 303 C C . ILE A 1 40 ? 21.930 2.211 31.350 1.00 31.55 ? 381 ILE A C 1 ATOM 304 O O . ILE A 1 40 ? 22.419 3.248 31.803 1.00 34.26 ? 381 ILE A O 1 ATOM 305 C CB . ILE A 1 40 ? 19.951 2.231 29.804 1.00 30.66 ? 381 ILE A CB 1 ATOM 306 C CG1 . ILE A 1 40 ? 19.473 2.203 28.348 1.00 29.84 ? 381 ILE A CG1 1 ATOM 307 C CG2 . ILE A 1 40 ? 19.502 3.529 30.445 1.00 28.44 ? 381 ILE A CG2 1 ATOM 308 C CD1 . ILE A 1 40 ? 19.942 3.370 27.522 1.00 34.78 ? 381 ILE A CD1 1 ATOM 309 N N . VAL A 1 41 ? 21.755 1.120 32.086 1.00 30.52 ? 382 VAL A N 1 ATOM 310 C CA . VAL A 1 41 ? 22.133 1.081 33.490 1.00 29.10 ? 382 VAL A CA 1 ATOM 311 C C . VAL A 1 41 ? 23.634 1.318 33.689 1.00 29.53 ? 382 VAL A C 1 ATOM 312 O O . VAL A 1 41 ? 24.030 2.093 34.557 1.00 29.12 ? 382 VAL A O 1 ATOM 313 C CB . VAL A 1 41 ? 21.708 -0.268 34.121 1.00 27.79 ? 382 VAL A CB 1 ATOM 314 C CG1 . VAL A 1 41 ? 22.329 -0.438 35.499 1.00 26.28 ? 382 VAL A CG1 1 ATOM 315 C CG2 . VAL A 1 41 ? 20.203 -0.310 34.236 1.00 26.12 ? 382 VAL A CG2 1 ATOM 316 N N . LEU A 1 42 ? 24.468 0.658 32.888 1.00 29.41 ? 383 LEU A N 1 ATOM 317 C CA . LEU A 1 42 ? 25.915 0.829 33.004 1.00 29.41 ? 383 LEU A CA 1 ATOM 318 C C . LEU A 1 42 ? 26.280 2.295 32.844 1.00 29.58 ? 383 LEU A C 1 ATOM 319 O O . LEU A 1 42 ? 27.242 2.762 33.449 1.00 30.86 ? 383 LEU A O 1 ATOM 320 C CB . LEU A 1 42 ? 26.671 0.036 31.930 1.00 29.49 ? 383 LEU A CB 1 ATOM 321 C CG . LEU A 1 42 ? 26.681 -1.498 31.881 1.00 30.10 ? 383 LEU A CG 1 ATOM 322 C CD1 . LEU A 1 42 ? 27.654 -1.954 30.794 1.00 27.01 ? 383 LEU A CD1 1 ATOM 323 C CD2 . LEU A 1 42 ? 27.096 -2.063 33.228 1.00 28.77 ? 383 LEU A CD2 1 ATOM 324 N N . VAL A 1 43 ? 25.525 3.013 32.015 1.00 28.18 ? 384 VAL A N 1 ATOM 325 C CA . VAL A 1 43 ? 25.800 4.430 31.770 1.00 28.61 ? 384 VAL A CA 1 ATOM 326 C C . VAL A 1 43 ? 25.371 5.310 32.950 1.00 28.89 ? 384 VAL A C 1 ATOM 327 O O . VAL A 1 43 ? 25.918 6.392 33.151 1.00 27.32 ? 384 VAL A O 1 ATOM 328 C CB . VAL A 1 43 ? 25.098 4.931 30.470 1.00 28.74 ? 384 VAL A CB 1 ATOM 329 C CG1 . VAL A 1 43 ? 25.263 6.440 30.331 1.00 25.97 ? 384 VAL A CG1 1 ATOM 330 C CG2 . VAL A 1 43 ? 25.684 4.236 29.250 1.00 25.60 ? 384 VAL A CG2 1 ATOM 331 N N . LEU A 1 44 ? 24.386 4.846 33.716 1.00 29.66 ? 385 LEU A N 1 ATOM 332 C CA . LEU A 1 44 ? 23.910 5.578 34.890 1.00 30.08 ? 385 LEU A CA 1 ATOM 333 C C . LEU A 1 44 ? 24.920 5.383 36.015 1.00 30.68 ? 385 LEU A C 1 ATOM 334 O O . LEU A 1 44 ? 25.284 6.323 36.727 1.00 30.04 ? 385 LEU A O 1 ATOM 335 C CB . LEU A 1 44 ? 22.555 5.044 35.356 1.00 28.84 ? 385 LEU A CB 1 ATOM 336 C CG . LEU A 1 44 ? 21.346 5.392 34.491 1.00 31.63 ? 385 LEU A CG 1 ATOM 337 C CD1 . LEU A 1 44 ? 20.114 4.617 34.944 1.00 31.01 ? 385 LEU A CD1 1 ATOM 338 C CD2 . LEU A 1 44 ? 21.106 6.885 34.585 1.00 31.95 ? 385 LEU A CD2 1 ATOM 339 N N . LYS A 1 45 ? 25.372 4.145 36.173 1.00 30.67 ? 386 LYS A N 1 ATOM 340 C CA . LYS A 1 45 ? 26.331 3.846 37.212 1.00 29.10 ? 386 LYS A CA 1 ATOM 341 C C . LYS A 1 45 ? 27.629 4.568 36.895 1.00 29.15 ? 386 LYS A C 1 ATOM 342 O O . LYS A 1 45 ? 28.435 4.834 37.783 1.00 31.11 ? 386 LYS A O 1 ATOM 343 C CB . LYS A 1 45 ? 26.540 2.328 37.315 1.00 27.04 ? 386 LYS A CB 1 ATOM 344 C CG . LYS A 1 45 ? 25.260 1.577 37.686 1.00 25.17 ? 386 LYS A CG 1 ATOM 345 C CD . LYS A 1 45 ? 25.546 0.199 38.236 1.00 26.24 ? 386 LYS A CD 1 ATOM 346 C CE . LYS A 1 45 ? 26.073 -0.703 37.153 1.00 27.83 ? 386 LYS A CE 1 ATOM 347 N NZ . LYS A 1 45 ? 26.837 -1.848 37.713 1.00 28.34 ? 386 LYS A NZ 1 ATOM 348 N N . GLY A 1 46 ? 27.817 4.910 35.627 1.00 28.94 ? 387 GLY A N 1 ATOM 349 C CA . GLY A 1 46 ? 29.028 5.598 35.232 1.00 27.95 ? 387 GLY A CA 1 ATOM 350 C C . GLY A 1 46 ? 30.102 4.653 34.745 1.00 28.10 ? 387 GLY A C 1 ATOM 351 O O . GLY A 1 46 ? 31.228 5.064 34.496 1.00 29.59 ? 387 GLY A O 1 ATOM 352 N N . GLU A 1 47 ? 29.753 3.385 34.577 1.00 28.70 ? 388 GLU A N 1 ATOM 353 C CA . GLU A 1 47 ? 30.721 2.391 34.129 1.00 28.24 ? 388 GLU A CA 1 ATOM 354 C C . GLU A 1 47 ? 30.901 2.384 32.630 1.00 28.25 ? 388 GLU A C 1 ATOM 355 O O . GLU A 1 47 ? 31.781 1.707 32.092 1.00 28.70 ? 388 GLU A O 1 ATOM 356 C CB . GLU A 1 47 ? 30.290 1.029 34.625 1.00 27.59 ? 388 GLU A CB 1 ATOM 357 C CG . GLU A 1 47 ? 30.069 1.070 36.112 1.00 28.46 ? 388 GLU A CG 1 ATOM 358 C CD . GLU A 1 47 ? 29.332 -0.104 36.699 1.00 30.20 ? 388 GLU A CD 1 ATOM 359 O OE1 . GLU A 1 47 ? 28.440 0.161 37.531 1.00 33.45 ? 388 GLU A OE1 1 ATOM 360 O OE2 . GLU A 1 47 ? 29.634 -1.270 36.360 1.00 32.52 ? 388 GLU A OE2 1 ATOM 361 N N . ALA A 1 48 ? 30.052 3.148 31.964 1.00 26.66 ? 389 ALA A N 1 ATOM 362 C CA . ALA A 1 48 ? 30.117 3.290 30.523 1.00 27.81 ? 389 ALA A CA 1 ATOM 363 C C . ALA A 1 48 ? 29.733 4.740 30.243 1.00 28.08 ? 389 ALA A C 1 ATOM 364 O O . ALA A 1 48 ? 29.092 5.388 31.080 1.00 28.43 ? 389 ALA A O 1 ATOM 365 C CB . ALA A 1 48 ? 29.141 2.320 29.844 1.00 26.16 ? 389 ALA A CB 1 ATOM 366 N N . ASP A 1 49 ? 30.124 5.252 29.080 1.00 27.95 ? 390 ASP A N 1 ATOM 367 C CA . ASP A 1 49 ? 29.819 6.640 28.719 1.00 28.78 ? 390 ASP A CA 1 ATOM 368 C C . ASP A 1 49 ? 28.662 6.863 27.736 1.00 29.44 ? 390 ASP A C 1 ATOM 369 O O . ASP A 1 49 ? 27.760 7.663 27.999 1.00 28.13 ? 390 ASP A O 1 ATOM 370 C CB . ASP A 1 49 ? 31.056 7.327 28.135 1.00 30.53 ? 390 ASP A CB 1 ATOM 371 C CG . ASP A 1 49 ? 32.116 7.609 29.170 1.00 33.06 ? 390 ASP A CG 1 ATOM 372 O OD1 . ASP A 1 49 ? 31.774 8.177 30.223 1.00 34.30 ? 390 ASP A OD1 1 ATOM 373 O OD2 . ASP A 1 49 ? 33.293 7.277 28.925 1.00 35.34 ? 390 ASP A OD2 1 ATOM 374 N N . ALA A 1 50 ? 28.690 6.169 26.601 1.00 28.52 ? 391 ALA A N 1 ATOM 375 C CA . ALA A 1 50 ? 27.658 6.362 25.593 1.00 26.56 ? 391 ALA A CA 1 ATOM 376 C C . ALA A 1 50 ? 27.275 5.124 24.820 1.00 26.69 ? 391 ALA A C 1 ATOM 377 O O . ALA A 1 50 ? 27.874 4.065 24.972 1.00 26.83 ? 391 ALA A O 1 ATOM 378 C CB . ALA A 1 50 ? 28.108 7.431 24.611 1.00 22.12 ? 391 ALA A CB 1 ATOM 379 N N . LEU A 1 51 ? 26.246 5.297 23.994 1.00 27.28 ? 392 LEU A N 1 ATOM 380 C CA . LEU A 1 51 ? 25.737 4.279 23.094 1.00 27.46 ? 392 LEU A CA 1 ATOM 381 C C . LEU A 1 51 ? 24.705 4.920 22.176 1.00 26.49 ? 392 LEU A C 1 ATOM 382 O O . LEU A 1 51 ? 24.048 5.889 22.543 1.00 25.36 ? 392 LEU A O 1 ATOM 383 C CB . LEU A 1 51 ? 25.109 3.102 23.847 1.00 28.59 ? 392 LEU A CB 1 ATOM 384 C CG . LEU A 1 51 ? 23.737 3.215 24.519 1.00 31.59 ? 392 LEU A CG 1 ATOM 385 C CD1 . LEU A 1 51 ? 23.122 1.817 24.642 1.00 30.24 ? 392 LEU A CD1 1 ATOM 386 C CD2 . LEU A 1 51 ? 23.867 3.878 25.884 1.00 29.81 ? 392 LEU A CD2 1 ATOM 387 N N . ASN A 1 52 ? 24.596 4.391 20.964 1.00 28.36 ? 393 ASN A N 1 ATOM 388 C CA . ASN A 1 52 ? 23.638 4.892 19.994 1.00 28.46 ? 393 ASN A CA 1 ATOM 389 C C . ASN A 1 52 ? 22.327 4.163 20.265 1.00 27.68 ? 393 ASN A C 1 ATOM 390 O O . ASN A 1 52 ? 22.320 2.956 20.454 1.00 26.71 ? 393 ASN A O 1 ATOM 391 C CB . ASN A 1 52 ? 24.148 4.612 18.584 1.00 30.27 ? 393 ASN A CB 1 ATOM 392 C CG . ASN A 1 52 ? 23.275 5.225 17.515 1.00 30.88 ? 393 ASN A CG 1 ATOM 393 O OD1 . ASN A 1 52 ? 22.660 6.275 17.714 1.00 31.37 ? 393 ASN A OD1 1 ATOM 394 N ND2 . ASN A 1 52 ? 23.234 4.582 16.362 1.00 30.90 ? 393 ASN A ND2 1 ATOM 395 N N . LEU A 1 53 ? 21.221 4.901 20.288 1.00 29.13 ? 394 LEU A N 1 ATOM 396 C CA . LEU A 1 53 ? 19.918 4.318 20.591 1.00 29.34 ? 394 LEU A CA 1 ATOM 397 C C . LEU A 1 53 ? 18.786 4.672 19.634 1.00 29.36 ? 394 LEU A C 1 ATOM 398 O O . LEU A 1 53 ? 18.821 5.675 18.925 1.00 29.13 ? 394 LEU A O 1 ATOM 399 C CB . LEU A 1 53 ? 19.463 4.745 21.989 1.00 30.72 ? 394 LEU A CB 1 ATOM 400 C CG . LEU A 1 53 ? 20.197 4.343 23.264 1.00 31.80 ? 394 LEU A CG 1 ATOM 401 C CD1 . LEU A 1 53 ? 19.545 5.059 24.428 1.00 33.53 ? 394 LEU A CD1 1 ATOM 402 C CD2 . LEU A 1 53 ? 20.130 2.840 23.479 1.00 32.12 ? 394 LEU A CD2 1 ATOM 403 N N . ASP A 1 54 ? 17.757 3.837 19.672 1.00 29.45 ? 395 ASP A N 1 ATOM 404 C CA . ASP A 1 54 ? 16.558 4.017 18.872 1.00 28.98 ? 395 ASP A CA 1 ATOM 405 C C . ASP A 1 54 ? 15.653 4.948 19.686 1.00 30.19 ? 395 ASP A C 1 ATOM 406 O O . ASP A 1 54 ? 15.739 4.980 20.917 1.00 31.03 ? 395 ASP A O 1 ATOM 407 C CB . ASP A 1 54 ? 15.879 2.658 18.663 1.00 26.90 ? 395 ASP A CB 1 ATOM 408 C CG . ASP A 1 54 ? 14.463 2.780 18.143 1.00 26.29 ? 395 ASP A CG 1 ATOM 409 O OD1 . ASP A 1 54 ? 14.272 3.057 16.938 1.00 28.03 ? 395 ASP A OD1 1 ATOM 410 O OD2 . ASP A 1 54 ? 13.535 2.598 18.954 1.00 26.20 ? 395 ASP A OD2 1 ATOM 411 N N . GLY A 1 55 ? 14.788 5.699 19.012 1.00 29.42 ? 396 GLY A N 1 ATOM 412 C CA . GLY A 1 55 ? 13.906 6.605 19.726 1.00 29.15 ? 396 GLY A CA 1 ATOM 413 C C . GLY A 1 55 ? 13.216 6.012 20.947 1.00 29.24 ? 396 GLY A C 1 ATOM 414 O O . GLY A 1 55 ? 13.126 6.662 21.989 1.00 29.27 ? 396 GLY A O 1 ATOM 415 N N . GLY A 1 56 ? 12.719 4.784 20.815 1.00 29.01 ? 397 GLY A N 1 ATOM 416 C CA . GLY A 1 56 ? 12.024 4.124 21.910 1.00 28.46 ? 397 GLY A CA 1 ATOM 417 C C . GLY A 1 56 ? 12.829 4.004 23.191 1.00 29.48 ? 397 GLY A C 1 ATOM 418 O O . GLY A 1 56 ? 12.284 4.085 24.291 1.00 28.53 ? 397 GLY A O 1 ATOM 419 N N . TYR A 1 57 ? 14.131 3.797 23.049 1.00 29.50 ? 398 TYR A N 1 ATOM 420 C CA . TYR A 1 57 ? 15.003 3.669 24.199 1.00 29.68 ? 398 TYR A CA 1 ATOM 421 C C . TYR A 1 57 ? 15.410 5.069 24.662 1.00 30.00 ? 398 TYR A C 1 ATOM 422 O O . TYR A 1 57 ? 15.540 5.322 25.857 1.00 30.81 ? 398 TYR A O 1 ATOM 423 C CB . TYR A 1 57 ? 16.234 2.843 23.827 1.00 31.20 ? 398 TYR A CB 1 ATOM 424 C CG . TYR A 1 57 ? 15.961 1.392 23.448 1.00 32.37 ? 398 TYR A CG 1 ATOM 425 C CD1 . TYR A 1 57 ? 15.200 0.561 24.278 1.00 33.43 ? 398 TYR A CD1 1 ATOM 426 C CD2 . TYR A 1 57 ? 16.549 0.822 22.305 1.00 32.74 ? 398 TYR A CD2 1 ATOM 427 C CE1 . TYR A 1 57 ? 15.041 -0.804 23.985 1.00 35.57 ? 398 TYR A CE1 1 ATOM 428 C CE2 . TYR A 1 57 ? 16.393 -0.539 22.001 1.00 32.76 ? 398 TYR A CE2 1 ATOM 429 C CZ . TYR A 1 57 ? 15.644 -1.344 22.844 1.00 35.33 ? 398 TYR A CZ 1 ATOM 430 O OH . TYR A 1 57 ? 15.511 -2.685 22.552 1.00 36.93 ? 398 TYR A OH 1 ATOM 431 N N . ILE A 1 58 ? 15.606 5.976 23.711 1.00 30.38 ? 399 ILE A N 1 ATOM 432 C CA . ILE A 1 58 ? 15.965 7.354 24.026 1.00 30.51 ? 399 ILE A CA 1 ATOM 433 C C . ILE A 1 58 ? 14.953 7.903 25.029 1.00 30.65 ? 399 ILE A C 1 ATOM 434 O O . ILE A 1 58 ? 15.256 8.796 25.816 1.00 31.38 ? 399 ILE A O 1 ATOM 435 C CB . ILE A 1 58 ? 15.887 8.259 22.780 1.00 32.43 ? 399 ILE A CB 1 ATOM 436 C CG1 . ILE A 1 58 ? 16.889 7.811 21.719 1.00 31.83 ? 399 ILE A CG1 1 ATOM 437 C CG2 . ILE A 1 58 ? 16.111 9.705 23.185 1.00 31.25 ? 399 ILE A CG2 1 ATOM 438 C CD1 . ILE A 1 58 ? 18.310 8.018 22.117 1.00 39.22 ? 399 ILE A CD1 1 ATOM 439 N N . TYR A 1 59 ? 13.739 7.368 24.975 1.00 29.84 ? 400 TYR A N 1 ATOM 440 C CA . TYR A 1 59 ? 12.656 7.790 25.857 1.00 31.72 ? 400 TYR A CA 1 ATOM 441 C C . TYR A 1 59 ? 12.793 7.147 27.240 1.00 32.36 ? 400 TYR A C 1 ATOM 442 O O . TYR A 1 59 ? 12.439 7.743 28.259 1.00 33.60 ? 400 TYR A O 1 ATOM 443 C CB . TYR A 1 59 ? 11.317 7.410 25.223 1.00 31.86 ? 400 TYR A CB 1 ATOM 444 C CG . TYR A 1 59 ? 10.115 7.604 26.116 1.00 34.21 ? 400 TYR A CG 1 ATOM 445 C CD1 . TYR A 1 59 ? 9.416 8.811 26.142 1.00 36.65 ? 400 TYR A CD1 1 ATOM 446 C CD2 . TYR A 1 59 ? 9.686 6.580 26.957 1.00 36.96 ? 400 TYR A CD2 1 ATOM 447 C CE1 . TYR A 1 59 ? 8.309 8.992 26.991 1.00 37.35 ? 400 TYR A CE1 1 ATOM 448 C CE2 . TYR A 1 59 ? 8.583 6.749 27.814 1.00 37.89 ? 400 TYR A CE2 1 ATOM 449 C CZ . TYR A 1 59 ? 7.904 7.955 27.825 1.00 38.05 ? 400 TYR A CZ 1 ATOM 450 O OH . TYR A 1 59 ? 6.843 8.124 28.686 1.00 38.99 ? 400 TYR A OH 1 ATOM 451 N N . THR A 1 60 ? 13.300 5.920 27.270 1.00 32.13 ? 401 THR A N 1 ATOM 452 C CA . THR A 1 60 ? 13.504 5.208 28.524 1.00 31.43 ? 401 THR A CA 1 ATOM 453 C C . THR A 1 60 ? 14.658 5.880 29.265 1.00 31.26 ? 401 THR A C 1 ATOM 454 O O . THR A 1 60 ? 14.540 6.252 30.435 1.00 30.32 ? 401 THR A O 1 ATOM 455 C CB . THR A 1 60 ? 13.863 3.733 28.260 1.00 31.11 ? 401 THR A CB 1 ATOM 456 O OG1 . THR A 1 60 ? 12.754 3.078 27.633 1.00 34.89 ? 401 THR A OG1 1 ATOM 457 C CG2 . THR A 1 60 ? 14.197 3.015 29.558 1.00 31.25 ? 401 THR A CG2 1 ATOM 458 N N . ALA A 1 61 ? 15.766 6.044 28.551 1.00 30.22 ? 402 ALA A N 1 ATOM 459 C CA . ALA A 1 61 ? 16.965 6.661 29.089 1.00 29.77 ? 402 ALA A CA 1 ATOM 460 C C . ALA A 1 61 ? 16.744 8.114 29.509 1.00 31.09 ? 402 ALA A C 1 ATOM 461 O O . ALA A 1 61 ? 17.331 8.573 30.492 1.00 30.07 ? 402 ALA A O 1 ATOM 462 C CB . ALA A 1 61 ? 18.088 6.576 28.061 1.00 27.73 ? 402 ALA A CB 1 ATOM 463 N N . GLY A 1 62 ? 15.909 8.834 28.762 1.00 31.69 ? 403 GLY A N 1 ATOM 464 C CA . GLY A 1 62 ? 15.640 10.228 29.082 1.00 32.76 ? 403 GLY A CA 1 ATOM 465 C C . GLY A 1 62 ? 14.995 10.378 30.444 1.00 33.21 ? 403 GLY A C 1 ATOM 466 O O . GLY A 1 62 ? 15.308 11.298 31.200 1.00 34.72 ? 403 GLY A O 1 ATOM 467 N N . LYS A 1 63 ? 14.085 9.458 30.743 1.00 33.65 ? 404 LYS A N 1 ATOM 468 C CA . LYS A 1 63 ? 13.367 9.414 32.011 1.00 33.98 ? 404 LYS A CA 1 ATOM 469 C C . LYS A 1 63 ? 14.332 9.231 33.163 1.00 34.52 ? 404 LYS A C 1 ATOM 470 O O . LYS A 1 63 ? 14.004 9.508 34.314 1.00 36.17 ? 404 LYS A O 1 ATOM 471 C CB . LYS A 1 63 ? 12.405 8.233 32.011 1.00 35.02 ? 404 LYS A CB 1 ATOM 472 C CG . LYS A 1 63 ? 11.169 8.426 31.183 1.00 36.32 ? 404 LYS A CG 1 ATOM 473 C CD . LYS A 1 63 ? 10.180 9.270 31.952 1.00 39.73 ? 404 LYS A CD 1 ATOM 474 C CE . LYS A 1 63 ? 8.910 9.499 31.163 1.00 42.13 ? 404 LYS A CE 1 ATOM 475 N NZ . LYS A 1 63 ? 8.005 10.439 31.873 1.00 44.75 ? 404 LYS A NZ 1 ATOM 476 N N . CYS A 1 64 ? 15.518 8.733 32.840 1.00 35.77 ? 405 CYS A N 1 ATOM 477 C CA . CYS A 1 64 ? 16.546 8.478 33.830 1.00 35.69 ? 405 CYS A CA 1 ATOM 478 C C . CYS A 1 64 ? 17.660 9.508 33.757 1.00 33.51 ? 405 CYS A C 1 ATOM 479 O O . CYS A 1 64 ? 18.761 9.263 34.236 1.00 33.45 ? 405 CYS A O 1 ATOM 480 C CB . CYS A 1 64 ? 17.113 7.070 33.633 1.00 40.37 ? 405 CYS A CB 1 ATOM 481 S SG . CYS A 1 64 ? 15.870 5.750 33.823 1.00 47.11 ? 405 CYS A SG 1 ATOM 482 N N . GLY A 1 65 ? 17.371 10.650 33.135 1.00 31.71 ? 406 GLY A N 1 ATOM 483 C CA . GLY A 1 65 ? 18.345 11.724 33.033 1.00 28.97 ? 406 GLY A CA 1 ATOM 484 C C . GLY A 1 65 ? 19.398 11.690 31.945 1.00 27.85 ? 406 GLY A C 1 ATOM 485 O O . GLY A 1 65 ? 20.261 12.567 31.910 1.00 30.20 ? 406 GLY A O 1 ATOM 486 N N . LEU A 1 66 ? 19.370 10.699 31.064 1.00 27.43 ? 407 LEU A N 1 ATOM 487 C CA . LEU A 1 66 ? 20.368 10.665 29.997 1.00 28.25 ? 407 LEU A CA 1 ATOM 488 C C . LEU A 1 66 ? 19.979 11.691 28.939 1.00 29.27 ? 407 LEU A C 1 ATOM 489 O O . LEU A 1 66 ? 18.819 12.098 28.854 1.00 30.23 ? 407 LEU A O 1 ATOM 490 C CB . LEU A 1 66 ? 20.469 9.268 29.371 1.00 28.47 ? 407 LEU A CB 1 ATOM 491 C CG . LEU A 1 66 ? 20.902 8.090 30.255 1.00 27.27 ? 407 LEU A CG 1 ATOM 492 C CD1 . LEU A 1 66 ? 21.638 7.100 29.386 1.00 27.80 ? 407 LEU A CD1 1 ATOM 493 C CD2 . LEU A 1 66 ? 21.820 8.536 31.374 1.00 26.57 ? 407 LEU A CD2 1 ATOM 494 N N . VAL A 1 67 ? 20.938 12.110 28.128 1.00 28.96 ? 408 VAL A N 1 ATOM 495 C CA . VAL A 1 67 ? 20.643 13.110 27.121 1.00 29.50 ? 408 VAL A CA 1 ATOM 496 C C . VAL A 1 67 ? 21.172 12.799 25.726 1.00 29.53 ? 408 VAL A C 1 ATOM 497 O O . VAL A 1 67 ? 22.252 12.232 25.571 1.00 29.99 ? 408 VAL A O 1 ATOM 498 C CB . VAL A 1 67 ? 21.205 14.484 27.559 1.00 30.73 ? 408 VAL A CB 1 ATOM 499 C CG1 . VAL A 1 67 ? 20.719 14.820 28.964 1.00 30.35 ? 408 VAL A CG1 1 ATOM 500 C CG2 . VAL A 1 67 ? 22.728 14.468 27.522 1.00 28.51 ? 408 VAL A CG2 1 ATOM 501 N N . PRO A 1 68 ? 20.404 13.164 24.689 1.00 28.79 ? 409 PRO A N 1 ATOM 502 C CA . PRO A 1 68 ? 20.839 12.919 23.314 1.00 27.63 ? 409 PRO A CA 1 ATOM 503 C C . PRO A 1 68 ? 22.025 13.822 23.059 1.00 28.41 ? 409 PRO A C 1 ATOM 504 O O . PRO A 1 68 ? 22.017 14.972 23.474 1.00 30.54 ? 409 PRO A O 1 ATOM 505 C CB . PRO A 1 68 ? 19.623 13.328 22.494 1.00 27.33 ? 409 PRO A CB 1 ATOM 506 C CG . PRO A 1 68 ? 19.000 14.387 23.332 1.00 28.49 ? 409 PRO A CG 1 ATOM 507 C CD . PRO A 1 68 ? 19.066 13.777 24.705 1.00 28.06 ? 409 PRO A CD 1 ATOM 508 N N . VAL A 1 69 ? 23.039 13.313 22.374 1.00 29.21 ? 410 VAL A N 1 ATOM 509 C CA . VAL A 1 69 ? 24.237 14.094 22.096 1.00 29.18 ? 410 VAL A CA 1 ATOM 510 C C . VAL A 1 69 ? 24.418 14.383 20.611 1.00 30.44 ? 410 VAL A C 1 ATOM 511 O O . VAL A 1 69 ? 24.653 15.517 20.206 1.00 31.17 ? 410 VAL A O 1 ATOM 512 C CB . VAL A 1 69 ? 25.477 13.349 22.598 1.00 27.46 ? 410 VAL A CB 1 ATOM 513 C CG1 . VAL A 1 69 ? 26.711 14.194 22.378 1.00 28.72 ? 410 VAL A CG1 1 ATOM 514 C CG2 . VAL A 1 69 ? 25.301 13.002 24.064 1.00 28.96 ? 410 VAL A CG2 1 ATOM 515 N N . LEU A 1 70 ? 24.326 13.334 19.807 1.00 31.59 ? 411 LEU A N 1 ATOM 516 C CA . LEU A 1 70 ? 24.478 13.446 18.366 1.00 31.48 ? 411 LEU A CA 1 ATOM 517 C C . LEU A 1 70 ? 23.528 12.437 17.766 1.00 31.51 ? 411 LEU A C 1 ATOM 518 O O . LEU A 1 70 ? 23.261 11.398 18.376 1.00 30.97 ? 411 LEU A O 1 ATOM 519 C CB . LEU A 1 70 ? 25.915 13.127 17.948 1.00 29.89 ? 411 LEU A CB 1 ATOM 520 C CG . LEU A 1 70 ? 27.008 14.061 18.482 1.00 29.40 ? 411 LEU A CG 1 ATOM 521 C CD1 . LEU A 1 70 ? 28.379 13.490 18.162 1.00 27.53 ? 411 LEU A CD1 1 ATOM 522 C CD2 . LEU A 1 70 ? 26.846 15.437 17.869 1.00 27.78 ? 411 LEU A CD2 1 ATOM 523 N N . ALA A 1 71 ? 23.008 12.749 16.583 1.00 31.40 ? 412 ALA A N 1 ATOM 524 C CA . ALA A 1 71 ? 22.076 11.857 15.907 1.00 32.57 ? 412 ALA A CA 1 ATOM 525 C C . ALA A 1 71 ? 22.664 11.324 14.615 1.00 32.12 ? 412 ALA A C 1 ATOM 526 O O . ALA A 1 71 ? 23.584 11.913 14.060 1.00 33.62 ? 412 ALA A O 1 ATOM 527 C CB . ALA A 1 71 ? 20.778 12.583 15.620 1.00 32.24 ? 412 ALA A CB 1 ATOM 528 N N . GLU A 1 72 ? 22.142 10.195 14.147 1.00 32.26 ? 413 GLU A N 1 ATOM 529 C CA . GLU A 1 72 ? 22.615 9.619 12.897 1.00 33.75 ? 413 GLU A CA 1 ATOM 530 C C . GLU A 1 72 ? 22.008 10.442 11.764 1.00 35.49 ? 413 GLU A C 1 ATOM 531 O O . GLU A 1 72 ? 20.920 10.994 11.903 1.00 33.58 ? 413 GLU A O 1 ATOM 532 C CB . GLU A 1 72 ? 22.147 8.174 12.738 1.00 33.59 ? 413 GLU A CB 1 ATOM 533 C CG . GLU A 1 72 ? 22.592 7.192 13.787 1.00 31.15 ? 413 GLU A CG 1 ATOM 534 C CD . GLU A 1 72 ? 22.087 5.816 13.462 1.00 31.91 ? 413 GLU A CD 1 ATOM 535 O OE1 . GLU A 1 72 ? 20.934 5.713 13.005 1.00 31.68 ? 413 GLU A OE1 1 ATOM 536 O OE2 . GLU A 1 72 ? 22.828 4.839 13.657 1.00 34.61 ? 413 GLU A OE2 1 ATOM 537 N N . ASN A 1 73 ? 22.709 10.523 10.645 1.00 39.24 ? 414 ASN A N 1 ATOM 538 C CA . ASN A 1 73 ? 22.210 11.268 9.502 1.00 44.22 ? 414 ASN A CA 1 ATOM 539 C C . ASN A 1 73 ? 22.531 10.466 8.248 1.00 47.88 ? 414 ASN A C 1 ATOM 540 O O . ASN A 1 73 ? 23.669 10.048 8.056 1.00 47.48 ? 414 ASN A O 1 ATOM 541 C CB . ASN A 1 73 ? 22.882 12.638 9.443 1.00 45.39 ? 414 ASN A CB 1 ATOM 542 C CG . ASN A 1 73 ? 21.891 13.768 9.266 1.00 45.30 ? 414 ASN A CG 1 ATOM 543 O OD1 . ASN A 1 73 ? 22.269 14.936 9.263 1.00 46.82 ? 414 ASN A OD1 1 ATOM 544 N ND2 . ASN A 1 73 ? 20.619 13.429 9.121 1.00 46.59 ? 414 ASN A ND2 1 ATOM 545 N N . ARG A 1 74 ? 21.529 10.244 7.403 1.00 53.34 ? 415 ARG A N 1 ATOM 546 C CA . ARG A 1 74 ? 21.721 9.483 6.171 1.00 59.40 ? 415 ARG A CA 1 ATOM 547 C C . ARG A 1 74 ? 21.648 10.393 4.944 1.00 63.07 ? 415 ARG A C 1 ATOM 548 O O . ARG A 1 74 ? 21.582 11.616 5.076 1.00 63.16 ? 415 ARG A O 1 ATOM 549 C CB . ARG A 1 74 ? 20.657 8.389 6.060 1.00 60.83 ? 415 ARG A CB 1 ATOM 550 C CG . ARG A 1 74 ? 19.238 8.919 5.953 1.00 64.86 ? 415 ARG A CG 1 ATOM 551 C CD . ARG A 1 74 ? 18.278 7.851 5.447 1.00 68.52 ? 415 ARG A CD 1 ATOM 552 N NE . ARG A 1 74 ? 16.992 8.413 5.030 1.00 73.02 ? 415 ARG A NE 1 ATOM 553 C CZ . ARG A 1 74 ? 16.128 9.010 5.850 1.00 74.86 ? 415 ARG A CZ 1 ATOM 554 N NH1 . ARG A 1 74 ? 16.409 9.127 7.147 1.00 74.21 ? 415 ARG A NH1 1 ATOM 555 N NH2 . ARG A 1 74 ? 14.978 9.483 5.375 1.00 75.05 ? 415 ARG A NH2 1 ATOM 556 N N . LYS A 1 75 ? 21.665 9.793 3.753 1.00 67.96 ? 416 LYS A N 1 ATOM 557 C CA . LYS A 1 75 ? 21.580 10.552 2.502 1.00 72.51 ? 416 LYS A CA 1 ATOM 558 C C . LYS A 1 75 ? 20.252 11.293 2.356 1.00 76.07 ? 416 LYS A C 1 ATOM 559 O O . LYS A 1 75 ? 19.195 10.759 2.687 1.00 77.05 ? 416 LYS A O 1 ATOM 560 C CB . LYS A 1 75 ? 21.748 9.633 1.289 1.00 71.92 ? 416 LYS A CB 1 ATOM 561 C CG . LYS A 1 75 ? 23.176 9.272 0.974 1.00 73.16 ? 416 LYS A CG 1 ATOM 562 C CD . LYS A 1 75 ? 23.657 8.125 1.830 1.00 74.57 ? 416 LYS A CD 1 ATOM 563 C CE . LYS A 1 75 ? 25.144 7.907 1.651 1.00 75.32 ? 416 LYS A CE 1 ATOM 564 N NZ . LYS A 1 75 ? 25.897 8.862 2.494 1.00 75.66 ? 416 LYS A NZ 1 ATOM 565 N N . SER A 1 76 ? 20.309 12.519 1.847 1.00 80.15 ? 417 SER A N 1 ATOM 566 C CA . SER A 1 76 ? 19.103 13.316 1.647 1.00 84.74 ? 417 SER A CA 1 ATOM 567 C C . SER A 1 76 ? 19.170 14.079 0.326 1.00 87.82 ? 417 SER A C 1 ATOM 568 O O . SER A 1 76 ? 19.980 13.762 -0.549 1.00 88.55 ? 417 SER A O 1 ATOM 569 C CB . SER A 1 76 ? 18.924 14.301 2.803 1.00 84.37 ? 417 SER A CB 1 ATOM 570 O OG . SER A 1 76 ? 20.038 15.168 2.906 1.00 85.23 ? 417 SER A OG 1 ATOM 571 N N . SER A 1 77 ? 18.312 15.086 0.189 1.00 91.02 ? 418 SER A N 1 ATOM 572 C CA . SER A 1 77 ? 18.262 15.908 -1.017 1.00 93.65 ? 418 SER A CA 1 ATOM 573 C C . SER A 1 77 ? 18.186 17.387 -0.645 1.00 95.18 ? 418 SER A C 1 ATOM 574 O O . SER A 1 77 ? 18.879 18.228 -1.228 1.00 96.00 ? 418 SER A O 1 ATOM 575 C CB . SER A 1 77 ? 17.045 15.527 -1.862 1.00 93.93 ? 418 SER A CB 1 ATOM 576 O OG . SER A 1 77 ? 16.836 16.469 -2.901 1.00 95.45 ? 418 SER A OG 1 ATOM 577 N N . LYS A 1 78 ? 17.329 17.692 0.327 1.00 95.96 ? 419 LYS A N 1 ATOM 578 C CA . LYS A 1 78 ? 17.144 19.053 0.814 1.00 96.44 ? 419 LYS A CA 1 ATOM 579 C C . LYS A 1 78 ? 18.418 19.487 1.561 1.00 97.28 ? 419 LYS A C 1 ATOM 580 O O . LYS A 1 78 ? 19.148 18.643 2.089 1.00 97.64 ? 419 LYS A O 1 ATOM 581 C CB . LYS A 1 78 ? 15.914 19.088 1.731 1.00 95.98 ? 419 LYS A CB 1 ATOM 582 C CG . LYS A 1 78 ? 15.492 20.471 2.202 1.00 96.29 ? 419 LYS A CG 1 ATOM 583 C CD . LYS A 1 78 ? 13.969 20.589 2.325 1.00 95.79 ? 419 LYS A CD 1 ATOM 584 C CE . LYS A 1 78 ? 13.351 19.536 3.252 1.00 94.89 ? 419 LYS A CE 1 ATOM 585 N NZ . LYS A 1 78 ? 13.786 19.637 4.676 1.00 94.62 ? 419 LYS A NZ 1 ATOM 586 N N . HIS A 1 79 ? 18.682 20.795 1.603 1.00 97.50 ? 420 HIS A N 1 ATOM 587 C CA . HIS A 1 79 ? 19.881 21.350 2.256 1.00 96.95 ? 420 HIS A CA 1 ATOM 588 C C . HIS A 1 79 ? 21.119 20.751 1.591 1.00 95.80 ? 420 HIS A C 1 ATOM 589 O O . HIS A 1 79 ? 21.954 20.147 2.263 1.00 95.46 ? 420 HIS A O 1 ATOM 590 C CB . HIS A 1 79 ? 19.963 20.998 3.752 1.00 98.14 ? 420 HIS A CB 1 ATOM 591 C CG . HIS A 1 79 ? 18.642 20.778 4.423 1.00 99.37 ? 420 HIS A CG 1 ATOM 592 N ND1 . HIS A 1 79 ? 17.827 21.811 4.837 1.00 100.00 ? 420 HIS A ND1 1 ATOM 593 C CD2 . HIS A 1 79 ? 18.020 19.635 4.799 1.00 100.00 ? 420 HIS A CD2 1 ATOM 594 C CE1 . HIS A 1 79 ? 16.763 21.313 5.443 1.00 100.00 ? 420 HIS A CE1 1 ATOM 595 N NE2 . HIS A 1 79 ? 16.856 19.995 5.433 1.00 100.00 ? 420 HIS A NE2 1 ATOM 596 N N . SER A 1 80 ? 21.242 20.923 0.280 1.00 94.55 ? 421 SER A N 1 ATOM 597 C CA . SER A 1 80 ? 22.366 20.361 -0.467 1.00 93.38 ? 421 SER A CA 1 ATOM 598 C C . SER A 1 80 ? 23.756 20.872 -0.071 1.00 91.80 ? 421 SER A C 1 ATOM 599 O O . SER A 1 80 ? 24.658 20.077 0.202 1.00 91.12 ? 421 SER A O 1 ATOM 600 C CB . SER A 1 80 ? 22.139 20.591 -1.963 1.00 93.94 ? 421 SER A CB 1 ATOM 601 O OG . SER A 1 80 ? 20.821 20.207 -2.324 1.00 94.24 ? 421 SER A OG 1 ATOM 602 N N . SER A 1 81 ? 23.926 22.191 -0.043 1.00 90.41 ? 422 SER A N 1 ATOM 603 C CA . SER A 1 81 ? 25.215 22.792 0.305 1.00 88.11 ? 422 SER A CA 1 ATOM 604 C C . SER A 1 81 ? 25.611 22.592 1.772 1.00 85.58 ? 422 SER A C 1 ATOM 605 O O . SER A 1 81 ? 26.789 22.709 2.121 1.00 85.98 ? 422 SER A O 1 ATOM 606 C CB . SER A 1 81 ? 25.209 24.291 -0.028 1.00 88.21 ? 422 SER A CB 1 ATOM 607 O OG . SER A 1 81 ? 24.268 24.993 0.767 1.00 88.82 ? 422 SER A OG 1 ATOM 608 N N . LEU A 1 82 ? 24.632 22.291 2.624 1.00 81.48 ? 423 LEU A N 1 ATOM 609 C CA . LEU A 1 82 ? 24.898 22.069 4.043 1.00 76.68 ? 423 LEU A CA 1 ATOM 610 C C . LEU A 1 82 ? 25.695 20.792 4.286 1.00 73.29 ? 423 LEU A C 1 ATOM 611 O O . LEU A 1 82 ? 25.408 19.750 3.696 1.00 72.65 ? 423 LEU A O 1 ATOM 612 C CB . LEU A 1 82 ? 23.594 21.979 4.833 1.00 76.37 ? 423 LEU A CB 1 ATOM 613 C CG . LEU A 1 82 ? 23.130 23.212 5.603 1.00 75.92 ? 423 LEU A CG 1 ATOM 614 C CD1 . LEU A 1 82 ? 22.278 24.108 4.713 1.00 75.79 ? 423 LEU A CD1 1 ATOM 615 C CD2 . LEU A 1 82 ? 22.331 22.746 6.808 1.00 75.54 ? 423 LEU A CD2 1 ATOM 616 N N . ASP A 1 83 ? 26.687 20.875 5.168 1.00 69.58 ? 424 ASP A N 1 ATOM 617 C CA . ASP A 1 83 ? 27.509 19.720 5.492 1.00 65.21 ? 424 ASP A CA 1 ATOM 618 C C . ASP A 1 83 ? 26.665 18.686 6.229 1.00 61.64 ? 424 ASP A C 1 ATOM 619 O O . ASP A 1 83 ? 25.593 19.004 6.751 1.00 61.93 ? 424 ASP A O 1 ATOM 620 C CB . ASP A 1 83 ? 28.684 20.125 6.373 1.00 66.07 ? 424 ASP A CB 1 ATOM 621 C CG . ASP A 1 83 ? 29.745 19.056 6.432 1.00 68.68 ? 424 ASP A CG 1 ATOM 622 O OD1 . ASP A 1 83 ? 30.496 18.919 5.442 1.00 70.48 ? 424 ASP A OD1 1 ATOM 623 O OD2 . ASP A 1 83 ? 29.819 18.339 7.453 1.00 69.79 ? 424 ASP A OD2 1 ATOM 624 N N . CYS A 1 84 ? 27.150 17.450 6.278 1.00 56.07 ? 425 CYS A N 1 ATOM 625 C CA . CYS A 1 84 ? 26.408 16.394 6.948 1.00 51.23 ? 425 CYS A CA 1 ATOM 626 C C . CYS A 1 84 ? 26.258 16.600 8.455 1.00 49.32 ? 425 CYS A C 1 ATOM 627 O O . CYS A 1 84 ? 25.183 16.378 9.012 1.00 48.70 ? 425 CYS A O 1 ATOM 628 C CB . CYS A 1 84 ? 27.060 15.037 6.700 1.00 48.93 ? 425 CYS A CB 1 ATOM 629 S SG . CYS A 1 84 ? 26.117 13.688 7.477 1.00 46.16 ? 425 CYS A SG 1 ATOM 630 N N . VAL A 1 85 ? 27.334 17.019 9.112 1.00 46.43 ? 426 VAL A N 1 ATOM 631 C CA . VAL A 1 85 ? 27.314 17.225 10.556 1.00 44.23 ? 426 VAL A CA 1 ATOM 632 C C . VAL A 1 85 ? 26.448 18.390 11.014 1.00 44.19 ? 426 VAL A C 1 ATOM 633 O O . VAL A 1 85 ? 25.989 18.417 12.153 1.00 43.18 ? 426 VAL A O 1 ATOM 634 C CB . VAL A 1 85 ? 28.743 17.424 11.100 1.00 42.80 ? 426 VAL A CB 1 ATOM 635 C CG1 . VAL A 1 85 ? 28.707 17.581 12.607 1.00 40.22 ? 426 VAL A CG1 1 ATOM 636 C CG2 . VAL A 1 85 ? 29.611 16.234 10.716 1.00 41.51 ? 426 VAL A CG2 1 ATOM 637 N N . LEU A 1 86 ? 26.214 19.343 10.121 1.00 46.20 ? 427 LEU A N 1 ATOM 638 C CA . LEU A 1 86 ? 25.411 20.522 10.441 1.00 48.54 ? 427 LEU A CA 1 ATOM 639 C C . LEU A 1 86 ? 23.978 20.455 9.903 1.00 50.25 ? 427 LEU A C 1 ATOM 640 O O . LEU A 1 86 ? 23.104 21.208 10.344 1.00 50.63 ? 427 LEU A O 1 ATOM 641 C CB . LEU A 1 86 ? 26.105 21.768 9.888 1.00 47.45 ? 427 LEU A CB 1 ATOM 642 C CG . LEU A 1 86 ? 27.521 22.006 10.415 1.00 46.75 ? 427 LEU A CG 1 ATOM 643 C CD1 . LEU A 1 86 ? 28.303 22.874 9.442 1.00 46.80 ? 427 LEU A CD1 1 ATOM 644 C CD2 . LEU A 1 86 ? 27.443 22.645 11.792 1.00 45.95 ? 427 LEU A CD2 1 ATOM 645 N N . ARG A 1 87 ? 23.752 19.555 8.948 1.00 51.29 ? 428 ARG A N 1 ATOM 646 C CA . ARG A 1 87 ? 22.446 19.366 8.317 1.00 51.44 ? 428 ARG A CA 1 ATOM 647 C C . ARG A 1 87 ? 21.404 18.760 9.262 1.00 51.62 ? 428 ARG A C 1 ATOM 648 O O . ARG A 1 87 ? 21.686 17.814 9.998 1.00 50.23 ? 428 ARG A O 1 ATOM 649 C CB . ARG A 1 87 ? 22.608 18.460 7.094 1.00 52.25 ? 428 ARG A CB 1 ATOM 650 C CG . ARG A 1 87 ? 21.317 18.134 6.346 1.00 52.85 ? 428 ARG A CG 1 ATOM 651 C CD . ARG A 1 87 ? 21.456 16.784 5.664 1.00 51.59 ? 428 ARG A CD 1 ATOM 652 N NE . ARG A 1 87 ? 22.694 16.710 4.897 1.00 50.76 ? 428 ARG A NE 1 ATOM 653 C CZ . ARG A 1 87 ? 23.324 15.580 4.604 1.00 50.25 ? 428 ARG A CZ 1 ATOM 654 N NH1 . ARG A 1 87 ? 22.830 14.423 5.021 1.00 51.12 ? 428 ARG A NH1 1 ATOM 655 N NH2 . ARG A 1 87 ? 24.449 15.609 3.898 1.00 50.01 ? 428 ARG A NH2 1 ATOM 656 N N . PRO A 1 88 ? 20.175 19.296 9.247 1.00 52.77 ? 429 PRO A N 1 ATOM 657 C CA . PRO A 1 88 ? 19.117 18.775 10.120 1.00 53.60 ? 429 PRO A CA 1 ATOM 658 C C . PRO A 1 88 ? 18.803 17.322 9.780 1.00 54.03 ? 429 PRO A C 1 ATOM 659 O O . PRO A 1 88 ? 19.026 16.885 8.647 1.00 53.71 ? 429 PRO A O 1 ATOM 660 C CB . PRO A 1 88 ? 17.932 19.695 9.822 1.00 53.09 ? 429 PRO A CB 1 ATOM 661 C CG . PRO A 1 88 ? 18.583 20.974 9.375 1.00 53.22 ? 429 PRO A CG 1 ATOM 662 C CD . PRO A 1 88 ? 19.706 20.474 8.498 1.00 52.97 ? 429 PRO A CD 1 ATOM 663 N N . THR A 1 89 ? 18.286 16.580 10.759 1.00 54.64 ? 430 THR A N 1 ATOM 664 C CA . THR A 1 89 ? 17.927 15.177 10.552 1.00 53.86 ? 430 THR A CA 1 ATOM 665 C C . THR A 1 89 ? 16.526 15.090 9.953 1.00 53.77 ? 430 THR A C 1 ATOM 666 O O . THR A 1 89 ? 15.601 15.771 10.397 1.00 53.27 ? 430 THR A O 1 ATOM 667 C CB . THR A 1 89 ? 17.943 14.373 11.870 1.00 53.05 ? 430 THR A CB 1 ATOM 668 O OG1 . THR A 1 89 ? 17.004 14.937 12.790 1.00 52.74 ? 430 THR A OG1 1 ATOM 669 C CG2 . THR A 1 89 ? 19.326 14.390 12.486 1.00 52.95 ? 430 THR A CG2 1 ATOM 670 N N . GLU A 1 90 ? 16.381 14.235 8.950 1.00 54.02 ? 431 GLU A N 1 ATOM 671 C CA . GLU A 1 90 ? 15.116 14.061 8.257 1.00 54.05 ? 431 GLU A CA 1 ATOM 672 C C . GLU A 1 90 ? 14.161 13.046 8.879 1.00 51.75 ? 431 GLU A C 1 ATOM 673 O O . GLU A 1 90 ? 12.992 12.998 8.510 1.00 53.56 ? 431 GLU A O 1 ATOM 674 C CB . GLU A 1 90 ? 15.393 13.695 6.791 1.00 58.05 ? 431 GLU A CB 1 ATOM 675 C CG . GLU A 1 90 ? 15.141 14.831 5.787 1.00 62.19 ? 431 GLU A CG 1 ATOM 676 C CD . GLU A 1 90 ? 16.165 14.878 4.654 1.00 65.14 ? 431 GLU A CD 1 ATOM 677 O OE1 . GLU A 1 90 ? 17.095 15.718 4.725 1.00 66.89 ? 431 GLU A OE1 1 ATOM 678 O OE2 . GLU A 1 90 ? 16.045 14.076 3.698 1.00 65.26 ? 431 GLU A OE2 1 ATOM 679 N N . GLY A 1 91 ? 14.639 12.249 9.828 1.00 48.87 ? 432 GLY A N 1 ATOM 680 C CA . GLY A 1 91 ? 13.775 11.252 10.448 1.00 45.13 ? 432 GLY A CA 1 ATOM 681 C C . GLY A 1 91 ? 13.624 10.057 9.522 1.00 43.71 ? 432 GLY A C 1 ATOM 682 O O . GLY A 1 91 ? 14.096 10.095 8.389 1.00 47.10 ? 432 GLY A O 1 ATOM 683 N N . TYR A 1 92 ? 12.991 8.981 9.974 1.00 39.43 ? 433 TYR A N 1 ATOM 684 C CA . TYR A 1 92 ? 12.825 7.832 9.092 1.00 34.59 ? 433 TYR A CA 1 ATOM 685 C C . TYR A 1 92 ? 11.386 7.344 9.000 1.00 32.52 ? 433 TYR A C 1 ATOM 686 O O . TYR A 1 92 ? 10.558 7.675 9.844 1.00 30.27 ? 433 TYR A O 1 ATOM 687 C CB . TYR A 1 92 ? 13.805 6.693 9.469 1.00 34.60 ? 433 TYR A CB 1 ATOM 688 C CG . TYR A 1 92 ? 13.710 6.067 10.847 1.00 33.66 ? 433 TYR A CG 1 ATOM 689 C CD1 . TYR A 1 92 ? 12.780 5.065 11.115 1.00 33.37 ? 433 TYR A CD1 1 ATOM 690 C CD2 . TYR A 1 92 ? 14.603 6.429 11.859 1.00 33.45 ? 433 TYR A CD2 1 ATOM 691 C CE1 . TYR A 1 92 ? 12.739 4.431 12.353 1.00 33.63 ? 433 TYR A CE1 1 ATOM 692 C CE2 . TYR A 1 92 ? 14.572 5.803 13.106 1.00 34.20 ? 433 TYR A CE2 1 ATOM 693 C CZ . TYR A 1 92 ? 13.633 4.802 13.347 1.00 34.16 ? 433 TYR A CZ 1 ATOM 694 O OH . TYR A 1 92 ? 13.562 4.184 14.579 1.00 32.35 ? 433 TYR A OH 1 ATOM 695 N N . LEU A 1 93 ? 11.083 6.574 7.957 1.00 30.46 ? 434 LEU A N 1 ATOM 696 C CA . LEU A 1 93 ? 9.721 6.090 7.748 1.00 29.38 ? 434 LEU A CA 1 ATOM 697 C C . LEU A 1 93 ? 9.421 4.705 8.289 1.00 29.57 ? 434 LEU A C 1 ATOM 698 O O . LEU A 1 93 ? 10.025 3.721 7.875 1.00 32.57 ? 434 LEU A O 1 ATOM 699 C CB . LEU A 1 93 ? 9.377 6.127 6.255 1.00 27.32 ? 434 LEU A CB 1 ATOM 700 C CG . LEU A 1 93 ? 9.362 7.502 5.586 1.00 25.75 ? 434 LEU A CG 1 ATOM 701 C CD1 . LEU A 1 93 ? 8.837 7.365 4.177 1.00 21.91 ? 434 LEU A CD1 1 ATOM 702 C CD2 . LEU A 1 93 ? 8.490 8.462 6.392 1.00 25.51 ? 434 LEU A CD2 1 ATOM 703 N N . ALA A 1 94 ? 8.479 4.632 9.217 1.00 28.40 ? 435 ALA A N 1 ATOM 704 C CA . ALA A 1 94 ? 8.081 3.355 9.794 1.00 28.38 ? 435 ALA A CA 1 ATOM 705 C C . ALA A 1 94 ? 7.025 2.771 8.866 1.00 28.61 ? 435 ALA A C 1 ATOM 706 O O . ALA A 1 94 ? 6.050 3.439 8.536 1.00 29.92 ? 435 ALA A O 1 ATOM 707 C CB . ALA A 1 94 ? 7.496 3.561 11.188 1.00 27.34 ? 435 ALA A CB 1 ATOM 708 N N . VAL A 1 95 ? 7.217 1.528 8.445 1.00 28.55 ? 436 VAL A N 1 ATOM 709 C CA . VAL A 1 95 ? 6.271 0.881 7.540 1.00 28.70 ? 436 VAL A CA 1 ATOM 710 C C . VAL A 1 95 ? 5.933 -0.538 7.983 1.00 28.93 ? 436 VAL A C 1 ATOM 711 O O . VAL A 1 95 ? 6.578 -1.091 8.871 1.00 31.02 ? 436 VAL A O 1 ATOM 712 C CB . VAL A 1 95 ? 6.836 0.791 6.090 1.00 26.99 ? 436 VAL A CB 1 ATOM 713 C CG1 . VAL A 1 95 ? 7.195 2.163 5.586 1.00 27.75 ? 436 VAL A CG1 1 ATOM 714 C CG2 . VAL A 1 95 ? 8.051 -0.122 6.052 1.00 25.60 ? 436 VAL A CG2 1 ATOM 715 N N . ALA A 1 96 ? 4.902 -1.105 7.360 1.00 28.49 ? 437 ALA A N 1 ATOM 716 C CA . ALA A 1 96 ? 4.476 -2.478 7.611 1.00 26.91 ? 437 ALA A CA 1 ATOM 717 C C . ALA A 1 96 ? 4.613 -3.118 6.248 1.00 26.38 ? 437 ALA A C 1 ATOM 718 O O . ALA A 1 96 ? 4.047 -2.631 5.280 1.00 27.02 ? 437 ALA A O 1 ATOM 719 C CB . ALA A 1 96 ? 3.041 -2.525 8.066 1.00 26.66 ? 437 ALA A CB 1 ATOM 720 N N . VAL A 1 97 ? 5.387 -4.190 6.173 1.00 27.15 ? 438 VAL A N 1 ATOM 721 C CA . VAL A 1 97 ? 5.625 -4.873 4.914 1.00 28.16 ? 438 VAL A CA 1 ATOM 722 C C . VAL A 1 97 ? 5.062 -6.287 4.898 1.00 30.02 ? 438 VAL A C 1 ATOM 723 O O . VAL A 1 97 ? 4.955 -6.942 5.937 1.00 32.16 ? 438 VAL A O 1 ATOM 724 C CB . VAL A 1 97 ? 7.125 -4.949 4.629 1.00 26.85 ? 438 VAL A CB 1 ATOM 725 C CG1 . VAL A 1 97 ? 7.371 -5.433 3.219 1.00 25.65 ? 438 VAL A CG1 1 ATOM 726 C CG2 . VAL A 1 97 ? 7.745 -3.600 4.859 1.00 29.19 ? 438 VAL A CG2 1 ATOM 727 N N . VAL A 1 98 ? 4.707 -6.750 3.705 1.00 30.44 ? 439 VAL A N 1 ATOM 728 C CA . VAL A 1 98 ? 4.157 -8.084 3.521 1.00 29.43 ? 439 VAL A CA 1 ATOM 729 C C . VAL A 1 98 ? 4.591 -8.624 2.164 1.00 30.41 ? 439 VAL A C 1 ATOM 730 O O . VAL A 1 98 ? 5.189 -7.906 1.357 1.00 29.21 ? 439 VAL A O 1 ATOM 731 C CB . VAL A 1 98 ? 2.613 -8.067 3.575 1.00 28.31 ? 439 VAL A CB 1 ATOM 732 C CG1 . VAL A 1 98 ? 2.143 -7.600 4.952 1.00 24.31 ? 439 VAL A CG1 1 ATOM 733 C CG2 . VAL A 1 98 ? 2.065 -7.164 2.466 1.00 26.17 ? 439 VAL A CG2 1 ATOM 734 N N . LYS A 1 99 ? 4.304 -9.896 1.918 1.00 31.69 ? 440 LYS A N 1 ATOM 735 C CA . LYS A 1 99 ? 4.654 -10.494 0.643 1.00 32.02 ? 440 LYS A CA 1 ATOM 736 C C . LYS A 1 99 ? 3.559 -10.142 -0.347 1.00 31.44 ? 440 LYS A C 1 ATOM 737 O O . LYS A 1 99 ? 2.385 -10.082 0.026 1.00 30.33 ? 440 LYS A O 1 ATOM 738 C CB . LYS A 1 99 ? 4.771 -12.009 0.791 1.00 32.11 ? 440 LYS A CB 1 ATOM 739 C CG . LYS A 1 99 ? 6.044 -12.456 1.480 1.00 32.27 ? 440 LYS A CG 1 ATOM 740 C CD . LYS A 1 99 ? 7.258 -12.090 0.634 1.00 33.53 ? 440 LYS A CD 1 ATOM 741 C CE . LYS A 1 99 ? 8.543 -12.645 1.220 1.00 34.57 ? 440 LYS A CE 1 ATOM 742 N NZ . LYS A 1 99 ? 8.558 -14.130 1.238 1.00 34.98 ? 440 LYS A NZ 1 ATOM 743 N N . LYS A 1 100 ? 3.934 -9.883 -1.596 1.00 32.38 ? 441 LYS A N 1 ATOM 744 C CA . LYS A 1 100 ? 2.929 -9.560 -2.599 1.00 35.00 ? 441 LYS A CA 1 ATOM 745 C C . LYS A 1 100 ? 2.028 -10.770 -2.814 1.00 35.81 ? 441 LYS A C 1 ATOM 746 O O . LYS A 1 100 ? 0.820 -10.630 -3.001 1.00 37.14 ? 441 LYS A O 1 ATOM 747 C CB . LYS A 1 100 ? 3.564 -9.173 -3.932 1.00 36.22 ? 441 LYS A CB 1 ATOM 748 C CG . LYS A 1 100 ? 2.510 -8.806 -4.975 1.00 39.45 ? 441 LYS A CG 1 ATOM 749 C CD . LYS A 1 100 ? 3.101 -8.429 -6.325 1.00 42.66 ? 441 LYS A CD 1 ATOM 750 C CE . LYS A 1 100 ? 3.540 -9.653 -7.122 1.00 46.16 ? 441 LYS A CE 1 ATOM 751 N NZ . LYS A 1 100 ? 4.108 -9.285 -8.465 1.00 48.46 ? 441 LYS A NZ 1 ATOM 752 N N . ALA A 1 101 ? 2.621 -11.957 -2.774 1.00 35.66 ? 442 ALA A N 1 ATOM 753 C CA . ALA A 1 101 ? 1.881 -13.194 -2.970 1.00 35.95 ? 442 ALA A CA 1 ATOM 754 C C . ALA A 1 101 ? 0.793 -13.395 -1.933 1.00 36.45 ? 442 ALA A C 1 ATOM 755 O O . ALA A 1 101 ? -0.149 -14.150 -2.149 1.00 37.58 ? 442 ALA A O 1 ATOM 756 C CB . ALA A 1 101 ? 2.829 -14.364 -2.945 1.00 35.92 ? 442 ALA A CB 1 ATOM 757 N N . ASN A 1 102 ? 0.924 -12.722 -0.801 1.00 37.99 ? 443 ASN A N 1 ATOM 758 C CA . ASN A 1 102 ? -0.058 -12.840 0.263 1.00 39.38 ? 443 ASN A CA 1 ATOM 759 C C . ASN A 1 102 ? -1.212 -11.891 -0.025 1.00 40.07 ? 443 ASN A C 1 ATOM 760 O O . ASN A 1 102 ? -1.472 -10.970 0.743 1.00 40.73 ? 443 ASN A O 1 ATOM 761 C CB . ASN A 1 102 ? 0.585 -12.469 1.590 1.00 41.53 ? 443 ASN A CB 1 ATOM 762 C CG . ASN A 1 102 ? -0.035 -13.188 2.753 1.00 42.78 ? 443 ASN A CG 1 ATOM 763 O OD1 . ASN A 1 102 ? -1.254 -13.247 2.888 1.00 44.28 ? 443 ASN A OD1 1 ATOM 764 N ND2 . ASN A 1 102 ? 0.807 -13.737 3.614 1.00 45.38 ? 443 ASN A ND2 1 ATOM 765 N N . GLU A 1 103 ? -1.899 -12.123 -1.136 1.00 40.79 ? 444 GLU A N 1 ATOM 766 C CA . GLU A 1 103 ? -3.012 -11.284 -1.555 1.00 40.50 ? 444 GLU A CA 1 ATOM 767 C C . GLU A 1 103 ? -4.076 -11.163 -0.490 1.00 40.63 ? 444 GLU A C 1 ATOM 768 O O . GLU A 1 103 ? -4.241 -12.050 0.341 1.00 41.65 ? 444 GLU A O 1 ATOM 769 C CB . GLU A 1 103 ? -3.619 -11.866 -2.825 1.00 41.35 ? 444 GLU A CB 1 ATOM 770 C CG . GLU A 1 103 ? -2.554 -12.266 -3.820 1.00 45.19 ? 444 GLU A CG 1 ATOM 771 C CD . GLU A 1 103 ? -2.943 -12.988 -5.082 1.00 49.37 ? 444 GLU A CD 1 ATOM 772 O OE1 . GLU A 1 103 ? -2.038 -13.497 -5.772 1.00 53.21 ? 444 GLU A OE1 1 ATOM 773 O OE2 . GLU A 1 103 ? -4.147 -13.045 -5.390 1.00 50.55 ? 444 GLU A OE2 1 ATOM 774 N N . GLY A 1 104 ? -4.793 -10.052 -0.508 1.00 41.38 ? 445 GLY A N 1 ATOM 775 C CA . GLY A 1 104 ? -5.855 -9.873 0.459 1.00 44.26 ? 445 GLY A CA 1 ATOM 776 C C . GLY A 1 104 ? -5.458 -9.458 1.865 1.00 46.15 ? 445 GLY A C 1 ATOM 777 O O . GLY A 1 104 ? -6.329 -9.098 2.658 1.00 47.92 ? 445 GLY A O 1 ATOM 778 N N . LEU A 1 105 ? -4.169 -9.505 2.193 1.00 45.12 ? 446 LEU A N 1 ATOM 779 C CA . LEU A 1 105 ? -3.727 -9.108 3.522 1.00 43.94 ? 446 LEU A CA 1 ATOM 780 C C . LEU A 1 105 ? -3.546 -7.589 3.604 1.00 44.88 ? 446 LEU A C 1 ATOM 781 O O . LEU A 1 105 ? -2.663 -7.039 2.948 1.00 46.95 ? 446 LEU A O 1 ATOM 782 C CB . LEU A 1 105 ? -2.415 -9.817 3.849 1.00 42.59 ? 446 LEU A CB 1 ATOM 783 C CG . LEU A 1 105 ? -1.731 -9.567 5.194 1.00 40.26 ? 446 LEU A CG 1 ATOM 784 C CD1 . LEU A 1 105 ? -2.723 -9.632 6.343 1.00 38.93 ? 446 LEU A CD1 1 ATOM 785 C CD2 . LEU A 1 105 ? -0.646 -10.610 5.361 1.00 41.81 ? 446 LEU A CD2 1 ATOM 786 N N . THR A 1 106 ? -4.381 -6.912 4.398 1.00 44.04 ? 447 THR A N 1 ATOM 787 C CA . THR A 1 106 ? -4.290 -5.454 4.554 1.00 43.45 ? 447 THR A CA 1 ATOM 788 C C . THR A 1 106 ? -4.154 -5.076 6.022 1.00 43.53 ? 447 THR A C 1 ATOM 789 O O . THR A 1 106 ? -4.101 -5.945 6.888 1.00 44.10 ? 447 THR A O 1 ATOM 790 C CB . THR A 1 106 ? -5.546 -4.724 4.012 1.00 43.54 ? 447 THR A CB 1 ATOM 791 O OG1 . THR A 1 106 ? -6.680 -5.038 4.833 1.00 43.34 ? 447 THR A OG1 1 ATOM 792 C CG2 . THR A 1 106 ? -5.828 -5.130 2.575 1.00 43.20 ? 447 THR A CG2 1 ATOM 793 N N . TRP A 1 107 ? -4.106 -3.776 6.296 1.00 42.82 ? 448 TRP A N 1 ATOM 794 C CA . TRP A 1 107 ? -4.004 -3.296 7.665 1.00 42.50 ? 448 TRP A CA 1 ATOM 795 C C . TRP A 1 107 ? -5.219 -3.780 8.441 1.00 42.77 ? 448 TRP A C 1 ATOM 796 O O . TRP A 1 107 ? -5.142 -4.080 9.634 1.00 42.53 ? 448 TRP A O 1 ATOM 797 C CB . TRP A 1 107 ? -3.971 -1.765 7.707 1.00 43.70 ? 448 TRP A CB 1 ATOM 798 C CG . TRP A 1 107 ? -3.794 -1.270 9.101 1.00 46.04 ? 448 TRP A CG 1 ATOM 799 C CD1 . TRP A 1 107 ? -4.769 -0.838 9.963 1.00 45.11 ? 448 TRP A CD1 1 ATOM 800 C CD2 . TRP A 1 107 ? -2.586 -1.316 9.856 1.00 46.23 ? 448 TRP A CD2 1 ATOM 801 N NE1 . TRP A 1 107 ? -4.236 -0.628 11.212 1.00 44.28 ? 448 TRP A NE1 1 ATOM 802 C CE2 . TRP A 1 107 ? -2.897 -0.916 11.175 1.00 46.54 ? 448 TRP A CE2 1 ATOM 803 C CE3 . TRP A 1 107 ? -1.267 -1.671 9.547 1.00 46.74 ? 448 TRP A CE3 1 ATOM 804 C CZ2 . TRP A 1 107 ? -1.932 -0.857 12.186 1.00 47.10 ? 448 TRP A CZ2 1 ATOM 805 C CZ3 . TRP A 1 107 ? -0.309 -1.614 10.548 1.00 47.31 ? 448 TRP A CZ3 1 ATOM 806 C CH2 . TRP A 1 107 ? -0.648 -1.212 11.855 1.00 48.03 ? 448 TRP A CH2 1 ATOM 807 N N . ASN A 1 108 ? -6.340 -3.862 7.736 1.00 43.30 ? 449 ASN A N 1 ATOM 808 C CA . ASN A 1 108 ? -7.607 -4.280 8.315 1.00 43.24 ? 449 ASN A CA 1 ATOM 809 C C . ASN A 1 108 ? -7.746 -5.777 8.576 1.00 42.01 ? 449 ASN A C 1 ATOM 810 O O . ASN A 1 108 ? -8.707 -6.199 9.211 1.00 43.12 ? 449 ASN A O 1 ATOM 811 C CB . ASN A 1 108 ? -8.738 -3.811 7.407 1.00 44.84 ? 449 ASN A CB 1 ATOM 812 C CG . ASN A 1 108 ? -8.758 -2.305 7.241 1.00 47.07 ? 449 ASN A CG 1 ATOM 813 O OD1 . ASN A 1 108 ? -9.295 -1.785 6.269 1.00 48.75 ? 449 ASN A OD1 1 ATOM 814 N ND2 . ASN A 1 108 ? -8.176 -1.595 8.200 1.00 47.83 ? 449 ASN A ND2 1 ATOM 815 N N . SER A 1 109 ? -6.802 -6.582 8.104 1.00 39.78 ? 450 SER A N 1 ATOM 816 C CA . SER A 1 109 ? -6.902 -8.019 8.322 1.00 39.72 ? 450 SER A CA 1 ATOM 817 C C . SER A 1 109 ? -5.663 -8.600 9.000 1.00 41.60 ? 450 SER A C 1 ATOM 818 O O . SER A 1 109 ? -5.270 -9.743 8.737 1.00 42.63 ? 450 SER A O 1 ATOM 819 C CB . SER A 1 109 ? -7.152 -8.739 6.993 1.00 38.50 ? 450 SER A CB 1 ATOM 820 O OG . SER A 1 109 ? -6.069 -8.580 6.092 1.00 38.03 ? 450 SER A OG 1 ATOM 821 N N . LEU A 1 110 ? -5.056 -7.821 9.890 1.00 41.44 ? 451 LEU A N 1 ATOM 822 C CA . LEU A 1 110 ? -3.866 -8.282 10.586 1.00 40.01 ? 451 LEU A CA 1 ATOM 823 C C . LEU A 1 110 ? -4.159 -9.147 11.803 1.00 39.94 ? 451 LEU A C 1 ATOM 824 O O . LEU A 1 110 ? -3.308 -9.936 12.217 1.00 39.87 ? 451 LEU A O 1 ATOM 825 C CB . LEU A 1 110 ? -2.999 -7.095 11.012 1.00 38.49 ? 451 LEU A CB 1 ATOM 826 C CG . LEU A 1 110 ? -2.186 -6.455 9.891 1.00 38.65 ? 451 LEU A CG 1 ATOM 827 C CD1 . LEU A 1 110 ? -1.297 -5.370 10.463 1.00 37.17 ? 451 LEU A CD1 1 ATOM 828 C CD2 . LEU A 1 110 ? -1.351 -7.517 9.196 1.00 37.29 ? 451 LEU A CD2 1 ATOM 829 N N . LYS A 1 111 ? -5.351 -9.037 12.374 1.00 38.97 ? 452 LYS A N 1 ATOM 830 C CA . LYS A 1 111 ? -5.620 -9.836 13.556 1.00 39.95 ? 452 LYS A CA 1 ATOM 831 C C . LYS A 1 111 ? -5.416 -11.339 13.347 1.00 40.22 ? 452 LYS A C 1 ATOM 832 O O . LYS A 1 111 ? -5.783 -11.902 12.319 1.00 40.58 ? 452 LYS A O 1 ATOM 833 C CB . LYS A 1 111 ? -7.021 -9.565 14.099 1.00 40.63 ? 452 LYS A CB 1 ATOM 834 C CG . LYS A 1 111 ? -7.096 -9.888 15.574 1.00 43.04 ? 452 LYS A CG 1 ATOM 835 C CD . LYS A 1 111 ? -8.480 -9.748 16.150 1.00 48.53 ? 452 LYS A CD 1 ATOM 836 C CE . LYS A 1 111 ? -8.830 -11.003 16.940 1.00 51.55 ? 452 LYS A CE 1 ATOM 837 N NZ . LYS A 1 111 ? -7.711 -11.424 17.841 1.00 52.49 ? 452 LYS A NZ 1 ATOM 838 N N . ASP A 1 112 ? -4.808 -11.973 14.344 1.00 40.83 ? 453 ASP A N 1 ATOM 839 C CA . ASP A 1 112 ? -4.518 -13.401 14.332 1.00 41.60 ? 453 ASP A CA 1 ATOM 840 C C . ASP A 1 112 ? -3.526 -13.843 13.259 1.00 41.09 ? 453 ASP A C 1 ATOM 841 O O . ASP A 1 112 ? -3.408 -15.029 12.938 1.00 40.00 ? 453 ASP A O 1 ATOM 842 C CB . ASP A 1 112 ? -5.817 -14.184 14.242 1.00 43.64 ? 453 ASP A CB 1 ATOM 843 C CG . ASP A 1 112 ? -6.695 -13.952 15.448 1.00 47.74 ? 453 ASP A CG 1 ATOM 844 O OD1 . ASP A 1 112 ? -7.909 -14.226 15.369 1.00 51.95 ? 453 ASP A OD1 1 ATOM 845 O OD2 . ASP A 1 112 ? -6.167 -13.492 16.485 1.00 49.75 ? 453 ASP A OD2 1 ATOM 846 N N . LYS A 1 113 ? -2.798 -12.874 12.722 1.00 39.21 ? 454 LYS A N 1 ATOM 847 C CA . LYS A 1 113 ? -1.774 -13.149 11.731 1.00 37.04 ? 454 LYS A CA 1 ATOM 848 C C . LYS A 1 113 ? -0.439 -13.285 12.482 1.00 35.21 ? 454 LYS A C 1 ATOM 849 O O . LYS A 1 113 ? -0.394 -13.208 13.716 1.00 33.90 ? 454 LYS A O 1 ATOM 850 C CB . LYS A 1 113 ? -1.715 -12.003 10.716 1.00 39.85 ? 454 LYS A CB 1 ATOM 851 C CG . LYS A 1 113 ? -2.922 -11.952 9.781 1.00 41.74 ? 454 LYS A CG 1 ATOM 852 C CD . LYS A 1 113 ? -2.890 -13.124 8.816 1.00 42.65 ? 454 LYS A CD 1 ATOM 853 C CE . LYS A 1 113 ? -4.272 -13.447 8.308 1.00 43.90 ? 454 LYS A CE 1 ATOM 854 N NZ . LYS A 1 113 ? -5.125 -13.897 9.438 1.00 46.73 ? 454 LYS A NZ 1 ATOM 855 N N . LYS A 1 114 ? 0.642 -13.488 11.739 1.00 32.46 ? 455 LYS A N 1 ATOM 856 C CA . LYS A 1 114 ? 1.964 -13.639 12.336 1.00 31.00 ? 455 LYS A CA 1 ATOM 857 C C . LYS A 1 114 ? 2.852 -12.435 12.030 1.00 29.77 ? 455 LYS A C 1 ATOM 858 O O . LYS A 1 114 ? 3.059 -12.077 10.880 1.00 27.96 ? 455 LYS A O 1 ATOM 859 C CB . LYS A 1 114 ? 2.604 -14.937 11.843 1.00 30.86 ? 455 LYS A CB 1 ATOM 860 C CG . LYS A 1 114 ? 1.810 -16.176 12.258 1.00 32.09 ? 455 LYS A CG 1 ATOM 861 C CD . LYS A 1 114 ? 2.461 -17.451 11.763 1.00 35.14 ? 455 LYS A CD 1 ATOM 862 C CE . LYS A 1 114 ? 2.511 -17.482 10.244 1.00 38.31 ? 455 LYS A CE 1 ATOM 863 N NZ . LYS A 1 114 ? 3.260 -18.661 9.731 1.00 40.03 ? 455 LYS A NZ 1 ATOM 864 N N . SER A 1 115 ? 3.381 -11.823 13.086 1.00 31.17 ? 456 SER A N 1 ATOM 865 C CA . SER A 1 115 ? 4.207 -10.622 12.972 1.00 31.10 ? 456 SER A CA 1 ATOM 866 C C . SER A 1 115 ? 5.688 -10.749 13.307 1.00 31.80 ? 456 SER A C 1 ATOM 867 O O . SER A 1 115 ? 6.123 -11.645 14.042 1.00 30.84 ? 456 SER A O 1 ATOM 868 C CB . SER A 1 115 ? 3.613 -9.513 13.841 1.00 32.22 ? 456 SER A CB 1 ATOM 869 O OG . SER A 1 115 ? 3.514 -9.926 15.193 1.00 31.24 ? 456 SER A OG 1 ATOM 870 N N . CYS A 1 116 ? 6.452 -9.812 12.753 1.00 31.82 ? 457 CYS A N 1 ATOM 871 C CA . CYS A 1 116 ? 7.887 -9.738 12.953 1.00 29.58 ? 457 CYS A CA 1 ATOM 872 C C . CYS A 1 116 ? 8.182 -8.327 13.422 1.00 29.56 ? 457 CYS A C 1 ATOM 873 O O . CYS A 1 116 ? 8.054 -7.369 12.662 1.00 29.67 ? 457 CYS A O 1 ATOM 874 C CB . CYS A 1 116 ? 8.625 -9.978 11.645 1.00 29.68 ? 457 CYS A CB 1 ATOM 875 S SG . CYS A 1 116 ? 8.304 -11.544 10.777 1.00 34.19 ? 457 CYS A SG 1 ATOM 876 N N . HIS A 1 117 ? 8.568 -8.204 14.683 1.00 30.14 ? 458 HIS A N 1 ATOM 877 C CA . HIS A 1 117 ? 8.888 -6.914 15.273 1.00 29.13 ? 458 HIS A CA 1 ATOM 878 C C . HIS A 1 117 ? 10.396 -6.879 15.471 1.00 28.43 ? 458 HIS A C 1 ATOM 879 O O . HIS A 1 117 ? 11.011 -7.918 15.686 1.00 27.69 ? 458 HIS A O 1 ATOM 880 C CB . HIS A 1 117 ? 8.165 -6.781 16.609 1.00 28.91 ? 458 HIS A CB 1 ATOM 881 C CG . HIS A 1 117 ? 6.689 -7.016 16.518 1.00 28.24 ? 458 HIS A CG 1 ATOM 882 N ND1 . HIS A 1 117 ? 5.778 -5.992 16.388 1.00 27.44 ? 458 HIS A ND1 1 ATOM 883 C CD2 . HIS A 1 117 ? 5.968 -8.160 16.539 1.00 28.64 ? 458 HIS A CD2 1 ATOM 884 C CE1 . HIS A 1 117 ? 4.558 -6.495 16.336 1.00 29.60 ? 458 HIS A CE1 1 ATOM 885 N NE2 . HIS A 1 117 ? 4.645 -7.808 16.426 1.00 29.22 ? 458 HIS A NE2 1 ATOM 886 N N . THR A 1 118 ? 10.998 -5.698 15.375 1.00 28.32 ? 459 THR A N 1 ATOM 887 C CA . THR A 1 118 ? 12.442 -5.577 15.552 1.00 28.27 ? 459 THR A CA 1 ATOM 888 C C . THR A 1 118 ? 12.842 -5.962 16.974 1.00 28.91 ? 459 THR A C 1 ATOM 889 O O . THR A 1 118 ? 13.807 -6.697 17.176 1.00 27.70 ? 459 THR A O 1 ATOM 890 C CB . THR A 1 118 ? 12.920 -4.146 15.296 1.00 26.49 ? 459 THR A CB 1 ATOM 891 O OG1 . THR A 1 118 ? 12.132 -3.244 16.075 1.00 27.48 ? 459 THR A OG1 1 ATOM 892 C CG2 . THR A 1 118 ? 12.793 -3.792 13.834 1.00 26.66 ? 459 THR A CG2 1 ATOM 893 N N . ALA A 1 119 ? 12.091 -5.453 17.950 1.00 27.67 ? 460 ALA A N 1 ATOM 894 C CA . ALA A 1 119 ? 12.342 -5.719 19.362 1.00 26.65 ? 460 ALA A CA 1 ATOM 895 C C . ALA A 1 119 ? 11.372 -4.893 20.188 1.00 26.62 ? 460 ALA A C 1 ATOM 896 O O . ALA A 1 119 ? 11.042 -3.769 19.818 1.00 28.67 ? 460 ALA A O 1 ATOM 897 C CB . ALA A 1 119 ? 13.763 -5.346 19.721 1.00 24.80 ? 460 ALA A CB 1 ATOM 898 N N . VAL A 1 120 ? 10.906 -5.455 21.296 1.00 25.91 ? 461 VAL A N 1 ATOM 899 C CA . VAL A 1 120 ? 9.986 -4.750 22.175 1.00 26.74 ? 461 VAL A CA 1 ATOM 900 C C . VAL A 1 120 ? 10.595 -3.396 22.542 1.00 27.43 ? 461 VAL A C 1 ATOM 901 O O . VAL A 1 120 ? 11.805 -3.287 22.726 1.00 29.47 ? 461 VAL A O 1 ATOM 902 C CB . VAL A 1 120 ? 9.733 -5.573 23.461 1.00 28.05 ? 461 VAL A CB 1 ATOM 903 C CG1 . VAL A 1 120 ? 8.964 -4.753 24.472 1.00 28.52 ? 461 VAL A CG1 1 ATOM 904 C CG2 . VAL A 1 120 ? 8.958 -6.835 23.117 1.00 29.69 ? 461 VAL A CG2 1 ATOM 905 N N . ASP A 1 121 ? 9.759 -2.366 22.616 1.00 27.91 ? 462 ASP A N 1 ATOM 906 C CA . ASP A 1 121 ? 10.189 -1.017 22.971 1.00 27.63 ? 462 ASP A CA 1 ATOM 907 C C . ASP A 1 121 ? 10.862 -0.161 21.897 1.00 27.24 ? 462 ASP A C 1 ATOM 908 O O . ASP A 1 121 ? 11.277 0.966 22.171 1.00 26.22 ? 462 ASP A O 1 ATOM 909 C CB . ASP A 1 121 ? 11.079 -1.053 24.215 1.00 27.61 ? 462 ASP A CB 1 ATOM 910 C CG . ASP A 1 121 ? 10.277 -1.115 25.494 1.00 31.10 ? 462 ASP A CG 1 ATOM 911 O OD1 . ASP A 1 121 ? 9.064 -0.808 25.445 1.00 33.14 ? 462 ASP A OD1 1 ATOM 912 O OD2 . ASP A 1 121 ? 10.858 -1.452 26.550 1.00 33.45 ? 462 ASP A OD2 1 ATOM 913 N N . ARG A 1 122 ? 10.976 -0.668 20.679 1.00 26.87 ? 463 ARG A N 1 ATOM 914 C CA . ARG A 1 122 ? 11.587 0.139 19.629 1.00 27.07 ? 463 ARG A CA 1 ATOM 915 C C . ARG A 1 122 ? 10.544 0.932 18.822 1.00 26.28 ? 463 ARG A C 1 ATOM 916 O O . ARG A 1 122 ? 9.361 0.594 18.809 1.00 27.47 ? 463 ARG A O 1 ATOM 917 C CB . ARG A 1 122 ? 12.463 -0.748 18.749 1.00 27.06 ? 463 ARG A CB 1 ATOM 918 C CG . ARG A 1 122 ? 13.677 -1.230 19.527 1.00 29.74 ? 463 ARG A CG 1 ATOM 919 C CD . ARG A 1 122 ? 14.668 -2.028 18.699 1.00 32.01 ? 463 ARG A CD 1 ATOM 920 N NE . ARG A 1 122 ? 15.132 -1.305 17.521 1.00 34.82 ? 463 ARG A NE 1 ATOM 921 C CZ . ARG A 1 122 ? 16.180 -1.665 16.786 1.00 35.71 ? 463 ARG A CZ 1 ATOM 922 N NH1 . ARG A 1 122 ? 16.882 -2.739 17.116 1.00 35.97 ? 463 ARG A NH1 1 ATOM 923 N NH2 . ARG A 1 122 ? 16.512 -0.966 15.710 1.00 36.11 ? 463 ARG A NH2 1 ATOM 924 N N . THR A 1 123 ? 10.980 1.996 18.163 1.00 25.33 ? 464 THR A N 1 ATOM 925 C CA . THR A 1 123 ? 10.063 2.855 17.420 1.00 25.31 ? 464 THR A CA 1 ATOM 926 C C . THR A 1 123 ? 9.213 2.216 16.312 1.00 26.73 ? 464 THR A C 1 ATOM 927 O O . THR A 1 123 ? 7.982 2.198 16.401 1.00 27.25 ? 464 THR A O 1 ATOM 928 C CB . THR A 1 123 ? 10.817 4.069 16.834 1.00 23.21 ? 464 THR A CB 1 ATOM 929 O OG1 . THR A 1 123 ? 11.351 4.861 17.903 1.00 22.25 ? 464 THR A OG1 1 ATOM 930 C CG2 . THR A 1 123 ? 9.879 4.928 16.002 1.00 21.42 ? 464 THR A CG2 1 ATOM 931 N N . ALA A 1 124 ? 9.859 1.702 15.272 1.00 27.13 ? 465 ALA A N 1 ATOM 932 C CA . ALA A 1 124 ? 9.147 1.101 14.147 1.00 28.01 ? 465 ALA A CA 1 ATOM 933 C C . ALA A 1 124 ? 8.718 -0.340 14.389 1.00 29.00 ? 465 ALA A C 1 ATOM 934 O O . ALA A 1 124 ? 7.735 -0.806 13.805 1.00 32.40 ? 465 ALA A O 1 ATOM 935 C CB . ALA A 1 124 ? 10.012 1.178 12.890 1.00 25.72 ? 465 ALA A CB 1 ATOM 936 N N . GLY A 1 125 ? 9.441 -1.042 15.252 1.00 27.07 ? 466 GLY A N 1 ATOM 937 C CA . GLY A 1 125 ? 9.113 -2.430 15.497 1.00 26.94 ? 466 GLY A CA 1 ATOM 938 C C . GLY A 1 125 ? 8.057 -2.688 16.548 1.00 26.93 ? 466 GLY A C 1 ATOM 939 O O . GLY A 1 125 ? 7.356 -3.704 16.492 1.00 25.19 ? 466 GLY A O 1 ATOM 940 N N . TRP A 1 126 ? 7.930 -1.779 17.508 1.00 26.38 ? 467 TRP A N 1 ATOM 941 C CA . TRP A 1 126 ? 6.952 -1.974 18.564 1.00 26.06 ? 467 TRP A CA 1 ATOM 942 C C . TRP A 1 126 ? 6.030 -0.791 18.790 1.00 26.19 ? 467 TRP A C 1 ATOM 943 O O . TRP A 1 126 ? 4.860 -0.834 18.414 1.00 24.51 ? 467 TRP A O 1 ATOM 944 C CB . TRP A 1 126 ? 7.655 -2.320 19.883 1.00 24.83 ? 467 TRP A CB 1 ATOM 945 C CG . TRP A 1 126 ? 6.728 -2.841 20.942 1.00 23.00 ? 467 TRP A CG 1 ATOM 946 C CD1 . TRP A 1 126 ? 6.219 -2.152 21.999 1.00 22.42 ? 467 TRP A CD1 1 ATOM 947 C CD2 . TRP A 1 126 ? 6.178 -4.162 21.019 1.00 24.02 ? 467 TRP A CD2 1 ATOM 948 N NE1 . TRP A 1 126 ? 5.382 -2.963 22.735 1.00 25.01 ? 467 TRP A NE1 1 ATOM 949 C CE2 . TRP A 1 126 ? 5.338 -4.203 22.152 1.00 24.09 ? 467 TRP A CE2 1 ATOM 950 C CE3 . TRP A 1 126 ? 6.308 -5.317 20.231 1.00 25.42 ? 467 TRP A CE3 1 ATOM 951 C CZ2 . TRP A 1 126 ? 4.635 -5.355 22.522 1.00 22.36 ? 467 TRP A CZ2 1 ATOM 952 C CZ3 . TRP A 1 126 ? 5.608 -6.460 20.597 1.00 23.94 ? 467 TRP A CZ3 1 ATOM 953 C CH2 . TRP A 1 126 ? 4.780 -6.468 21.731 1.00 23.92 ? 467 TRP A CH2 1 ATOM 954 N N . ASN A 1 127 ? 6.574 0.259 19.397 1.00 26.43 ? 468 ASN A N 1 ATOM 955 C CA . ASN A 1 127 ? 5.816 1.448 19.740 1.00 26.53 ? 468 ASN A CA 1 ATOM 956 C C . ASN A 1 127 ? 4.832 1.994 18.731 1.00 27.76 ? 468 ASN A C 1 ATOM 957 O O . ASN A 1 127 ? 3.662 2.169 19.061 1.00 29.99 ? 468 ASN A O 1 ATOM 958 C CB . ASN A 1 127 ? 6.762 2.558 20.193 1.00 27.12 ? 468 ASN A CB 1 ATOM 959 C CG . ASN A 1 127 ? 7.485 2.204 21.480 1.00 28.89 ? 468 ASN A CG 1 ATOM 960 O OD1 . ASN A 1 127 ? 7.025 1.363 22.252 1.00 29.72 ? 468 ASN A OD1 1 ATOM 961 N ND2 . ASN A 1 127 ? 8.617 2.847 21.721 1.00 28.58 ? 468 ASN A ND2 1 ATOM 962 N N . ILE A 1 128 ? 5.266 2.272 17.509 1.00 27.80 ? 469 ILE A N 1 ATOM 963 C CA . ILE A 1 128 ? 4.319 2.813 16.545 1.00 26.87 ? 469 ILE A CA 1 ATOM 964 C C . ILE A 1 128 ? 3.204 1.822 16.186 1.00 28.53 ? 469 ILE A C 1 ATOM 965 O O . ILE A 1 128 ? 2.026 2.108 16.394 1.00 29.20 ? 469 ILE A O 1 ATOM 966 C CB . ILE A 1 128 ? 5.043 3.333 15.265 1.00 25.82 ? 469 ILE A CB 1 ATOM 967 C CG1 . ILE A 1 128 ? 5.460 4.791 15.460 1.00 26.16 ? 469 ILE A CG1 1 ATOM 968 C CG2 . ILE A 1 128 ? 4.121 3.284 14.061 1.00 23.34 ? 469 ILE A CG2 1 ATOM 969 C CD1 . ILE A 1 128 ? 6.557 5.000 16.445 1.00 30.55 ? 469 ILE A CD1 1 ATOM 970 N N . PRO A 1 129 ? 3.556 0.630 15.682 1.00 30.10 ? 470 PRO A N 1 ATOM 971 C CA . PRO A 1 129 ? 2.520 -0.338 15.319 1.00 30.51 ? 470 PRO A CA 1 ATOM 972 C C . PRO A 1 129 ? 1.565 -0.781 16.434 1.00 31.54 ? 470 PRO A C 1 ATOM 973 O O . PRO A 1 129 ? 0.356 -0.768 16.228 1.00 32.56 ? 470 PRO A O 1 ATOM 974 C CB . PRO A 1 129 ? 3.326 -1.490 14.720 1.00 31.10 ? 470 PRO A CB 1 ATOM 975 C CG . PRO A 1 129 ? 4.608 -1.430 15.466 1.00 31.85 ? 470 PRO A CG 1 ATOM 976 C CD . PRO A 1 129 ? 4.898 0.049 15.497 1.00 32.13 ? 470 PRO A CD 1 ATOM 977 N N . MET A 1 130 ? 2.083 -1.170 17.602 1.00 32.51 ? 471 MET A N 1 ATOM 978 C CA . MET A 1 130 ? 1.221 -1.605 18.717 1.00 32.67 ? 471 MET A CA 1 ATOM 979 C C . MET A 1 130 ? 0.426 -0.454 19.318 1.00 33.03 ? 471 MET A C 1 ATOM 980 O O . MET A 1 130 ? -0.631 -0.663 19.902 1.00 33.23 ? 471 MET A O 1 ATOM 981 C CB . MET A 1 130 ? 2.038 -2.269 19.828 1.00 31.92 ? 471 MET A CB 1 ATOM 982 C CG . MET A 1 130 ? 2.817 -3.472 19.368 1.00 34.18 ? 471 MET A CG 1 ATOM 983 S SD . MET A 1 130 ? 1.795 -4.648 18.458 1.00 37.44 ? 471 MET A SD 1 ATOM 984 C CE . MET A 1 130 ? 1.516 -5.870 19.696 1.00 37.99 ? 471 MET A CE 1 ATOM 985 N N . GLY A 1 131 ? 0.955 0.758 19.193 1.00 33.34 ? 472 GLY A N 1 ATOM 986 C CA . GLY A 1 131 ? 0.257 1.920 19.701 1.00 32.97 ? 472 GLY A CA 1 ATOM 987 C C . GLY A 1 131 ? -0.965 2.147 18.829 1.00 34.15 ? 472 GLY A C 1 ATOM 988 O O . GLY A 1 131 ? -2.068 2.380 19.332 1.00 34.43 ? 472 GLY A O 1 ATOM 989 N N . LEU A 1 132 ? -0.776 2.079 17.514 1.00 34.23 ? 473 LEU A N 1 ATOM 990 C CA . LEU A 1 132 ? -1.890 2.256 16.588 1.00 35.56 ? 473 LEU A CA 1 ATOM 991 C C . LEU A 1 132 ? -2.904 1.141 16.842 1.00 36.16 ? 473 LEU A C 1 ATOM 992 O O . LEU A 1 132 ? -4.100 1.389 16.959 1.00 37.34 ? 473 LEU A O 1 ATOM 993 C CB . LEU A 1 132 ? -1.407 2.181 15.139 1.00 33.88 ? 473 LEU A CB 1 ATOM 994 C CG . LEU A 1 132 ? -0.394 3.231 14.697 1.00 33.61 ? 473 LEU A CG 1 ATOM 995 C CD1 . LEU A 1 132 ? 0.206 2.836 13.364 1.00 34.49 ? 473 LEU A CD1 1 ATOM 996 C CD2 . LEU A 1 132 ? -1.066 4.580 14.615 1.00 35.13 ? 473 LEU A CD2 1 ATOM 997 N N . ILE A 1 133 ? -2.412 -0.087 16.944 1.00 35.55 ? 474 ILE A N 1 ATOM 998 C CA . ILE A 1 133 ? -3.269 -1.240 17.177 1.00 36.36 ? 474 ILE A CA 1 ATOM 999 C C . ILE A 1 133 ? -4.072 -1.185 18.476 1.00 38.54 ? 474 ILE A C 1 ATOM 1000 O O . ILE A 1 133 ? -5.230 -1.589 18.492 1.00 39.51 ? 474 ILE A O 1 ATOM 1001 C CB . ILE A 1 133 ? -2.443 -2.550 17.150 1.00 35.76 ? 474 ILE A CB 1 ATOM 1002 C CG1 . ILE A 1 133 ? -2.007 -2.862 15.716 1.00 34.83 ? 474 ILE A CG1 1 ATOM 1003 C CG2 . ILE A 1 133 ? -3.251 -3.693 17.716 1.00 34.37 ? 474 ILE A CG2 1 ATOM 1004 C CD1 . ILE A 1 133 ? -1.033 -4.010 15.607 1.00 33.00 ? 474 ILE A CD1 1 ATOM 1005 N N . VAL A 1 134 ? -3.473 -0.712 19.565 1.00 40.23 ? 475 VAL A N 1 ATOM 1006 C CA . VAL A 1 134 ? -4.198 -0.630 20.837 1.00 41.28 ? 475 VAL A CA 1 ATOM 1007 C C . VAL A 1 134 ? -5.313 0.386 20.671 1.00 42.61 ? 475 VAL A C 1 ATOM 1008 O O . VAL A 1 134 ? -6.459 0.135 21.032 1.00 42.92 ? 475 VAL A O 1 ATOM 1009 C CB . VAL A 1 134 ? -3.279 -0.184 21.999 1.00 41.13 ? 475 VAL A CB 1 ATOM 1010 C CG1 . VAL A 1 134 ? -4.114 0.240 23.203 1.00 37.33 ? 475 VAL A CG1 1 ATOM 1011 C CG2 . VAL A 1 134 ? -2.355 -1.324 22.386 1.00 39.67 ? 475 VAL A CG2 1 ATOM 1012 N N . ASN A 1 135 ? -4.948 1.542 20.134 1.00 44.65 ? 476 ASN A N 1 ATOM 1013 C CA . ASN A 1 135 ? -5.880 2.627 19.848 1.00 47.49 ? 476 ASN A CA 1 ATOM 1014 C C . ASN A 1 135 ? -7.099 2.100 19.158 1.00 48.76 ? 476 ASN A C 1 ATOM 1015 O O . ASN A 1 135 ? -8.245 2.276 19.590 1.00 49.26 ? 476 ASN A O 1 ATOM 1016 C CB . ASN A 1 135 ? -5.284 3.557 18.826 1.00 49.49 ? 476 ASN A CB 1 ATOM 1017 C CG . ASN A 1 135 ? -4.645 4.736 19.426 1.00 50.03 ? 476 ASN A CG 1 ATOM 1018 O OD1 . ASN A 1 135 ? -4.520 4.847 20.648 1.00 43.43 ? 476 ASN A OD1 1 ATOM 1019 N ND2 . ASN A 1 135 ? -4.221 5.655 18.563 1.00 51.52 ? 476 ASN A ND2 1 ATOM 1020 N N . GLN A 1 136 ? -6.793 1.509 18.010 1.00 49.10 ? 477 GLN A N 1 ATOM 1021 C CA . GLN A 1 136 ? -7.774 0.961 17.114 1.00 48.79 ? 477 GLN A CA 1 ATOM 1022 C C . GLN A 1 136 ? -8.665 -0.094 17.712 1.00 48.90 ? 477 GLN A C 1 ATOM 1023 O O . GLN A 1 136 ? -9.839 -0.156 17.377 1.00 50.96 ? 477 GLN A O 1 ATOM 1024 C CB . GLN A 1 136 ? -7.082 0.451 15.853 1.00 48.35 ? 477 GLN A CB 1 ATOM 1025 C CG . GLN A 1 136 ? -6.882 1.546 14.812 1.00 49.30 ? 477 GLN A CG 1 ATOM 1026 C CD . GLN A 1 136 ? -5.955 1.127 13.690 1.00 49.91 ? 477 GLN A CD 1 ATOM 1027 O OE1 . GLN A 1 136 ? -5.868 -0.054 13.355 1.00 50.72 ? 477 GLN A OE1 1 ATOM 1028 N NE2 . GLN A 1 136 ? -5.264 2.098 13.094 1.00 47.48 ? 477 GLN A NE2 1 ATOM 1029 N N . THR A 1 137 ? -8.139 -0.918 18.604 1.00 48.60 ? 478 THR A N 1 ATOM 1030 C CA . THR A 1 137 ? -8.989 -1.932 19.202 1.00 49.15 ? 478 THR A CA 1 ATOM 1031 C C . THR A 1 137 ? -9.486 -1.498 20.568 1.00 50.61 ? 478 THR A C 1 ATOM 1032 O O . THR A 1 137 ? -10.236 -2.226 21.206 1.00 50.85 ? 478 THR A O 1 ATOM 1033 C CB . THR A 1 137 ? -8.266 -3.281 19.375 1.00 48.52 ? 478 THR A CB 1 ATOM 1034 O OG1 . THR A 1 137 ? -7.385 -3.220 20.502 1.00 49.16 ? 478 THR A OG1 1 ATOM 1035 C CG2 . THR A 1 137 ? -7.471 -3.619 18.137 1.00 46.84 ? 478 THR A CG2 1 ATOM 1036 N N . GLY A 1 138 ? -9.067 -0.314 21.012 1.00 52.64 ? 479 GLY A N 1 ATOM 1037 C CA . GLY A 1 138 ? -9.476 0.178 22.317 1.00 54.05 ? 479 GLY A CA 1 ATOM 1038 C C . GLY A 1 138 ? -9.229 -0.862 23.392 1.00 55.35 ? 479 GLY A C 1 ATOM 1039 O O . GLY A 1 138 ? -10.012 -1.005 24.332 1.00 57.06 ? 479 GLY A O 1 ATOM 1040 N N . SER A 1 139 ? -8.129 -1.592 23.253 1.00 56.14 ? 480 SER A N 1 ATOM 1041 C CA . SER A 1 139 ? -7.784 -2.642 24.196 1.00 56.39 ? 480 SER A CA 1 ATOM 1042 C C . SER A 1 139 ? -6.283 -2.750 24.421 1.00 56.84 ? 480 SER A C 1 ATOM 1043 O O . SER A 1 139 ? -5.493 -2.579 23.496 1.00 57.64 ? 480 SER A O 1 ATOM 1044 C CB . SER A 1 139 ? -8.314 -3.977 23.683 1.00 56.51 ? 480 SER A CB 1 ATOM 1045 O OG . SER A 1 139 ? -7.796 -5.057 24.438 1.00 56.79 ? 480 SER A OG 1 ATOM 1046 N N . CYS A 1 140 ? -5.905 -3.048 25.659 1.00 56.89 ? 481 CYS A N 1 ATOM 1047 C CA . CYS A 1 140 ? -4.506 -3.194 26.045 1.00 57.26 ? 481 CYS A CA 1 ATOM 1048 C C . CYS A 1 140 ? -3.987 -4.611 25.865 1.00 57.08 ? 481 CYS A C 1 ATOM 1049 O O . CYS A 1 140 ? -2.812 -4.882 26.114 1.00 56.71 ? 481 CYS A O 1 ATOM 1050 C CB . CYS A 1 140 ? -4.319 -2.810 27.508 1.00 58.44 ? 481 CYS A CB 1 ATOM 1051 S SG . CYS A 1 140 ? -4.080 -1.037 27.798 1.00 59.44 ? 481 CYS A SG 1 ATOM 1052 N N . ALA A 1 141 ? -4.862 -5.515 25.445 1.00 56.80 ? 482 ALA A N 1 ATOM 1053 C CA . ALA A 1 141 ? -4.477 -6.905 25.263 1.00 57.21 ? 482 ALA A CA 1 ATOM 1054 C C . ALA A 1 141 ? -3.654 -7.120 23.998 1.00 57.44 ? 482 ALA A C 1 ATOM 1055 O O . ALA A 1 141 ? -3.903 -8.059 23.246 1.00 57.89 ? 482 ALA A O 1 ATOM 1056 C CB . ALA A 1 141 ? -5.722 -7.784 25.233 1.00 57.59 ? 482 ALA A CB 1 ATOM 1057 N N . PHE A 1 142 ? -2.667 -6.261 23.764 1.00 56.70 ? 483 PHE A N 1 ATOM 1058 C CA . PHE A 1 142 ? -1.835 -6.401 22.575 1.00 56.22 ? 483 PHE A CA 1 ATOM 1059 C C . PHE A 1 142 ? -1.028 -7.705 22.587 1.00 55.72 ? 483 PHE A C 1 ATOM 1060 O O . PHE A 1 142 ? -0.318 -8.011 21.628 1.00 55.35 ? 483 PHE A O 1 ATOM 1061 C CB . PHE A 1 142 ? -0.889 -5.198 22.424 1.00 56.06 ? 483 PHE A CB 1 ATOM 1062 C CG . PHE A 1 142 ? 0.094 -5.047 23.549 1.00 55.13 ? 483 PHE A CG 1 ATOM 1063 C CD1 . PHE A 1 142 ? 0.071 -3.916 24.358 1.00 54.55 ? 483 PHE A CD1 1 ATOM 1064 C CD2 . PHE A 1 142 ? 1.035 -6.039 23.808 1.00 54.04 ? 483 PHE A CD2 1 ATOM 1065 C CE1 . PHE A 1 142 ? 0.963 -3.776 25.408 1.00 54.18 ? 483 PHE A CE1 1 ATOM 1066 C CE2 . PHE A 1 142 ? 1.930 -5.911 24.855 1.00 54.60 ? 483 PHE A CE2 1 ATOM 1067 C CZ . PHE A 1 142 ? 1.897 -4.776 25.659 1.00 55.13 ? 483 PHE A CZ 1 ATOM 1068 N N . ASP A 1 143 ? -1.130 -8.464 23.673 1.00 54.68 ? 484 ASP A N 1 ATOM 1069 C CA . ASP A 1 143 ? -0.414 -9.728 23.770 1.00 54.98 ? 484 ASP A CA 1 ATOM 1070 C C . ASP A 1 143 ? -1.229 -10.837 23.118 1.00 54.42 ? 484 ASP A C 1 ATOM 1071 O O . ASP A 1 143 ? -0.758 -11.962 22.977 1.00 53.74 ? 484 ASP A O 1 ATOM 1072 C CB . ASP A 1 143 ? -0.126 -10.084 25.241 1.00 55.82 ? 484 ASP A CB 1 ATOM 1073 C CG . ASP A 1 143 ? -1.385 -10.193 26.084 1.00 56.82 ? 484 ASP A CG 1 ATOM 1074 O OD1 . ASP A 1 143 ? -2.119 -9.187 26.195 1.00 58.52 ? 484 ASP A OD1 1 ATOM 1075 O OD2 . ASP A 1 143 ? -1.637 -11.284 26.641 1.00 56.44 ? 484 ASP A OD2 1 ATOM 1076 N N . GLU A 1 144 ? -2.453 -10.504 22.717 1.00 53.94 ? 485 GLU A N 1 ATOM 1077 C CA . GLU A 1 144 ? -3.352 -11.464 22.087 1.00 52.84 ? 485 GLU A CA 1 ATOM 1078 C C . GLU A 1 144 ? -3.816 -11.035 20.696 1.00 50.43 ? 485 GLU A C 1 ATOM 1079 O O . GLU A 1 144 ? -4.672 -11.689 20.108 1.00 50.91 ? 485 GLU A O 1 ATOM 1080 C CB . GLU A 1 144 ? -4.590 -11.690 22.967 1.00 55.27 ? 485 GLU A CB 1 ATOM 1081 C CG . GLU A 1 144 ? -4.296 -12.273 24.345 1.00 59.84 ? 485 GLU A CG 1 ATOM 1082 C CD . GLU A 1 144 ? -5.512 -12.257 25.259 1.00 62.51 ? 485 GLU A CD 1 ATOM 1083 O OE1 . GLU A 1 144 ? -5.381 -11.796 26.415 1.00 64.53 ? 485 GLU A OE1 1 ATOM 1084 O OE2 . GLU A 1 144 ? -6.595 -12.706 24.826 1.00 64.21 ? 485 GLU A OE2 1 ATOM 1085 N N . PHE A 1 145 ? -3.266 -9.949 20.162 1.00 48.18 ? 486 PHE A N 1 ATOM 1086 C CA . PHE A 1 145 ? -3.696 -9.493 18.841 1.00 45.46 ? 486 PHE A CA 1 ATOM 1087 C C . PHE A 1 145 ? -3.244 -10.435 17.748 1.00 43.70 ? 486 PHE A C 1 ATOM 1088 O O . PHE A 1 145 ? -4.033 -10.837 16.904 1.00 44.95 ? 486 PHE A O 1 ATOM 1089 C CB . PHE A 1 145 ? -3.161 -8.103 18.520 1.00 42.57 ? 486 PHE A CB 1 ATOM 1090 C CG . PHE A 1 145 ? -3.634 -7.568 17.193 1.00 42.52 ? 486 PHE A CG 1 ATOM 1091 C CD1 . PHE A 1 145 ? -4.925 -7.060 17.049 1.00 42.51 ? 486 PHE A CD1 1 ATOM 1092 C CD2 . PHE A 1 145 ? -2.781 -7.537 16.096 1.00 42.03 ? 486 PHE A CD2 1 ATOM 1093 C CE1 . PHE A 1 145 ? -5.353 -6.525 15.836 1.00 41.25 ? 486 PHE A CE1 1 ATOM 1094 C CE2 . PHE A 1 145 ? -3.199 -7.006 14.880 1.00 40.95 ? 486 PHE A CE2 1 ATOM 1095 C CZ . PHE A 1 145 ? -4.487 -6.496 14.751 1.00 41.11 ? 486 PHE A CZ 1 ATOM 1096 N N . PHE A 1 146 ? -1.962 -10.770 17.762 1.00 42.24 ? 487 PHE A N 1 ATOM 1097 C CA . PHE A 1 146 ? -1.396 -11.668 16.770 1.00 40.81 ? 487 PHE A CA 1 ATOM 1098 C C . PHE A 1 146 ? -1.439 -13.092 17.281 1.00 40.65 ? 487 PHE A C 1 ATOM 1099 O O . PHE A 1 146 ? -1.509 -13.323 18.485 1.00 42.93 ? 487 PHE A O 1 ATOM 1100 C CB . PHE A 1 146 ? 0.043 -11.266 16.462 1.00 38.65 ? 487 PHE A CB 1 ATOM 1101 C CG . PHE A 1 146 ? 0.151 -10.034 15.623 1.00 36.67 ? 487 PHE A CG 1 ATOM 1102 C CD1 . PHE A 1 146 ? -0.416 -10.002 14.355 1.00 36.18 ? 487 PHE A CD1 1 ATOM 1103 C CD2 . PHE A 1 146 ? 0.798 -8.903 16.098 1.00 36.66 ? 487 PHE A CD2 1 ATOM 1104 C CE1 . PHE A 1 146 ? -0.345 -8.863 13.569 1.00 35.39 ? 487 PHE A CE1 1 ATOM 1105 C CE2 . PHE A 1 146 ? 0.874 -7.753 15.316 1.00 37.60 ? 487 PHE A CE2 1 ATOM 1106 C CZ . PHE A 1 146 ? 0.299 -7.735 14.047 1.00 36.47 ? 487 PHE A CZ 1 ATOM 1107 N N . SER A 1 147 ? -1.408 -14.055 16.373 1.00 38.43 ? 488 SER A N 1 ATOM 1108 C CA . SER A 1 147 ? -1.448 -15.442 16.797 1.00 37.33 ? 488 SER A CA 1 ATOM 1109 C C . SER A 1 147 ? -0.078 -15.786 17.338 1.00 36.99 ? 488 SER A C 1 ATOM 1110 O O . SER A 1 147 ? 0.049 -16.352 18.421 1.00 35.62 ? 488 SER A O 1 ATOM 1111 C CB . SER A 1 147 ? -1.807 -16.347 15.625 1.00 34.78 ? 488 SER A CB 1 ATOM 1112 O OG . SER A 1 147 ? -1.026 -16.026 14.496 1.00 37.38 ? 488 SER A OG 1 ATOM 1113 N N . GLN A 1 148 ? 0.946 -15.424 16.576 1.00 36.82 ? 489 GLN A N 1 ATOM 1114 C CA . GLN A 1 148 ? 2.325 -15.665 16.971 1.00 35.69 ? 489 GLN A CA 1 ATOM 1115 C C . GLN A 1 148 ? 3.185 -14.551 16.427 1.00 34.51 ? 489 GLN A C 1 ATOM 1116 O O . GLN A 1 148 ? 2.890 -13.973 15.379 1.00 32.87 ? 489 GLN A O 1 ATOM 1117 C CB . GLN A 1 148 ? 2.841 -16.966 16.394 1.00 36.38 ? 489 GLN A CB 1 ATOM 1118 C CG . GLN A 1 148 ? 2.053 -18.169 16.770 1.00 39.71 ? 489 GLN A CG 1 ATOM 1119 C CD . GLN A 1 148 ? 2.604 -19.395 16.102 1.00 42.60 ? 489 GLN A CD 1 ATOM 1120 O OE1 . GLN A 1 148 ? 2.801 -19.411 14.888 1.00 45.22 ? 489 GLN A OE1 1 ATOM 1121 N NE2 . GLN A 1 148 ? 2.862 -20.432 16.885 1.00 43.24 ? 489 GLN A NE2 1 ATOM 1122 N N . SER A 1 149 ? 4.271 -14.269 17.131 1.00 32.98 ? 490 SER A N 1 ATOM 1123 C CA . SER A 1 149 ? 5.181 -13.224 16.708 1.00 31.71 ? 490 SER A CA 1 ATOM 1124 C C . SER A 1 149 ? 6.595 -13.550 17.130 1.00 31.24 ? 490 SER A C 1 ATOM 1125 O O . SER A 1 149 ? 6.867 -14.597 17.715 1.00 30.16 ? 490 SER A O 1 ATOM 1126 C CB . SER A 1 149 ? 4.786 -11.895 17.355 1.00 31.17 ? 490 SER A CB 1 ATOM 1127 O OG . SER A 1 149 ? 3.402 -11.632 17.205 1.00 33.57 ? 490 SER A OG 1 ATOM 1128 N N . CYS A 1 150 ? 7.494 -12.642 16.778 1.00 31.66 ? 491 CYS A N 1 ATOM 1129 C CA . CYS A 1 150 ? 8.885 -12.705 17.188 1.00 30.26 ? 491 CYS A CA 1 ATOM 1130 C C . CYS A 1 150 ? 9.169 -11.251 17.547 1.00 29.15 ? 491 CYS A C 1 ATOM 1131 O O . CYS A 1 150 ? 9.471 -10.429 16.684 1.00 27.10 ? 491 CYS A O 1 ATOM 1132 C CB . CYS A 1 150 ? 9.834 -13.171 16.087 1.00 31.57 ? 491 CYS A CB 1 ATOM 1133 S SG . CYS A 1 150 ? 11.555 -12.932 16.652 1.00 34.39 ? 491 CYS A SG 1 ATOM 1134 N N . ALA A 1 151 ? 9.008 -10.957 18.836 1.00 28.10 ? 492 ALA A N 1 ATOM 1135 C CA . ALA A 1 151 ? 9.201 -9.635 19.404 1.00 25.62 ? 492 ALA A CA 1 ATOM 1136 C C . ALA A 1 151 ? 10.243 -9.734 20.517 1.00 24.43 ? 492 ALA A C 1 ATOM 1137 O O . ALA A 1 151 ? 9.895 -9.849 21.696 1.00 24.05 ? 492 ALA A O 1 ATOM 1138 C CB . ALA A 1 151 ? 7.875 -9.124 19.965 1.00 23.89 ? 492 ALA A CB 1 ATOM 1139 N N . PRO A 1 152 ? 11.539 -9.692 20.150 1.00 23.10 ? 493 PRO A N 1 ATOM 1140 C CA . PRO A 1 152 ? 12.668 -9.776 21.082 1.00 22.62 ? 493 PRO A CA 1 ATOM 1141 C C . PRO A 1 152 ? 12.507 -8.921 22.334 1.00 23.68 ? 493 PRO A C 1 ATOM 1142 O O . PRO A 1 152 ? 12.313 -7.712 22.247 1.00 24.97 ? 493 PRO A O 1 ATOM 1143 C CB . PRO A 1 152 ? 13.846 -9.339 20.223 1.00 21.44 ? 493 PRO A CB 1 ATOM 1144 C CG . PRO A 1 152 ? 13.485 -9.901 18.886 1.00 21.97 ? 493 PRO A CG 1 ATOM 1145 C CD . PRO A 1 152 ? 12.023 -9.526 18.767 1.00 21.36 ? 493 PRO A CD 1 ATOM 1146 N N . GLY A 1 153 ? 12.602 -9.554 23.498 1.00 23.68 ? 494 GLY A N 1 ATOM 1147 C CA . GLY A 1 153 ? 12.451 -8.820 24.734 1.00 25.47 ? 494 GLY A CA 1 ATOM 1148 C C . GLY A 1 153 ? 11.206 -9.239 25.497 1.00 27.23 ? 494 GLY A C 1 ATOM 1149 O O . GLY A 1 153 ? 11.055 -8.928 26.675 1.00 30.43 ? 494 GLY A O 1 ATOM 1150 N N . ALA A 1 154 ? 10.308 -9.951 24.832 1.00 28.42 ? 495 ALA A N 1 ATOM 1151 C CA . ALA A 1 154 ? 9.085 -10.419 25.473 1.00 27.94 ? 495 ALA A CA 1 ATOM 1152 C C . ALA A 1 154 ? 9.365 -11.744 26.172 1.00 29.11 ? 495 ALA A C 1 ATOM 1153 O O . ALA A 1 154 ? 10.434 -12.323 26.002 1.00 28.59 ? 495 ALA A O 1 ATOM 1154 C CB . ALA A 1 154 ? 7.988 -10.589 24.432 1.00 27.39 ? 495 ALA A CB 1 ATOM 1155 N N . ASP A 1 155 ? 8.411 -12.216 26.966 1.00 31.33 ? 496 ASP A N 1 ATOM 1156 C CA . ASP A 1 155 ? 8.584 -13.479 27.669 1.00 32.66 ? 496 ASP A CA 1 ATOM 1157 C C . ASP A 1 155 ? 8.855 -14.554 26.628 1.00 32.72 ? 496 ASP A C 1 ATOM 1158 O O . ASP A 1 155 ? 8.076 -14.735 25.697 1.00 32.26 ? 496 ASP A O 1 ATOM 1159 C CB . ASP A 1 155 ? 7.324 -13.802 28.486 1.00 35.39 ? 496 ASP A CB 1 ATOM 1160 C CG . ASP A 1 155 ? 7.417 -15.127 29.228 1.00 37.34 ? 496 ASP A CG 1 ATOM 1161 O OD1 . ASP A 1 155 ? 8.539 -15.619 29.476 1.00 37.12 ? 496 ASP A OD1 1 ATOM 1162 O OD2 . ASP A 1 155 ? 6.349 -15.672 29.578 1.00 40.56 ? 496 ASP A OD2 1 ATOM 1163 N N . PRO A 1 156 ? 9.990 -15.263 26.761 1.00 34.09 ? 497 PRO A N 1 ATOM 1164 C CA . PRO A 1 156 ? 10.432 -16.336 25.862 1.00 33.96 ? 497 PRO A CA 1 ATOM 1165 C C . PRO A 1 156 ? 9.413 -17.446 25.648 1.00 35.59 ? 497 PRO A C 1 ATOM 1166 O O . PRO A 1 156 ? 9.386 -18.079 24.595 1.00 36.10 ? 497 PRO A O 1 ATOM 1167 C CB . PRO A 1 156 ? 11.689 -16.860 26.545 1.00 32.45 ? 497 PRO A CB 1 ATOM 1168 C CG . PRO A 1 156 ? 12.233 -15.658 27.202 1.00 33.08 ? 497 PRO A CG 1 ATOM 1169 C CD . PRO A 1 156 ? 11.005 -15.016 27.798 1.00 33.40 ? 497 PRO A CD 1 ATOM 1170 N N . LYS A 1 157 ? 8.576 -17.686 26.647 1.00 37.05 ? 498 LYS A N 1 ATOM 1171 C CA . LYS A 1 157 ? 7.590 -18.742 26.529 1.00 39.53 ? 498 LYS A CA 1 ATOM 1172 C C . LYS A 1 157 ? 6.203 -18.227 26.180 1.00 40.30 ? 498 LYS A C 1 ATOM 1173 O O . LYS A 1 157 ? 5.222 -18.959 26.307 1.00 41.99 ? 498 LYS A O 1 ATOM 1174 C CB . LYS A 1 157 ? 7.538 -19.555 27.826 1.00 41.14 ? 498 LYS A CB 1 ATOM 1175 C CG . LYS A 1 157 ? 7.156 -18.744 29.057 1.00 42.97 ? 498 LYS A CG 1 ATOM 1176 C CD . LYS A 1 157 ? 7.538 -19.479 30.329 1.00 44.49 ? 498 LYS A CD 1 ATOM 1177 C CE . LYS A 1 157 ? 6.943 -18.824 31.588 1.00 45.28 ? 498 LYS A CE 1 ATOM 1178 N NZ . LYS A 1 157 ? 7.246 -17.361 31.632 1.00 43.63 ? 498 LYS A NZ 1 ATOM 1179 N N . SER A 1 158 ? 6.122 -16.972 25.742 1.00 38.51 ? 499 SER A N 1 ATOM 1180 C CA . SER A 1 158 ? 4.846 -16.377 25.355 1.00 36.24 ? 499 SER A CA 1 ATOM 1181 C C . SER A 1 158 ? 4.769 -16.294 23.828 1.00 36.37 ? 499 SER A C 1 ATOM 1182 O O . SER A 1 158 ? 5.783 -16.419 23.138 1.00 34.54 ? 499 SER A O 1 ATOM 1183 C CB . SER A 1 158 ? 4.704 -14.970 25.944 1.00 35.49 ? 499 SER A CB 1 ATOM 1184 O OG . SER A 1 158 ? 5.467 -14.025 25.207 1.00 32.98 ? 499 SER A OG 1 ATOM 1185 N N . ARG A 1 159 ? 3.558 -16.091 23.312 1.00 36.74 ? 500 ARG A N 1 ATOM 1186 C CA . ARG A 1 159 ? 3.323 -15.977 21.875 1.00 35.60 ? 500 ARG A CA 1 ATOM 1187 C C . ARG A 1 159 ? 4.267 -15.000 21.203 1.00 33.12 ? 500 ARG A C 1 ATOM 1188 O O . ARG A 1 159 ? 4.808 -15.291 20.141 1.00 32.85 ? 500 ARG A O 1 ATOM 1189 C CB . ARG A 1 159 ? 1.886 -15.532 21.610 1.00 38.31 ? 500 ARG A CB 1 ATOM 1190 C CG . ARG A 1 159 ? 0.920 -16.682 21.503 1.00 45.07 ? 500 ARG A CG 1 ATOM 1191 C CD . ARG A 1 159 ? -0.411 -16.382 22.168 1.00 50.63 ? 500 ARG A CD 1 ATOM 1192 N NE . ARG A 1 159 ? -1.267 -15.455 21.433 1.00 54.76 ? 500 ARG A NE 1 ATOM 1193 C CZ . ARG A 1 159 ? -2.551 -15.282 21.728 1.00 57.82 ? 500 ARG A CZ 1 ATOM 1194 N NH1 . ARG A 1 159 ? -3.088 -15.974 22.730 1.00 59.08 ? 500 ARG A NH1 1 ATOM 1195 N NH2 . ARG A 1 159 ? -3.300 -14.436 21.031 1.00 59.37 ? 500 ARG A NH2 1 ATOM 1196 N N . LEU A 1 160 ? 4.462 -13.844 21.828 1.00 30.31 ? 501 LEU A N 1 ATOM 1197 C CA . LEU A 1 160 ? 5.328 -12.807 21.285 1.00 28.20 ? 501 LEU A CA 1 ATOM 1198 C C . LEU A 1 160 ? 6.749 -13.264 20.963 1.00 27.17 ? 501 LEU A C 1 ATOM 1199 O O . LEU A 1 160 ? 7.522 -12.520 20.375 1.00 25.97 ? 501 LEU A O 1 ATOM 1200 C CB . LEU A 1 160 ? 5.366 -11.623 22.247 1.00 29.11 ? 501 LEU A CB 1 ATOM 1201 C CG . LEU A 1 160 ? 4.031 -10.883 22.355 1.00 30.15 ? 501 LEU A CG 1 ATOM 1202 C CD1 . LEU A 1 160 ? 4.086 -9.894 23.502 1.00 27.38 ? 501 LEU A CD1 1 ATOM 1203 C CD2 . LEU A 1 160 ? 3.715 -10.182 21.027 1.00 28.11 ? 501 LEU A CD2 1 ATOM 1204 N N . CYS A 1 161 ? 7.095 -14.487 21.348 1.00 27.95 ? 502 CYS A N 1 ATOM 1205 C CA . CYS A 1 161 ? 8.425 -15.029 21.072 1.00 27.39 ? 502 CYS A CA 1 ATOM 1206 C C . CYS A 1 161 ? 8.347 -16.334 20.269 1.00 28.45 ? 502 CYS A C 1 ATOM 1207 O O . CYS A 1 161 ? 9.362 -16.859 19.803 1.00 28.89 ? 502 CYS A O 1 ATOM 1208 C CB . CYS A 1 161 ? 9.188 -15.266 22.384 1.00 26.11 ? 502 CYS A CB 1 ATOM 1209 S SG . CYS A 1 161 ? 9.842 -13.760 23.181 1.00 25.16 ? 502 CYS A SG 1 ATOM 1210 N N . ALA A 1 162 ? 7.131 -16.832 20.088 1.00 27.86 ? 503 ALA A N 1 ATOM 1211 C CA . ALA A 1 162 ? 6.902 -18.072 19.365 1.00 27.84 ? 503 ALA A CA 1 ATOM 1212 C C . ALA A 1 162 ? 7.681 -18.204 18.055 1.00 29.50 ? 503 ALA A C 1 ATOM 1213 O O . ALA A 1 162 ? 8.198 -19.273 17.747 1.00 31.51 ? 503 ALA A O 1 ATOM 1214 C CB . ALA A 1 162 ? 5.423 -18.230 19.104 1.00 25.06 ? 503 ALA A CB 1 ATOM 1215 N N . LEU A 1 163 ? 7.789 -17.125 17.288 1.00 31.12 ? 504 LEU A N 1 ATOM 1216 C CA . LEU A 1 163 ? 8.471 -17.199 15.997 1.00 31.71 ? 504 LEU A CA 1 ATOM 1217 C C . LEU A 1 163 ? 9.957 -16.894 16.022 1.00 32.72 ? 504 LEU A C 1 ATOM 1218 O O . LEU A 1 163 ? 10.638 -17.072 15.012 1.00 32.68 ? 504 LEU A O 1 ATOM 1219 C CB . LEU A 1 163 ? 7.790 -16.269 14.983 1.00 31.05 ? 504 LEU A CB 1 ATOM 1220 C CG . LEU A 1 163 ? 6.301 -16.521 14.721 1.00 32.05 ? 504 LEU A CG 1 ATOM 1221 C CD1 . LEU A 1 163 ? 5.781 -15.526 13.694 1.00 32.62 ? 504 LEU A CD1 1 ATOM 1222 C CD2 . LEU A 1 163 ? 6.097 -17.947 14.235 1.00 31.23 ? 504 LEU A CD2 1 ATOM 1223 N N . CYS A 1 164 ? 10.464 -16.423 17.158 1.00 33.14 ? 505 CYS A N 1 ATOM 1224 C CA . CYS A 1 164 ? 11.884 -16.108 17.249 1.00 32.25 ? 505 CYS A CA 1 ATOM 1225 C C . CYS A 1 164 ? 12.695 -17.396 17.247 1.00 33.11 ? 505 CYS A C 1 ATOM 1226 O O . CYS A 1 164 ? 12.361 -18.359 17.937 1.00 32.12 ? 505 CYS A O 1 ATOM 1227 C CB . CYS A 1 164 ? 12.177 -15.321 18.508 1.00 32.43 ? 505 CYS A CB 1 ATOM 1228 S SG . CYS A 1 164 ? 11.510 -13.630 18.565 1.00 34.26 ? 505 CYS A SG 1 ATOM 1229 N N . ALA A 1 165 ? 13.775 -17.401 16.476 1.00 33.37 ? 506 ALA A N 1 ATOM 1230 C CA . ALA A 1 165 ? 14.611 -18.582 16.336 1.00 32.54 ? 506 ALA A CA 1 ATOM 1231 C C . ALA A 1 165 ? 15.855 -18.653 17.209 1.00 33.25 ? 506 ALA A C 1 ATOM 1232 O O . ALA A 1 165 ? 16.609 -19.620 17.117 1.00 35.46 ? 506 ALA A O 1 ATOM 1233 C CB . ALA A 1 165 ? 15.010 -18.741 14.871 1.00 31.88 ? 506 ALA A CB 1 ATOM 1234 N N . GLY A 1 166 ? 16.095 -17.657 18.052 1.00 33.53 ? 507 GLY A N 1 ATOM 1235 C CA . GLY A 1 166 ? 17.292 -17.721 18.873 1.00 33.94 ? 507 GLY A CA 1 ATOM 1236 C C . GLY A 1 166 ? 18.529 -17.725 17.987 1.00 35.85 ? 507 GLY A C 1 ATOM 1237 O O . GLY A 1 166 ? 18.447 -17.422 16.801 1.00 34.54 ? 507 GLY A O 1 ATOM 1238 N N . ASP A 1 167 ? 19.681 -18.077 18.544 1.00 37.94 ? 508 ASP A N 1 ATOM 1239 C CA . ASP A 1 167 ? 20.907 -18.075 17.754 1.00 39.96 ? 508 ASP A CA 1 ATOM 1240 C C . ASP A 1 167 ? 21.146 -19.362 16.986 1.00 42.72 ? 508 ASP A C 1 ATOM 1241 O O . ASP A 1 167 ? 20.277 -20.232 16.907 1.00 43.26 ? 508 ASP A O 1 ATOM 1242 C CB . ASP A 1 167 ? 22.131 -17.736 18.633 1.00 39.74 ? 508 ASP A CB 1 ATOM 1243 C CG . ASP A 1 167 ? 22.672 -18.932 19.423 1.00 39.61 ? 508 ASP A CG 1 ATOM 1244 O OD1 . ASP A 1 167 ? 22.029 -20.004 19.458 1.00 38.66 ? 508 ASP A OD1 1 ATOM 1245 O OD2 . ASP A 1 167 ? 23.760 -18.786 20.028 1.00 38.48 ? 508 ASP A OD2 1 ATOM 1246 N N . ASP A 1 168 ? 22.341 -19.466 16.419 1.00 46.18 ? 509 ASP A N 1 ATOM 1247 C CA . ASP A 1 168 ? 22.745 -20.609 15.601 1.00 50.32 ? 509 ASP A CA 1 ATOM 1248 C C . ASP A 1 168 ? 22.711 -21.968 16.292 1.00 50.23 ? 509 ASP A C 1 ATOM 1249 O O . ASP A 1 168 ? 23.002 -22.988 15.669 1.00 49.04 ? 509 ASP A O 1 ATOM 1250 C CB . ASP A 1 168 ? 24.153 -20.376 15.059 1.00 55.40 ? 509 ASP A CB 1 ATOM 1251 C CG . ASP A 1 168 ? 25.206 -20.390 16.159 1.00 61.21 ? 509 ASP A CG 1 ATOM 1252 O OD1 . ASP A 1 168 ? 26.410 -20.299 15.837 1.00 64.64 ? 509 ASP A OD1 1 ATOM 1253 O OD2 . ASP A 1 168 ? 24.832 -20.492 17.350 1.00 64.59 ? 509 ASP A OD2 1 ATOM 1254 N N . GLN A 1 169 ? 22.385 -21.977 17.579 1.00 49.83 ? 510 GLN A N 1 ATOM 1255 C CA . GLN A 1 169 ? 22.303 -23.214 18.330 1.00 49.00 ? 510 GLN A CA 1 ATOM 1256 C C . GLN A 1 169 ? 20.912 -23.345 18.890 1.00 49.18 ? 510 GLN A C 1 ATOM 1257 O O . GLN A 1 169 ? 20.541 -24.396 19.401 1.00 51.64 ? 510 GLN A O 1 ATOM 1258 C CB . GLN A 1 169 ? 23.277 -23.207 19.487 1.00 50.54 ? 510 GLN A CB 1 ATOM 1259 C CG . GLN A 1 169 ? 24.667 -23.623 19.137 1.00 55.20 ? 510 GLN A CG 1 ATOM 1260 C CD . GLN A 1 169 ? 25.267 -24.480 20.233 1.00 58.89 ? 510 GLN A CD 1 ATOM 1261 O OE1 . GLN A 1 169 ? 24.715 -25.528 20.592 1.00 58.77 ? 510 GLN A OE1 1 ATOM 1262 N NE2 . GLN A 1 169 ? 26.397 -24.040 20.778 1.00 59.68 ? 510 GLN A NE2 1 ATOM 1263 N N . GLY A 1 170 ? 20.147 -22.262 18.801 1.00 47.64 ? 511 GLY A N 1 ATOM 1264 C CA . GLY A 1 170 ? 18.796 -22.263 19.326 1.00 44.94 ? 511 GLY A CA 1 ATOM 1265 C C . GLY A 1 170 ? 18.803 -21.655 20.714 1.00 44.87 ? 511 GLY A C 1 ATOM 1266 O O . GLY A 1 170 ? 17.752 -21.549 21.370 1.00 45.08 ? 511 GLY A O 1 ATOM 1267 N N . LEU A 1 171 ? 19.998 -21.265 21.163 1.00 41.28 ? 512 LEU A N 1 ATOM 1268 C CA . LEU A 1 171 ? 20.165 -20.652 22.472 1.00 40.48 ? 512 LEU A CA 1 ATOM 1269 C C . LEU A 1 171 ? 19.834 -19.166 22.376 1.00 39.67 ? 512 LEU A C 1 ATOM 1270 O O . LEU A 1 171 ? 19.928 -18.569 21.308 1.00 39.10 ? 512 LEU A O 1 ATOM 1271 C CB . LEU A 1 171 ? 21.605 -20.797 22.971 1.00 39.78 ? 512 LEU A CB 1 ATOM 1272 C CG . LEU A 1 171 ? 22.336 -22.137 23.087 1.00 40.18 ? 512 LEU A CG 1 ATOM 1273 C CD1 . LEU A 1 171 ? 23.620 -21.886 23.847 1.00 38.95 ? 512 LEU A CD1 1 ATOM 1274 C CD2 . LEU A 1 171 ? 21.512 -23.176 23.815 1.00 40.03 ? 512 LEU A CD2 1 ATOM 1275 N N . ASP A 1 172 ? 19.445 -18.572 23.494 1.00 38.50 ? 513 ASP A N 1 ATOM 1276 C CA . ASP A 1 172 ? 19.123 -17.157 23.517 1.00 38.94 ? 513 ASP A CA 1 ATOM 1277 C C . ASP A 1 172 ? 17.911 -16.761 22.672 1.00 39.16 ? 513 ASP A C 1 ATOM 1278 O O . ASP A 1 172 ? 17.877 -15.674 22.099 1.00 38.74 ? 513 ASP A O 1 ATOM 1279 C CB . ASP A 1 172 ? 20.343 -16.348 23.076 1.00 40.67 ? 513 ASP A CB 1 ATOM 1280 C CG . ASP A 1 172 ? 21.293 -16.059 24.219 1.00 43.14 ? 513 ASP A CG 1 ATOM 1281 O OD1 . ASP A 1 172 ? 20.994 -16.468 25.359 1.00 46.73 ? 513 ASP A OD1 1 ATOM 1282 O OD2 . ASP A 1 172 ? 22.336 -15.413 23.985 1.00 45.02 ? 513 ASP A OD2 1 ATOM 1283 N N . LYS A 1 173 ? 16.911 -17.633 22.603 1.00 39.54 ? 514 LYS A N 1 ATOM 1284 C CA . LYS A 1 173 ? 15.710 -17.330 21.833 1.00 38.15 ? 514 LYS A CA 1 ATOM 1285 C C . LYS A 1 173 ? 15.033 -16.084 22.402 1.00 36.14 ? 514 LYS A C 1 ATOM 1286 O O . LYS A 1 173 ? 14.780 -15.991 23.603 1.00 36.39 ? 514 LYS A O 1 ATOM 1287 C CB . LYS A 1 173 ? 14.733 -18.514 21.864 1.00 39.42 ? 514 LYS A CB 1 ATOM 1288 C CG . LYS A 1 173 ? 13.436 -18.293 21.087 1.00 43.12 ? 514 LYS A CG 1 ATOM 1289 C CD . LYS A 1 173 ? 12.429 -19.401 21.390 1.00 48.65 ? 514 LYS A CD 1 ATOM 1290 C CE . LYS A 1 173 ? 11.013 -19.059 20.907 1.00 51.91 ? 514 LYS A CE 1 ATOM 1291 N NZ . LYS A 1 173 ? 10.720 -19.572 19.534 1.00 54.88 ? 514 LYS A NZ 1 ATOM 1292 N N . CYS A 1 174 ? 14.773 -15.123 21.523 1.00 34.11 ? 515 CYS A N 1 ATOM 1293 C CA . CYS A 1 174 ? 14.108 -13.866 21.861 1.00 31.70 ? 515 CYS A CA 1 ATOM 1294 C C . CYS A 1 174 ? 14.910 -12.787 22.597 1.00 31.75 ? 515 CYS A C 1 ATOM 1295 O O . CYS A 1 174 ? 14.324 -11.801 23.049 1.00 33.10 ? 515 CYS A O 1 ATOM 1296 C CB . CYS A 1 174 ? 12.818 -14.150 22.641 1.00 28.84 ? 515 CYS A CB 1 ATOM 1297 S SG . CYS A 1 174 ? 11.386 -13.247 21.978 1.00 23.16 ? 515 CYS A SG 1 ATOM 1298 N N . VAL A 1 175 ? 16.227 -12.947 22.723 1.00 30.87 ? 516 VAL A N 1 ATOM 1299 C CA . VAL A 1 175 ? 17.015 -11.925 23.411 1.00 31.79 ? 516 VAL A CA 1 ATOM 1300 C C . VAL A 1 175 ? 17.048 -10.692 22.552 1.00 31.16 ? 516 VAL A C 1 ATOM 1301 O O . VAL A 1 175 ? 17.199 -10.777 21.339 1.00 31.16 ? 516 VAL A O 1 ATOM 1302 C CB . VAL A 1 175 ? 18.485 -12.336 23.671 1.00 33.27 ? 516 VAL A CB 1 ATOM 1303 C CG1 . VAL A 1 175 ? 18.582 -13.155 24.933 1.00 34.69 ? 516 VAL A CG1 1 ATOM 1304 C CG2 . VAL A 1 175 ? 19.034 -13.103 22.487 1.00 35.59 ? 516 VAL A CG2 1 ATOM 1305 N N . PRO A 1 176 ? 16.901 -9.519 23.173 1.00 31.52 ? 517 PRO A N 1 ATOM 1306 C CA . PRO A 1 176 ? 16.920 -8.269 22.422 1.00 30.04 ? 517 PRO A CA 1 ATOM 1307 C C . PRO A 1 176 ? 18.308 -7.805 21.992 1.00 29.53 ? 517 PRO A C 1 ATOM 1308 O O . PRO A 1 176 ? 18.724 -6.689 22.305 1.00 30.91 ? 517 PRO A O 1 ATOM 1309 C CB . PRO A 1 176 ? 16.228 -7.296 23.372 1.00 31.19 ? 517 PRO A CB 1 ATOM 1310 C CG . PRO A 1 176 ? 16.620 -7.815 24.723 1.00 32.87 ? 517 PRO A CG 1 ATOM 1311 C CD . PRO A 1 176 ? 16.443 -9.299 24.558 1.00 32.64 ? 517 PRO A CD 1 ATOM 1312 N N . ASN A 1 177 ? 19.035 -8.679 21.306 1.00 28.33 ? 518 ASN A N 1 ATOM 1313 C CA . ASN A 1 177 ? 20.348 -8.332 20.773 1.00 28.52 ? 518 ASN A CA 1 ATOM 1314 C C . ASN A 1 177 ? 20.601 -9.159 19.514 1.00 29.41 ? 518 ASN A C 1 ATOM 1315 O O . ASN A 1 177 ? 19.975 -10.200 19.312 1.00 28.89 ? 518 ASN A O 1 ATOM 1316 C CB . ASN A 1 177 ? 21.480 -8.472 21.822 1.00 26.25 ? 518 ASN A CB 1 ATOM 1317 C CG . ASN A 1 177 ? 21.853 -9.903 22.143 1.00 25.32 ? 518 ASN A CG 1 ATOM 1318 O OD1 . ASN A 1 177 ? 22.279 -10.660 21.283 1.00 27.42 ? 518 ASN A OD1 1 ATOM 1319 N ND2 . ASN A 1 177 ? 21.723 -10.266 23.406 1.00 27.23 ? 518 ASN A ND2 1 ATOM 1320 N N . SER A 1 178 ? 21.492 -8.663 18.658 1.00 30.96 ? 519 SER A N 1 ATOM 1321 C CA . SER A 1 178 ? 21.817 -9.286 17.378 1.00 32.33 ? 519 SER A CA 1 ATOM 1322 C C . SER A 1 178 ? 22.122 -10.776 17.392 1.00 32.83 ? 519 SER A C 1 ATOM 1323 O O . SER A 1 178 ? 22.437 -11.356 16.358 1.00 34.07 ? 519 SER A O 1 ATOM 1324 C CB . SER A 1 178 ? 23.000 -8.566 16.745 1.00 33.03 ? 519 SER A CB 1 ATOM 1325 O OG . SER A 1 178 ? 24.208 -9.057 17.292 1.00 33.86 ? 519 SER A OG 1 ATOM 1326 N N . LYS A 1 179 ? 22.050 -11.396 18.556 1.00 33.21 ? 520 LYS A N 1 ATOM 1327 C CA . LYS A 1 179 ? 22.320 -12.820 18.667 1.00 35.00 ? 520 LYS A CA 1 ATOM 1328 C C . LYS A 1 179 ? 21.049 -13.584 18.268 1.00 34.44 ? 520 LYS A C 1 ATOM 1329 O O . LYS A 1 179 ? 21.096 -14.776 17.939 1.00 33.31 ? 520 LYS A O 1 ATOM 1330 C CB . LYS A 1 179 ? 22.733 -13.139 20.105 1.00 39.17 ? 520 LYS A CB 1 ATOM 1331 C CG . LYS A 1 179 ? 23.392 -14.479 20.314 1.00 45.14 ? 520 LYS A CG 1 ATOM 1332 C CD . LYS A 1 179 ? 24.730 -14.558 19.606 1.00 50.08 ? 520 LYS A CD 1 ATOM 1333 C CE . LYS A 1 179 ? 25.486 -15.821 20.032 1.00 53.16 ? 520 LYS A CE 1 ATOM 1334 N NZ . LYS A 1 179 ? 26.847 -15.937 19.421 1.00 53.92 ? 520 LYS A NZ 1 ATOM 1335 N N . GLU A 1 180 ? 19.915 -12.881 18.326 1.00 33.60 ? 521 GLU A N 1 ATOM 1336 C CA . GLU A 1 180 ? 18.623 -13.433 17.927 1.00 32.22 ? 521 GLU A CA 1 ATOM 1337 C C . GLU A 1 180 ? 18.642 -13.313 16.400 1.00 31.87 ? 521 GLU A C 1 ATOM 1338 O O . GLU A 1 180 ? 19.015 -12.271 15.858 1.00 30.94 ? 521 GLU A O 1 ATOM 1339 C CB . GLU A 1 180 ? 17.466 -12.613 18.528 1.00 29.31 ? 521 GLU A CB 1 ATOM 1340 C CG . GLU A 1 180 ? 16.093 -12.871 17.905 1.00 29.66 ? 521 GLU A CG 1 ATOM 1341 C CD . GLU A 1 180 ? 15.688 -14.345 17.906 1.00 31.96 ? 521 GLU A CD 1 ATOM 1342 O OE1 . GLU A 1 180 ? 15.581 -14.935 19.000 1.00 31.83 ? 521 GLU A OE1 1 ATOM 1343 O OE2 . GLU A 1 180 ? 15.469 -14.915 16.813 1.00 29.58 ? 521 GLU A OE2 1 ATOM 1344 N N . LYS A 1 181 ? 18.271 -14.389 15.718 1.00 29.70 ? 522 LYS A N 1 ATOM 1345 C CA . LYS A 1 181 ? 18.268 -14.412 14.268 1.00 29.55 ? 522 LYS A CA 1 ATOM 1346 C C . LYS A 1 181 ? 17.368 -13.325 13.691 1.00 30.54 ? 522 LYS A C 1 ATOM 1347 O O . LYS A 1 181 ? 17.728 -12.660 12.720 1.00 31.20 ? 522 LYS A O 1 ATOM 1348 C CB . LYS A 1 181 ? 17.796 -15.778 13.789 1.00 30.41 ? 522 LYS A CB 1 ATOM 1349 C CG . LYS A 1 181 ? 18.079 -16.070 12.339 1.00 31.83 ? 522 LYS A CG 1 ATOM 1350 C CD . LYS A 1 181 ? 17.565 -17.448 12.013 1.00 34.65 ? 522 LYS A CD 1 ATOM 1351 C CE . LYS A 1 181 ? 18.024 -17.928 10.658 1.00 36.15 ? 522 LYS A CE 1 ATOM 1352 N NZ . LYS A 1 181 ? 17.557 -19.334 10.443 1.00 40.07 ? 522 LYS A NZ 1 ATOM 1353 N N . TYR A 1 182 ? 16.206 -13.137 14.308 1.00 29.57 ? 523 TYR A N 1 ATOM 1354 C CA . TYR A 1 182 ? 15.242 -12.157 13.846 1.00 28.00 ? 523 TYR A CA 1 ATOM 1355 C C . TYR A 1 182 ? 15.187 -10.877 14.700 1.00 29.52 ? 523 TYR A C 1 ATOM 1356 O O . TYR A 1 182 ? 14.109 -10.347 14.980 1.00 32.08 ? 523 TYR A O 1 ATOM 1357 C CB . TYR A 1 182 ? 13.863 -12.827 13.768 1.00 25.87 ? 523 TYR A CB 1 ATOM 1358 C CG . TYR A 1 182 ? 13.845 -14.081 12.907 1.00 24.98 ? 523 TYR A CG 1 ATOM 1359 C CD1 . TYR A 1 182 ? 14.444 -14.099 11.645 1.00 24.50 ? 523 TYR A CD1 1 ATOM 1360 C CD2 . TYR A 1 182 ? 13.223 -15.244 13.350 1.00 25.78 ? 523 TYR A CD2 1 ATOM 1361 C CE1 . TYR A 1 182 ? 14.425 -15.246 10.849 1.00 23.84 ? 523 TYR A CE1 1 ATOM 1362 C CE2 . TYR A 1 182 ? 13.195 -16.392 12.562 1.00 25.41 ? 523 TYR A CE2 1 ATOM 1363 C CZ . TYR A 1 182 ? 13.801 -16.386 11.316 1.00 24.19 ? 523 TYR A CZ 1 ATOM 1364 O OH . TYR A 1 182 ? 13.802 -17.532 10.558 1.00 23.42 ? 523 TYR A OH 1 ATOM 1365 N N . TYR A 1 183 ? 16.354 -10.378 15.100 1.00 27.79 ? 524 TYR A N 1 ATOM 1366 C CA . TYR A 1 183 ? 16.431 -9.163 15.904 1.00 25.87 ? 524 TYR A CA 1 ATOM 1367 C C . TYR A 1 183 ? 16.753 -7.952 15.041 1.00 26.43 ? 524 TYR A C 1 ATOM 1368 O O . TYR A 1 183 ? 17.581 -8.031 14.130 1.00 25.73 ? 524 TYR A O 1 ATOM 1369 C CB . TYR A 1 183 ? 17.513 -9.286 16.986 1.00 25.28 ? 524 TYR A CB 1 ATOM 1370 C CG . TYR A 1 183 ? 17.817 -7.972 17.692 1.00 23.71 ? 524 TYR A CG 1 ATOM 1371 C CD1 . TYR A 1 183 ? 17.007 -7.507 18.736 1.00 25.32 ? 524 TYR A CD1 1 ATOM 1372 C CD2 . TYR A 1 183 ? 18.853 -7.145 17.251 1.00 21.63 ? 524 TYR A CD2 1 ATOM 1373 C CE1 . TYR A 1 183 ? 17.215 -6.243 19.317 1.00 23.46 ? 524 TYR A CE1 1 ATOM 1374 C CE2 . TYR A 1 183 ? 19.068 -5.883 17.821 1.00 22.02 ? 524 TYR A CE2 1 ATOM 1375 C CZ . TYR A 1 183 ? 18.241 -5.437 18.851 1.00 23.79 ? 524 TYR A CZ 1 ATOM 1376 O OH . TYR A 1 183 ? 18.406 -4.177 19.397 1.00 25.02 ? 524 TYR A OH 1 ATOM 1377 N N . GLY A 1 184 ? 16.100 -6.833 15.340 1.00 25.51 ? 525 GLY A N 1 ATOM 1378 C CA . GLY A 1 184 ? 16.359 -5.611 14.609 1.00 26.32 ? 525 GLY A CA 1 ATOM 1379 C C . GLY A 1 184 ? 15.717 -5.455 13.247 1.00 26.38 ? 525 GLY A C 1 ATOM 1380 O O . GLY A 1 184 ? 14.957 -6.301 12.779 1.00 25.90 ? 525 GLY A O 1 ATOM 1381 N N . TYR A 1 185 ? 16.038 -4.343 12.603 1.00 25.78 ? 526 TYR A N 1 ATOM 1382 C CA . TYR A 1 185 ? 15.496 -4.052 11.297 1.00 25.66 ? 526 TYR A CA 1 ATOM 1383 C C . TYR A 1 185 ? 15.742 -5.222 10.345 1.00 25.95 ? 526 TYR A C 1 ATOM 1384 O O . TYR A 1 185 ? 14.814 -5.735 9.718 1.00 27.14 ? 526 TYR A O 1 ATOM 1385 C CB . TYR A 1 185 ? 16.141 -2.789 10.741 1.00 23.61 ? 526 TYR A CB 1 ATOM 1386 C CG . TYR A 1 185 ? 15.839 -1.517 11.486 1.00 18.97 ? 526 TYR A CG 1 ATOM 1387 C CD1 . TYR A 1 185 ? 14.532 -1.067 11.632 1.00 19.32 ? 526 TYR A CD1 1 ATOM 1388 C CD2 . TYR A 1 185 ? 16.873 -0.705 11.942 1.00 17.71 ? 526 TYR A CD2 1 ATOM 1389 C CE1 . TYR A 1 185 ? 14.259 0.169 12.197 1.00 19.94 ? 526 TYR A CE1 1 ATOM 1390 C CE2 . TYR A 1 185 ? 16.619 0.526 12.508 1.00 19.98 ? 526 TYR A CE2 1 ATOM 1391 C CZ . TYR A 1 185 ? 15.307 0.963 12.628 1.00 20.71 ? 526 TYR A CZ 1 ATOM 1392 O OH . TYR A 1 185 ? 15.038 2.212 13.140 1.00 23.51 ? 526 TYR A OH 1 ATOM 1393 N N . THR A 1 186 ? 16.994 -5.648 10.249 1.00 25.72 ? 527 THR A N 1 ATOM 1394 C CA . THR A 1 186 ? 17.350 -6.747 9.363 1.00 28.68 ? 527 THR A CA 1 ATOM 1395 C C . THR A 1 186 ? 16.753 -8.102 9.754 1.00 28.34 ? 527 THR A C 1 ATOM 1396 O O . THR A 1 186 ? 16.333 -8.873 8.890 1.00 29.03 ? 527 THR A O 1 ATOM 1397 C CB . THR A 1 186 ? 18.873 -6.887 9.254 1.00 28.31 ? 527 THR A CB 1 ATOM 1398 O OG1 . THR A 1 186 ? 19.429 -5.650 8.799 1.00 31.64 ? 527 THR A OG1 1 ATOM 1399 C CG2 . THR A 1 186 ? 19.231 -7.959 8.252 1.00 29.07 ? 527 THR A CG2 1 ATOM 1400 N N . GLY A 1 187 ? 16.720 -8.391 11.049 1.00 26.97 ? 528 GLY A N 1 ATOM 1401 C CA . GLY A 1 187 ? 16.165 -9.650 11.498 1.00 25.36 ? 528 GLY A CA 1 ATOM 1402 C C . GLY A 1 187 ? 14.679 -9.749 11.230 1.00 26.44 ? 528 GLY A C 1 ATOM 1403 O O . GLY A 1 187 ? 14.201 -10.765 10.723 1.00 27.66 ? 528 GLY A O 1 ATOM 1404 N N . ALA A 1 188 ? 13.944 -8.693 11.570 1.00 25.45 ? 529 ALA A N 1 ATOM 1405 C CA . ALA A 1 188 ? 12.501 -8.662 11.371 1.00 24.06 ? 529 ALA A CA 1 ATOM 1406 C C . ALA A 1 188 ? 12.146 -8.823 9.898 1.00 25.40 ? 529 ALA A C 1 ATOM 1407 O O . ALA A 1 188 ? 11.169 -9.478 9.562 1.00 27.15 ? 529 ALA A O 1 ATOM 1408 C CB . ALA A 1 188 ? 11.928 -7.362 11.895 1.00 21.42 ? 529 ALA A CB 1 ATOM 1409 N N . PHE A 1 189 ? 12.935 -8.224 9.017 1.00 25.42 ? 530 PHE A N 1 ATOM 1410 C CA . PHE A 1 189 ? 12.660 -8.322 7.595 1.00 25.18 ? 530 PHE A CA 1 ATOM 1411 C C . PHE A 1 189 ? 12.962 -9.729 7.058 1.00 27.76 ? 530 PHE A C 1 ATOM 1412 O O . PHE A 1 189 ? 12.270 -10.221 6.161 1.00 28.19 ? 530 PHE A O 1 ATOM 1413 C CB . PHE A 1 189 ? 13.466 -7.267 6.841 1.00 22.56 ? 530 PHE A CB 1 ATOM 1414 C CG . PHE A 1 189 ? 13.179 -7.235 5.385 1.00 19.88 ? 530 PHE A CG 1 ATOM 1415 C CD1 . PHE A 1 189 ? 11.910 -6.910 4.922 1.00 21.28 ? 530 PHE A CD1 1 ATOM 1416 C CD2 . PHE A 1 189 ? 14.155 -7.577 4.470 1.00 18.95 ? 530 PHE A CD2 1 ATOM 1417 C CE1 . PHE A 1 189 ? 11.618 -6.935 3.558 1.00 20.61 ? 530 PHE A CE1 1 ATOM 1418 C CE2 . PHE A 1 189 ? 13.874 -7.605 3.103 1.00 20.33 ? 530 PHE A CE2 1 ATOM 1419 C CZ . PHE A 1 189 ? 12.604 -7.283 2.646 1.00 17.63 ? 530 PHE A CZ 1 ATOM 1420 N N . ARG A 1 190 ? 13.993 -10.371 7.606 1.00 28.31 ? 531 ARG A N 1 ATOM 1421 C CA . ARG A 1 190 ? 14.357 -11.727 7.201 1.00 29.86 ? 531 ARG A CA 1 ATOM 1422 C C . ARG A 1 190 ? 13.247 -12.676 7.647 1.00 30.59 ? 531 ARG A C 1 ATOM 1423 O O . ARG A 1 190 ? 12.949 -13.683 7.001 1.00 31.33 ? 531 ARG A O 1 ATOM 1424 C CB . ARG A 1 190 ? 15.666 -12.148 7.862 1.00 29.69 ? 531 ARG A CB 1 ATOM 1425 C CG . ARG A 1 190 ? 15.978 -13.624 7.686 1.00 31.04 ? 531 ARG A CG 1 ATOM 1426 C CD . ARG A 1 190 ? 17.311 -14.001 8.308 1.00 31.22 ? 531 ARG A CD 1 ATOM 1427 N NE . ARG A 1 190 ? 17.804 -15.274 7.790 1.00 34.04 ? 531 ARG A NE 1 ATOM 1428 C CZ . ARG A 1 190 ? 18.956 -15.840 8.141 1.00 34.64 ? 531 ARG A CZ 1 ATOM 1429 N NH1 . ARG A 1 190 ? 19.744 -15.248 9.023 1.00 35.85 ? 531 ARG A NH1 1 ATOM 1430 N NH2 . ARG A 1 190 ? 19.327 -16.994 7.601 1.00 34.40 ? 531 ARG A NH2 1 ATOM 1431 N N . CYS A 1 191 ? 12.645 -12.328 8.775 1.00 30.51 ? 532 CYS A N 1 ATOM 1432 C CA . CYS A 1 191 ? 11.560 -13.088 9.365 1.00 29.53 ? 532 CYS A CA 1 ATOM 1433 C C . CYS A 1 191 ? 10.395 -13.136 8.374 1.00 29.77 ? 532 CYS A C 1 ATOM 1434 O O . CYS A 1 191 ? 9.757 -14.173 8.197 1.00 30.84 ? 532 CYS A O 1 ATOM 1435 C CB . CYS A 1 191 ? 11.195 -12.404 10.674 1.00 28.02 ? 532 CYS A CB 1 ATOM 1436 S SG . CYS A 1 191 ? 9.667 -12.843 11.541 1.00 27.95 ? 532 CYS A SG 1 ATOM 1437 N N . LEU A 1 192 ? 10.138 -12.012 7.713 1.00 28.69 ? 533 LEU A N 1 ATOM 1438 C CA . LEU A 1 192 ? 9.077 -11.938 6.722 1.00 29.79 ? 533 LEU A CA 1 ATOM 1439 C C . LEU A 1 192 ? 9.572 -12.581 5.428 1.00 31.45 ? 533 LEU A C 1 ATOM 1440 O O . LEU A 1 192 ? 8.843 -13.316 4.764 1.00 31.69 ? 533 LEU A O 1 ATOM 1441 C CB . LEU A 1 192 ? 8.707 -10.481 6.447 1.00 26.68 ? 533 LEU A CB 1 ATOM 1442 C CG . LEU A 1 192 ? 7.858 -10.240 5.191 1.00 27.01 ? 533 LEU A CG 1 ATOM 1443 C CD1 . LEU A 1 192 ? 6.398 -10.590 5.465 1.00 23.93 ? 533 LEU A CD1 1 ATOM 1444 C CD2 . LEU A 1 192 ? 7.986 -8.785 4.764 1.00 22.66 ? 533 LEU A CD2 1 ATOM 1445 N N . ALA A 1 193 ? 10.822 -12.301 5.079 1.00 33.35 ? 534 ALA A N 1 ATOM 1446 C CA . ALA A 1 193 ? 11.413 -12.831 3.852 1.00 35.97 ? 534 ALA A CA 1 ATOM 1447 C C . ALA A 1 193 ? 11.421 -14.354 3.783 1.00 36.71 ? 534 ALA A C 1 ATOM 1448 O O . ALA A 1 193 ? 11.346 -14.926 2.698 1.00 37.05 ? 534 ALA A O 1 ATOM 1449 C CB . ALA A 1 193 ? 12.833 -12.298 3.681 1.00 34.23 ? 534 ALA A CB 1 ATOM 1450 N N . GLU A 1 194 ? 11.519 -15.015 4.931 1.00 36.93 ? 535 GLU A N 1 ATOM 1451 C CA . GLU A 1 194 ? 11.538 -16.472 4.936 1.00 37.46 ? 535 GLU A CA 1 ATOM 1452 C C . GLU A 1 194 ? 10.147 -17.007 5.226 1.00 38.24 ? 535 GLU A C 1 ATOM 1453 O O . GLU A 1 194 ? 9.965 -18.195 5.488 1.00 38.96 ? 535 GLU A O 1 ATOM 1454 C CB . GLU A 1 194 ? 12.517 -16.998 5.980 1.00 37.23 ? 535 GLU A CB 1 ATOM 1455 C CG . GLU A 1 194 ? 13.888 -16.376 5.904 1.00 39.05 ? 535 GLU A CG 1 ATOM 1456 C CD . GLU A 1 194 ? 14.865 -16.988 6.898 1.00 41.37 ? 535 GLU A CD 1 ATOM 1457 O OE1 . GLU A 1 194 ? 14.460 -17.279 8.043 1.00 42.34 ? 535 GLU A OE1 1 ATOM 1458 O OE2 . GLU A 1 194 ? 16.047 -17.167 6.539 1.00 43.85 ? 535 GLU A OE2 1 ATOM 1459 N N . ASP A 1 195 ? 9.167 -16.112 5.188 1.00 38.41 ? 536 ASP A N 1 ATOM 1460 C CA . ASP A 1 195 ? 7.776 -16.480 5.416 1.00 38.10 ? 536 ASP A CA 1 ATOM 1461 C C . ASP A 1 195 ? 7.501 -17.124 6.760 1.00 36.39 ? 536 ASP A C 1 ATOM 1462 O O . ASP A 1 195 ? 6.715 -18.060 6.865 1.00 35.96 ? 536 ASP A O 1 ATOM 1463 C CB . ASP A 1 195 ? 7.299 -17.388 4.285 1.00 39.11 ? 536 ASP A CB 1 ATOM 1464 C CG . ASP A 1 195 ? 7.284 -16.672 2.950 1.00 40.73 ? 536 ASP A CG 1 ATOM 1465 O OD1 . ASP A 1 195 ? 6.532 -15.682 2.820 1.00 39.89 ? 536 ASP A OD1 1 ATOM 1466 O OD2 . ASP A 1 195 ? 8.033 -17.089 2.040 1.00 42.07 ? 536 ASP A OD2 1 ATOM 1467 N N . VAL A 1 196 ? 8.162 -16.607 7.788 1.00 35.57 ? 537 VAL A N 1 ATOM 1468 C CA . VAL A 1 196 ? 7.975 -17.087 9.148 1.00 32.62 ? 537 VAL A CA 1 ATOM 1469 C C . VAL A 1 196 ? 6.812 -16.245 9.681 1.00 32.24 ? 537 VAL A C 1 ATOM 1470 O O . VAL A 1 196 ? 5.931 -16.738 10.395 1.00 31.57 ? 537 VAL A O 1 ATOM 1471 C CB . VAL A 1 196 ? 9.258 -16.853 9.979 1.00 31.61 ? 537 VAL A CB 1 ATOM 1472 C CG1 . VAL A 1 196 ? 8.984 -17.048 11.456 1.00 30.70 ? 537 VAL A CG1 1 ATOM 1473 C CG2 . VAL A 1 196 ? 10.342 -17.800 9.517 1.00 29.06 ? 537 VAL A CG2 1 ATOM 1474 N N . GLY A 1 197 ? 6.818 -14.970 9.298 1.00 29.78 ? 538 GLY A N 1 ATOM 1475 C CA . GLY A 1 197 ? 5.766 -14.062 9.697 1.00 28.45 ? 538 GLY A CA 1 ATOM 1476 C C . GLY A 1 197 ? 5.025 -13.557 8.473 1.00 28.05 ? 538 GLY A C 1 ATOM 1477 O O . GLY A 1 197 ? 5.512 -13.683 7.349 1.00 28.08 ? 538 GLY A O 1 ATOM 1478 N N . ASP A 1 198 ? 3.846 -12.984 8.691 1.00 28.94 ? 539 ASP A N 1 ATOM 1479 C CA . ASP A 1 198 ? 3.027 -12.454 7.609 1.00 30.21 ? 539 ASP A CA 1 ATOM 1480 C C . ASP A 1 198 ? 3.338 -10.982 7.320 1.00 30.87 ? 539 ASP A C 1 ATOM 1481 O O . ASP A 1 198 ? 3.167 -10.504 6.196 1.00 31.31 ? 539 ASP A O 1 ATOM 1482 C CB . ASP A 1 198 ? 1.553 -12.629 7.967 1.00 30.77 ? 539 ASP A CB 1 ATOM 1483 C CG . ASP A 1 198 ? 1.187 -14.087 8.199 1.00 32.45 ? 539 ASP A CG 1 ATOM 1484 O OD1 . ASP A 1 198 ? 1.499 -14.919 7.318 1.00 32.74 ? 539 ASP A OD1 1 ATOM 1485 O OD2 . ASP A 1 198 ? 0.590 -14.403 9.250 1.00 31.78 ? 539 ASP A OD2 1 ATOM 1486 N N . VAL A 1 199 ? 3.802 -10.275 8.348 1.00 31.35 ? 540 VAL A N 1 ATOM 1487 C CA . VAL A 1 199 ? 4.164 -8.865 8.240 1.00 29.57 ? 540 VAL A CA 1 ATOM 1488 C C . VAL A 1 199 ? 5.376 -8.557 9.119 1.00 31.19 ? 540 VAL A C 1 ATOM 1489 O O . VAL A 1 199 ? 5.642 -9.235 10.122 1.00 31.63 ? 540 VAL A O 1 ATOM 1490 C CB . VAL A 1 199 ? 2.992 -7.928 8.651 1.00 26.46 ? 540 VAL A CB 1 ATOM 1491 C CG1 . VAL A 1 199 ? 2.457 -8.319 10.017 1.00 25.29 ? 540 VAL A CG1 1 ATOM 1492 C CG2 . VAL A 1 199 ? 3.456 -6.478 8.659 1.00 23.83 ? 540 VAL A CG2 1 ATOM 1493 N N . ALA A 1 200 ? 6.110 -7.532 8.721 1.00 29.61 ? 541 ALA A N 1 ATOM 1494 C CA . ALA A 1 200 ? 7.282 -7.117 9.447 1.00 28.97 ? 541 ALA A CA 1 ATOM 1495 C C . ALA A 1 200 ? 7.204 -5.621 9.633 1.00 29.40 ? 541 ALA A C 1 ATOM 1496 O O . ALA A 1 200 ? 6.912 -4.877 8.698 1.00 29.10 ? 541 ALA A O 1 ATOM 1497 C CB . ALA A 1 200 ? 8.529 -7.473 8.677 1.00 28.25 ? 541 ALA A CB 1 ATOM 1498 N N . PHE A 1 201 ? 7.459 -5.187 10.854 1.00 29.39 ? 542 PHE A N 1 ATOM 1499 C CA . PHE A 1 201 ? 7.440 -3.783 11.158 1.00 27.68 ? 542 PHE A CA 1 ATOM 1500 C C . PHE A 1 201 ? 8.883 -3.313 11.246 1.00 28.65 ? 542 PHE A C 1 ATOM 1501 O O . PHE A 1 201 ? 9.607 -3.596 12.211 1.00 29.09 ? 542 PHE A O 1 ATOM 1502 C CB . PHE A 1 201 ? 6.700 -3.571 12.459 1.00 26.73 ? 542 PHE A CB 1 ATOM 1503 C CG . PHE A 1 201 ? 5.295 -4.100 12.437 1.00 25.84 ? 542 PHE A CG 1 ATOM 1504 C CD1 . PHE A 1 201 ? 4.272 -3.380 11.814 1.00 24.55 ? 542 PHE A CD1 1 ATOM 1505 C CD2 . PHE A 1 201 ? 4.988 -5.301 13.058 1.00 24.01 ? 542 PHE A CD2 1 ATOM 1506 C CE1 . PHE A 1 201 ? 2.961 -3.847 11.825 1.00 22.37 ? 542 PHE A CE1 1 ATOM 1507 C CE2 . PHE A 1 201 ? 3.684 -5.775 13.074 1.00 25.25 ? 542 PHE A CE2 1 ATOM 1508 C CZ . PHE A 1 201 ? 2.663 -5.043 12.453 1.00 23.18 ? 542 PHE A CZ 1 ATOM 1509 N N . VAL A 1 202 ? 9.293 -2.613 10.196 1.00 27.39 ? 543 VAL A N 1 ATOM 1510 C CA . VAL A 1 202 ? 10.633 -2.071 10.079 1.00 26.17 ? 543 VAL A CA 1 ATOM 1511 C C . VAL A 1 202 ? 10.530 -0.634 9.564 1.00 25.96 ? 543 VAL A C 1 ATOM 1512 O O . VAL A 1 202 ? 9.513 0.033 9.757 1.00 26.30 ? 543 VAL A O 1 ATOM 1513 C CB . VAL A 1 202 ? 11.458 -2.928 9.106 1.00 25.25 ? 543 VAL A CB 1 ATOM 1514 C CG1 . VAL A 1 202 ? 11.648 -4.324 9.685 1.00 27.19 ? 543 VAL A CG1 1 ATOM 1515 C CG2 . VAL A 1 202 ? 10.742 -3.027 7.768 1.00 24.87 ? 543 VAL A CG2 1 ATOM 1516 N N . LYS A 1 203 ? 11.588 -0.142 8.937 1.00 26.56 ? 544 LYS A N 1 ATOM 1517 C CA . LYS A 1 203 ? 11.558 1.202 8.376 1.00 29.08 ? 544 LYS A CA 1 ATOM 1518 C C . LYS A 1 203 ? 11.719 1.006 6.881 1.00 30.61 ? 544 LYS A C 1 ATOM 1519 O O . LYS A 1 203 ? 12.238 -0.029 6.446 1.00 33.00 ? 544 LYS A O 1 ATOM 1520 C CB . LYS A 1 203 ? 12.697 2.060 8.923 1.00 28.44 ? 544 LYS A CB 1 ATOM 1521 C CG . LYS A 1 203 ? 14.077 1.477 8.739 1.00 29.53 ? 544 LYS A CG 1 ATOM 1522 C CD . LYS A 1 203 ? 15.131 2.415 9.301 1.00 27.92 ? 544 LYS A CD 1 ATOM 1523 C CE . LYS A 1 203 ? 16.511 1.811 9.156 1.00 29.47 ? 544 LYS A CE 1 ATOM 1524 N NZ . LYS A 1 203 ? 17.571 2.689 9.699 1.00 28.83 ? 544 LYS A NZ 1 ATOM 1525 N N . ASN A 1 204 ? 11.288 1.980 6.089 1.00 29.82 ? 545 ASN A N 1 ATOM 1526 C CA . ASN A 1 204 ? 11.388 1.834 4.646 1.00 30.30 ? 545 ASN A CA 1 ATOM 1527 C C . ASN A 1 204 ? 12.784 1.508 4.095 1.00 29.52 ? 545 ASN A C 1 ATOM 1528 O O . ASN A 1 204 ? 12.889 0.756 3.127 1.00 29.90 ? 545 ASN A O 1 ATOM 1529 C CB . ASN A 1 204 ? 10.818 3.085 3.956 1.00 32.61 ? 545 ASN A CB 1 ATOM 1530 C CG . ASN A 1 204 ? 11.109 3.125 2.446 1.00 36.05 ? 545 ASN A CG 1 ATOM 1531 O OD1 . ASN A 1 204 ? 10.413 2.521 1.625 1.00 40.82 ? 545 ASN A OD1 1 ATOM 1532 N ND2 . ASN A 1 204 ? 12.145 3.832 2.088 1.00 29.13 ? 545 ASN A ND2 1 ATOM 1533 N N . ASP A 1 205 ? 13.850 2.032 4.705 1.00 28.96 ? 546 ASP A N 1 ATOM 1534 C CA . ASP A 1 205 ? 15.202 1.785 4.184 1.00 27.64 ? 546 ASP A CA 1 ATOM 1535 C C . ASP A 1 205 ? 15.597 0.313 4.201 1.00 29.19 ? 546 ASP A C 1 ATOM 1536 O O . ASP A 1 205 ? 16.366 -0.153 3.357 1.00 28.18 ? 546 ASP A O 1 ATOM 1537 C CB . ASP A 1 205 ? 16.252 2.562 4.978 1.00 27.45 ? 546 ASP A CB 1 ATOM 1538 C CG . ASP A 1 205 ? 15.902 4.024 5.155 1.00 30.76 ? 546 ASP A CG 1 ATOM 1539 O OD1 . ASP A 1 205 ? 14.978 4.329 5.946 1.00 31.38 ? 546 ASP A OD1 1 ATOM 1540 O OD2 . ASP A 1 205 ? 16.560 4.869 4.507 1.00 31.27 ? 546 ASP A OD2 1 ATOM 1541 N N . THR A 1 206 ? 15.063 -0.414 5.173 1.00 29.91 ? 547 THR A N 1 ATOM 1542 C CA . THR A 1 206 ? 15.370 -1.824 5.342 1.00 29.98 ? 547 THR A CA 1 ATOM 1543 C C . THR A 1 206 ? 14.965 -2.657 4.149 1.00 30.28 ? 547 THR A C 1 ATOM 1544 O O . THR A 1 206 ? 15.639 -3.621 3.800 1.00 28.56 ? 547 THR A O 1 ATOM 1545 C CB . THR A 1 206 ? 14.680 -2.368 6.602 1.00 30.36 ? 547 THR A CB 1 ATOM 1546 O OG1 . THR A 1 206 ? 15.076 -1.569 7.720 1.00 34.49 ? 547 THR A OG1 1 ATOM 1547 C CG2 . THR A 1 206 ? 15.074 -3.817 6.862 1.00 26.87 ? 547 THR A CG2 1 ATOM 1548 N N . VAL A 1 207 ? 13.858 -2.280 3.525 1.00 32.67 ? 548 VAL A N 1 ATOM 1549 C CA . VAL A 1 207 ? 13.356 -3.003 2.371 1.00 34.62 ? 548 VAL A CA 1 ATOM 1550 C C . VAL A 1 207 ? 14.256 -2.775 1.162 1.00 35.76 ? 548 VAL A C 1 ATOM 1551 O O . VAL A 1 207 ? 14.524 -3.694 0.395 1.00 35.27 ? 548 VAL A O 1 ATOM 1552 C CB . VAL A 1 207 ? 11.938 -2.553 2.035 1.00 34.73 ? 548 VAL A CB 1 ATOM 1553 C CG1 . VAL A 1 207 ? 11.407 -3.363 0.890 1.00 34.86 ? 548 VAL A CG1 1 ATOM 1554 C CG2 . VAL A 1 207 ? 11.046 -2.701 3.259 1.00 36.13 ? 548 VAL A CG2 1 ATOM 1555 N N . TRP A 1 208 ? 14.739 -1.547 1.009 1.00 36.59 ? 549 TRP A N 1 ATOM 1556 C CA . TRP A 1 208 ? 15.614 -1.210 -0.108 1.00 38.05 ? 549 TRP A CA 1 ATOM 1557 C C . TRP A 1 208 ? 17.014 -1.789 0.016 1.00 38.83 ? 549 TRP A C 1 ATOM 1558 O O . TRP A 1 208 ? 17.605 -2.225 -0.968 1.00 39.98 ? 549 TRP A O 1 ATOM 1559 C CB . TRP A 1 208 ? 15.707 0.308 -0.261 1.00 39.60 ? 549 TRP A CB 1 ATOM 1560 C CG . TRP A 1 208 ? 14.432 0.905 -0.733 1.00 42.33 ? 549 TRP A CG 1 ATOM 1561 C CD1 . TRP A 1 208 ? 13.291 1.094 -0.003 1.00 42.83 ? 549 TRP A CD1 1 ATOM 1562 C CD2 . TRP A 1 208 ? 14.122 1.296 -2.074 1.00 43.98 ? 549 TRP A CD2 1 ATOM 1563 N NE1 . TRP A 1 208 ? 12.286 1.573 -0.812 1.00 44.25 ? 549 TRP A NE1 1 ATOM 1564 C CE2 . TRP A 1 208 ? 12.769 1.704 -2.089 1.00 44.47 ? 549 TRP A CE2 1 ATOM 1565 C CE3 . TRP A 1 208 ? 14.855 1.336 -3.269 1.00 44.92 ? 549 TRP A CE3 1 ATOM 1566 C CZ2 . TRP A 1 208 ? 12.133 2.147 -3.255 1.00 45.00 ? 549 TRP A CZ2 1 ATOM 1567 C CZ3 . TRP A 1 208 ? 14.222 1.776 -4.427 1.00 44.66 ? 549 TRP A CZ3 1 ATOM 1568 C CH2 . TRP A 1 208 ? 12.872 2.175 -4.410 1.00 45.02 ? 549 TRP A CH2 1 ATOM 1569 N N . GLU A 1 209 ? 17.538 -1.783 1.235 1.00 40.54 ? 550 GLU A N 1 ATOM 1570 C CA . GLU A 1 209 ? 18.876 -2.286 1.520 1.00 41.24 ? 550 GLU A CA 1 ATOM 1571 C C . GLU A 1 209 ? 19.043 -3.792 1.435 1.00 41.38 ? 550 GLU A C 1 ATOM 1572 O O . GLU A 1 209 ? 20.166 -4.279 1.331 1.00 41.65 ? 550 GLU A O 1 ATOM 1573 C CB . GLU A 1 209 ? 19.297 -1.854 2.918 1.00 43.32 ? 550 GLU A CB 1 ATOM 1574 C CG . GLU A 1 209 ? 19.714 -0.411 3.057 1.00 48.42 ? 550 GLU A CG 1 ATOM 1575 C CD . GLU A 1 209 ? 19.745 0.031 4.510 1.00 51.30 ? 550 GLU A CD 1 ATOM 1576 O OE1 . GLU A 1 209 ? 19.979 -0.822 5.397 1.00 53.96 ? 550 GLU A OE1 1 ATOM 1577 O OE2 . GLU A 1 209 ? 19.541 1.234 4.767 1.00 52.61 ? 550 GLU A OE2 1 ATOM 1578 N N . ASN A 1 210 ? 17.942 -4.536 1.483 1.00 41.98 ? 551 ASN A N 1 ATOM 1579 C CA . ASN A 1 210 ? 18.038 -5.992 1.465 1.00 42.31 ? 551 ASN A CA 1 ATOM 1580 C C . ASN A 1 210 ? 17.364 -6.698 0.309 1.00 41.84 ? 551 ASN A C 1 ATOM 1581 O O . ASN A 1 210 ? 17.049 -7.883 0.399 1.00 41.09 ? 551 ASN A O 1 ATOM 1582 C CB . ASN A 1 210 ? 17.501 -6.545 2.780 1.00 41.78 ? 551 ASN A CB 1 ATOM 1583 C CG . ASN A 1 210 ? 18.301 -6.068 3.969 1.00 42.20 ? 551 ASN A CG 1 ATOM 1584 O OD1 . ASN A 1 210 ? 19.418 -6.534 4.202 1.00 42.94 ? 551 ASN A OD1 1 ATOM 1585 N ND2 . ASN A 1 210 ? 17.744 -5.120 4.719 1.00 40.31 ? 551 ASN A ND2 1 ATOM 1586 N N . THR A 1 211 ? 17.157 -5.974 -0.781 1.00 41.99 ? 552 THR A N 1 ATOM 1587 C CA . THR A 1 211 ? 16.524 -6.544 -1.964 1.00 41.74 ? 552 THR A CA 1 ATOM 1588 C C . THR A 1 211 ? 17.268 -6.101 -3.225 1.00 42.91 ? 552 THR A C 1 ATOM 1589 O O . THR A 1 211 ? 18.105 -5.199 -3.178 1.00 42.22 ? 552 THR A O 1 ATOM 1590 C CB . THR A 1 211 ? 15.041 -6.097 -2.077 1.00 38.74 ? 552 THR A CB 1 ATOM 1591 O OG1 . THR A 1 211 ? 14.978 -4.666 -2.099 1.00 38.16 ? 552 THR A OG1 1 ATOM 1592 C CG2 . THR A 1 211 ? 14.218 -6.625 -0.903 1.00 33.92 ? 552 THR A CG2 1 ATOM 1593 N N . ASN A 1 212 ? 16.968 -6.755 -4.344 1.00 44.68 ? 553 ASN A N 1 ATOM 1594 C CA . ASN A 1 212 ? 17.575 -6.424 -5.635 1.00 45.33 ? 553 ASN A CA 1 ATOM 1595 C C . ASN A 1 212 ? 19.103 -6.433 -5.659 1.00 45.93 ? 553 ASN A C 1 ATOM 1596 O O . ASN A 1 212 ? 19.712 -5.585 -6.309 1.00 45.49 ? 553 ASN A O 1 ATOM 1597 C CB . ASN A 1 212 ? 17.082 -5.052 -6.099 1.00 45.46 ? 553 ASN A CB 1 ATOM 1598 C CG . ASN A 1 212 ? 15.610 -5.050 -6.483 1.00 46.38 ? 553 ASN A CG 1 ATOM 1599 O OD1 . ASN A 1 212 ? 14.805 -5.800 -5.935 1.00 45.92 ? 553 ASN A OD1 1 ATOM 1600 N ND2 . ASN A 1 212 ? 15.252 -4.183 -7.418 1.00 47.51 ? 553 ASN A ND2 1 ATOM 1601 N N . GLY A 1 213 ? 19.717 -7.382 -4.955 1.00 46.41 ? 554 GLY A N 1 ATOM 1602 C CA . GLY A 1 213 ? 21.169 -7.472 -4.947 1.00 47.53 ? 554 GLY A CA 1 ATOM 1603 C C . GLY A 1 213 ? 21.939 -6.522 -4.036 1.00 49.42 ? 554 GLY A C 1 ATOM 1604 O O . GLY A 1 213 ? 23.170 -6.532 -4.032 1.00 48.69 ? 554 GLY A O 1 ATOM 1605 N N . GLU A 1 214 ? 21.234 -5.697 -3.268 1.00 51.15 ? 555 GLU A N 1 ATOM 1606 C CA . GLU A 1 214 ? 21.889 -4.761 -2.355 1.00 53.40 ? 555 GLU A CA 1 ATOM 1607 C C . GLU A 1 214 ? 22.602 -5.488 -1.204 1.00 53.82 ? 555 GLU A C 1 ATOM 1608 O O . GLU A 1 214 ? 23.593 -4.991 -0.660 1.00 53.03 ? 555 GLU A O 1 ATOM 1609 C CB . GLU A 1 214 ? 20.865 -3.772 -1.775 1.00 54.56 ? 555 GLU A CB 1 ATOM 1610 C CG . GLU A 1 214 ? 20.437 -2.644 -2.709 1.00 56.46 ? 555 GLU A CG 1 ATOM 1611 C CD . GLU A 1 214 ? 21.580 -1.698 -3.054 1.00 58.80 ? 555 GLU A CD 1 ATOM 1612 O OE1 . GLU A 1 214 ? 22.451 -1.474 -2.186 1.00 60.48 ? 555 GLU A OE1 1 ATOM 1613 O OE2 . GLU A 1 214 ? 21.604 -1.165 -4.183 1.00 58.72 ? 555 GLU A OE2 1 ATOM 1614 N N . SER A 1 215 ? 22.089 -6.659 -0.835 1.00 54.21 ? 556 SER A N 1 ATOM 1615 C CA . SER A 1 215 ? 22.668 -7.447 0.247 1.00 54.80 ? 556 SER A CA 1 ATOM 1616 C C . SER A 1 215 ? 23.110 -8.805 -0.281 1.00 55.87 ? 556 SER A C 1 ATOM 1617 O O . SER A 1 215 ? 22.318 -9.536 -0.872 1.00 57.00 ? 556 SER A O 1 ATOM 1618 C CB . SER A 1 215 ? 21.643 -7.630 1.371 1.00 54.46 ? 556 SER A CB 1 ATOM 1619 O OG . SER A 1 215 ? 22.181 -8.363 2.460 1.00 52.56 ? 556 SER A OG 1 ATOM 1620 N N . THR A 1 216 ? 24.379 -9.133 -0.064 1.00 56.54 ? 557 THR A N 1 ATOM 1621 C CA . THR A 1 216 ? 24.951 -10.398 -0.511 1.00 57.68 ? 557 THR A CA 1 ATOM 1622 C C . THR A 1 216 ? 24.731 -11.518 0.509 1.00 57.28 ? 557 THR A C 1 ATOM 1623 O O . THR A 1 216 ? 25.451 -12.514 0.514 1.00 57.73 ? 557 THR A O 1 ATOM 1624 C CB . THR A 1 216 ? 26.452 -10.247 -0.736 1.00 59.53 ? 557 THR A CB 1 ATOM 1625 O OG1 . THR A 1 216 ? 27.086 -9.933 0.510 1.00 62.13 ? 557 THR A OG1 1 ATOM 1626 C CG2 . THR A 1 216 ? 26.725 -9.122 -1.718 1.00 60.71 ? 557 THR A CG2 1 ATOM 1627 N N . ALA A 1 217 ? 23.739 -11.344 1.373 1.00 56.41 ? 558 ALA A N 1 ATOM 1628 C CA . ALA A 1 217 ? 23.431 -12.332 2.391 1.00 55.45 ? 558 ALA A CA 1 ATOM 1629 C C . ALA A 1 217 ? 22.582 -13.429 1.777 1.00 55.54 ? 558 ALA A C 1 ATOM 1630 O O . ALA A 1 217 ? 21.597 -13.160 1.105 1.00 56.39 ? 558 ALA A O 1 ATOM 1631 C CB . ALA A 1 217 ? 22.692 -11.677 3.553 1.00 54.95 ? 558 ALA A CB 1 ATOM 1632 N N . ASP A 1 218 ? 22.976 -14.670 2.014 1.00 56.25 ? 559 ASP A N 1 ATOM 1633 C CA . ASP A 1 218 ? 22.271 -15.827 1.488 1.00 57.94 ? 559 ASP A CA 1 ATOM 1634 C C . ASP A 1 218 ? 20.751 -15.721 1.520 1.00 56.66 ? 559 ASP A C 1 ATOM 1635 O O . ASP A 1 218 ? 20.104 -16.017 0.522 1.00 58.54 ? 559 ASP A O 1 ATOM 1636 C CB . ASP A 1 218 ? 22.720 -17.073 2.245 1.00 62.40 ? 559 ASP A CB 1 ATOM 1637 C CG . ASP A 1 218 ? 23.564 -16.730 3.458 1.00 68.05 ? 559 ASP A CG 1 ATOM 1638 O OD1 . ASP A 1 218 ? 24.632 -16.095 3.278 1.00 68.94 ? 559 ASP A OD1 1 ATOM 1639 O OD2 . ASP A 1 218 ? 23.155 -17.083 4.586 1.00 71.31 ? 559 ASP A OD2 1 ATOM 1640 N N . TRP A 1 219 ? 20.177 -15.302 2.645 1.00 54.18 ? 560 TRP A N 1 ATOM 1641 C CA . TRP A 1 219 ? 18.719 -15.194 2.748 1.00 51.70 ? 560 TRP A CA 1 ATOM 1642 C C . TRP A 1 219 ? 18.116 -14.076 1.902 1.00 51.44 ? 560 TRP A C 1 ATOM 1643 O O . TRP A 1 219 ? 16.934 -14.132 1.558 1.00 51.42 ? 560 TRP A O 1 ATOM 1644 C CB . TRP A 1 219 ? 18.283 -14.976 4.205 1.00 49.53 ? 560 TRP A CB 1 ATOM 1645 C CG . TRP A 1 219 ? 18.783 -13.695 4.798 1.00 47.01 ? 560 TRP A CG 1 ATOM 1646 C CD1 . TRP A 1 219 ? 19.994 -13.481 5.393 1.00 46.02 ? 560 TRP A CD1 1 ATOM 1647 C CD2 . TRP A 1 219 ? 18.100 -12.437 4.813 1.00 46.65 ? 560 TRP A CD2 1 ATOM 1648 N NE1 . TRP A 1 219 ? 20.107 -12.168 5.779 1.00 45.78 ? 560 TRP A NE1 1 ATOM 1649 C CE2 . TRP A 1 219 ? 18.959 -11.504 5.436 1.00 46.08 ? 560 TRP A CE2 1 ATOM 1650 C CE3 . TRP A 1 219 ? 16.844 -12.005 4.359 1.00 46.12 ? 560 TRP A CE3 1 ATOM 1651 C CZ2 . TRP A 1 219 ? 18.605 -10.162 5.616 1.00 44.64 ? 560 TRP A CZ2 1 ATOM 1652 C CZ3 . TRP A 1 219 ? 16.492 -10.672 4.537 1.00 45.70 ? 560 TRP A CZ3 1 ATOM 1653 C CH2 . TRP A 1 219 ? 17.373 -9.766 5.163 1.00 44.96 ? 560 TRP A CH2 1 ATOM 1654 N N . ALA A 1 220 ? 18.922 -13.075 1.555 1.00 50.05 ? 561 ALA A N 1 ATOM 1655 C CA . ALA A 1 220 ? 18.424 -11.935 0.788 1.00 49.94 ? 561 ALA A CA 1 ATOM 1656 C C . ALA A 1 220 ? 18.910 -11.742 -0.649 1.00 49.29 ? 561 ALA A C 1 ATOM 1657 O O . ALA A 1 220 ? 18.367 -10.901 -1.361 1.00 48.59 ? 561 ALA A O 1 ATOM 1658 C CB . ALA A 1 220 ? 18.685 -10.655 1.575 1.00 49.68 ? 561 ALA A CB 1 ATOM 1659 N N . LYS A 1 221 ? 19.910 -12.503 -1.085 1.00 49.53 ? 562 LYS A N 1 ATOM 1660 C CA . LYS A 1 221 ? 20.442 -12.336 -2.439 1.00 49.34 ? 562 LYS A CA 1 ATOM 1661 C C . LYS A 1 221 ? 19.430 -12.466 -3.583 1.00 49.07 ? 562 LYS A C 1 ATOM 1662 O O . LYS A 1 221 ? 19.543 -11.765 -4.589 1.00 48.71 ? 562 LYS A O 1 ATOM 1663 C CB . LYS A 1 221 ? 21.625 -13.286 -2.671 1.00 48.58 ? 562 LYS A CB 1 ATOM 1664 C CG . LYS A 1 221 ? 21.294 -14.759 -2.671 1.00 49.03 ? 562 LYS A CG 1 ATOM 1665 C CD . LYS A 1 221 ? 22.570 -15.565 -2.814 1.00 48.57 ? 562 LYS A CD 1 ATOM 1666 C CE . LYS A 1 221 ? 22.296 -17.049 -2.943 1.00 49.41 ? 562 LYS A CE 1 ATOM 1667 N NZ . LYS A 1 221 ? 23.550 -17.831 -2.800 1.00 48.92 ? 562 LYS A NZ 1 ATOM 1668 N N . ASN A 1 222 ? 18.443 -13.345 -3.447 1.00 48.25 ? 563 ASN A N 1 ATOM 1669 C CA . ASN A 1 222 ? 17.451 -13.487 -4.502 1.00 49.03 ? 563 ASN A CA 1 ATOM 1670 C C . ASN A 1 222 ? 16.123 -12.830 -4.121 1.00 48.67 ? 563 ASN A C 1 ATOM 1671 O O . ASN A 1 222 ? 15.061 -13.219 -4.606 1.00 50.05 ? 563 ASN A O 1 ATOM 1672 C CB . ASN A 1 222 ? 17.251 -14.969 -4.848 1.00 51.74 ? 563 ASN A CB 1 ATOM 1673 C CG . ASN A 1 222 ? 17.701 -15.304 -6.266 1.00 54.18 ? 563 ASN A CG 1 ATOM 1674 O OD1 . ASN A 1 222 ? 16.939 -15.179 -7.230 1.00 57.04 ? 563 ASN A OD1 1 ATOM 1675 N ND2 . ASN A 1 222 ? 18.953 -15.715 -6.399 1.00 55.95 ? 563 ASN A ND2 1 ATOM 1676 N N . LEU A 1 223 ? 16.186 -11.832 -3.245 1.00 47.69 ? 564 LEU A N 1 ATOM 1677 C CA . LEU A 1 223 ? 14.984 -11.119 -2.836 1.00 46.53 ? 564 LEU A CA 1 ATOM 1678 C C . LEU A 1 223 ? 14.716 -9.995 -3.828 1.00 47.34 ? 564 LEU A C 1 ATOM 1679 O O . LEU A 1 223 ? 15.612 -9.229 -4.188 1.00 46.71 ? 564 LEU A O 1 ATOM 1680 C CB . LEU A 1 223 ? 15.130 -10.554 -1.420 1.00 43.53 ? 564 LEU A CB 1 ATOM 1681 C CG . LEU A 1 223 ? 14.966 -11.561 -0.283 1.00 41.34 ? 564 LEU A CG 1 ATOM 1682 C CD1 . LEU A 1 223 ? 15.068 -10.826 1.040 1.00 41.03 ? 564 LEU A CD1 1 ATOM 1683 C CD2 . LEU A 1 223 ? 13.627 -12.275 -0.389 1.00 37.05 ? 564 LEU A CD2 1 ATOM 1684 N N . LYS A 1 224 ? 13.471 -9.905 -4.269 1.00 47.96 ? 565 LYS A N 1 ATOM 1685 C CA . LYS A 1 224 ? 13.089 -8.904 -5.242 1.00 48.96 ? 565 LYS A CA 1 ATOM 1686 C C . LYS A 1 224 ? 12.106 -7.898 -4.643 1.00 49.27 ? 565 LYS A C 1 ATOM 1687 O O . LYS A 1 224 ? 11.121 -8.260 -4.000 1.00 48.72 ? 565 LYS A O 1 ATOM 1688 C CB . LYS A 1 224 ? 12.490 -9.606 -6.469 1.00 50.20 ? 565 LYS A CB 1 ATOM 1689 C CG . LYS A 1 224 ? 12.619 -8.836 -7.762 1.00 51.00 ? 565 LYS A CG 1 ATOM 1690 C CD . LYS A 1 224 ? 11.608 -7.711 -7.822 1.00 53.32 ? 565 LYS A CD 1 ATOM 1691 C CE . LYS A 1 224 ? 12.248 -6.414 -8.305 1.00 55.00 ? 565 LYS A CE 1 ATOM 1692 N NZ . LYS A 1 224 ? 11.253 -5.307 -8.401 1.00 54.11 ? 565 LYS A NZ 1 ATOM 1693 N N . ARG A 1 225 ? 12.409 -6.628 -4.872 1.00 49.38 ? 566 ARG A N 1 ATOM 1694 C CA . ARG A 1 225 ? 11.632 -5.489 -4.400 1.00 48.92 ? 566 ARG A CA 1 ATOM 1695 C C . ARG A 1 225 ? 10.145 -5.571 -4.785 1.00 48.97 ? 566 ARG A C 1 ATOM 1696 O O . ARG A 1 225 ? 9.278 -5.280 -3.971 1.00 48.93 ? 566 ARG A O 1 ATOM 1697 C CB . ARG A 1 225 ? 12.285 -4.225 -4.977 1.00 50.27 ? 566 ARG A CB 1 ATOM 1698 C CG . ARG A 1 225 ? 12.063 -2.917 -4.238 1.00 51.46 ? 566 ARG A CG 1 ATOM 1699 C CD . ARG A 1 225 ? 13.177 -1.926 -4.602 1.00 50.80 ? 566 ARG A CD 1 ATOM 1700 N NE . ARG A 1 225 ? 14.457 -2.295 -3.993 1.00 51.16 ? 566 ARG A NE 1 ATOM 1701 C CZ . ARG A 1 225 ? 15.647 -1.866 -4.408 1.00 51.80 ? 566 ARG A CZ 1 ATOM 1702 N NH1 . ARG A 1 225 ? 15.740 -1.048 -5.446 1.00 51.75 ? 566 ARG A NH1 1 ATOM 1703 N NH2 . ARG A 1 225 ? 16.751 -2.254 -3.782 1.00 51.79 ? 566 ARG A NH2 1 ATOM 1704 N N . GLU A 1 226 ? 9.850 -5.983 -6.016 1.00 50.24 ? 567 GLU A N 1 ATOM 1705 C CA . GLU A 1 226 ? 8.465 -6.070 -6.481 1.00 50.41 ? 567 GLU A CA 1 ATOM 1706 C C . GLU A 1 226 ? 7.650 -7.165 -5.806 1.00 49.02 ? 567 GLU A C 1 ATOM 1707 O O . GLU A 1 226 ? 6.439 -7.240 -5.996 1.00 50.49 ? 567 GLU A O 1 ATOM 1708 C CB . GLU A 1 226 ? 8.420 -6.275 -8.000 1.00 52.15 ? 567 GLU A CB 1 ATOM 1709 C CG . GLU A 1 226 ? 7.545 -5.258 -8.762 1.00 55.35 ? 567 GLU A CG 1 ATOM 1710 C CD . GLU A 1 226 ? 6.046 -5.403 -8.494 1.00 56.54 ? 567 GLU A CD 1 ATOM 1711 O OE1 . GLU A 1 226 ? 5.499 -6.511 -8.719 1.00 56.59 ? 567 GLU A OE1 1 ATOM 1712 O OE2 . GLU A 1 226 ? 5.417 -4.404 -8.071 1.00 55.41 ? 567 GLU A OE2 1 ATOM 1713 N N . ASP A 1 227 ? 8.305 -8.014 -5.024 1.00 46.98 ? 568 ASP A N 1 ATOM 1714 C CA . ASP A 1 227 ? 7.600 -9.088 -4.340 1.00 44.41 ? 568 ASP A CA 1 ATOM 1715 C C . ASP A 1 227 ? 7.133 -8.693 -2.952 1.00 42.57 ? 568 ASP A C 1 ATOM 1716 O O . ASP A 1 227 ? 6.684 -9.540 -2.179 1.00 43.18 ? 568 ASP A O 1 ATOM 1717 C CB . ASP A 1 227 ? 8.483 -10.327 -4.247 1.00 44.18 ? 568 ASP A CB 1 ATOM 1718 C CG . ASP A 1 227 ? 8.791 -10.906 -5.601 1.00 46.46 ? 568 ASP A CG 1 ATOM 1719 O OD1 . ASP A 1 227 ? 7.951 -10.726 -6.509 1.00 48.49 ? 568 ASP A OD1 1 ATOM 1720 O OD2 . ASP A 1 227 ? 9.849 -11.546 -5.760 1.00 45.22 ? 568 ASP A OD2 1 ATOM 1721 N N . PHE A 1 228 ? 7.228 -7.405 -2.643 1.00 39.13 ? 569 PHE A N 1 ATOM 1722 C CA . PHE A 1 228 ? 6.815 -6.909 -1.339 1.00 37.77 ? 569 PHE A CA 1 ATOM 1723 C C . PHE A 1 228 ? 5.821 -5.770 -1.484 1.00 37.26 ? 569 PHE A C 1 ATOM 1724 O O . PHE A 1 228 ? 5.733 -5.144 -2.540 1.00 36.54 ? 569 PHE A O 1 ATOM 1725 C CB . PHE A 1 228 ? 8.043 -6.445 -0.547 1.00 37.02 ? 569 PHE A CB 1 ATOM 1726 C CG . PHE A 1 228 ? 9.007 -7.552 -0.237 1.00 35.29 ? 569 PHE A CG 1 ATOM 1727 C CD1 . PHE A 1 228 ? 8.719 -8.481 0.755 1.00 35.61 ? 569 PHE A CD1 1 ATOM 1728 C CD2 . PHE A 1 228 ? 10.174 -7.695 -0.968 1.00 34.24 ? 569 PHE A CD2 1 ATOM 1729 C CE1 . PHE A 1 228 ? 9.577 -9.541 1.011 1.00 36.39 ? 569 PHE A CE1 1 ATOM 1730 C CE2 . PHE A 1 228 ? 11.040 -8.749 -0.724 1.00 37.45 ? 569 PHE A CE2 1 ATOM 1731 C CZ . PHE A 1 228 ? 10.742 -9.677 0.270 1.00 37.36 ? 569 PHE A CZ 1 ATOM 1732 N N . ARG A 1 229 ? 5.071 -5.509 -0.419 1.00 35.74 ? 570 ARG A N 1 ATOM 1733 C CA . ARG A 1 229 ? 4.081 -4.445 -0.427 1.00 35.94 ? 570 ARG A CA 1 ATOM 1734 C C . ARG A 1 229 ? 4.002 -3.777 0.933 1.00 34.88 ? 570 ARG A C 1 ATOM 1735 O O . ARG A 1 229 ? 4.265 -4.403 1.957 1.00 34.24 ? 570 ARG A O 1 ATOM 1736 C CB . ARG A 1 229 ? 2.702 -5.000 -0.805 1.00 36.62 ? 570 ARG A CB 1 ATOM 1737 C CG . ARG A 1 229 ? 2.537 -5.322 -2.276 1.00 37.94 ? 570 ARG A CG 1 ATOM 1738 C CD . ARG A 1 229 ? 2.322 -4.057 -3.096 1.00 43.98 ? 570 ARG A CD 1 ATOM 1739 N NE . ARG A 1 229 ? 2.232 -4.326 -4.532 1.00 47.94 ? 570 ARG A NE 1 ATOM 1740 C CZ . ARG A 1 229 ? 3.277 -4.532 -5.330 1.00 50.25 ? 570 ARG A CZ 1 ATOM 1741 N NH1 . ARG A 1 229 ? 4.512 -4.494 -4.839 1.00 51.69 ? 570 ARG A NH1 1 ATOM 1742 N NH2 . ARG A 1 229 ? 3.089 -4.793 -6.618 1.00 50.32 ? 570 ARG A NH2 1 ATOM 1743 N N . LEU A 1 230 ? 3.640 -2.499 0.928 1.00 33.41 ? 571 LEU A N 1 ATOM 1744 C CA . LEU A 1 230 ? 3.507 -1.735 2.152 1.00 32.87 ? 571 LEU A CA 1 ATOM 1745 C C . LEU A 1 230 ? 2.033 -1.660 2.486 1.00 34.20 ? 571 LEU A C 1 ATOM 1746 O O . LEU A 1 230 ? 1.205 -1.492 1.590 1.00 35.17 ? 571 LEU A O 1 ATOM 1747 C CB . LEU A 1 230 ? 4.040 -0.319 1.946 1.00 33.43 ? 571 LEU A CB 1 ATOM 1748 C CG . LEU A 1 230 ? 5.482 -0.213 1.441 1.00 34.06 ? 571 LEU A CG 1 ATOM 1749 C CD1 . LEU A 1 230 ? 5.794 1.221 1.077 1.00 32.81 ? 571 LEU A CD1 1 ATOM 1750 C CD2 . LEU A 1 230 ? 6.442 -0.740 2.505 1.00 33.17 ? 571 LEU A CD2 1 ATOM 1751 N N . LEU A 1 231 ? 1.709 -1.805 3.767 1.00 34.35 ? 572 LEU A N 1 ATOM 1752 C CA . LEU A 1 231 ? 0.330 -1.707 4.230 1.00 35.01 ? 572 LEU A CA 1 ATOM 1753 C C . LEU A 1 231 ? 0.099 -0.270 4.688 1.00 35.73 ? 572 LEU A C 1 ATOM 1754 O O . LEU A 1 231 ? 0.775 0.212 5.605 1.00 35.64 ? 572 LEU A O 1 ATOM 1755 C CB . LEU A 1 231 ? 0.078 -2.635 5.416 1.00 35.19 ? 572 LEU A CB 1 ATOM 1756 C CG . LEU A 1 231 ? 0.398 -4.116 5.252 1.00 37.89 ? 572 LEU A CG 1 ATOM 1757 C CD1 . LEU A 1 231 ? -0.238 -4.906 6.410 1.00 34.92 ? 572 LEU A CD1 1 ATOM 1758 C CD2 . LEU A 1 231 ? -0.132 -4.601 3.908 1.00 37.68 ? 572 LEU A CD2 1 ATOM 1759 N N . CYS A 1 232 ? -0.839 0.419 4.050 1.00 35.38 ? 573 CYS A N 1 ATOM 1760 C CA . CYS A 1 232 ? -1.126 1.792 4.430 1.00 35.62 ? 573 CYS A CA 1 ATOM 1761 C C . CYS A 1 232 ? -2.260 1.711 5.431 1.00 36.49 ? 573 CYS A C 1 ATOM 1762 O O . CYS A 1 232 ? -2.894 0.659 5.580 1.00 37.56 ? 573 CYS A O 1 ATOM 1763 C CB . CYS A 1 232 ? -1.522 2.615 3.207 1.00 34.35 ? 573 CYS A CB 1 ATOM 1764 S SG . CYS A 1 232 ? -0.623 2.104 1.706 1.00 36.50 ? 573 CYS A SG 1 ATOM 1765 N N . LEU A 1 233 ? -2.509 2.807 6.130 1.00 36.81 ? 574 LEU A N 1 ATOM 1766 C CA . LEU A 1 233 ? -3.558 2.819 7.132 1.00 37.95 ? 574 LEU A CA 1 ATOM 1767 C C . LEU A 1 233 ? -4.951 2.987 6.542 1.00 38.84 ? 574 LEU A C 1 ATOM 1768 O O . LEU A 1 233 ? -5.941 2.699 7.211 1.00 40.44 ? 574 LEU A O 1 ATOM 1769 C CB . LEU A 1 233 ? -3.278 3.925 8.148 1.00 38.42 ? 574 LEU A CB 1 ATOM 1770 C CG . LEU A 1 233 ? -1.961 3.746 8.906 1.00 38.10 ? 574 LEU A CG 1 ATOM 1771 C CD1 . LEU A 1 233 ? -1.588 5.039 9.597 1.00 38.87 ? 574 LEU A CD1 1 ATOM 1772 C CD2 . LEU A 1 233 ? -2.094 2.597 9.908 1.00 37.11 ? 574 LEU A CD2 1 ATOM 1773 N N . ASP A 1 234 ? -5.045 3.445 5.295 1.00 39.61 ? 575 ASP A N 1 ATOM 1774 C CA . ASP A 1 234 ? -6.363 3.620 4.689 1.00 40.26 ? 575 ASP A CA 1 ATOM 1775 C C . ASP A 1 234 ? -6.914 2.294 4.181 1.00 41.43 ? 575 ASP A C 1 ATOM 1776 O O . ASP A 1 234 ? -7.966 2.251 3.545 1.00 42.86 ? 575 ASP A O 1 ATOM 1777 C CB . ASP A 1 234 ? -6.329 4.645 3.544 1.00 39.12 ? 575 ASP A CB 1 ATOM 1778 C CG . ASP A 1 234 ? -5.396 4.245 2.418 1.00 40.86 ? 575 ASP A CG 1 ATOM 1779 O OD1 . ASP A 1 234 ? -5.111 3.039 2.279 1.00 41.48 ? 575 ASP A OD1 1 ATOM 1780 O OD2 . ASP A 1 234 ? -4.955 5.135 1.654 1.00 40.53 ? 575 ASP A OD2 1 ATOM 1781 N N . GLY A 1 235 ? -6.195 1.212 4.470 1.00 42.01 ? 576 GLY A N 1 ATOM 1782 C CA . GLY A 1 235 ? -6.623 -0.105 4.047 1.00 39.97 ? 576 GLY A CA 1 ATOM 1783 C C . GLY A 1 235 ? -5.998 -0.623 2.761 1.00 39.71 ? 576 GLY A C 1 ATOM 1784 O O . GLY A 1 235 ? -6.119 -1.806 2.460 1.00 41.49 ? 576 GLY A O 1 ATOM 1785 N N . THR A 1 236 ? -5.318 0.227 2.001 1.00 37.97 ? 577 THR A N 1 ATOM 1786 C CA . THR A 1 236 ? -4.724 -0.214 0.737 1.00 36.78 ? 577 THR A CA 1 ATOM 1787 C C . THR A 1 236 ? -3.348 -0.869 0.832 1.00 36.77 ? 577 THR A C 1 ATOM 1788 O O . THR A 1 236 ? -2.818 -1.089 1.921 1.00 36.85 ? 577 THR A O 1 ATOM 1789 C CB . THR A 1 236 ? -4.611 0.951 -0.261 1.00 36.77 ? 577 THR A CB 1 ATOM 1790 O OG1 . THR A 1 236 ? -3.705 1.941 0.247 1.00 36.32 ? 577 THR A OG1 1 ATOM 1791 C CG2 . THR A 1 236 ? -5.969 1.581 -0.480 1.00 35.42 ? 577 THR A CG2 1 ATOM 1792 N N . ARG A 1 237 ? -2.783 -1.176 -0.333 1.00 34.53 ? 578 ARG A N 1 ATOM 1793 C CA . ARG A 1 237 ? -1.472 -1.806 -0.439 1.00 34.00 ? 578 ARG A CA 1 ATOM 1794 C C . ARG A 1 237 ? -0.742 -1.135 -1.584 1.00 35.64 ? 578 ARG A C 1 ATOM 1795 O O . ARG A 1 237 ? -1.265 -1.053 -2.690 1.00 37.28 ? 578 ARG A O 1 ATOM 1796 C CB . ARG A 1 237 ? -1.616 -3.295 -0.747 1.00 31.72 ? 578 ARG A CB 1 ATOM 1797 C CG . ARG A 1 237 ? -2.144 -4.128 0.392 1.00 30.72 ? 578 ARG A CG 1 ATOM 1798 C CD . ARG A 1 237 ? -2.709 -5.436 -0.119 1.00 31.64 ? 578 ARG A CD 1 ATOM 1799 N NE . ARG A 1 237 ? -1.745 -6.227 -0.884 1.00 32.00 ? 578 ARG A NE 1 ATOM 1800 C CZ . ARG A 1 237 ? -1.241 -7.390 -0.477 1.00 32.03 ? 578 ARG A CZ 1 ATOM 1801 N NH1 . ARG A 1 237 ? -1.608 -7.898 0.693 1.00 30.33 ? 578 ARG A NH1 1 ATOM 1802 N NH2 . ARG A 1 237 ? -0.387 -8.058 -1.245 1.00 31.21 ? 578 ARG A NH2 1 ATOM 1803 N N . LYS A 1 238 ? 0.471 -0.666 -1.335 1.00 35.85 ? 579 LYS A N 1 ATOM 1804 C CA . LYS A 1 238 ? 1.207 0.013 -2.383 1.00 36.06 ? 579 LYS A CA 1 ATOM 1805 C C . LYS A 1 238 ? 2.601 -0.527 -2.547 1.00 36.08 ? 579 LYS A C 1 ATOM 1806 O O . LYS A 1 238 ? 3.125 -1.195 -1.661 1.00 37.62 ? 579 LYS A O 1 ATOM 1807 C CB . LYS A 1 238 ? 1.302 1.509 -2.076 1.00 37.18 ? 579 LYS A CB 1 ATOM 1808 C CG . LYS A 1 238 ? -0.028 2.226 -1.962 1.00 39.20 ? 579 LYS A CG 1 ATOM 1809 C CD . LYS A 1 238 ? 0.208 3.710 -1.781 1.00 42.28 ? 579 LYS A CD 1 ATOM 1810 C CE . LYS A 1 238 ? -1.083 4.448 -1.514 1.00 43.88 ? 579 LYS A CE 1 ATOM 1811 N NZ . LYS A 1 238 ? -0.812 5.888 -1.258 1.00 47.90 ? 579 LYS A NZ 1 ATOM 1812 N N . PRO A 1 239 ? 3.214 -0.268 -3.707 1.00 36.32 ? 580 PRO A N 1 ATOM 1813 C CA . PRO A 1 239 ? 4.577 -0.737 -3.950 1.00 37.35 ? 580 PRO A CA 1 ATOM 1814 C C . PRO A 1 239 ? 5.491 -0.068 -2.921 1.00 38.24 ? 580 PRO A C 1 ATOM 1815 O O . PRO A 1 239 ? 5.179 1.000 -2.387 1.00 37.32 ? 580 PRO A O 1 ATOM 1816 C CB . PRO A 1 239 ? 4.854 -0.255 -5.366 1.00 36.23 ? 580 PRO A CB 1 ATOM 1817 C CG . PRO A 1 239 ? 3.515 -0.381 -6.006 1.00 37.06 ? 580 PRO A CG 1 ATOM 1818 C CD . PRO A 1 239 ? 2.589 0.191 -4.959 1.00 35.63 ? 580 PRO A CD 1 ATOM 1819 N N . VAL A 1 240 ? 6.621 -0.692 -2.636 1.00 39.59 ? 581 VAL A N 1 ATOM 1820 C CA . VAL A 1 240 ? 7.531 -0.129 -1.658 1.00 38.63 ? 581 VAL A CA 1 ATOM 1821 C C . VAL A 1 240 ? 8.147 1.159 -2.192 1.00 38.11 ? 581 VAL A C 1 ATOM 1822 O O . VAL A 1 240 ? 9.068 1.706 -1.595 1.00 38.36 ? 581 VAL A O 1 ATOM 1823 C CB . VAL A 1 240 ? 8.645 -1.138 -1.282 1.00 37.88 ? 581 VAL A CB 1 ATOM 1824 C CG1 . VAL A 1 240 ? 8.025 -2.469 -0.886 1.00 33.65 ? 581 VAL A CG1 1 ATOM 1825 C CG2 . VAL A 1 240 ? 9.601 -1.314 -2.436 1.00 36.39 ? 581 VAL A CG2 1 ATOM 1826 N N . THR A 1 241 ? 7.635 1.641 -3.319 1.00 37.67 ? 582 THR A N 1 ATOM 1827 C CA . THR A 1 241 ? 8.142 2.880 -3.905 1.00 37.30 ? 582 THR A CA 1 ATOM 1828 C C . THR A 1 241 ? 7.280 4.050 -3.454 1.00 37.20 ? 582 THR A C 1 ATOM 1829 O O . THR A 1 241 ? 7.621 5.203 -3.698 1.00 36.93 ? 582 THR A O 1 ATOM 1830 C CB . THR A 1 241 ? 8.121 2.845 -5.448 1.00 36.54 ? 582 THR A CB 1 ATOM 1831 O OG1 . THR A 1 241 ? 6.823 2.449 -5.900 1.00 39.53 ? 582 THR A OG1 1 ATOM 1832 C CG2 . THR A 1 241 ? 9.149 1.874 -5.979 1.00 35.38 ? 582 THR A CG2 1 ATOM 1833 N N . GLU A 1 242 ? 6.169 3.742 -2.788 1.00 38.35 ? 583 GLU A N 1 ATOM 1834 C CA . GLU A 1 242 ? 5.242 4.762 -2.314 1.00 38.59 ? 583 GLU A CA 1 ATOM 1835 C C . GLU A 1 242 ? 5.329 4.940 -0.822 1.00 38.92 ? 583 GLU A C 1 ATOM 1836 O O . GLU A 1 242 ? 4.349 5.318 -0.193 1.00 39.55 ? 583 GLU A O 1 ATOM 1837 C CB . GLU A 1 242 ? 3.798 4.387 -2.654 1.00 41.43 ? 583 GLU A CB 1 ATOM 1838 C CG . GLU A 1 242 ? 3.567 4.049 -4.107 1.00 45.51 ? 583 GLU A CG 1 ATOM 1839 C CD . GLU A 1 242 ? 4.204 5.057 -5.019 1.00 47.93 ? 583 GLU A CD 1 ATOM 1840 O OE1 . GLU A 1 242 ? 4.830 4.633 -6.011 1.00 51.22 ? 583 GLU A OE1 1 ATOM 1841 O OE2 . GLU A 1 242 ? 4.082 6.269 -4.744 1.00 48.95 ? 583 GLU A OE2 1 ATOM 1842 N N . ALA A 1 243 ? 6.491 4.672 -0.245 1.00 39.54 ? 584 ALA A N 1 ATOM 1843 C CA . ALA A 1 243 ? 6.638 4.811 1.196 1.00 40.65 ? 584 ALA A CA 1 ATOM 1844 C C . ALA A 1 243 ? 6.260 6.215 1.679 1.00 41.38 ? 584 ALA A C 1 ATOM 1845 O O . ALA A 1 243 ? 5.625 6.379 2.726 1.00 39.83 ? 584 ALA A O 1 ATOM 1846 C CB . ALA A 1 243 ? 8.066 4.480 1.607 1.00 39.51 ? 584 ALA A CB 1 ATOM 1847 N N . GLN A 1 244 ? 6.644 7.222 0.904 1.00 42.79 ? 585 GLN A N 1 ATOM 1848 C CA . GLN A 1 244 ? 6.362 8.603 1.264 1.00 44.21 ? 585 GLN A CA 1 ATOM 1849 C C . GLN A 1 244 ? 4.877 8.858 1.508 1.00 42.82 ? 585 GLN A C 1 ATOM 1850 O O . GLN A 1 244 ? 4.512 9.786 2.223 1.00 42.08 ? 585 GLN A O 1 ATOM 1851 C CB . GLN A 1 244 ? 6.889 9.543 0.170 1.00 46.52 ? 585 GLN A CB 1 ATOM 1852 C CG . GLN A 1 244 ? 6.911 11.002 0.585 1.00 51.90 ? 585 GLN A CG 1 ATOM 1853 C CD . GLN A 1 244 ? 7.752 11.247 1.833 1.00 56.21 ? 585 GLN A CD 1 ATOM 1854 O OE1 . GLN A 1 244 ? 7.372 12.028 2.708 1.00 58.36 ? 585 GLN A OE1 1 ATOM 1855 N NE2 . GLN A 1 244 ? 8.905 10.587 1.916 1.00 58.25 ? 585 GLN A NE2 1 ATOM 1856 N N . SER A 1 245 ? 4.024 8.019 0.929 1.00 42.52 ? 586 SER A N 1 ATOM 1857 C CA . SER A 1 245 ? 2.579 8.180 1.074 1.00 42.23 ? 586 SER A CA 1 ATOM 1858 C C . SER A 1 245 ? 1.873 6.948 1.643 1.00 42.16 ? 586 SER A C 1 ATOM 1859 O O . SER A 1 245 ? 0.656 6.809 1.510 1.00 42.52 ? 586 SER A O 1 ATOM 1860 C CB . SER A 1 245 ? 1.961 8.528 -0.284 1.00 42.65 ? 586 SER A CB 1 ATOM 1861 O OG . SER A 1 245 ? 2.245 7.526 -1.247 1.00 40.60 ? 586 SER A OG 1 ATOM 1862 N N . CYS A 1 246 ? 2.634 6.062 2.281 1.00 41.26 ? 587 CYS A N 1 ATOM 1863 C CA . CYS A 1 246 ? 2.076 4.840 2.861 1.00 38.04 ? 587 CYS A CA 1 ATOM 1864 C C . CYS A 1 246 ? 2.968 4.361 4.013 1.00 36.66 ? 587 CYS A C 1 ATOM 1865 O O . CYS A 1 246 ? 3.626 3.322 3.925 1.00 38.14 ? 587 CYS A O 1 ATOM 1866 C CB . CYS A 1 246 ? 1.960 3.771 1.763 1.00 35.97 ? 587 CYS A CB 1 ATOM 1867 S SG . CYS A 1 246 ? 1.337 2.124 2.240 1.00 35.02 ? 587 CYS A SG 1 ATOM 1868 N N . HIS A 1 247 ? 3.000 5.142 5.088 1.00 34.43 ? 588 HIS A N 1 ATOM 1869 C CA . HIS A 1 247 ? 3.795 4.806 6.264 1.00 32.66 ? 588 HIS A CA 1 ATOM 1870 C C . HIS A 1 247 ? 2.935 4.945 7.516 1.00 31.70 ? 588 HIS A C 1 ATOM 1871 O O . HIS A 1 247 ? 1.929 5.652 7.514 1.00 32.18 ? 588 HIS A O 1 ATOM 1872 C CB . HIS A 1 247 ? 5.018 5.719 6.363 1.00 32.93 ? 588 HIS A CB 1 ATOM 1873 C CG . HIS A 1 247 ? 4.695 7.175 6.251 1.00 34.54 ? 588 HIS A CG 1 ATOM 1874 N ND1 . HIS A 1 247 ? 4.808 7.876 5.070 1.00 35.32 ? 588 HIS A ND1 1 ATOM 1875 C CD2 . HIS A 1 247 ? 4.225 8.055 7.166 1.00 34.82 ? 588 HIS A CD2 1 ATOM 1876 C CE1 . HIS A 1 247 ? 4.421 9.124 5.262 1.00 35.21 ? 588 HIS A CE1 1 ATOM 1877 N NE2 . HIS A 1 247 ? 4.062 9.258 6.526 1.00 34.43 ? 588 HIS A NE2 1 ATOM 1878 N N . LEU A 1 248 ? 3.325 4.260 8.584 1.00 31.37 ? 589 LEU A N 1 ATOM 1879 C CA . LEU A 1 248 ? 2.573 4.313 9.832 1.00 29.85 ? 589 LEU A CA 1 ATOM 1880 C C . LEU A 1 248 ? 2.905 5.585 10.593 1.00 30.02 ? 589 LEU A C 1 ATOM 1881 O O . LEU A 1 248 ? 2.090 6.106 11.357 1.00 29.37 ? 589 LEU A O 1 ATOM 1882 C CB . LEU A 1 248 ? 2.896 3.093 10.695 1.00 26.81 ? 589 LEU A CB 1 ATOM 1883 C CG . LEU A 1 248 ? 2.753 1.760 9.966 1.00 26.28 ? 589 LEU A CG 1 ATOM 1884 C CD1 . LEU A 1 248 ? 2.907 0.610 10.937 1.00 27.97 ? 589 LEU A CD1 1 ATOM 1885 C CD2 . LEU A 1 248 ? 1.396 1.705 9.300 1.00 29.01 ? 589 LEU A CD2 1 ATOM 1886 N N . ALA A 1 249 ? 4.109 6.091 10.367 1.00 30.91 ? 590 ALA A N 1 ATOM 1887 C CA . ALA A 1 249 ? 4.563 7.293 11.043 1.00 31.65 ? 590 ALA A CA 1 ATOM 1888 C C . ALA A 1 249 ? 5.994 7.566 10.625 1.00 31.86 ? 590 ALA A C 1 ATOM 1889 O O . ALA A 1 249 ? 6.645 6.707 10.038 1.00 33.40 ? 590 ALA A O 1 ATOM 1890 C CB . ALA A 1 249 ? 4.497 7.090 12.559 1.00 30.34 ? 590 ALA A CB 1 ATOM 1891 N N . VAL A 1 250 ? 6.474 8.770 10.913 1.00 32.78 ? 591 VAL A N 1 ATOM 1892 C CA . VAL A 1 250 ? 7.853 9.137 10.608 1.00 34.56 ? 591 VAL A CA 1 ATOM 1893 C C . VAL A 1 250 ? 8.550 9.158 11.975 1.00 32.94 ? 591 VAL A C 1 ATOM 1894 O O . VAL A 1 250 ? 8.115 9.838 12.895 1.00 34.27 ? 591 VAL A O 1 ATOM 1895 C CB . VAL A 1 250 ? 7.940 10.526 9.909 1.00 35.09 ? 591 VAL A CB 1 ATOM 1896 C CG1 . VAL A 1 250 ? 7.204 11.568 10.724 1.00 37.20 ? 591 VAL A CG1 1 ATOM 1897 C CG2 . VAL A 1 250 ? 9.388 10.934 9.728 1.00 35.52 ? 591 VAL A CG2 1 ATOM 1898 N N . ALA A 1 251 ? 9.622 8.389 12.102 1.00 30.91 ? 592 ALA A N 1 ATOM 1899 C CA . ALA A 1 251 ? 10.349 8.281 13.354 1.00 28.35 ? 592 ALA A CA 1 ATOM 1900 C C . ALA A 1 251 ? 11.615 9.129 13.479 1.00 27.51 ? 592 ALA A C 1 ATOM 1901 O O . ALA A 1 251 ? 12.317 9.365 12.501 1.00 26.28 ? 592 ALA A O 1 ATOM 1902 C CB . ALA A 1 251 ? 10.691 6.822 13.591 1.00 28.36 ? 592 ALA A CB 1 ATOM 1903 N N . PRO A 1 252 ? 11.927 9.592 14.703 1.00 27.40 ? 593 PRO A N 1 ATOM 1904 C CA . PRO A 1 252 ? 13.129 10.405 14.908 1.00 27.70 ? 593 PRO A CA 1 ATOM 1905 C C . PRO A 1 252 ? 14.365 9.502 14.832 1.00 29.42 ? 593 PRO A C 1 ATOM 1906 O O . PRO A 1 252 ? 14.367 8.383 15.359 1.00 28.89 ? 593 PRO A O 1 ATOM 1907 C CB . PRO A 1 252 ? 12.911 10.993 16.299 1.00 26.12 ? 593 PRO A CB 1 ATOM 1908 C CG . PRO A 1 252 ? 12.177 9.906 17.002 1.00 27.88 ? 593 PRO A CG 1 ATOM 1909 C CD . PRO A 1 252 ? 11.186 9.412 15.968 1.00 28.33 ? 593 PRO A CD 1 ATOM 1910 N N . ASN A 1 253 ? 15.404 9.986 14.156 1.00 28.98 ? 594 ASN A N 1 ATOM 1911 C CA . ASN A 1 253 ? 16.653 9.242 13.987 1.00 28.55 ? 594 ASN A CA 1 ATOM 1912 C C . ASN A 1 253 ? 17.262 8.675 15.266 1.00 29.24 ? 594 ASN A C 1 ATOM 1913 O O . ASN A 1 253 ? 17.076 9.216 16.366 1.00 29.57 ? 594 ASN A O 1 ATOM 1914 C CB . ASN A 1 253 ? 17.695 10.140 13.334 1.00 28.72 ? 594 ASN A CB 1 ATOM 1915 C CG . ASN A 1 253 ? 17.421 10.371 11.877 1.00 31.16 ? 594 ASN A CG 1 ATOM 1916 O OD1 . ASN A 1 253 ? 16.306 10.190 11.416 1.00 34.82 ? 594 ASN A OD1 1 ATOM 1917 N ND2 . ASN A 1 253 ? 18.439 10.780 11.139 1.00 33.65 ? 594 ASN A ND2 1 ATOM 1918 N N . HIS A 1 254 ? 17.991 7.575 15.116 1.00 26.90 ? 595 HIS A N 1 ATOM 1919 C CA . HIS A 1 254 ? 18.668 6.982 16.251 1.00 25.05 ? 595 HIS A CA 1 ATOM 1920 C C . HIS A 1 254 ? 19.727 7.969 16.698 1.00 24.57 ? 595 HIS A C 1 ATOM 1921 O O . HIS A 1 254 ? 20.384 8.613 15.875 1.00 23.49 ? 595 HIS A O 1 ATOM 1922 C CB . HIS A 1 254 ? 19.307 5.657 15.866 1.00 23.31 ? 595 HIS A CB 1 ATOM 1923 C CG . HIS A 1 254 ? 18.307 4.574 15.660 1.00 23.38 ? 595 HIS A CG 1 ATOM 1924 N ND1 . HIS A 1 254 ? 18.655 3.269 15.397 1.00 22.91 ? 595 HIS A ND1 1 ATOM 1925 C CD2 . HIS A 1 254 ? 16.953 4.606 15.693 1.00 25.50 ? 595 HIS A CD2 1 ATOM 1926 C CE1 . HIS A 1 254 ? 17.557 2.543 15.277 1.00 23.35 ? 595 HIS A CE1 1 ATOM 1927 N NE2 . HIS A 1 254 ? 16.511 3.330 15.452 1.00 23.44 ? 595 HIS A NE2 1 ATOM 1928 N N . ALA A 1 255 ? 19.890 8.090 18.006 1.00 23.77 ? 596 ALA A N 1 ATOM 1929 C CA . ALA A 1 255 ? 20.849 9.034 18.531 1.00 24.03 ? 596 ALA A CA 1 ATOM 1930 C C . ALA A 1 255 ? 21.764 8.474 19.606 1.00 24.04 ? 596 ALA A C 1 ATOM 1931 O O . ALA A 1 255 ? 21.424 7.507 20.291 1.00 20.86 ? 596 ALA A O 1 ATOM 1932 C CB . ALA A 1 255 ? 20.103 10.254 19.069 1.00 23.55 ? 596 ALA A CB 1 ATOM 1933 N N . VAL A 1 256 ? 22.931 9.102 19.735 1.00 23.10 ? 597 VAL A N 1 ATOM 1934 C CA . VAL A 1 256 ? 23.908 8.738 20.749 1.00 22.78 ? 597 VAL A CA 1 ATOM 1935 C C . VAL A 1 256 ? 23.510 9.444 22.050 1.00 23.50 ? 597 VAL A C 1 ATOM 1936 O O . VAL A 1 256 ? 23.181 10.627 22.043 1.00 21.02 ? 597 VAL A O 1 ATOM 1937 C CB . VAL A 1 256 ? 25.307 9.207 20.351 1.00 20.94 ? 597 VAL A CB 1 ATOM 1938 C CG1 . VAL A 1 256 ? 26.272 8.964 21.494 1.00 21.58 ? 597 VAL A CG1 1 ATOM 1939 C CG2 . VAL A 1 256 ? 25.757 8.470 19.110 1.00 19.97 ? 597 VAL A CG2 1 ATOM 1940 N N . VAL A 1 257 ? 23.513 8.711 23.158 1.00 24.96 ? 598 VAL A N 1 ATOM 1941 C CA . VAL A 1 257 ? 23.159 9.297 24.448 1.00 27.45 ? 598 VAL A CA 1 ATOM 1942 C C . VAL A 1 257 ? 24.272 9.109 25.470 1.00 29.02 ? 598 VAL A C 1 ATOM 1943 O O . VAL A 1 257 ? 25.163 8.279 25.290 1.00 30.00 ? 598 VAL A O 1 ATOM 1944 C CB . VAL A 1 257 ? 21.893 8.664 25.050 1.00 28.29 ? 598 VAL A CB 1 ATOM 1945 C CG1 . VAL A 1 257 ? 20.686 8.993 24.201 1.00 26.86 ? 598 VAL A CG1 1 ATOM 1946 C CG2 . VAL A 1 257 ? 22.085 7.161 25.185 1.00 27.88 ? 598 VAL A CG2 1 ATOM 1947 N N . SER A 1 258 ? 24.200 9.890 26.545 1.00 29.64 ? 599 SER A N 1 ATOM 1948 C CA . SER A 1 258 ? 25.171 9.827 27.631 1.00 30.17 ? 599 SER A CA 1 ATOM 1949 C C . SER A 1 258 ? 24.574 10.558 28.828 1.00 30.99 ? 599 SER A C 1 ATOM 1950 O O . SER A 1 258 ? 23.487 11.124 28.724 1.00 33.42 ? 599 SER A O 1 ATOM 1951 C CB . SER A 1 258 ? 26.478 10.502 27.217 1.00 30.01 ? 599 SER A CB 1 ATOM 1952 O OG . SER A 1 258 ? 26.402 11.910 27.356 1.00 29.83 ? 599 SER A OG 1 ATOM 1953 N N . ARG A 1 259 ? 25.250 10.520 29.974 1.00 31.85 ? 600 ARG A N 1 ATOM 1954 C CA . ARG A 1 259 ? 24.750 11.246 31.134 1.00 31.08 ? 600 ARG A CA 1 ATOM 1955 C C . ARG A 1 259 ? 25.034 12.710 30.828 1.00 31.88 ? 600 ARG A C 1 ATOM 1956 O O . ARG A 1 259 ? 26.025 13.031 30.173 1.00 30.19 ? 600 ARG A O 1 ATOM 1957 C CB . ARG A 1 259 ? 25.475 10.838 32.417 1.00 31.51 ? 600 ARG A CB 1 ATOM 1958 C CG . ARG A 1 259 ? 24.953 9.565 33.049 1.00 33.04 ? 600 ARG A CG 1 ATOM 1959 C CD . ARG A 1 259 ? 25.116 9.571 34.568 1.00 32.59 ? 600 ARG A CD 1 ATOM 1960 N NE . ARG A 1 259 ? 26.321 10.276 35.006 1.00 34.70 ? 600 ARG A NE 1 ATOM 1961 C CZ . ARG A 1 259 ? 27.098 9.876 36.006 1.00 32.62 ? 600 ARG A CZ 1 ATOM 1962 N NH1 . ARG A 1 259 ? 26.811 8.767 36.669 1.00 30.31 ? 600 ARG A NH1 1 ATOM 1963 N NH2 . ARG A 1 259 ? 28.145 10.600 36.362 1.00 32.39 ? 600 ARG A NH2 1 ATOM 1964 N N . SER A 1 260 ? 24.165 13.596 31.292 1.00 34.12 ? 601 SER A N 1 ATOM 1965 C CA . SER A 1 260 ? 24.343 15.012 31.026 1.00 36.73 ? 601 SER A CA 1 ATOM 1966 C C . SER A 1 260 ? 25.730 15.548 31.369 1.00 37.95 ? 601 SER A C 1 ATOM 1967 O O . SER A 1 260 ? 26.281 16.356 30.624 1.00 39.39 ? 601 SER A O 1 ATOM 1968 C CB . SER A 1 260 ? 23.290 15.822 31.768 1.00 37.54 ? 601 SER A CB 1 ATOM 1969 O OG . SER A 1 260 ? 23.512 17.205 31.560 1.00 43.23 ? 601 SER A OG 1 ATOM 1970 N N . ASP A 1 261 ? 26.304 15.107 32.484 1.00 38.40 ? 602 ASP A N 1 ATOM 1971 C CA . ASP A 1 261 ? 27.624 15.591 32.882 1.00 39.12 ? 602 ASP A CA 1 ATOM 1972 C C . ASP A 1 261 ? 28.780 15.053 32.041 1.00 39.50 ? 602 ASP A C 1 ATOM 1973 O O . ASP A 1 261 ? 29.916 15.468 32.212 1.00 41.06 ? 602 ASP A O 1 ATOM 1974 C CB . ASP A 1 261 ? 27.874 15.301 34.376 1.00 39.02 ? 602 ASP A CB 1 ATOM 1975 C CG . ASP A 1 261 ? 27.560 13.861 34.768 1.00 41.01 ? 602 ASP A CG 1 ATOM 1976 O OD1 . ASP A 1 261 ? 26.444 13.389 34.472 1.00 41.72 ? 602 ASP A OD1 1 ATOM 1977 O OD2 . ASP A 1 261 ? 28.423 13.202 35.387 1.00 41.42 ? 602 ASP A OD2 1 ATOM 1978 N N . ARG A 1 262 ? 28.487 14.153 31.112 1.00 39.99 ? 603 ARG A N 1 ATOM 1979 C CA . ARG A 1 262 ? 29.525 13.559 30.270 1.00 40.14 ? 603 ARG A CA 1 ATOM 1980 C C . ARG A 1 262 ? 29.292 13.825 28.789 1.00 37.75 ? 603 ARG A C 1 ATOM 1981 O O . ARG A 1 262 ? 30.092 13.427 27.945 1.00 36.08 ? 603 ARG A O 1 ATOM 1982 C CB . ARG A 1 262 ? 29.573 12.040 30.505 1.00 43.84 ? 603 ARG A CB 1 ATOM 1983 C CG . ARG A 1 262 ? 30.018 11.623 31.908 1.00 48.34 ? 603 ARG A CG 1 ATOM 1984 C CD . ARG A 1 262 ? 31.493 11.939 32.124 1.00 52.99 ? 603 ARG A CD 1 ATOM 1985 N NE . ARG A 1 262 ? 32.338 11.178 31.206 1.00 56.16 ? 603 ARG A NE 1 ATOM 1986 C CZ . ARG A 1 262 ? 33.562 11.541 30.828 1.00 58.42 ? 603 ARG A CZ 1 ATOM 1987 N NH1 . ARG A 1 262 ? 34.101 12.668 31.290 1.00 57.94 ? 603 ARG A NH1 1 ATOM 1988 N NH2 . ARG A 1 262 ? 34.241 10.782 29.971 1.00 57.46 ? 603 ARG A NH2 1 ATOM 1989 N N . ALA A 1 263 ? 28.196 14.510 28.488 1.00 35.63 ? 604 ALA A N 1 ATOM 1990 C CA . ALA A 1 263 ? 27.803 14.810 27.116 1.00 33.25 ? 604 ALA A CA 1 ATOM 1991 C C . ALA A 1 263 ? 28.773 15.636 26.282 1.00 32.62 ? 604 ALA A C 1 ATOM 1992 O O . ALA A 1 263 ? 28.956 15.371 25.093 1.00 33.82 ? 604 ALA A O 1 ATOM 1993 C CB . ALA A 1 263 ? 26.452 15.476 27.127 1.00 31.09 ? 604 ALA A CB 1 ATOM 1994 N N . ALA A 1 264 ? 29.381 16.646 26.887 1.00 30.66 ? 605 ALA A N 1 ATOM 1995 C CA . ALA A 1 264 ? 30.306 17.494 26.155 1.00 30.36 ? 605 ALA A CA 1 ATOM 1996 C C . ALA A 1 264 ? 31.550 16.728 25.737 1.00 32.57 ? 605 ALA A C 1 ATOM 1997 O O . ALA A 1 264 ? 32.028 16.860 24.609 1.00 32.63 ? 605 ALA A O 1 ATOM 1998 C CB . ALA A 1 264 ? 30.695 18.679 27.005 1.00 28.39 ? 605 ALA A CB 1 ATOM 1999 N N . HIS A 1 265 ? 32.075 15.931 26.656 1.00 34.56 ? 606 HIS A N 1 ATOM 2000 C CA . HIS A 1 265 ? 33.274 15.168 26.392 1.00 37.37 ? 606 HIS A CA 1 ATOM 2001 C C . HIS A 1 265 ? 32.995 14.079 25.371 1.00 36.51 ? 606 HIS A C 1 ATOM 2002 O O . HIS A 1 265 ? 33.798 13.847 24.468 1.00 38.38 ? 606 HIS A O 1 ATOM 2003 C CB . HIS A 1 265 ? 33.807 14.575 27.702 1.00 43.42 ? 606 HIS A CB 1 ATOM 2004 C CG . HIS A 1 265 ? 35.155 13.937 27.570 1.00 52.75 ? 606 HIS A CG 1 ATOM 2005 N ND1 . HIS A 1 265 ? 35.338 12.571 27.621 1.00 55.62 ? 606 HIS A ND1 1 ATOM 2006 C CD2 . HIS A 1 265 ? 36.380 14.474 27.344 1.00 56.27 ? 606 HIS A CD2 1 ATOM 2007 C CE1 . HIS A 1 265 ? 36.617 12.295 27.427 1.00 58.62 ? 606 HIS A CE1 1 ATOM 2008 N NE2 . HIS A 1 265 ? 37.272 13.431 27.257 1.00 58.67 ? 606 HIS A NE2 1 ATOM 2009 N N . VAL A 1 266 ? 31.850 13.418 25.498 1.00 34.92 ? 607 VAL A N 1 ATOM 2010 C CA . VAL A 1 266 ? 31.491 12.353 24.565 1.00 34.21 ? 607 VAL A CA 1 ATOM 2011 C C . VAL A 1 266 ? 31.314 12.920 23.159 1.00 34.39 ? 607 VAL A C 1 ATOM 2012 O O . VAL A 1 266 ? 31.659 12.287 22.163 1.00 34.86 ? 607 VAL A O 1 ATOM 2013 C CB . VAL A 1 266 ? 30.181 11.648 24.995 1.00 33.42 ? 607 VAL A CB 1 ATOM 2014 C CG1 . VAL A 1 266 ? 29.721 10.700 23.911 1.00 30.92 ? 607 VAL A CG1 1 ATOM 2015 C CG2 . VAL A 1 266 ? 30.398 10.886 26.294 1.00 30.25 ? 607 VAL A CG2 1 ATOM 2016 N N . GLU A 1 267 ? 30.781 14.128 23.096 1.00 34.42 ? 608 GLU A N 1 ATOM 2017 C CA . GLU A 1 267 ? 30.544 14.797 21.834 1.00 35.56 ? 608 GLU A CA 1 ATOM 2018 C C . GLU A 1 267 ? 31.851 15.132 21.133 1.00 35.98 ? 608 GLU A C 1 ATOM 2019 O O . GLU A 1 267 ? 32.001 14.933 19.930 1.00 34.87 ? 608 GLU A O 1 ATOM 2020 C CB . GLU A 1 267 ? 29.765 16.064 22.101 1.00 36.21 ? 608 GLU A CB 1 ATOM 2021 C CG . GLU A 1 267 ? 29.378 16.810 20.872 1.00 42.01 ? 608 GLU A CG 1 ATOM 2022 C CD . GLU A 1 267 ? 28.371 17.880 21.193 1.00 48.29 ? 608 GLU A CD 1 ATOM 2023 O OE1 . GLU A 1 267 ? 27.671 17.729 22.222 1.00 52.45 ? 608 GLU A OE1 1 ATOM 2024 O OE2 . GLU A 1 267 ? 28.263 18.859 20.423 1.00 50.69 ? 608 GLU A OE2 1 ATOM 2025 N N . GLN A 1 268 ? 32.787 15.659 21.907 1.00 37.24 ? 609 GLN A N 1 ATOM 2026 C CA . GLN A 1 268 ? 34.097 16.037 21.416 1.00 39.42 ? 609 GLN A CA 1 ATOM 2027 C C . GLN A 1 268 ? 34.767 14.833 20.747 1.00 39.17 ? 609 GLN A C 1 ATOM 2028 O O . GLN A 1 268 ? 35.116 14.867 19.565 1.00 37.69 ? 609 GLN A O 1 ATOM 2029 C CB . GLN A 1 268 ? 34.919 16.532 22.610 1.00 44.16 ? 609 GLN A CB 1 ATOM 2030 C CG . GLN A 1 268 ? 36.384 16.836 22.360 1.00 51.15 ? 609 GLN A CG 1 ATOM 2031 C CD . GLN A 1 268 ? 37.127 17.143 23.658 1.00 56.04 ? 609 GLN A CD 1 ATOM 2032 O OE1 . GLN A 1 268 ? 36.907 18.187 24.287 1.00 57.89 ? 609 GLN A OE1 1 ATOM 2033 N NE2 . GLN A 1 268 ? 38.002 16.224 24.072 1.00 58.29 ? 609 GLN A NE2 1 ATOM 2034 N N . VAL A 1 269 ? 34.932 13.760 21.511 1.00 38.46 ? 610 VAL A N 1 ATOM 2035 C CA . VAL A 1 269 ? 35.567 12.551 21.008 1.00 37.20 ? 610 VAL A CA 1 ATOM 2036 C C . VAL A 1 269 ? 34.961 12.026 19.706 1.00 37.42 ? 610 VAL A C 1 ATOM 2037 O O . VAL A 1 269 ? 35.681 11.811 18.726 1.00 36.96 ? 610 VAL A O 1 ATOM 2038 C CB . VAL A 1 269 ? 35.505 11.431 22.063 1.00 37.03 ? 610 VAL A CB 1 ATOM 2039 C CG1 . VAL A 1 269 ? 36.104 10.158 21.505 1.00 36.89 ? 610 VAL A CG1 1 ATOM 2040 C CG2 . VAL A 1 269 ? 36.246 11.858 23.314 1.00 35.77 ? 610 VAL A CG2 1 ATOM 2041 N N . LEU A 1 270 ? 33.643 11.832 19.694 1.00 36.61 ? 611 LEU A N 1 ATOM 2042 C CA . LEU A 1 270 ? 32.959 11.292 18.523 1.00 35.63 ? 611 LEU A CA 1 ATOM 2043 C C . LEU A 1 270 ? 33.099 12.069 17.220 1.00 35.96 ? 611 LEU A C 1 ATOM 2044 O O . LEU A 1 270 ? 33.150 11.465 16.154 1.00 35.94 ? 611 LEU A O 1 ATOM 2045 C CB . LEU A 1 270 ? 31.482 11.067 18.838 1.00 35.18 ? 611 LEU A CB 1 ATOM 2046 C CG . LEU A 1 270 ? 31.203 9.874 19.760 1.00 35.60 ? 611 LEU A CG 1 ATOM 2047 C CD1 . LEU A 1 270 ? 29.711 9.774 19.987 1.00 36.80 ? 611 LEU A CD1 1 ATOM 2048 C CD2 . LEU A 1 270 ? 31.736 8.581 19.156 1.00 33.87 ? 611 LEU A CD2 1 ATOM 2049 N N . LEU A 1 271 ? 33.156 13.396 17.291 1.00 37.07 ? 612 LEU A N 1 ATOM 2050 C CA . LEU A 1 271 ? 33.315 14.205 16.081 1.00 36.94 ? 612 LEU A CA 1 ATOM 2051 C C . LEU A 1 271 ? 34.694 13.923 15.477 1.00 38.73 ? 612 LEU A C 1 ATOM 2052 O O . LEU A 1 271 ? 34.851 13.860 14.253 1.00 39.97 ? 612 LEU A O 1 ATOM 2053 C CB . LEU A 1 271 ? 33.209 15.697 16.407 1.00 35.96 ? 612 LEU A CB 1 ATOM 2054 C CG . LEU A 1 271 ? 31.949 16.278 17.056 1.00 34.72 ? 612 LEU A CG 1 ATOM 2055 C CD1 . LEU A 1 271 ? 32.182 17.737 17.425 1.00 31.30 ? 612 LEU A CD1 1 ATOM 2056 C CD2 . LEU A 1 271 ? 30.780 16.150 16.108 1.00 34.03 ? 612 LEU A CD2 1 ATOM 2057 N N . HIS A 1 272 ? 35.688 13.761 16.348 1.00 39.96 ? 613 HIS A N 1 ATOM 2058 C CA . HIS A 1 272 ? 37.056 13.471 15.931 1.00 41.87 ? 613 HIS A CA 1 ATOM 2059 C C . HIS A 1 272 ? 37.157 12.006 15.527 1.00 40.76 ? 613 HIS A C 1 ATOM 2060 O O . HIS A 1 272 ? 37.981 11.640 14.695 1.00 41.50 ? 613 HIS A O 1 ATOM 2061 C CB . HIS A 1 272 ? 38.031 13.786 17.078 1.00 45.46 ? 613 HIS A CB 1 ATOM 2062 C CG . HIS A 1 272 ? 39.427 13.284 16.858 1.00 49.88 ? 613 HIS A CG 1 ATOM 2063 N ND1 . HIS A 1 272 ? 40.157 13.568 15.722 1.00 52.43 ? 613 HIS A ND1 1 ATOM 2064 C CD2 . HIS A 1 272 ? 40.236 12.533 17.645 1.00 52.42 ? 613 HIS A CD2 1 ATOM 2065 C CE1 . HIS A 1 272 ? 41.353 13.013 15.818 1.00 53.34 ? 613 HIS A CE1 1 ATOM 2066 N NE2 . HIS A 1 272 ? 41.427 12.380 16.976 1.00 54.44 ? 613 HIS A NE2 1 ATOM 2067 N N . GLN A 1 273 ? 36.312 11.165 16.110 1.00 40.05 ? 614 GLN A N 1 ATOM 2068 C CA . GLN A 1 273 ? 36.327 9.749 15.766 1.00 40.03 ? 614 GLN A CA 1 ATOM 2069 C C . GLN A 1 273 ? 35.786 9.506 14.360 1.00 39.94 ? 614 GLN A C 1 ATOM 2070 O O . GLN A 1 273 ? 36.311 8.675 13.619 1.00 37.78 ? 614 GLN A O 1 ATOM 2071 C CB . GLN A 1 273 ? 35.521 8.940 16.785 1.00 39.95 ? 614 GLN A CB 1 ATOM 2072 C CG . GLN A 1 273 ? 36.307 8.625 18.041 1.00 40.14 ? 614 GLN A CG 1 ATOM 2073 C CD . GLN A 1 273 ? 37.635 7.947 17.731 1.00 39.74 ? 614 GLN A CD 1 ATOM 2074 O OE1 . GLN A 1 273 ? 37.672 6.824 17.230 1.00 39.71 ? 614 GLN A OE1 1 ATOM 2075 N NE2 . GLN A 1 273 ? 38.730 8.634 18.022 1.00 40.30 ? 614 GLN A NE2 1 ATOM 2076 N N . GLN A 1 274 ? 34.740 10.239 13.989 1.00 40.81 ? 615 GLN A N 1 ATOM 2077 C CA . GLN A 1 274 ? 34.163 10.080 12.665 1.00 42.24 ? 615 GLN A CA 1 ATOM 2078 C C . GLN A 1 274 ? 35.007 10.821 11.631 1.00 43.33 ? 615 GLN A C 1 ATOM 2079 O O . GLN A 1 274 ? 34.907 10.568 10.429 1.00 44.95 ? 615 GLN A O 1 ATOM 2080 C CB . GLN A 1 274 ? 32.711 10.566 12.646 1.00 40.45 ? 615 GLN A CB 1 ATOM 2081 C CG . GLN A 1 274 ? 32.499 12.041 12.470 1.00 39.82 ? 615 GLN A CG 1 ATOM 2082 C CD . GLN A 1 274 ? 31.022 12.366 12.387 1.00 41.62 ? 615 GLN A CD 1 ATOM 2083 O OE1 . GLN A 1 274 ? 30.203 11.492 12.111 1.00 42.30 ? 615 GLN A OE1 1 ATOM 2084 N NE2 . GLN A 1 274 ? 30.674 13.625 12.610 1.00 43.74 ? 615 GLN A NE2 1 ATOM 2085 N N . ALA A 1 275 ? 35.848 11.731 12.101 1.00 42.20 ? 616 ALA A N 1 ATOM 2086 C CA . ALA A 1 275 ? 36.724 12.446 11.197 1.00 41.11 ? 616 ALA A CA 1 ATOM 2087 C C . ALA A 1 275 ? 37.733 11.420 10.681 1.00 41.09 ? 616 ALA A C 1 ATOM 2088 O O . ALA A 1 275 ? 38.258 11.548 9.577 1.00 41.56 ? 616 ALA A O 1 ATOM 2089 C CB . ALA A 1 275 ? 37.432 13.555 11.936 1.00 40.53 ? 616 ALA A CB 1 ATOM 2090 N N . LEU A 1 276 ? 37.976 10.388 11.487 1.00 40.86 ? 617 LEU A N 1 ATOM 2091 C CA . LEU A 1 276 ? 38.924 9.334 11.145 1.00 41.22 ? 617 LEU A CA 1 ATOM 2092 C C . LEU A 1 276 ? 38.302 8.106 10.499 1.00 42.33 ? 617 LEU A C 1 ATOM 2093 O O . LEU A 1 276 ? 38.875 7.535 9.569 1.00 43.34 ? 617 LEU A O 1 ATOM 2094 C CB . LEU A 1 276 ? 39.653 8.825 12.388 1.00 41.73 ? 617 LEU A CB 1 ATOM 2095 C CG . LEU A 1 276 ? 40.288 9.716 13.448 1.00 42.42 ? 617 LEU A CG 1 ATOM 2096 C CD1 . LEU A 1 276 ? 41.089 8.831 14.403 1.00 38.80 ? 617 LEU A CD1 1 ATOM 2097 C CD2 . LEU A 1 276 ? 41.180 10.746 12.793 1.00 41.30 ? 617 LEU A CD2 1 ATOM 2098 N N . PHE A 1 277 ? 37.147 7.684 11.011 1.00 42.50 ? 618 PHE A N 1 ATOM 2099 C CA . PHE A 1 277 ? 36.492 6.470 10.522 1.00 41.15 ? 618 PHE A CA 1 ATOM 2100 C C . PHE A 1 277 ? 35.098 6.662 9.931 1.00 41.52 ? 618 PHE A C 1 ATOM 2101 O O . PHE A 1 277 ? 34.364 5.688 9.750 1.00 40.17 ? 618 PHE A O 1 ATOM 2102 C CB . PHE A 1 277 ? 36.423 5.454 11.667 1.00 40.62 ? 618 PHE A CB 1 ATOM 2103 C CG . PHE A 1 277 ? 37.696 5.356 12.474 1.00 38.90 ? 618 PHE A CG 1 ATOM 2104 C CD1 . PHE A 1 277 ? 38.824 4.724 11.955 1.00 38.59 ? 618 PHE A CD1 1 ATOM 2105 C CD2 . PHE A 1 277 ? 37.766 5.907 13.750 1.00 38.19 ? 618 PHE A CD2 1 ATOM 2106 C CE1 . PHE A 1 277 ? 40.005 4.640 12.699 1.00 38.13 ? 618 PHE A CE1 1 ATOM 2107 C CE2 . PHE A 1 277 ? 38.942 5.828 14.501 1.00 38.85 ? 618 PHE A CE2 1 ATOM 2108 C CZ . PHE A 1 277 ? 40.063 5.194 13.973 1.00 38.23 ? 618 PHE A CZ 1 ATOM 2109 N N . GLY A 1 278 ? 34.742 7.910 9.634 1.00 42.54 ? 619 GLY A N 1 ATOM 2110 C CA . GLY A 1 278 ? 33.437 8.207 9.065 1.00 44.22 ? 619 GLY A CA 1 ATOM 2111 C C . GLY A 1 278 ? 33.352 7.895 7.582 1.00 46.53 ? 619 GLY A C 1 ATOM 2112 O O . GLY A 1 278 ? 34.258 7.264 7.032 1.00 44.51 ? 619 GLY A O 1 ATOM 2113 N N . LYS A 1 279 ? 32.269 8.338 6.939 1.00 49.74 ? 620 LYS A N 1 ATOM 2114 C CA . LYS A 1 279 ? 32.040 8.100 5.512 1.00 53.57 ? 620 LYS A CA 1 ATOM 2115 C C . LYS A 1 279 ? 33.264 8.387 4.649 1.00 55.61 ? 620 LYS A C 1 ATOM 2116 O O . LYS A 1 279 ? 33.640 7.570 3.808 1.00 56.56 ? 620 LYS A O 1 ATOM 2117 C CB . LYS A 1 279 ? 30.851 8.932 5.022 1.00 55.34 ? 620 LYS A CB 1 ATOM 2118 C CG . LYS A 1 279 ? 30.881 9.284 3.536 1.00 58.64 ? 620 LYS A CG 1 ATOM 2119 C CD . LYS A 1 279 ? 29.891 8.484 2.693 1.00 61.64 ? 620 LYS A CD 1 ATOM 2120 C CE . LYS A 1 279 ? 30.037 8.850 1.212 1.00 62.63 ? 620 LYS A CE 1 ATOM 2121 N NZ . LYS A 1 279 ? 29.493 7.808 0.298 1.00 62.58 ? 620 LYS A NZ 1 ATOM 2122 N N . ASN A 1 280 ? 33.886 9.543 4.842 1.00 57.08 ? 621 ASN A N 1 ATOM 2123 C CA . ASN A 1 280 ? 35.075 9.871 4.061 1.00 58.54 ? 621 ASN A CA 1 ATOM 2124 C C . ASN A 1 280 ? 36.267 10.101 4.990 1.00 57.74 ? 621 ASN A C 1 ATOM 2125 O O . ASN A 1 280 ? 37.163 10.894 4.698 1.00 57.42 ? 621 ASN A O 1 ATOM 2126 C CB . ASN A 1 280 ? 34.823 11.109 3.188 1.00 61.47 ? 621 ASN A CB 1 ATOM 2127 C CG . ASN A 1 280 ? 33.668 10.913 2.207 1.00 63.49 ? 621 ASN A CG 1 ATOM 2128 O OD1 . ASN A 1 280 ? 32.547 11.364 2.449 1.00 64.80 ? 621 ASN A OD1 1 ATOM 2129 N ND2 . ASN A 1 280 ? 33.939 10.231 1.101 1.00 65.09 ? 621 ASN A ND2 1 ATOM 2130 N N . GLY A 1 281 ? 36.271 9.381 6.106 1.00 56.47 ? 622 GLY A N 1 ATOM 2131 C CA . GLY A 1 281 ? 37.338 9.512 7.073 1.00 54.87 ? 622 GLY A CA 1 ATOM 2132 C C . GLY A 1 281 ? 38.693 9.075 6.560 1.00 55.19 ? 622 GLY A C 1 ATOM 2133 O O . GLY A 1 281 ? 38.802 8.326 5.590 1.00 54.98 ? 622 GLY A O 1 ATOM 2134 N N . LYS A 1 282 ? 39.725 9.556 7.244 1.00 54.97 ? 623 LYS A N 1 ATOM 2135 C CA . LYS A 1 282 ? 41.120 9.271 6.934 1.00 53.94 ? 623 LYS A CA 1 ATOM 2136 C C . LYS A 1 282 ? 41.470 7.803 6.886 1.00 52.45 ? 623 LYS A C 1 ATOM 2137 O O . LYS A 1 282 ? 42.252 7.375 6.040 1.00 52.57 ? 623 LYS A O 1 ATOM 2138 C CB . LYS A 1 282 ? 42.026 9.894 7.986 1.00 55.41 ? 623 LYS A CB 1 ATOM 2139 C CG . LYS A 1 282 ? 42.483 11.300 7.726 1.00 58.34 ? 623 LYS A CG 1 ATOM 2140 C CD . LYS A 1 282 ? 43.333 11.755 8.902 1.00 61.43 ? 623 LYS A CD 1 ATOM 2141 C CE . LYS A 1 282 ? 44.165 12.980 8.576 1.00 63.87 ? 623 LYS A CE 1 ATOM 2142 N NZ . LYS A 1 282 ? 45.531 12.607 8.102 1.00 64.70 ? 623 LYS A NZ 1 ATOM 2143 N N . ASN A 1 283 ? 40.912 7.038 7.815 1.00 51.34 ? 624 ASN A N 1 ATOM 2144 C CA . ASN A 1 283 ? 41.240 5.627 7.896 1.00 51.52 ? 624 ASN A CA 1 ATOM 2145 C C . ASN A 1 283 ? 40.166 4.656 7.456 1.00 52.17 ? 624 ASN A C 1 ATOM 2146 O O . ASN A 1 283 ? 40.192 3.480 7.824 1.00 53.14 ? 624 ASN A O 1 ATOM 2147 C CB . ASN A 1 283 ? 41.693 5.300 9.313 1.00 51.45 ? 624 ASN A CB 1 ATOM 2148 C CG . ASN A 1 283 ? 42.800 6.220 9.785 1.00 51.47 ? 624 ASN A CG 1 ATOM 2149 O OD1 . ASN A 1 283 ? 43.744 6.497 9.044 1.00 50.55 ? 624 ASN A OD1 1 ATOM 2150 N ND2 . ASN A 1 283 ? 42.692 6.699 11.020 1.00 50.66 ? 624 ASN A ND2 1 ATOM 2151 N N . CYS A 1 284 ? 39.229 5.149 6.658 1.00 51.28 ? 625 CYS A N 1 ATOM 2152 C CA . CYS A 1 284 ? 38.168 4.315 6.133 1.00 51.75 ? 625 CYS A CA 1 ATOM 2153 C C . CYS A 1 284 ? 38.149 4.523 4.626 1.00 54.00 ? 625 CYS A C 1 ATOM 2154 O O . CYS A 1 284 ? 38.232 5.655 4.159 1.00 54.69 ? 625 CYS A O 1 ATOM 2155 C CB . CYS A 1 284 ? 36.818 4.732 6.734 1.00 48.63 ? 625 CYS A CB 1 ATOM 2156 S SG . CYS A 1 284 ? 35.386 4.055 5.841 1.00 45.36 ? 625 CYS A SG 1 ATOM 2157 N N . PRO A 1 285 ? 38.075 3.432 3.838 1.00 55.91 ? 626 PRO A N 1 ATOM 2158 C CA . PRO A 1 285 ? 37.952 2.011 4.200 1.00 57.52 ? 626 PRO A CA 1 ATOM 2159 C C . PRO A 1 285 ? 39.306 1.361 4.482 1.00 59.32 ? 626 PRO A C 1 ATOM 2160 O O . PRO A 1 285 ? 39.391 0.167 4.790 1.00 59.71 ? 626 PRO A O 1 ATOM 2161 C CB . PRO A 1 285 ? 37.295 1.383 2.970 1.00 56.69 ? 626 PRO A CB 1 ATOM 2162 C CG . PRO A 1 285 ? 36.711 2.560 2.218 1.00 56.55 ? 626 PRO A CG 1 ATOM 2163 C CD . PRO A 1 285 ? 37.754 3.608 2.414 1.00 55.20 ? 626 PRO A CD 1 ATOM 2164 N N . ASP A 1 286 ? 40.353 2.164 4.364 1.00 60.55 ? 627 ASP A N 1 ATOM 2165 C CA . ASP A 1 286 ? 41.720 1.715 4.570 1.00 61.00 ? 627 ASP A CA 1 ATOM 2166 C C . ASP A 1 286 ? 41.906 0.810 5.785 1.00 59.68 ? 627 ASP A C 1 ATOM 2167 O O . ASP A 1 286 ? 42.398 -0.310 5.659 1.00 59.47 ? 627 ASP A O 1 ATOM 2168 C CB . ASP A 1 286 ? 42.635 2.936 4.685 1.00 63.65 ? 627 ASP A CB 1 ATOM 2169 C CG . ASP A 1 286 ? 42.302 4.012 3.654 1.00 66.12 ? 627 ASP A CG 1 ATOM 2170 O OD1 . ASP A 1 286 ? 42.374 3.718 2.438 1.00 67.01 ? 627 ASP A OD1 1 ATOM 2171 O OD2 . ASP A 1 286 ? 41.965 5.149 4.060 1.00 64.90 ? 627 ASP A OD2 1 ATOM 2172 N N . LYS A 1 287 ? 41.502 1.283 6.958 1.00 58.30 ? 628 LYS A N 1 ATOM 2173 C CA . LYS A 1 287 ? 41.681 0.489 8.166 1.00 56.24 ? 628 LYS A CA 1 ATOM 2174 C C . LYS A 1 287 ? 40.416 0.058 8.903 1.00 53.84 ? 628 LYS A C 1 ATOM 2175 O O . LYS A 1 287 ? 40.234 -1.127 9.186 1.00 53.87 ? 628 LYS A O 1 ATOM 2176 C CB . LYS A 1 287 ? 42.610 1.233 9.129 1.00 57.95 ? 628 LYS A CB 1 ATOM 2177 C CG . LYS A 1 287 ? 43.967 1.551 8.524 1.00 60.83 ? 628 LYS A CG 1 ATOM 2178 C CD . LYS A 1 287 ? 44.994 1.904 9.592 1.00 64.61 ? 628 LYS A CD 1 ATOM 2179 C CE . LYS A 1 287 ? 45.395 0.676 10.413 1.00 67.10 ? 628 LYS A CE 1 ATOM 2180 N NZ . LYS A 1 287 ? 46.374 1.005 11.496 1.00 68.29 ? 628 LYS A NZ 1 ATOM 2181 N N . PHE A 1 288 ? 39.546 1.009 9.220 1.00 50.38 ? 629 PHE A N 1 ATOM 2182 C CA . PHE A 1 288 ? 38.321 0.689 9.945 1.00 46.36 ? 629 PHE A CA 1 ATOM 2183 C C . PHE A 1 288 ? 37.223 1.689 9.608 1.00 44.18 ? 629 PHE A C 1 ATOM 2184 O O . PHE A 1 288 ? 37.459 2.893 9.581 1.00 42.94 ? 629 PHE A O 1 ATOM 2185 C CB . PHE A 1 288 ? 38.604 0.705 11.459 1.00 44.33 ? 629 PHE A CB 1 ATOM 2186 C CG . PHE A 1 288 ? 37.380 0.515 12.323 1.00 42.86 ? 629 PHE A CG 1 ATOM 2187 C CD1 . PHE A 1 288 ? 36.794 -0.743 12.472 1.00 41.08 ? 629 PHE A CD1 1 ATOM 2188 C CD2 . PHE A 1 288 ? 36.801 1.602 12.969 1.00 40.68 ? 629 PHE A CD2 1 ATOM 2189 C CE1 . PHE A 1 288 ? 35.657 -0.910 13.255 1.00 40.05 ? 629 PHE A CE1 1 ATOM 2190 C CE2 . PHE A 1 288 ? 35.665 1.441 13.752 1.00 40.36 ? 629 PHE A CE2 1 ATOM 2191 C CZ . PHE A 1 288 ? 35.090 0.184 13.892 1.00 40.27 ? 629 PHE A CZ 1 ATOM 2192 N N . CYS A 1 289 ? 36.027 1.191 9.325 1.00 42.40 ? 630 CYS A N 1 ATOM 2193 C CA . CYS A 1 289 ? 34.921 2.085 9.030 1.00 42.34 ? 630 CYS A CA 1 ATOM 2194 C C . CYS A 1 289 ? 33.876 1.919 10.116 1.00 41.98 ? 630 CYS A C 1 ATOM 2195 O O . CYS A 1 289 ? 33.306 0.844 10.301 1.00 41.78 ? 630 CYS A O 1 ATOM 2196 C CB . CYS A 1 289 ? 34.305 1.798 7.660 1.00 41.68 ? 630 CYS A CB 1 ATOM 2197 S SG . CYS A 1 289 ? 35.418 2.059 6.241 1.00 41.09 ? 630 CYS A SG 1 ATOM 2198 N N . LEU A 1 290 ? 33.640 3.008 10.831 1.00 41.34 ? 631 LEU A N 1 ATOM 2199 C CA . LEU A 1 290 ? 32.696 3.043 11.926 1.00 41.17 ? 631 LEU A CA 1 ATOM 2200 C C . LEU A 1 290 ? 31.247 2.737 11.538 1.00 42.49 ? 631 LEU A C 1 ATOM 2201 O O . LEU A 1 290 ? 30.477 2.229 12.359 1.00 42.48 ? 631 LEU A O 1 ATOM 2202 C CB . LEU A 1 290 ? 32.781 4.415 12.590 1.00 40.42 ? 631 LEU A CB 1 ATOM 2203 C CG . LEU A 1 290 ? 32.137 4.604 13.960 1.00 43.24 ? 631 LEU A CG 1 ATOM 2204 C CD1 . LEU A 1 290 ? 32.651 3.549 14.929 1.00 44.66 ? 631 LEU A CD1 1 ATOM 2205 C CD2 . LEU A 1 290 ? 32.456 5.999 14.467 1.00 43.22 ? 631 LEU A CD2 1 ATOM 2206 N N . PHE A 1 291 ? 30.876 3.028 10.294 1.00 43.79 ? 632 PHE A N 1 ATOM 2207 C CA . PHE A 1 291 ? 29.503 2.808 9.857 1.00 45.07 ? 632 PHE A CA 1 ATOM 2208 C C . PHE A 1 291 ? 29.288 1.630 8.912 1.00 47.41 ? 632 PHE A C 1 ATOM 2209 O O . PHE A 1 291 ? 28.338 1.609 8.132 1.00 48.03 ? 632 PHE A O 1 ATOM 2210 C CB . PHE A 1 291 ? 28.954 4.094 9.235 1.00 43.35 ? 632 PHE A CB 1 ATOM 2211 C CG . PHE A 1 291 ? 29.084 5.298 10.131 1.00 43.21 ? 632 PHE A CG 1 ATOM 2212 C CD1 . PHE A 1 291 ? 28.537 5.293 11.412 1.00 42.88 ? 632 PHE A CD1 1 ATOM 2213 C CD2 . PHE A 1 291 ? 29.759 6.435 9.701 1.00 42.38 ? 632 PHE A CD2 1 ATOM 2214 C CE1 . PHE A 1 291 ? 28.664 6.399 12.246 1.00 40.83 ? 632 PHE A CE1 1 ATOM 2215 C CE2 . PHE A 1 291 ? 29.886 7.544 10.533 1.00 42.38 ? 632 PHE A CE2 1 ATOM 2216 C CZ . PHE A 1 291 ? 29.337 7.523 11.806 1.00 40.72 ? 632 PHE A CZ 1 ATOM 2217 N N . LYS A 1 292 ? 30.173 0.649 8.983 1.00 49.54 ? 633 LYS A N 1 ATOM 2218 C CA . LYS A 1 292 ? 30.044 -0.544 8.163 1.00 51.98 ? 633 LYS A CA 1 ATOM 2219 C C . LYS A 1 292 ? 30.167 -1.740 9.087 1.00 52.78 ? 633 LYS A C 1 ATOM 2220 O O . LYS A 1 292 ? 31.132 -1.864 9.830 1.00 51.94 ? 633 LYS A O 1 ATOM 2221 C CB . LYS A 1 292 ? 31.138 -0.605 7.096 1.00 53.90 ? 633 LYS A CB 1 ATOM 2222 C CG . LYS A 1 292 ? 30.911 0.287 5.875 1.00 57.15 ? 633 LYS A CG 1 ATOM 2223 C CD . LYS A 1 292 ? 29.767 -0.210 4.994 1.00 61.07 ? 633 LYS A CD 1 ATOM 2224 C CE . LYS A 1 292 ? 28.487 0.607 5.195 1.00 63.55 ? 633 LYS A CE 1 ATOM 2225 N NZ . LYS A 1 292 ? 27.372 0.163 4.292 1.00 65.07 ? 633 LYS A NZ 1 ATOM 2226 N N . SER A 1 293 ? 29.170 -2.610 9.054 1.00 55.07 ? 634 SER A N 1 ATOM 2227 C CA . SER A 1 293 ? 29.174 -3.802 9.884 1.00 57.20 ? 634 SER A CA 1 ATOM 2228 C C . SER A 1 293 ? 28.618 -4.921 9.031 1.00 60.57 ? 634 SER A C 1 ATOM 2229 O O . SER A 1 293 ? 28.436 -6.045 9.501 1.00 61.72 ? 634 SER A O 1 ATOM 2230 C CB . SER A 1 293 ? 28.305 -3.596 11.126 1.00 55.42 ? 634 SER A CB 1 ATOM 2231 O OG . SER A 1 293 ? 26.968 -3.297 10.781 1.00 53.42 ? 634 SER A OG 1 ATOM 2232 N N . GLU A 1 294 ? 28.341 -4.585 7.772 1.00 63.93 ? 635 GLU A N 1 ATOM 2233 C CA . GLU A 1 294 ? 27.814 -5.525 6.787 1.00 66.45 ? 635 GLU A CA 1 ATOM 2234 C C . GLU A 1 294 ? 26.340 -5.891 6.906 1.00 65.85 ? 635 GLU A C 1 ATOM 2235 O O . GLU A 1 294 ? 26.013 -7.029 7.258 1.00 65.79 ? 635 GLU A O 1 ATOM 2236 C CB . GLU A 1 294 ? 28.625 -6.818 6.803 1.00 70.07 ? 635 GLU A CB 1 ATOM 2237 C CG . GLU A 1 294 ? 30.001 -6.703 6.204 1.00 74.57 ? 635 GLU A CG 1 ATOM 2238 C CD . GLU A 1 294 ? 30.629 -8.063 6.008 1.00 78.08 ? 635 GLU A CD 1 ATOM 2239 O OE1 . GLU A 1 294 ? 31.291 -8.266 4.966 1.00 79.70 ? 635 GLU A OE1 1 ATOM 2240 O OE2 . GLU A 1 294 ? 30.460 -8.927 6.900 1.00 79.65 ? 635 GLU A OE2 1 ATOM 2241 N N . THR A 1 295 ? 25.463 -4.935 6.597 1.00 64.49 ? 636 THR A N 1 ATOM 2242 C CA . THR A 1 295 ? 24.014 -5.142 6.632 1.00 62.01 ? 636 THR A CA 1 ATOM 2243 C C . THR A 1 295 ? 23.527 -5.632 8.002 1.00 58.75 ? 636 THR A C 1 ATOM 2244 O O . THR A 1 295 ? 22.390 -6.083 8.147 1.00 58.51 ? 636 THR A O 1 ATOM 2245 C CB . THR A 1 295 ? 23.593 -6.160 5.520 1.00 63.85 ? 636 THR A CB 1 ATOM 2246 O OG1 . THR A 1 295 ? 22.229 -5.937 5.148 1.00 66.27 ? 636 THR A OG1 1 ATOM 2247 C CG2 . THR A 1 295 ? 23.744 -7.606 6.007 1.00 64.29 ? 636 THR A CG2 1 ATOM 2248 N N . LYS A 1 296 ? 24.388 -5.519 9.009 1.00 54.39 ? 637 LYS A N 1 ATOM 2249 C CA . LYS A 1 296 ? 24.054 -5.983 10.349 1.00 49.19 ? 637 LYS A CA 1 ATOM 2250 C C . LYS A 1 296 ? 23.793 -4.846 11.327 1.00 45.50 ? 637 LYS A C 1 ATOM 2251 O O . LYS A 1 296 ? 23.414 -5.087 12.470 1.00 45.53 ? 637 LYS A O 1 ATOM 2252 C CB . LYS A 1 296 ? 25.183 -6.867 10.873 1.00 50.31 ? 637 LYS A CB 1 ATOM 2253 C CG . LYS A 1 296 ? 25.583 -7.989 9.925 1.00 51.93 ? 637 LYS A CG 1 ATOM 2254 C CD . LYS A 1 296 ? 26.924 -8.592 10.314 1.00 54.58 ? 637 LYS A CD 1 ATOM 2255 C CE . LYS A 1 296 ? 26.791 -9.616 11.441 1.00 57.78 ? 637 LYS A CE 1 ATOM 2256 N NZ . LYS A 1 296 ? 25.695 -9.304 12.411 1.00 60.31 ? 637 LYS A NZ 1 ATOM 2257 N N . ASN A 1 297 ? 23.996 -3.615 10.863 1.00 41.61 ? 638 ASN A N 1 ATOM 2258 C CA . ASN A 1 297 ? 23.794 -2.411 11.665 1.00 38.43 ? 638 ASN A CA 1 ATOM 2259 C C . ASN A 1 297 ? 24.309 -2.550 13.100 1.00 36.31 ? 638 ASN A C 1 ATOM 2260 O O . ASN A 1 297 ? 23.529 -2.503 14.047 1.00 35.73 ? 638 ASN A O 1 ATOM 2261 C CB . ASN A 1 297 ? 22.303 -2.037 11.700 1.00 39.44 ? 638 ASN A CB 1 ATOM 2262 C CG . ASN A 1 297 ? 21.689 -1.893 10.306 1.00 38.11 ? 638 ASN A CG 1 ATOM 2263 O OD1 . ASN A 1 297 ? 22.235 -1.210 9.440 1.00 36.71 ? 638 ASN A OD1 1 ATOM 2264 N ND2 . ASN A 1 297 ? 20.534 -2.529 10.097 1.00 36.64 ? 638 ASN A ND2 1 ATOM 2265 N N . LEU A 1 298 ? 25.620 -2.713 13.262 1.00 34.27 ? 639 LEU A N 1 ATOM 2266 C CA . LEU A 1 298 ? 26.201 -2.862 14.595 1.00 31.28 ? 639 LEU A CA 1 ATOM 2267 C C . LEU A 1 298 ? 26.716 -1.527 15.137 1.00 29.90 ? 639 LEU A C 1 ATOM 2268 O O . LEU A 1 298 ? 27.464 -0.817 14.465 1.00 27.75 ? 639 LEU A O 1 ATOM 2269 C CB . LEU A 1 298 ? 27.330 -3.905 14.569 1.00 31.37 ? 639 LEU A CB 1 ATOM 2270 C CG . LEU A 1 298 ? 26.960 -5.311 14.067 1.00 31.18 ? 639 LEU A CG 1 ATOM 2271 C CD1 . LEU A 1 298 ? 28.173 -6.217 14.177 1.00 30.75 ? 639 LEU A CD1 1 ATOM 2272 C CD2 . LEU A 1 298 ? 25.799 -5.891 14.877 1.00 30.68 ? 639 LEU A CD2 1 ATOM 2273 N N . LEU A 1 299 ? 26.309 -1.204 16.364 1.00 28.88 ? 640 LEU A N 1 ATOM 2274 C CA . LEU A 1 299 ? 26.671 0.051 17.031 1.00 27.42 ? 640 LEU A CA 1 ATOM 2275 C C . LEU A 1 299 ? 25.977 1.232 16.331 1.00 27.75 ? 640 LEU A C 1 ATOM 2276 O O . LEU A 1 299 ? 25.415 2.108 16.983 1.00 27.47 ? 640 LEU A O 1 ATOM 2277 C CB . LEU A 1 299 ? 28.195 0.273 17.033 1.00 26.77 ? 640 LEU A CB 1 ATOM 2278 C CG . LEU A 1 299 ? 29.203 -0.761 17.575 1.00 27.17 ? 640 LEU A CG 1 ATOM 2279 C CD1 . LEU A 1 299 ? 30.530 -0.046 17.772 1.00 25.94 ? 640 LEU A CD1 1 ATOM 2280 C CD2 . LEU A 1 299 ? 28.758 -1.368 18.895 1.00 26.51 ? 640 LEU A CD2 1 ATOM 2281 N N . PHE A 1 300 ? 26.018 1.235 14.998 1.00 27.36 ? 641 PHE A N 1 ATOM 2282 C CA . PHE A 1 300 ? 25.399 2.274 14.176 1.00 27.77 ? 641 PHE A CA 1 ATOM 2283 C C . PHE A 1 300 ? 24.744 1.629 12.961 1.00 29.51 ? 641 PHE A C 1 ATOM 2284 O O . PHE A 1 300 ? 25.143 0.542 12.540 1.00 29.93 ? 641 PHE A O 1 ATOM 2285 C CB . PHE A 1 300 ? 26.453 3.256 13.671 1.00 26.42 ? 641 PHE A CB 1 ATOM 2286 C CG . PHE A 1 300 ? 27.153 3.997 14.753 1.00 27.13 ? 641 PHE A CG 1 ATOM 2287 C CD1 . PHE A 1 300 ? 26.526 5.059 15.397 1.00 28.54 ? 641 PHE A CD1 1 ATOM 2288 C CD2 . PHE A 1 300 ? 28.438 3.629 15.147 1.00 26.17 ? 641 PHE A CD2 1 ATOM 2289 C CE1 . PHE A 1 300 ? 27.167 5.745 16.425 1.00 27.54 ? 641 PHE A CE1 1 ATOM 2290 C CE2 . PHE A 1 300 ? 29.086 4.307 16.171 1.00 24.79 ? 641 PHE A CE2 1 ATOM 2291 C CZ . PHE A 1 300 ? 28.449 5.367 16.810 1.00 26.46 ? 641 PHE A CZ 1 ATOM 2292 N N . ASN A 1 301 ? 23.742 2.294 12.394 1.00 31.02 ? 642 ASN A N 1 ATOM 2293 C CA . ASN A 1 301 ? 23.095 1.773 11.198 1.00 31.93 ? 642 ASN A CA 1 ATOM 2294 C C . ASN A 1 301 ? 24.112 1.889 10.084 1.00 33.64 ? 642 ASN A C 1 ATOM 2295 O O . ASN A 1 301 ? 24.813 2.895 9.991 1.00 35.06 ? 642 ASN A O 1 ATOM 2296 C CB . ASN A 1 301 ? 21.864 2.593 10.828 1.00 31.32 ? 642 ASN A CB 1 ATOM 2297 C CG . ASN A 1 301 ? 20.653 2.224 11.647 1.00 33.69 ? 642 ASN A CG 1 ATOM 2298 O OD1 . ASN A 1 301 ? 20.310 1.047 11.773 1.00 34.41 ? 642 ASN A OD1 1 ATOM 2299 N ND2 . ASN A 1 301 ? 19.990 3.228 12.206 1.00 34.08 ? 642 ASN A ND2 1 ATOM 2300 N N . ASP A 1 302 ? 24.193 0.867 9.241 1.00 35.83 ? 643 ASP A N 1 ATOM 2301 C CA . ASP A 1 302 ? 25.138 0.876 8.134 1.00 37.74 ? 643 ASP A CA 1 ATOM 2302 C C . ASP A 1 302 ? 24.898 1.990 7.125 1.00 38.42 ? 643 ASP A C 1 ATOM 2303 O O . ASP A 1 302 ? 25.800 2.320 6.359 1.00 37.98 ? 643 ASP A O 1 ATOM 2304 C CB . ASP A 1 302 ? 25.130 -0.468 7.401 1.00 38.49 ? 643 ASP A CB 1 ATOM 2305 C CG . ASP A 1 302 ? 25.693 -1.582 8.237 1.00 40.79 ? 643 ASP A CG 1 ATOM 2306 O OD1 . ASP A 1 302 ? 26.640 -1.322 9.005 1.00 43.16 ? 643 ASP A OD1 1 ATOM 2307 O OD2 . ASP A 1 302 ? 25.198 -2.719 8.121 1.00 43.83 ? 643 ASP A OD2 1 ATOM 2308 N N . ASN A 1 303 ? 23.696 2.571 7.120 1.00 40.63 ? 644 ASN A N 1 ATOM 2309 C CA . ASN A 1 303 ? 23.381 3.643 6.169 1.00 42.66 ? 644 ASN A CA 1 ATOM 2310 C C . ASN A 1 303 ? 23.627 5.046 6.720 1.00 44.39 ? 644 ASN A C 1 ATOM 2311 O O . ASN A 1 303 ? 23.178 6.040 6.148 1.00 47.59 ? 644 ASN A O 1 ATOM 2312 C CB . ASN A 1 303 ? 21.931 3.516 5.658 1.00 41.20 ? 644 ASN A CB 1 ATOM 2313 C CG . ASN A 1 303 ? 20.891 3.917 6.688 1.00 41.03 ? 644 ASN A CG 1 ATOM 2314 O OD1 . ASN A 1 303 ? 21.206 4.174 7.848 1.00 41.57 ? 644 ASN A OD1 1 ATOM 2315 N ND2 . ASN A 1 303 ? 19.630 3.965 6.260 1.00 40.15 ? 644 ASN A ND2 1 ATOM 2316 N N . THR A 1 304 ? 24.358 5.120 7.824 1.00 44.51 ? 645 THR A N 1 ATOM 2317 C CA . THR A 1 304 ? 24.679 6.393 8.452 1.00 43.10 ? 645 THR A CA 1 ATOM 2318 C C . THR A 1 304 ? 25.769 7.104 7.648 1.00 43.38 ? 645 THR A C 1 ATOM 2319 O O . THR A 1 304 ? 26.828 6.539 7.381 1.00 43.56 ? 645 THR A O 1 ATOM 2320 C CB . THR A 1 304 ? 25.179 6.170 9.894 1.00 41.79 ? 645 THR A CB 1 ATOM 2321 O OG1 . THR A 1 304 ? 24.215 5.399 10.617 1.00 40.62 ? 645 THR A OG1 1 ATOM 2322 C CG2 . THR A 1 304 ? 25.391 7.498 10.598 1.00 40.48 ? 645 THR A CG2 1 ATOM 2323 N N . GLU A 1 305 ? 25.510 8.344 7.256 1.00 44.55 ? 646 GLU A N 1 ATOM 2324 C CA . GLU A 1 305 ? 26.498 9.095 6.499 1.00 46.09 ? 646 GLU A CA 1 ATOM 2325 C C . GLU A 1 305 ? 27.450 9.760 7.484 1.00 44.66 ? 646 GLU A C 1 ATOM 2326 O O . GLU A 1 305 ? 28.650 9.833 7.244 1.00 45.88 ? 646 GLU A O 1 ATOM 2327 C CB . GLU A 1 305 ? 25.828 10.161 5.632 1.00 50.47 ? 646 GLU A CB 1 ATOM 2328 C CG . GLU A 1 305 ? 26.699 10.603 4.469 1.00 56.65 ? 646 GLU A CG 1 ATOM 2329 C CD . GLU A 1 305 ? 26.564 12.078 4.141 1.00 60.38 ? 646 GLU A CD 1 ATOM 2330 O OE1 . GLU A 1 305 ? 25.439 12.514 3.801 1.00 60.83 ? 646 GLU A OE1 1 ATOM 2331 O OE2 . GLU A 1 305 ? 27.595 12.795 4.222 1.00 62.82 ? 646 GLU A OE2 1 ATOM 2332 N N . CYS A 1 306 ? 26.903 10.244 8.595 1.00 43.01 ? 647 CYS A N 1 ATOM 2333 C CA . CYS A 1 306 ? 27.699 10.890 9.639 1.00 40.30 ? 647 CYS A CA 1 ATOM 2334 C C . CYS A 1 306 ? 26.819 11.080 10.862 1.00 37.59 ? 647 CYS A C 1 ATOM 2335 O O . CYS A 1 306 ? 25.603 10.893 10.795 1.00 35.47 ? 647 CYS A O 1 ATOM 2336 C CB . CYS A 1 306 ? 28.182 12.276 9.188 1.00 41.53 ? 647 CYS A CB 1 ATOM 2337 S SG . CYS A 1 306 ? 26.891 13.559 9.348 1.00 39.77 ? 647 CYS A SG 1 ATOM 2338 N N . LEU A 1 307 ? 27.441 11.447 11.978 1.00 35.35 ? 648 LEU A N 1 ATOM 2339 C CA . LEU A 1 307 ? 26.705 11.725 13.205 1.00 34.09 ? 648 LEU A CA 1 ATOM 2340 C C . LEU A 1 307 ? 26.603 13.254 13.222 1.00 33.77 ? 648 LEU A C 1 ATOM 2341 O O . LEU A 1 307 ? 27.612 13.962 13.147 1.00 33.58 ? 648 LEU A O 1 ATOM 2342 C CB . LEU A 1 307 ? 27.462 11.191 14.429 1.00 33.19 ? 648 LEU A CB 1 ATOM 2343 C CG . LEU A 1 307 ? 27.568 9.666 14.583 1.00 32.29 ? 648 LEU A CG 1 ATOM 2344 C CD1 . LEU A 1 307 ? 28.532 9.335 15.715 1.00 31.83 ? 648 LEU A CD1 1 ATOM 2345 C CD2 . LEU A 1 307 ? 26.195 9.066 14.856 1.00 29.93 ? 648 LEU A CD2 1 ATOM 2346 N N . ALA A 1 308 ? 25.383 13.766 13.298 1.00 33.10 ? 649 ALA A N 1 ATOM 2347 C CA . ALA A 1 308 ? 25.178 15.205 13.257 1.00 33.25 ? 649 ALA A CA 1 ATOM 2348 C C . ALA A 1 308 ? 24.949 15.906 14.577 1.00 34.00 ? 649 ALA A C 1 ATOM 2349 O O . ALA A 1 308 ? 24.316 15.372 15.486 1.00 33.70 ? 649 ALA A O 1 ATOM 2350 C CB . ALA A 1 308 ? 24.026 15.524 12.315 1.00 32.50 ? 649 ALA A CB 1 ATOM 2351 N N . LYS A 1 309 ? 25.469 17.123 14.671 1.00 36.28 ? 650 LYS A N 1 ATOM 2352 C CA . LYS A 1 309 ? 25.276 17.919 15.867 1.00 37.62 ? 650 LYS A CA 1 ATOM 2353 C C . LYS A 1 309 ? 23.782 18.147 15.909 1.00 37.94 ? 650 LYS A C 1 ATOM 2354 O O . LYS A 1 309 ? 23.148 18.272 14.870 1.00 37.12 ? 650 LYS A O 1 ATOM 2355 C CB . LYS A 1 309 ? 25.985 19.273 15.763 1.00 37.80 ? 650 LYS A CB 1 ATOM 2356 C CG . LYS A 1 309 ? 27.494 19.196 15.631 1.00 40.38 ? 650 LYS A CG 1 ATOM 2357 C CD . LYS A 1 309 ? 28.140 20.552 15.890 1.00 39.89 ? 650 LYS A CD 1 ATOM 2358 C CE . LYS A 1 309 ? 29.655 20.484 15.727 1.00 43.33 ? 650 LYS A CE 1 ATOM 2359 N NZ . LYS A 1 309 ? 30.361 21.684 16.275 1.00 44.24 ? 650 LYS A NZ 1 ATOM 2360 N N . LEU A 1 310 ? 23.213 18.183 17.104 1.00 40.10 ? 651 LEU A N 1 ATOM 2361 C CA . LEU A 1 310 ? 21.789 18.411 17.220 1.00 41.44 ? 651 LEU A CA 1 ATOM 2362 C C . LEU A 1 310 ? 21.490 19.894 17.066 1.00 43.71 ? 651 LEU A C 1 ATOM 2363 O O . LEU A 1 310 ? 20.970 20.318 16.033 1.00 46.16 ? 651 LEU A O 1 ATOM 2364 C CB . LEU A 1 310 ? 21.272 17.886 18.556 1.00 39.42 ? 651 LEU A CB 1 ATOM 2365 C CG . LEU A 1 310 ? 21.411 16.373 18.697 1.00 36.70 ? 651 LEU A CG 1 ATOM 2366 C CD1 . LEU A 1 310 ? 20.744 15.917 19.972 1.00 37.90 ? 651 LEU A CD1 1 ATOM 2367 C CD2 . LEU A 1 310 ? 20.775 15.700 17.500 1.00 36.88 ? 651 LEU A CD2 1 ATOM 2368 N N . GLY A 1 311 ? 21.828 20.697 18.068 1.00 44.75 ? 652 GLY A N 1 ATOM 2369 C CA . GLY A 1 311 ? 21.554 22.119 17.945 1.00 45.94 ? 652 GLY A CA 1 ATOM 2370 C C . GLY A 1 311 ? 20.151 22.439 18.417 1.00 46.92 ? 652 GLY A C 1 ATOM 2371 O O . GLY A 1 311 ? 19.169 21.846 17.957 1.00 46.01 ? 652 GLY A O 1 ATOM 2372 N N . GLY A 1 312 ? 20.073 23.407 19.326 1.00 47.01 ? 653 GLY A N 1 ATOM 2373 C CA . GLY A 1 312 ? 18.818 23.795 19.934 1.00 44.26 ? 653 GLY A CA 1 ATOM 2374 C C . GLY A 1 312 ? 18.912 23.106 21.278 1.00 44.48 ? 653 GLY A C 1 ATOM 2375 O O . GLY A 1 312 ? 17.987 23.142 22.085 1.00 45.41 ? 653 GLY A O 1 ATOM 2376 N N . ARG A 1 313 ? 20.074 22.487 21.496 1.00 42.61 ? 654 ARG A N 1 ATOM 2377 C CA . ARG A 1 313 ? 20.380 21.738 22.703 1.00 42.71 ? 654 ARG A CA 1 ATOM 2378 C C . ARG A 1 313 ? 19.105 21.156 23.302 1.00 40.97 ? 654 ARG A C 1 ATOM 2379 O O . ARG A 1 313 ? 18.691 21.499 24.408 1.00 42.49 ? 654 ARG A O 1 ATOM 2380 C CB . ARG A 1 313 ? 21.152 22.623 23.679 1.00 45.07 ? 654 ARG A CB 1 ATOM 2381 C CG . ARG A 1 313 ? 22.661 22.519 23.458 1.00 51.07 ? 654 ARG A CG 1 ATOM 2382 C CD . ARG A 1 313 ? 23.433 23.703 24.028 1.00 56.97 ? 654 ARG A CD 1 ATOM 2383 N NE . ARG A 1 313 ? 24.701 23.299 24.642 1.00 61.79 ? 654 ARG A NE 1 ATOM 2384 C CZ . ARG A 1 313 ? 24.796 22.452 25.668 1.00 64.35 ? 654 ARG A CZ 1 ATOM 2385 N NH1 . ARG A 1 313 ? 23.703 21.907 26.198 1.00 65.44 ? 654 ARG A NH1 1 ATOM 2386 N NH2 . ARG A 1 313 ? 25.983 22.161 26.185 1.00 67.19 ? 654 ARG A NH2 1 ATOM 2387 N N . PRO A 1 314 ? 18.469 20.248 22.543 1.00 38.15 ? 655 PRO A N 1 ATOM 2388 C CA . PRO A 1 314 ? 17.235 19.507 22.798 1.00 36.26 ? 655 PRO A CA 1 ATOM 2389 C C . PRO A 1 314 ? 17.240 18.606 24.012 1.00 35.33 ? 655 PRO A C 1 ATOM 2390 O O . PRO A 1 314 ? 18.198 17.871 24.254 1.00 35.40 ? 655 PRO A O 1 ATOM 2391 C CB . PRO A 1 314 ? 17.062 18.675 21.528 1.00 35.52 ? 655 PRO A CB 1 ATOM 2392 C CG . PRO A 1 314 ? 17.831 19.413 20.505 1.00 35.95 ? 655 PRO A CG 1 ATOM 2393 C CD . PRO A 1 314 ? 19.040 19.829 21.252 1.00 37.65 ? 655 PRO A CD 1 ATOM 2394 N N . THR A 1 315 ? 16.157 18.653 24.772 1.00 34.80 ? 656 THR A N 1 ATOM 2395 C CA . THR A 1 315 ? 16.029 17.767 25.908 1.00 36.67 ? 656 THR A CA 1 ATOM 2396 C C . THR A 1 315 ? 15.522 16.513 25.190 1.00 36.87 ? 656 THR A C 1 ATOM 2397 O O . THR A 1 315 ? 15.125 16.599 24.031 1.00 38.04 ? 656 THR A O 1 ATOM 2398 C CB . THR A 1 315 ? 14.982 18.271 26.897 1.00 36.56 ? 656 THR A CB 1 ATOM 2399 O OG1 . THR A 1 315 ? 13.735 17.617 26.643 1.00 41.00 ? 656 THR A OG1 1 ATOM 2400 C CG2 . THR A 1 315 ? 14.799 19.758 26.752 1.00 34.59 ? 656 THR A CG2 1 ATOM 2401 N N . TYR A 1 316 ? 15.528 15.358 25.842 1.00 37.19 ? 657 TYR A N 1 ATOM 2402 C CA . TYR A 1 316 ? 15.083 14.136 25.179 1.00 36.88 ? 657 TYR A CA 1 ATOM 2403 C C . TYR A 1 316 ? 13.641 14.251 24.666 1.00 37.77 ? 657 TYR A C 1 ATOM 2404 O O . TYR A 1 316 ? 13.264 13.629 23.668 1.00 35.13 ? 657 TYR A O 1 ATOM 2405 C CB . TYR A 1 316 ? 15.239 12.943 26.131 1.00 34.99 ? 657 TYR A CB 1 ATOM 2406 C CG . TYR A 1 316 ? 14.083 12.708 27.068 1.00 34.70 ? 657 TYR A CG 1 ATOM 2407 C CD1 . TYR A 1 316 ? 13.071 11.809 26.737 1.00 35.25 ? 657 TYR A CD1 1 ATOM 2408 C CD2 . TYR A 1 316 ? 14.003 13.372 28.290 1.00 34.25 ? 657 TYR A CD2 1 ATOM 2409 C CE1 . TYR A 1 316 ? 12.009 11.577 27.604 1.00 36.00 ? 657 TYR A CE1 1 ATOM 2410 C CE2 . TYR A 1 316 ? 12.948 13.142 29.162 1.00 33.37 ? 657 TYR A CE2 1 ATOM 2411 C CZ . TYR A 1 316 ? 11.957 12.247 28.814 1.00 34.46 ? 657 TYR A CZ 1 ATOM 2412 O OH . TYR A 1 316 ? 10.914 12.016 29.678 1.00 37.84 ? 657 TYR A OH 1 ATOM 2413 N N . GLU A 1 317 ? 12.840 15.066 25.345 1.00 39.71 ? 658 GLU A N 1 ATOM 2414 C CA . GLU A 1 317 ? 11.454 15.262 24.944 1.00 40.30 ? 658 GLU A CA 1 ATOM 2415 C C . GLU A 1 317 ? 11.382 16.046 23.651 1.00 38.78 ? 658 GLU A C 1 ATOM 2416 O O . GLU A 1 317 ? 10.593 15.717 22.761 1.00 39.10 ? 658 GLU A O 1 ATOM 2417 C CB . GLU A 1 317 ? 10.672 15.980 26.039 1.00 43.20 ? 658 GLU A CB 1 ATOM 2418 C CG . GLU A 1 317 ? 10.285 15.081 27.210 1.00 50.28 ? 658 GLU A CG 1 ATOM 2419 C CD . GLU A 1 317 ? 9.749 15.865 28.394 1.00 54.74 ? 658 GLU A CD 1 ATOM 2420 O OE1 . GLU A 1 317 ? 10.569 16.406 29.170 1.00 56.72 ? 658 GLU A OE1 1 ATOM 2421 O OE2 . GLU A 1 317 ? 8.508 15.951 28.538 1.00 57.34 ? 658 GLU A OE2 1 ATOM 2422 N N . GLU A 1 318 ? 12.209 17.072 23.521 1.00 36.73 ? 659 GLU A N 1 ATOM 2423 C CA . GLU A 1 318 ? 12.169 17.832 22.287 1.00 35.94 ? 659 GLU A CA 1 ATOM 2424 C C . GLU A 1 318 ? 12.815 17.127 21.142 1.00 35.33 ? 659 GLU A C 1 ATOM 2425 O O . GLU A 1 318 ? 12.472 17.358 20.002 1.00 34.85 ? 659 GLU A O 1 ATOM 2426 C CB . GLU A 1 318 ? 12.840 19.158 22.437 1.00 35.66 ? 659 GLU A CB 1 ATOM 2427 C CG . GLU A 1 318 ? 13.128 19.497 23.806 1.00 38.43 ? 659 GLU A CG 1 ATOM 2428 C CD . GLU A 1 318 ? 13.539 20.911 23.862 1.00 38.84 ? 659 GLU A CD 1 ATOM 2429 O OE1 . GLU A 1 318 ? 12.708 21.798 23.632 1.00 38.65 ? 659 GLU A OE1 1 ATOM 2430 O OE2 . GLU A 1 318 ? 14.717 21.168 24.106 1.00 40.41 ? 659 GLU A OE2 1 ATOM 2431 N N . TYR A 1 319 ? 13.781 16.274 21.431 1.00 35.98 ? 660 TYR A N 1 ATOM 2432 C CA . TYR A 1 319 ? 14.421 15.546 20.345 1.00 35.22 ? 660 TYR A CA 1 ATOM 2433 C C . TYR A 1 319 ? 13.443 14.547 19.744 1.00 35.96 ? 660 TYR A C 1 ATOM 2434 O O . TYR A 1 319 ? 13.350 14.419 18.520 1.00 37.99 ? 660 TYR A O 1 ATOM 2435 C CB . TYR A 1 319 ? 15.668 14.779 20.805 1.00 32.08 ? 660 TYR A CB 1 ATOM 2436 C CG . TYR A 1 319 ? 16.251 13.960 19.680 1.00 30.23 ? 660 TYR A CG 1 ATOM 2437 C CD1 . TYR A 1 319 ? 17.056 14.551 18.724 1.00 28.68 ? 660 TYR A CD1 1 ATOM 2438 C CD2 . TYR A 1 319 ? 15.908 12.620 19.512 1.00 29.54 ? 660 TYR A CD2 1 ATOM 2439 C CE1 . TYR A 1 319 ? 17.506 13.841 17.623 1.00 28.01 ? 660 TYR A CE1 1 ATOM 2440 C CE2 . TYR A 1 319 ? 16.351 11.897 18.406 1.00 28.22 ? 660 TYR A CE2 1 ATOM 2441 C CZ . TYR A 1 319 ? 17.150 12.519 17.469 1.00 27.43 ? 660 TYR A CZ 1 ATOM 2442 O OH . TYR A 1 319 ? 17.599 11.818 16.382 1.00 31.61 ? 660 TYR A OH 1 ATOM 2443 N N . LEU A 1 320 ? 12.739 13.814 20.601 1.00 35.82 ? 661 LEU A N 1 ATOM 2444 C CA . LEU A 1 320 ? 11.782 12.830 20.108 1.00 38.14 ? 661 LEU A CA 1 ATOM 2445 C C . LEU A 1 320 ? 10.542 13.491 19.512 1.00 40.52 ? 661 LEU A C 1 ATOM 2446 O O . LEU A 1 320 ? 9.837 12.891 18.687 1.00 40.72 ? 661 LEU A O 1 ATOM 2447 C CB . LEU A 1 320 ? 11.359 11.864 21.224 1.00 35.73 ? 661 LEU A CB 1 ATOM 2448 C CG . LEU A 1 320 ? 12.423 10.917 21.797 1.00 34.46 ? 661 LEU A CG 1 ATOM 2449 C CD1 . LEU A 1 320 ? 11.806 10.093 22.904 1.00 32.88 ? 661 LEU A CD1 1 ATOM 2450 C CD2 . LEU A 1 320 ? 12.988 10.015 20.702 1.00 33.27 ? 661 LEU A CD2 1 ATOM 2451 N N . GLY A 1 321 ? 10.283 14.730 19.927 1.00 42.58 ? 662 GLY A N 1 ATOM 2452 C CA . GLY A 1 321 ? 9.124 15.445 19.428 1.00 43.92 ? 662 GLY A CA 1 ATOM 2453 C C . GLY A 1 321 ? 7.913 15.187 20.303 1.00 46.66 ? 662 GLY A C 1 ATOM 2454 O O . GLY A 1 321 ? 7.822 14.145 20.944 1.00 46.02 ? 662 GLY A O 1 ATOM 2455 N N . THR A 1 322 ? 6.972 16.124 20.319 1.00 49.55 ? 663 THR A N 1 ATOM 2456 C CA . THR A 1 322 ? 5.777 15.995 21.149 1.00 51.31 ? 663 THR A CA 1 ATOM 2457 C C . THR A 1 322 ? 4.745 14.957 20.746 1.00 51.05 ? 663 THR A C 1 ATOM 2458 O O . THR A 1 322 ? 4.101 14.357 21.603 1.00 50.93 ? 663 THR A O 1 ATOM 2459 C CB . THR A 1 322 ? 5.053 17.346 21.289 1.00 52.98 ? 663 THR A CB 1 ATOM 2460 O OG1 . THR A 1 322 ? 5.629 18.062 22.384 1.00 55.37 ? 663 THR A OG1 1 ATOM 2461 C CG2 . THR A 1 322 ? 3.559 17.152 21.535 1.00 55.34 ? 663 THR A CG2 1 ATOM 2462 N N . GLU A 1 323 ? 4.551 14.745 19.455 1.00 50.99 ? 664 GLU A N 1 ATOM 2463 C CA . GLU A 1 323 ? 3.549 13.771 19.060 1.00 50.99 ? 664 GLU A CA 1 ATOM 2464 C C . GLU A 1 323 ? 3.983 12.359 19.398 1.00 48.82 ? 664 GLU A C 1 ATOM 2465 O O . GLU A 1 323 ? 3.173 11.541 19.837 1.00 48.84 ? 664 GLU A O 1 ATOM 2466 C CB . GLU A 1 323 ? 3.251 13.880 17.568 1.00 54.68 ? 664 GLU A CB 1 ATOM 2467 C CG . GLU A 1 323 ? 4.474 14.147 16.720 1.00 60.09 ? 664 GLU A CG 1 ATOM 2468 C CD . GLU A 1 323 ? 4.240 13.834 15.252 1.00 63.53 ? 664 GLU A CD 1 ATOM 2469 O OE1 . GLU A 1 323 ? 3.059 13.745 14.836 1.00 65.23 ? 664 GLU A OE1 1 ATOM 2470 O OE2 . GLU A 1 323 ? 5.244 13.683 14.517 1.00 64.69 ? 664 GLU A OE2 1 ATOM 2471 N N . TYR A 1 324 ? 5.265 12.076 19.204 1.00 45.41 ? 665 TYR A N 1 ATOM 2472 C CA . TYR A 1 324 ? 5.797 10.753 19.486 1.00 41.93 ? 665 TYR A CA 1 ATOM 2473 C C . TYR A 1 324 ? 5.848 10.453 20.973 1.00 42.84 ? 665 TYR A C 1 ATOM 2474 O O . TYR A 1 324 ? 5.561 9.339 21.404 1.00 41.92 ? 665 TYR A O 1 ATOM 2475 C CB . TYR A 1 324 ? 7.195 10.615 18.892 1.00 37.81 ? 665 TYR A CB 1 ATOM 2476 C CG . TYR A 1 324 ? 7.797 9.243 19.080 1.00 34.16 ? 665 TYR A CG 1 ATOM 2477 C CD1 . TYR A 1 324 ? 7.023 8.097 18.930 1.00 32.37 ? 665 TYR A CD1 1 ATOM 2478 C CD2 . TYR A 1 324 ? 9.146 9.088 19.375 1.00 34.83 ? 665 TYR A CD2 1 ATOM 2479 C CE1 . TYR A 1 324 ? 7.570 6.837 19.067 1.00 30.10 ? 665 TYR A CE1 1 ATOM 2480 C CE2 . TYR A 1 324 ? 9.710 7.824 19.514 1.00 32.28 ? 665 TYR A CE2 1 ATOM 2481 C CZ . TYR A 1 324 ? 8.912 6.703 19.358 1.00 31.13 ? 665 TYR A CZ 1 ATOM 2482 O OH . TYR A 1 324 ? 9.452 5.443 19.488 1.00 31.75 ? 665 TYR A OH 1 ATOM 2483 N N . VAL A 1 325 ? 6.214 11.452 21.763 1.00 44.73 ? 666 VAL A N 1 ATOM 2484 C CA . VAL A 1 325 ? 6.306 11.248 23.194 1.00 45.47 ? 666 VAL A CA 1 ATOM 2485 C C . VAL A 1 325 ? 4.945 10.902 23.769 1.00 46.67 ? 666 VAL A C 1 ATOM 2486 O O . VAL A 1 325 ? 4.852 10.097 24.692 1.00 47.37 ? 666 VAL A O 1 ATOM 2487 C CB . VAL A 1 325 ? 6.892 12.490 23.901 1.00 45.48 ? 666 VAL A CB 1 ATOM 2488 C CG1 . VAL A 1 325 ? 6.826 12.315 25.406 1.00 44.12 ? 666 VAL A CG1 1 ATOM 2489 C CG2 . VAL A 1 325 ? 8.340 12.684 23.475 1.00 45.22 ? 666 VAL A CG2 1 ATOM 2490 N N . THR A 1 326 ? 3.882 11.486 23.226 1.00 48.11 ? 667 THR A N 1 ATOM 2491 C CA . THR A 1 326 ? 2.550 11.178 23.744 1.00 49.72 ? 667 THR A CA 1 ATOM 2492 C C . THR A 1 326 ? 2.129 9.775 23.339 1.00 48.46 ? 667 THR A C 1 ATOM 2493 O O . THR A 1 326 ? 1.443 9.080 24.091 1.00 47.94 ? 667 THR A O 1 ATOM 2494 C CB . THR A 1 326 ? 1.481 12.176 23.248 1.00 50.41 ? 667 THR A CB 1 ATOM 2495 O OG1 . THR A 1 326 ? 1.539 12.288 21.817 1.00 53.06 ? 667 THR A OG1 1 ATOM 2496 C CG2 . THR A 1 326 ? 1.698 13.528 23.889 1.00 50.02 ? 667 THR A CG2 1 ATOM 2497 N N . ALA A 1 327 ? 2.544 9.364 22.145 1.00 46.93 ? 668 ALA A N 1 ATOM 2498 C CA . ALA A 1 327 ? 2.220 8.037 21.644 1.00 44.94 ? 668 ALA A CA 1 ATOM 2499 C C . ALA A 1 327 ? 2.801 7.001 22.604 1.00 44.66 ? 668 ALA A C 1 ATOM 2500 O O . ALA A 1 327 ? 2.106 6.076 23.034 1.00 42.39 ? 668 ALA A O 1 ATOM 2501 C CB . ALA A 1 327 ? 2.802 7.856 20.256 1.00 42.27 ? 668 ALA A CB 1 ATOM 2502 N N . ILE A 1 328 ? 4.077 7.182 22.945 1.00 44.61 ? 669 ILE A N 1 ATOM 2503 C CA . ILE A 1 328 ? 4.780 6.284 23.856 1.00 44.99 ? 669 ILE A CA 1 ATOM 2504 C C . ILE A 1 328 ? 4.101 6.229 25.222 1.00 47.26 ? 669 ILE A C 1 ATOM 2505 O O . ILE A 1 328 ? 3.938 5.157 25.799 1.00 47.19 ? 669 ILE A O 1 ATOM 2506 C CB . ILE A 1 328 ? 6.242 6.732 24.096 1.00 44.55 ? 669 ILE A CB 1 ATOM 2507 C CG1 . ILE A 1 328 ? 6.977 6.922 22.769 1.00 43.24 ? 669 ILE A CG1 1 ATOM 2508 C CG2 . ILE A 1 328 ? 6.955 5.702 24.963 1.00 42.76 ? 669 ILE A CG2 1 ATOM 2509 C CD1 . ILE A 1 328 ? 7.134 5.656 21.974 1.00 46.00 ? 669 ILE A CD1 1 ATOM 2510 N N . ALA A 1 329 ? 3.720 7.394 25.740 1.00 49.36 ? 670 ALA A N 1 ATOM 2511 C CA . ALA A 1 329 ? 3.071 7.488 27.046 1.00 49.84 ? 670 ALA A CA 1 ATOM 2512 C C . ALA A 1 329 ? 1.790 6.668 27.079 1.00 50.64 ? 670 ALA A C 1 ATOM 2513 O O . ALA A 1 329 ? 1.632 5.779 27.918 1.00 52.00 ? 670 ALA A O 1 ATOM 2514 C CB . ALA A 1 329 ? 2.766 8.936 27.367 1.00 50.23 ? 670 ALA A CB 1 ATOM 2515 N N . ASN A 1 330 ? 0.878 6.971 26.161 1.00 50.42 ? 671 ASN A N 1 ATOM 2516 C CA . ASN A 1 330 ? -0.388 6.259 26.078 1.00 50.73 ? 671 ASN A CA 1 ATOM 2517 C C . ASN A 1 330 ? -0.207 4.742 25.963 1.00 49.48 ? 671 ASN A C 1 ATOM 2518 O O . ASN A 1 330 ? -0.977 3.977 26.540 1.00 49.53 ? 671 ASN A O 1 ATOM 2519 C CB . ASN A 1 330 ? -1.210 6.775 24.889 1.00 54.30 ? 671 ASN A CB 1 ATOM 2520 C CG . ASN A 1 330 ? -1.893 8.108 25.180 1.00 57.74 ? 671 ASN A CG 1 ATOM 2521 O OD1 . ASN A 1 330 ? -2.530 8.280 26.223 1.00 60.18 ? 671 ASN A OD1 1 ATOM 2522 N ND2 . ASN A 1 330 ? -1.779 9.049 24.249 1.00 58.96 ? 671 ASN A ND2 1 ATOM 2523 N N . LEU A 1 331 ? 0.801 4.306 25.217 1.00 47.18 ? 672 LEU A N 1 ATOM 2524 C CA . LEU A 1 331 ? 1.052 2.881 25.062 1.00 44.83 ? 672 LEU A CA 1 ATOM 2525 C C . LEU A 1 331 ? 1.537 2.266 26.374 1.00 47.34 ? 672 LEU A C 1 ATOM 2526 O O . LEU A 1 331 ? 1.145 1.154 26.727 1.00 46.61 ? 672 LEU A O 1 ATOM 2527 C CB . LEU A 1 331 ? 2.081 2.656 23.957 1.00 40.68 ? 672 LEU A CB 1 ATOM 2528 C CG . LEU A 1 331 ? 2.623 1.246 23.719 1.00 37.33 ? 672 LEU A CG 1 ATOM 2529 C CD1 . LEU A 1 331 ? 1.498 0.256 23.544 1.00 35.75 ? 672 LEU A CD1 1 ATOM 2530 C CD2 . LEU A 1 331 ? 3.502 1.265 22.490 1.00 35.49 ? 672 LEU A CD2 1 ATOM 2531 N N . LYS A 1 332 ? 2.376 3.003 27.100 1.00 50.01 ? 673 LYS A N 1 ATOM 2532 C CA . LYS A 1 332 ? 2.925 2.536 28.371 1.00 52.23 ? 673 LYS A CA 1 ATOM 2533 C C . LYS A 1 332 ? 1.851 2.343 29.423 1.00 54.33 ? 673 LYS A C 1 ATOM 2534 O O . LYS A 1 332 ? 2.012 1.544 30.341 1.00 54.78 ? 673 LYS A O 1 ATOM 2535 C CB . LYS A 1 332 ? 3.951 3.528 28.907 1.00 53.03 ? 673 LYS A CB 1 ATOM 2536 C CG . LYS A 1 332 ? 5.144 3.772 28.008 1.00 55.50 ? 673 LYS A CG 1 ATOM 2537 C CD . LYS A 1 332 ? 6.033 2.557 27.904 1.00 56.87 ? 673 LYS A CD 1 ATOM 2538 C CE . LYS A 1 332 ? 7.310 2.897 27.170 1.00 58.53 ? 673 LYS A CE 1 ATOM 2539 N NZ . LYS A 1 332 ? 8.231 1.729 27.139 1.00 60.80 ? 673 LYS A NZ 1 ATOM 2540 N N . LYS A 1 333 ? 0.762 3.092 29.305 1.00 56.54 ? 674 LYS A N 1 ATOM 2541 C CA . LYS A 1 333 ? -0.325 2.970 30.264 1.00 60.21 ? 674 LYS A CA 1 ATOM 2542 C C . LYS A 1 333 ? -0.768 1.520 30.331 1.00 61.57 ? 674 LYS A C 1 ATOM 2543 O O . LYS A 1 333 ? -1.049 0.989 31.403 1.00 62.40 ? 674 LYS A O 1 ATOM 2544 C CB . LYS A 1 333 ? -1.510 3.844 29.854 1.00 61.93 ? 674 LYS A CB 1 ATOM 2545 C CG . LYS A 1 333 ? -1.302 5.334 30.077 1.00 65.39 ? 674 LYS A CG 1 ATOM 2546 C CD . LYS A 1 333 ? -2.567 6.100 29.731 1.00 68.62 ? 674 LYS A CD 1 ATOM 2547 C CE . LYS A 1 333 ? -2.515 7.536 30.220 1.00 70.78 ? 674 LYS A CE 1 ATOM 2548 N NZ . LYS A 1 333 ? -3.862 8.170 30.093 1.00 72.12 ? 674 LYS A NZ 1 ATOM 2549 N N . CYS A 1 334 ? -0.815 0.885 29.168 1.00 63.21 ? 675 CYS A N 1 ATOM 2550 C CA . CYS A 1 334 ? -1.229 -0.504 29.055 1.00 64.56 ? 675 CYS A CA 1 ATOM 2551 C C . CYS A 1 334 ? -0.478 -1.476 29.942 1.00 67.28 ? 675 CYS A C 1 ATOM 2552 O O . CYS A 1 334 ? -1.080 -2.258 30.676 1.00 68.91 ? 675 CYS A O 1 ATOM 2553 C CB . CYS A 1 334 ? -1.089 -0.972 27.613 1.00 62.70 ? 675 CYS A CB 1 ATOM 2554 S SG . CYS A 1 334 ? -2.526 -0.590 26.580 1.00 62.72 ? 675 CYS A SG 1 ATOM 2555 N N . SER A 1 335 ? 0.844 -1.438 29.863 1.00 69.62 ? 676 SER A N 1 ATOM 2556 C CA . SER A 1 335 ? 1.670 -2.347 30.640 1.00 71.09 ? 676 SER A CA 1 ATOM 2557 C C . SER A 1 335 ? 2.334 -1.636 31.815 1.00 70.91 ? 676 SER A C 1 ATOM 2558 O O . SER A 1 335 ? 1.837 -1.684 32.941 1.00 71.43 ? 676 SER A O 1 ATOM 2559 C CB . SER A 1 335 ? 2.727 -2.977 29.723 1.00 71.99 ? 676 SER A CB 1 ATOM 2560 O OG . SER A 1 335 ? 3.468 -3.980 30.393 1.00 73.65 ? 676 SER A OG 1 ATOM 2561 N N . LEU A 1 340 ? 4.409 7.572 34.436 1.00 99.34 ? 681 LEU A N 1 ATOM 2562 C CA . LEU A 1 340 ? 4.256 9.012 34.252 1.00 99.62 ? 681 LEU A CA 1 ATOM 2563 C C . LEU A 1 340 ? 5.561 9.721 34.614 1.00 99.39 ? 681 LEU A C 1 ATOM 2564 O O . LEU A 1 340 ? 6.194 10.350 33.763 1.00 99.93 ? 681 LEU A O 1 ATOM 2565 C CB . LEU A 1 340 ? 3.115 9.543 35.136 1.00 100.00 ? 681 LEU A CB 1 ATOM 2566 C CG . LEU A 1 340 ? 2.522 10.931 34.847 1.00 100.00 ? 681 LEU A CG 1 ATOM 2567 C CD1 . LEU A 1 340 ? 1.712 10.889 33.553 1.00 100.00 ? 681 LEU A CD1 1 ATOM 2568 C CD2 . LEU A 1 340 ? 1.628 11.361 36.005 1.00 99.71 ? 681 LEU A CD2 1 ATOM 2569 N N . GLU A 1 341 ? 5.967 9.602 35.876 1.00 98.57 ? 682 GLU A N 1 ATOM 2570 C CA . GLU A 1 341 ? 7.190 10.247 36.352 1.00 96.96 ? 682 GLU A CA 1 ATOM 2571 C C . GLU A 1 341 ? 8.037 9.320 37.235 1.00 94.81 ? 682 GLU A C 1 ATOM 2572 O O . GLU A 1 341 ? 7.726 9.126 38.415 1.00 94.85 ? 682 GLU A O 1 ATOM 2573 C CB . GLU A 1 341 ? 6.830 11.500 37.156 1.00 98.24 ? 682 GLU A CB 1 ATOM 2574 C CG . GLU A 1 341 ? 7.767 12.692 36.976 1.00 99.24 ? 682 GLU A CG 1 ATOM 2575 C CD . GLU A 1 341 ? 7.285 13.648 35.895 1.00 100.00 ? 682 GLU A CD 1 ATOM 2576 O OE1 . GLU A 1 341 ? 6.051 13.778 35.733 1.00 100.00 ? 682 GLU A OE1 1 ATOM 2577 O OE2 . GLU A 1 341 ? 8.132 14.279 35.223 1.00 100.00 ? 682 GLU A OE2 1 ATOM 2578 N N . ALA A 1 342 ? 9.105 8.762 36.665 1.00 91.08 ? 683 ALA A N 1 ATOM 2579 C CA . ALA A 1 342 ? 10.008 7.875 37.397 1.00 86.53 ? 683 ALA A CA 1 ATOM 2580 C C . ALA A 1 342 ? 10.930 7.109 36.462 1.00 83.57 ? 683 ALA A C 1 ATOM 2581 O O . ALA A 1 342 ? 10.503 6.614 35.417 1.00 83.30 ? 683 ALA A O 1 ATOM 2582 C CB . ALA A 1 342 ? 9.214 6.882 38.251 1.00 85.98 ? 683 ALA A CB 1 ATOM 2583 N N . CYS A 1 343 ? 12.202 7.024 36.836 1.00 79.63 ? 684 CYS A N 1 ATOM 2584 C CA . CYS A 1 343 ? 13.157 6.270 36.044 1.00 75.20 ? 684 CYS A CA 1 ATOM 2585 C C . CYS A 1 343 ? 12.854 4.800 36.326 1.00 76.35 ? 684 CYS A C 1 ATOM 2586 O O . CYS A 1 343 ? 12.733 4.397 37.485 1.00 76.52 ? 684 CYS A O 1 ATOM 2587 C CB . CYS A 1 343 ? 14.590 6.600 36.456 1.00 68.00 ? 684 CYS A CB 1 ATOM 2588 S SG . CYS A 1 343 ? 15.826 5.419 35.823 1.00 57.85 ? 684 CYS A SG 1 ATOM 2589 N N . ALA A 1 344 ? 12.727 4.014 35.259 1.00 77.19 ? 685 ALA A N 1 ATOM 2590 C CA . ALA A 1 344 ? 12.407 2.588 35.344 1.00 76.75 ? 685 ALA A CA 1 ATOM 2591 C C . ALA A 1 344 ? 13.435 1.680 36.027 1.00 76.50 ? 685 ALA A C 1 ATOM 2592 O O . ALA A 1 344 ? 13.282 0.456 36.006 1.00 76.76 ? 685 ALA A O 1 ATOM 2593 C CB . ALA A 1 344 ? 12.110 2.051 33.943 1.00 76.59 ? 685 ALA A CB 1 ATOM 2594 N N . PHE A 1 345 ? 14.474 2.256 36.628 1.00 75.45 ? 686 PHE A N 1 ATOM 2595 C CA . PHE A 1 345 ? 15.492 1.446 37.294 1.00 75.11 ? 686 PHE A CA 1 ATOM 2596 C C . PHE A 1 345 ? 15.834 1.966 38.686 1.00 76.07 ? 686 PHE A C 1 ATOM 2597 O O . PHE A 1 345 ? 15.269 3.007 39.089 1.00 76.45 ? 686 PHE A O 1 ATOM 2598 C CB . PHE A 1 345 ? 16.768 1.386 36.448 1.00 72.34 ? 686 PHE A CB 1 ATOM 2599 C CG . PHE A 1 345 ? 16.546 0.884 35.048 1.00 70.92 ? 686 PHE A CG 1 ATOM 2600 C CD1 . PHE A 1 345 ? 15.981 -0.367 34.821 1.00 70.19 ? 686 PHE A CD1 1 ATOM 2601 C CD2 . PHE A 1 345 ? 16.895 1.669 33.952 1.00 69.41 ? 686 PHE A CD2 1 ATOM 2602 C CE1 . PHE A 1 345 ? 15.766 -0.824 33.524 1.00 69.10 ? 686 PHE A CE1 1 ATOM 2603 C CE2 . PHE A 1 345 ? 16.684 1.219 32.656 1.00 67.35 ? 686 PHE A CE2 1 ATOM 2604 C CZ . PHE A 1 345 ? 16.120 -0.028 32.440 1.00 68.11 ? 686 PHE A CZ 1 HETATM 2605 O O4 . NIM B 2 . ? 6.511 16.208 13.072 1.00 96.47 ? 1 NIM A O4 1 HETATM 2606 N N2 . NIM B 2 . ? 5.862 16.628 14.056 1.00 96.46 ? 1 NIM A N2 1 HETATM 2607 O O3 . NIM B 2 . ? 4.601 16.624 13.996 1.00 95.91 ? 1 NIM A O3 1 HETATM 2608 C C5 . NIM B 2 . ? 6.573 17.148 15.357 1.00 98.51 ? 1 NIM A C5 1 HETATM 2609 C C4 . NIM B 2 . ? 7.991 17.180 15.488 1.00 97.17 ? 1 NIM A C4 1 HETATM 2610 C C3 . NIM B 2 . ? 8.626 17.663 16.713 1.00 99.84 ? 1 NIM A C3 1 HETATM 2611 C C2 . NIM B 2 . ? 7.859 18.119 17.833 1.00 99.00 ? 1 NIM A C2 1 HETATM 2612 N N1 . NIM B 2 . ? 8.518 18.595 19.063 1.00 99.18 ? 1 NIM A N1 1 HETATM 2613 S S1 . NIM B 2 . ? 9.788 19.780 19.085 1.00 100.00 ? 1 NIM A S1 1 HETATM 2614 O O1 . NIM B 2 . ? 10.052 20.002 20.509 1.00 100.00 ? 1 NIM A O1 1 HETATM 2615 O O2 . NIM B 2 . ? 10.881 19.181 18.254 1.00 100.00 ? 1 NIM A O2 1 HETATM 2616 C C1 . NIM B 2 . ? 9.051 21.255 18.249 1.00 100.00 ? 1 NIM A C1 1 HETATM 2617 C C6 . NIM B 2 . ? 5.793 17.609 16.469 1.00 98.23 ? 1 NIM A C6 1 HETATM 2618 C C7 . NIM B 2 . ? 6.376 18.093 17.705 1.00 98.87 ? 1 NIM A C7 1 HETATM 2619 O O5 . NIM B 2 . ? 5.524 18.544 18.799 1.00 99.09 ? 1 NIM A O5 1 HETATM 2620 C C8 . NIM B 2 . ? 4.119 18.931 18.737 1.00 97.73 ? 1 NIM A C8 1 HETATM 2621 C C13 . NIM B 2 . ? 3.126 18.133 18.038 1.00 96.24 ? 1 NIM A C13 1 HETATM 2622 C C12 . NIM B 2 . ? 1.752 18.547 17.967 1.00 95.03 ? 1 NIM A C12 1 HETATM 2623 C C11 . NIM B 2 . ? 1.339 19.767 18.588 1.00 95.60 ? 1 NIM A C11 1 HETATM 2624 C C10 . NIM B 2 . ? 2.299 20.582 19.302 1.00 96.48 ? 1 NIM A C10 1 HETATM 2625 C C9 . NIM B 2 . ? 3.679 20.166 19.376 1.00 97.32 ? 1 NIM A C9 1 HETATM 2626 C C1 . NAG C 3 . ? 43.384 10.168 20.759 1.00 51.76 ? 2 NAG A C1 1 HETATM 2627 C C2 . NAG C 3 . ? 43.617 10.427 19.273 1.00 56.43 ? 2 NAG A C2 1 HETATM 2628 C C3 . NAG C 3 . ? 44.648 11.530 19.056 1.00 59.32 ? 2 NAG A C3 1 HETATM 2629 C C4 . NAG C 3 . ? 44.413 12.755 19.936 1.00 61.55 ? 2 NAG A C4 1 HETATM 2630 C C5 . NAG C 3 . ? 43.785 12.472 21.299 1.00 59.53 ? 2 NAG A C5 1 HETATM 2631 C C6 . NAG C 3 . ? 42.964 13.681 21.737 1.00 60.47 ? 2 NAG A C6 1 HETATM 2632 C C7 . NAG C 3 . ? 43.162 8.531 17.808 1.00 55.33 ? 2 NAG A C7 1 HETATM 2633 C C8 . NAG C 3 . ? 43.730 7.452 16.928 1.00 54.75 ? 2 NAG A C8 1 HETATM 2634 N N2 . NAG C 3 . ? 44.024 9.220 18.567 1.00 55.19 ? 2 NAG A N2 1 HETATM 2635 O O3 . NAG C 3 . ? 44.562 11.963 17.712 1.00 60.53 ? 2 NAG A O3 1 HETATM 2636 O O4 . NAG C 3 . ? 45.635 13.449 20.131 1.00 66.73 ? 2 NAG A O4 1 HETATM 2637 O O5 . NAG C 3 . ? 42.908 11.366 21.308 1.00 55.56 ? 2 NAG A O5 1 HETATM 2638 O O6 . NAG C 3 . ? 42.042 14.011 20.716 1.00 61.28 ? 2 NAG A O6 1 HETATM 2639 O O7 . NAG C 3 . ? 41.950 8.740 17.816 1.00 53.34 ? 2 NAG A O7 1 HETATM 2640 C C1 . NAG D 3 . ? 45.473 14.775 19.589 1.00 71.45 ? 3 NAG A C1 1 HETATM 2641 C C2 . NAG D 3 . ? 46.038 15.870 20.491 1.00 73.58 ? 3 NAG A C2 1 HETATM 2642 C C3 . NAG D 3 . ? 45.587 17.216 19.925 1.00 74.57 ? 3 NAG A C3 1 HETATM 2643 C C4 . NAG D 3 . ? 45.841 17.328 18.422 1.00 75.03 ? 3 NAG A C4 1 HETATM 2644 C C5 . NAG D 3 . ? 45.493 16.050 17.654 1.00 75.19 ? 3 NAG A C5 1 HETATM 2645 C C6 . NAG D 3 . ? 46.023 16.110 16.223 1.00 76.27 ? 3 NAG A C6 1 HETATM 2646 C C7 . NAG D 3 . ? 46.329 15.790 22.945 1.00 75.86 ? 3 NAG A C7 1 HETATM 2647 C C8 . NAG D 3 . ? 46.509 17.140 23.577 1.00 76.38 ? 3 NAG A C8 1 HETATM 2648 N N2 . NAG D 3 . ? 45.558 15.725 21.854 1.00 75.00 ? 3 NAG A N2 1 HETATM 2649 O O3 . NAG D 3 . ? 46.240 18.278 20.589 1.00 75.14 ? 3 NAG A O3 1 HETATM 2650 O O4 . NAG D 3 . ? 45.065 18.392 17.910 1.00 75.43 ? 3 NAG A O4 1 HETATM 2651 O O5 . NAG D 3 . ? 46.027 14.914 18.301 1.00 73.48 ? 3 NAG A O5 1 HETATM 2652 O O6 . NAG D 3 . ? 46.932 17.186 16.098 1.00 77.39 ? 3 NAG A O6 1 HETATM 2653 O O7 . NAG D 3 . ? 46.867 14.802 23.450 1.00 76.45 ? 3 NAG A O7 1 HETATM 2654 C C1 . NAG E 3 . ? -3.661 6.803 19.223 1.00 69.52 ? 4 NAG A C1 1 HETATM 2655 C C2 . NAG E 3 . ? -2.648 7.681 18.490 1.00 69.78 ? 4 NAG A C2 1 HETATM 2656 C C3 . NAG E 3 . ? -2.122 8.716 19.459 1.00 72.60 ? 4 NAG A C3 1 HETATM 2657 C C4 . NAG E 3 . ? -3.312 9.341 20.192 1.00 74.19 ? 4 NAG A C4 1 HETATM 2658 C C5 . NAG E 3 . ? -4.404 8.412 20.730 1.00 73.04 ? 4 NAG A C5 1 HETATM 2659 C C6 . NAG E 3 . ? -5.614 9.173 21.303 1.00 73.45 ? 4 NAG A C6 1 HETATM 2660 C C7 . NAG E 3 . ? -1.091 6.797 16.884 1.00 67.12 ? 4 NAG A C7 1 HETATM 2661 C C8 . NAG E 3 . ? 0.040 5.815 16.620 1.00 65.61 ? 4 NAG A C8 1 HETATM 2662 N N2 . NAG E 3 . ? -1.558 6.818 18.120 1.00 66.80 ? 4 NAG A N2 1 HETATM 2663 O O3 . NAG E 3 . ? -1.433 9.748 18.720 1.00 72.96 ? 4 NAG A O3 1 HETATM 2664 O O4 . NAG E 3 . ? -2.792 10.081 21.268 1.00 80.01 ? 4 NAG A O4 1 HETATM 2665 O O5 . NAG E 3 . ? -4.807 7.554 19.662 1.00 71.63 ? 4 NAG A O5 1 HETATM 2666 O O6 . NAG E 3 . ? -6.526 9.582 20.297 1.00 75.34 ? 4 NAG A O6 1 HETATM 2667 O O7 . NAG E 3 . ? -1.508 7.532 15.983 1.00 68.47 ? 4 NAG A O7 1 HETATM 2668 C C1 . NAG F 3 . ? -2.804 11.508 21.134 1.00 83.96 ? 5 NAG A C1 1 HETATM 2669 C C2 . NAG F 3 . ? -2.943 12.057 22.495 1.00 84.78 ? 5 NAG A C2 1 HETATM 2670 C C3 . NAG F 3 . ? -3.240 13.525 22.317 1.00 84.65 ? 5 NAG A C3 1 HETATM 2671 C C4 . NAG F 3 . ? -2.622 14.221 21.038 1.00 85.31 ? 5 NAG A C4 1 HETATM 2672 C C5 . NAG F 3 . ? -1.989 13.305 19.939 1.00 85.16 ? 5 NAG A C5 1 HETATM 2673 C C6 . NAG F 3 . ? -0.751 13.806 19.164 1.00 84.34 ? 5 NAG A C6 1 HETATM 2674 C C7 . NAG F 3 . ? -4.102 11.369 24.511 1.00 87.08 ? 5 NAG A C7 1 HETATM 2675 C C8 . NAG F 3 . ? -5.074 10.395 25.168 1.00 86.83 ? 5 NAG A C8 1 HETATM 2676 N N2 . NAG F 3 . ? -4.055 11.391 23.176 1.00 86.21 ? 5 NAG A N2 1 HETATM 2677 O O3 . NAG F 3 . ? -2.750 14.176 23.475 1.00 84.50 ? 5 NAG A O3 1 HETATM 2678 O O4 . NAG F 3 . ? -3.628 15.042 20.447 1.00 86.91 ? 5 NAG A O4 1 HETATM 2679 O O5 . NAG F 3 . ? -1.654 12.019 20.486 1.00 85.87 ? 5 NAG A O5 1 HETATM 2680 O O6 . NAG F 3 . ? 0.428 13.497 19.886 1.00 86.06 ? 5 NAG A O6 1 HETATM 2681 O O7 . NAG F 3 . ? -3.391 12.085 25.214 1.00 89.11 ? 5 NAG A O7 1 HETATM 2682 C C1 . MAN G 4 . ? -3.438 16.442 20.717 1.00 97.78 ? 6 MAN A C1 1 HETATM 2683 C C2 . MAN G 4 . ? -3.607 17.244 22.017 1.00 99.60 ? 6 MAN A C2 1 HETATM 2684 C C3 . MAN G 4 . ? -3.171 18.702 21.779 1.00 99.65 ? 6 MAN A C3 1 HETATM 2685 C C4 . MAN G 4 . ? -2.255 18.796 20.551 1.00 99.49 ? 6 MAN A C4 1 HETATM 2686 C C5 . MAN G 4 . ? -3.035 18.330 19.294 1.00 98.79 ? 6 MAN A C5 1 HETATM 2687 C C6 . MAN G 4 . ? -2.130 17.821 18.181 1.00 100.00 ? 6 MAN A C6 1 HETATM 2688 O O2 . MAN G 4 . ? -2.823 16.636 23.038 1.00 100.00 ? 6 MAN A O2 1 HETATM 2689 O O3 . MAN G 4 . ? -2.550 19.206 22.952 1.00 100.00 ? 6 MAN A O3 1 HETATM 2690 O O4 . MAN G 4 . ? -1.785 20.112 20.385 1.00 100.00 ? 6 MAN A O4 1 HETATM 2691 O O5 . MAN G 4 . ? -3.931 17.213 19.624 1.00 97.97 ? 6 MAN A O5 1 HETATM 2692 O O6 . MAN G 4 . ? -1.182 16.875 18.672 1.00 100.00 ? 6 MAN A O6 1 HETATM 2693 C C1 . NAG H 3 . ? 13.363 4.404 1.572 1.00 58.06 ? 7 NAG A C1 1 HETATM 2694 C C2 . NAG H 3 . ? 13.391 5.923 1.364 1.00 56.90 ? 7 NAG A C2 1 HETATM 2695 C C3 . NAG H 3 . ? 14.405 6.382 0.302 1.00 56.67 ? 7 NAG A C3 1 HETATM 2696 C C4 . NAG H 3 . ? 15.618 5.489 0.087 1.00 56.99 ? 7 NAG A C4 1 HETATM 2697 C C5 . NAG H 3 . ? 15.427 4.030 0.481 1.00 56.19 ? 7 NAG A C5 1 HETATM 2698 C C6 . NAG H 3 . ? 16.794 3.472 0.764 1.00 54.86 ? 7 NAG A C6 1 HETATM 2699 C C7 . NAG H 3 . ? 11.187 6.807 1.770 1.00 54.49 ? 7 NAG A C7 1 HETATM 2700 C C8 . NAG H 3 . ? 9.895 7.331 1.174 1.00 52.38 ? 7 NAG A C8 1 HETATM 2701 N N2 . NAG H 3 . ? 12.092 6.370 0.908 1.00 53.89 ? 7 NAG A N2 1 HETATM 2702 O O3 . NAG H 3 . ? 14.892 7.662 0.664 1.00 55.23 ? 7 NAG A O3 1 HETATM 2703 O O4 . NAG H 3 . ? 16.041 5.593 -1.277 1.00 62.26 ? 7 NAG A O4 1 HETATM 2704 O O5 . NAG H 3 . ? 14.693 3.934 1.723 1.00 59.97 ? 7 NAG A O5 1 HETATM 2705 O O6 . NAG H 3 . ? 17.025 3.458 2.161 1.00 52.31 ? 7 NAG A O6 1 HETATM 2706 O O7 . NAG H 3 . ? 11.351 6.787 2.994 1.00 57.95 ? 7 NAG A O7 1 HETATM 2707 C C1 . NAG I 3 . ? 17.211 6.186 -1.878 1.00 75.73 ? 8 NAG A C1 1 HETATM 2708 C C2 . NAG I 3 . ? 18.190 5.443 -2.784 1.00 76.20 ? 8 NAG A C2 1 HETATM 2709 C C3 . NAG I 3 . ? 19.477 6.273 -2.883 1.00 77.83 ? 8 NAG A C3 1 HETATM 2710 C C4 . NAG I 3 . ? 19.260 7.802 -2.934 1.00 78.97 ? 8 NAG A C4 1 HETATM 2711 C C5 . NAG I 3 . ? 18.118 8.273 -2.082 1.00 78.76 ? 8 NAG A C5 1 HETATM 2712 C C6 . NAG I 3 . ? 17.831 9.763 -2.134 1.00 80.14 ? 8 NAG A C6 1 HETATM 2713 C C7 . NAG I 3 . ? 18.477 3.011 -2.724 1.00 72.29 ? 8 NAG A C7 1 HETATM 2714 C C8 . NAG I 3 . ? 19.134 1.872 -1.964 1.00 70.92 ? 8 NAG A C8 1 HETATM 2715 N N2 . NAG I 3 . ? 18.517 4.192 -2.115 1.00 73.60 ? 8 NAG A N2 1 HETATM 2716 O O3 . NAG I 3 . ? 20.231 5.856 -4.013 1.00 79.78 ? 8 NAG A O3 1 HETATM 2717 O O4 . NAG I 3 . ? 20.371 8.348 -2.323 1.00 81.48 ? 8 NAG A O4 1 HETATM 2718 O O5 . NAG I 3 . ? 16.957 7.493 -2.367 1.00 78.32 ? 8 NAG A O5 1 HETATM 2719 O O6 . NAG I 3 . ? 16.583 10.079 -2.746 1.00 82.82 ? 8 NAG A O6 1 HETATM 2720 O O7 . NAG I 3 . ? 17.948 2.811 -3.821 1.00 71.43 ? 8 NAG A O7 1 HETATM 2721 C C1 . MAN J 4 . ? 21.208 9.036 -3.274 1.00 98.08 ? 9 MAN A C1 1 HETATM 2722 C C2 . MAN J 4 . ? 20.814 10.489 -3.223 1.00 98.91 ? 9 MAN A C2 1 HETATM 2723 C C3 . MAN J 4 . ? 21.470 11.298 -4.364 1.00 98.53 ? 9 MAN A C3 1 HETATM 2724 C C4 . MAN J 4 . ? 22.796 10.717 -4.939 1.00 97.60 ? 9 MAN A C4 1 HETATM 2725 C C5 . MAN J 4 . ? 23.013 9.221 -4.655 1.00 97.05 ? 9 MAN A C5 1 HETATM 2726 C C6 . MAN J 4 . ? 24.421 8.704 -4.828 1.00 96.22 ? 9 MAN A C6 1 HETATM 2727 O O2 . MAN J 4 . ? 21.163 11.028 -1.954 1.00 99.96 ? 9 MAN A O2 1 HETATM 2728 O O3 . MAN J 4 . ? 21.706 12.625 -3.905 1.00 99.16 ? 9 MAN A O3 1 HETATM 2729 O O4 . MAN J 4 . ? 22.772 10.899 -6.340 1.00 96.32 ? 9 MAN A O4 1 HETATM 2730 O O5 . MAN J 4 . ? 22.596 8.908 -3.335 1.00 96.72 ? 9 MAN A O5 1 HETATM 2731 O O6 . MAN J 4 . ? 24.584 8.144 -6.122 1.00 95.28 ? 9 MAN A O6 1 HETATM 2732 FE FE . FE K 5 . ? 14.519 2.406 15.003 1.00 28.80 ? 687 FE A FE 1 HETATM 2733 C C . CO3 L 6 . ? 12.955 0.297 15.373 1.00 34.74 ? 688 CO3 A C 1 HETATM 2734 O O1 . CO3 L 6 . ? 14.202 0.284 15.727 1.00 30.55 ? 688 CO3 A O1 1 HETATM 2735 O O2 . CO3 L 6 . ? 12.438 1.389 14.885 1.00 38.44 ? 688 CO3 A O2 1 HETATM 2736 O O3 . CO3 L 6 . ? 12.228 -0.771 15.500 1.00 35.66 ? 688 CO3 A O3 1 HETATM 2737 ZN ZN . ZN M 7 . ? 14.779 23.552 23.952 1.00 44.82 ? 689 ZN A ZN 1 HETATM 2738 ZN ZN . ZN N 7 . ? 3.016 10.856 7.560 1.00 47.09 ? 690 ZN A ZN 1 HETATM 2739 S S . SO4 O 8 . ? -1.196 -6.428 -4.800 1.00 93.69 ? 691 SO4 A S 1 HETATM 2740 O O1 . SO4 O 8 . ? -0.009 -5.568 -4.929 1.00 92.81 ? 691 SO4 A O1 1 HETATM 2741 O O2 . SO4 O 8 . ? -1.801 -6.600 -6.136 1.00 94.51 ? 691 SO4 A O2 1 HETATM 2742 O O3 . SO4 O 8 . ? -0.813 -7.752 -4.258 1.00 93.84 ? 691 SO4 A O3 1 HETATM 2743 O O4 . SO4 O 8 . ? -2.165 -5.798 -3.886 1.00 93.49 ? 691 SO4 A O4 1 HETATM 2744 O O . HOH P 9 . ? 11.389 -10.414 14.303 1.00 19.17 ? 692 HOH A O 1 HETATM 2745 O O . HOH P 9 . ? 13.247 6.213 16.443 1.00 23.68 ? 693 HOH A O 1 HETATM 2746 O O . HOH P 9 . ? 25.959 1.792 19.907 1.00 23.19 ? 694 HOH A O 1 HETATM 2747 O O . HOH P 9 . ? 19.661 0.666 8.763 1.00 26.10 ? 695 HOH A O 1 HETATM 2748 O O . HOH P 9 . ? 26.032 -8.179 19.221 1.00 27.97 ? 696 HOH A O 1 HETATM 2749 O O . HOH P 9 . ? 7.447 7.162 -1.580 1.00 30.02 ? 697 HOH A O 1 HETATM 2750 O O . HOH P 9 . ? 19.545 -0.271 13.984 1.00 24.11 ? 698 HOH A O 1 HETATM 2751 O O . HOH P 9 . ? 27.517 -0.136 11.438 1.00 30.43 ? 699 HOH A O 1 HETATM 2752 O O . HOH P 9 . ? -0.525 4.873 5.931 1.00 30.34 ? 700 HOH A O 1 HETATM 2753 O O . HOH P 9 . ? 6.537 0.378 11.683 1.00 25.42 ? 701 HOH A O 1 HETATM 2754 O O . HOH P 9 . ? 5.693 -13.987 4.336 1.00 31.11 ? 702 HOH A O 1 HETATM 2755 O O . HOH P 9 . ? 11.411 -11.298 -3.837 1.00 55.42 ? 703 HOH A O 1 HETATM 2756 O O . HOH P 9 . ? 17.155 5.250 7.715 1.00 38.50 ? 704 HOH A O 1 HETATM 2757 O O . HOH P 9 . ? 31.194 13.952 34.214 1.00 44.68 ? 705 HOH A O 1 HETATM 2758 O O . HOH P 9 . ? 22.922 -6.605 19.454 1.00 38.93 ? 706 HOH A O 1 HETATM 2759 O O . HOH P 9 . ? 25.680 -0.301 21.113 1.00 29.04 ? 707 HOH A O 1 HETATM 2760 O O . HOH P 9 . ? 19.120 -3.245 14.131 1.00 63.29 ? 708 HOH A O 1 HETATM 2761 O O . HOH P 9 . ? 19.763 -12.885 10.537 1.00 29.27 ? 709 HOH A O 1 HETATM 2762 O O . HOH P 9 . ? 5.588 -12.215 -3.014 1.00 39.80 ? 710 HOH A O 1 HETATM 2763 O O . HOH P 9 . ? 13.659 0.374 27.213 1.00 49.79 ? 711 HOH A O 1 HETATM 2764 O O . HOH P 9 . ? 3.204 1.236 5.619 1.00 29.69 ? 712 HOH A O 1 HETATM 2765 O O . HOH P 9 . ? 17.982 -4.533 23.205 1.00 30.40 ? 713 HOH A O 1 HETATM 2766 O O . HOH P 9 . ? -3.578 -1.803 4.212 1.00 27.56 ? 714 HOH A O 1 HETATM 2767 O O . HOH P 9 . ? 0.272 -9.834 19.782 1.00 41.50 ? 715 HOH A O 1 HETATM 2768 O O . HOH P 9 . ? 3.460 -11.891 3.749 1.00 35.04 ? 716 HOH A O 1 HETATM 2769 O O . HOH P 9 . ? 32.051 4.534 8.244 1.00 38.57 ? 717 HOH A O 1 HETATM 2770 O O . HOH P 9 . ? 16.983 3.742 12.356 1.00 28.15 ? 718 HOH A O 1 HETATM 2771 O O . HOH P 9 . ? 18.009 -1.474 7.591 1.00 37.52 ? 719 HOH A O 1 HETATM 2772 O O . HOH P 9 . ? 29.190 -9.870 13.764 1.00 59.89 ? 720 HOH A O 1 HETATM 2773 O O . HOH P 9 . ? -0.629 5.082 21.674 1.00 44.77 ? 721 HOH A O 1 HETATM 2774 O O . HOH P 9 . ? 7.610 -1.274 27.658 1.00 60.59 ? 722 HOH A O 1 HETATM 2775 O O . HOH P 9 . ? 33.797 -1.775 10.110 1.00 46.62 ? 723 HOH A O 1 HETATM 2776 O O . HOH P 9 . ? 16.110 -17.474 3.893 1.00 48.59 ? 724 HOH A O 1 HETATM 2777 O O . HOH P 9 . ? 21.251 2.327 16.280 1.00 47.32 ? 725 HOH A O 1 HETATM 2778 O O . HOH P 9 . ? 14.940 -15.985 1.488 1.00 48.91 ? 726 HOH A O 1 HETATM 2779 O O . HOH P 9 . ? -0.694 -14.140 25.191 1.00 49.13 ? 727 HOH A O 1 HETATM 2780 O O . HOH P 9 . ? 20.452 -0.693 17.469 1.00 72.76 ? 728 HOH A O 1 HETATM 2781 O O . HOH P 9 . ? 12.609 -6.345 27.604 1.00 52.39 ? 729 HOH A O 1 HETATM 2782 O O . HOH P 9 . ? 14.326 14.693 16.021 1.00 38.49 ? 730 HOH A O 1 HETATM 2783 O O . HOH P 9 . ? 32.063 20.678 13.749 1.00 61.75 ? 731 HOH A O 1 HETATM 2784 O O . HOH P 9 . ? 20.921 17.384 23.289 1.00 46.64 ? 732 HOH A O 1 HETATM 2785 O O . HOH P 9 . ? 22.695 0.223 20.730 1.00 32.54 ? 733 HOH A O 1 HETATM 2786 O O . HOH P 9 . ? -1.259 -9.511 -6.612 1.00 55.47 ? 734 HOH A O 1 HETATM 2787 O O . HOH P 9 . ? 22.561 -15.455 15.929 1.00 51.45 ? 735 HOH A O 1 HETATM 2788 O O . HOH P 9 . ? 31.601 -8.045 14.507 1.00 43.00 ? 736 HOH A O 1 HETATM 2789 O O . HOH P 9 . ? 27.019 -18.380 18.201 1.00 55.20 ? 737 HOH A O 1 HETATM 2790 O O . HOH P 9 . ? 24.591 -14.560 6.125 1.00 58.79 ? 738 HOH A O 1 HETATM 2791 O O . HOH P 9 . ? 9.504 -20.920 7.093 1.00 38.99 ? 739 HOH A O 1 HETATM 2792 O O . HOH P 9 . ? 18.438 6.511 12.692 1.00 43.65 ? 740 HOH A O 1 HETATM 2793 O O . HOH P 9 . ? -0.747 -15.249 -4.391 1.00 43.55 ? 741 HOH A O 1 HETATM 2794 O O . HOH P 9 . ? 24.116 -8.125 30.554 1.00 63.35 ? 742 HOH A O 1 HETATM 2795 O O . HOH P 9 . ? 23.293 -12.989 25.746 1.00 60.94 ? 743 HOH A O 1 HETATM 2796 O O . HOH P 9 . ? 1.031 7.233 5.199 1.00 56.45 ? 744 HOH A O 1 HETATM 2797 O O . HOH P 9 . ? 28.446 17.765 29.580 1.00 52.99 ? 745 HOH A O 1 HETATM 2798 O O . HOH P 9 . ? 20.932 -11.402 14.197 1.00 54.95 ? 746 HOH A O 1 HETATM 2799 O O . HOH P 9 . ? 12.831 -2.973 27.077 1.00 43.74 ? 747 HOH A O 1 HETATM 2800 O O . HOH P 9 . ? 38.243 -2.009 25.036 1.00 45.46 ? 748 HOH A O 1 HETATM 2801 O O . HOH P 9 . ? 21.670 -4.196 15.188 1.00 41.89 ? 749 HOH A O 1 HETATM 2802 O O . HOH P 9 . ? 4.421 -6.752 30.202 1.00 61.65 ? 750 HOH A O 1 HETATM 2803 O O . HOH P 9 . ? 20.638 6.317 10.040 1.00 38.61 ? 751 HOH A O 1 HETATM 2804 O O . HOH P 9 . ? -4.929 -1.948 -2.549 1.00 57.55 ? 752 HOH A O 1 HETATM 2805 O O . HOH P 9 . ? -3.233 -13.433 27.104 1.00 39.41 ? 753 HOH A O 1 HETATM 2806 O O . HOH P 9 . ? 39.069 -4.469 23.611 1.00 34.87 ? 754 HOH A O 1 HETATM 2807 O O . HOH P 9 . ? 26.768 -9.871 3.603 1.00 61.97 ? 755 HOH A O 1 HETATM 2808 O O . HOH P 9 . ? 19.752 -8.253 -1.951 1.00 55.67 ? 756 HOH A O 1 HETATM 2809 O O . HOH P 9 . ? 36.975 0.159 29.494 1.00 55.88 ? 757 HOH A O 1 HETATM 2810 O O . HOH P 9 . ? 44.149 3.814 13.297 1.00 71.65 ? 758 HOH A O 1 HETATM 2811 O O . HOH P 9 . ? 23.370 -0.387 17.877 1.00 33.60 ? 759 HOH A O 1 HETATM 2812 O O . HOH P 9 . ? 5.283 -1.783 25.411 1.00 42.50 ? 760 HOH A O 1 HETATM 2813 O O . HOH P 9 . ? 19.444 -4.942 11.678 1.00 48.39 ? 761 HOH A O 1 HETATM 2814 O O . HOH P 9 . ? 16.003 -5.750 30.093 1.00 61.23 ? 762 HOH A O 1 HETATM 2815 O O . HOH P 9 . ? 9.825 4.922 -1.324 1.00 52.46 ? 763 HOH A O 1 HETATM 2816 O O . HOH P 9 . ? -7.750 -16.044 17.658 1.00 51.21 ? 764 HOH A O 1 HETATM 2817 O O . HOH P 9 . ? 24.461 -19.299 6.277 1.00 59.07 ? 765 HOH A O 1 HETATM 2818 O O . HOH P 9 . ? 4.666 8.268 -2.601 1.00 47.93 ? 766 HOH A O 1 HETATM 2819 O O . HOH P 9 . ? 11.240 10.234 35.135 1.00 68.61 ? 767 HOH A O 1 HETATM 2820 O O . HOH P 9 . ? 16.031 -21.569 11.895 1.00 56.44 ? 768 HOH A O 1 HETATM 2821 O O . HOH P 9 . ? 23.870 -3.692 33.291 1.00 35.40 ? 769 HOH A O 1 HETATM 2822 O O . HOH P 9 . ? 14.506 13.181 1.270 1.00 54.81 ? 770 HOH A O 1 HETATM 2823 O O . HOH P 9 . ? 33.319 7.369 31.677 1.00 68.81 ? 771 HOH A O 1 HETATM 2824 O O . HOH P 9 . ? 22.484 -0.163 15.274 1.00 31.44 ? 772 HOH A O 1 HETATM 2825 O O . HOH P 9 . ? -9.698 1.203 5.668 1.00 55.70 ? 773 HOH A O 1 HETATM 2826 O O . HOH P 9 . ? 20.545 -2.620 -6.318 1.00 42.75 ? 774 HOH A O 1 HETATM 2827 O O . HOH P 9 . ? 22.788 -0.655 3.779 1.00 55.85 ? 775 HOH A O 1 HETATM 2828 O O . HOH P 9 . ? 17.020 -14.548 -1.525 1.00 50.70 ? 776 HOH A O 1 HETATM 2829 O O . HOH P 9 . ? 11.113 -20.039 14.430 1.00 54.39 ? 777 HOH A O 1 HETATM 2830 O O . HOH P 9 . ? 7.534 13.334 16.749 1.00 57.60 ? 778 HOH A O 1 HETATM 2831 O O . HOH P 9 . ? 20.591 -1.097 21.283 1.00 37.04 ? 779 HOH A O 1 HETATM 2832 O O . HOH P 9 . ? 18.336 12.334 8.734 1.00 48.13 ? 780 HOH A O 1 HETATM 2833 O O . HOH P 9 . ? 22.486 -3.151 2.155 1.00 59.86 ? 781 HOH A O 1 HETATM 2834 O O . HOH P 9 . ? 9.978 2.573 24.637 1.00 43.59 ? 782 HOH A O 1 HETATM 2835 O O . HOH P 9 . ? 29.718 1.871 39.436 1.00 40.29 ? 783 HOH A O 1 HETATM 2836 O O . HOH P 9 . ? 29.875 -8.268 9.961 1.00 53.24 ? 784 HOH A O 1 HETATM 2837 O O . HOH P 9 . ? 7.182 -18.782 23.039 1.00 47.91 ? 785 HOH A O 1 HETATM 2838 O O . HOH P 9 . ? 27.833 9.427 30.035 1.00 43.41 ? 786 HOH A O 1 HETATM 2839 O O . HOH P 9 . ? -2.353 -16.833 11.283 1.00 44.79 ? 787 HOH A O 1 HETATM 2840 O O . HOH P 9 . ? -8.386 -2.772 3.759 1.00 58.15 ? 788 HOH A O 1 HETATM 2841 O O . HOH P 9 . ? 1.227 8.223 8.259 1.00 54.26 ? 789 HOH A O 1 HETATM 2842 O O . HOH P 9 . ? 32.214 -5.877 12.534 1.00 46.75 ? 790 HOH A O 1 HETATM 2843 O O . HOH P 9 . ? 5.805 -3.365 32.010 1.00 64.05 ? 791 HOH A O 1 HETATM 2844 O O . HOH P 9 . ? 5.289 8.155 -5.911 1.00 58.45 ? 792 HOH A O 1 HETATM 2845 O O . HOH P 9 . ? 15.985 12.780 13.958 1.00 59.34 ? 793 HOH A O 1 HETATM 2846 O O . HOH P 9 . ? 31.342 -5.052 30.279 1.00 47.18 ? 794 HOH A O 1 HETATM 2847 O O . HOH P 9 . ? 20.724 -2.786 18.954 1.00 47.87 ? 795 HOH A O 1 HETATM 2848 O O . HOH P 9 . ? -3.649 -14.056 1.896 1.00 52.93 ? 796 HOH A O 1 HETATM 2849 O O . HOH P 9 . ? 4.612 2.465 -7.485 1.00 65.76 ? 797 HOH A O 1 HETATM 2850 O O . HOH P 9 . ? -4.342 -9.542 27.612 1.00 57.11 ? 798 HOH A O 1 HETATM 2851 O O . HOH P 9 . ? 12.822 1.902 39.117 1.00 51.87 ? 799 HOH A O 1 HETATM 2852 O O . HOH P 9 . ? 17.039 14.647 28.372 1.00 41.64 ? 800 HOH A O 1 HETATM 2853 O O . HOH P 9 . ? 10.503 14.441 31.199 1.00 58.02 ? 801 HOH A O 1 HETATM 2854 O O . HOH P 9 . ? -4.700 -12.794 -7.909 1.00 35.23 ? 802 HOH A O 1 HETATM 2855 O O . HOH P 9 . ? 32.690 4.185 37.051 1.00 42.61 ? 803 HOH A O 1 HETATM 2856 O O . HOH P 9 . ? 12.741 6.090 5.599 1.00 53.02 ? 804 HOH A O 1 HETATM 2857 O O . HOH P 9 . ? 5.458 -19.404 10.722 1.00 56.19 ? 805 HOH A O 1 HETATM 2858 O O . HOH P 9 . ? 35.341 -1.863 30.467 1.00 55.66 ? 806 HOH A O 1 HETATM 2859 O O . HOH P 9 . ? 5.301 -12.385 -6.228 1.00 52.94 ? 807 HOH A O 1 HETATM 2860 O O . HOH P 9 . ? -4.070 -2.607 31.491 1.00 69.88 ? 808 HOH A O 1 HETATM 2861 O O . HOH P 9 . ? 27.855 5.077 5.277 1.00 59.96 ? 809 HOH A O 1 HETATM 2862 O O . HOH P 9 . ? -6.435 -4.367 12.294 1.00 51.90 ? 810 HOH A O 1 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 TYR 1 342 342 TYR TYR A . n A 1 2 THR 2 343 343 THR THR A . n A 1 3 ARG 3 344 344 ARG ARG A . n A 1 4 VAL 4 345 345 VAL VAL A . n A 1 5 VAL 5 346 346 VAL VAL A . n A 1 6 TRP 6 347 347 TRP TRP A . n A 1 7 CYS 7 348 348 CYS CYS A . n A 1 8 ALA 8 349 349 ALA ALA A . n A 1 9 VAL 9 350 350 VAL VAL A . n A 1 10 GLY 10 351 351 GLY GLY A . n A 1 11 PRO 11 352 352 PRO PRO A . n A 1 12 GLU 12 353 353 GLU GLU A . n A 1 13 GLU 13 354 354 GLU GLU A . n A 1 14 GLN 14 355 355 GLN GLN A . n A 1 15 LYS 15 356 356 LYS LYS A . n A 1 16 LYS 16 357 357 LYS LYS A . n A 1 17 CYS 17 358 358 CYS CYS A . n A 1 18 GLN 18 359 359 GLN GLN A . n A 1 19 GLN 19 360 360 GLN GLN A . n A 1 20 TRP 20 361 361 TRP TRP A . n A 1 21 SER 21 362 362 SER SER A . n A 1 22 GLN 22 363 363 GLN GLN A . n A 1 23 GLN 23 364 364 GLN GLN A . n A 1 24 SER 24 365 365 SER SER A . n A 1 25 GLY 25 366 366 GLY GLY A . n A 1 26 GLN 26 367 367 GLN GLN A . n A 1 27 ASN 27 368 368 ASN ASN A . n A 1 28 VAL 28 369 369 VAL VAL A . n A 1 29 THR 29 370 370 THR THR A . n A 1 30 CYS 30 371 371 CYS CYS A . n A 1 31 ALA 31 372 372 ALA ALA A . n A 1 32 THR 32 373 373 THR THR A . n A 1 33 ALA 33 374 374 ALA ALA A . n A 1 34 SER 34 375 375 SER SER A . n A 1 35 THR 35 376 376 THR THR A . n A 1 36 THR 36 377 377 THR THR A . n A 1 37 ASP 37 378 378 ASP ASP A . n A 1 38 ASP 38 379 379 ASP ASP A . n A 1 39 CYS 39 380 380 CYS CYS A . n A 1 40 ILE 40 381 381 ILE ILE A . n A 1 41 VAL 41 382 382 VAL VAL A . n A 1 42 LEU 42 383 383 LEU LEU A . n A 1 43 VAL 43 384 384 VAL VAL A . n A 1 44 LEU 44 385 385 LEU LEU A . n A 1 45 LYS 45 386 386 LYS LYS A . n A 1 46 GLY 46 387 387 GLY GLY A . n A 1 47 GLU 47 388 388 GLU GLU A . n A 1 48 ALA 48 389 389 ALA ALA A . n A 1 49 ASP 49 390 390 ASP ASP A . n A 1 50 ALA 50 391 391 ALA ALA A . n A 1 51 LEU 51 392 392 LEU LEU A . n A 1 52 ASN 52 393 393 ASN ASN A . n A 1 53 LEU 53 394 394 LEU LEU A . n A 1 54 ASP 54 395 395 ASP ASP A . n A 1 55 GLY 55 396 396 GLY GLY A . n A 1 56 GLY 56 397 397 GLY GLY A . n A 1 57 TYR 57 398 398 TYR TYR A . n A 1 58 ILE 58 399 399 ILE ILE A . n A 1 59 TYR 59 400 400 TYR TYR A . n A 1 60 THR 60 401 401 THR THR A . n A 1 61 ALA 61 402 402 ALA ALA A . n A 1 62 GLY 62 403 403 GLY GLY A . n A 1 63 LYS 63 404 404 LYS LYS A . n A 1 64 CYS 64 405 405 CYS CYS A . n A 1 65 GLY 65 406 406 GLY GLY A . n A 1 66 LEU 66 407 407 LEU LEU A . n A 1 67 VAL 67 408 408 VAL VAL A . n A 1 68 PRO 68 409 409 PRO PRO A . n A 1 69 VAL 69 410 410 VAL VAL A . n A 1 70 LEU 70 411 411 LEU LEU A . n A 1 71 ALA 71 412 412 ALA ALA A . n A 1 72 GLU 72 413 413 GLU GLU A . n A 1 73 ASN 73 414 414 ASN ASN A . n A 1 74 ARG 74 415 415 ARG ARG A . n A 1 75 LYS 75 416 416 LYS LYS A . n A 1 76 SER 76 417 417 SER SER A . n A 1 77 SER 77 418 418 SER SER A . n A 1 78 LYS 78 419 419 LYS LYS A . n A 1 79 HIS 79 420 420 HIS HIS A . n A 1 80 SER 80 421 421 SER SER A . n A 1 81 SER 81 422 422 SER SER A . n A 1 82 LEU 82 423 423 LEU LEU A . n A 1 83 ASP 83 424 424 ASP ASP A . n A 1 84 CYS 84 425 425 CYS CYS A . n A 1 85 VAL 85 426 426 VAL VAL A . n A 1 86 LEU 86 427 427 LEU LEU A . n A 1 87 ARG 87 428 428 ARG ARG A . n A 1 88 PRO 88 429 429 PRO PRO A . n A 1 89 THR 89 430 430 THR THR A . n A 1 90 GLU 90 431 431 GLU GLU A . n A 1 91 GLY 91 432 432 GLY GLY A . n A 1 92 TYR 92 433 433 TYR TYR A . n A 1 93 LEU 93 434 434 LEU LEU A . n A 1 94 ALA 94 435 435 ALA ALA A . n A 1 95 VAL 95 436 436 VAL VAL A . n A 1 96 ALA 96 437 437 ALA ALA A . n A 1 97 VAL 97 438 438 VAL VAL A . n A 1 98 VAL 98 439 439 VAL VAL A . n A 1 99 LYS 99 440 440 LYS LYS A . n A 1 100 LYS 100 441 441 LYS LYS A . n A 1 101 ALA 101 442 442 ALA ALA A . n A 1 102 ASN 102 443 443 ASN ASN A . n A 1 103 GLU 103 444 444 GLU GLU A . n A 1 104 GLY 104 445 445 GLY GLY A . n A 1 105 LEU 105 446 446 LEU LEU A . n A 1 106 THR 106 447 447 THR THR A . n A 1 107 TRP 107 448 448 TRP TRP A . n A 1 108 ASN 108 449 449 ASN ASN A . n A 1 109 SER 109 450 450 SER SER A . n A 1 110 LEU 110 451 451 LEU LEU A . n A 1 111 LYS 111 452 452 LYS LYS A . n A 1 112 ASP 112 453 453 ASP ASP A . n A 1 113 LYS 113 454 454 LYS LYS A . n A 1 114 LYS 114 455 455 LYS LYS A . n A 1 115 SER 115 456 456 SER SER A . n A 1 116 CYS 116 457 457 CYS CYS A . n A 1 117 HIS 117 458 458 HIS HIS A . n A 1 118 THR 118 459 459 THR THR A . n A 1 119 ALA 119 460 460 ALA ALA A . n A 1 120 VAL 120 461 461 VAL VAL A . n A 1 121 ASP 121 462 462 ASP ASP A . n A 1 122 ARG 122 463 463 ARG ARG A . n A 1 123 THR 123 464 464 THR THR A . n A 1 124 ALA 124 465 465 ALA ALA A . n A 1 125 GLY 125 466 466 GLY GLY A . n A 1 126 TRP 126 467 467 TRP TRP A . n A 1 127 ASN 127 468 468 ASN ASN A . n A 1 128 ILE 128 469 469 ILE ILE A . n A 1 129 PRO 129 470 470 PRO PRO A . n A 1 130 MET 130 471 471 MET MET A . n A 1 131 GLY 131 472 472 GLY GLY A . n A 1 132 LEU 132 473 473 LEU LEU A . n A 1 133 ILE 133 474 474 ILE ILE A . n A 1 134 VAL 134 475 475 VAL VAL A . n A 1 135 ASN 135 476 476 ASN ASN A . n A 1 136 GLN 136 477 477 GLN GLN A . n A 1 137 THR 137 478 478 THR THR A . n A 1 138 GLY 138 479 479 GLY GLY A . n A 1 139 SER 139 480 480 SER SER A . n A 1 140 CYS 140 481 481 CYS CYS A . n A 1 141 ALA 141 482 482 ALA ALA A . n A 1 142 PHE 142 483 483 PHE PHE A . n A 1 143 ASP 143 484 484 ASP ASP A . n A 1 144 GLU 144 485 485 GLU GLU A . n A 1 145 PHE 145 486 486 PHE PHE A . n A 1 146 PHE 146 487 487 PHE PHE A . n A 1 147 SER 147 488 488 SER SER A . n A 1 148 GLN 148 489 489 GLN GLN A . n A 1 149 SER 149 490 490 SER SER A . n A 1 150 CYS 150 491 491 CYS CYS A . n A 1 151 ALA 151 492 492 ALA ALA A . n A 1 152 PRO 152 493 493 PRO PRO A . n A 1 153 GLY 153 494 494 GLY GLY A . n A 1 154 ALA 154 495 495 ALA ALA A . n A 1 155 ASP 155 496 496 ASP ASP A . n A 1 156 PRO 156 497 497 PRO PRO A . n A 1 157 LYS 157 498 498 LYS LYS A . n A 1 158 SER 158 499 499 SER SER A . n A 1 159 ARG 159 500 500 ARG ARG A . n A 1 160 LEU 160 501 501 LEU LEU A . n A 1 161 CYS 161 502 502 CYS CYS A . n A 1 162 ALA 162 503 503 ALA ALA A . n A 1 163 LEU 163 504 504 LEU LEU A . n A 1 164 CYS 164 505 505 CYS CYS A . n A 1 165 ALA 165 506 506 ALA ALA A . n A 1 166 GLY 166 507 507 GLY GLY A . n A 1 167 ASP 167 508 508 ASP ASP A . n A 1 168 ASP 168 509 509 ASP ASP A . n A 1 169 GLN 169 510 510 GLN GLN A . n A 1 170 GLY 170 511 511 GLY GLY A . n A 1 171 LEU 171 512 512 LEU LEU A . n A 1 172 ASP 172 513 513 ASP ASP A . n A 1 173 LYS 173 514 514 LYS LYS A . n A 1 174 CYS 174 515 515 CYS CYS A . n A 1 175 VAL 175 516 516 VAL VAL A . n A 1 176 PRO 176 517 517 PRO PRO A . n A 1 177 ASN 177 518 518 ASN ASN A . n A 1 178 SER 178 519 519 SER SER A . n A 1 179 LYS 179 520 520 LYS LYS A . n A 1 180 GLU 180 521 521 GLU GLU A . n A 1 181 LYS 181 522 522 LYS LYS A . n A 1 182 TYR 182 523 523 TYR TYR A . n A 1 183 TYR 183 524 524 TYR TYR A . n A 1 184 GLY 184 525 525 GLY GLY A . n A 1 185 TYR 185 526 526 TYR TYR A . n A 1 186 THR 186 527 527 THR THR A . n A 1 187 GLY 187 528 528 GLY GLY A . n A 1 188 ALA 188 529 529 ALA ALA A . n A 1 189 PHE 189 530 530 PHE PHE A . n A 1 190 ARG 190 531 531 ARG ARG A . n A 1 191 CYS 191 532 532 CYS CYS A . n A 1 192 LEU 192 533 533 LEU LEU A . n A 1 193 ALA 193 534 534 ALA ALA A . n A 1 194 GLU 194 535 535 GLU GLU A . n A 1 195 ASP 195 536 536 ASP ASP A . n A 1 196 VAL 196 537 537 VAL VAL A . n A 1 197 GLY 197 538 538 GLY GLY A . n A 1 198 ASP 198 539 539 ASP ASP A . n A 1 199 VAL 199 540 540 VAL VAL A . n A 1 200 ALA 200 541 541 ALA ALA A . n A 1 201 PHE 201 542 542 PHE PHE A . n A 1 202 VAL 202 543 543 VAL VAL A . n A 1 203 LYS 203 544 544 LYS LYS A . n A 1 204 ASN 204 545 545 ASN ASN A . n A 1 205 ASP 205 546 546 ASP ASP A . n A 1 206 THR 206 547 547 THR THR A . n A 1 207 VAL 207 548 548 VAL VAL A . n A 1 208 TRP 208 549 549 TRP TRP A . n A 1 209 GLU 209 550 550 GLU GLU A . n A 1 210 ASN 210 551 551 ASN ASN A . n A 1 211 THR 211 552 552 THR THR A . n A 1 212 ASN 212 553 553 ASN ASN A . n A 1 213 GLY 213 554 554 GLY GLY A . n A 1 214 GLU 214 555 555 GLU GLU A . n A 1 215 SER 215 556 556 SER SER A . n A 1 216 THR 216 557 557 THR THR A . n A 1 217 ALA 217 558 558 ALA ALA A . n A 1 218 ASP 218 559 559 ASP ASP A . n A 1 219 TRP 219 560 560 TRP TRP A . n A 1 220 ALA 220 561 561 ALA ALA A . n A 1 221 LYS 221 562 562 LYS LYS A . n A 1 222 ASN 222 563 563 ASN ASN A . n A 1 223 LEU 223 564 564 LEU LEU A . n A 1 224 LYS 224 565 565 LYS LYS A . n A 1 225 ARG 225 566 566 ARG ARG A . n A 1 226 GLU 226 567 567 GLU GLU A . n A 1 227 ASP 227 568 568 ASP ASP A . n A 1 228 PHE 228 569 569 PHE PHE A . n A 1 229 ARG 229 570 570 ARG ARG A . n A 1 230 LEU 230 571 571 LEU LEU A . n A 1 231 LEU 231 572 572 LEU LEU A . n A 1 232 CYS 232 573 573 CYS CYS A . n A 1 233 LEU 233 574 574 LEU LEU A . n A 1 234 ASP 234 575 575 ASP ASP A . n A 1 235 GLY 235 576 576 GLY GLY A . n A 1 236 THR 236 577 577 THR THR A . n A 1 237 ARG 237 578 578 ARG ARG A . n A 1 238 LYS 238 579 579 LYS LYS A . n A 1 239 PRO 239 580 580 PRO PRO A . n A 1 240 VAL 240 581 581 VAL VAL A . n A 1 241 THR 241 582 582 THR THR A . n A 1 242 GLU 242 583 583 GLU GLU A . n A 1 243 ALA 243 584 584 ALA ALA A . n A 1 244 GLN 244 585 585 GLN GLN A . n A 1 245 SER 245 586 586 SER SER A . n A 1 246 CYS 246 587 587 CYS CYS A . n A 1 247 HIS 247 588 588 HIS HIS A . n A 1 248 LEU 248 589 589 LEU LEU A . n A 1 249 ALA 249 590 590 ALA ALA A . n A 1 250 VAL 250 591 591 VAL VAL A . n A 1 251 ALA 251 592 592 ALA ALA A . n A 1 252 PRO 252 593 593 PRO PRO A . n A 1 253 ASN 253 594 594 ASN ASN A . n A 1 254 HIS 254 595 595 HIS HIS A . n A 1 255 ALA 255 596 596 ALA ALA A . n A 1 256 VAL 256 597 597 VAL VAL A . n A 1 257 VAL 257 598 598 VAL VAL A . n A 1 258 SER 258 599 599 SER SER A . n A 1 259 ARG 259 600 600 ARG ARG A . n A 1 260 SER 260 601 601 SER SER A . n A 1 261 ASP 261 602 602 ASP ASP A . n A 1 262 ARG 262 603 603 ARG ARG A . n A 1 263 ALA 263 604 604 ALA ALA A . n A 1 264 ALA 264 605 605 ALA ALA A . n A 1 265 HIS 265 606 606 HIS HIS A . n A 1 266 VAL 266 607 607 VAL VAL A . n A 1 267 GLU 267 608 608 GLU GLU A . n A 1 268 GLN 268 609 609 GLN GLN A . n A 1 269 VAL 269 610 610 VAL VAL A . n A 1 270 LEU 270 611 611 LEU LEU A . n A 1 271 LEU 271 612 612 LEU LEU A . n A 1 272 HIS 272 613 613 HIS HIS A . n A 1 273 GLN 273 614 614 GLN GLN A . n A 1 274 GLN 274 615 615 GLN GLN A . n A 1 275 ALA 275 616 616 ALA ALA A . n A 1 276 LEU 276 617 617 LEU LEU A . n A 1 277 PHE 277 618 618 PHE PHE A . n A 1 278 GLY 278 619 619 GLY GLY A . n A 1 279 LYS 279 620 620 LYS LYS A . n A 1 280 ASN 280 621 621 ASN ASN A . n A 1 281 GLY 281 622 622 GLY GLY A . n A 1 282 LYS 282 623 623 LYS LYS A . n A 1 283 ASN 283 624 624 ASN ASN A . n A 1 284 CYS 284 625 625 CYS CYS A . n A 1 285 PRO 285 626 626 PRO PRO A . n A 1 286 ASP 286 627 627 ASP ASP A . n A 1 287 LYS 287 628 628 LYS LYS A . n A 1 288 PHE 288 629 629 PHE PHE A . n A 1 289 CYS 289 630 630 CYS CYS A . n A 1 290 LEU 290 631 631 LEU LEU A . n A 1 291 PHE 291 632 632 PHE PHE A . n A 1 292 LYS 292 633 633 LYS LYS A . n A 1 293 SER 293 634 634 SER SER A . n A 1 294 GLU 294 635 635 GLU GLU A . n A 1 295 THR 295 636 636 THR THR A . n A 1 296 LYS 296 637 637 LYS LYS A . n A 1 297 ASN 297 638 638 ASN ASN A . n A 1 298 LEU 298 639 639 LEU LEU A . n A 1 299 LEU 299 640 640 LEU LEU A . n A 1 300 PHE 300 641 641 PHE PHE A . n A 1 301 ASN 301 642 642 ASN ASN A . n A 1 302 ASP 302 643 643 ASP ASP A . n A 1 303 ASN 303 644 644 ASN ASN A . n A 1 304 THR 304 645 645 THR THR A . n A 1 305 GLU 305 646 646 GLU GLU A . n A 1 306 CYS 306 647 647 CYS CYS A . n A 1 307 LEU 307 648 648 LEU LEU A . n A 1 308 ALA 308 649 649 ALA ALA A . n A 1 309 LYS 309 650 650 LYS LYS A . n A 1 310 LEU 310 651 651 LEU LEU A . n A 1 311 GLY 311 652 652 GLY GLY A . n A 1 312 GLY 312 653 653 GLY GLY A . n A 1 313 ARG 313 654 654 ARG ARG A . n A 1 314 PRO 314 655 655 PRO PRO A . n A 1 315 THR 315 656 656 THR THR A . n A 1 316 TYR 316 657 657 TYR TYR A . n A 1 317 GLU 317 658 658 GLU GLU A . n A 1 318 GLU 318 659 659 GLU GLU A . n A 1 319 TYR 319 660 660 TYR TYR A . n A 1 320 LEU 320 661 661 LEU LEU A . n A 1 321 GLY 321 662 662 GLY GLY A . n A 1 322 THR 322 663 663 THR THR A . n A 1 323 GLU 323 664 664 GLU GLU A . n A 1 324 TYR 324 665 665 TYR TYR A . n A 1 325 VAL 325 666 666 VAL VAL A . n A 1 326 THR 326 667 667 THR THR A . n A 1 327 ALA 327 668 668 ALA ALA A . n A 1 328 ILE 328 669 669 ILE ILE A . n A 1 329 ALA 329 670 670 ALA ALA A . n A 1 330 ASN 330 671 671 ASN ASN A . n A 1 331 LEU 331 672 672 LEU LEU A . n A 1 332 LYS 332 673 673 LYS LYS A . n A 1 333 LYS 333 674 674 LYS LYS A . n A 1 334 CYS 334 675 675 CYS CYS A . n A 1 335 SER 335 676 676 SER SER A . n A 1 336 THR 336 677 ? ? ? A . n A 1 337 SER 337 678 ? ? ? A . n A 1 338 PRO 338 679 ? ? ? A . n A 1 339 LEU 339 680 ? ? ? A . n A 1 340 LEU 340 681 681 LEU LEU A . n A 1 341 GLU 341 682 682 GLU GLU A . n A 1 342 ALA 342 683 683 ALA ALA A . n A 1 343 CYS 343 684 684 CYS CYS A . n A 1 344 ALA 344 685 685 ALA ALA A . n A 1 345 PHE 345 686 686 PHE PHE A . n # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 A ASN 27 A ASN 368 ? ASN 'GLYCOSYLATION SITE' 2 A ASN 135 A ASN 476 ? ASN 'GLYCOSYLATION SITE' 3 A ASN 204 A ASN 545 ? ASN 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,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 ? K FE . ? A FE 687 ? 1_555 OH ? A TYR 92 ? A TYR 433 ? 1_555 82.2 ? 2 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? K FE . ? A FE 687 ? 1_555 OH ? A TYR 185 ? A TYR 526 ? 1_555 164.9 ? 3 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? K FE . ? A FE 687 ? 1_555 OH ? A TYR 185 ? A TYR 526 ? 1_555 90.7 ? 4 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? K FE . ? A FE 687 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 77.7 ? 5 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? K FE . ? A FE 687 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 95.6 ? 6 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? K FE . ? A FE 687 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 89.8 ? 7 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? K FE . ? A FE 687 ? 1_555 O2 ? L CO3 . ? A CO3 688 ? 1_555 94.5 ? 8 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? K FE . ? A FE 687 ? 1_555 O2 ? L CO3 . ? A CO3 688 ? 1_555 87.2 ? 9 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? K FE . ? A FE 687 ? 1_555 O2 ? L CO3 . ? A CO3 688 ? 1_555 98.5 ? 10 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 FE ? K FE . ? A FE 687 ? 1_555 O2 ? L CO3 . ? A CO3 688 ? 1_555 171.3 ? 11 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? K FE . ? A FE 687 ? 1_555 O1 ? L CO3 . ? A CO3 688 ? 1_555 88.8 ? 12 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? K FE . ? A FE 687 ? 1_555 O1 ? L CO3 . ? A CO3 688 ? 1_555 143.9 ? 13 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? K FE . ? A FE 687 ? 1_555 O1 ? L CO3 . ? A CO3 688 ? 1_555 104.5 ? 14 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 FE ? K FE . ? A FE 687 ? 1_555 O1 ? L CO3 . ? A CO3 688 ? 1_555 116.5 ? 15 O2 ? L CO3 . ? A CO3 688 ? 1_555 FE ? K FE . ? A FE 687 ? 1_555 O1 ? L CO3 . ? A CO3 688 ? 1_555 58.6 ? # 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 2008-09-23 2 'Structure model' 1 1 2011-07-13 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # 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' 'Non-polymer description' 2 2 'Structure model' 'Version format compliance' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal DENZO 'data reduction' . ? 1 MOLREP phasing . ? 2 CNS refinement . ? 3 AUTOMAR 'data reduction' . ? 4 SCALEPACK 'data scaling' . ? 5 # _pdbx_entry_details.sequence_details ;THERE ARE CONFLICTS BETWEEN SEQRES(LYS A 565, GLU A 608) AND SEQUENCE DATABASE (ASN, LYS). THE AUTHORS BELIEVE THAT THE SEQRES IS CORRECT AND IS THE TRUE IDENTITY OF THESE RESIDUES AND IS NATURAL MUTANT. ; _pdbx_entry_details.entry_id 3E9X _pdbx_entry_details.compound_details ? _pdbx_entry_details.source_details ? _pdbx_entry_details.nonpolymer_details ? # _pdbx_validate_rmsd_angle.id 1 _pdbx_validate_rmsd_angle.PDB_model_num 1 _pdbx_validate_rmsd_angle.auth_atom_id_1 C _pdbx_validate_rmsd_angle.auth_asym_id_1 A _pdbx_validate_rmsd_angle.auth_comp_id_1 ARG _pdbx_validate_rmsd_angle.auth_seq_id_1 654 _pdbx_validate_rmsd_angle.PDB_ins_code_1 ? _pdbx_validate_rmsd_angle.label_alt_id_1 ? _pdbx_validate_rmsd_angle.auth_atom_id_2 N _pdbx_validate_rmsd_angle.auth_asym_id_2 A _pdbx_validate_rmsd_angle.auth_comp_id_2 PRO _pdbx_validate_rmsd_angle.auth_seq_id_2 655 _pdbx_validate_rmsd_angle.PDB_ins_code_2 ? _pdbx_validate_rmsd_angle.label_alt_id_2 ? _pdbx_validate_rmsd_angle.auth_atom_id_3 CA _pdbx_validate_rmsd_angle.auth_asym_id_3 A _pdbx_validate_rmsd_angle.auth_comp_id_3 PRO _pdbx_validate_rmsd_angle.auth_seq_id_3 655 _pdbx_validate_rmsd_angle.PDB_ins_code_3 ? _pdbx_validate_rmsd_angle.label_alt_id_3 ? _pdbx_validate_rmsd_angle.angle_value 130.06 _pdbx_validate_rmsd_angle.angle_target_value 119.30 _pdbx_validate_rmsd_angle.angle_deviation 10.76 _pdbx_validate_rmsd_angle.angle_standard_deviation 1.50 _pdbx_validate_rmsd_angle.linker_flag Y # 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 LEU A 392 ? ? -171.55 149.73 2 1 SER A 418 ? ? -134.46 -44.73 3 1 ALA A 460 ? ? 175.40 143.66 4 1 TRP A 467 ? ? -128.72 -73.75 5 1 ALA A 482 ? ? -75.78 45.83 6 1 LEU A 501 ? ? -54.58 -7.67 7 1 ASP A 509 ? ? -59.30 -3.24 8 1 SER A 519 ? ? -48.83 0.99 9 1 TYR A 523 ? ? -104.21 41.85 10 1 VAL A 543 ? ? -135.67 -155.90 11 1 VAL A 581 ? ? -68.26 9.19 12 1 CYS A 587 ? ? -154.67 67.29 13 1 ALA A 590 ? ? 177.11 165.93 14 1 GLU A 635 ? ? 75.90 70.31 15 1 THR A 636 ? ? 55.98 14.18 16 1 LEU A 640 ? ? 68.98 -45.15 17 1 LEU A 651 ? ? -79.41 -72.42 18 1 ARG A 654 ? ? 28.97 64.02 19 1 ALA A 683 ? ? 165.93 136.77 20 1 ALA A 685 ? ? -64.32 7.35 # _pdbx_validate_chiral.id 1 _pdbx_validate_chiral.PDB_model_num 1 _pdbx_validate_chiral.auth_atom_id C1 _pdbx_validate_chiral.label_alt_id ? _pdbx_validate_chiral.auth_asym_id A _pdbx_validate_chiral.auth_comp_id MAN _pdbx_validate_chiral.auth_seq_id 9 _pdbx_validate_chiral.PDB_ins_code ? _pdbx_validate_chiral.details 'WRONG HAND' _pdbx_validate_chiral.omega . # 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 4-NITRO-2-PHENOXYMETHANESULFONANILIDE NIM 3 N-ACETYL-D-GLUCOSAMINE NAG 4 ALPHA-D-MANNOSE MAN 5 'FE (III) ION' FE 6 'CARBONATE ION' CO3 7 'ZINC ION' ZN 8 'SULFATE ION' SO4 9 water HOH # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 NIM 1 1 1 NIM NIM A . C 3 NAG 1 2 2 NAG NAG A . D 3 NAG 2 3 3 NAG NAG A . E 3 NAG 1 4 4 NAG NAG A . F 3 NAG 2 5 5 NAG NAG A . G 4 MAN 3 6 6 MAN MAN A . H 3 NAG 1 7 7 NAG NAG A . I 3 NAG 2 8 8 NAG NAG A . J 4 MAN 3 9 9 MAN MAN A . K 5 FE 1 687 1 FE FE A . L 6 CO3 1 688 2 CO3 CO3 A . M 7 ZN 1 689 3 ZN ZN A . N 7 ZN 1 690 4 ZN ZN A . O 8 SO4 1 691 5 SO4 SO4 A . P 9 HOH 1 692 1 HOH HOH A . P 9 HOH 2 693 2 HOH HOH A . P 9 HOH 3 694 3 HOH HOH A . P 9 HOH 4 695 4 HOH HOH A . P 9 HOH 5 696 5 HOH HOH A . P 9 HOH 6 697 6 HOH HOH A . P 9 HOH 7 698 7 HOH HOH A . P 9 HOH 8 699 8 HOH HOH A . P 9 HOH 9 700 9 HOH HOH A . P 9 HOH 10 701 10 HOH HOH A . P 9 HOH 11 702 11 HOH HOH A . P 9 HOH 12 703 12 HOH HOH A . P 9 HOH 13 704 13 HOH HOH A . P 9 HOH 14 705 14 HOH HOH A . P 9 HOH 15 706 15 HOH HOH A . P 9 HOH 16 707 16 HOH HOH A . P 9 HOH 17 708 17 HOH HOH A . P 9 HOH 18 709 18 HOH HOH A . P 9 HOH 19 710 19 HOH HOH A . P 9 HOH 20 711 20 HOH HOH A . P 9 HOH 21 712 21 HOH HOH A . P 9 HOH 22 713 22 HOH HOH A . P 9 HOH 23 714 23 HOH HOH A . P 9 HOH 24 715 24 HOH HOH A . P 9 HOH 25 716 25 HOH HOH A . P 9 HOH 26 717 26 HOH HOH A . P 9 HOH 27 718 27 HOH HOH A . P 9 HOH 28 719 28 HOH HOH A . P 9 HOH 29 720 29 HOH HOH A . P 9 HOH 30 721 30 HOH HOH A . P 9 HOH 31 722 31 HOH HOH A . P 9 HOH 32 723 32 HOH HOH A . P 9 HOH 33 724 33 HOH HOH A . P 9 HOH 34 725 35 HOH HOH A . P 9 HOH 35 726 36 HOH HOH A . P 9 HOH 36 727 37 HOH HOH A . P 9 HOH 37 728 38 HOH HOH A . P 9 HOH 38 729 39 HOH HOH A . P 9 HOH 39 730 40 HOH HOH A . P 9 HOH 40 731 41 HOH HOH A . P 9 HOH 41 732 42 HOH HOH A . P 9 HOH 42 733 43 HOH HOH A . P 9 HOH 43 734 44 HOH HOH A . P 9 HOH 44 735 45 HOH HOH A . P 9 HOH 45 736 46 HOH HOH A . P 9 HOH 46 737 47 HOH HOH A . P 9 HOH 47 738 48 HOH HOH A . P 9 HOH 48 739 49 HOH HOH A . P 9 HOH 49 740 50 HOH HOH A . P 9 HOH 50 741 51 HOH HOH A . P 9 HOH 51 742 52 HOH HOH A . P 9 HOH 52 743 53 HOH HOH A . P 9 HOH 53 744 54 HOH HOH A . P 9 HOH 54 745 55 HOH HOH A . P 9 HOH 55 746 56 HOH HOH A . P 9 HOH 56 747 57 HOH HOH A . P 9 HOH 57 748 58 HOH HOH A . P 9 HOH 58 749 59 HOH HOH A . P 9 HOH 59 750 60 HOH HOH A . P 9 HOH 60 751 61 HOH HOH A . P 9 HOH 61 752 62 HOH HOH A . P 9 HOH 62 753 63 HOH HOH A . P 9 HOH 63 754 64 HOH HOH A . P 9 HOH 64 755 65 HOH HOH A . P 9 HOH 65 756 66 HOH HOH A . P 9 HOH 66 757 67 HOH HOH A . P 9 HOH 67 758 68 HOH HOH A . P 9 HOH 68 759 69 HOH HOH A . P 9 HOH 69 760 70 HOH HOH A . P 9 HOH 70 761 71 HOH HOH A . P 9 HOH 71 762 72 HOH HOH A . P 9 HOH 72 763 73 HOH HOH A . P 9 HOH 73 764 74 HOH HOH A . P 9 HOH 74 765 75 HOH HOH A . P 9 HOH 75 766 76 HOH HOH A . P 9 HOH 76 767 77 HOH HOH A . P 9 HOH 77 768 79 HOH HOH A . P 9 HOH 78 769 80 HOH HOH A . P 9 HOH 79 770 81 HOH HOH A . P 9 HOH 80 771 82 HOH HOH A . P 9 HOH 81 772 84 HOH HOH A . P 9 HOH 82 773 85 HOH HOH A . P 9 HOH 83 774 87 HOH HOH A . P 9 HOH 84 775 90 HOH HOH A . P 9 HOH 85 776 92 HOH HOH A . P 9 HOH 86 777 93 HOH HOH A . P 9 HOH 87 778 94 HOH HOH A . P 9 HOH 88 779 95 HOH HOH A . P 9 HOH 89 780 96 HOH HOH A . P 9 HOH 90 781 97 HOH HOH A . P 9 HOH 91 782 99 HOH HOH A . P 9 HOH 92 783 101 HOH HOH A . P 9 HOH 93 784 102 HOH HOH A . P 9 HOH 94 785 103 HOH HOH A . P 9 HOH 95 786 105 HOH HOH A . P 9 HOH 96 787 106 HOH HOH A . P 9 HOH 97 788 107 HOH HOH A . P 9 HOH 98 789 108 HOH HOH A . P 9 HOH 99 790 110 HOH HOH A . P 9 HOH 100 791 111 HOH HOH A . P 9 HOH 101 792 112 HOH HOH A . P 9 HOH 102 793 113 HOH HOH A . P 9 HOH 103 794 114 HOH HOH A . P 9 HOH 104 795 117 HOH HOH A . P 9 HOH 105 796 118 HOH HOH A . P 9 HOH 106 797 119 HOH HOH A . P 9 HOH 107 798 120 HOH HOH A . P 9 HOH 108 799 122 HOH HOH A . P 9 HOH 109 800 124 HOH HOH A . P 9 HOH 110 801 125 HOH HOH A . P 9 HOH 111 802 126 HOH HOH A . P 9 HOH 112 803 131 HOH HOH A . P 9 HOH 113 804 132 HOH HOH A . P 9 HOH 114 805 135 HOH HOH A . P 9 HOH 115 806 136 HOH HOH A . P 9 HOH 116 807 138 HOH HOH A . P 9 HOH 117 808 139 HOH HOH A . P 9 HOH 118 809 141 HOH HOH A . P 9 HOH 119 810 142 HOH HOH A . #