data_2PX1 # _entry.id 2PX1 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.279 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 2PX1 RCSB RCSB042872 WWPDB D_1000042872 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 2O51 . unspecified PDB 2G93 . unspecified PDB 1NKX . unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 2PX1 _pdbx_database_status.recvd_initial_deposition_date 2007-05-14 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _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 'Vikram, G.' 2 'Sinha, M.' 3 'Sharma, S.' 4 'Kaur, P.' 5 'Singh, T.P.' 6 # _citation.id primary _citation.title 'crystal structure of the complex of bovine lactoferrin C-lobe with Ribose at 2.5 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 'Vikram, G.' 2 primary 'Sinha, M.' 3 primary 'Singh, N.' 4 primary 'Sharma, S.' 5 primary 'Kaur, P.' 6 primary 'Perbandt, M.' 7 primary 'Betzel, C.' 8 primary 'Singh, T.P.' 9 # _cell.entry_id 2PX1 _cell.length_a 59.906 _cell.length_b 49.631 _cell.length_c 64.705 _cell.angle_alpha 90.00 _cell.angle_beta 105.88 _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 2PX1 _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.- ? 'Residues 361-705' ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 5 ? ? ? ? 3 non-polymer man BETA-D-MANNOSE 180.156 3 ? ? ? ? 4 non-polymer man '2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE' 221.208 1 ? ? ? ? 5 non-polymer syn 'RIBOSE(PYRANOSE FORM)' 150.130 2 ? ? ? ? 6 non-polymer syn 'FE (III) ION' 55.845 1 ? ? ? ? 7 non-polymer syn 'CARBONATE ION' 60.009 1 ? ? ? ? 8 non-polymer syn 'ZINC ION' 65.409 2 ? ? ? ? 9 non-polymer syn 'SULFATE ION' 96.063 1 ? ? ? ? 10 water nat water 18.015 165 ? ? ? ? # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no _entity_poly.pdbx_seq_one_letter_code ;YTRVVWCAVGPEEQKKCQQWSQQSGQNVTCATASTTDDCIVLVLKGEADALNLDGGYIYTAGKCGLVPVLAENRKSSKHS SLDCVLRPTEGYLAVAVVKKANEGLTWNSLKDKKSCHTAVDRTAGWNIPMGLIVNQTGSCAFDEFFSQSCAPGADPKSRL CALCAGDDQGLDKCVPNSKEKYYGYTGAFRCLAEDVGDVAFVKNDTVWENTNGESTADWAKNLKREDFRLLCLDGTRKPV TEAQSCHLAVAPNHAVVSRSDRAAHVEQVLLHQQALFGKNGKNCPDKFCLFKSETKNLLFNDNTECLAKLGGRPTYEEYL GTEYVTAIANLKKCSTSPLLEACAF ; _entity_poly.pdbx_seq_one_letter_code_can ;YTRVVWCAVGPEEQKKCQQWSQQSGQNVTCATASTTDDCIVLVLKGEADALNLDGGYIYTAGKCGLVPVLAENRKSSKHS SLDCVLRPTEGYLAVAVVKKANEGLTWNSLKDKKSCHTAVDRTAGWNIPMGLIVNQTGSCAFDEFFSQSCAPGADPKSRL CALCAGDDQGLDKCVPNSKEKYYGYTGAFRCLAEDVGDVAFVKNDTVWENTNGESTADWAKNLKREDFRLLCLDGTRKPV TEAQSCHLAVAPNHAVVSRSDRAAHVEQVLLHQQALFGKNGKNCPDKFCLFKSETKNLLFNDNTECLAKLGGRPTYEEYL GTEYVTAIANLKKCSTSPLLEACAF ; _entity_poly.pdbx_strand_id A _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 TYR n 1 2 THR n 1 3 ARG n 1 4 VAL n 1 5 VAL n 1 6 TRP n 1 7 CYS n 1 8 ALA n 1 9 VAL n 1 10 GLY n 1 11 PRO n 1 12 GLU n 1 13 GLU n 1 14 GLN n 1 15 LYS n 1 16 LYS n 1 17 CYS n 1 18 GLN n 1 19 GLN n 1 20 TRP n 1 21 SER n 1 22 GLN n 1 23 GLN n 1 24 SER n 1 25 GLY n 1 26 GLN n 1 27 ASN n 1 28 VAL n 1 29 THR n 1 30 CYS n 1 31 ALA n 1 32 THR n 1 33 ALA n 1 34 SER n 1 35 THR n 1 36 THR n 1 37 ASP n 1 38 ASP n 1 39 CYS n 1 40 ILE n 1 41 VAL n 1 42 LEU n 1 43 VAL n 1 44 LEU n 1 45 LYS n 1 46 GLY n 1 47 GLU n 1 48 ALA n 1 49 ASP n 1 50 ALA n 1 51 LEU n 1 52 ASN n 1 53 LEU n 1 54 ASP n 1 55 GLY n 1 56 GLY n 1 57 TYR n 1 58 ILE n 1 59 TYR n 1 60 THR n 1 61 ALA n 1 62 GLY n 1 63 LYS n 1 64 CYS n 1 65 GLY n 1 66 LEU n 1 67 VAL n 1 68 PRO n 1 69 VAL n 1 70 LEU n 1 71 ALA n 1 72 GLU n 1 73 ASN n 1 74 ARG n 1 75 LYS n 1 76 SER n 1 77 SER n 1 78 LYS n 1 79 HIS n 1 80 SER n 1 81 SER n 1 82 LEU n 1 83 ASP n 1 84 CYS n 1 85 VAL n 1 86 LEU n 1 87 ARG n 1 88 PRO n 1 89 THR n 1 90 GLU n 1 91 GLY n 1 92 TYR n 1 93 LEU n 1 94 ALA n 1 95 VAL n 1 96 ALA n 1 97 VAL n 1 98 VAL n 1 99 LYS n 1 100 LYS n 1 101 ALA n 1 102 ASN n 1 103 GLU n 1 104 GLY n 1 105 LEU n 1 106 THR n 1 107 TRP n 1 108 ASN n 1 109 SER n 1 110 LEU n 1 111 LYS n 1 112 ASP n 1 113 LYS n 1 114 LYS n 1 115 SER n 1 116 CYS n 1 117 HIS n 1 118 THR n 1 119 ALA n 1 120 VAL n 1 121 ASP n 1 122 ARG n 1 123 THR n 1 124 ALA n 1 125 GLY n 1 126 TRP n 1 127 ASN n 1 128 ILE n 1 129 PRO n 1 130 MET n 1 131 GLY n 1 132 LEU n 1 133 ILE n 1 134 VAL n 1 135 ASN n 1 136 GLN n 1 137 THR n 1 138 GLY n 1 139 SER n 1 140 CYS n 1 141 ALA n 1 142 PHE n 1 143 ASP n 1 144 GLU n 1 145 PHE n 1 146 PHE n 1 147 SER n 1 148 GLN n 1 149 SER n 1 150 CYS n 1 151 ALA n 1 152 PRO n 1 153 GLY n 1 154 ALA n 1 155 ASP n 1 156 PRO n 1 157 LYS n 1 158 SER n 1 159 ARG n 1 160 LEU n 1 161 CYS n 1 162 ALA n 1 163 LEU n 1 164 CYS n 1 165 ALA n 1 166 GLY n 1 167 ASP n 1 168 ASP n 1 169 GLN n 1 170 GLY n 1 171 LEU n 1 172 ASP n 1 173 LYS n 1 174 CYS n 1 175 VAL n 1 176 PRO n 1 177 ASN n 1 178 SER n 1 179 LYS n 1 180 GLU n 1 181 LYS n 1 182 TYR n 1 183 TYR n 1 184 GLY n 1 185 TYR n 1 186 THR n 1 187 GLY n 1 188 ALA n 1 189 PHE n 1 190 ARG n 1 191 CYS n 1 192 LEU n 1 193 ALA n 1 194 GLU n 1 195 ASP n 1 196 VAL n 1 197 GLY n 1 198 ASP n 1 199 VAL n 1 200 ALA n 1 201 PHE n 1 202 VAL n 1 203 LYS n 1 204 ASN n 1 205 ASP n 1 206 THR n 1 207 VAL n 1 208 TRP n 1 209 GLU n 1 210 ASN n 1 211 THR n 1 212 ASN n 1 213 GLY n 1 214 GLU n 1 215 SER n 1 216 THR n 1 217 ALA n 1 218 ASP n 1 219 TRP n 1 220 ALA n 1 221 LYS n 1 222 ASN n 1 223 LEU n 1 224 LYS n 1 225 ARG n 1 226 GLU n 1 227 ASP n 1 228 PHE n 1 229 ARG n 1 230 LEU n 1 231 LEU n 1 232 CYS n 1 233 LEU n 1 234 ASP n 1 235 GLY n 1 236 THR n 1 237 ARG n 1 238 LYS n 1 239 PRO n 1 240 VAL n 1 241 THR n 1 242 GLU n 1 243 ALA n 1 244 GLN n 1 245 SER n 1 246 CYS n 1 247 HIS n 1 248 LEU n 1 249 ALA n 1 250 VAL n 1 251 ALA n 1 252 PRO n 1 253 ASN n 1 254 HIS n 1 255 ALA n 1 256 VAL n 1 257 VAL n 1 258 SER n 1 259 ARG n 1 260 SER n 1 261 ASP n 1 262 ARG n 1 263 ALA n 1 264 ALA n 1 265 HIS n 1 266 VAL n 1 267 GLU n 1 268 GLN n 1 269 VAL n 1 270 LEU n 1 271 LEU n 1 272 HIS n 1 273 GLN n 1 274 GLN n 1 275 ALA n 1 276 LEU n 1 277 PHE n 1 278 GLY n 1 279 LYS n 1 280 ASN n 1 281 GLY n 1 282 LYS n 1 283 ASN n 1 284 CYS n 1 285 PRO n 1 286 ASP n 1 287 LYS n 1 288 PHE n 1 289 CYS n 1 290 LEU n 1 291 PHE n 1 292 LYS n 1 293 SER n 1 294 GLU n 1 295 THR n 1 296 LYS n 1 297 ASN n 1 298 LEU n 1 299 LEU n 1 300 PHE n 1 301 ASN n 1 302 ASP n 1 303 ASN n 1 304 THR n 1 305 GLU n 1 306 CYS n 1 307 LEU n 1 308 ALA n 1 309 LYS n 1 310 LEU n 1 311 GLY n 1 312 GLY n 1 313 ARG n 1 314 PRO n 1 315 THR n 1 316 TYR n 1 317 GLU n 1 318 GLU n 1 319 TYR n 1 320 LEU n 1 321 GLY n 1 322 THR n 1 323 GLU n 1 324 TYR n 1 325 VAL n 1 326 THR n 1 327 ALA n 1 328 ILE n 1 329 ALA n 1 330 ASN n 1 331 LEU n 1 332 LYS n 1 333 LYS n 1 334 CYS n 1 335 SER n 1 336 THR n 1 337 SER n 1 338 PRO n 1 339 LEU n 1 340 LEU n 1 341 GLU n 1 342 ALA n 1 343 CYS n 1 344 ALA n 1 345 PHE n # _entity_src_nat.entity_id 1 _entity_src_nat.pdbx_src_id 1 _entity_src_nat.pdbx_alt_source_flag sample _entity_src_nat.pdbx_beg_seq_num ? _entity_src_nat.pdbx_end_seq_num ? _entity_src_nat.common_name cattle _entity_src_nat.pdbx_organism_scientific 'Bos taurus' _entity_src_nat.pdbx_ncbi_taxonomy_id 9913 _entity_src_nat.genus Bos _entity_src_nat.species ? _entity_src_nat.strain Milk _entity_src_nat.tissue ? _entity_src_nat.tissue_fraction ? _entity_src_nat.pdbx_secretion ? _entity_src_nat.pdbx_fragment ? _entity_src_nat.pdbx_variant ? _entity_src_nat.pdbx_cell_line ? _entity_src_nat.pdbx_atcc ? _entity_src_nat.pdbx_cellular_location ? _entity_src_nat.pdbx_organ ? _entity_src_nat.pdbx_organelle ? _entity_src_nat.pdbx_cell ? _entity_src_nat.pdbx_plasmid_name ? _entity_src_nat.pdbx_plasmid_details ? _entity_src_nat.details ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code TRFL_BOVIN _struct_ref.pdbx_db_accession P24627 _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;YTRVVWCAVGPEEQKKCQQWSQQSGQNVTCATASTTDDCIVLVLKGEADALNLDGGYIYTAGKCGLVPVLAENRKSSKHS SLDCVLRPTEGYLAVAVVKKANEGLTWNSLKDKKSCHTAVDRTAGWNIPMGLIVNQTGSCAFDEFFSQSCAPGADPKSRL CALCAGDDQGLDKCVPNSKEKYYGYTGAFRCLAEDVGDVAFVKNDTVWENTNGESTADWAKNLNREDFRLLCLDGTRKPV TEAQSCHLAVAPNHAVVSRSDRAAHVKQVLLHQQALFGKNGKNCPDKFCLFKSETKNLLFNDNTECLAKLGGRPTYEEYL GTEYVTAIANLKKCSTSPLLEACAF ; _struct_ref.pdbx_align_begin 361 _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 2PX1 _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 2PX1 LYS A 224 ? UNP P24627 ASN 584 'SEE REMARK 999' 565 1 1 2PX1 GLU A 267 ? UNP P24627 LYS 627 'SEE REMARK 999' 608 2 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 BMA D-saccharide . BETA-D-MANNOSE ? 'C6 H12 O6' 180.156 CO3 non-polymer . 'CARBONATE ION' ? 'C O3 -2' 60.009 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 FE non-polymer . 'FE (III) ION' ? 'Fe 3' 55.845 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 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 NDG D-saccharide . '2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE' ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 RIP saccharide . 'RIBOSE(PYRANOSE FORM)' ? 'C5 H10 O5' 150.130 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 2PX1 _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.46 _exptl_crystal.density_percent_sol 49.92 _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 298.0 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 6.5 _exptl_crystal_grow.pdbx_details '0.01M znso4, 25% PEG, Monomethyl ether 550, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K' _exptl_crystal_grow.pdbx_pH_range . # _diffrn.id 1 _diffrn.ambient_temp 273 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'MAR CCD 165 mm' _diffrn_detector.pdbx_collection_date 2007-03-28 _diffrn_detector.details MIRROR # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator GRAPHITE _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.8088 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'EMBL/DESY, HAMBURG BEAMLINE X31' _diffrn_source.pdbx_synchrotron_site 'EMBL/DESY, Hamburg' _diffrn_source.pdbx_synchrotron_beamline X31 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 0.8088 # _reflns.entry_id 2PX1 _reflns.observed_criterion_sigma_I 0.0 _reflns.observed_criterion_sigma_F 0.0 _reflns.d_resolution_low 50.0 _reflns.d_resolution_high 2.50 _reflns.number_obs 12819 _reflns.number_all 12828 _reflns.percent_possible_obs 99.5 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value 5.0 _reflns.pdbx_netI_over_sigmaI 2.1 _reflns.B_iso_Wilson_estimate 51.2 _reflns.pdbx_redundancy ? _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # _reflns_shell.d_res_high 2.50 _reflns_shell.d_res_low 2.54 _reflns_shell.percent_possible_all 92.0 _reflns_shell.Rmerge_I_obs ? _reflns_shell.pdbx_Rsym_value 15.8 _reflns_shell.meanI_over_sigI_obs 13.4 _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 2PX1 _refine.ls_number_reflns_obs 12789 _refine.ls_number_reflns_all 12819 _refine.pdbx_ls_sigma_I 0.0 _refine.pdbx_ls_sigma_F 0.0 _refine.pdbx_data_cutoff_high_absF 895462.51 _refine.pdbx_data_cutoff_low_absF 0.000000 _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 19.96 _refine.ls_d_res_high 2.50 _refine.ls_percent_reflns_obs 99.6 _refine.ls_R_factor_obs 0.204 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.204 _refine.ls_R_factor_R_free 0.228 _refine.ls_R_factor_R_free_error 0.009 _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.1 _refine.ls_number_reflns_R_free 655 _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 43.0 _refine.aniso_B[1][1] 17.00 _refine.aniso_B[2][2] -12.14 _refine.aniso_B[3][3] -4.85 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] -12.89 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details 'FLAT MODEL' _refine.solvent_model_param_ksol 0.313984 _refine.solvent_model_param_bsol 33.3113 _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 1NKX _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model RESTRAINED _refine.pdbx_stereochemistry_target_values 'Engh & Huber' _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_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_overall_phase_error ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_analyze.entry_id 2PX1 _refine_analyze.Luzzati_coordinate_error_obs 0.26 _refine_analyze.Luzzati_sigma_a_obs 0.27 _refine_analyze.Luzzati_d_res_low_obs 5.00 _refine_analyze.Luzzati_coordinate_error_free 0.29 _refine_analyze.Luzzati_sigma_a_free 0.25 _refine_analyze.Luzzati_d_res_low_free ? _refine_analyze.number_disordered_residues ? _refine_analyze.occupancy_sum_hydrogen ? _refine_analyze.occupancy_sum_non_hydrogen ? _refine_analyze.pdbx_Luzzati_d_res_high_obs ? _refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION' # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 2605 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 149 _refine_hist.number_atoms_solvent 165 _refine_hist.number_atoms_total 2919 _refine_hist.d_res_high 2.50 _refine_hist.d_res_low 19.96 # 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 c_bond_d 0.011 ? ? ? 'X-RAY DIFFRACTION' ? c_bond_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? c_bond_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? c_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ? c_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? c_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? c_angle_deg 1.9 ? ? ? 'X-RAY DIFFRACTION' ? c_angle_deg_na ? ? ? ? 'X-RAY DIFFRACTION' ? c_angle_deg_prot ? ? ? ? 'X-RAY DIFFRACTION' ? c_dihedral_angle_d 24.8 ? ? ? 'X-RAY DIFFRACTION' ? c_dihedral_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? c_dihedral_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? c_improper_angle_d 1.50 ? ? ? 'X-RAY DIFFRACTION' ? c_improper_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? c_improper_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? c_mcbond_it 1.07 1.50 ? ? 'X-RAY DIFFRACTION' ? c_mcangle_it 1.87 2.00 ? ? 'X-RAY DIFFRACTION' ? c_scbond_it 1.50 2.00 ? ? 'X-RAY DIFFRACTION' ? c_scangle_it 2.39 2.50 ? ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_total_number_of_bins_used 6 _refine_ls_shell.d_res_high 2.50 _refine_ls_shell.d_res_low 2.66 _refine_ls_shell.number_reflns_R_work 1954 _refine_ls_shell.R_factor_R_work 0.259 _refine_ls_shell.percent_reflns_obs 98.5 _refine_ls_shell.R_factor_R_free 0.262 _refine_ls_shell.R_factor_R_free_error 0.025 _refine_ls_shell.percent_reflns_R_free 5.2 _refine_ls_shell.number_reflns_R_free 108 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' # loop_ _pdbx_xplor_file.serial_no _pdbx_xplor_file.param_file _pdbx_xplor_file.topol_file _pdbx_xplor_file.pdbx_refine_id 1 protein_rep.param &_1_TOPOLOGY_INFILE_1 'X-RAY DIFFRACTION' 2 ion.param &_1_TOPOLOGY_INFILE_2 'X-RAY DIFFRACTION' 3 water_rep.param &_1_TOPOLOGY_INFILE_3 'X-RAY DIFFRACTION' 4 carbohydrate.param &_1_TOPOLOGY_INFILE_4 'X-RAY DIFFRACTION' 5 rip.par &_1_TOPOLOGY_INFILE_5 'X-RAY DIFFRACTION' # _struct.entry_id 2PX1 _struct.title 'crystal structure of the complex of bovine lactoferrin C-lobe with Ribose at 2.5 A resolution' _struct.pdbx_descriptor 'Lactotransferrin (EC 3.4.21.-) (E.C.3.4.21)' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 2PX1 _struct_keywords.pdbx_keywords HYDROLASE _struct_keywords.text 'COMPLEX, RIBOSE, C-LOBE, HYDROLASE' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 2 ? D N N 2 ? E N N 2 ? F N N 3 ? G N N 3 ? H N N 2 ? I N N 4 ? J N N 3 ? K N N 5 ? L N N 5 ? M N N 6 ? N N N 7 ? O N N 8 ? P N N 8 ? Q N N 9 ? R N N 10 ? # _struct_biol.id 1 # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 GLY A 10 ? GLY A 25 ? GLY A 351 GLY A 366 1 ? 16 HELX_P HELX_P2 2 THR A 35 ? LYS A 45 ? THR A 376 LYS A 386 1 ? 11 HELX_P HELX_P3 3 ASP A 54 ? CYS A 64 ? ASP A 395 CYS A 405 1 ? 11 HELX_P HELX_P4 4 ASP A 83 ? ARG A 87 ? ASP A 424 ARG A 428 5 ? 5 HELX_P HELX_P5 5 THR A 106 ? LEU A 110 ? THR A 447 LEU A 451 5 ? 5 HELX_P HELX_P6 6 TRP A 126 ? GLY A 138 ? TRP A 467 GLY A 479 1 ? 13 HELX_P HELX_P7 7 ALA A 141 ? PHE A 145 ? ALA A 482 PHE A 486 5 ? 5 HELX_P HELX_P8 8 TYR A 183 ? GLU A 194 ? TYR A 524 GLU A 535 1 ? 12 HELX_P HELX_P9 9 ASN A 204 ? ASN A 210 ? ASN A 545 ASN A 551 1 ? 7 HELX_P HELX_P10 10 LYS A 224 ? GLU A 226 ? LYS A 565 GLU A 567 5 ? 3 HELX_P HELX_P11 11 GLU A 242 ? CYS A 246 ? GLU A 583 CYS A 587 5 ? 5 HELX_P HELX_P12 12 ARG A 262 ? GLY A 278 ? ARG A 603 GLY A 619 1 ? 17 HELX_P HELX_P13 13 THR A 315 ? GLY A 321 ? THR A 656 GLY A 662 1 ? 7 HELX_P HELX_P14 14 GLY A 321 ? LYS A 333 ? GLY A 662 LYS A 674 1 ? 13 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 7 SG ? ? ? 1_555 A CYS 39 SG ? ? A CYS 348 A CYS 380 1_555 ? ? ? ? ? ? ? 2.019 ? disulf2 disulf ? ? A CYS 17 SG ? ? ? 1_555 A CYS 30 SG ? ? A CYS 358 A CYS 371 1_555 ? ? ? ? ? ? ? 2.037 ? disulf3 disulf ? ? A CYS 64 SG ? ? ? 1_555 A CYS 343 SG ? ? A CYS 405 A CYS 684 1_555 ? ? ? ? ? ? ? 2.036 ? disulf4 disulf ? ? A CYS 84 SG ? ? ? 1_555 A CYS 306 SG ? ? A CYS 425 A CYS 647 1_555 ? ? ? ? ? ? ? 2.032 ? disulf5 disulf ? ? A CYS 116 SG ? ? ? 1_555 A CYS 191 SG ? ? A CYS 457 A CYS 532 1_555 ? ? ? ? ? ? ? 2.025 ? disulf6 disulf ? ? A CYS 140 SG ? ? ? 1_555 A CYS 334 SG ? ? A CYS 481 A CYS 675 1_555 ? ? ? ? ? ? ? 2.030 ? disulf7 disulf ? ? A CYS 150 SG ? ? ? 1_555 A CYS 164 SG ? ? A CYS 491 A CYS 505 1_555 ? ? ? ? ? ? ? 2.041 ? disulf8 disulf ? ? A CYS 161 SG ? ? ? 1_555 A CYS 174 SG ? ? A CYS 502 A CYS 515 1_555 ? ? ? ? ? ? ? 2.033 ? disulf9 disulf ? ? A CYS 232 SG ? ? ? 1_555 A CYS 246 SG ? ? A CYS 573 A CYS 587 1_555 ? ? ? ? ? ? ? 2.039 ? disulf10 disulf ? ? A CYS 284 SG ? ? ? 1_555 A CYS 289 SG ? ? A CYS 625 A CYS 630 1_555 ? ? ? ? ? ? ? 2.041 ? covale1 covale ? ? A ASN 27 ND2 ? ? ? 1_555 B NAG . C1 ? ? A ASN 368 A NAG 1 1_555 ? ? ? ? ? ? ? 1.443 ? covale2 covale ? ? A ASN 135 ND2 ? ? ? 1_555 D NAG . C1 ? ? A ASN 476 A NAG 687 1_555 ? ? ? ? ? ? ? 1.434 ? covale3 covale ? ? A ASN 204 ND2 ? ? ? 1_555 H NAG . C1 ? ? A ASN 545 A NAG 691 1_555 ? ? ? ? ? ? ? 1.462 ? covale4 covale ? ? B NAG . O4 ? ? ? 1_555 C NAG . C1 ? ? A NAG 1 A NAG 2 1_555 ? ? ? ? ? ? ? 1.383 ? covale5 covale ? ? D NAG . O4 ? ? ? 1_555 E NAG . C1 ? ? A NAG 687 A NAG 688 1_555 ? ? ? ? ? ? ? 1.383 ? covale6 covale ? ? E NAG . O4 ? ? ? 1_555 F BMA . C1 ? ? A NAG 688 A BMA 689 1_555 ? ? ? ? ? ? ? 1.398 ? covale7 covale ? ? F BMA . O4 ? ? ? 1_555 G BMA . C1 ? ? A BMA 689 A BMA 690 1_555 ? ? ? ? ? ? ? 1.420 ? covale8 covale ? ? H NAG . O4 ? ? ? 1_555 I NDG . C1 ? ? A NAG 691 A NDG 692 1_555 ? ? ? ? ? ? ? 1.387 ? covale9 covale ? ? I NDG . O4 ? ? ? 1_555 J BMA . C1 ? ? A NDG 692 A BMA 693 1_555 ? ? ? ? ? ? ? 1.416 ? metalc1 metalc ? ? O ZN . ZN ? ? ? 1_555 A GLU 318 OE2 ? ? A ZN 301 A GLU 659 1_555 ? ? ? ? ? ? ? 2.216 ? metalc2 metalc ? ? O ZN . ZN ? ? ? 1_555 A GLU 318 OE1 ? ? A ZN 301 A GLU 659 1_555 ? ? ? ? ? ? ? 2.230 ? metalc3 metalc ? ? P ZN . ZN ? ? ? 1_555 A HIS 247 NE2 ? ? A ZN 302 A HIS 588 1_555 ? ? ? ? ? ? ? 2.231 ? covale10 covale ? ? I NDG . O3 ? ? ? 1_555 J BMA . O2 ? ? A NDG 692 A BMA 693 1_555 ? ? ? ? ? ? ? 1.756 ? metalc4 metalc ? ? M FE . FE ? ? ? 1_555 A TYR 92 OH ? ? A FE 1001 A TYR 433 1_555 ? ? ? ? ? ? ? 1.956 ? metalc5 metalc ? ? M FE . FE ? ? ? 1_555 A HIS 254 NE2 ? ? A FE 1001 A HIS 595 1_555 ? ? ? ? ? ? ? 2.129 ? metalc6 metalc ? ? M FE . FE ? ? ? 1_555 A ASP 54 OD1 ? ? A FE 1001 A ASP 395 1_555 ? ? ? ? ? ? ? 2.043 ? metalc7 metalc ? ? M FE . FE ? ? ? 1_555 N CO3 . O2 ? ? A FE 1001 A CO3 201 1_555 ? ? ? ? ? ? ? 2.197 ? metalc8 metalc ? ? M FE . FE ? ? ? 1_555 N CO3 . O1 ? ? A FE 1001 A CO3 201 1_555 ? ? ? ? ? ? ? 2.272 ? metalc9 metalc ? ? M FE . FE ? ? ? 1_555 A TYR 185 OH ? ? A FE 1001 A TYR 526 1_555 ? ? ? ? ? ? ? 1.896 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? metalc ? ? # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 2 ? B ? 4 ? C ? 6 ? D ? 5 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? parallel B 1 2 ? anti-parallel B 2 3 ? anti-parallel B 3 4 ? anti-parallel C 1 2 ? parallel C 2 3 ? parallel C 3 4 ? anti-parallel C 4 5 ? anti-parallel C 5 6 ? anti-parallel D 1 2 ? parallel D 2 3 ? parallel D 3 4 ? anti-parallel D 4 5 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 VAL A 4 ? VAL A 9 ? VAL A 345 VAL A 350 A 2 VAL A 28 ? ALA A 33 ? VAL A 369 ALA A 374 B 1 ALA A 50 ? LEU A 53 ? ALA A 391 LEU A 394 B 2 ALA A 255 ? ARG A 259 ? ALA A 596 ARG A 600 B 3 LEU A 66 ? ARG A 74 ? LEU A 407 ARG A 415 B 4 THR A 304 ? ALA A 308 ? THR A 645 ALA A 649 C 1 GLN A 148 ? CYS A 150 ? GLN A 489 CYS A 491 C 2 LYS A 114 ? HIS A 117 ? LYS A 455 HIS A 458 C 3 VAL A 199 ? LYS A 203 ? VAL A 540 LYS A 544 C 4 TYR A 92 ? LYS A 99 ? TYR A 433 LYS A 440 C 5 PHE A 228 ? LEU A 231 ? PHE A 569 LEU A 572 C 6 ARG A 237 ? LYS A 238 ? ARG A 578 LYS A 579 D 1 GLN A 148 ? CYS A 150 ? GLN A 489 CYS A 491 D 2 LYS A 114 ? HIS A 117 ? LYS A 455 HIS A 458 D 3 VAL A 199 ? LYS A 203 ? VAL A 540 LYS A 544 D 4 TYR A 92 ? LYS A 99 ? TYR A 433 LYS A 440 D 5 ALA A 249 ? ALA A 251 ? ALA A 590 ALA A 592 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 N ALA A 8 ? N ALA A 349 O ALA A 31 ? O ALA A 372 B 1 2 N LEU A 53 ? N LEU A 394 O ALA A 255 ? O ALA A 596 B 2 3 O 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 VAL A 98 ? N VAL A 439 O ARG A 229 ? O ARG A 570 C 5 6 N LEU A 230 ? N LEU A 571 O LYS A 238 ? O LYS A 579 D 1 2 O CYS A 150 ? O CYS A 491 N HIS A 117 ? N HIS A 458 D 2 3 N CYS A 116 ? N CYS A 457 O PHE A 201 ? O PHE A 542 D 3 4 O ALA A 200 ? O ALA A 541 N VAL A 97 ? N VAL A 438 D 4 5 N TYR A 92 ? N TYR A 433 O ALA A 251 ? O ALA A 592 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE NAG A 1' AC2 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG A 2' AC3 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG A 687' AC4 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG A 688' AC5 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE BMA A 689' AC6 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE BMA A 690' AC7 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG A 691' AC8 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NDG A 692' AC9 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE BMA A 693' BC1 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE RIP A 694' BC2 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE RIP A 695' BC3 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE FE A 1001' BC4 Software ? ? ? ? 10 'BINDING SITE FOR RESIDUE CO3 A 201' BC5 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE ZN A 301' BC6 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE ZN A 302' BC7 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE SO4 A 1002' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 7 NAG C . ? NAG A 2 . ? 1_555 ? 2 AC1 7 SER A 24 ? SER A 365 . ? 1_555 ? 3 AC1 7 ASN A 27 ? ASN A 368 . ? 1_555 ? 4 AC1 7 LEU A 276 ? LEU A 617 . ? 1_555 ? 5 AC1 7 HOH R . ? HOH A 1075 . ? 1_555 ? 6 AC1 7 HOH R . ? HOH A 1086 . ? 1_555 ? 7 AC1 7 HOH R . ? HOH A 1153 . ? 1_555 ? 8 AC2 3 NAG B . ? NAG A 1 . ? 1_555 ? 9 AC2 3 HOH R . ? HOH A 1086 . ? 1_555 ? 10 AC2 3 HOH R . ? HOH A 1150 . ? 1_555 ? 11 AC3 6 ASN A 135 ? ASN A 476 . ? 1_555 ? 12 AC3 6 THR A 326 ? THR A 667 . ? 1_555 ? 13 AC3 6 ALA A 327 ? ALA A 668 . ? 1_555 ? 14 AC3 6 ASN A 330 ? ASN A 671 . ? 1_555 ? 15 AC3 6 NAG E . ? NAG A 688 . ? 1_555 ? 16 AC3 6 HOH R . ? HOH A 1049 . ? 1_555 ? 17 AC4 5 GLU A 323 ? GLU A 664 . ? 1_555 ? 18 AC4 5 THR A 326 ? THR A 667 . ? 1_555 ? 19 AC4 5 ASN A 330 ? ASN A 671 . ? 1_555 ? 20 AC4 5 NAG D . ? NAG A 687 . ? 1_555 ? 21 AC4 5 BMA F . ? BMA A 689 . ? 1_555 ? 22 AC5 2 NAG E . ? NAG A 688 . ? 1_555 ? 23 AC5 2 BMA G . ? BMA A 690 . ? 1_555 ? 24 AC6 1 BMA F . ? BMA A 689 . ? 1_555 ? 25 AC7 6 LEU A 93 ? LEU A 434 . ? 1_555 ? 26 AC7 6 ASN A 204 ? ASN A 545 . ? 1_555 ? 27 AC7 6 ASP A 205 ? ASP A 546 . ? 1_555 ? 28 AC7 6 GLN A 244 ? GLN A 585 . ? 1_555 ? 29 AC7 6 NDG I . ? NDG A 692 . ? 1_555 ? 30 AC7 6 HOH R . ? HOH A 1136 . ? 1_555 ? 31 AC8 6 LYS A 75 ? LYS A 416 . ? 1_555 ? 32 AC8 6 TRP A 208 ? TRP A 549 . ? 1_555 ? 33 AC8 6 NAG H . ? NAG A 691 . ? 1_555 ? 34 AC8 6 BMA J . ? BMA A 693 . ? 1_555 ? 35 AC8 6 HOH R . ? HOH A 1050 . ? 1_555 ? 36 AC8 6 HOH R . ? HOH A 1138 . ? 1_555 ? 37 AC9 5 LYS A 75 ? LYS A 416 . ? 1_555 ? 38 AC9 5 NDG I . ? NDG A 692 . ? 1_555 ? 39 AC9 5 HOH R . ? HOH A 1050 . ? 1_555 ? 40 AC9 5 HOH R . ? HOH A 1112 . ? 1_555 ? 41 AC9 5 HOH R . ? HOH A 1137 . ? 1_555 ? 42 BC1 6 VAL A 250 ? VAL A 591 . ? 1_555 ? 43 BC1 6 PRO A 252 ? PRO A 593 . ? 1_555 ? 44 BC1 6 GLU A 318 ? GLU A 659 . ? 1_555 ? 45 BC1 6 TYR A 319 ? TYR A 660 . ? 1_555 ? 46 BC1 6 LEU A 320 ? LEU A 661 . ? 1_555 ? 47 BC1 6 HOH R . ? HOH A 1059 . ? 1_555 ? 48 BC2 6 ASP A 37 ? ASP A 378 . ? 1_555 ? 49 BC2 6 ASP A 121 ? ASP A 462 . ? 1_555 ? 50 BC2 6 LYS A 332 ? LYS A 673 . ? 1_555 ? 51 BC2 6 HOH R . ? HOH A 1054 . ? 1_555 ? 52 BC2 6 HOH R . ? HOH A 1141 . ? 1_555 ? 53 BC2 6 HOH R . ? HOH A 1165 . ? 1_555 ? 54 BC3 5 CO3 N . ? CO3 A 201 . ? 1_555 ? 55 BC3 5 ASP A 54 ? ASP A 395 . ? 1_555 ? 56 BC3 5 TYR A 92 ? TYR A 433 . ? 1_555 ? 57 BC3 5 TYR A 185 ? TYR A 526 . ? 1_555 ? 58 BC3 5 HIS A 254 ? HIS A 595 . ? 1_555 ? 59 BC4 10 ASP A 54 ? ASP A 395 . ? 1_555 ? 60 BC4 10 TYR A 92 ? TYR A 433 . ? 1_555 ? 61 BC4 10 THR A 118 ? THR A 459 . ? 1_555 ? 62 BC4 10 ARG A 122 ? ARG A 463 . ? 1_555 ? 63 BC4 10 THR A 123 ? THR A 464 . ? 1_555 ? 64 BC4 10 ALA A 124 ? ALA A 465 . ? 1_555 ? 65 BC4 10 GLY A 125 ? GLY A 466 . ? 1_555 ? 66 BC4 10 TYR A 185 ? TYR A 526 . ? 1_555 ? 67 BC4 10 HIS A 254 ? HIS A 595 . ? 1_555 ? 68 BC4 10 FE M . ? FE A 1001 . ? 1_555 ? 69 BC5 2 GLY A 312 ? GLY A 653 . ? 1_555 ? 70 BC5 2 GLU A 318 ? GLU A 659 . ? 1_555 ? 71 BC6 1 HIS A 247 ? HIS A 588 . ? 1_555 ? 72 BC7 3 ARG A 229 ? ARG A 570 . ? 1_555 ? 73 BC7 3 ARG A 237 ? ARG A 578 . ? 1_555 ? 74 BC7 3 HOH R . ? HOH A 1087 . ? 1_555 ? # _database_PDB_matrix.entry_id 2PX1 _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 2PX1 _atom_sites.fract_transf_matrix[1][1] 0.016693 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.004749 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.020149 _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] 0.016068 _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 ? 9.243 13.860 30.149 1.00 71.00 ? 342 TYR A N 1 ATOM 2 C CA . TYR A 1 1 ? 7.958 13.103 29.932 1.00 71.13 ? 342 TYR A CA 1 ATOM 3 C C . TYR A 1 1 ? 8.072 12.043 28.829 1.00 69.68 ? 342 TYR A C 1 ATOM 4 O O . TYR A 1 1 ? 7.264 11.082 28.783 1.00 70.44 ? 342 TYR A O 1 ATOM 5 C CB . TYR A 1 1 ? 6.876 14.021 29.373 1.00 72.82 ? 342 TYR A CB 1 ATOM 6 C CG . TYR A 1 1 ? 6.095 15.093 30.141 1.00 74.59 ? 342 TYR A CG 1 ATOM 7 C CD1 . TYR A 1 1 ? 6.569 15.682 31.297 1.00 75.14 ? 342 TYR A CD1 1 ATOM 8 C CD2 . TYR A 1 1 ? 4.859 15.546 29.642 1.00 74.76 ? 342 TYR A CD2 1 ATOM 9 C CE1 . TYR A 1 1 ? 5.818 16.684 31.965 1.00 75.95 ? 342 TYR A CE1 1 ATOM 10 C CE2 . TYR A 1 1 ? 4.119 16.530 30.284 1.00 75.91 ? 342 TYR A CE2 1 ATOM 11 C CZ . TYR A 1 1 ? 4.595 17.099 31.438 1.00 76.38 ? 342 TYR A CZ 1 ATOM 12 O OH . TYR A 1 1 ? 3.807 18.046 32.052 1.00 76.68 ? 342 TYR A OH 1 ATOM 13 N N . THR A 1 2 ? 9.087 12.174 27.968 1.00 67.30 ? 343 THR A N 1 ATOM 14 C CA . THR A 1 2 ? 9.111 11.427 26.714 1.00 64.68 ? 343 THR A CA 1 ATOM 15 C C . THR A 1 2 ? 8.836 9.986 26.311 1.00 62.48 ? 343 THR A C 1 ATOM 16 O O . THR A 1 2 ? 8.755 9.684 25.109 1.00 62.79 ? 343 THR A O 1 ATOM 17 C CB . THR A 1 2 ? 10.277 11.985 25.791 1.00 65.43 ? 343 THR A CB 1 ATOM 18 O OG1 . THR A 1 2 ? 11.502 11.283 25.997 1.00 65.27 ? 343 THR A OG1 1 ATOM 19 C CG2 . THR A 1 2 ? 10.517 13.524 26.073 1.00 65.06 ? 343 THR A CG2 1 ATOM 20 N N . ARG A 1 3 ? 8.545 9.145 27.282 1.00 59.04 ? 344 ARG A N 1 ATOM 21 C CA . ARG A 1 3 ? 8.214 7.766 26.991 1.00 55.97 ? 344 ARG A CA 1 ATOM 22 C C . ARG A 1 3 ? 6.692 7.527 27.031 1.00 52.67 ? 344 ARG A C 1 ATOM 23 O O . ARG A 1 3 ? 6.054 7.712 28.072 1.00 52.21 ? 344 ARG A O 1 ATOM 24 C CB . ARG A 1 3 ? 8.885 6.841 28.006 1.00 57.91 ? 344 ARG A CB 1 ATOM 25 C CG . ARG A 1 3 ? 9.726 5.714 27.408 1.00 61.25 ? 344 ARG A CG 1 ATOM 26 C CD . ARG A 1 3 ? 11.133 6.198 27.073 1.00 64.41 ? 344 ARG A CD 1 ATOM 27 N NE . ARG A 1 3 ? 12.134 5.146 27.240 1.00 67.71 ? 344 ARG A NE 1 ATOM 28 C CZ . ARG A 1 3 ? 13.419 5.273 26.913 1.00 69.96 ? 344 ARG A CZ 1 ATOM 29 N NH1 . ARG A 1 3 ? 13.870 6.409 26.392 1.00 70.28 ? 344 ARG A NH1 1 ATOM 30 N NH2 . ARG A 1 3 ? 14.257 4.262 27.111 1.00 70.72 ? 344 ARG A NH2 1 ATOM 31 N N . VAL A 1 4 ? 6.104 7.124 25.905 1.00 48.75 ? 345 VAL A N 1 ATOM 32 C CA . VAL A 1 4 ? 4.666 6.831 25.858 1.00 44.82 ? 345 VAL A CA 1 ATOM 33 C C . VAL A 1 4 ? 4.416 5.321 25.833 1.00 42.41 ? 345 VAL A C 1 ATOM 34 O O . VAL A 1 4 ? 4.970 4.583 25.002 1.00 41.56 ? 345 VAL A O 1 ATOM 35 C CB . VAL A 1 4 ? 3.955 7.483 24.640 1.00 44.79 ? 345 VAL A CB 1 ATOM 36 C CG1 . VAL A 1 4 ? 2.538 6.896 24.475 1.00 43.77 ? 345 VAL A CG1 1 ATOM 37 C CG2 . VAL A 1 4 ? 3.843 8.987 24.864 1.00 43.87 ? 345 VAL A CG2 1 ATOM 38 N N . VAL A 1 5 ? 3.592 4.866 26.773 1.00 39.54 ? 346 VAL A N 1 ATOM 39 C CA . VAL A 1 5 ? 3.248 3.459 26.895 1.00 37.47 ? 346 VAL A CA 1 ATOM 40 C C . VAL A 1 5 ? 1.881 3.244 26.247 1.00 36.11 ? 346 VAL A C 1 ATOM 41 O O . VAL A 1 5 ? 0.853 3.740 26.727 1.00 37.17 ? 346 VAL A O 1 ATOM 42 C CB . VAL A 1 5 ? 3.225 3.035 28.385 1.00 37.50 ? 346 VAL A CB 1 ATOM 43 C CG1 . VAL A 1 5 ? 2.956 1.536 28.516 1.00 35.16 ? 346 VAL A CG1 1 ATOM 44 C CG2 . VAL A 1 5 ? 4.567 3.385 29.031 1.00 36.85 ? 346 VAL A CG2 1 ATOM 45 N N . TRP A 1 6 ? 1.885 2.523 25.131 1.00 32.94 ? 347 TRP A N 1 ATOM 46 C CA . TRP A 1 6 ? 0.672 2.229 24.385 1.00 29.90 ? 347 TRP A CA 1 ATOM 47 C C . TRP A 1 6 ? 0.038 0.967 24.951 1.00 29.30 ? 347 TRP A C 1 ATOM 48 O O . TRP A 1 6 ? 0.739 0.089 25.454 1.00 30.21 ? 347 TRP A O 1 ATOM 49 C CB . TRP A 1 6 ? 1.006 2.009 22.906 1.00 27.69 ? 347 TRP A CB 1 ATOM 50 C CG . TRP A 1 6 ? -0.141 2.265 22.000 1.00 26.54 ? 347 TRP A CG 1 ATOM 51 C CD1 . TRP A 1 6 ? -0.974 1.337 21.440 1.00 25.93 ? 347 TRP A CD1 1 ATOM 52 C CD2 . TRP A 1 6 ? -0.642 3.547 21.601 1.00 25.97 ? 347 TRP A CD2 1 ATOM 53 N NE1 . TRP A 1 6 ? -1.949 1.965 20.701 1.00 27.04 ? 347 TRP A NE1 1 ATOM 54 C CE2 . TRP A 1 6 ? -1.765 3.325 20.780 1.00 26.20 ? 347 TRP A CE2 1 ATOM 55 C CE3 . TRP A 1 6 ? -0.231 4.872 21.840 1.00 26.32 ? 347 TRP A CE3 1 ATOM 56 C CZ2 . TRP A 1 6 ? -2.509 4.371 20.218 1.00 26.24 ? 347 TRP A CZ2 1 ATOM 57 C CZ3 . TRP A 1 6 ? -0.973 5.919 21.278 1.00 25.70 ? 347 TRP A CZ3 1 ATOM 58 C CH2 . TRP A 1 6 ? -2.089 5.656 20.467 1.00 26.41 ? 347 TRP A CH2 1 ATOM 59 N N . CYS A 1 7 ? -1.290 0.870 24.888 1.00 27.54 ? 348 CYS A N 1 ATOM 60 C CA . CYS A 1 7 ? -1.957 -0.323 25.394 1.00 25.22 ? 348 CYS A CA 1 ATOM 61 C C . CYS A 1 7 ? -2.499 -1.142 24.253 1.00 24.91 ? 348 CYS A C 1 ATOM 62 O O . CYS A 1 7 ? -3.273 -0.659 23.429 1.00 26.34 ? 348 CYS A O 1 ATOM 63 C CB . CYS A 1 7 ? -3.105 0.026 26.324 1.00 25.29 ? 348 CYS A CB 1 ATOM 64 S SG . CYS A 1 7 ? -3.652 -1.450 27.254 1.00 25.63 ? 348 CYS A SG 1 ATOM 65 N N . ALA A 1 8 ? -2.095 -2.395 24.193 1.00 24.22 ? 349 ALA A N 1 ATOM 66 C CA . ALA A 1 8 ? -2.530 -3.248 23.114 1.00 24.03 ? 349 ALA A CA 1 ATOM 67 C C . ALA A 1 8 ? -3.607 -4.195 23.565 1.00 24.77 ? 349 ALA A C 1 ATOM 68 O O . ALA A 1 8 ? -3.547 -4.739 24.669 1.00 24.24 ? 349 ALA A O 1 ATOM 69 C CB . ALA A 1 8 ? -1.359 -4.017 22.567 1.00 22.34 ? 349 ALA A CB 1 ATOM 70 N N . VAL A 1 9 ? -4.596 -4.397 22.701 1.00 25.57 ? 350 VAL A N 1 ATOM 71 C CA . VAL A 1 9 ? -5.698 -5.288 23.012 1.00 26.22 ? 350 VAL A CA 1 ATOM 72 C C . VAL A 1 9 ? -5.480 -6.625 22.295 1.00 27.24 ? 350 VAL A C 1 ATOM 73 O O . VAL A 1 9 ? -5.619 -6.729 21.078 1.00 27.00 ? 350 VAL A O 1 ATOM 74 C CB . VAL A 1 9 ? -7.044 -4.617 22.613 1.00 26.30 ? 350 VAL A CB 1 ATOM 75 C CG1 . VAL A 1 9 ? -8.226 -5.574 22.846 1.00 23.08 ? 350 VAL A CG1 1 ATOM 76 C CG2 . VAL A 1 9 ? -7.216 -3.333 23.450 1.00 25.42 ? 350 VAL A CG2 1 ATOM 77 N N . GLY A 1 10 ? -5.109 -7.643 23.057 1.00 29.07 ? 351 GLY A N 1 ATOM 78 C CA . GLY A 1 10 ? -4.861 -8.941 22.462 1.00 30.93 ? 351 GLY A CA 1 ATOM 79 C C . GLY A 1 10 ? -3.433 -9.112 21.960 1.00 32.52 ? 351 GLY A C 1 ATOM 80 O O . GLY A 1 10 ? -2.719 -8.127 21.725 1.00 31.63 ? 351 GLY A O 1 ATOM 81 N N . PRO A 1 11 ? -2.991 -10.368 21.756 1.00 32.81 ? 352 PRO A N 1 ATOM 82 C CA . PRO A 1 11 ? -1.631 -10.733 21.312 1.00 33.63 ? 352 PRO A CA 1 ATOM 83 C C . PRO A 1 11 ? -1.171 -10.265 19.930 1.00 34.31 ? 352 PRO A C 1 ATOM 84 O O . PRO A 1 11 ? 0.035 -10.080 19.708 1.00 34.64 ? 352 PRO A O 1 ATOM 85 C CB . PRO A 1 11 ? -1.628 -12.253 21.405 1.00 32.52 ? 352 PRO A CB 1 ATOM 86 C CG . PRO A 1 11 ? -3.036 -12.635 21.168 1.00 33.40 ? 352 PRO A CG 1 ATOM 87 C CD . PRO A 1 11 ? -3.850 -11.555 21.868 1.00 33.61 ? 352 PRO A CD 1 ATOM 88 N N . GLU A 1 12 ? -2.109 -10.074 19.005 1.00 35.19 ? 353 GLU A N 1 ATOM 89 C CA . GLU A 1 12 ? -1.741 -9.610 17.693 1.00 36.24 ? 353 GLU A CA 1 ATOM 90 C C . GLU A 1 12 ? -1.392 -8.134 17.758 1.00 36.66 ? 353 GLU A C 1 ATOM 91 O O . GLU A 1 12 ? -0.410 -7.709 17.149 1.00 38.33 ? 353 GLU A O 1 ATOM 92 C CB . GLU A 1 12 ? -2.875 -9.853 16.703 1.00 36.80 ? 353 GLU A CB 1 ATOM 93 C CG . GLU A 1 12 ? -3.009 -11.306 16.324 1.00 38.96 ? 353 GLU A CG 1 ATOM 94 C CD . GLU A 1 12 ? -4.012 -11.513 15.219 1.00 41.76 ? 353 GLU A CD 1 ATOM 95 O OE1 . GLU A 1 12 ? -4.917 -10.665 15.072 1.00 39.83 ? 353 GLU A OE1 1 ATOM 96 O OE2 . GLU A 1 12 ? -3.903 -12.535 14.504 1.00 45.20 ? 353 GLU A OE2 1 ATOM 97 N N . GLU A 1 13 ? -2.197 -7.351 18.482 1.00 36.00 ? 354 GLU A N 1 ATOM 98 C CA . GLU A 1 13 ? -1.924 -5.922 18.619 1.00 35.16 ? 354 GLU A CA 1 ATOM 99 C C . GLU A 1 13 ? -0.653 -5.830 19.442 1.00 34.93 ? 354 GLU A C 1 ATOM 100 O O . GLU A 1 13 ? 0.133 -4.895 19.283 1.00 37.43 ? 354 GLU A O 1 ATOM 101 C CB . GLU A 1 13 ? -3.055 -5.169 19.349 1.00 35.67 ? 354 GLU A CB 1 ATOM 102 C CG . GLU A 1 13 ? -4.326 -4.971 18.529 1.00 34.97 ? 354 GLU A CG 1 ATOM 103 C CD . GLU A 1 13 ? -5.117 -3.737 18.941 1.00 35.56 ? 354 GLU A CD 1 ATOM 104 O OE1 . GLU A 1 13 ? -4.848 -3.164 20.019 1.00 35.89 ? 354 GLU A OE1 1 ATOM 105 O OE2 . GLU A 1 13 ? -6.021 -3.341 18.185 1.00 36.28 ? 354 GLU A OE2 1 ATOM 106 N N . GLN A 1 14 ? -0.444 -6.796 20.332 1.00 34.02 ? 355 GLN A N 1 ATOM 107 C CA . GLN A 1 14 ? 0.762 -6.796 21.145 1.00 34.41 ? 355 GLN A CA 1 ATOM 108 C C . GLN A 1 14 ? 1.978 -6.987 20.207 1.00 33.99 ? 355 GLN A C 1 ATOM 109 O O . GLN A 1 14 ? 2.955 -6.241 20.280 1.00 31.91 ? 355 GLN A O 1 ATOM 110 C CB . GLN A 1 14 ? 0.720 -7.935 22.164 1.00 35.63 ? 355 GLN A CB 1 ATOM 111 C CG . GLN A 1 14 ? 1.808 -7.834 23.213 1.00 37.75 ? 355 GLN A CG 1 ATOM 112 C CD . GLN A 1 14 ? 1.961 -9.082 24.054 1.00 40.12 ? 355 GLN A CD 1 ATOM 113 O OE1 . GLN A 1 14 ? 2.461 -9.015 25.177 1.00 43.14 ? 355 GLN A OE1 1 ATOM 114 N NE2 . GLN A 1 14 ? 1.554 -10.233 23.515 1.00 41.09 ? 355 GLN A NE2 1 ATOM 115 N N . LYS A 1 15 ? 1.919 -7.991 19.330 1.00 35.18 ? 356 LYS A N 1 ATOM 116 C CA . LYS A 1 15 ? 3.025 -8.253 18.403 1.00 37.06 ? 356 LYS A CA 1 ATOM 117 C C . LYS A 1 15 ? 3.337 -6.985 17.601 1.00 36.73 ? 356 LYS A C 1 ATOM 118 O O . LYS A 1 15 ? 4.492 -6.568 17.543 1.00 37.94 ? 356 LYS A O 1 ATOM 119 C CB . LYS A 1 15 ? 2.684 -9.439 17.479 1.00 38.89 ? 356 LYS A CB 1 ATOM 120 C CG . LYS A 1 15 ? 3.467 -9.502 16.166 1.00 43.51 ? 356 LYS A CG 1 ATOM 121 C CD . LYS A 1 15 ? 4.684 -10.428 16.178 1.00 46.72 ? 356 LYS A CD 1 ATOM 122 C CE . LYS A 1 15 ? 4.363 -11.785 15.557 1.00 49.18 ? 356 LYS A CE 1 ATOM 123 N NZ . LYS A 1 15 ? 3.478 -11.652 14.352 1.00 50.53 ? 356 LYS A NZ 1 ATOM 124 N N . LYS A 1 16 ? 2.316 -6.353 17.017 1.00 36.33 ? 357 LYS A N 1 ATOM 125 C CA . LYS A 1 16 ? 2.528 -5.127 16.237 1.00 35.64 ? 357 LYS A CA 1 ATOM 126 C C . LYS A 1 16 ? 3.101 -4.006 17.091 1.00 36.60 ? 357 LYS A C 1 ATOM 127 O O . LYS A 1 16 ? 4.049 -3.335 16.688 1.00 37.57 ? 357 LYS A O 1 ATOM 128 C CB . LYS A 1 16 ? 1.229 -4.631 15.585 1.00 33.72 ? 357 LYS A CB 1 ATOM 129 C CG . LYS A 1 16 ? 1.403 -3.303 14.834 1.00 31.91 ? 357 LYS A CG 1 ATOM 130 C CD . LYS A 1 16 ? 0.202 -2.974 13.934 1.00 31.63 ? 357 LYS A CD 1 ATOM 131 C CE . LYS A 1 16 ? 0.224 -1.517 13.453 1.00 32.12 ? 357 LYS A CE 1 ATOM 132 N NZ . LYS A 1 16 ? -0.921 -1.148 12.559 1.00 30.56 ? 357 LYS A NZ 1 ATOM 133 N N . CYS A 1 17 ? 2.526 -3.803 18.274 1.00 35.97 ? 358 CYS A N 1 ATOM 134 C CA . CYS A 1 17 ? 2.996 -2.748 19.175 1.00 35.73 ? 358 CYS A CA 1 ATOM 135 C C . CYS A 1 17 ? 4.491 -2.898 19.527 1.00 35.02 ? 358 CYS A C 1 ATOM 136 O O . CYS A 1 17 ? 5.206 -1.899 19.626 1.00 34.77 ? 358 CYS A O 1 ATOM 137 C CB . CYS A 1 17 ? 2.164 -2.730 20.469 1.00 34.71 ? 358 CYS A CB 1 ATOM 138 S SG . CYS A 1 17 ? 2.642 -1.383 21.585 1.00 33.69 ? 358 CYS A SG 1 ATOM 139 N N . GLN A 1 18 ? 4.967 -4.130 19.713 0.50 34.71 ? 359 GLN A N 1 ATOM 140 C CA . GLN A 1 18 ? 6.376 -4.350 20.056 0.50 35.13 ? 359 GLN A CA 1 ATOM 141 C C . GLN A 1 18 ? 7.275 -3.980 18.881 0.50 35.78 ? 359 GLN A C 1 ATOM 142 O O . GLN A 1 18 ? 8.376 -3.453 19.068 0.50 34.59 ? 359 GLN A O 1 ATOM 143 C CB . GLN A 1 18 ? 6.609 -5.813 20.474 0.50 34.62 ? 359 GLN A CB 1 ATOM 144 C CG . GLN A 1 18 ? 6.223 -6.119 21.926 0.50 34.82 ? 359 GLN A CG 1 ATOM 145 C CD . GLN A 1 18 ? 5.927 -7.589 22.152 0.50 35.35 ? 359 GLN A CD 1 ATOM 146 O OE1 . GLN A 1 18 ? 5.550 -8.002 23.251 0.50 36.11 ? 359 GLN A OE1 1 ATOM 147 N NE2 . GLN A 1 18 ? 6.093 -8.389 21.107 0.50 35.02 ? 359 GLN A NE2 1 ATOM 148 N N . GLN A 1 19 ? 6.790 -4.251 17.671 1.00 37.39 ? 360 GLN A N 1 ATOM 149 C CA . GLN A 1 19 ? 7.532 -3.933 16.460 1.00 40.47 ? 360 GLN A CA 1 ATOM 150 C C . GLN A 1 19 ? 7.672 -2.424 16.413 1.00 41.27 ? 360 GLN A C 1 ATOM 151 O O . GLN A 1 19 ? 8.737 -1.877 16.115 1.00 42.34 ? 360 GLN A O 1 ATOM 152 C CB . GLN A 1 19 ? 6.765 -4.422 15.234 1.00 42.07 ? 360 GLN A CB 1 ATOM 153 C CG . GLN A 1 19 ? 6.561 -5.913 15.263 1.00 46.17 ? 360 GLN A CG 1 ATOM 154 C CD . GLN A 1 19 ? 6.186 -6.483 13.922 1.00 49.01 ? 360 GLN A CD 1 ATOM 155 O OE1 . GLN A 1 19 ? 5.360 -5.920 13.204 1.00 51.55 ? 360 GLN A OE1 1 ATOM 156 N NE2 . GLN A 1 19 ? 6.780 -7.620 13.576 1.00 51.15 ? 360 GLN A NE2 1 ATOM 157 N N . TRP A 1 20 ? 6.566 -1.754 16.713 1.00 41.12 ? 361 TRP A N 1 ATOM 158 C CA . TRP A 1 20 ? 6.503 -0.305 16.735 1.00 41.21 ? 361 TRP A CA 1 ATOM 159 C C . TRP A 1 20 ? 7.425 0.211 17.827 1.00 42.14 ? 361 TRP A C 1 ATOM 160 O O . TRP A 1 20 ? 8.007 1.289 17.708 1.00 43.46 ? 361 TRP A O 1 ATOM 161 C CB . TRP A 1 20 ? 5.075 0.134 17.026 1.00 40.62 ? 361 TRP A CB 1 ATOM 162 C CG . TRP A 1 20 ? 4.904 1.607 17.188 1.00 40.22 ? 361 TRP A CG 1 ATOM 163 C CD1 . TRP A 1 20 ? 5.717 2.582 16.694 1.00 40.79 ? 361 TRP A CD1 1 ATOM 164 C CD2 . TRP A 1 20 ? 3.827 2.278 17.855 1.00 40.51 ? 361 TRP A CD2 1 ATOM 165 N NE1 . TRP A 1 20 ? 5.223 3.822 17.019 1.00 42.09 ? 361 TRP A NE1 1 ATOM 166 C CE2 . TRP A 1 20 ? 4.069 3.667 17.740 1.00 41.01 ? 361 TRP A CE2 1 ATOM 167 C CE3 . TRP A 1 20 ? 2.697 1.845 18.561 1.00 40.66 ? 361 TRP A CE3 1 ATOM 168 C CZ2 . TRP A 1 20 ? 3.202 4.624 18.275 1.00 40.43 ? 361 TRP A CZ2 1 ATOM 169 C CZ3 . TRP A 1 20 ? 1.837 2.797 19.098 1.00 41.13 ? 361 TRP A CZ3 1 ATOM 170 C CH2 . TRP A 1 20 ? 2.103 4.173 18.963 1.00 41.28 ? 361 TRP A CH2 1 ATOM 171 N N . SER A 1 21 ? 7.570 -0.566 18.892 1.00 42.23 ? 362 SER A N 1 ATOM 172 C CA . SER A 1 21 ? 8.404 -0.148 20.007 1.00 42.80 ? 362 SER A CA 1 ATOM 173 C C . SER A 1 21 ? 9.878 -0.200 19.642 1.00 43.47 ? 362 SER A C 1 ATOM 174 O O . SER A 1 21 ? 10.618 0.769 19.826 1.00 42.99 ? 362 SER A O 1 ATOM 175 C CB . SER A 1 21 ? 8.108 -1.028 21.220 1.00 41.44 ? 362 SER A CB 1 ATOM 176 O OG . SER A 1 21 ? 8.780 -0.538 22.363 1.00 39.73 ? 362 SER A OG 1 ATOM 177 N N . GLN A 1 22 ? 10.269 -1.350 19.112 1.00 44.98 ? 363 GLN A N 1 ATOM 178 C CA . GLN A 1 22 ? 11.625 -1.609 18.666 1.00 47.17 ? 363 GLN A CA 1 ATOM 179 C C . GLN A 1 22 ? 12.078 -0.487 17.744 1.00 46.51 ? 363 GLN A C 1 ATOM 180 O O . GLN A 1 22 ? 13.141 0.105 17.925 1.00 45.94 ? 363 GLN A O 1 ATOM 181 C CB . GLN A 1 22 ? 11.635 -2.924 17.898 1.00 49.86 ? 363 GLN A CB 1 ATOM 182 C CG . GLN A 1 22 ? 12.832 -3.141 17.014 1.00 54.05 ? 363 GLN A CG 1 ATOM 183 C CD . GLN A 1 22 ? 12.990 -4.598 16.679 1.00 56.56 ? 363 GLN A CD 1 ATOM 184 O OE1 . GLN A 1 22 ? 12.005 -5.307 16.490 1.00 60.23 ? 363 GLN A OE1 1 ATOM 185 N NE2 . GLN A 1 22 ? 14.229 -5.057 16.593 1.00 59.28 ? 363 GLN A NE2 1 ATOM 186 N N . GLN A 1 23 ? 11.240 -0.226 16.742 1.00 46.47 ? 364 GLN A N 1 ATOM 187 C CA . GLN A 1 23 ? 11.454 0.799 15.718 1.00 46.68 ? 364 GLN A CA 1 ATOM 188 C C . GLN A 1 23 ? 11.444 2.242 16.213 1.00 46.32 ? 364 GLN A C 1 ATOM 189 O O . GLN A 1 23 ? 12.034 3.121 15.583 1.00 45.32 ? 364 GLN A O 1 ATOM 190 C CB . GLN A 1 23 ? 10.388 0.682 14.624 1.00 47.38 ? 364 GLN A CB 1 ATOM 191 C CG . GLN A 1 23 ? 10.430 -0.589 13.792 1.00 50.43 ? 364 GLN A CG 1 ATOM 192 C CD . GLN A 1 23 ? 11.810 -0.867 13.228 1.00 52.34 ? 364 GLN A CD 1 ATOM 193 O OE1 . GLN A 1 23 ? 12.325 -0.115 12.397 1.00 53.11 ? 364 GLN A OE1 1 ATOM 194 N NE2 . GLN A 1 23 ? 12.424 -1.951 13.691 1.00 53.54 ? 364 GLN A NE2 1 ATOM 195 N N . SER A 1 24 ? 10.765 2.486 17.330 1.00 46.20 ? 365 SER A N 1 ATOM 196 C CA . SER A 1 24 ? 10.641 3.829 17.903 1.00 46.01 ? 365 SER A CA 1 ATOM 197 C C . SER A 1 24 ? 11.774 4.225 18.833 1.00 46.72 ? 365 SER A C 1 ATOM 198 O O . SER A 1 24 ? 11.847 5.380 19.258 1.00 47.84 ? 365 SER A O 1 ATOM 199 C CB . SER A 1 24 ? 9.316 3.965 18.664 1.00 45.37 ? 365 SER A CB 1 ATOM 200 O OG . SER A 1 24 ? 9.401 3.462 19.995 1.00 44.49 ? 365 SER A OG 1 ATOM 201 N N . GLY A 1 25 ? 12.646 3.265 19.136 1.00 47.45 ? 366 GLY A N 1 ATOM 202 C CA . GLY A 1 25 ? 13.759 3.502 20.038 1.00 47.68 ? 366 GLY A CA 1 ATOM 203 C C . GLY A 1 25 ? 13.237 3.466 21.465 1.00 47.80 ? 366 GLY A C 1 ATOM 204 O O . GLY A 1 25 ? 13.779 4.088 22.369 1.00 47.01 ? 366 GLY A O 1 ATOM 205 N N . GLN A 1 26 ? 12.183 2.678 21.657 1.00 48.65 ? 367 GLN A N 1 ATOM 206 C CA . GLN A 1 26 ? 11.472 2.518 22.930 1.00 48.59 ? 367 GLN A CA 1 ATOM 207 C C . GLN A 1 26 ? 10.846 3.848 23.348 1.00 47.63 ? 367 GLN A C 1 ATOM 208 O O . GLN A 1 26 ? 10.538 4.057 24.524 1.00 47.50 ? 367 GLN A O 1 ATOM 209 C CB . GLN A 1 26 ? 12.381 1.965 24.049 1.00 50.09 ? 367 GLN A CB 1 ATOM 210 C CG . GLN A 1 26 ? 13.143 0.699 23.663 1.00 52.71 ? 367 GLN A CG 1 ATOM 211 C CD . GLN A 1 26 ? 12.649 -0.571 24.345 1.00 54.00 ? 367 GLN A CD 1 ATOM 212 O OE1 . GLN A 1 26 ? 11.996 -1.412 23.725 1.00 56.05 ? 367 GLN A OE1 1 ATOM 213 N NE2 . GLN A 1 26 ? 12.966 -0.716 25.624 1.00 54.77 ? 367 GLN A NE2 1 ATOM 214 N N . ASN A 1 27 ? 10.685 4.762 22.387 1.00 47.03 ? 368 ASN A N 1 ATOM 215 C CA . ASN A 1 27 ? 10.032 6.050 22.652 1.00 47.17 ? 368 ASN A CA 1 ATOM 216 C C . ASN A 1 27 ? 8.596 5.609 22.927 1.00 46.04 ? 368 ASN A C 1 ATOM 217 O O . ASN A 1 27 ? 7.851 6.221 23.702 1.00 45.60 ? 368 ASN A O 1 ATOM 218 C CB . ASN A 1 27 ? 10.060 6.950 21.416 1.00 48.74 ? 368 ASN A CB 1 ATOM 219 C CG . ASN A 1 27 ? 11.265 7.847 21.387 1.00 49.79 ? 368 ASN A CG 1 ATOM 220 O OD1 . ASN A 1 27 ? 12.092 7.812 22.274 1.00 50.10 ? 368 ASN A OD1 1 ATOM 221 N ND2 . ASN A 1 27 ? 11.376 8.662 20.355 1.00 50.73 ? 368 ASN A ND2 1 ATOM 222 N N . VAL A 1 28 ? 8.205 4.537 22.242 1.00 44.13 ? 369 VAL A N 1 ATOM 223 C CA . VAL A 1 28 ? 6.882 3.951 22.400 1.00 41.69 ? 369 VAL A CA 1 ATOM 224 C C . VAL A 1 28 ? 7.102 2.576 22.966 1.00 40.77 ? 369 VAL A C 1 ATOM 225 O O . VAL A 1 28 ? 7.914 1.788 22.460 1.00 40.37 ? 369 VAL A O 1 ATOM 226 C CB . VAL A 1 28 ? 6.135 3.836 21.062 1.00 41.09 ? 369 VAL A CB 1 ATOM 227 C CG1 . VAL A 1 28 ? 4.966 2.900 21.170 1.00 40.41 ? 369 VAL A CG1 1 ATOM 228 C CG2 . VAL A 1 28 ? 5.664 5.202 20.646 1.00 39.81 ? 369 VAL A CG2 1 ATOM 229 N N . THR A 1 29 ? 6.400 2.310 24.054 1.00 40.34 ? 370 THR A N 1 ATOM 230 C CA . THR A 1 29 ? 6.504 1.028 24.685 1.00 40.47 ? 370 THR A CA 1 ATOM 231 C C . THR A 1 29 ? 5.105 0.456 24.870 1.00 39.81 ? 370 THR A C 1 ATOM 232 O O . THR A 1 29 ? 4.093 1.165 24.803 1.00 39.40 ? 370 THR A O 1 ATOM 233 C CB . THR A 1 29 ? 7.311 1.139 25.987 1.00 40.23 ? 370 THR A CB 1 ATOM 234 O OG1 . THR A 1 29 ? 7.589 -0.173 26.466 1.00 44.65 ? 370 THR A OG1 1 ATOM 235 C CG2 . THR A 1 29 ? 6.587 1.924 27.014 1.00 40.96 ? 370 THR A CG2 1 ATOM 236 N N . CYS A 1 30 ? 5.051 -0.843 25.111 1.00 38.99 ? 371 CYS A N 1 ATOM 237 C CA . CYS A 1 30 ? 3.790 -1.550 25.188 1.00 37.54 ? 371 CYS A CA 1 ATOM 238 C C . CYS A 1 30 ? 3.314 -2.167 26.448 1.00 37.26 ? 371 CYS A C 1 ATOM 239 O O . CYS A 1 30 ? 4.102 -2.632 27.253 1.00 39.08 ? 371 CYS A O 1 ATOM 240 C CB . CYS A 1 30 ? 3.799 -2.653 24.144 1.00 35.23 ? 371 CYS A CB 1 ATOM 241 S SG . CYS A 1 30 ? 4.334 -2.057 22.498 1.00 36.83 ? 371 CYS A SG 1 ATOM 242 N N . ALA A 1 31 ? 1.995 -2.196 26.580 1.00 35.01 ? 372 ALA A N 1 ATOM 243 C CA . ALA A 1 31 ? 1.354 -2.889 27.675 1.00 32.67 ? 372 ALA A CA 1 ATOM 244 C C . ALA A 1 31 ? 0.191 -3.568 26.935 1.00 31.60 ? 372 ALA A C 1 ATOM 245 O O . ALA A 1 31 ? -0.376 -2.999 25.984 1.00 31.23 ? 372 ALA A O 1 ATOM 246 C CB . ALA A 1 31 ? 0.836 -1.941 28.733 1.00 30.93 ? 372 ALA A CB 1 ATOM 247 N N . THR A 1 32 ? -0.129 -4.798 27.331 1.00 29.82 ? 373 THR A N 1 ATOM 248 C CA . THR A 1 32 ? -1.203 -5.576 26.716 1.00 30.11 ? 373 THR A CA 1 ATOM 249 C C . THR A 1 32 ? -2.261 -5.957 27.741 1.00 28.90 ? 373 THR A C 1 ATOM 250 O O . THR A 1 32 ? -1.962 -6.159 28.925 1.00 28.59 ? 373 THR A O 1 ATOM 251 C CB . THR A 1 32 ? -0.678 -6.888 26.129 1.00 30.37 ? 373 THR A CB 1 ATOM 252 O OG1 . THR A 1 32 ? 0.507 -6.622 25.385 1.00 33.61 ? 373 THR A OG1 1 ATOM 253 C CG2 . THR A 1 32 ? -1.718 -7.532 25.199 1.00 31.06 ? 373 THR A CG2 1 ATOM 254 N N . ALA A 1 33 ? -3.497 -6.044 27.262 1.00 27.75 ? 374 ALA A N 1 ATOM 255 C CA . ALA A 1 33 ? -4.642 -6.430 28.075 1.00 27.19 ? 374 ALA A CA 1 ATOM 256 C C . ALA A 1 33 ? -5.522 -7.219 27.114 1.00 26.25 ? 374 ALA A C 1 ATOM 257 O O . ALA A 1 33 ? -5.402 -7.075 25.890 1.00 27.41 ? 374 ALA A O 1 ATOM 258 C CB . ALA A 1 33 ? -5.387 -5.211 28.595 1.00 25.74 ? 374 ALA A CB 1 ATOM 259 N N . SER A 1 34 ? -6.392 -8.058 27.660 1.00 25.02 ? 375 SER A N 1 ATOM 260 C CA . SER A 1 34 ? -7.274 -8.882 26.841 1.00 25.14 ? 375 SER A CA 1 ATOM 261 C C . SER A 1 34 ? -8.466 -8.152 26.238 1.00 23.86 ? 375 SER A C 1 ATOM 262 O O . SER A 1 34 ? -9.094 -8.657 25.314 1.00 24.12 ? 375 SER A O 1 ATOM 263 C CB . SER A 1 34 ? -7.813 -10.060 27.654 1.00 27.92 ? 375 SER A CB 1 ATOM 264 O OG . SER A 1 34 ? -6.794 -10.997 27.955 1.00 32.27 ? 375 SER A OG 1 ATOM 265 N N . THR A 1 35 ? -8.807 -6.982 26.754 1.00 21.51 ? 376 THR A N 1 ATOM 266 C CA . THR A 1 35 ? -9.946 -6.284 26.199 1.00 22.04 ? 376 THR A CA 1 ATOM 267 C C . THR A 1 35 ? -9.714 -4.800 26.229 1.00 23.35 ? 376 THR A C 1 ATOM 268 O O . THR A 1 35 ? -8.870 -4.317 26.980 1.00 25.13 ? 376 THR A O 1 ATOM 269 C CB . THR A 1 35 ? -11.244 -6.590 26.980 1.00 19.96 ? 376 THR A CB 1 ATOM 270 O OG1 . THR A 1 35 ? -11.205 -5.954 28.258 1.00 18.29 ? 376 THR A OG1 1 ATOM 271 C CG2 . THR A 1 35 ? -11.402 -8.065 27.182 1.00 17.47 ? 376 THR A CG2 1 ATOM 272 N N . THR A 1 36 ? -10.463 -4.075 25.406 1.00 24.09 ? 377 THR A N 1 ATOM 273 C CA . THR A 1 36 ? -10.333 -2.636 25.344 1.00 24.29 ? 377 THR A CA 1 ATOM 274 C C . THR A 1 36 ? -10.647 -2.062 26.719 1.00 24.89 ? 377 THR A C 1 ATOM 275 O O . THR A 1 36 ? -9.892 -1.232 27.211 1.00 24.81 ? 377 THR A O 1 ATOM 276 C CB . THR A 1 36 ? -11.266 -2.040 24.240 1.00 24.56 ? 377 THR A CB 1 ATOM 277 O OG1 . THR A 1 36 ? -10.930 -2.640 22.987 1.00 25.07 ? 377 THR A OG1 1 ATOM 278 C CG2 . THR A 1 36 ? -11.077 -0.525 24.107 1.00 23.74 ? 377 THR A CG2 1 ATOM 279 N N . ASP A 1 37 ? -11.733 -2.518 27.349 1.00 25.82 ? 378 ASP A N 1 ATOM 280 C CA . ASP A 1 37 ? -12.103 -2.021 28.678 1.00 27.41 ? 378 ASP A CA 1 ATOM 281 C C . ASP A 1 37 ? -10.914 -2.161 29.641 1.00 26.69 ? 378 ASP A C 1 ATOM 282 O O . ASP A 1 37 ? -10.635 -1.242 30.418 1.00 26.80 ? 378 ASP A O 1 ATOM 283 C CB . ASP A 1 37 ? -13.321 -2.778 29.240 1.00 29.02 ? 378 ASP A CB 1 ATOM 284 C CG . ASP A 1 37 ? -14.645 -2.268 28.686 1.00 32.27 ? 378 ASP A CG 1 ATOM 285 O OD1 . ASP A 1 37 ? -14.665 -1.216 28.016 1.00 32.56 ? 378 ASP A OD1 1 ATOM 286 O OD2 . ASP A 1 37 ? -15.677 -2.919 28.928 1.00 35.15 ? 378 ASP A OD2 1 ATOM 287 N N . ASP A 1 38 ? -10.225 -3.303 29.592 1.00 26.41 ? 379 ASP A N 1 ATOM 288 C CA . ASP A 1 38 ? -9.067 -3.521 30.448 1.00 27.70 ? 379 ASP A CA 1 ATOM 289 C C . ASP A 1 38 ? -7.970 -2.519 30.102 1.00 27.13 ? 379 ASP A C 1 ATOM 290 O O . ASP A 1 38 ? -7.285 -2.018 30.997 1.00 29.22 ? 379 ASP A O 1 ATOM 291 C CB . ASP A 1 38 ? -8.549 -4.950 30.300 1.00 29.82 ? 379 ASP A CB 1 ATOM 292 C CG . ASP A 1 38 ? -9.307 -5.927 31.176 1.00 32.82 ? 379 ASP A CG 1 ATOM 293 O OD1 . ASP A 1 38 ? -10.288 -5.502 31.831 1.00 35.01 ? 379 ASP A OD1 1 ATOM 294 O OD2 . ASP A 1 38 ? -8.934 -7.114 31.211 1.00 33.66 ? 379 ASP A OD2 1 ATOM 295 N N . CYS A 1 39 ? -7.786 -2.226 28.813 1.00 25.68 ? 380 CYS A N 1 ATOM 296 C CA . CYS A 1 39 ? -6.787 -1.245 28.411 1.00 24.71 ? 380 CYS A CA 1 ATOM 297 C C . CYS A 1 39 ? -7.221 0.124 28.957 1.00 24.83 ? 380 CYS A C 1 ATOM 298 O O . CYS A 1 39 ? -6.373 0.922 29.326 1.00 26.66 ? 380 CYS A O 1 ATOM 299 C CB . CYS A 1 39 ? -6.640 -1.188 26.873 1.00 26.82 ? 380 CYS A CB 1 ATOM 300 S SG . CYS A 1 39 ? -5.230 -2.140 26.201 1.00 25.48 ? 380 CYS A SG 1 ATOM 301 N N . ILE A 1 40 ? -8.531 0.414 29.004 1.00 24.45 ? 381 ILE A N 1 ATOM 302 C CA . ILE A 1 40 ? -9.025 1.696 29.559 1.00 25.07 ? 381 ILE A CA 1 ATOM 303 C C . ILE A 1 40 ? -8.577 1.697 31.037 1.00 25.32 ? 381 ILE A C 1 ATOM 304 O O . ILE A 1 40 ? -8.136 2.730 31.563 1.00 26.85 ? 381 ILE A O 1 ATOM 305 C CB . ILE A 1 40 ? -10.602 1.837 29.620 1.00 25.97 ? 381 ILE A CB 1 ATOM 306 C CG1 . ILE A 1 40 ? -11.248 1.569 28.255 1.00 26.88 ? 381 ILE A CG1 1 ATOM 307 C CG2 . ILE A 1 40 ? -10.986 3.226 30.156 1.00 23.17 ? 381 ILE A CG2 1 ATOM 308 C CD1 . ILE A 1 40 ? -10.931 2.551 27.205 1.00 25.60 ? 381 ILE A CD1 1 ATOM 309 N N . VAL A 1 41 ? -8.711 0.552 31.722 1.00 24.80 ? 382 VAL A N 1 ATOM 310 C CA . VAL A 1 41 ? -8.332 0.451 33.147 1.00 24.62 ? 382 VAL A CA 1 ATOM 311 C C . VAL A 1 41 ? -6.817 0.699 33.336 1.00 24.38 ? 382 VAL A C 1 ATOM 312 O O . VAL A 1 41 ? -6.438 1.508 34.176 1.00 23.65 ? 382 VAL A O 1 ATOM 313 C CB . VAL A 1 41 ? -8.776 -0.937 33.799 1.00 25.61 ? 382 VAL A CB 1 ATOM 314 C CG1 . VAL A 1 41 ? -8.153 -1.102 35.185 1.00 24.86 ? 382 VAL A CG1 1 ATOM 315 C CG2 . VAL A 1 41 ? -10.315 -0.992 33.978 1.00 24.40 ? 382 VAL A CG2 1 ATOM 316 N N . LEU A 1 42 ? -5.950 0.053 32.551 1.00 24.23 ? 383 LEU A N 1 ATOM 317 C CA . LEU A 1 42 ? -4.498 0.282 32.708 1.00 25.10 ? 383 LEU A CA 1 ATOM 318 C C . LEU A 1 42 ? -4.133 1.770 32.537 1.00 25.61 ? 383 LEU A C 1 ATOM 319 O O . LEU A 1 42 ? -3.191 2.251 33.190 1.00 26.32 ? 383 LEU A O 1 ATOM 320 C CB . LEU A 1 42 ? -3.659 -0.536 31.711 1.00 24.33 ? 383 LEU A CB 1 ATOM 321 C CG . LEU A 1 42 ? -3.664 -2.068 31.715 1.00 25.32 ? 383 LEU A CG 1 ATOM 322 C CD1 . LEU A 1 42 ? -2.550 -2.550 30.788 1.00 26.42 ? 383 LEU A CD1 1 ATOM 323 C CD2 . LEU A 1 42 ? -3.429 -2.623 33.119 1.00 25.45 ? 383 LEU A CD2 1 ATOM 324 N N . VAL A 1 43 ? -4.851 2.490 31.661 1.00 24.45 ? 384 VAL A N 1 ATOM 325 C CA . VAL A 1 43 ? -4.585 3.915 31.437 1.00 24.70 ? 384 VAL A CA 1 ATOM 326 C C . VAL A 1 43 ? -5.092 4.692 32.663 1.00 25.94 ? 384 VAL A C 1 ATOM 327 O O . VAL A 1 43 ? -4.398 5.560 33.186 1.00 27.27 ? 384 VAL A O 1 ATOM 328 C CB . VAL A 1 43 ? -5.252 4.437 30.118 1.00 25.38 ? 384 VAL A CB 1 ATOM 329 C CG1 . VAL A 1 43 ? -4.993 5.946 29.963 1.00 23.83 ? 384 VAL A CG1 1 ATOM 330 C CG2 . VAL A 1 43 ? -4.661 3.680 28.915 1.00 24.72 ? 384 VAL A CG2 1 ATOM 331 N N . LEU A 1 44 ? -6.302 4.382 33.126 1.00 26.54 ? 385 LEU A N 1 ATOM 332 C CA . LEU A 1 44 ? -6.840 5.032 34.320 1.00 26.26 ? 385 LEU A CA 1 ATOM 333 C C . LEU A 1 44 ? -5.799 4.834 35.438 1.00 26.30 ? 385 LEU A C 1 ATOM 334 O O . LEU A 1 44 ? -5.436 5.781 36.130 1.00 27.03 ? 385 LEU A O 1 ATOM 335 C CB . LEU A 1 44 ? -8.176 4.396 34.738 1.00 26.11 ? 385 LEU A CB 1 ATOM 336 C CG . LEU A 1 44 ? -9.388 4.654 33.828 1.00 27.50 ? 385 LEU A CG 1 ATOM 337 C CD1 . LEU A 1 44 ? -10.669 3.987 34.374 1.00 24.27 ? 385 LEU A CD1 1 ATOM 338 C CD2 . LEU A 1 44 ? -9.589 6.164 33.739 1.00 25.96 ? 385 LEU A CD2 1 ATOM 339 N N . LYS A 1 45 ? -5.304 3.609 35.616 1.00 27.04 ? 386 LYS A N 1 ATOM 340 C CA . LYS A 1 45 ? -4.329 3.359 36.683 1.00 27.40 ? 386 LYS A CA 1 ATOM 341 C C . LYS A 1 45 ? -2.984 4.041 36.461 1.00 28.44 ? 386 LYS A C 1 ATOM 342 O O . LYS A 1 45 ? -2.200 4.178 37.390 1.00 29.81 ? 386 LYS A O 1 ATOM 343 C CB . LYS A 1 45 ? -4.111 1.853 36.891 1.00 27.48 ? 386 LYS A CB 1 ATOM 344 C CG . LYS A 1 45 ? -5.311 1.108 37.465 1.00 25.86 ? 386 LYS A CG 1 ATOM 345 C CD . LYS A 1 45 ? -4.921 -0.310 37.908 1.00 26.31 ? 386 LYS A CD 1 ATOM 346 C CE . LYS A 1 45 ? -4.629 -1.259 36.751 1.00 25.73 ? 386 LYS A CE 1 ATOM 347 N NZ . LYS A 1 45 ? -4.036 -2.515 37.260 1.00 24.81 ? 386 LYS A NZ 1 ATOM 348 N N . GLY A 1 46 ? -2.723 4.475 35.234 1.00 28.41 ? 387 GLY A N 1 ATOM 349 C CA . GLY A 1 46 ? -1.467 5.132 34.958 1.00 28.38 ? 387 GLY A CA 1 ATOM 350 C C . GLY A 1 46 ? -0.419 4.133 34.514 1.00 30.17 ? 387 GLY A C 1 ATOM 351 O O . GLY A 1 46 ? 0.753 4.500 34.363 1.00 30.78 ? 387 GLY A O 1 ATOM 352 N N . GLU A 1 47 ? -0.835 2.881 34.302 1.00 30.07 ? 388 GLU A N 1 ATOM 353 C CA . GLU A 1 47 ? 0.084 1.829 33.866 1.00 30.67 ? 388 GLU A CA 1 ATOM 354 C C . GLU A 1 47 ? 0.234 1.784 32.350 1.00 30.76 ? 388 GLU A C 1 ATOM 355 O O . GLU A 1 47 ? 1.072 1.056 31.813 1.00 32.59 ? 388 GLU A O 1 ATOM 356 C CB . GLU A 1 47 ? -0.347 0.462 34.432 1.00 30.88 ? 388 GLU A CB 1 ATOM 357 C CG . GLU A 1 47 ? -0.201 0.379 35.954 1.00 29.58 ? 388 GLU A CG 1 ATOM 358 C CD . GLU A 1 47 ? -0.948 -0.801 36.535 1.00 31.37 ? 388 GLU A CD 1 ATOM 359 O OE1 . GLU A 1 47 ? -1.565 -0.613 37.600 1.00 32.24 ? 388 GLU A OE1 1 ATOM 360 O OE2 . GLU A 1 47 ? -0.923 -1.902 35.939 1.00 29.78 ? 388 GLU A OE2 1 ATOM 361 N N . ALA A 1 48 ? -0.624 2.518 31.652 1.00 29.07 ? 389 ALA A N 1 ATOM 362 C CA . ALA A 1 48 ? -0.488 2.685 30.205 1.00 28.61 ? 389 ALA A CA 1 ATOM 363 C C . ALA A 1 48 ? -0.914 4.130 30.002 1.00 29.12 ? 389 ALA A C 1 ATOM 364 O O . ALA A 1 48 ? -1.607 4.717 30.845 1.00 29.54 ? 389 ALA A O 1 ATOM 365 C CB . ALA A 1 48 ? -1.375 1.761 29.393 1.00 28.11 ? 389 ALA A CB 1 ATOM 366 N N . ASP A 1 49 ? -0.458 4.735 28.913 1.00 28.68 ? 390 ASP A N 1 ATOM 367 C CA . ASP A 1 49 ? -0.769 6.141 28.623 1.00 28.92 ? 390 ASP A CA 1 ATOM 368 C C . ASP A 1 49 ? -1.889 6.331 27.625 1.00 27.93 ? 390 ASP A C 1 ATOM 369 O O . ASP A 1 49 ? -2.636 7.318 27.698 1.00 27.61 ? 390 ASP A O 1 ATOM 370 C CB . ASP A 1 49 ? 0.408 6.882 27.994 1.00 29.85 ? 390 ASP A CB 1 ATOM 371 C CG . ASP A 1 49 ? 1.620 6.963 28.883 1.00 34.22 ? 390 ASP A CG 1 ATOM 372 O OD1 . ASP A 1 49 ? 1.447 7.300 30.069 1.00 34.85 ? 390 ASP A OD1 1 ATOM 373 O OD2 . ASP A 1 49 ? 2.750 6.721 28.381 1.00 33.75 ? 390 ASP A OD2 1 ATOM 374 N N . ALA A 1 50 ? -2.034 5.390 26.699 1.00 26.23 ? 391 ALA A N 1 ATOM 375 C CA . ALA A 1 50 ? -2.980 5.625 25.644 1.00 25.24 ? 391 ALA A CA 1 ATOM 376 C C . ALA A 1 50 ? -3.267 4.411 24.790 1.00 24.74 ? 391 ALA A C 1 ATOM 377 O O . ALA A 1 50 ? -2.588 3.391 24.881 1.00 26.37 ? 391 ALA A O 1 ATOM 378 C CB . ALA A 1 50 ? -2.409 6.744 24.761 1.00 23.72 ? 391 ALA A CB 1 ATOM 379 N N . LEU A 1 51 ? -4.251 4.595 23.916 1.00 24.44 ? 392 LEU A N 1 ATOM 380 C CA . LEU A 1 51 ? -4.704 3.634 22.919 1.00 24.30 ? 392 LEU A CA 1 ATOM 381 C C . LEU A 1 51 ? -5.732 4.360 22.040 1.00 24.67 ? 392 LEU A C 1 ATOM 382 O O . LEU A 1 51 ? -6.270 5.405 22.426 1.00 26.31 ? 392 LEU A O 1 ATOM 383 C CB . LEU A 1 51 ? -5.338 2.389 23.564 1.00 23.30 ? 392 LEU A CB 1 ATOM 384 C CG . LEU A 1 51 ? -6.756 2.436 24.125 1.00 24.03 ? 392 LEU A CG 1 ATOM 385 C CD1 . LEU A 1 51 ? -7.275 1.007 24.119 1.00 24.83 ? 392 LEU A CD1 1 ATOM 386 C CD2 . LEU A 1 51 ? -6.793 3.032 25.539 1.00 24.55 ? 392 LEU A CD2 1 ATOM 387 N N . ASN A 1 52 ? -5.986 3.810 20.858 1.00 24.90 ? 393 ASN A N 1 ATOM 388 C CA . ASN A 1 52 ? -6.912 4.381 19.890 1.00 24.90 ? 393 ASN A CA 1 ATOM 389 C C . ASN A 1 52 ? -8.223 3.631 20.053 1.00 25.12 ? 393 ASN A C 1 ATOM 390 O O . ASN A 1 52 ? -8.213 2.412 20.132 1.00 26.35 ? 393 ASN A O 1 ATOM 391 C CB . ASN A 1 52 ? -6.288 4.200 18.507 1.00 24.29 ? 393 ASN A CB 1 ATOM 392 C CG . ASN A 1 52 ? -7.152 4.707 17.402 1.00 24.43 ? 393 ASN A CG 1 ATOM 393 O OD1 . ASN A 1 52 ? -7.531 3.952 16.508 1.00 25.79 ? 393 ASN A OD1 1 ATOM 394 N ND2 . ASN A 1 52 ? -7.478 5.987 17.444 1.00 23.60 ? 393 ASN A ND2 1 ATOM 395 N N . LEU A 1 53 ? -9.344 4.349 20.063 1.00 25.31 ? 394 LEU A N 1 ATOM 396 C CA . LEU A 1 53 ? -10.633 3.716 20.351 1.00 25.74 ? 394 LEU A CA 1 ATOM 397 C C . LEU A 1 53 ? -11.831 4.015 19.498 1.00 24.29 ? 394 LEU A C 1 ATOM 398 O O . LEU A 1 53 ? -11.984 5.130 19.025 1.00 24.49 ? 394 LEU A O 1 ATOM 399 C CB . LEU A 1 53 ? -11.068 4.095 21.751 1.00 26.59 ? 394 LEU A CB 1 ATOM 400 C CG . LEU A 1 53 ? -10.299 3.908 23.060 1.00 28.07 ? 394 LEU A CG 1 ATOM 401 C CD1 . LEU A 1 53 ? -11.120 4.395 24.258 1.00 29.55 ? 394 LEU A CD1 1 ATOM 402 C CD2 . LEU A 1 53 ? -10.008 2.459 23.229 1.00 26.13 ? 394 LEU A CD2 1 ATOM 403 N N . ASP A 1 54 ? -12.723 3.046 19.370 1.00 25.07 ? 395 ASP A N 1 ATOM 404 C CA . ASP A 1 54 ? -13.949 3.282 18.629 1.00 25.65 ? 395 ASP A CA 1 ATOM 405 C C . ASP A 1 54 ? -14.763 4.237 19.528 1.00 25.59 ? 395 ASP A C 1 ATOM 406 O O . ASP A 1 54 ? -14.544 4.304 20.754 1.00 25.58 ? 395 ASP A O 1 ATOM 407 C CB . ASP A 1 54 ? -14.718 1.980 18.456 1.00 24.73 ? 395 ASP A CB 1 ATOM 408 C CG . ASP A 1 54 ? -16.163 2.217 18.107 1.00 27.22 ? 395 ASP A CG 1 ATOM 409 O OD1 . ASP A 1 54 ? -16.448 2.492 16.927 1.00 30.61 ? 395 ASP A OD1 1 ATOM 410 O OD2 . ASP A 1 54 ? -17.018 2.146 19.011 1.00 24.77 ? 395 ASP A OD2 1 ATOM 411 N N . GLY A 1 55 ? -15.709 4.951 18.921 1.00 25.62 ? 396 GLY A N 1 ATOM 412 C CA . GLY A 1 55 ? -16.549 5.890 19.646 1.00 26.24 ? 396 GLY A CA 1 ATOM 413 C C . GLY A 1 55 ? -17.234 5.344 20.883 1.00 25.86 ? 396 GLY A C 1 ATOM 414 O O . GLY A 1 55 ? -17.344 6.039 21.889 1.00 27.68 ? 396 GLY A O 1 ATOM 415 N N . GLY A 1 56 ? -17.715 4.112 20.814 1.00 26.10 ? 397 GLY A N 1 ATOM 416 C CA . GLY A 1 56 ? -18.384 3.529 21.960 1.00 26.47 ? 397 GLY A CA 1 ATOM 417 C C . GLY A 1 56 ? -17.446 3.339 23.136 1.00 27.17 ? 397 GLY A C 1 ATOM 418 O O . GLY A 1 56 ? -17.862 3.442 24.293 1.00 27.26 ? 397 GLY A O 1 ATOM 419 N N . TYR A 1 57 ? -16.170 3.071 22.864 1.00 26.18 ? 398 TYR A N 1 ATOM 420 C CA . TYR A 1 57 ? -15.231 2.887 23.959 1.00 26.72 ? 398 TYR A CA 1 ATOM 421 C C . TYR A 1 57 ? -14.792 4.258 24.445 1.00 26.83 ? 398 TYR A C 1 ATOM 422 O O . TYR A 1 57 ? -14.460 4.417 25.614 1.00 28.15 ? 398 TYR A O 1 ATOM 423 C CB . TYR A 1 57 ? -14.013 2.028 23.547 1.00 28.62 ? 398 TYR A CB 1 ATOM 424 C CG . TYR A 1 57 ? -14.298 0.560 23.170 1.00 28.52 ? 398 TYR A CG 1 ATOM 425 C CD1 . TYR A 1 57 ? -15.076 -0.286 23.980 1.00 29.16 ? 398 TYR A CD1 1 ATOM 426 C CD2 . TYR A 1 57 ? -13.707 0.005 22.035 1.00 27.39 ? 398 TYR A CD2 1 ATOM 427 C CE1 . TYR A 1 57 ? -15.265 -1.665 23.634 1.00 28.58 ? 398 TYR A CE1 1 ATOM 428 C CE2 . TYR A 1 57 ? -13.884 -1.340 21.687 1.00 28.36 ? 398 TYR A CE2 1 ATOM 429 C CZ . TYR A 1 57 ? -14.647 -2.174 22.486 1.00 28.74 ? 398 TYR A CZ 1 ATOM 430 O OH . TYR A 1 57 ? -14.787 -3.487 22.081 1.00 26.81 ? 398 TYR A OH 1 ATOM 431 N N . ILE A 1 58 ? -14.807 5.247 23.550 1.00 27.41 ? 399 ILE A N 1 ATOM 432 C CA . ILE A 1 58 ? -14.448 6.618 23.901 1.00 28.00 ? 399 ILE A CA 1 ATOM 433 C C . ILE A 1 58 ? -15.490 7.069 24.922 1.00 29.42 ? 399 ILE A C 1 ATOM 434 O O . ILE A 1 58 ? -15.181 7.770 25.886 1.00 29.98 ? 399 ILE A O 1 ATOM 435 C CB . ILE A 1 58 ? -14.533 7.580 22.693 1.00 27.56 ? 399 ILE A CB 1 ATOM 436 C CG1 . ILE A 1 58 ? -13.328 7.384 21.778 1.00 28.15 ? 399 ILE A CG1 1 ATOM 437 C CG2 . ILE A 1 58 ? -14.579 9.029 23.183 1.00 27.01 ? 399 ILE A CG2 1 ATOM 438 C CD1 . ILE A 1 58 ? -13.352 8.285 20.539 1.00 26.42 ? 399 ILE A CD1 1 ATOM 439 N N . TYR A 1 59 ? -16.744 6.682 24.704 1.00 29.99 ? 400 TYR A N 1 ATOM 440 C CA . TYR A 1 59 ? -17.801 7.063 25.622 1.00 30.43 ? 400 TYR A CA 1 ATOM 441 C C . TYR A 1 59 ? -17.443 6.495 27.009 1.00 30.51 ? 400 TYR A C 1 ATOM 442 O O . TYR A 1 59 ? -17.416 7.238 27.995 1.00 32.01 ? 400 TYR A O 1 ATOM 443 C CB . TYR A 1 59 ? -19.126 6.499 25.131 1.00 30.64 ? 400 TYR A CB 1 ATOM 444 C CG . TYR A 1 59 ? -20.234 6.727 26.107 1.00 31.14 ? 400 TYR A CG 1 ATOM 445 C CD1 . TYR A 1 59 ? -20.954 7.916 26.110 1.00 32.43 ? 400 TYR A CD1 1 ATOM 446 C CD2 . TYR A 1 59 ? -20.581 5.742 27.017 1.00 32.04 ? 400 TYR A CD2 1 ATOM 447 C CE1 . TYR A 1 59 ? -21.988 8.120 27.004 1.00 33.35 ? 400 TYR A CE1 1 ATOM 448 C CE2 . TYR A 1 59 ? -21.611 5.929 27.915 1.00 34.68 ? 400 TYR A CE2 1 ATOM 449 C CZ . TYR A 1 59 ? -22.321 7.122 27.900 1.00 35.17 ? 400 TYR A CZ 1 ATOM 450 O OH . TYR A 1 59 ? -23.367 7.327 28.782 1.00 39.60 ? 400 TYR A OH 1 ATOM 451 N N . THR A 1 60 ? -17.170 5.184 27.080 1.00 29.56 ? 401 THR A N 1 ATOM 452 C CA . THR A 1 60 ? -16.775 4.505 28.324 1.00 29.57 ? 401 THR A CA 1 ATOM 453 C C . THR A 1 60 ? -15.508 5.190 28.872 1.00 29.31 ? 401 THR A C 1 ATOM 454 O O . THR A 1 60 ? -15.436 5.519 30.049 1.00 29.21 ? 401 THR A O 1 ATOM 455 C CB . THR A 1 60 ? -16.433 3.008 28.079 1.00 29.84 ? 401 THR A CB 1 ATOM 456 O OG1 . THR A 1 60 ? -17.605 2.300 27.683 1.00 31.66 ? 401 THR A OG1 1 ATOM 457 C CG2 . THR A 1 60 ? -15.882 2.347 29.340 1.00 31.27 ? 401 THR A CG2 1 ATOM 458 N N . ALA A 1 61 ? -14.501 5.397 28.024 1.00 28.85 ? 402 ALA A N 1 ATOM 459 C CA . ALA A 1 61 ? -13.258 6.043 28.463 1.00 28.78 ? 402 ALA A CA 1 ATOM 460 C C . ALA A 1 61 ? -13.515 7.446 29.055 1.00 29.49 ? 402 ALA A C 1 ATOM 461 O O . ALA A 1 61 ? -12.998 7.786 30.128 1.00 28.29 ? 402 ALA A O 1 ATOM 462 C CB . ALA A 1 61 ? -12.271 6.134 27.286 1.00 27.25 ? 402 ALA A CB 1 ATOM 463 N N . GLY A 1 62 ? -14.314 8.242 28.341 1.00 29.58 ? 403 GLY A N 1 ATOM 464 C CA . GLY A 1 62 ? -14.646 9.590 28.770 1.00 31.16 ? 403 GLY A CA 1 ATOM 465 C C . GLY A 1 62 ? -15.389 9.669 30.092 1.00 32.49 ? 403 GLY A C 1 ATOM 466 O O . GLY A 1 62 ? -15.155 10.590 30.875 1.00 32.66 ? 403 GLY A O 1 ATOM 467 N N . LYS A 1 63 ? -16.306 8.741 30.344 1.00 33.25 ? 404 LYS A N 1 ATOM 468 C CA . LYS A 1 63 ? -17.030 8.777 31.610 1.00 35.56 ? 404 LYS A CA 1 ATOM 469 C C . LYS A 1 63 ? -16.051 8.521 32.757 1.00 34.95 ? 404 LYS A C 1 ATOM 470 O O . LYS A 1 63 ? -16.333 8.868 33.901 1.00 34.96 ? 404 LYS A O 1 ATOM 471 C CB . LYS A 1 63 ? -18.166 7.746 31.631 1.00 37.18 ? 404 LYS A CB 1 ATOM 472 C CG . LYS A 1 63 ? -19.379 8.179 30.812 1.00 39.07 ? 404 LYS A CG 1 ATOM 473 C CD . LYS A 1 63 ? -20.679 7.837 31.510 1.00 42.17 ? 404 LYS A CD 1 ATOM 474 C CE . LYS A 1 63 ? -21.795 8.792 31.115 1.00 44.37 ? 404 LYS A CE 1 ATOM 475 N NZ . LYS A 1 63 ? -22.950 8.656 32.054 1.00 46.16 ? 404 LYS A NZ 1 ATOM 476 N N . CYS A 1 64 ? -14.897 7.928 32.450 1.00 34.67 ? 405 CYS A N 1 ATOM 477 C CA . CYS A 1 64 ? -13.893 7.665 33.473 1.00 36.05 ? 405 CYS A CA 1 ATOM 478 C C . CYS A 1 64 ? -12.875 8.791 33.511 1.00 33.30 ? 405 CYS A C 1 ATOM 479 O O . CYS A 1 64 ? -11.890 8.722 34.253 1.00 33.16 ? 405 CYS A O 1 ATOM 480 C CB . CYS A 1 64 ? -13.188 6.329 33.214 1.00 40.31 ? 405 CYS A CB 1 ATOM 481 S SG . CYS A 1 64 ? -14.320 4.914 33.430 1.00 49.08 ? 405 CYS A SG 1 ATOM 482 N N . GLY A 1 65 ? -13.103 9.824 32.708 1.00 31.25 ? 406 GLY A N 1 ATOM 483 C CA . GLY A 1 65 ? -12.176 10.937 32.699 1.00 30.58 ? 406 GLY A CA 1 ATOM 484 C C . GLY A 1 65 ? -11.101 10.944 31.625 1.00 29.90 ? 406 GLY A C 1 ATOM 485 O O . GLY A 1 65 ? -10.310 11.887 31.579 1.00 30.67 ? 406 GLY A O 1 ATOM 486 N N . LEU A 1 66 ? -11.032 9.917 30.783 1.00 28.78 ? 407 LEU A N 1 ATOM 487 C CA . LEU A 1 66 ? -10.009 9.937 29.748 1.00 27.29 ? 407 LEU A CA 1 ATOM 488 C C . LEU A 1 66 ? -10.432 10.976 28.709 1.00 27.85 ? 407 LEU A C 1 ATOM 489 O O . LEU A 1 66 ? -11.626 11.276 28.555 1.00 28.81 ? 407 LEU A O 1 ATOM 490 C CB . LEU A 1 66 ? -9.821 8.532 29.132 1.00 26.82 ? 407 LEU A CB 1 ATOM 491 C CG . LEU A 1 66 ? -9.404 7.446 30.144 1.00 26.18 ? 407 LEU A CG 1 ATOM 492 C CD1 . LEU A 1 66 ? -8.798 6.308 29.362 1.00 24.12 ? 407 LEU A CD1 1 ATOM 493 C CD2 . LEU A 1 66 ? -8.370 7.951 31.150 1.00 26.13 ? 407 LEU A CD2 1 ATOM 494 N N . VAL A 1 67 ? -9.465 11.550 28.010 1.00 26.43 ? 408 VAL A N 1 ATOM 495 C CA . VAL A 1 67 ? -9.777 12.572 27.034 1.00 26.68 ? 408 VAL A CA 1 ATOM 496 C C . VAL A 1 67 ? -9.226 12.267 25.649 1.00 27.62 ? 408 VAL A C 1 ATOM 497 O O . VAL A 1 67 ? -8.146 11.693 25.513 1.00 29.29 ? 408 VAL A O 1 ATOM 498 C CB . VAL A 1 67 ? -9.263 14.012 27.510 1.00 27.01 ? 408 VAL A CB 1 ATOM 499 C CG1 . VAL A 1 67 ? -9.906 14.379 28.887 1.00 27.29 ? 408 VAL A CG1 1 ATOM 500 C CG2 . VAL A 1 67 ? -7.733 14.027 27.621 1.00 24.50 ? 408 VAL A CG2 1 ATOM 501 N N . PRO A 1 68 ? -9.989 12.625 24.610 1.00 27.83 ? 409 PRO A N 1 ATOM 502 C CA . PRO A 1 68 ? -9.607 12.408 23.216 1.00 28.17 ? 409 PRO A CA 1 ATOM 503 C C . PRO A 1 68 ? -8.379 13.272 22.955 1.00 28.12 ? 409 PRO A C 1 ATOM 504 O O . PRO A 1 68 ? -8.339 14.420 23.374 1.00 29.69 ? 409 PRO A O 1 ATOM 505 C CB . PRO A 1 68 ? -10.825 12.905 22.422 1.00 28.37 ? 409 PRO A CB 1 ATOM 506 C CG . PRO A 1 68 ? -11.903 13.127 23.484 1.00 29.42 ? 409 PRO A CG 1 ATOM 507 C CD . PRO A 1 68 ? -11.155 13.509 24.711 1.00 27.30 ? 409 PRO A CD 1 ATOM 508 N N . VAL A 1 69 ? -7.401 12.725 22.247 1.00 27.29 ? 410 VAL A N 1 ATOM 509 C CA . VAL A 1 69 ? -6.147 13.409 21.976 1.00 27.77 ? 410 VAL A CA 1 ATOM 510 C C . VAL A 1 69 ? -5.966 13.690 20.480 1.00 28.53 ? 410 VAL A C 1 ATOM 511 O O . VAL A 1 69 ? -5.750 14.829 20.061 1.00 29.51 ? 410 VAL A O 1 ATOM 512 C CB . VAL A 1 69 ? -4.995 12.535 22.547 1.00 28.16 ? 410 VAL A CB 1 ATOM 513 C CG1 . VAL A 1 69 ? -3.650 13.181 22.310 1.00 28.41 ? 410 VAL A CG1 1 ATOM 514 C CG2 . VAL A 1 69 ? -5.237 12.303 24.056 1.00 27.37 ? 410 VAL A CG2 1 ATOM 515 N N . LEU A 1 70 ? -6.024 12.639 19.674 1.00 29.96 ? 411 LEU A N 1 ATOM 516 C CA . LEU A 1 70 ? -5.905 12.771 18.224 1.00 31.14 ? 411 LEU A CA 1 ATOM 517 C C . LEU A 1 70 ? -6.936 11.829 17.619 1.00 31.37 ? 411 LEU A C 1 ATOM 518 O O . LEU A 1 70 ? -7.241 10.788 18.195 1.00 31.02 ? 411 LEU A O 1 ATOM 519 C CB . LEU A 1 70 ? -4.488 12.391 17.739 1.00 30.64 ? 411 LEU A CB 1 ATOM 520 C CG . LEU A 1 70 ? -3.373 13.346 18.190 1.00 30.07 ? 411 LEU A CG 1 ATOM 521 C CD1 . LEU A 1 70 ? -1.982 12.758 17.905 1.00 28.59 ? 411 LEU A CD1 1 ATOM 522 C CD2 . LEU A 1 70 ? -3.555 14.668 17.461 1.00 29.16 ? 411 LEU A CD2 1 ATOM 523 N N . ALA A 1 71 ? -7.506 12.201 16.481 1.00 31.56 ? 412 ALA A N 1 ATOM 524 C CA . ALA A 1 71 ? -8.494 11.348 15.827 1.00 32.38 ? 412 ALA A CA 1 ATOM 525 C C . ALA A 1 71 ? -7.940 10.781 14.533 1.00 34.07 ? 412 ALA A C 1 ATOM 526 O O . ALA A 1 71 ? -7.098 11.388 13.866 1.00 34.01 ? 412 ALA A O 1 ATOM 527 C CB . ALA A 1 71 ? -9.764 12.125 15.534 1.00 31.92 ? 412 ALA A CB 1 ATOM 528 N N . GLU A 1 72 ? -8.417 9.596 14.183 1.00 36.30 ? 413 GLU A N 1 ATOM 529 C CA . GLU A 1 72 ? -8.017 8.943 12.940 1.00 37.97 ? 413 GLU A CA 1 ATOM 530 C C . GLU A 1 72 ? -8.653 9.705 11.780 1.00 40.07 ? 413 GLU A C 1 ATOM 531 O O . GLU A 1 72 ? -9.855 10.011 11.812 1.00 38.43 ? 413 GLU A O 1 ATOM 532 C CB . GLU A 1 72 ? -8.561 7.520 12.854 1.00 37.21 ? 413 GLU A CB 1 ATOM 533 C CG . GLU A 1 72 ? -7.769 6.413 13.503 1.00 35.43 ? 413 GLU A CG 1 ATOM 534 C CD . GLU A 1 72 ? -8.413 5.054 13.254 1.00 36.15 ? 413 GLU A CD 1 ATOM 535 O OE1 . GLU A 1 72 ? -9.433 5.012 12.536 1.00 35.79 ? 413 GLU A OE1 1 ATOM 536 O OE2 . GLU A 1 72 ? -7.910 4.030 13.767 1.00 35.96 ? 413 GLU A OE2 1 ATOM 537 N N . ASN A 1 73 ? -7.859 10.022 10.759 1.00 43.70 ? 414 ASN A N 1 ATOM 538 C CA . ASN A 1 73 ? -8.393 10.671 9.564 1.00 48.46 ? 414 ASN A CA 1 ATOM 539 C C . ASN A 1 73 ? -8.094 9.779 8.372 1.00 51.97 ? 414 ASN A C 1 ATOM 540 O O . ASN A 1 73 ? -6.930 9.491 8.066 1.00 52.30 ? 414 ASN A O 1 ATOM 541 C CB . ASN A 1 73 ? -7.794 12.050 9.320 1.00 48.47 ? 414 ASN A CB 1 ATOM 542 C CG . ASN A 1 73 ? -8.843 13.136 9.358 1.00 50.45 ? 414 ASN A CG 1 ATOM 543 O OD1 . ASN A 1 73 ? -8.542 14.285 9.654 1.00 51.70 ? 414 ASN A OD1 1 ATOM 544 N ND2 . ASN A 1 73 ? -10.096 12.773 9.061 1.00 51.07 ? 414 ASN A ND2 1 ATOM 545 N N . ARG A 1 74 ? -9.157 9.322 7.712 1.00 56.41 ? 415 ARG A N 1 ATOM 546 C CA . ARG A 1 74 ? -9.042 8.449 6.543 1.00 61.08 ? 415 ARG A CA 1 ATOM 547 C C . ARG A 1 74 ? -8.902 9.257 5.258 1.00 63.61 ? 415 ARG A C 1 ATOM 548 O O . ARG A 1 74 ? -8.920 10.492 5.272 1.00 63.35 ? 415 ARG A O 1 ATOM 549 C CB . ARG A 1 74 ? -10.258 7.514 6.443 1.00 61.87 ? 415 ARG A CB 1 ATOM 550 C CG . ARG A 1 74 ? -11.593 8.203 6.176 1.00 65.13 ? 415 ARG A CG 1 ATOM 551 C CD . ARG A 1 74 ? -12.781 7.336 6.595 1.00 67.89 ? 415 ARG A CD 1 ATOM 552 N NE . ARG A 1 74 ? -14.029 8.100 6.641 1.00 71.56 ? 415 ARG A NE 1 ATOM 553 C CZ . ARG A 1 74 ? -14.780 8.405 5.586 1.00 73.54 ? 415 ARG A CZ 1 ATOM 554 N NH1 . ARG A 1 74 ? -15.890 9.112 5.749 1.00 74.51 ? 415 ARG A NH1 1 ATOM 555 N NH2 . ARG A 1 74 ? -14.442 7.985 4.377 1.00 74.18 ? 415 ARG A NH2 1 ATOM 556 N N . LYS A 1 75 ? -8.753 8.546 4.145 1.00 67.24 ? 416 LYS A N 1 ATOM 557 C CA . LYS A 1 75 ? -8.587 9.177 2.838 1.00 71.37 ? 416 LYS A CA 1 ATOM 558 C C . LYS A 1 75 ? -9.859 9.829 2.314 1.00 73.56 ? 416 LYS A C 1 ATOM 559 O O . LYS A 1 75 ? -10.758 9.172 1.779 1.00 74.17 ? 416 LYS A O 1 ATOM 560 C CB . LYS A 1 75 ? -8.036 8.161 1.824 1.00 72.50 ? 416 LYS A CB 1 ATOM 561 C CG . LYS A 1 75 ? -8.223 8.531 0.357 1.00 74.24 ? 416 LYS A CG 1 ATOM 562 C CD . LYS A 1 75 ? -6.994 8.249 -0.524 1.00 76.32 ? 416 LYS A CD 1 ATOM 563 C CE . LYS A 1 75 ? -6.423 6.846 -0.341 1.00 78.01 ? 416 LYS A CE 1 ATOM 564 N NZ . LYS A 1 75 ? -5.469 6.762 0.787 1.00 78.73 ? 416 LYS A NZ 1 ATOM 565 N N . SER A 1 76 ? -9.922 11.143 2.489 1.00 75.93 ? 417 SER A N 1 ATOM 566 C CA . SER A 1 76 ? -11.057 11.936 2.039 1.00 78.40 ? 417 SER A CA 1 ATOM 567 C C . SER A 1 76 ? -10.530 12.869 0.959 1.00 80.24 ? 417 SER A C 1 ATOM 568 O O . SER A 1 76 ? -9.376 13.301 1.021 1.00 80.81 ? 417 SER A O 1 ATOM 569 C CB . SER A 1 76 ? -11.616 12.787 3.183 1.00 78.70 ? 417 SER A CB 1 ATOM 570 O OG . SER A 1 76 ? -10.909 14.016 3.293 1.00 78.57 ? 417 SER A OG 1 ATOM 571 N N . SER A 1 77 ? -11.362 13.172 -0.034 1.00 81.97 ? 418 SER A N 1 ATOM 572 C CA . SER A 1 77 ? -10.964 14.086 -1.100 1.00 83.34 ? 418 SER A CA 1 ATOM 573 C C . SER A 1 77 ? -11.282 15.542 -0.695 1.00 84.26 ? 418 SER A C 1 ATOM 574 O O . SER A 1 77 ? -10.376 16.378 -0.650 1.00 84.76 ? 418 SER A O 1 ATOM 575 C CB . SER A 1 77 ? -11.666 13.727 -2.417 1.00 83.56 ? 418 SER A CB 1 ATOM 576 O OG . SER A 1 77 ? -13.016 13.345 -2.236 1.00 83.47 ? 418 SER A OG 1 ATOM 577 N N . LYS A 1 78 ? -12.552 15.833 -0.378 1.00 85.16 ? 419 LYS A N 1 ATOM 578 C CA . LYS A 1 78 ? -12.993 17.182 0.021 1.00 85.91 ? 419 LYS A CA 1 ATOM 579 C C . LYS A 1 78 ? -12.095 17.706 1.146 1.00 86.19 ? 419 LYS A C 1 ATOM 580 O O . LYS A 1 78 ? -11.790 16.978 2.088 1.00 86.46 ? 419 LYS A O 1 ATOM 581 C CB . LYS A 1 78 ? -14.474 17.162 0.461 1.00 86.07 ? 419 LYS A CB 1 ATOM 582 C CG . LYS A 1 78 ? -15.155 18.544 0.479 1.00 86.43 ? 419 LYS A CG 1 ATOM 583 C CD . LYS A 1 78 ? -14.835 19.384 1.714 1.00 86.61 ? 419 LYS A CD 1 ATOM 584 C CE . LYS A 1 78 ? -15.225 20.849 1.497 1.00 87.25 ? 419 LYS A CE 1 ATOM 585 N NZ . LYS A 1 78 ? -15.089 21.705 2.712 1.00 87.31 ? 419 LYS A NZ 1 ATOM 586 N N . HIS A 1 79 ? -11.693 18.976 1.036 1.00 86.38 ? 420 HIS A N 1 ATOM 587 C CA . HIS A 1 79 ? -10.766 19.630 1.970 1.00 86.47 ? 420 HIS A CA 1 ATOM 588 C C . HIS A 1 79 ? -9.403 18.986 1.655 1.00 85.78 ? 420 HIS A C 1 ATOM 589 O O . HIS A 1 79 ? -8.801 18.323 2.499 1.00 85.80 ? 420 HIS A O 1 ATOM 590 C CB . HIS A 1 79 ? -11.153 19.374 3.439 1.00 87.46 ? 420 HIS A CB 1 ATOM 591 C CG . HIS A 1 79 ? -11.763 20.553 4.122 1.00 88.50 ? 420 HIS A CG 1 ATOM 592 N ND1 . HIS A 1 79 ? -12.948 20.480 4.823 1.00 88.32 ? 420 HIS A ND1 1 ATOM 593 C CD2 . HIS A 1 79 ? -11.347 21.842 4.225 1.00 89.00 ? 420 HIS A CD2 1 ATOM 594 C CE1 . HIS A 1 79 ? -13.236 21.667 5.326 1.00 89.20 ? 420 HIS A CE1 1 ATOM 595 N NE2 . HIS A 1 79 ? -12.279 22.510 4.977 1.00 89.42 ? 420 HIS A NE2 1 ATOM 596 N N . SER A 1 80 ? -8.907 19.199 0.437 1.00 84.93 ? 421 SER A N 1 ATOM 597 C CA . SER A 1 80 ? -7.642 18.610 -0.014 1.00 83.79 ? 421 SER A CA 1 ATOM 598 C C . SER A 1 80 ? -6.329 19.399 0.101 1.00 82.50 ? 421 SER A C 1 ATOM 599 O O . SER A 1 80 ? -5.251 18.816 -0.052 1.00 82.52 ? 421 SER A O 1 ATOM 600 C CB . SER A 1 80 ? -7.814 18.104 -1.452 1.00 83.92 ? 421 SER A CB 1 ATOM 601 O OG . SER A 1 80 ? -8.365 19.094 -2.314 1.00 84.28 ? 421 SER A OG 1 ATOM 602 N N . SER A 1 81 ? -6.398 20.696 0.380 1.00 80.77 ? 422 SER A N 1 ATOM 603 C CA . SER A 1 81 ? -5.167 21.477 0.489 1.00 79.15 ? 422 SER A CA 1 ATOM 604 C C . SER A 1 81 ? -4.578 21.403 1.893 1.00 77.41 ? 422 SER A C 1 ATOM 605 O O . SER A 1 81 ? -3.361 21.436 2.071 1.00 77.45 ? 422 SER A O 1 ATOM 606 C CB . SER A 1 81 ? -5.400 22.942 0.076 1.00 79.50 ? 422 SER A CB 1 ATOM 607 O OG . SER A 1 81 ? -5.960 23.742 1.106 1.00 80.01 ? 422 SER A OG 1 ATOM 608 N N . LEU A 1 82 ? -5.455 21.282 2.886 1.00 75.22 ? 423 LEU A N 1 ATOM 609 C CA . LEU A 1 82 ? -5.045 21.184 4.288 1.00 72.60 ? 423 LEU A CA 1 ATOM 610 C C . LEU A 1 82 ? -4.367 19.850 4.577 1.00 70.45 ? 423 LEU A C 1 ATOM 611 O O . LEU A 1 82 ? -4.774 18.798 4.069 1.00 70.03 ? 423 LEU A O 1 ATOM 612 C CB . LEU A 1 82 ? -6.250 21.330 5.233 1.00 72.32 ? 423 LEU A CB 1 ATOM 613 C CG . LEU A 1 82 ? -7.024 22.652 5.369 1.00 72.98 ? 423 LEU A CG 1 ATOM 614 C CD1 . LEU A 1 82 ? -8.280 22.431 6.211 1.00 72.53 ? 423 LEU A CD1 1 ATOM 615 C CD2 . LEU A 1 82 ? -6.134 23.714 6.020 1.00 73.05 ? 423 LEU A CD2 1 ATOM 616 N N . ASP A 1 83 ? -3.323 19.911 5.395 0.50 67.63 ? 424 ASP A N 1 ATOM 617 C CA . ASP A 1 83 ? -2.594 18.728 5.809 0.50 64.99 ? 424 ASP A CA 1 ATOM 618 C C . ASP A 1 83 ? -3.607 17.848 6.537 0.50 63.31 ? 424 ASP A C 1 ATOM 619 O O . ASP A 1 83 ? -4.482 18.350 7.250 0.50 62.81 ? 424 ASP A O 1 ATOM 620 C CB . ASP A 1 83 ? -1.480 19.099 6.782 0.50 64.53 ? 424 ASP A CB 1 ATOM 621 C CG . ASP A 1 83 ? -0.283 19.711 6.103 0.50 64.68 ? 424 ASP A CG 1 ATOM 622 O OD1 . ASP A 1 83 ? 0.480 20.437 6.777 0.50 64.65 ? 424 ASP A OD1 1 ATOM 623 O OD2 . ASP A 1 83 ? -0.095 19.453 4.899 0.50 64.29 ? 424 ASP A OD2 1 ATOM 624 N N . CYS A 1 84 ? -3.489 16.540 6.358 1.00 61.10 ? 425 CYS A N 1 ATOM 625 C CA . CYS A 1 84 ? -4.381 15.588 6.994 1.00 59.19 ? 425 CYS A CA 1 ATOM 626 C C . CYS A 1 84 ? -4.413 15.841 8.507 1.00 58.96 ? 425 CYS A C 1 ATOM 627 O O . CYS A 1 84 ? -5.466 15.766 9.139 1.00 57.97 ? 425 CYS A O 1 ATOM 628 C CB . CYS A 1 84 ? -3.901 14.158 6.693 1.00 57.59 ? 425 CYS A CB 1 ATOM 629 S SG . CYS A 1 84 ? -4.763 12.884 7.665 1.00 54.44 ? 425 CYS A SG 1 ATOM 630 N N . VAL A 1 85 ? -3.252 16.156 9.076 1.00 58.23 ? 426 VAL A N 1 ATOM 631 C CA . VAL A 1 85 ? -3.132 16.416 10.507 1.00 57.38 ? 426 VAL A CA 1 ATOM 632 C C . VAL A 1 85 ? -4.018 17.565 11.000 1.00 57.37 ? 426 VAL A C 1 ATOM 633 O O . VAL A 1 85 ? -4.446 17.564 12.158 1.00 55.58 ? 426 VAL A O 1 ATOM 634 C CB . VAL A 1 85 ? -1.666 16.712 10.888 1.00 56.58 ? 426 VAL A CB 1 ATOM 635 C CG1 . VAL A 1 85 ? -1.584 17.200 12.327 1.00 57.14 ? 426 VAL A CG1 1 ATOM 636 C CG2 . VAL A 1 85 ? -0.827 15.457 10.723 1.00 55.72 ? 426 VAL A CG2 1 ATOM 637 N N . LEU A 1 86 ? -4.290 18.539 10.130 1.00 57.74 ? 427 LEU A N 1 ATOM 638 C CA . LEU A 1 86 ? -5.119 19.693 10.499 1.00 58.87 ? 427 LEU A CA 1 ATOM 639 C C . LEU A 1 86 ? -6.478 19.670 9.784 1.00 59.07 ? 427 LEU A C 1 ATOM 640 O O . LEU A 1 86 ? -7.257 20.619 9.870 1.00 59.54 ? 427 LEU A O 1 ATOM 641 C CB . LEU A 1 86 ? -4.376 21.008 10.187 1.00 58.71 ? 427 LEU A CB 1 ATOM 642 C CG . LEU A 1 86 ? -3.005 21.274 10.844 1.00 59.82 ? 427 LEU A CG 1 ATOM 643 C CD1 . LEU A 1 86 ? -2.307 22.413 10.110 1.00 60.50 ? 427 LEU A CD1 1 ATOM 644 C CD2 . LEU A 1 86 ? -3.164 21.625 12.316 1.00 60.03 ? 427 LEU A CD2 1 ATOM 645 N N . ARG A 1 87 ? -6.754 18.568 9.090 1.00 59.70 ? 428 ARG A N 1 ATOM 646 C CA . ARG A 1 87 ? -8.007 18.378 8.343 1.00 59.88 ? 428 ARG A CA 1 ATOM 647 C C . ARG A 1 87 ? -9.126 17.900 9.288 1.00 59.50 ? 428 ARG A C 1 ATOM 648 O O . ARG A 1 87 ? -8.933 16.965 10.071 1.00 58.91 ? 428 ARG A O 1 ATOM 649 C CB . ARG A 1 87 ? -7.783 17.336 7.242 1.00 60.30 ? 428 ARG A CB 1 ATOM 650 C CG . ARG A 1 87 ? -8.943 17.136 6.253 1.00 62.06 ? 428 ARG A CG 1 ATOM 651 C CD . ARG A 1 87 ? -8.826 15.791 5.501 1.00 63.53 ? 428 ARG A CD 1 ATOM 652 N NE . ARG A 1 87 ? -7.599 15.686 4.709 1.00 64.41 ? 428 ARG A NE 1 ATOM 653 C CZ . ARG A 1 87 ? -7.016 14.542 4.364 1.00 64.48 ? 428 ARG A CZ 1 ATOM 654 N NH1 . ARG A 1 87 ? -7.537 13.384 4.738 1.00 66.29 ? 428 ARG A NH1 1 ATOM 655 N NH2 . ARG A 1 87 ? -5.907 14.557 3.640 1.00 64.40 ? 428 ARG A NH2 1 ATOM 656 N N . PRO A 1 88 ? -10.308 18.541 9.235 1.00 59.60 ? 429 PRO A N 1 ATOM 657 C CA . PRO A 1 88 ? -11.388 18.085 10.124 1.00 59.58 ? 429 PRO A CA 1 ATOM 658 C C . PRO A 1 88 ? -11.730 16.630 9.805 1.00 59.40 ? 429 PRO A C 1 ATOM 659 O O . PRO A 1 88 ? -11.587 16.188 8.659 1.00 59.55 ? 429 PRO A O 1 ATOM 660 C CB . PRO A 1 88 ? -12.560 19.001 9.773 1.00 59.79 ? 429 PRO A CB 1 ATOM 661 C CG . PRO A 1 88 ? -11.934 20.212 9.159 1.00 59.69 ? 429 PRO A CG 1 ATOM 662 C CD . PRO A 1 88 ? -10.714 19.708 8.429 1.00 59.43 ? 429 PRO A CD 1 ATOM 663 N N . THR A 1 89 ? -12.195 15.886 10.801 1.00 59.04 ? 430 THR A N 1 ATOM 664 C CA . THR A 1 89 ? -12.574 14.495 10.574 1.00 58.68 ? 430 THR A CA 1 ATOM 665 C C . THR A 1 89 ? -13.986 14.524 10.001 1.00 57.65 ? 430 THR A C 1 ATOM 666 O O . THR A 1 89 ? -14.827 15.308 10.434 1.00 57.42 ? 430 THR A O 1 ATOM 667 C CB . THR A 1 89 ? -12.599 13.695 11.877 1.00 59.06 ? 430 THR A CB 1 ATOM 668 O OG1 . THR A 1 89 ? -13.516 14.309 12.793 1.00 59.90 ? 430 THR A OG1 1 ATOM 669 C CG2 . THR A 1 89 ? -11.208 13.647 12.488 1.00 59.07 ? 430 THR A CG2 1 ATOM 670 N N . GLU A 1 90 ? -14.252 13.670 9.025 1.00 56.70 ? 431 GLU A N 1 ATOM 671 C CA . GLU A 1 90 ? -15.565 13.643 8.408 1.00 55.99 ? 431 GLU A CA 1 ATOM 672 C C . GLU A 1 90 ? -16.520 12.598 8.979 1.00 53.51 ? 431 GLU A C 1 ATOM 673 O O . GLU A 1 90 ? -17.725 12.676 8.737 1.00 54.19 ? 431 GLU A O 1 ATOM 674 C CB . GLU A 1 90 ? -15.407 13.462 6.900 1.00 58.48 ? 431 GLU A CB 1 ATOM 675 C CG . GLU A 1 90 ? -15.022 14.748 6.161 1.00 62.05 ? 431 GLU A CG 1 ATOM 676 C CD . GLU A 1 90 ? -14.188 14.517 4.905 1.00 63.52 ? 431 GLU A CD 1 ATOM 677 O OE1 . GLU A 1 90 ? -14.302 13.434 4.290 1.00 64.52 ? 431 GLU A OE1 1 ATOM 678 O OE2 . GLU A 1 90 ? -13.425 15.433 4.529 1.00 63.97 ? 431 GLU A OE2 1 ATOM 679 N N . GLY A 1 91 ? -15.997 11.648 9.753 1.00 50.44 ? 432 GLY A N 1 ATOM 680 C CA . GLY A 1 91 ? -16.838 10.606 10.320 1.00 46.48 ? 432 GLY A CA 1 ATOM 681 C C . GLY A 1 91 ? -16.896 9.427 9.359 1.00 44.64 ? 432 GLY A C 1 ATOM 682 O O . GLY A 1 91 ? -16.416 9.519 8.225 1.00 44.99 ? 432 GLY A O 1 ATOM 683 N N . TYR A 1 92 ? -17.429 8.296 9.804 1.00 41.24 ? 433 TYR A N 1 ATOM 684 C CA . TYR A 1 92 ? -17.544 7.152 8.917 1.00 37.45 ? 433 TYR A CA 1 ATOM 685 C C . TYR A 1 92 ? -18.995 6.708 8.919 1.00 36.61 ? 433 TYR A C 1 ATOM 686 O O . TYR A 1 92 ? -19.763 7.025 9.831 1.00 35.90 ? 433 TYR A O 1 ATOM 687 C CB . TYR A 1 92 ? -16.556 6.015 9.292 1.00 34.66 ? 433 TYR A CB 1 ATOM 688 C CG . TYR A 1 92 ? -16.638 5.461 10.682 1.00 32.32 ? 433 TYR A CG 1 ATOM 689 C CD1 . TYR A 1 92 ? -17.508 4.418 10.990 1.00 30.23 ? 433 TYR A CD1 1 ATOM 690 C CD2 . TYR A 1 92 ? -15.770 5.910 11.670 1.00 32.84 ? 433 TYR A CD2 1 ATOM 691 C CE1 . TYR A 1 92 ? -17.545 3.865 12.275 1.00 28.28 ? 433 TYR A CE1 1 ATOM 692 C CE2 . TYR A 1 92 ? -15.796 5.363 12.959 1.00 31.11 ? 433 TYR A CE2 1 ATOM 693 C CZ . TYR A 1 92 ? -16.667 4.328 13.239 1.00 29.64 ? 433 TYR A CZ 1 ATOM 694 O OH . TYR A 1 92 ? -16.680 3.816 14.508 1.00 28.05 ? 433 TYR A OH 1 ATOM 695 N N . LEU A 1 93 ? -19.377 6.001 7.867 1.00 35.26 ? 434 LEU A N 1 ATOM 696 C CA . LEU A 1 93 ? -20.746 5.567 7.704 1.00 34.82 ? 434 LEU A CA 1 ATOM 697 C C . LEU A 1 93 ? -21.047 4.194 8.266 1.00 34.79 ? 434 LEU A C 1 ATOM 698 O O . LEU A 1 93 ? -20.564 3.184 7.766 1.00 36.11 ? 434 LEU A O 1 ATOM 699 C CB . LEU A 1 93 ? -21.130 5.657 6.216 1.00 34.65 ? 434 LEU A CB 1 ATOM 700 C CG . LEU A 1 93 ? -20.915 7.006 5.484 1.00 35.37 ? 434 LEU A CG 1 ATOM 701 C CD1 . LEU A 1 93 ? -21.016 6.808 3.959 1.00 33.60 ? 434 LEU A CD1 1 ATOM 702 C CD2 . LEU A 1 93 ? -21.947 8.037 5.963 1.00 33.54 ? 434 LEU A CD2 1 ATOM 703 N N . ALA A 1 94 ? -21.839 4.168 9.328 1.00 34.30 ? 435 ALA A N 1 ATOM 704 C CA . ALA A 1 94 ? -22.227 2.911 9.934 1.00 34.10 ? 435 ALA A CA 1 ATOM 705 C C . ALA A 1 94 ? -23.324 2.373 9.017 1.00 33.96 ? 435 ALA A C 1 ATOM 706 O O . ALA A 1 94 ? -24.338 3.035 8.791 1.00 35.61 ? 435 ALA A O 1 ATOM 707 C CB . ALA A 1 94 ? -22.777 3.146 11.325 1.00 34.22 ? 435 ALA A CB 1 ATOM 708 N N . VAL A 1 95 ? -23.125 1.169 8.495 1.00 32.91 ? 436 VAL A N 1 ATOM 709 C CA . VAL A 1 95 ? -24.076 0.529 7.573 1.00 32.37 ? 436 VAL A CA 1 ATOM 710 C C . VAL A 1 95 ? -24.474 -0.871 8.041 1.00 33.00 ? 436 VAL A C 1 ATOM 711 O O . VAL A 1 95 ? -23.877 -1.405 8.986 1.00 33.89 ? 436 VAL A O 1 ATOM 712 C CB . VAL A 1 95 ? -23.458 0.337 6.173 1.00 31.12 ? 436 VAL A CB 1 ATOM 713 C CG1 . VAL A 1 95 ? -23.117 1.662 5.560 1.00 32.58 ? 436 VAL A CG1 1 ATOM 714 C CG2 . VAL A 1 95 ? -22.197 -0.527 6.286 1.00 30.37 ? 436 VAL A CG2 1 ATOM 715 N N . ALA A 1 96 ? -25.481 -1.453 7.383 1.00 32.69 ? 437 ALA A N 1 ATOM 716 C CA . ALA A 1 96 ? -25.922 -2.822 7.668 1.00 32.42 ? 437 ALA A CA 1 ATOM 717 C C . ALA A 1 96 ? -25.755 -3.535 6.329 1.00 32.04 ? 437 ALA A C 1 ATOM 718 O O . ALA A 1 96 ? -26.401 -3.199 5.339 1.00 33.23 ? 437 ALA A O 1 ATOM 719 C CB . ALA A 1 96 ? -27.395 -2.874 8.110 1.00 31.45 ? 437 ALA A CB 1 ATOM 720 N N . VAL A 1 97 ? -24.876 -4.519 6.281 1.00 32.10 ? 438 VAL A N 1 ATOM 721 C CA . VAL A 1 97 ? -24.640 -5.229 5.031 1.00 31.22 ? 438 VAL A CA 1 ATOM 722 C C . VAL A 1 97 ? -25.258 -6.612 5.025 1.00 32.08 ? 438 VAL A C 1 ATOM 723 O O . VAL A 1 97 ? -25.333 -7.293 6.057 1.00 32.34 ? 438 VAL A O 1 ATOM 724 C CB . VAL A 1 97 ? -23.127 -5.396 4.766 1.00 30.34 ? 438 VAL A CB 1 ATOM 725 C CG1 . VAL A 1 97 ? -22.855 -5.631 3.294 1.00 28.83 ? 438 VAL A CG1 1 ATOM 726 C CG2 . VAL A 1 97 ? -22.369 -4.188 5.285 1.00 29.68 ? 438 VAL A CG2 1 ATOM 727 N N . VAL A 1 98 ? -25.704 -7.008 3.839 1.00 32.04 ? 439 VAL A N 1 ATOM 728 C CA . VAL A 1 98 ? -26.281 -8.325 3.590 1.00 31.85 ? 439 VAL A CA 1 ATOM 729 C C . VAL A 1 98 ? -25.816 -8.820 2.236 1.00 33.23 ? 439 VAL A C 1 ATOM 730 O O . VAL A 1 98 ? -25.248 -8.084 1.420 1.00 32.01 ? 439 VAL A O 1 ATOM 731 C CB . VAL A 1 98 ? -27.844 -8.358 3.564 1.00 31.73 ? 439 VAL A CB 1 ATOM 732 C CG1 . VAL A 1 98 ? -28.391 -7.847 4.887 1.00 30.99 ? 439 VAL A CG1 1 ATOM 733 C CG2 . VAL A 1 98 ? -28.391 -7.569 2.343 1.00 30.55 ? 439 VAL A CG2 1 ATOM 734 N N . LYS A 1 99 ? -26.046 -10.106 2.021 1.00 36.71 ? 440 LYS A N 1 ATOM 735 C CA . LYS A 1 99 ? -25.702 -10.781 0.776 1.00 39.47 ? 440 LYS A CA 1 ATOM 736 C C . LYS A 1 99 ? -26.834 -10.416 -0.213 1.00 40.46 ? 440 LYS A C 1 ATOM 737 O O . LYS A 1 99 ? -28.014 -10.471 0.158 1.00 39.63 ? 440 LYS A O 1 ATOM 738 C CB . LYS A 1 99 ? -25.706 -12.289 1.021 1.00 40.52 ? 440 LYS A CB 1 ATOM 739 C CG . LYS A 1 99 ? -24.457 -13.022 0.598 1.00 42.35 ? 440 LYS A CG 1 ATOM 740 C CD . LYS A 1 99 ? -23.203 -12.442 1.223 1.00 41.58 ? 440 LYS A CD 1 ATOM 741 C CE . LYS A 1 99 ? -21.967 -13.231 0.787 1.00 42.76 ? 440 LYS A CE 1 ATOM 742 N NZ . LYS A 1 99 ? -21.973 -14.653 1.267 1.00 41.70 ? 440 LYS A NZ 1 ATOM 743 N N . LYS A 1 100 ? -26.501 -10.039 -1.447 1.00 42.67 ? 441 LYS A N 1 ATOM 744 C CA . LYS A 1 100 ? -27.518 -9.690 -2.445 1.00 45.62 ? 441 LYS A CA 1 ATOM 745 C C . LYS A 1 100 ? -28.371 -10.949 -2.685 1.00 46.35 ? 441 LYS A C 1 ATOM 746 O O . LYS A 1 100 ? -29.596 -10.888 -2.694 1.00 46.31 ? 441 LYS A O 1 ATOM 747 C CB . LYS A 1 100 ? -26.836 -9.235 -3.743 1.00 47.38 ? 441 LYS A CB 1 ATOM 748 C CG . LYS A 1 100 ? -27.763 -9.081 -4.935 1.00 49.55 ? 441 LYS A CG 1 ATOM 749 C CD . LYS A 1 100 ? -27.066 -9.668 -6.144 1.00 51.99 ? 441 LYS A CD 1 ATOM 750 C CE . LYS A 1 100 ? -27.296 -8.881 -7.412 1.00 54.21 ? 441 LYS A CE 1 ATOM 751 N NZ . LYS A 1 100 ? -26.249 -9.223 -8.421 1.00 56.97 ? 441 LYS A NZ 1 ATOM 752 N N . ALA A 1 101 ? -27.720 -12.095 -2.880 1.00 46.86 ? 442 ALA A N 1 ATOM 753 C CA . ALA A 1 101 ? -28.411 -13.368 -3.078 1.00 47.60 ? 442 ALA A CA 1 ATOM 754 C C . ALA A 1 101 ? -29.447 -13.595 -1.945 1.00 48.51 ? 442 ALA A C 1 ATOM 755 O O . ALA A 1 101 ? -30.353 -14.414 -2.079 1.00 50.15 ? 442 ALA A O 1 ATOM 756 C CB . ALA A 1 101 ? -27.394 -14.497 -3.072 1.00 46.69 ? 442 ALA A CB 1 ATOM 757 N N . ASN A 1 102 ? -29.306 -12.909 -0.815 1.00 49.59 ? 443 ASN A N 1 ATOM 758 C CA . ASN A 1 102 ? -30.246 -13.087 0.296 1.00 50.42 ? 443 ASN A CA 1 ATOM 759 C C . ASN A 1 102 ? -31.389 -12.090 0.026 1.00 50.24 ? 443 ASN A C 1 ATOM 760 O O . ASN A 1 102 ? -31.603 -11.130 0.777 1.00 50.85 ? 443 ASN A O 1 ATOM 761 C CB . ASN A 1 102 ? -29.539 -12.777 1.626 1.00 50.57 ? 443 ASN A CB 1 ATOM 762 C CG . ASN A 1 102 ? -30.176 -13.471 2.821 1.00 51.74 ? 443 ASN A CG 1 ATOM 763 O OD1 . ASN A 1 102 ? -31.375 -13.756 2.827 1.00 52.36 ? 443 ASN A OD1 1 ATOM 764 N ND2 . ASN A 1 102 ? -29.372 -13.727 3.853 1.00 51.74 ? 443 ASN A ND2 1 ATOM 765 N N . GLU A 1 103 ? -32.121 -12.337 -1.058 1.00 49.44 ? 444 GLU A N 1 ATOM 766 C CA . GLU A 1 103 ? -33.241 -11.489 -1.483 1.00 49.89 ? 444 GLU A CA 1 ATOM 767 C C . GLU A 1 103 ? -34.353 -11.356 -0.455 1.00 49.63 ? 444 GLU A C 1 ATOM 768 O O . GLU A 1 103 ? -34.600 -12.272 0.323 1.00 50.11 ? 444 GLU A O 1 ATOM 769 C CB . GLU A 1 103 ? -33.845 -12.026 -2.793 1.00 50.24 ? 444 GLU A CB 1 ATOM 770 C CG . GLU A 1 103 ? -32.881 -12.099 -3.969 1.00 51.63 ? 444 GLU A CG 1 ATOM 771 C CD . GLU A 1 103 ? -33.420 -12.921 -5.130 1.00 54.02 ? 444 GLU A CD 1 ATOM 772 O OE1 . GLU A 1 103 ? -32.617 -13.201 -6.033 1.00 54.18 ? 444 GLU A OE1 1 ATOM 773 O OE2 . GLU A 1 103 ? -34.620 -13.281 -5.143 1.00 55.04 ? 444 GLU A OE2 1 ATOM 774 N N . GLY A 1 104 ? -35.021 -10.210 -0.450 1.00 49.52 ? 445 GLY A N 1 ATOM 775 C CA . GLY A 1 104 ? -36.111 -10.022 0.488 1.00 49.97 ? 445 GLY A CA 1 ATOM 776 C C . GLY A 1 104 ? -35.764 -9.633 1.914 1.00 49.97 ? 445 GLY A C 1 ATOM 777 O O . GLY A 1 104 ? -36.653 -9.251 2.679 1.00 50.13 ? 445 GLY A O 1 ATOM 778 N N . LEU A 1 105 ? -34.495 -9.769 2.299 1.00 49.43 ? 446 LEU A N 1 ATOM 779 C CA . LEU A 1 105 ? -34.065 -9.415 3.653 1.00 48.20 ? 446 LEU A CA 1 ATOM 780 C C . LEU A 1 105 ? -33.903 -7.893 3.681 1.00 48.20 ? 446 LEU A C 1 ATOM 781 O O . LEU A 1 105 ? -33.086 -7.326 2.947 1.00 47.73 ? 446 LEU A O 1 ATOM 782 C CB . LEU A 1 105 ? -32.715 -10.073 4.002 1.00 47.68 ? 446 LEU A CB 1 ATOM 783 C CG . LEU A 1 105 ? -32.034 -9.699 5.333 1.00 46.86 ? 446 LEU A CG 1 ATOM 784 C CD1 . LEU A 1 105 ? -33.016 -9.829 6.490 1.00 45.52 ? 446 LEU A CD1 1 ATOM 785 C CD2 . LEU A 1 105 ? -30.825 -10.613 5.547 1.00 47.30 ? 446 LEU A CD2 1 ATOM 786 N N . THR A 1 106 ? -34.686 -7.221 4.514 1.00 47.88 ? 447 THR A N 1 ATOM 787 C CA . THR A 1 106 ? -34.603 -5.767 4.617 1.00 48.35 ? 447 THR A CA 1 ATOM 788 C C . THR A 1 106 ? -34.408 -5.447 6.082 1.00 48.52 ? 447 THR A C 1 ATOM 789 O O . THR A 1 106 ? -34.309 -6.341 6.925 1.00 49.01 ? 447 THR A O 1 ATOM 790 C CB . THR A 1 106 ? -35.924 -5.041 4.185 1.00 47.79 ? 447 THR A CB 1 ATOM 791 O OG1 . THR A 1 106 ? -36.954 -5.295 5.159 1.00 48.46 ? 447 THR A OG1 1 ATOM 792 C CG2 . THR A 1 106 ? -36.405 -5.519 2.819 1.00 46.33 ? 447 THR A CG2 1 ATOM 793 N N . TRP A 1 107 ? -34.354 -4.162 6.391 1.00 48.66 ? 448 TRP A N 1 ATOM 794 C CA . TRP A 1 107 ? -34.221 -3.746 7.768 1.00 48.87 ? 448 TRP A CA 1 ATOM 795 C C . TRP A 1 107 ? -35.492 -4.235 8.501 1.00 49.46 ? 448 TRP A C 1 ATOM 796 O O . TRP A 1 107 ? -35.413 -4.701 9.637 1.00 50.62 ? 448 TRP A O 1 ATOM 797 C CB . TRP A 1 107 ? -34.120 -2.227 7.838 1.00 48.26 ? 448 TRP A CB 1 ATOM 798 C CG . TRP A 1 107 ? -34.079 -1.701 9.231 1.00 49.52 ? 448 TRP A CG 1 ATOM 799 C CD1 . TRP A 1 107 ? -35.136 -1.260 9.975 1.00 49.45 ? 448 TRP A CD1 1 ATOM 800 C CD2 . TRP A 1 107 ? -32.916 -1.564 10.058 1.00 49.03 ? 448 TRP A CD2 1 ATOM 801 N NE1 . TRP A 1 107 ? -34.708 -0.886 11.223 1.00 49.41 ? 448 TRP A NE1 1 ATOM 802 C CE2 . TRP A 1 107 ? -33.361 -1.095 11.316 1.00 48.79 ? 448 TRP A CE2 1 ATOM 803 C CE3 . TRP A 1 107 ? -31.561 -1.882 9.893 1.00 48.61 ? 448 TRP A CE3 1 ATOM 804 C CZ2 . TRP A 1 107 ? -32.473 -0.821 12.362 1.00 48.10 ? 448 TRP A CZ2 1 ATOM 805 C CZ3 . TRP A 1 107 ? -30.680 -1.619 10.939 1.00 48.76 ? 448 TRP A CZ3 1 ATOM 806 C CH2 . TRP A 1 107 ? -31.150 -1.130 12.173 1.00 48.57 ? 448 TRP A CH2 1 ATOM 807 N N . ASN A 1 108 ? -36.661 -4.153 7.857 1.00 49.59 ? 449 ASN A N 1 ATOM 808 C CA . ASN A 1 108 ? -37.914 -4.573 8.511 1.00 49.79 ? 449 ASN A CA 1 ATOM 809 C C . ASN A 1 108 ? -38.076 -6.062 8.693 1.00 49.54 ? 449 ASN A C 1 ATOM 810 O O . ASN A 1 108 ? -38.996 -6.504 9.386 1.00 49.79 ? 449 ASN A O 1 ATOM 811 C CB . ASN A 1 108 ? -39.127 -4.066 7.752 1.00 50.29 ? 449 ASN A CB 1 ATOM 812 C CG . ASN A 1 108 ? -38.926 -2.686 7.228 1.00 50.09 ? 449 ASN A CG 1 ATOM 813 O OD1 . ASN A 1 108 ? -38.681 -1.750 7.984 1.00 50.37 ? 449 ASN A OD1 1 ATOM 814 N ND2 . ASN A 1 108 ? -39.015 -2.544 5.918 1.00 50.96 ? 449 ASN A ND2 1 ATOM 815 N N . SER A 1 109 ? -37.208 -6.840 8.059 1.00 49.26 ? 450 SER A N 1 ATOM 816 C CA . SER A 1 109 ? -37.283 -8.287 8.204 1.00 48.93 ? 450 SER A CA 1 ATOM 817 C C . SER A 1 109 ? -36.038 -8.870 8.905 1.00 48.91 ? 450 SER A C 1 ATOM 818 O O . SER A 1 109 ? -35.629 -9.996 8.606 1.00 49.36 ? 450 SER A O 1 ATOM 819 C CB . SER A 1 109 ? -37.512 -8.970 6.831 1.00 47.91 ? 450 SER A CB 1 ATOM 820 O OG . SER A 1 109 ? -36.466 -8.746 5.899 1.00 47.91 ? 450 SER A OG 1 ATOM 821 N N . LEU A 1 110 ? -35.456 -8.124 9.850 1.00 48.49 ? 451 LEU A N 1 ATOM 822 C CA . LEU A 1 110 ? -34.259 -8.578 10.581 1.00 47.48 ? 451 LEU A CA 1 ATOM 823 C C . LEU A 1 110 ? -34.554 -9.486 11.796 1.00 47.24 ? 451 LEU A C 1 ATOM 824 O O . LEU A 1 110 ? -33.731 -10.329 12.161 1.00 47.47 ? 451 LEU A O 1 ATOM 825 C CB . LEU A 1 110 ? -33.416 -7.359 11.016 1.00 47.18 ? 451 LEU A CB 1 ATOM 826 C CG . LEU A 1 110 ? -31.992 -7.160 10.462 1.00 47.17 ? 451 LEU A CG 1 ATOM 827 C CD1 . LEU A 1 110 ? -31.831 -7.748 9.051 1.00 45.99 ? 451 LEU A CD1 1 ATOM 828 C CD2 . LEU A 1 110 ? -31.724 -5.661 10.448 1.00 46.86 ? 451 LEU A CD2 1 ATOM 829 N N . LYS A 1 111 ? -35.718 -9.310 12.419 1.00 46.57 ? 452 LYS A N 1 ATOM 830 C CA . LYS A 1 111 ? -36.137 -10.111 13.576 1.00 46.65 ? 452 LYS A CA 1 ATOM 831 C C . LYS A 1 111 ? -35.877 -11.608 13.323 1.00 45.79 ? 452 LYS A C 1 ATOM 832 O O . LYS A 1 111 ? -36.283 -12.157 12.300 1.00 46.44 ? 452 LYS A O 1 ATOM 833 C CB . LYS A 1 111 ? -37.628 -9.901 13.810 1.00 47.54 ? 452 LYS A CB 1 ATOM 834 C CG . LYS A 1 111 ? -38.133 -10.305 15.177 1.00 51.12 ? 452 LYS A CG 1 ATOM 835 C CD . LYS A 1 111 ? -39.632 -10.056 15.250 1.00 54.34 ? 452 LYS A CD 1 ATOM 836 C CE . LYS A 1 111 ? -40.112 -9.857 16.673 1.00 55.87 ? 452 LYS A CE 1 ATOM 837 N NZ . LYS A 1 111 ? -39.890 -11.068 17.505 1.00 59.04 ? 452 LYS A NZ 1 ATOM 838 N N . ASP A 1 112 ? -35.219 -12.266 14.267 1.00 45.13 ? 453 ASP A N 1 ATOM 839 C CA . ASP A 1 112 ? -34.893 -13.680 14.162 1.00 44.60 ? 453 ASP A CA 1 ATOM 840 C C . ASP A 1 112 ? -33.882 -14.044 13.079 1.00 42.70 ? 453 ASP A C 1 ATOM 841 O O . ASP A 1 112 ? -33.768 -15.210 12.697 1.00 43.11 ? 453 ASP A O 1 ATOM 842 C CB . ASP A 1 112 ? -36.180 -14.516 14.026 1.00 47.15 ? 453 ASP A CB 1 ATOM 843 C CG . ASP A 1 112 ? -37.042 -14.455 15.291 1.00 49.69 ? 453 ASP A CG 1 ATOM 844 O OD1 . ASP A 1 112 ? -38.205 -14.912 15.263 1.00 50.90 ? 453 ASP A OD1 1 ATOM 845 O OD2 . ASP A 1 112 ? -36.544 -13.948 16.322 1.00 51.08 ? 453 ASP A OD2 1 ATOM 846 N N . LYS A 1 113 ? -33.138 -13.074 12.567 1.00 40.99 ? 454 LYS A N 1 ATOM 847 C CA . LYS A 1 113 ? -32.123 -13.438 11.582 1.00 39.83 ? 454 LYS A CA 1 ATOM 848 C C . LYS A 1 113 ? -30.771 -13.610 12.321 1.00 38.36 ? 454 LYS A C 1 ATOM 849 O O . LYS A 1 113 ? -30.678 -13.406 13.545 1.00 38.69 ? 454 LYS A O 1 ATOM 850 C CB . LYS A 1 113 ? -32.031 -12.385 10.477 1.00 41.40 ? 454 LYS A CB 1 ATOM 851 C CG . LYS A 1 113 ? -33.239 -12.396 9.548 1.00 41.94 ? 454 LYS A CG 1 ATOM 852 C CD . LYS A 1 113 ? -33.415 -13.773 8.885 1.00 43.24 ? 454 LYS A CD 1 ATOM 853 C CE . LYS A 1 113 ? -34.718 -13.876 8.103 1.00 43.16 ? 454 LYS A CE 1 ATOM 854 N NZ . LYS A 1 113 ? -35.884 -13.449 8.926 1.00 45.37 ? 454 LYS A NZ 1 ATOM 855 N N . LYS A 1 114 ? -29.736 -14.029 11.602 1.00 36.46 ? 455 LYS A N 1 ATOM 856 C CA . LYS A 1 114 ? -28.402 -14.228 12.187 1.00 35.77 ? 455 LYS A CA 1 ATOM 857 C C . LYS A 1 114 ? -27.581 -12.955 11.913 1.00 34.62 ? 455 LYS A C 1 ATOM 858 O O . LYS A 1 114 ? -27.443 -12.553 10.758 1.00 34.82 ? 455 LYS A O 1 ATOM 859 C CB . LYS A 1 114 ? -27.727 -15.467 11.554 1.00 36.65 ? 455 LYS A CB 1 ATOM 860 C CG . LYS A 1 114 ? -28.329 -16.804 12.015 1.00 38.77 ? 455 LYS A CG 1 ATOM 861 C CD . LYS A 1 114 ? -27.741 -18.029 11.291 1.00 41.75 ? 455 LYS A CD 1 ATOM 862 C CE . LYS A 1 114 ? -28.213 -18.134 9.830 1.00 44.22 ? 455 LYS A CE 1 ATOM 863 N NZ . LYS A 1 114 ? -27.290 -18.943 8.958 1.00 44.90 ? 455 LYS A NZ 1 ATOM 864 N N . SER A 1 115 ? -27.031 -12.331 12.964 1.00 32.74 ? 456 SER A N 1 ATOM 865 C CA . SER A 1 115 ? -26.243 -11.081 12.829 1.00 31.53 ? 456 SER A CA 1 ATOM 866 C C . SER A 1 115 ? -24.730 -11.113 13.186 1.00 30.42 ? 456 SER A C 1 ATOM 867 O O . SER A 1 115 ? -24.281 -11.947 13.967 1.00 31.46 ? 456 SER A O 1 ATOM 868 C CB . SER A 1 115 ? -26.906 -9.986 13.670 1.00 30.54 ? 456 SER A CB 1 ATOM 869 O OG . SER A 1 115 ? -26.840 -10.299 15.052 1.00 28.32 ? 456 SER A OG 1 ATOM 870 N N . CYS A 1 116 ? -23.952 -10.191 12.625 1.00 30.05 ? 457 CYS A N 1 ATOM 871 C CA . CYS A 1 116 ? -22.514 -10.122 12.899 1.00 29.13 ? 457 CYS A CA 1 ATOM 872 C C . CYS A 1 116 ? -22.131 -8.728 13.344 1.00 28.19 ? 457 CYS A C 1 ATOM 873 O O . CYS A 1 116 ? -22.206 -7.773 12.568 1.00 29.39 ? 457 CYS A O 1 ATOM 874 C CB . CYS A 1 116 ? -21.735 -10.446 11.651 1.00 26.92 ? 457 CYS A CB 1 ATOM 875 S SG . CYS A 1 116 ? -22.203 -11.971 10.767 1.00 29.81 ? 457 CYS A SG 1 ATOM 876 N N . HIS A 1 117 ? -21.686 -8.620 14.584 1.00 27.18 ? 458 HIS A N 1 ATOM 877 C CA . HIS A 1 117 ? -21.316 -7.334 15.147 1.00 26.45 ? 458 HIS A CA 1 ATOM 878 C C . HIS A 1 117 ? -19.811 -7.268 15.365 1.00 25.68 ? 458 HIS A C 1 ATOM 879 O O . HIS A 1 117 ? -19.201 -8.278 15.698 1.00 25.71 ? 458 HIS A O 1 ATOM 880 C CB . HIS A 1 117 ? -22.035 -7.159 16.476 1.00 25.50 ? 458 HIS A CB 1 ATOM 881 C CG . HIS A 1 117 ? -23.502 -7.425 16.409 1.00 27.65 ? 458 HIS A CG 1 ATOM 882 N ND1 . HIS A 1 117 ? -24.444 -6.424 16.556 1.00 28.24 ? 458 HIS A ND1 1 ATOM 883 C CD2 . HIS A 1 117 ? -24.204 -8.569 16.221 1.00 27.04 ? 458 HIS A CD2 1 ATOM 884 C CE1 . HIS A 1 117 ? -25.650 -6.943 16.462 1.00 27.51 ? 458 HIS A CE1 1 ATOM 885 N NE2 . HIS A 1 117 ? -25.534 -8.246 16.260 1.00 27.93 ? 458 HIS A NE2 1 ATOM 886 N N . THR A 1 118 ? -19.220 -6.092 15.193 1.00 24.91 ? 459 THR A N 1 ATOM 887 C CA . THR A 1 118 ? -17.785 -5.942 15.395 1.00 25.34 ? 459 THR A CA 1 ATOM 888 C C . THR A 1 118 ? -17.460 -6.365 16.823 1.00 25.37 ? 459 THR A C 1 ATOM 889 O O . THR A 1 118 ? -16.534 -7.153 17.049 1.00 27.01 ? 459 THR A O 1 ATOM 890 C CB . THR A 1 118 ? -17.375 -4.505 15.170 1.00 23.72 ? 459 THR A CB 1 ATOM 891 O OG1 . THR A 1 118 ? -18.131 -3.663 16.049 1.00 26.13 ? 459 THR A OG1 1 ATOM 892 C CG2 . THR A 1 118 ? -17.651 -4.119 13.722 1.00 22.45 ? 459 THR A CG2 1 ATOM 893 N N . ALA A 1 119 ? -18.214 -5.814 17.779 1.00 24.79 ? 460 ALA A N 1 ATOM 894 C CA . ALA A 1 119 ? -18.118 -6.132 19.224 1.00 24.68 ? 460 ALA A CA 1 ATOM 895 C C . ALA A 1 119 ? -19.173 -5.363 19.994 1.00 25.12 ? 460 ALA A C 1 ATOM 896 O O . ALA A 1 119 ? -19.592 -4.280 19.579 1.00 25.28 ? 460 ALA A O 1 ATOM 897 C CB . ALA A 1 119 ? -16.739 -5.798 19.817 1.00 23.66 ? 460 ALA A CB 1 ATOM 898 N N . VAL A 1 120 ? -19.647 -5.918 21.105 1.00 25.73 ? 461 VAL A N 1 ATOM 899 C CA . VAL A 1 120 ? -20.628 -5.187 21.912 1.00 25.96 ? 461 VAL A CA 1 ATOM 900 C C . VAL A 1 120 ? -19.922 -3.875 22.314 1.00 27.06 ? 461 VAL A C 1 ATOM 901 O O . VAL A 1 120 ? -18.694 -3.841 22.488 1.00 26.90 ? 461 VAL A O 1 ATOM 902 C CB . VAL A 1 120 ? -21.001 -5.929 23.201 1.00 25.79 ? 461 VAL A CB 1 ATOM 903 C CG1 . VAL A 1 120 ? -21.860 -5.032 24.084 1.00 24.98 ? 461 VAL A CG1 1 ATOM 904 C CG2 . VAL A 1 120 ? -21.745 -7.198 22.873 1.00 26.40 ? 461 VAL A CG2 1 ATOM 905 N N . ASP A 1 121 ? -20.708 -2.813 22.473 1.00 28.79 ? 462 ASP A N 1 ATOM 906 C CA . ASP A 1 121 ? -20.247 -1.471 22.827 1.00 29.17 ? 462 ASP A CA 1 ATOM 907 C C . ASP A 1 121 ? -19.543 -0.676 21.736 1.00 28.92 ? 462 ASP A C 1 ATOM 908 O O . ASP A 1 121 ? -19.059 0.428 22.014 1.00 30.72 ? 462 ASP A O 1 ATOM 909 C CB . ASP A 1 121 ? -19.368 -1.484 24.073 1.00 30.35 ? 462 ASP A CB 1 ATOM 910 C CG . ASP A 1 121 ? -20.163 -1.712 25.336 1.00 33.75 ? 462 ASP A CG 1 ATOM 911 O OD1 . ASP A 1 121 ? -21.411 -1.654 25.272 1.00 34.46 ? 462 ASP A OD1 1 ATOM 912 O OD2 . ASP A 1 121 ? -19.541 -1.945 26.393 1.00 36.98 ? 462 ASP A OD2 1 ATOM 913 N N . ARG A 1 122 ? -19.456 -1.195 20.514 1.00 28.37 ? 463 ARG A N 1 ATOM 914 C CA . ARG A 1 122 ? -18.816 -0.407 19.469 1.00 28.85 ? 463 ARG A CA 1 ATOM 915 C C . ARG A 1 122 ? -19.860 0.410 18.698 1.00 28.19 ? 463 ARG A C 1 ATOM 916 O O . ARG A 1 122 ? -21.061 0.130 18.739 1.00 28.03 ? 463 ARG A O 1 ATOM 917 C CB . ARG A 1 122 ? -17.942 -1.300 18.571 1.00 29.60 ? 463 ARG A CB 1 ATOM 918 C CG . ARG A 1 122 ? -16.685 -1.741 19.351 1.00 29.59 ? 463 ARG A CG 1 ATOM 919 C CD . ARG A 1 122 ? -15.653 -2.500 18.529 1.00 29.65 ? 463 ARG A CD 1 ATOM 920 N NE . ARG A 1 122 ? -15.339 -1.873 17.250 1.00 32.16 ? 463 ARG A NE 1 ATOM 921 C CZ . ARG A 1 122 ? -14.308 -2.232 16.489 1.00 34.74 ? 463 ARG A CZ 1 ATOM 922 N NH1 . ARG A 1 122 ? -13.495 -3.201 16.892 1.00 34.96 ? 463 ARG A NH1 1 ATOM 923 N NH2 . ARG A 1 122 ? -14.095 -1.644 15.320 1.00 34.81 ? 463 ARG A NH2 1 ATOM 924 N N . THR A 1 123 ? -19.417 1.445 18.009 1.00 27.37 ? 464 THR A N 1 ATOM 925 C CA . THR A 1 123 ? -20.369 2.309 17.321 1.00 27.51 ? 464 THR A CA 1 ATOM 926 C C . THR A 1 123 ? -21.229 1.700 16.238 1.00 28.42 ? 464 THR A C 1 ATOM 927 O O . THR A 1 123 ? -22.448 1.622 16.365 1.00 27.64 ? 464 THR A O 1 ATOM 928 C CB . THR A 1 123 ? -19.663 3.555 16.755 1.00 26.31 ? 464 THR A CB 1 ATOM 929 O OG1 . THR A 1 123 ? -18.918 4.195 17.807 1.00 27.55 ? 464 THR A OG1 1 ATOM 930 C CG2 . THR A 1 123 ? -20.683 4.525 16.193 1.00 26.11 ? 464 THR A CG2 1 ATOM 931 N N . ALA A 1 124 ? -20.585 1.256 15.177 1.00 27.93 ? 465 ALA A N 1 ATOM 932 C CA . ALA A 1 124 ? -21.309 0.679 14.071 1.00 28.44 ? 465 ALA A CA 1 ATOM 933 C C . ALA A 1 124 ? -21.756 -0.734 14.324 1.00 28.55 ? 465 ALA A C 1 ATOM 934 O O . ALA A 1 124 ? -22.818 -1.136 13.859 1.00 30.93 ? 465 ALA A O 1 ATOM 935 C CB . ALA A 1 124 ? -20.464 0.745 12.796 1.00 27.06 ? 465 ALA A CB 1 ATOM 936 N N . GLY A 1 125 ? -20.976 -1.498 15.067 1.00 28.06 ? 466 GLY A N 1 ATOM 937 C CA . GLY A 1 125 ? -21.386 -2.871 15.278 1.00 27.84 ? 466 GLY A CA 1 ATOM 938 C C . GLY A 1 125 ? -22.374 -3.130 16.387 1.00 28.81 ? 466 GLY A C 1 ATOM 939 O O . GLY A 1 125 ? -22.943 -4.227 16.483 1.00 27.18 ? 466 GLY A O 1 ATOM 940 N N . TRP A 1 126 ? -22.651 -2.110 17.182 1.00 28.65 ? 467 TRP A N 1 ATOM 941 C CA . TRP A 1 126 ? -23.547 -2.327 18.278 1.00 30.29 ? 467 TRP A CA 1 ATOM 942 C C . TRP A 1 126 ? -24.442 -1.169 18.707 1.00 30.12 ? 467 TRP A C 1 ATOM 943 O O . TRP A 1 126 ? -25.655 -1.276 18.636 1.00 29.68 ? 467 TRP A O 1 ATOM 944 C CB . TRP A 1 126 ? -22.725 -2.807 19.450 1.00 30.52 ? 467 TRP A CB 1 ATOM 945 C CG . TRP A 1 126 ? -23.536 -3.198 20.637 1.00 30.23 ? 467 TRP A CG 1 ATOM 946 C CD1 . TRP A 1 126 ? -23.903 -2.398 21.681 1.00 30.65 ? 467 TRP A CD1 1 ATOM 947 C CD2 . TRP A 1 126 ? -24.192 -4.455 20.841 1.00 29.91 ? 467 TRP A CD2 1 ATOM 948 N NE1 . TRP A 1 126 ? -24.752 -3.079 22.524 1.00 31.15 ? 467 TRP A NE1 1 ATOM 949 C CE2 . TRP A 1 126 ? -24.949 -4.346 22.030 1.00 30.40 ? 467 TRP A CE2 1 ATOM 950 C CE3 . TRP A 1 126 ? -24.216 -5.669 20.137 1.00 28.79 ? 467 TRP A CE3 1 ATOM 951 C CZ2 . TRP A 1 126 ? -25.731 -5.394 22.525 1.00 29.11 ? 467 TRP A CZ2 1 ATOM 952 C CZ3 . TRP A 1 126 ? -24.994 -6.717 20.631 1.00 29.41 ? 467 TRP A CZ3 1 ATOM 953 C CH2 . TRP A 1 126 ? -25.741 -6.568 21.814 1.00 29.93 ? 467 TRP A CH2 1 ATOM 954 N N . ASN A 1 127 ? -23.847 -0.069 19.163 1.00 30.04 ? 468 ASN A N 1 ATOM 955 C CA . ASN A 1 127 ? -24.635 1.065 19.636 1.00 30.00 ? 468 ASN A CA 1 ATOM 956 C C . ASN A 1 127 ? -25.632 1.597 18.620 1.00 30.41 ? 468 ASN A C 1 ATOM 957 O O . ASN A 1 127 ? -26.797 1.824 18.942 1.00 30.09 ? 468 ASN A O 1 ATOM 958 C CB . ASN A 1 127 ? -23.717 2.186 20.142 1.00 29.66 ? 468 ASN A CB 1 ATOM 959 C CG . ASN A 1 127 ? -22.906 1.754 21.355 1.00 30.43 ? 468 ASN A CG 1 ATOM 960 O OD1 . ASN A 1 127 ? -23.199 0.721 21.953 1.00 31.82 ? 468 ASN A OD1 1 ATOM 961 N ND2 . ASN A 1 127 ? -21.901 2.544 21.735 1.00 30.39 ? 468 ASN A ND2 1 ATOM 962 N N . ILE A 1 128 ? -25.203 1.774 17.375 1.00 30.52 ? 469 ILE A N 1 ATOM 963 C CA . ILE A 1 128 ? -26.118 2.312 16.366 1.00 31.69 ? 469 ILE A CA 1 ATOM 964 C C . ILE A 1 128 ? -27.258 1.325 16.109 1.00 33.50 ? 469 ILE A C 1 ATOM 965 O O . ILE A 1 128 ? -28.410 1.588 16.472 1.00 34.22 ? 469 ILE A O 1 ATOM 966 C CB . ILE A 1 128 ? -25.376 2.683 15.074 1.00 30.92 ? 469 ILE A CB 1 ATOM 967 C CG1 . ILE A 1 128 ? -24.350 3.796 15.364 1.00 31.14 ? 469 ILE A CG1 1 ATOM 968 C CG2 . ILE A 1 128 ? -26.376 3.144 14.002 1.00 30.78 ? 469 ILE A CG2 1 ATOM 969 C CD1 . ILE A 1 128 ? -24.901 4.993 16.120 1.00 29.59 ? 469 ILE A CD1 1 ATOM 970 N N . PRO A 1 129 ? -26.952 0.163 15.507 1.00 34.96 ? 470 PRO A N 1 ATOM 971 C CA . PRO A 1 129 ? -28.008 -0.818 15.205 1.00 35.82 ? 470 PRO A CA 1 ATOM 972 C C . PRO A 1 129 ? -28.916 -1.260 16.337 1.00 36.21 ? 470 PRO A C 1 ATOM 973 O O . PRO A 1 129 ? -30.131 -1.406 16.131 1.00 38.20 ? 470 PRO A O 1 ATOM 974 C CB . PRO A 1 129 ? -27.240 -2.003 14.630 1.00 35.41 ? 470 PRO A CB 1 ATOM 975 C CG . PRO A 1 129 ? -25.917 -1.939 15.321 1.00 36.18 ? 470 PRO A CG 1 ATOM 976 C CD . PRO A 1 129 ? -25.613 -0.446 15.384 1.00 35.41 ? 470 PRO A CD 1 ATOM 977 N N . MET A 1 130 ? -28.343 -1.475 17.514 1.00 36.07 ? 471 MET A N 1 ATOM 978 C CA . MET A 1 130 ? -29.118 -1.937 18.632 1.00 37.29 ? 471 MET A CA 1 ATOM 979 C C . MET A 1 130 ? -29.950 -0.846 19.241 1.00 38.00 ? 471 MET A C 1 ATOM 980 O O . MET A 1 130 ? -31.066 -1.095 19.710 1.00 37.30 ? 471 MET A O 1 ATOM 981 C CB . MET A 1 130 ? -28.186 -2.588 19.651 1.00 37.60 ? 471 MET A CB 1 ATOM 982 C CG . MET A 1 130 ? -27.558 -3.856 19.096 1.00 38.70 ? 471 MET A CG 1 ATOM 983 S SD . MET A 1 130 ? -28.759 -5.186 18.873 1.00 41.92 ? 471 MET A SD 1 ATOM 984 C CE . MET A 1 130 ? -27.990 -6.107 17.653 1.00 40.03 ? 471 MET A CE 1 ATOM 985 N N . GLY A 1 131 ? -29.404 0.363 19.232 1.00 39.55 ? 472 GLY A N 1 ATOM 986 C CA . GLY A 1 131 ? -30.152 1.485 19.744 1.00 40.52 ? 472 GLY A CA 1 ATOM 987 C C . GLY A 1 131 ? -31.320 1.638 18.764 1.00 41.68 ? 472 GLY A C 1 ATOM 988 O O . GLY A 1 131 ? -32.464 1.823 19.175 1.00 41.65 ? 472 GLY A O 1 ATOM 989 N N . LEU A 1 132 ? -31.067 1.546 17.457 1.00 41.89 ? 473 LEU A N 1 ATOM 990 C CA . LEU A 1 132 ? -32.163 1.672 16.491 1.00 42.99 ? 473 LEU A CA 1 ATOM 991 C C . LEU A 1 132 ? -33.224 0.604 16.749 1.00 44.94 ? 473 LEU A C 1 ATOM 992 O O . LEU A 1 132 ? -34.407 0.917 16.871 1.00 45.09 ? 473 LEU A O 1 ATOM 993 C CB . LEU A 1 132 ? -31.643 1.577 15.047 1.00 40.46 ? 473 LEU A CB 1 ATOM 994 C CG . LEU A 1 132 ? -30.817 2.799 14.600 1.00 40.65 ? 473 LEU A CG 1 ATOM 995 C CD1 . LEU A 1 132 ? -30.094 2.491 13.291 1.00 38.63 ? 473 LEU A CD1 1 ATOM 996 C CD2 . LEU A 1 132 ? -31.736 4.023 14.442 1.00 39.41 ? 473 LEU A CD2 1 ATOM 997 N N . ILE A 1 133 ? -32.793 -0.651 16.853 1.00 45.59 ? 474 ILE A N 1 ATOM 998 C CA . ILE A 1 133 ? -33.715 -1.756 17.075 1.00 46.27 ? 474 ILE A CA 1 ATOM 999 C C . ILE A 1 133 ? -34.527 -1.605 18.356 1.00 47.44 ? 474 ILE A C 1 ATOM 1000 O O . ILE A 1 133 ? -35.752 -1.672 18.330 1.00 47.66 ? 474 ILE A O 1 ATOM 1001 C CB . ILE A 1 133 ? -32.960 -3.105 17.044 1.00 45.63 ? 474 ILE A CB 1 ATOM 1002 C CG1 . ILE A 1 133 ? -32.548 -3.417 15.592 1.00 44.65 ? 474 ILE A CG1 1 ATOM 1003 C CG2 . ILE A 1 133 ? -33.829 -4.201 17.616 1.00 46.13 ? 474 ILE A CG2 1 ATOM 1004 C CD1 . ILE A 1 133 ? -31.442 -4.464 15.458 1.00 42.85 ? 474 ILE A CD1 1 ATOM 1005 N N . VAL A 1 134 ? -33.840 -1.391 19.470 1.00 49.28 ? 475 VAL A N 1 ATOM 1006 C CA . VAL A 1 134 ? -34.497 -1.195 20.752 1.00 49.82 ? 475 VAL A CA 1 ATOM 1007 C C . VAL A 1 134 ? -35.565 -0.109 20.571 1.00 50.92 ? 475 VAL A C 1 ATOM 1008 O O . VAL A 1 134 ? -36.723 -0.288 20.945 1.00 51.09 ? 475 VAL A O 1 ATOM 1009 C CB . VAL A 1 134 ? -33.460 -0.775 21.830 1.00 49.42 ? 475 VAL A CB 1 ATOM 1010 C CG1 . VAL A 1 134 ? -34.156 -0.202 23.064 1.00 49.64 ? 475 VAL A CG1 1 ATOM 1011 C CG2 . VAL A 1 134 ? -32.621 -1.989 22.215 1.00 49.20 ? 475 VAL A CG2 1 ATOM 1012 N N . ASN A 1 135 ? -35.171 1.014 19.977 1.00 51.03 ? 476 ASN A N 1 ATOM 1013 C CA . ASN A 1 135 ? -36.097 2.117 19.731 1.00 51.50 ? 476 ASN A CA 1 ATOM 1014 C C . ASN A 1 135 ? -37.300 1.689 18.924 1.00 53.01 ? 476 ASN A C 1 ATOM 1015 O O . ASN A 1 135 ? -38.441 2.019 19.259 1.00 54.17 ? 476 ASN A O 1 ATOM 1016 C CB . ASN A 1 135 ? -35.401 3.244 18.995 1.00 49.91 ? 476 ASN A CB 1 ATOM 1017 C CG . ASN A 1 135 ? -34.751 4.209 19.931 1.00 48.39 ? 476 ASN A CG 1 ATOM 1018 O OD1 . ASN A 1 135 ? -34.665 3.977 21.114 1.00 48.24 ? 476 ASN A OD1 1 ATOM 1019 N ND2 . ASN A 1 135 ? -34.276 5.312 19.403 1.00 45.23 ? 476 ASN A ND2 1 ATOM 1020 N N . GLN A 1 136 ? -37.035 0.947 17.856 1.00 53.94 ? 477 GLN A N 1 ATOM 1021 C CA . GLN A 1 136 ? -38.086 0.489 16.969 1.00 55.05 ? 477 GLN A CA 1 ATOM 1022 C C . GLN A 1 136 ? -38.988 -0.605 17.514 1.00 55.28 ? 477 GLN A C 1 ATOM 1023 O O . GLN A 1 136 ? -40.174 -0.632 17.221 1.00 55.99 ? 477 GLN A O 1 ATOM 1024 C CB . GLN A 1 136 ? -37.482 0.073 15.631 1.00 55.62 ? 477 GLN A CB 1 ATOM 1025 C CG . GLN A 1 136 ? -37.083 1.264 14.755 1.00 57.27 ? 477 GLN A CG 1 ATOM 1026 C CD . GLN A 1 136 ? -36.387 0.848 13.473 1.00 58.39 ? 477 GLN A CD 1 ATOM 1027 O OE1 . GLN A 1 136 ? -36.334 -0.335 13.138 1.00 58.56 ? 477 GLN A OE1 1 ATOM 1028 N NE2 . GLN A 1 136 ? -35.856 1.825 12.745 1.00 58.49 ? 477 GLN A NE2 1 ATOM 1029 N N . THR A 1 137 ? -38.446 -1.498 18.320 1.00 55.72 ? 478 THR A N 1 ATOM 1030 C CA . THR A 1 137 ? -39.265 -2.565 18.876 1.00 56.52 ? 478 THR A CA 1 ATOM 1031 C C . THR A 1 137 ? -39.875 -2.182 20.220 1.00 56.90 ? 478 THR A C 1 ATOM 1032 O O . THR A 1 137 ? -40.813 -2.836 20.692 1.00 57.44 ? 478 THR A O 1 ATOM 1033 C CB . THR A 1 137 ? -38.445 -3.825 19.102 1.00 56.20 ? 478 THR A CB 1 ATOM 1034 O OG1 . THR A 1 137 ? -37.368 -3.531 20.006 1.00 57.21 ? 478 THR A OG1 1 ATOM 1035 C CG2 . THR A 1 137 ? -37.877 -4.336 17.793 1.00 55.70 ? 478 THR A CG2 1 ATOM 1036 N N . GLY A 1 138 ? -39.335 -1.130 20.834 1.00 56.90 ? 479 GLY A N 1 ATOM 1037 C CA . GLY A 1 138 ? -39.820 -0.693 22.131 1.00 56.22 ? 479 GLY A CA 1 ATOM 1038 C C . GLY A 1 138 ? -39.427 -1.694 23.217 1.00 56.58 ? 479 GLY A C 1 ATOM 1039 O O . GLY A 1 138 ? -40.013 -1.698 24.300 1.00 57.26 ? 479 GLY A O 1 ATOM 1040 N N . SER A 1 139 ? -38.439 -2.553 22.949 1.00 56.71 ? 480 SER A N 1 ATOM 1041 C CA . SER A 1 139 ? -38.004 -3.572 23.926 1.00 56.96 ? 480 SER A CA 1 ATOM 1042 C C . SER A 1 139 ? -36.509 -3.523 24.230 1.00 57.04 ? 480 SER A C 1 ATOM 1043 O O . SER A 1 139 ? -35.699 -3.242 23.343 1.00 58.03 ? 480 SER A O 1 ATOM 1044 C CB . SER A 1 139 ? -38.353 -4.975 23.415 1.00 57.08 ? 480 SER A CB 1 ATOM 1045 O OG . SER A 1 139 ? -37.729 -5.992 24.192 1.00 58.39 ? 480 SER A OG 1 ATOM 1046 N N . CYS A 1 140 ? -36.144 -3.797 25.478 1.00 56.78 ? 481 CYS A N 1 ATOM 1047 C CA . CYS A 1 140 ? -34.738 -3.810 25.872 1.00 56.76 ? 481 CYS A CA 1 ATOM 1048 C C . CYS A 1 140 ? -34.150 -5.208 25.687 1.00 55.64 ? 481 CYS A C 1 ATOM 1049 O O . CYS A 1 140 ? -32.971 -5.436 25.959 1.00 56.29 ? 481 CYS A O 1 ATOM 1050 C CB . CYS A 1 140 ? -34.581 -3.403 27.333 1.00 57.82 ? 481 CYS A CB 1 ATOM 1051 S SG . CYS A 1 140 ? -34.395 -1.623 27.706 1.00 59.66 ? 481 CYS A SG 1 ATOM 1052 N N . ALA A 1 141 ? -34.958 -6.148 25.215 1.00 54.67 ? 482 ALA A N 1 ATOM 1053 C CA . ALA A 1 141 ? -34.460 -7.504 25.020 1.00 54.36 ? 482 ALA A CA 1 ATOM 1054 C C . ALA A 1 141 ? -33.742 -7.727 23.676 1.00 53.64 ? 482 ALA A C 1 ATOM 1055 O O . ALA A 1 141 ? -34.106 -8.633 22.917 1.00 53.18 ? 482 ALA A O 1 ATOM 1056 C CB . ALA A 1 141 ? -35.618 -8.509 25.206 1.00 53.97 ? 482 ALA A CB 1 ATOM 1057 N N . PHE A 1 142 ? -32.723 -6.905 23.400 1.00 53.04 ? 483 PHE A N 1 ATOM 1058 C CA . PHE A 1 142 ? -31.955 -7.017 22.157 1.00 52.48 ? 483 PHE A CA 1 ATOM 1059 C C . PHE A 1 142 ? -31.190 -8.349 22.098 1.00 52.36 ? 483 PHE A C 1 ATOM 1060 O O . PHE A 1 142 ? -30.725 -8.764 21.029 1.00 52.01 ? 483 PHE A O 1 ATOM 1061 C CB . PHE A 1 142 ? -30.984 -5.819 21.975 1.00 51.91 ? 483 PHE A CB 1 ATOM 1062 C CG . PHE A 1 142 ? -30.123 -5.535 23.168 1.00 50.26 ? 483 PHE A CG 1 ATOM 1063 C CD1 . PHE A 1 142 ? -30.241 -4.327 23.842 1.00 50.85 ? 483 PHE A CD1 1 ATOM 1064 C CD2 . PHE A 1 142 ? -29.188 -6.461 23.611 1.00 50.22 ? 483 PHE A CD2 1 ATOM 1065 C CE1 . PHE A 1 142 ? -29.439 -4.045 24.942 1.00 50.97 ? 483 PHE A CE1 1 ATOM 1066 C CE2 . PHE A 1 142 ? -28.384 -6.188 24.712 1.00 49.62 ? 483 PHE A CE2 1 ATOM 1067 C CZ . PHE A 1 142 ? -28.512 -4.980 25.377 1.00 50.45 ? 483 PHE A CZ 1 ATOM 1068 N N . ASP A 1 143 ? -31.064 -9.010 23.252 1.00 52.62 ? 484 ASP A N 1 ATOM 1069 C CA . ASP A 1 143 ? -30.398 -10.317 23.363 1.00 52.66 ? 484 ASP A CA 1 ATOM 1070 C C . ASP A 1 143 ? -31.293 -11.355 22.669 1.00 51.66 ? 484 ASP A C 1 ATOM 1071 O O . ASP A 1 143 ? -30.844 -12.455 22.324 1.00 52.61 ? 484 ASP A O 1 ATOM 1072 C CB . ASP A 1 143 ? -30.243 -10.728 24.837 1.00 53.64 ? 484 ASP A CB 1 ATOM 1073 C CG . ASP A 1 143 ? -31.580 -10.709 25.602 1.00 55.90 ? 484 ASP A CG 1 ATOM 1074 O OD1 . ASP A 1 143 ? -32.590 -10.226 25.042 1.00 56.26 ? 484 ASP A OD1 1 ATOM 1075 O OD2 . ASP A 1 143 ? -31.614 -11.163 26.771 1.00 57.65 ? 484 ASP A OD2 1 ATOM 1076 N N . GLU A 1 144 ? -32.563 -10.995 22.479 1.00 50.74 ? 485 GLU A N 1 ATOM 1077 C CA . GLU A 1 144 ? -33.563 -11.869 21.872 1.00 50.85 ? 485 GLU A CA 1 ATOM 1078 C C . GLU A 1 144 ? -34.060 -11.418 20.501 1.00 49.63 ? 485 GLU A C 1 ATOM 1079 O O . GLU A 1 144 ? -35.001 -12.007 19.958 1.00 51.37 ? 485 GLU A O 1 ATOM 1080 C CB . GLU A 1 144 ? -34.751 -12.007 22.839 1.00 51.81 ? 485 GLU A CB 1 ATOM 1081 C CG . GLU A 1 144 ? -34.516 -12.994 24.000 1.00 54.21 ? 485 GLU A CG 1 ATOM 1082 C CD . GLU A 1 144 ? -35.435 -12.778 25.204 1.00 56.37 ? 485 GLU A CD 1 ATOM 1083 O OE1 . GLU A 1 144 ? -35.171 -13.401 26.255 1.00 56.94 ? 485 GLU A OE1 1 ATOM 1084 O OE2 . GLU A 1 144 ? -36.411 -12.000 25.109 1.00 56.87 ? 485 GLU A OE2 1 ATOM 1085 N N . PHE A 1 145 ? -33.443 -10.382 19.936 1.00 47.59 ? 486 PHE A N 1 ATOM 1086 C CA . PHE A 1 145 ? -33.889 -9.917 18.626 1.00 46.01 ? 486 PHE A CA 1 ATOM 1087 C C . PHE A 1 145 ? -33.384 -10.835 17.525 1.00 45.36 ? 486 PHE A C 1 ATOM 1088 O O . PHE A 1 145 ? -34.163 -11.244 16.665 1.00 46.34 ? 486 PHE A O 1 ATOM 1089 C CB . PHE A 1 145 ? -33.421 -8.500 18.312 1.00 45.60 ? 486 PHE A CB 1 ATOM 1090 C CG . PHE A 1 145 ? -34.089 -7.903 17.100 1.00 45.98 ? 486 PHE A CG 1 ATOM 1091 C CD1 . PHE A 1 145 ? -35.448 -7.599 17.124 1.00 45.33 ? 486 PHE A CD1 1 ATOM 1092 C CD2 . PHE A 1 145 ? -33.375 -7.672 15.924 1.00 46.63 ? 486 PHE A CD2 1 ATOM 1093 C CE1 . PHE A 1 145 ? -36.094 -7.067 16.000 1.00 44.80 ? 486 PHE A CE1 1 ATOM 1094 C CE2 . PHE A 1 145 ? -34.012 -7.136 14.788 1.00 46.34 ? 486 PHE A CE2 1 ATOM 1095 C CZ . PHE A 1 145 ? -35.373 -6.834 14.829 1.00 45.34 ? 486 PHE A CZ 1 ATOM 1096 N N . PHE A 1 146 ? -32.091 -11.149 17.528 1.00 43.75 ? 487 PHE A N 1 ATOM 1097 C CA . PHE A 1 146 ? -31.529 -12.037 16.511 1.00 42.26 ? 487 PHE A CA 1 ATOM 1098 C C . PHE A 1 146 ? -31.565 -13.455 17.081 1.00 42.92 ? 487 PHE A C 1 ATOM 1099 O O . PHE A 1 146 ? -31.390 -13.650 18.288 1.00 44.56 ? 487 PHE A O 1 ATOM 1100 C CB . PHE A 1 146 ? -30.093 -11.622 16.172 1.00 38.92 ? 487 PHE A CB 1 ATOM 1101 C CG . PHE A 1 146 ? -29.989 -10.260 15.526 1.00 35.52 ? 487 PHE A CG 1 ATOM 1102 C CD1 . PHE A 1 146 ? -30.327 -10.070 14.182 1.00 34.51 ? 487 PHE A CD1 1 ATOM 1103 C CD2 . PHE A 1 146 ? -29.617 -9.152 16.277 1.00 35.01 ? 487 PHE A CD2 1 ATOM 1104 C CE1 . PHE A 1 146 ? -30.307 -8.794 13.609 1.00 32.53 ? 487 PHE A CE1 1 ATOM 1105 C CE2 . PHE A 1 146 ? -29.594 -7.879 15.710 1.00 33.48 ? 487 PHE A CE2 1 ATOM 1106 C CZ . PHE A 1 146 ? -29.943 -7.701 14.374 1.00 32.95 ? 487 PHE A CZ 1 ATOM 1107 N N . SER A 1 147 ? -31.832 -14.443 16.231 1.00 42.45 ? 488 SER A N 1 ATOM 1108 C CA . SER A 1 147 ? -31.888 -15.825 16.698 1.00 42.32 ? 488 SER A CA 1 ATOM 1109 C C . SER A 1 147 ? -30.510 -16.186 17.211 1.00 41.71 ? 488 SER A C 1 ATOM 1110 O O . SER A 1 147 ? -30.361 -16.805 18.253 1.00 41.76 ? 488 SER A O 1 ATOM 1111 C CB . SER A 1 147 ? -32.253 -16.766 15.553 1.00 42.91 ? 488 SER A CB 1 ATOM 1112 O OG . SER A 1 147 ? -31.201 -16.819 14.606 1.00 43.87 ? 488 SER A OG 1 ATOM 1113 N N . GLN A 1 148 ? -29.496 -15.791 16.445 1.00 40.99 ? 489 GLN A N 1 ATOM 1114 C CA . GLN A 1 148 ? -28.102 -16.049 16.788 1.00 38.70 ? 489 GLN A CA 1 ATOM 1115 C C . GLN A 1 148 ? -27.233 -14.899 16.320 1.00 37.14 ? 489 GLN A C 1 ATOM 1116 O O . GLN A 1 148 ? -27.552 -14.216 15.344 1.00 37.78 ? 489 GLN A O 1 ATOM 1117 C CB . GLN A 1 148 ? -27.614 -17.351 16.151 1.00 39.43 ? 489 GLN A CB 1 ATOM 1118 C CG . GLN A 1 148 ? -28.264 -18.577 16.745 1.00 41.32 ? 489 GLN A CG 1 ATOM 1119 C CD . GLN A 1 148 ? -27.639 -19.877 16.277 1.00 43.47 ? 489 GLN A CD 1 ATOM 1120 O OE1 . GLN A 1 148 ? -27.212 -20.701 17.093 1.00 44.64 ? 489 GLN A OE1 1 ATOM 1121 N NE2 . GLN A 1 148 ? -27.590 -20.077 14.962 1.00 43.54 ? 489 GLN A NE2 1 ATOM 1122 N N . SER A 1 149 ? -26.124 -14.682 17.019 1.00 35.33 ? 490 SER A N 1 ATOM 1123 C CA . SER A 1 149 ? -25.220 -13.593 16.668 1.00 33.79 ? 490 SER A CA 1 ATOM 1124 C C . SER A 1 149 ? -23.807 -13.867 17.068 1.00 32.82 ? 490 SER A C 1 ATOM 1125 O O . SER A 1 149 ? -23.513 -14.790 17.850 1.00 34.03 ? 490 SER A O 1 ATOM 1126 C CB . SER A 1 149 ? -25.569 -12.311 17.398 1.00 34.03 ? 490 SER A CB 1 ATOM 1127 O OG . SER A 1 149 ? -26.943 -12.001 17.387 1.00 36.36 ? 490 SER A OG 1 ATOM 1128 N N . CYS A 1 150 ? -22.902 -13.096 16.488 1.00 31.06 ? 491 CYS A N 1 ATOM 1129 C CA . CYS A 1 150 ? -21.548 -13.139 16.980 1.00 29.86 ? 491 CYS A CA 1 ATOM 1130 C C . CYS A 1 150 ? -21.342 -11.656 17.395 1.00 28.10 ? 491 CYS A C 1 ATOM 1131 O O . CYS A 1 150 ? -21.265 -10.734 16.556 1.00 27.79 ? 491 CYS A O 1 ATOM 1132 C CB . CYS A 1 150 ? -20.457 -13.563 15.965 1.00 30.76 ? 491 CYS A CB 1 ATOM 1133 S SG . CYS A 1 150 ? -18.801 -13.246 16.726 1.00 31.30 ? 491 CYS A SG 1 ATOM 1134 N N . ALA A 1 151 ? -21.327 -11.409 18.703 1.00 27.49 ? 492 ALA A N 1 ATOM 1135 C CA . ALA A 1 151 ? -21.122 -10.058 19.260 1.00 26.13 ? 492 ALA A CA 1 ATOM 1136 C C . ALA A 1 151 ? -20.010 -10.130 20.305 1.00 26.89 ? 492 ALA A C 1 ATOM 1137 O O . ALA A 1 151 ? -20.287 -10.209 21.506 1.00 26.81 ? 492 ALA A O 1 ATOM 1138 C CB . ALA A 1 151 ? -22.394 -9.545 19.909 1.00 23.36 ? 492 ALA A CB 1 ATOM 1139 N N . PRO A 1 152 ? -18.739 -10.118 19.862 1.00 26.92 ? 493 PRO A N 1 ATOM 1140 C CA . PRO A 1 152 ? -17.619 -10.178 20.799 1.00 28.11 ? 493 PRO A CA 1 ATOM 1141 C C . PRO A 1 152 ? -17.851 -9.292 22.003 1.00 29.20 ? 493 PRO A C 1 ATOM 1142 O O . PRO A 1 152 ? -18.262 -8.141 21.865 1.00 30.41 ? 493 PRO A O 1 ATOM 1143 C CB . PRO A 1 152 ? -16.446 -9.699 19.962 1.00 27.98 ? 493 PRO A CB 1 ATOM 1144 C CG . PRO A 1 152 ? -16.759 -10.247 18.614 1.00 29.05 ? 493 PRO A CG 1 ATOM 1145 C CD . PRO A 1 152 ? -18.268 -10.043 18.470 1.00 26.71 ? 493 PRO A CD 1 ATOM 1146 N N . GLY A 1 153 ? -17.580 -9.835 23.184 1.00 30.18 ? 494 GLY A N 1 ATOM 1147 C CA . GLY A 1 153 ? -17.769 -9.079 24.406 1.00 31.06 ? 494 GLY A CA 1 ATOM 1148 C C . GLY A 1 153 ? -19.023 -9.483 25.158 1.00 32.03 ? 494 GLY A C 1 ATOM 1149 O O . GLY A 1 153 ? -19.172 -9.141 26.338 1.00 32.75 ? 494 GLY A O 1 ATOM 1150 N N . ALA A 1 154 ? -19.935 -10.184 24.491 1.00 32.75 ? 495 ALA A N 1 ATOM 1151 C CA . ALA A 1 154 ? -21.172 -10.625 25.145 1.00 34.35 ? 495 ALA A CA 1 ATOM 1152 C C . ALA A 1 154 ? -20.915 -11.971 25.846 1.00 35.00 ? 495 ALA A C 1 ATOM 1153 O O . ALA A 1 154 ? -19.808 -12.508 25.759 1.00 35.69 ? 495 ALA A O 1 ATOM 1154 C CB . ALA A 1 154 ? -22.312 -10.742 24.113 1.00 34.40 ? 495 ALA A CB 1 ATOM 1155 N N . ASP A 1 155 ? -21.912 -12.512 26.543 1.00 36.88 ? 496 ASP A N 1 ATOM 1156 C CA . ASP A 1 155 ? -21.743 -13.772 27.268 1.00 38.09 ? 496 ASP A CA 1 ATOM 1157 C C . ASP A 1 155 ? -21.541 -14.958 26.338 1.00 38.11 ? 496 ASP A C 1 ATOM 1158 O O . ASP A 1 155 ? -22.437 -15.320 25.578 1.00 38.17 ? 496 ASP A O 1 ATOM 1159 C CB . ASP A 1 155 ? -22.956 -13.979 28.225 1.00 39.42 ? 496 ASP A CB 1 ATOM 1160 C CG . ASP A 1 155 ? -22.984 -15.351 28.906 1.00 41.11 ? 496 ASP A CG 1 ATOM 1161 O OD1 . ASP A 1 155 ? -22.021 -16.121 28.771 1.00 42.72 ? 496 ASP A OD1 1 ATOM 1162 O OD2 . ASP A 1 155 ? -23.991 -15.653 29.591 1.00 42.36 ? 496 ASP A OD2 1 ATOM 1163 N N . PRO A 1 156 ? -20.338 -15.571 26.385 1.00 38.16 ? 497 PRO A N 1 ATOM 1164 C CA . PRO A 1 156 ? -19.936 -16.727 25.553 1.00 37.95 ? 497 PRO A CA 1 ATOM 1165 C C . PRO A 1 156 ? -20.973 -17.851 25.402 1.00 38.34 ? 497 PRO A C 1 ATOM 1166 O O . PRO A 1 156 ? -21.030 -18.522 24.367 1.00 36.59 ? 497 PRO A O 1 ATOM 1167 C CB . PRO A 1 156 ? -18.655 -17.238 26.237 1.00 38.13 ? 497 PRO A CB 1 ATOM 1168 C CG . PRO A 1 156 ? -18.125 -16.035 26.937 1.00 37.33 ? 497 PRO A CG 1 ATOM 1169 C CD . PRO A 1 156 ? -19.340 -15.298 27.436 1.00 37.07 ? 497 PRO A CD 1 ATOM 1170 N N . LYS A 1 157 ? -21.772 -18.038 26.447 1.00 39.27 ? 498 LYS A N 1 ATOM 1171 C CA . LYS A 1 157 ? -22.827 -19.049 26.500 1.00 40.75 ? 498 LYS A CA 1 ATOM 1172 C C . LYS A 1 157 ? -24.095 -18.605 25.794 1.00 40.39 ? 498 LYS A C 1 ATOM 1173 O O . LYS A 1 157 ? -24.874 -19.431 25.308 1.00 40.88 ? 498 LYS A O 1 ATOM 1174 C CB . LYS A 1 157 ? -23.282 -19.258 27.920 1.00 42.26 ? 498 LYS A CB 1 ATOM 1175 C CG . LYS A 1 157 ? -22.795 -20.429 28.677 1.00 44.93 ? 498 LYS A CG 1 ATOM 1176 C CD . LYS A 1 157 ? -23.629 -20.517 29.960 1.00 45.73 ? 498 LYS A CD 1 ATOM 1177 C CE . LYS A 1 157 ? -24.167 -19.147 30.433 1.00 46.01 ? 498 LYS A CE 1 ATOM 1178 N NZ . LYS A 1 157 ? -23.181 -18.276 31.144 1.00 48.88 ? 498 LYS A NZ 1 ATOM 1179 N N . SER A 1 158 ? -24.338 -17.301 25.825 1.00 39.85 ? 499 SER A N 1 ATOM 1180 C CA . SER A 1 158 ? -25.541 -16.739 25.236 1.00 39.29 ? 499 SER A CA 1 ATOM 1181 C C . SER A 1 158 ? -25.552 -16.800 23.726 1.00 38.42 ? 499 SER A C 1 ATOM 1182 O O . SER A 1 158 ? -24.504 -16.953 23.095 1.00 37.78 ? 499 SER A O 1 ATOM 1183 C CB . SER A 1 158 ? -25.720 -15.294 25.681 1.00 38.48 ? 499 SER A CB 1 ATOM 1184 O OG . SER A 1 158 ? -25.056 -14.438 24.781 1.00 41.00 ? 499 SER A OG 1 ATOM 1185 N N . ARG A 1 159 ? -26.740 -16.652 23.150 1.00 37.38 ? 500 ARG A N 1 ATOM 1186 C CA . ARG A 1 159 ? -26.868 -16.725 21.710 1.00 37.30 ? 500 ARG A CA 1 ATOM 1187 C C . ARG A 1 159 ? -26.259 -15.518 20.988 1.00 35.36 ? 500 ARG A C 1 ATOM 1188 O O . ARG A 1 159 ? -26.105 -15.532 19.763 1.00 35.01 ? 500 ARG A O 1 ATOM 1189 C CB . ARG A 1 159 ? -28.340 -16.970 21.324 1.00 39.51 ? 500 ARG A CB 1 ATOM 1190 C CG . ARG A 1 159 ? -29.164 -15.772 21.001 1.00 43.41 ? 500 ARG A CG 1 ATOM 1191 C CD . ARG A 1 159 ? -29.912 -15.270 22.211 1.00 48.28 ? 500 ARG A CD 1 ATOM 1192 N NE . ARG A 1 159 ? -31.349 -15.152 21.965 1.00 51.84 ? 500 ARG A NE 1 ATOM 1193 C CZ . ARG A 1 159 ? -32.194 -16.178 21.945 1.00 53.73 ? 500 ARG A CZ 1 ATOM 1194 N NH1 . ARG A 1 159 ? -31.748 -17.407 22.154 1.00 53.22 ? 500 ARG A NH1 1 ATOM 1195 N NH2 . ARG A 1 159 ? -33.489 -15.972 21.735 1.00 54.36 ? 500 ARG A NH2 1 ATOM 1196 N N . LEU A 1 160 ? -25.883 -14.492 21.752 1.00 33.62 ? 501 LEU A N 1 ATOM 1197 C CA . LEU A 1 160 ? -25.238 -13.314 21.170 1.00 32.20 ? 501 LEU A CA 1 ATOM 1198 C C . LEU A 1 160 ? -23.787 -13.686 20.796 1.00 32.32 ? 501 LEU A C 1 ATOM 1199 O O . LEU A 1 160 ? -23.126 -12.963 20.053 1.00 32.21 ? 501 LEU A O 1 ATOM 1200 C CB . LEU A 1 160 ? -25.245 -12.128 22.151 1.00 30.13 ? 501 LEU A CB 1 ATOM 1201 C CG . LEU A 1 160 ? -26.561 -11.342 22.132 1.00 31.17 ? 501 LEU A CG 1 ATOM 1202 C CD1 . LEU A 1 160 ? -26.524 -10.308 23.265 1.00 29.29 ? 501 LEU A CD1 1 ATOM 1203 C CD2 . LEU A 1 160 ? -26.766 -10.664 20.749 1.00 27.86 ? 501 LEU A CD2 1 ATOM 1204 N N . CYS A 1 161 ? -23.285 -14.808 21.315 1.00 31.80 ? 502 CYS A N 1 ATOM 1205 C CA . CYS A 1 161 ? -21.928 -15.266 21.003 1.00 32.09 ? 502 CYS A CA 1 ATOM 1206 C C . CYS A 1 161 ? -21.965 -16.544 20.145 1.00 31.90 ? 502 CYS A C 1 ATOM 1207 O O . CYS A 1 161 ? -20.935 -16.989 19.627 1.00 32.32 ? 502 CYS A O 1 ATOM 1208 C CB . CYS A 1 161 ? -21.167 -15.572 22.281 1.00 31.02 ? 502 CYS A CB 1 ATOM 1209 S SG . CYS A 1 161 ? -20.458 -14.138 23.136 1.00 30.57 ? 502 CYS A SG 1 ATOM 1210 N N . ALA A 1 162 ? -23.152 -17.111 19.958 1.00 31.86 ? 503 ALA A N 1 ATOM 1211 C CA . ALA A 1 162 ? -23.303 -18.367 19.219 1.00 31.97 ? 503 ALA A CA 1 ATOM 1212 C C . ALA A 1 162 ? -22.608 -18.556 17.901 1.00 31.75 ? 503 ALA A C 1 ATOM 1213 O O . ALA A 1 162 ? -22.164 -19.661 17.580 1.00 32.89 ? 503 ALA A O 1 ATOM 1214 C CB . ALA A 1 162 ? -24.791 -18.716 19.062 1.00 31.46 ? 503 ALA A CB 1 ATOM 1215 N N . LEU A 1 163 ? -22.506 -17.489 17.138 1.00 32.59 ? 504 LEU A N 1 ATOM 1216 C CA . LEU A 1 163 ? -21.897 -17.579 15.840 1.00 32.93 ? 504 LEU A CA 1 ATOM 1217 C C . LEU A 1 163 ? -20.413 -17.256 15.849 1.00 33.52 ? 504 LEU A C 1 ATOM 1218 O O . LEU A 1 163 ? -19.758 -17.340 14.810 1.00 34.92 ? 504 LEU A O 1 ATOM 1219 C CB . LEU A 1 163 ? -22.659 -16.656 14.886 1.00 32.89 ? 504 LEU A CB 1 ATOM 1220 C CG . LEU A 1 163 ? -23.892 -17.077 14.051 1.00 34.29 ? 504 LEU A CG 1 ATOM 1221 C CD1 . LEU A 1 163 ? -24.591 -18.306 14.633 1.00 35.40 ? 504 LEU A CD1 1 ATOM 1222 C CD2 . LEU A 1 163 ? -24.853 -15.888 14.002 1.00 34.07 ? 504 LEU A CD2 1 ATOM 1223 N N . CYS A 1 164 ? -19.879 -16.882 17.007 1.00 33.62 ? 505 CYS A N 1 ATOM 1224 C CA . CYS A 1 164 ? -18.465 -16.559 17.073 1.00 33.72 ? 505 CYS A CA 1 ATOM 1225 C C . CYS A 1 164 ? -17.688 -17.852 17.040 1.00 34.41 ? 505 CYS A C 1 ATOM 1226 O O . CYS A 1 164 ? -18.120 -18.867 17.588 1.00 34.23 ? 505 CYS A O 1 ATOM 1227 C CB . CYS A 1 164 ? -18.120 -15.803 18.348 1.00 31.92 ? 505 CYS A CB 1 ATOM 1228 S SG . CYS A 1 164 ? -18.895 -14.155 18.551 1.00 33.20 ? 505 CYS A SG 1 ATOM 1229 N N . ALA A 1 165 ? -16.514 -17.801 16.430 1.00 34.50 ? 506 ALA A N 1 ATOM 1230 C CA . ALA A 1 165 ? -15.703 -18.984 16.285 1.00 33.27 ? 506 ALA A CA 1 ATOM 1231 C C . ALA A 1 165 ? -14.466 -19.086 17.136 1.00 33.32 ? 506 ALA A C 1 ATOM 1232 O O . ALA A 1 165 ? -13.780 -20.102 17.081 1.00 35.35 ? 506 ALA A O 1 ATOM 1233 C CB . ALA A 1 165 ? -15.325 -19.138 14.832 1.00 32.50 ? 506 ALA A CB 1 ATOM 1234 N N . GLY A 1 166 ? -14.143 -18.069 17.912 1.00 32.54 ? 507 GLY A N 1 ATOM 1235 C CA . GLY A 1 166 ? -12.921 -18.200 18.687 1.00 33.08 ? 507 GLY A CA 1 ATOM 1236 C C . GLY A 1 166 ? -11.687 -18.147 17.780 1.00 33.77 ? 507 GLY A C 1 ATOM 1237 O O . GLY A 1 166 ? -11.784 -17.781 16.600 1.00 30.97 ? 507 GLY A O 1 ATOM 1238 N N . ASP A 1 167 ? -10.528 -18.540 18.311 1.00 35.60 ? 508 ASP A N 1 ATOM 1239 C CA . ASP A 1 167 ? -9.268 -18.517 17.553 1.00 37.43 ? 508 ASP A CA 1 ATOM 1240 C C . ASP A 1 167 ? -8.933 -19.763 16.726 1.00 39.17 ? 508 ASP A C 1 ATOM 1241 O O . ASP A 1 167 ? -9.790 -20.621 16.521 1.00 40.95 ? 508 ASP A O 1 ATOM 1242 C CB . ASP A 1 167 ? -8.093 -18.176 18.488 1.00 36.27 ? 508 ASP A CB 1 ATOM 1243 C CG . ASP A 1 167 ? -7.709 -19.313 19.437 1.00 36.50 ? 508 ASP A CG 1 ATOM 1244 O OD1 . ASP A 1 167 ? -8.193 -20.452 19.269 1.00 36.28 ? 508 ASP A OD1 1 ATOM 1245 O OD2 . ASP A 1 167 ? -6.891 -19.059 20.353 1.00 37.74 ? 508 ASP A OD2 1 ATOM 1246 N N . ASP A 1 168 ? -7.687 -19.846 16.252 0.50 41.31 ? 509 ASP A N 1 ATOM 1247 C CA . ASP A 1 168 ? -7.228 -20.963 15.423 0.50 43.50 ? 509 ASP A CA 1 ATOM 1248 C C . ASP A 1 168 ? -7.554 -22.332 16.002 0.50 44.33 ? 509 ASP A C 1 ATOM 1249 O O . ASP A 1 168 ? -7.887 -23.264 15.264 0.50 44.27 ? 509 ASP A O 1 ATOM 1250 C CB . ASP A 1 168 ? -5.714 -20.843 15.126 0.50 44.99 ? 509 ASP A CB 1 ATOM 1251 C CG . ASP A 1 168 ? -4.834 -20.956 16.372 0.50 47.17 ? 509 ASP A CG 1 ATOM 1252 O OD1 . ASP A 1 168 ? -5.065 -20.216 17.351 0.50 48.39 ? 509 ASP A OD1 1 ATOM 1253 O OD2 . ASP A 1 168 ? -3.886 -21.775 16.360 0.50 47.46 ? 509 ASP A OD2 1 ATOM 1254 N N . GLN A 1 169 ? -7.490 -22.438 17.325 1.00 45.95 ? 510 GLN A N 1 ATOM 1255 C CA . GLN A 1 169 ? -7.786 -23.692 18.012 1.00 47.88 ? 510 GLN A CA 1 ATOM 1256 C C . GLN A 1 169 ? -9.195 -23.647 18.598 1.00 47.47 ? 510 GLN A C 1 ATOM 1257 O O . GLN A 1 169 ? -9.531 -24.444 19.475 1.00 48.60 ? 510 GLN A O 1 ATOM 1258 C CB . GLN A 1 169 ? -6.800 -23.923 19.161 1.00 49.11 ? 510 GLN A CB 1 ATOM 1259 C CG . GLN A 1 169 ? -5.368 -23.474 18.900 1.00 51.25 ? 510 GLN A CG 1 ATOM 1260 C CD . GLN A 1 169 ? -4.478 -23.649 20.121 1.00 53.98 ? 510 GLN A CD 1 ATOM 1261 O OE1 . GLN A 1 169 ? -4.407 -24.735 20.696 1.00 53.76 ? 510 GLN A OE1 1 ATOM 1262 N NE2 . GLN A 1 169 ? -3.790 -22.580 20.518 1.00 54.27 ? 510 GLN A NE2 1 ATOM 1263 N N . GLY A 1 170 ? -10.020 -22.713 18.136 1.00 47.18 ? 511 GLY A N 1 ATOM 1264 C CA . GLY A 1 170 ? -11.371 -22.626 18.666 1.00 45.80 ? 511 GLY A CA 1 ATOM 1265 C C . GLY A 1 170 ? -11.438 -22.159 20.110 1.00 45.00 ? 511 GLY A C 1 ATOM 1266 O O . GLY A 1 170 ? -12.434 -22.411 20.795 1.00 45.92 ? 511 GLY A O 1 ATOM 1267 N N . LEU A 1 171 ? -10.377 -21.516 20.602 1.00 43.56 ? 512 LEU A N 1 ATOM 1268 C CA . LEU A 1 171 ? -10.370 -21.021 21.979 1.00 41.71 ? 512 LEU A CA 1 ATOM 1269 C C . LEU A 1 171 ? -10.728 -19.557 21.912 1.00 40.57 ? 512 LEU A C 1 ATOM 1270 O O . LEU A 1 171 ? -10.760 -18.952 20.835 1.00 40.19 ? 512 LEU A O 1 ATOM 1271 C CB . LEU A 1 171 ? -8.992 -21.105 22.647 1.00 42.15 ? 512 LEU A CB 1 ATOM 1272 C CG . LEU A 1 171 ? -8.239 -22.416 22.883 1.00 43.23 ? 512 LEU A CG 1 ATOM 1273 C CD1 . LEU A 1 171 ? -7.151 -22.167 23.943 1.00 42.11 ? 512 LEU A CD1 1 ATOM 1274 C CD2 . LEU A 1 171 ? -9.211 -23.505 23.356 1.00 41.19 ? 512 LEU A CD2 1 ATOM 1275 N N . ASP A 1 172 ? -11.005 -18.983 23.076 1.00 39.59 ? 513 ASP A N 1 ATOM 1276 C CA . ASP A 1 172 ? -11.323 -17.570 23.173 1.00 38.76 ? 513 ASP A CA 1 ATOM 1277 C C . ASP A 1 172 ? -12.565 -17.125 22.433 1.00 37.49 ? 513 ASP A C 1 ATOM 1278 O O . ASP A 1 172 ? -12.710 -15.955 22.100 1.00 37.30 ? 513 ASP A O 1 ATOM 1279 C CB . ASP A 1 172 ? -10.121 -16.779 22.693 1.00 40.55 ? 513 ASP A CB 1 ATOM 1280 C CG . ASP A 1 172 ? -9.025 -16.724 23.737 1.00 42.88 ? 513 ASP A CG 1 ATOM 1281 O OD1 . ASP A 1 172 ? -9.196 -17.364 24.798 1.00 43.24 ? 513 ASP A OD1 1 ATOM 1282 O OD2 . ASP A 1 172 ? -8.006 -16.036 23.505 1.00 45.24 ? 513 ASP A OD2 1 ATOM 1283 N N . LYS A 1 173 ? -13.460 -18.072 22.193 1.00 35.84 ? 514 LYS A N 1 ATOM 1284 C CA . LYS A 1 173 ? -14.704 -17.810 21.494 1.00 34.04 ? 514 LYS A CA 1 ATOM 1285 C C . LYS A 1 173 ? -15.378 -16.564 22.032 1.00 32.59 ? 514 LYS A C 1 ATOM 1286 O O . LYS A 1 173 ? -15.640 -16.455 23.229 1.00 32.63 ? 514 LYS A O 1 ATOM 1287 C CB . LYS A 1 173 ? -15.665 -18.975 21.662 1.00 34.20 ? 514 LYS A CB 1 ATOM 1288 C CG . LYS A 1 173 ? -16.676 -19.052 20.529 1.00 36.89 ? 514 LYS A CG 1 ATOM 1289 C CD . LYS A 1 173 ? -17.564 -20.276 20.623 1.00 39.58 ? 514 LYS A CD 1 ATOM 1290 C CE . LYS A 1 173 ? -19.009 -19.909 20.912 1.00 41.96 ? 514 LYS A CE 1 ATOM 1291 N NZ . LYS A 1 173 ? -19.598 -19.011 19.891 1.00 42.38 ? 514 LYS A NZ 1 ATOM 1292 N N . CYS A 1 174 ? -15.655 -15.620 21.149 1.00 30.68 ? 515 CYS A N 1 ATOM 1293 C CA . CYS A 1 174 ? -16.327 -14.396 21.525 1.00 29.54 ? 515 CYS A CA 1 ATOM 1294 C C . CYS A 1 174 ? -15.553 -13.334 22.304 1.00 29.05 ? 515 CYS A C 1 ATOM 1295 O O . CYS A 1 174 ? -16.149 -12.344 22.763 1.00 31.13 ? 515 CYS A O 1 ATOM 1296 C CB . CYS A 1 174 ? -17.618 -14.742 22.270 1.00 28.29 ? 515 CYS A CB 1 ATOM 1297 S SG . CYS A 1 174 ? -18.991 -13.612 21.831 1.00 28.52 ? 515 CYS A SG 1 ATOM 1298 N N . VAL A 1 175 ? -14.247 -13.508 22.479 1.00 27.72 ? 516 VAL A N 1 ATOM 1299 C CA . VAL A 1 175 ? -13.510 -12.476 23.193 1.00 28.29 ? 516 VAL A CA 1 ATOM 1300 C C . VAL A 1 175 ? -13.478 -11.249 22.297 1.00 27.63 ? 516 VAL A C 1 ATOM 1301 O O . VAL A 1 175 ? -13.355 -11.356 21.067 1.00 26.99 ? 516 VAL A O 1 ATOM 1302 C CB . VAL A 1 175 ? -12.031 -12.855 23.546 1.00 28.92 ? 516 VAL A CB 1 ATOM 1303 C CG1 . VAL A 1 175 ? -12.024 -14.023 24.502 1.00 29.16 ? 516 VAL A CG1 1 ATOM 1304 C CG2 . VAL A 1 175 ? -11.202 -13.167 22.265 1.00 28.47 ? 516 VAL A CG2 1 ATOM 1305 N N . PRO A 1 176 ? -13.607 -10.055 22.898 1.00 27.33 ? 517 PRO A N 1 ATOM 1306 C CA . PRO A 1 176 ? -13.579 -8.840 22.088 1.00 26.55 ? 517 PRO A CA 1 ATOM 1307 C C . PRO A 1 176 ? -12.177 -8.391 21.744 1.00 26.52 ? 517 PRO A C 1 ATOM 1308 O O . PRO A 1 176 ? -11.719 -7.335 22.176 1.00 27.06 ? 517 PRO A O 1 ATOM 1309 C CB . PRO A 1 176 ? -14.355 -7.835 22.938 1.00 25.87 ? 517 PRO A CB 1 ATOM 1310 C CG . PRO A 1 176 ? -14.011 -8.234 24.312 1.00 25.63 ? 517 PRO A CG 1 ATOM 1311 C CD . PRO A 1 176 ? -13.921 -9.760 24.305 1.00 25.02 ? 517 PRO A CD 1 ATOM 1312 N N . ASN A 1 177 ? -11.450 -9.261 21.060 1.00 26.03 ? 518 ASN A N 1 ATOM 1313 C CA . ASN A 1 177 ? -10.141 -8.891 20.564 1.00 25.86 ? 518 ASN A CA 1 ATOM 1314 C C . ASN A 1 177 ? -9.907 -9.709 19.325 1.00 26.31 ? 518 ASN A C 1 ATOM 1315 O O . ASN A 1 177 ? -10.692 -10.628 19.018 1.00 26.03 ? 518 ASN A O 1 ATOM 1316 C CB . ASN A 1 177 ? -8.983 -9.028 21.592 1.00 25.77 ? 518 ASN A CB 1 ATOM 1317 C CG . ASN A 1 177 ? -8.681 -10.427 21.980 1.00 25.00 ? 518 ASN A CG 1 ATOM 1318 O OD1 . ASN A 1 177 ? -8.729 -11.341 21.165 1.00 26.76 ? 518 ASN A OD1 1 ATOM 1319 N ND2 . ASN A 1 177 ? -8.325 -10.609 23.244 1.00 22.53 ? 518 ASN A ND2 1 ATOM 1320 N N . SER A 1 178 ? -8.857 -9.356 18.585 1.00 26.98 ? 519 SER A N 1 ATOM 1321 C CA . SER A 1 178 ? -8.563 -9.990 17.307 1.00 28.37 ? 519 SER A CA 1 ATOM 1322 C C . SER A 1 178 ? -8.375 -11.480 17.299 1.00 28.79 ? 519 SER A C 1 ATOM 1323 O O . SER A 1 178 ? -8.351 -12.086 16.233 1.00 30.77 ? 519 SER A O 1 ATOM 1324 C CB . SER A 1 178 ? -7.368 -9.307 16.638 1.00 28.49 ? 519 SER A CB 1 ATOM 1325 O OG . SER A 1 178 ? -6.168 -9.586 17.321 1.00 29.32 ? 519 SER A OG 1 ATOM 1326 N N . LYS A 1 179 ? -8.251 -12.086 18.467 1.00 29.15 ? 520 LYS A N 1 ATOM 1327 C CA . LYS A 1 179 ? -8.112 -13.523 18.485 1.00 30.24 ? 520 LYS A CA 1 ATOM 1328 C C . LYS A 1 179 ? -9.411 -14.157 17.952 1.00 30.03 ? 520 LYS A C 1 ATOM 1329 O O . LYS A 1 179 ? -9.366 -15.199 17.305 1.00 29.34 ? 520 LYS A O 1 ATOM 1330 C CB . LYS A 1 179 ? -7.812 -14.010 19.898 1.00 31.07 ? 520 LYS A CB 1 ATOM 1331 C CG . LYS A 1 179 ? -6.375 -13.802 20.314 1.00 34.35 ? 520 LYS A CG 1 ATOM 1332 C CD . LYS A 1 179 ? -6.054 -14.729 21.480 1.00 39.51 ? 520 LYS A CD 1 ATOM 1333 C CE . LYS A 1 179 ? -6.282 -16.208 21.106 1.00 41.21 ? 520 LYS A CE 1 ATOM 1334 N NZ . LYS A 1 179 ? -6.224 -17.167 22.265 1.00 41.60 ? 520 LYS A NZ 1 ATOM 1335 N N . GLU A 1 180 ? -10.566 -13.538 18.226 1.00 29.78 ? 521 GLU A N 1 ATOM 1336 C CA . GLU A 1 180 ? -11.869 -14.045 17.756 1.00 29.51 ? 521 GLU A CA 1 ATOM 1337 C C . GLU A 1 180 ? -11.967 -13.784 16.227 1.00 29.43 ? 521 GLU A C 1 ATOM 1338 O O . GLU A 1 180 ? -11.840 -12.647 15.751 1.00 30.58 ? 521 GLU A O 1 ATOM 1339 C CB . GLU A 1 180 ? -13.005 -13.338 18.529 1.00 28.17 ? 521 GLU A CB 1 ATOM 1340 C CG . GLU A 1 180 ? -14.357 -13.278 17.835 1.00 27.16 ? 521 GLU A CG 1 ATOM 1341 C CD . GLU A 1 180 ? -14.925 -14.646 17.519 1.00 28.38 ? 521 GLU A CD 1 ATOM 1342 O OE1 . GLU A 1 180 ? -15.031 -15.480 18.440 1.00 29.37 ? 521 GLU A OE1 1 ATOM 1343 O OE2 . GLU A 1 180 ? -15.283 -14.887 16.348 1.00 29.96 ? 521 GLU A OE2 1 ATOM 1344 N N . LYS A 1 181 ? -12.165 -14.854 15.467 1.00 29.25 ? 522 LYS A N 1 ATOM 1345 C CA . LYS A 1 181 ? -12.247 -14.808 14.004 1.00 30.37 ? 522 LYS A CA 1 ATOM 1346 C C . LYS A 1 181 ? -13.168 -13.708 13.474 1.00 29.85 ? 522 LYS A C 1 ATOM 1347 O O . LYS A 1 181 ? -12.848 -12.988 12.512 1.00 28.67 ? 522 LYS A O 1 ATOM 1348 C CB . LYS A 1 181 ? -12.719 -16.190 13.495 1.00 31.63 ? 522 LYS A CB 1 ATOM 1349 C CG . LYS A 1 181 ? -12.423 -16.550 12.024 1.00 34.83 ? 522 LYS A CG 1 ATOM 1350 C CD . LYS A 1 181 ? -13.354 -17.698 11.555 1.00 38.81 ? 522 LYS A CD 1 ATOM 1351 C CE . LYS A 1 181 ? -12.706 -18.622 10.509 1.00 40.93 ? 522 LYS A CE 1 ATOM 1352 N NZ . LYS A 1 181 ? -13.580 -19.753 10.033 1.00 41.90 ? 522 LYS A NZ 1 ATOM 1353 N N . TYR A 1 182 ? -14.314 -13.575 14.127 1.00 29.21 ? 523 TYR A N 1 ATOM 1354 C CA . TYR A 1 182 ? -15.316 -12.615 13.717 1.00 27.81 ? 523 TYR A CA 1 ATOM 1355 C C . TYR A 1 182 ? -15.343 -11.285 14.470 1.00 26.98 ? 523 TYR A C 1 ATOM 1356 O O . TYR A 1 182 ? -16.331 -10.563 14.449 1.00 25.92 ? 523 TYR A O 1 ATOM 1357 C CB . TYR A 1 182 ? -16.679 -13.306 13.755 1.00 28.34 ? 523 TYR A CB 1 ATOM 1358 C CG . TYR A 1 182 ? -16.731 -14.540 12.865 1.00 28.13 ? 523 TYR A CG 1 ATOM 1359 C CD1 . TYR A 1 182 ? -16.154 -14.520 11.602 1.00 30.33 ? 523 TYR A CD1 1 ATOM 1360 C CD2 . TYR A 1 182 ? -17.350 -15.720 13.281 1.00 29.24 ? 523 TYR A CD2 1 ATOM 1361 C CE1 . TYR A 1 182 ? -16.172 -15.632 10.778 1.00 30.42 ? 523 TYR A CE1 1 ATOM 1362 C CE2 . TYR A 1 182 ? -17.377 -16.846 12.459 1.00 29.71 ? 523 TYR A CE2 1 ATOM 1363 C CZ . TYR A 1 182 ? -16.786 -16.787 11.210 1.00 30.75 ? 523 TYR A CZ 1 ATOM 1364 O OH . TYR A 1 182 ? -16.782 -17.893 10.391 1.00 32.67 ? 523 TYR A OH 1 ATOM 1365 N N . TYR A 1 183 ? -14.229 -10.945 15.106 1.00 26.37 ? 524 TYR A N 1 ATOM 1366 C CA . TYR A 1 183 ? -14.125 -9.692 15.864 1.00 25.78 ? 524 TYR A CA 1 ATOM 1367 C C . TYR A 1 183 ? -13.863 -8.472 14.989 1.00 26.66 ? 524 TYR A C 1 ATOM 1368 O O . TYR A 1 183 ? -13.180 -8.573 13.969 1.00 26.56 ? 524 TYR A O 1 ATOM 1369 C CB . TYR A 1 183 ? -12.985 -9.762 16.860 1.00 24.27 ? 524 TYR A CB 1 ATOM 1370 C CG . TYR A 1 183 ? -12.715 -8.440 17.557 1.00 22.92 ? 524 TYR A CG 1 ATOM 1371 C CD1 . TYR A 1 183 ? -13.578 -7.970 18.532 1.00 23.60 ? 524 TYR A CD1 1 ATOM 1372 C CD2 . TYR A 1 183 ? -11.640 -7.627 17.184 1.00 23.24 ? 524 TYR A CD2 1 ATOM 1373 C CE1 . TYR A 1 183 ? -13.391 -6.729 19.137 1.00 23.89 ? 524 TYR A CE1 1 ATOM 1374 C CE2 . TYR A 1 183 ? -11.442 -6.370 17.782 1.00 23.68 ? 524 TYR A CE2 1 ATOM 1375 C CZ . TYR A 1 183 ? -12.328 -5.932 18.758 1.00 23.91 ? 524 TYR A CZ 1 ATOM 1376 O OH . TYR A 1 183 ? -12.159 -4.706 19.362 1.00 26.38 ? 524 TYR A OH 1 ATOM 1377 N N . GLY A 1 184 ? -14.404 -7.318 15.378 1.00 26.60 ? 525 GLY A N 1 ATOM 1378 C CA . GLY A 1 184 ? -14.147 -6.101 14.632 1.00 26.19 ? 525 GLY A CA 1 ATOM 1379 C C . GLY A 1 184 ? -14.800 -5.888 13.298 1.00 27.21 ? 525 GLY A C 1 ATOM 1380 O O . GLY A 1 184 ? -15.645 -6.662 12.895 1.00 27.32 ? 525 GLY A O 1 ATOM 1381 N N . TYR A 1 185 ? -14.414 -4.824 12.606 1.00 26.67 ? 526 TYR A N 1 ATOM 1382 C CA . TYR A 1 185 ? -15.017 -4.565 11.305 1.00 27.98 ? 526 TYR A CA 1 ATOM 1383 C C . TYR A 1 185 ? -14.785 -5.709 10.324 1.00 28.77 ? 526 TYR A C 1 ATOM 1384 O O . TYR A 1 185 ? -15.706 -6.122 9.621 1.00 28.99 ? 526 TYR A O 1 ATOM 1385 C CB . TYR A 1 185 ? -14.454 -3.315 10.654 1.00 26.44 ? 526 TYR A CB 1 ATOM 1386 C CG . TYR A 1 185 ? -14.741 -2.026 11.359 1.00 26.95 ? 526 TYR A CG 1 ATOM 1387 C CD1 . TYR A 1 185 ? -16.044 -1.542 11.497 1.00 25.75 ? 526 TYR A CD1 1 ATOM 1388 C CD2 . TYR A 1 185 ? -13.694 -1.264 11.864 1.00 26.94 ? 526 TYR A CD2 1 ATOM 1389 C CE1 . TYR A 1 185 ? -16.284 -0.330 12.121 1.00 26.77 ? 526 TYR A CE1 1 ATOM 1390 C CE2 . TYR A 1 185 ? -13.917 -0.061 12.485 1.00 26.53 ? 526 TYR A CE2 1 ATOM 1391 C CZ . TYR A 1 185 ? -15.202 0.404 12.613 1.00 27.94 ? 526 TYR A CZ 1 ATOM 1392 O OH . TYR A 1 185 ? -15.379 1.601 13.246 1.00 28.80 ? 526 TYR A OH 1 ATOM 1393 N N . THR A 1 186 ? -13.549 -6.204 10.269 1.00 28.66 ? 527 THR A N 1 ATOM 1394 C CA . THR A 1 186 ? -13.178 -7.269 9.339 1.00 30.50 ? 527 THR A CA 1 ATOM 1395 C C . THR A 1 186 ? -13.841 -8.599 9.668 1.00 30.01 ? 527 THR A C 1 ATOM 1396 O O . THR A 1 186 ? -14.414 -9.256 8.783 1.00 29.50 ? 527 THR A O 1 ATOM 1397 C CB . THR A 1 186 ? -11.619 -7.429 9.285 1.00 32.36 ? 527 THR A CB 1 ATOM 1398 O OG1 . THR A 1 186 ? -11.022 -6.147 9.009 1.00 32.88 ? 527 THR A OG1 1 ATOM 1399 C CG2 . THR A 1 186 ? -11.221 -8.392 8.177 1.00 30.86 ? 527 THR A CG2 1 ATOM 1400 N N . GLY A 1 187 ? -13.771 -8.967 10.948 1.00 30.16 ? 528 GLY A N 1 ATOM 1401 C CA . GLY A 1 187 ? -14.371 -10.196 11.429 1.00 29.22 ? 528 GLY A CA 1 ATOM 1402 C C . GLY A 1 187 ? -15.890 -10.187 11.270 1.00 28.90 ? 528 GLY A C 1 ATOM 1403 O O . GLY A 1 187 ? -16.453 -11.205 10.876 1.00 29.79 ? 528 GLY A O 1 ATOM 1404 N N . ALA A 1 188 ? -16.577 -9.084 11.558 1.00 28.55 ? 529 ALA A N 1 ATOM 1405 C CA . ALA A 1 188 ? -18.029 -9.092 11.384 1.00 29.17 ? 529 ALA A CA 1 ATOM 1406 C C . ALA A 1 188 ? -18.355 -9.262 9.902 1.00 29.68 ? 529 ALA A C 1 ATOM 1407 O O . ALA A 1 188 ? -19.308 -9.955 9.548 1.00 30.90 ? 529 ALA A O 1 ATOM 1408 C CB . ALA A 1 188 ? -18.659 -7.801 11.926 1.00 28.47 ? 529 ALA A CB 1 ATOM 1409 N N . PHE A 1 189 ? -17.565 -8.645 9.029 1.00 29.83 ? 530 PHE A N 1 ATOM 1410 C CA . PHE A 1 189 ? -17.830 -8.768 7.601 1.00 30.60 ? 530 PHE A CA 1 ATOM 1411 C C . PHE A 1 189 ? -17.503 -10.195 7.135 1.00 30.82 ? 530 PHE A C 1 ATOM 1412 O O . PHE A 1 189 ? -18.265 -10.798 6.376 1.00 30.72 ? 530 PHE A O 1 ATOM 1413 C CB . PHE A 1 189 ? -17.026 -7.723 6.817 1.00 31.54 ? 530 PHE A CB 1 ATOM 1414 C CG . PHE A 1 189 ? -17.388 -7.647 5.373 1.00 31.55 ? 530 PHE A CG 1 ATOM 1415 C CD1 . PHE A 1 189 ? -18.683 -7.315 4.977 1.00 31.89 ? 530 PHE A CD1 1 ATOM 1416 C CD2 . PHE A 1 189 ? -16.444 -7.946 4.405 1.00 30.68 ? 530 PHE A CD2 1 ATOM 1417 C CE1 . PHE A 1 189 ? -19.025 -7.277 3.624 1.00 32.52 ? 530 PHE A CE1 1 ATOM 1418 C CE2 . PHE A 1 189 ? -16.772 -7.917 3.053 1.00 31.27 ? 530 PHE A CE2 1 ATOM 1419 C CZ . PHE A 1 189 ? -18.066 -7.584 2.658 1.00 31.78 ? 530 PHE A CZ 1 ATOM 1420 N N . ARG A 1 190 ? -16.384 -10.750 7.587 1.00 30.45 ? 531 ARG A N 1 ATOM 1421 C CA . ARG A 1 190 ? -16.066 -12.121 7.223 1.00 30.54 ? 531 ARG A CA 1 ATOM 1422 C C . ARG A 1 190 ? -17.251 -12.970 7.733 1.00 30.42 ? 531 ARG A C 1 ATOM 1423 O O . ARG A 1 190 ? -17.675 -13.909 7.068 1.00 30.29 ? 531 ARG A O 1 ATOM 1424 C CB . ARG A 1 190 ? -14.774 -12.558 7.906 1.00 30.24 ? 531 ARG A CB 1 ATOM 1425 C CG . ARG A 1 190 ? -14.471 -14.021 7.738 1.00 30.97 ? 531 ARG A CG 1 ATOM 1426 C CD . ARG A 1 190 ? -13.212 -14.367 8.486 1.00 31.86 ? 531 ARG A CD 1 ATOM 1427 N NE . ARG A 1 190 ? -12.688 -15.669 8.094 1.00 33.65 ? 531 ARG A NE 1 ATOM 1428 C CZ . ARG A 1 190 ? -11.455 -16.083 8.365 1.00 34.43 ? 531 ARG A CZ 1 ATOM 1429 N NH1 . ARG A 1 190 ? -10.617 -15.295 9.031 1.00 34.15 ? 531 ARG A NH1 1 ATOM 1430 N NH2 . ARG A 1 190 ? -11.060 -17.282 7.968 1.00 33.98 ? 531 ARG A NH2 1 ATOM 1431 N N . CYS A 1 191 ? -17.794 -12.646 8.912 1.00 31.04 ? 532 CYS A N 1 ATOM 1432 C CA . CYS A 1 191 ? -18.930 -13.408 9.457 1.00 30.74 ? 532 CYS A CA 1 ATOM 1433 C C . CYS A 1 191 ? -20.079 -13.396 8.448 1.00 32.01 ? 532 CYS A C 1 ATOM 1434 O O . CYS A 1 191 ? -20.739 -14.416 8.268 1.00 32.59 ? 532 CYS A O 1 ATOM 1435 C CB . CYS A 1 191 ? -19.373 -12.820 10.789 1.00 30.27 ? 532 CYS A CB 1 ATOM 1436 S SG . CYS A 1 191 ? -20.943 -13.344 11.560 1.00 29.42 ? 532 CYS A SG 1 ATOM 1437 N N . LEU A 1 192 ? -20.312 -12.263 7.778 1.00 32.54 ? 533 LEU A N 1 ATOM 1438 C CA . LEU A 1 192 ? -21.381 -12.175 6.765 1.00 33.00 ? 533 LEU A CA 1 ATOM 1439 C C . LEU A 1 192 ? -20.937 -12.872 5.464 1.00 33.58 ? 533 LEU A C 1 ATOM 1440 O O . LEU A 1 192 ? -21.673 -13.677 4.898 1.00 32.93 ? 533 LEU A O 1 ATOM 1441 C CB . LEU A 1 192 ? -21.724 -10.714 6.443 1.00 32.10 ? 533 LEU A CB 1 ATOM 1442 C CG . LEU A 1 192 ? -22.695 -10.495 5.269 1.00 33.68 ? 533 LEU A CG 1 ATOM 1443 C CD1 . LEU A 1 192 ? -24.133 -10.768 5.731 1.00 32.59 ? 533 LEU A CD1 1 ATOM 1444 C CD2 . LEU A 1 192 ? -22.557 -9.051 4.741 1.00 31.55 ? 533 LEU A CD2 1 ATOM 1445 N N . ALA A 1 193 ? -19.724 -12.564 5.004 1.00 34.70 ? 534 ALA A N 1 ATOM 1446 C CA . ALA A 1 193 ? -19.179 -13.137 3.770 1.00 35.83 ? 534 ALA A CA 1 ATOM 1447 C C . ALA A 1 193 ? -19.205 -14.658 3.752 1.00 36.46 ? 534 ALA A C 1 ATOM 1448 O O . ALA A 1 193 ? -19.269 -15.272 2.682 1.00 37.94 ? 534 ALA A O 1 ATOM 1449 C CB . ALA A 1 193 ? -17.747 -12.638 3.544 1.00 36.27 ? 534 ALA A CB 1 ATOM 1450 N N . GLU A 1 194 ? -19.139 -15.269 4.927 1.00 36.31 ? 535 GLU A N 1 ATOM 1451 C CA . GLU A 1 194 ? -19.176 -16.724 4.995 1.00 37.10 ? 535 GLU A CA 1 ATOM 1452 C C . GLU A 1 194 ? -20.564 -17.234 5.357 1.00 37.63 ? 535 GLU A C 1 ATOM 1453 O O . GLU A 1 194 ? -20.734 -18.381 5.752 1.00 38.40 ? 535 GLU A O 1 ATOM 1454 C CB . GLU A 1 194 ? -18.147 -17.246 6.007 1.00 36.70 ? 535 GLU A CB 1 ATOM 1455 C CG . GLU A 1 194 ? -16.716 -17.002 5.585 1.00 38.77 ? 535 GLU A CG 1 ATOM 1456 C CD . GLU A 1 194 ? -15.711 -17.442 6.625 1.00 40.10 ? 535 GLU A CD 1 ATOM 1457 O OE1 . GLU A 1 194 ? -16.118 -17.758 7.768 1.00 39.51 ? 535 GLU A OE1 1 ATOM 1458 O OE2 . GLU A 1 194 ? -14.504 -17.458 6.297 1.00 40.71 ? 535 GLU A OE2 1 ATOM 1459 N N . ASP A 1 195 ? -21.562 -16.379 5.217 1.00 38.78 ? 536 ASP A N 1 ATOM 1460 C CA . ASP A 1 195 ? -22.928 -16.764 5.534 1.00 39.52 ? 536 ASP A CA 1 ATOM 1461 C C . ASP A 1 195 ? -23.089 -17.408 6.898 1.00 38.74 ? 536 ASP A C 1 ATOM 1462 O O . ASP A 1 195 ? -23.927 -18.299 7.067 1.00 39.40 ? 536 ASP A O 1 ATOM 1463 C CB . ASP A 1 195 ? -23.483 -17.699 4.453 1.00 40.18 ? 536 ASP A CB 1 ATOM 1464 C CG . ASP A 1 195 ? -23.416 -17.087 3.054 1.00 41.99 ? 536 ASP A CG 1 ATOM 1465 O OD1 . ASP A 1 195 ? -23.989 -15.998 2.835 1.00 42.83 ? 536 ASP A OD1 1 ATOM 1466 O OD2 . ASP A 1 195 ? -22.787 -17.708 2.171 1.00 43.36 ? 536 ASP A OD2 1 ATOM 1467 N N . VAL A 1 196 ? -22.252 -17.002 7.853 1.00 37.74 ? 537 VAL A N 1 ATOM 1468 C CA . VAL A 1 196 ? -22.371 -17.502 9.215 1.00 36.14 ? 537 VAL A CA 1 ATOM 1469 C C . VAL A 1 196 ? -23.539 -16.630 9.710 1.00 35.80 ? 537 VAL A C 1 ATOM 1470 O O . VAL A 1 196 ? -24.433 -17.101 10.421 1.00 37.27 ? 537 VAL A O 1 ATOM 1471 C CB . VAL A 1 196 ? -21.099 -17.235 10.065 1.00 36.28 ? 537 VAL A CB 1 ATOM 1472 C CG1 . VAL A 1 196 ? -21.433 -17.414 11.557 1.00 34.42 ? 537 VAL A CG1 1 ATOM 1473 C CG2 . VAL A 1 196 ? -19.997 -18.212 9.661 1.00 33.92 ? 537 VAL A CG2 1 ATOM 1474 N N . GLY A 1 197 ? -23.544 -15.351 9.326 1.00 34.17 ? 538 GLY A N 1 ATOM 1475 C CA . GLY A 1 197 ? -24.633 -14.458 9.705 1.00 33.15 ? 538 GLY A CA 1 ATOM 1476 C C . GLY A 1 197 ? -25.331 -13.965 8.441 1.00 32.21 ? 538 GLY A C 1 ATOM 1477 O O . GLY A 1 197 ? -24.795 -14.085 7.335 1.00 34.36 ? 538 GLY A O 1 ATOM 1478 N N . ASP A 1 198 ? -26.535 -13.428 8.605 1.00 31.74 ? 539 ASP A N 1 ATOM 1479 C CA . ASP A 1 198 ? -27.367 -12.890 7.522 1.00 30.00 ? 539 ASP A CA 1 ATOM 1480 C C . ASP A 1 198 ? -27.049 -11.418 7.270 1.00 28.88 ? 539 ASP A C 1 ATOM 1481 O O . ASP A 1 198 ? -27.190 -10.927 6.144 1.00 28.33 ? 539 ASP A O 1 ATOM 1482 C CB . ASP A 1 198 ? -28.842 -12.951 7.915 1.00 31.75 ? 539 ASP A CB 1 ATOM 1483 C CG . ASP A 1 198 ? -29.340 -14.339 8.059 1.00 33.10 ? 539 ASP A CG 1 ATOM 1484 O OD1 . ASP A 1 198 ? -29.144 -15.109 7.100 1.00 33.99 ? 539 ASP A OD1 1 ATOM 1485 O OD2 . ASP A 1 198 ? -29.930 -14.656 9.113 1.00 32.98 ? 539 ASP A OD2 1 ATOM 1486 N N . VAL A 1 199 ? -26.664 -10.719 8.341 1.00 27.96 ? 540 VAL A N 1 ATOM 1487 C CA . VAL A 1 199 ? -26.364 -9.286 8.321 1.00 28.49 ? 540 VAL A CA 1 ATOM 1488 C C . VAL A 1 199 ? -25.147 -8.929 9.197 1.00 29.96 ? 540 VAL A C 1 ATOM 1489 O O . VAL A 1 199 ? -24.958 -9.493 10.281 1.00 31.00 ? 540 VAL A O 1 ATOM 1490 C CB . VAL A 1 199 ? -27.604 -8.470 8.827 1.00 27.23 ? 540 VAL A CB 1 ATOM 1491 C CG1 . VAL A 1 199 ? -27.873 -8.785 10.314 1.00 25.07 ? 540 VAL A CG1 1 ATOM 1492 C CG2 . VAL A 1 199 ? -27.385 -6.987 8.625 1.00 27.35 ? 540 VAL A CG2 1 ATOM 1493 N N . ALA A 1 200 ? -24.338 -7.986 8.715 1.00 29.91 ? 541 ALA A N 1 ATOM 1494 C CA . ALA A 1 200 ? -23.145 -7.522 9.423 1.00 29.29 ? 541 ALA A CA 1 ATOM 1495 C C . ALA A 1 200 ? -23.268 -6.037 9.681 1.00 29.47 ? 541 ALA A C 1 ATOM 1496 O O . ALA A 1 200 ? -23.654 -5.278 8.786 1.00 29.02 ? 541 ALA A O 1 ATOM 1497 C CB . ALA A 1 200 ? -21.883 -7.769 8.581 1.00 28.05 ? 541 ALA A CB 1 ATOM 1498 N N . PHE A 1 201 ? -22.932 -5.612 10.891 1.00 29.68 ? 542 PHE A N 1 ATOM 1499 C CA . PHE A 1 201 ? -22.984 -4.204 11.204 1.00 29.57 ? 542 PHE A CA 1 ATOM 1500 C C . PHE A 1 201 ? -21.539 -3.704 11.274 1.00 30.08 ? 542 PHE A C 1 ATOM 1501 O O . PHE A 1 201 ? -20.824 -3.872 12.265 1.00 29.93 ? 542 PHE A O 1 ATOM 1502 C CB . PHE A 1 201 ? -23.735 -4.005 12.510 1.00 28.46 ? 542 PHE A CB 1 ATOM 1503 C CG . PHE A 1 201 ? -25.156 -4.465 12.442 1.00 28.22 ? 542 PHE A CG 1 ATOM 1504 C CD1 . PHE A 1 201 ? -26.099 -3.742 11.719 1.00 27.76 ? 542 PHE A CD1 1 ATOM 1505 C CD2 . PHE A 1 201 ? -25.546 -5.626 13.082 1.00 27.08 ? 542 PHE A CD2 1 ATOM 1506 C CE1 . PHE A 1 201 ? -27.412 -4.186 11.632 1.00 27.04 ? 542 PHE A CE1 1 ATOM 1507 C CE2 . PHE A 1 201 ? -26.856 -6.070 12.998 1.00 27.80 ? 542 PHE A CE2 1 ATOM 1508 C CZ . PHE A 1 201 ? -27.790 -5.341 12.277 1.00 27.31 ? 542 PHE A CZ 1 ATOM 1509 N N . VAL A 1 202 ? -21.104 -3.119 10.171 1.00 30.08 ? 543 VAL A N 1 ATOM 1510 C CA . VAL A 1 202 ? -19.762 -2.593 10.043 1.00 30.69 ? 543 VAL A CA 1 ATOM 1511 C C . VAL A 1 202 ? -19.905 -1.183 9.497 1.00 31.78 ? 543 VAL A C 1 ATOM 1512 O O . VAL A 1 202 ? -20.953 -0.550 9.670 1.00 31.74 ? 543 VAL A O 1 ATOM 1513 C CB . VAL A 1 202 ? -18.918 -3.473 9.073 1.00 30.00 ? 543 VAL A CB 1 ATOM 1514 C CG1 . VAL A 1 202 ? -18.771 -4.859 9.657 1.00 30.35 ? 543 VAL A CG1 1 ATOM 1515 C CG2 . VAL A 1 202 ? -19.598 -3.601 7.702 1.00 29.84 ? 543 VAL A CG2 1 ATOM 1516 N N . LYS A 1 203 ? -18.844 -0.671 8.877 1.00 33.14 ? 544 LYS A N 1 ATOM 1517 C CA . LYS A 1 203 ? -18.893 0.657 8.273 1.00 35.26 ? 544 LYS A CA 1 ATOM 1518 C C . LYS A 1 203 ? -18.759 0.506 6.759 1.00 37.12 ? 544 LYS A C 1 ATOM 1519 O O . LYS A 1 203 ? -18.422 -0.562 6.230 1.00 38.08 ? 544 LYS A O 1 ATOM 1520 C CB . LYS A 1 203 ? -17.787 1.594 8.813 1.00 34.36 ? 544 LYS A CB 1 ATOM 1521 C CG . LYS A 1 203 ? -16.383 1.036 8.721 1.00 35.05 ? 544 LYS A CG 1 ATOM 1522 C CD . LYS A 1 203 ? -15.328 1.995 9.250 1.00 33.88 ? 544 LYS A CD 1 ATOM 1523 C CE . LYS A 1 203 ? -13.975 1.304 9.205 1.00 33.39 ? 544 LYS A CE 1 ATOM 1524 N NZ . LYS A 1 203 ? -12.844 2.202 9.562 1.00 34.26 ? 544 LYS A NZ 1 ATOM 1525 N N . ASN A 1 204 ? -19.059 1.588 6.058 1.00 38.76 ? 545 ASN A N 1 ATOM 1526 C CA . ASN A 1 204 ? -19.008 1.623 4.602 1.00 39.53 ? 545 ASN A CA 1 ATOM 1527 C C . ASN A 1 204 ? -17.700 1.122 4.077 1.00 39.52 ? 545 ASN A C 1 ATOM 1528 O O . ASN A 1 204 ? -17.631 0.322 3.146 1.00 39.96 ? 545 ASN A O 1 ATOM 1529 C CB . ASN A 1 204 ? -19.202 3.053 4.081 1.00 40.85 ? 545 ASN A CB 1 ATOM 1530 C CG . ASN A 1 204 ? -18.679 3.238 2.643 1.00 42.19 ? 545 ASN A CG 1 ATOM 1531 O OD1 . ASN A 1 204 ? -19.148 2.566 1.741 1.00 43.25 ? 545 ASN A OD1 1 ATOM 1532 N ND2 . ASN A 1 204 ? -17.725 4.168 2.471 1.00 42.51 ? 545 ASN A ND2 1 ATOM 1533 N N . ASP A 1 205 ? -16.648 1.602 4.707 1.00 39.56 ? 546 ASP A N 1 ATOM 1534 C CA . ASP A 1 205 ? -15.309 1.280 4.291 1.00 40.48 ? 546 ASP A CA 1 ATOM 1535 C C . ASP A 1 205 ? -14.983 -0.212 4.290 1.00 40.39 ? 546 ASP A C 1 ATOM 1536 O O . ASP A 1 205 ? -14.313 -0.710 3.381 1.00 41.08 ? 546 ASP A O 1 ATOM 1537 C CB . ASP A 1 205 ? -14.321 2.096 5.139 1.00 42.58 ? 546 ASP A CB 1 ATOM 1538 C CG . ASP A 1 205 ? -14.704 3.606 5.221 1.00 46.63 ? 546 ASP A CG 1 ATOM 1539 O OD1 . ASP A 1 205 ? -15.630 3.985 5.985 1.00 46.30 ? 546 ASP A OD1 1 ATOM 1540 O OD2 . ASP A 1 205 ? -14.073 4.421 4.507 1.00 48.51 ? 546 ASP A OD2 1 ATOM 1541 N N . THR A 1 206 ? -15.512 -0.911 5.287 1.00 39.00 ? 547 THR A N 1 ATOM 1542 C CA . THR A 1 206 ? -15.301 -2.337 5.477 1.00 39.36 ? 547 THR A CA 1 ATOM 1543 C C . THR A 1 206 ? -15.639 -3.170 4.258 1.00 39.35 ? 547 THR A C 1 ATOM 1544 O O . THR A 1 206 ? -14.863 -4.034 3.843 1.00 39.32 ? 547 THR A O 1 ATOM 1545 C CB . THR A 1 206 ? -16.127 -2.857 6.703 1.00 39.33 ? 547 THR A CB 1 ATOM 1546 O OG1 . THR A 1 206 ? -15.815 -2.059 7.851 1.00 37.97 ? 547 THR A OG1 1 ATOM 1547 C CG2 . THR A 1 206 ? -15.785 -4.315 7.017 1.00 38.50 ? 547 THR A CG2 1 ATOM 1548 N N . VAL A 1 207 ? -16.802 -2.893 3.692 1.00 39.20 ? 548 VAL A N 1 ATOM 1549 C CA . VAL A 1 207 ? -17.266 -3.605 2.528 1.00 40.14 ? 548 VAL A CA 1 ATOM 1550 C C . VAL A 1 207 ? -16.295 -3.392 1.355 1.00 40.24 ? 548 VAL A C 1 ATOM 1551 O O . VAL A 1 207 ? -15.878 -4.351 0.705 1.00 39.88 ? 548 VAL A O 1 ATOM 1552 C CB . VAL A 1 207 ? -18.707 -3.150 2.193 1.00 39.81 ? 548 VAL A CB 1 ATOM 1553 C CG1 . VAL A 1 207 ? -19.250 -3.917 1.019 1.00 40.14 ? 548 VAL A CG1 1 ATOM 1554 C CG2 . VAL A 1 207 ? -19.612 -3.390 3.411 1.00 40.03 ? 548 VAL A CG2 1 ATOM 1555 N N . TRP A 1 208 ? -15.912 -2.143 1.110 1.00 41.68 ? 549 TRP A N 1 ATOM 1556 C CA . TRP A 1 208 ? -14.980 -1.836 0.023 1.00 43.14 ? 549 TRP A CA 1 ATOM 1557 C C . TRP A 1 208 ? -13.590 -2.451 0.194 1.00 43.59 ? 549 TRP A C 1 ATOM 1558 O O . TRP A 1 208 ? -13.060 -3.077 -0.720 1.00 43.32 ? 549 TRP A O 1 ATOM 1559 C CB . TRP A 1 208 ? -14.840 -0.330 -0.139 1.00 43.51 ? 549 TRP A CB 1 ATOM 1560 C CG . TRP A 1 208 ? -16.061 0.294 -0.708 1.00 45.22 ? 549 TRP A CG 1 ATOM 1561 C CD1 . TRP A 1 208 ? -17.235 0.538 -0.063 1.00 46.34 ? 549 TRP A CD1 1 ATOM 1562 C CD2 . TRP A 1 208 ? -16.246 0.738 -2.057 1.00 46.99 ? 549 TRP A CD2 1 ATOM 1563 N NE1 . TRP A 1 208 ? -18.155 1.074 -0.932 1.00 47.20 ? 549 TRP A NE1 1 ATOM 1564 C CE2 . TRP A 1 208 ? -17.589 1.163 -2.176 1.00 47.49 ? 549 TRP A CE2 1 ATOM 1565 C CE3 . TRP A 1 208 ? -15.446 0.702 -3.210 1.00 47.63 ? 549 TRP A CE3 1 ATOM 1566 C CZ2 . TRP A 1 208 ? -18.102 1.696 -3.365 1.00 48.04 ? 549 TRP A CZ2 1 ATOM 1567 C CZ3 . TRP A 1 208 ? -15.961 1.220 -4.396 1.00 46.61 ? 549 TRP A CZ3 1 ATOM 1568 C CH2 . TRP A 1 208 ? -17.293 1.659 -4.476 1.00 47.67 ? 549 TRP A CH2 1 ATOM 1569 N N . GLU A 1 209 ? -13.008 -2.274 1.375 1.00 45.18 ? 550 GLU A N 1 ATOM 1570 C CA . GLU A 1 209 ? -11.675 -2.791 1.686 1.00 45.81 ? 550 GLU A CA 1 ATOM 1571 C C . GLU A 1 209 ? -11.529 -4.300 1.645 1.00 45.58 ? 550 GLU A C 1 ATOM 1572 O O . GLU A 1 209 ? -10.414 -4.808 1.678 1.00 45.78 ? 550 GLU A O 1 ATOM 1573 C CB . GLU A 1 209 ? -11.227 -2.286 3.063 1.00 47.53 ? 550 GLU A CB 1 ATOM 1574 C CG . GLU A 1 209 ? -10.475 -0.955 3.057 1.00 49.71 ? 550 GLU A CG 1 ATOM 1575 C CD . GLU A 1 209 ? -10.667 -0.122 4.332 1.00 52.04 ? 550 GLU A CD 1 ATOM 1576 O OE1 . GLU A 1 209 ? -10.533 -0.656 5.457 1.00 49.97 ? 550 GLU A OE1 1 ATOM 1577 O OE2 . GLU A 1 209 ? -10.942 1.093 4.193 1.00 54.26 ? 550 GLU A OE2 1 ATOM 1578 N N . ASN A 1 210 ? -12.640 -5.018 1.561 1.00 45.35 ? 551 ASN A N 1 ATOM 1579 C CA . ASN A 1 210 ? -12.570 -6.468 1.550 1.00 45.73 ? 551 ASN A CA 1 ATOM 1580 C C . ASN A 1 210 ? -13.251 -7.146 0.376 1.00 45.97 ? 551 ASN A C 1 ATOM 1581 O O . ASN A 1 210 ? -13.551 -8.337 0.427 1.00 46.30 ? 551 ASN A O 1 ATOM 1582 C CB . ASN A 1 210 ? -13.135 -7.008 2.859 1.00 44.78 ? 551 ASN A CB 1 ATOM 1583 C CG . ASN A 1 210 ? -12.304 -6.590 4.056 1.00 43.55 ? 551 ASN A CG 1 ATOM 1584 O OD1 . ASN A 1 210 ? -11.185 -7.066 4.247 1.00 43.93 ? 551 ASN A OD1 1 ATOM 1585 N ND2 . ASN A 1 210 ? -12.838 -5.680 4.855 1.00 42.58 ? 551 ASN A ND2 1 ATOM 1586 N N . THR A 1 211 ? -13.485 -6.392 -0.686 1.00 46.23 ? 552 THR A N 1 ATOM 1587 C CA . THR A 1 211 ? -14.118 -6.943 -1.866 1.00 45.85 ? 552 THR A CA 1 ATOM 1588 C C . THR A 1 211 ? -13.309 -6.534 -3.102 1.00 46.70 ? 552 THR A C 1 ATOM 1589 O O . THR A 1 211 ? -12.395 -5.716 -3.005 1.00 46.54 ? 552 THR A O 1 ATOM 1590 C CB . THR A 1 211 ? -15.552 -6.422 -1.982 1.00 44.27 ? 552 THR A CB 1 ATOM 1591 O OG1 . THR A 1 211 ? -15.544 -4.989 -1.888 1.00 43.51 ? 552 THR A OG1 1 ATOM 1592 C CG2 . THR A 1 211 ? -16.424 -6.990 -0.862 1.00 43.38 ? 552 THR A CG2 1 ATOM 1593 N N . ASN A 1 212 ? -13.649 -7.117 -4.251 1.00 48.16 ? 553 ASN A N 1 ATOM 1594 C CA . ASN A 1 212 ? -12.999 -6.824 -5.531 1.00 49.15 ? 553 ASN A CA 1 ATOM 1595 C C . ASN A 1 212 ? -11.468 -6.828 -5.524 1.00 49.74 ? 553 ASN A C 1 ATOM 1596 O O . ASN A 1 212 ? -10.832 -5.972 -6.146 1.00 50.84 ? 553 ASN A O 1 ATOM 1597 C CB . ASN A 1 212 ? -13.525 -5.490 -6.061 1.00 48.78 ? 553 ASN A CB 1 ATOM 1598 C CG . ASN A 1 212 ? -15.030 -5.528 -6.357 1.00 49.63 ? 553 ASN A CG 1 ATOM 1599 O OD1 . ASN A 1 212 ? -15.785 -6.198 -5.656 1.00 48.89 ? 553 ASN A OD1 1 ATOM 1600 N ND2 . ASN A 1 212 ? -15.467 -4.791 -7.385 1.00 49.72 ? 553 ASN A ND2 1 ATOM 1601 N N . GLY A 1 213 ? -10.895 -7.801 -4.824 1.00 50.27 ? 554 GLY A N 1 ATOM 1602 C CA . GLY A 1 213 ? -9.456 -7.935 -4.745 1.00 50.97 ? 554 GLY A CA 1 ATOM 1603 C C . GLY A 1 213 ? -8.728 -7.042 -3.760 1.00 52.20 ? 554 GLY A C 1 ATOM 1604 O O . GLY A 1 213 ? -7.510 -7.132 -3.636 1.00 52.46 ? 554 GLY A O 1 ATOM 1605 N N . GLU A 1 214 ? -9.450 -6.188 -3.045 1.00 53.48 ? 555 GLU A N 1 ATOM 1606 C CA . GLU A 1 214 ? -8.813 -5.277 -2.092 1.00 55.06 ? 555 GLU A CA 1 ATOM 1607 C C . GLU A 1 214 ? -8.149 -5.929 -0.865 1.00 55.28 ? 555 GLU A C 1 ATOM 1608 O O . GLU A 1 214 ? -7.463 -5.235 -0.113 1.00 55.13 ? 555 GLU A O 1 ATOM 1609 C CB . GLU A 1 214 ? -9.818 -4.234 -1.597 1.00 55.88 ? 555 GLU A CB 1 ATOM 1610 C CG . GLU A 1 214 ? -10.323 -3.204 -2.621 1.00 58.43 ? 555 GLU A CG 1 ATOM 1611 C CD . GLU A 1 214 ? -9.245 -2.247 -3.104 1.00 59.88 ? 555 GLU A CD 1 ATOM 1612 O OE1 . GLU A 1 214 ? -8.389 -1.844 -2.292 1.00 61.06 ? 555 GLU A OE1 1 ATOM 1613 O OE2 . GLU A 1 214 ? -9.266 -1.879 -4.296 1.00 60.92 ? 555 GLU A OE2 1 ATOM 1614 N N . SER A 1 215 ? -8.309 -7.244 -0.676 1.00 56.31 ? 556 SER A N 1 ATOM 1615 C CA . SER A 1 215 ? -7.760 -7.932 0.508 1.00 57.55 ? 556 SER A CA 1 ATOM 1616 C C . SER A 1 215 ? -6.702 -9.076 0.423 1.00 58.29 ? 556 SER A C 1 ATOM 1617 O O . SER A 1 215 ? -5.710 -9.041 1.131 1.00 59.58 ? 556 SER A O 1 ATOM 1618 C CB . SER A 1 215 ? -8.943 -8.400 1.352 1.00 56.96 ? 556 SER A CB 1 ATOM 1619 O OG . SER A 1 215 ? -8.573 -9.292 2.390 1.00 55.84 ? 556 SER A OG 1 ATOM 1620 N N . THR A 1 216 ? -6.936 -10.078 -0.420 1.00 58.56 ? 557 THR A N 1 ATOM 1621 C CA . THR A 1 216 ? -6.068 -11.269 -0.623 1.00 58.91 ? 557 THR A CA 1 ATOM 1622 C C . THR A 1 216 ? -6.271 -12.377 0.422 1.00 58.93 ? 557 THR A C 1 ATOM 1623 O O . THR A 1 216 ? -5.933 -13.544 0.191 1.00 58.99 ? 557 THR A O 1 ATOM 1624 C CB . THR A 1 216 ? -4.518 -10.948 -0.710 1.00 58.72 ? 557 THR A CB 1 ATOM 1625 O OG1 . THR A 1 216 ? -3.986 -10.670 0.594 1.00 59.11 ? 557 THR A OG1 1 ATOM 1626 C CG2 . THR A 1 216 ? -4.252 -9.781 -1.648 1.00 58.41 ? 557 THR A CG2 1 ATOM 1627 N N . ALA A 1 217 ? -6.829 -12.014 1.570 1.00 58.32 ? 558 ALA A N 1 ATOM 1628 C CA . ALA A 1 217 ? -7.103 -12.976 2.632 1.00 57.01 ? 558 ALA A CA 1 ATOM 1629 C C . ALA A 1 217 ? -8.001 -14.074 2.052 1.00 56.47 ? 558 ALA A C 1 ATOM 1630 O O . ALA A 1 217 ? -8.962 -13.798 1.330 1.00 56.63 ? 558 ALA A O 1 ATOM 1631 C CB . ALA A 1 217 ? -7.823 -12.280 3.786 1.00 57.13 ? 558 ALA A CB 1 ATOM 1632 N N . ASP A 1 218 ? -7.671 -15.315 2.372 1.00 55.98 ? 559 ASP A N 1 ATOM 1633 C CA . ASP A 1 218 ? -8.418 -16.497 1.960 1.00 56.70 ? 559 ASP A CA 1 ATOM 1634 C C . ASP A 1 218 ? -9.925 -16.305 1.769 1.00 55.92 ? 559 ASP A C 1 ATOM 1635 O O . ASP A 1 218 ? -10.478 -16.582 0.705 1.00 56.08 ? 559 ASP A O 1 ATOM 1636 C CB . ASP A 1 218 ? -8.214 -17.572 3.011 1.00 58.95 ? 559 ASP A CB 1 ATOM 1637 C CG . ASP A 1 218 ? -8.014 -16.980 4.410 1.00 61.55 ? 559 ASP A CG 1 ATOM 1638 O OD1 . ASP A 1 218 ? -6.862 -16.618 4.736 1.00 61.59 ? 559 ASP A OD1 1 ATOM 1639 O OD2 . ASP A 1 218 ? -8.999 -16.860 5.175 1.00 61.72 ? 559 ASP A OD2 1 ATOM 1640 N N . TRP A 1 219 ? -10.598 -15.849 2.818 1.00 54.29 ? 560 TRP A N 1 ATOM 1641 C CA . TRP A 1 219 ? -12.047 -15.674 2.767 1.00 52.25 ? 560 TRP A CA 1 ATOM 1642 C C . TRP A 1 219 ? -12.553 -14.510 1.928 1.00 52.16 ? 560 TRP A C 1 ATOM 1643 O O . TRP A 1 219 ? -13.685 -14.541 1.446 1.00 51.90 ? 560 TRP A O 1 ATOM 1644 C CB . TRP A 1 219 ? -12.611 -15.563 4.182 1.00 50.09 ? 560 TRP A CB 1 ATOM 1645 C CG . TRP A 1 219 ? -12.140 -14.353 4.921 1.00 47.51 ? 560 TRP A CG 1 ATOM 1646 C CD1 . TRP A 1 219 ? -11.010 -14.236 5.680 1.00 47.15 ? 560 TRP A CD1 1 ATOM 1647 C CD2 . TRP A 1 219 ? -12.765 -13.064 4.928 1.00 46.68 ? 560 TRP A CD2 1 ATOM 1648 N NE1 . TRP A 1 219 ? -10.894 -12.950 6.158 1.00 47.48 ? 560 TRP A NE1 1 ATOM 1649 C CE2 . TRP A 1 219 ? -11.956 -12.211 5.706 1.00 46.82 ? 560 TRP A CE2 1 ATOM 1650 C CE3 . TRP A 1 219 ? -13.928 -12.547 4.345 1.00 45.74 ? 560 TRP A CE3 1 ATOM 1651 C CZ2 . TRP A 1 219 ? -12.280 -10.868 5.921 1.00 46.40 ? 560 TRP A CZ2 1 ATOM 1652 C CZ3 . TRP A 1 219 ? -14.247 -11.215 4.561 1.00 44.92 ? 560 TRP A CZ3 1 ATOM 1653 C CH2 . TRP A 1 219 ? -13.424 -10.391 5.338 1.00 45.50 ? 560 TRP A CH2 1 ATOM 1654 N N . ALA A 1 220 ? -11.710 -13.504 1.730 1.00 52.35 ? 561 ALA A N 1 ATOM 1655 C CA . ALA A 1 220 ? -12.100 -12.319 0.971 1.00 52.45 ? 561 ALA A CA 1 ATOM 1656 C C . ALA A 1 220 ? -11.780 -12.316 -0.526 1.00 52.75 ? 561 ALA A C 1 ATOM 1657 O O . ALA A 1 220 ? -12.506 -11.717 -1.314 1.00 52.89 ? 561 ALA A O 1 ATOM 1658 C CB . ALA A 1 220 ? -11.505 -11.073 1.638 1.00 52.51 ? 561 ALA A CB 1 ATOM 1659 N N . LYS A 1 221 ? -10.682 -12.972 -0.894 1.00 53.42 ? 562 LYS A N 1 ATOM 1660 C CA . LYS A 1 221 ? -10.214 -13.084 -2.284 1.00 53.71 ? 562 LYS A CA 1 ATOM 1661 C C . LYS A 1 221 ? -11.298 -12.974 -3.329 1.00 53.84 ? 562 LYS A C 1 ATOM 1662 O O . LYS A 1 221 ? -11.284 -12.110 -4.209 1.00 53.93 ? 562 LYS A O 1 ATOM 1663 C CB . LYS A 1 221 ? -9.551 -14.443 -2.534 1.00 53.95 ? 562 LYS A CB 1 ATOM 1664 C CG . LYS A 1 221 ? -8.129 -14.645 -2.061 1.00 56.20 ? 562 LYS A CG 1 ATOM 1665 C CD . LYS A 1 221 ? -7.812 -16.140 -2.037 1.00 58.41 ? 562 LYS A CD 1 ATOM 1666 C CE . LYS A 1 221 ? -6.463 -16.456 -1.401 1.00 60.63 ? 562 LYS A CE 1 ATOM 1667 N NZ . LYS A 1 221 ? -6.247 -17.932 -1.266 1.00 61.69 ? 562 LYS A NZ 1 ATOM 1668 N N . ASN A 1 222 ? -12.243 -13.889 -3.212 1.00 54.08 ? 563 ASN A N 1 ATOM 1669 C CA . ASN A 1 222 ? -13.329 -14.019 -4.154 1.00 54.26 ? 563 ASN A CA 1 ATOM 1670 C C . ASN A 1 222 ? -14.604 -13.223 -3.909 1.00 53.73 ? 563 ASN A C 1 ATOM 1671 O O . ASN A 1 222 ? -15.643 -13.550 -4.487 1.00 53.51 ? 563 ASN A O 1 ATOM 1672 C CB . ASN A 1 222 ? -13.634 -15.511 -4.260 1.00 55.15 ? 563 ASN A CB 1 ATOM 1673 C CG . ASN A 1 222 ? -14.244 -15.898 -5.576 1.00 56.68 ? 563 ASN A CG 1 ATOM 1674 O OD1 . ASN A 1 222 ? -13.761 -15.503 -6.635 1.00 57.59 ? 563 ASN A OD1 1 ATOM 1675 N ND2 . ASN A 1 222 ? -15.304 -16.704 -5.521 1.00 57.51 ? 563 ASN A ND2 1 ATOM 1676 N N . LEU A 1 223 ? -14.534 -12.182 -3.086 1.00 52.81 ? 564 LEU A N 1 ATOM 1677 C CA . LEU A 1 223 ? -15.730 -11.397 -2.822 1.00 52.84 ? 564 LEU A CA 1 ATOM 1678 C C . LEU A 1 223 ? -15.917 -10.252 -3.814 1.00 52.83 ? 564 LEU A C 1 ATOM 1679 O O . LEU A 1 223 ? -14.972 -9.538 -4.165 1.00 52.39 ? 564 LEU A O 1 ATOM 1680 C CB . LEU A 1 223 ? -15.735 -10.851 -1.386 1.00 52.69 ? 564 LEU A CB 1 ATOM 1681 C CG . LEU A 1 223 ? -15.683 -11.808 -0.183 1.00 52.81 ? 564 LEU A CG 1 ATOM 1682 C CD1 . LEU A 1 223 ? -16.017 -11.017 1.083 1.00 52.25 ? 564 LEU A CD1 1 ATOM 1683 C CD2 . LEU A 1 223 ? -16.675 -12.952 -0.355 1.00 52.38 ? 564 LEU A CD2 1 ATOM 1684 N N . LYS A 1 224 ? -17.159 -10.091 -4.255 1.00 52.73 ? 565 LYS A N 1 ATOM 1685 C CA . LYS A 1 224 ? -17.526 -9.067 -5.223 1.00 52.91 ? 565 LYS A CA 1 ATOM 1686 C C . LYS A 1 224 ? -18.582 -8.128 -4.624 1.00 52.20 ? 565 LYS A C 1 ATOM 1687 O O . LYS A 1 224 ? -19.612 -8.587 -4.128 1.00 53.05 ? 565 LYS A O 1 ATOM 1688 C CB . LYS A 1 224 ? -18.068 -9.761 -6.480 1.00 53.14 ? 565 LYS A CB 1 ATOM 1689 C CG . LYS A 1 224 ? -17.944 -8.978 -7.790 1.00 54.95 ? 565 LYS A CG 1 ATOM 1690 C CD . LYS A 1 224 ? -18.871 -7.770 -7.845 1.00 55.50 ? 565 LYS A CD 1 ATOM 1691 C CE . LYS A 1 224 ? -18.095 -6.484 -8.131 1.00 56.42 ? 565 LYS A CE 1 ATOM 1692 N NZ . LYS A 1 224 ? -18.923 -5.255 -7.947 1.00 57.73 ? 565 LYS A NZ 1 ATOM 1693 N N . ARG A 1 225 ? -18.323 -6.823 -4.673 1.00 51.33 ? 566 ARG A N 1 ATOM 1694 C CA . ARG A 1 225 ? -19.240 -5.827 -4.131 1.00 51.17 ? 566 ARG A CA 1 ATOM 1695 C C . ARG A 1 225 ? -20.694 -6.060 -4.511 1.00 50.99 ? 566 ARG A C 1 ATOM 1696 O O . ARG A 1 225 ? -21.591 -5.867 -3.686 1.00 51.46 ? 566 ARG A O 1 ATOM 1697 C CB . ARG A 1 225 ? -18.829 -4.419 -4.576 1.00 52.04 ? 566 ARG A CB 1 ATOM 1698 C CG . ARG A 1 225 ? -17.467 -4.033 -4.083 1.00 52.57 ? 566 ARG A CG 1 ATOM 1699 C CD . ARG A 1 225 ? -17.197 -2.555 -4.160 1.00 52.84 ? 566 ARG A CD 1 ATOM 1700 N NE . ARG A 1 225 ? -15.833 -2.316 -3.709 1.00 54.12 ? 566 ARG A NE 1 ATOM 1701 C CZ . ARG A 1 225 ? -14.786 -2.203 -4.519 1.00 54.71 ? 566 ARG A CZ 1 ATOM 1702 N NH1 . ARG A 1 225 ? -14.939 -2.282 -5.835 1.00 54.33 ? 566 ARG A NH1 1 ATOM 1703 N NH2 . ARG A 1 225 ? -13.574 -2.048 -4.006 1.00 55.48 ? 566 ARG A NH2 1 ATOM 1704 N N . GLU A 1 226 ? -20.938 -6.459 -5.755 1.00 50.87 ? 567 GLU A N 1 ATOM 1705 C CA . GLU A 1 226 ? -22.306 -6.686 -6.197 1.00 50.99 ? 567 GLU A CA 1 ATOM 1706 C C . GLU A 1 226 ? -23.032 -7.833 -5.478 1.00 49.93 ? 567 GLU A C 1 ATOM 1707 O O . GLU A 1 226 ? -24.247 -7.951 -5.574 1.00 50.11 ? 567 GLU A O 1 ATOM 1708 C CB . GLU A 1 226 ? -22.354 -6.869 -7.722 1.00 52.79 ? 567 GLU A CB 1 ATOM 1709 C CG . GLU A 1 226 ? -22.882 -5.617 -8.449 1.00 55.08 ? 567 GLU A CG 1 ATOM 1710 C CD . GLU A 1 226 ? -24.309 -5.251 -8.031 1.00 55.84 ? 567 GLU A CD 1 ATOM 1711 O OE1 . GLU A 1 226 ? -25.229 -6.053 -8.297 1.00 57.04 ? 567 GLU A OE1 1 ATOM 1712 O OE2 . GLU A 1 226 ? -24.513 -4.169 -7.437 1.00 55.12 ? 567 GLU A OE2 1 ATOM 1713 N N . ASP A 1 227 ? -22.311 -8.667 -4.736 1.00 48.18 ? 568 ASP A N 1 ATOM 1714 C CA . ASP A 1 227 ? -22.959 -9.764 -4.016 1.00 46.62 ? 568 ASP A CA 1 ATOM 1715 C C . ASP A 1 227 ? -23.483 -9.274 -2.662 1.00 45.15 ? 568 ASP A C 1 ATOM 1716 O O . ASP A 1 227 ? -24.082 -10.023 -1.888 1.00 43.81 ? 568 ASP A O 1 ATOM 1717 C CB . ASP A 1 227 ? -21.974 -10.905 -3.823 1.00 47.77 ? 568 ASP A CB 1 ATOM 1718 C CG . ASP A 1 227 ? -21.417 -11.403 -5.130 1.00 49.16 ? 568 ASP A CG 1 ATOM 1719 O OD1 . ASP A 1 227 ? -22.217 -11.566 -6.070 1.00 48.97 ? 568 ASP A OD1 1 ATOM 1720 O OD2 . ASP A 1 227 ? -20.194 -11.633 -5.226 1.00 50.32 ? 568 ASP A OD2 1 ATOM 1721 N N . PHE A 1 228 ? -23.285 -7.988 -2.403 1.00 43.68 ? 569 PHE A N 1 ATOM 1722 C CA . PHE A 1 228 ? -23.689 -7.378 -1.151 1.00 42.37 ? 569 PHE A CA 1 ATOM 1723 C C . PHE A 1 228 ? -24.618 -6.197 -1.335 1.00 42.25 ? 569 PHE A C 1 ATOM 1724 O O . PHE A 1 228 ? -24.596 -5.517 -2.360 1.00 43.01 ? 569 PHE A O 1 ATOM 1725 C CB . PHE A 1 228 ? -22.449 -6.915 -0.408 1.00 41.35 ? 569 PHE A CB 1 ATOM 1726 C CG . PHE A 1 228 ? -21.490 -8.025 -0.071 1.00 39.99 ? 569 PHE A CG 1 ATOM 1727 C CD1 . PHE A 1 228 ? -21.719 -8.845 1.029 1.00 39.96 ? 569 PHE A CD1 1 ATOM 1728 C CD2 . PHE A 1 228 ? -20.402 -8.297 -0.896 1.00 39.47 ? 569 PHE A CD2 1 ATOM 1729 C CE1 . PHE A 1 228 ? -20.874 -9.912 1.312 1.00 40.39 ? 569 PHE A CE1 1 ATOM 1730 C CE2 . PHE A 1 228 ? -19.552 -9.368 -0.628 1.00 39.55 ? 569 PHE A CE2 1 ATOM 1731 C CZ . PHE A 1 228 ? -19.792 -10.180 0.476 1.00 40.97 ? 569 PHE A CZ 1 ATOM 1732 N N . ARG A 1 229 ? -25.443 -5.956 -0.332 1.00 41.33 ? 570 ARG A N 1 ATOM 1733 C CA . ARG A 1 229 ? -26.333 -4.827 -0.394 1.00 40.96 ? 570 ARG A CA 1 ATOM 1734 C C . ARG A 1 229 ? -26.349 -4.166 0.965 1.00 40.21 ? 570 ARG A C 1 ATOM 1735 O O . ARG A 1 229 ? -25.940 -4.755 1.970 1.00 40.55 ? 570 ARG A O 1 ATOM 1736 C CB . ARG A 1 229 ? -27.734 -5.263 -0.794 1.00 40.77 ? 570 ARG A CB 1 ATOM 1737 C CG . ARG A 1 229 ? -27.858 -5.719 -2.245 1.00 42.77 ? 570 ARG A CG 1 ATOM 1738 C CD . ARG A 1 229 ? -28.034 -4.542 -3.207 1.00 43.71 ? 570 ARG A CD 1 ATOM 1739 N NE . ARG A 1 229 ? -28.268 -4.980 -4.583 1.00 45.87 ? 570 ARG A NE 1 ATOM 1740 C CZ . ARG A 1 229 ? -27.332 -5.084 -5.523 1.00 48.04 ? 570 ARG A CZ 1 ATOM 1741 N NH1 . ARG A 1 229 ? -26.071 -4.779 -5.252 1.00 49.37 ? 570 ARG A NH1 1 ATOM 1742 N NH2 . ARG A 1 229 ? -27.662 -5.501 -6.739 1.00 49.59 ? 570 ARG A NH2 1 ATOM 1743 N N . LEU A 1 230 ? -26.765 -2.908 0.987 1.00 39.33 ? 571 LEU A N 1 ATOM 1744 C CA . LEU A 1 230 ? -26.863 -2.174 2.242 1.00 38.62 ? 571 LEU A CA 1 ATOM 1745 C C . LEU A 1 230 ? -28.349 -2.119 2.557 1.00 39.29 ? 571 LEU A C 1 ATOM 1746 O O . LEU A 1 230 ? -29.196 -2.000 1.651 1.00 40.03 ? 571 LEU A O 1 ATOM 1747 C CB . LEU A 1 230 ? -26.328 -0.748 2.106 1.00 37.22 ? 571 LEU A CB 1 ATOM 1748 C CG . LEU A 1 230 ? -24.915 -0.673 1.538 1.00 36.33 ? 571 LEU A CG 1 ATOM 1749 C CD1 . LEU A 1 230 ? -24.532 0.787 1.383 1.00 35.28 ? 571 LEU A CD1 1 ATOM 1750 C CD2 . LEU A 1 230 ? -23.932 -1.391 2.448 1.00 33.73 ? 571 LEU A CD2 1 ATOM 1751 N N . LEU A 1 231 ? -28.685 -2.244 3.835 1.00 39.82 ? 572 LEU A N 1 ATOM 1752 C CA . LEU A 1 231 ? -30.084 -2.164 4.254 1.00 39.52 ? 572 LEU A CA 1 ATOM 1753 C C . LEU A 1 231 ? -30.300 -0.739 4.761 1.00 39.68 ? 572 LEU A C 1 ATOM 1754 O O . LEU A 1 231 ? -29.698 -0.319 5.768 1.00 39.44 ? 572 LEU A O 1 ATOM 1755 C CB . LEU A 1 231 ? -30.406 -3.141 5.394 1.00 38.96 ? 572 LEU A CB 1 ATOM 1756 C CG . LEU A 1 231 ? -30.078 -4.637 5.286 1.00 39.41 ? 572 LEU A CG 1 ATOM 1757 C CD1 . LEU A 1 231 ? -30.580 -5.364 6.528 1.00 39.17 ? 572 LEU A CD1 1 ATOM 1758 C CD2 . LEU A 1 231 ? -30.738 -5.233 4.049 1.00 39.92 ? 572 LEU A CD2 1 ATOM 1759 N N . CYS A 1 232 ? -31.136 0.024 4.056 1.00 40.15 ? 573 CYS A N 1 ATOM 1760 C CA . CYS A 1 232 ? -31.450 1.405 4.455 1.00 40.45 ? 573 CYS A CA 1 ATOM 1761 C C . CYS A 1 232 ? -32.581 1.372 5.478 1.00 40.60 ? 573 CYS A C 1 ATOM 1762 O O . CYS A 1 232 ? -33.411 0.449 5.490 1.00 41.02 ? 573 CYS A O 1 ATOM 1763 C CB . CYS A 1 232 ? -31.930 2.233 3.268 1.00 39.61 ? 573 CYS A CB 1 ATOM 1764 S SG . CYS A 1 232 ? -31.069 1.762 1.740 1.00 42.90 ? 573 CYS A SG 1 ATOM 1765 N N . LEU A 1 233 ? -32.645 2.400 6.313 1.00 42.13 ? 574 LEU A N 1 ATOM 1766 C CA . LEU A 1 233 ? -33.691 2.501 7.327 1.00 43.80 ? 574 LEU A CA 1 ATOM 1767 C C . LEU A 1 233 ? -35.109 2.566 6.717 1.00 44.65 ? 574 LEU A C 1 ATOM 1768 O O . LEU A 1 233 ? -36.070 2.216 7.391 1.00 46.10 ? 574 LEU A O 1 ATOM 1769 C CB . LEU A 1 233 ? -33.452 3.736 8.215 1.00 44.47 ? 574 LEU A CB 1 ATOM 1770 C CG . LEU A 1 233 ? -32.272 3.683 9.194 1.00 44.58 ? 574 LEU A CG 1 ATOM 1771 C CD1 . LEU A 1 233 ? -32.037 5.055 9.803 1.00 44.51 ? 574 LEU A CD1 1 ATOM 1772 C CD2 . LEU A 1 233 ? -32.567 2.666 10.291 1.00 45.56 ? 574 LEU A CD2 1 ATOM 1773 N N . ASP A 1 234 ? -35.260 3.015 5.466 1.00 45.35 ? 575 ASP A N 1 ATOM 1774 C CA . ASP A 1 234 ? -36.597 3.096 4.844 1.00 46.44 ? 575 ASP A CA 1 ATOM 1775 C C . ASP A 1 234 ? -37.149 1.746 4.350 1.00 47.23 ? 575 ASP A C 1 ATOM 1776 O O . ASP A 1 234 ? -38.180 1.709 3.671 1.00 47.58 ? 575 ASP A O 1 ATOM 1777 C CB . ASP A 1 234 ? -36.609 4.103 3.676 1.00 46.74 ? 575 ASP A CB 1 ATOM 1778 C CG . ASP A 1 234 ? -35.605 3.757 2.577 1.00 48.21 ? 575 ASP A CG 1 ATOM 1779 O OD1 . ASP A 1 234 ? -35.013 2.660 2.622 1.00 47.98 ? 575 ASP A OD1 1 ATOM 1780 O OD2 . ASP A 1 234 ? -35.422 4.590 1.658 1.00 47.44 ? 575 ASP A OD2 1 ATOM 1781 N N . GLY A 1 235 ? -36.466 0.651 4.701 1.00 47.61 ? 576 GLY A N 1 ATOM 1782 C CA . GLY A 1 235 ? -36.878 -0.691 4.302 1.00 46.38 ? 576 GLY A CA 1 ATOM 1783 C C . GLY A 1 235 ? -36.348 -1.091 2.933 1.00 46.13 ? 576 GLY A C 1 ATOM 1784 O O . GLY A 1 235 ? -36.621 -2.184 2.432 1.00 47.66 ? 576 GLY A O 1 ATOM 1785 N N . THR A 1 236 ? -35.536 -0.218 2.354 1.00 45.24 ? 577 THR A N 1 ATOM 1786 C CA . THR A 1 236 ? -34.955 -0.408 1.033 1.00 44.64 ? 577 THR A CA 1 ATOM 1787 C C . THR A 1 236 ? -33.581 -1.109 1.016 1.00 44.55 ? 577 THR A C 1 ATOM 1788 O O . THR A 1 236 ? -32.962 -1.293 2.058 1.00 44.11 ? 577 THR A O 1 ATOM 1789 C CB . THR A 1 236 ? -34.966 1.005 0.308 1.00 45.53 ? 577 THR A CB 1 ATOM 1790 O OG1 . THR A 1 236 ? -36.197 1.151 -0.427 1.00 43.88 ? 577 THR A OG1 1 ATOM 1791 C CG2 . THR A 1 236 ? -33.780 1.215 -0.604 1.00 44.92 ? 577 THR A CG2 1 ATOM 1792 N N . ARG A 1 237 ? -33.144 -1.522 -0.173 1.00 44.00 ? 578 ARG A N 1 ATOM 1793 C CA . ARG A 1 237 ? -31.874 -2.218 -0.379 1.00 43.39 ? 578 ARG A CA 1 ATOM 1794 C C . ARG A 1 237 ? -31.085 -1.513 -1.463 1.00 43.45 ? 578 ARG A C 1 ATOM 1795 O O . ARG A 1 237 ? -31.583 -1.335 -2.564 1.00 44.40 ? 578 ARG A O 1 ATOM 1796 C CB . ARG A 1 237 ? -32.128 -3.649 -0.847 1.00 42.55 ? 578 ARG A CB 1 ATOM 1797 C CG . ARG A 1 237 ? -32.436 -4.648 0.242 1.00 41.23 ? 578 ARG A CG 1 ATOM 1798 C CD . ARG A 1 237 ? -33.031 -5.918 -0.359 1.00 41.52 ? 578 ARG A CD 1 ATOM 1799 N NE . ARG A 1 237 ? -32.083 -6.701 -1.153 1.00 41.13 ? 578 ARG A NE 1 ATOM 1800 C CZ . ARG A 1 237 ? -31.484 -7.816 -0.738 1.00 41.00 ? 578 ARG A CZ 1 ATOM 1801 N NH1 . ARG A 1 237 ? -31.716 -8.297 0.478 1.00 40.93 ? 578 ARG A NH1 1 ATOM 1802 N NH2 . ARG A 1 237 ? -30.661 -8.461 -1.550 1.00 40.89 ? 578 ARG A NH2 1 ATOM 1803 N N . LYS A 1 238 ? -29.847 -1.143 -1.181 1.00 43.52 ? 579 LYS A N 1 ATOM 1804 C CA . LYS A 1 238 ? -29.066 -0.454 -2.188 1.00 44.23 ? 579 LYS A CA 1 ATOM 1805 C C . LYS A 1 238 ? -27.682 -1.050 -2.345 1.00 44.43 ? 579 LYS A C 1 ATOM 1806 O O . LYS A 1 238 ? -27.178 -1.716 -1.437 1.00 44.95 ? 579 LYS A O 1 ATOM 1807 C CB . LYS A 1 238 ? -28.949 1.026 -1.841 1.00 44.87 ? 579 LYS A CB 1 ATOM 1808 C CG . LYS A 1 238 ? -30.286 1.772 -1.758 1.00 45.87 ? 579 LYS A CG 1 ATOM 1809 C CD . LYS A 1 238 ? -30.151 3.277 -2.031 1.00 48.34 ? 579 LYS A CD 1 ATOM 1810 C CE . LYS A 1 238 ? -31.523 3.957 -2.023 1.00 49.61 ? 579 LYS A CE 1 ATOM 1811 N NZ . LYS A 1 238 ? -31.498 5.398 -2.448 1.00 51.12 ? 579 LYS A NZ 1 ATOM 1812 N N . PRO A 1 239 ? -27.055 -0.830 -3.507 1.00 44.48 ? 580 PRO A N 1 ATOM 1813 C CA . PRO A 1 239 ? -25.712 -1.369 -3.714 1.00 44.49 ? 580 PRO A CA 1 ATOM 1814 C C . PRO A 1 239 ? -24.808 -0.659 -2.732 1.00 44.64 ? 580 PRO A C 1 ATOM 1815 O O . PRO A 1 239 ? -25.169 0.398 -2.186 1.00 44.03 ? 580 PRO A O 1 ATOM 1816 C CB . PRO A 1 239 ? -25.372 -0.982 -5.164 1.00 43.97 ? 580 PRO A CB 1 ATOM 1817 C CG . PRO A 1 239 ? -26.681 -0.683 -5.789 1.00 44.66 ? 580 PRO A CG 1 ATOM 1818 C CD . PRO A 1 239 ? -27.548 -0.111 -4.694 1.00 44.88 ? 580 PRO A CD 1 ATOM 1819 N N . VAL A 1 240 ? -23.622 -1.227 -2.541 1.00 45.34 ? 581 VAL A N 1 ATOM 1820 C CA . VAL A 1 240 ? -22.656 -0.673 -1.616 1.00 45.99 ? 581 VAL A CA 1 ATOM 1821 C C . VAL A 1 240 ? -21.967 0.570 -2.140 1.00 46.84 ? 581 VAL A C 1 ATOM 1822 O O . VAL A 1 240 ? -20.987 1.040 -1.545 1.00 48.78 ? 581 VAL A O 1 ATOM 1823 C CB . VAL A 1 240 ? -21.623 -1.763 -1.173 1.00 45.64 ? 581 VAL A CB 1 ATOM 1824 C CG1 . VAL A 1 240 ? -22.372 -3.076 -0.880 1.00 45.11 ? 581 VAL A CG1 1 ATOM 1825 C CG2 . VAL A 1 240 ? -20.552 -1.956 -2.209 1.00 44.95 ? 581 VAL A CG2 1 ATOM 1826 N N . THR A 1 241 ? -22.485 1.096 -3.252 1.00 46.58 ? 582 THR A N 1 ATOM 1827 C CA . THR A 1 241 ? -21.974 2.337 -3.834 1.00 46.45 ? 582 THR A CA 1 ATOM 1828 C C . THR A 1 241 ? -22.885 3.473 -3.303 1.00 45.94 ? 582 THR A C 1 ATOM 1829 O O . THR A 1 241 ? -22.536 4.650 -3.376 1.00 46.87 ? 582 THR A O 1 ATOM 1830 C CB . THR A 1 241 ? -22.021 2.353 -5.404 1.00 46.17 ? 582 THR A CB 1 ATOM 1831 O OG1 . THR A 1 241 ? -23.206 1.694 -5.875 1.00 47.37 ? 582 THR A OG1 1 ATOM 1832 C CG2 . THR A 1 241 ? -20.792 1.697 -5.997 1.00 46.56 ? 582 THR A CG2 1 ATOM 1833 N N . GLU A 1 242 ? -24.041 3.106 -2.742 1.00 45.22 ? 583 GLU A N 1 ATOM 1834 C CA . GLU A 1 242 ? -25.043 4.043 -2.202 1.00 45.28 ? 583 GLU A CA 1 ATOM 1835 C C . GLU A 1 242 ? -24.960 4.310 -0.692 1.00 44.39 ? 583 GLU A C 1 ATOM 1836 O O . GLU A 1 242 ? -25.978 4.622 -0.059 1.00 43.84 ? 583 GLU A O 1 ATOM 1837 C CB . GLU A 1 242 ? -26.439 3.498 -2.497 1.00 47.57 ? 583 GLU A CB 1 ATOM 1838 C CG . GLU A 1 242 ? -27.258 4.251 -3.524 1.00 51.17 ? 583 GLU A CG 1 ATOM 1839 C CD . GLU A 1 242 ? -26.458 4.656 -4.741 1.00 52.32 ? 583 GLU A CD 1 ATOM 1840 O OE1 . GLU A 1 242 ? -25.510 3.932 -5.118 1.00 53.45 ? 583 GLU A OE1 1 ATOM 1841 O OE2 . GLU A 1 242 ? -26.797 5.700 -5.331 1.00 53.67 ? 583 GLU A OE2 1 ATOM 1842 N N . ALA A 1 243 ? -23.773 4.203 -0.107 1.00 43.16 ? 584 ALA A N 1 ATOM 1843 C CA . ALA A 1 243 ? -23.650 4.444 1.318 1.00 42.10 ? 584 ALA A CA 1 ATOM 1844 C C . ALA A 1 243 ? -24.039 5.874 1.799 1.00 41.60 ? 584 ALA A C 1 ATOM 1845 O O . ALA A 1 243 ? -24.660 5.970 2.850 1.00 42.14 ? 584 ALA A O 1 ATOM 1846 C CB . ALA A 1 243 ? -22.233 4.053 1.791 1.00 41.29 ? 584 ALA A CB 1 ATOM 1847 N N . GLN A 1 244 ? -23.710 6.930 1.047 0.50 40.47 ? 585 GLN A N 1 ATOM 1848 C CA . GLN A 1 244 ? -24.028 8.311 1.433 0.50 39.84 ? 585 GLN A CA 1 ATOM 1849 C C . GLN A 1 244 ? -25.520 8.463 1.657 0.50 39.31 ? 585 GLN A C 1 ATOM 1850 O O . GLN A 1 244 ? -25.972 9.404 2.325 0.50 38.21 ? 585 GLN A O 1 ATOM 1851 C CB . GLN A 1 244 ? -23.586 9.314 0.363 0.50 41.02 ? 585 GLN A CB 1 ATOM 1852 C CG . GLN A 1 244 ? -22.350 8.966 -0.396 0.50 43.50 ? 585 GLN A CG 1 ATOM 1853 C CD . GLN A 1 244 ? -22.465 7.548 -0.930 0.50 43.98 ? 585 GLN A CD 1 ATOM 1854 O OE1 . GLN A 1 244 ? -23.327 7.248 -1.757 0.50 44.10 ? 585 GLN A OE1 1 ATOM 1855 N NE2 . GLN A 1 244 ? -21.627 6.659 -0.421 0.50 45.40 ? 585 GLN A NE2 1 ATOM 1856 N N . SER A 1 245 ? -26.298 7.556 1.081 1.00 39.95 ? 586 SER A N 1 ATOM 1857 C CA . SER A 1 245 ? -27.741 7.626 1.216 1.00 40.63 ? 586 SER A CA 1 ATOM 1858 C C . SER A 1 245 ? -28.396 6.383 1.831 1.00 40.07 ? 586 SER A C 1 ATOM 1859 O O . SER A 1 245 ? -29.614 6.352 1.998 1.00 39.72 ? 586 SER A O 1 ATOM 1860 C CB . SER A 1 245 ? -28.373 7.918 -0.138 1.00 41.96 ? 586 SER A CB 1 ATOM 1861 O OG . SER A 1 245 ? -28.518 6.738 -0.912 1.00 44.80 ? 586 SER A OG 1 ATOM 1862 N N . CYS A 1 246 ? -27.604 5.365 2.164 1.00 40.08 ? 587 CYS A N 1 ATOM 1863 C CA . CYS A 1 246 ? -28.151 4.157 2.779 1.00 40.44 ? 587 CYS A CA 1 ATOM 1864 C C . CYS A 1 246 ? -27.311 3.669 3.966 1.00 40.20 ? 587 CYS A C 1 ATOM 1865 O O . CYS A 1 246 ? -26.650 2.623 3.907 1.00 40.20 ? 587 CYS A O 1 ATOM 1866 C CB . CYS A 1 246 ? -28.280 3.055 1.738 1.00 40.43 ? 587 CYS A CB 1 ATOM 1867 S SG . CYS A 1 246 ? -29.118 1.529 2.284 1.00 43.23 ? 587 CYS A SG 1 ATOM 1868 N N . HIS A 1 247 ? -27.344 4.448 5.043 1.00 39.12 ? 588 HIS A N 1 ATOM 1869 C CA . HIS A 1 247 ? -26.607 4.129 6.264 1.00 37.25 ? 588 HIS A CA 1 ATOM 1870 C C . HIS A 1 247 ? -27.456 4.223 7.536 1.00 37.56 ? 588 HIS A C 1 ATOM 1871 O O . HIS A 1 247 ? -28.605 4.669 7.503 1.00 37.81 ? 588 HIS A O 1 ATOM 1872 C CB . HIS A 1 247 ? -25.363 5.019 6.403 1.00 35.40 ? 588 HIS A CB 1 ATOM 1873 C CG . HIS A 1 247 ? -25.629 6.491 6.263 1.00 34.93 ? 588 HIS A CG 1 ATOM 1874 N ND1 . HIS A 1 247 ? -25.475 7.166 5.065 1.00 34.87 ? 588 HIS A ND1 1 ATOM 1875 C CD2 . HIS A 1 247 ? -25.990 7.418 7.174 1.00 34.08 ? 588 HIS A CD2 1 ATOM 1876 C CE1 . HIS A 1 247 ? -25.729 8.447 5.256 1.00 34.13 ? 588 HIS A CE1 1 ATOM 1877 N NE2 . HIS A 1 247 ? -26.040 8.633 6.520 1.00 35.04 ? 588 HIS A NE2 1 ATOM 1878 N N . LEU A 1 248 ? -26.893 3.786 8.662 1.00 37.10 ? 589 LEU A N 1 ATOM 1879 C CA . LEU A 1 248 ? -27.620 3.829 9.926 1.00 36.39 ? 589 LEU A CA 1 ATOM 1880 C C . LEU A 1 248 ? -27.303 5.122 10.672 1.00 37.00 ? 589 LEU A C 1 ATOM 1881 O O . LEU A 1 248 ? -28.154 5.662 11.391 1.00 38.67 ? 589 LEU A O 1 ATOM 1882 C CB . LEU A 1 248 ? -27.289 2.592 10.776 1.00 34.72 ? 589 LEU A CB 1 ATOM 1883 C CG . LEU A 1 248 ? -27.629 1.240 10.118 1.00 34.16 ? 589 LEU A CG 1 ATOM 1884 C CD1 . LEU A 1 248 ? -27.635 0.165 11.198 1.00 31.89 ? 589 LEU A CD1 1 ATOM 1885 C CD2 . LEU A 1 248 ? -29.007 1.285 9.440 1.00 32.39 ? 589 LEU A CD2 1 ATOM 1886 N N . ALA A 1 249 ? -26.086 5.626 10.474 1.00 36.99 ? 590 ALA A N 1 ATOM 1887 C CA . ALA A 1 249 ? -25.632 6.861 11.112 1.00 36.82 ? 590 ALA A CA 1 ATOM 1888 C C . ALA A 1 249 ? -24.210 7.132 10.659 1.00 37.23 ? 590 ALA A C 1 ATOM 1889 O O . ALA A 1 249 ? -23.591 6.274 10.008 1.00 36.85 ? 590 ALA A O 1 ATOM 1890 C CB . ALA A 1 249 ? -25.658 6.718 12.636 1.00 35.59 ? 590 ALA A CB 1 ATOM 1891 N N . VAL A 1 250 ? -23.711 8.340 10.936 1.00 37.43 ? 591 VAL A N 1 ATOM 1892 C CA . VAL A 1 250 ? -22.308 8.620 10.654 1.00 38.20 ? 591 VAL A CA 1 ATOM 1893 C C . VAL A 1 250 ? -21.708 8.610 12.077 1.00 38.14 ? 591 VAL A C 1 ATOM 1894 O O . VAL A 1 250 ? -22.264 9.132 13.062 1.00 38.40 ? 591 VAL A O 1 ATOM 1895 C CB . VAL A 1 250 ? -21.976 9.974 9.827 1.00 38.80 ? 591 VAL A CB 1 ATOM 1896 C CG1 . VAL A 1 250 ? -23.166 10.889 9.724 1.00 39.31 ? 591 VAL A CG1 1 ATOM 1897 C CG2 . VAL A 1 250 ? -20.757 10.669 10.444 1.00 39.82 ? 591 VAL A CG2 1 ATOM 1898 N N . ALA A 1 251 ? -20.582 7.919 12.181 1.00 36.77 ? 592 ALA A N 1 ATOM 1899 C CA . ALA A 1 251 ? -19.892 7.725 13.447 1.00 34.67 ? 592 ALA A CA 1 ATOM 1900 C C . ALA A 1 251 ? -18.701 8.623 13.623 1.00 33.22 ? 592 ALA A C 1 ATOM 1901 O O . ALA A 1 251 ? -18.033 8.983 12.658 1.00 34.21 ? 592 ALA A O 1 ATOM 1902 C CB . ALA A 1 251 ? -19.467 6.263 13.581 1.00 34.43 ? 592 ALA A CB 1 ATOM 1903 N N . PRO A 1 252 ? -18.424 9.009 14.867 1.00 31.72 ? 593 PRO A N 1 ATOM 1904 C CA . PRO A 1 252 ? -17.259 9.863 15.076 1.00 30.95 ? 593 PRO A CA 1 ATOM 1905 C C . PRO A 1 252 ? -16.052 8.964 14.858 1.00 30.53 ? 593 PRO A C 1 ATOM 1906 O O . PRO A 1 252 ? -16.051 7.803 15.267 1.00 30.52 ? 593 PRO A O 1 ATOM 1907 C CB . PRO A 1 252 ? -17.408 10.312 16.528 1.00 29.76 ? 593 PRO A CB 1 ATOM 1908 C CG . PRO A 1 252 ? -18.197 9.183 17.156 1.00 30.40 ? 593 PRO A CG 1 ATOM 1909 C CD . PRO A 1 252 ? -19.203 8.813 16.103 1.00 31.33 ? 593 PRO A CD 1 ATOM 1910 N N . ASN A 1 253 ? -15.019 9.469 14.205 1.00 30.10 ? 594 ASN A N 1 ATOM 1911 C CA . ASN A 1 253 ? -13.851 8.637 13.967 1.00 29.97 ? 594 ASN A CA 1 ATOM 1912 C C . ASN A 1 253 ? -13.236 8.059 15.222 1.00 29.64 ? 594 ASN A C 1 ATOM 1913 O O . ASN A 1 253 ? -13.355 8.615 16.322 1.00 29.94 ? 594 ASN A O 1 ATOM 1914 C CB . ASN A 1 253 ? -12.764 9.416 13.255 1.00 30.23 ? 594 ASN A CB 1 ATOM 1915 C CG . ASN A 1 253 ? -13.149 9.815 11.849 1.00 32.50 ? 594 ASN A CG 1 ATOM 1916 O OD1 . ASN A 1 253 ? -14.158 9.364 11.326 1.00 35.13 ? 594 ASN A OD1 1 ATOM 1917 N ND2 . ASN A 1 253 ? -12.332 10.659 11.222 1.00 33.99 ? 594 ASN A ND2 1 ATOM 1918 N N . HIS A 1 254 ? -12.578 6.921 15.057 1.00 28.64 ? 595 HIS A N 1 ATOM 1919 C CA . HIS A 1 254 ? -11.890 6.316 16.172 1.00 28.34 ? 595 HIS A CA 1 ATOM 1920 C C . HIS A 1 254 ? -10.828 7.365 16.504 1.00 28.24 ? 595 HIS A C 1 ATOM 1921 O O . HIS A 1 254 ? -10.329 8.090 15.614 1.00 28.81 ? 595 HIS A O 1 ATOM 1922 C CB . HIS A 1 254 ? -11.228 5.009 15.752 1.00 27.03 ? 595 HIS A CB 1 ATOM 1923 C CG . HIS A 1 254 ? -12.179 3.879 15.571 1.00 27.72 ? 595 HIS A CG 1 ATOM 1924 N ND1 . HIS A 1 254 ? -11.794 2.552 15.574 1.00 27.28 ? 595 HIS A ND1 1 ATOM 1925 C CD2 . HIS A 1 254 ? -13.524 3.875 15.384 1.00 27.97 ? 595 HIS A CD2 1 ATOM 1926 C CE1 . HIS A 1 254 ? -12.854 1.789 15.397 1.00 27.23 ? 595 HIS A CE1 1 ATOM 1927 N NE2 . HIS A 1 254 ? -13.914 2.567 15.279 1.00 28.21 ? 595 HIS A NE2 1 ATOM 1928 N N . ALA A 1 255 ? -10.496 7.466 17.785 1.00 27.82 ? 596 ALA A N 1 ATOM 1929 C CA . ALA A 1 255 ? -9.503 8.425 18.261 1.00 27.09 ? 596 ALA A CA 1 ATOM 1930 C C . ALA A 1 255 ? -8.705 7.880 19.420 1.00 27.25 ? 596 ALA A C 1 ATOM 1931 O O . ALA A 1 255 ? -9.106 6.948 20.118 1.00 27.24 ? 596 ALA A O 1 ATOM 1932 C CB . ALA A 1 255 ? -10.176 9.733 18.685 1.00 25.36 ? 596 ALA A CB 1 ATOM 1933 N N . VAL A 1 256 ? -7.559 8.502 19.620 1.00 25.56 ? 597 VAL A N 1 ATOM 1934 C CA . VAL A 1 256 ? -6.656 8.150 20.690 1.00 23.65 ? 597 VAL A CA 1 ATOM 1935 C C . VAL A 1 256 ? -7.126 8.823 21.962 1.00 22.90 ? 597 VAL A C 1 ATOM 1936 O O . VAL A 1 256 ? -7.524 9.996 21.949 1.00 22.03 ? 597 VAL A O 1 ATOM 1937 C CB . VAL A 1 256 ? -5.247 8.668 20.399 1.00 22.97 ? 597 VAL A CB 1 ATOM 1938 C CG1 . VAL A 1 256 ? -4.337 8.414 21.583 1.00 23.62 ? 597 VAL A CG1 1 ATOM 1939 C CG2 . VAL A 1 256 ? -4.709 8.029 19.157 1.00 24.32 ? 597 VAL A CG2 1 ATOM 1940 N N . VAL A 1 257 ? -7.125 8.083 23.064 1.00 22.10 ? 598 VAL A N 1 ATOM 1941 C CA . VAL A 1 257 ? -7.489 8.707 24.328 1.00 23.53 ? 598 VAL A CA 1 ATOM 1942 C C . VAL A 1 257 ? -6.376 8.448 25.315 1.00 25.95 ? 598 VAL A C 1 ATOM 1943 O O . VAL A 1 257 ? -5.673 7.425 25.256 1.00 27.38 ? 598 VAL A O 1 ATOM 1944 C CB . VAL A 1 257 ? -8.805 8.171 24.996 1.00 22.16 ? 598 VAL A CB 1 ATOM 1945 C CG1 . VAL A 1 257 ? -10.007 8.426 24.107 1.00 20.18 ? 598 VAL A CG1 1 ATOM 1946 C CG2 . VAL A 1 257 ? -8.653 6.695 25.350 1.00 22.05 ? 598 VAL A CG2 1 ATOM 1947 N N . SER A 1 258 ? -6.166 9.407 26.203 1.00 27.77 ? 599 SER A N 1 ATOM 1948 C CA . SER A 1 258 ? -5.172 9.240 27.253 1.00 28.18 ? 599 SER A CA 1 ATOM 1949 C C . SER A 1 258 ? -5.761 9.953 28.466 1.00 28.86 ? 599 SER A C 1 ATOM 1950 O O . SER A 1 258 ? -6.847 10.551 28.399 1.00 29.57 ? 599 SER A O 1 ATOM 1951 C CB . SER A 1 258 ? -3.834 9.889 26.904 1.00 26.26 ? 599 SER A CB 1 ATOM 1952 O OG . SER A 1 258 ? -3.933 11.302 26.991 1.00 27.23 ? 599 SER A OG 1 ATOM 1953 N N . ARG A 1 259 ? -5.066 9.861 29.592 1.00 30.43 ? 600 ARG A N 1 ATOM 1954 C CA . ARG A 1 259 ? -5.500 10.530 30.813 1.00 31.91 ? 600 ARG A CA 1 ATOM 1955 C C . ARG A 1 259 ? -5.239 12.021 30.576 1.00 32.54 ? 600 ARG A C 1 ATOM 1956 O O . ARG A 1 259 ? -4.195 12.404 30.015 1.00 33.10 ? 600 ARG A O 1 ATOM 1957 C CB . ARG A 1 259 ? -4.667 10.067 32.001 1.00 32.41 ? 600 ARG A CB 1 ATOM 1958 C CG . ARG A 1 259 ? -5.499 9.469 33.099 1.00 33.64 ? 600 ARG A CG 1 ATOM 1959 C CD . ARG A 1 259 ? -4.685 8.574 34.018 1.00 30.52 ? 600 ARG A CD 1 ATOM 1960 N NE . ARG A 1 259 ? -3.759 9.327 34.851 1.00 29.62 ? 600 ARG A NE 1 ATOM 1961 C CZ . ARG A 1 259 ? -3.280 8.888 36.011 1.00 28.90 ? 600 ARG A CZ 1 ATOM 1962 N NH1 . ARG A 1 259 ? -3.646 7.702 36.485 1.00 25.13 ? 600 ARG A NH1 1 ATOM 1963 N NH2 . ARG A 1 259 ? -2.436 9.642 36.701 1.00 29.43 ? 600 ARG A NH2 1 ATOM 1964 N N . SER A 1 260 ? -6.170 12.855 31.030 0.50 33.21 ? 601 SER A N 1 ATOM 1965 C CA . SER A 1 260 ? -6.108 14.310 30.889 0.50 34.41 ? 601 SER A CA 1 ATOM 1966 C C . SER A 1 260 ? -4.720 14.915 31.083 0.50 35.56 ? 601 SER A C 1 ATOM 1967 O O . SER A 1 260 ? -4.314 15.790 30.323 0.50 35.83 ? 601 SER A O 1 ATOM 1968 C CB . SER A 1 260 ? -7.068 14.983 31.879 0.50 33.99 ? 601 SER A CB 1 ATOM 1969 O OG . SER A 1 260 ? -8.034 14.089 32.403 0.50 34.14 ? 601 SER A OG 1 ATOM 1970 N N . ASP A 1 261 ? -4.004 14.449 32.100 1.00 36.89 ? 602 ASP A N 1 ATOM 1971 C CA . ASP A 1 261 ? -2.675 14.956 32.430 1.00 38.16 ? 602 ASP A CA 1 ATOM 1972 C C . ASP A 1 261 ? -1.536 14.404 31.576 1.00 38.57 ? 602 ASP A C 1 ATOM 1973 O O . ASP A 1 261 ? -0.400 14.874 31.656 1.00 38.11 ? 602 ASP A O 1 ATOM 1974 C CB . ASP A 1 261 ? -2.393 14.718 33.919 1.00 38.49 ? 602 ASP A CB 1 ATOM 1975 C CG . ASP A 1 261 ? -3.120 13.512 34.467 1.00 39.82 ? 602 ASP A CG 1 ATOM 1976 O OD1 . ASP A 1 261 ? -4.369 13.513 34.414 1.00 41.36 ? 602 ASP A OD1 1 ATOM 1977 O OD2 . ASP A 1 261 ? -2.451 12.573 34.951 1.00 39.07 ? 602 ASP A OD2 1 ATOM 1978 N N . ARG A 1 262 ? -1.845 13.419 30.737 1.00 38.98 ? 603 ARG A N 1 ATOM 1979 C CA . ARG A 1 262 ? -0.844 12.813 29.854 1.00 38.45 ? 603 ARG A CA 1 ATOM 1980 C C . ARG A 1 262 ? -1.108 13.193 28.396 1.00 38.18 ? 603 ARG A C 1 ATOM 1981 O O . ARG A 1 262 ? -0.255 12.991 27.523 1.00 38.39 ? 603 ARG A O 1 ATOM 1982 C CB . ARG A 1 262 ? -0.880 11.289 29.961 1.00 37.90 ? 603 ARG A CB 1 ATOM 1983 C CG . ARG A 1 262 ? -0.305 10.701 31.250 1.00 39.04 ? 603 ARG A CG 1 ATOM 1984 C CD . ARG A 1 262 ? 1.183 11.050 31.415 1.00 40.24 ? 603 ARG A CD 1 ATOM 1985 N NE . ARG A 1 262 ? 2.044 10.223 30.570 1.00 40.35 ? 603 ARG A NE 1 ATOM 1986 C CZ . ARG A 1 262 ? 3.289 10.535 30.226 1.00 41.69 ? 603 ARG A CZ 1 ATOM 1987 N NH1 . ARG A 1 262 ? 3.842 11.668 30.647 1.00 42.42 ? 603 ARG A NH1 1 ATOM 1988 N NH2 . ARG A 1 262 ? 3.988 9.713 29.453 1.00 42.33 ? 603 ARG A NH2 1 ATOM 1989 N N . ALA A 1 263 ? -2.280 13.765 28.131 1.00 38.25 ? 604 ALA A N 1 ATOM 1990 C CA . ALA A 1 263 ? -2.685 14.119 26.769 1.00 38.95 ? 604 ALA A CA 1 ATOM 1991 C C . ALA A 1 263 ? -1.734 14.921 25.916 1.00 39.84 ? 604 ALA A C 1 ATOM 1992 O O . ALA A 1 263 ? -1.509 14.608 24.742 1.00 39.86 ? 604 ALA A O 1 ATOM 1993 C CB . ALA A 1 263 ? -4.058 14.799 26.790 1.00 37.41 ? 604 ALA A CB 1 ATOM 1994 N N . ALA A 1 264 ? -1.173 15.949 26.524 1.00 40.36 ? 605 ALA A N 1 ATOM 1995 C CA . ALA A 1 264 ? -0.244 16.824 25.844 1.00 39.99 ? 605 ALA A CA 1 ATOM 1996 C C . ALA A 1 264 ? 0.978 16.082 25.401 1.00 39.97 ? 605 ALA A C 1 ATOM 1997 O O . ALA A 1 264 ? 1.473 16.294 24.295 1.00 39.00 ? 605 ALA A O 1 ATOM 1998 C CB . ALA A 1 264 ? 0.156 17.971 26.752 1.00 38.87 ? 605 ALA A CB 1 ATOM 1999 N N . HIS A 1 265 ? 1.471 15.201 26.260 1.00 41.55 ? 606 HIS A N 1 ATOM 2000 C CA . HIS A 1 265 ? 2.664 14.484 25.884 1.00 43.04 ? 606 HIS A CA 1 ATOM 2001 C C . HIS A 1 265 ? 2.410 13.347 24.938 1.00 43.14 ? 606 HIS A C 1 ATOM 2002 O O . HIS A 1 265 ? 3.248 13.072 24.076 1.00 43.65 ? 606 HIS A O 1 ATOM 2003 C CB . HIS A 1 265 ? 3.429 13.987 27.097 1.00 45.43 ? 606 HIS A CB 1 ATOM 2004 C CG . HIS A 1 265 ? 4.911 14.102 26.925 1.00 49.47 ? 606 HIS A CG 1 ATOM 2005 N ND1 . HIS A 1 265 ? 5.743 13.006 26.831 1.00 49.53 ? 606 HIS A ND1 1 ATOM 2006 C CD2 . HIS A 1 265 ? 5.694 15.191 26.738 1.00 49.40 ? 606 HIS A CD2 1 ATOM 2007 C CE1 . HIS A 1 265 ? 6.974 13.419 26.589 1.00 50.30 ? 606 HIS A CE1 1 ATOM 2008 N NE2 . HIS A 1 265 ? 6.974 14.738 26.531 1.00 50.71 ? 606 HIS A NE2 1 ATOM 2009 N N . VAL A 1 266 ? 1.254 12.702 25.089 1.00 41.83 ? 607 VAL A N 1 ATOM 2010 C CA . VAL A 1 266 ? 0.874 11.607 24.218 1.00 41.05 ? 607 VAL A CA 1 ATOM 2011 C C . VAL A 1 266 ? 0.689 12.238 22.835 1.00 41.18 ? 607 VAL A C 1 ATOM 2012 O O . VAL A 1 266 ? 1.100 11.679 21.819 1.00 41.28 ? 607 VAL A O 1 ATOM 2013 C CB . VAL A 1 266 ? -0.437 10.937 24.707 1.00 40.30 ? 607 VAL A CB 1 ATOM 2014 C CG1 . VAL A 1 266 ? -1.035 10.058 23.605 1.00 38.96 ? 607 VAL A CG1 1 ATOM 2015 C CG2 . VAL A 1 266 ? -0.135 10.084 25.942 1.00 38.28 ? 607 VAL A CG2 1 ATOM 2016 N N . GLU A 1 267 ? 0.092 13.422 22.794 1.00 42.13 ? 608 GLU A N 1 ATOM 2017 C CA . GLU A 1 267 ? -0.110 14.099 21.516 1.00 43.92 ? 608 GLU A CA 1 ATOM 2018 C C . GLU A 1 267 ? 1.228 14.377 20.816 1.00 44.24 ? 608 GLU A C 1 ATOM 2019 O O . GLU A 1 267 ? 1.421 14.019 19.653 1.00 44.77 ? 608 GLU A O 1 ATOM 2020 C CB . GLU A 1 267 ? -0.831 15.417 21.725 1.00 44.08 ? 608 GLU A CB 1 ATOM 2021 C CG . GLU A 1 267 ? -1.068 16.172 20.444 1.00 48.02 ? 608 GLU A CG 1 ATOM 2022 C CD . GLU A 1 267 ? -1.929 17.399 20.640 1.00 50.77 ? 608 GLU A CD 1 ATOM 2023 O OE1 . GLU A 1 267 ? -2.760 17.399 21.573 1.00 52.69 ? 608 GLU A OE1 1 ATOM 2024 O OE2 . GLU A 1 267 ? -1.790 18.355 19.847 1.00 52.45 ? 608 GLU A OE2 1 ATOM 2025 N N . GLN A 1 268 ? 2.154 15.015 21.528 1.00 44.86 ? 609 GLN A N 1 ATOM 2026 C CA . GLN A 1 268 ? 3.458 15.358 20.959 1.00 45.71 ? 609 GLN A CA 1 ATOM 2027 C C . GLN A 1 268 ? 4.189 14.153 20.401 1.00 44.91 ? 609 GLN A C 1 ATOM 2028 O O . GLN A 1 268 ? 4.624 14.149 19.254 1.00 45.16 ? 609 GLN A O 1 ATOM 2029 C CB . GLN A 1 268 ? 4.333 16.064 22.005 1.00 48.38 ? 609 GLN A CB 1 ATOM 2030 C CG . GLN A 1 268 ? 5.774 16.327 21.574 1.00 52.44 ? 609 GLN A CG 1 ATOM 2031 C CD . GLN A 1 268 ? 6.786 15.879 22.619 1.00 54.61 ? 609 GLN A CD 1 ATOM 2032 O OE1 . GLN A 1 268 ? 6.776 16.346 23.757 1.00 55.90 ? 609 GLN A OE1 1 ATOM 2033 N NE2 . GLN A 1 268 ? 7.668 14.968 22.229 1.00 56.36 ? 609 GLN A NE2 1 ATOM 2034 N N . VAL A 1 269 ? 4.305 13.115 21.211 1.00 43.70 ? 610 VAL A N 1 ATOM 2035 C CA . VAL A 1 269 ? 4.986 11.908 20.787 1.00 42.45 ? 610 VAL A CA 1 ATOM 2036 C C . VAL A 1 269 ? 4.325 11.290 19.551 1.00 43.11 ? 610 VAL A C 1 ATOM 2037 O O . VAL A 1 269 ? 5.019 10.875 18.625 1.00 43.58 ? 610 VAL A O 1 ATOM 2038 C CB . VAL A 1 269 ? 5.045 10.892 21.966 1.00 41.98 ? 610 VAL A CB 1 ATOM 2039 C CG1 . VAL A 1 269 ? 5.542 9.531 21.497 1.00 39.77 ? 610 VAL A CG1 1 ATOM 2040 C CG2 . VAL A 1 269 ? 5.971 11.436 23.057 1.00 40.80 ? 610 VAL A CG2 1 ATOM 2041 N N . LEU A 1 270 ? 2.991 11.265 19.529 1.00 43.23 ? 611 LEU A N 1 ATOM 2042 C CA . LEU A 1 270 ? 2.220 10.680 18.429 1.00 44.06 ? 611 LEU A CA 1 ATOM 2043 C C . LEU A 1 270 ? 2.443 11.343 17.084 1.00 44.67 ? 611 LEU A C 1 ATOM 2044 O O . LEU A 1 270 ? 2.694 10.659 16.085 1.00 44.99 ? 611 LEU A O 1 ATOM 2045 C CB . LEU A 1 270 ? 0.716 10.682 18.767 1.00 44.30 ? 611 LEU A CB 1 ATOM 2046 C CG . LEU A 1 270 ? 0.140 9.324 19.181 1.00 43.55 ? 611 LEU A CG 1 ATOM 2047 C CD1 . LEU A 1 270 ? 0.953 8.748 20.325 1.00 43.37 ? 611 LEU A CD1 1 ATOM 2048 C CD2 . LEU A 1 270 ? -1.316 9.501 19.597 1.00 43.79 ? 611 LEU A CD2 1 ATOM 2049 N N . LEU A 1 271 ? 2.329 12.668 17.059 1.00 45.04 ? 612 LEU A N 1 ATOM 2050 C CA . LEU A 1 271 ? 2.551 13.434 15.845 1.00 45.48 ? 612 LEU A CA 1 ATOM 2051 C C . LEU A 1 271 ? 3.983 13.103 15.370 1.00 46.17 ? 612 LEU A C 1 ATOM 2052 O O . LEU A 1 271 ? 4.222 12.956 14.174 1.00 47.40 ? 612 LEU A O 1 ATOM 2053 C CB . LEU A 1 271 ? 2.422 14.935 16.134 1.00 44.95 ? 612 LEU A CB 1 ATOM 2054 C CG . LEU A 1 271 ? 1.029 15.458 16.521 1.00 45.75 ? 612 LEU A CG 1 ATOM 2055 C CD1 . LEU A 1 271 ? 1.140 16.924 16.898 1.00 44.88 ? 612 LEU A CD1 1 ATOM 2056 C CD2 . LEU A 1 271 ? 0.048 15.276 15.361 1.00 44.42 ? 612 LEU A CD2 1 ATOM 2057 N N . HIS A 1 272 ? 4.947 12.993 16.287 1.00 46.48 ? 613 HIS A N 1 ATOM 2058 C CA . HIS A 1 272 ? 6.319 12.675 15.880 0.50 46.97 ? 613 HIS A CA 1 ATOM 2059 C C . HIS A 1 272 ? 6.404 11.212 15.414 1.00 47.28 ? 613 HIS A C 1 ATOM 2060 O O . HIS A 1 272 ? 7.230 10.874 14.568 1.00 48.37 ? 613 HIS A O 1 ATOM 2061 C CB . HIS A 1 272 ? 7.296 12.939 17.031 0.50 47.19 ? 613 HIS A CB 1 ATOM 2062 C CG . HIS A 1 272 ? 7.362 14.375 17.449 0.50 48.18 ? 613 HIS A CG 1 ATOM 2063 N ND1 . HIS A 1 272 ? 7.560 14.768 18.754 0.50 48.82 ? 613 HIS A ND1 1 ATOM 2064 C CD2 . HIS A 1 272 ? 7.223 15.518 16.731 0.50 48.44 ? 613 HIS A CD2 1 ATOM 2065 C CE1 . HIS A 1 272 ? 7.538 16.086 18.826 0.50 49.11 ? 613 HIS A CE1 1 ATOM 2066 N NE2 . HIS A 1 272 ? 7.333 16.565 17.611 0.50 49.13 ? 613 HIS A NE2 1 ATOM 2067 N N . GLN A 1 273 ? 5.544 10.341 15.939 1.00 46.92 ? 614 GLN A N 1 ATOM 2068 C CA . GLN A 1 273 ? 5.573 8.939 15.524 1.00 46.38 ? 614 GLN A CA 1 ATOM 2069 C C . GLN A 1 273 ? 4.929 8.721 14.146 1.00 45.87 ? 614 GLN A C 1 ATOM 2070 O O . GLN A 1 273 ? 5.424 7.902 13.374 1.00 45.22 ? 614 GLN A O 1 ATOM 2071 C CB . GLN A 1 273 ? 4.906 8.048 16.579 1.00 46.35 ? 614 GLN A CB 1 ATOM 2072 C CG . GLN A 1 273 ? 5.708 7.926 17.872 1.00 45.76 ? 614 GLN A CG 1 ATOM 2073 C CD . GLN A 1 273 ? 7.071 7.286 17.664 1.00 46.03 ? 614 GLN A CD 1 ATOM 2074 O OE1 . GLN A 1 273 ? 7.167 6.132 17.246 1.00 45.00 ? 614 GLN A OE1 1 ATOM 2075 N NE2 . GLN A 1 273 ? 8.134 8.035 17.961 1.00 46.11 ? 614 GLN A NE2 1 ATOM 2076 N N . GLN A 1 274 ? 3.856 9.445 13.817 1.00 46.14 ? 615 GLN A N 1 ATOM 2077 C CA . GLN A 1 274 ? 3.243 9.269 12.503 1.00 46.27 ? 615 GLN A CA 1 ATOM 2078 C C . GLN A 1 274 ? 4.116 9.954 11.430 1.00 47.10 ? 615 GLN A C 1 ATOM 2079 O O . GLN A 1 274 ? 4.162 9.497 10.286 1.00 46.90 ? 615 GLN A O 1 ATOM 2080 C CB . GLN A 1 274 ? 1.801 9.799 12.486 1.00 44.39 ? 615 GLN A CB 1 ATOM 2081 C CG . GLN A 1 274 ? 1.653 11.237 12.778 1.00 42.76 ? 615 GLN A CG 1 ATOM 2082 C CD . GLN A 1 274 ? 0.241 11.684 12.528 1.00 43.10 ? 615 GLN A CD 1 ATOM 2083 O OE1 . GLN A 1 274 ? -0.583 10.917 12.020 1.00 43.97 ? 615 GLN A OE1 1 ATOM 2084 N NE2 . GLN A 1 274 ? -0.054 12.932 12.871 1.00 41.39 ? 615 GLN A NE2 1 ATOM 2085 N N . ALA A 1 275 ? 4.818 11.034 11.790 1.00 47.74 ? 616 ALA A N 1 ATOM 2086 C CA . ALA A 1 275 ? 5.720 11.702 10.843 1.00 48.52 ? 616 ALA A CA 1 ATOM 2087 C C . ALA A 1 275 ? 6.762 10.619 10.442 1.00 49.31 ? 616 ALA A C 1 ATOM 2088 O O . ALA A 1 275 ? 7.341 10.661 9.352 1.00 50.47 ? 616 ALA A O 1 ATOM 2089 C CB . ALA A 1 275 ? 6.422 12.879 11.523 1.00 47.87 ? 616 ALA A CB 1 ATOM 2090 N N . LEU A 1 276 ? 7.023 9.653 11.332 1.00 49.22 ? 617 LEU A N 1 ATOM 2091 C CA . LEU A 1 276 ? 7.992 8.574 11.039 1.00 49.50 ? 617 LEU A CA 1 ATOM 2092 C C . LEU A 1 276 ? 7.336 7.299 10.455 1.00 51.06 ? 617 LEU A C 1 ATOM 2093 O O . LEU A 1 276 ? 7.870 6.684 9.524 1.00 51.85 ? 617 LEU A O 1 ATOM 2094 C CB . LEU A 1 276 ? 8.790 8.172 12.298 1.00 47.82 ? 617 LEU A CB 1 ATOM 2095 C CG . LEU A 1 276 ? 9.654 9.172 13.095 1.00 48.13 ? 617 LEU A CG 1 ATOM 2096 C CD1 . LEU A 1 276 ? 10.445 8.406 14.165 1.00 46.24 ? 617 LEU A CD1 1 ATOM 2097 C CD2 . LEU A 1 276 ? 10.630 9.905 12.166 1.00 46.41 ? 617 LEU A CD2 1 ATOM 2098 N N . PHE A 1 277 ? 6.163 6.914 10.961 1.00 51.71 ? 618 PHE A N 1 ATOM 2099 C CA . PHE A 1 277 ? 5.530 5.671 10.522 1.00 51.79 ? 618 PHE A CA 1 ATOM 2100 C C . PHE A 1 277 ? 4.142 5.747 9.881 1.00 52.53 ? 618 PHE A C 1 ATOM 2101 O O . PHE A 1 277 ? 3.557 4.712 9.527 1.00 52.92 ? 618 PHE A O 1 ATOM 2102 C CB . PHE A 1 277 ? 5.516 4.717 11.716 1.00 50.87 ? 618 PHE A CB 1 ATOM 2103 C CG . PHE A 1 277 ? 6.858 4.615 12.437 1.00 51.11 ? 618 PHE A CG 1 ATOM 2104 C CD1 . PHE A 1 277 ? 7.921 3.896 11.881 1.00 51.47 ? 618 PHE A CD1 1 ATOM 2105 C CD2 . PHE A 1 277 ? 7.051 5.232 13.672 1.00 50.56 ? 618 PHE A CD2 1 ATOM 2106 C CE1 . PHE A 1 277 ? 9.150 3.799 12.546 1.00 50.99 ? 618 PHE A CE1 1 ATOM 2107 C CE2 . PHE A 1 277 ? 8.274 5.138 14.341 1.00 50.93 ? 618 PHE A CE2 1 ATOM 2108 C CZ . PHE A 1 277 ? 9.323 4.421 13.777 1.00 50.87 ? 618 PHE A CZ 1 ATOM 2109 N N . GLY A 1 278 ? 3.631 6.969 9.755 1.00 53.52 ? 619 GLY A N 1 ATOM 2110 C CA . GLY A 1 278 ? 2.323 7.201 9.160 1.00 55.52 ? 619 GLY A CA 1 ATOM 2111 C C . GLY A 1 278 ? 2.247 6.918 7.660 1.00 57.05 ? 619 GLY A C 1 ATOM 2112 O O . GLY A 1 278 ? 3.116 6.229 7.113 1.00 56.12 ? 619 GLY A O 1 ATOM 2113 N N . LYS A 1 279 ? 1.236 7.477 6.987 1.00 59.10 ? 620 LYS A N 1 ATOM 2114 C CA . LYS A 1 279 ? 1.032 7.258 5.552 1.00 61.21 ? 620 LYS A CA 1 ATOM 2115 C C . LYS A 1 279 ? 2.183 7.699 4.659 1.00 61.89 ? 620 LYS A C 1 ATOM 2116 O O . LYS A 1 279 ? 2.419 7.095 3.611 1.00 62.24 ? 620 LYS A O 1 ATOM 2117 C CB . LYS A 1 279 ? -0.278 7.916 5.083 1.00 62.53 ? 620 LYS A CB 1 ATOM 2118 C CG . LYS A 1 279 ? -0.823 7.373 3.746 1.00 63.97 ? 620 LYS A CG 1 ATOM 2119 C CD . LYS A 1 279 ? -1.557 8.475 2.981 1.00 65.48 ? 620 LYS A CD 1 ATOM 2120 C CE . LYS A 1 279 ? -2.750 7.959 2.175 1.00 65.94 ? 620 LYS A CE 1 ATOM 2121 N NZ . LYS A 1 279 ? -2.379 7.236 0.927 1.00 67.17 ? 620 LYS A NZ 1 ATOM 2122 N N . ASN A 1 280 ? 2.883 8.754 5.052 1.00 62.83 ? 621 ASN A N 1 ATOM 2123 C CA . ASN A 1 280 ? 4.028 9.196 4.270 1.00 63.94 ? 621 ASN A CA 1 ATOM 2124 C C . ASN A 1 280 ? 5.261 9.143 5.158 1.00 63.60 ? 621 ASN A C 1 ATOM 2125 O O . ASN A 1 280 ? 6.317 9.702 4.839 1.00 63.53 ? 621 ASN A O 1 ATOM 2126 C CB . ASN A 1 280 ? 3.794 10.598 3.708 1.00 65.14 ? 621 ASN A CB 1 ATOM 2127 C CG . ASN A 1 280 ? 2.717 10.611 2.652 1.00 66.22 ? 621 ASN A CG 1 ATOM 2128 O OD1 . ASN A 1 280 ? 2.675 9.725 1.799 1.00 66.12 ? 621 ASN A OD1 1 ATOM 2129 N ND2 . ASN A 1 280 ? 1.839 11.605 2.698 1.00 66.49 ? 621 ASN A ND2 1 ATOM 2130 N N . GLY A 1 281 ? 5.114 8.420 6.264 1.00 63.08 ? 622 GLY A N 1 ATOM 2131 C CA . GLY A 1 281 ? 6.192 8.257 7.216 1.00 63.17 ? 622 GLY A CA 1 ATOM 2132 C C . GLY A 1 281 ? 7.534 8.041 6.564 1.00 62.98 ? 622 GLY A C 1 ATOM 2133 O O . GLY A 1 281 ? 7.653 7.305 5.586 1.00 62.96 ? 622 GLY A O 1 ATOM 2134 N N . LYS A 1 282 ? 8.539 8.709 7.116 1.00 63.49 ? 623 LYS A N 1 ATOM 2135 C CA . LYS A 1 282 ? 9.899 8.613 6.622 1.00 63.33 ? 623 LYS A CA 1 ATOM 2136 C C . LYS A 1 282 ? 10.336 7.167 6.536 1.00 62.68 ? 623 LYS A C 1 ATOM 2137 O O . LYS A 1 282 ? 10.993 6.763 5.583 1.00 62.72 ? 623 LYS A O 1 ATOM 2138 C CB . LYS A 1 282 ? 10.852 9.358 7.550 1.00 64.12 ? 623 LYS A CB 1 ATOM 2139 C CG . LYS A 1 282 ? 11.020 10.821 7.211 1.00 65.16 ? 623 LYS A CG 1 ATOM 2140 C CD . LYS A 1 282 ? 10.410 11.747 8.246 1.00 65.64 ? 623 LYS A CD 1 ATOM 2141 C CE . LYS A 1 282 ? 11.388 12.876 8.549 1.00 66.43 ? 623 LYS A CE 1 ATOM 2142 N NZ . LYS A 1 282 ? 10.768 14.234 8.579 1.00 67.38 ? 623 LYS A NZ 1 ATOM 2143 N N . ASN A 1 283 ? 9.973 6.381 7.539 1.00 62.13 ? 624 ASN A N 1 ATOM 2144 C CA . ASN A 1 283 ? 10.369 4.983 7.583 1.00 61.97 ? 624 ASN A CA 1 ATOM 2145 C C . ASN A 1 283 ? 9.197 4.045 7.315 1.00 61.35 ? 624 ASN A C 1 ATOM 2146 O O . ASN A 1 283 ? 9.350 2.824 7.457 1.00 60.82 ? 624 ASN A O 1 ATOM 2147 C CB . ASN A 1 283 ? 10.948 4.651 8.960 1.00 62.57 ? 624 ASN A CB 1 ATOM 2148 C CG . ASN A 1 283 ? 12.072 5.593 9.377 1.00 64.05 ? 624 ASN A CG 1 ATOM 2149 O OD1 . ASN A 1 283 ? 12.482 6.454 8.606 1.00 64.83 ? 624 ASN A OD1 1 ATOM 2150 N ND2 . ASN A 1 283 ? 12.580 5.423 10.602 1.00 64.16 ? 624 ASN A ND2 1 ATOM 2151 N N . CYS A 1 284 ? 8.041 4.567 6.895 1.00 61.09 ? 625 CYS A N 1 ATOM 2152 C CA . CYS A 1 284 ? 6.899 3.661 6.729 1.00 61.08 ? 625 CYS A CA 1 ATOM 2153 C C . CYS A 1 284 ? 7.128 2.508 5.797 1.00 61.95 ? 625 CYS A C 1 ATOM 2154 O O . CYS A 1 284 ? 7.527 1.445 6.264 1.00 62.97 ? 625 CYS A O 1 ATOM 2155 C CB . CYS A 1 284 ? 5.596 4.412 6.415 1.00 58.92 ? 625 CYS A CB 1 ATOM 2156 S SG . CYS A 1 284 ? 4.046 3.468 6.059 1.00 55.41 ? 625 CYS A SG 1 ATOM 2157 N N . PRO A 1 285 ? 6.892 2.677 4.489 1.00 62.22 ? 626 PRO A N 1 ATOM 2158 C CA . PRO A 1 285 ? 7.116 1.508 3.630 1.00 62.52 ? 626 PRO A CA 1 ATOM 2159 C C . PRO A 1 285 ? 8.287 0.594 4.008 1.00 63.11 ? 626 PRO A C 1 ATOM 2160 O O . PRO A 1 285 ? 8.081 -0.599 4.222 1.00 63.15 ? 626 PRO A O 1 ATOM 2161 C CB . PRO A 1 285 ? 7.280 2.126 2.244 1.00 62.19 ? 626 PRO A CB 1 ATOM 2162 C CG . PRO A 1 285 ? 6.362 3.316 2.293 1.00 62.85 ? 626 PRO A CG 1 ATOM 2163 C CD . PRO A 1 285 ? 6.558 3.874 3.693 1.00 61.51 ? 626 PRO A CD 1 ATOM 2164 N N . ASP A 1 286 ? 9.500 1.143 4.119 1.00 63.67 ? 627 ASP A N 1 ATOM 2165 C CA . ASP A 1 286 ? 10.660 0.307 4.447 1.00 64.26 ? 627 ASP A CA 1 ATOM 2166 C C . ASP A 1 286 ? 10.691 -0.357 5.799 1.00 63.52 ? 627 ASP A C 1 ATOM 2167 O O . ASP A 1 286 ? 10.682 -1.584 5.906 1.00 63.34 ? 627 ASP A O 1 ATOM 2168 C CB . ASP A 1 286 ? 12.006 1.041 4.333 1.00 65.73 ? 627 ASP A CB 1 ATOM 2169 C CG . ASP A 1 286 ? 11.901 2.424 3.749 1.00 66.92 ? 627 ASP A CG 1 ATOM 2170 O OD1 . ASP A 1 286 ? 11.687 2.534 2.525 1.00 67.10 ? 627 ASP A OD1 1 ATOM 2171 O OD2 . ASP A 1 286 ? 12.044 3.401 4.522 1.00 67.70 ? 627 ASP A OD2 1 ATOM 2172 N N . LYS A 1 287 ? 10.735 0.464 6.835 1.00 62.76 ? 628 LYS A N 1 ATOM 2173 C CA . LYS A 1 287 ? 10.849 -0.048 8.178 1.00 62.01 ? 628 LYS A CA 1 ATOM 2174 C C . LYS A 1 287 ? 9.581 -0.457 8.924 1.00 60.67 ? 628 LYS A C 1 ATOM 2175 O O . LYS A 1 287 ? 9.433 -1.626 9.280 1.00 61.76 ? 628 LYS A O 1 ATOM 2176 C CB . LYS A 1 287 ? 11.702 0.929 8.982 1.00 63.35 ? 628 LYS A CB 1 ATOM 2177 C CG . LYS A 1 287 ? 12.924 1.460 8.182 1.00 65.03 ? 628 LYS A CG 1 ATOM 2178 C CD . LYS A 1 287 ? 14.069 1.938 9.075 1.00 66.22 ? 628 LYS A CD 1 ATOM 2179 C CE . LYS A 1 287 ? 14.890 0.773 9.613 1.00 67.65 ? 628 LYS A CE 1 ATOM 2180 N NZ . LYS A 1 287 ? 15.848 1.219 10.668 1.00 69.15 ? 628 LYS A NZ 1 ATOM 2181 N N . PHE A 1 288 ? 8.669 0.475 9.162 1.00 57.97 ? 629 PHE A N 1 ATOM 2182 C CA . PHE A 1 288 ? 7.443 0.121 9.874 1.00 55.58 ? 629 PHE A CA 1 ATOM 2183 C C . PHE A 1 288 ? 6.282 1.032 9.504 1.00 54.74 ? 629 PHE A C 1 ATOM 2184 O O . PHE A 1 288 ? 6.449 2.243 9.340 1.00 55.37 ? 629 PHE A O 1 ATOM 2185 C CB . PHE A 1 288 ? 7.673 0.178 11.391 1.00 54.42 ? 629 PHE A CB 1 ATOM 2186 C CG . PHE A 1 288 ? 6.450 -0.179 12.225 1.00 53.69 ? 629 PHE A CG 1 ATOM 2187 C CD1 . PHE A 1 288 ? 6.005 -1.499 12.322 1.00 53.95 ? 629 PHE A CD1 1 ATOM 2188 C CD2 . PHE A 1 288 ? 5.738 0.810 12.902 1.00 52.95 ? 629 PHE A CD2 1 ATOM 2189 C CE1 . PHE A 1 288 ? 4.861 -1.823 13.066 1.00 52.56 ? 629 PHE A CE1 1 ATOM 2190 C CE2 . PHE A 1 288 ? 4.594 0.495 13.642 1.00 52.54 ? 629 PHE A CE2 1 ATOM 2191 C CZ . PHE A 1 288 ? 4.160 -0.825 13.727 1.00 52.06 ? 629 PHE A CZ 1 ATOM 2192 N N . CYS A 1 289 ? 5.103 0.448 9.351 1.00 52.88 ? 630 CYS A N 1 ATOM 2193 C CA . CYS A 1 289 ? 3.942 1.249 9.039 1.00 51.81 ? 630 CYS A CA 1 ATOM 2194 C C . CYS A 1 289 ? 2.876 1.129 10.128 1.00 50.01 ? 630 CYS A C 1 ATOM 2195 O O . CYS A 1 289 ? 2.224 0.093 10.318 1.00 49.04 ? 630 CYS A O 1 ATOM 2196 C CB . CYS A 1 289 ? 3.392 0.868 7.683 1.00 53.22 ? 630 CYS A CB 1 ATOM 2197 S SG . CYS A 1 289 ? 4.349 1.458 6.241 1.00 53.45 ? 630 CYS A SG 1 ATOM 2198 N N . LEU A 1 290 ? 2.742 2.223 10.868 1.00 48.04 ? 631 LEU A N 1 ATOM 2199 C CA . LEU A 1 290 ? 1.798 2.326 11.981 1.00 45.94 ? 631 LEU A CA 1 ATOM 2200 C C . LEU A 1 290 ? 0.379 1.962 11.589 1.00 45.42 ? 631 LEU A C 1 ATOM 2201 O O . LEU A 1 290 ? -0.324 1.281 12.343 1.00 45.39 ? 631 LEU A O 1 ATOM 2202 C CB . LEU A 1 290 ? 1.766 3.748 12.569 1.00 44.59 ? 631 LEU A CB 1 ATOM 2203 C CG . LEU A 1 290 ? 2.027 3.927 14.078 1.00 45.68 ? 631 LEU A CG 1 ATOM 2204 C CD1 . LEU A 1 290 ? 1.370 5.212 14.604 1.00 44.82 ? 631 LEU A CD1 1 ATOM 2205 C CD2 . LEU A 1 290 ? 1.433 2.731 14.821 1.00 44.89 ? 631 LEU A CD2 1 ATOM 2206 N N . PHE A 1 291 ? -0.043 2.418 10.412 1.00 44.33 ? 632 PHE A N 1 ATOM 2207 C CA . PHE A 1 291 ? -1.406 2.194 9.961 1.00 43.33 ? 632 PHE A CA 1 ATOM 2208 C C . PHE A 1 291 ? -1.694 1.021 9.019 1.00 44.35 ? 632 PHE A C 1 ATOM 2209 O O . PHE A 1 291 ? -2.710 1.006 8.313 1.00 44.79 ? 632 PHE A O 1 ATOM 2210 C CB . PHE A 1 291 ? -1.964 3.513 9.408 1.00 41.37 ? 632 PHE A CB 1 ATOM 2211 C CG . PHE A 1 291 ? -1.756 4.700 10.342 1.00 40.46 ? 632 PHE A CG 1 ATOM 2212 C CD1 . PHE A 1 291 ? -1.899 4.555 11.718 1.00 39.85 ? 632 PHE A CD1 1 ATOM 2213 C CD2 . PHE A 1 291 ? -1.393 5.952 9.844 1.00 40.77 ? 632 PHE A CD2 1 ATOM 2214 C CE1 . PHE A 1 291 ? -1.680 5.633 12.580 1.00 39.62 ? 632 PHE A CE1 1 ATOM 2215 C CE2 . PHE A 1 291 ? -1.174 7.034 10.700 1.00 39.62 ? 632 PHE A CE2 1 ATOM 2216 C CZ . PHE A 1 291 ? -1.315 6.871 12.069 1.00 38.55 ? 632 PHE A CZ 1 ATOM 2217 N N . LYS A 1 292 ? -0.790 0.050 8.997 1.00 44.56 ? 633 LYS A N 1 ATOM 2218 C CA . LYS A 1 292 ? -0.996 -1.151 8.200 1.00 45.93 ? 633 LYS A CA 1 ATOM 2219 C C . LYS A 1 292 ? -0.791 -2.384 9.096 1.00 45.90 ? 633 LYS A C 1 ATOM 2220 O O . LYS A 1 292 ? 0.002 -2.363 10.045 1.00 47.00 ? 633 LYS A O 1 ATOM 2221 C CB . LYS A 1 292 ? -0.080 -1.194 6.957 1.00 47.22 ? 633 LYS A CB 1 ATOM 2222 C CG . LYS A 1 292 ? -0.723 -0.535 5.712 1.00 49.56 ? 633 LYS A CG 1 ATOM 2223 C CD . LYS A 1 292 ? -0.670 1.005 5.763 1.00 51.36 ? 633 LYS A CD 1 ATOM 2224 C CE . LYS A 1 292 ? -1.924 1.665 5.158 1.00 52.37 ? 633 LYS A CE 1 ATOM 2225 N NZ . LYS A 1 292 ? -2.286 2.986 5.783 1.00 52.57 ? 633 LYS A NZ 1 ATOM 2226 N N . SER A 1 293 ? -1.529 -3.452 8.806 1.00 46.33 ? 634 SER A N 1 ATOM 2227 C CA . SER A 1 293 ? -1.486 -4.686 9.596 1.00 46.86 ? 634 SER A CA 1 ATOM 2228 C C . SER A 1 293 ? -2.100 -5.869 8.834 1.00 47.61 ? 634 SER A C 1 ATOM 2229 O O . SER A 1 293 ? -2.942 -6.587 9.372 1.00 48.80 ? 634 SER A O 1 ATOM 2230 C CB . SER A 1 293 ? -2.268 -4.465 10.894 1.00 46.94 ? 634 SER A CB 1 ATOM 2231 O OG . SER A 1 293 ? -3.542 -3.876 10.628 1.00 45.32 ? 634 SER A OG 1 ATOM 2232 N N . GLU A 1 294 ? -1.678 -6.073 7.590 0.50 47.07 ? 635 GLU A N 1 ATOM 2233 C CA . GLU A 1 294 ? -2.204 -7.154 6.752 0.50 46.97 ? 635 GLU A CA 1 ATOM 2234 C C . GLU A 1 294 ? -3.745 -7.191 6.666 0.50 46.87 ? 635 GLU A C 1 ATOM 2235 O O . GLU A 1 294 ? -4.307 -8.255 6.422 0.50 47.00 ? 635 GLU A O 1 ATOM 2236 C CB . GLU A 1 294 ? -1.713 -8.519 7.255 0.50 46.83 ? 635 GLU A CB 1 ATOM 2237 C CG . GLU A 1 294 ? -0.354 -9.016 6.767 0.50 46.78 ? 635 GLU A CG 1 ATOM 2238 C CD . GLU A 1 294 ? 0.008 -10.343 7.412 0.50 47.70 ? 635 GLU A CD 1 ATOM 2239 O OE1 . GLU A 1 294 ? 0.809 -11.112 6.834 0.50 47.02 ? 635 GLU A OE1 1 ATOM 2240 O OE2 . GLU A 1 294 ? -0.513 -10.611 8.516 0.50 47.93 ? 635 GLU A OE2 1 ATOM 2241 N N . THR A 1 295 ? -4.397 -6.040 6.874 1.00 47.07 ? 636 THR A N 1 ATOM 2242 C CA . THR A 1 295 ? -5.871 -5.859 6.820 1.00 47.19 ? 636 THR A CA 1 ATOM 2243 C C . THR A 1 295 ? -6.632 -6.177 8.123 1.00 46.45 ? 636 THR A C 1 ATOM 2244 O O . THR A 1 295 ? -7.861 -6.280 8.128 1.00 46.19 ? 636 THR A O 1 ATOM 2245 C CB . THR A 1 295 ? -6.530 -6.664 5.619 1.00 47.99 ? 636 THR A CB 1 ATOM 2246 O OG1 . THR A 1 295 ? -7.692 -5.966 5.146 1.00 48.74 ? 636 THR A OG1 1 ATOM 2247 C CG2 . THR A 1 295 ? -6.967 -8.094 6.038 1.00 46.75 ? 636 THR A CG2 1 ATOM 2248 N N . LYS A 1 296 ? -5.902 -6.272 9.231 1.00 45.87 ? 637 LYS A N 1 ATOM 2249 C CA . LYS A 1 296 ? -6.482 -6.607 10.530 1.00 44.07 ? 637 LYS A CA 1 ATOM 2250 C C . LYS A 1 296 ? -6.814 -5.448 11.488 1.00 42.96 ? 637 LYS A C 1 ATOM 2251 O O . LYS A 1 296 ? -7.232 -5.690 12.618 1.00 42.81 ? 637 LYS A O 1 ATOM 2252 C CB . LYS A 1 296 ? -5.550 -7.587 11.239 1.00 44.48 ? 637 LYS A CB 1 ATOM 2253 C CG . LYS A 1 296 ? -5.287 -8.896 10.491 1.00 44.86 ? 637 LYS A CG 1 ATOM 2254 C CD . LYS A 1 296 ? -3.824 -9.298 10.589 1.00 46.16 ? 637 LYS A CD 1 ATOM 2255 C CE . LYS A 1 296 ? -3.628 -10.807 10.460 1.00 47.58 ? 637 LYS A CE 1 ATOM 2256 N NZ . LYS A 1 296 ? -3.744 -11.506 11.770 1.00 48.51 ? 637 LYS A NZ 1 ATOM 2257 N N . ASN A 1 297 ? -6.627 -4.209 11.035 1.00 41.61 ? 638 ASN A N 1 ATOM 2258 C CA . ASN A 1 297 ? -6.882 -3.007 11.840 1.00 39.44 ? 638 ASN A CA 1 ATOM 2259 C C . ASN A 1 297 ? -6.341 -3.064 13.276 1.00 37.90 ? 638 ASN A C 1 ATOM 2260 O O . ASN A 1 297 ? -7.049 -2.737 14.239 1.00 37.26 ? 638 ASN A O 1 ATOM 2261 C CB . ASN A 1 297 ? -8.378 -2.698 11.865 1.00 39.63 ? 638 ASN A CB 1 ATOM 2262 C CG . ASN A 1 297 ? -8.952 -2.468 10.472 1.00 39.75 ? 638 ASN A CG 1 ATOM 2263 O OD1 . ASN A 1 297 ? -10.030 -2.966 10.149 1.00 39.74 ? 638 ASN A OD1 1 ATOM 2264 N ND2 . ASN A 1 297 ? -8.235 -1.704 9.645 1.00 39.06 ? 638 ASN A ND2 1 ATOM 2265 N N . LEU A 1 298 ? -5.077 -3.458 13.404 1.00 35.94 ? 639 LEU A N 1 ATOM 2266 C CA . LEU A 1 298 ? -4.417 -3.553 14.699 1.00 35.60 ? 639 LEU A CA 1 ATOM 2267 C C . LEU A 1 298 ? -3.928 -2.166 15.149 1.00 35.54 ? 639 LEU A C 1 ATOM 2268 O O . LEU A 1 298 ? -3.175 -1.500 14.447 1.00 36.02 ? 639 LEU A O 1 ATOM 2269 C CB . LEU A 1 298 ? -3.252 -4.556 14.615 1.00 35.21 ? 639 LEU A CB 1 ATOM 2270 C CG . LEU A 1 298 ? -3.700 -5.953 14.142 1.00 35.06 ? 639 LEU A CG 1 ATOM 2271 C CD1 . LEU A 1 298 ? -2.496 -6.887 14.107 1.00 33.31 ? 639 LEU A CD1 1 ATOM 2272 C CD2 . LEU A 1 298 ? -4.780 -6.509 15.071 1.00 34.37 ? 639 LEU A CD2 1 ATOM 2273 N N . LEU A 1 299 ? -4.382 -1.761 16.336 1.00 34.16 ? 640 LEU A N 1 ATOM 2274 C CA . LEU A 1 299 ? -4.086 -0.474 16.977 1.00 32.17 ? 640 LEU A CA 1 ATOM 2275 C C . LEU A 1 299 ? -4.764 0.685 16.253 1.00 33.13 ? 640 LEU A C 1 ATOM 2276 O O . LEU A 1 299 ? -5.275 1.607 16.885 1.00 33.97 ? 640 LEU A O 1 ATOM 2277 C CB . LEU A 1 299 ? -2.579 -0.228 17.085 1.00 29.62 ? 640 LEU A CB 1 ATOM 2278 C CG . LEU A 1 299 ? -1.722 -1.323 17.743 1.00 28.34 ? 640 LEU A CG 1 ATOM 2279 C CD1 . LEU A 1 299 ? -0.268 -0.885 17.619 1.00 26.23 ? 640 LEU A CD1 1 ATOM 2280 C CD2 . LEU A 1 299 ? -2.107 -1.573 19.210 1.00 23.99 ? 640 LEU A CD2 1 ATOM 2281 N N . PHE A 1 300 ? -4.768 0.663 14.926 1.00 32.86 ? 641 PHE A N 1 ATOM 2282 C CA . PHE A 1 300 ? -5.439 1.721 14.181 1.00 31.96 ? 641 PHE A CA 1 ATOM 2283 C C . PHE A 1 300 ? -6.112 1.061 12.996 1.00 31.88 ? 641 PHE A C 1 ATOM 2284 O O . PHE A 1 300 ? -5.813 -0.090 12.661 1.00 32.20 ? 641 PHE A O 1 ATOM 2285 C CB . PHE A 1 300 ? -4.452 2.761 13.667 1.00 30.28 ? 641 PHE A CB 1 ATOM 2286 C CG . PHE A 1 300 ? -3.667 3.454 14.740 1.00 28.89 ? 641 PHE A CG 1 ATOM 2287 C CD1 . PHE A 1 300 ? -4.199 4.548 15.414 1.00 27.13 ? 641 PHE A CD1 1 ATOM 2288 C CD2 . PHE A 1 300 ? -2.412 2.980 15.114 1.00 25.11 ? 641 PHE A CD2 1 ATOM 2289 C CE1 . PHE A 1 300 ? -3.489 5.155 16.456 1.00 25.67 ? 641 PHE A CE1 1 ATOM 2290 C CE2 . PHE A 1 300 ? -1.702 3.576 16.143 1.00 24.14 ? 641 PHE A CE2 1 ATOM 2291 C CZ . PHE A 1 300 ? -2.242 4.670 16.821 1.00 23.09 ? 641 PHE A CZ 1 ATOM 2292 N N . ASN A 1 301 ? -7.068 1.753 12.394 1.00 32.34 ? 642 ASN A N 1 ATOM 2293 C CA . ASN A 1 301 ? -7.713 1.207 11.219 1.00 34.61 ? 642 ASN A CA 1 ATOM 2294 C C . ASN A 1 301 ? -6.657 1.354 10.122 1.00 36.22 ? 642 ASN A C 1 ATOM 2295 O O . ASN A 1 301 ? -5.878 2.334 10.091 1.00 37.47 ? 642 ASN A O 1 ATOM 2296 C CB . ASN A 1 301 ? -8.964 1.998 10.849 1.00 34.54 ? 642 ASN A CB 1 ATOM 2297 C CG . ASN A 1 301 ? -10.122 1.682 11.741 1.00 35.44 ? 642 ASN A CG 1 ATOM 2298 O OD1 . ASN A 1 301 ? -10.341 0.519 12.071 1.00 38.24 ? 642 ASN A OD1 1 ATOM 2299 N ND2 . ASN A 1 301 ? -10.870 2.699 12.146 1.00 32.93 ? 642 ASN A ND2 1 ATOM 2300 N N . ASP A 1 302 ? -6.627 0.384 9.221 1.00 37.05 ? 643 ASP A N 1 ATOM 2301 C CA . ASP A 1 302 ? -5.666 0.394 8.140 1.00 38.30 ? 643 ASP A CA 1 ATOM 2302 C C . ASP A 1 302 ? -5.892 1.509 7.133 1.00 38.03 ? 643 ASP A C 1 ATOM 2303 O O . ASP A 1 302 ? -4.946 1.935 6.473 1.00 39.28 ? 643 ASP A O 1 ATOM 2304 C CB . ASP A 1 302 ? -5.656 -0.964 7.450 1.00 38.56 ? 643 ASP A CB 1 ATOM 2305 C CG . ASP A 1 302 ? -5.154 -2.063 8.352 1.00 40.74 ? 643 ASP A CG 1 ATOM 2306 O OD1 . ASP A 1 302 ? -4.286 -1.777 9.206 1.00 42.42 ? 643 ASP A OD1 1 ATOM 2307 O OD2 . ASP A 1 302 ? -5.607 -3.215 8.200 1.00 43.20 ? 643 ASP A OD2 1 ATOM 2308 N N . ASN A 1 303 ? -7.119 2.010 7.035 1.00 37.72 ? 644 ASN A N 1 ATOM 2309 C CA . ASN A 1 303 ? -7.396 3.086 6.086 1.00 38.67 ? 644 ASN A CA 1 ATOM 2310 C C . ASN A 1 303 ? -7.097 4.480 6.626 1.00 39.37 ? 644 ASN A C 1 ATOM 2311 O O . ASN A 1 303 ? -7.461 5.482 6.013 1.00 40.84 ? 644 ASN A O 1 ATOM 2312 C CB . ASN A 1 303 ? -8.846 3.031 5.557 1.00 38.64 ? 644 ASN A CB 1 ATOM 2313 C CG . ASN A 1 303 ? -9.902 3.366 6.614 1.00 39.31 ? 644 ASN A CG 1 ATOM 2314 O OD1 . ASN A 1 303 ? -9.601 3.829 7.713 1.00 41.60 ? 644 ASN A OD1 1 ATOM 2315 N ND2 . ASN A 1 303 ? -11.162 3.133 6.262 1.00 40.08 ? 644 ASN A ND2 1 ATOM 2316 N N . THR A 1 304 ? -6.408 4.537 7.761 1.00 39.80 ? 645 THR A N 1 ATOM 2317 C CA . THR A 1 304 ? -6.041 5.798 8.400 1.00 40.03 ? 645 THR A CA 1 ATOM 2318 C C . THR A 1 304 ? -4.877 6.476 7.666 1.00 41.00 ? 645 THR A C 1 ATOM 2319 O O . THR A 1 304 ? -3.779 5.922 7.581 1.00 40.85 ? 645 THR A O 1 ATOM 2320 C CB . THR A 1 304 ? -5.636 5.560 9.884 1.00 38.84 ? 645 THR A CB 1 ATOM 2321 O OG1 . THR A 1 304 ? -6.747 5.021 10.606 1.00 38.23 ? 645 THR A OG1 1 ATOM 2322 C CG2 . THR A 1 304 ? -5.214 6.859 10.557 1.00 37.72 ? 645 THR A CG2 1 ATOM 2323 N N . GLU A 1 305 ? -5.130 7.663 7.119 1.00 42.85 ? 646 GLU A N 1 ATOM 2324 C CA . GLU A 1 305 ? -4.091 8.406 6.414 1.00 44.97 ? 646 GLU A CA 1 ATOM 2325 C C . GLU A 1 305 ? -3.214 9.052 7.478 1.00 44.47 ? 646 GLU A C 1 ATOM 2326 O O . GLU A 1 305 ? -1.998 9.135 7.326 1.00 44.65 ? 646 GLU A O 1 ATOM 2327 C CB . GLU A 1 305 ? -4.700 9.492 5.515 1.00 46.77 ? 646 GLU A CB 1 ATOM 2328 C CG . GLU A 1 305 ? -3.666 10.474 4.948 1.00 48.95 ? 646 GLU A CG 1 ATOM 2329 C CD . GLU A 1 305 ? -4.310 11.713 4.330 1.00 52.10 ? 646 GLU A CD 1 ATOM 2330 O OE1 . GLU A 1 305 ? -5.559 11.823 4.382 1.00 51.99 ? 646 GLU A OE1 1 ATOM 2331 O OE2 . GLU A 1 305 ? -3.570 12.572 3.792 1.00 50.94 ? 646 GLU A OE2 1 ATOM 2332 N N . CYS A 1 306 ? -3.833 9.531 8.554 1.00 44.31 ? 647 CYS A N 1 ATOM 2333 C CA . CYS A 1 306 ? -3.071 10.144 9.644 1.00 43.83 ? 647 CYS A CA 1 ATOM 2334 C C . CYS A 1 306 ? -3.942 10.320 10.878 1.00 42.07 ? 647 CYS A C 1 ATOM 2335 O O . CYS A 1 306 ? -5.148 10.038 10.853 1.00 41.61 ? 647 CYS A O 1 ATOM 2336 C CB . CYS A 1 306 ? -2.522 11.525 9.252 1.00 45.49 ? 647 CYS A CB 1 ATOM 2337 S SG . CYS A 1 306 ? -3.757 12.875 9.431 1.00 47.20 ? 647 CYS A SG 1 ATOM 2338 N N . LEU A 1 307 ? -3.300 10.746 11.966 1.00 40.64 ? 648 LEU A N 1 ATOM 2339 C CA . LEU A 1 307 ? -3.955 11.038 13.238 1.00 40.32 ? 648 LEU A CA 1 ATOM 2340 C C . LEU A 1 307 ? -3.954 12.577 13.229 1.00 41.83 ? 648 LEU A C 1 ATOM 2341 O O . LEU A 1 307 ? -2.907 13.231 13.115 1.00 42.95 ? 648 LEU A O 1 ATOM 2342 C CB . LEU A 1 307 ? -3.134 10.498 14.433 1.00 39.19 ? 648 LEU A CB 1 ATOM 2343 C CG . LEU A 1 307 ? -3.137 8.978 14.624 1.00 38.49 ? 648 LEU A CG 1 ATOM 2344 C CD1 . LEU A 1 307 ? -2.147 8.634 15.729 1.00 35.90 ? 648 LEU A CD1 1 ATOM 2345 C CD2 . LEU A 1 307 ? -4.542 8.483 14.983 1.00 36.99 ? 648 LEU A CD2 1 ATOM 2346 N N . ALA A 1 308 ? -5.134 13.163 13.358 1.00 42.24 ? 649 ALA A N 1 ATOM 2347 C CA . ALA A 1 308 ? -5.316 14.607 13.281 1.00 42.36 ? 649 ALA A CA 1 ATOM 2348 C C . ALA A 1 308 ? -5.615 15.363 14.563 1.00 42.91 ? 649 ALA A C 1 ATOM 2349 O O . ALA A 1 308 ? -6.199 14.799 15.484 1.00 43.38 ? 649 ALA A O 1 ATOM 2350 C CB . ALA A 1 308 ? -6.407 14.890 12.255 1.00 42.02 ? 649 ALA A CB 1 ATOM 2351 N N . LYS A 1 309 ? -5.234 16.644 14.593 1.00 44.19 ? 650 LYS A N 1 ATOM 2352 C CA . LYS A 1 309 ? -5.480 17.493 15.750 1.00 44.42 ? 650 LYS A CA 1 ATOM 2353 C C . LYS A 1 309 ? -6.987 17.666 15.756 1.00 44.64 ? 650 LYS A C 1 ATOM 2354 O O . LYS A 1 309 ? -7.629 17.649 14.697 1.00 44.38 ? 650 LYS A O 1 ATOM 2355 C CB . LYS A 1 309 ? -4.731 18.839 15.623 1.00 44.44 ? 650 LYS A CB 1 ATOM 2356 C CG . LYS A 1 309 ? -3.198 18.671 15.675 1.00 45.75 ? 650 LYS A CG 1 ATOM 2357 C CD . LYS A 1 309 ? -2.459 20.008 15.766 1.00 47.16 ? 650 LYS A CD 1 ATOM 2358 C CE . LYS A 1 309 ? -0.958 19.865 15.467 1.00 49.31 ? 650 LYS A CE 1 ATOM 2359 N NZ . LYS A 1 309 ? -0.157 21.100 15.789 1.00 51.65 ? 650 LYS A NZ 1 ATOM 2360 N N . LEU A 1 310 ? -7.553 17.842 16.945 1.00 44.86 ? 651 LEU A N 1 ATOM 2361 C CA . LEU A 1 310 ? -8.989 17.929 17.099 1.00 44.86 ? 651 LEU A CA 1 ATOM 2362 C C . LEU A 1 310 ? -9.744 19.232 16.912 1.00 45.47 ? 651 LEU A C 1 ATOM 2363 O O . LEU A 1 310 ? -10.811 19.229 16.307 1.00 47.64 ? 651 LEU A O 1 ATOM 2364 C CB . LEU A 1 310 ? -9.360 17.258 18.426 1.00 44.32 ? 651 LEU A CB 1 ATOM 2365 C CG . LEU A 1 310 ? -9.045 15.744 18.447 1.00 43.20 ? 651 LEU A CG 1 ATOM 2366 C CD1 . LEU A 1 310 ? -9.256 15.160 19.835 1.00 43.41 ? 651 LEU A CD1 1 ATOM 2367 C CD2 . LEU A 1 310 ? -9.935 15.028 17.445 1.00 42.29 ? 651 LEU A CD2 1 ATOM 2368 N N . GLY A 1 311 ? -9.221 20.337 17.409 1.00 44.63 ? 652 GLY A N 1 ATOM 2369 C CA . GLY A 1 311 ? -9.949 21.577 17.233 1.00 44.63 ? 652 GLY A CA 1 ATOM 2370 C C . GLY A 1 311 ? -11.124 21.743 18.183 1.00 44.86 ? 652 GLY A C 1 ATOM 2371 O O . GLY A 1 311 ? -12.101 20.995 18.140 1.00 45.07 ? 652 GLY A O 1 ATOM 2372 N N . GLY A 1 312 ? -11.011 22.759 19.036 1.00 43.57 ? 653 GLY A N 1 ATOM 2373 C CA . GLY A 1 312 ? -12.019 23.070 20.032 1.00 41.57 ? 653 GLY A CA 1 ATOM 2374 C C . GLY A 1 312 ? -11.637 22.329 21.316 1.00 40.81 ? 653 GLY A C 1 ATOM 2375 O O . GLY A 1 312 ? -12.444 22.306 22.259 1.00 40.27 ? 653 GLY A O 1 ATOM 2376 N N . ARG A 1 313 ? -10.410 21.786 21.365 1.00 39.84 ? 654 ARG A N 1 ATOM 2377 C CA . ARG A 1 313 ? -9.920 21.051 22.491 1.00 40.36 ? 654 ARG A CA 1 ATOM 2378 C C . ARG A 1 313 ? -11.180 20.466 23.061 1.00 38.89 ? 654 ARG A C 1 ATOM 2379 O O . ARG A 1 313 ? -11.606 20.734 24.205 1.00 39.73 ? 654 ARG A O 1 ATOM 2380 C CB . ARG A 1 313 ? -9.135 21.927 23.495 1.00 42.88 ? 654 ARG A CB 1 ATOM 2381 C CG . ARG A 1 313 ? -7.763 22.302 22.964 1.00 46.91 ? 654 ARG A CG 1 ATOM 2382 C CD . ARG A 1 313 ? -6.760 22.428 24.095 1.00 51.92 ? 654 ARG A CD 1 ATOM 2383 N NE . ARG A 1 313 ? -5.421 22.748 23.610 1.00 57.95 ? 654 ARG A NE 1 ATOM 2384 C CZ . ARG A 1 313 ? -4.517 21.853 23.223 1.00 60.73 ? 654 ARG A CZ 1 ATOM 2385 N NH1 . ARG A 1 313 ? -4.789 20.557 23.276 1.00 61.54 ? 654 ARG A NH1 1 ATOM 2386 N NH2 . ARG A 1 313 ? -3.347 22.265 22.753 1.00 62.07 ? 654 ARG A NH2 1 ATOM 2387 N N . PRO A 1 314 ? -11.808 19.570 22.275 1.00 36.79 ? 655 PRO A N 1 ATOM 2388 C CA . PRO A 1 314 ? -13.080 19.033 22.751 1.00 35.21 ? 655 PRO A CA 1 ATOM 2389 C C . PRO A 1 314 ? -13.199 18.005 23.860 1.00 34.79 ? 655 PRO A C 1 ATOM 2390 O O . PRO A 1 314 ? -12.360 17.146 24.050 1.00 34.32 ? 655 PRO A O 1 ATOM 2391 C CB . PRO A 1 314 ? -13.700 18.531 21.491 1.00 33.82 ? 655 PRO A CB 1 ATOM 2392 C CG . PRO A 1 314 ? -12.518 17.888 20.763 1.00 34.77 ? 655 PRO A CG 1 ATOM 2393 C CD . PRO A 1 314 ? -11.263 18.682 21.247 1.00 35.64 ? 655 PRO A CD 1 ATOM 2394 N N . THR A 1 315 ? -14.289 18.115 24.617 1.00 33.78 ? 656 THR A N 1 ATOM 2395 C CA . THR A 1 315 ? -14.511 17.149 25.660 1.00 33.62 ? 656 THR A CA 1 ATOM 2396 C C . THR A 1 315 ? -14.881 15.892 24.891 1.00 34.04 ? 656 THR A C 1 ATOM 2397 O O . THR A 1 315 ? -15.059 15.923 23.667 1.00 33.99 ? 656 THR A O 1 ATOM 2398 C CB . THR A 1 315 ? -15.643 17.546 26.635 1.00 33.26 ? 656 THR A CB 1 ATOM 2399 O OG1 . THR A 1 315 ? -16.870 17.729 25.922 1.00 34.24 ? 656 THR A OG1 1 ATOM 2400 C CG2 . THR A 1 315 ? -15.275 18.827 27.363 1.00 32.55 ? 656 THR A CG2 1 ATOM 2401 N N . TYR A 1 316 ? -14.997 14.779 25.588 1.00 34.32 ? 657 TYR A N 1 ATOM 2402 C CA . TYR A 1 316 ? -15.316 13.544 24.909 1.00 35.04 ? 657 TYR A CA 1 ATOM 2403 C C . TYR A 1 316 ? -16.774 13.571 24.439 1.00 35.40 ? 657 TYR A C 1 ATOM 2404 O O . TYR A 1 316 ? -17.099 12.975 23.415 1.00 34.61 ? 657 TYR A O 1 ATOM 2405 C CB . TYR A 1 316 ? -15.011 12.371 25.843 1.00 34.08 ? 657 TYR A CB 1 ATOM 2406 C CG . TYR A 1 316 ? -16.104 12.042 26.801 1.00 33.18 ? 657 TYR A CG 1 ATOM 2407 C CD1 . TYR A 1 316 ? -17.108 11.160 26.428 1.00 33.12 ? 657 TYR A CD1 1 ATOM 2408 C CD2 . TYR A 1 316 ? -16.196 12.682 28.036 1.00 33.87 ? 657 TYR A CD2 1 ATOM 2409 C CE1 . TYR A 1 316 ? -18.156 10.877 27.269 1.00 32.92 ? 657 TYR A CE1 1 ATOM 2410 C CE2 . TYR A 1 316 ? -17.248 12.408 28.895 1.00 33.96 ? 657 TYR A CE2 1 ATOM 2411 C CZ . TYR A 1 316 ? -18.241 11.518 28.491 1.00 33.97 ? 657 TYR A CZ 1 ATOM 2412 O OH . TYR A 1 316 ? -19.295 11.227 29.323 1.00 35.63 ? 657 TYR A OH 1 ATOM 2413 N N . GLU A 1 317 ? -17.630 14.297 25.167 1.00 36.68 ? 658 GLU A N 1 ATOM 2414 C CA . GLU A 1 317 ? -19.045 14.424 24.801 1.00 37.92 ? 658 GLU A CA 1 ATOM 2415 C C . GLU A 1 317 ? -19.158 15.302 23.550 1.00 37.23 ? 658 GLU A C 1 ATOM 2416 O O . GLU A 1 317 ? -20.010 15.071 22.692 1.00 37.90 ? 658 GLU A O 1 ATOM 2417 C CB . GLU A 1 317 ? -19.875 15.025 25.960 1.00 40.33 ? 658 GLU A CB 1 ATOM 2418 C CG . GLU A 1 317 ? -20.383 13.976 26.965 1.00 43.72 ? 658 GLU A CG 1 ATOM 2419 C CD . GLU A 1 317 ? -21.236 14.557 28.102 1.00 48.67 ? 658 GLU A CD 1 ATOM 2420 O OE1 . GLU A 1 317 ? -20.921 15.674 28.576 1.00 49.35 ? 658 GLU A OE1 1 ATOM 2421 O OE2 . GLU A 1 317 ? -22.208 13.890 28.541 1.00 48.62 ? 658 GLU A OE2 1 ATOM 2422 N N . GLU A 1 318 ? -18.301 16.311 23.443 1.00 36.65 ? 659 GLU A N 1 ATOM 2423 C CA . GLU A 1 318 ? -18.308 17.184 22.272 1.00 37.38 ? 659 GLU A CA 1 ATOM 2424 C C . GLU A 1 318 ? -17.715 16.434 21.082 1.00 37.76 ? 659 GLU A C 1 ATOM 2425 O O . GLU A 1 318 ? -18.161 16.625 19.948 1.00 38.55 ? 659 GLU A O 1 ATOM 2426 C CB . GLU A 1 318 ? -17.469 18.442 22.499 1.00 37.82 ? 659 GLU A CB 1 ATOM 2427 C CG . GLU A 1 318 ? -18.076 19.452 23.428 1.00 36.21 ? 659 GLU A CG 1 ATOM 2428 C CD . GLU A 1 318 ? -17.128 20.582 23.728 1.00 37.24 ? 659 GLU A CD 1 ATOM 2429 O OE1 . GLU A 1 318 ? -15.972 20.296 24.100 1.00 36.55 ? 659 GLU A OE1 1 ATOM 2430 O OE2 . GLU A 1 318 ? -17.538 21.756 23.599 1.00 40.07 ? 659 GLU A OE2 1 ATOM 2431 N N . TYR A 1 319 ? -16.702 15.598 21.325 1.00 36.82 ? 660 TYR A N 1 ATOM 2432 C CA . TYR A 1 319 ? -16.076 14.843 20.238 1.00 35.61 ? 660 TYR A CA 1 ATOM 2433 C C . TYR A 1 319 ? -17.039 13.795 19.676 1.00 35.77 ? 660 TYR A C 1 ATOM 2434 O O . TYR A 1 319 ? -17.108 13.599 18.468 1.00 34.84 ? 660 TYR A O 1 ATOM 2435 C CB . TYR A 1 319 ? -14.800 14.146 20.700 1.00 33.89 ? 660 TYR A CB 1 ATOM 2436 C CG . TYR A 1 319 ? -14.185 13.338 19.599 1.00 32.52 ? 660 TYR A CG 1 ATOM 2437 C CD1 . TYR A 1 319 ? -13.396 13.943 18.620 1.00 31.91 ? 660 TYR A CD1 1 ATOM 2438 C CD2 . TYR A 1 319 ? -14.517 11.998 19.449 1.00 30.92 ? 660 TYR A CD2 1 ATOM 2439 C CE1 . TYR A 1 319 ? -12.912 13.216 17.559 1.00 31.65 ? 660 TYR A CE1 1 ATOM 2440 C CE2 . TYR A 1 319 ? -14.040 11.263 18.390 1.00 30.17 ? 660 TYR A CE2 1 ATOM 2441 C CZ . TYR A 1 319 ? -13.265 11.884 17.435 1.00 30.85 ? 660 TYR A CZ 1 ATOM 2442 O OH . TYR A 1 319 ? -12.781 11.155 16.385 1.00 32.06 ? 660 TYR A OH 1 ATOM 2443 N N . LEU A 1 320 ? -17.782 13.127 20.553 1.00 36.53 ? 661 LEU A N 1 ATOM 2444 C CA . LEU A 1 320 ? -18.756 12.117 20.128 1.00 37.49 ? 661 LEU A CA 1 ATOM 2445 C C . LEU A 1 320 ? -20.014 12.803 19.547 1.00 38.71 ? 661 LEU A C 1 ATOM 2446 O O . LEU A 1 320 ? -20.725 12.219 18.727 1.00 39.27 ? 661 LEU A O 1 ATOM 2447 C CB . LEU A 1 320 ? -19.149 11.222 21.313 1.00 35.45 ? 661 LEU A CB 1 ATOM 2448 C CG . LEU A 1 320 ? -18.021 10.366 21.897 1.00 35.24 ? 661 LEU A CG 1 ATOM 2449 C CD1 . LEU A 1 320 ? -18.576 9.545 23.056 1.00 36.30 ? 661 LEU A CD1 1 ATOM 2450 C CD2 . LEU A 1 320 ? -17.433 9.450 20.814 1.00 34.77 ? 661 LEU A CD2 1 ATOM 2451 N N . GLY A 1 321 ? -20.290 14.041 19.955 1.00 38.97 ? 662 GLY A N 1 ATOM 2452 C CA . GLY A 1 321 ? -21.468 14.721 19.445 1.00 39.98 ? 662 GLY A CA 1 ATOM 2453 C C . GLY A 1 321 ? -22.675 14.347 20.284 1.00 41.65 ? 662 GLY A C 1 ATOM 2454 O O . GLY A 1 321 ? -22.808 13.180 20.676 1.00 41.69 ? 662 GLY A O 1 ATOM 2455 N N . THR A 1 322 ? -23.557 15.317 20.535 1.00 43.24 ? 663 THR A N 1 ATOM 2456 C CA . THR A 1 322 ? -24.756 15.119 21.350 1.00 45.08 ? 663 THR A CA 1 ATOM 2457 C C . THR A 1 322 ? -25.690 14.038 20.840 1.00 45.12 ? 663 THR A C 1 ATOM 2458 O O . THR A 1 322 ? -26.261 13.283 21.628 1.00 46.07 ? 663 THR A O 1 ATOM 2459 C CB . THR A 1 322 ? -25.555 16.450 21.511 1.00 45.69 ? 663 THR A CB 1 ATOM 2460 O OG1 . THR A 1 322 ? -24.733 17.557 21.111 1.00 47.57 ? 663 THR A OG1 1 ATOM 2461 C CG2 . THR A 1 322 ? -25.939 16.650 22.977 1.00 44.80 ? 663 THR A CG2 1 ATOM 2462 N N . GLU A 1 323 ? -25.850 13.971 19.525 1.00 45.93 ? 664 GLU A N 1 ATOM 2463 C CA . GLU A 1 323 ? -26.707 12.962 18.920 1.00 47.31 ? 664 GLU A CA 1 ATOM 2464 C C . GLU A 1 323 ? -26.185 11.585 19.350 1.00 45.58 ? 664 GLU A C 1 ATOM 2465 O O . GLU A 1 323 ? -26.921 10.784 19.923 1.00 45.83 ? 664 GLU A O 1 ATOM 2466 C CB . GLU A 1 323 ? -26.671 13.067 17.383 1.00 51.41 ? 664 GLU A CB 1 ATOM 2467 C CG . GLU A 1 323 ? -27.993 13.504 16.710 1.00 57.22 ? 664 GLU A CG 1 ATOM 2468 C CD . GLU A 1 323 ? -28.695 12.384 15.943 1.00 60.25 ? 664 GLU A CD 1 ATOM 2469 O OE1 . GLU A 1 323 ? -28.700 12.420 14.692 1.00 61.65 ? 664 GLU A OE1 1 ATOM 2470 O OE2 . GLU A 1 323 ? -29.242 11.469 16.594 1.00 63.36 ? 664 GLU A OE2 1 ATOM 2471 N N . TYR A 1 324 ? -24.906 11.309 19.107 1.00 43.77 ? 665 TYR A N 1 ATOM 2472 C CA . TYR A 1 324 ? -24.367 9.997 19.450 1.00 41.90 ? 665 TYR A CA 1 ATOM 2473 C C . TYR A 1 324 ? -24.395 9.670 20.946 1.00 42.11 ? 665 TYR A C 1 ATOM 2474 O O . TYR A 1 324 ? -24.732 8.549 21.332 1.00 41.24 ? 665 TYR A O 1 ATOM 2475 C CB . TYR A 1 324 ? -22.954 9.828 18.875 1.00 39.22 ? 665 TYR A CB 1 ATOM 2476 C CG . TYR A 1 324 ? -22.378 8.429 19.062 1.00 37.00 ? 665 TYR A CG 1 ATOM 2477 C CD1 . TYR A 1 324 ? -23.175 7.295 18.895 1.00 35.24 ? 665 TYR A CD1 1 ATOM 2478 C CD2 . TYR A 1 324 ? -21.032 8.239 19.374 1.00 36.28 ? 665 TYR A CD2 1 ATOM 2479 C CE1 . TYR A 1 324 ? -22.664 6.016 19.094 1.00 34.94 ? 665 TYR A CE1 1 ATOM 2480 C CE2 . TYR A 1 324 ? -20.510 6.957 19.572 1.00 35.05 ? 665 TYR A CE2 1 ATOM 2481 C CZ . TYR A 1 324 ? -21.324 5.850 19.409 1.00 34.00 ? 665 TYR A CZ 1 ATOM 2482 O OH . TYR A 1 324 ? -20.822 4.583 19.634 1.00 31.62 ? 665 TYR A OH 1 ATOM 2483 N N . VAL A 1 325 ? -24.071 10.651 21.782 1.00 43.30 ? 666 VAL A N 1 ATOM 2484 C CA . VAL A 1 325 ? -24.053 10.466 23.228 1.00 44.78 ? 666 VAL A CA 1 ATOM 2485 C C . VAL A 1 325 ? -25.433 10.150 23.825 1.00 45.91 ? 666 VAL A C 1 ATOM 2486 O O . VAL A 1 325 ? -25.532 9.430 24.818 1.00 47.08 ? 666 VAL A O 1 ATOM 2487 C CB . VAL A 1 325 ? -23.426 11.716 23.920 1.00 44.50 ? 666 VAL A CB 1 ATOM 2488 C CG1 . VAL A 1 325 ? -23.644 11.668 25.429 1.00 43.85 ? 666 VAL A CG1 1 ATOM 2489 C CG2 . VAL A 1 325 ? -21.921 11.762 23.615 1.00 44.30 ? 666 VAL A CG2 1 ATOM 2490 N N . THR A 1 326 ? -26.493 10.689 23.229 1.00 47.03 ? 667 THR A N 1 ATOM 2491 C CA . THR A 1 326 ? -27.845 10.434 23.723 1.00 47.83 ? 667 THR A CA 1 ATOM 2492 C C . THR A 1 326 ? -28.215 8.998 23.408 1.00 47.55 ? 667 THR A C 1 ATOM 2493 O O . THR A 1 326 ? -28.797 8.295 24.232 1.00 49.10 ? 667 THR A O 1 ATOM 2494 C CB . THR A 1 326 ? -28.882 11.354 23.058 1.00 48.35 ? 667 THR A CB 1 ATOM 2495 O OG1 . THR A 1 326 ? -28.854 11.162 21.634 1.00 49.98 ? 667 THR A OG1 1 ATOM 2496 C CG2 . THR A 1 326 ? -28.595 12.806 23.393 1.00 47.77 ? 667 THR A CG2 1 ATOM 2497 N N . ALA A 1 327 ? -27.868 8.560 22.206 1.00 46.90 ? 668 ALA A N 1 ATOM 2498 C CA . ALA A 1 327 ? -28.164 7.203 21.785 1.00 46.16 ? 668 ALA A CA 1 ATOM 2499 C C . ALA A 1 327 ? -27.550 6.177 22.757 1.00 45.73 ? 668 ALA A C 1 ATOM 2500 O O . ALA A 1 327 ? -28.245 5.273 23.214 1.00 45.85 ? 668 ALA A O 1 ATOM 2501 C CB . ALA A 1 327 ? -27.652 6.980 20.346 1.00 46.26 ? 668 ALA A CB 1 ATOM 2502 N N . ILE A 1 328 ? -26.265 6.327 23.087 1.00 45.13 ? 669 ILE A N 1 ATOM 2503 C CA . ILE A 1 328 ? -25.582 5.401 23.997 1.00 44.99 ? 669 ILE A CA 1 ATOM 2504 C C . ILE A 1 328 ? -26.189 5.343 25.421 1.00 46.21 ? 669 ILE A C 1 ATOM 2505 O O . ILE A 1 328 ? -26.277 4.261 26.009 1.00 45.85 ? 669 ILE A O 1 ATOM 2506 C CB . ILE A 1 328 ? -24.070 5.746 24.094 1.00 44.32 ? 669 ILE A CB 1 ATOM 2507 C CG1 . ILE A 1 328 ? -23.430 5.677 22.702 1.00 44.10 ? 669 ILE A CG1 1 ATOM 2508 C CG2 . ILE A 1 328 ? -23.371 4.784 25.043 1.00 43.61 ? 669 ILE A CG2 1 ATOM 2509 C CD1 . ILE A 1 328 ? -22.086 6.384 22.608 1.00 42.20 ? 669 ILE A CD1 1 ATOM 2510 N N . ALA A 1 329 ? -26.598 6.480 25.986 1.00 48.00 ? 670 ALA A N 1 ATOM 2511 C CA . ALA A 1 329 ? -27.183 6.471 27.328 1.00 49.13 ? 670 ALA A CA 1 ATOM 2512 C C . ALA A 1 329 ? -28.545 5.778 27.213 1.00 50.01 ? 670 ALA A C 1 ATOM 2513 O O . ALA A 1 329 ? -28.827 4.836 27.954 1.00 50.48 ? 670 ALA A O 1 ATOM 2514 C CB . ALA A 1 329 ? -27.341 7.902 27.858 1.00 49.24 ? 670 ALA A CB 1 ATOM 2515 N N . ASN A 1 330 ? -29.382 6.240 26.277 1.00 51.24 ? 671 ASN A N 1 ATOM 2516 C CA . ASN A 1 330 ? -30.699 5.646 26.035 1.00 52.79 ? 671 ASN A CA 1 ATOM 2517 C C . ASN A 1 330 ? -30.545 4.119 25.837 1.00 53.17 ? 671 ASN A C 1 ATOM 2518 O O . ASN A 1 330 ? -31.379 3.352 26.314 1.00 53.41 ? 671 ASN A O 1 ATOM 2519 C CB . ASN A 1 330 ? -31.352 6.258 24.780 1.00 53.62 ? 671 ASN A CB 1 ATOM 2520 C CG . ASN A 1 330 ? -32.189 7.491 25.084 1.00 54.54 ? 671 ASN A CG 1 ATOM 2521 O OD1 . ASN A 1 330 ? -32.689 7.643 26.197 1.00 55.30 ? 671 ASN A OD1 1 ATOM 2522 N ND2 . ASN A 1 330 ? -32.366 8.363 24.091 1.00 53.99 ? 671 ASN A ND2 1 ATOM 2523 N N . LEU A 1 331 ? -29.496 3.668 25.132 1.00 53.20 ? 672 LEU A N 1 ATOM 2524 C CA . LEU A 1 331 ? -29.287 2.220 24.914 1.00 53.36 ? 672 LEU A CA 1 ATOM 2525 C C . LEU A 1 331 ? -28.842 1.544 26.223 1.00 54.59 ? 672 LEU A C 1 ATOM 2526 O O . LEU A 1 331 ? -29.359 0.477 26.569 1.00 54.38 ? 672 LEU A O 1 ATOM 2527 C CB . LEU A 1 331 ? -28.245 1.943 23.801 1.00 51.90 ? 672 LEU A CB 1 ATOM 2528 C CG . LEU A 1 331 ? -27.737 0.493 23.551 1.00 50.96 ? 672 LEU A CG 1 ATOM 2529 C CD1 . LEU A 1 331 ? -28.900 -0.421 23.190 1.00 51.08 ? 672 LEU A CD1 1 ATOM 2530 C CD2 . LEU A 1 331 ? -26.703 0.469 22.420 1.00 51.22 ? 672 LEU A CD2 1 ATOM 2531 N N . LYS A 1 332 ? -27.912 2.167 26.955 1.00 56.12 ? 673 LYS A N 1 ATOM 2532 C CA . LYS A 1 332 ? -27.414 1.594 28.210 1.00 57.44 ? 673 LYS A CA 1 ATOM 2533 C C . LYS A 1 332 ? -28.441 1.613 29.350 1.00 58.35 ? 673 LYS A C 1 ATOM 2534 O O . LYS A 1 332 ? -28.206 1.035 30.417 1.00 58.41 ? 673 LYS A O 1 ATOM 2535 C CB . LYS A 1 332 ? -26.079 2.270 28.626 1.00 57.22 ? 673 LYS A CB 1 ATOM 2536 C CG . LYS A 1 332 ? -24.952 2.114 27.559 1.00 58.14 ? 673 LYS A CG 1 ATOM 2537 C CD . LYS A 1 332 ? -23.517 2.055 28.130 1.00 59.49 ? 673 LYS A CD 1 ATOM 2538 C CE . LYS A 1 332 ? -22.476 1.955 26.995 1.00 59.95 ? 673 LYS A CE 1 ATOM 2539 N NZ . LYS A 1 332 ? -21.102 1.529 27.407 1.00 60.68 ? 673 LYS A NZ 1 ATOM 2540 N N . LYS A 1 333 ? -29.587 2.252 29.114 1.00 59.42 ? 674 LYS A N 1 ATOM 2541 C CA . LYS A 1 333 ? -30.649 2.288 30.119 1.00 60.60 ? 674 LYS A CA 1 ATOM 2542 C C . LYS A 1 333 ? -31.210 0.863 30.235 1.00 60.89 ? 674 LYS A C 1 ATOM 2543 O O . LYS A 1 333 ? -31.865 0.506 31.217 1.00 60.97 ? 674 LYS A O 1 ATOM 2544 C CB . LYS A 1 333 ? -31.764 3.258 29.709 1.00 60.87 ? 674 LYS A CB 1 ATOM 2545 C CG . LYS A 1 333 ? -31.495 4.690 30.130 1.00 61.45 ? 674 LYS A CG 1 ATOM 2546 C CD . LYS A 1 333 ? -32.601 5.626 29.683 1.00 64.14 ? 674 LYS A CD 1 ATOM 2547 C CE . LYS A 1 333 ? -32.125 7.072 29.644 1.00 64.85 ? 674 LYS A CE 1 ATOM 2548 N NZ . LYS A 1 333 ? -33.116 7.966 28.982 1.00 66.20 ? 674 LYS A NZ 1 ATOM 2549 N N . CYS A 1 334 ? -30.924 0.053 29.219 1.00 61.23 ? 675 CYS A N 1 ATOM 2550 C CA . CYS A 1 334 ? -31.357 -1.340 29.144 1.00 61.93 ? 675 CYS A CA 1 ATOM 2551 C C . CYS A 1 334 ? -30.444 -2.328 29.875 1.00 62.96 ? 675 CYS A C 1 ATOM 2552 O O . CYS A 1 334 ? -30.759 -3.515 29.952 1.00 64.16 ? 675 CYS A O 1 ATOM 2553 C CB . CYS A 1 334 ? -31.408 -1.777 27.692 1.00 61.43 ? 675 CYS A CB 1 ATOM 2554 S SG . CYS A 1 334 ? -32.741 -1.102 26.651 1.00 62.52 ? 675 CYS A SG 1 ATOM 2555 N N . SER A 1 335 ? -29.308 -1.865 30.388 1.00 63.63 ? 676 SER A N 1 ATOM 2556 C CA . SER A 1 335 ? -28.383 -2.765 31.081 1.00 64.33 ? 676 SER A CA 1 ATOM 2557 C C . SER A 1 335 ? -28.482 -2.706 32.599 1.00 64.59 ? 676 SER A C 1 ATOM 2558 O O . SER A 1 335 ? -29.502 -3.079 33.173 1.00 64.96 ? 676 SER A O 1 ATOM 2559 C CB . SER A 1 335 ? -26.940 -2.491 30.641 1.00 64.65 ? 676 SER A CB 1 ATOM 2560 O OG . SER A 1 335 ? -26.530 -3.385 29.612 1.00 65.61 ? 676 SER A OG 1 ATOM 2561 N N . LEU A 1 340 ? -27.205 6.639 36.758 1.00 81.00 ? 681 LEU A N 1 ATOM 2562 C CA . LEU A 1 340 ? -27.459 7.326 35.498 1.00 81.41 ? 681 LEU A CA 1 ATOM 2563 C C . LEU A 1 340 ? -26.143 7.869 34.887 1.00 81.19 ? 681 LEU A C 1 ATOM 2564 O O . LEU A 1 340 ? -25.999 7.900 33.662 1.00 81.14 ? 681 LEU A O 1 ATOM 2565 C CB . LEU A 1 340 ? -28.515 8.431 35.724 1.00 81.83 ? 681 LEU A CB 1 ATOM 2566 C CG . LEU A 1 340 ? -29.497 8.795 34.591 1.00 81.98 ? 681 LEU A CG 1 ATOM 2567 C CD1 . LEU A 1 340 ? -29.961 7.543 33.839 1.00 82.19 ? 681 LEU A CD1 1 ATOM 2568 C CD2 . LEU A 1 340 ? -30.698 9.528 35.198 1.00 81.79 ? 681 LEU A CD2 1 ATOM 2569 N N . GLU A 1 341 ? -25.197 8.294 35.732 1.00 80.53 ? 682 GLU A N 1 ATOM 2570 C CA . GLU A 1 341 ? -23.877 8.763 35.268 1.00 79.97 ? 682 GLU A CA 1 ATOM 2571 C C . GLU A 1 341 ? -22.763 8.370 36.264 1.00 79.17 ? 682 GLU A C 1 ATOM 2572 O O . GLU A 1 341 ? -22.928 8.515 37.479 1.00 79.63 ? 682 GLU A O 1 ATOM 2573 C CB . GLU A 1 341 ? -23.853 10.290 35.016 1.00 80.50 ? 682 GLU A CB 1 ATOM 2574 C CG . GLU A 1 341 ? -24.115 11.196 36.214 1.00 81.11 ? 682 GLU A CG 1 ATOM 2575 C CD . GLU A 1 341 ? -22.861 11.859 36.777 1.00 82.20 ? 682 GLU A CD 1 ATOM 2576 O OE1 . GLU A 1 341 ? -21.988 11.140 37.306 1.00 83.00 ? 682 GLU A OE1 1 ATOM 2577 O OE2 . GLU A 1 341 ? -22.750 13.104 36.694 1.00 82.54 ? 682 GLU A OE2 1 ATOM 2578 N N . ALA A 1 342 ? -21.653 7.839 35.733 1.00 77.57 ? 683 ALA A N 1 ATOM 2579 C CA . ALA A 1 342 ? -20.473 7.404 36.517 1.00 76.06 ? 683 ALA A CA 1 ATOM 2580 C C . ALA A 1 342 ? -19.554 6.436 35.747 1.00 75.00 ? 683 ALA A C 1 ATOM 2581 O O . ALA A 1 342 ? -20.009 5.686 34.878 1.00 73.70 ? 683 ALA A O 1 ATOM 2582 C CB . ALA A 1 342 ? -20.905 6.745 37.845 1.00 75.63 ? 683 ALA A CB 1 ATOM 2583 N N . CYS A 1 343 ? -18.263 6.447 36.083 1.00 73.09 ? 684 CYS A N 1 ATOM 2584 C CA . CYS A 1 343 ? -17.280 5.562 35.445 1.00 70.45 ? 684 CYS A CA 1 ATOM 2585 C C . CYS A 1 343 ? -17.539 4.095 35.839 1.00 71.86 ? 684 CYS A C 1 ATOM 2586 O O . CYS A 1 343 ? -17.590 3.750 37.028 1.00 71.84 ? 684 CYS A O 1 ATOM 2587 C CB . CYS A 1 343 ? -15.859 5.974 35.852 1.00 64.68 ? 684 CYS A CB 1 ATOM 2588 S SG . CYS A 1 343 ? -14.523 4.791 35.452 1.00 56.59 ? 684 CYS A SG 1 ATOM 2589 N N . ALA A 1 344 ? -17.695 3.249 34.820 1.00 72.60 ? 685 ALA A N 1 ATOM 2590 C CA . ALA A 1 344 ? -17.979 1.812 34.946 1.00 73.12 ? 685 ALA A CA 1 ATOM 2591 C C . ALA A 1 344 ? -16.894 0.948 35.604 1.00 73.59 ? 685 ALA A C 1 ATOM 2592 O O . ALA A 1 344 ? -17.005 -0.285 35.622 1.00 74.78 ? 685 ALA A O 1 ATOM 2593 C CB . ALA A 1 344 ? -18.329 1.239 33.548 1.00 72.63 ? 685 ALA A CB 1 ATOM 2594 N N . PHE A 1 345 ? -15.853 1.582 36.140 1.00 73.70 ? 686 PHE A N 1 ATOM 2595 C CA . PHE A 1 345 ? -14.764 0.857 36.805 1.00 73.80 ? 686 PHE A CA 1 ATOM 2596 C C . PHE A 1 345 ? -14.355 1.513 38.141 1.00 74.39 ? 686 PHE A C 1 ATOM 2597 O O . PHE A 1 345 ? -14.980 2.527 38.539 1.00 74.68 ? 686 PHE A O 1 ATOM 2598 C CB . PHE A 1 345 ? -13.532 0.789 35.896 1.00 73.51 ? 686 PHE A CB 1 ATOM 2599 C CG . PHE A 1 345 ? -13.820 0.324 34.497 1.00 72.86 ? 686 PHE A CG 1 ATOM 2600 C CD1 . PHE A 1 345 ? -14.081 -1.014 34.223 1.00 72.80 ? 686 PHE A CD1 1 ATOM 2601 C CD2 . PHE A 1 345 ? -13.821 1.235 33.449 1.00 72.58 ? 686 PHE A CD2 1 ATOM 2602 C CE1 . PHE A 1 345 ? -14.337 -1.433 32.920 1.00 73.16 ? 686 PHE A CE1 1 ATOM 2603 C CE2 . PHE A 1 345 ? -14.073 0.830 32.148 1.00 72.27 ? 686 PHE A CE2 1 ATOM 2604 C CZ . PHE A 1 345 ? -14.332 -0.508 31.880 1.00 72.75 ? 686 PHE A CZ 1 ATOM 2605 O OXT . PHE A 1 345 ? -13.400 0.997 38.774 1.00 74.88 ? 686 PHE A OXT 1 HETATM 2606 C C1 . NAG B 2 . ? 12.545 9.504 20.275 0.50 50.85 ? 1 NAG A C1 1 HETATM 2607 C C2 . NAG B 2 . ? 13.045 9.543 18.820 0.50 51.19 ? 1 NAG A C2 1 HETATM 2608 C C3 . NAG B 2 . ? 13.838 10.802 18.452 0.50 52.24 ? 1 NAG A C3 1 HETATM 2609 C C4 . NAG B 2 . ? 13.750 12.008 19.396 0.50 53.00 ? 1 NAG A C4 1 HETATM 2610 C C5 . NAG B 2 . ? 13.386 11.627 20.833 0.50 51.62 ? 1 NAG A C5 1 HETATM 2611 C C6 . NAG B 2 . ? 13.031 12.817 21.711 0.50 51.12 ? 1 NAG A C6 1 HETATM 2612 C C7 . NAG B 2 . ? 13.527 7.448 17.684 0.50 49.63 ? 1 NAG A C7 1 HETATM 2613 C C8 . NAG B 2 . ? 14.438 6.257 17.545 0.50 48.89 ? 1 NAG A C8 1 HETATM 2614 N N2 . NAG B 2 . ? 13.880 8.382 18.559 0.50 50.22 ? 1 NAG A N2 1 HETATM 2615 O O3 . NAG B 2 . ? 13.387 11.246 17.188 0.50 52.52 ? 1 NAG A O3 1 HETATM 2616 O O4 . NAG B 2 . ? 15.003 12.704 19.356 0.50 56.22 ? 1 NAG A O4 1 HETATM 2617 O O5 . NAG B 2 . ? 12.237 10.795 20.788 0.50 51.08 ? 1 NAG A O5 1 HETATM 2618 O O6 . NAG B 2 . ? 11.884 13.508 21.224 0.50 49.87 ? 1 NAG A O6 1 HETATM 2619 O O7 . NAG B 2 . ? 12.519 7.517 17.008 0.50 48.80 ? 1 NAG A O7 1 HETATM 2620 C C1 . NAG C 2 . ? 14.930 14.018 18.932 0.50 59.48 ? 2 NAG A C1 1 HETATM 2621 C C2 . NAG C 2 . ? 16.098 14.789 19.560 0.50 61.02 ? 2 NAG A C2 1 HETATM 2622 C C3 . NAG C 2 . ? 17.108 15.345 18.526 0.50 61.60 ? 2 NAG A C3 1 HETATM 2623 C C4 . NAG C 2 . ? 16.493 15.925 17.241 0.50 61.44 ? 2 NAG A C4 1 HETATM 2624 C C5 . NAG C 2 . ? 15.066 15.438 17.051 0.50 61.29 ? 2 NAG A C5 1 HETATM 2625 C C6 . NAG C 2 . ? 14.592 15.558 15.615 0.50 61.88 ? 2 NAG A C6 1 HETATM 2626 C C7 . NAG C 2 . ? 14.428 16.326 20.495 0.50 63.11 ? 2 NAG A C7 1 HETATM 2627 C C8 . NAG C 2 . ? 14.272 17.705 19.878 0.50 63.33 ? 2 NAG A C8 1 HETATM 2628 N N2 . NAG C 2 . ? 15.661 15.814 20.498 0.50 62.16 ? 2 NAG A N2 1 HETATM 2629 O O3 . NAG C 2 . ? 18.015 14.312 18.166 0.50 62.31 ? 2 NAG A O3 1 HETATM 2630 O O4 . NAG C 2 . ? 16.528 17.343 17.266 0.50 61.55 ? 2 NAG A O4 1 HETATM 2631 O O5 . NAG C 2 . ? 14.962 14.069 17.501 0.50 60.14 ? 2 NAG A O5 1 HETATM 2632 O O6 . NAG C 2 . ? 13.170 15.570 15.528 0.50 61.58 ? 2 NAG A O6 1 HETATM 2633 O O7 . NAG C 2 . ? 13.455 15.776 21.028 0.50 63.54 ? 2 NAG A O7 1 HETATM 2634 C C1 . NAG D 2 . ? -33.777 6.288 20.327 0.50 43.80 ? 687 NAG A C1 1 HETATM 2635 C C2 . NAG D 2 . ? -32.875 7.226 19.597 0.50 42.91 ? 687 NAG A C2 1 HETATM 2636 C C3 . NAG D 2 . ? -32.259 8.198 20.608 0.50 42.90 ? 687 NAG A C3 1 HETATM 2637 C C4 . NAG D 2 . ? -33.502 9.000 21.117 0.50 44.25 ? 687 NAG A C4 1 HETATM 2638 C C5 . NAG D 2 . ? -34.518 8.048 21.793 0.50 44.43 ? 687 NAG A C5 1 HETATM 2639 C C6 . NAG D 2 . ? -35.816 8.733 22.205 0.50 44.82 ? 687 NAG A C6 1 HETATM 2640 C C7 . NAG D 2 . ? -30.917 5.890 18.699 0.50 40.59 ? 687 NAG A C7 1 HETATM 2641 C C8 . NAG D 2 . ? -30.054 5.846 17.442 0.50 39.88 ? 687 NAG A C8 1 HETATM 2642 N N2 . NAG D 2 . ? -32.034 6.610 18.563 0.50 41.66 ? 687 NAG A N2 1 HETATM 2643 O O3 . NAG D 2 . ? -31.349 9.064 19.944 0.50 41.67 ? 687 NAG A O3 1 HETATM 2644 O O4 . NAG D 2 . ? -33.144 10.074 22.008 0.50 46.77 ? 687 NAG A O4 1 HETATM 2645 O O5 . NAG D 2 . ? -34.888 6.998 20.887 0.50 44.09 ? 687 NAG A O5 1 HETATM 2646 O O6 . NAG D 2 . ? -36.361 9.530 21.159 0.50 44.46 ? 687 NAG A O6 1 HETATM 2647 O O7 . NAG D 2 . ? -30.587 5.237 19.697 0.50 41.98 ? 687 NAG A O7 1 HETATM 2648 C C1 . NAG E 2 . ? -33.388 11.353 21.542 0.50 49.08 ? 688 NAG A C1 1 HETATM 2649 C C2 . NAG E 2 . ? -33.368 12.337 22.713 0.50 50.32 ? 688 NAG A C2 1 HETATM 2650 C C3 . NAG E 2 . ? -33.611 13.746 22.187 0.50 52.02 ? 688 NAG A C3 1 HETATM 2651 C C4 . NAG E 2 . ? -32.639 14.134 21.084 0.50 52.94 ? 688 NAG A C4 1 HETATM 2652 C C5 . NAG E 2 . ? -32.345 12.983 20.058 0.50 51.70 ? 688 NAG A C5 1 HETATM 2653 C C6 . NAG E 2 . ? -30.934 13.191 19.577 0.50 51.88 ? 688 NAG A C6 1 HETATM 2654 C C7 . NAG E 2 . ? -34.043 11.738 24.939 0.50 50.21 ? 688 NAG A C7 1 HETATM 2655 C C8 . NAG E 2 . ? -33.826 12.904 25.878 0.50 50.64 ? 688 NAG A C8 1 HETATM 2656 N N2 . NAG E 2 . ? -34.391 12.012 23.687 0.50 50.07 ? 688 NAG A N2 1 HETATM 2657 O O3 . NAG E 2 . ? -33.422 14.665 23.247 0.50 52.38 ? 688 NAG A O3 1 HETATM 2658 O O4 . NAG E 2 . ? -33.123 15.329 20.406 0.50 55.95 ? 688 NAG A O4 1 HETATM 2659 O O5 . NAG E 2 . ? -32.328 11.648 20.641 0.50 50.33 ? 688 NAG A O5 1 HETATM 2660 O O6 . NAG E 2 . ? -30.885 13.553 18.214 0.50 51.74 ? 688 NAG A O6 1 HETATM 2661 O O7 . NAG E 2 . ? -33.905 10.596 25.352 0.50 50.41 ? 688 NAG A O7 1 HETATM 2662 C C1 . BMA F 3 . ? -32.365 16.495 20.549 0.50 58.67 ? 689 BMA A C1 1 HETATM 2663 C C2 . BMA F 3 . ? -32.361 17.314 19.265 0.50 59.65 ? 689 BMA A C2 1 HETATM 2664 C C3 . BMA F 3 . ? -31.412 18.512 19.447 0.50 60.94 ? 689 BMA A C3 1 HETATM 2665 C C4 . BMA F 3 . ? -31.787 19.384 20.654 0.50 61.96 ? 689 BMA A C4 1 HETATM 2666 C C5 . BMA F 3 . ? -32.000 18.432 21.919 0.50 61.32 ? 689 BMA A C5 1 HETATM 2667 C C6 . BMA F 3 . ? -32.574 19.194 23.100 0.50 61.35 ? 689 BMA A C6 1 HETATM 2668 O O2 . BMA F 3 . ? -33.673 17.801 19.025 0.50 59.67 ? 689 BMA A O2 1 HETATM 2669 O O3 . BMA F 3 . ? -31.436 19.325 18.282 0.50 60.46 ? 689 BMA A O3 1 HETATM 2670 O O4 . BMA F 3 . ? -30.674 20.303 20.909 0.50 64.55 ? 689 BMA A O4 1 HETATM 2671 O O5 . BMA F 3 . ? -32.893 17.302 21.612 0.50 59.90 ? 689 BMA A O5 1 HETATM 2672 O O6 . BMA F 3 . ? -33.330 18.356 23.961 0.50 61.96 ? 689 BMA A O6 1 HETATM 2673 C C1 . BMA G 3 . ? -30.426 21.509 20.201 0.50 66.85 ? 690 BMA A C1 1 HETATM 2674 C C2 . BMA G 3 . ? -29.368 22.321 20.992 0.50 67.78 ? 690 BMA A C2 1 HETATM 2675 C C3 . BMA G 3 . ? -29.316 23.690 20.323 0.50 68.50 ? 690 BMA A C3 1 HETATM 2676 C C4 . BMA G 3 . ? -28.879 23.560 18.862 0.50 68.55 ? 690 BMA A C4 1 HETATM 2677 C C5 . BMA G 3 . ? -29.702 22.482 18.096 0.50 68.18 ? 690 BMA A C5 1 HETATM 2678 C C6 . BMA G 3 . ? -28.906 22.181 16.818 0.50 67.97 ? 690 BMA A C6 1 HETATM 2679 O O2 . BMA G 3 . ? -28.093 21.686 20.867 0.50 68.10 ? 690 BMA A O2 1 HETATM 2680 O O3 . BMA G 3 . ? -28.412 24.526 21.018 0.50 68.65 ? 690 BMA A O3 1 HETATM 2681 O O4 . BMA G 3 . ? -29.031 24.824 18.231 0.50 69.09 ? 690 BMA A O4 1 HETATM 2682 O O5 . BMA G 3 . ? -29.899 21.248 18.894 0.50 67.68 ? 690 BMA A O5 1 HETATM 2683 O O6 . BMA G 3 . ? -29.323 20.979 16.196 0.50 67.65 ? 690 BMA A O6 1 HETATM 2684 C C1 . NAG H 2 . ? -16.813 4.183 1.328 0.50 42.84 ? 691 NAG A C1 1 HETATM 2685 C C2 . NAG H 2 . ? -16.430 5.614 1.032 0.50 43.60 ? 691 NAG A C2 1 HETATM 2686 C C3 . NAG H 2 . ? -15.571 5.734 -0.205 0.50 44.76 ? 691 NAG A C3 1 HETATM 2687 C C4 . NAG H 2 . ? -14.342 4.821 -0.130 0.50 46.02 ? 691 NAG A C4 1 HETATM 2688 C C5 . NAG H 2 . ? -14.593 3.457 0.622 0.50 43.96 ? 691 NAG A C5 1 HETATM 2689 C C6 . NAG H 2 . ? -13.302 2.965 1.255 0.50 42.36 ? 691 NAG A C6 1 HETATM 2690 C C7 . NAG H 2 . ? -18.687 6.509 0.559 0.50 40.71 ? 691 NAG A C7 1 HETATM 2691 C C8 . NAG H 2 . ? -18.864 5.819 -0.791 0.50 40.26 ? 691 NAG A C8 1 HETATM 2692 N N2 . NAG H 2 . ? -17.479 6.617 1.107 0.50 41.49 ? 691 NAG A N2 1 HETATM 2693 O O3 . NAG H 2 . ? -15.113 7.073 -0.302 0.50 45.59 ? 691 NAG A O3 1 HETATM 2694 O O4 . NAG H 2 . ? -13.983 4.481 -1.483 0.50 51.04 ? 691 NAG A O4 1 HETATM 2695 O O5 . NAG H 2 . ? -15.590 3.520 1.689 0.50 42.74 ? 691 NAG A O5 1 HETATM 2696 O O6 . NAG H 2 . ? -12.875 3.812 2.317 0.50 41.87 ? 691 NAG A O6 1 HETATM 2697 O O7 . NAG H 2 . ? -19.667 7.034 1.083 0.50 40.25 ? 691 NAG A O7 1 HETATM 2698 C C1 . NDG I 4 . ? -13.321 5.285 -2.399 0.50 55.54 ? 692 NDG A C1 1 HETATM 2699 C C2 . NDG I 4 . ? -11.914 4.829 -2.716 0.50 57.13 ? 692 NDG A C2 1 HETATM 2700 C C3 . NDG I 4 . ? -10.851 5.865 -2.451 0.50 59.26 ? 692 NDG A C3 1 HETATM 2701 C C4 . NDG I 4 . ? -11.279 7.320 -2.776 0.50 60.63 ? 692 NDG A C4 1 HETATM 2702 C C5 . NDG I 4 . ? -12.640 7.668 -2.133 0.50 59.43 ? 692 NDG A C5 1 HETATM 2703 C C6 . NDG I 4 . ? -13.111 8.976 -2.774 0.50 59.95 ? 692 NDG A C6 1 HETATM 2704 C C7 . NDG I 4 . ? -11.282 2.485 -2.497 0.50 56.29 ? 692 NDG A C7 1 HETATM 2705 C C8 . NDG I 4 . ? -9.961 1.882 -2.035 0.50 56.40 ? 692 NDG A C8 1 HETATM 2706 O O . NDG I 4 . ? -13.678 6.672 -2.364 0.50 57.64 ? 692 NDG A O 1 HETATM 2707 O O3 . NDG I 4 . ? -9.796 5.512 -3.318 0.50 59.56 ? 692 NDG A O3 1 HETATM 2708 O O4 . NDG I 4 . ? -10.295 8.279 -2.278 0.50 63.89 ? 692 NDG A O4 1 HETATM 2709 O O6 . NDG I 4 . ? -14.454 9.257 -2.426 0.50 60.20 ? 692 NDG A O6 1 HETATM 2710 O O7 . NDG I 4 . ? -11.967 1.898 -3.344 0.50 55.51 ? 692 NDG A O7 1 HETATM 2711 N N2 . NDG I 4 . ? -11.641 3.637 -1.929 0.50 56.56 ? 692 NDG A N2 1 HETATM 2712 C C1 . BMA J 3 . ? -9.292 8.922 -3.044 0.50 66.41 ? 693 BMA A C1 1 HETATM 2713 C C2 . BMA J 3 . ? -8.239 7.967 -3.625 0.50 67.36 ? 693 BMA A C2 1 HETATM 2714 C C3 . BMA J 3 . ? -8.007 7.957 -5.159 0.50 68.31 ? 693 BMA A C3 1 HETATM 2715 C C4 . BMA J 3 . ? -8.540 9.176 -5.904 0.50 68.87 ? 693 BMA A C4 1 HETATM 2716 C C5 . BMA J 3 . ? -8.749 10.276 -4.920 0.50 68.86 ? 693 BMA A C5 1 HETATM 2717 C C6 . BMA J 3 . ? -9.003 11.638 -5.484 0.50 69.49 ? 693 BMA A C6 1 HETATM 2718 O O2 . BMA J 3 . ? -8.463 6.651 -3.223 0.50 68.15 ? 693 BMA A O2 1 HETATM 2719 O O3 . BMA J 3 . ? -8.553 6.776 -5.749 0.50 68.13 ? 693 BMA A O3 1 HETATM 2720 O O4 . BMA J 3 . ? -7.636 9.584 -6.924 0.50 69.31 ? 693 BMA A O4 1 HETATM 2721 O O5 . BMA J 3 . ? -9.807 9.879 -3.991 0.50 67.73 ? 693 BMA A O5 1 HETATM 2722 O O6 . BMA J 3 . ? -10.043 11.657 -6.437 0.50 70.63 ? 693 BMA A O6 1 HETATM 2723 C C1 . RIP K 5 . ? -17.094 13.959 15.476 0.50 59.79 ? 694 RIP A C1 1 HETATM 2724 C C2 . RIP K 5 . ? -18.054 15.173 15.390 0.50 59.93 ? 694 RIP A C2 1 HETATM 2725 C C3 . RIP K 5 . ? -19.394 14.765 14.730 0.50 59.71 ? 694 RIP A C3 1 HETATM 2726 C C4 . RIP K 5 . ? -19.190 14.013 13.365 0.50 59.90 ? 694 RIP A C4 1 HETATM 2727 C C5 . RIP K 5 . ? -18.031 13.012 13.390 0.50 60.09 ? 694 RIP A C5 1 HETATM 2728 O O1 . RIP K 5 . ? -15.878 14.323 16.042 0.50 59.39 ? 694 RIP A O1 1 HETATM 2729 O O2 . RIP K 5 . ? -18.348 15.749 16.647 0.50 59.29 ? 694 RIP A O2 1 HETATM 2730 O O3 . RIP K 5 . ? -20.078 13.928 15.661 0.50 59.09 ? 694 RIP A O3 1 HETATM 2731 O O4 . RIP K 5 . ? -20.322 13.260 13.004 0.50 59.56 ? 694 RIP A O4 1 HETATM 2732 O O5 . RIP K 5 . ? -16.860 13.411 14.167 0.50 60.38 ? 694 RIP A O5 1 HETATM 2733 C C1 . RIP L 5 . ? -18.874 -1.477 29.727 0.50 57.37 ? 695 RIP A C1 1 HETATM 2734 C C2 . RIP L 5 . ? -18.995 -3.000 30.025 0.50 57.27 ? 695 RIP A C2 1 HETATM 2735 C C3 . RIP L 5 . ? -20.306 -3.556 29.534 0.50 57.26 ? 695 RIP A C3 1 HETATM 2736 C C4 . RIP L 5 . ? -21.469 -2.614 29.910 0.50 57.44 ? 695 RIP A C4 1 HETATM 2737 C C5 . RIP L 5 . ? -21.190 -1.164 29.522 0.50 57.44 ? 695 RIP A C5 1 HETATM 2738 O O1 . RIP L 5 . ? -17.658 -1.025 30.302 0.50 56.84 ? 695 RIP A O1 1 HETATM 2739 O O2 . RIP L 5 . ? -17.893 -3.682 29.451 0.50 57.47 ? 695 RIP A O2 1 HETATM 2740 O O3 . RIP L 5 . ? -20.332 -3.930 28.213 0.50 57.33 ? 695 RIP A O3 1 HETATM 2741 O O4 . RIP L 5 . ? -22.685 -3.093 29.415 0.50 57.67 ? 695 RIP A O4 1 HETATM 2742 O O5 . RIP L 5 . ? -19.992 -0.735 30.224 0.50 57.52 ? 695 RIP A O5 1 HETATM 2743 FE FE . FE M 6 . ? -15.962 2.062 14.990 1.00 32.29 ? 1001 FE A FE 1 HETATM 2744 C C . CO3 N 7 . ? -17.484 -0.010 15.163 1.00 29.84 ? 201 CO3 A C 1 HETATM 2745 O O1 . CO3 N 7 . ? -16.096 -0.162 15.434 1.00 28.18 ? 201 CO3 A O1 1 HETATM 2746 O O2 . CO3 N 7 . ? -17.924 1.099 14.767 1.00 29.43 ? 201 CO3 A O2 1 HETATM 2747 O O3 . CO3 N 7 . ? -18.254 -1.004 15.311 1.00 30.88 ? 201 CO3 A O3 1 HETATM 2748 ZN ZN . ZN O 8 . ? -15.477 22.468 23.993 1.00 35.57 ? 301 ZN A ZN 1 HETATM 2749 ZN ZN . ZN P 8 . ? -26.990 10.408 7.482 1.00 46.14 ? 302 ZN A ZN 1 HETATM 2750 S S . SO4 Q 9 . ? -31.583 -6.335 -4.608 0.50 31.46 ? 1002 SO4 A S 1 HETATM 2751 O O1 . SO4 Q 9 . ? -31.402 -5.481 -3.415 0.50 31.42 ? 1002 SO4 A O1 1 HETATM 2752 O O2 . SO4 Q 9 . ? -32.890 -6.010 -5.216 0.50 31.13 ? 1002 SO4 A O2 1 HETATM 2753 O O3 . SO4 Q 9 . ? -30.479 -6.077 -5.560 0.50 30.44 ? 1002 SO4 A O3 1 HETATM 2754 O O4 . SO4 Q 9 . ? -31.568 -7.762 -4.224 0.50 30.29 ? 1002 SO4 A O4 1 HETATM 2755 O O . HOH R 10 . ? -18.969 -10.542 14.272 1.00 21.18 ? 1003 HOH A O 1 HETATM 2756 O O . HOH R 10 . ? -3.240 -0.300 11.253 1.00 29.93 ? 1004 HOH A O 1 HETATM 2757 O O . HOH R 10 . ? -23.867 -0.356 11.473 1.00 31.75 ? 1005 HOH A O 1 HETATM 2758 O O . HOH R 10 . ? -4.562 -8.680 19.048 1.00 24.63 ? 1006 HOH A O 1 HETATM 2759 O O . HOH R 10 . ? -30.789 4.322 5.912 1.00 30.99 ? 1007 HOH A O 1 HETATM 2760 O O . HOH R 10 . ? -11.490 -5.072 11.796 1.00 24.62 ? 1008 HOH A O 1 HETATM 2761 O O . HOH R 10 . ? -11.287 -0.097 9.235 1.00 31.11 ? 1009 HOH A O 1 HETATM 2762 O O . HOH R 10 . ? -8.972 1.814 15.117 1.00 31.94 ? 1010 HOH A O 1 HETATM 2763 O O . HOH R 10 . ? -13.396 12.571 30.091 1.00 33.46 ? 1011 HOH A O 1 HETATM 2764 O O . HOH R 10 . ? -12.503 -4.854 22.917 1.00 29.81 ? 1012 HOH A O 1 HETATM 2765 O O . HOH R 10 . ? -12.940 -1.740 7.738 1.00 28.91 ? 1013 HOH A O 1 HETATM 2766 O O . HOH R 10 . ? -33.781 -2.065 4.404 1.00 39.12 ? 1014 HOH A O 1 HETATM 2767 O O . HOH R 10 . ? -7.602 -7.036 19.257 1.00 27.45 ? 1015 HOH A O 1 HETATM 2768 O O . HOH R 10 . ? -16.430 -4.686 23.549 1.00 22.61 ? 1016 HOH A O 1 HETATM 2769 O O . HOH R 10 . ? -2.688 8.824 29.717 1.00 21.66 ? 1017 HOH A O 1 HETATM 2770 O O . HOH R 10 . ? -10.743 -13.197 10.843 1.00 32.63 ? 1018 HOH A O 1 HETATM 2771 O O . HOH R 10 . ? -9.499 16.897 23.807 1.00 37.94 ? 1019 HOH A O 1 HETATM 2772 O O . HOH R 10 . ? -11.069 -1.135 14.102 1.00 29.98 ? 1020 HOH A O 1 HETATM 2773 O O . HOH R 10 . ? -7.296 -0.916 17.903 1.00 31.14 ? 1021 HOH A O 1 HETATM 2774 O O . HOH R 10 . ? -16.980 5.429 16.588 1.00 29.68 ? 1022 HOH A O 1 HETATM 2775 O O . HOH R 10 . ? -13.433 -6.747 29.523 1.00 32.51 ? 1023 HOH A O 1 HETATM 2776 O O . HOH R 10 . ? 1.460 3.556 8.191 1.00 43.43 ? 1024 HOH A O 1 HETATM 2777 O O . HOH R 10 . ? -6.639 -3.984 33.187 1.00 34.81 ? 1025 HOH A O 1 HETATM 2778 O O . HOH R 10 . ? -8.900 -0.805 0.419 1.00 39.95 ? 1026 HOH A O 1 HETATM 2779 O O . HOH R 10 . ? 7.156 -2.810 25.610 1.00 40.11 ? 1027 HOH A O 1 HETATM 2780 O O . HOH R 10 . ? -7.943 -0.028 20.606 1.00 23.99 ? 1028 HOH A O 1 HETATM 2781 O O . HOH R 10 . ? -5.014 -0.940 21.087 1.00 28.86 ? 1029 HOH A O 1 HETATM 2782 O O . HOH R 10 . ? -13.658 3.222 12.243 1.00 32.17 ? 1030 HOH A O 1 HETATM 2783 O O . HOH R 10 . ? -27.088 0.683 5.930 1.00 35.65 ? 1031 HOH A O 1 HETATM 2784 O O . HOH R 10 . ? -38.591 -11.821 10.145 1.00 39.12 ? 1032 HOH A O 1 HETATM 2785 O O . HOH R 10 . ? 1.326 13.495 33.765 1.00 41.39 ? 1033 HOH A O 1 HETATM 2786 O O . HOH R 10 . ? 8.760 13.383 23.411 1.00 64.84 ? 1034 HOH A O 1 HETATM 2787 O O . HOH R 10 . ? 0.848 -5.430 29.945 1.00 36.17 ? 1035 HOH A O 1 HETATM 2788 O O . HOH R 10 . ? -2.454 -6.441 31.494 1.00 25.22 ? 1036 HOH A O 1 HETATM 2789 O O . HOH R 10 . ? -5.069 -5.846 32.282 1.00 35.29 ? 1037 HOH A O 1 HETATM 2790 O O . HOH R 10 . ? 8.936 6.286 3.603 1.00 73.98 ? 1038 HOH A O 1 HETATM 2791 O O . HOH R 10 . ? 0.399 -3.187 34.116 1.00 36.78 ? 1039 HOH A O 1 HETATM 2792 O O . HOH R 10 . ? -0.317 -5.131 32.413 1.00 27.15 ? 1040 HOH A O 1 HETATM 2793 O O . HOH R 10 . ? -10.153 -1.439 20.602 1.00 24.92 ? 1041 HOH A O 1 HETATM 2794 O O . HOH R 10 . ? -8.372 -4.778 17.981 1.00 27.02 ? 1042 HOH A O 1 HETATM 2795 O O . HOH R 10 . ? -10.187 -3.124 18.529 1.00 35.78 ? 1043 HOH A O 1 HETATM 2796 O O . HOH R 10 . ? -7.868 -0.389 15.345 1.00 25.67 ? 1044 HOH A O 1 HETATM 2797 O O . HOH R 10 . ? -12.177 5.722 12.373 1.00 23.46 ? 1045 HOH A O 1 HETATM 2798 O O . HOH R 10 . ? -9.826 5.845 9.683 1.00 30.97 ? 1046 HOH A O 1 HETATM 2799 O O . HOH R 10 . ? -13.115 4.336 7.803 1.00 31.39 ? 1047 HOH A O 1 HETATM 2800 O O . HOH R 10 . ? -1.543 16.624 4.793 1.00 49.41 ? 1048 HOH A O 1 HETATM 2801 O O . HOH R 10 . ? -31.621 7.387 16.179 1.00 55.23 ? 1049 HOH A O 1 HETATM 2802 O O . HOH R 10 . ? -8.584 5.911 -1.344 1.00 83.03 ? 1050 HOH A O 1 HETATM 2803 O O . HOH R 10 . ? -39.053 -7.449 4.413 1.00 46.35 ? 1051 HOH A O 1 HETATM 2804 O O . HOH R 10 . ? -21.296 -5.293 18.061 1.00 70.27 ? 1052 HOH A O 1 HETATM 2805 O O . HOH R 10 . ? -23.875 0.692 24.580 1.00 51.40 ? 1053 HOH A O 1 HETATM 2806 O O . HOH R 10 . ? -22.965 -2.675 26.986 1.00 53.57 ? 1054 HOH A O 1 HETATM 2807 O O . HOH R 10 . ? -25.526 -1.935 25.059 1.00 36.44 ? 1055 HOH A O 1 HETATM 2808 O O . HOH R 10 . ? -14.201 -21.300 22.265 1.00 56.64 ? 1056 HOH A O 1 HETATM 2809 O O . HOH R 10 . ? -14.099 -21.703 12.243 1.00 48.81 ? 1057 HOH A O 1 HETATM 2810 O O . HOH R 10 . ? -8.929 -4.642 15.375 1.00 52.86 ? 1058 HOH A O 1 HETATM 2811 O O . HOH R 10 . ? -16.088 13.926 12.167 1.00 46.99 ? 1059 HOH A O 1 HETATM 2812 O O . HOH R 10 . ? -5.240 -6.099 -3.004 1.00 56.81 ? 1060 HOH A O 1 HETATM 2813 O O . HOH R 10 . ? -10.906 -7.852 -1.732 1.00 50.51 ? 1061 HOH A O 1 HETATM 2814 O O . HOH R 10 . ? -1.791 16.739 29.443 1.00 48.16 ? 1062 HOH A O 1 HETATM 2815 O O . HOH R 10 . ? -31.505 -16.845 9.758 1.00 47.45 ? 1063 HOH A O 1 HETATM 2816 O O . HOH R 10 . ? -35.048 -2.609 -2.308 1.00 45.16 ? 1064 HOH A O 1 HETATM 2817 O O . HOH R 10 . ? -26.478 -17.825 6.833 1.00 60.34 ? 1065 HOH A O 1 HETATM 2818 O O . HOH R 10 . ? -29.344 9.129 16.549 1.00 50.54 ? 1066 HOH A O 1 HETATM 2819 O O . HOH R 10 . ? -30.938 11.566 14.132 1.00 58.51 ? 1067 HOH A O 1 HETATM 2820 O O . HOH R 10 . ? -1.778 20.321 23.488 1.00 44.42 ? 1068 HOH A O 1 HETATM 2821 O O . HOH R 10 . ? -9.258 20.539 27.123 1.00 42.39 ? 1069 HOH A O 1 HETATM 2822 O O . HOH R 10 . ? 2.505 21.622 17.585 1.00 52.94 ? 1070 HOH A O 1 HETATM 2823 O O . HOH R 10 . ? -5.923 17.205 18.984 1.00 39.51 ? 1071 HOH A O 1 HETATM 2824 O O . HOH R 10 . ? 4.791 -2.038 8.985 1.00 52.01 ? 1072 HOH A O 1 HETATM 2825 O O . HOH R 10 . ? -2.778 -4.006 6.713 1.00 57.22 ? 1073 HOH A O 1 HETATM 2826 O O . HOH R 10 . ? -18.800 18.170 28.037 1.00 45.03 ? 1074 HOH A O 1 HETATM 2827 O O . HOH R 10 . ? 17.609 11.708 20.371 1.00 65.61 ? 1075 HOH A O 1 HETATM 2828 O O . HOH R 10 . ? -26.611 8.884 16.227 1.00 42.08 ? 1076 HOH A O 1 HETATM 2829 O O . HOH R 10 . ? -16.224 -5.648 25.899 1.00 40.51 ? 1077 HOH A O 1 HETATM 2830 O O . HOH R 10 . ? -41.098 -5.337 9.776 1.00 85.46 ? 1078 HOH A O 1 HETATM 2831 O O . HOH R 10 . ? 11.653 13.928 28.796 1.00 69.71 ? 1079 HOH A O 1 HETATM 2832 O O . HOH R 10 . ? 13.604 13.019 25.154 1.00 49.18 ? 1080 HOH A O 1 HETATM 2833 O O . HOH R 10 . ? 2.324 4.113 32.513 1.00 44.77 ? 1081 HOH A O 1 HETATM 2834 O O . HOH R 10 . ? 2.003 -11.225 20.920 1.00 41.49 ? 1082 HOH A O 1 HETATM 2835 O O . HOH R 10 . ? 3.036 -6.026 25.401 1.00 47.50 ? 1083 HOH A O 1 HETATM 2836 O O . HOH R 10 . ? 6.425 -8.640 17.539 1.00 51.34 ? 1084 HOH A O 1 HETATM 2837 O O . HOH R 10 . ? 9.603 -2.116 24.161 1.00 43.04 ? 1085 HOH A O 1 HETATM 2838 O O . HOH R 10 . ? 13.640 12.823 15.450 1.00 66.48 ? 1086 HOH A O 1 HETATM 2839 O O . HOH R 10 . ? -34.198 -4.829 -3.412 1.00 49.19 ? 1087 HOH A O 1 HETATM 2840 O O . HOH R 10 . ? -16.806 -0.293 26.815 1.00 44.02 ? 1088 HOH A O 1 HETATM 2841 O O . HOH R 10 . ? -11.185 0.980 32.563 1.00 67.80 ? 1089 HOH A O 1 HETATM 2842 O O . HOH R 10 . ? -2.087 7.092 31.767 1.00 39.81 ? 1090 HOH A O 1 HETATM 2843 O O . HOH R 10 . ? -6.957 8.271 35.528 1.00 45.24 ? 1091 HOH A O 1 HETATM 2844 O O . HOH R 10 . ? -20.575 2.392 24.380 1.00 38.89 ? 1092 HOH A O 1 HETATM 2845 O O . HOH R 10 . ? -12.076 14.319 31.549 1.00 29.44 ? 1093 HOH A O 1 HETATM 2846 O O . HOH R 10 . ? -12.014 16.949 28.000 1.00 29.99 ? 1094 HOH A O 1 HETATM 2847 O O . HOH R 10 . ? -13.153 14.422 1.653 1.00 60.70 ? 1095 HOH A O 1 HETATM 2848 O O . HOH R 10 . ? -8.282 20.165 3.893 1.00 68.65 ? 1096 HOH A O 1 HETATM 2849 O O . HOH R 10 . ? -27.116 -12.135 3.757 1.00 30.42 ? 1097 HOH A O 1 HETATM 2850 O O . HOH R 10 . ? -24.844 -12.370 -2.643 1.00 49.58 ? 1098 HOH A O 1 HETATM 2851 O O . HOH R 10 . ? -14.009 -15.053 -1.196 1.00 52.74 ? 1099 HOH A O 1 HETATM 2852 O O . HOH R 10 . ? -34.458 -11.792 -7.668 1.00 44.78 ? 1100 HOH A O 1 HETATM 2853 O O . HOH R 10 . ? -37.515 -7.202 11.691 1.00 41.62 ? 1101 HOH A O 1 HETATM 2854 O O . HOH R 10 . ? -40.070 -12.822 15.403 1.00 52.92 ? 1102 HOH A O 1 HETATM 2855 O O . HOH R 10 . ? -27.226 -21.517 8.644 1.00 45.49 ? 1103 HOH A O 1 HETATM 2856 O O . HOH R 10 . ? -34.331 -5.409 21.282 1.00 75.36 ? 1104 HOH A O 1 HETATM 2857 O O . HOH R 10 . ? -14.774 16.717 2.953 1.00 67.76 ? 1105 HOH A O 1 HETATM 2858 O O . HOH R 10 . ? -12.616 6.346 9.430 1.00 43.95 ? 1106 HOH A O 1 HETATM 2859 O O . HOH R 10 . ? 3.654 2.728 22.959 1.00 60.07 ? 1107 HOH A O 1 HETATM 2860 O O . HOH R 10 . ? -34.437 -10.206 27.177 1.00 51.25 ? 1108 HOH A O 1 HETATM 2861 O O . HOH R 10 . ? -24.291 -11.054 26.749 1.00 40.12 ? 1109 HOH A O 1 HETATM 2862 O O . HOH R 10 . ? -18.653 -18.672 22.900 1.00 36.02 ? 1110 HOH A O 1 HETATM 2863 O O . HOH R 10 . ? -28.843 -12.788 19.101 1.00 43.55 ? 1111 HOH A O 1 HETATM 2864 O O . HOH R 10 . ? -5.599 7.006 -5.971 1.00 57.65 ? 1112 HOH A O 1 HETATM 2865 O O . HOH R 10 . ? -4.886 -19.040 23.510 1.00 45.68 ? 1113 HOH A O 1 HETATM 2866 O O . HOH R 10 . ? -4.461 -16.487 23.882 1.00 56.89 ? 1114 HOH A O 1 HETATM 2867 O O . HOH R 10 . ? -11.773 -3.715 14.421 1.00 42.42 ? 1115 HOH A O 1 HETATM 2868 O O . HOH R 10 . ? -20.221 -17.789 1.411 1.00 44.61 ? 1116 HOH A O 1 HETATM 2869 O O . HOH R 10 . ? -15.437 -18.748 0.171 1.00 44.95 ? 1117 HOH A O 1 HETATM 2870 O O . HOH R 10 . ? -17.949 -16.826 0.350 1.00 46.59 ? 1118 HOH A O 1 HETATM 2871 O O . HOH R 10 . ? -7.548 -15.034 7.006 1.00 57.23 ? 1119 HOH A O 1 HETATM 2872 O O . HOH R 10 . ? -8.609 -17.767 7.907 1.00 55.12 ? 1120 HOH A O 1 HETATM 2873 O O . HOH R 10 . ? -6.619 -18.668 1.080 1.00 43.96 ? 1121 HOH A O 1 HETATM 2874 O O . HOH R 10 . ? -20.313 -13.922 -1.627 1.00 47.55 ? 1122 HOH A O 1 HETATM 2875 O O . HOH R 10 . ? -33.147 5.894 4.019 1.00 39.63 ? 1123 HOH A O 1 HETATM 2876 O O . HOH R 10 . ? -11.572 14.138 5.955 1.00 58.29 ? 1124 HOH A O 1 HETATM 2877 O O . HOH R 10 . ? 0.135 9.643 8.703 1.00 43.20 ? 1125 HOH A O 1 HETATM 2878 O O . HOH R 10 . ? -0.815 11.960 4.318 1.00 48.63 ? 1126 HOH A O 1 HETATM 2879 O O . HOH R 10 . ? -9.069 -0.181 7.594 1.00 45.71 ? 1127 HOH A O 1 HETATM 2880 O O . HOH R 10 . ? -7.645 -0.936 3.863 1.00 52.76 ? 1128 HOH A O 1 HETATM 2881 O O . HOH R 10 . ? -8.039 21.433 19.662 1.00 59.65 ? 1129 HOH A O 1 HETATM 2882 O O . HOH R 10 . ? -6.707 -7.924 30.344 1.00 38.19 ? 1130 HOH A O 1 HETATM 2883 O O . HOH R 10 . ? -17.701 5.400 5.884 1.00 37.68 ? 1131 HOH A O 1 HETATM 2884 O O . HOH R 10 . ? -8.000 11.901 32.819 1.00 22.57 ? 1132 HOH A O 1 HETATM 2885 O O . HOH R 10 . ? -23.405 12.376 17.401 1.00 38.58 ? 1133 HOH A O 1 HETATM 2886 O O . HOH R 10 . ? -17.971 15.628 28.312 1.00 47.46 ? 1134 HOH A O 1 HETATM 2887 O O . HOH R 10 . ? -30.234 -10.674 19.483 1.00 44.84 ? 1135 HOH A O 1 HETATM 2888 O O . HOH R 10 . ? -20.608 3.769 -1.111 1.00 50.60 ? 1136 HOH A O 1 HETATM 2889 O O . HOH R 10 . ? -9.884 13.456 -4.371 1.00 54.58 ? 1137 HOH A O 1 HETATM 2890 O O . HOH R 10 . ? -12.336 9.480 -0.604 1.00 68.92 ? 1138 HOH A O 1 HETATM 2891 O O . HOH R 10 . ? -11.846 0.187 19.576 1.00 31.98 ? 1139 HOH A O 1 HETATM 2892 O O . HOH R 10 . ? -5.082 -14.597 5.547 1.00 50.66 ? 1140 HOH A O 1 HETATM 2893 O O . HOH R 10 . ? -19.811 -0.926 32.876 1.00 50.32 ? 1141 HOH A O 1 HETATM 2894 O O . HOH R 10 . ? -15.786 -16.847 1.799 1.00 62.98 ? 1142 HOH A O 1 HETATM 2895 O O . HOH R 10 . ? -23.153 -19.477 22.791 1.00 49.12 ? 1143 HOH A O 1 HETATM 2896 O O . HOH R 10 . ? -6.446 -17.834 25.065 1.00 45.70 ? 1144 HOH A O 1 HETATM 2897 O O . HOH R 10 . ? -7.038 20.280 25.719 1.00 57.67 ? 1145 HOH A O 1 HETATM 2898 O O . HOH R 10 . ? -5.908 7.597 3.342 1.00 60.72 ? 1146 HOH A O 1 HETATM 2899 O O . HOH R 10 . ? -6.268 -10.822 12.654 1.00 52.69 ? 1147 HOH A O 1 HETATM 2900 O O . HOH R 10 . ? -30.226 -19.567 13.896 1.00 45.62 ? 1148 HOH A O 1 HETATM 2901 O O . HOH R 10 . ? -28.963 -21.907 10.511 1.00 50.70 ? 1149 HOH A O 1 HETATM 2902 O O . HOH R 10 . ? 18.438 16.689 15.576 1.00 60.13 ? 1150 HOH A O 1 HETATM 2903 O O . HOH R 10 . ? -26.611 10.855 37.318 1.00 57.38 ? 1151 HOH A O 1 HETATM 2904 O O . HOH R 10 . ? -8.759 -14.185 12.087 1.00 39.07 ? 1152 HOH A O 1 HETATM 2905 O O . HOH R 10 . ? 10.541 7.349 17.311 1.00 54.43 ? 1153 HOH A O 1 HETATM 2906 O O . HOH R 10 . ? -16.915 14.811 4.336 1.00 61.93 ? 1154 HOH A O 1 HETATM 2907 O O . HOH R 10 . ? -22.099 9.136 -2.951 1.00 52.32 ? 1155 HOH A O 1 HETATM 2908 O O . HOH R 10 . ? 8.402 10.842 19.558 1.00 60.03 ? 1156 HOH A O 1 HETATM 2909 O O . HOH R 10 . ? -9.406 -9.994 -1.201 1.00 61.83 ? 1157 HOH A O 1 HETATM 2910 O O . HOH R 10 . ? -32.314 -10.976 29.060 1.00 49.75 ? 1158 HOH A O 1 HETATM 2911 O O . HOH R 10 . ? 4.065 20.069 31.194 1.00 66.42 ? 1159 HOH A O 1 HETATM 2912 O O . HOH R 10 . ? -8.652 -11.181 -4.828 1.00 49.68 ? 1160 HOH A O 1 HETATM 2913 O O . HOH R 10 . ? 1.107 -6.515 6.591 1.00 66.44 ? 1161 HOH A O 1 HETATM 2914 O O . HOH R 10 . ? -1.223 22.478 17.739 1.00 62.00 ? 1162 HOH A O 1 HETATM 2915 O O . HOH R 10 . ? -18.481 19.775 25.991 1.00 56.52 ? 1163 HOH A O 1 HETATM 2916 O O . HOH R 10 . ? -13.628 14.827 28.247 1.00 47.76 ? 1164 HOH A O 1 HETATM 2917 O O . HOH R 10 . ? -24.511 -2.821 31.237 1.00 58.75 ? 1165 HOH A O 1 HETATM 2918 O O . HOH R 10 . ? -8.926 -11.106 7.255 1.00 46.80 ? 1166 HOH A O 1 HETATM 2919 O O . HOH R 10 . ? -24.962 -12.421 -5.194 1.00 42.17 ? 1167 HOH A O 1 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 TYR 1 342 342 TYR TYR A . n A 1 2 THR 2 343 343 THR THR A . n A 1 3 ARG 3 344 344 ARG ARG A . n A 1 4 VAL 4 345 345 VAL VAL A . n A 1 5 VAL 5 346 346 VAL VAL A . n A 1 6 TRP 6 347 347 TRP TRP A . n A 1 7 CYS 7 348 348 CYS CYS A . n A 1 8 ALA 8 349 349 ALA ALA A . n A 1 9 VAL 9 350 350 VAL VAL A . n A 1 10 GLY 10 351 351 GLY GLY A . n A 1 11 PRO 11 352 352 PRO PRO A . n A 1 12 GLU 12 353 353 GLU GLU A . n A 1 13 GLU 13 354 354 GLU GLU A . n A 1 14 GLN 14 355 355 GLN GLN A . n A 1 15 LYS 15 356 356 LYS LYS A . n A 1 16 LYS 16 357 357 LYS LYS A . n A 1 17 CYS 17 358 358 CYS CYS A . n A 1 18 GLN 18 359 359 GLN GLN A . n A 1 19 GLN 19 360 360 GLN GLN A . n A 1 20 TRP 20 361 361 TRP TRP A . n A 1 21 SER 21 362 362 SER SER A . n A 1 22 GLN 22 363 363 GLN GLN A . n A 1 23 GLN 23 364 364 GLN GLN A . n A 1 24 SER 24 365 365 SER SER A . n A 1 25 GLY 25 366 366 GLY GLY A . n A 1 26 GLN 26 367 367 GLN GLN A . n A 1 27 ASN 27 368 368 ASN ASN A . n A 1 28 VAL 28 369 369 VAL VAL A . n A 1 29 THR 29 370 370 THR THR A . n A 1 30 CYS 30 371 371 CYS CYS A . n A 1 31 ALA 31 372 372 ALA ALA A . n A 1 32 THR 32 373 373 THR THR A . n A 1 33 ALA 33 374 374 ALA ALA A . n A 1 34 SER 34 375 375 SER SER A . n A 1 35 THR 35 376 376 THR THR A . n A 1 36 THR 36 377 377 THR THR A . n A 1 37 ASP 37 378 378 ASP ASP A . n A 1 38 ASP 38 379 379 ASP ASP A . n A 1 39 CYS 39 380 380 CYS CYS A . n A 1 40 ILE 40 381 381 ILE ILE A . n A 1 41 VAL 41 382 382 VAL VAL A . n A 1 42 LEU 42 383 383 LEU LEU A . n A 1 43 VAL 43 384 384 VAL VAL A . n A 1 44 LEU 44 385 385 LEU LEU A . n A 1 45 LYS 45 386 386 LYS LYS A . n A 1 46 GLY 46 387 387 GLY GLY A . n A 1 47 GLU 47 388 388 GLU GLU A . n A 1 48 ALA 48 389 389 ALA ALA A . n A 1 49 ASP 49 390 390 ASP ASP A . n A 1 50 ALA 50 391 391 ALA ALA A . n A 1 51 LEU 51 392 392 LEU LEU A . n A 1 52 ASN 52 393 393 ASN ASN A . n A 1 53 LEU 53 394 394 LEU LEU A . n A 1 54 ASP 54 395 395 ASP ASP A . n A 1 55 GLY 55 396 396 GLY GLY A . n A 1 56 GLY 56 397 397 GLY GLY A . n A 1 57 TYR 57 398 398 TYR TYR A . n A 1 58 ILE 58 399 399 ILE ILE A . n A 1 59 TYR 59 400 400 TYR TYR A . n A 1 60 THR 60 401 401 THR THR A . n A 1 61 ALA 61 402 402 ALA ALA A . n A 1 62 GLY 62 403 403 GLY GLY A . n A 1 63 LYS 63 404 404 LYS LYS A . n A 1 64 CYS 64 405 405 CYS CYS A . n A 1 65 GLY 65 406 406 GLY GLY A . n A 1 66 LEU 66 407 407 LEU LEU A . n A 1 67 VAL 67 408 408 VAL VAL A . n A 1 68 PRO 68 409 409 PRO PRO A . n A 1 69 VAL 69 410 410 VAL VAL A . n A 1 70 LEU 70 411 411 LEU LEU A . n A 1 71 ALA 71 412 412 ALA ALA A . n A 1 72 GLU 72 413 413 GLU GLU A . n A 1 73 ASN 73 414 414 ASN ASN A . n A 1 74 ARG 74 415 415 ARG ARG A . n A 1 75 LYS 75 416 416 LYS LYS A . n A 1 76 SER 76 417 417 SER SER A . n A 1 77 SER 77 418 418 SER SER A . n A 1 78 LYS 78 419 419 LYS LYS A . n A 1 79 HIS 79 420 420 HIS HIS A . n A 1 80 SER 80 421 421 SER SER A . n A 1 81 SER 81 422 422 SER SER A . n A 1 82 LEU 82 423 423 LEU LEU A . n A 1 83 ASP 83 424 424 ASP ASP A . n A 1 84 CYS 84 425 425 CYS CYS A . n A 1 85 VAL 85 426 426 VAL VAL A . n A 1 86 LEU 86 427 427 LEU LEU A . n A 1 87 ARG 87 428 428 ARG ARG A . n A 1 88 PRO 88 429 429 PRO PRO A . n A 1 89 THR 89 430 430 THR THR A . n A 1 90 GLU 90 431 431 GLU GLU A . n A 1 91 GLY 91 432 432 GLY GLY A . n A 1 92 TYR 92 433 433 TYR TYR A . n A 1 93 LEU 93 434 434 LEU LEU A . n A 1 94 ALA 94 435 435 ALA ALA A . n A 1 95 VAL 95 436 436 VAL VAL A . n A 1 96 ALA 96 437 437 ALA ALA A . n A 1 97 VAL 97 438 438 VAL VAL A . n A 1 98 VAL 98 439 439 VAL VAL A . n A 1 99 LYS 99 440 440 LYS LYS A . n A 1 100 LYS 100 441 441 LYS LYS A . n A 1 101 ALA 101 442 442 ALA ALA A . n A 1 102 ASN 102 443 443 ASN ASN A . n A 1 103 GLU 103 444 444 GLU GLU A . n A 1 104 GLY 104 445 445 GLY GLY A . n A 1 105 LEU 105 446 446 LEU LEU A . n A 1 106 THR 106 447 447 THR THR A . n A 1 107 TRP 107 448 448 TRP TRP A . n A 1 108 ASN 108 449 449 ASN ASN A . n A 1 109 SER 109 450 450 SER SER A . n A 1 110 LEU 110 451 451 LEU LEU A . n A 1 111 LYS 111 452 452 LYS LYS A . n A 1 112 ASP 112 453 453 ASP ASP A . n A 1 113 LYS 113 454 454 LYS LYS A . n A 1 114 LYS 114 455 455 LYS LYS A . n A 1 115 SER 115 456 456 SER SER A . n A 1 116 CYS 116 457 457 CYS CYS A . n A 1 117 HIS 117 458 458 HIS HIS A . n A 1 118 THR 118 459 459 THR THR A . n A 1 119 ALA 119 460 460 ALA ALA A . n A 1 120 VAL 120 461 461 VAL VAL A . n A 1 121 ASP 121 462 462 ASP ASP A . n A 1 122 ARG 122 463 463 ARG ARG A . n A 1 123 THR 123 464 464 THR THR A . n A 1 124 ALA 124 465 465 ALA ALA A . n A 1 125 GLY 125 466 466 GLY GLY A . n A 1 126 TRP 126 467 467 TRP TRP A . n A 1 127 ASN 127 468 468 ASN ASN A . n A 1 128 ILE 128 469 469 ILE ILE A . n A 1 129 PRO 129 470 470 PRO PRO A . n A 1 130 MET 130 471 471 MET MET A . n A 1 131 GLY 131 472 472 GLY GLY A . n A 1 132 LEU 132 473 473 LEU LEU A . n A 1 133 ILE 133 474 474 ILE ILE A . n A 1 134 VAL 134 475 475 VAL VAL A . n A 1 135 ASN 135 476 476 ASN ASN A . n A 1 136 GLN 136 477 477 GLN GLN A . n A 1 137 THR 137 478 478 THR THR A . n A 1 138 GLY 138 479 479 GLY GLY A . n A 1 139 SER 139 480 480 SER SER A . n A 1 140 CYS 140 481 481 CYS CYS A . n A 1 141 ALA 141 482 482 ALA ALA A . n A 1 142 PHE 142 483 483 PHE PHE A . n A 1 143 ASP 143 484 484 ASP ASP A . n A 1 144 GLU 144 485 485 GLU GLU A . n A 1 145 PHE 145 486 486 PHE PHE A . n A 1 146 PHE 146 487 487 PHE PHE A . n A 1 147 SER 147 488 488 SER SER A . n A 1 148 GLN 148 489 489 GLN GLN A . n A 1 149 SER 149 490 490 SER SER A . n A 1 150 CYS 150 491 491 CYS CYS A . n A 1 151 ALA 151 492 492 ALA ALA A . n A 1 152 PRO 152 493 493 PRO PRO A . n A 1 153 GLY 153 494 494 GLY GLY A . n A 1 154 ALA 154 495 495 ALA ALA A . n A 1 155 ASP 155 496 496 ASP ASP A . n A 1 156 PRO 156 497 497 PRO PRO A . n A 1 157 LYS 157 498 498 LYS LYS A . n A 1 158 SER 158 499 499 SER SER A . n A 1 159 ARG 159 500 500 ARG ARG A . n A 1 160 LEU 160 501 501 LEU LEU A . n A 1 161 CYS 161 502 502 CYS CYS A . n A 1 162 ALA 162 503 503 ALA ALA A . n A 1 163 LEU 163 504 504 LEU LEU A . n A 1 164 CYS 164 505 505 CYS CYS A . n A 1 165 ALA 165 506 506 ALA ALA A . n A 1 166 GLY 166 507 507 GLY GLY A . n A 1 167 ASP 167 508 508 ASP ASP A . n A 1 168 ASP 168 509 509 ASP ASP A . n A 1 169 GLN 169 510 510 GLN GLN A . n A 1 170 GLY 170 511 511 GLY GLY A . n A 1 171 LEU 171 512 512 LEU LEU A . n A 1 172 ASP 172 513 513 ASP ASP A . n A 1 173 LYS 173 514 514 LYS LYS A . n A 1 174 CYS 174 515 515 CYS CYS A . n A 1 175 VAL 175 516 516 VAL VAL A . n A 1 176 PRO 176 517 517 PRO PRO A . n A 1 177 ASN 177 518 518 ASN ASN A . n A 1 178 SER 178 519 519 SER SER A . n A 1 179 LYS 179 520 520 LYS LYS A . n A 1 180 GLU 180 521 521 GLU GLU A . n A 1 181 LYS 181 522 522 LYS LYS A . n A 1 182 TYR 182 523 523 TYR TYR A . n A 1 183 TYR 183 524 524 TYR TYR A . n A 1 184 GLY 184 525 525 GLY GLY A . n A 1 185 TYR 185 526 526 TYR TYR A . n A 1 186 THR 186 527 527 THR THR A . n A 1 187 GLY 187 528 528 GLY GLY A . n A 1 188 ALA 188 529 529 ALA ALA A . n A 1 189 PHE 189 530 530 PHE PHE A . n A 1 190 ARG 190 531 531 ARG ARG A . n A 1 191 CYS 191 532 532 CYS CYS A . n A 1 192 LEU 192 533 533 LEU LEU A . n A 1 193 ALA 193 534 534 ALA ALA A . n A 1 194 GLU 194 535 535 GLU GLU A . n A 1 195 ASP 195 536 536 ASP ASP A . n A 1 196 VAL 196 537 537 VAL VAL A . n A 1 197 GLY 197 538 538 GLY GLY A . n A 1 198 ASP 198 539 539 ASP ASP A . n A 1 199 VAL 199 540 540 VAL VAL A . n A 1 200 ALA 200 541 541 ALA ALA A . n A 1 201 PHE 201 542 542 PHE PHE A . n A 1 202 VAL 202 543 543 VAL VAL A . n A 1 203 LYS 203 544 544 LYS LYS A . n A 1 204 ASN 204 545 545 ASN ASN A . n A 1 205 ASP 205 546 546 ASP ASP A . n A 1 206 THR 206 547 547 THR THR A . n A 1 207 VAL 207 548 548 VAL VAL A . n A 1 208 TRP 208 549 549 TRP TRP A . n A 1 209 GLU 209 550 550 GLU GLU A . n A 1 210 ASN 210 551 551 ASN ASN A . n A 1 211 THR 211 552 552 THR THR A . n A 1 212 ASN 212 553 553 ASN ASN A . n A 1 213 GLY 213 554 554 GLY GLY A . n A 1 214 GLU 214 555 555 GLU GLU A . n A 1 215 SER 215 556 556 SER SER A . n A 1 216 THR 216 557 557 THR THR A . n A 1 217 ALA 217 558 558 ALA ALA A . n A 1 218 ASP 218 559 559 ASP ASP A . n A 1 219 TRP 219 560 560 TRP TRP A . n A 1 220 ALA 220 561 561 ALA ALA A . n A 1 221 LYS 221 562 562 LYS LYS A . n A 1 222 ASN 222 563 563 ASN ASN A . n A 1 223 LEU 223 564 564 LEU LEU A . n A 1 224 LYS 224 565 565 LYS LYS A . n A 1 225 ARG 225 566 566 ARG ARG A . n A 1 226 GLU 226 567 567 GLU GLU A . n A 1 227 ASP 227 568 568 ASP ASP A . n A 1 228 PHE 228 569 569 PHE PHE A . n A 1 229 ARG 229 570 570 ARG ARG A . n A 1 230 LEU 230 571 571 LEU LEU A . n A 1 231 LEU 231 572 572 LEU LEU A . n A 1 232 CYS 232 573 573 CYS CYS A . n A 1 233 LEU 233 574 574 LEU LEU A . n A 1 234 ASP 234 575 575 ASP ASP A . n A 1 235 GLY 235 576 576 GLY GLY A . n A 1 236 THR 236 577 577 THR THR A . n A 1 237 ARG 237 578 578 ARG ARG A . n A 1 238 LYS 238 579 579 LYS LYS A . n A 1 239 PRO 239 580 580 PRO PRO A . n A 1 240 VAL 240 581 581 VAL VAL A . n A 1 241 THR 241 582 582 THR THR A . n A 1 242 GLU 242 583 583 GLU GLU A . n A 1 243 ALA 243 584 584 ALA ALA A . n A 1 244 GLN 244 585 585 GLN GLN A . n A 1 245 SER 245 586 586 SER SER A . n A 1 246 CYS 246 587 587 CYS CYS A . n A 1 247 HIS 247 588 588 HIS HIS A . n A 1 248 LEU 248 589 589 LEU LEU A . n A 1 249 ALA 249 590 590 ALA ALA A . n A 1 250 VAL 250 591 591 VAL VAL A . n A 1 251 ALA 251 592 592 ALA ALA A . n A 1 252 PRO 252 593 593 PRO PRO A . n A 1 253 ASN 253 594 594 ASN ASN A . n A 1 254 HIS 254 595 595 HIS HIS A . n A 1 255 ALA 255 596 596 ALA ALA A . n A 1 256 VAL 256 597 597 VAL VAL A . n A 1 257 VAL 257 598 598 VAL VAL A . n A 1 258 SER 258 599 599 SER SER A . n A 1 259 ARG 259 600 600 ARG ARG A . n A 1 260 SER 260 601 601 SER SER A . n A 1 261 ASP 261 602 602 ASP ASP A . n A 1 262 ARG 262 603 603 ARG ARG A . n A 1 263 ALA 263 604 604 ALA ALA A . n A 1 264 ALA 264 605 605 ALA ALA A . n A 1 265 HIS 265 606 606 HIS HIS A . n A 1 266 VAL 266 607 607 VAL VAL A . n A 1 267 GLU 267 608 608 GLU GLU A . n A 1 268 GLN 268 609 609 GLN GLN A . n A 1 269 VAL 269 610 610 VAL VAL A . n A 1 270 LEU 270 611 611 LEU LEU A . n A 1 271 LEU 271 612 612 LEU LEU A . n A 1 272 HIS 272 613 613 HIS HIS A . n A 1 273 GLN 273 614 614 GLN GLN A . n A 1 274 GLN 274 615 615 GLN GLN A . n A 1 275 ALA 275 616 616 ALA ALA A . n A 1 276 LEU 276 617 617 LEU LEU A . n A 1 277 PHE 277 618 618 PHE PHE A . n A 1 278 GLY 278 619 619 GLY GLY A . n A 1 279 LYS 279 620 620 LYS LYS A . n A 1 280 ASN 280 621 621 ASN ASN A . n A 1 281 GLY 281 622 622 GLY GLY A . n A 1 282 LYS 282 623 623 LYS LYS A . n A 1 283 ASN 283 624 624 ASN ASN A . n A 1 284 CYS 284 625 625 CYS CYS A . n A 1 285 PRO 285 626 626 PRO PRO A . n A 1 286 ASP 286 627 627 ASP ASP A . n A 1 287 LYS 287 628 628 LYS LYS A . n A 1 288 PHE 288 629 629 PHE PHE A . n A 1 289 CYS 289 630 630 CYS CYS A . n A 1 290 LEU 290 631 631 LEU LEU A . n A 1 291 PHE 291 632 632 PHE PHE A . n A 1 292 LYS 292 633 633 LYS LYS A . n A 1 293 SER 293 634 634 SER SER A . n A 1 294 GLU 294 635 635 GLU GLU A . n A 1 295 THR 295 636 636 THR THR A . n A 1 296 LYS 296 637 637 LYS LYS A . n A 1 297 ASN 297 638 638 ASN ASN A . n A 1 298 LEU 298 639 639 LEU LEU A . n A 1 299 LEU 299 640 640 LEU LEU A . n A 1 300 PHE 300 641 641 PHE PHE A . n A 1 301 ASN 301 642 642 ASN ASN A . n A 1 302 ASP 302 643 643 ASP ASP A . n A 1 303 ASN 303 644 644 ASN ASN A . n A 1 304 THR 304 645 645 THR THR A . n A 1 305 GLU 305 646 646 GLU GLU A . n A 1 306 CYS 306 647 647 CYS CYS A . n A 1 307 LEU 307 648 648 LEU LEU A . n A 1 308 ALA 308 649 649 ALA ALA A . n A 1 309 LYS 309 650 650 LYS LYS A . n A 1 310 LEU 310 651 651 LEU LEU A . n A 1 311 GLY 311 652 652 GLY GLY A . n A 1 312 GLY 312 653 653 GLY GLY A . n A 1 313 ARG 313 654 654 ARG ARG A . n A 1 314 PRO 314 655 655 PRO PRO A . n A 1 315 THR 315 656 656 THR THR A . n A 1 316 TYR 316 657 657 TYR TYR A . n A 1 317 GLU 317 658 658 GLU GLU A . n A 1 318 GLU 318 659 659 GLU GLU A . n A 1 319 TYR 319 660 660 TYR TYR A . n A 1 320 LEU 320 661 661 LEU LEU A . n A 1 321 GLY 321 662 662 GLY GLY A . n A 1 322 THR 322 663 663 THR THR A . n A 1 323 GLU 323 664 664 GLU GLU A . n A 1 324 TYR 324 665 665 TYR TYR A . n A 1 325 VAL 325 666 666 VAL VAL A . n A 1 326 THR 326 667 667 THR THR A . n A 1 327 ALA 327 668 668 ALA ALA A . n A 1 328 ILE 328 669 669 ILE ILE A . n A 1 329 ALA 329 670 670 ALA ALA A . n A 1 330 ASN 330 671 671 ASN ASN A . n A 1 331 LEU 331 672 672 LEU LEU A . n A 1 332 LYS 332 673 673 LYS LYS A . n A 1 333 LYS 333 674 674 LYS LYS A . n A 1 334 CYS 334 675 675 CYS CYS A . n A 1 335 SER 335 676 676 SER SER A . n A 1 336 THR 336 677 ? ? ? A . n A 1 337 SER 337 678 ? ? ? A . n A 1 338 PRO 338 679 ? ? ? A . n A 1 339 LEU 339 680 ? ? ? A . n A 1 340 LEU 340 681 681 LEU LEU A . n A 1 341 GLU 341 682 682 GLU GLU A . n A 1 342 ALA 342 683 683 ALA ALA A . n A 1 343 CYS 343 684 684 CYS CYS A . n A 1 344 ALA 344 685 685 ALA ALA A . n A 1 345 PHE 345 686 686 PHE PHE A . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 NAG 1 1 1 NAG NAG A . C 2 NAG 2 2 2 NAG NAG A . D 2 NAG 1 687 1 NAG NAG A . E 2 NAG 2 688 2 NAG NAG A . F 3 BMA 3 689 3 BMA MAN A . G 3 BMA 4 690 4 BMA MAN A . H 2 NAG 1 691 1 NAG NAG A . I 4 NDG 2 692 2 NDG NAG A . J 3 BMA 3 693 3 BMA MAN A . K 5 RIP 1 694 1 RIP RIP A . L 5 RIP 1 695 2 RIP RIP A . M 6 FE 1 1001 1001 FE FE A . N 7 CO3 1 201 1 CO3 CO3 A . O 8 ZN 1 301 1 ZN ZN A . P 8 ZN 1 302 2 ZN ZN A . Q 9 SO4 1 1002 1 SO4 SO4 A . R 10 HOH 1 1003 1 HOH HOH A . R 10 HOH 2 1004 2 HOH HOH A . R 10 HOH 3 1005 3 HOH HOH A . R 10 HOH 4 1006 4 HOH HOH A . R 10 HOH 5 1007 5 HOH HOH A . R 10 HOH 6 1008 6 HOH HOH A . R 10 HOH 7 1009 7 HOH HOH A . R 10 HOH 8 1010 8 HOH HOH A . R 10 HOH 9 1011 9 HOH HOH A . R 10 HOH 10 1012 10 HOH HOH A . R 10 HOH 11 1013 11 HOH HOH A . R 10 HOH 12 1014 12 HOH HOH A . R 10 HOH 13 1015 13 HOH HOH A . R 10 HOH 14 1016 14 HOH HOH A . R 10 HOH 15 1017 15 HOH HOH A . R 10 HOH 16 1018 16 HOH HOH A . R 10 HOH 17 1019 17 HOH HOH A . R 10 HOH 18 1020 18 HOH HOH A . R 10 HOH 19 1021 19 HOH HOH A . R 10 HOH 20 1022 20 HOH HOH A . R 10 HOH 21 1023 21 HOH HOH A . R 10 HOH 22 1024 22 HOH HOH A . R 10 HOH 23 1025 23 HOH HOH A . R 10 HOH 24 1026 24 HOH HOH A . R 10 HOH 25 1027 25 HOH HOH A . R 10 HOH 26 1028 26 HOH HOH A . R 10 HOH 27 1029 27 HOH HOH A . R 10 HOH 28 1030 28 HOH HOH A . R 10 HOH 29 1031 29 HOH HOH A . R 10 HOH 30 1032 30 HOH HOH A . R 10 HOH 31 1033 32 HOH HOH A . R 10 HOH 32 1034 33 HOH HOH A . R 10 HOH 33 1035 34 HOH HOH A . R 10 HOH 34 1036 35 HOH HOH A . R 10 HOH 35 1037 36 HOH HOH A . R 10 HOH 36 1038 37 HOH HOH A . R 10 HOH 37 1039 39 HOH HOH A . R 10 HOH 38 1040 40 HOH HOH A . R 10 HOH 39 1041 41 HOH HOH A . R 10 HOH 40 1042 42 HOH HOH A . R 10 HOH 41 1043 43 HOH HOH A . R 10 HOH 42 1044 44 HOH HOH A . R 10 HOH 43 1045 45 HOH HOH A . R 10 HOH 44 1046 46 HOH HOH A . R 10 HOH 45 1047 47 HOH HOH A . R 10 HOH 46 1048 48 HOH HOH A . R 10 HOH 47 1049 49 HOH HOH A . R 10 HOH 48 1050 50 HOH HOH A . R 10 HOH 49 1051 51 HOH HOH A . R 10 HOH 50 1052 52 HOH HOH A . R 10 HOH 51 1053 53 HOH HOH A . R 10 HOH 52 1054 54 HOH HOH A . R 10 HOH 53 1055 55 HOH HOH A . R 10 HOH 54 1056 56 HOH HOH A . R 10 HOH 55 1057 57 HOH HOH A . R 10 HOH 56 1058 58 HOH HOH A . R 10 HOH 57 1059 59 HOH HOH A . R 10 HOH 58 1060 60 HOH HOH A . R 10 HOH 59 1061 61 HOH HOH A . R 10 HOH 60 1062 62 HOH HOH A . R 10 HOH 61 1063 64 HOH HOH A . R 10 HOH 62 1064 65 HOH HOH A . R 10 HOH 63 1065 66 HOH HOH A . R 10 HOH 64 1066 67 HOH HOH A . R 10 HOH 65 1067 68 HOH HOH A . R 10 HOH 66 1068 69 HOH HOH A . R 10 HOH 67 1069 70 HOH HOH A . R 10 HOH 68 1070 71 HOH HOH A . R 10 HOH 69 1071 72 HOH HOH A . R 10 HOH 70 1072 73 HOH HOH A . R 10 HOH 71 1073 74 HOH HOH A . R 10 HOH 72 1074 75 HOH HOH A . R 10 HOH 73 1075 76 HOH HOH A . R 10 HOH 74 1076 77 HOH HOH A . R 10 HOH 75 1077 78 HOH HOH A . R 10 HOH 76 1078 79 HOH HOH A . R 10 HOH 77 1079 80 HOH HOH A . R 10 HOH 78 1080 81 HOH HOH A . R 10 HOH 79 1081 82 HOH HOH A . R 10 HOH 80 1082 83 HOH HOH A . R 10 HOH 81 1083 84 HOH HOH A . R 10 HOH 82 1084 85 HOH HOH A . R 10 HOH 83 1085 86 HOH HOH A . R 10 HOH 84 1086 87 HOH HOH A . R 10 HOH 85 1087 88 HOH HOH A . R 10 HOH 86 1088 89 HOH HOH A . R 10 HOH 87 1089 90 HOH HOH A . R 10 HOH 88 1090 91 HOH HOH A . R 10 HOH 89 1091 92 HOH HOH A . R 10 HOH 90 1092 93 HOH HOH A . R 10 HOH 91 1093 94 HOH HOH A . R 10 HOH 92 1094 95 HOH HOH A . R 10 HOH 93 1095 96 HOH HOH A . R 10 HOH 94 1096 98 HOH HOH A . R 10 HOH 95 1097 99 HOH HOH A . R 10 HOH 96 1098 100 HOH HOH A . R 10 HOH 97 1099 101 HOH HOH A . R 10 HOH 98 1100 102 HOH HOH A . R 10 HOH 99 1101 103 HOH HOH A . R 10 HOH 100 1102 104 HOH HOH A . R 10 HOH 101 1103 105 HOH HOH A . R 10 HOH 102 1104 106 HOH HOH A . R 10 HOH 103 1105 107 HOH HOH A . R 10 HOH 104 1106 108 HOH HOH A . R 10 HOH 105 1107 109 HOH HOH A . R 10 HOH 106 1108 110 HOH HOH A . R 10 HOH 107 1109 111 HOH HOH A . R 10 HOH 108 1110 112 HOH HOH A . R 10 HOH 109 1111 113 HOH HOH A . R 10 HOH 110 1112 114 HOH HOH A . R 10 HOH 111 1113 115 HOH HOH A . R 10 HOH 112 1114 116 HOH HOH A . R 10 HOH 113 1115 117 HOH HOH A . R 10 HOH 114 1116 118 HOH HOH A . R 10 HOH 115 1117 119 HOH HOH A . R 10 HOH 116 1118 120 HOH HOH A . R 10 HOH 117 1119 121 HOH HOH A . R 10 HOH 118 1120 122 HOH HOH A . R 10 HOH 119 1121 124 HOH HOH A . R 10 HOH 120 1122 125 HOH HOH A . R 10 HOH 121 1123 126 HOH HOH A . R 10 HOH 122 1124 127 HOH HOH A . R 10 HOH 123 1125 128 HOH HOH A . R 10 HOH 124 1126 129 HOH HOH A . R 10 HOH 125 1127 130 HOH HOH A . R 10 HOH 126 1128 131 HOH HOH A . R 10 HOH 127 1129 132 HOH HOH A . R 10 HOH 128 1130 133 HOH HOH A . R 10 HOH 129 1131 134 HOH HOH A . R 10 HOH 130 1132 135 HOH HOH A . R 10 HOH 131 1133 136 HOH HOH A . R 10 HOH 132 1134 137 HOH HOH A . R 10 HOH 133 1135 138 HOH HOH A . R 10 HOH 134 1136 139 HOH HOH A . R 10 HOH 135 1137 140 HOH HOH A . R 10 HOH 136 1138 141 HOH HOH A . R 10 HOH 137 1139 142 HOH HOH A . R 10 HOH 138 1140 143 HOH HOH A . R 10 HOH 139 1141 144 HOH HOH A . R 10 HOH 140 1142 145 HOH HOH A . R 10 HOH 141 1143 146 HOH HOH A . R 10 HOH 142 1144 147 HOH HOH A . R 10 HOH 143 1145 148 HOH HOH A . R 10 HOH 144 1146 149 HOH HOH A . R 10 HOH 145 1147 150 HOH HOH A . R 10 HOH 146 1148 151 HOH HOH A . R 10 HOH 147 1149 152 HOH HOH A . R 10 HOH 148 1150 153 HOH HOH A . R 10 HOH 149 1151 154 HOH HOH A . R 10 HOH 150 1152 155 HOH HOH A . R 10 HOH 151 1153 156 HOH HOH A . R 10 HOH 152 1154 157 HOH HOH A . R 10 HOH 153 1155 158 HOH HOH A . R 10 HOH 154 1156 159 HOH HOH A . R 10 HOH 155 1157 160 HOH HOH A . R 10 HOH 156 1158 161 HOH HOH A . R 10 HOH 157 1159 162 HOH HOH A . R 10 HOH 158 1160 163 HOH HOH A . R 10 HOH 159 1161 164 HOH HOH A . R 10 HOH 160 1162 165 HOH HOH A . R 10 HOH 161 1163 166 HOH HOH A . R 10 HOH 162 1164 167 HOH HOH A . R 10 HOH 163 1165 168 HOH HOH A . R 10 HOH 164 1166 169 HOH HOH A . R 10 HOH 165 1167 170 HOH HOH A . # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 A ASN 27 A ASN 368 ? ASN 'GLYCOSYLATION SITE' 2 A ASN 135 A ASN 476 ? ASN 'GLYCOSYLATION SITE' 3 A ASN 204 A ASN 545 ? ASN 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_defined_assembly _pdbx_struct_assembly.method_details ? _pdbx_struct_assembly.oligomeric_details monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R # _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 OE2 ? A GLU 318 ? A GLU 659 ? 1_555 ZN ? O ZN . ? A ZN 301 ? 1_555 OE1 ? A GLU 318 ? A GLU 659 ? 1_555 59.3 ? 2 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? M FE . ? A FE 1001 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 100.0 ? 3 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? M FE . ? A FE 1001 ? 1_555 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 87.6 ? 4 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 FE ? M FE . ? A FE 1001 ? 1_555 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 92.9 ? 5 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? M FE . ? A FE 1001 ? 1_555 O2 ? N CO3 . ? A CO3 201 ? 1_555 92.3 ? 6 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 FE ? M FE . ? A FE 1001 ? 1_555 O2 ? N CO3 . ? A CO3 201 ? 1_555 167.6 ? 7 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? M FE . ? A FE 1001 ? 1_555 O2 ? N CO3 . ? A CO3 201 ? 1_555 88.6 ? 8 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? M FE . ? A FE 1001 ? 1_555 O1 ? N CO3 . ? A CO3 201 ? 1_555 154.8 ? 9 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 FE ? M FE . ? A FE 1001 ? 1_555 O1 ? N CO3 . ? A CO3 201 ? 1_555 105.2 ? 10 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? M FE . ? A FE 1001 ? 1_555 O1 ? N CO3 . ? A CO3 201 ? 1_555 90.4 ? 11 O2 ? N CO3 . ? A CO3 201 ? 1_555 FE ? M FE . ? A FE 1001 ? 1_555 O1 ? N CO3 . ? A CO3 201 ? 1_555 62.5 ? 12 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? M FE . ? A FE 1001 ? 1_555 OH ? A TYR 185 ? A TYR 526 ? 1_555 96.0 ? 13 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 FE ? M FE . ? A FE 1001 ? 1_555 OH ? A TYR 185 ? A TYR 526 ? 1_555 83.5 ? 14 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? M FE . ? A FE 1001 ? 1_555 OH ? A TYR 185 ? A TYR 526 ? 1_555 175.3 ? 15 O2 ? N CO3 . ? A CO3 201 ? 1_555 FE ? M FE . ? A FE 1001 ? 1_555 OH ? A TYR 185 ? A TYR 526 ? 1_555 94.3 ? 16 O1 ? N CO3 . ? A CO3 201 ? 1_555 FE ? M FE . ? A FE 1001 ? 1_555 OH ? A TYR 185 ? A TYR 526 ? 1_555 87.7 ? # 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 2007-05-29 2 'Structure model' 1 1 2008-05-01 3 'Structure model' 1 2 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' 'Version format compliance' 2 3 'Structure model' 'Non-polymer description' 3 3 'Structure model' 'Version format compliance' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal CNS refinement 1.1 ? 1 HKL-2000 'data collection' . ? 2 DENZO 'data reduction' . ? 3 SCALEPACK 'data scaling' . ? 4 AMoRE phasing . ? 5 # _pdbx_database_remark.id 999 _pdbx_database_remark.text ;SEQUENCE The authors believe that the SEQRES is correct and is the true identity of these residues and is natural mutant. ; # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 O7 A NAG 1 ? ? O A HOH 1153 ? ? 2.01 2 1 O2 A BMA 693 ? ? O A HOH 1050 ? ? 2.02 # loop_ _pdbx_validate_rmsd_angle.id _pdbx_validate_rmsd_angle.PDB_model_num _pdbx_validate_rmsd_angle.auth_atom_id_1 _pdbx_validate_rmsd_angle.auth_asym_id_1 _pdbx_validate_rmsd_angle.auth_comp_id_1 _pdbx_validate_rmsd_angle.auth_seq_id_1 _pdbx_validate_rmsd_angle.PDB_ins_code_1 _pdbx_validate_rmsd_angle.label_alt_id_1 _pdbx_validate_rmsd_angle.auth_atom_id_2 _pdbx_validate_rmsd_angle.auth_asym_id_2 _pdbx_validate_rmsd_angle.auth_comp_id_2 _pdbx_validate_rmsd_angle.auth_seq_id_2 _pdbx_validate_rmsd_angle.PDB_ins_code_2 _pdbx_validate_rmsd_angle.label_alt_id_2 _pdbx_validate_rmsd_angle.auth_atom_id_3 _pdbx_validate_rmsd_angle.auth_asym_id_3 _pdbx_validate_rmsd_angle.auth_comp_id_3 _pdbx_validate_rmsd_angle.auth_seq_id_3 _pdbx_validate_rmsd_angle.PDB_ins_code_3 _pdbx_validate_rmsd_angle.label_alt_id_3 _pdbx_validate_rmsd_angle.angle_value _pdbx_validate_rmsd_angle.angle_target_value _pdbx_validate_rmsd_angle.angle_deviation _pdbx_validate_rmsd_angle.angle_standard_deviation _pdbx_validate_rmsd_angle.linker_flag 1 1 CA A TYR 342 ? ? CB A TYR 342 ? ? CG A TYR 342 ? ? 126.79 113.40 13.39 1.90 N 2 1 N A THR 343 ? ? CA A THR 343 ? ? C A THR 343 ? ? 135.17 111.00 24.17 2.70 N # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 THR A 343 ? ? -45.30 -2.89 2 1 HIS A 420 ? ? 71.87 63.70 3 1 TRP A 467 ? ? -147.43 -62.81 4 1 VAL A 543 ? ? -130.78 -157.77 5 1 THR A 557 ? ? 81.94 -20.70 6 1 LYS A 562 ? ? -26.40 -59.03 7 1 CYS A 625 ? ? -56.93 -87.40 8 1 SER A 634 ? ? -163.44 49.77 9 1 THR A 636 ? ? 85.45 15.23 10 1 LEU A 640 ? ? 70.06 -40.87 11 1 ARG A 654 ? ? 29.40 65.39 12 1 ALA A 683 ? ? 161.29 151.88 13 1 ALA A 685 ? ? -64.57 7.26 # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 A THR 677 ? A THR 336 2 1 Y 1 A SER 678 ? A SER 337 3 1 Y 1 A PRO 679 ? A PRO 338 4 1 Y 1 A LEU 680 ? A LEU 339 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 BETA-D-MANNOSE BMA 4 '2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE' NDG 5 'RIBOSE(PYRANOSE FORM)' RIP 6 'FE (III) ION' FE 7 'CARBONATE ION' CO3 8 'ZINC ION' ZN 9 'SULFATE ION' SO4 10 water HOH #