data_3CFL # _entry.id 3CFL # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.281 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 3CFL RCSB RCSB046715 WWPDB D_1000046715 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 2dyx . unspecified PDB 2r9j . unspecified PDB 2px1 . unspecified PDB 2qz1 . unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 3CFL _pdbx_database_status.recvd_initial_deposition_date 2008-03-04 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site PDBJ _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_cs ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Mir, R.' 1 'Vikram, G.' 2 'Singh, N.' 3 'Sharma, S.' 4 'Kaur, P.' 5 'Singh, T.P.' 6 # _citation.id primary _citation.title ;Crystal structure of the complex formed between C-lobe of bovine lactoferrin and 5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine at 2.25 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 'Singh, N.' 3 primary 'Sharma, S.' 4 primary 'Kaur, P.' 5 primary 'Singh, T.P.' 6 # _cell.entry_id 3CFL _cell.length_a 63.514 _cell.length_b 50.395 _cell.length_c 65.863 _cell.angle_alpha 90.00 _cell.angle_beta 107.97 _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 3CFL _symmetry.space_group_name_H-M 'P 1 21 1' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 4 _symmetry.space_group_name_Hall ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer nat Lactotransferrin 37655.504 1 3.4.21.- ? C-lobe ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 6 ? ? ? ? 3 non-polymer syn 'FE (III) ION' 55.845 1 ? ? ? ? 4 non-polymer syn 'CARBONATE ION' 60.009 1 ? ? ? ? 5 non-polymer syn 'ZINC ION' 65.409 2 ? ? ? ? 6 non-polymer syn 'SULFATE ION' 96.063 1 ? ? ? ? 7 non-polymer syn "5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine" 358.842 1 ? ? ? ? 8 water nat water 18.015 190 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name Lactoferrin # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no _entity_poly.pdbx_seq_one_letter_code ;YTRVVWCAVGPEEQKKCQQWSQQSGQNVTCATASTTDDCIVLVLKGEADALNLDGGYIYTAGKCGLVPVLAENRKSSKHS SLDCVLRPTEGYLAVAVVKKANEGLTWNSLKDKKSCHTAVDRTAGWNIPMGLIVNQTGSCAFDEFFSQSCAPGADPKSRL CALCAGDDQGLDKCVPNSKEKYYGYTGAFRCLAEDVGDVAFVKNDTVWENTNGESTADWAKNLKREDFRLLCLDGTRKPV TEAQSCHLAVAPNHAVVSRSDRAAHVEQVLLHQQALFGKNGKNCPDKFCLFKSETKNLLFNDNTECLAKLGGRPTYEEYL GTEYVTAIANLKKCSTSPLLEACAF ; _entity_poly.pdbx_seq_one_letter_code_can ;YTRVVWCAVGPEEQKKCQQWSQQSGQNVTCATASTTDDCIVLVLKGEADALNLDGGYIYTAGKCGLVPVLAENRKSSKHS SLDCVLRPTEGYLAVAVVKKANEGLTWNSLKDKKSCHTAVDRTAGWNIPMGLIVNQTGSCAFDEFFSQSCAPGADPKSRL CALCAGDDQGLDKCVPNSKEKYYGYTGAFRCLAEDVGDVAFVKNDTVWENTNGESTADWAKNLKREDFRLLCLDGTRKPV TEAQSCHLAVAPNHAVVSRSDRAAHVEQVLLHQQALFGKNGKNCPDKFCLFKSETKNLLFNDNTECLAKLGGRPTYEEYL GTEYVTAIANLKKCSTSPLLEACAF ; _entity_poly.pdbx_strand_id A _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 TYR n 1 2 THR n 1 3 ARG n 1 4 VAL n 1 5 VAL n 1 6 TRP n 1 7 CYS n 1 8 ALA n 1 9 VAL n 1 10 GLY n 1 11 PRO n 1 12 GLU n 1 13 GLU n 1 14 GLN n 1 15 LYS n 1 16 LYS n 1 17 CYS n 1 18 GLN n 1 19 GLN n 1 20 TRP n 1 21 SER n 1 22 GLN n 1 23 GLN n 1 24 SER n 1 25 GLY n 1 26 GLN n 1 27 ASN n 1 28 VAL n 1 29 THR n 1 30 CYS n 1 31 ALA n 1 32 THR n 1 33 ALA n 1 34 SER n 1 35 THR n 1 36 THR n 1 37 ASP n 1 38 ASP n 1 39 CYS n 1 40 ILE n 1 41 VAL n 1 42 LEU n 1 43 VAL n 1 44 LEU n 1 45 LYS n 1 46 GLY n 1 47 GLU n 1 48 ALA n 1 49 ASP n 1 50 ALA n 1 51 LEU n 1 52 ASN n 1 53 LEU n 1 54 ASP n 1 55 GLY n 1 56 GLY n 1 57 TYR n 1 58 ILE n 1 59 TYR n 1 60 THR n 1 61 ALA n 1 62 GLY n 1 63 LYS n 1 64 CYS n 1 65 GLY n 1 66 LEU n 1 67 VAL n 1 68 PRO n 1 69 VAL n 1 70 LEU n 1 71 ALA n 1 72 GLU n 1 73 ASN n 1 74 ARG n 1 75 LYS n 1 76 SER n 1 77 SER n 1 78 LYS n 1 79 HIS n 1 80 SER n 1 81 SER n 1 82 LEU n 1 83 ASP n 1 84 CYS n 1 85 VAL n 1 86 LEU n 1 87 ARG n 1 88 PRO n 1 89 THR n 1 90 GLU n 1 91 GLY n 1 92 TYR n 1 93 LEU n 1 94 ALA n 1 95 VAL n 1 96 ALA n 1 97 VAL n 1 98 VAL n 1 99 LYS n 1 100 LYS n 1 101 ALA n 1 102 ASN n 1 103 GLU n 1 104 GLY n 1 105 LEU n 1 106 THR n 1 107 TRP n 1 108 ASN n 1 109 SER n 1 110 LEU n 1 111 LYS n 1 112 ASP n 1 113 LYS n 1 114 LYS n 1 115 SER n 1 116 CYS n 1 117 HIS n 1 118 THR n 1 119 ALA n 1 120 VAL n 1 121 ASP n 1 122 ARG n 1 123 THR n 1 124 ALA n 1 125 GLY n 1 126 TRP n 1 127 ASN n 1 128 ILE n 1 129 PRO n 1 130 MET n 1 131 GLY n 1 132 LEU n 1 133 ILE n 1 134 VAL n 1 135 ASN n 1 136 GLN n 1 137 THR n 1 138 GLY n 1 139 SER n 1 140 CYS n 1 141 ALA n 1 142 PHE n 1 143 ASP n 1 144 GLU n 1 145 PHE n 1 146 PHE n 1 147 SER n 1 148 GLN n 1 149 SER n 1 150 CYS n 1 151 ALA n 1 152 PRO n 1 153 GLY n 1 154 ALA n 1 155 ASP n 1 156 PRO n 1 157 LYS n 1 158 SER n 1 159 ARG n 1 160 LEU n 1 161 CYS n 1 162 ALA n 1 163 LEU n 1 164 CYS n 1 165 ALA n 1 166 GLY n 1 167 ASP n 1 168 ASP n 1 169 GLN n 1 170 GLY n 1 171 LEU n 1 172 ASP n 1 173 LYS n 1 174 CYS n 1 175 VAL n 1 176 PRO n 1 177 ASN n 1 178 SER n 1 179 LYS n 1 180 GLU n 1 181 LYS n 1 182 TYR n 1 183 TYR n 1 184 GLY n 1 185 TYR n 1 186 THR n 1 187 GLY n 1 188 ALA n 1 189 PHE n 1 190 ARG n 1 191 CYS n 1 192 LEU n 1 193 ALA n 1 194 GLU n 1 195 ASP n 1 196 VAL n 1 197 GLY n 1 198 ASP n 1 199 VAL n 1 200 ALA n 1 201 PHE n 1 202 VAL n 1 203 LYS n 1 204 ASN n 1 205 ASP n 1 206 THR n 1 207 VAL n 1 208 TRP n 1 209 GLU n 1 210 ASN n 1 211 THR n 1 212 ASN n 1 213 GLY n 1 214 GLU n 1 215 SER n 1 216 THR n 1 217 ALA n 1 218 ASP n 1 219 TRP n 1 220 ALA n 1 221 LYS n 1 222 ASN n 1 223 LEU n 1 224 LYS n 1 225 ARG n 1 226 GLU n 1 227 ASP n 1 228 PHE n 1 229 ARG n 1 230 LEU n 1 231 LEU n 1 232 CYS n 1 233 LEU n 1 234 ASP n 1 235 GLY n 1 236 THR n 1 237 ARG n 1 238 LYS n 1 239 PRO n 1 240 VAL n 1 241 THR n 1 242 GLU n 1 243 ALA n 1 244 GLN n 1 245 SER n 1 246 CYS n 1 247 HIS n 1 248 LEU n 1 249 ALA n 1 250 VAL n 1 251 ALA n 1 252 PRO n 1 253 ASN n 1 254 HIS n 1 255 ALA n 1 256 VAL n 1 257 VAL n 1 258 SER n 1 259 ARG n 1 260 SER n 1 261 ASP n 1 262 ARG n 1 263 ALA n 1 264 ALA n 1 265 HIS n 1 266 VAL n 1 267 GLU n 1 268 GLN n 1 269 VAL n 1 270 LEU n 1 271 LEU n 1 272 HIS n 1 273 GLN n 1 274 GLN n 1 275 ALA n 1 276 LEU n 1 277 PHE n 1 278 GLY n 1 279 LYS n 1 280 ASN n 1 281 GLY n 1 282 LYS n 1 283 ASN n 1 284 CYS n 1 285 PRO n 1 286 ASP n 1 287 LYS n 1 288 PHE n 1 289 CYS n 1 290 LEU n 1 291 PHE n 1 292 LYS n 1 293 SER n 1 294 GLU n 1 295 THR n 1 296 LYS n 1 297 ASN n 1 298 LEU n 1 299 LEU n 1 300 PHE n 1 301 ASN n 1 302 ASP n 1 303 ASN n 1 304 THR n 1 305 GLU n 1 306 CYS n 1 307 LEU n 1 308 ALA n 1 309 LYS n 1 310 LEU n 1 311 GLY n 1 312 GLY n 1 313 ARG n 1 314 PRO n 1 315 THR n 1 316 TYR n 1 317 GLU n 1 318 GLU n 1 319 TYR n 1 320 LEU n 1 321 GLY n 1 322 THR n 1 323 GLU n 1 324 TYR n 1 325 VAL n 1 326 THR n 1 327 ALA n 1 328 ILE n 1 329 ALA n 1 330 ASN n 1 331 LEU n 1 332 LYS n 1 333 LYS n 1 334 CYS n 1 335 SER n 1 336 THR n 1 337 SER n 1 338 PRO n 1 339 LEU n 1 340 LEU n 1 341 GLU n 1 342 ALA n 1 343 CYS n 1 344 ALA n 1 345 PHE n # _entity_src_nat.entity_id 1 _entity_src_nat.pdbx_src_id 1 _entity_src_nat.pdbx_alt_source_flag sample _entity_src_nat.pdbx_beg_seq_num ? _entity_src_nat.pdbx_end_seq_num ? _entity_src_nat.common_name cattle _entity_src_nat.pdbx_organism_scientific 'Bos taurus' _entity_src_nat.pdbx_ncbi_taxonomy_id 9913 _entity_src_nat.genus Bos _entity_src_nat.species ? _entity_src_nat.strain ? _entity_src_nat.tissue ? _entity_src_nat.tissue_fraction ? _entity_src_nat.pdbx_secretion Milk _entity_src_nat.pdbx_fragment ? _entity_src_nat.pdbx_variant ? _entity_src_nat.pdbx_cell_line ? _entity_src_nat.pdbx_atcc ? _entity_src_nat.pdbx_cellular_location ? _entity_src_nat.pdbx_organ ? _entity_src_nat.pdbx_organelle ? _entity_src_nat.pdbx_cell ? _entity_src_nat.pdbx_plasmid_name ? _entity_src_nat.pdbx_plasmid_details ? _entity_src_nat.details ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code TRFL_BOVIN _struct_ref.pdbx_db_accession P24627 _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;YTRVVWCAVGPEEQKKCQQWSQQSGQNVTCATASTTDDCIVLVLKGEADALNLDGGYIYTAGKCGLVPVLAENRKSSKHS SLDCVLRPTEGYLAVAVVKKANEGLTWNSLKDKKSCHTAVDRTAGWNIPMGLIVNQTGSCAFDEFFSQSCAPGADPKSRL CALCAGDDQGLDKCVPNSKEKYYGYTGAFRCLAEDVGDVAFVKNDTVWENTNGESTADWAKNLNREDFRLLCLDGTRKPV TEAQSCHLAVAPNHAVVSRSDRAAHVKQVLLHQQALFGKNGKNCPDKFCLFKSETKNLLFNDNTECLAKLGGRPTYEEYL GTEYVTAIANLKKCSTSPLLEACAF ; _struct_ref.pdbx_align_begin 361 _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 3CFL _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 3CFL LYS A 224 ? UNP P24627 ASN 584 'SEE REMARK 999' 565 1 1 3CFL 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 5CH non-polymer . "5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine" ? 'C18 H15 Cl N2 O2 S' 358.842 ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CO3 non-polymer . 'CARBONATE ION' ? 'C O3 -2' 60.009 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 FE non-polymer . 'FE (III) ION' ? 'Fe 3' 55.845 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 SO4 non-polymer . 'SULFATE ION' ? 'O4 S -2' 96.063 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 ZN non-polymer . 'ZINC ION' ? 'Zn 2' 65.409 # _exptl.entry_id 3CFL _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.66 _exptl_crystal.density_percent_sol 53.81 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.temp 298 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 6.5 _exptl_crystal_grow.pdbx_details '0.01M ZnSO4, 0.1M MES, 25% PEG, Monomethyl Ether 550, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K' _exptl_crystal_grow.pdbx_pH_range . # _diffrn.id 1 _diffrn.ambient_temp 300 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector 'IMAGE PLATE' _diffrn_detector.type MARRESEARCH _diffrn_detector.pdbx_collection_date 2007-11-20 _diffrn_detector.details MIRROR # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator GRAPHITE _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.5418 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source 'ROTATING ANODE' _diffrn_source.type 'RIGAKU RU300' _diffrn_source.pdbx_synchrotron_site ? _diffrn_source.pdbx_synchrotron_beamline ? _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 1.5418 # _reflns.entry_id 3CFL _reflns.observed_criterion_sigma_F 0.0 _reflns.observed_criterion_sigma_I 0.0 _reflns.d_resolution_high 2.25 _reflns.d_resolution_low 20.0 _reflns.number_all 19072 _reflns.number_obs 17086 _reflns.percent_possible_obs 94.6 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value 0.106 _reflns.pdbx_netI_over_sigmaI 7.9 _reflns.B_iso_Wilson_estimate 31.3 _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 2.25 _reflns_shell.d_res_low 2.29 _reflns_shell.percent_possible_all 91.9 _reflns_shell.Rmerge_I_obs ? _reflns_shell.pdbx_Rsym_value 0.328 _reflns_shell.meanI_over_sigI_obs 1.8 _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 3CFL _refine.ls_number_reflns_obs 17086 _refine.ls_number_reflns_all 19072 _refine.pdbx_ls_sigma_I 0.0 _refine.pdbx_ls_sigma_F 0.0 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 20.00 _refine.ls_d_res_high 2.25 _refine.ls_percent_reflns_obs 94.69 _refine.ls_R_factor_obs 0.1854 _refine.ls_R_factor_all 0.1875 _refine.ls_R_factor_R_work 0.18321 _refine.ls_R_factor_R_free 0.22458 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.2 _refine.ls_number_reflns_R_free 929 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.950 _refine.correlation_coeff_Fo_to_Fc_free 0.934 _refine.B_iso_mean 31.338 _refine.aniso_B[1][1] 0.70 _refine.aniso_B[2][2] -0.49 _refine.aniso_B[3][3] -0.75 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] -0.89 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details MASK _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.20 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' _refine.pdbx_starting_model 2DYX _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R 0.314 _refine.pdbx_overall_ESU_R_Free 0.217 _refine.overall_SU_ML 0.157 _refine.overall_SU_B 6.388 _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_overall_phase_error ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 2604 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 120 _refine_hist.number_atoms_solvent 190 _refine_hist.number_atoms_total 2914 _refine_hist.d_res_high 2.25 _refine_hist.d_res_low 20.00 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function r_bond_refined_d 0.011 0.022 ? 2786 'X-RAY DIFFRACTION' ? r_bond_other_d 0.000 0.020 ? 15 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.407 1.999 ? 3789 'X-RAY DIFFRACTION' ? r_angle_other_deg 0.366 3.000 ? 30 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 6.371 5.000 ? 339 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 39.027 25.169 ? 118 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 17.481 15.000 ? 448 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 20.209 15.000 ? 12 'X-RAY DIFFRACTION' ? r_chiral_restr 0.090 0.200 ? 429 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.004 0.020 ? 2062 'X-RAY DIFFRACTION' ? r_gen_planes_other 0.001 0.020 ? 9 'X-RAY DIFFRACTION' ? r_nbd_refined 0.207 0.200 ? 1142 'X-RAY DIFFRACTION' ? r_nbd_other 0.087 0.200 ? 5 'X-RAY DIFFRACTION' ? r_nbtor_refined 0.302 0.200 ? 1892 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_refined 0.147 0.200 ? 184 'X-RAY DIFFRACTION' ? r_metal_ion_refined 0.189 0.200 ? 3 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined 0.303 0.200 ? 39 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined 0.323 0.200 ? 11 'X-RAY DIFFRACTION' ? r_mcbond_it 0.820 1.500 ? 1726 'X-RAY DIFFRACTION' ? r_mcangle_it 1.468 2.000 ? 2701 'X-RAY DIFFRACTION' ? r_scbond_it 2.040 3.000 ? 1194 'X-RAY DIFFRACTION' ? r_scangle_it 3.489 4.500 ? 1088 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 2.250 _refine_ls_shell.d_res_low 2.308 _refine_ls_shell.number_reflns_R_work 1210 _refine_ls_shell.R_factor_R_work 0.245 _refine_ls_shell.percent_reflns_obs 93.19 _refine_ls_shell.R_factor_R_free 0.264 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 77 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' # _struct.entry_id 3CFL _struct.title ;Crystal structure of the complex formed between C-lobe of bovine lactoferrin and 5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine at 2.25 A resolution ; _struct.pdbx_descriptor 'Lactotransferrin (E.C.3.4.21.-)' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 3CFL _struct_keywords.pdbx_keywords 'METAL BINDING PROTEIN' _struct_keywords.text ;COMPLEX, ETORICOXIB, C-LOBE, Antibiotic, Antimicrobial, Glycoprotein, Hydrolase, Ion transport, Iron, Iron transport, Metal-binding, Protease, Secreted, Serine protease, Transport, METAL BINDING PROTEIN ; # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 2 ? D N N 2 ? E N N 2 ? F N N 2 ? G N N 2 ? H N N 3 ? I N N 4 ? J N N 5 ? K N N 5 ? L N N 6 ? M N N 7 ? N N N 8 ? # _struct_biol.id 1 _struct_biol.details ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 GLY A 10 ? SER A 24 ? GLY A 351 SER A 365 1 ? 15 HELX_P HELX_P2 2 THR A 35 ? LYS A 45 ? THR A 376 LYS A 386 1 ? 11 HELX_P HELX_P3 3 ASP A 54 ? CYS A 64 ? ASP A 395 CYS A 405 1 ? 11 HELX_P HELX_P4 4 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 SER A 158 ? ALA A 162 ? SER A 499 ALA A 503 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 PRO A 239 ? ALA A 243 ? PRO A 580 ALA A 584 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 ? LYS A 333 ? THR A 656 LYS A 674 1 ? 19 # _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 ? ? ? ? ? ? ? 2.045 ? disulf2 disulf ? ? A CYS 17 SG ? ? ? 1_555 A CYS 30 SG ? ? A CYS 358 A CYS 371 1_555 ? ? ? ? ? ? ? 2.045 ? disulf3 disulf ? ? A CYS 64 SG ? ? ? 1_555 A CYS 343 SG ? ? A CYS 405 A CYS 684 1_555 ? ? ? ? ? ? ? 2.034 ? disulf4 disulf ? ? A CYS 84 SG ? ? ? 1_555 A CYS 306 SG ? ? A CYS 425 A CYS 647 1_555 ? ? ? ? ? ? ? 2.010 ? disulf5 disulf ? ? A CYS 116 SG ? ? ? 1_555 A CYS 191 SG ? ? A CYS 457 A CYS 532 1_555 ? ? ? ? ? ? ? 2.042 ? disulf6 disulf ? ? A CYS 140 SG ? ? ? 1_555 A CYS 334 SG ? ? A CYS 481 A CYS 675 1_555 ? ? ? ? ? ? ? 2.026 ? disulf7 disulf ? ? A CYS 150 SG ? ? ? 1_555 A CYS 164 SG ? ? A CYS 491 A CYS 505 1_555 ? ? ? ? ? ? ? 2.017 ? disulf8 disulf ? ? A CYS 161 SG ? ? ? 1_555 A CYS 174 SG ? ? A CYS 502 A CYS 515 1_555 ? ? ? ? ? ? ? 1.994 ? 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 ? ? ? ? ? ? ? 2.043 ? covale1 covale ? ? A ASN 27 ND2 ? ? ? 1_555 D NAG . C1 ? ? A ASN 368 A NAG 687 1_555 ? ? ? ? ? ? ? 1.444 ? metalc1 metalc ? ? A ASP 54 OD1 ? ? ? 1_555 H FE . FE ? ? A ASP 395 A FE 691 1_555 ? ? ? ? ? ? ? 1.999 ? metalc2 metalc ? ? A TYR 92 OH ? ? ? 1_555 H FE . FE ? ? A TYR 433 A FE 691 1_555 ? ? ? ? ? ? ? 1.827 ? covale2 covale ? ? A ASN 135 ND2 ? ? ? 1_555 B NAG . C1 ? ? A ASN 476 A NAG 1 1_555 ? ? ? ? ? ? ? 1.448 ? metalc3 metalc ? ? A TYR 185 OH ? ? ? 1_555 H FE . FE ? ? A TYR 526 A FE 691 1_555 ? ? ? ? ? ? ? 2.017 ? covale3 covale ? ? A ASN 204 ND2 ? ? ? 1_555 F NAG . C1 ? ? A ASN 545 A NAG 689 1_555 ? ? ? ? ? ? ? 1.444 ? metalc4 metalc ? ? A HIS 247 NE2 ? ? ? 1_555 K ZN . ZN ? ? A HIS 588 A ZN 4 1_555 ? ? ? ? ? ? ? 2.077 ? metalc5 metalc ? ? A HIS 254 NE2 ? ? ? 1_555 H FE . FE ? ? A HIS 595 A FE 691 1_555 ? ? ? ? ? ? ? 2.249 ? metalc6 metalc ? ? A GLU 318 OE2 ? ? ? 1_555 J ZN . ZN ? ? A GLU 659 A ZN 3 1_555 ? ? ? ? ? ? ? 2.080 ? covale4 covale ? ? B NAG . O4 ? ? ? 1_555 C NAG . C1 ? ? A NAG 1 A NAG 2 1_555 ? ? ? ? ? ? ? 1.451 ? covale5 covale ? ? D NAG . O4 ? ? ? 1_555 E NAG . C1 ? ? A NAG 687 A NAG 688 1_555 ? ? ? ? ? ? ? 1.457 ? covale6 covale ? ? F NAG . O4 ? ? ? 1_555 G NAG . C1 ? ? A NAG 689 A NAG 690 1_555 ? ? ? ? ? ? ? 1.447 ? metalc7 metalc ? ? H FE . FE ? ? ? 1_555 I CO3 . O2 ? ? A FE 691 A CO3 692 1_555 ? ? ? ? ? ? ? 2.233 ? metalc8 metalc ? ? H FE . FE ? ? ? 1_555 I CO3 . O1 ? ? A FE 691 A CO3 692 1_555 ? ? ? ? ? ? ? 2.306 ? metalc9 metalc ? ? J ZN . ZN ? ? ? 1_555 N HOH . O ? ? A ZN 3 A HOH 827 1_555 ? ? ? ? ? ? ? 2.006 ? # 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 TRP A 6 ? N TRP A 347 O THR A 29 ? O THR A 370 B 1 2 N LEU A 53 ? N LEU A 394 O ALA A 255 ? O ALA A 596 B 2 3 O VAL A 256 ? O VAL A 597 N VAL A 69 ? N VAL A 410 B 3 4 N ALA A 71 ? N ALA A 412 O ALA A 308 ? O ALA A 649 C 1 2 O CYS A 150 ? O CYS A 491 N HIS A 117 ? N HIS A 458 C 2 3 N CYS A 116 ? N CYS A 457 O PHE A 201 ? O PHE A 542 C 3 4 O 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 ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG A 1' AC2 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG A 2' AC3 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG A 687' AC4 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE NAG A 688' AC5 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG A 689' AC6 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE NAG A 690' AC7 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE FE A 691' AC8 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE CO3 A 692' AC9 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE ZN A 3' BC1 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE ZN A 4' BC2 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE SO4 A 5' BC3 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE 5CH A 693' # 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 3 ASN A 135 ? ASN A 476 . ? 1_555 ? 2 AC1 3 ASN A 330 ? ASN A 671 . ? 1_555 ? 3 AC1 3 HOH N . ? HOH A 741 . ? 1_555 ? 4 AC2 3 GLU A 323 ? GLU A 664 . ? 1_555 ? 5 AC2 3 THR A 326 ? THR A 667 . ? 1_555 ? 6 AC2 3 ASN A 330 ? ASN A 671 . ? 1_555 ? 7 AC3 5 SER A 24 ? SER A 365 . ? 1_555 ? 8 AC3 5 ASN A 27 ? ASN A 368 . ? 1_555 ? 9 AC3 5 HIS A 272 ? HIS A 613 . ? 1_555 ? 10 AC3 5 GLN A 273 ? GLN A 614 . ? 1_555 ? 11 AC3 5 LEU A 276 ? LEU A 617 . ? 1_555 ? 12 AC4 2 HIS A 272 ? HIS A 613 . ? 1_555 ? 13 AC4 2 HOH N . ? HOH A 812 . ? 1_555 ? 14 AC5 5 ASN A 204 ? ASN A 545 . ? 1_555 ? 15 AC5 5 ASP A 205 ? ASP A 546 . ? 1_555 ? 16 AC5 5 TRP A 208 ? TRP A 549 . ? 1_555 ? 17 AC5 5 GLN A 244 ? GLN A 585 . ? 1_555 ? 18 AC5 5 HOH N . ? HOH A 794 . ? 1_555 ? 19 AC6 1 TRP A 208 ? TRP A 549 . ? 1_555 ? 20 AC7 4 ASP A 54 ? ASP A 395 . ? 1_555 ? 21 AC7 4 TYR A 92 ? TYR A 433 . ? 1_555 ? 22 AC7 4 TYR A 185 ? TYR A 526 . ? 1_555 ? 23 AC7 4 HIS A 254 ? HIS A 595 . ? 1_555 ? 24 AC8 8 ASP A 54 ? ASP A 395 . ? 1_555 ? 25 AC8 8 TYR A 92 ? TYR A 433 . ? 1_555 ? 26 AC8 8 THR A 118 ? THR A 459 . ? 1_555 ? 27 AC8 8 ARG A 122 ? ARG A 463 . ? 1_555 ? 28 AC8 8 THR A 123 ? THR A 464 . ? 1_555 ? 29 AC8 8 ALA A 124 ? ALA A 465 . ? 1_555 ? 30 AC8 8 GLY A 125 ? GLY A 466 . ? 1_555 ? 31 AC8 8 TYR A 185 ? TYR A 526 . ? 1_555 ? 32 AC9 2 GLU A 318 ? GLU A 659 . ? 1_555 ? 33 AC9 2 HOH N . ? HOH A 827 . ? 1_555 ? 34 BC1 4 HIS A 247 ? HIS A 588 . ? 1_555 ? 35 BC1 4 HOH N . ? HOH A 815 . ? 1_555 ? 36 BC1 4 HOH N . ? HOH A 816 . ? 1_555 ? 37 BC1 4 HOH N . ? HOH A 882 . ? 1_555 ? 38 BC2 5 ARG A 229 ? ARG A 570 . ? 1_555 ? 39 BC2 5 ARG A 237 ? ARG A 578 . ? 1_555 ? 40 BC2 5 HOH N . ? HOH A 783 . ? 1_555 ? 41 BC2 5 HOH N . ? HOH A 829 . ? 1_555 ? 42 BC2 5 HOH N . ? HOH A 855 . ? 1_555 ? 43 BC3 4 THR A 89 ? THR A 430 . ? 1_555 ? 44 BC3 4 GLU A 318 ? GLU A 659 . ? 1_555 ? 45 BC3 4 GLY A 321 ? GLY A 662 . ? 1_555 ? 46 BC3 4 THR A 322 ? THR A 663 . ? 1_555 ? # _database_PDB_matrix.entry_id 3CFL _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 3CFL _atom_sites.fract_transf_matrix[1][1] 0.015745 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.005107 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.019843 _atom_sites.fract_transf_matrix[2][3] 0.000000 _atom_sites.fract_transf_matrix[3][1] 0.000000 _atom_sites.fract_transf_matrix[3][2] 0.000000 _atom_sites.fract_transf_matrix[3][3] 0.015962 _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 CL 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 ? 8.768 9.457 30.589 1.00 57.16 ? 342 TYR A N 1 ATOM 2 C CA . TYR A 1 1 ? 8.548 10.940 30.695 1.00 57.06 ? 342 TYR A CA 1 ATOM 3 C C . TYR A 1 1 ? 7.858 11.531 29.450 1.00 55.74 ? 342 TYR A C 1 ATOM 4 O O . TYR A 1 1 ? 6.675 11.879 29.515 1.00 55.78 ? 342 TYR A O 1 ATOM 5 C CB . TYR A 1 1 ? 9.848 11.688 31.064 1.00 58.35 ? 342 TYR A CB 1 ATOM 6 C CG . TYR A 1 1 ? 10.342 11.417 32.486 1.00 59.92 ? 342 TYR A CG 1 ATOM 7 C CD1 . TYR A 1 1 ? 11.605 10.853 32.716 1.00 60.89 ? 342 TYR A CD1 1 ATOM 8 C CD2 . TYR A 1 1 ? 9.542 11.722 33.599 1.00 61.30 ? 342 TYR A CD2 1 ATOM 9 C CE1 . TYR A 1 1 ? 12.061 10.600 34.020 1.00 61.93 ? 342 TYR A CE1 1 ATOM 10 C CE2 . TYR A 1 1 ? 9.980 11.472 34.906 1.00 61.91 ? 342 TYR A CE2 1 ATOM 11 C CZ . TYR A 1 1 ? 11.243 10.914 35.115 1.00 61.97 ? 342 TYR A CZ 1 ATOM 12 O OH . TYR A 1 1 ? 11.685 10.671 36.412 1.00 61.67 ? 342 TYR A OH 1 ATOM 13 N N . THR A 1 2 ? 8.585 11.642 28.335 1.00 53.69 ? 343 THR A N 1 ATOM 14 C CA . THR A 1 2 ? 7.966 11.940 27.030 1.00 51.28 ? 343 THR A CA 1 ATOM 15 C C . THR A 1 2 ? 7.535 10.607 26.357 1.00 49.19 ? 343 THR A C 1 ATOM 16 O O . THR A 1 2 ? 7.547 10.449 25.119 1.00 49.14 ? 343 THR A O 1 ATOM 17 C CB . THR A 1 2 ? 8.883 12.856 26.138 1.00 51.70 ? 343 THR A CB 1 ATOM 18 O OG1 . THR A 1 2 ? 8.150 13.337 25.002 1.00 52.35 ? 343 THR A OG1 1 ATOM 19 C CG2 . THR A 1 2 ? 10.177 12.134 25.684 1.00 51.72 ? 343 THR A CG2 1 ATOM 20 N N . ARG A 1 3 ? 7.148 9.660 27.217 1.00 45.96 ? 344 ARG A N 1 ATOM 21 C CA . ARG A 1 3 ? 6.825 8.288 26.837 1.00 43.22 ? 344 ARG A CA 1 ATOM 22 C C . ARG A 1 3 ? 5.343 7.972 27.088 1.00 39.72 ? 344 ARG A C 1 ATOM 23 O O . ARG A 1 3 ? 4.808 8.220 28.176 1.00 39.50 ? 344 ARG A O 1 ATOM 24 C CB . ARG A 1 3 ? 7.743 7.297 27.579 1.00 43.03 ? 344 ARG A CB 1 ATOM 25 C CG . ARG A 1 3 ? 7.376 5.829 27.397 1.00 45.05 ? 344 ARG A CG 1 ATOM 26 C CD . ARG A 1 3 ? 8.521 4.868 27.767 1.00 46.05 ? 344 ARG A CD 1 ATOM 27 N NE . ARG A 1 3 ? 8.610 4.567 29.202 1.00 52.27 ? 344 ARG A NE 1 ATOM 28 C CZ . ARG A 1 3 ? 7.674 3.926 29.909 1.00 53.93 ? 344 ARG A CZ 1 ATOM 29 N NH1 . ARG A 1 3 ? 6.545 3.526 29.333 1.00 55.56 ? 344 ARG A NH1 1 ATOM 30 N NH2 . ARG A 1 3 ? 7.854 3.700 31.205 1.00 54.51 ? 344 ARG A NH2 1 ATOM 31 N N . VAL A 1 4 ? 4.694 7.438 26.058 1.00 35.33 ? 345 VAL A N 1 ATOM 32 C CA . VAL A 1 4 ? 3.295 7.059 26.114 1.00 31.13 ? 345 VAL A CA 1 ATOM 33 C C . VAL A 1 4 ? 3.141 5.537 26.225 1.00 28.27 ? 345 VAL A C 1 ATOM 34 O O . VAL A 1 4 ? 3.813 4.785 25.534 1.00 27.15 ? 345 VAL A O 1 ATOM 35 C CB . VAL A 1 4 ? 2.522 7.622 24.884 1.00 31.29 ? 345 VAL A CB 1 ATOM 36 C CG1 . VAL A 1 4 ? 1.259 6.827 24.603 1.00 31.12 ? 345 VAL A CG1 1 ATOM 37 C CG2 . VAL A 1 4 ? 2.186 9.087 25.104 1.00 30.96 ? 345 VAL A CG2 1 ATOM 38 N N . VAL A 1 5 ? 2.277 5.101 27.135 1.00 25.53 ? 346 VAL A N 1 ATOM 39 C CA . VAL A 1 5 ? 1.839 3.712 27.186 1.00 23.33 ? 346 VAL A CA 1 ATOM 40 C C . VAL A 1 5 ? 0.523 3.553 26.408 1.00 22.22 ? 346 VAL A C 1 ATOM 41 O O . VAL A 1 5 ? -0.513 4.083 26.811 1.00 21.89 ? 346 VAL A O 1 ATOM 42 C CB . VAL A 1 5 ? 1.679 3.224 28.633 1.00 22.97 ? 346 VAL A CB 1 ATOM 43 C CG1 . VAL A 1 5 ? 1.397 1.729 28.680 1.00 21.58 ? 346 VAL A CG1 1 ATOM 44 C CG2 . VAL A 1 5 ? 2.930 3.554 29.412 1.00 22.45 ? 346 VAL A CG2 1 ATOM 45 N N . TRP A 1 6 ? 0.590 2.854 25.282 1.00 20.57 ? 347 TRP A N 1 ATOM 46 C CA . TRP A 1 6 ? -0.604 2.518 24.510 1.00 20.16 ? 347 TRP A CA 1 ATOM 47 C C . TRP A 1 6 ? -1.277 1.280 25.121 1.00 19.82 ? 347 TRP A C 1 ATOM 48 O O . TRP A 1 6 ? -0.587 0.414 25.655 1.00 20.67 ? 347 TRP A O 1 ATOM 49 C CB . TRP A 1 6 ? -0.250 2.248 23.040 1.00 19.33 ? 347 TRP A CB 1 ATOM 50 C CG . TRP A 1 6 ? -1.407 2.528 22.163 1.00 19.13 ? 347 TRP A CG 1 ATOM 51 C CD1 . TRP A 1 6 ? -2.282 1.619 21.624 1.00 16.20 ? 347 TRP A CD1 1 ATOM 52 C CD2 . TRP A 1 6 ? -1.871 3.827 21.766 1.00 17.79 ? 347 TRP A CD2 1 ATOM 53 N NE1 . TRP A 1 6 ? -3.238 2.277 20.890 1.00 16.81 ? 347 TRP A NE1 1 ATOM 54 C CE2 . TRP A 1 6 ? -3.014 3.630 20.964 1.00 17.04 ? 347 TRP A CE2 1 ATOM 55 C CE3 . TRP A 1 6 ? -1.409 5.137 21.989 1.00 16.75 ? 347 TRP A CE3 1 ATOM 56 C CZ2 . TRP A 1 6 ? -3.717 4.698 20.382 1.00 18.68 ? 347 TRP A CZ2 1 ATOM 57 C CZ3 . TRP A 1 6 ? -2.122 6.205 21.419 1.00 17.42 ? 347 TRP A CZ3 1 ATOM 58 C CH2 . TRP A 1 6 ? -3.260 5.974 20.631 1.00 18.00 ? 347 TRP A CH2 1 ATOM 59 N N . CYS A 1 7 ? -2.602 1.193 25.071 1.00 18.50 ? 348 CYS A N 1 ATOM 60 C CA . CYS A 1 7 ? -3.260 -0.026 25.527 1.00 18.08 ? 348 CYS A CA 1 ATOM 61 C C . CYS A 1 7 ? -3.804 -0.809 24.347 1.00 17.98 ? 348 CYS A C 1 ATOM 62 O O . CYS A 1 7 ? -4.658 -0.323 23.623 1.00 18.51 ? 348 CYS A O 1 ATOM 63 C CB . CYS A 1 7 ? -4.373 0.268 26.557 1.00 17.67 ? 348 CYS A CB 1 ATOM 64 S SG . CYS A 1 7 ? -4.944 -1.204 27.463 1.00 18.38 ? 348 CYS A SG 1 ATOM 65 N N . ALA A 1 8 ? -3.293 -2.021 24.161 1.00 18.10 ? 349 ALA A N 1 ATOM 66 C CA . ALA A 1 8 ? -3.739 -2.938 23.124 1.00 17.89 ? 349 ALA A CA 1 ATOM 67 C C . ALA A 1 8 ? -4.800 -3.885 23.633 1.00 17.73 ? 349 ALA A C 1 ATOM 68 O O . ALA A 1 8 ? -4.700 -4.392 24.737 1.00 17.69 ? 349 ALA A O 1 ATOM 69 C CB . ALA A 1 8 ? -2.542 -3.740 22.573 1.00 18.78 ? 349 ALA A CB 1 ATOM 70 N N . VAL A 1 9 ? -5.810 -4.128 22.795 1.00 18.30 ? 350 VAL A N 1 ATOM 71 C CA . VAL A 1 9 ? -6.900 -5.032 23.090 1.00 18.11 ? 350 VAL A CA 1 ATOM 72 C C . VAL A 1 9 ? -6.646 -6.372 22.392 1.00 19.48 ? 350 VAL A C 1 ATOM 73 O O . VAL A 1 9 ? -6.809 -6.493 21.175 1.00 19.48 ? 350 VAL A O 1 ATOM 74 C CB . VAL A 1 9 ? -8.268 -4.417 22.678 1.00 18.62 ? 350 VAL A CB 1 ATOM 75 C CG1 . VAL A 1 9 ? -9.439 -5.335 23.052 1.00 17.02 ? 350 VAL A CG1 1 ATOM 76 C CG2 . VAL A 1 9 ? -8.455 -3.017 23.331 1.00 16.52 ? 350 VAL A CG2 1 ATOM 77 N N . GLY A 1 10 ? -6.239 -7.375 23.179 1.00 19.97 ? 351 GLY A N 1 ATOM 78 C CA . GLY A 1 10 ? -6.022 -8.728 22.676 1.00 20.35 ? 351 GLY A CA 1 ATOM 79 C C . GLY A 1 10 ? -4.653 -8.904 22.050 1.00 21.20 ? 351 GLY A C 1 ATOM 80 O O . GLY A 1 10 ? -3.931 -7.923 21.860 1.00 20.74 ? 351 GLY A O 1 ATOM 81 N N . PRO A 1 11 ? -4.295 -10.163 21.722 1.00 21.81 ? 352 PRO A N 1 ATOM 82 C CA . PRO A 1 11 ? -2.986 -10.664 21.233 1.00 21.97 ? 352 PRO A CA 1 ATOM 83 C C . PRO A 1 11 ? -2.399 -9.993 19.982 1.00 21.76 ? 352 PRO A C 1 ATOM 84 O O . PRO A 1 11 ? -1.198 -9.717 19.922 1.00 21.24 ? 352 PRO A O 1 ATOM 85 C CB . PRO A 1 11 ? -3.261 -12.145 20.936 1.00 22.20 ? 352 PRO A CB 1 ATOM 86 C CG . PRO A 1 11 ? -4.427 -12.499 21.792 1.00 22.97 ? 352 PRO A CG 1 ATOM 87 C CD . PRO A 1 11 ? -5.281 -11.255 21.865 1.00 21.99 ? 352 PRO A CD 1 ATOM 88 N N . GLU A 1 12 ? -3.240 -9.748 18.994 1.00 22.41 ? 353 GLU A N 1 ATOM 89 C CA . GLU A 1 12 ? -2.793 -9.238 17.717 1.00 23.14 ? 353 GLU A CA 1 ATOM 90 C C . GLU A 1 12 ? -2.482 -7.756 17.794 1.00 22.60 ? 353 GLU A C 1 ATOM 91 O O . GLU A 1 12 ? -1.529 -7.295 17.166 1.00 22.49 ? 353 GLU A O 1 ATOM 92 C CB . GLU A 1 12 ? -3.849 -9.482 16.637 1.00 23.19 ? 353 GLU A CB 1 ATOM 93 C CG . GLU A 1 12 ? -4.165 -10.941 16.352 1.00 25.00 ? 353 GLU A CG 1 ATOM 94 C CD . GLU A 1 12 ? -5.197 -11.119 15.224 1.00 25.61 ? 353 GLU A CD 1 ATOM 95 O OE1 . GLU A 1 12 ? -6.310 -10.529 15.257 1.00 27.08 ? 353 GLU A OE1 1 ATOM 96 O OE2 . GLU A 1 12 ? -4.882 -11.866 14.280 1.00 32.13 ? 353 GLU A OE2 1 ATOM 97 N N . GLU A 1 13 ? -3.303 -7.007 18.530 1.00 22.60 ? 354 GLU A N 1 ATOM 98 C CA . GLU A 1 13 ? -3.038 -5.587 18.745 1.00 22.74 ? 354 GLU A CA 1 ATOM 99 C C . GLU A 1 13 ? -1.776 -5.467 19.591 1.00 23.06 ? 354 GLU A C 1 ATOM 100 O O . GLU A 1 13 ? -0.978 -4.557 19.380 1.00 22.50 ? 354 GLU A O 1 ATOM 101 C CB . GLU A 1 13 ? -4.230 -4.879 19.408 1.00 22.77 ? 354 GLU A CB 1 ATOM 102 C CG . GLU A 1 13 ? -5.340 -4.483 18.433 1.00 22.86 ? 354 GLU A CG 1 ATOM 103 C CD . GLU A 1 13 ? -6.225 -3.372 18.958 1.00 23.02 ? 354 GLU A CD 1 ATOM 104 O OE1 . GLU A 1 13 ? -6.014 -2.901 20.096 1.00 25.81 ? 354 GLU A OE1 1 ATOM 105 O OE2 . GLU A 1 13 ? -7.145 -2.959 18.243 1.00 22.58 ? 354 GLU A OE2 1 ATOM 106 N N . GLN A 1 14 ? -1.588 -6.400 20.532 1.00 23.63 ? 355 GLN A N 1 ATOM 107 C CA . GLN A 1 14 ? -0.332 -6.466 21.291 1.00 24.99 ? 355 GLN A CA 1 ATOM 108 C C . GLN A 1 14 ? 0.897 -6.582 20.373 1.00 24.15 ? 355 GLN A C 1 ATOM 109 O O . GLN A 1 14 ? 1.865 -5.851 20.538 1.00 23.86 ? 355 GLN A O 1 ATOM 110 C CB . GLN A 1 14 ? -0.347 -7.596 22.330 1.00 24.47 ? 355 GLN A CB 1 ATOM 111 C CG . GLN A 1 14 ? 0.940 -7.651 23.153 1.00 27.45 ? 355 GLN A CG 1 ATOM 112 C CD . GLN A 1 14 ? 1.034 -8.863 24.080 1.00 28.99 ? 355 GLN A CD 1 ATOM 113 O OE1 . GLN A 1 14 ? 1.102 -10.007 23.634 1.00 34.62 ? 355 GLN A OE1 1 ATOM 114 N NE2 . GLN A 1 14 ? 1.068 -8.606 25.384 1.00 36.17 ? 355 GLN A NE2 1 ATOM 115 N N . LYS A 1 15 ? 0.842 -7.502 19.411 1.00 24.37 ? 356 LYS A N 1 ATOM 116 C CA . LYS A 1 15 ? 1.948 -7.737 18.473 1.00 24.66 ? 356 LYS A CA 1 ATOM 117 C C . LYS A 1 15 ? 2.259 -6.499 17.615 1.00 23.59 ? 356 LYS A C 1 ATOM 118 O O . LYS A 1 15 ? 3.402 -6.081 17.535 1.00 24.12 ? 356 LYS A O 1 ATOM 119 C CB . LYS A 1 15 ? 1.685 -9.009 17.639 1.00 25.14 ? 356 LYS A CB 1 ATOM 120 C CG . LYS A 1 15 ? 2.365 -9.073 16.274 1.00 28.68 ? 356 LYS A CG 1 ATOM 121 C CD . LYS A 1 15 ? 3.642 -9.892 16.273 1.00 35.56 ? 356 LYS A CD 1 ATOM 122 C CE . LYS A 1 15 ? 3.364 -11.397 16.208 1.00 39.47 ? 356 LYS A CE 1 ATOM 123 N NZ . LYS A 1 15 ? 2.209 -11.756 15.320 1.00 42.31 ? 356 LYS A NZ 1 ATOM 124 N N . LYS A 1 16 ? 1.244 -5.894 17.011 1.00 22.91 ? 357 LYS A N 1 ATOM 125 C CA . LYS A 1 16 ? 1.431 -4.633 16.295 1.00 22.24 ? 357 LYS A CA 1 ATOM 126 C C . LYS A 1 16 ? 2.012 -3.527 17.194 1.00 22.11 ? 357 LYS A C 1 ATOM 127 O O . LYS A 1 16 ? 2.903 -2.799 16.788 1.00 21.98 ? 357 LYS A O 1 ATOM 128 C CB . LYS A 1 16 ? 0.120 -4.158 15.648 1.00 21.95 ? 357 LYS A CB 1 ATOM 129 C CG . LYS A 1 16 ? 0.313 -2.937 14.768 1.00 20.94 ? 357 LYS A CG 1 ATOM 130 C CD . LYS A 1 16 ? -0.941 -2.530 14.045 1.00 20.51 ? 357 LYS A CD 1 ATOM 131 C CE . LYS A 1 16 ? -0.796 -1.150 13.432 1.00 18.88 ? 357 LYS A CE 1 ATOM 132 N NZ . LYS A 1 16 ? -2.049 -0.818 12.643 1.00 21.41 ? 357 LYS A NZ 1 ATOM 133 N N . CYS A 1 17 ? 1.499 -3.406 18.409 1.00 22.22 ? 358 CYS A N 1 ATOM 134 C CA . CYS A 1 17 ? 1.989 -2.403 19.340 1.00 23.14 ? 358 CYS A CA 1 ATOM 135 C C . CYS A 1 17 ? 3.487 -2.584 19.636 1.00 24.21 ? 358 CYS A C 1 ATOM 136 O O . CYS A 1 17 ? 4.233 -1.608 19.624 1.00 24.34 ? 358 CYS A O 1 ATOM 137 C CB . CYS A 1 17 ? 1.143 -2.386 20.632 1.00 22.56 ? 358 CYS A CB 1 ATOM 138 S SG . CYS A 1 17 ? 1.565 -1.029 21.784 1.00 21.47 ? 358 CYS A SG 1 ATOM 139 N N . GLN A 1 18 ? 3.918 -3.826 19.888 1.00 25.29 ? 359 GLN A N 1 ATOM 140 C CA . GLN A 1 18 ? 5.324 -4.136 20.174 1.00 27.01 ? 359 GLN A CA 1 ATOM 141 C C . GLN A 1 18 ? 6.266 -3.728 19.044 1.00 27.44 ? 359 GLN A C 1 ATOM 142 O O . GLN A 1 18 ? 7.371 -3.241 19.299 1.00 27.60 ? 359 GLN A O 1 ATOM 143 C CB . GLN A 1 18 ? 5.489 -5.619 20.500 1.00 26.54 ? 359 GLN A CB 1 ATOM 144 C CG . GLN A 1 18 ? 5.084 -5.944 21.923 1.00 28.85 ? 359 GLN A CG 1 ATOM 145 C CD . GLN A 1 18 ? 4.991 -7.448 22.204 1.00 30.06 ? 359 GLN A CD 1 ATOM 146 O OE1 . GLN A 1 18 ? 5.247 -8.284 21.327 1.00 35.77 ? 359 GLN A OE1 1 ATOM 147 N NE2 . GLN A 1 18 ? 4.613 -7.794 23.437 1.00 31.76 ? 359 GLN A NE2 1 ATOM 148 N N . GLN A 1 19 ? 5.822 -3.927 17.803 1.00 28.31 ? 360 GLN A N 1 ATOM 149 C CA . GLN A 1 19 ? 6.541 -3.460 16.618 1.00 29.93 ? 360 GLN A CA 1 ATOM 150 C C . GLN A 1 19 ? 6.673 -1.939 16.605 1.00 29.38 ? 360 GLN A C 1 ATOM 151 O O . GLN A 1 19 ? 7.745 -1.403 16.344 1.00 29.45 ? 360 GLN A O 1 ATOM 152 C CB . GLN A 1 19 ? 5.825 -3.910 15.348 1.00 29.82 ? 360 GLN A CB 1 ATOM 153 C CG . GLN A 1 19 ? 6.096 -5.356 14.919 1.00 31.92 ? 360 GLN A CG 1 ATOM 154 C CD . GLN A 1 19 ? 5.347 -5.721 13.626 1.00 33.80 ? 360 GLN A CD 1 ATOM 155 O OE1 . GLN A 1 19 ? 5.286 -4.923 12.671 1.00 38.36 ? 360 GLN A OE1 1 ATOM 156 N NE2 . GLN A 1 19 ? 4.763 -6.924 13.595 1.00 38.13 ? 360 GLN A NE2 1 ATOM 157 N N . TRP A 1 20 ? 5.566 -1.259 16.887 1.00 29.34 ? 361 TRP A N 1 ATOM 158 C CA . TRP A 1 20 ? 5.531 0.179 16.972 1.00 29.06 ? 361 TRP A CA 1 ATOM 159 C C . TRP A 1 20 ? 6.423 0.662 18.097 1.00 29.11 ? 361 TRP A C 1 ATOM 160 O O . TRP A 1 20 ? 7.142 1.630 17.928 1.00 29.18 ? 361 TRP A O 1 ATOM 161 C CB . TRP A 1 20 ? 4.089 0.648 17.162 1.00 28.69 ? 361 TRP A CB 1 ATOM 162 C CG . TRP A 1 20 ? 3.918 2.117 17.295 1.00 28.26 ? 361 TRP A CG 1 ATOM 163 C CD1 . TRP A 1 20 ? 4.776 3.096 16.875 1.00 27.42 ? 361 TRP A CD1 1 ATOM 164 C CD2 . TRP A 1 20 ? 2.790 2.787 17.865 1.00 27.68 ? 361 TRP A CD2 1 ATOM 165 N NE1 . TRP A 1 20 ? 4.268 4.333 17.177 1.00 26.75 ? 361 TRP A NE1 1 ATOM 166 C CE2 . TRP A 1 20 ? 3.048 4.178 17.784 1.00 27.33 ? 361 TRP A CE2 1 ATOM 167 C CE3 . TRP A 1 20 ? 1.588 2.347 18.449 1.00 27.45 ? 361 TRP A CE3 1 ATOM 168 C CZ2 . TRP A 1 20 ? 2.143 5.145 18.269 1.00 27.53 ? 361 TRP A CZ2 1 ATOM 169 C CZ3 . TRP A 1 20 ? 0.692 3.300 18.937 1.00 28.04 ? 361 TRP A CZ3 1 ATOM 170 C CH2 . TRP A 1 20 ? 0.977 4.691 18.840 1.00 27.85 ? 361 TRP A CH2 1 ATOM 171 N N . SER A 1 21 ? 6.386 -0.024 19.231 1.00 29.40 ? 362 SER A N 1 ATOM 172 C CA . SER A 1 21 ? 7.246 0.310 20.370 1.00 30.17 ? 362 SER A CA 1 ATOM 173 C C . SER A 1 21 ? 8.741 0.214 20.027 1.00 30.76 ? 362 SER A C 1 ATOM 174 O O . SER A 1 21 ? 9.516 1.123 20.331 1.00 30.00 ? 362 SER A O 1 ATOM 175 C CB . SER A 1 21 ? 6.924 -0.588 21.566 1.00 29.91 ? 362 SER A CB 1 ATOM 176 O OG . SER A 1 21 ? 7.739 -0.243 22.668 1.00 30.16 ? 362 SER A OG 1 ATOM 177 N N . GLN A 1 22 ? 9.115 -0.897 19.390 1.00 31.74 ? 363 GLN A N 1 ATOM 178 C CA . GLN A 1 22 ? 10.457 -1.129 18.854 1.00 33.07 ? 363 GLN A CA 1 ATOM 179 C C . GLN A 1 22 ? 10.920 -0.014 17.906 1.00 32.78 ? 363 GLN A C 1 ATOM 180 O O . GLN A 1 22 ? 11.947 0.623 18.146 1.00 32.81 ? 363 GLN A O 1 ATOM 181 C CB . GLN A 1 22 ? 10.475 -2.476 18.141 1.00 33.72 ? 363 GLN A CB 1 ATOM 182 C CG . GLN A 1 22 ? 11.826 -2.899 17.614 1.00 37.95 ? 363 GLN A CG 1 ATOM 183 C CD . GLN A 1 22 ? 11.880 -4.390 17.277 1.00 43.36 ? 363 GLN A CD 1 ATOM 184 O OE1 . GLN A 1 22 ? 11.084 -5.194 17.793 1.00 45.61 ? 363 GLN A OE1 1 ATOM 185 N NE2 . GLN A 1 22 ? 12.830 -4.768 16.413 1.00 44.02 ? 363 GLN A NE2 1 ATOM 186 N N . GLN A 1 23 ? 10.142 0.226 16.854 1.00 32.53 ? 364 GLN A N 1 ATOM 187 C CA . GLN A 1 23 ? 10.428 1.273 15.871 1.00 32.80 ? 364 GLN A CA 1 ATOM 188 C C . GLN A 1 23 ? 10.504 2.692 16.430 1.00 32.49 ? 364 GLN A C 1 ATOM 189 O O . GLN A 1 23 ? 11.208 3.538 15.859 1.00 32.60 ? 364 GLN A O 1 ATOM 190 C CB . GLN A 1 23 ? 9.424 1.222 14.712 1.00 33.05 ? 364 GLN A CB 1 ATOM 191 C CG . GLN A 1 23 ? 9.499 -0.078 13.900 1.00 36.08 ? 364 GLN A CG 1 ATOM 192 C CD . GLN A 1 23 ? 10.924 -0.409 13.427 1.00 39.16 ? 364 GLN A CD 1 ATOM 193 O OE1 . GLN A 1 23 ? 11.510 0.321 12.641 1.00 41.16 ? 364 GLN A OE1 1 ATOM 194 N NE2 . GLN A 1 23 ? 11.476 -1.508 13.922 1.00 40.85 ? 364 GLN A NE2 1 ATOM 195 N N . SER A 1 24 ? 9.786 2.948 17.528 1.00 32.04 ? 365 SER A N 1 ATOM 196 C CA . SER A 1 24 ? 9.715 4.275 18.140 1.00 32.00 ? 365 SER A CA 1 ATOM 197 C C . SER A 1 24 ? 10.870 4.566 19.125 1.00 32.77 ? 365 SER A C 1 ATOM 198 O O . SER A 1 24 ? 10.968 5.669 19.675 1.00 32.91 ? 365 SER A O 1 ATOM 199 C CB . SER A 1 24 ? 8.358 4.482 18.833 1.00 31.46 ? 365 SER A CB 1 ATOM 200 O OG . SER A 1 24 ? 8.230 3.694 20.005 1.00 29.56 ? 365 SER A OG 1 ATOM 201 N N . GLY A 1 25 ? 11.732 3.576 19.340 1.00 33.32 ? 366 GLY A N 1 ATOM 202 C CA . GLY A 1 25 ? 12.828 3.698 20.287 1.00 34.37 ? 366 GLY A CA 1 ATOM 203 C C . GLY A 1 25 ? 12.274 3.864 21.686 1.00 35.08 ? 366 GLY A C 1 ATOM 204 O O . GLY A 1 25 ? 12.817 4.636 22.495 1.00 35.04 ? 366 GLY A O 1 ATOM 205 N N . GLN A 1 26 ? 11.171 3.160 21.956 1.00 35.57 ? 367 GLN A N 1 ATOM 206 C CA . GLN A 1 26 ? 10.508 3.183 23.273 1.00 36.17 ? 367 GLN A CA 1 ATOM 207 C C . GLN A 1 26 ? 9.879 4.517 23.635 1.00 35.21 ? 367 GLN A C 1 ATOM 208 O O . GLN A 1 26 ? 9.538 4.739 24.792 1.00 35.81 ? 367 GLN A O 1 ATOM 209 C CB . GLN A 1 26 ? 11.476 2.760 24.391 1.00 36.77 ? 367 GLN A CB 1 ATOM 210 C CG . GLN A 1 26 ? 11.244 1.381 24.962 1.00 40.37 ? 367 GLN A CG 1 ATOM 211 C CD . GLN A 1 26 ? 11.539 0.281 23.986 1.00 44.56 ? 367 GLN A CD 1 ATOM 212 O OE1 . GLN A 1 26 ? 12.525 0.339 23.247 1.00 47.26 ? 367 GLN A OE1 1 ATOM 213 N NE2 . GLN A 1 26 ? 10.688 -0.746 23.980 1.00 46.81 ? 367 GLN A NE2 1 ATOM 214 N N . ASN A 1 27 ? 9.722 5.412 22.668 1.00 34.68 ? 368 ASN A N 1 ATOM 215 C CA . ASN A 1 27 ? 8.847 6.575 22.875 1.00 34.26 ? 368 ASN A CA 1 ATOM 216 C C . ASN A 1 27 ? 7.399 6.142 23.143 1.00 32.28 ? 368 ASN A C 1 ATOM 217 O O . ASN A 1 27 ? 6.656 6.820 23.846 1.00 32.36 ? 368 ASN A O 1 ATOM 218 C CB . ASN A 1 27 ? 8.932 7.572 21.706 1.00 35.22 ? 368 ASN A CB 1 ATOM 219 C CG . ASN A 1 27 ? 10.182 8.478 21.783 1.00 39.99 ? 368 ASN A CG 1 ATOM 220 O OD1 . ASN A 1 27 ? 10.955 8.427 22.755 1.00 40.41 ? 368 ASN A OD1 1 ATOM 221 N ND2 . ASN A 1 27 ? 10.378 9.302 20.748 1.00 46.40 ? 368 ASN A ND2 1 ATOM 222 N N . VAL A 1 28 ? 7.014 5.000 22.583 1.00 30.16 ? 369 VAL A N 1 ATOM 223 C CA . VAL A 1 28 ? 5.734 4.386 22.888 1.00 28.37 ? 369 VAL A CA 1 ATOM 224 C C . VAL A 1 28 ? 5.996 2.995 23.430 1.00 27.45 ? 369 VAL A C 1 ATOM 225 O O . VAL A 1 28 ? 6.813 2.256 22.888 1.00 26.61 ? 369 VAL A O 1 ATOM 226 C CB . VAL A 1 28 ? 4.816 4.335 21.632 1.00 28.43 ? 369 VAL A CB 1 ATOM 227 C CG1 . VAL A 1 28 ? 3.566 3.474 21.878 1.00 27.93 ? 369 VAL A CG1 1 ATOM 228 C CG2 . VAL A 1 28 ? 4.439 5.753 21.187 1.00 27.22 ? 369 VAL A CG2 1 ATOM 229 N N . THR A 1 29 ? 5.338 2.659 24.538 1.00 26.98 ? 370 THR A N 1 ATOM 230 C CA . THR A 1 29 ? 5.312 1.268 25.018 1.00 25.91 ? 370 THR A CA 1 ATOM 231 C C . THR A 1 29 ? 3.864 0.774 25.130 1.00 25.14 ? 370 THR A C 1 ATOM 232 O O . THR A 1 29 ? 2.920 1.540 24.929 1.00 25.14 ? 370 THR A O 1 ATOM 233 C CB . THR A 1 29 ? 6.088 1.047 26.336 1.00 25.54 ? 370 THR A CB 1 ATOM 234 O OG1 . THR A 1 29 ? 5.537 1.879 27.351 1.00 26.97 ? 370 THR A OG1 1 ATOM 235 C CG2 . THR A 1 29 ? 7.585 1.343 26.176 1.00 25.68 ? 370 THR A CG2 1 ATOM 236 N N . CYS A 1 30 ? 3.711 -0.505 25.448 1.00 24.27 ? 371 CYS A N 1 ATOM 237 C CA . CYS A 1 30 ? 2.449 -1.217 25.296 1.00 24.12 ? 371 CYS A CA 1 ATOM 238 C C . CYS A 1 30 ? 1.972 -1.844 26.578 1.00 24.26 ? 371 CYS A C 1 ATOM 239 O O . CYS A 1 30 ? 2.754 -2.476 27.296 1.00 25.05 ? 371 CYS A O 1 ATOM 240 C CB . CYS A 1 30 ? 2.608 -2.333 24.269 1.00 23.72 ? 371 CYS A CB 1 ATOM 241 S SG . CYS A 1 30 ? 3.223 -1.726 22.757 1.00 21.49 ? 371 CYS A SG 1 ATOM 242 N N . ALA A 1 31 ? 0.692 -1.643 26.866 1.00 24.04 ? 372 ALA A N 1 ATOM 243 C CA . ALA A 1 31 ? -0.010 -2.380 27.899 1.00 24.00 ? 372 ALA A CA 1 ATOM 244 C C . ALA A 1 31 ? -1.077 -3.154 27.129 1.00 24.18 ? 372 ALA A C 1 ATOM 245 O O . ALA A 1 31 ? -1.550 -2.664 26.103 1.00 23.93 ? 372 ALA A O 1 ATOM 246 C CB . ALA A 1 31 ? -0.647 -1.422 28.897 1.00 23.58 ? 372 ALA A CB 1 ATOM 247 N N . THR A 1 32 ? -1.439 -4.344 27.608 1.00 24.21 ? 373 THR A N 1 ATOM 248 C CA . THR A 1 32 ? -2.425 -5.193 26.937 1.00 24.60 ? 373 THR A CA 1 ATOM 249 C C . THR A 1 32 ? -3.544 -5.580 27.882 1.00 24.18 ? 373 THR A C 1 ATOM 250 O O . THR A 1 32 ? -3.321 -5.810 29.061 1.00 24.31 ? 373 THR A O 1 ATOM 251 C CB . THR A 1 32 ? -1.780 -6.463 26.321 1.00 24.66 ? 373 THR A CB 1 ATOM 252 O OG1 . THR A 1 32 ? -0.687 -6.071 25.496 1.00 26.55 ? 373 THR A OG1 1 ATOM 253 C CG2 . THR A 1 32 ? -2.774 -7.222 25.426 1.00 25.87 ? 373 THR A CG2 1 ATOM 254 N N . ALA A 1 33 ? -4.761 -5.613 27.354 1.00 23.94 ? 374 ALA A N 1 ATOM 255 C CA . ALA A 1 33 ? -5.927 -6.041 28.123 1.00 23.41 ? 374 ALA A CA 1 ATOM 256 C C . ALA A 1 33 ? -6.752 -6.955 27.226 1.00 23.17 ? 374 ALA A C 1 ATOM 257 O O . ALA A 1 33 ? -6.570 -6.961 26.009 1.00 23.20 ? 374 ALA A O 1 ATOM 258 C CB . ALA A 1 33 ? -6.740 -4.840 28.602 1.00 22.63 ? 374 ALA A CB 1 ATOM 259 N N . SER A 1 34 ? -7.636 -7.743 27.823 1.00 23.14 ? 375 SER A N 1 ATOM 260 C CA . SER A 1 34 ? -8.494 -8.639 27.054 1.00 23.07 ? 375 SER A CA 1 ATOM 261 C C . SER A 1 34 ? -9.684 -7.922 26.424 1.00 22.04 ? 375 SER A C 1 ATOM 262 O O . SER A 1 34 ? -10.269 -8.403 25.460 1.00 22.12 ? 375 SER A O 1 ATOM 263 C CB . SER A 1 34 ? -8.992 -9.799 27.930 1.00 23.13 ? 375 SER A CB 1 ATOM 264 O OG . SER A 1 34 ? -8.131 -10.920 27.789 1.00 26.41 ? 375 SER A OG 1 ATOM 265 N N . THR A 1 35 ? -10.073 -6.796 26.998 1.00 21.00 ? 376 THR A N 1 ATOM 266 C CA . THR A 1 35 ? -11.235 -6.073 26.509 1.00 19.75 ? 376 THR A CA 1 ATOM 267 C C . THR A 1 35 ? -10.948 -4.586 26.489 1.00 19.99 ? 376 THR A C 1 ATOM 268 O O . THR A 1 35 ? -9.992 -4.108 27.142 1.00 19.76 ? 376 THR A O 1 ATOM 269 C CB . THR A 1 35 ? -12.532 -6.380 27.324 1.00 20.09 ? 376 THR A CB 1 ATOM 270 O OG1 . THR A 1 35 ? -12.509 -5.684 28.570 1.00 19.61 ? 376 THR A OG1 1 ATOM 271 C CG2 . THR A 1 35 ? -12.737 -7.911 27.574 1.00 17.67 ? 376 THR A CG2 1 ATOM 272 N N . THR A 1 36 ? -11.755 -3.864 25.709 1.00 19.54 ? 377 THR A N 1 ATOM 273 C CA . THR A 1 36 ? -11.688 -2.414 25.629 1.00 19.47 ? 377 THR A CA 1 ATOM 274 C C . THR A 1 36 ? -12.047 -1.788 26.986 1.00 19.77 ? 377 THR A C 1 ATOM 275 O O . THR A 1 36 ? -11.360 -0.856 27.422 1.00 19.18 ? 377 THR A O 1 ATOM 276 C CB . THR A 1 36 ? -12.608 -1.860 24.504 1.00 19.50 ? 377 THR A CB 1 ATOM 277 O OG1 . THR A 1 36 ? -12.193 -2.407 23.253 1.00 18.83 ? 377 THR A OG1 1 ATOM 278 C CG2 . THR A 1 36 ? -12.534 -0.332 24.418 1.00 18.87 ? 377 THR A CG2 1 ATOM 279 N N . ASP A 1 37 ? -13.092 -2.303 27.650 1.00 19.05 ? 378 ASP A N 1 ATOM 280 C CA . ASP A 1 37 ? -13.405 -1.879 29.025 1.00 19.85 ? 378 ASP A CA 1 ATOM 281 C C . ASP A 1 37 ? -12.236 -2.034 30.016 1.00 19.03 ? 378 ASP A C 1 ATOM 282 O O . ASP A 1 37 ? -12.030 -1.171 30.865 1.00 18.81 ? 378 ASP A O 1 ATOM 283 C CB . ASP A 1 37 ? -14.630 -2.600 29.578 1.00 20.49 ? 378 ASP A CB 1 ATOM 284 C CG . ASP A 1 37 ? -15.898 -2.237 28.854 1.00 24.15 ? 378 ASP A CG 1 ATOM 285 O OD1 . ASP A 1 37 ? -16.019 -1.123 28.305 1.00 30.26 ? 378 ASP A OD1 1 ATOM 286 O OD2 . ASP A 1 37 ? -16.799 -3.084 28.832 1.00 30.59 ? 378 ASP A OD2 1 ATOM 287 N N . ASP A 1 38 ? -11.468 -3.115 29.897 1.00 18.20 ? 379 ASP A N 1 ATOM 288 C CA . ASP A 1 38 ? -10.297 -3.293 30.747 1.00 18.79 ? 379 ASP A CA 1 ATOM 289 C C . ASP A 1 38 ? -9.180 -2.324 30.414 1.00 18.55 ? 379 ASP A C 1 ATOM 290 O O . ASP A 1 38 ? -8.427 -1.933 31.303 1.00 19.10 ? 379 ASP A O 1 ATOM 291 C CB . ASP A 1 38 ? -9.739 -4.695 30.650 1.00 18.71 ? 379 ASP A CB 1 ATOM 292 C CG . ASP A 1 38 ? -10.572 -5.730 31.393 1.00 20.95 ? 379 ASP A CG 1 ATOM 293 O OD1 . ASP A 1 38 ? -11.474 -5.402 32.195 1.00 20.85 ? 379 ASP A OD1 1 ATOM 294 O OD2 . ASP A 1 38 ? -10.287 -6.913 31.155 1.00 25.68 ? 379 ASP A OD2 1 ATOM 295 N N . CYS A 1 39 ? -9.042 -1.981 29.136 1.00 17.36 ? 380 CYS A N 1 ATOM 296 C CA . CYS A 1 39 ? -8.085 -0.964 28.746 1.00 17.38 ? 380 CYS A CA 1 ATOM 297 C C . CYS A 1 39 ? -8.472 0.401 29.322 1.00 17.56 ? 380 CYS A C 1 ATOM 298 O O . CYS A 1 39 ? -7.603 1.138 29.784 1.00 18.09 ? 380 CYS A O 1 ATOM 299 C CB . CYS A 1 39 ? -7.951 -0.871 27.223 1.00 17.01 ? 380 CYS A CB 1 ATOM 300 S SG . CYS A 1 39 ? -6.651 -1.834 26.530 1.00 15.12 ? 380 CYS A SG 1 ATOM 301 N N . ILE A 1 40 ? -9.765 0.724 29.307 1.00 17.56 ? 381 ILE A N 1 ATOM 302 C CA . ILE A 1 40 ? -10.264 1.953 29.909 1.00 18.25 ? 381 ILE A CA 1 ATOM 303 C C . ILE A 1 40 ? -9.884 2.024 31.387 1.00 18.06 ? 381 ILE A C 1 ATOM 304 O O . ILE A 1 40 ? -9.524 3.071 31.888 1.00 18.44 ? 381 ILE A O 1 ATOM 305 C CB . ILE A 1 40 ? -11.806 2.146 29.710 1.00 18.53 ? 381 ILE A CB 1 ATOM 306 C CG1 . ILE A 1 40 ? -12.137 2.289 28.220 1.00 18.35 ? 381 ILE A CG1 1 ATOM 307 C CG2 . ILE A 1 40 ? -12.284 3.411 30.471 1.00 18.02 ? 381 ILE A CG2 1 ATOM 308 C CD1 . ILE A 1 40 ? -13.653 2.263 27.881 1.00 18.04 ? 381 ILE A CD1 1 ATOM 309 N N . VAL A 1 41 ? -9.954 0.889 32.071 1.00 18.44 ? 382 VAL A N 1 ATOM 310 C CA . VAL A 1 41 ? -9.594 0.802 33.486 1.00 18.02 ? 382 VAL A CA 1 ATOM 311 C C . VAL A 1 41 ? -8.079 1.023 33.730 1.00 17.97 ? 382 VAL A C 1 ATOM 312 O O . VAL A 1 41 ? -7.705 1.726 34.678 1.00 17.34 ? 382 VAL A O 1 ATOM 313 C CB . VAL A 1 41 ? -10.169 -0.508 34.133 1.00 17.82 ? 382 VAL A CB 1 ATOM 314 C CG1 . VAL A 1 41 ? -9.537 -0.797 35.465 1.00 17.16 ? 382 VAL A CG1 1 ATOM 315 C CG2 . VAL A 1 41 ? -11.698 -0.397 34.256 1.00 17.36 ? 382 VAL A CG2 1 ATOM 316 N N . LEU A 1 42 ? -7.225 0.467 32.864 1.00 17.83 ? 383 LEU A N 1 ATOM 317 C CA . LEU A 1 42 ? -5.784 0.717 32.960 1.00 17.75 ? 383 LEU A CA 1 ATOM 318 C C . LEU A 1 42 ? -5.472 2.198 32.797 1.00 17.60 ? 383 LEU A C 1 ATOM 319 O O . LEU A 1 42 ? -4.621 2.749 33.523 1.00 16.64 ? 383 LEU A O 1 ATOM 320 C CB . LEU A 1 42 ? -4.962 -0.134 31.970 1.00 18.15 ? 383 LEU A CB 1 ATOM 321 C CG . LEU A 1 42 ? -4.968 -1.671 32.121 1.00 19.09 ? 383 LEU A CG 1 ATOM 322 C CD1 . LEU A 1 42 ? -4.235 -2.348 30.958 1.00 18.11 ? 383 LEU A CD1 1 ATOM 323 C CD2 . LEU A 1 42 ? -4.399 -2.132 33.471 1.00 20.96 ? 383 LEU A CD2 1 ATOM 324 N N . VAL A 1 43 ? -6.179 2.846 31.871 1.00 17.62 ? 384 VAL A N 1 ATOM 325 C CA . VAL A 1 43 ? -6.020 4.294 31.665 1.00 17.56 ? 384 VAL A CA 1 ATOM 326 C C . VAL A 1 43 ? -6.420 5.092 32.928 1.00 17.99 ? 384 VAL A C 1 ATOM 327 O O . VAL A 1 43 ? -5.688 5.987 33.349 1.00 18.24 ? 384 VAL A O 1 ATOM 328 C CB . VAL A 1 43 ? -6.747 4.828 30.386 1.00 17.30 ? 384 VAL A CB 1 ATOM 329 C CG1 . VAL A 1 43 ? -6.543 6.349 30.254 1.00 16.50 ? 384 VAL A CG1 1 ATOM 330 C CG2 . VAL A 1 43 ? -6.239 4.142 29.131 1.00 15.94 ? 384 VAL A CG2 1 ATOM 331 N N . LEU A 1 44 ? -7.559 4.750 33.533 1.00 18.43 ? 385 LEU A N 1 ATOM 332 C CA . LEU A 1 44 ? -8.020 5.427 34.766 1.00 19.09 ? 385 LEU A CA 1 ATOM 333 C C . LEU A 1 44 ? -7.056 5.242 35.936 1.00 19.49 ? 385 LEU A C 1 ATOM 334 O O . LEU A 1 44 ? -6.887 6.142 36.754 1.00 19.55 ? 385 LEU A O 1 ATOM 335 C CB . LEU A 1 44 ? -9.410 4.934 35.201 1.00 18.44 ? 385 LEU A CB 1 ATOM 336 C CG . LEU A 1 44 ? -10.588 5.373 34.344 1.00 20.59 ? 385 LEU A CG 1 ATOM 337 C CD1 . LEU A 1 44 ? -11.811 4.521 34.649 1.00 19.19 ? 385 LEU A CD1 1 ATOM 338 C CD2 . LEU A 1 44 ? -10.874 6.879 34.570 1.00 21.16 ? 385 LEU A CD2 1 ATOM 339 N N . LYS A 1 45 ? -6.466 4.050 36.030 1.00 19.63 ? 386 LYS A N 1 ATOM 340 C CA . LYS A 1 45 ? -5.536 3.733 37.092 1.00 19.48 ? 386 LYS A CA 1 ATOM 341 C C . LYS A 1 45 ? -4.218 4.452 36.870 1.00 19.37 ? 386 LYS A C 1 ATOM 342 O O . LYS A 1 45 ? -3.453 4.616 37.798 1.00 19.30 ? 386 LYS A O 1 ATOM 343 C CB . LYS A 1 45 ? -5.327 2.211 37.206 1.00 19.27 ? 386 LYS A CB 1 ATOM 344 C CG . LYS A 1 45 ? -6.549 1.463 37.735 1.00 20.26 ? 386 LYS A CG 1 ATOM 345 C CD . LYS A 1 45 ? -6.194 0.057 38.201 1.00 21.89 ? 386 LYS A CD 1 ATOM 346 C CE . LYS A 1 45 ? -6.073 -0.916 37.040 1.00 21.99 ? 386 LYS A CE 1 ATOM 347 N NZ . LYS A 1 45 ? -5.359 -2.169 37.441 1.00 24.91 ? 386 LYS A NZ 1 ATOM 348 N N . GLY A 1 46 ? -3.977 4.884 35.629 1.00 19.57 ? 387 GLY A N 1 ATOM 349 C CA . GLY A 1 46 ? -2.743 5.550 35.249 1.00 19.10 ? 387 GLY A CA 1 ATOM 350 C C . GLY A 1 46 ? -1.667 4.564 34.859 1.00 19.03 ? 387 GLY A C 1 ATOM 351 O O . GLY A 1 46 ? -0.479 4.913 34.857 1.00 19.08 ? 387 GLY A O 1 ATOM 352 N N . GLU A 1 47 ? -2.079 3.334 34.542 1.00 18.63 ? 388 GLU A N 1 ATOM 353 C CA . GLU A 1 47 ? -1.155 2.277 34.092 1.00 18.41 ? 388 GLU A CA 1 ATOM 354 C C . GLU A 1 47 ? -1.008 2.184 32.561 1.00 17.80 ? 388 GLU A C 1 ATOM 355 O O . GLU A 1 47 ? -0.051 1.593 32.071 1.00 18.25 ? 388 GLU A O 1 ATOM 356 C CB . GLU A 1 47 ? -1.528 0.920 34.722 1.00 19.31 ? 388 GLU A CB 1 ATOM 357 C CG . GLU A 1 47 ? -1.369 0.919 36.240 1.00 19.81 ? 388 GLU A CG 1 ATOM 358 C CD . GLU A 1 47 ? -2.064 -0.239 36.914 1.00 21.11 ? 388 GLU A CD 1 ATOM 359 O OE1 . GLU A 1 47 ? -2.646 -0.027 38.000 1.00 24.66 ? 388 GLU A OE1 1 ATOM 360 O OE2 . GLU A 1 47 ? -2.047 -1.361 36.374 1.00 20.83 ? 388 GLU A OE2 1 ATOM 361 N N . ALA A 1 48 ? -1.958 2.764 31.821 1.00 16.52 ? 389 ALA A N 1 ATOM 362 C CA . ALA A 1 48 ? -1.792 3.072 30.396 1.00 15.72 ? 389 ALA A CA 1 ATOM 363 C C . ALA A 1 48 ? -2.155 4.558 30.221 1.00 15.67 ? 389 ALA A C 1 ATOM 364 O O . ALA A 1 48 ? -2.749 5.162 31.126 1.00 14.93 ? 389 ALA A O 1 ATOM 365 C CB . ALA A 1 48 ? -2.690 2.170 29.505 1.00 14.78 ? 389 ALA A CB 1 ATOM 366 N N . ASP A 1 49 ? -1.803 5.133 29.071 1.00 15.37 ? 390 ASP A N 1 ATOM 367 C CA . ASP A 1 49 ? -2.118 6.540 28.775 1.00 15.79 ? 390 ASP A CA 1 ATOM 368 C C . ASP A 1 49 ? -3.301 6.737 27.801 1.00 16.45 ? 390 ASP A C 1 ATOM 369 O O . ASP A 1 49 ? -4.096 7.679 27.946 1.00 16.58 ? 390 ASP A O 1 ATOM 370 C CB . ASP A 1 49 ? -0.893 7.264 28.233 1.00 15.58 ? 390 ASP A CB 1 ATOM 371 C CG . ASP A 1 49 ? 0.200 7.450 29.288 1.00 16.62 ? 390 ASP A CG 1 ATOM 372 O OD1 . ASP A 1 49 ? -0.086 7.949 30.402 1.00 19.51 ? 390 ASP A OD1 1 ATOM 373 O OD2 . ASP A 1 49 ? 1.350 7.095 28.996 1.00 17.34 ? 390 ASP A OD2 1 ATOM 374 N N . ALA A 1 50 ? -3.416 5.854 26.812 1.00 15.79 ? 391 ALA A N 1 ATOM 375 C CA . ALA A 1 50 ? -4.225 6.163 25.651 1.00 16.26 ? 391 ALA A CA 1 ATOM 376 C C . ALA A 1 50 ? -4.570 4.919 24.842 1.00 15.83 ? 391 ALA A C 1 ATOM 377 O O . ALA A 1 50 ? -3.856 3.931 24.894 1.00 15.63 ? 391 ALA A O 1 ATOM 378 C CB . ALA A 1 50 ? -3.485 7.191 24.770 1.00 15.39 ? 391 ALA A CB 1 ATOM 379 N N . LEU A 1 51 ? -5.684 4.992 24.121 1.00 16.61 ? 392 LEU A N 1 ATOM 380 C CA . LEU A 1 51 ? -6.064 4.019 23.080 1.00 17.22 ? 392 LEU A CA 1 ATOM 381 C C . LEU A 1 51 ? -7.080 4.712 22.182 1.00 17.76 ? 392 LEU A C 1 ATOM 382 O O . LEU A 1 51 ? -7.645 5.747 22.559 1.00 18.37 ? 392 LEU A O 1 ATOM 383 C CB . LEU A 1 51 ? -6.679 2.740 23.685 1.00 17.27 ? 392 LEU A CB 1 ATOM 384 C CG . LEU A 1 51 ? -8.079 2.671 24.329 1.00 16.83 ? 392 LEU A CG 1 ATOM 385 C CD1 . LEU A 1 51 ? -8.502 1.204 24.541 1.00 17.02 ? 392 LEU A CD1 1 ATOM 386 C CD2 . LEU A 1 51 ? -8.221 3.444 25.653 1.00 17.44 ? 392 LEU A CD2 1 ATOM 387 N N . ASN A 1 52 ? -7.297 4.143 21.005 1.00 17.67 ? 393 ASN A N 1 ATOM 388 C CA . ASN A 1 52 ? -8.207 4.661 20.004 1.00 18.57 ? 393 ASN A CA 1 ATOM 389 C C . ASN A 1 52 ? -9.514 3.912 20.194 1.00 18.24 ? 393 ASN A C 1 ATOM 390 O O . ASN A 1 52 ? -9.505 2.704 20.313 1.00 18.75 ? 393 ASN A O 1 ATOM 391 C CB . ASN A 1 52 ? -7.596 4.359 18.628 1.00 19.47 ? 393 ASN A CB 1 ATOM 392 C CG . ASN A 1 52 ? -8.387 4.928 17.468 1.00 20.36 ? 393 ASN A CG 1 ATOM 393 O OD1 . ASN A 1 52 ? -8.832 6.065 17.494 1.00 21.32 ? 393 ASN A OD1 1 ATOM 394 N ND2 . ASN A 1 52 ? -8.516 4.140 16.418 1.00 20.87 ? 393 ASN A ND2 1 ATOM 395 N N . LEU A 1 53 ? -10.627 4.628 20.249 1.00 17.92 ? 394 LEU A N 1 ATOM 396 C CA . LEU A 1 53 ? -11.903 4.035 20.623 1.00 18.27 ? 394 LEU A CA 1 ATOM 397 C C . LEU A 1 53 ? -13.021 4.390 19.672 1.00 17.72 ? 394 LEU A C 1 ATOM 398 O O . LEU A 1 53 ? -13.081 5.507 19.156 1.00 17.99 ? 394 LEU A O 1 ATOM 399 C CB . LEU A 1 53 ? -12.348 4.483 22.031 1.00 18.19 ? 394 LEU A CB 1 ATOM 400 C CG . LEU A 1 53 ? -11.629 4.091 23.324 1.00 19.15 ? 394 LEU A CG 1 ATOM 401 C CD1 . LEU A 1 53 ? -12.403 4.676 24.523 1.00 20.01 ? 394 LEU A CD1 1 ATOM 402 C CD2 . LEU A 1 53 ? -11.499 2.614 23.488 1.00 16.18 ? 394 LEU A CD2 1 ATOM 403 N N . ASP A 1 54 ? -13.930 3.438 19.488 1.00 17.17 ? 395 ASP A N 1 ATOM 404 C CA . ASP A 1 54 ? -15.198 3.685 18.833 1.00 16.93 ? 395 ASP A CA 1 ATOM 405 C C . ASP A 1 54 ? -16.022 4.604 19.727 1.00 17.57 ? 395 ASP A C 1 ATOM 406 O O . ASP A 1 54 ? -15.887 4.568 20.964 1.00 17.67 ? 395 ASP A O 1 ATOM 407 C CB . ASP A 1 54 ? -15.942 2.363 18.603 1.00 16.64 ? 395 ASP A CB 1 ATOM 408 C CG . ASP A 1 54 ? -17.342 2.565 18.100 1.00 15.15 ? 395 ASP A CG 1 ATOM 409 O OD1 . ASP A 1 54 ? -17.512 2.880 16.930 1.00 17.47 ? 395 ASP A OD1 1 ATOM 410 O OD2 . ASP A 1 54 ? -18.297 2.410 18.865 1.00 18.74 ? 395 ASP A OD2 1 ATOM 411 N N . GLY A 1 55 ? -16.885 5.405 19.095 1.00 17.55 ? 396 GLY A N 1 ATOM 412 C CA . GLY A 1 55 ? -17.785 6.321 19.778 1.00 17.53 ? 396 GLY A CA 1 ATOM 413 C C . GLY A 1 55 ? -18.580 5.772 20.946 1.00 17.73 ? 396 GLY A C 1 ATOM 414 O O . GLY A 1 55 ? -18.732 6.466 21.935 1.00 18.11 ? 396 GLY A O 1 ATOM 415 N N . GLY A 1 56 ? -19.105 4.549 20.839 1.00 18.06 ? 397 GLY A N 1 ATOM 416 C CA . GLY A 1 56 ? -19.834 3.928 21.949 1.00 17.82 ? 397 GLY A CA 1 ATOM 417 C C . GLY A 1 56 ? -18.991 3.797 23.217 1.00 18.68 ? 397 GLY A C 1 ATOM 418 O O . GLY A 1 56 ? -19.487 3.974 24.348 1.00 18.39 ? 397 GLY A O 1 ATOM 419 N N . TYR A 1 57 ? -17.712 3.504 23.028 1.00 19.02 ? 398 TYR A N 1 ATOM 420 C CA . TYR A 1 57 ? -16.737 3.422 24.128 1.00 20.50 ? 398 TYR A CA 1 ATOM 421 C C . TYR A 1 57 ? -16.274 4.792 24.643 1.00 20.66 ? 398 TYR A C 1 ATOM 422 O O . TYR A 1 57 ? -15.958 4.927 25.834 1.00 21.41 ? 398 TYR A O 1 ATOM 423 C CB . TYR A 1 57 ? -15.513 2.627 23.688 1.00 20.71 ? 398 TYR A CB 1 ATOM 424 C CG . TYR A 1 57 ? -15.733 1.154 23.375 1.00 22.03 ? 398 TYR A CG 1 ATOM 425 C CD1 . TYR A 1 57 ? -16.441 0.315 24.246 1.00 22.09 ? 398 TYR A CD1 1 ATOM 426 C CD2 . TYR A 1 57 ? -15.166 0.589 22.228 1.00 22.89 ? 398 TYR A CD2 1 ATOM 427 C CE1 . TYR A 1 57 ? -16.603 -1.073 23.954 1.00 24.15 ? 398 TYR A CE1 1 ATOM 428 C CE2 . TYR A 1 57 ? -15.309 -0.772 21.936 1.00 23.74 ? 398 TYR A CE2 1 ATOM 429 C CZ . TYR A 1 57 ? -16.028 -1.597 22.796 1.00 23.55 ? 398 TYR A CZ 1 ATOM 430 O OH . TYR A 1 57 ? -16.149 -2.945 22.472 1.00 24.62 ? 398 TYR A OH 1 ATOM 431 N N . ILE A 1 58 ? -16.214 5.793 23.756 1.00 20.39 ? 399 ILE A N 1 ATOM 432 C CA . ILE A 1 58 ? -15.890 7.166 24.152 1.00 19.95 ? 399 ILE A CA 1 ATOM 433 C C . ILE A 1 58 ? -16.918 7.638 25.164 1.00 21.34 ? 399 ILE A C 1 ATOM 434 O O . ILE A 1 58 ? -16.604 8.383 26.084 1.00 21.91 ? 399 ILE A O 1 ATOM 435 C CB . ILE A 1 58 ? -15.852 8.139 22.935 1.00 20.24 ? 399 ILE A CB 1 ATOM 436 C CG1 . ILE A 1 58 ? -14.677 7.802 22.004 1.00 17.29 ? 399 ILE A CG1 1 ATOM 437 C CG2 . ILE A 1 58 ? -15.804 9.628 23.389 1.00 19.51 ? 399 ILE A CG2 1 ATOM 438 C CD1 . ILE A 1 58 ? -14.662 8.588 20.701 1.00 17.92 ? 399 ILE A CD1 1 ATOM 439 N N . TYR A 1 59 ? -18.155 7.200 24.977 1.00 22.51 ? 400 TYR A N 1 ATOM 440 C CA . TYR A 1 59 ? -19.245 7.530 25.880 1.00 23.83 ? 400 TYR A CA 1 ATOM 441 C C . TYR A 1 59 ? -19.040 6.875 27.259 1.00 24.02 ? 400 TYR A C 1 ATOM 442 O O . TYR A 1 59 ? -19.211 7.537 28.282 1.00 24.21 ? 400 TYR A O 1 ATOM 443 C CB . TYR A 1 59 ? -20.586 7.154 25.241 1.00 24.40 ? 400 TYR A CB 1 ATOM 444 C CG . TYR A 1 59 ? -21.763 7.345 26.146 1.00 25.16 ? 400 TYR A CG 1 ATOM 445 C CD1 . TYR A 1 59 ? -22.442 8.552 26.194 1.00 26.46 ? 400 TYR A CD1 1 ATOM 446 C CD2 . TYR A 1 59 ? -22.186 6.322 26.976 1.00 27.03 ? 400 TYR A CD2 1 ATOM 447 C CE1 . TYR A 1 59 ? -23.524 8.733 27.053 1.00 26.82 ? 400 TYR A CE1 1 ATOM 448 C CE2 . TYR A 1 59 ? -23.254 6.492 27.830 1.00 28.06 ? 400 TYR A CE2 1 ATOM 449 C CZ . TYR A 1 59 ? -23.921 7.697 27.862 1.00 27.00 ? 400 TYR A CZ 1 ATOM 450 O OH . TYR A 1 59 ? -24.993 7.843 28.718 1.00 28.08 ? 400 TYR A OH 1 ATOM 451 N N . THR A 1 60 ? -18.657 5.595 27.273 1.00 24.20 ? 401 THR A N 1 ATOM 452 C CA . THR A 1 60 ? -18.233 4.913 28.505 1.00 25.14 ? 401 THR A CA 1 ATOM 453 C C . THR A 1 60 ? -17.053 5.630 29.202 1.00 24.49 ? 401 THR A C 1 ATOM 454 O O . THR A 1 60 ? -17.144 5.983 30.371 1.00 24.54 ? 401 THR A O 1 ATOM 455 C CB . THR A 1 60 ? -17.886 3.413 28.265 1.00 25.16 ? 401 THR A CB 1 ATOM 456 O OG1 . THR A 1 60 ? -19.063 2.716 27.833 1.00 27.27 ? 401 THR A OG1 1 ATOM 457 C CG2 . THR A 1 60 ? -17.372 2.733 29.571 1.00 26.57 ? 401 THR A CG2 1 ATOM 458 N N . ALA A 1 61 ? -15.969 5.852 28.467 1.00 23.85 ? 402 ALA A N 1 ATOM 459 C CA . ALA A 1 61 ? -14.781 6.482 29.004 1.00 23.24 ? 402 ALA A CA 1 ATOM 460 C C . ALA A 1 61 ? -15.031 7.920 29.489 1.00 23.32 ? 402 ALA A C 1 ATOM 461 O O . ALA A 1 61 ? -14.388 8.381 30.430 1.00 22.61 ? 402 ALA A O 1 ATOM 462 C CB . ALA A 1 61 ? -13.689 6.465 27.950 1.00 22.97 ? 402 ALA A CB 1 ATOM 463 N N . GLY A 1 62 ? -15.951 8.617 28.820 1.00 23.54 ? 403 GLY A N 1 ATOM 464 C CA . GLY A 1 62 ? -16.207 10.037 29.046 1.00 23.71 ? 403 GLY A CA 1 ATOM 465 C C . GLY A 1 62 ? -16.898 10.280 30.363 1.00 24.24 ? 403 GLY A C 1 ATOM 466 O O . GLY A 1 62 ? -16.558 11.219 31.072 1.00 24.17 ? 403 GLY A O 1 ATOM 467 N N . LYS A 1 63 ? -17.852 9.411 30.690 1.00 24.55 ? 404 LYS A N 1 ATOM 468 C CA . LYS A 1 63 ? -18.474 9.356 32.015 1.00 25.62 ? 404 LYS A CA 1 ATOM 469 C C . LYS A 1 63 ? -17.474 9.127 33.147 1.00 25.64 ? 404 LYS A C 1 ATOM 470 O O . LYS A 1 63 ? -17.746 9.461 34.297 1.00 25.68 ? 404 LYS A O 1 ATOM 471 C CB . LYS A 1 63 ? -19.525 8.238 32.066 1.00 26.20 ? 404 LYS A CB 1 ATOM 472 C CG . LYS A 1 63 ? -20.739 8.465 31.198 1.00 27.86 ? 404 LYS A CG 1 ATOM 473 C CD . LYS A 1 63 ? -21.976 8.037 31.953 1.00 33.02 ? 404 LYS A CD 1 ATOM 474 C CE . LYS A 1 63 ? -23.224 8.724 31.433 1.00 35.22 ? 404 LYS A CE 1 ATOM 475 N NZ . LYS A 1 63 ? -22.956 10.147 31.058 1.00 38.56 ? 404 LYS A NZ 1 ATOM 476 N N . CYS A 1 64 ? -16.331 8.534 32.809 1.00 25.80 ? 405 CYS A N 1 ATOM 477 C CA . CYS A 1 64 ? -15.260 8.257 33.766 1.00 25.94 ? 405 CYS A CA 1 ATOM 478 C C . CYS A 1 64 ? -14.155 9.333 33.771 1.00 24.44 ? 405 CYS A C 1 ATOM 479 O O . CYS A 1 64 ? -13.138 9.191 34.446 1.00 23.51 ? 405 CYS A O 1 ATOM 480 C CB . CYS A 1 64 ? -14.682 6.856 33.506 1.00 26.85 ? 405 CYS A CB 1 ATOM 481 S SG . CYS A 1 64 ? -15.893 5.529 33.706 1.00 32.59 ? 405 CYS A SG 1 ATOM 482 N N . GLY A 1 65 ? -14.362 10.409 33.007 1.00 23.88 ? 406 GLY A N 1 ATOM 483 C CA . GLY A 1 65 ? -13.425 11.535 32.969 1.00 22.13 ? 406 GLY A CA 1 ATOM 484 C C . GLY A 1 65 ? -12.380 11.504 31.863 1.00 21.88 ? 406 GLY A C 1 ATOM 485 O O . GLY A 1 65 ? -11.532 12.392 31.799 1.00 22.28 ? 406 GLY A O 1 ATOM 486 N N . LEU A 1 66 ? -12.414 10.491 30.994 1.00 20.93 ? 407 LEU A N 1 ATOM 487 C CA . LEU A 1 66 ? -11.497 10.460 29.854 1.00 20.56 ? 407 LEU A CA 1 ATOM 488 C C . LEU A 1 66 ? -11.979 11.429 28.772 1.00 20.74 ? 407 LEU A C 1 ATOM 489 O O . LEU A 1 66 ? -13.172 11.683 28.642 1.00 21.33 ? 407 LEU A O 1 ATOM 490 C CB . LEU A 1 66 ? -11.314 9.029 29.292 1.00 20.23 ? 407 LEU A CB 1 ATOM 491 C CG . LEU A 1 66 ? -10.816 7.906 30.222 1.00 18.21 ? 407 LEU A CG 1 ATOM 492 C CD1 . LEU A 1 66 ? -10.231 6.818 29.386 1.00 19.00 ? 407 LEU A CD1 1 ATOM 493 C CD2 . LEU A 1 66 ? -9.766 8.403 31.230 1.00 17.54 ? 407 LEU A CD2 1 ATOM 494 N N . VAL A 1 67 ? -11.042 11.954 27.999 1.00 20.94 ? 408 VAL A N 1 ATOM 495 C CA . VAL A 1 67 ? -11.318 13.009 27.028 1.00 21.02 ? 408 VAL A CA 1 ATOM 496 C C . VAL A 1 67 ? -10.795 12.614 25.642 1.00 21.49 ? 408 VAL A C 1 ATOM 497 O O . VAL A 1 67 ? -9.741 11.983 25.534 1.00 21.09 ? 408 VAL A O 1 ATOM 498 C CB . VAL A 1 67 ? -10.716 14.402 27.469 1.00 20.91 ? 408 VAL A CB 1 ATOM 499 C CG1 . VAL A 1 67 ? -11.261 14.834 28.842 1.00 21.48 ? 408 VAL A CG1 1 ATOM 500 C CG2 . VAL A 1 67 ? -9.202 14.376 27.499 1.00 19.19 ? 408 VAL A CG2 1 ATOM 501 N N . PRO A 1 68 ? -11.544 12.973 24.579 1.00 21.74 ? 409 PRO A N 1 ATOM 502 C CA . PRO A 1 68 ? -11.049 12.818 23.206 1.00 22.17 ? 409 PRO A CA 1 ATOM 503 C C . PRO A 1 68 ? -9.829 13.704 22.978 1.00 21.91 ? 409 PRO A C 1 ATOM 504 O O . PRO A 1 68 ? -9.821 14.849 23.414 1.00 22.33 ? 409 PRO A O 1 ATOM 505 C CB . PRO A 1 68 ? -12.226 13.289 22.348 1.00 22.06 ? 409 PRO A CB 1 ATOM 506 C CG . PRO A 1 68 ? -13.028 14.222 23.278 1.00 23.20 ? 409 PRO A CG 1 ATOM 507 C CD . PRO A 1 68 ? -12.899 13.549 24.621 1.00 22.21 ? 409 PRO A CD 1 ATOM 508 N N . VAL A 1 69 ? -8.820 13.183 22.286 1.00 21.69 ? 410 VAL A N 1 ATOM 509 C CA . VAL A 1 69 ? -7.544 13.881 22.120 1.00 21.60 ? 410 VAL A CA 1 ATOM 510 C C . VAL A 1 69 ? -7.274 14.272 20.664 1.00 21.87 ? 410 VAL A C 1 ATOM 511 O O . VAL A 1 69 ? -6.965 15.430 20.375 1.00 21.79 ? 410 VAL A O 1 ATOM 512 C CB . VAL A 1 69 ? -6.384 13.020 22.710 1.00 21.94 ? 410 VAL A CB 1 ATOM 513 C CG1 . VAL A 1 69 ? -5.033 13.624 22.434 1.00 21.10 ? 410 VAL A CG1 1 ATOM 514 C CG2 . VAL A 1 69 ? -6.585 12.846 24.229 1.00 22.02 ? 410 VAL A CG2 1 ATOM 515 N N . LEU A 1 70 ? -7.375 13.277 19.781 1.00 21.99 ? 411 LEU A N 1 ATOM 516 C CA . LEU A 1 70 ? -7.218 13.370 18.325 1.00 21.98 ? 411 LEU A CA 1 ATOM 517 C C . LEU A 1 70 ? -8.164 12.327 17.715 1.00 22.41 ? 411 LEU A C 1 ATOM 518 O O . LEU A 1 70 ? -8.345 11.230 18.285 1.00 21.34 ? 411 LEU A O 1 ATOM 519 C CB . LEU A 1 70 ? -5.787 13.037 17.883 1.00 21.91 ? 411 LEU A CB 1 ATOM 520 C CG . LEU A 1 70 ? -4.622 13.926 18.328 1.00 22.78 ? 411 LEU A CG 1 ATOM 521 C CD1 . LEU A 1 70 ? -3.316 13.171 18.164 1.00 22.71 ? 411 LEU A CD1 1 ATOM 522 C CD2 . LEU A 1 70 ? -4.596 15.249 17.565 1.00 21.48 ? 411 LEU A CD2 1 ATOM 523 N N . ALA A 1 71 ? -8.760 12.673 16.574 1.00 22.47 ? 412 ALA A N 1 ATOM 524 C CA . ALA A 1 71 ? -9.697 11.791 15.892 1.00 23.57 ? 412 ALA A CA 1 ATOM 525 C C . ALA A 1 71 ? -9.128 11.169 14.609 1.00 24.53 ? 412 ALA A C 1 ATOM 526 O O . ALA A 1 71 ? -8.319 11.778 13.917 1.00 24.57 ? 412 ALA A O 1 ATOM 527 C CB . ALA A 1 71 ? -10.979 12.522 15.593 1.00 23.48 ? 412 ALA A CB 1 ATOM 528 N N . GLU A 1 72 ? -9.577 9.960 14.283 1.00 26.03 ? 413 GLU A N 1 ATOM 529 C CA . GLU A 1 72 ? -9.296 9.384 12.963 1.00 26.72 ? 413 GLU A CA 1 ATOM 530 C C . GLU A 1 72 ? -9.927 10.256 11.865 1.00 28.60 ? 413 GLU A C 1 ATOM 531 O O . GLU A 1 72 ? -11.085 10.668 11.957 1.00 27.92 ? 413 GLU A O 1 ATOM 532 C CB . GLU A 1 72 ? -9.840 7.956 12.844 1.00 26.65 ? 413 GLU A CB 1 ATOM 533 C CG . GLU A 1 72 ? -9.064 6.868 13.563 1.00 24.99 ? 413 GLU A CG 1 ATOM 534 C CD . GLU A 1 72 ? -9.645 5.479 13.309 1.00 24.91 ? 413 GLU A CD 1 ATOM 535 O OE1 . GLU A 1 72 ? -10.681 5.347 12.631 1.00 24.58 ? 413 GLU A OE1 1 ATOM 536 O OE2 . GLU A 1 72 ? -9.072 4.500 13.796 1.00 22.11 ? 413 GLU A OE2 1 ATOM 537 N N . ASN A 1 73 ? -9.139 10.528 10.833 1.00 31.12 ? 414 ASN A N 1 ATOM 538 C CA . ASN A 1 73 ? -9.600 11.290 9.699 1.00 34.39 ? 414 ASN A CA 1 ATOM 539 C C . ASN A 1 73 ? -9.258 10.467 8.476 1.00 36.92 ? 414 ASN A C 1 ATOM 540 O O . ASN A 1 73 ? -8.102 10.089 8.283 1.00 37.22 ? 414 ASN A O 1 ATOM 541 C CB . ASN A 1 73 ? -8.898 12.650 9.664 1.00 34.00 ? 414 ASN A CB 1 ATOM 542 C CG . ASN A 1 73 ? -9.797 13.782 9.179 1.00 34.41 ? 414 ASN A CG 1 ATOM 543 O OD1 . ASN A 1 73 ? -9.425 14.957 9.260 1.00 35.69 ? 414 ASN A OD1 1 ATOM 544 N ND2 . ASN A 1 73 ? -10.973 13.442 8.673 1.00 35.16 ? 414 ASN A ND2 1 ATOM 545 N N . ARG A 1 74 ? -10.262 10.129 7.680 1.00 40.38 ? 415 ARG A N 1 ATOM 546 C CA . ARG A 1 74 ? -10.003 9.380 6.449 1.00 44.36 ? 415 ARG A CA 1 ATOM 547 C C . ARG A 1 74 ? -10.017 10.353 5.261 1.00 46.54 ? 415 ARG A C 1 ATOM 548 O O . ARG A 1 74 ? -10.303 11.549 5.436 1.00 46.81 ? 415 ARG A O 1 ATOM 549 C CB . ARG A 1 74 ? -11.011 8.237 6.274 1.00 43.97 ? 415 ARG A CB 1 ATOM 550 C CG . ARG A 1 74 ? -12.404 8.707 5.943 1.00 44.87 ? 415 ARG A CG 1 ATOM 551 C CD . ARG A 1 74 ? -13.399 7.573 5.772 1.00 45.90 ? 415 ARG A CD 1 ATOM 552 N NE . ARG A 1 74 ? -14.758 8.099 5.589 1.00 48.43 ? 415 ARG A NE 1 ATOM 553 C CZ . ARG A 1 74 ? -15.466 8.712 6.540 1.00 49.74 ? 415 ARG A CZ 1 ATOM 554 N NH1 . ARG A 1 74 ? -14.962 8.881 7.758 1.00 50.19 ? 415 ARG A NH1 1 ATOM 555 N NH2 . ARG A 1 74 ? -16.687 9.161 6.276 1.00 50.36 ? 415 ARG A NH2 1 ATOM 556 N N . LYS A 1 75 ? -9.702 9.859 4.064 1.00 49.72 ? 416 LYS A N 1 ATOM 557 C CA . LYS A 1 75 ? -9.708 10.726 2.876 1.00 52.85 ? 416 LYS A CA 1 ATOM 558 C C . LYS A 1 75 ? -11.096 11.284 2.502 1.00 54.44 ? 416 LYS A C 1 ATOM 559 O O . LYS A 1 75 ? -12.121 10.628 2.689 1.00 54.44 ? 416 LYS A O 1 ATOM 560 C CB . LYS A 1 75 ? -9.020 10.067 1.677 1.00 52.76 ? 416 LYS A CB 1 ATOM 561 C CG . LYS A 1 75 ? -9.355 8.607 1.410 1.00 53.41 ? 416 LYS A CG 1 ATOM 562 C CD . LYS A 1 75 ? -8.323 8.013 0.423 1.00 54.05 ? 416 LYS A CD 1 ATOM 563 C CE . LYS A 1 75 ? -7.038 7.485 1.128 1.00 56.26 ? 416 LYS A CE 1 ATOM 564 N NZ . LYS A 1 75 ? -6.350 8.451 2.060 1.00 55.71 ? 416 LYS A NZ 1 ATOM 565 N N . SER A 1 76 ? -11.109 12.514 2.002 1.00 56.89 ? 417 SER A N 1 ATOM 566 C CA . SER A 1 76 ? -12.346 13.162 1.588 1.00 59.29 ? 417 SER A CA 1 ATOM 567 C C . SER A 1 76 ? -12.123 14.097 0.403 1.00 61.01 ? 417 SER A C 1 ATOM 568 O O . SER A 1 76 ? -11.113 14.816 0.335 1.00 61.36 ? 417 SER A O 1 ATOM 569 C CB . SER A 1 76 ? -12.930 13.956 2.749 1.00 59.28 ? 417 SER A CB 1 ATOM 570 O OG . SER A 1 76 ? -12.022 14.961 3.163 1.00 59.73 ? 417 SER A OG 1 ATOM 571 N N . SER A 1 77 ? -13.085 14.096 -0.516 1.00 62.86 ? 418 SER A N 1 ATOM 572 C CA . SER A 1 77 ? -13.079 15.003 -1.669 1.00 64.54 ? 418 SER A CA 1 ATOM 573 C C . SER A 1 77 ? -13.285 16.476 -1.265 1.00 65.59 ? 418 SER A C 1 ATOM 574 O O . SER A 1 77 ? -12.938 17.396 -2.024 1.00 65.87 ? 418 SER A O 1 ATOM 575 C CB . SER A 1 77 ? -14.152 14.567 -2.673 1.00 64.59 ? 418 SER A CB 1 ATOM 576 O OG . SER A 1 77 ? -15.341 14.179 -1.999 1.00 64.90 ? 418 SER A OG 1 ATOM 577 N N . LYS A 1 78 ? -13.846 16.677 -0.068 1.00 66.62 ? 419 LYS A N 1 ATOM 578 C CA . LYS A 1 78 ? -14.090 18.004 0.507 1.00 67.51 ? 419 LYS A CA 1 ATOM 579 C C . LYS A 1 78 ? -12.947 18.421 1.457 1.00 67.91 ? 419 LYS A C 1 ATOM 580 O O . LYS A 1 78 ? -12.202 17.567 1.966 1.00 68.02 ? 419 LYS A O 1 ATOM 581 C CB . LYS A 1 78 ? -15.441 18.013 1.235 1.00 67.62 ? 419 LYS A CB 1 ATOM 582 C CG . LYS A 1 78 ? -16.264 19.281 1.039 1.00 68.60 ? 419 LYS A CG 1 ATOM 583 C CD . LYS A 1 78 ? -16.156 20.241 2.222 1.00 70.19 ? 419 LYS A CD 1 ATOM 584 C CE . LYS A 1 78 ? -16.879 21.566 1.941 1.00 70.69 ? 419 LYS A CE 1 ATOM 585 N NZ . LYS A 1 78 ? -16.736 22.554 3.056 1.00 70.78 ? 419 LYS A NZ 1 ATOM 586 N N . HIS A 1 79 ? -12.819 19.737 1.674 1.00 68.24 ? 420 HIS A N 1 ATOM 587 C CA . HIS A 1 79 ? -11.714 20.355 2.446 1.00 68.27 ? 420 HIS A CA 1 ATOM 588 C C . HIS A 1 79 ? -10.325 19.910 1.969 1.00 67.68 ? 420 HIS A C 1 ATOM 589 O O . HIS A 1 79 ? -9.314 20.134 2.645 1.00 67.67 ? 420 HIS A O 1 ATOM 590 C CB . HIS A 1 79 ? -11.884 20.133 3.955 1.00 68.62 ? 420 HIS A CB 1 ATOM 591 C CG . HIS A 1 79 ? -13.029 20.889 4.554 1.00 70.11 ? 420 HIS A CG 1 ATOM 592 N ND1 . HIS A 1 79 ? -14.193 20.273 4.967 1.00 71.64 ? 420 HIS A ND1 1 ATOM 593 C CD2 . HIS A 1 79 ? -13.190 22.210 4.810 1.00 71.47 ? 420 HIS A CD2 1 ATOM 594 C CE1 . HIS A 1 79 ? -15.021 21.183 5.452 1.00 72.46 ? 420 HIS A CE1 1 ATOM 595 N NE2 . HIS A 1 79 ? -14.438 22.367 5.366 1.00 72.28 ? 420 HIS A NE2 1 ATOM 596 N N . SER A 1 80 ? -10.313 19.312 0.776 1.00 66.93 ? 421 SER A N 1 ATOM 597 C CA . SER A 1 80 ? -9.137 18.718 0.124 1.00 65.93 ? 421 SER A CA 1 ATOM 598 C C . SER A 1 80 ? -7.878 19.597 0.074 1.00 64.86 ? 421 SER A C 1 ATOM 599 O O . SER A 1 80 ? -6.763 19.080 -0.076 1.00 65.00 ? 421 SER A O 1 ATOM 600 C CB . SER A 1 80 ? -9.515 18.276 -1.296 1.00 66.18 ? 421 SER A CB 1 ATOM 601 O OG . SER A 1 80 ? -10.152 19.332 -2.006 1.00 66.74 ? 421 SER A OG 1 ATOM 602 N N . SER A 1 81 ? -8.054 20.914 0.178 1.00 63.18 ? 422 SER A N 1 ATOM 603 C CA . SER A 1 81 ? -6.913 21.829 0.257 1.00 61.56 ? 422 SER A CA 1 ATOM 604 C C . SER A 1 81 ? -6.274 21.777 1.647 1.00 60.05 ? 422 SER A C 1 ATOM 605 O O . SER A 1 81 ? -5.043 21.702 1.769 1.00 60.06 ? 422 SER A O 1 ATOM 606 C CB . SER A 1 81 ? -7.309 23.267 -0.121 1.00 61.73 ? 422 SER A CB 1 ATOM 607 O OG . SER A 1 81 ? -8.585 23.605 0.394 1.00 62.53 ? 422 SER A OG 1 ATOM 608 N N . LEU A 1 82 ? -7.120 21.800 2.682 1.00 57.72 ? 423 LEU A N 1 ATOM 609 C CA . LEU A 1 82 ? -6.667 21.742 4.073 1.00 55.20 ? 423 LEU A CA 1 ATOM 610 C C . LEU A 1 82 ? -5.884 20.469 4.383 1.00 52.99 ? 423 LEU A C 1 ATOM 611 O O . LEU A 1 82 ? -6.223 19.381 3.904 1.00 52.71 ? 423 LEU A O 1 ATOM 612 C CB . LEU A 1 82 ? -7.845 21.880 5.045 1.00 55.54 ? 423 LEU A CB 1 ATOM 613 C CG . LEU A 1 82 ? -7.976 23.159 5.880 1.00 55.70 ? 423 LEU A CG 1 ATOM 614 C CD1 . LEU A 1 82 ? -9.098 22.981 6.899 1.00 56.22 ? 423 LEU A CD1 1 ATOM 615 C CD2 . LEU A 1 82 ? -6.668 23.525 6.588 1.00 55.58 ? 423 LEU A CD2 1 ATOM 616 N N . ASP A 1 83 ? -4.831 20.620 5.184 1.00 50.03 ? 424 ASP A N 1 ATOM 617 C CA . ASP A 1 83 ? -4.036 19.479 5.610 1.00 47.20 ? 424 ASP A CA 1 ATOM 618 C C . ASP A 1 83 ? -4.884 18.539 6.451 1.00 44.54 ? 424 ASP A C 1 ATOM 619 O O . ASP A 1 83 ? -5.802 18.986 7.147 1.00 43.58 ? 424 ASP A O 1 ATOM 620 C CB . ASP A 1 83 ? -2.823 19.922 6.407 1.00 47.82 ? 424 ASP A CB 1 ATOM 621 C CG . ASP A 1 83 ? -1.717 18.902 6.364 1.00 49.46 ? 424 ASP A CG 1 ATOM 622 O OD1 . ASP A 1 83 ? -1.111 18.746 5.278 1.00 51.22 ? 424 ASP A OD1 1 ATOM 623 O OD2 . ASP A 1 83 ? -1.462 18.250 7.403 1.00 50.59 ? 424 ASP A OD2 1 ATOM 624 N N . CYS A 1 84 ? -4.585 17.242 6.368 1.00 41.09 ? 425 CYS A N 1 ATOM 625 C CA . CYS A 1 84 ? -5.387 16.216 7.051 1.00 39.34 ? 425 CYS A CA 1 ATOM 626 C C . CYS A 1 84 ? -5.560 16.508 8.549 1.00 38.39 ? 425 CYS A C 1 ATOM 627 O O . CYS A 1 84 ? -6.680 16.470 9.058 1.00 37.75 ? 425 CYS A O 1 ATOM 628 C CB . CYS A 1 84 ? -4.807 14.818 6.816 1.00 38.45 ? 425 CYS A CB 1 ATOM 629 S SG . CYS A 1 84 ? -5.767 13.478 7.589 1.00 37.70 ? 425 CYS A SG 1 ATOM 630 N N . VAL A 1 85 ? -4.452 16.846 9.217 1.00 38.00 ? 426 VAL A N 1 ATOM 631 C CA . VAL A 1 85 ? -4.401 17.094 10.669 1.00 37.98 ? 426 VAL A CA 1 ATOM 632 C C . VAL A 1 85 ? -5.324 18.235 11.122 1.00 38.03 ? 426 VAL A C 1 ATOM 633 O O . VAL A 1 85 ? -5.823 18.237 12.249 1.00 37.27 ? 426 VAL A O 1 ATOM 634 C CB . VAL A 1 85 ? -2.922 17.310 11.161 1.00 38.27 ? 426 VAL A CB 1 ATOM 635 C CG1 . VAL A 1 85 ? -2.866 17.825 12.600 1.00 38.70 ? 426 VAL A CG1 1 ATOM 636 C CG2 . VAL A 1 85 ? -2.116 16.022 11.040 1.00 37.29 ? 426 VAL A CG2 1 ATOM 637 N N . LEU A 1 86 ? -5.571 19.183 10.223 1.00 38.49 ? 427 LEU A N 1 ATOM 638 C CA . LEU A 1 86 ? -6.432 20.328 10.516 1.00 38.95 ? 427 LEU A CA 1 ATOM 639 C C . LEU A 1 86 ? -7.848 20.205 9.934 1.00 39.17 ? 427 LEU A C 1 ATOM 640 O O . LEU A 1 86 ? -8.743 20.959 10.315 1.00 39.72 ? 427 LEU A O 1 ATOM 641 C CB . LEU A 1 86 ? -5.769 21.626 10.022 1.00 39.18 ? 427 LEU A CB 1 ATOM 642 C CG . LEU A 1 86 ? -4.454 22.042 10.695 1.00 39.11 ? 427 LEU A CG 1 ATOM 643 C CD1 . LEU A 1 86 ? -3.746 23.107 9.871 1.00 38.24 ? 427 LEU A CD1 1 ATOM 644 C CD2 . LEU A 1 86 ? -4.692 22.530 12.135 1.00 39.02 ? 427 LEU A CD2 1 ATOM 645 N N . ARG A 1 87 ? -8.055 19.259 9.023 1.00 39.36 ? 428 ARG A N 1 ATOM 646 C CA . ARG A 1 87 ? -9.349 19.103 8.357 1.00 39.55 ? 428 ARG A CA 1 ATOM 647 C C . ARG A 1 87 ? -10.415 18.568 9.319 1.00 38.83 ? 428 ARG A C 1 ATOM 648 O O . ARG A 1 87 ? -10.139 17.651 10.101 1.00 39.41 ? 428 ARG A O 1 ATOM 649 C CB . ARG A 1 87 ? -9.216 18.189 7.137 1.00 39.62 ? 428 ARG A CB 1 ATOM 650 C CG . ARG A 1 87 ? -10.484 18.118 6.275 1.00 41.00 ? 428 ARG A CG 1 ATOM 651 C CD . ARG A 1 87 ? -10.477 16.953 5.289 1.00 41.19 ? 428 ARG A CD 1 ATOM 652 N NE . ARG A 1 87 ? -9.165 16.749 4.684 1.00 44.22 ? 428 ARG A NE 1 ATOM 653 C CZ . ARG A 1 87 ? -8.488 15.606 4.716 1.00 44.95 ? 428 ARG A CZ 1 ATOM 654 N NH1 . ARG A 1 87 ? -9.006 14.534 5.311 1.00 45.83 ? 428 ARG A NH1 1 ATOM 655 N NH2 . ARG A 1 87 ? -7.293 15.537 4.138 1.00 44.82 ? 428 ARG A NH2 1 ATOM 656 N N . PRO A 1 88 ? -11.638 19.143 9.278 1.00 38.27 ? 429 PRO A N 1 ATOM 657 C CA . PRO A 1 88 ? -12.696 18.621 10.163 1.00 37.51 ? 429 PRO A CA 1 ATOM 658 C C . PRO A 1 88 ? -12.998 17.155 9.820 1.00 36.91 ? 429 PRO A C 1 ATOM 659 O O . PRO A 1 88 ? -12.790 16.737 8.683 1.00 36.09 ? 429 PRO A O 1 ATOM 660 C CB . PRO A 1 88 ? -13.915 19.503 9.839 1.00 37.40 ? 429 PRO A CB 1 ATOM 661 C CG . PRO A 1 88 ? -13.367 20.700 9.098 1.00 37.74 ? 429 PRO A CG 1 ATOM 662 C CD . PRO A 1 88 ? -12.110 20.257 8.427 1.00 38.02 ? 429 PRO A CD 1 ATOM 663 N N . THR A 1 89 ? -13.474 16.390 10.799 1.00 36.46 ? 430 THR A N 1 ATOM 664 C CA . THR A 1 89 ? -13.829 14.999 10.548 1.00 36.33 ? 430 THR A CA 1 ATOM 665 C C . THR A 1 89 ? -15.225 14.923 9.933 1.00 36.22 ? 430 THR A C 1 ATOM 666 O O . THR A 1 89 ? -16.081 15.777 10.199 1.00 36.13 ? 430 THR A O 1 ATOM 667 C CB . THR A 1 89 ? -13.777 14.152 11.832 1.00 36.34 ? 430 THR A CB 1 ATOM 668 O OG1 . THR A 1 89 ? -14.736 14.652 12.769 1.00 36.81 ? 430 THR A OG1 1 ATOM 669 C CG2 . THR A 1 89 ? -12.372 14.172 12.448 1.00 35.37 ? 430 THR A CG2 1 ATOM 670 N N . GLU A 1 90 ? -15.463 13.905 9.112 1.00 35.92 ? 431 GLU A N 1 ATOM 671 C CA . GLU A 1 90 ? -16.771 13.793 8.465 1.00 35.68 ? 431 GLU A CA 1 ATOM 672 C C . GLU A 1 90 ? -17.746 12.797 9.075 1.00 34.30 ? 431 GLU A C 1 ATOM 673 O O . GLU A 1 90 ? -18.958 12.938 8.923 1.00 35.54 ? 431 GLU A O 1 ATOM 674 C CB . GLU A 1 90 ? -16.624 13.577 6.966 1.00 36.23 ? 431 GLU A CB 1 ATOM 675 C CG . GLU A 1 90 ? -16.316 14.892 6.250 1.00 39.77 ? 431 GLU A CG 1 ATOM 676 C CD . GLU A 1 90 ? -15.850 14.684 4.840 1.00 43.19 ? 431 GLU A CD 1 ATOM 677 O OE1 . GLU A 1 90 ? -16.544 13.967 4.088 1.00 45.35 ? 431 GLU A OE1 1 ATOM 678 O OE2 . GLU A 1 90 ? -14.790 15.236 4.490 1.00 44.74 ? 431 GLU A OE2 1 ATOM 679 N N . GLY A 1 91 ? -17.249 11.808 9.784 1.00 32.25 ? 432 GLY A N 1 ATOM 680 C CA . GLY A 1 91 ? -18.158 10.855 10.392 1.00 29.81 ? 432 GLY A CA 1 ATOM 681 C C . GLY A 1 91 ? -18.379 9.717 9.416 1.00 28.28 ? 432 GLY A C 1 ATOM 682 O O . GLY A 1 91 ? -18.215 9.880 8.199 1.00 29.05 ? 432 GLY A O 1 ATOM 683 N N . TYR A 1 92 ? -18.738 8.554 9.926 1.00 25.27 ? 433 TYR A N 1 ATOM 684 C CA . TYR A 1 92 ? -18.945 7.449 9.028 1.00 22.32 ? 433 TYR A CA 1 ATOM 685 C C . TYR A 1 92 ? -20.401 7.066 8.993 1.00 21.46 ? 433 TYR A C 1 ATOM 686 O O . TYR A 1 92 ? -21.171 7.450 9.871 1.00 21.00 ? 433 TYR A O 1 ATOM 687 C CB . TYR A 1 92 ? -18.005 6.286 9.343 1.00 21.60 ? 433 TYR A CB 1 ATOM 688 C CG . TYR A 1 92 ? -18.010 5.701 10.746 1.00 19.70 ? 433 TYR A CG 1 ATOM 689 C CD1 . TYR A 1 92 ? -18.788 4.582 11.037 1.00 20.46 ? 433 TYR A CD1 1 ATOM 690 C CD2 . TYR A 1 92 ? -17.171 6.203 11.751 1.00 19.58 ? 433 TYR A CD2 1 ATOM 691 C CE1 . TYR A 1 92 ? -18.777 3.992 12.304 1.00 18.85 ? 433 TYR A CE1 1 ATOM 692 C CE2 . TYR A 1 92 ? -17.148 5.613 13.045 1.00 17.50 ? 433 TYR A CE2 1 ATOM 693 C CZ . TYR A 1 92 ? -17.952 4.512 13.301 1.00 19.41 ? 433 TYR A CZ 1 ATOM 694 O OH . TYR A 1 92 ? -17.956 3.887 14.546 1.00 18.25 ? 433 TYR A OH 1 ATOM 695 N N . LEU A 1 93 ? -20.784 6.330 7.962 1.00 20.58 ? 434 LEU A N 1 ATOM 696 C CA . LEU A 1 93 ? -22.163 5.927 7.815 1.00 20.08 ? 434 LEU A CA 1 ATOM 697 C C . LEU A 1 93 ? -22.375 4.539 8.391 1.00 19.72 ? 434 LEU A C 1 ATOM 698 O O . LEU A 1 93 ? -21.760 3.597 7.918 1.00 19.94 ? 434 LEU A O 1 ATOM 699 C CB . LEU A 1 93 ? -22.564 5.958 6.342 1.00 20.27 ? 434 LEU A CB 1 ATOM 700 C CG . LEU A 1 93 ? -22.471 7.288 5.587 1.00 21.03 ? 434 LEU A CG 1 ATOM 701 C CD1 . LEU A 1 93 ? -22.884 7.080 4.162 1.00 21.13 ? 434 LEU A CD1 1 ATOM 702 C CD2 . LEU A 1 93 ? -23.320 8.367 6.234 1.00 21.66 ? 434 LEU A CD2 1 ATOM 703 N N . ALA A 1 94 ? -23.239 4.428 9.403 1.00 18.91 ? 435 ALA A N 1 ATOM 704 C CA . ALA A 1 94 ? -23.695 3.148 9.905 1.00 19.21 ? 435 ALA A CA 1 ATOM 705 C C . ALA A 1 94 ? -24.734 2.559 8.939 1.00 19.12 ? 435 ALA A C 1 ATOM 706 O O . ALA A 1 94 ? -25.745 3.211 8.660 1.00 19.01 ? 435 ALA A O 1 ATOM 707 C CB . ALA A 1 94 ? -24.304 3.306 11.292 1.00 18.80 ? 435 ALA A CB 1 ATOM 708 N N . VAL A 1 95 ? -24.487 1.344 8.434 1.00 18.72 ? 436 VAL A N 1 ATOM 709 C CA . VAL A 1 95 ? -25.426 0.674 7.496 1.00 18.62 ? 436 VAL A CA 1 ATOM 710 C C . VAL A 1 95 ? -25.843 -0.725 7.962 1.00 19.51 ? 436 VAL A C 1 ATOM 711 O O . VAL A 1 95 ? -25.159 -1.330 8.791 1.00 19.89 ? 436 VAL A O 1 ATOM 712 C CB . VAL A 1 95 ? -24.848 0.557 6.040 1.00 18.78 ? 436 VAL A CB 1 ATOM 713 C CG1 . VAL A 1 95 ? -24.726 1.933 5.372 1.00 17.21 ? 436 VAL A CG1 1 ATOM 714 C CG2 . VAL A 1 95 ? -23.508 -0.181 6.021 1.00 17.12 ? 436 VAL A CG2 1 ATOM 715 N N . ALA A 1 96 ? -26.963 -1.236 7.436 1.00 19.77 ? 437 ALA A N 1 ATOM 716 C CA . ALA A 1 96 ? -27.337 -2.648 7.610 1.00 19.63 ? 437 ALA A CA 1 ATOM 717 C C . ALA A 1 96 ? -27.169 -3.324 6.263 1.00 19.66 ? 437 ALA A C 1 ATOM 718 O O . ALA A 1 96 ? -27.664 -2.820 5.274 1.00 18.73 ? 437 ALA A O 1 ATOM 719 C CB . ALA A 1 96 ? -28.771 -2.784 8.102 1.00 19.84 ? 437 ALA A CB 1 ATOM 720 N N . VAL A 1 97 ? -26.446 -4.445 6.228 1.00 19.84 ? 438 VAL A N 1 ATOM 721 C CA . VAL A 1 97 ? -26.068 -5.105 4.970 1.00 20.20 ? 438 VAL A CA 1 ATOM 722 C C . VAL A 1 97 ? -26.601 -6.540 4.916 1.00 20.94 ? 438 VAL A C 1 ATOM 723 O O . VAL A 1 97 ? -26.523 -7.291 5.894 1.00 20.91 ? 438 VAL A O 1 ATOM 724 C CB . VAL A 1 97 ? -24.536 -5.093 4.779 1.00 20.10 ? 438 VAL A CB 1 ATOM 725 C CG1 . VAL A 1 97 ? -24.113 -5.527 3.367 1.00 18.54 ? 438 VAL A CG1 1 ATOM 726 C CG2 . VAL A 1 97 ? -23.995 -3.716 5.091 1.00 21.82 ? 438 VAL A CG2 1 ATOM 727 N N . VAL A 1 98 ? -27.160 -6.902 3.761 1.00 21.70 ? 439 VAL A N 1 ATOM 728 C CA . VAL A 1 98 ? -27.670 -8.249 3.496 1.00 21.44 ? 439 VAL A CA 1 ATOM 729 C C . VAL A 1 98 ? -27.146 -8.748 2.145 1.00 22.14 ? 439 VAL A C 1 ATOM 730 O O . VAL A 1 98 ? -26.562 -7.996 1.371 1.00 21.65 ? 439 VAL A O 1 ATOM 731 C CB . VAL A 1 98 ? -29.228 -8.293 3.480 1.00 21.95 ? 439 VAL A CB 1 ATOM 732 C CG1 . VAL A 1 98 ? -29.803 -7.862 4.822 1.00 20.99 ? 439 VAL A CG1 1 ATOM 733 C CG2 . VAL A 1 98 ? -29.819 -7.461 2.300 1.00 19.82 ? 439 VAL A CG2 1 ATOM 734 N N . LYS A 1 99 ? -27.358 -10.027 1.869 1.00 22.72 ? 440 LYS A N 1 ATOM 735 C CA . LYS A 1 99 ? -27.107 -10.576 0.550 1.00 23.11 ? 440 LYS A CA 1 ATOM 736 C C . LYS A 1 99 ? -28.268 -10.229 -0.359 1.00 23.33 ? 440 LYS A C 1 ATOM 737 O O . LYS A 1 99 ? -29.431 -10.294 0.046 1.00 22.74 ? 440 LYS A O 1 ATOM 738 C CB . LYS A 1 99 ? -26.968 -12.096 0.639 1.00 23.59 ? 440 LYS A CB 1 ATOM 739 C CG . LYS A 1 99 ? -25.578 -12.632 0.293 1.00 24.29 ? 440 LYS A CG 1 ATOM 740 C CD . LYS A 1 99 ? -24.559 -12.285 1.333 1.00 24.61 ? 440 LYS A CD 1 ATOM 741 C CE . LYS A 1 99 ? -23.268 -13.045 1.102 1.00 24.91 ? 440 LYS A CE 1 ATOM 742 N NZ . LYS A 1 99 ? -23.430 -14.538 1.102 1.00 24.15 ? 440 LYS A NZ 1 ATOM 743 N N . LYS A 1 100 ? -27.948 -9.844 -1.585 1.00 24.18 ? 441 LYS A N 1 ATOM 744 C CA . LYS A 1 100 ? -28.958 -9.628 -2.609 1.00 25.70 ? 441 LYS A CA 1 ATOM 745 C C . LYS A 1 100 ? -29.848 -10.875 -2.778 1.00 25.57 ? 441 LYS A C 1 ATOM 746 O O . LYS A 1 100 ? -31.075 -10.757 -2.849 1.00 25.57 ? 441 LYS A O 1 ATOM 747 C CB . LYS A 1 100 ? -28.283 -9.253 -3.926 1.00 26.06 ? 441 LYS A CB 1 ATOM 748 C CG . LYS A 1 100 ? -29.237 -9.119 -5.098 1.00 28.96 ? 441 LYS A CG 1 ATOM 749 C CD . LYS A 1 100 ? -28.434 -8.970 -6.377 1.00 34.77 ? 441 LYS A CD 1 ATOM 750 C CE . LYS A 1 100 ? -29.272 -9.217 -7.608 1.00 38.90 ? 441 LYS A CE 1 ATOM 751 N NZ . LYS A 1 100 ? -28.464 -8.870 -8.834 1.00 43.99 ? 441 LYS A NZ 1 ATOM 752 N N . ALA A 1 101 ? -29.225 -12.055 -2.789 1.00 25.87 ? 442 ALA A N 1 ATOM 753 C CA . ALA A 1 101 ? -29.924 -13.344 -2.943 1.00 26.55 ? 442 ALA A CA 1 ATOM 754 C C . ALA A 1 101 ? -30.929 -13.666 -1.839 1.00 27.50 ? 442 ALA A C 1 ATOM 755 O O . ALA A 1 101 ? -31.801 -14.534 -2.017 1.00 28.25 ? 442 ALA A O 1 ATOM 756 C CB . ALA A 1 101 ? -28.929 -14.460 -3.077 1.00 26.33 ? 442 ALA A CB 1 ATOM 757 N N . ASN A 1 102 ? -30.818 -12.972 -0.705 1.00 28.32 ? 443 ASN A N 1 ATOM 758 C CA . ASN A 1 102 ? -31.783 -13.088 0.387 1.00 29.14 ? 443 ASN A CA 1 ATOM 759 C C . ASN A 1 102 ? -32.909 -12.122 0.089 1.00 29.64 ? 443 ASN A C 1 ATOM 760 O O . ASN A 1 102 ? -33.003 -11.040 0.683 1.00 29.92 ? 443 ASN A O 1 ATOM 761 C CB . ASN A 1 102 ? -31.113 -12.740 1.716 1.00 29.67 ? 443 ASN A CB 1 ATOM 762 C CG . ASN A 1 102 ? -31.744 -13.433 2.899 1.00 30.98 ? 443 ASN A CG 1 ATOM 763 O OD1 . ASN A 1 102 ? -32.941 -13.713 2.919 1.00 32.69 ? 443 ASN A OD1 1 ATOM 764 N ND2 . ASN A 1 102 ? -30.935 -13.698 3.911 1.00 32.26 ? 443 ASN A ND2 1 ATOM 765 N N . GLU A 1 103 ? -33.758 -12.516 -0.854 1.00 30.16 ? 444 GLU A N 1 ATOM 766 C CA . GLU A 1 103 ? -34.772 -11.630 -1.406 1.00 30.81 ? 444 GLU A CA 1 ATOM 767 C C . GLU A 1 103 ? -35.877 -11.341 -0.422 1.00 31.40 ? 444 GLU A C 1 ATOM 768 O O . GLU A 1 103 ? -36.193 -12.164 0.464 1.00 31.85 ? 444 GLU A O 1 ATOM 769 C CB . GLU A 1 103 ? -35.356 -12.225 -2.674 1.00 30.83 ? 444 GLU A CB 1 ATOM 770 C CG . GLU A 1 103 ? -34.437 -12.107 -3.842 1.00 31.18 ? 444 GLU A CG 1 ATOM 771 C CD . GLU A 1 103 ? -34.885 -12.945 -5.007 1.00 32.51 ? 444 GLU A CD 1 ATOM 772 O OE1 . GLU A 1 103 ? -34.000 -13.520 -5.676 1.00 34.38 ? 444 GLU A OE1 1 ATOM 773 O OE2 . GLU A 1 103 ? -36.108 -13.047 -5.251 1.00 33.65 ? 444 GLU A OE2 1 ATOM 774 N N . GLY A 1 104 ? -36.459 -10.159 -0.549 1.00 31.44 ? 445 GLY A N 1 ATOM 775 C CA . GLY A 1 104 ? -37.523 -9.783 0.372 1.00 32.29 ? 445 GLY A CA 1 ATOM 776 C C . GLY A 1 104 ? -37.142 -9.742 1.846 1.00 32.53 ? 445 GLY A C 1 ATOM 777 O O . GLY A 1 104 ? -38.017 -9.778 2.710 1.00 33.44 ? 445 GLY A O 1 ATOM 778 N N . LEU A 1 105 ? -35.846 -9.678 2.154 1.00 32.06 ? 446 LEU A N 1 ATOM 779 C CA . LEU A 1 105 ? -35.433 -9.292 3.491 1.00 31.48 ? 446 LEU A CA 1 ATOM 780 C C . LEU A 1 105 ? -35.248 -7.778 3.486 1.00 30.91 ? 446 LEU A C 1 ATOM 781 O O . LEU A 1 105 ? -34.456 -7.252 2.703 1.00 30.92 ? 446 LEU A O 1 ATOM 782 C CB . LEU A 1 105 ? -34.156 -10.012 3.929 1.00 31.60 ? 446 LEU A CB 1 ATOM 783 C CG . LEU A 1 105 ? -33.555 -9.668 5.295 1.00 31.98 ? 446 LEU A CG 1 ATOM 784 C CD1 . LEU A 1 105 ? -34.605 -9.683 6.414 1.00 32.79 ? 446 LEU A CD1 1 ATOM 785 C CD2 . LEU A 1 105 ? -32.410 -10.607 5.619 1.00 31.86 ? 446 LEU A CD2 1 ATOM 786 N N . THR A 1 106 ? -36.016 -7.097 4.335 1.00 30.15 ? 447 THR A N 1 ATOM 787 C CA . THR A 1 106 ? -35.955 -5.649 4.499 1.00 29.74 ? 447 THR A CA 1 ATOM 788 C C . THR A 1 106 ? -35.900 -5.330 6.000 1.00 29.71 ? 447 THR A C 1 ATOM 789 O O . THR A 1 106 ? -36.078 -6.219 6.822 1.00 29.77 ? 447 THR A O 1 ATOM 790 C CB . THR A 1 106 ? -37.204 -4.940 3.886 1.00 29.59 ? 447 THR A CB 1 ATOM 791 O OG1 . THR A 1 106 ? -38.352 -5.181 4.705 1.00 29.25 ? 447 THR A OG1 1 ATOM 792 C CG2 . THR A 1 106 ? -37.495 -5.412 2.475 1.00 29.62 ? 447 THR A CG2 1 ATOM 793 N N . TRP A 1 107 ? -35.680 -4.064 6.346 1.00 29.55 ? 448 TRP A N 1 ATOM 794 C CA . TRP A 1 107 ? -35.725 -3.592 7.735 1.00 29.80 ? 448 TRP A CA 1 ATOM 795 C C . TRP A 1 107 ? -36.948 -4.074 8.511 1.00 30.27 ? 448 TRP A C 1 ATOM 796 O O . TRP A 1 107 ? -36.855 -4.401 9.696 1.00 30.58 ? 448 TRP A O 1 ATOM 797 C CB . TRP A 1 107 ? -35.687 -2.058 7.783 1.00 29.75 ? 448 TRP A CB 1 ATOM 798 C CG . TRP A 1 107 ? -35.561 -1.544 9.177 1.00 29.96 ? 448 TRP A CG 1 ATOM 799 C CD1 . TRP A 1 107 ? -36.555 -1.001 9.967 1.00 30.03 ? 448 TRP A CD1 1 ATOM 800 C CD2 . TRP A 1 107 ? -34.376 -1.556 9.973 1.00 29.64 ? 448 TRP A CD2 1 ATOM 801 N NE1 . TRP A 1 107 ? -36.042 -0.666 11.205 1.00 31.00 ? 448 TRP A NE1 1 ATOM 802 C CE2 . TRP A 1 107 ? -34.710 -1.001 11.237 1.00 30.91 ? 448 TRP A CE2 1 ATOM 803 C CE3 . TRP A 1 107 ? -33.063 -1.984 9.746 1.00 28.49 ? 448 TRP A CE3 1 ATOM 804 C CZ2 . TRP A 1 107 ? -33.763 -0.854 12.266 1.00 30.14 ? 448 TRP A CZ2 1 ATOM 805 C CZ3 . TRP A 1 107 ? -32.128 -1.842 10.775 1.00 30.28 ? 448 TRP A CZ3 1 ATOM 806 C CH2 . TRP A 1 107 ? -32.487 -1.284 12.015 1.00 29.59 ? 448 TRP A CH2 1 ATOM 807 N N . ASN A 1 108 ? -38.094 -4.110 7.837 1.00 30.77 ? 449 ASN A N 1 ATOM 808 C CA . ASN A 1 108 ? -39.351 -4.474 8.469 1.00 31.14 ? 449 ASN A CA 1 ATOM 809 C C . ASN A 1 108 ? -39.549 -5.975 8.682 1.00 30.75 ? 449 ASN A C 1 ATOM 810 O O . ASN A 1 108 ? -40.523 -6.380 9.301 1.00 31.49 ? 449 ASN A O 1 ATOM 811 C CB . ASN A 1 108 ? -40.523 -3.906 7.673 1.00 31.56 ? 449 ASN A CB 1 ATOM 812 C CG . ASN A 1 108 ? -40.416 -2.409 7.452 1.00 32.78 ? 449 ASN A CG 1 ATOM 813 O OD1 . ASN A 1 108 ? -40.165 -1.629 8.380 1.00 33.52 ? 449 ASN A OD1 1 ATOM 814 N ND2 . ASN A 1 108 ? -40.617 -1.999 6.214 1.00 34.20 ? 449 ASN A ND2 1 ATOM 815 N N . SER A 1 109 ? -38.651 -6.800 8.159 1.00 30.21 ? 450 SER A N 1 ATOM 816 C CA . SER A 1 109 ? -38.757 -8.243 8.375 1.00 29.65 ? 450 SER A CA 1 ATOM 817 C C . SER A 1 109 ? -37.498 -8.822 9.040 1.00 29.50 ? 450 SER A C 1 ATOM 818 O O . SER A 1 109 ? -37.164 -9.997 8.850 1.00 29.91 ? 450 SER A O 1 ATOM 819 C CB . SER A 1 109 ? -39.085 -8.972 7.065 1.00 29.23 ? 450 SER A CB 1 ATOM 820 O OG . SER A 1 109 ? -38.155 -8.646 6.057 1.00 28.53 ? 450 SER A OG 1 ATOM 821 N N . LEU A 1 110 ? -36.815 -8.000 9.834 1.00 28.84 ? 451 LEU A N 1 ATOM 822 C CA . LEU A 1 110 ? -35.597 -8.439 10.529 1.00 28.41 ? 451 LEU A CA 1 ATOM 823 C C . LEU A 1 110 ? -35.851 -9.349 11.739 1.00 28.29 ? 451 LEU A C 1 ATOM 824 O O . LEU A 1 110 ? -34.968 -10.117 12.121 1.00 28.46 ? 451 LEU A O 1 ATOM 825 C CB . LEU A 1 110 ? -34.713 -7.248 10.911 1.00 28.17 ? 451 LEU A CB 1 ATOM 826 C CG . LEU A 1 110 ? -33.838 -6.640 9.799 1.00 28.27 ? 451 LEU A CG 1 ATOM 827 C CD1 . LEU A 1 110 ? -32.889 -5.603 10.360 1.00 27.38 ? 451 LEU A CD1 1 ATOM 828 C CD2 . LEU A 1 110 ? -33.048 -7.685 9.033 1.00 26.59 ? 451 LEU A CD2 1 ATOM 829 N N . LYS A 1 111 ? -37.055 -9.288 12.314 1.00 28.13 ? 452 LYS A N 1 ATOM 830 C CA . LYS A 1 111 ? -37.398 -10.107 13.474 1.00 28.26 ? 452 LYS A CA 1 ATOM 831 C C . LYS A 1 111 ? -37.215 -11.600 13.205 1.00 28.10 ? 452 LYS A C 1 ATOM 832 O O . LYS A 1 111 ? -37.666 -12.107 12.174 1.00 27.43 ? 452 LYS A O 1 ATOM 833 C CB . LYS A 1 111 ? -38.830 -9.835 13.938 1.00 28.80 ? 452 LYS A CB 1 ATOM 834 C CG . LYS A 1 111 ? -38.938 -9.787 15.437 1.00 30.57 ? 452 LYS A CG 1 ATOM 835 C CD . LYS A 1 111 ? -40.147 -10.505 15.966 1.00 35.20 ? 452 LYS A CD 1 ATOM 836 C CE . LYS A 1 111 ? -40.003 -10.733 17.480 1.00 37.82 ? 452 LYS A CE 1 ATOM 837 N NZ . LYS A 1 111 ? -38.907 -11.710 17.827 1.00 38.35 ? 452 LYS A NZ 1 ATOM 838 N N . ASP A 1 112 ? -36.549 -12.289 14.142 1.00 28.10 ? 453 ASP A N 1 ATOM 839 C CA . ASP A 1 112 ? -36.256 -13.732 14.056 1.00 28.36 ? 453 ASP A CA 1 ATOM 840 C C . ASP A 1 112 ? -35.237 -14.107 12.989 1.00 27.51 ? 453 ASP A C 1 ATOM 841 O O . ASP A 1 112 ? -35.079 -15.289 12.681 1.00 27.51 ? 453 ASP A O 1 ATOM 842 C CB . ASP A 1 112 ? -37.508 -14.571 13.794 1.00 29.19 ? 453 ASP A CB 1 ATOM 843 C CG . ASP A 1 112 ? -38.538 -14.452 14.875 1.00 32.08 ? 453 ASP A CG 1 ATOM 844 O OD1 . ASP A 1 112 ? -39.694 -14.806 14.560 1.00 36.69 ? 453 ASP A OD1 1 ATOM 845 O OD2 . ASP A 1 112 ? -38.222 -14.016 16.013 1.00 34.76 ? 453 ASP A OD2 1 ATOM 846 N N . LYS A 1 113 ? -34.559 -13.122 12.417 1.00 26.32 ? 454 LYS A N 1 ATOM 847 C CA . LYS A 1 113 ? -33.449 -13.424 11.529 1.00 25.47 ? 454 LYS A CA 1 ATOM 848 C C . LYS A 1 113 ? -32.134 -13.546 12.331 1.00 24.59 ? 454 LYS A C 1 ATOM 849 O O . LYS A 1 113 ? -32.136 -13.492 13.560 1.00 23.69 ? 454 LYS A O 1 ATOM 850 C CB . LYS A 1 113 ? -33.377 -12.398 10.392 1.00 26.30 ? 454 LYS A CB 1 ATOM 851 C CG . LYS A 1 113 ? -34.702 -12.287 9.561 1.00 27.47 ? 454 LYS A CG 1 ATOM 852 C CD . LYS A 1 113 ? -35.120 -13.658 8.970 1.00 29.76 ? 454 LYS A CD 1 ATOM 853 C CE . LYS A 1 113 ? -36.346 -13.572 8.040 1.00 30.54 ? 454 LYS A CE 1 ATOM 854 N NZ . LYS A 1 113 ? -37.575 -13.078 8.734 1.00 32.73 ? 454 LYS A NZ 1 ATOM 855 N N . LYS A 1 114 ? -31.031 -13.729 11.621 1.00 23.76 ? 455 LYS A N 1 ATOM 856 C CA . LYS A 1 114 ? -29.733 -13.910 12.232 1.00 23.43 ? 455 LYS A CA 1 ATOM 857 C C . LYS A 1 114 ? -28.872 -12.688 11.977 1.00 22.59 ? 455 LYS A C 1 ATOM 858 O O . LYS A 1 114 ? -28.822 -12.174 10.851 1.00 22.21 ? 455 LYS A O 1 ATOM 859 C CB . LYS A 1 114 ? -29.061 -15.190 11.716 1.00 22.84 ? 455 LYS A CB 1 ATOM 860 C CG . LYS A 1 114 ? -29.817 -16.472 12.119 1.00 24.64 ? 455 LYS A CG 1 ATOM 861 C CD . LYS A 1 114 ? -29.169 -17.739 11.573 1.00 24.80 ? 455 LYS A CD 1 ATOM 862 C CE . LYS A 1 114 ? -29.422 -17.908 10.087 1.00 29.15 ? 455 LYS A CE 1 ATOM 863 N NZ . LYS A 1 114 ? -28.357 -18.738 9.439 1.00 30.34 ? 455 LYS A NZ 1 ATOM 864 N N . SER A 1 115 ? -28.188 -12.230 13.021 1.00 21.28 ? 456 SER A N 1 ATOM 865 C CA . SER A 1 115 ? -27.493 -10.960 12.934 1.00 21.17 ? 456 SER A CA 1 ATOM 866 C C . SER A 1 115 ? -26.025 -11.024 13.326 1.00 20.63 ? 456 SER A C 1 ATOM 867 O O . SER A 1 115 ? -25.624 -11.838 14.164 1.00 20.92 ? 456 SER A O 1 ATOM 868 C CB . SER A 1 115 ? -28.219 -9.899 13.757 1.00 20.64 ? 456 SER A CB 1 ATOM 869 O OG . SER A 1 115 ? -28.076 -10.155 15.139 1.00 21.34 ? 456 SER A OG 1 ATOM 870 N N . CYS A 1 116 ? -25.251 -10.124 12.714 1.00 19.77 ? 457 CYS A N 1 ATOM 871 C CA . CYS A 1 116 ? -23.810 -10.018 12.890 1.00 18.75 ? 457 CYS A CA 1 ATOM 872 C C . CYS A 1 116 ? -23.468 -8.594 13.339 1.00 18.42 ? 457 CYS A C 1 ATOM 873 O O . CYS A 1 116 ? -23.737 -7.634 12.620 1.00 18.67 ? 457 CYS A O 1 ATOM 874 C CB . CYS A 1 116 ? -23.098 -10.331 11.567 1.00 18.58 ? 457 CYS A CB 1 ATOM 875 S SG . CYS A 1 116 ? -23.525 -11.928 10.815 1.00 18.74 ? 457 CYS A SG 1 ATOM 876 N N . HIS A 1 117 ? -22.871 -8.462 14.519 1.00 17.80 ? 458 HIS A N 1 ATOM 877 C CA . HIS A 1 117 ? -22.575 -7.152 15.124 1.00 17.46 ? 458 HIS A CA 1 ATOM 878 C C . HIS A 1 117 ? -21.113 -7.082 15.407 1.00 17.72 ? 458 HIS A C 1 ATOM 879 O O . HIS A 1 117 ? -20.507 -8.098 15.758 1.00 18.35 ? 458 HIS A O 1 ATOM 880 C CB . HIS A 1 117 ? -23.311 -6.967 16.455 1.00 17.04 ? 458 HIS A CB 1 ATOM 881 C CG . HIS A 1 117 ? -24.767 -7.285 16.389 1.00 16.17 ? 458 HIS A CG 1 ATOM 882 N ND1 . HIS A 1 117 ? -25.745 -6.310 16.371 1.00 16.55 ? 458 HIS A ND1 1 ATOM 883 C CD2 . HIS A 1 117 ? -25.415 -8.472 16.301 1.00 15.45 ? 458 HIS A CD2 1 ATOM 884 C CE1 . HIS A 1 117 ? -26.933 -6.885 16.297 1.00 14.64 ? 458 HIS A CE1 1 ATOM 885 N NE2 . HIS A 1 117 ? -26.760 -8.196 16.247 1.00 13.95 ? 458 HIS A NE2 1 ATOM 886 N N . THR A 1 118 ? -20.550 -5.882 15.280 1.00 17.17 ? 459 THR A N 1 ATOM 887 C CA . THR A 1 118 ? -19.125 -5.638 15.591 1.00 16.69 ? 459 THR A CA 1 ATOM 888 C C . THR A 1 118 ? -18.725 -6.048 17.031 1.00 16.16 ? 459 THR A C 1 ATOM 889 O O . THR A 1 118 ? -17.730 -6.761 17.243 1.00 15.42 ? 459 THR A O 1 ATOM 890 C CB . THR A 1 118 ? -18.740 -4.170 15.335 1.00 16.32 ? 459 THR A CB 1 ATOM 891 O OG1 . THR A 1 118 ? -19.528 -3.328 16.184 1.00 16.68 ? 459 THR A OG1 1 ATOM 892 C CG2 . THR A 1 118 ? -19.004 -3.798 13.894 1.00 15.82 ? 459 THR A CG2 1 ATOM 893 N N . ALA A 1 119 ? -19.517 -5.579 17.990 1.00 16.06 ? 460 ALA A N 1 ATOM 894 C CA . ALA A 1 119 ? -19.433 -5.933 19.408 1.00 16.31 ? 460 ALA A CA 1 ATOM 895 C C . ALA A 1 119 ? -20.505 -5.123 20.095 1.00 17.37 ? 460 ALA A C 1 ATOM 896 O O . ALA A 1 119 ? -20.910 -4.067 19.575 1.00 17.80 ? 460 ALA A O 1 ATOM 897 C CB . ALA A 1 119 ? -18.082 -5.576 19.980 1.00 16.35 ? 460 ALA A CB 1 ATOM 898 N N . VAL A 1 120 ? -20.996 -5.628 21.229 1.00 17.69 ? 461 VAL A N 1 ATOM 899 C CA . VAL A 1 120 ? -21.873 -4.865 22.120 1.00 17.57 ? 461 VAL A CA 1 ATOM 900 C C . VAL A 1 120 ? -21.217 -3.509 22.457 1.00 17.91 ? 461 VAL A C 1 ATOM 901 O O . VAL A 1 120 ? -19.979 -3.413 22.586 1.00 17.20 ? 461 VAL A O 1 ATOM 902 C CB . VAL A 1 120 ? -22.176 -5.672 23.418 1.00 17.43 ? 461 VAL A CB 1 ATOM 903 C CG1 . VAL A 1 120 ? -23.003 -4.856 24.434 1.00 19.21 ? 461 VAL A CG1 1 ATOM 904 C CG2 . VAL A 1 120 ? -22.904 -6.964 23.081 1.00 16.51 ? 461 VAL A CG2 1 ATOM 905 N N . ASP A 1 121 ? -22.049 -2.468 22.562 1.00 17.94 ? 462 ASP A N 1 ATOM 906 C CA . ASP A 1 121 ? -21.619 -1.118 22.984 1.00 18.42 ? 462 ASP A CA 1 ATOM 907 C C . ASP A 1 121 ? -20.928 -0.272 21.928 1.00 17.64 ? 462 ASP A C 1 ATOM 908 O O . ASP A 1 121 ? -20.565 0.886 22.182 1.00 17.08 ? 462 ASP A O 1 ATOM 909 C CB . ASP A 1 121 ? -20.745 -1.182 24.240 1.00 19.23 ? 462 ASP A CB 1 ATOM 910 C CG . ASP A 1 121 ? -21.561 -1.338 25.499 1.00 21.70 ? 462 ASP A CG 1 ATOM 911 O OD1 . ASP A 1 121 ? -22.823 -1.357 25.428 1.00 21.41 ? 462 ASP A OD1 1 ATOM 912 O OD2 . ASP A 1 121 ? -20.917 -1.445 26.563 1.00 26.66 ? 462 ASP A OD2 1 ATOM 913 N N . ARG A 1 122 ? -20.771 -0.836 20.740 1.00 17.11 ? 463 ARG A N 1 ATOM 914 C CA . ARG A 1 122 ? -20.153 -0.115 19.629 1.00 16.82 ? 463 ARG A CA 1 ATOM 915 C C . ARG A 1 122 ? -21.211 0.624 18.784 1.00 16.26 ? 463 ARG A C 1 ATOM 916 O O . ARG A 1 122 ? -22.380 0.258 18.790 1.00 16.11 ? 463 ARG A O 1 ATOM 917 C CB . ARG A 1 122 ? -19.276 -1.073 18.816 1.00 16.81 ? 463 ARG A CB 1 ATOM 918 C CG . ARG A 1 122 ? -17.964 -1.371 19.545 1.00 18.42 ? 463 ARG A CG 1 ATOM 919 C CD . ARG A 1 122 ? -16.995 -2.231 18.760 1.00 21.10 ? 463 ARG A CD 1 ATOM 920 N NE . ARG A 1 122 ? -16.674 -1.608 17.492 1.00 24.60 ? 463 ARG A NE 1 ATOM 921 C CZ . ARG A 1 122 ? -15.669 -1.953 16.695 1.00 26.28 ? 463 ARG A CZ 1 ATOM 922 N NH1 . ARG A 1 122 ? -14.852 -2.941 17.030 1.00 27.50 ? 463 ARG A NH1 1 ATOM 923 N NH2 . ARG A 1 122 ? -15.493 -1.301 15.553 1.00 24.70 ? 463 ARG A NH2 1 ATOM 924 N N . THR A 1 123 ? -20.804 1.665 18.070 1.00 15.84 ? 464 THR A N 1 ATOM 925 C CA . THR A 1 123 ? -21.757 2.541 17.367 1.00 15.62 ? 464 THR A CA 1 ATOM 926 C C . THR A 1 123 ? -22.610 1.912 16.252 1.00 15.90 ? 464 THR A C 1 ATOM 927 O O . THR A 1 123 ? -23.833 1.781 16.382 1.00 16.44 ? 464 THR A O 1 ATOM 928 C CB . THR A 1 123 ? -21.039 3.788 16.817 1.00 15.97 ? 464 THR A CB 1 ATOM 929 O OG1 . THR A 1 123 ? -20.432 4.507 17.909 1.00 14.54 ? 464 THR A OG1 1 ATOM 930 C CG2 . THR A 1 123 ? -22.039 4.695 16.103 1.00 14.35 ? 464 THR A CG2 1 ATOM 931 N N . ALA A 1 124 ? -21.969 1.570 15.144 1.00 16.33 ? 465 ALA A N 1 ATOM 932 C CA . ALA A 1 124 ? -22.649 0.976 13.996 1.00 16.25 ? 465 ALA A CA 1 ATOM 933 C C . ALA A 1 124 ? -23.109 -0.438 14.304 1.00 16.27 ? 465 ALA A C 1 ATOM 934 O O . ALA A 1 124 ? -24.161 -0.873 13.834 1.00 16.99 ? 465 ALA A O 1 ATOM 935 C CB . ALA A 1 124 ? -21.719 0.975 12.782 1.00 15.86 ? 465 ALA A CB 1 ATOM 936 N N . GLY A 1 125 ? -22.316 -1.158 15.085 1.00 16.37 ? 466 GLY A N 1 ATOM 937 C CA . GLY A 1 125 ? -22.574 -2.569 15.326 1.00 16.62 ? 466 GLY A CA 1 ATOM 938 C C . GLY A 1 125 ? -23.623 -2.845 16.374 1.00 16.85 ? 466 GLY A C 1 ATOM 939 O O . GLY A 1 125 ? -24.222 -3.923 16.370 1.00 16.69 ? 466 GLY A O 1 ATOM 940 N N . TRP A 1 126 ? -23.851 -1.887 17.280 1.00 17.00 ? 467 TRP A N 1 ATOM 941 C CA . TRP A 1 126 ? -24.760 -2.126 18.413 1.00 17.44 ? 467 TRP A CA 1 ATOM 942 C C . TRP A 1 126 ? -25.692 -0.959 18.755 1.00 17.68 ? 467 TRP A C 1 ATOM 943 O O . TRP A 1 126 ? -26.909 -1.091 18.676 1.00 17.72 ? 467 TRP A O 1 ATOM 944 C CB . TRP A 1 126 ? -23.975 -2.584 19.660 1.00 17.32 ? 467 TRP A CB 1 ATOM 945 C CG . TRP A 1 126 ? -24.874 -3.030 20.780 1.00 16.74 ? 467 TRP A CG 1 ATOM 946 C CD1 . TRP A 1 126 ? -25.309 -2.274 21.819 1.00 18.07 ? 467 TRP A CD1 1 ATOM 947 C CD2 . TRP A 1 126 ? -25.475 -4.318 20.941 1.00 17.47 ? 467 TRP A CD2 1 ATOM 948 N NE1 . TRP A 1 126 ? -26.134 -3.001 22.632 1.00 17.21 ? 467 TRP A NE1 1 ATOM 949 C CE2 . TRP A 1 126 ? -26.256 -4.266 22.116 1.00 17.48 ? 467 TRP A CE2 1 ATOM 950 C CE3 . TRP A 1 126 ? -25.417 -5.525 20.212 1.00 17.38 ? 467 TRP A CE3 1 ATOM 951 C CZ2 . TRP A 1 126 ? -26.985 -5.370 22.588 1.00 17.15 ? 467 TRP A CZ2 1 ATOM 952 C CZ3 . TRP A 1 126 ? -26.153 -6.621 20.668 1.00 17.73 ? 467 TRP A CZ3 1 ATOM 953 C CH2 . TRP A 1 126 ? -26.925 -6.536 21.852 1.00 18.14 ? 467 TRP A CH2 1 ATOM 954 N N . ASN A 1 127 ? -25.120 0.182 19.113 1.00 18.22 ? 468 ASN A N 1 ATOM 955 C CA . ASN A 1 127 ? -25.912 1.280 19.658 1.00 18.93 ? 468 ASN A CA 1 ATOM 956 C C . ASN A 1 127 ? -26.957 1.843 18.718 1.00 19.10 ? 468 ASN A C 1 ATOM 957 O O . ASN A 1 127 ? -28.066 2.115 19.132 1.00 19.03 ? 468 ASN A O 1 ATOM 958 C CB . ASN A 1 127 ? -25.010 2.410 20.166 1.00 18.88 ? 468 ASN A CB 1 ATOM 959 C CG . ASN A 1 127 ? -24.217 2.011 21.382 1.00 19.39 ? 468 ASN A CG 1 ATOM 960 O OD1 . ASN A 1 127 ? -24.531 1.023 22.042 1.00 21.21 ? 468 ASN A OD1 1 ATOM 961 N ND2 . ASN A 1 127 ? -23.176 2.780 21.691 1.00 18.91 ? 468 ASN A ND2 1 ATOM 962 N N . ILE A 1 128 ? -26.581 2.034 17.457 1.00 20.32 ? 469 ILE A N 1 ATOM 963 C CA . ILE A 1 128 ? -27.487 2.594 16.475 1.00 20.67 ? 469 ILE A CA 1 ATOM 964 C C . ILE A 1 128 ? -28.602 1.590 16.142 1.00 21.30 ? 469 ILE A C 1 ATOM 965 O O . ILE A 1 128 ? -29.766 1.907 16.355 1.00 21.02 ? 469 ILE A O 1 ATOM 966 C CB . ILE A 1 128 ? -26.726 3.113 15.206 1.00 20.43 ? 469 ILE A CB 1 ATOM 967 C CG1 . ILE A 1 128 ? -25.856 4.341 15.545 1.00 21.32 ? 469 ILE A CG1 1 ATOM 968 C CG2 . ILE A 1 128 ? -27.693 3.367 14.057 1.00 19.85 ? 469 ILE A CG2 1 ATOM 969 C CD1 . ILE A 1 128 ? -26.594 5.516 16.240 1.00 22.47 ? 469 ILE A CD1 1 ATOM 970 N N . PRO A 1 129 ? -28.249 0.368 15.660 1.00 22.39 ? 470 PRO A N 1 ATOM 971 C CA . PRO A 1 129 ? -29.312 -0.557 15.240 1.00 23.01 ? 470 PRO A CA 1 ATOM 972 C C . PRO A 1 129 ? -30.243 -1.008 16.369 1.00 23.55 ? 470 PRO A C 1 ATOM 973 O O . PRO A 1 129 ? -31.460 -1.042 16.175 1.00 24.21 ? 470 PRO A O 1 ATOM 974 C CB . PRO A 1 129 ? -28.546 -1.742 14.627 1.00 23.17 ? 470 PRO A CB 1 ATOM 975 C CG . PRO A 1 129 ? -27.183 -1.693 15.204 1.00 22.95 ? 470 PRO A CG 1 ATOM 976 C CD . PRO A 1 129 ? -26.903 -0.220 15.464 1.00 22.56 ? 470 PRO A CD 1 ATOM 977 N N . MET A 1 130 ? -29.693 -1.317 17.535 1.00 23.94 ? 471 MET A N 1 ATOM 978 C CA . MET A 1 130 ? -30.502 -1.782 18.669 1.00 24.54 ? 471 MET A CA 1 ATOM 979 C C . MET A 1 130 ? -31.329 -0.682 19.294 1.00 24.52 ? 471 MET A C 1 ATOM 980 O O . MET A 1 130 ? -32.396 -0.947 19.842 1.00 23.86 ? 471 MET A O 1 ATOM 981 C CB . MET A 1 130 ? -29.618 -2.416 19.754 1.00 24.68 ? 471 MET A CB 1 ATOM 982 C CG . MET A 1 130 ? -28.966 -3.728 19.346 1.00 26.55 ? 471 MET A CG 1 ATOM 983 S SD . MET A 1 130 ? -30.108 -4.950 18.668 1.00 28.96 ? 471 MET A SD 1 ATOM 984 C CE . MET A 1 130 ? -29.589 -4.881 16.974 1.00 31.93 ? 471 MET A CE 1 ATOM 985 N N . GLY A 1 131 ? -30.800 0.541 19.247 1.00 25.13 ? 472 GLY A N 1 ATOM 986 C CA . GLY A 1 131 ? -31.507 1.713 19.728 1.00 26.13 ? 472 GLY A CA 1 ATOM 987 C C . GLY A 1 131 ? -32.722 1.940 18.863 1.00 26.80 ? 472 GLY A C 1 ATOM 988 O O . GLY A 1 131 ? -33.823 2.203 19.373 1.00 27.14 ? 472 GLY A O 1 ATOM 989 N N . LEU A 1 132 ? -32.527 1.823 17.549 1.00 27.28 ? 473 LEU A N 1 ATOM 990 C CA . LEU A 1 132 ? -33.632 1.926 16.600 1.00 27.77 ? 473 LEU A CA 1 ATOM 991 C C . LEU A 1 132 ? -34.647 0.824 16.835 1.00 28.61 ? 473 LEU A C 1 ATOM 992 O O . LEU A 1 132 ? -35.845 1.085 16.808 1.00 29.03 ? 473 LEU A O 1 ATOM 993 C CB . LEU A 1 132 ? -33.138 1.895 15.144 1.00 27.00 ? 473 LEU A CB 1 ATOM 994 C CG . LEU A 1 132 ? -32.382 3.100 14.582 1.00 25.96 ? 473 LEU A CG 1 ATOM 995 C CD1 . LEU A 1 132 ? -31.757 2.765 13.220 1.00 23.81 ? 473 LEU A CD1 1 ATOM 996 C CD2 . LEU A 1 132 ? -33.274 4.322 14.478 1.00 23.93 ? 473 LEU A CD2 1 ATOM 997 N N . ILE A 1 133 ? -34.167 -0.396 17.074 1.00 29.42 ? 474 ILE A N 1 ATOM 998 C CA . ILE A 1 133 ? -35.049 -1.552 17.283 1.00 30.80 ? 474 ILE A CA 1 ATOM 999 C C . ILE A 1 133 ? -35.844 -1.479 18.588 1.00 32.07 ? 474 ILE A C 1 ATOM 1000 O O . ILE A 1 133 ? -37.014 -1.842 18.607 1.00 32.85 ? 474 ILE A O 1 ATOM 1001 C CB . ILE A 1 133 ? -34.282 -2.904 17.194 1.00 30.64 ? 474 ILE A CB 1 ATOM 1002 C CG1 . ILE A 1 133 ? -33.945 -3.233 15.735 1.00 30.60 ? 474 ILE A CG1 1 ATOM 1003 C CG2 . ILE A 1 133 ? -35.083 -4.040 17.829 1.00 30.04 ? 474 ILE A CG2 1 ATOM 1004 C CD1 . ILE A 1 133 ? -32.818 -4.258 15.557 1.00 30.14 ? 474 ILE A CD1 1 ATOM 1005 N N . VAL A 1 134 ? -35.221 -1.023 19.673 1.00 33.56 ? 475 VAL A N 1 ATOM 1006 C CA . VAL A 1 134 ? -35.952 -0.780 20.929 1.00 34.95 ? 475 VAL A CA 1 ATOM 1007 C C . VAL A 1 134 ? -37.080 0.231 20.689 1.00 36.04 ? 475 VAL A C 1 ATOM 1008 O O . VAL A 1 134 ? -38.240 -0.039 21.012 1.00 36.41 ? 475 VAL A O 1 ATOM 1009 C CB . VAL A 1 134 ? -35.012 -0.315 22.094 1.00 34.91 ? 475 VAL A CB 1 ATOM 1010 C CG1 . VAL A 1 134 ? -35.816 0.269 23.256 1.00 34.16 ? 475 VAL A CG1 1 ATOM 1011 C CG2 . VAL A 1 134 ? -34.154 -1.482 22.582 1.00 34.71 ? 475 VAL A CG2 1 ATOM 1012 N N . ASN A 1 135 ? -36.734 1.369 20.090 1.00 36.98 ? 476 ASN A N 1 ATOM 1013 C CA . ASN A 1 135 ? -37.699 2.418 19.800 1.00 38.35 ? 476 ASN A CA 1 ATOM 1014 C C . ASN A 1 135 ? -38.884 1.920 19.000 1.00 38.95 ? 476 ASN A C 1 ATOM 1015 O O . ASN A 1 135 ? -40.029 2.217 19.339 1.00 39.35 ? 476 ASN A O 1 ATOM 1016 C CB . ASN A 1 135 ? -37.030 3.591 19.081 1.00 38.73 ? 476 ASN A CB 1 ATOM 1017 C CG . ASN A 1 135 ? -36.283 4.503 20.035 1.00 39.70 ? 476 ASN A CG 1 ATOM 1018 O OD1 . ASN A 1 135 ? -36.105 4.172 21.207 1.00 38.88 ? 476 ASN A OD1 1 ATOM 1019 N ND2 . ASN A 1 135 ? -35.845 5.658 19.536 1.00 42.89 ? 476 ASN A ND2 1 ATOM 1020 N N . GLN A 1 136 ? -38.603 1.140 17.961 1.00 39.44 ? 477 GLN A N 1 ATOM 1021 C CA . GLN A 1 136 ? -39.637 0.613 17.073 1.00 39.84 ? 477 GLN A CA 1 ATOM 1022 C C . GLN A 1 136 ? -40.549 -0.440 17.691 1.00 39.90 ? 477 GLN A C 1 ATOM 1023 O O . GLN A 1 136 ? -41.745 -0.448 17.423 1.00 39.72 ? 477 GLN A O 1 ATOM 1024 C CB . GLN A 1 136 ? -39.017 0.087 15.787 1.00 39.76 ? 477 GLN A CB 1 ATOM 1025 C CG . GLN A 1 136 ? -38.635 1.205 14.854 1.00 41.13 ? 477 GLN A CG 1 ATOM 1026 C CD . GLN A 1 136 ? -37.686 0.760 13.783 1.00 42.09 ? 477 GLN A CD 1 ATOM 1027 O OE1 . GLN A 1 136 ? -37.607 -0.433 13.452 1.00 42.93 ? 477 GLN A OE1 1 ATOM 1028 N NE2 . GLN A 1 136 ? -36.943 1.717 13.226 1.00 42.55 ? 477 GLN A NE2 1 ATOM 1029 N N . THR A 1 137 ? -39.993 -1.326 18.505 1.00 40.33 ? 478 THR A N 1 ATOM 1030 C CA . THR A 1 137 ? -40.794 -2.378 19.136 1.00 40.64 ? 478 THR A CA 1 ATOM 1031 C C . THR A 1 137 ? -41.366 -1.969 20.501 1.00 41.37 ? 478 THR A C 1 ATOM 1032 O O . THR A 1 137 ? -42.111 -2.741 21.114 1.00 41.67 ? 478 THR A O 1 ATOM 1033 C CB . THR A 1 137 ? -39.988 -3.680 19.298 1.00 40.38 ? 478 THR A CB 1 ATOM 1034 O OG1 . THR A 1 137 ? -38.920 -3.465 20.229 1.00 40.28 ? 478 THR A OG1 1 ATOM 1035 C CG2 . THR A 1 137 ? -39.420 -4.132 17.960 1.00 39.83 ? 478 THR A CG2 1 ATOM 1036 N N . GLY A 1 138 ? -41.020 -0.765 20.970 1.00 42.01 ? 479 GLY A N 1 ATOM 1037 C CA . GLY A 1 138 ? -41.374 -0.299 22.318 1.00 42.73 ? 479 GLY A CA 1 ATOM 1038 C C . GLY A 1 138 ? -41.081 -1.323 23.409 1.00 43.40 ? 479 GLY A C 1 ATOM 1039 O O . GLY A 1 138 ? -41.920 -1.581 24.281 1.00 44.00 ? 479 GLY A O 1 ATOM 1040 N N . SER A 1 139 ? -39.888 -1.908 23.361 1.00 43.63 ? 480 SER A N 1 ATOM 1041 C CA . SER A 1 139 ? -39.522 -3.024 24.229 1.00 43.82 ? 480 SER A CA 1 ATOM 1042 C C . SER A 1 139 ? -38.003 -3.025 24.462 1.00 43.67 ? 480 SER A C 1 ATOM 1043 O O . SER A 1 139 ? -37.246 -2.664 23.565 1.00 43.92 ? 480 SER A O 1 ATOM 1044 C CB . SER A 1 139 ? -39.975 -4.346 23.583 1.00 43.88 ? 480 SER A CB 1 ATOM 1045 O OG . SER A 1 139 ? -39.482 -5.481 24.280 1.00 44.38 ? 480 SER A OG 1 ATOM 1046 N N . CYS A 1 140 ? -37.570 -3.430 25.658 1.00 43.17 ? 481 CYS A N 1 ATOM 1047 C CA . CYS A 1 140 ? -36.143 -3.549 25.981 1.00 42.84 ? 481 CYS A CA 1 ATOM 1048 C C . CYS A 1 140 ? -35.601 -4.956 25.773 1.00 42.45 ? 481 CYS A C 1 ATOM 1049 O O . CYS A 1 140 ? -34.431 -5.231 26.074 1.00 42.24 ? 481 CYS A O 1 ATOM 1050 C CB . CYS A 1 140 ? -35.886 -3.139 27.429 1.00 42.89 ? 481 CYS A CB 1 ATOM 1051 S SG . CYS A 1 140 ? -35.910 -1.377 27.685 1.00 43.79 ? 481 CYS A SG 1 ATOM 1052 N N . ALA A 1 141 ? -36.450 -5.849 25.280 1.00 42.02 ? 482 ALA A N 1 ATOM 1053 C CA . ALA A 1 141 ? -36.052 -7.233 25.077 1.00 42.11 ? 482 ALA A CA 1 ATOM 1054 C C . ALA A 1 141 ? -35.280 -7.420 23.763 1.00 42.04 ? 482 ALA A C 1 ATOM 1055 O O . ALA A 1 141 ? -35.565 -8.340 22.995 1.00 42.33 ? 482 ALA A O 1 ATOM 1056 C CB . ALA A 1 141 ? -37.275 -8.163 25.152 1.00 42.00 ? 482 ALA A CB 1 ATOM 1057 N N . PHE A 1 142 ? -34.294 -6.553 23.517 1.00 41.88 ? 483 PHE A N 1 ATOM 1058 C CA . PHE A 1 142 ? -33.455 -6.645 22.315 1.00 41.78 ? 483 PHE A CA 1 ATOM 1059 C C . PHE A 1 142 ? -32.667 -7.956 22.221 1.00 41.45 ? 483 PHE A C 1 ATOM 1060 O O . PHE A 1 142 ? -32.126 -8.281 21.169 1.00 41.77 ? 483 PHE A O 1 ATOM 1061 C CB . PHE A 1 142 ? -32.502 -5.441 22.193 1.00 41.84 ? 483 PHE A CB 1 ATOM 1062 C CG . PHE A 1 142 ? -31.593 -5.252 23.384 1.00 41.67 ? 483 PHE A CG 1 ATOM 1063 C CD1 . PHE A 1 142 ? -31.762 -4.156 24.230 1.00 42.29 ? 483 PHE A CD1 1 ATOM 1064 C CD2 . PHE A 1 142 ? -30.572 -6.157 23.654 1.00 40.50 ? 483 PHE A CD2 1 ATOM 1065 C CE1 . PHE A 1 142 ? -30.931 -3.967 25.328 1.00 41.81 ? 483 PHE A CE1 1 ATOM 1066 C CE2 . PHE A 1 142 ? -29.747 -5.992 24.754 1.00 41.31 ? 483 PHE A CE2 1 ATOM 1067 C CZ . PHE A 1 142 ? -29.923 -4.887 25.594 1.00 42.14 ? 483 PHE A CZ 1 ATOM 1068 N N . ASP A 1 143 ? -32.607 -8.706 23.318 1.00 41.10 ? 484 ASP A N 1 ATOM 1069 C CA . ASP A 1 143 ? -31.963 -10.021 23.323 1.00 40.57 ? 484 ASP A CA 1 ATOM 1070 C C . ASP A 1 143 ? -32.911 -11.094 22.816 1.00 40.09 ? 484 ASP A C 1 ATOM 1071 O O . ASP A 1 143 ? -32.565 -12.270 22.760 1.00 40.34 ? 484 ASP A O 1 ATOM 1072 C CB . ASP A 1 143 ? -31.455 -10.380 24.730 1.00 41.16 ? 484 ASP A CB 1 ATOM 1073 C CG . ASP A 1 143 ? -32.550 -10.336 25.794 1.00 41.38 ? 484 ASP A CG 1 ATOM 1074 O OD1 . ASP A 1 143 ? -33.328 -9.361 25.828 1.00 42.38 ? 484 ASP A OD1 1 ATOM 1075 O OD2 . ASP A 1 143 ? -32.615 -11.270 26.616 1.00 43.26 ? 484 ASP A OD2 1 ATOM 1076 N N . GLU A 1 144 ? -34.118 -10.683 22.454 1.00 39.29 ? 485 GLU A N 1 ATOM 1077 C CA . GLU A 1 144 ? -35.117 -11.609 21.965 1.00 38.50 ? 485 GLU A CA 1 ATOM 1078 C C . GLU A 1 144 ? -35.528 -11.335 20.522 1.00 37.20 ? 485 GLU A C 1 ATOM 1079 O O . GLU A 1 144 ? -36.248 -12.129 19.924 1.00 37.72 ? 485 GLU A O 1 ATOM 1080 C CB . GLU A 1 144 ? -36.329 -11.626 22.905 1.00 39.05 ? 485 GLU A CB 1 ATOM 1081 C CG . GLU A 1 144 ? -36.420 -12.916 23.722 1.00 42.01 ? 485 GLU A CG 1 ATOM 1082 C CD . GLU A 1 144 ? -36.943 -12.729 25.146 1.00 46.27 ? 485 GLU A CD 1 ATOM 1083 O OE1 . GLU A 1 144 ? -36.557 -13.551 26.013 1.00 48.52 ? 485 GLU A OE1 1 ATOM 1084 O OE2 . GLU A 1 144 ? -37.727 -11.784 25.408 1.00 46.70 ? 485 GLU A OE2 1 ATOM 1085 N N . PHE A 1 145 ? -35.042 -10.232 19.965 1.00 35.29 ? 486 PHE A N 1 ATOM 1086 C CA . PHE A 1 145 ? -35.403 -9.803 18.616 1.00 33.74 ? 486 PHE A CA 1 ATOM 1087 C C . PHE A 1 145 ? -34.869 -10.708 17.489 1.00 32.85 ? 486 PHE A C 1 ATOM 1088 O O . PHE A 1 145 ? -35.618 -11.108 16.605 1.00 33.00 ? 486 PHE A O 1 ATOM 1089 C CB . PHE A 1 145 ? -34.952 -8.360 18.400 1.00 33.15 ? 486 PHE A CB 1 ATOM 1090 C CG . PHE A 1 145 ? -35.491 -7.738 17.143 1.00 33.27 ? 486 PHE A CG 1 ATOM 1091 C CD1 . PHE A 1 145 ? -36.805 -7.249 17.094 1.00 32.10 ? 486 PHE A CD1 1 ATOM 1092 C CD2 . PHE A 1 145 ? -34.688 -7.630 16.004 1.00 31.10 ? 486 PHE A CD2 1 ATOM 1093 C CE1 . PHE A 1 145 ? -37.310 -6.658 15.929 1.00 31.46 ? 486 PHE A CE1 1 ATOM 1094 C CE2 . PHE A 1 145 ? -35.181 -7.044 14.851 1.00 31.43 ? 486 PHE A CE2 1 ATOM 1095 C CZ . PHE A 1 145 ? -36.498 -6.548 14.814 1.00 32.01 ? 486 PHE A CZ 1 ATOM 1096 N N . PHE A 1 146 ? -33.577 -11.009 17.503 1.00 31.72 ? 487 PHE A N 1 ATOM 1097 C CA . PHE A 1 146 ? -33.013 -11.882 16.490 1.00 30.82 ? 487 PHE A CA 1 ATOM 1098 C C . PHE A 1 146 ? -33.047 -13.298 17.026 1.00 30.51 ? 487 PHE A C 1 ATOM 1099 O O . PHE A 1 146 ? -33.012 -13.485 18.236 1.00 30.54 ? 487 PHE A O 1 ATOM 1100 C CB . PHE A 1 146 ? -31.595 -11.447 16.140 1.00 30.37 ? 487 PHE A CB 1 ATOM 1101 C CG . PHE A 1 146 ? -31.528 -10.110 15.452 1.00 29.57 ? 487 PHE A CG 1 ATOM 1102 C CD1 . PHE A 1 146 ? -31.935 -9.971 14.129 1.00 29.04 ? 487 PHE A CD1 1 ATOM 1103 C CD2 . PHE A 1 146 ? -31.051 -8.991 16.126 1.00 29.71 ? 487 PHE A CD2 1 ATOM 1104 C CE1 . PHE A 1 146 ? -31.881 -8.745 13.484 1.00 28.29 ? 487 PHE A CE1 1 ATOM 1105 C CE2 . PHE A 1 146 ? -30.981 -7.758 15.486 1.00 30.02 ? 487 PHE A CE2 1 ATOM 1106 C CZ . PHE A 1 146 ? -31.401 -7.638 14.157 1.00 29.64 ? 487 PHE A CZ 1 ATOM 1107 N N . SER A 1 147 ? -33.142 -14.295 16.148 1.00 29.85 ? 488 SER A N 1 ATOM 1108 C CA . SER A 1 147 ? -33.159 -15.682 16.617 1.00 28.98 ? 488 SER A CA 1 ATOM 1109 C C . SER A 1 147 ? -31.787 -16.013 17.187 1.00 28.74 ? 488 SER A C 1 ATOM 1110 O O . SER A 1 147 ? -31.674 -16.545 18.293 1.00 28.58 ? 488 SER A O 1 ATOM 1111 C CB . SER A 1 147 ? -33.523 -16.655 15.500 1.00 28.65 ? 488 SER A CB 1 ATOM 1112 O OG . SER A 1 147 ? -32.766 -16.388 14.342 1.00 28.49 ? 488 SER A OG 1 ATOM 1113 N N . GLN A 1 148 ? -30.751 -15.652 16.431 1.00 27.84 ? 489 GLN A N 1 ATOM 1114 C CA . GLN A 1 148 ? -29.372 -15.902 16.805 1.00 26.86 ? 489 GLN A CA 1 ATOM 1115 C C . GLN A 1 148 ? -28.493 -14.761 16.325 1.00 25.54 ? 489 GLN A C 1 ATOM 1116 O O . GLN A 1 148 ? -28.825 -14.084 15.354 1.00 25.47 ? 489 GLN A O 1 ATOM 1117 C CB . GLN A 1 148 ? -28.899 -17.214 16.189 1.00 27.54 ? 489 GLN A CB 1 ATOM 1118 C CG . GLN A 1 148 ? -29.490 -18.438 16.841 1.00 30.08 ? 489 GLN A CG 1 ATOM 1119 C CD . GLN A 1 148 ? -29.011 -19.703 16.207 1.00 34.25 ? 489 GLN A CD 1 ATOM 1120 O OE1 . GLN A 1 148 ? -28.565 -20.620 16.895 1.00 38.11 ? 489 GLN A OE1 1 ATOM 1121 N NE2 . GLN A 1 148 ? -29.088 -19.772 14.886 1.00 36.97 ? 489 GLN A NE2 1 ATOM 1122 N N . SER A 1 149 ? -27.369 -14.560 17.005 1.00 23.76 ? 490 SER A N 1 ATOM 1123 C CA . SER A 1 149 ? -26.454 -13.474 16.690 1.00 22.21 ? 490 SER A CA 1 ATOM 1124 C C . SER A 1 149 ? -25.002 -13.836 16.985 1.00 21.28 ? 490 SER A C 1 ATOM 1125 O O . SER A 1 149 ? -24.706 -14.803 17.699 1.00 20.86 ? 490 SER A O 1 ATOM 1126 C CB . SER A 1 149 ? -26.837 -12.212 17.489 1.00 22.21 ? 490 SER A CB 1 ATOM 1127 O OG . SER A 1 149 ? -28.150 -11.805 17.176 1.00 22.50 ? 490 SER A OG 1 ATOM 1128 N N . CYS A 1 150 ? -24.094 -13.073 16.395 1.00 19.42 ? 491 CYS A N 1 ATOM 1129 C CA . CYS A 1 150 ? -22.781 -12.927 16.979 1.00 18.62 ? 491 CYS A CA 1 ATOM 1130 C C . CYS A 1 150 ? -22.693 -11.467 17.405 1.00 18.27 ? 491 CYS A C 1 ATOM 1131 O O . CYS A 1 150 ? -22.699 -10.578 16.580 1.00 18.07 ? 491 CYS A O 1 ATOM 1132 C CB . CYS A 1 150 ? -21.666 -13.289 15.999 1.00 18.78 ? 491 CYS A CB 1 ATOM 1133 S SG . CYS A 1 150 ? -19.999 -13.132 16.729 1.00 17.72 ? 491 CYS A SG 1 ATOM 1134 N N . ALA A 1 151 ? -22.686 -11.230 18.707 1.00 18.32 ? 492 ALA A N 1 ATOM 1135 C CA . ALA A 1 151 ? -22.492 -9.889 19.259 1.00 17.92 ? 492 ALA A CA 1 ATOM 1136 C C . ALA A 1 151 ? -21.387 -10.004 20.332 1.00 17.41 ? 492 ALA A C 1 ATOM 1137 O O . ALA A 1 151 ? -21.691 -10.235 21.481 1.00 17.27 ? 492 ALA A O 1 ATOM 1138 C CB . ALA A 1 151 ? -23.788 -9.377 19.859 1.00 17.10 ? 492 ALA A CB 1 ATOM 1139 N N . PRO A 1 152 ? -20.108 -9.892 19.938 1.00 17.34 ? 493 PRO A N 1 ATOM 1140 C CA . PRO A 1 152 ? -19.027 -10.066 20.919 1.00 17.86 ? 493 PRO A CA 1 ATOM 1141 C C . PRO A 1 152 ? -19.173 -9.173 22.156 1.00 17.88 ? 493 PRO A C 1 ATOM 1142 O O . PRO A 1 152 ? -19.467 -7.973 22.043 1.00 18.93 ? 493 PRO A O 1 ATOM 1143 C CB . PRO A 1 152 ? -17.756 -9.752 20.107 1.00 17.65 ? 493 PRO A CB 1 ATOM 1144 C CG . PRO A 1 152 ? -18.147 -10.132 18.705 1.00 17.89 ? 493 PRO A CG 1 ATOM 1145 C CD . PRO A 1 152 ? -19.572 -9.658 18.581 1.00 17.26 ? 493 PRO A CD 1 ATOM 1146 N N . GLY A 1 153 ? -19.006 -9.773 23.327 1.00 17.27 ? 494 GLY A N 1 ATOM 1147 C CA . GLY A 1 153 ? -19.234 -9.068 24.576 1.00 17.58 ? 494 GLY A CA 1 ATOM 1148 C C . GLY A 1 153 ? -20.532 -9.445 25.280 1.00 18.08 ? 494 GLY A C 1 ATOM 1149 O O . GLY A 1 153 ? -20.735 -9.087 26.430 1.00 18.55 ? 494 GLY A O 1 ATOM 1150 N N . ALA A 1 154 ? -21.437 -10.135 24.594 1.00 18.28 ? 495 ALA A N 1 ATOM 1151 C CA . ALA A 1 154 ? -22.664 -10.594 25.232 1.00 18.71 ? 495 ALA A CA 1 ATOM 1152 C C . ALA A 1 154 ? -22.341 -11.900 25.955 1.00 19.27 ? 495 ALA A C 1 ATOM 1153 O O . ALA A 1 154 ? -21.224 -12.408 25.837 1.00 19.33 ? 495 ALA A O 1 ATOM 1154 C CB . ALA A 1 154 ? -23.764 -10.775 24.200 1.00 18.13 ? 495 ALA A CB 1 ATOM 1155 N N . ASP A 1 155 ? -23.285 -12.415 26.730 1.00 20.27 ? 496 ASP A N 1 ATOM 1156 C CA . ASP A 1 155 ? -23.092 -13.649 27.490 1.00 21.49 ? 496 ASP A CA 1 ATOM 1157 C C . ASP A 1 155 ? -22.881 -14.832 26.531 1.00 21.75 ? 496 ASP A C 1 ATOM 1158 O O . ASP A 1 155 ? -23.750 -15.130 25.714 1.00 21.40 ? 496 ASP A O 1 ATOM 1159 C CB . ASP A 1 155 ? -24.301 -13.864 28.414 1.00 22.23 ? 496 ASP A CB 1 ATOM 1160 C CG . ASP A 1 155 ? -24.238 -15.178 29.226 1.00 25.23 ? 496 ASP A CG 1 ATOM 1161 O OD1 . ASP A 1 155 ? -23.184 -15.841 29.305 1.00 27.51 ? 496 ASP A OD1 1 ATOM 1162 O OD2 . ASP A 1 155 ? -25.280 -15.560 29.789 1.00 29.03 ? 496 ASP A OD2 1 ATOM 1163 N N . PRO A 1 156 ? -21.720 -15.514 26.629 1.00 22.46 ? 497 PRO A N 1 ATOM 1164 C CA . PRO A 1 156 ? -21.424 -16.608 25.695 1.00 23.27 ? 497 PRO A CA 1 ATOM 1165 C C . PRO A 1 156 ? -22.491 -17.722 25.612 1.00 24.57 ? 497 PRO A C 1 ATOM 1166 O O . PRO A 1 156 ? -22.552 -18.413 24.581 1.00 25.25 ? 497 PRO A O 1 ATOM 1167 C CB . PRO A 1 156 ? -20.082 -17.155 26.194 1.00 22.92 ? 497 PRO A CB 1 ATOM 1168 C CG . PRO A 1 156 ? -19.503 -16.087 26.981 1.00 22.32 ? 497 PRO A CG 1 ATOM 1169 C CD . PRO A 1 156 ? -20.632 -15.327 27.602 1.00 21.97 ? 497 PRO A CD 1 ATOM 1170 N N . LYS A 1 157 ? -23.317 -17.883 26.656 1.00 25.43 ? 498 LYS A N 1 ATOM 1171 C CA . LYS A 1 157 ? -24.404 -18.877 26.668 1.00 26.78 ? 498 LYS A CA 1 ATOM 1172 C C . LYS A 1 157 ? -25.723 -18.392 26.043 1.00 26.79 ? 498 LYS A C 1 ATOM 1173 O O . LYS A 1 157 ? -26.605 -19.216 25.784 1.00 27.43 ? 498 LYS A O 1 ATOM 1174 C CB . LYS A 1 157 ? -24.755 -19.350 28.090 1.00 27.37 ? 498 LYS A CB 1 ATOM 1175 C CG . LYS A 1 157 ? -23.617 -19.579 29.077 1.00 29.03 ? 498 LYS A CG 1 ATOM 1176 C CD . LYS A 1 157 ? -24.201 -19.828 30.485 1.00 28.31 ? 498 LYS A CD 1 ATOM 1177 C CE . LYS A 1 157 ? -24.791 -18.548 31.141 1.00 29.92 ? 498 LYS A CE 1 ATOM 1178 N NZ . LYS A 1 157 ? -23.732 -17.662 31.716 1.00 28.65 ? 498 LYS A NZ 1 ATOM 1179 N N . SER A 1 158 ? -25.880 -17.080 25.839 1.00 26.37 ? 499 SER A N 1 ATOM 1180 C CA . SER A 1 158 ? -27.089 -16.519 25.212 1.00 25.52 ? 499 SER A CA 1 ATOM 1181 C C . SER A 1 158 ? -27.119 -16.687 23.698 1.00 25.36 ? 499 SER A C 1 ATOM 1182 O O . SER A 1 158 ? -26.086 -16.921 23.075 1.00 24.61 ? 499 SER A O 1 ATOM 1183 C CB . SER A 1 158 ? -27.222 -15.034 25.548 1.00 25.67 ? 499 SER A CB 1 ATOM 1184 O OG . SER A 1 158 ? -26.175 -14.277 24.956 1.00 26.16 ? 499 SER A OG 1 ATOM 1185 N N . ARG A 1 159 ? -28.313 -16.530 23.114 1.00 25.58 ? 500 ARG A N 1 ATOM 1186 C CA . ARG A 1 159 ? -28.497 -16.495 21.655 1.00 25.63 ? 500 ARG A CA 1 ATOM 1187 C C . ARG A 1 159 ? -27.677 -15.410 20.955 1.00 24.39 ? 500 ARG A C 1 ATOM 1188 O O . ARG A 1 159 ? -27.302 -15.571 19.792 1.00 24.36 ? 500 ARG A O 1 ATOM 1189 C CB . ARG A 1 159 ? -29.981 -16.346 21.295 1.00 26.62 ? 500 ARG A CB 1 ATOM 1190 C CG . ARG A 1 159 ? -30.629 -15.116 21.892 1.00 31.15 ? 500 ARG A CG 1 ATOM 1191 C CD . ARG A 1 159 ? -31.981 -15.447 22.525 1.00 38.45 ? 500 ARG A CD 1 ATOM 1192 N NE . ARG A 1 159 ? -33.087 -14.900 21.746 1.00 42.75 ? 500 ARG A NE 1 ATOM 1193 C CZ . ARG A 1 159 ? -34.070 -15.626 21.227 1.00 45.88 ? 500 ARG A CZ 1 ATOM 1194 N NH1 . ARG A 1 159 ? -34.080 -16.944 21.400 1.00 47.97 ? 500 ARG A NH1 1 ATOM 1195 N NH2 . ARG A 1 159 ? -35.043 -15.035 20.535 1.00 46.37 ? 500 ARG A NH2 1 ATOM 1196 N N . LEU A 1 160 ? -27.387 -14.326 21.678 1.00 23.39 ? 501 LEU A N 1 ATOM 1197 C CA . LEU A 1 160 ? -26.530 -13.242 21.190 1.00 22.41 ? 501 LEU A CA 1 ATOM 1198 C C . LEU A 1 160 ? -25.078 -13.648 20.916 1.00 21.56 ? 501 LEU A C 1 ATOM 1199 O O . LEU A 1 160 ? -24.388 -12.942 20.206 1.00 21.39 ? 501 LEU A O 1 ATOM 1200 C CB . LEU A 1 160 ? -26.570 -12.036 22.145 1.00 22.75 ? 501 LEU A CB 1 ATOM 1201 C CG . LEU A 1 160 ? -27.841 -11.169 22.137 1.00 23.32 ? 501 LEU A CG 1 ATOM 1202 C CD1 . LEU A 1 160 ? -27.891 -10.225 23.359 1.00 20.25 ? 501 LEU A CD1 1 ATOM 1203 C CD2 . LEU A 1 160 ? -28.012 -10.382 20.837 1.00 22.33 ? 501 LEU A CD2 1 ATOM 1204 N N . CYS A 1 161 ? -24.618 -14.771 21.476 1.00 20.83 ? 502 CYS A N 1 ATOM 1205 C CA . CYS A 1 161 ? -23.299 -15.313 21.129 1.00 20.81 ? 502 CYS A CA 1 ATOM 1206 C C . CYS A 1 161 ? -23.339 -16.597 20.291 1.00 20.96 ? 502 CYS A C 1 ATOM 1207 O O . CYS A 1 161 ? -22.285 -17.132 19.944 1.00 20.65 ? 502 CYS A O 1 ATOM 1208 C CB . CYS A 1 161 ? -22.442 -15.560 22.375 1.00 20.07 ? 502 CYS A CB 1 ATOM 1209 S SG . CYS A 1 161 ? -21.921 -14.063 23.181 1.00 20.24 ? 502 CYS A SG 1 ATOM 1210 N N . ALA A 1 162 ? -24.539 -17.070 19.958 1.00 21.15 ? 503 ALA A N 1 ATOM 1211 C CA . ALA A 1 162 ? -24.691 -18.390 19.351 1.00 22.00 ? 503 ALA A CA 1 ATOM 1212 C C . ALA A 1 162 ? -23.940 -18.530 18.052 1.00 22.23 ? 503 ALA A C 1 ATOM 1213 O O . ALA A 1 162 ? -23.482 -19.610 17.714 1.00 23.52 ? 503 ALA A O 1 ATOM 1214 C CB . ALA A 1 162 ? -26.169 -18.741 19.162 1.00 22.20 ? 503 ALA A CB 1 ATOM 1215 N N . LEU A 1 163 ? -23.766 -17.427 17.340 1.00 22.68 ? 504 LEU A N 1 ATOM 1216 C CA . LEU A 1 163 ? -23.206 -17.455 15.992 1.00 22.46 ? 504 LEU A CA 1 ATOM 1217 C C . LEU A 1 163 ? -21.703 -17.166 15.953 1.00 22.38 ? 504 LEU A C 1 ATOM 1218 O O . LEU A 1 163 ? -21.052 -17.319 14.900 1.00 22.41 ? 504 LEU A O 1 ATOM 1219 C CB . LEU A 1 163 ? -23.980 -16.471 15.109 1.00 22.62 ? 504 LEU A CB 1 ATOM 1220 C CG . LEU A 1 163 ? -25.087 -16.952 14.153 1.00 23.82 ? 504 LEU A CG 1 ATOM 1221 C CD1 . LEU A 1 163 ? -25.828 -18.248 14.546 1.00 22.98 ? 504 LEU A CD1 1 ATOM 1222 C CD2 . LEU A 1 163 ? -26.045 -15.816 13.839 1.00 22.81 ? 504 LEU A CD2 1 ATOM 1223 N N . CYS A 1 164 ? -21.149 -16.743 17.091 1.00 21.80 ? 505 CYS A N 1 ATOM 1224 C CA . CYS A 1 164 ? -19.714 -16.451 17.171 1.00 21.22 ? 505 CYS A CA 1 ATOM 1225 C C . CYS A 1 164 ? -18.919 -17.739 17.153 1.00 21.32 ? 505 CYS A C 1 ATOM 1226 O O . CYS A 1 164 ? -19.390 -18.782 17.596 1.00 21.56 ? 505 CYS A O 1 ATOM 1227 C CB . CYS A 1 164 ? -19.380 -15.646 18.417 1.00 20.90 ? 505 CYS A CB 1 ATOM 1228 S SG . CYS A 1 164 ? -20.217 -14.036 18.519 1.00 20.77 ? 505 CYS A SG 1 ATOM 1229 N N . ALA A 1 165 ? -17.697 -17.659 16.653 1.00 21.25 ? 506 ALA A N 1 ATOM 1230 C CA . ALA A 1 165 ? -16.947 -18.853 16.372 1.00 21.43 ? 506 ALA A CA 1 ATOM 1231 C C . ALA A 1 165 ? -15.726 -19.007 17.278 1.00 21.67 ? 506 ALA A C 1 ATOM 1232 O O . ALA A 1 165 ? -15.167 -20.086 17.347 1.00 22.47 ? 506 ALA A O 1 ATOM 1233 C CB . ALA A 1 165 ? -16.528 -18.871 14.878 1.00 20.84 ? 506 ALA A CB 1 ATOM 1234 N N . GLY A 1 166 ? -15.315 -17.943 17.967 1.00 21.37 ? 507 GLY A N 1 ATOM 1235 C CA . GLY A 1 166 ? -14.031 -17.948 18.653 1.00 21.14 ? 507 GLY A CA 1 ATOM 1236 C C . GLY A 1 166 ? -12.839 -17.960 17.700 1.00 21.97 ? 507 GLY A C 1 ATOM 1237 O O . GLY A 1 166 ? -12.939 -17.521 16.549 1.00 21.19 ? 507 GLY A O 1 ATOM 1238 N N . ASP A 1 167 ? -11.709 -18.480 18.191 1.00 22.82 ? 508 ASP A N 1 ATOM 1239 C CA . ASP A 1 167 ? -10.428 -18.437 17.493 1.00 23.87 ? 508 ASP A CA 1 ATOM 1240 C C . ASP A 1 167 ? -10.141 -19.725 16.691 1.00 24.66 ? 508 ASP A C 1 ATOM 1241 O O . ASP A 1 167 ? -11.044 -20.542 16.500 1.00 24.84 ? 508 ASP A O 1 ATOM 1242 C CB . ASP A 1 167 ? -9.292 -18.101 18.478 1.00 23.42 ? 508 ASP A CB 1 ATOM 1243 C CG . ASP A 1 167 ? -8.924 -19.269 19.421 1.00 23.88 ? 508 ASP A CG 1 ATOM 1244 O OD1 . ASP A 1 167 ? -9.455 -20.392 19.312 1.00 23.70 ? 508 ASP A OD1 1 ATOM 1245 O OD2 . ASP A 1 167 ? -8.076 -19.061 20.296 1.00 24.65 ? 508 ASP A OD2 1 ATOM 1246 N N . ASP A 1 168 ? -8.898 -19.873 16.233 0.50 25.95 ? 509 ASP A N 1 ATOM 1247 C CA . ASP A 1 168 ? -8.401 -21.051 15.502 0.50 27.60 ? 509 ASP A CA 1 ATOM 1248 C C . ASP A 1 168 ? -8.879 -22.369 16.078 0.50 28.28 ? 509 ASP A C 1 ATOM 1249 O O . ASP A 1 168 ? -9.217 -23.299 15.346 0.50 28.59 ? 509 ASP A O 1 ATOM 1250 C CB . ASP A 1 168 ? -6.863 -21.057 15.525 0.50 28.06 ? 509 ASP A CB 1 ATOM 1251 C CG . ASP A 1 168 ? -6.249 -20.189 14.436 0.50 29.67 ? 509 ASP A CG 1 ATOM 1252 O OD1 . ASP A 1 168 ? -6.782 -20.172 13.304 0.50 31.48 ? 509 ASP A OD1 1 ATOM 1253 O OD2 . ASP A 1 168 ? -5.217 -19.533 14.705 0.50 32.41 ? 509 ASP A OD2 1 ATOM 1254 N N . GLN A 1 169 ? -8.907 -22.422 17.406 1.00 29.34 ? 510 GLN A N 1 ATOM 1255 C CA . GLN A 1 169 ? -9.152 -23.637 18.172 1.00 30.07 ? 510 GLN A CA 1 ATOM 1256 C C . GLN A 1 169 ? -10.531 -23.692 18.762 1.00 29.41 ? 510 GLN A C 1 ATOM 1257 O O . GLN A 1 169 ? -10.857 -24.651 19.466 1.00 29.77 ? 510 GLN A O 1 ATOM 1258 C CB . GLN A 1 169 ? -8.198 -23.686 19.363 1.00 30.87 ? 510 GLN A CB 1 ATOM 1259 C CG . GLN A 1 169 ? -6.773 -23.998 19.042 1.00 34.87 ? 510 GLN A CG 1 ATOM 1260 C CD . GLN A 1 169 ? -6.067 -24.598 20.244 1.00 40.87 ? 510 GLN A CD 1 ATOM 1261 O OE1 . GLN A 1 169 ? -6.277 -25.779 20.589 1.00 43.18 ? 510 GLN A OE1 1 ATOM 1262 N NE2 . GLN A 1 169 ? -5.233 -23.791 20.899 1.00 42.25 ? 510 GLN A NE2 1 ATOM 1263 N N . GLY A 1 170 ? -11.319 -22.647 18.549 1.00 28.76 ? 511 GLY A N 1 ATOM 1264 C CA . GLY A 1 170 ? -12.660 -22.599 19.110 1.00 27.93 ? 511 GLY A CA 1 ATOM 1265 C C . GLY A 1 170 ? -12.714 -22.035 20.518 1.00 27.62 ? 511 GLY A C 1 ATOM 1266 O O . GLY A 1 170 ? -13.788 -22.034 21.160 1.00 27.84 ? 511 GLY A O 1 ATOM 1267 N N . LEU A 1 171 ? -11.575 -21.535 21.005 1.00 26.14 ? 512 LEU A N 1 ATOM 1268 C CA . LEU A 1 171 ? -11.534 -20.893 22.308 1.00 25.19 ? 512 LEU A CA 1 ATOM 1269 C C . LEU A 1 171 ? -11.924 -19.432 22.151 1.00 24.63 ? 512 LEU A C 1 ATOM 1270 O O . LEU A 1 171 ? -11.849 -18.875 21.053 1.00 24.26 ? 512 LEU A O 1 ATOM 1271 C CB . LEU A 1 171 ? -10.137 -20.996 22.935 1.00 25.44 ? 512 LEU A CB 1 ATOM 1272 C CG . LEU A 1 171 ? -9.446 -22.357 23.138 1.00 25.93 ? 512 LEU A CG 1 ATOM 1273 C CD1 . LEU A 1 171 ? -8.092 -22.101 23.693 1.00 26.84 ? 512 LEU A CD1 1 ATOM 1274 C CD2 . LEU A 1 171 ? -10.186 -23.265 24.075 1.00 25.63 ? 512 LEU A CD2 1 ATOM 1275 N N . ASP A 1 172 ? -12.326 -18.815 23.255 1.00 24.39 ? 513 ASP A N 1 ATOM 1276 C CA . ASP A 1 172 ? -12.620 -17.381 23.302 1.00 24.45 ? 513 ASP A CA 1 ATOM 1277 C C . ASP A 1 172 ? -13.845 -16.977 22.489 1.00 24.03 ? 513 ASP A C 1 ATOM 1278 O O . ASP A 1 172 ? -13.894 -15.866 21.937 1.00 24.50 ? 513 ASP A O 1 ATOM 1279 C CB . ASP A 1 172 ? -11.403 -16.586 22.845 1.00 24.80 ? 513 ASP A CB 1 ATOM 1280 C CG . ASP A 1 172 ? -10.416 -16.374 23.942 1.00 27.33 ? 513 ASP A CG 1 ATOM 1281 O OD1 . ASP A 1 172 ? -10.809 -16.437 25.124 1.00 31.95 ? 513 ASP A OD1 1 ATOM 1282 O OD2 . ASP A 1 172 ? -9.243 -16.139 23.628 1.00 29.67 ? 513 ASP A OD2 1 ATOM 1283 N N . LYS A 1 173 ? -14.816 -17.885 22.400 1.00 23.33 ? 514 LYS A N 1 ATOM 1284 C CA . LYS A 1 173 ? -16.079 -17.616 21.713 1.00 22.67 ? 514 LYS A CA 1 ATOM 1285 C C . LYS A 1 173 ? -16.732 -16.376 22.293 1.00 21.84 ? 514 LYS A C 1 ATOM 1286 O O . LYS A 1 173 ? -16.993 -16.295 23.509 1.00 20.63 ? 514 LYS A O 1 ATOM 1287 C CB . LYS A 1 173 ? -17.021 -18.804 21.834 1.00 23.49 ? 514 LYS A CB 1 ATOM 1288 C CG . LYS A 1 173 ? -18.256 -18.718 20.945 1.00 27.49 ? 514 LYS A CG 1 ATOM 1289 C CD . LYS A 1 173 ? -18.937 -20.071 20.838 1.00 34.58 ? 514 LYS A CD 1 ATOM 1290 C CE . LYS A 1 173 ? -18.118 -21.031 19.932 1.00 38.11 ? 514 LYS A CE 1 ATOM 1291 N NZ . LYS A 1 173 ? -18.542 -22.478 20.084 1.00 41.77 ? 514 LYS A NZ 1 ATOM 1292 N N . CYS A 1 174 ? -16.967 -15.402 21.409 1.00 20.23 ? 515 CYS A N 1 ATOM 1293 C CA . CYS A 1 174 ? -17.706 -14.190 21.750 1.00 19.32 ? 515 CYS A CA 1 ATOM 1294 C C . CYS A 1 174 ? -16.922 -13.137 22.566 1.00 18.87 ? 515 CYS A C 1 ATOM 1295 O O . CYS A 1 174 ? -17.527 -12.208 23.076 1.00 19.36 ? 515 CYS A O 1 ATOM 1296 C CB . CYS A 1 174 ? -19.033 -14.554 22.438 1.00 19.10 ? 515 CYS A CB 1 ATOM 1297 S SG . CYS A 1 174 ? -20.425 -13.424 22.028 1.00 18.00 ? 515 CYS A SG 1 ATOM 1298 N N . VAL A 1 175 ? -15.602 -13.262 22.687 1.00 18.71 ? 516 VAL A N 1 ATOM 1299 C CA . VAL A 1 175 ? -14.814 -12.244 23.400 1.00 19.49 ? 516 VAL A CA 1 ATOM 1300 C C . VAL A 1 175 ? -14.768 -10.995 22.548 1.00 18.98 ? 516 VAL A C 1 ATOM 1301 O O . VAL A 1 175 ? -14.684 -11.110 21.333 1.00 19.42 ? 516 VAL A O 1 ATOM 1302 C CB . VAL A 1 175 ? -13.333 -12.656 23.703 1.00 19.80 ? 516 VAL A CB 1 ATOM 1303 C CG1 . VAL A 1 175 ? -13.268 -13.777 24.726 1.00 20.88 ? 516 VAL A CG1 1 ATOM 1304 C CG2 . VAL A 1 175 ? -12.544 -13.019 22.409 1.00 20.64 ? 516 VAL A CG2 1 ATOM 1305 N N . PRO A 1 176 ? -14.849 -9.802 23.170 1.00 18.47 ? 517 PRO A N 1 ATOM 1306 C CA . PRO A 1 176 ? -14.780 -8.578 22.369 1.00 17.76 ? 517 PRO A CA 1 ATOM 1307 C C . PRO A 1 176 ? -13.352 -8.118 22.059 1.00 18.06 ? 517 PRO A C 1 ATOM 1308 O O . PRO A 1 176 ? -12.913 -7.014 22.463 1.00 17.10 ? 517 PRO A O 1 ATOM 1309 C CB . PRO A 1 176 ? -15.563 -7.567 23.208 1.00 17.67 ? 517 PRO A CB 1 ATOM 1310 C CG . PRO A 1 176 ? -15.427 -8.045 24.633 1.00 17.52 ? 517 PRO A CG 1 ATOM 1311 C CD . PRO A 1 176 ? -15.107 -9.521 24.596 1.00 17.96 ? 517 PRO A CD 1 ATOM 1312 N N . ASN A 1 177 ? -12.649 -8.969 21.317 1.00 17.62 ? 518 ASN A N 1 ATOM 1313 C CA . ASN A 1 177 ? -11.352 -8.650 20.760 1.00 18.02 ? 518 ASN A CA 1 ATOM 1314 C C . ASN A 1 177 ? -11.159 -9.508 19.519 1.00 18.69 ? 518 ASN A C 1 ATOM 1315 O O . ASN A 1 177 ? -11.950 -10.431 19.271 1.00 18.73 ? 518 ASN A O 1 ATOM 1316 C CB . ASN A 1 177 ? -10.201 -8.770 21.799 1.00 17.44 ? 518 ASN A CB 1 ATOM 1317 C CG . ASN A 1 177 ? -9.795 -10.210 22.109 1.00 18.39 ? 518 ASN A CG 1 ATOM 1318 O OD1 . ASN A 1 177 ? -9.673 -11.050 21.223 1.00 21.62 ? 518 ASN A OD1 1 ATOM 1319 N ND2 . ASN A 1 177 ? -9.548 -10.485 23.368 1.00 14.92 ? 518 ASN A ND2 1 ATOM 1320 N N . SER A 1 178 ? -10.109 -9.218 18.756 1.00 18.84 ? 519 SER A N 1 ATOM 1321 C CA . SER A 1 178 ? -9.958 -9.784 17.418 1.00 20.02 ? 519 SER A CA 1 ATOM 1322 C C . SER A 1 178 ? -9.625 -11.276 17.382 1.00 20.81 ? 519 SER A C 1 ATOM 1323 O O . SER A 1 178 ? -9.535 -11.856 16.299 1.00 21.86 ? 519 SER A O 1 ATOM 1324 C CB . SER A 1 178 ? -8.949 -8.971 16.602 1.00 19.42 ? 519 SER A CB 1 ATOM 1325 O OG . SER A 1 178 ? -7.645 -9.157 17.126 1.00 20.74 ? 519 SER A OG 1 ATOM 1326 N N . LYS A 1 179 ? -9.452 -11.901 18.546 1.00 21.15 ? 520 LYS A N 1 ATOM 1327 C CA . LYS A 1 179 ? -9.374 -13.360 18.623 1.00 21.77 ? 520 LYS A CA 1 ATOM 1328 C C . LYS A 1 179 ? -10.679 -14.007 18.193 1.00 21.44 ? 520 LYS A C 1 ATOM 1329 O O . LYS A 1 179 ? -10.660 -15.124 17.675 1.00 21.54 ? 520 LYS A O 1 ATOM 1330 C CB . LYS A 1 179 ? -9.040 -13.834 20.030 1.00 22.30 ? 520 LYS A CB 1 ATOM 1331 C CG . LYS A 1 179 ? -7.585 -13.731 20.370 1.00 25.69 ? 520 LYS A CG 1 ATOM 1332 C CD . LYS A 1 179 ? -7.286 -14.613 21.554 1.00 30.63 ? 520 LYS A CD 1 ATOM 1333 C CE . LYS A 1 179 ? -6.979 -16.023 21.070 1.00 32.76 ? 520 LYS A CE 1 ATOM 1334 N NZ . LYS A 1 179 ? -7.544 -17.015 22.012 1.00 33.75 ? 520 LYS A NZ 1 ATOM 1335 N N . GLU A 1 180 ? -11.803 -13.321 18.439 1.00 20.19 ? 521 GLU A N 1 ATOM 1336 C CA . GLU A 1 180 ? -13.093 -13.779 17.945 1.00 19.86 ? 521 GLU A CA 1 ATOM 1337 C C . GLU A 1 180 ? -13.138 -13.578 16.422 1.00 19.54 ? 521 GLU A C 1 ATOM 1338 O O . GLU A 1 180 ? -12.908 -12.476 15.926 1.00 20.13 ? 521 GLU A O 1 ATOM 1339 C CB . GLU A 1 180 ? -14.261 -13.076 18.665 1.00 19.45 ? 521 GLU A CB 1 ATOM 1340 C CG . GLU A 1 180 ? -15.639 -13.148 17.959 1.00 17.95 ? 521 GLU A CG 1 ATOM 1341 C CD . GLU A 1 180 ? -16.143 -14.566 17.739 1.00 18.59 ? 521 GLU A CD 1 ATOM 1342 O OE1 . GLU A 1 180 ? -16.290 -15.335 18.727 1.00 21.71 ? 521 GLU A OE1 1 ATOM 1343 O OE2 . GLU A 1 180 ? -16.412 -14.918 16.576 1.00 16.18 ? 521 GLU A OE2 1 ATOM 1344 N N . LYS A 1 181 ? -13.417 -14.656 15.701 1.00 18.95 ? 522 LYS A N 1 ATOM 1345 C CA . LYS A 1 181 ? -13.481 -14.648 14.238 1.00 19.06 ? 522 LYS A CA 1 ATOM 1346 C C . LYS A 1 181 ? -14.384 -13.539 13.671 1.00 17.89 ? 522 LYS A C 1 ATOM 1347 O O . LYS A 1 181 ? -14.013 -12.854 12.726 1.00 16.97 ? 522 LYS A O 1 ATOM 1348 C CB . LYS A 1 181 ? -13.978 -16.007 13.755 1.00 18.61 ? 522 LYS A CB 1 ATOM 1349 C CG . LYS A 1 181 ? -13.734 -16.294 12.300 1.00 22.43 ? 522 LYS A CG 1 ATOM 1350 C CD . LYS A 1 181 ? -14.456 -17.587 11.918 1.00 25.43 ? 522 LYS A CD 1 ATOM 1351 C CE . LYS A 1 181 ? -13.856 -18.188 10.685 1.00 28.56 ? 522 LYS A CE 1 ATOM 1352 N NZ . LYS A 1 181 ? -14.456 -19.546 10.390 1.00 32.75 ? 522 LYS A NZ 1 ATOM 1353 N N . TYR A 1 182 ? -15.562 -13.378 14.267 1.00 17.60 ? 523 TYR A N 1 ATOM 1354 C CA . TYR A 1 182 ? -16.558 -12.426 13.780 1.00 17.31 ? 523 TYR A CA 1 ATOM 1355 C C . TYR A 1 182 ? -16.625 -11.102 14.569 1.00 16.82 ? 523 TYR A C 1 ATOM 1356 O O . TYR A 1 182 ? -17.662 -10.426 14.583 1.00 17.15 ? 523 TYR A O 1 ATOM 1357 C CB . TYR A 1 182 ? -17.933 -13.088 13.660 1.00 17.04 ? 523 TYR A CB 1 ATOM 1358 C CG . TYR A 1 182 ? -17.948 -14.305 12.779 1.00 16.87 ? 523 TYR A CG 1 ATOM 1359 C CD1 . TYR A 1 182 ? -17.374 -14.286 11.511 1.00 17.02 ? 523 TYR A CD1 1 ATOM 1360 C CD2 . TYR A 1 182 ? -18.554 -15.484 13.209 1.00 17.75 ? 523 TYR A CD2 1 ATOM 1361 C CE1 . TYR A 1 182 ? -17.403 -15.419 10.692 1.00 18.05 ? 523 TYR A CE1 1 ATOM 1362 C CE2 . TYR A 1 182 ? -18.571 -16.623 12.420 1.00 18.06 ? 523 TYR A CE2 1 ATOM 1363 C CZ . TYR A 1 182 ? -18.002 -16.589 11.164 1.00 18.76 ? 523 TYR A CZ 1 ATOM 1364 O OH . TYR A 1 182 ? -18.044 -17.727 10.375 1.00 19.01 ? 523 TYR A OH 1 ATOM 1365 N N . TYR A 1 183 ? -15.501 -10.725 15.172 1.00 16.66 ? 524 TYR A N 1 ATOM 1366 C CA . TYR A 1 183 ? -15.368 -9.443 15.888 1.00 16.71 ? 524 TYR A CA 1 ATOM 1367 C C . TYR A 1 183 ? -15.112 -8.251 14.942 1.00 16.70 ? 524 TYR A C 1 ATOM 1368 O O . TYR A 1 183 ? -14.383 -8.372 13.954 1.00 16.24 ? 524 TYR A O 1 ATOM 1369 C CB . TYR A 1 183 ? -14.219 -9.510 16.930 1.00 16.87 ? 524 TYR A CB 1 ATOM 1370 C CG . TYR A 1 183 ? -13.955 -8.174 17.620 1.00 15.95 ? 524 TYR A CG 1 ATOM 1371 C CD1 . TYR A 1 183 ? -14.789 -7.730 18.642 1.00 14.21 ? 524 TYR A CD1 1 ATOM 1372 C CD2 . TYR A 1 183 ? -12.891 -7.358 17.243 1.00 17.46 ? 524 TYR A CD2 1 ATOM 1373 C CE1 . TYR A 1 183 ? -14.594 -6.491 19.264 1.00 16.74 ? 524 TYR A CE1 1 ATOM 1374 C CE2 . TYR A 1 183 ? -12.674 -6.090 17.878 1.00 15.86 ? 524 TYR A CE2 1 ATOM 1375 C CZ . TYR A 1 183 ? -13.544 -5.685 18.873 1.00 16.29 ? 524 TYR A CZ 1 ATOM 1376 O OH . TYR A 1 183 ? -13.380 -4.496 19.516 1.00 19.11 ? 524 TYR A OH 1 ATOM 1377 N N . GLY A 1 184 ? -15.680 -7.095 15.264 1.00 16.49 ? 525 GLY A N 1 ATOM 1378 C CA . GLY A 1 184 ? -15.309 -5.875 14.559 1.00 16.49 ? 525 GLY A CA 1 ATOM 1379 C C . GLY A 1 184 ? -16.021 -5.694 13.238 1.00 16.74 ? 525 GLY A C 1 ATOM 1380 O O . GLY A 1 184 ? -16.876 -6.511 12.849 1.00 16.96 ? 525 GLY A O 1 ATOM 1381 N N . TYR A 1 185 ? -15.681 -4.614 12.551 1.00 16.39 ? 526 TYR A N 1 ATOM 1382 C CA . TYR A 1 185 ? -16.222 -4.364 11.234 1.00 16.09 ? 526 TYR A CA 1 ATOM 1383 C C . TYR A 1 185 ? -15.941 -5.525 10.292 1.00 16.55 ? 526 TYR A C 1 ATOM 1384 O O . TYR A 1 185 ? -16.846 -5.987 9.580 1.00 15.74 ? 526 TYR A O 1 ATOM 1385 C CB . TYR A 1 185 ? -15.599 -3.123 10.618 1.00 15.39 ? 526 TYR A CB 1 ATOM 1386 C CG . TYR A 1 185 ? -15.893 -1.834 11.331 1.00 15.61 ? 526 TYR A CG 1 ATOM 1387 C CD1 . TYR A 1 185 ? -17.199 -1.345 11.452 1.00 14.17 ? 526 TYR A CD1 1 ATOM 1388 C CD2 . TYR A 1 185 ? -14.854 -1.077 11.837 1.00 13.02 ? 526 TYR A CD2 1 ATOM 1389 C CE1 . TYR A 1 185 ? -17.444 -0.138 12.104 1.00 16.90 ? 526 TYR A CE1 1 ATOM 1390 C CE2 . TYR A 1 185 ? -15.085 0.107 12.461 1.00 14.97 ? 526 TYR A CE2 1 ATOM 1391 C CZ . TYR A 1 185 ? -16.362 0.581 12.587 1.00 15.35 ? 526 TYR A CZ 1 ATOM 1392 O OH . TYR A 1 185 ? -16.523 1.775 13.221 1.00 17.41 ? 526 TYR A OH 1 ATOM 1393 N N . THR A 1 186 ? -14.681 -5.946 10.237 1.00 17.07 ? 527 THR A N 1 ATOM 1394 C CA . THR A 1 186 ? -14.292 -6.993 9.290 1.00 18.83 ? 527 THR A CA 1 ATOM 1395 C C . THR A 1 186 ? -14.956 -8.335 9.653 1.00 18.18 ? 527 THR A C 1 ATOM 1396 O O . THR A 1 186 ? -15.484 -9.025 8.784 1.00 18.13 ? 527 THR A O 1 ATOM 1397 C CB . THR A 1 186 ? -12.756 -7.118 9.187 1.00 18.88 ? 527 THR A CB 1 ATOM 1398 O OG1 . THR A 1 186 ? -12.241 -5.865 8.756 1.00 22.14 ? 527 THR A OG1 1 ATOM 1399 C CG2 . THR A 1 186 ? -12.349 -8.157 8.107 1.00 21.07 ? 527 THR A CG2 1 ATOM 1400 N N . GLY A 1 187 ? -14.935 -8.671 10.944 1.00 18.18 ? 528 GLY A N 1 ATOM 1401 C CA . GLY A 1 187 ? -15.493 -9.927 11.452 1.00 17.42 ? 528 GLY A CA 1 ATOM 1402 C C . GLY A 1 187 ? -16.983 -10.027 11.218 1.00 17.34 ? 528 GLY A C 1 ATOM 1403 O O . GLY A 1 187 ? -17.465 -11.050 10.738 1.00 17.76 ? 528 GLY A O 1 ATOM 1404 N N . ALA A 1 188 ? -17.718 -8.971 11.556 1.00 17.16 ? 529 ALA A N 1 ATOM 1405 C CA . ALA A 1 188 ? -19.167 -8.913 11.303 1.00 17.30 ? 529 ALA A CA 1 ATOM 1406 C C . ALA A 1 188 ? -19.522 -9.036 9.807 1.00 17.48 ? 529 ALA A C 1 ATOM 1407 O O . ALA A 1 188 ? -20.475 -9.712 9.433 1.00 18.26 ? 529 ALA A O 1 ATOM 1408 C CB . ALA A 1 188 ? -19.769 -7.618 11.893 1.00 17.07 ? 529 ALA A CB 1 ATOM 1409 N N . PHE A 1 189 ? -18.773 -8.370 8.949 1.00 17.10 ? 530 PHE A N 1 ATOM 1410 C CA . PHE A 1 189 ? -19.027 -8.497 7.540 1.00 17.60 ? 530 PHE A CA 1 ATOM 1411 C C . PHE A 1 189 ? -18.687 -9.924 7.021 1.00 18.21 ? 530 PHE A C 1 ATOM 1412 O O . PHE A 1 189 ? -19.391 -10.443 6.153 1.00 18.24 ? 530 PHE A O 1 ATOM 1413 C CB . PHE A 1 189 ? -18.309 -7.386 6.750 1.00 17.83 ? 530 PHE A CB 1 ATOM 1414 C CG . PHE A 1 189 ? -18.589 -7.421 5.270 1.00 16.08 ? 530 PHE A CG 1 ATOM 1415 C CD1 . PHE A 1 189 ? -19.863 -7.131 4.782 1.00 17.85 ? 530 PHE A CD1 1 ATOM 1416 C CD2 . PHE A 1 189 ? -17.589 -7.757 4.377 1.00 16.94 ? 530 PHE A CD2 1 ATOM 1417 C CE1 . PHE A 1 189 ? -20.137 -7.156 3.417 1.00 18.88 ? 530 PHE A CE1 1 ATOM 1418 C CE2 . PHE A 1 189 ? -17.840 -7.799 2.998 1.00 19.89 ? 530 PHE A CE2 1 ATOM 1419 C CZ . PHE A 1 189 ? -19.115 -7.499 2.517 1.00 19.85 ? 530 PHE A CZ 1 ATOM 1420 N N . ARG A 1 190 ? -17.645 -10.552 7.576 1.00 18.31 ? 531 ARG A N 1 ATOM 1421 C CA . ARG A 1 190 ? -17.323 -11.965 7.268 1.00 18.49 ? 531 ARG A CA 1 ATOM 1422 C C . ARG A 1 190 ? -18.423 -12.930 7.698 1.00 18.46 ? 531 ARG A C 1 ATOM 1423 O O . ARG A 1 190 ? -18.650 -13.960 7.058 1.00 18.21 ? 531 ARG A O 1 ATOM 1424 C CB . ARG A 1 190 ? -16.015 -12.383 7.923 1.00 18.96 ? 531 ARG A CB 1 ATOM 1425 C CG . ARG A 1 190 ? -15.617 -13.794 7.585 1.00 19.46 ? 531 ARG A CG 1 ATOM 1426 C CD . ARG A 1 190 ? -14.421 -14.237 8.358 1.00 23.92 ? 531 ARG A CD 1 ATOM 1427 N NE . ARG A 1 190 ? -13.945 -15.539 7.888 1.00 25.48 ? 531 ARG A NE 1 ATOM 1428 C CZ . ARG A 1 190 ? -12.791 -16.099 8.235 1.00 25.44 ? 531 ARG A CZ 1 ATOM 1429 N NH1 . ARG A 1 190 ? -11.975 -15.483 9.068 1.00 25.05 ? 531 ARG A NH1 1 ATOM 1430 N NH2 . ARG A 1 190 ? -12.459 -17.291 7.751 1.00 26.03 ? 531 ARG A NH2 1 ATOM 1431 N N . CYS A 1 191 ? -19.100 -12.580 8.791 1.00 18.97 ? 532 CYS A N 1 ATOM 1432 C CA . CYS A 1 191 ? -20.210 -13.348 9.356 1.00 18.76 ? 532 CYS A CA 1 ATOM 1433 C C . CYS A 1 191 ? -21.375 -13.367 8.339 1.00 19.43 ? 532 CYS A C 1 ATOM 1434 O O . CYS A 1 191 ? -22.015 -14.388 8.130 1.00 19.48 ? 532 CYS A O 1 ATOM 1435 C CB . CYS A 1 191 ? -20.588 -12.717 10.711 1.00 18.09 ? 532 CYS A CB 1 ATOM 1436 S SG . CYS A 1 191 ? -22.116 -13.215 11.542 1.00 18.58 ? 532 CYS A SG 1 ATOM 1437 N N . LEU A 1 192 ? -21.630 -12.231 7.694 1.00 20.22 ? 533 LEU A N 1 ATOM 1438 C CA . LEU A 1 192 ? -22.638 -12.168 6.657 1.00 20.44 ? 533 LEU A CA 1 ATOM 1439 C C . LEU A 1 192 ? -22.148 -12.844 5.350 1.00 21.33 ? 533 LEU A C 1 ATOM 1440 O O . LEU A 1 192 ? -22.878 -13.605 4.727 1.00 21.50 ? 533 LEU A O 1 ATOM 1441 C CB . LEU A 1 192 ? -23.063 -10.712 6.418 1.00 21.03 ? 533 LEU A CB 1 ATOM 1442 C CG . LEU A 1 192 ? -23.839 -10.392 5.126 1.00 20.59 ? 533 LEU A CG 1 ATOM 1443 C CD1 . LEU A 1 192 ? -25.318 -10.818 5.218 1.00 19.26 ? 533 LEU A CD1 1 ATOM 1444 C CD2 . LEU A 1 192 ? -23.694 -8.921 4.782 1.00 19.40 ? 533 LEU A CD2 1 ATOM 1445 N N . ALA A 1 193 ? -20.908 -12.575 4.961 1.00 22.03 ? 534 ALA A N 1 ATOM 1446 C CA . ALA A 1 193 ? -20.359 -13.091 3.718 1.00 22.86 ? 534 ALA A CA 1 ATOM 1447 C C . ALA A 1 193 ? -20.283 -14.619 3.685 1.00 23.52 ? 534 ALA A C 1 ATOM 1448 O O . ALA A 1 193 ? -20.364 -15.213 2.605 1.00 24.27 ? 534 ALA A O 1 ATOM 1449 C CB . ALA A 1 193 ? -18.985 -12.473 3.440 1.00 22.27 ? 534 ALA A CB 1 ATOM 1450 N N . GLU A 1 194 ? -20.124 -15.246 4.855 1.00 23.42 ? 535 GLU A N 1 ATOM 1451 C CA . GLU A 1 194 ? -20.065 -16.713 4.960 1.00 23.16 ? 535 GLU A CA 1 ATOM 1452 C C . GLU A 1 194 ? -21.439 -17.307 5.197 1.00 23.19 ? 535 GLU A C 1 ATOM 1453 O O . GLU A 1 194 ? -21.576 -18.524 5.317 1.00 23.23 ? 535 GLU A O 1 ATOM 1454 C CB . GLU A 1 194 ? -19.131 -17.132 6.091 1.00 22.67 ? 535 GLU A CB 1 ATOM 1455 C CG . GLU A 1 194 ? -17.695 -16.781 5.816 1.00 24.00 ? 535 GLU A CG 1 ATOM 1456 C CD . GLU A 1 194 ? -16.753 -17.249 6.886 1.00 24.67 ? 535 GLU A CD 1 ATOM 1457 O OE1 . GLU A 1 194 ? -17.196 -17.653 7.981 1.00 28.29 ? 535 GLU A OE1 1 ATOM 1458 O OE2 . GLU A 1 194 ? -15.548 -17.213 6.636 1.00 25.91 ? 535 GLU A OE2 1 ATOM 1459 N N . ASP A 1 195 ? -22.444 -16.438 5.287 1.00 23.16 ? 536 ASP A N 1 ATOM 1460 C CA . ASP A 1 195 ? -23.864 -16.832 5.426 1.00 23.65 ? 536 ASP A CA 1 ATOM 1461 C C . ASP A 1 195 ? -24.203 -17.429 6.772 1.00 22.70 ? 536 ASP A C 1 ATOM 1462 O O . ASP A 1 195 ? -25.159 -18.191 6.907 1.00 22.68 ? 536 ASP A O 1 ATOM 1463 C CB . ASP A 1 195 ? -24.358 -17.734 4.268 1.00 24.14 ? 536 ASP A CB 1 ATOM 1464 C CG . ASP A 1 195 ? -24.424 -16.986 2.950 1.00 26.10 ? 536 ASP A CG 1 ATOM 1465 O OD1 . ASP A 1 195 ? -25.032 -15.886 2.928 1.00 27.18 ? 536 ASP A OD1 1 ATOM 1466 O OD2 . ASP A 1 195 ? -23.832 -17.477 1.963 1.00 26.37 ? 536 ASP A OD2 1 ATOM 1467 N N . VAL A 1 196 ? -23.421 -17.033 7.767 1.00 22.04 ? 537 VAL A N 1 ATOM 1468 C CA . VAL A 1 196 ? -23.675 -17.376 9.151 1.00 21.43 ? 537 VAL A CA 1 ATOM 1469 C C . VAL A 1 196 ? -24.859 -16.538 9.641 1.00 21.22 ? 537 VAL A C 1 ATOM 1470 O O . VAL A 1 196 ? -25.741 -17.032 10.335 1.00 21.25 ? 537 VAL A O 1 ATOM 1471 C CB . VAL A 1 196 ? -22.394 -17.133 10.009 1.00 21.67 ? 537 VAL A CB 1 ATOM 1472 C CG1 . VAL A 1 196 ? -22.706 -17.139 11.510 1.00 20.02 ? 537 VAL A CG1 1 ATOM 1473 C CG2 . VAL A 1 196 ? -21.326 -18.160 9.657 1.00 21.74 ? 537 VAL A CG2 1 ATOM 1474 N N . GLY A 1 197 ? -24.872 -15.258 9.285 1.00 21.12 ? 538 GLY A N 1 ATOM 1475 C CA . GLY A 1 197 ? -25.994 -14.405 9.657 1.00 20.48 ? 538 GLY A CA 1 ATOM 1476 C C . GLY A 1 197 ? -26.671 -13.862 8.434 1.00 19.97 ? 538 GLY A C 1 ATOM 1477 O O . GLY A 1 197 ? -26.095 -13.895 7.349 1.00 19.91 ? 538 GLY A O 1 ATOM 1478 N N . ASP A 1 198 ? -27.892 -13.357 8.620 1.00 19.75 ? 539 ASP A N 1 ATOM 1479 C CA . ASP A 1 198 ? -28.685 -12.705 7.545 1.00 19.53 ? 539 ASP A CA 1 ATOM 1480 C C . ASP A 1 198 ? -28.380 -11.215 7.328 1.00 19.55 ? 539 ASP A C 1 ATOM 1481 O O . ASP A 1 198 ? -28.629 -10.679 6.243 1.00 19.06 ? 539 ASP A O 1 ATOM 1482 C CB . ASP A 1 198 ? -30.191 -12.859 7.815 1.00 19.28 ? 539 ASP A CB 1 ATOM 1483 C CG . ASP A 1 198 ? -30.622 -14.321 7.902 1.00 19.42 ? 539 ASP A CG 1 ATOM 1484 O OD1 . ASP A 1 198 ? -30.316 -15.090 6.965 1.00 19.06 ? 539 ASP A OD1 1 ATOM 1485 O OD2 . ASP A 1 198 ? -31.247 -14.695 8.910 1.00 19.89 ? 539 ASP A OD2 1 ATOM 1486 N N . VAL A 1 199 ? -27.872 -10.557 8.371 1.00 19.52 ? 540 VAL A N 1 ATOM 1487 C CA . VAL A 1 199 ? -27.606 -9.108 8.356 1.00 19.29 ? 540 VAL A CA 1 ATOM 1488 C C . VAL A 1 199 ? -26.339 -8.765 9.153 1.00 19.21 ? 540 VAL A C 1 ATOM 1489 O O . VAL A 1 199 ? -26.061 -9.388 10.183 1.00 19.53 ? 540 VAL A O 1 ATOM 1490 C CB . VAL A 1 199 ? -28.837 -8.267 8.827 1.00 19.50 ? 540 VAL A CB 1 ATOM 1491 C CG1 . VAL A 1 199 ? -29.281 -8.614 10.263 1.00 19.18 ? 540 VAL A CG1 1 ATOM 1492 C CG2 . VAL A 1 199 ? -28.566 -6.763 8.686 1.00 18.46 ? 540 VAL A CG2 1 ATOM 1493 N N . ALA A 1 200 ? -25.575 -7.802 8.641 1.00 18.60 ? 541 ALA A N 1 ATOM 1494 C CA . ALA A 1 200 ? -24.415 -7.268 9.323 1.00 18.37 ? 541 ALA A CA 1 ATOM 1495 C C . ALA A 1 200 ? -24.595 -5.777 9.573 1.00 18.60 ? 541 ALA A C 1 ATOM 1496 O O . ALA A 1 200 ? -25.010 -5.026 8.687 1.00 17.99 ? 541 ALA A O 1 ATOM 1497 C CB . ALA A 1 200 ? -23.135 -7.528 8.528 1.00 18.65 ? 541 ALA A CB 1 ATOM 1498 N N . PHE A 1 201 ? -24.290 -5.366 10.801 1.00 18.88 ? 542 PHE A N 1 ATOM 1499 C CA . PHE A 1 201 ? -24.314 -3.971 11.181 1.00 18.87 ? 542 PHE A CA 1 ATOM 1500 C C . PHE A 1 201 ? -22.886 -3.475 11.273 1.00 19.39 ? 542 PHE A C 1 ATOM 1501 O O . PHE A 1 201 ? -22.138 -3.765 12.229 1.00 19.13 ? 542 PHE A O 1 ATOM 1502 C CB . PHE A 1 201 ? -25.103 -3.782 12.469 1.00 19.02 ? 542 PHE A CB 1 ATOM 1503 C CG . PHE A 1 201 ? -26.528 -4.255 12.363 1.00 18.80 ? 542 PHE A CG 1 ATOM 1504 C CD1 . PHE A 1 201 ? -27.487 -3.486 11.682 1.00 17.58 ? 542 PHE A CD1 1 ATOM 1505 C CD2 . PHE A 1 201 ? -26.907 -5.480 12.899 1.00 18.24 ? 542 PHE A CD2 1 ATOM 1506 C CE1 . PHE A 1 201 ? -28.794 -3.919 11.573 1.00 16.67 ? 542 PHE A CE1 1 ATOM 1507 C CE2 . PHE A 1 201 ? -28.215 -5.924 12.795 1.00 18.15 ? 542 PHE A CE2 1 ATOM 1508 C CZ . PHE A 1 201 ? -29.169 -5.135 12.132 1.00 18.05 ? 542 PHE A CZ 1 ATOM 1509 N N . VAL A 1 202 ? -22.520 -2.741 10.225 1.00 19.67 ? 543 VAL A N 1 ATOM 1510 C CA . VAL A 1 202 ? -21.166 -2.297 9.996 1.00 19.63 ? 543 VAL A CA 1 ATOM 1511 C C . VAL A 1 202 ? -21.248 -0.859 9.483 1.00 20.22 ? 543 VAL A C 1 ATOM 1512 O O . VAL A 1 202 ? -22.267 -0.196 9.642 1.00 21.02 ? 543 VAL A O 1 ATOM 1513 C CB . VAL A 1 202 ? -20.445 -3.236 8.986 1.00 19.71 ? 543 VAL A CB 1 ATOM 1514 C CG1 . VAL A 1 202 ? -20.221 -4.628 9.593 1.00 20.30 ? 543 VAL A CG1 1 ATOM 1515 C CG2 . VAL A 1 202 ? -21.229 -3.358 7.672 1.00 18.10 ? 543 VAL A CG2 1 ATOM 1516 N N . LYS A 1 203 ? -20.175 -0.370 8.883 1.00 20.47 ? 544 LYS A N 1 ATOM 1517 C CA . LYS A 1 203 ? -20.162 0.968 8.311 1.00 20.86 ? 544 LYS A CA 1 ATOM 1518 C C . LYS A 1 203 ? -20.032 0.856 6.792 1.00 21.28 ? 544 LYS A C 1 ATOM 1519 O O . LYS A 1 203 ? -19.671 -0.203 6.277 1.00 21.71 ? 544 LYS A O 1 ATOM 1520 C CB . LYS A 1 203 ? -19.025 1.809 8.924 1.00 20.26 ? 544 LYS A CB 1 ATOM 1521 C CG . LYS A 1 203 ? -17.617 1.244 8.726 1.00 19.87 ? 544 LYS A CG 1 ATOM 1522 C CD . LYS A 1 203 ? -16.566 2.232 9.173 1.00 19.91 ? 544 LYS A CD 1 ATOM 1523 C CE . LYS A 1 203 ? -15.213 1.558 9.193 1.00 18.84 ? 544 LYS A CE 1 ATOM 1524 N NZ . LYS A 1 203 ? -14.102 2.484 9.540 1.00 18.25 ? 544 LYS A NZ 1 ATOM 1525 N N . ASN A 1 204 ? -20.317 1.939 6.083 1.00 22.10 ? 545 ASN A N 1 ATOM 1526 C CA . ASN A 1 204 ? -20.211 1.944 4.625 1.00 23.03 ? 545 ASN A CA 1 ATOM 1527 C C . ASN A 1 204 ? -18.876 1.422 4.077 1.00 22.79 ? 545 ASN A C 1 ATOM 1528 O O . ASN A 1 204 ? -18.859 0.600 3.161 1.00 23.22 ? 545 ASN A O 1 ATOM 1529 C CB . ASN A 1 204 ? -20.542 3.332 4.039 1.00 23.40 ? 545 ASN A CB 1 ATOM 1530 C CG . ASN A 1 204 ? -20.050 3.493 2.598 1.00 24.93 ? 545 ASN A CG 1 ATOM 1531 O OD1 . ASN A 1 204 ? -20.486 2.774 1.684 1.00 24.63 ? 545 ASN A OD1 1 ATOM 1532 N ND2 . ASN A 1 204 ? -19.118 4.429 2.404 1.00 28.08 ? 545 ASN A ND2 1 ATOM 1533 N N . ASP A 1 205 ? -17.776 1.905 4.642 1.00 22.33 ? 546 ASP A N 1 ATOM 1534 C CA . ASP A 1 205 ? -16.426 1.595 4.163 1.00 22.08 ? 546 ASP A CA 1 ATOM 1535 C C . ASP A 1 205 ? -16.052 0.102 4.199 1.00 21.98 ? 546 ASP A C 1 ATOM 1536 O O . ASP A 1 205 ? -15.279 -0.391 3.360 1.00 21.67 ? 546 ASP A O 1 ATOM 1537 C CB . ASP A 1 205 ? -15.411 2.419 4.958 1.00 22.33 ? 546 ASP A CB 1 ATOM 1538 C CG . ASP A 1 205 ? -15.801 3.901 5.052 1.00 24.24 ? 546 ASP A CG 1 ATOM 1539 O OD1 . ASP A 1 205 ? -16.613 4.285 5.920 1.00 25.14 ? 546 ASP A OD1 1 ATOM 1540 O OD2 . ASP A 1 205 ? -15.288 4.692 4.234 1.00 27.20 ? 546 ASP A OD2 1 ATOM 1541 N N . THR A 1 206 ? -16.584 -0.605 5.182 1.00 21.76 ? 547 THR A N 1 ATOM 1542 C CA . THR A 1 206 ? -16.337 -2.042 5.349 1.00 21.91 ? 547 THR A CA 1 ATOM 1543 C C . THR A 1 206 ? -16.717 -2.872 4.107 1.00 22.46 ? 547 THR A C 1 ATOM 1544 O O . THR A 1 206 ? -15.939 -3.718 3.679 1.00 21.79 ? 547 THR A O 1 ATOM 1545 C CB . THR A 1 206 ? -17.059 -2.569 6.604 1.00 21.64 ? 547 THR A CB 1 ATOM 1546 O OG1 . THR A 1 206 ? -16.664 -1.774 7.731 1.00 21.84 ? 547 THR A OG1 1 ATOM 1547 C CG2 . THR A 1 206 ? -16.721 -4.044 6.875 1.00 20.72 ? 547 THR A CG2 1 ATOM 1548 N N . VAL A 1 207 ? -17.900 -2.608 3.541 1.00 23.39 ? 548 VAL A N 1 ATOM 1549 C CA . VAL A 1 207 ? -18.376 -3.277 2.334 1.00 24.68 ? 548 VAL A CA 1 ATOM 1550 C C . VAL A 1 207 ? -17.405 -3.076 1.165 1.00 25.46 ? 548 VAL A C 1 ATOM 1551 O O . VAL A 1 207 ? -16.998 -4.048 0.538 1.00 24.96 ? 548 VAL A O 1 ATOM 1552 C CB . VAL A 1 207 ? -19.817 -2.813 1.940 1.00 25.33 ? 548 VAL A CB 1 ATOM 1553 C CG1 . VAL A 1 207 ? -20.297 -3.491 0.637 1.00 24.80 ? 548 VAL A CG1 1 ATOM 1554 C CG2 . VAL A 1 207 ? -20.801 -3.084 3.080 1.00 25.98 ? 548 VAL A CG2 1 ATOM 1555 N N . TRP A 1 208 ? -17.030 -1.816 0.908 1.00 26.36 ? 549 TRP A N 1 ATOM 1556 C CA . TRP A 1 208 ? -16.098 -1.443 -0.164 1.00 27.54 ? 549 TRP A CA 1 ATOM 1557 C C . TRP A 1 208 ? -14.691 -2.005 -0.009 1.00 28.14 ? 549 TRP A C 1 ATOM 1558 O O . TRP A 1 208 ? -14.063 -2.355 -1.002 1.00 28.74 ? 549 TRP A O 1 ATOM 1559 C CB . TRP A 1 208 ? -16.029 0.083 -0.321 1.00 27.75 ? 549 TRP A CB 1 ATOM 1560 C CG . TRP A 1 208 ? -17.309 0.646 -0.816 1.00 28.82 ? 549 TRP A CG 1 ATOM 1561 C CD1 . TRP A 1 208 ? -18.453 0.855 -0.094 1.00 29.14 ? 549 TRP A CD1 1 ATOM 1562 C CD2 . TRP A 1 208 ? -17.600 1.054 -2.151 1.00 30.14 ? 549 TRP A CD2 1 ATOM 1563 N NE1 . TRP A 1 208 ? -19.440 1.369 -0.896 1.00 28.84 ? 549 TRP A NE1 1 ATOM 1564 C CE2 . TRP A 1 208 ? -18.946 1.502 -2.167 1.00 30.46 ? 549 TRP A CE2 1 ATOM 1565 C CE3 . TRP A 1 208 ? -16.859 1.084 -3.342 1.00 30.14 ? 549 TRP A CE3 1 ATOM 1566 C CZ2 . TRP A 1 208 ? -19.565 1.975 -3.330 1.00 30.51 ? 549 TRP A CZ2 1 ATOM 1567 C CZ3 . TRP A 1 208 ? -17.469 1.562 -4.493 1.00 29.95 ? 549 TRP A CZ3 1 ATOM 1568 C CH2 . TRP A 1 208 ? -18.812 1.999 -4.479 1.00 30.13 ? 549 TRP A CH2 1 ATOM 1569 N N . GLU A 1 209 ? -14.193 -2.080 1.224 1.00 28.68 ? 550 GLU A N 1 ATOM 1570 C CA . GLU A 1 209 ? -12.838 -2.554 1.493 1.00 29.34 ? 550 GLU A CA 1 ATOM 1571 C C . GLU A 1 209 ? -12.703 -4.061 1.442 1.00 29.65 ? 550 GLU A C 1 ATOM 1572 O O . GLU A 1 209 ? -11.592 -4.571 1.413 1.00 29.61 ? 550 GLU A O 1 ATOM 1573 C CB . GLU A 1 209 ? -12.361 -2.077 2.867 1.00 29.79 ? 550 GLU A CB 1 ATOM 1574 C CG . GLU A 1 209 ? -11.868 -0.644 2.901 1.00 31.92 ? 550 GLU A CG 1 ATOM 1575 C CD . GLU A 1 209 ? -11.990 -0.018 4.280 1.00 35.19 ? 550 GLU A CD 1 ATOM 1576 O OE1 . GLU A 1 209 ? -12.127 -0.767 5.284 1.00 35.10 ? 550 GLU A OE1 1 ATOM 1577 O OE2 . GLU A 1 209 ? -11.967 1.232 4.347 1.00 36.96 ? 550 GLU A OE2 1 ATOM 1578 N N . ASN A 1 210 ? -13.825 -4.773 1.452 1.00 30.16 ? 551 ASN A N 1 ATOM 1579 C CA . ASN A 1 210 ? -13.788 -6.232 1.477 1.00 31.26 ? 551 ASN A CA 1 ATOM 1580 C C . ASN A 1 210 ? -14.459 -6.924 0.294 1.00 31.65 ? 551 ASN A C 1 ATOM 1581 O O . ASN A 1 210 ? -14.799 -8.108 0.365 1.00 31.34 ? 551 ASN A O 1 ATOM 1582 C CB . ASN A 1 210 ? -14.333 -6.749 2.808 1.00 30.97 ? 551 ASN A CB 1 ATOM 1583 C CG . ASN A 1 210 ? -13.472 -6.327 3.967 1.00 31.55 ? 551 ASN A CG 1 ATOM 1584 O OD1 . ASN A 1 210 ? -12.329 -6.771 4.091 1.00 31.95 ? 551 ASN A OD1 1 ATOM 1585 N ND2 . ASN A 1 210 ? -13.994 -5.434 4.807 1.00 30.45 ? 551 ASN A ND2 1 ATOM 1586 N N . THR A 1 211 ? -14.632 -6.165 -0.789 1.00 32.61 ? 552 THR A N 1 ATOM 1587 C CA . THR A 1 211 ? -15.276 -6.648 -2.014 1.00 32.92 ? 552 THR A CA 1 ATOM 1588 C C . THR A 1 211 ? -14.500 -6.187 -3.254 1.00 33.70 ? 552 THR A C 1 ATOM 1589 O O . THR A 1 211 ? -13.735 -5.214 -3.198 1.00 33.81 ? 552 THR A O 1 ATOM 1590 C CB . THR A 1 211 ? -16.749 -6.170 -2.129 1.00 32.73 ? 552 THR A CB 1 ATOM 1591 O OG1 . THR A 1 211 ? -16.789 -4.738 -2.108 1.00 32.95 ? 552 THR A OG1 1 ATOM 1592 C CG2 . THR A 1 211 ? -17.602 -6.725 -1.017 1.00 31.02 ? 552 THR A CG2 1 ATOM 1593 N N . ASN A 1 212 ? -14.702 -6.905 -4.365 1.00 34.54 ? 553 ASN A N 1 ATOM 1594 C CA . ASN A 1 212 ? -14.124 -6.573 -5.681 1.00 34.93 ? 553 ASN A CA 1 ATOM 1595 C C . ASN A 1 212 ? -12.599 -6.583 -5.693 1.00 35.25 ? 553 ASN A C 1 ATOM 1596 O O . ASN A 1 212 ? -11.974 -5.746 -6.354 1.00 35.27 ? 553 ASN A O 1 ATOM 1597 C CB . ASN A 1 212 ? -14.660 -5.230 -6.210 1.00 34.69 ? 553 ASN A CB 1 ATOM 1598 C CG . ASN A 1 212 ? -16.143 -5.277 -6.545 1.00 35.48 ? 553 ASN A CG 1 ATOM 1599 O OD1 . ASN A 1 212 ? -16.923 -5.997 -5.914 1.00 36.21 ? 553 ASN A OD1 1 ATOM 1600 N ND2 . ASN A 1 212 ? -16.543 -4.490 -7.537 1.00 35.55 ? 553 ASN A ND2 1 ATOM 1601 N N . GLY A 1 213 ? -12.014 -7.516 -4.942 1.00 35.61 ? 554 GLY A N 1 ATOM 1602 C CA . GLY A 1 213 ? -10.564 -7.648 -4.851 1.00 36.25 ? 554 GLY A CA 1 ATOM 1603 C C . GLY A 1 213 ? -9.779 -6.695 -3.955 1.00 36.86 ? 554 GLY A C 1 ATOM 1604 O O . GLY A 1 213 ? -8.553 -6.707 -3.981 1.00 36.72 ? 554 GLY A O 1 ATOM 1605 N N . GLU A 1 214 ? -10.460 -5.889 -3.145 1.00 37.84 ? 555 GLU A N 1 ATOM 1606 C CA . GLU A 1 214 ? -9.762 -4.958 -2.239 1.00 38.81 ? 555 GLU A CA 1 ATOM 1607 C C . GLU A 1 214 ? -9.041 -5.655 -1.066 1.00 39.24 ? 555 GLU A C 1 ATOM 1608 O O . GLU A 1 214 ? -8.111 -5.087 -0.500 1.00 38.93 ? 555 GLU A O 1 ATOM 1609 C CB . GLU A 1 214 ? -10.710 -3.876 -1.705 1.00 38.51 ? 555 GLU A CB 1 ATOM 1610 C CG . GLU A 1 214 ? -11.316 -2.971 -2.761 1.00 39.74 ? 555 GLU A CG 1 ATOM 1611 C CD . GLU A 1 214 ? -10.347 -1.917 -3.300 1.00 42.21 ? 555 GLU A CD 1 ATOM 1612 O OE1 . GLU A 1 214 ? -9.492 -1.402 -2.547 1.00 42.28 ? 555 GLU A OE1 1 ATOM 1613 O OE2 . GLU A 1 214 ? -10.454 -1.586 -4.494 1.00 44.16 ? 555 GLU A OE2 1 ATOM 1614 N N . SER A 1 215 ? -9.455 -6.880 -0.726 1.00 40.16 ? 556 SER A N 1 ATOM 1615 C CA . SER A 1 215 ? -8.909 -7.594 0.435 1.00 41.15 ? 556 SER A CA 1 ATOM 1616 C C . SER A 1 215 ? -7.800 -8.642 0.174 1.00 42.20 ? 556 SER A C 1 ATOM 1617 O O . SER A 1 215 ? -6.745 -8.611 0.829 1.00 43.28 ? 556 SER A O 1 ATOM 1618 C CB . SER A 1 215 ? -10.032 -8.209 1.277 1.00 40.88 ? 556 SER A CB 1 ATOM 1619 O OG . SER A 1 215 ? -9.499 -9.122 2.223 1.00 40.02 ? 556 SER A OG 1 ATOM 1620 N N . THR A 1 216 ? -8.036 -9.576 -0.741 1.00 42.46 ? 557 THR A N 1 ATOM 1621 C CA . THR A 1 216 ? -7.122 -10.731 -0.952 1.00 42.91 ? 557 THR A CA 1 ATOM 1622 C C . THR A 1 216 ? -7.124 -11.771 0.182 1.00 42.38 ? 557 THR A C 1 ATOM 1623 O O . THR A 1 216 ? -6.471 -12.811 0.064 1.00 42.84 ? 557 THR A O 1 ATOM 1624 C CB . THR A 1 216 ? -5.635 -10.345 -1.288 1.00 43.15 ? 557 THR A CB 1 ATOM 1625 O OG1 . THR A 1 216 ? -4.940 -9.968 -0.092 1.00 44.74 ? 557 THR A OG1 1 ATOM 1626 C CG2 . THR A 1 216 ? -5.550 -9.217 -2.317 1.00 43.95 ? 557 THR A CG2 1 ATOM 1627 N N . ALA A 1 217 ? -7.848 -11.501 1.267 1.00 41.68 ? 558 ALA A N 1 ATOM 1628 C CA . ALA A 1 217 ? -8.110 -12.523 2.280 1.00 40.65 ? 558 ALA A CA 1 ATOM 1629 C C . ALA A 1 217 ? -9.031 -13.569 1.668 1.00 40.18 ? 558 ALA A C 1 ATOM 1630 O O . ALA A 1 217 ? -9.933 -13.233 0.903 1.00 40.33 ? 558 ALA A O 1 ATOM 1631 C CB . ALA A 1 217 ? -8.739 -11.912 3.522 1.00 40.60 ? 558 ALA A CB 1 ATOM 1632 N N . ASP A 1 218 ? -8.796 -14.831 2.004 1.00 39.43 ? 559 ASP A N 1 ATOM 1633 C CA . ASP A 1 218 ? -9.448 -15.974 1.350 1.00 38.90 ? 559 ASP A CA 1 ATOM 1634 C C . ASP A 1 218 ? -10.990 -15.969 1.347 1.00 37.63 ? 559 ASP A C 1 ATOM 1635 O O . ASP A 1 218 ? -11.612 -16.409 0.366 1.00 37.41 ? 559 ASP A O 1 ATOM 1636 C CB . ASP A 1 218 ? -8.902 -17.276 1.945 1.00 39.55 ? 559 ASP A CB 1 ATOM 1637 C CG . ASP A 1 218 ? -8.451 -17.096 3.387 1.00 42.92 ? 559 ASP A CG 1 ATOM 1638 O OD1 . ASP A 1 218 ? -7.271 -16.707 3.596 1.00 46.25 ? 559 ASP A OD1 1 ATOM 1639 O OD2 . ASP A 1 218 ? -9.295 -17.273 4.301 1.00 45.07 ? 559 ASP A OD2 1 ATOM 1640 N N . TRP A 1 219 ? -11.601 -15.488 2.436 1.00 35.73 ? 560 TRP A N 1 ATOM 1641 C CA . TRP A 1 219 ? -13.066 -15.421 2.532 1.00 33.86 ? 560 TRP A CA 1 ATOM 1642 C C . TRP A 1 219 ? -13.630 -14.270 1.688 1.00 33.13 ? 560 TRP A C 1 ATOM 1643 O O . TRP A 1 219 ? -14.766 -14.328 1.257 1.00 33.31 ? 560 TRP A O 1 ATOM 1644 C CB . TRP A 1 219 ? -13.536 -15.305 4.001 1.00 32.49 ? 560 TRP A CB 1 ATOM 1645 C CG . TRP A 1 219 ? -13.026 -14.076 4.695 1.00 30.69 ? 560 TRP A CG 1 ATOM 1646 C CD1 . TRP A 1 219 ? -11.858 -13.955 5.389 1.00 29.66 ? 560 TRP A CD1 1 ATOM 1647 C CD2 . TRP A 1 219 ? -13.657 -12.789 4.748 1.00 28.69 ? 560 TRP A CD2 1 ATOM 1648 N NE1 . TRP A 1 219 ? -11.721 -12.679 5.876 1.00 29.08 ? 560 TRP A NE1 1 ATOM 1649 C CE2 . TRP A 1 219 ? -12.811 -11.941 5.500 1.00 28.82 ? 560 TRP A CE2 1 ATOM 1650 C CE3 . TRP A 1 219 ? -14.857 -12.270 4.237 1.00 27.76 ? 560 TRP A CE3 1 ATOM 1651 C CZ2 . TRP A 1 219 ? -13.123 -10.596 5.750 1.00 29.83 ? 560 TRP A CZ2 1 ATOM 1652 C CZ3 . TRP A 1 219 ? -15.167 -10.935 4.483 1.00 29.28 ? 560 TRP A CZ3 1 ATOM 1653 C CH2 . TRP A 1 219 ? -14.301 -10.113 5.237 1.00 29.49 ? 560 TRP A CH2 1 ATOM 1654 N N . ALA A 1 220 ? -12.819 -13.240 1.460 1.00 32.77 ? 561 ALA A N 1 ATOM 1655 C CA . ALA A 1 220 ? -13.242 -12.012 0.776 1.00 32.66 ? 561 ALA A CA 1 ATOM 1656 C C . ALA A 1 220 ? -12.791 -11.884 -0.695 1.00 32.69 ? 561 ALA A C 1 ATOM 1657 O O . ALA A 1 220 ? -13.366 -11.090 -1.446 1.00 32.09 ? 561 ALA A O 1 ATOM 1658 C CB . ALA A 1 220 ? -12.804 -10.786 1.582 1.00 32.33 ? 561 ALA A CB 1 ATOM 1659 N N . LYS A 1 221 ? -11.760 -12.655 -1.069 1.00 33.07 ? 562 LYS A N 1 ATOM 1660 C CA . LYS A 1 221 ? -11.236 -12.790 -2.458 1.00 33.55 ? 562 LYS A CA 1 ATOM 1661 C C . LYS A 1 221 ? -12.271 -12.647 -3.585 1.00 33.15 ? 562 LYS A C 1 ATOM 1662 O O . LYS A 1 221 ? -12.067 -11.883 -4.537 1.00 33.55 ? 562 LYS A O 1 ATOM 1663 C CB . LYS A 1 221 ? -10.600 -14.180 -2.640 1.00 33.54 ? 562 LYS A CB 1 ATOM 1664 C CG . LYS A 1 221 ? -9.135 -14.282 -2.369 1.00 34.96 ? 562 LYS A CG 1 ATOM 1665 C CD . LYS A 1 221 ? -8.575 -15.544 -3.019 1.00 38.23 ? 562 LYS A CD 1 ATOM 1666 C CE . LYS A 1 221 ? -9.252 -16.809 -2.521 1.00 39.10 ? 562 LYS A CE 1 ATOM 1667 N NZ . LYS A 1 221 ? -8.529 -18.014 -2.991 1.00 40.61 ? 562 LYS A NZ 1 ATOM 1668 N N . ASN A 1 222 ? -13.349 -13.416 -3.474 1.00 32.50 ? 563 ASN A N 1 ATOM 1669 C CA . ASN A 1 222 ? -14.362 -13.534 -4.516 1.00 32.69 ? 563 ASN A CA 1 ATOM 1670 C C . ASN A 1 222 ? -15.655 -12.756 -4.238 1.00 32.56 ? 563 ASN A C 1 ATOM 1671 O O . ASN A 1 222 ? -16.643 -12.908 -4.956 1.00 33.19 ? 563 ASN A O 1 ATOM 1672 C CB . ASN A 1 222 ? -14.694 -15.015 -4.724 1.00 33.03 ? 563 ASN A CB 1 ATOM 1673 C CG . ASN A 1 222 ? -13.614 -15.753 -5.513 1.00 34.92 ? 563 ASN A CG 1 ATOM 1674 O OD1 . ASN A 1 222 ? -13.338 -15.407 -6.665 1.00 36.25 ? 563 ASN A OD1 1 ATOM 1675 N ND2 . ASN A 1 222 ? -13.002 -16.772 -4.897 1.00 34.87 ? 563 ASN A ND2 1 ATOM 1676 N N . LEU A 1 223 ? -15.664 -11.925 -3.202 1.00 31.77 ? 564 LEU A N 1 ATOM 1677 C CA . LEU A 1 223 ? -16.852 -11.153 -2.903 1.00 30.87 ? 564 LEU A CA 1 ATOM 1678 C C . LEU A 1 223 ? -17.029 -9.978 -3.872 1.00 30.73 ? 564 LEU A C 1 ATOM 1679 O O . LEU A 1 223 ? -16.095 -9.217 -4.135 1.00 29.47 ? 564 LEU A O 1 ATOM 1680 C CB . LEU A 1 223 ? -16.840 -10.675 -1.450 1.00 30.53 ? 564 LEU A CB 1 ATOM 1681 C CG . LEU A 1 223 ? -16.775 -11.754 -0.369 1.00 29.87 ? 564 LEU A CG 1 ATOM 1682 C CD1 . LEU A 1 223 ? -16.704 -11.089 1.021 1.00 27.48 ? 564 LEU A CD1 1 ATOM 1683 C CD2 . LEU A 1 223 ? -17.943 -12.742 -0.467 1.00 27.04 ? 564 LEU A CD2 1 ATOM 1684 N N . LYS A 1 224 ? -18.248 -9.857 -4.391 1.00 30.91 ? 565 LYS A N 1 ATOM 1685 C CA . LYS A 1 224 ? -18.619 -8.810 -5.326 1.00 31.47 ? 565 LYS A CA 1 ATOM 1686 C C . LYS A 1 224 ? -19.631 -7.862 -4.665 1.00 31.27 ? 565 LYS A C 1 ATOM 1687 O O . LYS A 1 224 ? -20.607 -8.317 -4.081 1.00 31.16 ? 565 LYS A O 1 ATOM 1688 C CB . LYS A 1 224 ? -19.239 -9.459 -6.581 1.00 32.11 ? 565 LYS A CB 1 ATOM 1689 C CG . LYS A 1 224 ? -19.110 -8.656 -7.883 1.00 33.88 ? 565 LYS A CG 1 ATOM 1690 C CD . LYS A 1 224 ? -19.951 -7.371 -7.877 1.00 35.88 ? 565 LYS A CD 1 ATOM 1691 C CE . LYS A 1 224 ? -19.244 -6.233 -8.613 1.00 36.05 ? 565 LYS A CE 1 ATOM 1692 N NZ . LYS A 1 224 ? -19.970 -4.940 -8.548 1.00 36.14 ? 565 LYS A NZ 1 ATOM 1693 N N . ARG A 1 225 ? -19.406 -6.552 -4.780 1.00 31.53 ? 566 ARG A N 1 ATOM 1694 C CA . ARG A 1 225 ? -20.360 -5.521 -4.322 1.00 31.67 ? 566 ARG A CA 1 ATOM 1695 C C . ARG A 1 225 ? -21.804 -5.712 -4.777 1.00 31.50 ? 566 ARG A C 1 ATOM 1696 O O . ARG A 1 225 ? -22.741 -5.432 -4.018 1.00 31.24 ? 566 ARG A O 1 ATOM 1697 C CB . ARG A 1 225 ? -19.915 -4.147 -4.803 1.00 32.13 ? 566 ARG A CB 1 ATOM 1698 C CG . ARG A 1 225 ? -19.031 -3.429 -3.853 1.00 34.18 ? 566 ARG A CG 1 ATOM 1699 C CD . ARG A 1 225 ? -18.134 -2.461 -4.582 1.00 34.28 ? 566 ARG A CD 1 ATOM 1700 N NE . ARG A 1 225 ? -16.810 -2.515 -3.988 1.00 34.10 ? 566 ARG A NE 1 ATOM 1701 C CZ . ARG A 1 225 ? -15.707 -2.020 -4.535 1.00 34.51 ? 566 ARG A CZ 1 ATOM 1702 N NH1 . ARG A 1 225 ? -15.756 -1.421 -5.721 1.00 32.43 ? 566 ARG A NH1 1 ATOM 1703 N NH2 . ARG A 1 225 ? -14.553 -2.138 -3.882 1.00 33.36 ? 566 ARG A NH2 1 ATOM 1704 N N . GLU A 1 226 ? -21.998 -6.163 -6.013 1.00 31.39 ? 567 GLU A N 1 ATOM 1705 C CA . GLU A 1 226 ? -23.363 -6.372 -6.520 1.00 31.89 ? 567 GLU A CA 1 ATOM 1706 C C . GLU A 1 226 ? -24.141 -7.496 -5.835 1.00 30.91 ? 567 GLU A C 1 ATOM 1707 O O . GLU A 1 226 ? -25.358 -7.582 -5.985 1.00 31.56 ? 567 GLU A O 1 ATOM 1708 C CB . GLU A 1 226 ? -23.404 -6.522 -8.047 1.00 32.33 ? 567 GLU A CB 1 ATOM 1709 C CG . GLU A 1 226 ? -24.034 -5.293 -8.761 1.00 36.19 ? 567 GLU A CG 1 ATOM 1710 C CD . GLU A 1 226 ? -25.532 -5.093 -8.424 1.00 39.82 ? 567 GLU A CD 1 ATOM 1711 O OE1 . GLU A 1 226 ? -26.311 -6.079 -8.544 1.00 41.19 ? 567 GLU A OE1 1 ATOM 1712 O OE2 . GLU A 1 226 ? -25.924 -3.953 -8.043 1.00 39.60 ? 567 GLU A OE2 1 ATOM 1713 N N . ASP A 1 227 ? -23.453 -8.340 -5.073 1.00 29.43 ? 568 ASP A N 1 ATOM 1714 C CA . ASP A 1 227 ? -24.127 -9.391 -4.318 1.00 28.54 ? 568 ASP A CA 1 ATOM 1715 C C . ASP A 1 227 ? -24.644 -8.932 -2.955 1.00 27.36 ? 568 ASP A C 1 ATOM 1716 O O . ASP A 1 227 ? -25.175 -9.723 -2.198 1.00 27.13 ? 568 ASP A O 1 ATOM 1717 C CB . ASP A 1 227 ? -23.208 -10.596 -4.172 1.00 29.13 ? 568 ASP A CB 1 ATOM 1718 C CG . ASP A 1 227 ? -22.872 -11.222 -5.508 1.00 30.40 ? 568 ASP A CG 1 ATOM 1719 O OD1 . ASP A 1 227 ? -23.681 -11.104 -6.449 1.00 33.07 ? 568 ASP A OD1 1 ATOM 1720 O OD2 . ASP A 1 227 ? -21.793 -11.826 -5.622 1.00 34.35 ? 568 ASP A OD2 1 ATOM 1721 N N . PHE A 1 228 ? -24.506 -7.643 -2.673 1.00 26.61 ? 569 PHE A N 1 ATOM 1722 C CA . PHE A 1 228 ? -24.922 -7.069 -1.402 1.00 25.97 ? 569 PHE A CA 1 ATOM 1723 C C . PHE A 1 228 ? -25.929 -5.948 -1.575 1.00 25.53 ? 569 PHE A C 1 ATOM 1724 O O . PHE A 1 228 ? -25.903 -5.218 -2.567 1.00 25.39 ? 569 PHE A O 1 ATOM 1725 C CB . PHE A 1 228 ? -23.696 -6.598 -0.608 1.00 25.53 ? 569 PHE A CB 1 ATOM 1726 C CG . PHE A 1 228 ? -22.790 -7.721 -0.213 1.00 25.41 ? 569 PHE A CG 1 ATOM 1727 C CD1 . PHE A 1 228 ? -23.055 -8.477 0.931 1.00 25.41 ? 569 PHE A CD1 1 ATOM 1728 C CD2 . PHE A 1 228 ? -21.706 -8.064 -1.004 1.00 25.71 ? 569 PHE A CD2 1 ATOM 1729 C CE1 . PHE A 1 228 ? -22.232 -9.541 1.293 1.00 26.37 ? 569 PHE A CE1 1 ATOM 1730 C CE2 . PHE A 1 228 ? -20.877 -9.132 -0.659 1.00 26.89 ? 569 PHE A CE2 1 ATOM 1731 C CZ . PHE A 1 228 ? -21.136 -9.872 0.496 1.00 26.15 ? 569 PHE A CZ 1 ATOM 1732 N N . ARG A 1 229 ? -26.817 -5.825 -0.594 1.00 25.25 ? 570 ARG A N 1 ATOM 1733 C CA . ARG A 1 229 ? -27.787 -4.751 -0.548 1.00 25.04 ? 570 ARG A CA 1 ATOM 1734 C C . ARG A 1 229 ? -27.810 -4.118 0.835 1.00 24.71 ? 570 ARG A C 1 ATOM 1735 O O . ARG A 1 229 ? -27.725 -4.816 1.849 1.00 24.19 ? 570 ARG A O 1 ATOM 1736 C CB . ARG A 1 229 ? -29.185 -5.277 -0.899 1.00 25.46 ? 570 ARG A CB 1 ATOM 1737 C CG . ARG A 1 229 ? -29.361 -5.694 -2.351 1.00 27.35 ? 570 ARG A CG 1 ATOM 1738 C CD . ARG A 1 229 ? -29.430 -4.469 -3.269 1.00 32.63 ? 570 ARG A CD 1 ATOM 1739 N NE . ARG A 1 229 ? -29.577 -4.837 -4.676 1.00 35.69 ? 570 ARG A NE 1 ATOM 1740 C CZ . ARG A 1 229 ? -28.575 -4.892 -5.548 1.00 37.44 ? 570 ARG A CZ 1 ATOM 1741 N NH1 . ARG A 1 229 ? -27.333 -4.597 -5.179 1.00 38.00 ? 570 ARG A NH1 1 ATOM 1742 N NH2 . ARG A 1 229 ? -28.820 -5.234 -6.802 1.00 39.52 ? 570 ARG A NH2 1 ATOM 1743 N N . LEU A 1 230 ? -27.923 -2.788 0.857 1.00 24.22 ? 571 LEU A N 1 ATOM 1744 C CA . LEU A 1 230 ? -28.184 -2.031 2.077 1.00 23.47 ? 571 LEU A CA 1 ATOM 1745 C C . LEU A 1 230 ? -29.675 -2.012 2.407 1.00 23.59 ? 571 LEU A C 1 ATOM 1746 O O . LEU A 1 230 ? -30.520 -1.823 1.515 1.00 23.29 ? 571 LEU A O 1 ATOM 1747 C CB . LEU A 1 230 ? -27.659 -0.596 1.939 1.00 22.98 ? 571 LEU A CB 1 ATOM 1748 C CG . LEU A 1 230 ? -26.189 -0.419 1.566 1.00 22.30 ? 571 LEU A CG 1 ATOM 1749 C CD1 . LEU A 1 230 ? -25.845 1.055 1.433 1.00 20.35 ? 571 LEU A CD1 1 ATOM 1750 C CD2 . LEU A 1 230 ? -25.269 -1.114 2.569 1.00 20.37 ? 571 LEU A CD2 1 ATOM 1751 N N . LEU A 1 231 ? -29.995 -2.204 3.683 1.00 23.55 ? 572 LEU A N 1 ATOM 1752 C CA . LEU A 1 231 ? -31.374 -2.021 4.172 1.00 24.59 ? 572 LEU A CA 1 ATOM 1753 C C . LEU A 1 231 ? -31.597 -0.584 4.647 1.00 25.00 ? 572 LEU A C 1 ATOM 1754 O O . LEU A 1 231 ? -30.816 -0.071 5.471 1.00 24.95 ? 572 LEU A O 1 ATOM 1755 C CB . LEU A 1 231 ? -31.705 -3.000 5.290 1.00 24.44 ? 572 LEU A CB 1 ATOM 1756 C CG . LEU A 1 231 ? -31.497 -4.491 5.000 1.00 25.54 ? 572 LEU A CG 1 ATOM 1757 C CD1 . LEU A 1 231 ? -32.035 -5.318 6.186 1.00 25.25 ? 572 LEU A CD1 1 ATOM 1758 C CD2 . LEU A 1 231 ? -32.195 -4.900 3.684 1.00 25.85 ? 572 LEU A CD2 1 ATOM 1759 N N . CYS A 1 232 ? -32.626 0.072 4.095 1.00 25.27 ? 573 CYS A N 1 ATOM 1760 C CA . CYS A 1 232 ? -32.942 1.451 4.458 1.00 25.71 ? 573 CYS A CA 1 ATOM 1761 C C . CYS A 1 232 ? -34.110 1.449 5.406 1.00 26.16 ? 573 CYS A C 1 ATOM 1762 O O . CYS A 1 232 ? -34.875 0.477 5.464 1.00 26.42 ? 573 CYS A O 1 ATOM 1763 C CB . CYS A 1 232 ? -33.275 2.325 3.248 1.00 25.44 ? 573 CYS A CB 1 ATOM 1764 S SG . CYS A 1 232 ? -32.458 1.955 1.710 1.00 26.07 ? 573 CYS A SG 1 ATOM 1765 N N . LEU A 1 233 ? -34.258 2.538 6.148 1.00 26.90 ? 574 LEU A N 1 ATOM 1766 C CA . LEU A 1 233 ? -35.270 2.588 7.198 1.00 27.98 ? 574 LEU A CA 1 ATOM 1767 C C . LEU A 1 233 ? -36.692 2.686 6.640 1.00 28.60 ? 574 LEU A C 1 ATOM 1768 O O . LEU A 1 233 ? -37.648 2.319 7.328 1.00 29.46 ? 574 LEU A O 1 ATOM 1769 C CB . LEU A 1 233 ? -34.970 3.718 8.194 1.00 28.14 ? 574 LEU A CB 1 ATOM 1770 C CG . LEU A 1 233 ? -33.751 3.539 9.120 1.00 28.20 ? 574 LEU A CG 1 ATOM 1771 C CD1 . LEU A 1 233 ? -33.466 4.806 9.894 1.00 28.94 ? 574 LEU A CD1 1 ATOM 1772 C CD2 . LEU A 1 233 ? -33.927 2.362 10.084 1.00 29.81 ? 574 LEU A CD2 1 ATOM 1773 N N . ASP A 1 234 ? -36.832 3.122 5.387 1.00 28.99 ? 575 ASP A N 1 ATOM 1774 C CA . ASP A 1 234 ? -38.154 3.159 4.735 1.00 29.81 ? 575 ASP A CA 1 ATOM 1775 C C . ASP A 1 234 ? -38.664 1.807 4.176 1.00 30.07 ? 575 ASP A C 1 ATOM 1776 O O . ASP A 1 234 ? -39.636 1.792 3.415 1.00 30.57 ? 575 ASP A O 1 ATOM 1777 C CB . ASP A 1 234 ? -38.189 4.230 3.637 1.00 29.49 ? 575 ASP A CB 1 ATOM 1778 C CG . ASP A 1 234 ? -37.269 3.921 2.477 1.00 31.04 ? 575 ASP A CG 1 ATOM 1779 O OD1 . ASP A 1 234 ? -36.423 3.006 2.562 1.00 34.66 ? 575 ASP A OD1 1 ATOM 1780 O OD2 . ASP A 1 234 ? -37.371 4.619 1.458 1.00 34.19 ? 575 ASP A OD2 1 ATOM 1781 N N . GLY A 1 235 ? -38.014 0.694 4.532 1.00 29.79 ? 576 GLY A N 1 ATOM 1782 C CA . GLY A 1 235 ? -38.444 -0.633 4.086 1.00 29.29 ? 576 GLY A CA 1 ATOM 1783 C C . GLY A 1 235 ? -37.857 -1.053 2.749 1.00 29.43 ? 576 GLY A C 1 ATOM 1784 O O . GLY A 1 235 ? -38.148 -2.127 2.235 1.00 30.25 ? 576 GLY A O 1 ATOM 1785 N N . THR A 1 236 ? -36.998 -0.209 2.206 1.00 28.64 ? 577 THR A N 1 ATOM 1786 C CA . THR A 1 236 ? -36.446 -0.362 0.875 1.00 28.59 ? 577 THR A CA 1 ATOM 1787 C C . THR A 1 236 ? -35.041 -1.033 0.892 1.00 28.32 ? 577 THR A C 1 ATOM 1788 O O . THR A 1 236 ? -34.398 -1.115 1.943 1.00 28.23 ? 577 THR A O 1 ATOM 1789 C CB . THR A 1 236 ? -36.473 1.066 0.187 1.00 28.80 ? 577 THR A CB 1 ATOM 1790 O OG1 . THR A 1 236 ? -37.628 1.168 -0.662 1.00 29.96 ? 577 THR A OG1 1 ATOM 1791 C CG2 . THR A 1 236 ? -35.240 1.367 -0.601 1.00 27.18 ? 577 THR A CG2 1 ATOM 1792 N N . ARG A 1 237 ? -34.602 -1.531 -0.264 1.00 27.64 ? 578 ARG A N 1 ATOM 1793 C CA . ARG A 1 237 ? -33.259 -2.091 -0.451 1.00 27.71 ? 578 ARG A CA 1 ATOM 1794 C C . ARG A 1 237 ? -32.560 -1.339 -1.566 1.00 27.70 ? 578 ARG A C 1 ATOM 1795 O O . ARG A 1 237 ? -33.146 -1.117 -2.618 1.00 28.03 ? 578 ARG A O 1 ATOM 1796 C CB . ARG A 1 237 ? -33.309 -3.572 -0.862 1.00 27.29 ? 578 ARG A CB 1 ATOM 1797 C CG . ARG A 1 237 ? -33.806 -4.521 0.182 1.00 26.52 ? 578 ARG A CG 1 ATOM 1798 C CD . ARG A 1 237 ? -34.403 -5.730 -0.484 1.00 27.48 ? 578 ARG A CD 1 ATOM 1799 N NE . ARG A 1 237 ? -33.415 -6.551 -1.186 1.00 27.95 ? 578 ARG A NE 1 ATOM 1800 C CZ . ARG A 1 237 ? -32.874 -7.673 -0.706 1.00 26.99 ? 578 ARG A CZ 1 ATOM 1801 N NH1 . ARG A 1 237 ? -33.207 -8.111 0.500 1.00 25.69 ? 578 ARG A NH1 1 ATOM 1802 N NH2 . ARG A 1 237 ? -32.007 -8.364 -1.444 1.00 25.96 ? 578 ARG A NH2 1 ATOM 1803 N N . LYS A 1 238 ? -31.294 -0.996 -1.352 1.00 27.98 ? 579 LYS A N 1 ATOM 1804 C CA . LYS A 1 238 ? -30.515 -0.258 -2.331 1.00 28.15 ? 579 LYS A CA 1 ATOM 1805 C C . LYS A 1 238 ? -29.127 -0.855 -2.534 1.00 28.35 ? 579 LYS A C 1 ATOM 1806 O O . LYS A 1 238 ? -28.598 -1.502 -1.629 1.00 28.08 ? 579 LYS A O 1 ATOM 1807 C CB . LYS A 1 238 ? -30.403 1.212 -1.907 1.00 27.97 ? 579 LYS A CB 1 ATOM 1808 C CG . LYS A 1 238 ? -31.648 2.008 -2.249 1.00 28.69 ? 579 LYS A CG 1 ATOM 1809 C CD . LYS A 1 238 ? -31.566 3.466 -1.819 1.00 29.22 ? 579 LYS A CD 1 ATOM 1810 C CE . LYS A 1 238 ? -32.692 4.273 -2.462 1.00 29.78 ? 579 LYS A CE 1 ATOM 1811 N NZ . LYS A 1 238 ? -34.027 3.740 -2.059 1.00 30.68 ? 579 LYS A NZ 1 ATOM 1812 N N . PRO A 1 239 ? -28.538 -0.659 -3.739 1.00 28.43 ? 580 PRO A N 1 ATOM 1813 C CA . PRO A 1 239 ? -27.109 -0.939 -3.919 1.00 28.53 ? 580 PRO A CA 1 ATOM 1814 C C . PRO A 1 239 ? -26.217 -0.187 -2.928 1.00 28.79 ? 580 PRO A C 1 ATOM 1815 O O . PRO A 1 239 ? -26.603 0.852 -2.379 1.00 28.56 ? 580 PRO A O 1 ATOM 1816 C CB . PRO A 1 239 ? -26.827 -0.463 -5.352 1.00 28.16 ? 580 PRO A CB 1 ATOM 1817 C CG . PRO A 1 239 ? -28.177 -0.620 -6.052 1.00 28.93 ? 580 PRO A CG 1 ATOM 1818 C CD . PRO A 1 239 ? -29.183 -0.234 -5.001 1.00 28.11 ? 580 PRO A CD 1 ATOM 1819 N N . VAL A 1 240 ? -25.021 -0.721 -2.732 1.00 29.12 ? 581 VAL A N 1 ATOM 1820 C CA . VAL A 1 240 ? -24.100 -0.234 -1.724 1.00 29.78 ? 581 VAL A CA 1 ATOM 1821 C C . VAL A 1 240 ? -23.503 1.097 -2.133 1.00 29.84 ? 581 VAL A C 1 ATOM 1822 O O . VAL A 1 240 ? -22.921 1.793 -1.318 1.00 29.90 ? 581 VAL A O 1 ATOM 1823 C CB . VAL A 1 240 ? -23.015 -1.306 -1.376 1.00 30.11 ? 581 VAL A CB 1 ATOM 1824 C CG1 . VAL A 1 240 ? -23.700 -2.612 -0.936 1.00 29.90 ? 581 VAL A CG1 1 ATOM 1825 C CG2 . VAL A 1 240 ? -22.069 -1.574 -2.552 1.00 29.62 ? 581 VAL A CG2 1 ATOM 1826 N N . THR A 1 241 ? -23.696 1.453 -3.404 1.00 30.11 ? 582 THR A N 1 ATOM 1827 C CA . THR A 1 241 ? -23.356 2.779 -3.951 1.00 29.74 ? 582 THR A CA 1 ATOM 1828 C C . THR A 1 241 ? -24.263 3.896 -3.433 1.00 29.62 ? 582 THR A C 1 ATOM 1829 O O . THR A 1 241 ? -23.974 5.075 -3.625 1.00 29.85 ? 582 THR A O 1 ATOM 1830 C CB . THR A 1 241 ? -23.530 2.774 -5.480 1.00 29.67 ? 582 THR A CB 1 ATOM 1831 O OG1 . THR A 1 241 ? -24.803 2.202 -5.790 1.00 30.31 ? 582 THR A OG1 1 ATOM 1832 C CG2 . THR A 1 241 ? -22.446 1.961 -6.151 1.00 29.32 ? 582 THR A CG2 1 ATOM 1833 N N . GLU A 1 242 ? -25.372 3.522 -2.804 1.00 29.33 ? 583 GLU A N 1 ATOM 1834 C CA . GLU A 1 242 ? -26.400 4.471 -2.387 1.00 29.42 ? 583 GLU A CA 1 ATOM 1835 C C . GLU A 1 242 ? -26.463 4.733 -0.875 1.00 28.27 ? 583 GLU A C 1 ATOM 1836 O O . GLU A 1 242 ? -27.521 5.086 -0.358 1.00 27.72 ? 583 GLU A O 1 ATOM 1837 C CB . GLU A 1 242 ? -27.771 4.017 -2.922 1.00 30.11 ? 583 GLU A CB 1 ATOM 1838 C CG . GLU A 1 242 ? -28.346 4.935 -4.004 1.00 34.88 ? 583 GLU A CG 1 ATOM 1839 C CD . GLU A 1 242 ? -27.681 4.775 -5.353 1.00 39.78 ? 583 GLU A CD 1 ATOM 1840 O OE1 . GLU A 1 242 ? -26.442 4.692 -5.435 1.00 41.76 ? 583 GLU A OE1 1 ATOM 1841 O OE2 . GLU A 1 242 ? -28.413 4.737 -6.363 1.00 46.25 ? 583 GLU A OE2 1 ATOM 1842 N N . ALA A 1 243 ? -25.326 4.593 -0.188 1.00 27.30 ? 584 ALA A N 1 ATOM 1843 C CA . ALA A 1 243 ? -25.268 4.695 1.274 1.00 27.09 ? 584 ALA A CA 1 ATOM 1844 C C . ALA A 1 243 ? -25.574 6.094 1.817 1.00 26.96 ? 584 ALA A C 1 ATOM 1845 O O . ALA A 1 243 ? -26.005 6.242 2.956 1.00 25.84 ? 584 ALA A O 1 ATOM 1846 C CB . ALA A 1 243 ? -23.919 4.201 1.794 1.00 26.75 ? 584 ALA A CB 1 ATOM 1847 N N . GLN A 1 244 ? -25.356 7.111 0.987 1.00 27.74 ? 585 GLN A N 1 ATOM 1848 C CA . GLN A 1 244 ? -25.675 8.494 1.347 1.00 29.06 ? 585 GLN A CA 1 ATOM 1849 C C . GLN A 1 244 ? -27.185 8.652 1.542 1.00 28.64 ? 585 GLN A C 1 ATOM 1850 O O . GLN A 1 244 ? -27.629 9.507 2.299 1.00 28.86 ? 585 GLN A O 1 ATOM 1851 C CB . GLN A 1 244 ? -25.130 9.454 0.272 1.00 29.41 ? 585 GLN A CB 1 ATOM 1852 C CG . GLN A 1 244 ? -24.705 10.871 0.736 1.00 34.12 ? 585 GLN A CG 1 ATOM 1853 C CD . GLN A 1 244 ? -23.911 10.911 2.064 1.00 38.32 ? 585 GLN A CD 1 ATOM 1854 O OE1 . GLN A 1 244 ? -24.462 11.271 3.112 1.00 38.61 ? 585 GLN A OE1 1 ATOM 1855 N NE2 . GLN A 1 244 ? -22.616 10.559 2.011 1.00 39.83 ? 585 GLN A NE2 1 ATOM 1856 N N . SER A 1 245 ? -27.979 7.819 0.869 1.00 28.68 ? 586 SER A N 1 ATOM 1857 C CA . SER A 1 245 ? -29.441 7.894 1.004 1.00 28.94 ? 586 SER A CA 1 ATOM 1858 C C . SER A 1 245 ? -30.064 6.704 1.727 1.00 28.26 ? 586 SER A C 1 ATOM 1859 O O . SER A 1 245 ? -31.266 6.673 1.946 1.00 28.91 ? 586 SER A O 1 ATOM 1860 C CB . SER A 1 245 ? -30.120 8.116 -0.361 1.00 29.24 ? 586 SER A CB 1 ATOM 1861 O OG . SER A 1 245 ? -29.653 7.193 -1.347 1.00 30.94 ? 586 SER A OG 1 ATOM 1862 N N . CYS A 1 246 ? -29.239 5.735 2.118 1.00 27.63 ? 587 CYS A N 1 ATOM 1863 C CA . CYS A 1 246 ? -29.718 4.496 2.721 1.00 26.46 ? 587 CYS A CA 1 ATOM 1864 C C . CYS A 1 246 ? -28.767 4.031 3.857 1.00 25.93 ? 587 CYS A C 1 ATOM 1865 O O . CYS A 1 246 ? -28.096 2.993 3.774 1.00 25.67 ? 587 CYS A O 1 ATOM 1866 C CB . CYS A 1 246 ? -29.857 3.459 1.613 1.00 26.51 ? 587 CYS A CB 1 ATOM 1867 S SG . CYS A 1 246 ? -30.463 1.899 2.127 1.00 26.71 ? 587 CYS A SG 1 ATOM 1868 N N . HIS A 1 247 ? -28.699 4.843 4.907 1.00 25.04 ? 588 HIS A N 1 ATOM 1869 C CA . HIS A 1 247 ? -27.931 4.530 6.098 1.00 24.26 ? 588 HIS A CA 1 ATOM 1870 C C . HIS A 1 247 ? -28.828 4.658 7.336 1.00 24.06 ? 588 HIS A C 1 ATOM 1871 O O . HIS A 1 247 ? -29.924 5.259 7.280 1.00 23.00 ? 588 HIS A O 1 ATOM 1872 C CB . HIS A 1 247 ? -26.709 5.449 6.214 1.00 24.30 ? 588 HIS A CB 1 ATOM 1873 C CG . HIS A 1 247 ? -27.046 6.909 6.160 1.00 24.53 ? 588 HIS A CG 1 ATOM 1874 N ND1 . HIS A 1 247 ? -26.935 7.657 5.007 1.00 23.98 ? 588 HIS A ND1 1 ATOM 1875 C CD2 . HIS A 1 247 ? -27.513 7.753 7.111 1.00 24.52 ? 588 HIS A CD2 1 ATOM 1876 C CE1 . HIS A 1 247 ? -27.304 8.899 5.254 1.00 24.91 ? 588 HIS A CE1 1 ATOM 1877 N NE2 . HIS A 1 247 ? -27.671 8.982 6.518 1.00 25.23 ? 588 HIS A NE2 1 ATOM 1878 N N . LEU A 1 248 ? -28.376 4.060 8.443 1.00 23.05 ? 589 LEU A N 1 ATOM 1879 C CA . LEU A 1 248 ? -29.102 4.153 9.693 1.00 22.24 ? 589 LEU A CA 1 ATOM 1880 C C . LEU A 1 248 ? -28.719 5.411 10.475 1.00 22.14 ? 589 LEU A C 1 ATOM 1881 O O . LEU A 1 248 ? -29.505 5.893 11.275 1.00 22.43 ? 589 LEU A O 1 ATOM 1882 C CB . LEU A 1 248 ? -28.879 2.908 10.548 1.00 22.49 ? 589 LEU A CB 1 ATOM 1883 C CG . LEU A 1 248 ? -29.073 1.532 9.910 1.00 22.09 ? 589 LEU A CG 1 ATOM 1884 C CD1 . LEU A 1 248 ? -28.838 0.408 10.934 1.00 19.23 ? 589 LEU A CD1 1 ATOM 1885 C CD2 . LEU A 1 248 ? -30.444 1.418 9.261 1.00 20.38 ? 589 LEU A CD2 1 ATOM 1886 N N . ALA A 1 249 ? -27.511 5.922 10.268 1.00 21.72 ? 590 ALA A N 1 ATOM 1887 C CA . ALA A 1 249 ? -27.044 7.134 10.956 1.00 21.73 ? 590 ALA A CA 1 ATOM 1888 C C . ALA A 1 249 ? -25.669 7.502 10.456 1.00 21.90 ? 590 ALA A C 1 ATOM 1889 O O . ALA A 1 249 ? -25.022 6.715 9.763 1.00 21.33 ? 590 ALA A O 1 ATOM 1890 C CB . ALA A 1 249 ? -26.995 6.921 12.475 1.00 21.91 ? 590 ALA A CB 1 ATOM 1891 N N . VAL A 1 250 ? -25.227 8.704 10.810 1.00 22.39 ? 591 VAL A N 1 ATOM 1892 C CA . VAL A 1 250 ? -23.836 9.063 10.662 1.00 22.89 ? 591 VAL A CA 1 ATOM 1893 C C . VAL A 1 250 ? -23.147 9.038 12.033 1.00 22.93 ? 591 VAL A C 1 ATOM 1894 O O . VAL A 1 250 ? -23.611 9.635 12.998 1.00 22.75 ? 591 VAL A O 1 ATOM 1895 C CB . VAL A 1 250 ? -23.602 10.372 9.816 1.00 23.73 ? 591 VAL A CB 1 ATOM 1896 C CG1 . VAL A 1 250 ? -24.848 11.227 9.740 1.00 24.75 ? 591 VAL A CG1 1 ATOM 1897 C CG2 . VAL A 1 250 ? -22.367 11.160 10.290 1.00 23.77 ? 591 VAL A CG2 1 ATOM 1898 N N . ALA A 1 251 ? -22.051 8.299 12.098 1.00 22.77 ? 592 ALA A N 1 ATOM 1899 C CA . ALA A 1 251 ? -21.342 8.031 13.342 1.00 22.64 ? 592 ALA A CA 1 ATOM 1900 C C . ALA A 1 251 ? -20.121 8.929 13.514 1.00 22.16 ? 592 ALA A C 1 ATOM 1901 O O . ALA A 1 251 ? -19.375 9.144 12.568 1.00 21.63 ? 592 ALA A O 1 ATOM 1902 C CB . ALA A 1 251 ? -20.916 6.574 13.372 1.00 22.65 ? 592 ALA A CB 1 ATOM 1903 N N . PRO A 1 252 ? -19.900 9.441 14.737 1.00 22.45 ? 593 PRO A N 1 ATOM 1904 C CA . PRO A 1 252 ? -18.642 10.158 14.996 1.00 21.86 ? 593 PRO A CA 1 ATOM 1905 C C . PRO A 1 252 ? -17.435 9.219 14.861 1.00 22.18 ? 593 PRO A C 1 ATOM 1906 O O . PRO A 1 252 ? -17.463 8.057 15.325 1.00 21.47 ? 593 PRO A O 1 ATOM 1907 C CB . PRO A 1 252 ? -18.794 10.654 16.434 1.00 21.69 ? 593 PRO A CB 1 ATOM 1908 C CG . PRO A 1 252 ? -19.829 9.768 17.047 1.00 22.88 ? 593 PRO A CG 1 ATOM 1909 C CD . PRO A 1 252 ? -20.766 9.366 15.931 1.00 22.17 ? 593 PRO A CD 1 ATOM 1910 N N . ASN A 1 253 ? -16.394 9.712 14.203 1.00 21.80 ? 594 ASN A N 1 ATOM 1911 C CA . ASN A 1 253 ? -15.182 8.927 13.998 1.00 22.10 ? 594 ASN A CA 1 ATOM 1912 C C . ASN A 1 253 ? -14.577 8.370 15.287 1.00 21.35 ? 594 ASN A C 1 ATOM 1913 O O . ASN A 1 253 ? -14.769 8.948 16.377 1.00 21.23 ? 594 ASN A O 1 ATOM 1914 C CB . ASN A 1 253 ? -14.127 9.742 13.248 1.00 22.04 ? 594 ASN A CB 1 ATOM 1915 C CG . ASN A 1 253 ? -14.524 10.033 11.808 1.00 25.31 ? 594 ASN A CG 1 ATOM 1916 O OD1 . ASN A 1 253 ? -15.526 9.527 11.312 1.00 27.42 ? 594 ASN A OD1 1 ATOM 1917 N ND2 . ASN A 1 253 ? -13.719 10.838 11.125 1.00 27.19 ? 594 ASN A ND2 1 ATOM 1918 N N . HIS A 1 254 ? -13.861 7.249 15.145 1.00 19.79 ? 595 HIS A N 1 ATOM 1919 C CA . HIS A 1 254 ? -13.040 6.720 16.220 1.00 19.31 ? 595 HIS A CA 1 ATOM 1920 C C . HIS A 1 254 ? -12.001 7.754 16.624 1.00 19.04 ? 595 HIS A C 1 ATOM 1921 O O . HIS A 1 254 ? -11.446 8.479 15.786 1.00 20.32 ? 595 HIS A O 1 ATOM 1922 C CB . HIS A 1 254 ? -12.378 5.382 15.838 1.00 18.86 ? 595 HIS A CB 1 ATOM 1923 C CG . HIS A 1 254 ? -13.356 4.259 15.657 1.00 17.46 ? 595 HIS A CG 1 ATOM 1924 N ND1 . HIS A 1 254 ? -12.973 2.939 15.598 1.00 19.32 ? 595 HIS A ND1 1 ATOM 1925 C CD2 . HIS A 1 254 ? -14.701 4.263 15.512 1.00 15.67 ? 595 HIS A CD2 1 ATOM 1926 C CE1 . HIS A 1 254 ? -14.037 2.173 15.440 1.00 16.06 ? 595 HIS A CE1 1 ATOM 1927 N NE2 . HIS A 1 254 ? -15.098 2.954 15.372 1.00 16.55 ? 595 HIS A NE2 1 ATOM 1928 N N . ALA A 1 255 ? -11.760 7.843 17.917 1.00 18.15 ? 596 ALA A N 1 ATOM 1929 C CA . ALA A 1 255 ? -10.835 8.832 18.429 1.00 17.73 ? 596 ALA A CA 1 ATOM 1930 C C . ALA A 1 255 ? -9.969 8.285 19.574 1.00 17.31 ? 596 ALA A C 1 ATOM 1931 O O . ALA A 1 255 ? -10.365 7.358 20.297 1.00 16.73 ? 596 ALA A O 1 ATOM 1932 C CB . ALA A 1 255 ? -11.602 10.083 18.848 1.00 17.17 ? 596 ALA A CB 1 ATOM 1933 N N . VAL A 1 256 ? -8.772 8.851 19.690 1.00 17.57 ? 597 VAL A N 1 ATOM 1934 C CA . VAL A 1 256 ? -7.836 8.602 20.782 1.00 17.97 ? 597 VAL A CA 1 ATOM 1935 C C . VAL A 1 256 ? -8.338 9.284 22.059 1.00 18.29 ? 597 VAL A C 1 ATOM 1936 O O . VAL A 1 256 ? -8.646 10.486 22.060 1.00 18.38 ? 597 VAL A O 1 ATOM 1937 C CB . VAL A 1 256 ? -6.443 9.136 20.416 1.00 18.10 ? 597 VAL A CB 1 ATOM 1938 C CG1 . VAL A 1 256 ? -5.433 8.976 21.587 1.00 18.21 ? 597 VAL A CG1 1 ATOM 1939 C CG2 . VAL A 1 256 ? -5.945 8.463 19.147 1.00 18.52 ? 597 VAL A CG2 1 ATOM 1940 N N . VAL A 1 257 ? -8.459 8.507 23.133 1.00 17.81 ? 598 VAL A N 1 ATOM 1941 C CA . VAL A 1 257 ? -8.823 9.064 24.431 1.00 18.15 ? 598 VAL A CA 1 ATOM 1942 C C . VAL A 1 257 ? -7.698 8.917 25.456 1.00 18.59 ? 598 VAL A C 1 ATOM 1943 O O . VAL A 1 257 ? -6.864 8.025 25.364 1.00 18.28 ? 598 VAL A O 1 ATOM 1944 C CB . VAL A 1 257 ? -10.138 8.452 25.031 1.00 18.34 ? 598 VAL A CB 1 ATOM 1945 C CG1 . VAL A 1 257 ? -11.333 8.614 24.065 1.00 17.34 ? 598 VAL A CG1 1 ATOM 1946 C CG2 . VAL A 1 257 ? -9.909 7.007 25.441 1.00 18.63 ? 598 VAL A CG2 1 ATOM 1947 N N . SER A 1 258 ? -7.694 9.809 26.431 1.00 19.22 ? 599 SER A N 1 ATOM 1948 C CA . SER A 1 258 ? -6.769 9.710 27.535 1.00 21.02 ? 599 SER A CA 1 ATOM 1949 C C . SER A 1 258 ? -7.375 10.382 28.756 1.00 21.43 ? 599 SER A C 1 ATOM 1950 O O . SER A 1 258 ? -8.467 10.990 28.685 1.00 22.11 ? 599 SER A O 1 ATOM 1951 C CB . SER A 1 258 ? -5.404 10.324 27.177 1.00 20.54 ? 599 SER A CB 1 ATOM 1952 O OG . SER A 1 258 ? -5.485 11.727 27.147 1.00 22.41 ? 599 SER A OG 1 ATOM 1953 N N . ARG A 1 259 ? -6.701 10.218 29.885 1.00 21.62 ? 600 ARG A N 1 ATOM 1954 C CA . ARG A 1 259 ? -7.029 10.973 31.080 1.00 22.11 ? 600 ARG A CA 1 ATOM 1955 C C . ARG A 1 259 ? -6.727 12.436 30.810 1.00 21.98 ? 600 ARG A C 1 ATOM 1956 O O . ARG A 1 259 ? -5.700 12.766 30.227 1.00 20.54 ? 600 ARG A O 1 ATOM 1957 C CB . ARG A 1 259 ? -6.253 10.437 32.285 1.00 21.71 ? 600 ARG A CB 1 ATOM 1958 C CG . ARG A 1 259 ? -7.148 9.655 33.241 1.00 22.90 ? 600 ARG A CG 1 ATOM 1959 C CD . ARG A 1 259 ? -6.430 9.017 34.416 1.00 23.19 ? 600 ARG A CD 1 ATOM 1960 N NE . ARG A 1 259 ? -5.443 9.888 35.063 1.00 22.97 ? 600 ARG A NE 1 ATOM 1961 C CZ . ARG A 1 259 ? -4.776 9.545 36.157 1.00 22.25 ? 600 ARG A CZ 1 ATOM 1962 N NH1 . ARG A 1 259 ? -5.004 8.354 36.717 1.00 20.58 ? 600 ARG A NH1 1 ATOM 1963 N NH2 . ARG A 1 259 ? -3.904 10.388 36.697 1.00 18.69 ? 600 ARG A NH2 1 ATOM 1964 N N . SER A 1 260 ? -7.664 13.297 31.189 1.00 23.28 ? 601 SER A N 1 ATOM 1965 C CA . SER A 1 260 ? -7.532 14.735 30.972 1.00 25.05 ? 601 SER A CA 1 ATOM 1966 C C . SER A 1 260 ? -6.147 15.279 31.314 1.00 24.94 ? 601 SER A C 1 ATOM 1967 O O . SER A 1 260 ? -5.563 16.071 30.557 1.00 25.89 ? 601 SER A O 1 ATOM 1968 C CB . SER A 1 260 ? -8.560 15.493 31.809 1.00 25.58 ? 601 SER A CB 1 ATOM 1969 O OG . SER A 1 260 ? -8.184 16.860 31.805 1.00 28.68 ? 601 SER A OG 1 ATOM 1970 N N . ASP A 1 261 ? -5.623 14.839 32.453 1.00 24.58 ? 602 ASP A N 1 ATOM 1971 C CA . ASP A 1 261 ? -4.301 15.265 32.931 1.00 24.29 ? 602 ASP A CA 1 ATOM 1972 C C . ASP A 1 261 ? -3.113 14.816 32.046 1.00 23.40 ? 602 ASP A C 1 ATOM 1973 O O . ASP A 1 261 ? -2.000 15.338 32.185 1.00 23.64 ? 602 ASP A O 1 ATOM 1974 C CB . ASP A 1 261 ? -4.111 14.919 34.424 1.00 24.75 ? 602 ASP A CB 1 ATOM 1975 C CG . ASP A 1 261 ? -4.284 13.410 34.738 1.00 27.80 ? 602 ASP A CG 1 ATOM 1976 O OD1 . ASP A 1 261 ? -5.263 12.779 34.303 1.00 29.89 ? 602 ASP A OD1 1 ATOM 1977 O OD2 . ASP A 1 261 ? -3.434 12.850 35.458 1.00 31.14 ? 602 ASP A OD2 1 ATOM 1978 N N . ARG A 1 262 ? -3.363 13.905 31.108 0.50 21.81 ? 603 ARG A N 1 ATOM 1979 C CA . ARG A 1 262 ? -2.327 13.407 30.208 0.50 20.74 ? 603 ARG A CA 1 ATOM 1980 C C . ARG A 1 262 ? -2.501 13.828 28.740 0.50 20.31 ? 603 ARG A C 1 ATOM 1981 O O . ARG A 1 262 ? -1.630 13.561 27.923 0.50 18.98 ? 603 ARG A O 1 ATOM 1982 C CB . ARG A 1 262 ? -2.278 11.876 30.290 0.50 21.00 ? 603 ARG A CB 1 ATOM 1983 C CG . ARG A 1 262 ? -1.832 11.317 31.628 0.50 20.47 ? 603 ARG A CG 1 ATOM 1984 C CD . ARG A 1 262 ? -0.326 11.459 31.810 0.50 20.81 ? 603 ARG A CD 1 ATOM 1985 N NE . ARG A 1 262 ? 0.447 10.619 30.891 0.50 21.06 ? 603 ARG A NE 1 ATOM 1986 C CZ . ARG A 1 262 ? 1.670 10.907 30.443 0.50 22.11 ? 603 ARG A CZ 1 ATOM 1987 N NH1 . ARG A 1 262 ? 2.284 12.025 30.820 0.50 22.79 ? 603 ARG A NH1 1 ATOM 1988 N NH2 . ARG A 1 262 ? 2.285 10.081 29.604 0.50 21.26 ? 603 ARG A NH2 1 ATOM 1989 N N . ALA A 1 263 ? -3.630 14.478 28.425 1.00 21.10 ? 604 ALA A N 1 ATOM 1990 C CA . ALA A 1 263 ? -4.067 14.775 27.048 1.00 21.07 ? 604 ALA A CA 1 ATOM 1991 C C . ALA A 1 263 ? -3.024 15.497 26.208 1.00 21.63 ? 604 ALA A C 1 ATOM 1992 O O . ALA A 1 263 ? -2.772 15.108 25.069 1.00 20.44 ? 604 ALA A O 1 ATOM 1993 C CB . ALA A 1 263 ? -5.362 15.564 27.058 1.00 21.47 ? 604 ALA A CB 1 ATOM 1994 N N . ALA A 1 264 ? -2.415 16.529 26.800 1.00 22.71 ? 605 ALA A N 1 ATOM 1995 C CA . ALA A 1 264 ? -1.479 17.415 26.122 1.00 24.07 ? 605 ALA A CA 1 ATOM 1996 C C . ALA A 1 264 ? -0.252 16.671 25.706 1.00 25.10 ? 605 ALA A C 1 ATOM 1997 O O . ALA A 1 264 ? 0.303 16.904 24.635 1.00 25.20 ? 605 ALA A O 1 ATOM 1998 C CB . ALA A 1 264 ? -1.080 18.592 27.048 1.00 24.01 ? 605 ALA A CB 1 ATOM 1999 N N . HIS A 1 265 ? 0.174 15.766 26.579 1.00 26.75 ? 606 HIS A N 1 ATOM 2000 C CA . HIS A 1 265 ? 1.394 15.021 26.373 1.00 28.03 ? 606 HIS A CA 1 ATOM 2001 C C . HIS A 1 265 ? 1.175 13.892 25.361 1.00 27.90 ? 606 HIS A C 1 ATOM 2002 O O . HIS A 1 265 ? 2.024 13.620 24.514 1.00 27.91 ? 606 HIS A O 1 ATOM 2003 C CB . HIS A 1 265 ? 1.890 14.485 27.718 1.00 28.90 ? 606 HIS A CB 1 ATOM 2004 C CG . HIS A 1 265 ? 3.236 13.850 27.636 1.00 33.36 ? 606 HIS A CG 1 ATOM 2005 N ND1 . HIS A 1 265 ? 3.413 12.479 27.647 1.00 36.18 ? 606 HIS A ND1 1 ATOM 2006 C CD2 . HIS A 1 265 ? 4.470 14.395 27.479 1.00 37.17 ? 606 HIS A CD2 1 ATOM 2007 C CE1 . HIS A 1 265 ? 4.702 12.209 27.527 1.00 38.53 ? 606 HIS A CE1 1 ATOM 2008 N NE2 . HIS A 1 265 ? 5.365 13.353 27.424 1.00 39.94 ? 606 HIS A NE2 1 ATOM 2009 N N . VAL A 1 266 ? 0.028 13.233 25.463 1.00 28.15 ? 607 VAL A N 1 ATOM 2010 C CA . VAL A 1 266 ? -0.366 12.191 24.503 1.00 28.13 ? 607 VAL A CA 1 ATOM 2011 C C . VAL A 1 266 ? -0.458 12.793 23.090 1.00 28.42 ? 607 VAL A C 1 ATOM 2012 O O . VAL A 1 266 ? 0.082 12.239 22.140 1.00 27.90 ? 607 VAL A O 1 ATOM 2013 C CB . VAL A 1 266 ? -1.692 11.501 24.939 1.00 27.66 ? 607 VAL A CB 1 ATOM 2014 C CG1 . VAL A 1 266 ? -2.213 10.577 23.850 1.00 27.87 ? 607 VAL A CG1 1 ATOM 2015 C CG2 . VAL A 1 266 ? -1.490 10.735 26.253 1.00 25.88 ? 607 VAL A CG2 1 ATOM 2016 N N . GLU A 1 267 ? -1.104 13.953 22.981 1.00 29.29 ? 608 GLU A N 1 ATOM 2017 C CA . GLU A 1 267 ? -1.229 14.670 21.715 1.00 30.13 ? 608 GLU A CA 1 ATOM 2018 C C . GLU A 1 267 ? 0.118 14.946 21.045 1.00 30.48 ? 608 GLU A C 1 ATOM 2019 O O . GLU A 1 267 ? 0.311 14.593 19.885 1.00 30.45 ? 608 GLU A O 1 ATOM 2020 C CB . GLU A 1 267 ? -2.017 15.953 21.922 1.00 30.51 ? 608 GLU A CB 1 ATOM 2021 C CG . GLU A 1 267 ? -2.382 16.691 20.657 1.00 33.44 ? 608 GLU A CG 1 ATOM 2022 C CD . GLU A 1 267 ? -3.270 17.897 20.929 1.00 39.26 ? 608 GLU A CD 1 ATOM 2023 O OE1 . GLU A 1 267 ? -4.147 17.823 21.826 1.00 42.00 ? 608 GLU A OE1 1 ATOM 2024 O OE2 . GLU A 1 267 ? -3.110 18.925 20.234 1.00 42.50 ? 608 GLU A OE2 1 ATOM 2025 N N . GLN A 1 268 ? 1.044 15.563 21.784 1.00 30.99 ? 609 GLN A N 1 ATOM 2026 C CA . GLN A 1 268 ? 2.379 15.896 21.289 1.00 31.91 ? 609 GLN A CA 1 ATOM 2027 C C . GLN A 1 268 ? 3.163 14.675 20.759 1.00 30.89 ? 609 GLN A C 1 ATOM 2028 O O . GLN A 1 268 ? 3.765 14.721 19.675 1.00 30.81 ? 609 GLN A O 1 ATOM 2029 C CB . GLN A 1 268 ? 3.151 16.632 22.391 1.00 31.82 ? 609 GLN A CB 1 ATOM 2030 C CG . GLN A 1 268 ? 4.667 16.558 22.308 1.00 34.88 ? 609 GLN A CG 1 ATOM 2031 C CD . GLN A 1 268 ? 5.357 17.053 23.595 1.00 35.89 ? 609 GLN A CD 1 ATOM 2032 O OE1 . GLN A 1 268 ? 5.061 18.154 24.102 1.00 41.06 ? 609 GLN A OE1 1 ATOM 2033 N NE2 . GLN A 1 268 ? 6.277 16.241 24.123 1.00 38.83 ? 609 GLN A NE2 1 ATOM 2034 N N . VAL A 1 269 ? 3.149 13.582 21.517 1.00 29.92 ? 610 VAL A N 1 ATOM 2035 C CA . VAL A 1 269 ? 3.836 12.376 21.090 1.00 28.68 ? 610 VAL A CA 1 ATOM 2036 C C . VAL A 1 269 ? 3.199 11.801 19.819 1.00 28.20 ? 610 VAL A C 1 ATOM 2037 O O . VAL A 1 269 ? 3.903 11.433 18.880 1.00 28.27 ? 610 VAL A O 1 ATOM 2038 C CB . VAL A 1 269 ? 3.897 11.337 22.233 1.00 29.00 ? 610 VAL A CB 1 ATOM 2039 C CG1 . VAL A 1 269 ? 4.397 9.977 21.724 1.00 28.41 ? 610 VAL A CG1 1 ATOM 2040 C CG2 . VAL A 1 269 ? 4.775 11.867 23.379 1.00 27.53 ? 610 VAL A CG2 1 ATOM 2041 N N . LEU A 1 270 ? 1.873 11.764 19.781 1.00 27.39 ? 611 LEU A N 1 ATOM 2042 C CA . LEU A 1 270 ? 1.153 11.143 18.671 1.00 27.76 ? 611 LEU A CA 1 ATOM 2043 C C . LEU A 1 270 ? 1.313 11.840 17.338 1.00 27.68 ? 611 LEU A C 1 ATOM 2044 O O . LEU A 1 270 ? 1.449 11.163 16.315 1.00 27.17 ? 611 LEU A O 1 ATOM 2045 C CB . LEU A 1 270 ? -0.330 11.025 18.984 1.00 28.43 ? 611 LEU A CB 1 ATOM 2046 C CG . LEU A 1 270 ? -0.823 9.623 19.290 1.00 28.75 ? 611 LEU A CG 1 ATOM 2047 C CD1 . LEU A 1 270 ? 0.074 8.992 20.320 1.00 29.59 ? 611 LEU A CD1 1 ATOM 2048 C CD2 . LEU A 1 270 ? -2.250 9.763 19.785 1.00 29.85 ? 611 LEU A CD2 1 ATOM 2049 N N . LEU A 1 271 ? 1.266 13.177 17.364 1.00 27.53 ? 612 LEU A N 1 ATOM 2050 C CA . LEU A 1 271 ? 1.580 14.018 16.201 1.00 28.29 ? 612 LEU A CA 1 ATOM 2051 C C . LEU A 1 271 ? 2.986 13.751 15.641 1.00 28.79 ? 612 LEU A C 1 ATOM 2052 O O . LEU A 1 271 ? 3.155 13.634 14.426 1.00 29.41 ? 612 LEU A O 1 ATOM 2053 C CB . LEU A 1 271 ? 1.398 15.506 16.532 1.00 28.24 ? 612 LEU A CB 1 ATOM 2054 C CG . LEU A 1 271 ? -0.003 15.967 16.931 1.00 27.93 ? 612 LEU A CG 1 ATOM 2055 C CD1 . LEU A 1 271 ? -0.002 17.425 17.352 1.00 28.81 ? 612 LEU A CD1 1 ATOM 2056 C CD2 . LEU A 1 271 ? -0.982 15.729 15.786 1.00 28.09 ? 612 LEU A CD2 1 ATOM 2057 N N . HIS A 1 272 ? 3.983 13.622 16.521 1.00 29.49 ? 613 HIS A N 1 ATOM 2058 C CA . HIS A 1 272 ? 5.333 13.221 16.094 1.00 29.84 ? 613 HIS A CA 1 ATOM 2059 C C . HIS A 1 272 ? 5.395 11.769 15.599 1.00 29.62 ? 613 HIS A C 1 ATOM 2060 O O . HIS A 1 272 ? 6.100 11.469 14.632 1.00 29.40 ? 613 HIS A O 1 ATOM 2061 C CB . HIS A 1 272 ? 6.360 13.461 17.203 1.00 30.40 ? 613 HIS A CB 1 ATOM 2062 C CG . HIS A 1 272 ? 7.758 13.081 16.823 1.00 33.51 ? 613 HIS A CG 1 ATOM 2063 N ND1 . HIS A 1 272 ? 8.409 13.622 15.731 1.00 36.54 ? 613 HIS A ND1 1 ATOM 2064 C CD2 . HIS A 1 272 ? 8.631 12.210 17.387 1.00 34.99 ? 613 HIS A CD2 1 ATOM 2065 C CE1 . HIS A 1 272 ? 9.619 13.099 15.637 1.00 35.37 ? 613 HIS A CE1 1 ATOM 2066 N NE2 . HIS A 1 272 ? 9.782 12.246 16.634 1.00 36.16 ? 613 HIS A NE2 1 ATOM 2067 N N . GLN A 1 273 ? 4.657 10.875 16.256 1.00 29.00 ? 614 GLN A N 1 ATOM 2068 C CA . GLN A 1 273 ? 4.568 9.485 15.791 1.00 29.01 ? 614 GLN A CA 1 ATOM 2069 C C . GLN A 1 273 ? 4.001 9.343 14.370 1.00 28.85 ? 614 GLN A C 1 ATOM 2070 O O . GLN A 1 273 ? 4.495 8.551 13.586 1.00 28.65 ? 614 GLN A O 1 ATOM 2071 C CB . GLN A 1 273 ? 3.772 8.615 16.782 1.00 28.77 ? 614 GLN A CB 1 ATOM 2072 C CG . GLN A 1 273 ? 4.554 8.249 18.053 1.00 27.82 ? 614 GLN A CG 1 ATOM 2073 C CD . GLN A 1 273 ? 5.923 7.632 17.762 1.00 26.83 ? 614 GLN A CD 1 ATOM 2074 O OE1 . GLN A 1 273 ? 6.041 6.644 17.036 1.00 26.62 ? 614 GLN A OE1 1 ATOM 2075 N NE2 . GLN A 1 273 ? 6.961 8.209 18.350 1.00 26.04 ? 614 GLN A NE2 1 ATOM 2076 N N . GLN A 1 274 ? 2.966 10.107 14.041 1.00 29.48 ? 615 GLN A N 1 ATOM 2077 C CA . GLN A 1 274 ? 2.382 9.987 12.715 1.00 29.85 ? 615 GLN A CA 1 ATOM 2078 C C . GLN A 1 274 ? 3.220 10.629 11.598 1.00 30.22 ? 615 GLN A C 1 ATOM 2079 O O . GLN A 1 274 ? 3.204 10.159 10.462 1.00 30.46 ? 615 GLN A O 1 ATOM 2080 C CB . GLN A 1 274 ? 0.931 10.419 12.702 1.00 29.56 ? 615 GLN A CB 1 ATOM 2081 C CG . GLN A 1 274 ? 0.660 11.870 12.466 1.00 29.59 ? 615 GLN A CG 1 ATOM 2082 C CD . GLN A 1 274 ? -0.824 12.112 12.411 1.00 29.14 ? 615 GLN A CD 1 ATOM 2083 O OE1 . GLN A 1 274 ? -1.599 11.190 12.148 1.00 28.71 ? 615 GLN A OE1 1 ATOM 2084 N NE2 . GLN A 1 274 ? -1.237 13.336 12.683 1.00 29.76 ? 615 GLN A NE2 1 ATOM 2085 N N . ALA A 1 275 ? 3.967 11.679 11.940 1.00 30.52 ? 616 ALA A N 1 ATOM 2086 C CA . ALA A 1 275 ? 4.996 12.239 11.056 1.00 30.56 ? 616 ALA A CA 1 ATOM 2087 C C . ALA A 1 275 ? 5.990 11.171 10.588 1.00 30.53 ? 616 ALA A C 1 ATOM 2088 O O . ALA A 1 275 ? 6.493 11.241 9.468 1.00 31.23 ? 616 ALA A O 1 ATOM 2089 C CB . ALA A 1 275 ? 5.741 13.394 11.761 1.00 30.57 ? 616 ALA A CB 1 ATOM 2090 N N . LEU A 1 276 ? 6.250 10.179 11.442 1.00 30.03 ? 617 LEU A N 1 ATOM 2091 C CA . LEU A 1 276 ? 7.201 9.106 11.155 1.00 29.47 ? 617 LEU A CA 1 ATOM 2092 C C . LEU A 1 276 ? 6.566 7.859 10.533 1.00 29.29 ? 617 LEU A C 1 ATOM 2093 O O . LEU A 1 276 ? 7.126 7.278 9.603 1.00 29.05 ? 617 LEU A O 1 ATOM 2094 C CB . LEU A 1 276 ? 7.930 8.691 12.433 1.00 29.44 ? 617 LEU A CB 1 ATOM 2095 C CG . LEU A 1 276 ? 8.733 9.692 13.247 1.00 29.30 ? 617 LEU A CG 1 ATOM 2096 C CD1 . LEU A 1 276 ? 9.311 8.973 14.426 1.00 29.03 ? 617 LEU A CD1 1 ATOM 2097 C CD2 . LEU A 1 276 ? 9.851 10.297 12.400 1.00 31.45 ? 617 LEU A CD2 1 ATOM 2098 N N . PHE A 1 277 ? 5.415 7.436 11.053 1.00 29.42 ? 618 PHE A N 1 ATOM 2099 C CA . PHE A 1 277 ? 4.818 6.146 10.648 1.00 29.85 ? 618 PHE A CA 1 ATOM 2100 C C . PHE A 1 277 ? 3.432 6.236 10.028 1.00 30.34 ? 618 PHE A C 1 ATOM 2101 O O . PHE A 1 277 ? 2.840 5.219 9.680 1.00 29.88 ? 618 PHE A O 1 ATOM 2102 C CB . PHE A 1 277 ? 4.798 5.155 11.819 1.00 29.43 ? 618 PHE A CB 1 ATOM 2103 C CG . PHE A 1 277 ? 6.091 5.056 12.547 1.00 27.96 ? 618 PHE A CG 1 ATOM 2104 C CD1 . PHE A 1 277 ? 7.202 4.464 11.943 1.00 27.72 ? 618 PHE A CD1 1 ATOM 2105 C CD2 . PHE A 1 277 ? 6.201 5.532 13.845 1.00 27.42 ? 618 PHE A CD2 1 ATOM 2106 C CE1 . PHE A 1 277 ? 8.421 4.346 12.614 1.00 27.04 ? 618 PHE A CE1 1 ATOM 2107 C CE2 . PHE A 1 277 ? 7.420 5.430 14.536 1.00 28.37 ? 618 PHE A CE2 1 ATOM 2108 C CZ . PHE A 1 277 ? 8.536 4.833 13.912 1.00 28.53 ? 618 PHE A CZ 1 ATOM 2109 N N . GLY A 1 278 ? 2.933 7.455 9.882 1.00 31.75 ? 619 GLY A N 1 ATOM 2110 C CA . GLY A 1 278 ? 1.664 7.695 9.214 1.00 34.35 ? 619 GLY A CA 1 ATOM 2111 C C . GLY A 1 278 ? 1.723 7.606 7.700 1.00 36.00 ? 619 GLY A C 1 ATOM 2112 O O . GLY A 1 278 ? 2.711 7.128 7.133 1.00 35.51 ? 619 GLY A O 1 ATOM 2113 N N . LYS A 1 279 ? 0.662 8.087 7.052 1.00 38.15 ? 620 LYS A N 1 ATOM 2114 C CA . LYS A 1 279 ? 0.437 7.871 5.615 1.00 40.45 ? 620 LYS A CA 1 ATOM 2115 C C . LYS A 1 279 ? 1.607 8.253 4.712 1.00 41.58 ? 620 LYS A C 1 ATOM 2116 O O . LYS A 1 279 ? 1.978 7.479 3.822 1.00 42.45 ? 620 LYS A O 1 ATOM 2117 C CB . LYS A 1 279 ? -0.864 8.539 5.146 1.00 41.01 ? 620 LYS A CB 1 ATOM 2118 C CG . LYS A 1 279 ? -1.216 8.251 3.691 1.00 42.80 ? 620 LYS A CG 1 ATOM 2119 C CD . LYS A 1 279 ? -2.660 7.809 3.546 1.00 46.07 ? 620 LYS A CD 1 ATOM 2120 C CE . LYS A 1 279 ? -2.976 7.433 2.103 1.00 48.66 ? 620 LYS A CE 1 ATOM 2121 N NZ . LYS A 1 279 ? -2.885 8.607 1.166 1.00 50.53 ? 620 LYS A NZ 1 ATOM 2122 N N . ASN A 1 280 ? 2.195 9.428 4.922 1.00 42.64 ? 621 ASN A N 1 ATOM 2123 C CA . ASN A 1 280 ? 3.398 9.780 4.145 1.00 43.74 ? 621 ASN A CA 1 ATOM 2124 C C . ASN A 1 280 ? 4.632 9.932 5.026 1.00 43.61 ? 621 ASN A C 1 ATOM 2125 O O . ASN A 1 280 ? 5.522 10.733 4.744 1.00 44.15 ? 621 ASN A O 1 ATOM 2126 C CB . ASN A 1 280 ? 3.156 11.019 3.264 1.00 44.32 ? 621 ASN A CB 1 ATOM 2127 C CG . ASN A 1 280 ? 2.014 10.808 2.270 1.00 46.36 ? 621 ASN A CG 1 ATOM 2128 O OD1 . ASN A 1 280 ? 0.956 11.443 2.377 1.00 48.28 ? 621 ASN A OD1 1 ATOM 2129 N ND2 . ASN A 1 280 ? 2.208 9.884 1.321 1.00 46.75 ? 621 ASN A ND2 1 ATOM 2130 N N . GLY A 1 281 ? 4.678 9.127 6.083 1.00 43.44 ? 622 GLY A N 1 ATOM 2131 C CA . GLY A 1 281 ? 5.674 9.269 7.123 1.00 42.99 ? 622 GLY A CA 1 ATOM 2132 C C . GLY A 1 281 ? 7.041 8.893 6.626 1.00 42.94 ? 622 GLY A C 1 ATOM 2133 O O . GLY A 1 281 ? 7.169 8.113 5.677 1.00 42.59 ? 622 GLY A O 1 ATOM 2134 N N . LYS A 1 282 ? 8.058 9.440 7.290 1.00 42.76 ? 623 LYS A N 1 ATOM 2135 C CA . LYS A 1 282 ? 9.451 9.229 6.928 1.00 42.88 ? 623 LYS A CA 1 ATOM 2136 C C . LYS A 1 282 ? 9.820 7.760 6.889 1.00 42.37 ? 623 LYS A C 1 ATOM 2137 O O . LYS A 1 282 ? 10.725 7.358 6.143 1.00 42.17 ? 623 LYS A O 1 ATOM 2138 C CB . LYS A 1 282 ? 10.373 9.971 7.896 1.00 43.22 ? 623 LYS A CB 1 ATOM 2139 C CG . LYS A 1 282 ? 10.202 11.492 7.832 1.00 46.11 ? 623 LYS A CG 1 ATOM 2140 C CD . LYS A 1 282 ? 11.546 12.235 7.744 1.00 50.69 ? 623 LYS A CD 1 ATOM 2141 C CE . LYS A 1 282 ? 12.234 12.332 9.091 1.00 52.16 ? 623 LYS A CE 1 ATOM 2142 N NZ . LYS A 1 282 ? 11.389 13.134 10.026 1.00 54.51 ? 623 LYS A NZ 1 ATOM 2143 N N . ASN A 1 283 ? 9.109 6.960 7.678 1.00 41.60 ? 624 ASN A N 1 ATOM 2144 C CA . ASN A 1 283 ? 9.443 5.560 7.808 1.00 41.31 ? 624 ASN A CA 1 ATOM 2145 C C . ASN A 1 283 ? 8.332 4.600 7.460 1.00 41.19 ? 624 ASN A C 1 ATOM 2146 O O . ASN A 1 283 ? 8.512 3.391 7.598 1.00 40.88 ? 624 ASN A O 1 ATOM 2147 C CB . ASN A 1 283 ? 9.933 5.272 9.221 1.00 41.55 ? 624 ASN A CB 1 ATOM 2148 C CG . ASN A 1 283 ? 11.151 6.088 9.588 1.00 42.73 ? 624 ASN A CG 1 ATOM 2149 O OD1 . ASN A 1 283 ? 12.056 6.287 8.763 1.00 44.31 ? 624 ASN A OD1 1 ATOM 2150 N ND2 . ASN A 1 283 ? 11.181 6.583 10.821 1.00 42.62 ? 624 ASN A ND2 1 ATOM 2151 N N . CYS A 1 284 ? 7.189 5.106 7.007 1.00 41.21 ? 625 CYS A N 1 ATOM 2152 C CA . CYS A 1 284 ? 6.030 4.225 6.974 1.00 42.51 ? 625 CYS A CA 1 ATOM 2153 C C . CYS A 1 284 ? 6.215 3.105 5.987 1.00 44.12 ? 625 CYS A C 1 ATOM 2154 O O . CYS A 1 284 ? 6.276 1.935 6.416 1.00 45.47 ? 625 CYS A O 1 ATOM 2155 C CB . CYS A 1 284 ? 4.688 4.922 6.799 1.00 41.54 ? 625 CYS A CB 1 ATOM 2156 S SG . CYS A 1 284 ? 3.366 3.963 5.937 1.00 39.21 ? 625 CYS A SG 1 ATOM 2157 N N . PRO A 1 285 ? 6.318 3.424 4.677 1.00 44.57 ? 626 PRO A N 1 ATOM 2158 C CA . PRO A 1 285 ? 6.380 2.258 3.789 1.00 44.51 ? 626 PRO A CA 1 ATOM 2159 C C . PRO A 1 285 ? 7.586 1.411 4.193 1.00 44.79 ? 626 PRO A C 1 ATOM 2160 O O . PRO A 1 285 ? 7.502 0.188 4.263 1.00 44.80 ? 626 PRO A O 1 ATOM 2161 C CB . PRO A 1 285 ? 6.566 2.876 2.403 1.00 44.60 ? 626 PRO A CB 1 ATOM 2162 C CG . PRO A 1 285 ? 6.076 4.302 2.541 1.00 44.93 ? 626 PRO A CG 1 ATOM 2163 C CD . PRO A 1 285 ? 6.375 4.709 3.952 1.00 44.43 ? 626 PRO A CD 1 ATOM 2164 N N . ASP A 1 286 ? 8.663 2.099 4.555 1.00 45.18 ? 627 ASP A N 1 ATOM 2165 C CA . ASP A 1 286 ? 9.991 1.521 4.713 1.00 45.47 ? 627 ASP A CA 1 ATOM 2166 C C . ASP A 1 286 ? 10.141 0.647 5.956 1.00 44.77 ? 627 ASP A C 1 ATOM 2167 O O . ASP A 1 286 ? 10.354 -0.561 5.842 1.00 45.04 ? 627 ASP A O 1 ATOM 2168 C CB . ASP A 1 286 ? 11.015 2.661 4.702 1.00 46.30 ? 627 ASP A CB 1 ATOM 2169 C CG . ASP A 1 286 ? 10.675 3.727 3.662 1.00 48.36 ? 627 ASP A CG 1 ATOM 2170 O OD1 . ASP A 1 286 ? 10.735 3.395 2.451 1.00 50.52 ? 627 ASP A OD1 1 ATOM 2171 O OD2 . ASP A 1 286 ? 10.321 4.871 4.053 1.00 48.95 ? 627 ASP A OD2 1 ATOM 2172 N N . LYS A 1 287 ? 10.028 1.250 7.135 1.00 43.80 ? 628 LYS A N 1 ATOM 2173 C CA . LYS A 1 287 ? 10.184 0.511 8.384 1.00 43.04 ? 628 LYS A CA 1 ATOM 2174 C C . LYS A 1 287 ? 8.841 0.030 8.948 1.00 41.72 ? 628 LYS A C 1 ATOM 2175 O O . LYS A 1 287 ? 8.652 -1.173 9.132 1.00 41.94 ? 628 LYS A O 1 ATOM 2176 C CB . LYS A 1 287 ? 10.968 1.330 9.427 1.00 43.32 ? 628 LYS A CB 1 ATOM 2177 C CG . LYS A 1 287 ? 12.376 1.725 8.979 1.00 46.23 ? 628 LYS A CG 1 ATOM 2178 C CD . LYS A 1 287 ? 13.326 1.970 10.163 1.00 49.11 ? 628 LYS A CD 1 ATOM 2179 C CE . LYS A 1 287 ? 14.027 0.667 10.621 1.00 50.55 ? 628 LYS A CE 1 ATOM 2180 N NZ . LYS A 1 287 ? 14.718 0.784 11.962 1.00 49.23 ? 628 LYS A NZ 1 ATOM 2181 N N . PHE A 1 288 ? 7.914 0.957 9.205 1.00 39.77 ? 629 PHE A N 1 ATOM 2182 C CA . PHE A 1 288 ? 6.652 0.627 9.889 1.00 37.62 ? 629 PHE A CA 1 ATOM 2183 C C . PHE A 1 288 ? 5.531 1.619 9.546 1.00 36.67 ? 629 PHE A C 1 ATOM 2184 O O . PHE A 1 288 ? 5.746 2.828 9.544 1.00 36.03 ? 629 PHE A O 1 ATOM 2185 C CB . PHE A 1 288 ? 6.884 0.552 11.416 1.00 37.15 ? 629 PHE A CB 1 ATOM 2186 C CG . PHE A 1 288 ? 5.621 0.352 12.232 1.00 36.06 ? 629 PHE A CG 1 ATOM 2187 C CD1 . PHE A 1 288 ? 4.988 -0.899 12.284 1.00 35.52 ? 629 PHE A CD1 1 ATOM 2188 C CD2 . PHE A 1 288 ? 5.077 1.405 12.954 1.00 32.56 ? 629 PHE A CD2 1 ATOM 2189 C CE1 . PHE A 1 288 ? 3.820 -1.083 13.031 1.00 34.72 ? 629 PHE A CE1 1 ATOM 2190 C CE2 . PHE A 1 288 ? 3.917 1.231 13.696 1.00 34.06 ? 629 PHE A CE2 1 ATOM 2191 C CZ . PHE A 1 288 ? 3.283 -0.017 13.734 1.00 34.67 ? 629 PHE A CZ 1 ATOM 2192 N N . CYS A 1 289 ? 4.344 1.088 9.250 1.00 35.84 ? 630 CYS A N 1 ATOM 2193 C CA . CYS A 1 289 ? 3.137 1.892 9.030 1.00 35.15 ? 630 CYS A CA 1 ATOM 2194 C C . CYS A 1 289 ? 2.100 1.676 10.137 1.00 34.58 ? 630 CYS A C 1 ATOM 2195 O O . CYS A 1 289 ? 1.529 0.588 10.274 1.00 34.18 ? 630 CYS A O 1 ATOM 2196 C CB . CYS A 1 289 ? 2.519 1.586 7.669 1.00 35.05 ? 630 CYS A CB 1 ATOM 2197 S SG . CYS A 1 289 ? 3.610 1.964 6.280 1.00 37.28 ? 630 CYS A SG 1 ATOM 2198 N N . LEU A 1 290 ? 1.885 2.730 10.919 1.00 33.85 ? 631 LEU A N 1 ATOM 2199 C CA . LEU A 1 290 ? 0.854 2.800 11.945 1.00 33.25 ? 631 LEU A CA 1 ATOM 2200 C C . LEU A 1 290 ? -0.551 2.415 11.479 1.00 33.26 ? 631 LEU A C 1 ATOM 2201 O O . LEU A 1 290 ? -1.300 1.775 12.219 1.00 32.49 ? 631 LEU A O 1 ATOM 2202 C CB . LEU A 1 290 ? 0.781 4.221 12.498 1.00 33.16 ? 631 LEU A CB 1 ATOM 2203 C CG . LEU A 1 290 ? 1.144 4.534 13.948 1.00 33.41 ? 631 LEU A CG 1 ATOM 2204 C CD1 . LEU A 1 290 ? 0.654 5.945 14.279 1.00 32.47 ? 631 LEU A CD1 1 ATOM 2205 C CD2 . LEU A 1 290 ? 0.586 3.513 14.943 1.00 31.14 ? 631 LEU A CD2 1 ATOM 2206 N N . PHE A 1 291 ? -0.922 2.833 10.269 1.00 33.55 ? 632 PHE A N 1 ATOM 2207 C CA . PHE A 1 291 ? -2.295 2.656 9.811 1.00 33.59 ? 632 PHE A CA 1 ATOM 2208 C C . PHE A 1 291 ? -2.496 1.443 8.876 1.00 34.47 ? 632 PHE A C 1 ATOM 2209 O O . PHE A 1 291 ? -3.506 1.341 8.193 1.00 34.85 ? 632 PHE A O 1 ATOM 2210 C CB . PHE A 1 291 ? -2.847 3.968 9.238 1.00 33.03 ? 632 PHE A CB 1 ATOM 2211 C CG . PHE A 1 291 ? -2.671 5.161 10.163 1.00 32.33 ? 632 PHE A CG 1 ATOM 2212 C CD1 . PHE A 1 291 ? -3.054 5.090 11.506 1.00 31.98 ? 632 PHE A CD1 1 ATOM 2213 C CD2 . PHE A 1 291 ? -2.123 6.359 9.689 1.00 31.81 ? 632 PHE A CD2 1 ATOM 2214 C CE1 . PHE A 1 291 ? -2.888 6.184 12.372 1.00 31.61 ? 632 PHE A CE1 1 ATOM 2215 C CE2 . PHE A 1 291 ? -1.946 7.464 10.538 1.00 32.00 ? 632 PHE A CE2 1 ATOM 2216 C CZ . PHE A 1 291 ? -2.333 7.379 11.888 1.00 32.03 ? 632 PHE A CZ 1 ATOM 2217 N N . LYS A 1 292 ? -1.542 0.518 8.876 1.00 35.52 ? 633 LYS A N 1 ATOM 2218 C CA . LYS A 1 292 ? -1.700 -0.756 8.178 1.00 37.21 ? 633 LYS A CA 1 ATOM 2219 C C . LYS A 1 292 ? -1.702 -1.935 9.134 1.00 37.53 ? 633 LYS A C 1 ATOM 2220 O O . LYS A 1 292 ? -1.046 -1.909 10.178 1.00 37.38 ? 633 LYS A O 1 ATOM 2221 C CB . LYS A 1 292 ? -0.599 -0.958 7.132 1.00 37.50 ? 633 LYS A CB 1 ATOM 2222 C CG . LYS A 1 292 ? -0.996 -0.545 5.725 1.00 40.06 ? 633 LYS A CG 1 ATOM 2223 C CD . LYS A 1 292 ? -1.010 0.966 5.587 1.00 43.63 ? 633 LYS A CD 1 ATOM 2224 C CE . LYS A 1 292 ? -2.270 1.451 4.867 1.00 45.72 ? 633 LYS A CE 1 ATOM 2225 N NZ . LYS A 1 292 ? -2.709 2.791 5.400 1.00 47.29 ? 633 LYS A NZ 1 ATOM 2226 N N . SER A 1 293 ? -2.457 -2.960 8.752 1.00 38.33 ? 634 SER A N 1 ATOM 2227 C CA . SER A 1 293 ? -2.497 -4.261 9.428 1.00 39.30 ? 634 SER A CA 1 ATOM 2228 C C . SER A 1 293 ? -3.321 -5.244 8.578 1.00 40.43 ? 634 SER A C 1 ATOM 2229 O O . SER A 1 293 ? -4.126 -6.015 9.104 1.00 41.13 ? 634 SER A O 1 ATOM 2230 C CB . SER A 1 293 ? -3.089 -4.142 10.835 1.00 38.72 ? 634 SER A CB 1 ATOM 2231 O OG . SER A 1 293 ? -4.282 -3.385 10.827 1.00 37.13 ? 634 SER A OG 1 ATOM 2232 N N . GLU A 1 294 ? -3.119 -5.201 7.262 1.00 41.35 ? 635 GLU A N 1 ATOM 2233 C CA . GLU A 1 294 ? -3.834 -6.076 6.309 1.00 42.36 ? 635 GLU A CA 1 ATOM 2234 C C . GLU A 1 294 ? -5.319 -6.351 6.647 1.00 41.59 ? 635 GLU A C 1 ATOM 2235 O O . GLU A 1 294 ? -5.701 -7.492 6.982 1.00 41.62 ? 635 GLU A O 1 ATOM 2236 C CB . GLU A 1 294 ? -3.059 -7.389 6.034 1.00 43.06 ? 635 GLU A CB 1 ATOM 2237 C CG . GLU A 1 294 ? -1.959 -7.746 7.040 1.00 46.19 ? 635 GLU A CG 1 ATOM 2238 C CD . GLU A 1 294 ? -1.738 -9.251 7.158 1.00 50.08 ? 635 GLU A CD 1 ATOM 2239 O OE1 . GLU A 1 294 ? -0.849 -9.780 6.450 1.00 52.27 ? 635 GLU A OE1 1 ATOM 2240 O OE2 . GLU A 1 294 ? -2.458 -9.902 7.949 1.00 50.96 ? 635 GLU A OE2 1 ATOM 2241 N N . THR A 1 295 ? -6.133 -5.292 6.567 1.00 40.34 ? 636 THR A N 1 ATOM 2242 C CA . THR A 1 295 ? -7.610 -5.369 6.665 1.00 38.96 ? 636 THR A CA 1 ATOM 2243 C C . THR A 1 295 ? -8.150 -5.703 8.086 1.00 37.40 ? 636 THR A C 1 ATOM 2244 O O . THR A 1 295 ? -9.364 -5.890 8.294 1.00 37.62 ? 636 THR A O 1 ATOM 2245 C CB . THR A 1 295 ? -8.207 -6.290 5.534 1.00 38.98 ? 636 THR A CB 1 ATOM 2246 O OG1 . THR A 1 295 ? -9.438 -5.739 5.049 1.00 40.46 ? 636 THR A OG1 1 ATOM 2247 C CG2 . THR A 1 295 ? -8.422 -7.736 6.009 1.00 39.22 ? 636 THR A CG2 1 ATOM 2248 N N . LYS A 1 296 ? -7.245 -5.740 9.060 1.00 34.81 ? 637 LYS A N 1 ATOM 2249 C CA . LYS A 1 296 ? -7.573 -6.215 10.397 1.00 32.22 ? 637 LYS A CA 1 ATOM 2250 C C . LYS A 1 296 ? -7.922 -5.105 11.396 1.00 29.62 ? 637 LYS A C 1 ATOM 2251 O O . LYS A 1 296 ? -8.437 -5.379 12.475 1.00 28.84 ? 637 LYS A O 1 ATOM 2252 C CB . LYS A 1 296 ? -6.439 -7.095 10.909 1.00 32.89 ? 637 LYS A CB 1 ATOM 2253 C CG . LYS A 1 296 ? -6.348 -8.427 10.182 1.00 35.72 ? 637 LYS A CG 1 ATOM 2254 C CD . LYS A 1 296 ? -4.921 -8.735 9.736 1.00 40.44 ? 637 LYS A CD 1 ATOM 2255 C CE . LYS A 1 296 ? -4.081 -9.277 10.871 1.00 43.95 ? 637 LYS A CE 1 ATOM 2256 N NZ . LYS A 1 296 ? -4.679 -10.504 11.501 1.00 46.44 ? 637 LYS A NZ 1 ATOM 2257 N N . ASN A 1 297 ? -7.675 -3.858 11.005 1.00 26.79 ? 638 ASN A N 1 ATOM 2258 C CA . ASN A 1 297 ? -8.017 -2.677 11.811 1.00 24.68 ? 638 ASN A CA 1 ATOM 2259 C C . ASN A 1 297 ? -7.485 -2.747 13.236 1.00 22.88 ? 638 ASN A C 1 ATOM 2260 O O . ASN A 1 297 ? -8.243 -2.635 14.208 1.00 22.68 ? 638 ASN A O 1 ATOM 2261 C CB . ASN A 1 297 ? -9.527 -2.412 11.802 1.00 24.68 ? 638 ASN A CB 1 ATOM 2262 C CG . ASN A 1 297 ? -10.084 -2.192 10.404 1.00 24.57 ? 638 ASN A CG 1 ATOM 2263 O OD1 . ASN A 1 297 ? -11.174 -2.683 10.069 1.00 26.49 ? 638 ASN A OD1 1 ATOM 2264 N ND2 . ASN A 1 297 ? -9.370 -1.429 9.597 1.00 23.59 ? 638 ASN A ND2 1 ATOM 2265 N N . LEU A 1 298 ? -6.174 -2.948 13.337 1.00 20.84 ? 639 LEU A N 1 ATOM 2266 C CA . LEU A 1 298 ? -5.504 -3.152 14.604 1.00 19.43 ? 639 LEU A CA 1 ATOM 2267 C C . LEU A 1 298 ? -5.013 -1.805 15.101 1.00 18.83 ? 639 LEU A C 1 ATOM 2268 O O . LEU A 1 298 ? -4.313 -1.108 14.378 1.00 18.64 ? 639 LEU A O 1 ATOM 2269 C CB . LEU A 1 298 ? -4.328 -4.120 14.436 1.00 18.85 ? 639 LEU A CB 1 ATOM 2270 C CG . LEU A 1 298 ? -4.644 -5.548 13.975 1.00 18.86 ? 639 LEU A CG 1 ATOM 2271 C CD1 . LEU A 1 298 ? -3.414 -6.423 14.058 1.00 16.70 ? 639 LEU A CD1 1 ATOM 2272 C CD2 . LEU A 1 298 ? -5.773 -6.172 14.800 1.00 19.51 ? 639 LEU A CD2 1 ATOM 2273 N N . LEU A 1 299 ? -5.409 -1.447 16.322 1.00 18.29 ? 640 LEU A N 1 ATOM 2274 C CA . LEU A 1 299 ? -5.100 -0.142 16.980 1.00 17.84 ? 640 LEU A CA 1 ATOM 2275 C C . LEU A 1 299 ? -5.805 1.042 16.340 1.00 17.68 ? 640 LEU A C 1 ATOM 2276 O O . LEU A 1 299 ? -6.407 1.858 17.035 1.00 18.09 ? 640 LEU A O 1 ATOM 2277 C CB . LEU A 1 299 ? -3.587 0.119 17.084 1.00 17.30 ? 640 LEU A CB 1 ATOM 2278 C CG . LEU A 1 299 ? -2.676 -0.995 17.631 1.00 18.03 ? 640 LEU A CG 1 ATOM 2279 C CD1 . LEU A 1 299 ? -1.214 -0.503 17.643 1.00 18.65 ? 640 LEU A CD1 1 ATOM 2280 C CD2 . LEU A 1 299 ? -3.097 -1.444 19.039 1.00 16.33 ? 640 LEU A CD2 1 ATOM 2281 N N . PHE A 1 300 ? -5.707 1.133 15.016 1.00 17.57 ? 641 PHE A N 1 ATOM 2282 C CA . PHE A 1 300 ? -6.411 2.122 14.208 1.00 17.97 ? 641 PHE A CA 1 ATOM 2283 C C . PHE A 1 300 ? -7.074 1.399 13.052 1.00 18.91 ? 641 PHE A C 1 ATOM 2284 O O . PHE A 1 300 ? -6.634 0.305 12.693 1.00 19.72 ? 641 PHE A O 1 ATOM 2285 C CB . PHE A 1 300 ? -5.423 3.160 13.689 1.00 17.01 ? 641 PHE A CB 1 ATOM 2286 C CG . PHE A 1 300 ? -4.680 3.839 14.780 1.00 17.64 ? 641 PHE A CG 1 ATOM 2287 C CD1 . PHE A 1 300 ? -5.269 4.907 15.470 1.00 17.20 ? 641 PHE A CD1 1 ATOM 2288 C CD2 . PHE A 1 300 ? -3.407 3.397 15.157 1.00 16.29 ? 641 PHE A CD2 1 ATOM 2289 C CE1 . PHE A 1 300 ? -4.610 5.536 16.498 1.00 15.75 ? 641 PHE A CE1 1 ATOM 2290 C CE2 . PHE A 1 300 ? -2.729 4.013 16.197 1.00 16.04 ? 641 PHE A CE2 1 ATOM 2291 C CZ . PHE A 1 300 ? -3.333 5.092 16.875 1.00 16.99 ? 641 PHE A CZ 1 ATOM 2292 N N . ASN A 1 301 ? -8.131 1.989 12.495 1.00 19.49 ? 642 ASN A N 1 ATOM 2293 C CA . ASN A 1 301 ? -8.684 1.543 11.223 1.00 20.69 ? 642 ASN A CA 1 ATOM 2294 C C . ASN A 1 301 ? -7.657 1.698 10.104 1.00 22.05 ? 642 ASN A C 1 ATOM 2295 O O . ASN A 1 301 ? -6.926 2.699 10.051 1.00 21.61 ? 642 ASN A O 1 ATOM 2296 C CB . ASN A 1 301 ? -9.947 2.323 10.853 1.00 19.98 ? 642 ASN A CB 1 ATOM 2297 C CG . ASN A 1 301 ? -11.120 1.959 11.712 1.00 19.92 ? 642 ASN A CG 1 ATOM 2298 O OD1 . ASN A 1 301 ? -11.425 0.778 11.879 1.00 18.44 ? 642 ASN A OD1 1 ATOM 2299 N ND2 . ASN A 1 301 ? -11.784 2.966 12.292 1.00 17.93 ? 642 ASN A ND2 1 ATOM 2300 N N . ASP A 1 302 ? -7.619 0.711 9.206 1.00 23.44 ? 643 ASP A N 1 ATOM 2301 C CA . ASP A 1 302 ? -6.705 0.729 8.060 1.00 24.92 ? 643 ASP A CA 1 ATOM 2302 C C . ASP A 1 302 ? -6.956 1.865 7.048 1.00 25.48 ? 643 ASP A C 1 ATOM 2303 O O . ASP A 1 302 ? -6.033 2.264 6.327 1.00 25.50 ? 643 ASP A O 1 ATOM 2304 C CB . ASP A 1 302 ? -6.733 -0.625 7.358 1.00 25.70 ? 643 ASP A CB 1 ATOM 2305 C CG . ASP A 1 302 ? -6.238 -1.754 8.241 1.00 27.86 ? 643 ASP A CG 1 ATOM 2306 O OD1 . ASP A 1 302 ? -5.706 -1.516 9.347 1.00 31.77 ? 643 ASP A OD1 1 ATOM 2307 O OD2 . ASP A 1 302 ? -6.376 -2.901 7.820 1.00 33.19 ? 643 ASP A OD2 1 ATOM 2308 N N . ASN A 1 303 ? -8.185 2.384 6.990 1.00 25.97 ? 644 ASN A N 1 ATOM 2309 C CA . ASN A 1 303 ? -8.493 3.498 6.072 1.00 27.03 ? 644 ASN A CA 1 ATOM 2310 C C . ASN A 1 303 ? -8.168 4.890 6.616 1.00 27.53 ? 644 ASN A C 1 ATOM 2311 O O . ASN A 1 303 ? -8.520 5.899 5.998 1.00 28.21 ? 644 ASN A O 1 ATOM 2312 C CB . ASN A 1 303 ? -9.944 3.426 5.538 1.00 26.63 ? 644 ASN A CB 1 ATOM 2313 C CG . ASN A 1 303 ? -11.016 3.634 6.633 1.00 27.20 ? 644 ASN A CG 1 ATOM 2314 O OD1 . ASN A 1 303 ? -10.727 4.001 7.774 1.00 25.77 ? 644 ASN A OD1 1 ATOM 2315 N ND2 . ASN A 1 303 ? -12.261 3.393 6.267 1.00 27.43 ? 644 ASN A ND2 1 ATOM 2316 N N . THR A 1 304 ? -7.503 4.945 7.772 1.00 27.92 ? 645 THR A N 1 ATOM 2317 C CA . THR A 1 304 ? -7.134 6.219 8.402 1.00 27.62 ? 645 THR A CA 1 ATOM 2318 C C . THR A 1 304 ? -6.037 6.939 7.599 1.00 28.12 ? 645 THR A C 1 ATOM 2319 O O . THR A 1 304 ? -4.938 6.417 7.399 1.00 28.00 ? 645 THR A O 1 ATOM 2320 C CB . THR A 1 304 ? -6.687 6.027 9.879 1.00 27.53 ? 645 THR A CB 1 ATOM 2321 O OG1 . THR A 1 304 ? -7.694 5.310 10.601 1.00 26.84 ? 645 THR A OG1 1 ATOM 2322 C CG2 . THR A 1 304 ? -6.453 7.351 10.564 1.00 26.78 ? 645 THR A CG2 1 ATOM 2323 N N . GLU A 1 305 ? -6.349 8.143 7.137 1.00 28.44 ? 646 GLU A N 1 ATOM 2324 C CA . GLU A 1 305 ? -5.354 8.980 6.474 1.00 28.88 ? 646 GLU A CA 1 ATOM 2325 C C . GLU A 1 305 ? -4.410 9.607 7.506 1.00 28.41 ? 646 GLU A C 1 ATOM 2326 O O . GLU A 1 305 ? -3.191 9.625 7.320 1.00 28.47 ? 646 GLU A O 1 ATOM 2327 C CB . GLU A 1 305 ? -6.051 10.058 5.646 1.00 29.12 ? 646 GLU A CB 1 ATOM 2328 C CG . GLU A 1 305 ? -5.182 10.645 4.550 1.00 33.40 ? 646 GLU A CG 1 ATOM 2329 C CD . GLU A 1 305 ? -5.597 12.053 4.164 1.00 37.45 ? 646 GLU A CD 1 ATOM 2330 O OE1 . GLU A 1 305 ? -6.821 12.323 4.121 1.00 39.15 ? 646 GLU A OE1 1 ATOM 2331 O OE2 . GLU A 1 305 ? -4.693 12.892 3.917 1.00 40.10 ? 646 GLU A OE2 1 ATOM 2332 N N . CYS A 1 306 ? -4.984 10.120 8.596 1.00 28.05 ? 647 CYS A N 1 ATOM 2333 C CA . CYS A 1 306 ? -4.212 10.720 9.688 1.00 27.63 ? 647 CYS A CA 1 ATOM 2334 C C . CYS A 1 306 ? -5.075 10.822 10.938 1.00 26.85 ? 647 CYS A C 1 ATOM 2335 O O . CYS A 1 306 ? -6.298 10.626 10.883 1.00 26.90 ? 647 CYS A O 1 ATOM 2336 C CB . CYS A 1 306 ? -3.703 12.129 9.301 1.00 27.90 ? 647 CYS A CB 1 ATOM 2337 S SG . CYS A 1 306 ? -4.980 13.403 9.437 1.00 29.02 ? 647 CYS A SG 1 ATOM 2338 N N . LEU A 1 307 ? -4.422 11.141 12.052 1.00 26.14 ? 648 LEU A N 1 ATOM 2339 C CA . LEU A 1 307 ? -5.084 11.613 13.258 1.00 26.03 ? 648 LEU A CA 1 ATOM 2340 C C . LEU A 1 307 ? -5.193 13.141 13.199 1.00 26.70 ? 648 LEU A C 1 ATOM 2341 O O . LEU A 1 307 ? -4.197 13.841 12.960 1.00 27.30 ? 648 LEU A O 1 ATOM 2342 C CB . LEU A 1 307 ? -4.317 11.145 14.508 1.00 25.41 ? 648 LEU A CB 1 ATOM 2343 C CG . LEU A 1 307 ? -4.146 9.620 14.657 1.00 25.17 ? 648 LEU A CG 1 ATOM 2344 C CD1 . LEU A 1 307 ? -3.108 9.226 15.738 1.00 23.04 ? 648 LEU A CD1 1 ATOM 2345 C CD2 . LEU A 1 307 ? -5.490 8.950 14.913 1.00 23.13 ? 648 LEU A CD2 1 ATOM 2346 N N . ALA A 1 308 ? -6.404 13.648 13.407 1.00 27.24 ? 649 ALA A N 1 ATOM 2347 C CA . ALA A 1 308 ? -6.717 15.060 13.257 1.00 27.59 ? 649 ALA A CA 1 ATOM 2348 C C . ALA A 1 308 ? -6.939 15.728 14.610 1.00 28.39 ? 649 ALA A C 1 ATOM 2349 O O . ALA A 1 308 ? -7.566 15.149 15.501 1.00 27.77 ? 649 ALA A O 1 ATOM 2350 C CB . ALA A 1 308 ? -7.972 15.232 12.382 1.00 27.11 ? 649 ALA A CB 1 ATOM 2351 N N . LYS A 1 309 ? -6.445 16.956 14.744 1.00 29.14 ? 650 LYS A N 1 ATOM 2352 C CA . LYS A 1 309 ? -6.745 17.805 15.911 1.00 30.31 ? 650 LYS A CA 1 ATOM 2353 C C . LYS A 1 309 ? -8.223 18.089 15.939 1.00 30.77 ? 650 LYS A C 1 ATOM 2354 O O . LYS A 1 309 ? -8.881 18.043 14.904 1.00 31.32 ? 650 LYS A O 1 ATOM 2355 C CB . LYS A 1 309 ? -5.969 19.121 15.866 1.00 30.19 ? 650 LYS A CB 1 ATOM 2356 C CG . LYS A 1 309 ? -4.439 18.968 15.911 1.00 31.59 ? 650 LYS A CG 1 ATOM 2357 C CD . LYS A 1 309 ? -3.796 20.343 16.017 1.00 34.17 ? 650 LYS A CD 1 ATOM 2358 C CE . LYS A 1 309 ? -2.335 20.343 15.617 1.00 35.16 ? 650 LYS A CE 1 ATOM 2359 N NZ . LYS A 1 309 ? -1.775 21.692 15.964 1.00 38.41 ? 650 LYS A NZ 1 ATOM 2360 N N . LEU A 1 310 ? -8.753 18.379 17.119 1.00 31.56 ? 651 LEU A N 1 ATOM 2361 C CA . LEU A 1 310 ? -10.189 18.457 17.263 1.00 32.33 ? 651 LEU A CA 1 ATOM 2362 C C . LEU A 1 310 ? -10.809 19.828 16.958 1.00 33.41 ? 651 LEU A C 1 ATOM 2363 O O . LEU A 1 310 ? -11.639 19.960 16.039 1.00 34.56 ? 651 LEU A O 1 ATOM 2364 C CB . LEU A 1 310 ? -10.646 17.836 18.596 1.00 31.92 ? 651 LEU A CB 1 ATOM 2365 C CG . LEU A 1 310 ? -10.503 16.306 18.608 1.00 31.69 ? 651 LEU A CG 1 ATOM 2366 C CD1 . LEU A 1 310 ? -11.124 15.703 19.836 1.00 31.77 ? 651 LEU A CD1 1 ATOM 2367 C CD2 . LEU A 1 310 ? -11.129 15.683 17.365 1.00 30.53 ? 651 LEU A CD2 1 ATOM 2368 N N . GLY A 1 311 ? -10.442 20.859 17.694 1.00 33.93 ? 652 GLY A N 1 ATOM 2369 C CA . GLY A 1 311 ? -11.012 22.166 17.361 1.00 34.30 ? 652 GLY A CA 1 ATOM 2370 C C . GLY A 1 311 ? -12.308 22.369 18.108 1.00 34.38 ? 652 GLY A C 1 ATOM 2371 O O . GLY A 1 311 ? -13.280 21.596 17.955 1.00 34.83 ? 652 GLY A O 1 ATOM 2372 N N . GLY A 1 312 ? -12.313 23.414 18.931 1.00 33.70 ? 653 GLY A N 1 ATOM 2373 C CA . GLY A 1 312 ? -13.417 23.684 19.841 1.00 33.11 ? 653 GLY A CA 1 ATOM 2374 C C . GLY A 1 312 ? -13.174 22.971 21.149 1.00 32.53 ? 653 GLY A C 1 ATOM 2375 O O . GLY A 1 312 ? -14.081 22.873 21.970 1.00 32.66 ? 653 GLY A O 1 ATOM 2376 N N . ARG A 1 313 ? -11.945 22.478 21.321 1.00 31.77 ? 654 ARG A N 1 ATOM 2377 C CA . ARG A 1 313 ? -11.532 21.662 22.467 1.00 31.28 ? 654 ARG A CA 1 ATOM 2378 C C . ARG A 1 313 ? -12.710 20.918 23.107 1.00 29.62 ? 654 ARG A C 1 ATOM 2379 O O . ARG A 1 313 ? -13.056 21.169 24.267 1.00 29.15 ? 654 ARG A O 1 ATOM 2380 C CB . ARG A 1 313 ? -10.770 22.506 23.486 1.00 32.02 ? 654 ARG A CB 1 ATOM 2381 C CG . ARG A 1 313 ? -9.380 22.867 23.025 1.00 36.09 ? 654 ARG A CG 1 ATOM 2382 C CD . ARG A 1 313 ? -8.439 23.118 24.208 1.00 41.52 ? 654 ARG A CD 1 ATOM 2383 N NE . ARG A 1 313 ? -7.218 23.802 23.783 1.00 46.05 ? 654 ARG A NE 1 ATOM 2384 C CZ . ARG A 1 313 ? -6.060 23.196 23.515 1.00 49.79 ? 654 ARG A CZ 1 ATOM 2385 N NH1 . ARG A 1 313 ? -5.936 21.876 23.626 1.00 50.50 ? 654 ARG A NH1 1 ATOM 2386 N NH2 . ARG A 1 313 ? -5.008 23.919 23.135 1.00 52.29 ? 654 ARG A NH2 1 ATOM 2387 N N . PRO A 1 314 ? -13.332 19.990 22.340 1.00 27.98 ? 655 PRO A N 1 ATOM 2388 C CA . PRO A 1 314 ? -14.626 19.491 22.770 1.00 26.70 ? 655 PRO A CA 1 ATOM 2389 C C . PRO A 1 314 ? -14.567 18.573 23.980 1.00 25.59 ? 655 PRO A C 1 ATOM 2390 O O . PRO A 1 314 ? -13.615 17.814 24.155 1.00 25.27 ? 655 PRO A O 1 ATOM 2391 C CB . PRO A 1 314 ? -15.127 18.710 21.547 1.00 26.85 ? 655 PRO A CB 1 ATOM 2392 C CG . PRO A 1 314 ? -13.894 18.287 20.835 1.00 27.47 ? 655 PRO A CG 1 ATOM 2393 C CD . PRO A 1 314 ? -12.882 19.370 21.078 1.00 27.52 ? 655 PRO A CD 1 ATOM 2394 N N . THR A 1 315 ? -15.603 18.630 24.796 1.00 24.75 ? 656 THR A N 1 ATOM 2395 C CA . THR A 1 315 ? -15.830 17.574 25.767 1.00 24.32 ? 656 THR A CA 1 ATOM 2396 C C . THR A 1 315 ? -16.249 16.311 24.979 1.00 24.18 ? 656 THR A C 1 ATOM 2397 O O . THR A 1 315 ? -16.509 16.381 23.759 1.00 23.19 ? 656 THR A O 1 ATOM 2398 C CB . THR A 1 315 ? -16.918 17.961 26.758 1.00 23.99 ? 656 THR A CB 1 ATOM 2399 O OG1 . THR A 1 315 ? -18.148 18.103 26.049 1.00 24.75 ? 656 THR A OG1 1 ATOM 2400 C CG2 . THR A 1 315 ? -16.586 19.277 27.433 1.00 23.32 ? 656 THR A CG2 1 ATOM 2401 N N . TYR A 1 316 ? -16.296 15.170 25.661 1.00 23.45 ? 657 TYR A N 1 ATOM 2402 C CA . TYR A 1 316 ? -16.698 13.941 25.018 1.00 24.07 ? 657 TYR A CA 1 ATOM 2403 C C . TYR A 1 316 ? -18.153 14.057 24.506 1.00 24.41 ? 657 TYR A C 1 ATOM 2404 O O . TYR A 1 316 ? -18.536 13.396 23.548 1.00 24.19 ? 657 TYR A O 1 ATOM 2405 C CB . TYR A 1 316 ? -16.509 12.739 25.965 1.00 23.90 ? 657 TYR A CB 1 ATOM 2406 C CG . TYR A 1 316 ? -17.666 12.522 26.908 1.00 24.05 ? 657 TYR A CG 1 ATOM 2407 C CD1 . TYR A 1 316 ? -18.740 11.723 26.532 1.00 24.10 ? 657 TYR A CD1 1 ATOM 2408 C CD2 . TYR A 1 316 ? -17.710 13.151 28.166 1.00 23.44 ? 657 TYR A CD2 1 ATOM 2409 C CE1 . TYR A 1 316 ? -19.824 11.527 27.386 1.00 25.19 ? 657 TYR A CE1 1 ATOM 2410 C CE2 . TYR A 1 316 ? -18.793 12.956 29.034 1.00 22.86 ? 657 TYR A CE2 1 ATOM 2411 C CZ . TYR A 1 316 ? -19.839 12.142 28.628 1.00 24.43 ? 657 TYR A CZ 1 ATOM 2412 O OH . TYR A 1 316 ? -20.929 11.930 29.438 1.00 25.84 ? 657 TYR A OH 1 ATOM 2413 N N . GLU A 1 317 ? -18.951 14.895 25.159 1.00 24.92 ? 658 GLU A N 1 ATOM 2414 C CA . GLU A 1 317 ? -20.358 15.076 24.798 1.00 25.61 ? 658 GLU A CA 1 ATOM 2415 C C . GLU A 1 317 ? -20.514 15.866 23.510 1.00 25.01 ? 658 GLU A C 1 ATOM 2416 O O . GLU A 1 317 ? -21.311 15.502 22.642 1.00 25.84 ? 658 GLU A O 1 ATOM 2417 C CB . GLU A 1 317 ? -21.108 15.768 25.926 1.00 25.84 ? 658 GLU A CB 1 ATOM 2418 C CG . GLU A 1 317 ? -21.520 14.819 27.037 1.00 30.71 ? 658 GLU A CG 1 ATOM 2419 C CD . GLU A 1 317 ? -22.503 15.445 28.020 1.00 36.51 ? 658 GLU A CD 1 ATOM 2420 O OE1 . GLU A 1 317 ? -22.422 16.674 28.276 1.00 39.03 ? 658 GLU A OE1 1 ATOM 2421 O OE2 . GLU A 1 317 ? -23.371 14.700 28.536 1.00 39.61 ? 658 GLU A OE2 1 ATOM 2422 N N . GLU A 1 318 ? -19.746 16.945 23.398 1.00 24.34 ? 659 GLU A N 1 ATOM 2423 C CA . GLU A 1 318 ? -19.693 17.751 22.200 1.00 24.13 ? 659 GLU A CA 1 ATOM 2424 C C . GLU A 1 318 ? -19.055 16.966 21.069 1.00 24.03 ? 659 GLU A C 1 ATOM 2425 O O . GLU A 1 318 ? -19.433 17.131 19.916 1.00 24.36 ? 659 GLU A O 1 ATOM 2426 C CB . GLU A 1 318 ? -18.875 19.021 22.435 1.00 24.06 ? 659 GLU A CB 1 ATOM 2427 C CG . GLU A 1 318 ? -19.388 19.914 23.550 1.00 24.67 ? 659 GLU A CG 1 ATOM 2428 C CD . GLU A 1 318 ? -18.426 21.036 23.859 1.00 26.18 ? 659 GLU A CD 1 ATOM 2429 O OE1 . GLU A 1 318 ? -17.259 20.765 24.238 1.00 25.89 ? 659 GLU A OE1 1 ATOM 2430 O OE2 . GLU A 1 318 ? -18.842 22.205 23.725 1.00 27.88 ? 659 GLU A OE2 1 ATOM 2431 N N . TYR A 1 319 ? -18.084 16.122 21.391 1.00 23.36 ? 660 TYR A N 1 ATOM 2432 C CA . TYR A 1 319 ? -17.428 15.348 20.367 1.00 23.43 ? 660 TYR A CA 1 ATOM 2433 C C . TYR A 1 319 ? -18.436 14.369 19.747 1.00 24.10 ? 660 TYR A C 1 ATOM 2434 O O . TYR A 1 319 ? -18.461 14.186 18.539 1.00 23.77 ? 660 TYR A O 1 ATOM 2435 C CB . TYR A 1 319 ? -16.171 14.603 20.871 1.00 22.37 ? 660 TYR A CB 1 ATOM 2436 C CG . TYR A 1 319 ? -15.590 13.775 19.754 1.00 21.53 ? 660 TYR A CG 1 ATOM 2437 C CD1 . TYR A 1 319 ? -14.856 14.383 18.734 1.00 22.52 ? 660 TYR A CD1 1 ATOM 2438 C CD2 . TYR A 1 319 ? -15.855 12.416 19.652 1.00 19.23 ? 660 TYR A CD2 1 ATOM 2439 C CE1 . TYR A 1 319 ? -14.371 13.653 17.671 1.00 20.27 ? 660 TYR A CE1 1 ATOM 2440 C CE2 . TYR A 1 319 ? -15.380 11.679 18.589 1.00 17.22 ? 660 TYR A CE2 1 ATOM 2441 C CZ . TYR A 1 319 ? -14.644 12.301 17.602 1.00 19.57 ? 660 TYR A CZ 1 ATOM 2442 O OH . TYR A 1 319 ? -14.150 11.591 16.540 1.00 19.30 ? 660 TYR A OH 1 ATOM 2443 N N . LEU A 1 320 ? -19.262 13.757 20.583 1.00 25.08 ? 661 LEU A N 1 ATOM 2444 C CA . LEU A 1 320 ? -20.192 12.758 20.108 1.00 26.28 ? 661 LEU A CA 1 ATOM 2445 C C . LEU A 1 320 ? -21.448 13.400 19.492 1.00 27.56 ? 661 LEU A C 1 ATOM 2446 O O . LEU A 1 320 ? -22.035 12.833 18.563 1.00 26.89 ? 661 LEU A O 1 ATOM 2447 C CB . LEU A 1 320 ? -20.545 11.765 21.222 1.00 25.61 ? 661 LEU A CB 1 ATOM 2448 C CG . LEU A 1 320 ? -19.418 10.882 21.798 1.00 24.83 ? 661 LEU A CG 1 ATOM 2449 C CD1 . LEU A 1 320 ? -20.002 9.982 22.875 1.00 22.51 ? 661 LEU A CD1 1 ATOM 2450 C CD2 . LEU A 1 320 ? -18.690 10.040 20.717 1.00 23.43 ? 661 LEU A CD2 1 ATOM 2451 N N . GLY A 1 321 ? -21.839 14.576 20.009 1.00 28.84 ? 662 GLY A N 1 ATOM 2452 C CA . GLY A 1 321 ? -23.036 15.288 19.541 1.00 30.47 ? 662 GLY A CA 1 ATOM 2453 C C . GLY A 1 321 ? -24.274 14.909 20.336 1.00 31.99 ? 662 GLY A C 1 ATOM 2454 O O . GLY A 1 321 ? -24.358 13.778 20.837 1.00 31.95 ? 662 GLY A O 1 ATOM 2455 N N . THR A 1 322 ? -25.243 15.832 20.436 1.00 33.12 ? 663 THR A N 1 ATOM 2456 C CA . THR A 1 322 ? -26.445 15.620 21.280 1.00 34.52 ? 663 THR A CA 1 ATOM 2457 C C . THR A 1 322 ? -27.351 14.567 20.677 1.00 34.86 ? 663 THR A C 1 ATOM 2458 O O . THR A 1 322 ? -28.125 13.925 21.383 1.00 35.26 ? 663 THR A O 1 ATOM 2459 C CB . THR A 1 322 ? -27.319 16.906 21.498 1.00 34.80 ? 663 THR A CB 1 ATOM 2460 O OG1 . THR A 1 322 ? -26.514 18.085 21.441 1.00 35.61 ? 663 THR A OG1 1 ATOM 2461 C CG2 . THR A 1 322 ? -28.042 16.853 22.858 1.00 34.70 ? 663 THR A CG2 1 ATOM 2462 N N . GLU A 1 323 ? -27.272 14.432 19.357 1.00 35.77 ? 664 GLU A N 1 ATOM 2463 C CA . GLU A 1 323 ? -27.952 13.369 18.627 1.00 36.65 ? 664 GLU A CA 1 ATOM 2464 C C . GLU A 1 323 ? -27.559 11.992 19.188 1.00 35.51 ? 664 GLU A C 1 ATOM 2465 O O . GLU A 1 323 ? -28.387 11.293 19.776 1.00 35.33 ? 664 GLU A O 1 ATOM 2466 C CB . GLU A 1 323 ? -27.588 13.457 17.137 1.00 37.46 ? 664 GLU A CB 1 ATOM 2467 C CG . GLU A 1 323 ? -28.467 14.377 16.325 1.00 42.33 ? 664 GLU A CG 1 ATOM 2468 C CD . GLU A 1 323 ? -29.835 13.760 16.027 1.00 48.68 ? 664 GLU A CD 1 ATOM 2469 O OE1 . GLU A 1 323 ? -30.079 13.409 14.841 1.00 49.83 ? 664 GLU A OE1 1 ATOM 2470 O OE2 . GLU A 1 323 ? -30.652 13.612 16.980 1.00 51.17 ? 664 GLU A OE2 1 ATOM 2471 N N . TYR A 1 324 ? -26.284 11.636 19.028 1.00 34.58 ? 665 TYR A N 1 ATOM 2472 C CA . TYR A 1 324 ? -25.781 10.324 19.439 1.00 33.67 ? 665 TYR A CA 1 ATOM 2473 C C . TYR A 1 324 ? -25.874 10.054 20.954 1.00 33.90 ? 665 TYR A C 1 ATOM 2474 O O . TYR A 1 324 ? -26.240 8.953 21.373 1.00 33.82 ? 665 TYR A O 1 ATOM 2475 C CB . TYR A 1 324 ? -24.362 10.102 18.892 1.00 32.62 ? 665 TYR A CB 1 ATOM 2476 C CG . TYR A 1 324 ? -23.821 8.704 19.110 1.00 31.17 ? 665 TYR A CG 1 ATOM 2477 C CD1 . TYR A 1 324 ? -24.609 7.573 18.864 1.00 29.15 ? 665 TYR A CD1 1 ATOM 2478 C CD2 . TYR A 1 324 ? -22.513 8.516 19.547 1.00 29.28 ? 665 TYR A CD2 1 ATOM 2479 C CE1 . TYR A 1 324 ? -24.113 6.294 19.080 1.00 29.72 ? 665 TYR A CE1 1 ATOM 2480 C CE2 . TYR A 1 324 ? -22.008 7.246 19.758 1.00 29.68 ? 665 TYR A CE2 1 ATOM 2481 C CZ . TYR A 1 324 ? -22.806 6.143 19.528 1.00 29.07 ? 665 TYR A CZ 1 ATOM 2482 O OH . TYR A 1 324 ? -22.283 4.905 19.753 1.00 29.78 ? 665 TYR A OH 1 ATOM 2483 N N . VAL A 1 325 ? -25.576 11.068 21.763 1.00 34.46 ? 666 VAL A N 1 ATOM 2484 C CA . VAL A 1 325 ? -25.574 10.936 23.225 1.00 35.04 ? 666 VAL A CA 1 ATOM 2485 C C . VAL A 1 325 ? -26.954 10.604 23.794 1.00 35.32 ? 666 VAL A C 1 ATOM 2486 O O . VAL A 1 325 ? -27.068 9.772 24.695 1.00 35.50 ? 666 VAL A O 1 ATOM 2487 C CB . VAL A 1 325 ? -24.943 12.192 23.936 1.00 35.25 ? 666 VAL A CB 1 ATOM 2488 C CG1 . VAL A 1 325 ? -25.083 12.110 25.451 1.00 34.79 ? 666 VAL A CG1 1 ATOM 2489 C CG2 . VAL A 1 325 ? -23.475 12.327 23.572 1.00 34.83 ? 666 VAL A CG2 1 ATOM 2490 N N . THR A 1 326 ? -28.001 11.227 23.262 1.00 36.07 ? 667 THR A N 1 ATOM 2491 C CA . THR A 1 326 ? -29.356 10.940 23.749 1.00 36.75 ? 667 THR A CA 1 ATOM 2492 C C . THR A 1 326 ? -29.796 9.543 23.311 1.00 36.51 ? 667 THR A C 1 ATOM 2493 O O . THR A 1 326 ? -30.463 8.823 24.074 1.00 37.11 ? 667 THR A O 1 ATOM 2494 C CB . THR A 1 326 ? -30.409 12.022 23.335 1.00 36.88 ? 667 THR A CB 1 ATOM 2495 O OG1 . THR A 1 326 ? -30.458 12.122 21.909 1.00 38.90 ? 667 THR A OG1 1 ATOM 2496 C CG2 . THR A 1 326 ? -30.056 13.373 23.916 1.00 36.27 ? 667 THR A CG2 1 ATOM 2497 N N . ALA A 1 327 ? -29.397 9.155 22.100 1.00 36.26 ? 668 ALA A N 1 ATOM 2498 C CA . ALA A 1 327 ? -29.615 7.791 21.602 1.00 35.80 ? 668 ALA A CA 1 ATOM 2499 C C . ALA A 1 327 ? -29.050 6.727 22.564 1.00 35.73 ? 668 ALA A C 1 ATOM 2500 O O . ALA A 1 327 ? -29.767 5.796 22.949 1.00 35.45 ? 668 ALA A O 1 ATOM 2501 C CB . ALA A 1 327 ? -29.029 7.643 20.206 1.00 35.50 ? 668 ALA A CB 1 ATOM 2502 N N . ILE A 1 328 ? -27.785 6.890 22.975 1.00 35.54 ? 669 ILE A N 1 ATOM 2503 C CA . ILE A 1 328 ? -27.131 5.936 23.886 1.00 35.66 ? 669 ILE A CA 1 ATOM 2504 C C . ILE A 1 328 ? -27.772 5.896 25.273 1.00 35.93 ? 669 ILE A C 1 ATOM 2505 O O . ILE A 1 328 ? -27.982 4.807 25.817 1.00 35.92 ? 669 ILE A O 1 ATOM 2506 C CB . ILE A 1 328 ? -25.619 6.187 24.072 1.00 35.30 ? 669 ILE A CB 1 ATOM 2507 C CG1 . ILE A 1 328 ? -24.886 6.158 22.742 1.00 35.25 ? 669 ILE A CG1 1 ATOM 2508 C CG2 . ILE A 1 328 ? -25.025 5.123 24.986 1.00 35.60 ? 669 ILE A CG2 1 ATOM 2509 C CD1 . ILE A 1 328 ? -23.446 6.690 22.819 1.00 35.75 ? 669 ILE A CD1 1 ATOM 2510 N N . ALA A 1 329 ? -28.049 7.073 25.845 1.00 36.37 ? 670 ALA A N 1 ATOM 2511 C CA . ALA A 1 329 ? -28.727 7.184 27.148 1.00 36.92 ? 670 ALA A CA 1 ATOM 2512 C C . ALA A 1 329 ? -30.067 6.448 27.145 1.00 37.59 ? 670 ALA A C 1 ATOM 2513 O O . ALA A 1 329 ? -30.367 5.692 28.076 1.00 38.14 ? 670 ALA A O 1 ATOM 2514 C CB . ALA A 1 329 ? -28.927 8.648 27.531 1.00 36.73 ? 670 ALA A CB 1 ATOM 2515 N N . ASN A 1 330 ? -30.854 6.659 26.087 1.00 37.95 ? 671 ASN A N 1 ATOM 2516 C CA . ASN A 1 330 ? -32.135 5.983 25.921 1.00 38.37 ? 671 ASN A CA 1 ATOM 2517 C C . ASN A 1 330 ? -32.046 4.464 25.842 1.00 38.25 ? 671 ASN A C 1 ATOM 2518 O O . ASN A 1 330 ? -32.842 3.770 26.464 1.00 38.26 ? 671 ASN A O 1 ATOM 2519 C CB . ASN A 1 330 ? -32.895 6.562 24.728 1.00 38.74 ? 671 ASN A CB 1 ATOM 2520 C CG . ASN A 1 330 ? -33.694 7.809 25.103 1.00 40.64 ? 671 ASN A CG 1 ATOM 2521 O OD1 . ASN A 1 330 ? -34.593 7.753 25.957 1.00 43.49 ? 671 ASN A OD1 1 ATOM 2522 N ND2 . ASN A 1 330 ? -33.370 8.936 24.475 1.00 40.80 ? 671 ASN A ND2 1 ATOM 2523 N N . LEU A 1 331 ? -31.074 3.954 25.091 1.00 38.34 ? 672 LEU A N 1 ATOM 2524 C CA . LEU A 1 331 ? -30.795 2.516 25.038 1.00 38.64 ? 672 LEU A CA 1 ATOM 2525 C C . LEU A 1 331 ? -30.256 1.976 26.372 1.00 39.71 ? 672 LEU A C 1 ATOM 2526 O O . LEU A 1 331 ? -30.615 0.869 26.779 1.00 38.99 ? 672 LEU A O 1 ATOM 2527 C CB . LEU A 1 331 ? -29.812 2.195 23.893 1.00 38.35 ? 672 LEU A CB 1 ATOM 2528 C CG . LEU A 1 331 ? -29.277 0.775 23.673 1.00 37.92 ? 672 LEU A CG 1 ATOM 2529 C CD1 . LEU A 1 331 ? -30.407 -0.193 23.335 1.00 36.47 ? 672 LEU A CD1 1 ATOM 2530 C CD2 . LEU A 1 331 ? -28.215 0.769 22.575 1.00 37.76 ? 672 LEU A CD2 1 ATOM 2531 N N . LYS A 1 332 ? -29.403 2.757 27.040 1.00 41.17 ? 673 LYS A N 1 ATOM 2532 C CA . LYS A 1 332 ? -28.720 2.305 28.263 1.00 43.24 ? 673 LYS A CA 1 ATOM 2533 C C . LYS A 1 332 ? -29.690 2.089 29.415 1.00 44.04 ? 673 LYS A C 1 ATOM 2534 O O . LYS A 1 332 ? -29.413 1.306 30.325 1.00 44.45 ? 673 LYS A O 1 ATOM 2535 C CB . LYS A 1 332 ? -27.610 3.278 28.689 1.00 43.53 ? 673 LYS A CB 1 ATOM 2536 C CG . LYS A 1 332 ? -26.328 3.221 27.846 1.00 45.25 ? 673 LYS A CG 1 ATOM 2537 C CD . LYS A 1 332 ? -25.519 1.958 28.118 1.00 48.23 ? 673 LYS A CD 1 ATOM 2538 C CE . LYS A 1 332 ? -24.339 1.810 27.162 1.00 48.93 ? 673 LYS A CE 1 ATOM 2539 N NZ . LYS A 1 332 ? -23.319 2.874 27.354 1.00 51.37 ? 673 LYS A NZ 1 ATOM 2540 N N . LYS A 1 333 ? -30.830 2.768 29.360 1.00 45.09 ? 674 LYS A N 1 ATOM 2541 C CA . LYS A 1 333 ? -31.863 2.602 30.377 1.00 46.45 ? 674 LYS A CA 1 ATOM 2542 C C . LYS A 1 333 ? -32.639 1.282 30.257 1.00 46.35 ? 674 LYS A C 1 ATOM 2543 O O . LYS A 1 333 ? -33.428 0.945 31.134 1.00 46.61 ? 674 LYS A O 1 ATOM 2544 C CB . LYS A 1 333 ? -32.782 3.846 30.464 1.00 46.50 ? 674 LYS A CB 1 ATOM 2545 C CG . LYS A 1 333 ? -33.909 3.927 29.451 1.00 47.46 ? 674 LYS A CG 1 ATOM 2546 C CD . LYS A 1 333 ? -34.602 5.289 29.533 1.00 48.11 ? 674 LYS A CD 1 ATOM 2547 C CE . LYS A 1 333 ? -35.682 5.439 28.455 1.00 51.90 ? 674 LYS A CE 1 ATOM 2548 N NZ . LYS A 1 333 ? -36.807 4.445 28.599 1.00 53.54 ? 674 LYS A NZ 1 ATOM 2549 N N . CYS A 1 334 ? -32.380 0.521 29.199 1.00 46.56 ? 675 CYS A N 1 ATOM 2550 C CA . CYS A 1 334 ? -32.847 -0.857 29.121 1.00 47.07 ? 675 CYS A CA 1 ATOM 2551 C C . CYS A 1 334 ? -31.971 -1.812 29.931 1.00 48.00 ? 675 CYS A C 1 ATOM 2552 O O . CYS A 1 334 ? -32.457 -2.837 30.423 1.00 48.56 ? 675 CYS A O 1 ATOM 2553 C CB . CYS A 1 334 ? -32.903 -1.341 27.673 1.00 46.47 ? 675 CYS A CB 1 ATOM 2554 S SG . CYS A 1 334 ? -34.266 -0.693 26.718 1.00 45.27 ? 675 CYS A SG 1 ATOM 2555 N N . SER A 1 335 ? -30.685 -1.488 30.052 1.00 48.91 ? 676 SER A N 1 ATOM 2556 C CA . SER A 1 335 ? -29.719 -2.376 30.717 1.00 49.99 ? 676 SER A CA 1 ATOM 2557 C C . SER A 1 335 ? -29.582 -2.082 32.209 1.00 50.26 ? 676 SER A C 1 ATOM 2558 O O . SER A 1 335 ? -30.065 -2.849 33.046 1.00 50.72 ? 676 SER A O 1 ATOM 2559 C CB . SER A 1 335 ? -28.344 -2.308 30.039 1.00 50.26 ? 676 SER A CB 1 ATOM 2560 O OG . SER A 1 335 ? -28.247 -3.241 28.966 1.00 51.31 ? 676 SER A OG 1 ATOM 2561 N N . LEU A 1 340 ? -28.770 7.410 38.195 1.00 68.97 ? 681 LEU A N 1 ATOM 2562 C CA . LEU A 1 340 ? -28.188 6.540 37.173 1.00 68.97 ? 681 LEU A CA 1 ATOM 2563 C C . LEU A 1 340 ? -27.101 7.282 36.367 1.00 68.54 ? 681 LEU A C 1 ATOM 2564 O O . LEU A 1 340 ? -26.812 6.922 35.212 1.00 68.54 ? 681 LEU A O 1 ATOM 2565 C CB . LEU A 1 340 ? -29.290 5.983 36.246 1.00 69.24 ? 681 LEU A CB 1 ATOM 2566 C CG . LEU A 1 340 ? -29.146 4.586 35.614 1.00 69.51 ? 681 LEU A CG 1 ATOM 2567 C CD1 . LEU A 1 340 ? -29.732 3.506 36.526 1.00 69.60 ? 681 LEU A CD1 1 ATOM 2568 C CD2 . LEU A 1 340 ? -29.813 4.536 34.235 1.00 69.28 ? 681 LEU A CD2 1 ATOM 2569 N N . GLU A 1 341 ? -26.508 8.315 36.980 1.00 67.71 ? 682 GLU A N 1 ATOM 2570 C CA . GLU A 1 341 ? -25.384 9.053 36.374 1.00 66.77 ? 682 GLU A CA 1 ATOM 2571 C C . GLU A 1 341 ? -24.053 8.719 37.074 1.00 65.48 ? 682 GLU A C 1 ATOM 2572 O O . GLU A 1 341 ? -23.742 9.272 38.143 1.00 65.56 ? 682 GLU A O 1 ATOM 2573 C CB . GLU A 1 341 ? -25.635 10.568 36.382 1.00 67.12 ? 682 GLU A CB 1 ATOM 2574 C CG . GLU A 1 341 ? -24.589 11.367 35.593 1.00 68.57 ? 682 GLU A CG 1 ATOM 2575 C CD . GLU A 1 341 ? -24.398 12.793 36.110 1.00 70.49 ? 682 GLU A CD 1 ATOM 2576 O OE1 . GLU A 1 341 ? -24.293 12.976 37.346 1.00 71.21 ? 682 GLU A OE1 1 ATOM 2577 O OE2 . GLU A 1 341 ? -24.335 13.728 35.275 1.00 70.89 ? 682 GLU A OE2 1 ATOM 2578 N N . ALA A 1 342 ? -23.277 7.817 36.462 1.00 63.37 ? 683 ALA A N 1 ATOM 2579 C CA . ALA A 1 342 ? -22.045 7.302 37.072 1.00 60.95 ? 683 ALA A CA 1 ATOM 2580 C C . ALA A 1 342 ? -21.065 6.705 36.060 1.00 59.23 ? 683 ALA A C 1 ATOM 2581 O O . ALA A 1 342 ? -21.458 6.278 34.970 1.00 58.82 ? 683 ALA A O 1 ATOM 2582 C CB . ALA A 1 342 ? -22.380 6.257 38.167 1.00 61.06 ? 683 ALA A CB 1 ATOM 2583 N N . CYS A 1 343 ? -19.786 6.700 36.440 1.00 56.24 ? 684 CYS A N 1 ATOM 2584 C CA . CYS A 1 343 ? -18.782 5.830 35.825 1.00 55.63 ? 684 CYS A CA 1 ATOM 2585 C C . CYS A 1 343 ? -19.108 4.355 36.168 1.00 56.05 ? 684 CYS A C 1 ATOM 2586 O O . CYS A 1 343 ? -19.347 4.019 37.336 1.00 56.31 ? 684 CYS A O 1 ATOM 2587 C CB . CYS A 1 343 ? -17.377 6.239 36.299 1.00 54.15 ? 684 CYS A CB 1 ATOM 2588 S SG . CYS A 1 343 ? -15.981 5.228 35.716 1.00 50.59 ? 684 CYS A SG 1 ATOM 2589 N N . ALA A 1 344 ? -19.135 3.496 35.145 1.00 56.43 ? 685 ALA A N 1 ATOM 2590 C CA . ALA A 1 344 ? -19.524 2.084 35.280 1.00 56.94 ? 685 ALA A CA 1 ATOM 2591 C C . ALA A 1 344 ? -18.542 1.248 36.101 1.00 57.36 ? 685 ALA A C 1 ATOM 2592 O O . ALA A 1 344 ? -18.875 0.143 36.549 1.00 57.56 ? 685 ALA A O 1 ATOM 2593 C CB . ALA A 1 344 ? -19.729 1.451 33.899 1.00 56.91 ? 685 ALA A CB 1 ATOM 2594 N N . PHE A 1 345 ? -17.338 1.775 36.295 1.00 57.70 ? 686 PHE A N 1 ATOM 2595 C CA . PHE A 1 345 ? -16.292 1.058 37.017 1.00 58.22 ? 686 PHE A CA 1 ATOM 2596 C C . PHE A 1 345 ? -16.066 1.668 38.403 1.00 58.76 ? 686 PHE A C 1 ATOM 2597 O O . PHE A 1 345 ? -14.937 1.942 38.810 1.00 59.19 ? 686 PHE A O 1 ATOM 2598 C CB . PHE A 1 345 ? -14.993 1.030 36.198 1.00 57.94 ? 686 PHE A CB 1 ATOM 2599 C CG . PHE A 1 345 ? -15.203 0.751 34.730 1.00 57.50 ? 686 PHE A CG 1 ATOM 2600 C CD1 . PHE A 1 345 ? -15.551 -0.522 34.290 1.00 57.21 ? 686 PHE A CD1 1 ATOM 2601 C CD2 . PHE A 1 345 ? -15.053 1.765 33.791 1.00 56.70 ? 686 PHE A CD2 1 ATOM 2602 C CE1 . PHE A 1 345 ? -15.747 -0.775 32.936 1.00 57.24 ? 686 PHE A CE1 1 ATOM 2603 C CE2 . PHE A 1 345 ? -15.247 1.521 32.438 1.00 57.02 ? 686 PHE A CE2 1 ATOM 2604 C CZ . PHE A 1 345 ? -15.593 0.251 32.008 1.00 57.22 ? 686 PHE A CZ 1 HETATM 2605 C C1 . NAG B 2 . ? -35.342 6.514 20.590 1.00 48.42 ? 1 NAG A C1 1 HETATM 2606 C C2 . NAG B 2 . ? -34.306 7.366 19.846 1.00 50.31 ? 1 NAG A C2 1 HETATM 2607 C C3 . NAG B 2 . ? -33.863 8.576 20.677 1.00 52.09 ? 1 NAG A C3 1 HETATM 2608 C C4 . NAG B 2 . ? -35.076 9.347 21.209 1.00 54.27 ? 1 NAG A C4 1 HETATM 2609 C C5 . NAG B 2 . ? -35.951 8.370 22.013 1.00 53.35 ? 1 NAG A C5 1 HETATM 2610 C C6 . NAG B 2 . ? -37.186 9.028 22.627 1.00 53.50 ? 1 NAG A C6 1 HETATM 2611 C C7 . NAG B 2 . ? -32.655 6.465 18.272 1.00 47.39 ? 1 NAG A C7 1 HETATM 2612 C C8 . NAG B 2 . ? -31.435 5.612 18.068 1.00 47.19 ? 1 NAG A C8 1 HETATM 2613 N N2 . NAG B 2 . ? -33.170 6.528 19.497 1.00 48.22 ? 1 NAG A N2 1 HETATM 2614 O O3 . NAG B 2 . ? -33.034 9.427 19.917 1.00 52.27 ? 1 NAG A O3 1 HETATM 2615 O O4 . NAG B 2 . ? -34.654 10.436 22.020 1.00 58.24 ? 1 NAG A O4 1 HETATM 2616 O O5 . NAG B 2 . ? -36.374 7.295 21.187 1.00 51.01 ? 1 NAG A O5 1 HETATM 2617 O O6 . NAG B 2 . ? -37.872 9.754 21.628 1.00 54.61 ? 1 NAG A O6 1 HETATM 2618 O O7 . NAG B 2 . ? -33.130 7.072 17.321 1.00 47.23 ? 1 NAG A O7 1 HETATM 2619 C C1 . NAG C 2 . ? -35.058 11.734 21.514 1.00 61.05 ? 2 NAG A C1 1 HETATM 2620 C C2 . NAG C 2 . ? -35.055 12.760 22.661 1.00 62.27 ? 2 NAG A C2 1 HETATM 2621 C C3 . NAG C 2 . ? -35.419 14.162 22.169 1.00 63.45 ? 2 NAG A C3 1 HETATM 2622 C C4 . NAG C 2 . ? -34.621 14.561 20.929 1.00 64.03 ? 2 NAG A C4 1 HETATM 2623 C C5 . NAG C 2 . ? -34.565 13.443 19.878 1.00 63.28 ? 2 NAG A C5 1 HETATM 2624 C C6 . NAG C 2 . ? -33.545 13.770 18.787 1.00 63.33 ? 2 NAG A C6 1 HETATM 2625 C C7 . NAG C 2 . ? -35.451 11.858 24.891 1.00 63.23 ? 2 NAG A C7 1 HETATM 2626 C C8 . NAG C 2 . ? -36.396 11.054 25.740 1.00 62.55 ? 2 NAG A C8 1 HETATM 2627 N N2 . NAG C 2 . ? -35.933 12.372 23.755 1.00 62.25 ? 2 NAG A N2 1 HETATM 2628 O O3 . NAG C 2 . ? -35.144 15.112 23.176 1.00 64.67 ? 2 NAG A O3 1 HETATM 2629 O O4 . NAG C 2 . ? -35.188 15.739 20.389 1.00 65.82 ? 2 NAG A O4 1 HETATM 2630 O O5 . NAG C 2 . ? -34.228 12.185 20.454 1.00 61.88 ? 2 NAG A O5 1 HETATM 2631 O O6 . NAG C 2 . ? -32.234 13.757 19.314 1.00 63.94 ? 2 NAG A O6 1 HETATM 2632 O O7 . NAG C 2 . ? -34.284 12.008 25.260 1.00 64.28 ? 2 NAG A O7 1 HETATM 2633 C C1 . NAG D 2 . ? 11.639 9.996 20.861 1.00 54.64 ? 687 NAG A C1 1 HETATM 2634 C C2 . NAG D 2 . ? 11.974 10.264 19.395 1.00 58.70 ? 687 NAG A C2 1 HETATM 2635 C C3 . NAG D 2 . ? 13.076 11.315 19.256 1.00 61.95 ? 687 NAG A C3 1 HETATM 2636 C C4 . NAG D 2 . ? 12.805 12.566 20.095 1.00 64.38 ? 687 NAG A C4 1 HETATM 2637 C C5 . NAG D 2 . ? 12.489 12.153 21.540 1.00 62.17 ? 687 NAG A C5 1 HETATM 2638 C C6 . NAG D 2 . ? 12.047 13.317 22.424 1.00 62.38 ? 687 NAG A C6 1 HETATM 2639 C C7 . NAG D 2 . ? 11.593 8.349 17.908 1.00 56.20 ? 687 NAG A C7 1 HETATM 2640 C C8 . NAG D 2 . ? 12.257 7.256 17.123 1.00 55.42 ? 687 NAG A C8 1 HETATM 2641 N N2 . NAG D 2 . ? 12.388 9.035 18.737 1.00 57.18 ? 687 NAG A N2 1 HETATM 2642 O O3 . NAG D 2 . ? 13.175 11.688 17.900 1.00 63.47 ? 687 NAG A O3 1 HETATM 2643 O O4 . NAG D 2 . ? 13.922 13.445 20.021 1.00 69.85 ? 687 NAG A O4 1 HETATM 2644 O O5 . NAG D 2 . ? 11.436 11.210 21.558 1.00 58.55 ? 687 NAG A O5 1 HETATM 2645 O O6 . NAG D 2 . ? 10.868 13.898 21.912 1.00 63.24 ? 687 NAG A O6 1 HETATM 2646 O O7 . NAG D 2 . ? 10.383 8.562 17.776 1.00 54.75 ? 687 NAG A O7 1 HETATM 2647 C C1 . NAG E 2 . ? 13.581 14.686 19.339 1.00 74.92 ? 688 NAG A C1 1 HETATM 2648 C C2 . NAG E 2 . ? 14.498 15.831 19.836 1.00 77.15 ? 688 NAG A C2 1 HETATM 2649 C C3 . NAG E 2 . ? 14.764 16.974 18.834 1.00 78.41 ? 688 NAG A C3 1 HETATM 2650 C C4 . NAG E 2 . ? 14.649 16.558 17.365 1.00 78.88 ? 688 NAG A C4 1 HETATM 2651 C C5 . NAG E 2 . ? 13.371 15.735 17.184 1.00 78.67 ? 688 NAG A C5 1 HETATM 2652 C C6 . NAG E 2 . ? 13.030 15.488 15.706 1.00 79.09 ? 688 NAG A C6 1 HETATM 2653 C C7 . NAG E 2 . ? 14.282 16.072 22.292 1.00 78.41 ? 688 NAG A C7 1 HETATM 2654 C C8 . NAG E 2 . ? 13.446 16.650 23.400 1.00 78.69 ? 688 NAG A C8 1 HETATM 2655 N N2 . NAG E 2 . ? 13.931 16.417 21.047 1.00 77.84 ? 688 NAG A N2 1 HETATM 2656 O O3 . NAG E 2 . ? 16.046 17.533 19.055 1.00 78.75 ? 688 NAG A O3 1 HETATM 2657 O O4 . NAG E 2 . ? 14.675 17.700 16.529 1.00 79.68 ? 688 NAG A O4 1 HETATM 2658 O O5 . NAG E 2 . ? 13.555 14.533 17.921 1.00 77.08 ? 688 NAG A O5 1 HETATM 2659 O O6 . NAG E 2 . ? 12.572 14.174 15.454 1.00 79.80 ? 688 NAG A O6 1 HETATM 2660 O O7 . NAG E 2 . ? 15.226 15.325 22.565 1.00 78.67 ? 688 NAG A O7 1 HETATM 2661 C C1 . NAG F 2 . ? -18.357 4.313 1.182 1.00 32.38 ? 689 NAG A C1 1 HETATM 2662 C C2 . NAG F 2 . ? -18.315 5.770 0.694 1.00 35.94 ? 689 NAG A C2 1 HETATM 2663 C C3 . NAG F 2 . ? -17.371 5.945 -0.498 1.00 38.10 ? 689 NAG A C3 1 HETATM 2664 C C4 . NAG F 2 . ? -15.987 5.309 -0.263 1.00 39.69 ? 689 NAG A C4 1 HETATM 2665 C C5 . NAG F 2 . ? -16.119 3.918 0.404 1.00 36.47 ? 689 NAG A C5 1 HETATM 2666 C C6 . NAG F 2 . ? -14.788 3.372 0.918 1.00 35.04 ? 689 NAG A C6 1 HETATM 2667 C C7 . NAG F 2 . ? -20.146 7.348 0.966 1.00 35.62 ? 689 NAG A C7 1 HETATM 2668 C C8 . NAG F 2 . ? -21.488 7.826 0.506 1.00 35.62 ? 689 NAG A C8 1 HETATM 2669 N N2 . NAG F 2 . ? -19.631 6.289 0.354 1.00 35.77 ? 689 NAG A N2 1 HETATM 2670 O O3 . NAG F 2 . ? -17.235 7.331 -0.706 1.00 39.28 ? 689 NAG A O3 1 HETATM 2671 O O4 . NAG F 2 . ? -15.295 5.220 -1.498 1.00 44.15 ? 689 NAG A O4 1 HETATM 2672 O O5 . NAG F 2 . ? -17.035 3.933 1.491 1.00 32.64 ? 689 NAG A O5 1 HETATM 2673 O O6 . NAG F 2 . ? -14.290 4.226 1.923 1.00 34.83 ? 689 NAG A O6 1 HETATM 2674 O O7 . NAG F 2 . ? -19.578 7.933 1.879 1.00 36.77 ? 689 NAG A O7 1 HETATM 2675 C C1 . NAG G 2 . ? -13.990 5.843 -1.439 1.00 48.65 ? 690 NAG A C1 1 HETATM 2676 C C2 . NAG G 2 . ? -13.010 5.086 -2.360 1.00 51.04 ? 690 NAG A C2 1 HETATM 2677 C C3 . NAG G 2 . ? -11.704 5.859 -2.618 1.00 52.42 ? 690 NAG A C3 1 HETATM 2678 C C4 . NAG G 2 . ? -12.001 7.310 -2.990 1.00 53.45 ? 690 NAG A C4 1 HETATM 2679 C C5 . NAG G 2 . ? -12.849 7.933 -1.872 1.00 52.57 ? 690 NAG A C5 1 HETATM 2680 C C6 . NAG G 2 . ? -13.158 9.399 -2.138 1.00 52.15 ? 690 NAG A C6 1 HETATM 2681 C C7 . NAG G 2 . ? -12.875 2.612 -2.516 1.00 52.70 ? 690 NAG A C7 1 HETATM 2682 C C8 . NAG G 2 . ? -12.165 1.412 -1.960 1.00 53.01 ? 690 NAG A C8 1 HETATM 2683 N N2 . NAG G 2 . ? -12.705 3.758 -1.837 1.00 51.63 ? 690 NAG A N2 1 HETATM 2684 O O3 . NAG G 2 . ? -10.987 5.266 -3.679 1.00 52.10 ? 690 NAG A O3 1 HETATM 2685 O O4 . NAG G 2 . ? -10.806 8.030 -3.273 1.00 54.96 ? 690 NAG A O4 1 HETATM 2686 O O5 . NAG G 2 . ? -14.080 7.226 -1.754 1.00 51.24 ? 690 NAG A O5 1 HETATM 2687 O O6 . NAG G 2 . ? -13.767 9.936 -0.988 1.00 52.74 ? 690 NAG A O6 1 HETATM 2688 O O7 . NAG G 2 . ? -13.569 2.483 -3.530 1.00 52.95 ? 690 NAG A O7 1 HETATM 2689 FE FE . FE H 3 . ? -17.221 2.290 15.042 1.00 28.40 ? 691 FE A FE 1 HETATM 2690 C C . CO3 I 4 . ? -18.782 0.175 15.310 1.00 20.11 ? 692 CO3 A C 1 HETATM 2691 O O1 . CO3 I 4 . ? -17.569 0.123 15.749 1.00 19.97 ? 692 CO3 A O1 1 HETATM 2692 O O2 . CO3 I 4 . ? -19.201 1.287 14.795 1.00 21.74 ? 692 CO3 A O2 1 HETATM 2693 O O3 . CO3 I 4 . ? -19.565 -0.840 15.382 1.00 19.56 ? 692 CO3 A O3 1 HETATM 2694 ZN ZN . ZN J 5 . ? -17.088 23.214 24.206 1.00 27.41 ? 3 ZN A ZN 1 HETATM 2695 ZN ZN . ZN K 5 . ? -28.575 10.700 7.256 1.00 34.77 ? 4 ZN A ZN 1 HETATM 2696 S S . SO4 L 6 . ? -33.095 -6.431 -4.831 0.50 36.33 ? 5 SO4 A S 1 HETATM 2697 O O1 . SO4 L 6 . ? -32.685 -6.509 -6.231 0.50 36.55 ? 5 SO4 A O1 1 HETATM 2698 O O2 . SO4 L 6 . ? -34.453 -5.907 -4.745 0.50 36.37 ? 5 SO4 A O2 1 HETATM 2699 O O3 . SO4 L 6 . ? -33.037 -7.763 -4.229 0.50 36.52 ? 5 SO4 A O3 1 HETATM 2700 O O4 . SO4 L 6 . ? -32.190 -5.530 -4.136 0.50 35.87 ? 5 SO4 A O4 1 HETATM 2701 N N9 . 5CH M 7 . ? -21.726 17.910 18.073 1.00 57.38 ? 693 5CH A N9 1 HETATM 2702 C C2 . 5CH M 7 . ? -24.801 15.242 13.330 1.00 57.86 ? 693 5CH A C2 1 HETATM 2703 C C4 . 5CH M 7 . ? -23.571 16.795 14.803 1.00 57.54 ? 693 5CH A C4 1 HETATM 2704 C C5 . 5CH M 7 . ? -22.975 17.369 13.672 1.00 57.63 ? 693 5CH A C5 1 HETATM 2705 C C6 . 5CH M 7 . ? -23.276 16.882 12.386 1.00 58.65 ? 693 5CH A C6 1 HETATM 2706 O O24 . 5CH M 7 . ? -23.257 15.250 9.931 1.00 60.08 ? 693 5CH A O24 1 HETATM 2707 S S21 . 5CH M 7 . ? -24.499 15.298 10.686 1.00 58.86 ? 693 5CH A S21 1 HETATM 2708 O O23 . 5CH M 7 . ? -25.097 13.970 10.681 1.00 59.82 ? 693 5CH A O23 1 HETATM 2709 C C22 . 5CH M 7 . ? -25.549 16.410 9.997 1.00 58.86 ? 693 5CH A C22 1 HETATM 2710 C C1 . 5CH M 7 . ? -24.183 15.811 12.194 1.00 58.95 ? 693 5CH A C1 1 HETATM 2711 C C3 . 5CH M 7 . ? -24.496 15.736 14.619 1.00 58.11 ? 693 5CH A C3 1 HETATM 2712 C C7 . 5CH M 7 . ? -23.257 17.333 16.180 1.00 57.35 ? 693 5CH A C7 1 HETATM 2713 C C12 . 5CH M 7 . ? -24.314 17.819 16.942 1.00 56.70 ? 693 5CH A C12 1 HETATM 2714 C C11 . 5CH M 7 . ? -24.071 18.326 18.221 1.00 57.09 ? 693 5CH A C11 1 HETATM 2715 CL CL20 . 5CH M 7 . ? -25.464 18.924 19.172 1.00 58.30 ? 693 5CH A CL20 1 HETATM 2716 C C10 . 5CH M 7 . ? -22.782 18.371 18.775 1.00 57.14 ? 693 5CH A C10 1 HETATM 2717 C C8 . 5CH M 7 . ? -21.884 17.401 16.815 1.00 57.28 ? 693 5CH A C8 1 HETATM 2718 C C13 . 5CH M 7 . ? -20.683 16.880 16.115 1.00 56.84 ? 693 5CH A C13 1 HETATM 2719 C C18 . 5CH M 7 . ? -19.534 17.648 15.967 1.00 56.96 ? 693 5CH A C18 1 HETATM 2720 C C17 . 5CH M 7 . ? -18.441 17.093 15.299 1.00 57.09 ? 693 5CH A C17 1 HETATM 2721 C C16 . 5CH M 7 . ? -18.528 15.783 14.822 1.00 56.95 ? 693 5CH A C16 1 HETATM 2722 C C19 . 5CH M 7 . ? -17.343 15.194 14.111 1.00 56.95 ? 693 5CH A C19 1 HETATM 2723 N N15 . 5CH M 7 . ? -19.662 15.042 14.991 1.00 57.01 ? 693 5CH A N15 1 HETATM 2724 C C14 . 5CH M 7 . ? -20.725 15.562 15.629 1.00 56.62 ? 693 5CH A C14 1 HETATM 2725 O O . HOH N 8 . ? -20.305 -10.576 14.248 1.00 17.53 ? 694 HOH A O 1 HETATM 2726 O O . HOH N 8 . ? -14.714 3.458 11.977 1.00 17.96 ? 695 HOH A O 1 HETATM 2727 O O . HOH N 8 . ? -18.400 5.776 16.451 1.00 18.02 ? 696 HOH A O 1 HETATM 2728 O O . HOH N 8 . ? -4.286 -0.132 11.222 1.00 24.91 ? 697 HOH A O 1 HETATM 2729 O O . HOH N 8 . ? -5.799 1.780 19.847 1.00 16.20 ? 698 HOH A O 1 HETATM 2730 O O . HOH N 8 . ? -18.843 5.688 5.718 1.00 19.92 ? 699 HOH A O 1 HETATM 2731 O O . HOH N 8 . ? -8.965 0.152 20.848 1.00 20.39 ? 700 HOH A O 1 HETATM 2732 O O . HOH N 8 . ? -6.290 -0.524 21.298 1.00 15.80 ? 701 HOH A O 1 HETATM 2733 O O . HOH N 8 . ? -6.047 -8.431 19.166 1.00 26.16 ? 702 HOH A O 1 HETATM 2734 O O . HOH N 8 . ? -26.489 -14.338 4.461 1.00 22.19 ? 703 HOH A O 1 HETATM 2735 O O . HOH N 8 . ? -35.362 -1.896 4.206 1.00 21.12 ? 704 HOH A O 1 HETATM 2736 O O . HOH N 8 . ? -17.619 -4.684 23.540 1.00 22.73 ? 705 HOH A O 1 HETATM 2737 O O . HOH N 8 . ? -12.227 -0.534 13.992 1.00 22.40 ? 706 HOH A O 1 HETATM 2738 O O . HOH N 8 . ? -4.177 9.184 30.059 1.00 17.21 ? 707 HOH A O 1 HETATM 2739 O O . HOH N 8 . ? -28.402 0.932 5.563 1.00 18.56 ? 708 HOH A O 1 HETATM 2740 O O . HOH N 8 . ? -13.985 -1.593 7.874 1.00 25.34 ? 709 HOH A O 1 HETATM 2741 O O . HOH N 8 . ? -28.242 -11.975 3.893 1.00 22.35 ? 710 HOH A O 1 HETATM 2742 O O . HOH N 8 . ? -13.544 -4.830 23.418 1.00 21.62 ? 711 HOH A O 1 HETATM 2743 O O . HOH N 8 . ? -26.208 -12.366 -2.987 1.00 28.54 ? 712 HOH A O 1 HETATM 2744 O O . HOH N 8 . ? -12.023 -13.019 10.760 1.00 21.63 ? 713 HOH A O 1 HETATM 2745 O O . HOH N 8 . ? -20.312 9.502 35.185 1.00 68.48 ? 714 HOH A O 1 HETATM 2746 O O . HOH N 8 . ? -32.170 4.643 5.782 1.00 25.06 ? 715 HOH A O 1 HETATM 2747 O O . HOH N 8 . ? -8.849 -1.136 18.079 1.00 24.73 ? 716 HOH A O 1 HETATM 2748 O O . HOH N 8 . ? -25.443 0.061 11.548 1.00 21.64 ? 717 HOH A O 1 HETATM 2749 O O . HOH N 8 . ? -24.248 7.294 -1.665 1.00 30.37 ? 718 HOH A O 1 HETATM 2750 O O . HOH N 8 . ? -10.081 -4.654 15.013 1.00 32.27 ? 719 HOH A O 1 HETATM 2751 O O . HOH N 8 . ? -8.949 -6.575 19.329 1.00 18.76 ? 720 HOH A O 1 HETATM 2752 O O . HOH N 8 . ? -9.209 -4.363 17.484 1.00 22.90 ? 721 HOH A O 1 HETATM 2753 O O . HOH N 8 . ? 0.432 4.243 8.188 1.00 28.82 ? 722 HOH A O 1 HETATM 2754 O O . HOH N 8 . ? -12.415 0.467 9.126 1.00 27.49 ? 723 HOH A O 1 HETATM 2755 O O . HOH N 8 . ? -12.868 0.643 19.733 1.00 25.08 ? 724 HOH A O 1 HETATM 2756 O O . HOH N 8 . ? -11.139 6.064 9.571 1.00 21.83 ? 725 HOH A O 1 HETATM 2757 O O . HOH N 8 . ? -13.295 6.201 12.592 1.00 27.48 ? 726 HOH A O 1 HETATM 2758 O O . HOH N 8 . ? -11.937 -8.539 -2.036 1.00 31.58 ? 727 HOH A O 1 HETATM 2759 O O . HOH N 8 . ? -7.821 -3.612 33.431 1.00 22.88 ? 728 HOH A O 1 HETATM 2760 O O . HOH N 8 . ? -12.312 -4.703 11.782 1.00 22.54 ? 729 HOH A O 1 HETATM 2761 O O . HOH N 8 . ? -7.942 -7.769 30.726 1.00 25.47 ? 730 HOH A O 1 HETATM 2762 O O . HOH N 8 . ? -12.575 15.080 6.726 1.00 56.19 ? 731 HOH A O 1 HETATM 2763 O O . HOH N 8 . ? 1.854 -2.035 10.582 1.00 42.15 ? 732 HOH A O 1 HETATM 2764 O O . HOH N 8 . ? -14.925 15.389 28.299 1.00 28.49 ? 733 HOH A O 1 HETATM 2765 O O . HOH N 8 . ? -30.566 7.131 5.038 1.00 27.17 ? 734 HOH A O 1 HETATM 2766 O O . HOH N 8 . ? -10.176 2.103 15.283 1.00 25.26 ? 735 HOH A O 1 HETATM 2767 O O . HOH N 8 . ? -3.197 7.496 32.344 1.00 31.93 ? 736 HOH A O 1 HETATM 2768 O O . HOH N 8 . ? -24.364 -19.151 22.775 1.00 29.74 ? 737 HOH A O 1 HETATM 2769 O O . HOH N 8 . ? -12.970 -3.177 14.163 1.00 33.66 ? 738 HOH A O 1 HETATM 2770 O O . HOH N 8 . ? -11.403 -1.162 21.034 1.00 24.41 ? 739 HOH A O 1 HETATM 2771 O O . HOH N 8 . ? -32.516 -15.475 -4.350 1.00 25.56 ? 740 HOH A O 1 HETATM 2772 O O . HOH N 8 . ? -32.083 4.979 21.456 1.00 29.26 ? 741 HOH A O 1 HETATM 2773 O O . HOH N 8 . ? -3.834 -6.146 31.541 1.00 34.90 ? 742 HOH A O 1 HETATM 2774 O O . HOH N 8 . ? -31.736 -10.228 19.462 1.00 29.50 ? 743 HOH A O 1 HETATM 2775 O O . HOH N 8 . ? -36.830 -2.255 -2.063 1.00 34.63 ? 744 HOH A O 1 HETATM 2776 O O . HOH N 8 . ? -9.126 -0.317 15.403 1.00 26.54 ? 745 HOH A O 1 HETATM 2777 O O . HOH N 8 . ? -0.441 -8.194 14.507 1.00 33.45 ? 746 HOH A O 1 HETATM 2778 O O . HOH N 8 . ? 10.119 8.727 37.126 1.00 33.61 ? 747 HOH A O 1 HETATM 2779 O O . HOH N 8 . ? -14.585 4.798 7.972 1.00 29.29 ? 748 HOH A O 1 HETATM 2780 O O . HOH N 8 . ? -30.289 -12.743 19.247 1.00 35.69 ? 749 HOH A O 1 HETATM 2781 O O . HOH N 8 . ? -14.570 -14.863 -1.440 1.00 46.07 ? 750 HOH A O 1 HETATM 2782 O O . HOH N 8 . ? -15.270 -4.121 26.417 1.00 26.01 ? 751 HOH A O 1 HETATM 2783 O O . HOH N 8 . ? -33.671 3.297 22.344 1.00 36.37 ? 752 HOH A O 1 HETATM 2784 O O . HOH N 8 . ? -18.496 0.282 27.113 1.00 36.48 ? 753 HOH A O 1 HETATM 2785 O O . HOH N 8 . ? 0.002 -5.195 30.168 1.00 39.09 ? 754 HOH A O 1 HETATM 2786 O O . HOH N 8 . ? -6.942 -10.248 30.655 1.00 37.25 ? 755 HOH A O 1 HETATM 2787 O O . HOH N 8 . ? -21.763 2.585 24.493 1.00 28.70 ? 756 HOH A O 1 HETATM 2788 O O . HOH N 8 . ? -15.042 13.493 30.361 1.00 32.05 ? 757 HOH A O 1 HETATM 2789 O O . HOH N 8 . ? -18.328 -20.001 11.491 1.00 39.50 ? 758 HOH A O 1 HETATM 2790 O O . HOH N 8 . ? -0.603 9.968 8.501 1.00 40.01 ? 759 HOH A O 1 HETATM 2791 O O . HOH N 8 . ? -32.604 -16.820 9.177 1.00 28.80 ? 760 HOH A O 1 HETATM 2792 O O . HOH N 8 . ? -26.966 -1.693 25.298 1.00 32.98 ? 761 HOH A O 1 HETATM 2793 O O . HOH N 8 . ? -11.135 -11.636 14.089 1.00 35.54 ? 762 HOH A O 1 HETATM 2794 O O . HOH N 8 . ? -6.800 18.048 19.457 1.00 36.09 ? 763 HOH A O 1 HETATM 2795 O O . HOH N 8 . ? -25.011 0.173 24.598 1.00 37.82 ? 764 HOH A O 1 HETATM 2796 O O . HOH N 8 . ? -31.006 7.807 8.164 1.00 38.08 ? 765 HOH A O 1 HETATM 2797 O O . HOH N 8 . ? -0.696 -3.106 34.857 1.00 33.49 ? 766 HOH A O 1 HETATM 2798 O O . HOH N 8 . ? -24.817 -3.368 -4.243 1.00 32.22 ? 767 HOH A O 1 HETATM 2799 O O . HOH N 8 . ? -20.053 18.950 27.737 1.00 39.32 ? 768 HOH A O 1 HETATM 2800 O O . HOH N 8 . ? -19.870 -11.960 -3.845 1.00 38.80 ? 769 HOH A O 1 HETATM 2801 O O . HOH N 8 . ? -20.804 -19.758 13.810 1.00 29.84 ? 770 HOH A O 1 HETATM 2802 O O . HOH N 8 . ? -25.768 -19.740 10.510 1.00 42.53 ? 771 HOH A O 1 HETATM 2803 O O . HOH N 8 . ? -13.855 6.834 9.448 1.00 26.92 ? 772 HOH A O 1 HETATM 2804 O O . HOH N 8 . ? -7.442 17.833 29.036 1.00 50.80 ? 773 HOH A O 1 HETATM 2805 O O . HOH N 8 . ? -3.672 17.470 29.531 1.00 42.01 ? 774 HOH A O 1 HETATM 2806 O O . HOH N 8 . ? -13.260 12.125 8.576 1.00 42.63 ? 775 HOH A O 1 HETATM 2807 O O . HOH N 8 . ? -1.683 12.997 37.112 1.00 39.96 ? 776 HOH A O 1 HETATM 2808 O O . HOH N 8 . ? -25.949 -4.398 30.615 1.00 65.53 ? 777 HOH A O 1 HETATM 2809 O O . HOH N 8 . ? -14.539 -6.519 30.401 1.00 36.49 ? 778 HOH A O 1 HETATM 2810 O O . HOH N 8 . ? 0.050 -4.055 24.179 1.00 61.59 ? 779 HOH A O 1 HETATM 2811 O O . HOH N 8 . ? -6.572 -7.961 -5.776 1.00 43.99 ? 780 HOH A O 1 HETATM 2812 O O . HOH N 8 . ? -7.797 -13.362 14.544 1.00 41.44 ? 781 HOH A O 1 HETATM 2813 O O . HOH N 8 . ? -9.192 -3.213 1.754 1.00 44.84 ? 782 HOH A O 1 HETATM 2814 O O . HOH N 8 . ? -35.751 -8.515 -3.340 1.00 48.24 ? 783 HOH A O 1 HETATM 2815 O O . HOH N 8 . ? -40.225 -3.329 4.021 1.00 45.38 ? 784 HOH A O 1 HETATM 2816 O O . HOH N 8 . ? -13.995 10.082 26.453 1.00 44.95 ? 785 HOH A O 1 HETATM 2817 O O . HOH N 8 . ? -18.648 -14.823 -4.356 1.00 42.81 ? 786 HOH A O 1 HETATM 2818 O O . HOH N 8 . ? -10.912 17.454 23.682 1.00 37.67 ? 787 HOH A O 1 HETATM 2819 O O . HOH N 8 . ? -10.616 0.424 7.609 1.00 27.98 ? 788 HOH A O 1 HETATM 2820 O O . HOH N 8 . ? -6.517 -5.765 32.189 1.00 33.10 ? 789 HOH A O 1 HETATM 2821 O O . HOH N 8 . ? 0.062 -6.047 12.806 1.00 37.58 ? 790 HOH A O 1 HETATM 2822 O O . HOH N 8 . ? -27.363 8.126 -2.450 1.00 47.37 ? 791 HOH A O 1 HETATM 2823 O O . HOH N 8 . ? -35.329 -14.126 1.867 1.00 32.73 ? 792 HOH A O 1 HETATM 2824 O O . HOH N 8 . ? -9.855 -13.382 12.352 1.00 40.89 ? 793 HOH A O 1 HETATM 2825 O O . HOH N 8 . ? -18.510 7.649 4.241 1.00 46.42 ? 794 HOH A O 1 HETATM 2826 O O . HOH N 8 . ? -18.965 4.532 32.283 1.00 37.87 ? 795 HOH A O 1 HETATM 2827 O O . HOH N 8 . ? -14.962 -18.244 3.946 1.00 38.01 ? 796 HOH A O 1 HETATM 2828 O O . HOH N 8 . ? -1.528 -4.781 32.698 1.00 39.11 ? 797 HOH A O 1 HETATM 2829 O O . HOH N 8 . ? 4.540 16.558 13.879 1.00 49.86 ? 798 HOH A O 1 HETATM 2830 O O . HOH N 8 . ? -13.496 12.125 5.412 1.00 38.86 ? 799 HOH A O 1 HETATM 2831 O O . HOH N 8 . ? -22.111 4.138 -0.756 1.00 42.03 ? 800 HOH A O 1 HETATM 2832 O O . HOH N 8 . ? 13.682 -0.060 21.029 1.00 44.49 ? 801 HOH A O 1 HETATM 2833 O O . HOH N 8 . ? 1.267 -1.549 32.340 1.00 44.63 ? 802 HOH A O 1 HETATM 2834 O O . HOH N 8 . ? -20.833 -20.966 16.301 1.00 41.25 ? 803 HOH A O 1 HETATM 2835 O O . HOH N 8 . ? -10.659 -9.003 4.476 1.00 41.73 ? 804 HOH A O 1 HETATM 2836 O O . HOH N 8 . ? -15.728 -21.455 12.281 1.00 51.26 ? 805 HOH A O 1 HETATM 2837 O O . HOH N 8 . ? -10.594 -17.571 13.971 1.00 41.06 ? 806 HOH A O 1 HETATM 2838 O O . HOH N 8 . ? -21.339 -18.307 1.663 1.00 48.29 ? 807 HOH A O 1 HETATM 2839 O O . HOH N 8 . ? -30.029 9.187 12.423 1.00 55.33 ? 808 HOH A O 1 HETATM 2840 O O . HOH N 8 . ? -27.153 10.555 12.471 1.00 29.62 ? 809 HOH A O 1 HETATM 2841 O O . HOH N 8 . ? 7.217 10.722 19.777 1.00 50.39 ? 810 HOH A O 1 HETATM 2842 O O . HOH N 8 . ? -2.516 16.048 4.682 1.00 62.67 ? 811 HOH A O 1 HETATM 2843 O O . HOH N 8 . ? 15.646 13.574 15.919 1.00 54.85 ? 812 HOH A O 1 HETATM 2844 O O . HOH N 8 . ? 5.037 -0.078 29.317 1.00 45.27 ? 813 HOH A O 1 HETATM 2845 O O . HOH N 8 . ? -27.532 -15.969 0.873 1.00 38.61 ? 814 HOH A O 1 HETATM 2846 O O . HOH N 8 . ? -29.867 10.052 8.189 1.00 24.40 ? 815 HOH A O 1 HETATM 2847 O O . HOH N 8 . ? -28.347 10.164 10.194 1.00 62.87 ? 816 HOH A O 1 HETATM 2848 O O . HOH N 8 . ? -13.832 -3.670 32.827 1.00 46.15 ? 817 HOH A O 1 HETATM 2849 O O . HOH N 8 . ? -21.165 -21.001 6.908 1.00 56.76 ? 818 HOH A O 1 HETATM 2850 O O . HOH N 8 . ? -7.946 -10.360 13.111 1.00 51.04 ? 819 HOH A O 1 HETATM 2851 O O . HOH N 8 . ? -11.311 -3.097 19.033 1.00 35.91 ? 820 HOH A O 1 HETATM 2852 O O . HOH N 8 . ? -5.542 19.991 20.806 1.00 59.90 ? 821 HOH A O 1 HETATM 2853 O O . HOH N 8 . ? -33.385 -15.429 6.194 1.00 61.17 ? 822 HOH A O 1 HETATM 2854 O O . HOH N 8 . ? 9.832 -6.409 19.181 1.00 49.27 ? 823 HOH A O 1 HETATM 2855 O O . HOH N 8 . ? -27.154 -13.137 29.487 1.00 53.85 ? 824 HOH A O 1 HETATM 2856 O O . HOH N 8 . ? -38.429 2.380 10.264 1.00 48.12 ? 825 HOH A O 1 HETATM 2857 O O . HOH N 8 . ? 4.815 16.788 17.747 1.00 55.79 ? 826 HOH A O 1 HETATM 2858 O O . HOH N 8 . ? -16.336 23.518 22.371 1.00 26.08 ? 827 HOH A O 1 HETATM 2859 O O . HOH N 8 . ? -12.412 -1.891 -6.201 1.00 44.01 ? 828 HOH A O 1 HETATM 2860 O O . HOH N 8 . ? -36.650 -5.061 -3.112 1.00 46.08 ? 829 HOH A O 1 HETATM 2861 O O . HOH N 8 . ? -11.876 -3.177 6.578 1.00 38.98 ? 830 HOH A O 1 HETATM 2862 O O . HOH N 8 . ? -28.382 -16.260 5.309 1.00 40.70 ? 831 HOH A O 1 HETATM 2863 O O . HOH N 8 . ? -37.034 -4.837 21.325 1.00 38.43 ? 832 HOH A O 1 HETATM 2864 O O . HOH N 8 . ? -6.482 -19.131 23.482 1.00 43.25 ? 833 HOH A O 1 HETATM 2865 O O . HOH N 8 . ? -6.460 -21.111 20.796 1.00 56.38 ? 834 HOH A O 1 HETATM 2866 O O . HOH N 8 . ? -13.833 -9.895 -5.519 1.00 42.26 ? 835 HOH A O 1 HETATM 2867 O O . HOH N 8 . ? -0.745 19.428 23.006 1.00 46.75 ? 836 HOH A O 1 HETATM 2868 O O . HOH N 8 . ? -34.627 6.034 4.356 1.00 58.77 ? 837 HOH A O 1 HETATM 2869 O O . HOH N 8 . ? -19.308 16.403 28.807 1.00 65.90 ? 838 HOH A O 1 HETATM 2870 O O . HOH N 8 . ? 1.415 15.129 12.437 1.00 47.85 ? 839 HOH A O 1 HETATM 2871 O O . HOH N 8 . ? -20.970 13.033 32.450 1.00 53.84 ? 840 HOH A O 1 HETATM 2872 O O . HOH N 8 . ? 0.664 4.917 32.416 1.00 56.70 ? 841 HOH A O 1 HETATM 2873 O O . HOH N 8 . ? -38.127 -4.540 12.181 1.00 52.60 ? 842 HOH A O 1 HETATM 2874 O O . HOH N 8 . ? -0.182 16.157 30.169 1.00 45.39 ? 843 HOH A O 1 HETATM 2875 O O . HOH N 8 . ? -39.200 -7.047 11.868 1.00 56.13 ? 844 HOH A O 1 HETATM 2876 O O . HOH N 8 . ? -24.405 -2.586 27.227 1.00 59.77 ? 845 HOH A O 1 HETATM 2877 O O . HOH N 8 . ? -32.460 -5.432 28.514 1.00 71.96 ? 846 HOH A O 1 HETATM 2878 O O . HOH N 8 . ? -35.689 -1.958 -3.979 1.00 49.86 ? 847 HOH A O 1 HETATM 2879 O O . HOH N 8 . ? -19.970 -0.716 29.776 1.00 51.35 ? 848 HOH A O 1 HETATM 2880 O O . HOH N 8 . ? -40.153 0.847 7.083 1.00 48.98 ? 849 HOH A O 1 HETATM 2881 O O . HOH N 8 . ? -19.259 -16.727 0.745 1.00 64.37 ? 850 HOH A O 1 HETATM 2882 O O . HOH N 8 . ? -7.086 -17.418 15.994 1.00 57.24 ? 851 HOH A O 1 HETATM 2883 O O . HOH N 8 . ? -24.775 -19.951 1.721 1.00 43.30 ? 852 HOH A O 1 HETATM 2884 O O . HOH N 8 . ? -2.207 12.694 4.911 1.00 46.37 ? 853 HOH A O 1 HETATM 2885 O O . HOH N 8 . ? -8.884 18.885 22.505 1.00 48.78 ? 854 HOH A O 1 HETATM 2886 O O . HOH N 8 . ? -33.396 -9.783 -6.014 1.00 57.31 ? 855 HOH A O 1 HETATM 2887 O O . HOH N 8 . ? -21.900 0.562 1.461 1.00 43.24 ? 856 HOH A O 1 HETATM 2888 O O . HOH N 8 . ? 0.009 19.651 20.176 1.00 46.74 ? 857 HOH A O 1 HETATM 2889 O O . HOH N 8 . ? -27.325 -19.765 2.921 1.00 49.57 ? 858 HOH A O 1 HETATM 2890 O O . HOH N 8 . ? -19.898 -20.061 3.700 1.00 50.04 ? 859 HOH A O 1 HETATM 2891 O O . HOH N 8 . ? -8.771 0.250 3.930 1.00 47.49 ? 860 HOH A O 1 HETATM 2892 O O . HOH N 8 . ? -23.318 -2.709 -6.860 1.00 48.96 ? 861 HOH A O 1 HETATM 2893 O O . HOH N 8 . ? -24.185 -0.180 -7.436 1.00 64.10 ? 862 HOH A O 1 HETATM 2894 O O . HOH N 8 . ? 0.363 20.174 13.707 1.00 54.55 ? 863 HOH A O 1 HETATM 2895 O O . HOH N 8 . ? -5.597 -10.198 6.803 1.00 48.75 ? 864 HOH A O 1 HETATM 2896 O O . HOH N 8 . ? -41.262 -8.658 11.693 1.00 56.55 ? 865 HOH A O 1 HETATM 2897 O O . HOH N 8 . ? -14.084 -16.375 -8.864 1.00 50.62 ? 866 HOH A O 1 HETATM 2898 O O . HOH N 8 . ? -17.428 4.447 39.092 1.00 55.49 ? 867 HOH A O 1 HETATM 2899 O O . HOH N 8 . ? -8.390 15.461 -0.445 1.00 81.34 ? 868 HOH A O 1 HETATM 2900 O O . HOH N 8 . ? -11.559 17.688 13.346 1.00 57.05 ? 869 HOH A O 1 HETATM 2901 O O . HOH N 8 . ? -18.537 -7.323 28.333 1.00 44.80 ? 870 HOH A O 1 HETATM 2902 O O . HOH N 8 . ? -11.909 -18.610 4.363 1.00 48.38 ? 871 HOH A O 1 HETATM 2903 O O . HOH N 8 . ? -2.381 -9.902 13.606 1.00 46.22 ? 872 HOH A O 1 HETATM 2904 O O . HOH N 8 . ? -21.253 9.267 39.431 1.00 54.91 ? 873 HOH A O 1 HETATM 2905 O O . HOH N 8 . ? -27.899 -18.423 6.766 1.00 57.06 ? 874 HOH A O 1 HETATM 2906 O O . HOH N 8 . ? -25.319 -21.525 4.059 1.00 40.12 ? 875 HOH A O 1 HETATM 2907 O O . HOH N 8 . ? -20.998 3.510 31.177 1.00 56.54 ? 876 HOH A O 1 HETATM 2908 O O . HOH N 8 . ? -17.725 19.498 18.393 1.00 41.56 ? 877 HOH A O 1 HETATM 2909 O O . HOH N 8 . ? -41.379 -13.065 18.959 1.00 75.78 ? 878 HOH A O 1 HETATM 2910 O O . HOH N 8 . ? 7.115 14.831 29.485 1.00 56.22 ? 879 HOH A O 1 HETATM 2911 O O . HOH N 8 . ? -5.755 -5.533 -3.266 1.00 56.91 ? 880 HOH A O 1 HETATM 2912 O O . HOH N 8 . ? -16.355 -16.117 1.797 1.00 45.58 ? 881 HOH A O 1 HETATM 2913 O O . HOH N 8 . ? -27.420 12.535 8.458 1.00 47.19 ? 882 HOH A O 1 HETATM 2914 O O . HOH N 8 . ? -3.156 21.508 -1.052 1.00 62.23 ? 883 HOH A O 1 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 TYR 1 342 342 TYR TYR A . n A 1 2 THR 2 343 343 THR THR A . n A 1 3 ARG 3 344 344 ARG ARG A . n A 1 4 VAL 4 345 345 VAL VAL A . n A 1 5 VAL 5 346 346 VAL VAL A . n A 1 6 TRP 6 347 347 TRP TRP A . n A 1 7 CYS 7 348 348 CYS CYS A . n A 1 8 ALA 8 349 349 ALA ALA A . n A 1 9 VAL 9 350 350 VAL VAL A . n A 1 10 GLY 10 351 351 GLY GLY A . n A 1 11 PRO 11 352 352 PRO PRO A . n A 1 12 GLU 12 353 353 GLU GLU A . n A 1 13 GLU 13 354 354 GLU GLU A . n A 1 14 GLN 14 355 355 GLN GLN A . n A 1 15 LYS 15 356 356 LYS LYS A . n A 1 16 LYS 16 357 357 LYS LYS A . n A 1 17 CYS 17 358 358 CYS CYS A . n A 1 18 GLN 18 359 359 GLN GLN A . n A 1 19 GLN 19 360 360 GLN GLN A . n A 1 20 TRP 20 361 361 TRP TRP A . n A 1 21 SER 21 362 362 SER SER A . n A 1 22 GLN 22 363 363 GLN GLN A . n A 1 23 GLN 23 364 364 GLN GLN A . n A 1 24 SER 24 365 365 SER SER A . n A 1 25 GLY 25 366 366 GLY GLY A . n A 1 26 GLN 26 367 367 GLN GLN A . n A 1 27 ASN 27 368 368 ASN ASN A . n A 1 28 VAL 28 369 369 VAL VAL A . n A 1 29 THR 29 370 370 THR THR A . n A 1 30 CYS 30 371 371 CYS CYS A . n A 1 31 ALA 31 372 372 ALA ALA A . n A 1 32 THR 32 373 373 THR THR A . n A 1 33 ALA 33 374 374 ALA ALA A . n A 1 34 SER 34 375 375 SER SER A . n A 1 35 THR 35 376 376 THR THR A . n A 1 36 THR 36 377 377 THR THR A . n A 1 37 ASP 37 378 378 ASP ASP A . n A 1 38 ASP 38 379 379 ASP ASP A . n A 1 39 CYS 39 380 380 CYS CYS A . n A 1 40 ILE 40 381 381 ILE ILE A . n A 1 41 VAL 41 382 382 VAL VAL A . n A 1 42 LEU 42 383 383 LEU LEU A . n A 1 43 VAL 43 384 384 VAL VAL A . n A 1 44 LEU 44 385 385 LEU LEU A . n A 1 45 LYS 45 386 386 LYS LYS A . n A 1 46 GLY 46 387 387 GLY GLY A . n A 1 47 GLU 47 388 388 GLU GLU A . n A 1 48 ALA 48 389 389 ALA ALA A . n A 1 49 ASP 49 390 390 ASP ASP A . n A 1 50 ALA 50 391 391 ALA ALA A . n A 1 51 LEU 51 392 392 LEU LEU A . n A 1 52 ASN 52 393 393 ASN ASN A . n A 1 53 LEU 53 394 394 LEU LEU A . n A 1 54 ASP 54 395 395 ASP ASP A . n A 1 55 GLY 55 396 396 GLY GLY A . n A 1 56 GLY 56 397 397 GLY GLY A . n A 1 57 TYR 57 398 398 TYR TYR A . n A 1 58 ILE 58 399 399 ILE ILE A . n A 1 59 TYR 59 400 400 TYR TYR A . n A 1 60 THR 60 401 401 THR THR A . n A 1 61 ALA 61 402 402 ALA ALA A . n A 1 62 GLY 62 403 403 GLY GLY A . n A 1 63 LYS 63 404 404 LYS LYS A . n A 1 64 CYS 64 405 405 CYS CYS A . n A 1 65 GLY 65 406 406 GLY GLY A . n A 1 66 LEU 66 407 407 LEU LEU A . n A 1 67 VAL 67 408 408 VAL VAL A . n A 1 68 PRO 68 409 409 PRO PRO A . n A 1 69 VAL 69 410 410 VAL VAL A . n A 1 70 LEU 70 411 411 LEU LEU A . n A 1 71 ALA 71 412 412 ALA ALA A . n A 1 72 GLU 72 413 413 GLU GLU A . n A 1 73 ASN 73 414 414 ASN ASN A . n A 1 74 ARG 74 415 415 ARG ARG A . n A 1 75 LYS 75 416 416 LYS LYS A . n A 1 76 SER 76 417 417 SER SER A . n A 1 77 SER 77 418 418 SER SER A . n A 1 78 LYS 78 419 419 LYS LYS A . n A 1 79 HIS 79 420 420 HIS HIS A . n A 1 80 SER 80 421 421 SER SER A . n A 1 81 SER 81 422 422 SER SER A . n A 1 82 LEU 82 423 423 LEU LEU A . n A 1 83 ASP 83 424 424 ASP ASP A . n A 1 84 CYS 84 425 425 CYS CYS A . n A 1 85 VAL 85 426 426 VAL VAL A . n A 1 86 LEU 86 427 427 LEU LEU A . n A 1 87 ARG 87 428 428 ARG ARG A . n A 1 88 PRO 88 429 429 PRO PRO A . n A 1 89 THR 89 430 430 THR THR A . n A 1 90 GLU 90 431 431 GLU GLU A . n A 1 91 GLY 91 432 432 GLY GLY A . n A 1 92 TYR 92 433 433 TYR TYR A . n A 1 93 LEU 93 434 434 LEU LEU A . n A 1 94 ALA 94 435 435 ALA ALA A . n A 1 95 VAL 95 436 436 VAL VAL A . n A 1 96 ALA 96 437 437 ALA ALA A . n A 1 97 VAL 97 438 438 VAL VAL A . n A 1 98 VAL 98 439 439 VAL VAL A . n A 1 99 LYS 99 440 440 LYS LYS A . n A 1 100 LYS 100 441 441 LYS LYS A . n A 1 101 ALA 101 442 442 ALA ALA A . n A 1 102 ASN 102 443 443 ASN ASN A . n A 1 103 GLU 103 444 444 GLU GLU A . n A 1 104 GLY 104 445 445 GLY GLY A . n A 1 105 LEU 105 446 446 LEU LEU A . n A 1 106 THR 106 447 447 THR THR A . n A 1 107 TRP 107 448 448 TRP TRP A . n A 1 108 ASN 108 449 449 ASN ASN A . n A 1 109 SER 109 450 450 SER SER A . n A 1 110 LEU 110 451 451 LEU LEU A . n A 1 111 LYS 111 452 452 LYS LYS A . n A 1 112 ASP 112 453 453 ASP ASP A . n A 1 113 LYS 113 454 454 LYS LYS A . n A 1 114 LYS 114 455 455 LYS LYS A . n A 1 115 SER 115 456 456 SER SER A . n A 1 116 CYS 116 457 457 CYS CYS A . n A 1 117 HIS 117 458 458 HIS HIS A . n A 1 118 THR 118 459 459 THR THR A . n A 1 119 ALA 119 460 460 ALA ALA A . n A 1 120 VAL 120 461 461 VAL VAL A . n A 1 121 ASP 121 462 462 ASP ASP A . n A 1 122 ARG 122 463 463 ARG ARG A . n A 1 123 THR 123 464 464 THR THR A . n A 1 124 ALA 124 465 465 ALA ALA A . n A 1 125 GLY 125 466 466 GLY GLY A . n A 1 126 TRP 126 467 467 TRP TRP A . n A 1 127 ASN 127 468 468 ASN ASN A . n A 1 128 ILE 128 469 469 ILE ILE A . n A 1 129 PRO 129 470 470 PRO PRO A . n A 1 130 MET 130 471 471 MET MET A . n A 1 131 GLY 131 472 472 GLY GLY A . n A 1 132 LEU 132 473 473 LEU LEU A . n A 1 133 ILE 133 474 474 ILE ILE A . n A 1 134 VAL 134 475 475 VAL VAL A . n A 1 135 ASN 135 476 476 ASN ASN A . n A 1 136 GLN 136 477 477 GLN GLN A . n A 1 137 THR 137 478 478 THR THR A . n A 1 138 GLY 138 479 479 GLY GLY A . n A 1 139 SER 139 480 480 SER SER A . n A 1 140 CYS 140 481 481 CYS CYS A . n A 1 141 ALA 141 482 482 ALA ALA A . n A 1 142 PHE 142 483 483 PHE PHE A . n A 1 143 ASP 143 484 484 ASP ASP A . n A 1 144 GLU 144 485 485 GLU GLU A . n A 1 145 PHE 145 486 486 PHE PHE A . n A 1 146 PHE 146 487 487 PHE PHE A . n A 1 147 SER 147 488 488 SER SER A . n A 1 148 GLN 148 489 489 GLN GLN A . n A 1 149 SER 149 490 490 SER SER A . n A 1 150 CYS 150 491 491 CYS CYS A . n A 1 151 ALA 151 492 492 ALA ALA A . n A 1 152 PRO 152 493 493 PRO PRO A . n A 1 153 GLY 153 494 494 GLY GLY A . n A 1 154 ALA 154 495 495 ALA ALA A . n A 1 155 ASP 155 496 496 ASP ASP A . n A 1 156 PRO 156 497 497 PRO PRO A . n A 1 157 LYS 157 498 498 LYS LYS A . n A 1 158 SER 158 499 499 SER SER A . n A 1 159 ARG 159 500 500 ARG ARG A . n A 1 160 LEU 160 501 501 LEU LEU A . n A 1 161 CYS 161 502 502 CYS CYS A . n A 1 162 ALA 162 503 503 ALA ALA A . n A 1 163 LEU 163 504 504 LEU LEU A . n A 1 164 CYS 164 505 505 CYS CYS A . n A 1 165 ALA 165 506 506 ALA ALA A . n A 1 166 GLY 166 507 507 GLY GLY A . n A 1 167 ASP 167 508 508 ASP ASP A . n A 1 168 ASP 168 509 509 ASP ASP A . n A 1 169 GLN 169 510 510 GLN GLN A . n A 1 170 GLY 170 511 511 GLY GLY A . n A 1 171 LEU 171 512 512 LEU LEU A . n A 1 172 ASP 172 513 513 ASP ASP A . n A 1 173 LYS 173 514 514 LYS LYS A . n A 1 174 CYS 174 515 515 CYS CYS A . n A 1 175 VAL 175 516 516 VAL VAL A . n A 1 176 PRO 176 517 517 PRO PRO A . n A 1 177 ASN 177 518 518 ASN ASN A . n A 1 178 SER 178 519 519 SER SER A . n A 1 179 LYS 179 520 520 LYS LYS A . n A 1 180 GLU 180 521 521 GLU GLU A . n A 1 181 LYS 181 522 522 LYS LYS A . n A 1 182 TYR 182 523 523 TYR TYR A . n A 1 183 TYR 183 524 524 TYR TYR A . n A 1 184 GLY 184 525 525 GLY GLY A . n A 1 185 TYR 185 526 526 TYR TYR A . n A 1 186 THR 186 527 527 THR THR A . n A 1 187 GLY 187 528 528 GLY GLY A . n A 1 188 ALA 188 529 529 ALA ALA A . n A 1 189 PHE 189 530 530 PHE PHE A . n A 1 190 ARG 190 531 531 ARG ARG A . n A 1 191 CYS 191 532 532 CYS CYS A . n A 1 192 LEU 192 533 533 LEU LEU A . n A 1 193 ALA 193 534 534 ALA ALA A . n A 1 194 GLU 194 535 535 GLU GLU A . n A 1 195 ASP 195 536 536 ASP ASP A . n A 1 196 VAL 196 537 537 VAL VAL A . n A 1 197 GLY 197 538 538 GLY GLY A . n A 1 198 ASP 198 539 539 ASP ASP A . n A 1 199 VAL 199 540 540 VAL VAL A . n A 1 200 ALA 200 541 541 ALA ALA A . n A 1 201 PHE 201 542 542 PHE PHE A . n A 1 202 VAL 202 543 543 VAL VAL A . n A 1 203 LYS 203 544 544 LYS LYS A . n A 1 204 ASN 204 545 545 ASN ASN A . n A 1 205 ASP 205 546 546 ASP ASP A . n A 1 206 THR 206 547 547 THR THR A . n A 1 207 VAL 207 548 548 VAL VAL A . n A 1 208 TRP 208 549 549 TRP TRP A . n A 1 209 GLU 209 550 550 GLU GLU A . n A 1 210 ASN 210 551 551 ASN ASN A . n A 1 211 THR 211 552 552 THR THR A . n A 1 212 ASN 212 553 553 ASN ASN A . n A 1 213 GLY 213 554 554 GLY GLY A . n A 1 214 GLU 214 555 555 GLU GLU A . n A 1 215 SER 215 556 556 SER SER A . n A 1 216 THR 216 557 557 THR THR A . n A 1 217 ALA 217 558 558 ALA ALA A . n A 1 218 ASP 218 559 559 ASP ASP A . n A 1 219 TRP 219 560 560 TRP TRP A . n A 1 220 ALA 220 561 561 ALA ALA A . n A 1 221 LYS 221 562 562 LYS LYS A . n A 1 222 ASN 222 563 563 ASN ASN A . n A 1 223 LEU 223 564 564 LEU LEU A . n A 1 224 LYS 224 565 565 LYS LYS A . n A 1 225 ARG 225 566 566 ARG ARG A . n A 1 226 GLU 226 567 567 GLU GLU A . n A 1 227 ASP 227 568 568 ASP ASP A . n A 1 228 PHE 228 569 569 PHE PHE A . n A 1 229 ARG 229 570 570 ARG ARG A . n A 1 230 LEU 230 571 571 LEU LEU A . n A 1 231 LEU 231 572 572 LEU LEU A . n A 1 232 CYS 232 573 573 CYS CYS A . n A 1 233 LEU 233 574 574 LEU LEU A . n A 1 234 ASP 234 575 575 ASP ASP A . n A 1 235 GLY 235 576 576 GLY GLY A . n A 1 236 THR 236 577 577 THR THR A . n A 1 237 ARG 237 578 578 ARG ARG A . n A 1 238 LYS 238 579 579 LYS LYS A . n A 1 239 PRO 239 580 580 PRO PRO A . n A 1 240 VAL 240 581 581 VAL VAL A . n A 1 241 THR 241 582 582 THR THR A . n A 1 242 GLU 242 583 583 GLU GLU A . n A 1 243 ALA 243 584 584 ALA ALA A . n A 1 244 GLN 244 585 585 GLN GLN A . n A 1 245 SER 245 586 586 SER SER A . n A 1 246 CYS 246 587 587 CYS CYS A . n A 1 247 HIS 247 588 588 HIS HIS A . n A 1 248 LEU 248 589 589 LEU LEU A . n A 1 249 ALA 249 590 590 ALA ALA A . n A 1 250 VAL 250 591 591 VAL VAL A . n A 1 251 ALA 251 592 592 ALA ALA A . n A 1 252 PRO 252 593 593 PRO PRO A . n A 1 253 ASN 253 594 594 ASN ASN A . n A 1 254 HIS 254 595 595 HIS HIS A . n A 1 255 ALA 255 596 596 ALA ALA A . n A 1 256 VAL 256 597 597 VAL VAL A . n A 1 257 VAL 257 598 598 VAL VAL A . n A 1 258 SER 258 599 599 SER SER A . n A 1 259 ARG 259 600 600 ARG ARG A . n A 1 260 SER 260 601 601 SER SER A . n A 1 261 ASP 261 602 602 ASP ASP A . n A 1 262 ARG 262 603 603 ARG ARG A . n A 1 263 ALA 263 604 604 ALA ALA A . n A 1 264 ALA 264 605 605 ALA ALA A . n A 1 265 HIS 265 606 606 HIS HIS A . n A 1 266 VAL 266 607 607 VAL VAL A . n A 1 267 GLU 267 608 608 GLU GLU A . n A 1 268 GLN 268 609 609 GLN GLN A . n A 1 269 VAL 269 610 610 VAL VAL A . n A 1 270 LEU 270 611 611 LEU LEU A . n A 1 271 LEU 271 612 612 LEU LEU A . n A 1 272 HIS 272 613 613 HIS HIS A . n A 1 273 GLN 273 614 614 GLN GLN A . n A 1 274 GLN 274 615 615 GLN GLN A . n A 1 275 ALA 275 616 616 ALA ALA A . n A 1 276 LEU 276 617 617 LEU LEU A . n A 1 277 PHE 277 618 618 PHE PHE A . n A 1 278 GLY 278 619 619 GLY GLY A . n A 1 279 LYS 279 620 620 LYS LYS A . n A 1 280 ASN 280 621 621 ASN ASN A . n A 1 281 GLY 281 622 622 GLY GLY A . n A 1 282 LYS 282 623 623 LYS LYS A . n A 1 283 ASN 283 624 624 ASN ASN A . n A 1 284 CYS 284 625 625 CYS CYS A . n A 1 285 PRO 285 626 626 PRO PRO A . n A 1 286 ASP 286 627 627 ASP ASP A . n A 1 287 LYS 287 628 628 LYS LYS A . n A 1 288 PHE 288 629 629 PHE PHE A . n A 1 289 CYS 289 630 630 CYS CYS A . n A 1 290 LEU 290 631 631 LEU LEU A . n A 1 291 PHE 291 632 632 PHE PHE A . n A 1 292 LYS 292 633 633 LYS LYS A . n A 1 293 SER 293 634 634 SER SER A . n A 1 294 GLU 294 635 635 GLU GLU A . n A 1 295 THR 295 636 636 THR THR A . n A 1 296 LYS 296 637 637 LYS LYS A . n A 1 297 ASN 297 638 638 ASN ASN A . n A 1 298 LEU 298 639 639 LEU LEU A . n A 1 299 LEU 299 640 640 LEU LEU A . n A 1 300 PHE 300 641 641 PHE PHE A . n A 1 301 ASN 301 642 642 ASN ASN A . n A 1 302 ASP 302 643 643 ASP ASP A . n A 1 303 ASN 303 644 644 ASN ASN A . n A 1 304 THR 304 645 645 THR THR A . n A 1 305 GLU 305 646 646 GLU GLU A . n A 1 306 CYS 306 647 647 CYS CYS A . n A 1 307 LEU 307 648 648 LEU LEU A . n A 1 308 ALA 308 649 649 ALA ALA A . n A 1 309 LYS 309 650 650 LYS LYS A . n A 1 310 LEU 310 651 651 LEU LEU A . n A 1 311 GLY 311 652 652 GLY GLY A . n A 1 312 GLY 312 653 653 GLY GLY A . n A 1 313 ARG 313 654 654 ARG ARG A . n A 1 314 PRO 314 655 655 PRO PRO A . n A 1 315 THR 315 656 656 THR THR A . n A 1 316 TYR 316 657 657 TYR TYR A . n A 1 317 GLU 317 658 658 GLU GLU A . n A 1 318 GLU 318 659 659 GLU GLU A . n A 1 319 TYR 319 660 660 TYR TYR A . n A 1 320 LEU 320 661 661 LEU LEU A . n A 1 321 GLY 321 662 662 GLY GLY A . n A 1 322 THR 322 663 663 THR THR A . n A 1 323 GLU 323 664 664 GLU GLU A . n A 1 324 TYR 324 665 665 TYR TYR A . n A 1 325 VAL 325 666 666 VAL VAL A . n A 1 326 THR 326 667 667 THR THR A . n A 1 327 ALA 327 668 668 ALA ALA A . n A 1 328 ILE 328 669 669 ILE ILE A . n A 1 329 ALA 329 670 670 ALA ALA A . n A 1 330 ASN 330 671 671 ASN ASN A . n A 1 331 LEU 331 672 672 LEU LEU A . n A 1 332 LYS 332 673 673 LYS LYS A . n A 1 333 LYS 333 674 674 LYS LYS A . n A 1 334 CYS 334 675 675 CYS CYS A . n A 1 335 SER 335 676 676 SER SER A . n A 1 336 THR 336 677 ? ? ? A . n A 1 337 SER 337 678 ? ? ? A . n A 1 338 PRO 338 679 ? ? ? A . n A 1 339 LEU 339 680 ? ? ? A . n A 1 340 LEU 340 681 681 LEU LEU A . n A 1 341 GLU 341 682 682 GLU GLU A . n A 1 342 ALA 342 683 683 ALA ALA A . n A 1 343 CYS 343 684 684 CYS CYS A . n A 1 344 ALA 344 685 685 ALA ALA A . n A 1 345 PHE 345 686 686 PHE PHE A . n # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 A ASN 27 A ASN 368 ? ASN 'GLYCOSYLATION SITE' 2 A ASN 135 A ASN 476 ? ASN 'GLYCOSYLATION SITE' 3 A ASN 204 A ASN 545 ? ASN 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_struct_conn_angle.id _pdbx_struct_conn_angle.ptnr1_label_atom_id _pdbx_struct_conn_angle.ptnr1_label_alt_id _pdbx_struct_conn_angle.ptnr1_label_asym_id _pdbx_struct_conn_angle.ptnr1_label_comp_id _pdbx_struct_conn_angle.ptnr1_label_seq_id _pdbx_struct_conn_angle.ptnr1_auth_atom_id _pdbx_struct_conn_angle.ptnr1_auth_asym_id _pdbx_struct_conn_angle.ptnr1_auth_comp_id _pdbx_struct_conn_angle.ptnr1_auth_seq_id _pdbx_struct_conn_angle.ptnr1_PDB_ins_code _pdbx_struct_conn_angle.ptnr1_symmetry _pdbx_struct_conn_angle.ptnr2_label_atom_id _pdbx_struct_conn_angle.ptnr2_label_alt_id _pdbx_struct_conn_angle.ptnr2_label_asym_id _pdbx_struct_conn_angle.ptnr2_label_comp_id _pdbx_struct_conn_angle.ptnr2_label_seq_id _pdbx_struct_conn_angle.ptnr2_auth_atom_id _pdbx_struct_conn_angle.ptnr2_auth_asym_id _pdbx_struct_conn_angle.ptnr2_auth_comp_id _pdbx_struct_conn_angle.ptnr2_auth_seq_id _pdbx_struct_conn_angle.ptnr2_PDB_ins_code _pdbx_struct_conn_angle.ptnr2_symmetry _pdbx_struct_conn_angle.ptnr3_label_atom_id _pdbx_struct_conn_angle.ptnr3_label_alt_id _pdbx_struct_conn_angle.ptnr3_label_asym_id _pdbx_struct_conn_angle.ptnr3_label_comp_id _pdbx_struct_conn_angle.ptnr3_label_seq_id _pdbx_struct_conn_angle.ptnr3_auth_atom_id _pdbx_struct_conn_angle.ptnr3_auth_asym_id _pdbx_struct_conn_angle.ptnr3_auth_comp_id _pdbx_struct_conn_angle.ptnr3_auth_seq_id _pdbx_struct_conn_angle.ptnr3_PDB_ins_code _pdbx_struct_conn_angle.ptnr3_symmetry _pdbx_struct_conn_angle.value _pdbx_struct_conn_angle.value_esd 1 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? H FE . ? A FE 691 ? 1_555 OH ? A TYR 92 ? A TYR 433 ? 1_555 86.6 ? 2 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? H FE . ? A FE 691 ? 1_555 OH ? A TYR 185 ? A TYR 526 ? 1_555 168.0 ? 3 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? H FE . ? A FE 691 ? 1_555 OH ? A TYR 185 ? A TYR 526 ? 1_555 96.7 ? 4 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? H FE . ? A FE 691 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 84.9 ? 5 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? H FE . ? A FE 691 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 99.3 ? 6 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? H FE . ? A FE 691 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 83.2 ? 7 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? H FE . ? A FE 691 ? 1_555 O2 ? I CO3 . ? A CO3 692 ? 1_555 96.2 ? 8 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? H FE . ? A FE 691 ? 1_555 O2 ? I CO3 . ? A CO3 692 ? 1_555 90.3 ? 9 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? H FE . ? A FE 691 ? 1_555 O2 ? I CO3 . ? A CO3 692 ? 1_555 95.3 ? 10 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 FE ? H FE . ? A FE 691 ? 1_555 O2 ? I CO3 . ? A CO3 692 ? 1_555 170.4 ? 11 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? H FE . ? A FE 691 ? 1_555 O1 ? I CO3 . ? A CO3 692 ? 1_555 88.0 ? 12 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? H FE . ? A FE 691 ? 1_555 O1 ? I CO3 . ? A CO3 692 ? 1_555 147.6 ? 13 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? H FE . ? A FE 691 ? 1_555 O1 ? I CO3 . ? A CO3 692 ? 1_555 95.1 ? 14 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 FE ? H FE . ? A FE 691 ? 1_555 O1 ? I CO3 . ? A CO3 692 ? 1_555 112.0 ? 15 O2 ? I CO3 . ? A CO3 692 ? 1_555 FE ? H FE . ? A FE 691 ? 1_555 O1 ? I CO3 . ? A CO3 692 ? 1_555 58.5 ? 16 OE2 ? A GLU 318 ? A GLU 659 ? 1_555 ZN ? J ZN . ? A ZN 3 ? 1_555 O ? N HOH . ? A HOH 827 ? 1_555 100.3 ? # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2008-03-18 2 'Structure model' 1 1 2011-07-13 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Non-polymer description' 2 2 'Structure model' 'Version format compliance' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal REFMAC refinement 5.2.0019 ? 1 DENZO 'data reduction' . ? 2 AUTOMAR 'data reduction' . ? 3 SCALEPACK 'data scaling' . ? 4 MOLREP phasing . ? 5 # _pdbx_entry_details.sequence_details ;THERE ARE CONFLICTS BETWEEN SEQRES (LYS A 565, GLU A 608) AND SEQUENCE DATABASE (ASN, LYS). THE AUTHORS BELIEVE THAT THE SEQRES IS CORRECT AND IS THE TRUE IDENTITY OF THESE RESIDUES AND IS NATURAL MUTANT. ; _pdbx_entry_details.entry_id 3CFL _pdbx_entry_details.compound_details ? _pdbx_entry_details.source_details ? _pdbx_entry_details.nonpolymer_details ? # _pdbx_validate_rmsd_angle.id 1 _pdbx_validate_rmsd_angle.PDB_model_num 1 _pdbx_validate_rmsd_angle.auth_atom_id_1 C _pdbx_validate_rmsd_angle.auth_asym_id_1 A _pdbx_validate_rmsd_angle.auth_comp_id_1 GLY _pdbx_validate_rmsd_angle.auth_seq_id_1 351 _pdbx_validate_rmsd_angle.PDB_ins_code_1 ? _pdbx_validate_rmsd_angle.label_alt_id_1 ? _pdbx_validate_rmsd_angle.auth_atom_id_2 N _pdbx_validate_rmsd_angle.auth_asym_id_2 A _pdbx_validate_rmsd_angle.auth_comp_id_2 PRO _pdbx_validate_rmsd_angle.auth_seq_id_2 352 _pdbx_validate_rmsd_angle.PDB_ins_code_2 ? _pdbx_validate_rmsd_angle.label_alt_id_2 ? _pdbx_validate_rmsd_angle.auth_atom_id_3 CA _pdbx_validate_rmsd_angle.auth_asym_id_3 A _pdbx_validate_rmsd_angle.auth_comp_id_3 PRO _pdbx_validate_rmsd_angle.auth_seq_id_3 352 _pdbx_validate_rmsd_angle.PDB_ins_code_3 ? _pdbx_validate_rmsd_angle.label_alt_id_3 ? _pdbx_validate_rmsd_angle.angle_value 128.97 _pdbx_validate_rmsd_angle.angle_target_value 119.30 _pdbx_validate_rmsd_angle.angle_deviation 9.67 _pdbx_validate_rmsd_angle.angle_standard_deviation 1.50 _pdbx_validate_rmsd_angle.linker_flag Y # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 THR A 343 ? ? -87.67 32.84 2 1 HIS A 420 ? ? 51.75 14.94 3 1 ALA A 460 ? ? 178.42 153.69 4 1 ASP A 462 ? ? 78.54 -0.58 5 1 TRP A 467 ? ? -138.55 -61.08 6 1 ALA A 482 ? ? -81.70 47.71 7 1 THR A 557 ? ? 70.50 -4.83 8 1 SER A 634 ? ? -171.72 41.62 9 1 GLU A 635 ? ? 37.62 66.91 10 1 LEU A 640 ? ? 68.95 -49.22 11 1 ARG A 654 ? ? 25.44 64.11 # 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 'FE (III) ION' FE 4 'CARBONATE ION' CO3 5 'ZINC ION' ZN 6 'SULFATE ION' SO4 7 "5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine" 5CH 8 water HOH # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 NAG 1 1 1 NAG NAG A . C 2 NAG 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 2 NAG 1 689 1 NAG NAG A . G 2 NAG 2 690 2 NAG NAG A . H 3 FE 1 691 1 FE FE A . I 4 CO3 1 692 2 CO3 CO3 A . J 5 ZN 1 3 3 ZN ZN A . K 5 ZN 1 4 4 ZN ZN A . L 6 SO4 1 5 5 SO4 SO4 A . M 7 5CH 1 693 1 5CH UNK A . N 8 HOH 1 694 1 HOH HOH A . N 8 HOH 2 695 2 HOH HOH A . N 8 HOH 3 696 3 HOH HOH A . N 8 HOH 4 697 4 HOH HOH A . N 8 HOH 5 698 5 HOH HOH A . N 8 HOH 6 699 6 HOH HOH A . N 8 HOH 7 700 7 HOH HOH A . N 8 HOH 8 701 8 HOH HOH A . N 8 HOH 9 702 9 HOH HOH A . N 8 HOH 10 703 10 HOH HOH A . N 8 HOH 11 704 11 HOH HOH A . N 8 HOH 12 705 12 HOH HOH A . N 8 HOH 13 706 13 HOH HOH A . N 8 HOH 14 707 14 HOH HOH A . N 8 HOH 15 708 15 HOH HOH A . N 8 HOH 16 709 16 HOH HOH A . N 8 HOH 17 710 17 HOH HOH A . N 8 HOH 18 711 18 HOH HOH A . N 8 HOH 19 712 19 HOH HOH A . N 8 HOH 20 713 20 HOH HOH A . N 8 HOH 21 714 21 HOH HOH A . N 8 HOH 22 715 22 HOH HOH A . N 8 HOH 23 716 23 HOH HOH A . N 8 HOH 24 717 24 HOH HOH A . N 8 HOH 25 718 25 HOH HOH A . N 8 HOH 26 719 26 HOH HOH A . N 8 HOH 27 720 27 HOH HOH A . N 8 HOH 28 721 28 HOH HOH A . N 8 HOH 29 722 29 HOH HOH A . N 8 HOH 30 723 30 HOH HOH A . N 8 HOH 31 724 31 HOH HOH A . N 8 HOH 32 725 32 HOH HOH A . N 8 HOH 33 726 33 HOH HOH A . N 8 HOH 34 727 34 HOH HOH A . N 8 HOH 35 728 35 HOH HOH A . N 8 HOH 36 729 36 HOH HOH A . N 8 HOH 37 730 37 HOH HOH A . N 8 HOH 38 731 38 HOH HOH A . N 8 HOH 39 732 39 HOH HOH A . N 8 HOH 40 733 40 HOH HOH A . N 8 HOH 41 734 41 HOH HOH A . N 8 HOH 42 735 42 HOH HOH A . N 8 HOH 43 736 43 HOH HOH A . N 8 HOH 44 737 44 HOH HOH A . N 8 HOH 45 738 45 HOH HOH A . N 8 HOH 46 739 46 HOH HOH A . N 8 HOH 47 740 48 HOH HOH A . N 8 HOH 48 741 49 HOH HOH A . N 8 HOH 49 742 50 HOH HOH A . N 8 HOH 50 743 51 HOH HOH A . N 8 HOH 51 744 52 HOH HOH A . N 8 HOH 52 745 53 HOH HOH A . N 8 HOH 53 746 54 HOH HOH A . N 8 HOH 54 747 55 HOH HOH A . N 8 HOH 55 748 56 HOH HOH A . N 8 HOH 56 749 57 HOH HOH A . N 8 HOH 57 750 58 HOH HOH A . N 8 HOH 58 751 60 HOH HOH A . N 8 HOH 59 752 61 HOH HOH A . N 8 HOH 60 753 62 HOH HOH A . N 8 HOH 61 754 63 HOH HOH A . N 8 HOH 62 755 64 HOH HOH A . N 8 HOH 63 756 65 HOH HOH A . N 8 HOH 64 757 66 HOH HOH A . N 8 HOH 65 758 67 HOH HOH A . N 8 HOH 66 759 69 HOH HOH A . N 8 HOH 67 760 70 HOH HOH A . N 8 HOH 68 761 71 HOH HOH A . N 8 HOH 69 762 72 HOH HOH A . N 8 HOH 70 763 73 HOH HOH A . N 8 HOH 71 764 74 HOH HOH A . N 8 HOH 72 765 75 HOH HOH A . N 8 HOH 73 766 76 HOH HOH A . N 8 HOH 74 767 77 HOH HOH A . N 8 HOH 75 768 78 HOH HOH A . N 8 HOH 76 769 79 HOH HOH A . N 8 HOH 77 770 80 HOH HOH A . N 8 HOH 78 771 81 HOH HOH A . N 8 HOH 79 772 82 HOH HOH A . N 8 HOH 80 773 83 HOH HOH A . N 8 HOH 81 774 84 HOH HOH A . N 8 HOH 82 775 85 HOH HOH A . N 8 HOH 83 776 86 HOH HOH A . N 8 HOH 84 777 87 HOH HOH A . N 8 HOH 85 778 88 HOH HOH A . N 8 HOH 86 779 89 HOH HOH A . N 8 HOH 87 780 90 HOH HOH A . N 8 HOH 88 781 91 HOH HOH A . N 8 HOH 89 782 92 HOH HOH A . N 8 HOH 90 783 93 HOH HOH A . N 8 HOH 91 784 95 HOH HOH A . N 8 HOH 92 785 96 HOH HOH A . N 8 HOH 93 786 97 HOH HOH A . N 8 HOH 94 787 98 HOH HOH A . N 8 HOH 95 788 99 HOH HOH A . N 8 HOH 96 789 100 HOH HOH A . N 8 HOH 97 790 102 HOH HOH A . N 8 HOH 98 791 103 HOH HOH A . N 8 HOH 99 792 104 HOH HOH A . N 8 HOH 100 793 105 HOH HOH A . N 8 HOH 101 794 106 HOH HOH A . N 8 HOH 102 795 107 HOH HOH A . N 8 HOH 103 796 109 HOH HOH A . N 8 HOH 104 797 110 HOH HOH A . N 8 HOH 105 798 111 HOH HOH A . N 8 HOH 106 799 112 HOH HOH A . N 8 HOH 107 800 116 HOH HOH A . N 8 HOH 108 801 119 HOH HOH A . N 8 HOH 109 802 120 HOH HOH A . N 8 HOH 110 803 121 HOH HOH A . N 8 HOH 111 804 125 HOH HOH A . N 8 HOH 112 805 126 HOH HOH A . N 8 HOH 113 806 127 HOH HOH A . N 8 HOH 114 807 128 HOH HOH A . N 8 HOH 115 808 129 HOH HOH A . N 8 HOH 116 809 133 HOH HOH A . N 8 HOH 117 810 135 HOH HOH A . N 8 HOH 118 811 136 HOH HOH A . N 8 HOH 119 812 138 HOH HOH A . N 8 HOH 120 813 139 HOH HOH A . N 8 HOH 121 814 140 HOH HOH A . N 8 HOH 122 815 141 HOH HOH A . N 8 HOH 123 816 142 HOH HOH A . N 8 HOH 124 817 143 HOH HOH A . N 8 HOH 125 818 144 HOH HOH A . N 8 HOH 126 819 145 HOH HOH A . N 8 HOH 127 820 146 HOH HOH A . N 8 HOH 128 821 148 HOH HOH A . N 8 HOH 129 822 149 HOH HOH A . N 8 HOH 130 823 150 HOH HOH A . N 8 HOH 131 824 151 HOH HOH A . N 8 HOH 132 825 154 HOH HOH A . N 8 HOH 133 826 156 HOH HOH A . N 8 HOH 134 827 157 HOH HOH A . N 8 HOH 135 828 158 HOH HOH A . N 8 HOH 136 829 159 HOH HOH A . N 8 HOH 137 830 160 HOH HOH A . N 8 HOH 138 831 161 HOH HOH A . N 8 HOH 139 832 162 HOH HOH A . N 8 HOH 140 833 164 HOH HOH A . N 8 HOH 141 834 165 HOH HOH A . N 8 HOH 142 835 167 HOH HOH A . N 8 HOH 143 836 168 HOH HOH A . N 8 HOH 144 837 169 HOH HOH A . N 8 HOH 145 838 171 HOH HOH A . N 8 HOH 146 839 173 HOH HOH A . N 8 HOH 147 840 174 HOH HOH A . N 8 HOH 148 841 176 HOH HOH A . N 8 HOH 149 842 178 HOH HOH A . N 8 HOH 150 843 180 HOH HOH A . N 8 HOH 151 844 186 HOH HOH A . N 8 HOH 152 845 189 HOH HOH A . N 8 HOH 153 846 193 HOH HOH A . N 8 HOH 154 847 194 HOH HOH A . N 8 HOH 155 848 195 HOH HOH A . N 8 HOH 156 849 200 HOH HOH A . N 8 HOH 157 850 202 HOH HOH A . N 8 HOH 158 851 204 HOH HOH A . N 8 HOH 159 852 207 HOH HOH A . N 8 HOH 160 853 212 HOH HOH A . N 8 HOH 161 854 214 HOH HOH A . N 8 HOH 162 855 218 HOH HOH A . N 8 HOH 163 856 220 HOH HOH A . N 8 HOH 164 857 222 HOH HOH A . N 8 HOH 165 858 225 HOH HOH A . N 8 HOH 166 859 229 HOH HOH A . N 8 HOH 167 860 230 HOH HOH A . N 8 HOH 168 861 232 HOH HOH A . N 8 HOH 169 862 233 HOH HOH A . N 8 HOH 170 863 234 HOH HOH A . N 8 HOH 171 864 235 HOH HOH A . N 8 HOH 172 865 237 HOH HOH A . N 8 HOH 173 866 238 HOH HOH A . N 8 HOH 174 867 241 HOH HOH A . N 8 HOH 175 868 242 HOH HOH A . N 8 HOH 176 869 247 HOH HOH A . N 8 HOH 177 870 251 HOH HOH A . N 8 HOH 178 871 255 HOH HOH A . N 8 HOH 179 872 256 HOH HOH A . N 8 HOH 180 873 260 HOH HOH A . N 8 HOH 181 874 261 HOH HOH A . N 8 HOH 182 875 264 HOH HOH A . N 8 HOH 183 876 266 HOH HOH A . N 8 HOH 184 877 267 HOH HOH A . N 8 HOH 185 878 271 HOH HOH A . N 8 HOH 186 879 274 HOH HOH A . N 8 HOH 187 880 275 HOH HOH A . N 8 HOH 188 881 276 HOH HOH A . N 8 HOH 189 882 277 HOH HOH A . N 8 HOH 190 883 293 HOH HOH A . #