data_2FA7 # _entry.id 2FA7 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.279 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 2FA7 RCSB RCSB035644 WWPDB D_1000035644 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 2ALU 'Crystal Structure Of The Complex Formed Between Bovine Lactoferrin and A Tetrasaccharide At 2.1 A Resolution' unspecified PDB 1NKX 'Crystal Structure Of A Proteolytically Generated Functional Monoferric C-Lobe Of Bovine Lactoferrin At 1.9 A Resolution' unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 2FA7 _pdbx_database_status.recvd_initial_deposition_date 2005-12-07 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.status_code_sf ? _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_cs ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Singh, N.' 1 'Jain, R.' 2 'Jabeen, T.' 3 'Sharma, S.' 4 'Bhushan, A.' 5 'Singh, T.P.' 6 # _citation.id primary _citation.title 'Crystal structure of the complex of bovine lactoferrin C-lobe with a pentasaccharide at 2.38 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 'Singh, N.' 1 primary 'Jain, R.' 2 primary 'Jabeen, T.' 3 primary 'Sharma, S.' 4 primary 'Bhushan, A.' 5 primary 'Singh, T.P.' 6 # _cell.entry_id 2FA7 _cell.length_a 62.960 _cell.length_b 50.499 _cell.length_c 65.859 _cell.angle_alpha 90.00 _cell.angle_beta 107.50 _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 2FA7 _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 ? 'N565K, K608E' 'C-lobe complex, residues 361-705' ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 9 ? ? ? ? 3 non-polymer man '2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE' 221.208 2 ? ? ? ? 4 non-polymer man ALPHA-D-MANNOSE 180.156 3 ? ? ? ? 5 non-polymer man BETA-D-MANNOSE 180.156 4 ? ? ? ? 6 non-polymer syn 'SULFATE ION' 96.063 1 ? ? ? ? 7 non-polymer syn 'ZINC ION' 65.409 3 ? ? ? ? 8 non-polymer syn 'FE (III) ION' 55.845 1 ? ? ? ? 9 non-polymer syn 'CARBONATE ION' 60.009 1 ? ? ? ? 10 water nat water 18.015 275 ? ? ? ? # _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 'Mammary glands' _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 2FA7 _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 2FA7 LYS A 224 ? UNP P24627 ASN 584 ENGINEERED 565 1 1 2FA7 GLU A 267 ? UNP P24627 LYS 627 ENGINEERED 608 2 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 BMA D-saccharide . BETA-D-MANNOSE ? 'C6 H12 O6' 180.156 CO3 non-polymer . 'CARBONATE ION' ? 'C O3 -2' 60.009 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 FE non-polymer . 'FE (III) ION' ? 'Fe 3' 55.845 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MAN D-saccharide . ALPHA-D-MANNOSE ? 'C6 H12 O6' 180.156 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 NDG D-saccharide . '2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE' ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 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 2FA7 _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.65 _exptl_crystal.density_percent_sol 53.60 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.temp 298 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 6.5 _exptl_crystal_grow.pdbx_details '0.1M MES, PEG MONOMETHYLETHER, 0.1M ZNSO4, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K' _exptl_crystal_grow.pdbx_pH_range . # _diffrn.id 1 _diffrn.ambient_temp 293 _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 2005-10-17 _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 1.54 _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 1.54 # _reflns.entry_id 2FA7 _reflns.observed_criterion_sigma_I 0 _reflns.observed_criterion_sigma_F 0 _reflns.d_resolution_low 63.24 _reflns.d_resolution_high 2.38 _reflns.number_obs 16044 _reflns.number_all 16044 _reflns.percent_possible_obs 86.8 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI ? _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy ? _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # _reflns_shell.d_res_high 2.38 _reflns_shell.d_res_low 2.42 _reflns_shell.percent_possible_all 96.6 _reflns_shell.Rmerge_I_obs ? _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs ? _reflns_shell.pdbx_redundancy ? _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all ? _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_unique_obs ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 # _refine.entry_id 2FA7 _refine.ls_number_reflns_obs 14993 _refine.ls_number_reflns_all 16044 _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 0 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 62.02 _refine.ls_d_res_high 2.38 _refine.ls_percent_reflns_obs 96.47 _refine.ls_R_factor_obs 0.19948 _refine.ls_R_factor_all 0.213 _refine.ls_R_factor_R_work 0.19831 _refine.ls_R_factor_R_free 0.23581 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 3.1 _refine.ls_number_reflns_R_free 484 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.928 _refine.correlation_coeff_Fo_to_Fc_free 0.904 _refine.B_iso_mean 33.509 _refine.aniso_B[1][1] 0.89 _refine.aniso_B[2][2] -0.56 _refine.aniso_B[3][3] -1.00 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] -1.11 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details 'BABINET MODEL WITH MASK' _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.40 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details ? _refine.pdbx_starting_model 'PDB ENTRY 2B6D' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R 0.540 _refine.pdbx_overall_ESU_R_Free 0.262 _refine.overall_SU_ML 0.181 _refine.overall_SU_B 7.648 _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_overall_phase_error ? _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 2604 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 244 _refine_hist.number_atoms_solvent 275 _refine_hist.number_atoms_total 3123 _refine_hist.d_res_high 2.38 _refine_hist.d_res_low 62.02 # 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 0.010 0.021 ? 2918 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.898 2.050 ? 3983 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 5.419 3.000 ? 339 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 18.743 15.000 ? 466 'X-RAY DIFFRACTION' ? r_chiral_restr 0.142 0.200 ? 487 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.007 0.020 ? 2057 'X-RAY DIFFRACTION' ? r_nbd_refined 0.283 0.300 ? 1344 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_refined 0.205 0.500 ? 355 'X-RAY DIFFRACTION' ? r_metal_ion_refined 0.175 0.500 ? 7 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined 0.292 0.300 ? 26 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined 0.381 0.500 ? 14 'X-RAY DIFFRACTION' ? r_mcbond_it 0.749 1.500 ? 1693 'X-RAY DIFFRACTION' ? r_mcangle_it 1.451 2.000 ? 2700 'X-RAY DIFFRACTION' ? r_scbond_it 2.074 3.000 ? 1225 'X-RAY DIFFRACTION' ? r_scangle_it 3.675 4.500 ? 1283 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 2.380 _refine_ls_shell.d_res_low 2.442 _refine_ls_shell.number_reflns_R_work 1112 _refine_ls_shell.R_factor_R_work 0.236 _refine_ls_shell.percent_reflns_obs ? _refine_ls_shell.R_factor_R_free 0.197 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 29 _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 2FA7 _struct.title 'Crystal structure of the complex of bovine lactoferrin C-lobe with a pentasaccharide at 2.38 A resolution' _struct.pdbx_descriptor Lactotransferrin _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 2FA7 _struct_keywords.pdbx_keywords 'TRANSPORT PROTEIN' _struct_keywords.text 'C-lobe, complex, TRANSPORT PROTEIN' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 2 ? D N N 2 ? E N N 3 ? F N N 4 ? G N N 5 ? H N N 5 ? I N N 2 ? J N N 2 ? K N N 4 ? L N N 5 ? M N N 5 ? N N N 4 ? O N N 2 ? P N N 2 ? Q N N 2 ? R N N 2 ? S N N 3 ? T N N 6 ? U N N 7 ? V N N 7 ? W N N 7 ? X N N 8 ? Y N N 9 ? Z N N 10 ? # _struct_biol.id 1 # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 GLY A 10 ? SER A 24 ? GLY A 351 SER A 365 1 ? 15 HELX_P HELX_P2 2 THR A 35 ? LYS A 45 ? THR A 376 LYS A 386 1 ? 11 HELX_P HELX_P3 3 ASP A 54 ? CYS A 64 ? ASP A 395 CYS A 405 1 ? 11 HELX_P HELX_P4 4 ASP A 83 ? ARG A 87 ? ASP A 424 ARG A 428 5 ? 5 HELX_P HELX_P5 5 THR A 106 ? LEU A 110 ? THR A 447 LEU A 451 5 ? 5 HELX_P HELX_P6 6 TRP A 126 ? GLY A 138 ? TRP A 467 GLY A 479 1 ? 13 HELX_P HELX_P7 7 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 ? CYS A 246 ? PRO A 580 CYS A 587 5 ? 8 HELX_P HELX_P12 12 ARG A 262 ? GLY A 278 ? ARG A 603 GLY A 619 1 ? 17 HELX_P HELX_P13 13 THR A 315 ? GLY A 321 ? THR A 656 GLY A 662 1 ? 7 HELX_P HELX_P14 14 GLY A 321 ? LYS A 333 ? GLY A 662 LYS A 674 1 ? 13 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 7 SG ? ? ? 1_555 A CYS 39 SG ? ? A CYS 348 A CYS 380 1_555 ? ? ? ? ? ? ? 2.028 ? disulf2 disulf ? ? A CYS 17 SG ? ? ? 1_555 A CYS 30 SG ? ? A CYS 358 A CYS 371 1_555 ? ? ? ? ? ? ? 2.044 ? disulf3 disulf ? ? A CYS 64 SG ? ? ? 1_555 A CYS 343 SG ? ? A CYS 405 A CYS 684 1_555 ? ? ? ? ? ? ? 2.178 ? disulf4 disulf ? ? A CYS 84 SG ? ? ? 1_555 A CYS 306 SG ? ? A CYS 425 A CYS 647 1_555 ? ? ? ? ? ? ? 2.027 ? disulf5 disulf ? ? A CYS 116 SG ? ? ? 1_555 A CYS 191 SG ? ? A CYS 457 A CYS 532 1_555 ? ? ? ? ? ? ? 2.010 ? disulf6 disulf ? ? A CYS 140 SG ? ? ? 1_555 A CYS 334 SG ? ? A CYS 481 A CYS 675 1_555 ? ? ? ? ? ? ? 1.672 ? disulf7 disulf ? ? A CYS 150 SG ? ? ? 1_555 A CYS 164 SG ? ? A CYS 491 A CYS 505 1_555 ? ? ? ? ? ? ? 2.031 ? disulf8 disulf ? ? A CYS 161 SG ? ? ? 1_555 A CYS 174 SG ? ? A CYS 502 A CYS 515 1_555 ? ? ? ? ? ? ? 2.030 ? disulf9 disulf ? ? A CYS 232 SG ? ? ? 1_555 A CYS 246 SG ? ? A CYS 573 A CYS 587 1_555 ? ? ? ? ? ? ? 2.024 ? disulf10 disulf ? ? A CYS 284 SG ? ? ? 1_555 A CYS 289 SG ? ? A CYS 625 A CYS 630 1_555 ? ? ? ? ? ? ? 2.021 ? covale1 covale ? ? A ASN 27 ND2 ? ? ? 1_555 B NAG . C1 ? ? A ASN 368 A NAG 1 1_555 ? ? ? ? ? ? ? 1.445 ? covale2 covale ? ? A ASN 135 ND2 ? ? ? 1_555 D NAG . C1 ? ? A ASN 476 A NAG 3 1_555 ? ? ? ? ? ? ? 1.439 ? covale3 covale ? ? A ASN 204 ND2 ? ? ? 1_555 I NAG . C1 ? ? A ASN 545 A NAG 8 1_555 ? ? ? ? ? ? ? 1.453 ? covale4 covale ? ? B NAG . O4 ? ? ? 1_555 C NAG . C1 ? ? A NAG 1 A NAG 2 1_555 ? ? ? ? ? ? ? 1.454 ? covale5 covale ? ? D NAG . O4 ? ? ? 1_555 E NDG . C1 ? ? A NAG 3 A NDG 4 1_555 ? ? ? ? ? ? ? 1.456 ? covale6 covale ? ? E NDG . O4 ? ? ? 1_555 F MAN . C1 ? ? A NDG 4 A MAN 5 1_555 ? ? ? ? ? ? ? 1.459 ? covale7 covale ? ? F MAN . O4 ? ? ? 1_555 G BMA . C1 ? ? A MAN 5 A BMA 6 1_555 ? ? ? ? ? ? ? 1.450 ? covale8 covale ? ? F MAN . O6 ? ? ? 1_555 H BMA . C1 ? ? A MAN 5 A BMA 7 1_555 ? ? ? ? ? ? ? 1.440 ? covale9 covale ? ? I NAG . O4 ? ? ? 1_555 J NAG . C1 ? ? A NAG 8 A NAG 9 1_555 ? ? ? ? ? ? ? 1.443 ? covale10 covale ? ? J NAG . O4 ? ? ? 1_555 K MAN . C1 ? ? A NAG 9 A MAN 10 1_555 ? ? ? ? ? ? ? 1.446 ? covale11 covale ? ? K MAN . O4 ? ? ? 1_555 L BMA . C1 ? ? A MAN 10 A BMA 11 1_555 ? ? ? ? ? ? ? 1.455 ? covale12 covale ? ? L BMA . O4 ? ? ? 1_555 M BMA . C1 ? ? A BMA 11 A BMA 12 1_555 ? ? ? ? ? ? ? 1.450 ? covale13 covale ? ? M BMA . O4 ? ? ? 1_555 N MAN . C1 ? ? A BMA 12 A MAN 13 1_555 ? ? ? ? ? ? ? 1.455 ? covale14 covale ? ? O NAG . O4 ? ? ? 1_555 P NAG . C1 ? ? A NAG 687 A NAG 688 1_555 ? ? ? ? ? ? ? 1.441 ? covale15 covale ? ? P NAG . O4 ? ? ? 1_555 Q NAG . C1 ? ? A NAG 688 A NAG 689 1_555 ? ? ? ? ? ? ? 1.462 ? covale16 covale ? ? Q NAG . O4 ? ? ? 1_555 R NAG . C1 ? ? A NAG 689 A NAG 690 1_555 ? ? ? ? ? ? ? 1.444 ? covale17 covale ? ? R NAG . O4 ? ? ? 1_555 S NDG . C1 ? ? A NAG 690 A NDG 691 1_555 ? ? ? ? ? ? ? 1.446 ? metalc1 metalc ? ? A TYR 185 OH ? ? ? 1_555 X FE . FE ? ? A TYR 526 A FE 692 1_555 ? ? ? ? ? ? ? 1.836 ? metalc2 metalc ? ? A TYR 92 OH ? ? ? 1_555 X FE . FE ? ? A TYR 433 A FE 692 1_555 ? ? ? ? ? ? ? 1.896 ? metalc3 metalc ? ? A ASP 54 OD1 ? ? ? 1_555 X FE . FE ? ? A ASP 395 A FE 692 1_555 ? ? ? ? ? ? ? 1.950 ? metalc4 metalc ? ? A HIS 254 NE2 ? ? ? 1_555 X FE . FE ? ? A HIS 595 A FE 692 1_555 ? ? ? ? ? ? ? 2.091 ? metalc5 metalc ? ? U ZN . ZN ? ? ? 1_555 A GLU 318 OE2 ? ? A ZN 302 A GLU 659 1_555 ? ? ? ? ? ? ? 2.198 ? metalc6 metalc ? ? U ZN . ZN ? ? ? 1_555 A GLU 318 OE1 ? ? A ZN 302 A GLU 659 1_555 ? ? ? ? ? ? ? 2.278 ? metalc7 metalc ? ? U ZN . ZN ? ? ? 1_555 Z HOH . O ? ? A ZN 302 A HOH 775 1_555 ? ? ? ? ? ? ? 2.084 ? metalc8 metalc ? ? V ZN . ZN ? ? ? 1_555 Z HOH . O ? ? A ZN 303 A HOH 929 1_555 ? ? ? ? ? ? ? 2.252 ? metalc9 metalc ? ? V ZN . ZN ? ? ? 1_555 A HIS 247 NE2 ? ? A ZN 303 A HIS 588 1_555 ? ? ? ? ? ? ? 2.053 ? metalc10 metalc ? ? V ZN . ZN ? ? ? 1_555 Z HOH . O ? ? A ZN 303 A HOH 840 1_555 ? ? ? ? ? ? ? 1.747 ? metalc11 metalc ? ? V ZN . ZN ? ? ? 1_555 Z HOH . O ? ? A ZN 303 A HOH 839 1_555 ? ? ? ? ? ? ? 1.721 ? metalc12 metalc ? ? W ZN . ZN ? ? ? 1_555 A TYR 1 O ? ? A ZN 304 A TYR 342 1_555 ? ? ? ? ? ? ? 2.059 ? metalc13 metalc ? ? W ZN . ZN ? ? ? 1_555 Z HOH . O ? ? A ZN 304 A HOH 925 1_555 ? ? ? ? ? ? ? 2.239 ? metalc14 metalc ? ? W ZN . ZN ? ? ? 1_555 Z HOH . O ? ? A ZN 304 A HOH 924 1_555 ? ? ? ? ? ? ? 2.450 ? metalc15 metalc ? ? W ZN . ZN ? ? ? 1_555 A HIS 265 NE2 ? ? A ZN 304 A HIS 606 1_555 ? ? ? ? ? ? ? 1.948 ? metalc16 metalc ? ? X FE . FE ? ? ? 1_555 Y CO3 . O1 ? ? A FE 692 A CO3 693 1_555 ? ? ? ? ? ? ? 2.192 ? metalc17 metalc ? ? X FE . FE ? ? ? 1_555 Y CO3 . O2 ? ? A FE 692 A CO3 693 1_555 ? ? ? ? ? ? ? 2.013 ? # 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 SER A 258 ? O SER A 599 N VAL A 67 ? N VAL A 408 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 ? ? ? ? 9 '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 3' AC4 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NDG A 4' AC5 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE MAN A 5' AC6 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE BMA A 6' AC7 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE BMA A 7' AC8 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG A 8' AC9 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG A 9' BC1 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE MAN A 10' BC2 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE BMA A 11' BC3 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE BMA A 12' BC4 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE MAN A 13' BC5 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 687' BC6 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG A 688' BC7 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG A 689' BC8 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 690' BC9 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NDG A 691' CC1 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE SO4 A 301' CC2 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE ZN A 302' CC3 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE ZN A 303' CC4 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE ZN A 304' CC5 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE FE A 692' CC6 Software ? ? ? ? 10 'BINDING SITE FOR RESIDUE CO3 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 9 NAG C . ? NAG A 2 . ? 1_555 ? 2 AC1 9 TYR A 1 ? TYR A 342 . ? 1_555 ? 3 AC1 9 SER A 24 ? SER A 365 . ? 1_555 ? 4 AC1 9 ASN A 27 ? ASN A 368 . ? 1_555 ? 5 AC1 9 HIS A 272 ? HIS A 613 . ? 1_555 ? 6 AC1 9 GLN A 273 ? GLN A 614 . ? 1_555 ? 7 AC1 9 LEU A 276 ? LEU A 617 . ? 1_555 ? 8 AC1 9 HOH Z . ? HOH A 957 . ? 1_555 ? 9 AC1 9 HOH Z . ? HOH A 960 . ? 1_555 ? 10 AC2 3 NAG B . ? NAG A 1 . ? 1_555 ? 11 AC2 3 TYR A 1 ? TYR A 342 . ? 1_555 ? 12 AC2 3 HOH Z . ? HOH A 752 . ? 1_555 ? 13 AC3 5 NDG E . ? NDG A 4 . ? 1_555 ? 14 AC3 5 ASN A 135 ? ASN A 476 . ? 1_555 ? 15 AC3 5 ALA A 327 ? ALA A 668 . ? 1_555 ? 16 AC3 5 ASN A 330 ? ASN A 671 . ? 1_555 ? 17 AC3 5 HOH Z . ? HOH A 786 . ? 1_555 ? 18 AC4 4 NAG D . ? NAG A 3 . ? 1_555 ? 19 AC4 4 MAN F . ? MAN A 5 . ? 1_555 ? 20 AC4 4 ASN A 330 ? ASN A 671 . ? 1_555 ? 21 AC4 4 HOH Z . ? HOH A 815 . ? 1_555 ? 22 AC5 5 NDG E . ? NDG A 4 . ? 1_555 ? 23 AC5 5 BMA G . ? BMA A 6 . ? 1_555 ? 24 AC5 5 BMA H . ? BMA A 7 . ? 1_555 ? 25 AC5 5 HOH Z . ? HOH A 815 . ? 1_555 ? 26 AC5 5 HOH Z . ? HOH A 842 . ? 1_555 ? 27 AC6 2 MAN F . ? MAN A 5 . ? 1_555 ? 28 AC6 2 BMA H . ? BMA A 7 . ? 1_555 ? 29 AC7 5 MAN F . ? MAN A 5 . ? 1_555 ? 30 AC7 5 BMA G . ? BMA A 6 . ? 1_555 ? 31 AC7 5 HOH Z . ? HOH A 804 . ? 1_555 ? 32 AC7 5 HOH Z . ? HOH A 842 . ? 1_555 ? 33 AC7 5 HOH Z . ? HOH A 956 . ? 1_555 ? 34 AC8 5 NAG J . ? NAG A 9 . ? 1_555 ? 35 AC8 5 LEU A 93 ? LEU A 434 . ? 1_555 ? 36 AC8 5 ASN A 204 ? ASN A 545 . ? 1_555 ? 37 AC8 5 ASP A 205 ? ASP A 546 . ? 1_555 ? 38 AC8 5 TRP A 208 ? TRP A 549 . ? 1_555 ? 39 AC9 3 NAG I . ? NAG A 8 . ? 1_555 ? 40 AC9 3 MAN K . ? MAN A 10 . ? 1_555 ? 41 AC9 3 TRP A 208 ? TRP A 549 . ? 1_555 ? 42 BC1 3 NAG J . ? NAG A 9 . ? 1_555 ? 43 BC1 3 BMA L . ? BMA A 11 . ? 1_555 ? 44 BC1 3 LYS A 75 ? LYS A 416 . ? 1_555 ? 45 BC2 2 MAN K . ? MAN A 10 . ? 1_555 ? 46 BC2 2 BMA M . ? BMA A 12 . ? 1_555 ? 47 BC3 2 BMA L . ? BMA A 11 . ? 1_555 ? 48 BC3 2 MAN N . ? MAN A 13 . ? 1_555 ? 49 BC4 1 BMA M . ? BMA A 12 . ? 1_555 ? 50 BC5 4 LYS A 157 ? LYS A 498 . ? 1_565 ? 51 BC5 4 NAG P . ? NAG A 688 . ? 1_555 ? 52 BC5 4 HOH Z . ? HOH A 967 . ? 1_555 ? 53 BC5 4 HOH Z . ? HOH A 968 . ? 1_555 ? 54 BC6 6 GLU A 318 ? GLU A 659 . ? 1_555 ? 55 BC6 6 THR A 322 ? THR A 663 . ? 1_555 ? 56 BC6 6 NAG O . ? NAG A 687 . ? 1_555 ? 57 BC6 6 NAG Q . ? NAG A 689 . ? 1_555 ? 58 BC6 6 HOH Z . ? HOH A 966 . ? 1_555 ? 59 BC6 6 HOH Z . ? HOH A 968 . ? 1_555 ? 60 BC7 6 GLU A 318 ? GLU A 659 . ? 1_555 ? 61 BC7 6 THR A 322 ? THR A 663 . ? 1_555 ? 62 BC7 6 NAG P . ? NAG A 688 . ? 1_555 ? 63 BC7 6 NAG R . ? NAG A 690 . ? 1_555 ? 64 BC7 6 HOH Z . ? HOH A 836 . ? 1_555 ? 65 BC7 6 HOH Z . ? HOH A 965 . ? 1_555 ? 66 BC8 4 NAG Q . ? NAG A 689 . ? 1_555 ? 67 BC8 4 NDG S . ? NDG A 691 . ? 1_555 ? 68 BC8 4 HOH Z . ? HOH A 845 . ? 1_555 ? 69 BC8 4 HOH Z . ? HOH A 965 . ? 1_555 ? 70 BC9 6 PRO A 88 ? PRO A 429 . ? 1_555 ? 71 BC9 6 THR A 89 ? THR A 430 . ? 1_555 ? 72 BC9 6 LEU A 310 ? LEU A 651 . ? 1_555 ? 73 BC9 6 GLY A 311 ? GLY A 652 . ? 1_555 ? 74 BC9 6 NAG R . ? NAG A 690 . ? 1_555 ? 75 BC9 6 HOH Z . ? HOH A 910 . ? 1_565 ? 76 CC1 4 ARG A 229 ? ARG A 570 . ? 1_555 ? 77 CC1 4 ARG A 237 ? ARG A 578 . ? 1_555 ? 78 CC1 4 HOH Z . ? HOH A 791 . ? 1_555 ? 79 CC1 4 HOH Z . ? HOH A 868 . ? 1_555 ? 80 CC2 2 GLU A 318 ? GLU A 659 . ? 1_555 ? 81 CC2 2 HOH Z . ? HOH A 775 . ? 1_555 ? 82 CC3 4 HIS A 247 ? HIS A 588 . ? 1_555 ? 83 CC3 4 HOH Z . ? HOH A 839 . ? 1_555 ? 84 CC3 4 HOH Z . ? HOH A 840 . ? 1_555 ? 85 CC3 4 HOH Z . ? HOH A 929 . ? 1_555 ? 86 CC4 6 TYR A 1 ? TYR A 342 . ? 1_555 ? 87 CC4 6 THR A 2 ? THR A 343 . ? 1_555 ? 88 CC4 6 ARG A 3 ? ARG A 344 . ? 1_555 ? 89 CC4 6 HIS A 265 ? HIS A 606 . ? 1_555 ? 90 CC4 6 HOH Z . ? HOH A 924 . ? 1_555 ? 91 CC4 6 HOH Z . ? HOH A 925 . ? 1_555 ? 92 CC5 5 ASP A 54 ? ASP A 395 . ? 1_555 ? 93 CC5 5 TYR A 92 ? TYR A 433 . ? 1_555 ? 94 CC5 5 TYR A 185 ? TYR A 526 . ? 1_555 ? 95 CC5 5 HIS A 254 ? HIS A 595 . ? 1_555 ? 96 CC5 5 CO3 Y . ? CO3 A 693 . ? 1_555 ? 97 CC6 10 ASP A 54 ? ASP A 395 . ? 1_555 ? 98 CC6 10 TYR A 92 ? TYR A 433 . ? 1_555 ? 99 CC6 10 THR A 118 ? THR A 459 . ? 1_555 ? 100 CC6 10 ARG A 122 ? ARG A 463 . ? 1_555 ? 101 CC6 10 THR A 123 ? THR A 464 . ? 1_555 ? 102 CC6 10 ALA A 124 ? ALA A 465 . ? 1_555 ? 103 CC6 10 GLY A 125 ? GLY A 466 . ? 1_555 ? 104 CC6 10 TYR A 185 ? TYR A 526 . ? 1_555 ? 105 CC6 10 HIS A 254 ? HIS A 595 . ? 1_555 ? 106 CC6 10 FE X . ? FE A 692 . ? 1_555 ? # _database_PDB_matrix.entry_id 2FA7 _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 2FA7 _atom_sites.fract_transf_matrix[1][1] 0.015883 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.005008 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.019802 _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] 0.015921 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C FE N O S ZN # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . TYR A 1 1 ? 43.390 11.233 29.479 1.00 53.13 ? 342 TYR A N 1 ATOM 2 C CA . TYR A 1 1 ? 42.468 12.275 29.024 1.00 52.91 ? 342 TYR A CA 1 ATOM 3 C C . TYR A 1 1 ? 41.138 11.730 28.631 1.00 51.61 ? 342 TYR A C 1 ATOM 4 O O . TYR A 1 1 ? 40.273 11.452 29.480 1.00 52.07 ? 342 TYR A O 1 ATOM 5 C CB . TYR A 1 1 ? 43.002 12.982 27.746 1.00 53.61 ? 342 TYR A CB 1 ATOM 6 C CG . TYR A 1 1 ? 43.485 11.984 26.719 1.00 56.26 ? 342 TYR A CG 1 ATOM 7 C CD1 . TYR A 1 1 ? 42.614 11.039 26.180 1.00 58.64 ? 342 TYR A CD1 1 ATOM 8 C CD2 . TYR A 1 1 ? 44.814 11.953 26.293 1.00 58.37 ? 342 TYR A CD2 1 ATOM 9 C CE1 . TYR A 1 1 ? 43.041 10.106 25.232 1.00 60.22 ? 342 TYR A CE1 1 ATOM 10 C CE2 . TYR A 1 1 ? 45.256 11.024 25.369 1.00 60.15 ? 342 TYR A CE2 1 ATOM 11 C CZ . TYR A 1 1 ? 44.365 10.103 24.844 1.00 61.04 ? 342 TYR A CZ 1 ATOM 12 O OH . TYR A 1 1 ? 44.804 9.177 23.927 1.00 62.62 ? 342 TYR A OH 1 ATOM 13 N N . THR A 1 2 ? 40.993 11.562 27.364 1.00 50.00 ? 343 THR A N 1 ATOM 14 C CA . THR A 1 2 ? 39.725 11.081 26.978 1.00 48.17 ? 343 THR A CA 1 ATOM 15 C C . THR A 1 2 ? 39.748 9.629 26.485 1.00 46.40 ? 343 THR A C 1 ATOM 16 O O . THR A 1 2 ? 40.350 9.302 25.448 1.00 46.88 ? 343 THR A O 1 ATOM 17 C CB . THR A 1 2 ? 39.122 12.019 25.935 1.00 48.49 ? 343 THR A CB 1 ATOM 18 O OG1 . THR A 1 2 ? 39.778 11.829 24.672 1.00 49.80 ? 343 THR A OG1 1 ATOM 19 C CG2 . THR A 1 2 ? 39.287 13.459 26.374 1.00 48.71 ? 343 THR A CG2 1 ATOM 20 N N . ARG A 1 3 ? 39.056 8.780 27.233 1.00 43.48 ? 344 ARG A N 1 ATOM 21 C CA . ARG A 1 3 ? 38.848 7.370 26.934 1.00 40.66 ? 344 ARG A CA 1 ATOM 22 C C . ARG A 1 3 ? 37.328 7.055 27.069 1.00 37.88 ? 344 ARG A C 1 ATOM 23 O O . ARG A 1 3 ? 36.753 7.404 28.091 1.00 37.83 ? 344 ARG A O 1 ATOM 24 C CB . ARG A 1 3 ? 39.655 6.476 27.911 1.00 41.22 ? 344 ARG A CB 1 ATOM 25 C CG . ARG A 1 3 ? 40.088 5.098 27.371 1.00 44.12 ? 344 ARG A CG 1 ATOM 26 C CD . ARG A 1 3 ? 40.808 4.251 28.417 1.00 48.66 ? 344 ARG A CD 1 ATOM 27 N NE . ARG A 1 3 ? 39.889 3.650 29.395 1.00 52.33 ? 344 ARG A NE 1 ATOM 28 C CZ . ARG A 1 3 ? 39.876 2.384 29.811 1.00 53.72 ? 344 ARG A CZ 1 ATOM 29 N NH1 . ARG A 1 3 ? 40.739 1.511 29.313 1.00 54.75 ? 344 ARG A NH1 1 ATOM 30 N NH2 . ARG A 1 3 ? 39.000 1.985 30.726 1.00 53.92 ? 344 ARG A NH2 1 ATOM 31 N N . VAL A 1 4 ? 36.639 6.422 26.061 1.00 34.01 ? 345 VAL A N 1 ATOM 32 C CA . VAL A 1 4 ? 35.190 6.085 26.126 1.00 30.26 ? 345 VAL A CA 1 ATOM 33 C C . VAL A 1 4 ? 34.941 4.581 26.186 1.00 28.20 ? 345 VAL A C 1 ATOM 34 O O . VAL A 1 4 ? 35.553 3.820 25.421 1.00 27.49 ? 345 VAL A O 1 ATOM 35 C CB . VAL A 1 4 ? 34.432 6.734 24.924 1.00 30.40 ? 345 VAL A CB 1 ATOM 36 C CG1 . VAL A 1 4 ? 33.146 5.970 24.642 1.00 30.25 ? 345 VAL A CG1 1 ATOM 37 C CG2 . VAL A 1 4 ? 34.135 8.200 25.210 1.00 29.60 ? 345 VAL A CG2 1 ATOM 38 N N . VAL A 1 5 ? 34.039 4.152 27.094 1.00 25.80 ? 346 VAL A N 1 ATOM 39 C CA . VAL A 1 5 ? 33.672 2.744 27.192 1.00 23.84 ? 346 VAL A CA 1 ATOM 40 C C . VAL A 1 5 ? 32.322 2.521 26.495 1.00 22.77 ? 346 VAL A C 1 ATOM 41 O O . VAL A 1 5 ? 31.312 3.115 26.869 1.00 22.77 ? 346 VAL A O 1 ATOM 42 C CB . VAL A 1 5 ? 33.596 2.279 28.651 1.00 23.65 ? 346 VAL A CB 1 ATOM 43 C CG1 . VAL A 1 5 ? 33.250 0.797 28.723 1.00 22.65 ? 346 VAL A CG1 1 ATOM 44 C CG2 . VAL A 1 5 ? 34.902 2.553 29.360 1.00 22.55 ? 346 VAL A CG2 1 ATOM 45 N N . TRP A 1 6 ? 32.324 1.692 25.462 1.00 21.29 ? 347 TRP A N 1 ATOM 46 C CA . TRP A 1 6 ? 31.121 1.421 24.675 1.00 19.96 ? 347 TRP A CA 1 ATOM 47 C C . TRP A 1 6 ? 30.423 0.197 25.212 1.00 19.24 ? 347 TRP A C 1 ATOM 48 O O . TRP A 1 6 ? 31.069 -0.714 25.698 1.00 19.76 ? 347 TRP A O 1 ATOM 49 C CB . TRP A 1 6 ? 31.482 1.162 23.206 1.00 19.61 ? 347 TRP A CB 1 ATOM 50 C CG . TRP A 1 6 ? 30.344 1.500 22.289 1.00 17.80 ? 347 TRP A CG 1 ATOM 51 C CD1 . TRP A 1 6 ? 29.457 0.629 21.706 1.00 13.75 ? 347 TRP A CD1 1 ATOM 52 C CD2 . TRP A 1 6 ? 29.950 2.810 21.873 1.00 14.04 ? 347 TRP A CD2 1 ATOM 53 N NE1 . TRP A 1 6 ? 28.556 1.329 20.940 1.00 14.16 ? 347 TRP A NE1 1 ATOM 54 C CE2 . TRP A 1 6 ? 28.834 2.668 21.035 1.00 13.88 ? 347 TRP A CE2 1 ATOM 55 C CE3 . TRP A 1 6 ? 30.443 4.086 22.109 1.00 14.97 ? 347 TRP A CE3 1 ATOM 56 C CZ2 . TRP A 1 6 ? 28.208 3.748 20.445 1.00 15.90 ? 347 TRP A CZ2 1 ATOM 57 C CZ3 . TRP A 1 6 ? 29.801 5.172 21.526 1.00 15.35 ? 347 TRP A CZ3 1 ATOM 58 C CH2 . TRP A 1 6 ? 28.703 4.994 20.710 1.00 15.64 ? 347 TRP A CH2 1 ATOM 59 N N . CYS A 1 7 ? 29.106 0.158 25.136 1.00 18.32 ? 348 CYS A N 1 ATOM 60 C CA . CYS A 1 7 ? 28.416 -1.025 25.605 1.00 17.58 ? 348 CYS A CA 1 ATOM 61 C C . CYS A 1 7 ? 27.886 -1.886 24.467 1.00 17.54 ? 348 CYS A C 1 ATOM 62 O O . CYS A 1 7 ? 26.952 -1.518 23.780 1.00 17.66 ? 348 CYS A O 1 ATOM 63 C CB . CYS A 1 7 ? 27.277 -0.673 26.560 1.00 17.46 ? 348 CYS A CB 1 ATOM 64 S SG . CYS A 1 7 ? 26.867 -2.148 27.504 1.00 17.07 ? 348 CYS A SG 1 ATOM 65 N N . ALA A 1 8 ? 28.474 -3.054 24.286 1.00 17.61 ? 349 ALA A N 1 ATOM 66 C CA . ALA A 1 8 ? 28.063 -3.925 23.198 1.00 17.08 ? 349 ALA A CA 1 ATOM 67 C C . ALA A 1 8 ? 27.009 -4.888 23.691 1.00 16.69 ? 349 ALA A C 1 ATOM 68 O O . ALA A 1 8 ? 27.109 -5.383 24.789 1.00 16.67 ? 349 ALA A O 1 ATOM 69 C CB . ALA A 1 8 ? 29.283 -4.677 22.616 1.00 16.50 ? 349 ALA A CB 1 ATOM 70 N N . VAL A 1 9 ? 26.008 -5.152 22.856 1.00 16.82 ? 350 VAL A N 1 ATOM 71 C CA . VAL A 1 9 ? 24.916 -6.032 23.200 1.00 16.24 ? 350 VAL A CA 1 ATOM 72 C C . VAL A 1 9 ? 25.061 -7.372 22.497 1.00 16.78 ? 350 VAL A C 1 ATOM 73 O O . VAL A 1 9 ? 24.867 -7.467 21.289 1.00 15.67 ? 350 VAL A O 1 ATOM 74 C CB . VAL A 1 9 ? 23.593 -5.421 22.761 1.00 16.23 ? 350 VAL A CB 1 ATOM 75 C CG1 . VAL A 1 9 ? 22.426 -6.372 23.093 1.00 14.86 ? 350 VAL A CG1 1 ATOM 76 C CG2 . VAL A 1 9 ? 23.417 -4.060 23.409 1.00 15.20 ? 350 VAL A CG2 1 ATOM 77 N N . GLY A 1 10 ? 25.392 -8.408 23.269 1.00 17.37 ? 351 GLY A N 1 ATOM 78 C CA . GLY A 1 10 ? 25.607 -9.733 22.726 1.00 17.89 ? 351 GLY A CA 1 ATOM 79 C C . GLY A 1 10 ? 27.002 -9.900 22.148 1.00 18.80 ? 351 GLY A C 1 ATOM 80 O O . GLY A 1 10 ? 27.721 -8.927 21.932 1.00 18.31 ? 351 GLY A O 1 ATOM 81 N N . PRO A 1 11 ? 27.351 -11.153 21.861 1.00 19.48 ? 352 PRO A N 1 ATOM 82 C CA . PRO A 1 11 ? 28.686 -11.550 21.386 1.00 19.49 ? 352 PRO A CA 1 ATOM 83 C C . PRO A 1 11 ? 29.126 -11.011 20.027 1.00 19.82 ? 352 PRO A C 1 ATOM 84 O O . PRO A 1 11 ? 30.317 -10.809 19.809 1.00 19.51 ? 352 PRO A O 1 ATOM 85 C CB . PRO A 1 11 ? 28.585 -13.081 21.289 1.00 19.72 ? 352 PRO A CB 1 ATOM 86 C CG . PRO A 1 11 ? 27.362 -13.458 22.110 1.00 20.64 ? 352 PRO A CG 1 ATOM 87 C CD . PRO A 1 11 ? 26.427 -12.295 21.994 1.00 19.49 ? 352 PRO A CD 1 ATOM 88 N N . GLU A 1 12 ? 28.208 -10.823 19.092 1.00 20.28 ? 353 GLU A N 1 ATOM 89 C CA . GLU A 1 12 ? 28.646 -10.311 17.802 1.00 20.78 ? 353 GLU A CA 1 ATOM 90 C C . GLU A 1 12 ? 29.016 -8.858 17.903 1.00 20.56 ? 353 GLU A C 1 ATOM 91 O O . GLU A 1 12 ? 30.009 -8.434 17.317 1.00 20.83 ? 353 GLU A O 1 ATOM 92 C CB . GLU A 1 12 ? 27.615 -10.557 16.705 1.00 21.33 ? 353 GLU A CB 1 ATOM 93 C CG . GLU A 1 12 ? 27.405 -12.040 16.432 1.00 22.50 ? 353 GLU A CG 1 ATOM 94 C CD . GLU A 1 12 ? 26.530 -12.280 15.221 1.00 23.49 ? 353 GLU A CD 1 ATOM 95 O OE1 . GLU A 1 12 ? 25.581 -11.505 15.014 1.00 21.13 ? 353 GLU A OE1 1 ATOM 96 O OE2 . GLU A 1 12 ? 26.813 -13.237 14.465 1.00 26.14 ? 353 GLU A OE2 1 ATOM 97 N N . GLU A 1 13 ? 28.239 -8.089 18.659 1.00 20.32 ? 354 GLU A N 1 ATOM 98 C CA . GLU A 1 13 ? 28.597 -6.693 18.859 1.00 20.44 ? 354 GLU A CA 1 ATOM 99 C C . GLU A 1 13 ? 29.895 -6.652 19.607 1.00 20.98 ? 354 GLU A C 1 ATOM 100 O O . GLU A 1 13 ? 30.761 -5.843 19.312 1.00 20.85 ? 354 GLU A O 1 ATOM 101 C CB . GLU A 1 13 ? 27.527 -5.943 19.657 1.00 20.14 ? 354 GLU A CB 1 ATOM 102 C CG . GLU A 1 13 ? 26.291 -5.675 18.826 1.00 19.43 ? 354 GLU A CG 1 ATOM 103 C CD . GLU A 1 13 ? 25.537 -4.443 19.247 1.00 17.69 ? 354 GLU A CD 1 ATOM 104 O OE1 . GLU A 1 13 ? 25.756 -3.940 20.382 1.00 19.06 ? 354 GLU A OE1 1 ATOM 105 O OE2 . GLU A 1 13 ? 24.718 -3.993 18.425 1.00 15.25 ? 354 GLU A OE2 1 ATOM 106 N N . GLN A 1 14 ? 30.017 -7.514 20.611 1.00 22.00 ? 355 GLN A N 1 ATOM 107 C CA . GLN A 1 14 ? 31.241 -7.549 21.387 1.00 23.18 ? 355 GLN A CA 1 ATOM 108 C C . GLN A 1 14 ? 32.443 -7.639 20.464 1.00 23.31 ? 355 GLN A C 1 ATOM 109 O O . GLN A 1 14 ? 33.367 -6.853 20.577 1.00 23.38 ? 355 GLN A O 1 ATOM 110 C CB . GLN A 1 14 ? 31.259 -8.708 22.383 1.00 23.64 ? 355 GLN A CB 1 ATOM 111 C CG . GLN A 1 14 ? 32.421 -8.585 23.371 1.00 26.47 ? 355 GLN A CG 1 ATOM 112 C CD . GLN A 1 14 ? 32.700 -9.868 24.100 1.00 30.40 ? 355 GLN A CD 1 ATOM 113 O OE1 . GLN A 1 14 ? 32.783 -10.930 23.488 1.00 33.49 ? 355 GLN A OE1 1 ATOM 114 N NE2 . GLN A 1 14 ? 32.852 -9.784 25.410 1.00 32.92 ? 355 GLN A NE2 1 ATOM 115 N N . LYS A 1 15 ? 32.408 -8.593 19.544 1.00 23.67 ? 356 LYS A N 1 ATOM 116 C CA . LYS A 1 15 ? 33.488 -8.800 18.599 1.00 24.39 ? 356 LYS A CA 1 ATOM 117 C C . LYS A 1 15 ? 33.776 -7.584 17.735 1.00 24.22 ? 356 LYS A C 1 ATOM 118 O O . LYS A 1 15 ? 34.938 -7.255 17.487 1.00 24.72 ? 356 LYS A O 1 ATOM 119 C CB . LYS A 1 15 ? 33.181 -9.993 17.702 1.00 24.93 ? 356 LYS A CB 1 ATOM 120 C CG . LYS A 1 15 ? 34.404 -10.785 17.327 1.00 28.27 ? 356 LYS A CG 1 ATOM 121 C CD . LYS A 1 15 ? 34.586 -10.837 15.821 1.00 31.82 ? 356 LYS A CD 1 ATOM 122 C CE . LYS A 1 15 ? 35.044 -12.225 15.400 1.00 35.29 ? 356 LYS A CE 1 ATOM 123 N NZ . LYS A 1 15 ? 34.848 -12.454 13.943 1.00 38.35 ? 356 LYS A NZ 1 ATOM 124 N N . LYS A 1 16 ? 32.734 -6.918 17.254 1.00 23.59 ? 357 LYS A N 1 ATOM 125 C CA . LYS A 1 16 ? 32.977 -5.755 16.425 1.00 22.80 ? 357 LYS A CA 1 ATOM 126 C C . LYS A 1 16 ? 33.608 -4.670 17.287 1.00 23.10 ? 357 LYS A C 1 ATOM 127 O O . LYS A 1 16 ? 34.532 -3.994 16.854 1.00 23.62 ? 357 LYS A O 1 ATOM 128 C CB . LYS A 1 16 ? 31.701 -5.260 15.717 1.00 22.26 ? 357 LYS A CB 1 ATOM 129 C CG . LYS A 1 16 ? 31.962 -4.120 14.707 1.00 20.89 ? 357 LYS A CG 1 ATOM 130 C CD . LYS A 1 16 ? 30.696 -3.670 13.962 1.00 20.15 ? 357 LYS A CD 1 ATOM 131 C CE . LYS A 1 16 ? 30.884 -2.271 13.313 1.00 20.96 ? 357 LYS A CE 1 ATOM 132 N NZ . LYS A 1 16 ? 29.682 -1.828 12.494 1.00 21.50 ? 357 LYS A NZ 1 ATOM 133 N N . CYS A 1 17 ? 33.127 -4.521 18.514 1.00 23.29 ? 358 CYS A N 1 ATOM 134 C CA . CYS A 1 17 ? 33.629 -3.483 19.402 1.00 23.86 ? 358 CYS A CA 1 ATOM 135 C C . CYS A 1 17 ? 35.103 -3.677 19.702 1.00 24.82 ? 358 CYS A C 1 ATOM 136 O O . CYS A 1 17 ? 35.860 -2.714 19.722 1.00 25.04 ? 358 CYS A O 1 ATOM 137 C CB . CYS A 1 17 ? 32.831 -3.442 20.714 1.00 23.73 ? 358 CYS A CB 1 ATOM 138 S SG . CYS A 1 17 ? 33.364 -2.117 21.814 1.00 21.70 ? 358 CYS A SG 1 ATOM 139 N N . GLN A 1 18 ? 35.495 -4.926 19.937 1.00 25.81 ? 359 GLN A N 1 ATOM 140 C CA . GLN A 1 18 ? 36.886 -5.283 20.208 1.00 27.26 ? 359 GLN A CA 1 ATOM 141 C C . GLN A 1 18 ? 37.819 -4.817 19.089 1.00 27.99 ? 359 GLN A C 1 ATOM 142 O O . GLN A 1 18 ? 38.934 -4.350 19.337 1.00 28.07 ? 359 GLN A O 1 ATOM 143 C CB . GLN A 1 18 ? 37.022 -6.807 20.379 1.00 27.26 ? 359 GLN A CB 1 ATOM 144 C CG . GLN A 1 18 ? 37.161 -7.281 21.809 1.00 29.31 ? 359 GLN A CG 1 ATOM 145 C CD . GLN A 1 18 ? 36.953 -8.786 21.970 1.00 32.70 ? 359 GLN A CD 1 ATOM 146 O OE1 . GLN A 1 18 ? 36.922 -9.529 20.985 1.00 37.91 ? 359 GLN A OE1 1 ATOM 147 N NE2 . GLN A 1 18 ? 36.789 -9.233 23.209 1.00 32.78 ? 359 GLN A NE2 1 ATOM 148 N N . GLN A 1 19 ? 37.367 -4.971 17.852 1.00 28.67 ? 360 GLN A N 1 ATOM 149 C CA . GLN A 1 19 ? 38.156 -4.557 16.712 1.00 29.94 ? 360 GLN A CA 1 ATOM 150 C C . GLN A 1 19 ? 38.311 -3.035 16.666 1.00 29.93 ? 360 GLN A C 1 ATOM 151 O O . GLN A 1 19 ? 39.402 -2.508 16.430 1.00 29.62 ? 360 GLN A O 1 ATOM 152 C CB . GLN A 1 19 ? 37.493 -5.038 15.427 1.00 30.43 ? 360 GLN A CB 1 ATOM 153 C CG . GLN A 1 19 ? 37.762 -6.487 15.078 1.00 34.73 ? 360 GLN A CG 1 ATOM 154 C CD . GLN A 1 19 ? 36.771 -7.027 14.053 1.00 40.02 ? 360 GLN A CD 1 ATOM 155 O OE1 . GLN A 1 19 ? 37.166 -7.462 12.965 1.00 41.97 ? 360 GLN A OE1 1 ATOM 156 N NE2 . GLN A 1 19 ? 35.478 -6.996 14.396 1.00 41.38 ? 360 GLN A NE2 1 ATOM 157 N N . TRP A 1 20 ? 37.197 -2.337 16.854 1.00 29.88 ? 361 TRP A N 1 ATOM 158 C CA . TRP A 1 20 ? 37.201 -0.887 16.864 1.00 29.66 ? 361 TRP A CA 1 ATOM 159 C C . TRP A 1 20 ? 38.125 -0.492 17.997 1.00 30.29 ? 361 TRP A C 1 ATOM 160 O O . TRP A 1 20 ? 38.882 0.474 17.897 1.00 30.52 ? 361 TRP A O 1 ATOM 161 C CB . TRP A 1 20 ? 35.772 -0.386 17.106 1.00 29.05 ? 361 TRP A CB 1 ATOM 162 C CG . TRP A 1 20 ? 35.604 1.100 17.262 1.00 27.76 ? 361 TRP A CG 1 ATOM 163 C CD1 . TRP A 1 20 ? 36.461 2.086 16.855 1.00 26.83 ? 361 TRP A CD1 1 ATOM 164 C CD2 . TRP A 1 20 ? 34.483 1.770 17.860 1.00 26.29 ? 361 TRP A CD2 1 ATOM 165 N NE1 . TRP A 1 20 ? 35.942 3.323 17.169 1.00 27.00 ? 361 TRP A NE1 1 ATOM 166 C CE2 . TRP A 1 20 ? 34.730 3.158 17.786 1.00 25.82 ? 361 TRP A CE2 1 ATOM 167 C CE3 . TRP A 1 20 ? 33.294 1.336 18.452 1.00 25.95 ? 361 TRP A CE3 1 ATOM 168 C CZ2 . TRP A 1 20 ? 33.837 4.112 18.289 1.00 26.54 ? 361 TRP A CZ2 1 ATOM 169 C CZ3 . TRP A 1 20 ? 32.398 2.295 18.945 1.00 27.17 ? 361 TRP A CZ3 1 ATOM 170 C CH2 . TRP A 1 20 ? 32.682 3.662 18.866 1.00 24.82 ? 361 TRP A CH2 1 ATOM 171 N N . SER A 1 21 ? 38.077 -1.263 19.074 1.00 30.65 ? 362 SER A N 1 ATOM 172 C CA . SER A 1 21 ? 38.903 -0.969 20.228 1.00 31.81 ? 362 SER A CA 1 ATOM 173 C C . SER A 1 21 ? 40.381 -1.027 19.883 1.00 32.84 ? 362 SER A C 1 ATOM 174 O O . SER A 1 21 ? 41.136 -0.080 20.142 1.00 32.52 ? 362 SER A O 1 ATOM 175 C CB . SER A 1 21 ? 38.616 -1.938 21.370 1.00 31.30 ? 362 SER A CB 1 ATOM 176 O OG . SER A 1 21 ? 39.415 -1.597 22.479 1.00 30.89 ? 362 SER A OG 1 ATOM 177 N N . GLN A 1 22 ? 40.796 -2.152 19.311 1.00 34.24 ? 363 GLN A N 1 ATOM 178 C CA . GLN A 1 22 ? 42.186 -2.316 18.924 1.00 35.89 ? 363 GLN A CA 1 ATOM 179 C C . GLN A 1 22 ? 42.644 -1.284 17.897 1.00 35.92 ? 363 GLN A C 1 ATOM 180 O O . GLN A 1 22 ? 43.805 -0.891 17.899 1.00 36.18 ? 363 GLN A O 1 ATOM 181 C CB . GLN A 1 22 ? 42.451 -3.714 18.376 1.00 36.62 ? 363 GLN A CB 1 ATOM 182 C CG . GLN A 1 22 ? 43.679 -3.747 17.478 1.00 39.78 ? 363 GLN A CG 1 ATOM 183 C CD . GLN A 1 22 ? 44.368 -5.098 17.482 1.00 45.08 ? 363 GLN A CD 1 ATOM 184 O OE1 . GLN A 1 22 ? 43.736 -6.127 17.759 1.00 47.74 ? 363 GLN A OE1 1 ATOM 185 N NE2 . GLN A 1 22 ? 45.669 -5.102 17.180 1.00 45.63 ? 363 GLN A NE2 1 ATOM 186 N N . GLN A 1 23 ? 41.739 -0.856 17.023 1.00 36.14 ? 364 GLN A N 1 ATOM 187 C CA . GLN A 1 23 ? 42.067 0.129 15.993 1.00 36.65 ? 364 GLN A CA 1 ATOM 188 C C . GLN A 1 23 ? 42.184 1.549 16.523 1.00 36.47 ? 364 GLN A C 1 ATOM 189 O O . GLN A 1 23 ? 42.939 2.352 15.984 1.00 36.88 ? 364 GLN A O 1 ATOM 190 C CB . GLN A 1 23 ? 41.024 0.122 14.874 1.00 36.95 ? 364 GLN A CB 1 ATOM 191 C CG . GLN A 1 23 ? 41.010 -1.129 14.033 1.00 38.36 ? 364 GLN A CG 1 ATOM 192 C CD . GLN A 1 23 ? 42.335 -1.398 13.355 1.00 40.84 ? 364 GLN A CD 1 ATOM 193 O OE1 . GLN A 1 23 ? 43.008 -0.474 12.893 1.00 40.93 ? 364 GLN A OE1 1 ATOM 194 N NE2 . GLN A 1 23 ? 42.713 -2.673 13.284 1.00 42.77 ? 364 GLN A NE2 1 ATOM 195 N N . SER A 1 24 ? 41.415 1.865 17.558 1.00 36.24 ? 365 SER A N 1 ATOM 196 C CA . SER A 1 24 ? 41.436 3.190 18.161 1.00 35.95 ? 365 SER A CA 1 ATOM 197 C C . SER A 1 24 ? 42.590 3.328 19.147 1.00 36.12 ? 365 SER A C 1 ATOM 198 O O . SER A 1 24 ? 42.671 4.307 19.883 1.00 35.91 ? 365 SER A O 1 ATOM 199 C CB . SER A 1 24 ? 40.131 3.428 18.911 1.00 36.24 ? 365 SER A CB 1 ATOM 200 O OG . SER A 1 24 ? 40.011 2.537 20.018 1.00 36.15 ? 365 SER A OG 1 ATOM 201 N N . GLY A 1 25 ? 43.473 2.338 19.178 1.00 36.27 ? 366 GLY A N 1 ATOM 202 C CA . GLY A 1 25 ? 44.583 2.362 20.107 1.00 36.35 ? 366 GLY A CA 1 ATOM 203 C C . GLY A 1 25 ? 44.060 2.506 21.521 1.00 36.66 ? 366 GLY A C 1 ATOM 204 O O . GLY A 1 25 ? 44.672 3.166 22.370 1.00 36.84 ? 366 GLY A O 1 ATOM 205 N N . GLN A 1 26 ? 42.904 1.899 21.768 1.00 36.47 ? 367 GLN A N 1 ATOM 206 C CA . GLN A 1 26 ? 42.311 1.913 23.090 1.00 36.21 ? 367 GLN A CA 1 ATOM 207 C C . GLN A 1 26 ? 41.675 3.246 23.437 1.00 35.14 ? 367 GLN A C 1 ATOM 208 O O . GLN A 1 26 ? 41.368 3.490 24.595 1.00 35.37 ? 367 GLN A O 1 ATOM 209 C CB . GLN A 1 26 ? 43.353 1.542 24.147 1.00 36.93 ? 367 GLN A CB 1 ATOM 210 C CG . GLN A 1 26 ? 43.266 0.110 24.690 1.00 39.75 ? 367 GLN A CG 1 ATOM 211 C CD . GLN A 1 26 ? 42.966 -0.913 23.612 1.00 44.43 ? 367 GLN A CD 1 ATOM 212 O OE1 . GLN A 1 26 ? 43.264 -0.695 22.434 1.00 46.23 ? 367 GLN A OE1 1 ATOM 213 N NE2 . GLN A 1 26 ? 42.371 -2.034 24.010 1.00 46.03 ? 367 GLN A NE2 1 ATOM 214 N N . ASN A 1 27 ? 41.477 4.117 22.457 1.00 33.90 ? 368 ASN A N 1 ATOM 215 C CA . ASN A 1 27 ? 40.767 5.366 22.742 1.00 33.25 ? 368 ASN A CA 1 ATOM 216 C C . ASN A 1 27 ? 39.311 5.032 23.094 1.00 31.33 ? 368 ASN A C 1 ATOM 217 O O . ASN A 1 27 ? 38.654 5.735 23.847 1.00 30.71 ? 368 ASN A O 1 ATOM 218 C CB . ASN A 1 27 ? 40.872 6.373 21.589 1.00 33.63 ? 368 ASN A CB 1 ATOM 219 C CG . ASN A 1 27 ? 42.155 7.179 21.639 1.00 38.02 ? 368 ASN A CG 1 ATOM 220 O OD1 . ASN A 1 27 ? 42.868 7.172 22.651 1.00 39.25 ? 368 ASN A OD1 1 ATOM 221 N ND2 . ASN A 1 27 ? 42.464 7.878 20.546 1.00 44.58 ? 368 ASN A ND2 1 ATOM 222 N N . VAL A 1 28 ? 38.833 3.929 22.535 1.00 29.75 ? 369 VAL A N 1 ATOM 223 C CA . VAL A 1 28 ? 37.533 3.384 22.873 1.00 28.01 ? 369 VAL A CA 1 ATOM 224 C C . VAL A 1 28 ? 37.736 1.977 23.394 1.00 26.76 ? 369 VAL A C 1 ATOM 225 O O . VAL A 1 28 ? 38.590 1.241 22.904 1.00 25.78 ? 369 VAL A O 1 ATOM 226 C CB . VAL A 1 28 ? 36.624 3.295 21.650 1.00 27.90 ? 369 VAL A CB 1 ATOM 227 C CG1 . VAL A 1 28 ? 35.420 2.387 21.946 1.00 27.57 ? 369 VAL A CG1 1 ATOM 228 C CG2 . VAL A 1 28 ? 36.163 4.698 21.238 1.00 28.87 ? 369 VAL A CG2 1 ATOM 229 N N . THR A 1 29 ? 36.944 1.595 24.380 1.00 25.99 ? 370 THR A N 1 ATOM 230 C CA . THR A 1 29 ? 37.013 0.230 24.885 1.00 25.61 ? 370 THR A CA 1 ATOM 231 C C . THR A 1 29 ? 35.612 -0.337 25.097 1.00 24.67 ? 370 THR A C 1 ATOM 232 O O . THR A 1 29 ? 34.624 0.385 24.940 1.00 24.73 ? 370 THR A O 1 ATOM 233 C CB . THR A 1 29 ? 37.876 0.148 26.134 1.00 25.59 ? 370 THR A CB 1 ATOM 234 O OG1 . THR A 1 29 ? 37.705 -1.142 26.719 1.00 30.11 ? 370 THR A OG1 1 ATOM 235 C CG2 . THR A 1 29 ? 37.346 1.073 27.194 1.00 25.35 ? 370 THR A CG2 1 ATOM 236 N N . CYS A 1 30 ? 35.529 -1.607 25.483 1.00 23.74 ? 371 CYS A N 1 ATOM 237 C CA . CYS A 1 30 ? 34.250 -2.323 25.467 1.00 23.29 ? 371 CYS A CA 1 ATOM 238 C C . CYS A 1 30 ? 33.734 -2.995 26.725 1.00 23.02 ? 371 CYS A C 1 ATOM 239 O O . CYS A 1 30 ? 34.472 -3.648 27.455 1.00 23.66 ? 371 CYS A O 1 ATOM 240 C CB . CYS A 1 30 ? 34.332 -3.429 24.425 1.00 22.78 ? 371 CYS A CB 1 ATOM 241 S SG . CYS A 1 30 ? 34.957 -2.808 22.892 1.00 21.68 ? 371 CYS A SG 1 ATOM 242 N N . ALA A 1 31 ? 32.434 -2.856 26.937 1.00 21.71 ? 372 ALA A N 1 ATOM 243 C CA . ALA A 1 31 ? 31.755 -3.573 27.986 1.00 20.96 ? 372 ALA A CA 1 ATOM 244 C C . ALA A 1 31 ? 30.724 -4.388 27.222 1.00 20.44 ? 372 ALA A C 1 ATOM 245 O O . ALA A 1 31 ? 30.327 -4.019 26.129 1.00 19.70 ? 372 ALA A O 1 ATOM 246 C CB . ALA A 1 31 ? 31.083 -2.611 28.949 1.00 20.59 ? 372 ALA A CB 1 ATOM 247 N N . THR A 1 32 ? 30.290 -5.505 27.770 1.00 20.44 ? 373 THR A N 1 ATOM 248 C CA . THR A 1 32 ? 29.294 -6.274 27.055 1.00 20.43 ? 373 THR A CA 1 ATOM 249 C C . THR A 1 32 ? 28.202 -6.707 27.987 1.00 20.03 ? 373 THR A C 1 ATOM 250 O O . THR A 1 32 ? 28.448 -6.984 29.160 1.00 20.32 ? 373 THR A O 1 ATOM 251 C CB . THR A 1 32 ? 29.934 -7.483 26.367 1.00 20.48 ? 373 THR A CB 1 ATOM 252 O OG1 . THR A 1 32 ? 30.998 -7.026 25.521 1.00 21.22 ? 373 THR A OG1 1 ATOM 253 C CG2 . THR A 1 32 ? 28.953 -8.088 25.366 1.00 20.53 ? 373 THR A CG2 1 ATOM 254 N N . ALA A 1 33 ? 26.982 -6.743 27.473 1.00 19.44 ? 374 ALA A N 1 ATOM 255 C CA . ALA A 1 33 ? 25.874 -7.249 28.270 1.00 19.08 ? 374 ALA A CA 1 ATOM 256 C C . ALA A 1 33 ? 24.946 -8.023 27.362 1.00 19.11 ? 374 ALA A C 1 ATOM 257 O O . ALA A 1 33 ? 25.080 -7.959 26.122 1.00 18.87 ? 374 ALA A O 1 ATOM 258 C CB . ALA A 1 33 ? 25.144 -6.123 28.947 1.00 18.70 ? 374 ALA A CB 1 ATOM 259 N N . SER A 1 34 ? 23.992 -8.725 27.973 1.00 18.40 ? 375 SER A N 1 ATOM 260 C CA . SER A 1 34 ? 23.059 -9.545 27.229 1.00 18.48 ? 375 SER A CA 1 ATOM 261 C C . SER A 1 34 ? 21.916 -8.794 26.571 1.00 18.17 ? 375 SER A C 1 ATOM 262 O O . SER A 1 34 ? 21.397 -9.223 25.547 1.00 18.25 ? 375 SER A O 1 ATOM 263 C CB . SER A 1 34 ? 22.473 -10.625 28.129 1.00 18.92 ? 375 SER A CB 1 ATOM 264 O OG . SER A 1 34 ? 23.406 -11.673 28.303 1.00 20.79 ? 375 SER A OG 1 ATOM 265 N N . THR A 1 35 ? 21.454 -7.711 27.167 1.00 17.81 ? 376 THR A N 1 ATOM 266 C CA . THR A 1 35 ? 20.370 -7.006 26.517 1.00 18.03 ? 376 THR A CA 1 ATOM 267 C C . THR A 1 35 ? 20.650 -5.550 26.579 1.00 17.60 ? 376 THR A C 1 ATOM 268 O O . THR A 1 35 ? 21.513 -5.107 27.339 1.00 18.06 ? 376 THR A O 1 ATOM 269 C CB . THR A 1 35 ? 19.001 -7.297 27.158 1.00 18.12 ? 376 THR A CB 1 ATOM 270 O OG1 . THR A 1 35 ? 18.896 -6.580 28.390 1.00 20.40 ? 376 THR A OG1 1 ATOM 271 C CG2 . THR A 1 35 ? 18.868 -8.784 27.569 1.00 18.74 ? 376 THR A CG2 1 ATOM 272 N N . THR A 1 36 ? 19.916 -4.817 25.761 1.00 17.06 ? 377 THR A N 1 ATOM 273 C CA . THR A 1 36 ? 20.012 -3.387 25.690 1.00 16.48 ? 377 THR A CA 1 ATOM 274 C C . THR A 1 36 ? 19.668 -2.841 27.053 1.00 17.42 ? 377 THR A C 1 ATOM 275 O O . THR A 1 36 ? 20.330 -1.926 27.526 1.00 17.53 ? 377 THR A O 1 ATOM 276 C CB . THR A 1 36 ? 19.041 -2.886 24.616 1.00 16.29 ? 377 THR A CB 1 ATOM 277 O OG1 . THR A 1 36 ? 19.404 -3.491 23.366 1.00 14.45 ? 377 THR A OG1 1 ATOM 278 C CG2 . THR A 1 36 ? 19.218 -1.393 24.364 1.00 14.57 ? 377 THR A CG2 1 ATOM 279 N N . ASP A 1 37 ? 18.660 -3.434 27.704 1.00 18.35 ? 378 ASP A N 1 ATOM 280 C CA . ASP A 1 37 ? 18.232 -2.975 29.024 1.00 18.73 ? 378 ASP A CA 1 ATOM 281 C C . ASP A 1 37 ? 19.374 -3.061 30.024 1.00 18.78 ? 378 ASP A C 1 ATOM 282 O O . ASP A 1 37 ? 19.565 -2.129 30.816 1.00 19.25 ? 378 ASP A O 1 ATOM 283 C CB . ASP A 1 37 ? 17.033 -3.763 29.553 1.00 19.49 ? 378 ASP A CB 1 ATOM 284 C CG . ASP A 1 37 ? 15.708 -3.257 29.031 1.00 21.73 ? 378 ASP A CG 1 ATOM 285 O OD1 . ASP A 1 37 ? 15.684 -2.175 28.432 1.00 26.61 ? 378 ASP A OD1 1 ATOM 286 O OD2 . ASP A 1 37 ? 14.629 -3.864 29.190 1.00 27.42 ? 378 ASP A OD2 1 ATOM 287 N N . ASP A 1 38 ? 20.152 -4.133 29.977 1.00 17.80 ? 379 ASP A N 1 ATOM 288 C CA . ASP A 1 38 ? 21.290 -4.252 30.876 1.00 18.23 ? 379 ASP A CA 1 ATOM 289 C C . ASP A 1 38 ? 22.376 -3.246 30.573 1.00 17.97 ? 379 ASP A C 1 ATOM 290 O O . ASP A 1 38 ? 23.017 -2.733 31.485 1.00 17.95 ? 379 ASP A O 1 ATOM 291 C CB . ASP A 1 38 ? 21.896 -5.641 30.773 1.00 18.57 ? 379 ASP A CB 1 ATOM 292 C CG . ASP A 1 38 ? 21.113 -6.668 31.535 1.00 20.15 ? 379 ASP A CG 1 ATOM 293 O OD1 . ASP A 1 38 ? 20.220 -6.287 32.332 1.00 20.36 ? 379 ASP A OD1 1 ATOM 294 O OD2 . ASP A 1 38 ? 21.332 -7.882 31.393 1.00 22.21 ? 379 ASP A OD2 1 ATOM 295 N N . CYS A 1 39 ? 22.617 -3.015 29.286 1.00 17.44 ? 380 CYS A N 1 ATOM 296 C CA . CYS A 1 39 ? 23.634 -2.061 28.872 1.00 17.72 ? 380 CYS A CA 1 ATOM 297 C C . CYS A 1 39 ? 23.301 -0.677 29.422 1.00 17.71 ? 380 CYS A C 1 ATOM 298 O O . CYS A 1 39 ? 24.184 0.039 29.885 1.00 18.20 ? 380 CYS A O 1 ATOM 299 C CB . CYS A 1 39 ? 23.775 -2.008 27.345 1.00 17.97 ? 380 CYS A CB 1 ATOM 300 S SG . CYS A 1 39 ? 25.183 -2.933 26.691 1.00 17.87 ? 380 CYS A SG 1 ATOM 301 N N . ILE A 1 40 ? 22.017 -0.334 29.386 1.00 17.67 ? 381 ILE A N 1 ATOM 302 C CA . ILE A 1 40 ? 21.548 0.947 29.906 1.00 17.83 ? 381 ILE A CA 1 ATOM 303 C C . ILE A 1 40 ? 21.913 1.054 31.394 1.00 17.92 ? 381 ILE A C 1 ATOM 304 O O . ILE A 1 40 ? 22.426 2.091 31.833 1.00 18.82 ? 381 ILE A O 1 ATOM 305 C CB . ILE A 1 40 ? 20.032 1.112 29.649 1.00 18.27 ? 381 ILE A CB 1 ATOM 306 C CG1 . ILE A 1 40 ? 19.755 1.263 28.141 1.00 16.36 ? 381 ILE A CG1 1 ATOM 307 C CG2 . ILE A 1 40 ? 19.492 2.344 30.385 1.00 17.81 ? 381 ILE A CG2 1 ATOM 308 C CD1 . ILE A 1 40 ? 18.275 1.381 27.813 1.00 16.18 ? 381 ILE A CD1 1 ATOM 309 N N . VAL A 1 41 ? 21.675 -0.023 32.146 1.00 17.20 ? 382 VAL A N 1 ATOM 310 C CA . VAL A 1 41 ? 22.048 -0.112 33.553 1.00 16.54 ? 382 VAL A CA 1 ATOM 311 C C . VAL A 1 41 ? 23.560 0.048 33.772 1.00 16.46 ? 382 VAL A C 1 ATOM 312 O O . VAL A 1 41 ? 23.987 0.724 34.713 1.00 16.35 ? 382 VAL A O 1 ATOM 313 C CB . VAL A 1 41 ? 21.535 -1.449 34.221 1.00 17.04 ? 382 VAL A CB 1 ATOM 314 C CG1 . VAL A 1 41 ? 22.153 -1.648 35.585 1.00 15.26 ? 382 VAL A CG1 1 ATOM 315 C CG2 . VAL A 1 41 ? 20.010 -1.436 34.362 1.00 15.87 ? 382 VAL A CG2 1 ATOM 316 N N . LEU A 1 42 ? 24.383 -0.553 32.915 1.00 16.06 ? 383 LEU A N 1 ATOM 317 C CA . LEU A 1 42 ? 25.835 -0.357 33.069 1.00 15.76 ? 383 LEU A CA 1 ATOM 318 C C . LEU A 1 42 ? 26.206 1.130 32.971 1.00 15.52 ? 383 LEU A C 1 ATOM 319 O O . LEU A 1 42 ? 27.114 1.609 33.661 1.00 14.76 ? 383 LEU A O 1 ATOM 320 C CB . LEU A 1 42 ? 26.649 -1.180 32.049 1.00 15.32 ? 383 LEU A CB 1 ATOM 321 C CG . LEU A 1 42 ? 26.778 -2.692 32.287 1.00 15.57 ? 383 LEU A CG 1 ATOM 322 C CD1 . LEU A 1 42 ? 27.332 -3.459 31.073 1.00 14.95 ? 383 LEU A CD1 1 ATOM 323 C CD2 . LEU A 1 42 ? 27.580 -3.023 33.550 1.00 14.81 ? 383 LEU A CD2 1 ATOM 324 N N . VAL A 1 43 ? 25.487 1.855 32.116 1.00 15.70 ? 384 VAL A N 1 ATOM 325 C CA . VAL A 1 43 ? 25.771 3.260 31.880 1.00 15.73 ? 384 VAL A CA 1 ATOM 326 C C . VAL A 1 43 ? 25.344 4.110 33.062 1.00 16.28 ? 384 VAL A C 1 ATOM 327 O O . VAL A 1 43 ? 26.013 5.077 33.419 1.00 15.96 ? 384 VAL A O 1 ATOM 328 C CB . VAL A 1 43 ? 25.029 3.803 30.642 1.00 16.02 ? 384 VAL A CB 1 ATOM 329 C CG1 . VAL A 1 43 ? 25.173 5.343 30.548 1.00 14.40 ? 384 VAL A CG1 1 ATOM 330 C CG2 . VAL A 1 43 ? 25.519 3.119 29.381 1.00 13.79 ? 384 VAL A CG2 1 ATOM 331 N N . LEU A 1 44 ? 24.194 3.761 33.627 1.00 16.75 ? 385 LEU A N 1 ATOM 332 C CA . LEU A 1 44 ? 23.697 4.430 34.808 1.00 17.11 ? 385 LEU A CA 1 ATOM 333 C C . LEU A 1 44 ? 24.690 4.216 35.936 1.00 17.46 ? 385 LEU A C 1 ATOM 334 O O . LEU A 1 44 ? 24.971 5.129 36.698 1.00 17.81 ? 385 LEU A O 1 ATOM 335 C CB . LEU A 1 44 ? 22.344 3.867 35.213 1.00 17.07 ? 385 LEU A CB 1 ATOM 336 C CG . LEU A 1 44 ? 21.150 4.325 34.372 1.00 19.91 ? 385 LEU A CG 1 ATOM 337 C CD1 . LEU A 1 44 ? 19.814 3.838 34.979 1.00 21.40 ? 385 LEU A CD1 1 ATOM 338 C CD2 . LEU A 1 44 ? 21.139 5.852 34.199 1.00 20.71 ? 385 LEU A CD2 1 ATOM 339 N N . LYS A 1 45 ? 25.212 2.999 36.053 1.00 17.34 ? 386 LYS A N 1 ATOM 340 C CA . LYS A 1 45 ? 26.181 2.711 37.086 1.00 17.49 ? 386 LYS A CA 1 ATOM 341 C C . LYS A 1 45 ? 27.498 3.433 36.824 1.00 18.08 ? 386 LYS A C 1 ATOM 342 O O . LYS A 1 45 ? 28.293 3.623 37.748 1.00 18.06 ? 386 LYS A O 1 ATOM 343 C CB . LYS A 1 45 ? 26.430 1.207 37.205 1.00 16.89 ? 386 LYS A CB 1 ATOM 344 C CG . LYS A 1 45 ? 25.281 0.433 37.810 1.00 18.38 ? 386 LYS A CG 1 ATOM 345 C CD . LYS A 1 45 ? 25.715 -0.938 38.321 1.00 21.53 ? 386 LYS A CD 1 ATOM 346 C CE . LYS A 1 45 ? 25.917 -1.955 37.182 1.00 23.97 ? 386 LYS A CE 1 ATOM 347 N NZ . LYS A 1 45 ? 26.527 -3.260 37.651 1.00 24.10 ? 386 LYS A NZ 1 ATOM 348 N N . GLY A 1 46 ? 27.742 3.801 35.563 1.00 17.91 ? 387 GLY A N 1 ATOM 349 C CA . GLY A 1 46 ? 28.969 4.478 35.197 1.00 17.77 ? 387 GLY A CA 1 ATOM 350 C C . GLY A 1 46 ? 30.062 3.510 34.812 1.00 18.53 ? 387 GLY A C 1 ATOM 351 O O . GLY A 1 46 ? 31.222 3.898 34.697 1.00 18.77 ? 387 GLY A O 1 ATOM 352 N N . GLU A 1 47 ? 29.689 2.244 34.628 1.00 18.87 ? 388 GLU A N 1 ATOM 353 C CA . GLU A 1 47 ? 30.625 1.188 34.253 1.00 19.11 ? 388 GLU A CA 1 ATOM 354 C C . GLU A 1 47 ? 30.760 1.179 32.720 1.00 19.01 ? 388 GLU A C 1 ATOM 355 O O . GLU A 1 47 ? 31.743 0.671 32.176 1.00 18.69 ? 388 GLU A O 1 ATOM 356 C CB . GLU A 1 47 ? 30.155 -0.175 34.812 1.00 19.91 ? 388 GLU A CB 1 ATOM 357 C CG . GLU A 1 47 ? 30.493 -0.404 36.290 1.00 21.60 ? 388 GLU A CG 1 ATOM 358 C CD . GLU A 1 47 ? 29.706 -1.546 36.932 1.00 24.72 ? 388 GLU A CD 1 ATOM 359 O OE1 . GLU A 1 47 ? 29.204 -1.367 38.068 1.00 25.59 ? 388 GLU A OE1 1 ATOM 360 O OE2 . GLU A 1 47 ? 29.573 -2.623 36.309 1.00 26.81 ? 388 GLU A OE2 1 ATOM 361 N N . ALA A 1 48 ? 29.762 1.756 32.039 1.00 17.77 ? 389 ALA A N 1 ATOM 362 C CA . ALA A 1 48 ? 29.810 1.974 30.590 1.00 17.10 ? 389 ALA A CA 1 ATOM 363 C C . ALA A 1 48 ? 29.460 3.457 30.270 1.00 16.64 ? 389 ALA A C 1 ATOM 364 O O . ALA A 1 48 ? 28.717 4.084 31.026 1.00 15.59 ? 389 ALA A O 1 ATOM 365 C CB . ALA A 1 48 ? 28.881 0.971 29.857 1.00 16.81 ? 389 ALA A CB 1 ATOM 366 N N . ASP A 1 49 ? 30.014 4.014 29.189 1.00 16.77 ? 390 ASP A N 1 ATOM 367 C CA . ASP A 1 49 ? 29.719 5.416 28.838 1.00 17.34 ? 390 ASP A CA 1 ATOM 368 C C . ASP A 1 49 ? 28.562 5.603 27.876 1.00 17.45 ? 390 ASP A C 1 ATOM 369 O O . ASP A 1 49 ? 27.805 6.570 27.989 1.00 18.22 ? 390 ASP A O 1 ATOM 370 C CB . ASP A 1 49 ? 30.897 6.119 28.151 1.00 17.24 ? 390 ASP A CB 1 ATOM 371 C CG . ASP A 1 49 ? 32.088 6.276 29.033 1.00 17.78 ? 390 ASP A CG 1 ATOM 372 O OD1 . ASP A 1 49 ? 31.951 6.857 30.131 1.00 19.11 ? 390 ASP A OD1 1 ATOM 373 O OD2 . ASP A 1 49 ? 33.215 5.859 28.699 1.00 17.11 ? 390 ASP A OD2 1 ATOM 374 N N . ALA A 1 50 ? 28.448 4.723 26.891 1.00 16.65 ? 391 ALA A N 1 ATOM 375 C CA . ALA A 1 50 ? 27.507 5.003 25.820 1.00 16.16 ? 391 ALA A CA 1 ATOM 376 C C . ALA A 1 50 ? 27.184 3.804 24.956 1.00 15.48 ? 391 ALA A C 1 ATOM 377 O O . ALA A 1 50 ? 27.869 2.803 25.011 1.00 15.29 ? 391 ALA A O 1 ATOM 378 C CB . ALA A 1 50 ? 28.083 6.112 24.925 1.00 15.79 ? 391 ALA A CB 1 ATOM 379 N N . LEU A 1 51 ? 26.120 3.959 24.176 1.00 14.81 ? 392 LEU A N 1 ATOM 380 C CA . LEU A 1 51 ? 25.692 3.027 23.143 1.00 15.08 ? 392 LEU A CA 1 ATOM 381 C C . LEU A 1 51 ? 24.669 3.731 22.230 1.00 15.02 ? 392 LEU A C 1 ATOM 382 O O . LEU A 1 51 ? 24.067 4.767 22.587 1.00 14.62 ? 392 LEU A O 1 ATOM 383 C CB . LEU A 1 51 ? 25.114 1.727 23.716 1.00 15.06 ? 392 LEU A CB 1 ATOM 384 C CG . LEU A 1 51 ? 23.721 1.625 24.348 1.00 15.59 ? 392 LEU A CG 1 ATOM 385 C CD1 . LEU A 1 51 ? 23.315 0.162 24.437 1.00 16.72 ? 392 LEU A CD1 1 ATOM 386 C CD2 . LEU A 1 51 ? 23.602 2.265 25.740 1.00 12.88 ? 392 LEU A CD2 1 ATOM 387 N N . ASN A 1 52 ? 24.504 3.174 21.037 1.00 14.59 ? 393 ASN A N 1 ATOM 388 C CA . ASN A 1 52 ? 23.577 3.696 20.060 1.00 14.20 ? 393 ASN A CA 1 ATOM 389 C C . ASN A 1 52 ? 22.251 2.942 20.246 1.00 14.32 ? 393 ASN A C 1 ATOM 390 O O . ASN A 1 52 ? 22.252 1.733 20.333 1.00 14.10 ? 393 ASN A O 1 ATOM 391 C CB . ASN A 1 52 ? 24.184 3.450 18.689 1.00 14.84 ? 393 ASN A CB 1 ATOM 392 C CG . ASN A 1 52 ? 23.316 3.940 17.575 1.00 13.91 ? 393 ASN A CG 1 ATOM 393 O OD1 . ASN A 1 52 ? 22.758 5.002 17.667 1.00 16.97 ? 393 ASN A OD1 1 ATOM 394 N ND2 . ASN A 1 52 ? 23.196 3.162 16.522 1.00 12.33 ? 393 ASN A ND2 1 ATOM 395 N N . LEU A 1 53 ? 21.127 3.647 20.345 1.00 14.53 ? 394 LEU A N 1 ATOM 396 C CA . LEU A 1 53 ? 19.859 2.983 20.664 1.00 14.80 ? 394 LEU A CA 1 ATOM 397 C C . LEU A 1 53 ? 18.727 3.353 19.740 1.00 13.95 ? 394 LEU A C 1 ATOM 398 O O . LEU A 1 53 ? 18.691 4.454 19.227 1.00 14.52 ? 394 LEU A O 1 ATOM 399 C CB . LEU A 1 53 ? 19.371 3.353 22.088 1.00 14.84 ? 394 LEU A CB 1 ATOM 400 C CG . LEU A 1 53 ? 20.114 3.116 23.396 1.00 15.79 ? 394 LEU A CG 1 ATOM 401 C CD1 . LEU A 1 53 ? 19.376 3.822 24.552 1.00 16.97 ? 394 LEU A CD1 1 ATOM 402 C CD2 . LEU A 1 53 ? 20.263 1.654 23.707 1.00 14.85 ? 394 LEU A CD2 1 ATOM 403 N N . ASP A 1 54 ? 17.776 2.436 19.584 1.00 13.51 ? 395 ASP A N 1 ATOM 404 C CA . ASP A 1 54 ? 16.547 2.689 18.847 1.00 13.15 ? 395 ASP A CA 1 ATOM 405 C C . ASP A 1 54 ? 15.740 3.645 19.723 1.00 13.49 ? 395 ASP A C 1 ATOM 406 O O . ASP A 1 54 ? 15.972 3.722 20.928 1.00 14.46 ? 395 ASP A O 1 ATOM 407 C CB . ASP A 1 54 ? 15.826 1.368 18.612 1.00 12.40 ? 395 ASP A CB 1 ATOM 408 C CG . ASP A 1 54 ? 14.404 1.542 18.146 1.00 13.38 ? 395 ASP A CG 1 ATOM 409 O OD1 . ASP A 1 54 ? 14.156 1.782 16.933 1.00 11.70 ? 395 ASP A OD1 1 ATOM 410 O OD2 . ASP A 1 54 ? 13.451 1.449 18.937 1.00 13.73 ? 395 ASP A OD2 1 ATOM 411 N N . GLY A 1 55 ? 14.810 4.389 19.139 1.00 13.68 ? 396 GLY A N 1 ATOM 412 C CA . GLY A 1 55 ? 14.015 5.344 19.898 1.00 13.49 ? 396 GLY A CA 1 ATOM 413 C C . GLY A 1 55 ? 13.141 4.788 21.005 1.00 14.19 ? 396 GLY A C 1 ATOM 414 O O . GLY A 1 55 ? 12.761 5.510 21.911 1.00 14.89 ? 396 GLY A O 1 ATOM 415 N N . GLY A 1 56 ? 12.783 3.517 20.939 1.00 14.71 ? 397 GLY A N 1 ATOM 416 C CA . GLY A 1 56 ? 11.978 2.945 21.992 1.00 15.87 ? 397 GLY A CA 1 ATOM 417 C C . GLY A 1 56 ? 12.815 2.808 23.257 1.00 16.72 ? 397 GLY A C 1 ATOM 418 O O . GLY A 1 56 ? 12.338 2.987 24.386 1.00 16.44 ? 397 GLY A O 1 ATOM 419 N N . TYR A 1 57 ? 14.094 2.525 23.071 1.00 17.80 ? 398 TYR A N 1 ATOM 420 C CA . TYR A 1 57 ? 14.984 2.377 24.222 1.00 18.88 ? 398 TYR A CA 1 ATOM 421 C C . TYR A 1 57 ? 15.421 3.758 24.673 1.00 19.27 ? 398 TYR A C 1 ATOM 422 O O . TYR A 1 57 ? 15.680 3.972 25.857 1.00 19.92 ? 398 TYR A O 1 ATOM 423 C CB . TYR A 1 57 ? 16.207 1.541 23.864 1.00 19.13 ? 398 TYR A CB 1 ATOM 424 C CG . TYR A 1 57 ? 15.974 0.093 23.435 1.00 20.04 ? 398 TYR A CG 1 ATOM 425 C CD1 . TYR A 1 57 ? 15.155 -0.756 24.162 1.00 21.05 ? 398 TYR A CD1 1 ATOM 426 C CD2 . TYR A 1 57 ? 16.631 -0.426 22.322 1.00 20.64 ? 398 TYR A CD2 1 ATOM 427 C CE1 . TYR A 1 57 ? 14.990 -2.093 23.795 1.00 22.38 ? 398 TYR A CE1 1 ATOM 428 C CE2 . TYR A 1 57 ? 16.471 -1.742 21.941 1.00 22.64 ? 398 TYR A CE2 1 ATOM 429 C CZ . TYR A 1 57 ? 15.654 -2.587 22.680 1.00 24.69 ? 398 TYR A CZ 1 ATOM 430 O OH . TYR A 1 57 ? 15.504 -3.927 22.282 1.00 25.28 ? 398 TYR A OH 1 ATOM 431 N N . ILE A 1 58 ? 15.515 4.705 23.735 1.00 19.65 ? 399 ILE A N 1 ATOM 432 C CA . ILE A 1 58 ? 15.848 6.071 24.121 1.00 19.29 ? 399 ILE A CA 1 ATOM 433 C C . ILE A 1 58 ? 14.798 6.535 25.120 1.00 19.91 ? 399 ILE A C 1 ATOM 434 O O . ILE A 1 58 ? 15.053 7.330 25.999 1.00 20.52 ? 399 ILE A O 1 ATOM 435 C CB . ILE A 1 58 ? 15.846 7.021 22.897 1.00 19.42 ? 399 ILE A CB 1 ATOM 436 C CG1 . ILE A 1 58 ? 17.106 6.821 22.055 1.00 17.98 ? 399 ILE A CG1 1 ATOM 437 C CG2 . ILE A 1 58 ? 15.747 8.530 23.343 1.00 16.78 ? 399 ILE A CG2 1 ATOM 438 C CD1 . ILE A 1 58 ? 17.086 7.633 20.767 1.00 16.26 ? 399 ILE A CD1 1 ATOM 439 N N . TYR A 1 59 ? 13.588 6.053 24.965 1.00 20.72 ? 400 TYR A N 1 ATOM 440 C CA . TYR A 1 59 ? 12.521 6.475 25.847 1.00 21.69 ? 400 TYR A CA 1 ATOM 441 C C . TYR A 1 59 ? 12.716 5.896 27.242 1.00 22.03 ? 400 TYR A C 1 ATOM 442 O O . TYR A 1 59 ? 12.526 6.596 28.237 1.00 21.84 ? 400 TYR A O 1 ATOM 443 C CB . TYR A 1 59 ? 11.193 6.019 25.265 1.00 22.37 ? 400 TYR A CB 1 ATOM 444 C CG . TYR A 1 59 ? 10.040 6.278 26.166 1.00 23.35 ? 400 TYR A CG 1 ATOM 445 C CD1 . TYR A 1 59 ? 9.343 7.456 26.087 1.00 24.25 ? 400 TYR A CD1 1 ATOM 446 C CD2 . TYR A 1 59 ? 9.638 5.333 27.093 1.00 25.94 ? 400 TYR A CD2 1 ATOM 447 C CE1 . TYR A 1 59 ? 8.277 7.704 26.916 1.00 26.77 ? 400 TYR A CE1 1 ATOM 448 C CE2 . TYR A 1 59 ? 8.567 5.570 27.931 1.00 27.76 ? 400 TYR A CE2 1 ATOM 449 C CZ . TYR A 1 59 ? 7.888 6.760 27.828 1.00 27.65 ? 400 TYR A CZ 1 ATOM 450 O OH . TYR A 1 59 ? 6.820 7.021 28.648 1.00 30.57 ? 400 TYR A OH 1 ATOM 451 N N . THR A 1 60 ? 13.097 4.617 27.296 1.00 22.05 ? 401 THR A N 1 ATOM 452 C CA . THR A 1 60 ? 13.399 3.929 28.542 1.00 22.38 ? 401 THR A CA 1 ATOM 453 C C . THR A 1 60 ? 14.533 4.653 29.251 1.00 22.62 ? 401 THR A C 1 ATOM 454 O O . THR A 1 60 ? 14.419 5.043 30.415 1.00 22.75 ? 401 THR A O 1 ATOM 455 C CB . THR A 1 60 ? 13.854 2.480 28.261 1.00 22.29 ? 401 THR A CB 1 ATOM 456 O OG1 . THR A 1 60 ? 12.736 1.693 27.821 1.00 23.95 ? 401 THR A OG1 1 ATOM 457 C CG2 . THR A 1 60 ? 14.272 1.783 29.554 1.00 22.73 ? 401 THR A CG2 1 ATOM 458 N N . ALA A 1 61 ? 15.622 4.832 28.514 1.00 22.33 ? 402 ALA A N 1 ATOM 459 C CA . ALA A 1 61 ? 16.821 5.445 29.026 1.00 21.53 ? 402 ALA A CA 1 ATOM 460 C C . ALA A 1 61 ? 16.553 6.841 29.496 1.00 21.95 ? 402 ALA A C 1 ATOM 461 O O . ALA A 1 61 ? 17.177 7.299 30.450 1.00 21.61 ? 402 ALA A O 1 ATOM 462 C CB . ALA A 1 61 ? 17.890 5.467 27.950 1.00 20.81 ? 402 ALA A CB 1 ATOM 463 N N . GLY A 1 62 ? 15.646 7.543 28.813 1.00 21.77 ? 403 GLY A N 1 ATOM 464 C CA . GLY A 1 62 ? 15.355 8.926 29.139 1.00 22.47 ? 403 GLY A CA 1 ATOM 465 C C . GLY A 1 62 ? 14.769 9.099 30.519 1.00 23.17 ? 403 GLY A C 1 ATOM 466 O O . GLY A 1 62 ? 15.182 9.974 31.269 1.00 23.61 ? 403 GLY A O 1 ATOM 467 N N . LYS A 1 63 ? 13.814 8.246 30.865 1.00 23.82 ? 404 LYS A N 1 ATOM 468 C CA . LYS A 1 63 ? 13.195 8.321 32.175 1.00 24.74 ? 404 LYS A CA 1 ATOM 469 C C . LYS A 1 63 ? 14.263 8.120 33.247 1.00 24.64 ? 404 LYS A C 1 ATOM 470 O O . LYS A 1 63 ? 14.151 8.636 34.359 1.00 25.21 ? 404 LYS A O 1 ATOM 471 C CB . LYS A 1 63 ? 12.072 7.285 32.298 1.00 24.97 ? 404 LYS A CB 1 ATOM 472 C CG . LYS A 1 63 ? 10.939 7.476 31.282 1.00 26.25 ? 404 LYS A CG 1 ATOM 473 C CD . LYS A 1 63 ? 9.594 7.752 31.949 1.00 31.14 ? 404 LYS A CD 1 ATOM 474 C CE . LYS A 1 63 ? 8.574 8.273 30.939 1.00 34.68 ? 404 LYS A CE 1 ATOM 475 N NZ . LYS A 1 63 ? 8.012 9.643 31.307 1.00 37.23 ? 404 LYS A NZ 1 ATOM 476 N N . CYS A 1 64 ? 15.313 7.394 32.888 1.00 24.62 ? 405 CYS A N 1 ATOM 477 C CA . CYS A 1 64 ? 16.413 7.109 33.803 1.00 24.77 ? 405 CYS A CA 1 ATOM 478 C C . CYS A 1 64 ? 17.470 8.211 33.778 1.00 23.10 ? 405 CYS A C 1 ATOM 479 O O . CYS A 1 64 ? 18.500 8.114 34.439 1.00 21.81 ? 405 CYS A O 1 ATOM 480 C CB . CYS A 1 64 ? 17.022 5.753 33.478 1.00 26.09 ? 405 CYS A CB 1 ATOM 481 S SG . CYS A 1 64 ? 15.894 4.390 33.845 1.00 34.09 ? 405 CYS A SG 1 ATOM 482 N N . GLY A 1 65 ? 17.218 9.261 32.998 1.00 21.35 ? 406 GLY A N 1 ATOM 483 C CA . GLY A 1 65 ? 18.121 10.387 33.002 1.00 20.16 ? 406 GLY A CA 1 ATOM 484 C C . GLY A 1 65 ? 19.242 10.363 31.979 1.00 19.83 ? 406 GLY A C 1 ATOM 485 O O . GLY A 1 65 ? 20.129 11.209 32.054 1.00 20.25 ? 406 GLY A O 1 ATOM 486 N N . LEU A 1 66 ? 19.225 9.425 31.032 1.00 18.58 ? 407 LEU A N 1 ATOM 487 C CA . LEU A 1 66 ? 20.247 9.418 29.979 1.00 18.27 ? 407 LEU A CA 1 ATOM 488 C C . LEU A 1 66 ? 19.880 10.397 28.864 1.00 18.34 ? 407 LEU A C 1 ATOM 489 O O . LEU A 1 66 ? 18.725 10.731 28.691 1.00 19.05 ? 407 LEU A O 1 ATOM 490 C CB . LEU A 1 66 ? 20.441 8.008 29.395 1.00 17.93 ? 407 LEU A CB 1 ATOM 491 C CG . LEU A 1 66 ? 20.886 6.851 30.299 1.00 17.69 ? 407 LEU A CG 1 ATOM 492 C CD1 . LEU A 1 66 ? 21.625 5.869 29.446 1.00 16.88 ? 407 LEU A CD1 1 ATOM 493 C CD2 . LEU A 1 66 ? 21.788 7.335 31.424 1.00 14.07 ? 407 LEU A CD2 1 ATOM 494 N N . VAL A 1 67 ? 20.856 10.849 28.099 1.00 17.85 ? 408 VAL A N 1 ATOM 495 C CA . VAL A 1 67 ? 20.574 11.837 27.077 1.00 17.95 ? 408 VAL A CA 1 ATOM 496 C C . VAL A 1 67 ? 21.173 11.546 25.697 1.00 18.02 ? 408 VAL A C 1 ATOM 497 O O . VAL A 1 67 ? 22.273 11.034 25.556 1.00 17.13 ? 408 VAL A O 1 ATOM 498 C CB . VAL A 1 67 ? 21.026 13.256 27.510 1.00 17.74 ? 408 VAL A CB 1 ATOM 499 C CG1 . VAL A 1 67 ? 20.246 13.732 28.759 1.00 18.45 ? 408 VAL A CG1 1 ATOM 500 C CG2 . VAL A 1 67 ? 22.489 13.270 27.747 1.00 16.04 ? 408 VAL A CG2 1 ATOM 501 N N . PRO A 1 68 ? 20.404 11.915 24.693 1.00 18.60 ? 409 PRO A N 1 ATOM 502 C CA . PRO A 1 68 ? 20.800 11.766 23.288 1.00 19.31 ? 409 PRO A CA 1 ATOM 503 C C . PRO A 1 68 ? 21.999 12.638 23.054 1.00 19.77 ? 409 PRO A C 1 ATOM 504 O O . PRO A 1 68 ? 22.023 13.729 23.578 1.00 19.76 ? 409 PRO A O 1 ATOM 505 C CB . PRO A 1 68 ? 19.625 12.350 22.511 1.00 19.58 ? 409 PRO A CB 1 ATOM 506 C CG . PRO A 1 68 ? 18.626 12.854 23.519 1.00 19.99 ? 409 PRO A CG 1 ATOM 507 C CD . PRO A 1 68 ? 19.082 12.529 24.888 1.00 18.37 ? 409 PRO A CD 1 ATOM 508 N N . VAL A 1 69 ? 22.965 12.189 22.263 1.00 20.90 ? 410 VAL A N 1 ATOM 509 C CA . VAL A 1 69 ? 24.191 12.945 22.075 1.00 21.68 ? 410 VAL A CA 1 ATOM 510 C C . VAL A 1 69 ? 24.515 13.221 20.606 1.00 22.28 ? 410 VAL A C 1 ATOM 511 O O . VAL A 1 69 ? 24.956 14.307 20.231 1.00 22.45 ? 410 VAL A O 1 ATOM 512 C CB . VAL A 1 69 ? 25.347 12.201 22.756 1.00 21.95 ? 410 VAL A CB 1 ATOM 513 C CG1 . VAL A 1 69 ? 26.690 12.833 22.437 1.00 22.10 ? 410 VAL A CG1 1 ATOM 514 C CG2 . VAL A 1 69 ? 25.128 12.208 24.240 1.00 22.44 ? 410 VAL A CG2 1 ATOM 515 N N . LEU A 1 70 ? 24.277 12.226 19.773 1.00 22.67 ? 411 LEU A N 1 ATOM 516 C CA . LEU A 1 70 ? 24.527 12.311 18.347 1.00 22.84 ? 411 LEU A CA 1 ATOM 517 C C . LEU A 1 70 ? 23.566 11.315 17.717 1.00 23.41 ? 411 LEU A C 1 ATOM 518 O O . LEU A 1 70 ? 23.326 10.236 18.276 1.00 23.06 ? 411 LEU A O 1 ATOM 519 C CB . LEU A 1 70 ? 25.970 11.887 18.024 1.00 22.61 ? 411 LEU A CB 1 ATOM 520 C CG . LEU A 1 70 ? 27.144 12.837 18.341 1.00 22.47 ? 411 LEU A CG 1 ATOM 521 C CD1 . LEU A 1 70 ? 28.474 12.102 18.175 1.00 21.77 ? 411 LEU A CD1 1 ATOM 522 C CD2 . LEU A 1 70 ? 27.118 14.083 17.465 1.00 17.47 ? 411 LEU A CD2 1 ATOM 523 N N . ALA A 1 71 ? 23.017 11.676 16.561 1.00 24.26 ? 412 ALA A N 1 ATOM 524 C CA . ALA A 1 71 ? 22.057 10.821 15.880 1.00 25.07 ? 412 ALA A CA 1 ATOM 525 C C . ALA A 1 71 ? 22.624 10.199 14.611 1.00 26.16 ? 412 ALA A C 1 ATOM 526 O O . ALA A 1 71 ? 23.536 10.747 13.985 1.00 26.53 ? 412 ALA A O 1 ATOM 527 C CB . ALA A 1 71 ? 20.793 11.584 15.573 1.00 24.92 ? 412 ALA A CB 1 ATOM 528 N N . GLU A 1 72 ? 22.086 9.038 14.256 1.00 27.29 ? 413 GLU A N 1 ATOM 529 C CA . GLU A 1 72 ? 22.440 8.363 13.014 1.00 28.78 ? 413 GLU A CA 1 ATOM 530 C C . GLU A 1 72 ? 21.888 9.164 11.836 1.00 30.37 ? 413 GLU A C 1 ATOM 531 O O . GLU A 1 72 ? 20.746 9.622 11.853 1.00 29.75 ? 413 GLU A O 1 ATOM 532 C CB . GLU A 1 72 ? 21.808 6.963 12.963 1.00 28.15 ? 413 GLU A CB 1 ATOM 533 C CG . GLU A 1 72 ? 22.626 5.813 13.519 1.00 26.64 ? 413 GLU A CG 1 ATOM 534 C CD . GLU A 1 72 ? 21.951 4.468 13.274 1.00 26.19 ? 413 GLU A CD 1 ATOM 535 O OE1 . GLU A 1 72 ? 20.851 4.474 12.676 1.00 26.91 ? 413 GLU A OE1 1 ATOM 536 O OE2 . GLU A 1 72 ? 22.500 3.407 13.672 1.00 22.81 ? 413 GLU A OE2 1 ATOM 537 N N . ASN A 1 73 ? 22.682 9.309 10.795 1.00 33.23 ? 414 ASN A N 1 ATOM 538 C CA . ASN A 1 73 ? 22.206 10.036 9.627 1.00 36.38 ? 414 ASN A CA 1 ATOM 539 C C . ASN A 1 73 ? 22.529 9.249 8.375 1.00 38.43 ? 414 ASN A C 1 ATOM 540 O O . ASN A 1 73 ? 23.690 8.941 8.125 1.00 38.60 ? 414 ASN A O 1 ATOM 541 C CB . ASN A 1 73 ? 22.857 11.407 9.571 1.00 36.09 ? 414 ASN A CB 1 ATOM 542 C CG . ASN A 1 73 ? 21.866 12.509 9.317 1.00 36.80 ? 414 ASN A CG 1 ATOM 543 O OD1 . ASN A 1 73 ? 22.231 13.678 9.299 1.00 39.11 ? 414 ASN A OD1 1 ATOM 544 N ND2 . ASN A 1 73 ? 20.600 12.152 9.138 1.00 36.96 ? 414 ASN A ND2 1 ATOM 545 N N . ARG A 1 74 ? 21.501 8.906 7.607 1.00 41.61 ? 415 ARG A N 1 ATOM 546 C CA . ARG A 1 74 ? 21.669 8.102 6.388 1.00 44.97 ? 415 ARG A CA 1 ATOM 547 C C . ARG A 1 74 ? 21.597 8.973 5.135 1.00 47.03 ? 415 ARG A C 1 ATOM 548 O O . ARG A 1 74 ? 21.283 10.152 5.216 1.00 47.08 ? 415 ARG A O 1 ATOM 549 C CB . ARG A 1 74 ? 20.610 7.000 6.315 1.00 44.86 ? 415 ARG A CB 1 ATOM 550 C CG . ARG A 1 74 ? 19.207 7.509 6.511 1.00 46.44 ? 415 ARG A CG 1 ATOM 551 C CD . ARG A 1 74 ? 18.236 6.362 6.344 1.00 50.50 ? 415 ARG A CD 1 ATOM 552 N NE . ARG A 1 74 ? 16.932 6.848 5.896 1.00 52.37 ? 415 ARG A NE 1 ATOM 553 C CZ . ARG A 1 74 ? 16.098 7.562 6.651 1.00 53.65 ? 415 ARG A CZ 1 ATOM 554 N NH1 . ARG A 1 74 ? 16.426 7.898 7.895 1.00 53.29 ? 415 ARG A NH1 1 ATOM 555 N NH2 . ARG A 1 74 ? 14.927 7.945 6.160 1.00 54.89 ? 415 ARG A NH2 1 ATOM 556 N N . LYS A 1 75 ? 21.903 8.384 3.981 1.00 49.91 ? 416 LYS A N 1 ATOM 557 C CA . LYS A 1 75 ? 21.923 9.125 2.713 1.00 52.72 ? 416 LYS A CA 1 ATOM 558 C C . LYS A 1 75 ? 20.685 10.014 2.465 1.00 54.47 ? 416 LYS A C 1 ATOM 559 O O . LYS A 1 75 ? 19.552 9.542 2.469 1.00 54.85 ? 416 LYS A O 1 ATOM 560 C CB . LYS A 1 75 ? 22.192 8.186 1.530 1.00 52.49 ? 416 LYS A CB 1 ATOM 561 C CG . LYS A 1 75 ? 23.677 7.967 1.268 1.00 53.92 ? 416 LYS A CG 1 ATOM 562 C CD . LYS A 1 75 ? 24.262 6.922 2.206 1.00 55.26 ? 416 LYS A CD 1 ATOM 563 C CE . LYS A 1 75 ? 23.941 5.517 1.700 1.00 56.97 ? 416 LYS A CE 1 ATOM 564 N NZ . LYS A 1 75 ? 24.357 4.390 2.605 1.00 57.45 ? 416 LYS A NZ 1 ATOM 565 N N . SER A 1 76 ? 20.902 11.304 2.252 1.00 56.77 ? 417 SER A N 1 ATOM 566 C CA . SER A 1 76 ? 19.776 12.196 2.018 1.00 59.26 ? 417 SER A CA 1 ATOM 567 C C . SER A 1 76 ? 19.608 12.553 0.547 1.00 60.94 ? 417 SER A C 1 ATOM 568 O O . SER A 1 76 ? 20.532 12.411 -0.253 1.00 61.52 ? 417 SER A O 1 ATOM 569 C CB . SER A 1 76 ? 19.924 13.473 2.840 1.00 59.13 ? 417 SER A CB 1 ATOM 570 O OG . SER A 1 76 ? 21.140 14.128 2.530 1.00 60.30 ? 417 SER A OG 1 ATOM 571 N N . SER A 1 77 ? 18.406 12.998 0.198 1.00 62.90 ? 418 SER A N 1 ATOM 572 C CA . SER A 1 77 ? 18.113 13.470 -1.147 1.00 64.76 ? 418 SER A CA 1 ATOM 573 C C . SER A 1 77 ? 17.860 14.966 -1.020 1.00 65.89 ? 418 SER A C 1 ATOM 574 O O . SER A 1 77 ? 18.601 15.777 -1.579 1.00 66.22 ? 418 SER A O 1 ATOM 575 C CB . SER A 1 77 ? 16.916 12.731 -1.752 1.00 64.64 ? 418 SER A CB 1 ATOM 576 O OG . SER A 1 77 ? 16.084 12.182 -0.746 1.00 65.64 ? 418 SER A OG 1 ATOM 577 N N . LYS A 1 78 ? 16.820 15.327 -0.270 1.00 67.28 ? 419 LYS A N 1 ATOM 578 C CA . LYS A 1 78 ? 16.588 16.728 0.081 1.00 68.48 ? 419 LYS A CA 1 ATOM 579 C C . LYS A 1 78 ? 17.572 17.058 1.217 1.00 69.01 ? 419 LYS A C 1 ATOM 580 O O . LYS A 1 78 ? 18.042 16.134 1.909 1.00 69.30 ? 419 LYS A O 1 ATOM 581 C CB . LYS A 1 78 ? 15.133 16.946 0.515 1.00 68.63 ? 419 LYS A CB 1 ATOM 582 C CG . LYS A 1 78 ? 14.682 18.408 0.585 1.00 69.30 ? 419 LYS A CG 1 ATOM 583 C CD . LYS A 1 78 ? 14.854 18.992 1.981 1.00 70.24 ? 419 LYS A CD 1 ATOM 584 C CE . LYS A 1 78 ? 14.680 20.510 1.973 1.00 71.08 ? 419 LYS A CE 1 ATOM 585 N NZ . LYS A 1 78 ? 14.951 21.114 3.310 1.00 70.42 ? 419 LYS A NZ 1 ATOM 586 N N . HIS A 1 79 ? 17.878 18.356 1.383 1.00 69.49 ? 420 HIS A N 1 ATOM 587 C CA . HIS A 1 79 ? 18.837 18.875 2.380 1.00 69.71 ? 420 HIS A CA 1 ATOM 588 C C . HIS A 1 79 ? 20.292 18.526 2.049 1.00 69.31 ? 420 HIS A C 1 ATOM 589 O O . HIS A 1 79 ? 21.108 18.292 2.946 1.00 69.49 ? 420 HIS A O 1 ATOM 590 C CB . HIS A 1 79 ? 18.483 18.426 3.805 1.00 69.99 ? 420 HIS A CB 1 ATOM 591 C CG . HIS A 1 79 ? 17.696 19.440 4.579 1.00 71.43 ? 420 HIS A CG 1 ATOM 592 N ND1 . HIS A 1 79 ? 16.680 19.096 5.445 1.00 72.52 ? 420 HIS A ND1 1 ATOM 593 C CD2 . HIS A 1 79 ? 17.779 20.791 4.615 1.00 72.75 ? 420 HIS A CD2 1 ATOM 594 C CE1 . HIS A 1 79 ? 16.170 20.192 5.979 1.00 73.29 ? 420 HIS A CE1 1 ATOM 595 N NE2 . HIS A 1 79 ? 16.818 21.235 5.491 1.00 73.30 ? 420 HIS A NE2 1 ATOM 596 N N . SER A 1 80 ? 20.613 18.555 0.759 1.00 68.61 ? 421 SER A N 1 ATOM 597 C CA . SER A 1 80 ? 21.895 18.063 0.236 1.00 67.90 ? 421 SER A CA 1 ATOM 598 C C . SER A 1 80 ? 23.168 18.905 0.410 1.00 66.93 ? 421 SER A C 1 ATOM 599 O O . SER A 1 80 ? 24.263 18.343 0.501 1.00 66.93 ? 421 SER A O 1 ATOM 600 C CB . SER A 1 80 ? 21.733 17.703 -1.247 1.00 68.12 ? 421 SER A CB 1 ATOM 601 O OG . SER A 1 80 ? 21.097 18.755 -1.962 1.00 68.86 ? 421 SER A OG 1 ATOM 602 N N . SER A 1 81 ? 23.044 20.229 0.441 1.00 65.60 ? 422 SER A N 1 ATOM 603 C CA . SER A 1 81 ? 24.230 21.083 0.520 1.00 64.24 ? 422 SER A CA 1 ATOM 604 C C . SER A 1 81 ? 25.030 20.959 1.815 1.00 62.99 ? 422 SER A C 1 ATOM 605 O O . SER A 1 81 ? 26.245 21.161 1.821 1.00 62.93 ? 422 SER A O 1 ATOM 606 C CB . SER A 1 81 ? 23.870 22.553 0.263 1.00 64.46 ? 422 SER A CB 1 ATOM 607 O OG . SER A 1 81 ? 22.915 23.032 1.193 1.00 65.27 ? 422 SER A OG 1 ATOM 608 N N . LEU A 1 82 ? 24.358 20.621 2.907 1.00 61.22 ? 423 LEU A N 1 ATOM 609 C CA . LEU A 1 82 ? 25.027 20.568 4.199 1.00 59.25 ? 423 LEU A CA 1 ATOM 610 C C . LEU A 1 82 ? 25.857 19.314 4.372 1.00 57.63 ? 423 LEU A C 1 ATOM 611 O O . LEU A 1 82 ? 25.522 18.255 3.828 1.00 57.44 ? 423 LEU A O 1 ATOM 612 C CB . LEU A 1 82 ? 23.998 20.671 5.315 1.00 59.54 ? 423 LEU A CB 1 ATOM 613 C CG . LEU A 1 82 ? 23.158 21.936 5.183 1.00 59.90 ? 423 LEU A CG 1 ATOM 614 C CD1 . LEU A 1 82 ? 21.812 21.768 5.867 1.00 60.76 ? 423 LEU A CD1 1 ATOM 615 C CD2 . LEU A 1 82 ? 23.918 23.136 5.732 1.00 60.27 ? 423 LEU A CD2 1 ATOM 616 N N . ASP A 1 83 ? 26.954 19.441 5.114 1.00 55.38 ? 424 ASP A N 1 ATOM 617 C CA . ASP A 1 83 ? 27.767 18.280 5.423 1.00 53.18 ? 424 ASP A CA 1 ATOM 618 C C . ASP A 1 83 ? 26.938 17.429 6.373 1.00 50.98 ? 424 ASP A C 1 ATOM 619 O O . ASP A 1 83 ? 26.188 17.955 7.192 1.00 50.72 ? 424 ASP A O 1 ATOM 620 C CB . ASP A 1 83 ? 29.105 18.663 6.044 1.00 53.42 ? 424 ASP A CB 1 ATOM 621 C CG . ASP A 1 83 ? 29.945 17.456 6.366 1.00 54.87 ? 424 ASP A CG 1 ATOM 622 O OD1 . ASP A 1 83 ? 30.664 16.963 5.460 1.00 55.62 ? 424 ASP A OD1 1 ATOM 623 O OD2 . ASP A 1 83 ? 29.921 16.910 7.493 1.00 56.38 ? 424 ASP A OD2 1 ATOM 624 N N . CYS A 1 84 ? 27.060 16.116 6.235 1.00 48.40 ? 425 CYS A N 1 ATOM 625 C CA . CYS A 1 84 ? 26.265 15.165 7.006 1.00 45.76 ? 425 CYS A CA 1 ATOM 626 C C . CYS A 1 84 ? 26.170 15.450 8.511 1.00 45.03 ? 425 CYS A C 1 ATOM 627 O O . CYS A 1 84 ? 25.088 15.403 9.077 1.00 44.63 ? 425 CYS A O 1 ATOM 628 C CB . CYS A 1 84 ? 26.783 13.751 6.746 1.00 44.91 ? 425 CYS A CB 1 ATOM 629 S SG . CYS A 1 84 ? 25.913 12.424 7.604 1.00 42.04 ? 425 CYS A SG 1 ATOM 630 N N . VAL A 1 85 ? 27.293 15.768 9.146 1.00 44.20 ? 426 VAL A N 1 ATOM 631 C CA . VAL A 1 85 ? 27.316 15.997 10.589 1.00 43.87 ? 426 VAL A CA 1 ATOM 632 C C . VAL A 1 85 ? 26.429 17.138 11.082 1.00 43.52 ? 426 VAL A C 1 ATOM 633 O O . VAL A 1 85 ? 26.064 17.179 12.254 1.00 42.76 ? 426 VAL A O 1 ATOM 634 C CB . VAL A 1 85 ? 28.744 16.222 11.118 1.00 43.83 ? 426 VAL A CB 1 ATOM 635 C CG1 . VAL A 1 85 ? 28.710 16.419 12.616 1.00 44.16 ? 426 VAL A CG1 1 ATOM 636 C CG2 . VAL A 1 85 ? 29.634 15.047 10.769 1.00 43.79 ? 426 VAL A CG2 1 ATOM 637 N N . LEU A 1 86 ? 26.086 18.060 10.187 1.00 43.62 ? 427 LEU A N 1 ATOM 638 C CA . LEU A 1 86 ? 25.243 19.201 10.546 1.00 43.75 ? 427 LEU A CA 1 ATOM 639 C C . LEU A 1 86 ? 23.858 19.120 9.906 1.00 43.72 ? 427 LEU A C 1 ATOM 640 O O . LEU A 1 86 ? 22.968 19.906 10.236 1.00 43.65 ? 427 LEU A O 1 ATOM 641 C CB . LEU A 1 86 ? 25.912 20.518 10.153 1.00 43.98 ? 427 LEU A CB 1 ATOM 642 C CG . LEU A 1 86 ? 27.215 20.933 10.853 1.00 44.63 ? 427 LEU A CG 1 ATOM 643 C CD1 . LEU A 1 86 ? 27.663 22.305 10.357 1.00 44.62 ? 427 LEU A CD1 1 ATOM 644 C CD2 . LEU A 1 86 ? 27.066 20.950 12.367 1.00 43.79 ? 427 LEU A CD2 1 ATOM 645 N N . ARG A 1 87 ? 23.684 18.102 8.961 1.00 43.64 ? 428 ARG A N 1 ATOM 646 C CA . ARG A 1 87 ? 22.415 17.813 8.268 1.00 43.72 ? 428 ARG A CA 1 ATOM 647 C C . ARG A 1 87 ? 21.354 17.317 9.257 1.00 43.01 ? 428 ARG A C 1 ATOM 648 O O . ARG A 1 87 ? 21.584 16.415 10.067 1.00 43.36 ? 428 ARG A O 1 ATOM 649 C CB . ARG A 1 87 ? 22.591 16.788 7.103 1.00 44.04 ? 428 ARG A CB 1 ATOM 650 C CG . ARG A 1 87 ? 21.419 16.764 6.100 1.00 46.05 ? 428 ARG A CG 1 ATOM 651 C CD . ARG A 1 87 ? 21.433 15.575 5.167 1.00 48.89 ? 428 ARG A CD 1 ATOM 652 N NE . ARG A 1 87 ? 22.778 15.237 4.702 1.00 50.88 ? 428 ARG A NE 1 ATOM 653 C CZ . ARG A 1 87 ? 23.210 13.996 4.593 1.00 51.59 ? 428 ARG A CZ 1 ATOM 654 N NH1 . ARG A 1 87 ? 22.428 12.982 4.914 1.00 52.03 ? 428 ARG A NH1 1 ATOM 655 N NH2 . ARG A 1 87 ? 24.446 13.764 4.163 1.00 51.86 ? 428 ARG A NH2 1 ATOM 656 N N . PRO A 1 88 ? 20.156 17.969 9.097 1.00 42.52 ? 429 PRO A N 1 ATOM 657 C CA . PRO A 1 88 ? 19.056 17.616 9.937 1.00 41.73 ? 429 PRO A CA 1 ATOM 658 C C . PRO A 1 88 ? 18.762 16.135 9.814 1.00 41.28 ? 429 PRO A C 1 ATOM 659 O O . PRO A 1 88 ? 18.990 15.568 8.751 1.00 41.19 ? 429 PRO A O 1 ATOM 660 C CB . PRO A 1 88 ? 17.948 18.547 9.458 1.00 41.81 ? 429 PRO A CB 1 ATOM 661 C CG . PRO A 1 88 ? 18.728 19.791 9.185 1.00 42.26 ? 429 PRO A CG 1 ATOM 662 C CD . PRO A 1 88 ? 20.163 19.408 8.931 1.00 42.23 ? 429 PRO A CD 1 ATOM 663 N N . THR A 1 89 ? 18.249 15.473 10.877 1.00 40.32 ? 430 THR A N 1 ATOM 664 C CA . THR A 1 89 ? 17.947 14.047 10.604 1.00 39.46 ? 430 THR A CA 1 ATOM 665 C C . THR A 1 89 ? 16.509 13.925 9.999 1.00 39.11 ? 430 THR A C 1 ATOM 666 O O . THR A 1 89 ? 15.591 14.644 10.411 1.00 39.12 ? 430 THR A O 1 ATOM 667 C CB . THR A 1 89 ? 18.153 13.193 11.888 1.00 39.52 ? 430 THR A CB 1 ATOM 668 O OG1 . THR A 1 89 ? 17.249 13.657 12.892 1.00 38.70 ? 430 THR A OG1 1 ATOM 669 C CG2 . THR A 1 89 ? 19.585 13.328 12.384 1.00 39.06 ? 430 THR A CG2 1 ATOM 670 N N . GLU A 1 90 ? 16.352 12.983 9.035 1.00 38.23 ? 431 GLU A N 1 ATOM 671 C CA . GLU A 1 90 ? 15.050 12.750 8.348 1.00 37.64 ? 431 GLU A CA 1 ATOM 672 C C . GLU A 1 90 ? 14.059 11.832 9.096 1.00 36.08 ? 431 GLU A C 1 ATOM 673 O O . GLU A 1 90 ? 12.868 12.106 9.128 1.00 36.59 ? 431 GLU A O 1 ATOM 674 C CB . GLU A 1 90 ? 15.298 12.213 6.927 1.00 38.20 ? 431 GLU A CB 1 ATOM 675 C CG . GLU A 1 90 ? 15.873 13.266 5.978 1.00 41.36 ? 431 GLU A CG 1 ATOM 676 C CD . GLU A 1 90 ? 15.237 13.327 4.593 1.00 44.72 ? 431 GLU A CD 1 ATOM 677 O OE1 . GLU A 1 90 ? 14.328 14.176 4.388 1.00 44.87 ? 431 GLU A OE1 1 ATOM 678 O OE2 . GLU A 1 90 ? 15.646 12.528 3.714 1.00 45.70 ? 431 GLU A OE2 1 ATOM 679 N N . GLY A 1 91 ? 14.549 10.748 9.681 1.00 34.19 ? 432 GLY A N 1 ATOM 680 C CA . GLY A 1 91 ? 13.698 9.823 10.419 1.00 31.05 ? 432 GLY A CA 1 ATOM 681 C C . GLY A 1 91 ? 13.501 8.625 9.523 1.00 28.89 ? 432 GLY A C 1 ATOM 682 O O . GLY A 1 91 ? 13.920 8.650 8.373 1.00 29.33 ? 432 GLY A O 1 ATOM 683 N N . TYR A 1 92 ? 12.887 7.561 10.006 1.00 26.21 ? 433 TYR A N 1 ATOM 684 C CA . TYR A 1 92 ? 12.704 6.455 9.097 1.00 23.45 ? 433 TYR A CA 1 ATOM 685 C C . TYR A 1 92 ? 11.262 6.029 9.050 1.00 22.33 ? 433 TYR A C 1 ATOM 686 O O . TYR A 1 92 ? 10.514 6.280 9.988 1.00 22.30 ? 433 TYR A O 1 ATOM 687 C CB . TYR A 1 92 ? 13.670 5.300 9.391 1.00 22.95 ? 433 TYR A CB 1 ATOM 688 C CG . TYR A 1 92 ? 13.647 4.716 10.785 1.00 21.62 ? 433 TYR A CG 1 ATOM 689 C CD1 . TYR A 1 92 ? 12.781 3.675 11.116 1.00 19.66 ? 433 TYR A CD1 1 ATOM 690 C CD2 . TYR A 1 92 ? 14.539 5.154 11.754 1.00 19.18 ? 433 TYR A CD2 1 ATOM 691 C CE1 . TYR A 1 92 ? 12.792 3.119 12.396 1.00 20.09 ? 433 TYR A CE1 1 ATOM 692 C CE2 . TYR A 1 92 ? 14.548 4.603 13.026 1.00 18.06 ? 433 TYR A CE2 1 ATOM 693 C CZ . TYR A 1 92 ? 13.691 3.590 13.344 1.00 17.20 ? 433 TYR A CZ 1 ATOM 694 O OH . TYR A 1 92 ? 13.724 3.044 14.607 1.00 14.85 ? 433 TYR A OH 1 ATOM 695 N N . LEU A 1 93 ? 10.876 5.382 7.953 1.00 20.79 ? 434 LEU A N 1 ATOM 696 C CA . LEU A 1 93 ? 9.497 4.956 7.776 1.00 19.82 ? 434 LEU A CA 1 ATOM 697 C C . LEU A 1 93 ? 9.259 3.580 8.393 1.00 19.14 ? 434 LEU A C 1 ATOM 698 O O . LEU A 1 93 ? 9.945 2.629 8.056 1.00 19.49 ? 434 LEU A O 1 ATOM 699 C CB . LEU A 1 93 ? 9.140 4.942 6.282 1.00 19.52 ? 434 LEU A CB 1 ATOM 700 C CG . LEU A 1 93 ? 9.307 6.260 5.510 1.00 20.18 ? 434 LEU A CG 1 ATOM 701 C CD1 . LEU A 1 93 ? 8.871 6.139 4.065 1.00 18.00 ? 434 LEU A CD1 1 ATOM 702 C CD2 . LEU A 1 93 ? 8.576 7.427 6.189 1.00 20.81 ? 434 LEU A CD2 1 ATOM 703 N N . ALA A 1 94 ? 8.299 3.471 9.300 1.00 18.42 ? 435 ALA A N 1 ATOM 704 C CA . ALA A 1 94 ? 7.948 2.175 9.873 1.00 17.82 ? 435 ALA A CA 1 ATOM 705 C C . ALA A 1 94 ? 6.886 1.541 8.972 1.00 17.78 ? 435 ALA A C 1 ATOM 706 O O . ALA A 1 94 ? 5.834 2.142 8.744 1.00 18.76 ? 435 ALA A O 1 ATOM 707 C CB . ALA A 1 94 ? 7.403 2.357 11.250 1.00 17.76 ? 435 ALA A CB 1 ATOM 708 N N . VAL A 1 95 ? 7.150 0.346 8.449 1.00 16.94 ? 436 VAL A N 1 ATOM 709 C CA . VAL A 1 95 ? 6.218 -0.303 7.523 1.00 15.73 ? 436 VAL A CA 1 ATOM 710 C C . VAL A 1 95 ? 5.837 -1.707 7.957 1.00 15.66 ? 436 VAL A C 1 ATOM 711 O O . VAL A 1 95 ? 6.538 -2.333 8.763 1.00 15.44 ? 436 VAL A O 1 ATOM 712 C CB . VAL A 1 95 ? 6.841 -0.445 6.120 1.00 15.59 ? 436 VAL A CB 1 ATOM 713 C CG1 . VAL A 1 95 ? 7.139 0.918 5.515 1.00 16.50 ? 436 VAL A CG1 1 ATOM 714 C CG2 . VAL A 1 95 ? 8.091 -1.292 6.169 1.00 13.92 ? 436 VAL A CG2 1 ATOM 715 N N . ALA A 1 96 ? 4.736 -2.211 7.412 1.00 15.31 ? 437 ALA A N 1 ATOM 716 C CA . ALA A 1 96 ? 4.330 -3.599 7.636 1.00 15.90 ? 437 ALA A CA 1 ATOM 717 C C . ALA A 1 96 ? 4.503 -4.263 6.285 1.00 16.34 ? 437 ALA A C 1 ATOM 718 O O . ALA A 1 96 ? 3.943 -3.802 5.308 1.00 16.19 ? 437 ALA A O 1 ATOM 719 C CB . ALA A 1 96 ? 2.889 -3.689 8.108 1.00 15.53 ? 437 ALA A CB 1 ATOM 720 N N . VAL A 1 97 ? 5.307 -5.323 6.227 1.00 17.01 ? 438 VAL A N 1 ATOM 721 C CA . VAL A 1 97 ? 5.646 -5.970 4.969 1.00 16.80 ? 438 VAL A CA 1 ATOM 722 C C . VAL A 1 97 ? 5.101 -7.383 4.911 1.00 18.06 ? 438 VAL A C 1 ATOM 723 O O . VAL A 1 97 ? 5.109 -8.107 5.914 1.00 18.10 ? 438 VAL A O 1 ATOM 724 C CB . VAL A 1 97 ? 7.168 -6.078 4.819 1.00 17.01 ? 438 VAL A CB 1 ATOM 725 C CG1 . VAL A 1 97 ? 7.558 -6.585 3.434 1.00 15.05 ? 438 VAL A CG1 1 ATOM 726 C CG2 . VAL A 1 97 ? 7.838 -4.747 5.148 1.00 16.90 ? 438 VAL A CG2 1 ATOM 727 N N . VAL A 1 98 ? 4.652 -7.776 3.719 1.00 18.84 ? 439 VAL A N 1 ATOM 728 C CA . VAL A 1 98 ? 4.134 -9.121 3.466 1.00 19.10 ? 439 VAL A CA 1 ATOM 729 C C . VAL A 1 98 ? 4.596 -9.649 2.111 1.00 19.92 ? 439 VAL A C 1 ATOM 730 O O . VAL A 1 98 ? 5.247 -8.954 1.336 1.00 19.60 ? 439 VAL A O 1 ATOM 731 C CB . VAL A 1 98 ? 2.594 -9.130 3.501 1.00 19.32 ? 439 VAL A CB 1 ATOM 732 C CG1 . VAL A 1 98 ? 2.095 -8.672 4.867 1.00 18.31 ? 439 VAL A CG1 1 ATOM 733 C CG2 . VAL A 1 98 ? 2.017 -8.209 2.397 1.00 18.26 ? 439 VAL A CG2 1 ATOM 734 N N . LYS A 1 99 ? 4.261 -10.904 1.841 1.00 21.43 ? 440 LYS A N 1 ATOM 735 C CA . LYS A 1 99 ? 4.591 -11.537 0.570 1.00 22.22 ? 440 LYS A CA 1 ATOM 736 C C . LYS A 1 99 ? 3.445 -11.308 -0.389 1.00 22.83 ? 440 LYS A C 1 ATOM 737 O O . LYS A 1 99 ? 2.291 -11.453 -0.023 1.00 22.47 ? 440 LYS A O 1 ATOM 738 C CB . LYS A 1 99 ? 4.796 -13.032 0.751 1.00 22.48 ? 440 LYS A CB 1 ATOM 739 C CG . LYS A 1 99 ? 6.028 -13.407 1.556 1.00 23.36 ? 440 LYS A CG 1 ATOM 740 C CD . LYS A 1 99 ? 7.243 -13.586 0.655 1.00 21.50 ? 440 LYS A CD 1 ATOM 741 C CE . LYS A 1 99 ? 8.408 -14.222 1.412 1.00 22.46 ? 440 LYS A CE 1 ATOM 742 N NZ . LYS A 1 99 ? 8.412 -15.774 1.358 1.00 20.73 ? 440 LYS A NZ 1 ATOM 743 N N . LYS A 1 100 ? 3.759 -10.923 -1.615 1.00 24.11 ? 441 LYS A N 1 ATOM 744 C CA . LYS A 1 100 ? 2.715 -10.716 -2.597 1.00 25.51 ? 441 LYS A CA 1 ATOM 745 C C . LYS A 1 100 ? 1.883 -11.985 -2.730 1.00 25.96 ? 441 LYS A C 1 ATOM 746 O O . LYS A 1 100 ? 0.644 -11.956 -2.743 1.00 26.59 ? 441 LYS A O 1 ATOM 747 C CB . LYS A 1 100 ? 3.322 -10.371 -3.952 1.00 25.48 ? 441 LYS A CB 1 ATOM 748 C CG . LYS A 1 100 ? 2.284 -10.230 -5.032 1.00 27.78 ? 441 LYS A CG 1 ATOM 749 C CD . LYS A 1 100 ? 2.834 -9.545 -6.277 1.00 31.66 ? 441 LYS A CD 1 ATOM 750 C CE . LYS A 1 100 ? 3.671 -10.482 -7.143 1.00 31.80 ? 441 LYS A CE 1 ATOM 751 N NZ . LYS A 1 100 ? 4.514 -9.677 -8.089 1.00 34.09 ? 441 LYS A NZ 1 ATOM 752 N N . ALA A 1 101 ? 2.584 -13.101 -2.809 1.00 26.10 ? 442 ALA A N 1 ATOM 753 C CA . ALA A 1 101 ? 1.964 -14.388 -3.021 1.00 26.77 ? 442 ALA A CA 1 ATOM 754 C C . ALA A 1 101 ? 0.921 -14.718 -1.969 1.00 27.08 ? 442 ALA A C 1 ATOM 755 O O . ALA A 1 101 ? 0.133 -15.650 -2.148 1.00 27.14 ? 442 ALA A O 1 ATOM 756 C CB . ALA A 1 101 ? 3.035 -15.472 -3.079 1.00 26.65 ? 442 ALA A CB 1 ATOM 757 N N . ASN A 1 102 ? 0.936 -13.968 -0.870 1.00 27.41 ? 443 ASN A N 1 ATOM 758 C CA . ASN A 1 102 ? -0.038 -14.124 0.208 1.00 27.79 ? 443 ASN A CA 1 ATOM 759 C C . ASN A 1 102 ? -1.157 -13.117 -0.020 1.00 28.12 ? 443 ASN A C 1 ATOM 760 O O . ASN A 1 102 ? -1.287 -12.126 0.700 1.00 28.11 ? 443 ASN A O 1 ATOM 761 C CB . ASN A 1 102 ? 0.634 -13.874 1.558 1.00 27.84 ? 443 ASN A CB 1 ATOM 762 C CG . ASN A 1 102 ? -0.210 -14.321 2.733 1.00 28.47 ? 443 ASN A CG 1 ATOM 763 O OD1 . ASN A 1 102 ? -1.442 -14.227 2.717 1.00 31.48 ? 443 ASN A OD1 1 ATOM 764 N ND2 . ASN A 1 102 ? 0.452 -14.800 3.770 1.00 28.09 ? 443 ASN A ND2 1 ATOM 765 N N . GLU A 1 103 ? -1.951 -13.379 -1.048 1.00 28.86 ? 444 GLU A N 1 ATOM 766 C CA . GLU A 1 103 ? -3.037 -12.502 -1.479 1.00 29.47 ? 444 GLU A CA 1 ATOM 767 C C . GLU A 1 103 ? -4.127 -12.372 -0.443 1.00 29.67 ? 444 GLU A C 1 ATOM 768 O O . GLU A 1 103 ? -4.344 -13.265 0.348 1.00 30.28 ? 444 GLU A O 1 ATOM 769 C CB . GLU A 1 103 ? -3.644 -13.066 -2.770 1.00 29.68 ? 444 GLU A CB 1 ATOM 770 C CG . GLU A 1 103 ? -2.673 -13.089 -3.933 1.00 30.53 ? 444 GLU A CG 1 ATOM 771 C CD . GLU A 1 103 ? -3.084 -14.036 -5.039 1.00 32.14 ? 444 GLU A CD 1 ATOM 772 O OE1 . GLU A 1 103 ? -2.175 -14.653 -5.643 1.00 34.35 ? 444 GLU A OE1 1 ATOM 773 O OE2 . GLU A 1 103 ? -4.295 -14.167 -5.313 1.00 31.19 ? 444 GLU A OE2 1 ATOM 774 N N . GLY A 1 104 ? -4.832 -11.260 -0.425 1.00 29.74 ? 445 GLY A N 1 ATOM 775 C CA . GLY A 1 104 ? -5.917 -11.156 0.534 1.00 30.23 ? 445 GLY A CA 1 ATOM 776 C C . GLY A 1 104 ? -5.520 -10.813 1.961 1.00 30.00 ? 445 GLY A C 1 ATOM 777 O O . GLY A 1 104 ? -6.377 -10.650 2.823 1.00 30.42 ? 445 GLY A O 1 ATOM 778 N N . LEU A 1 105 ? -4.227 -10.726 2.241 1.00 29.48 ? 446 LEU A N 1 ATOM 779 C CA . LEU A 1 105 ? -3.826 -10.287 3.570 1.00 28.59 ? 446 LEU A CA 1 ATOM 780 C C . LEU A 1 105 ? -3.686 -8.771 3.558 1.00 28.34 ? 446 LEU A C 1 ATOM 781 O O . LEU A 1 105 ? -2.937 -8.218 2.753 1.00 27.91 ? 446 LEU A O 1 ATOM 782 C CB . LEU A 1 105 ? -2.524 -10.937 4.011 1.00 28.40 ? 446 LEU A CB 1 ATOM 783 C CG . LEU A 1 105 ? -2.072 -10.513 5.410 1.00 28.18 ? 446 LEU A CG 1 ATOM 784 C CD1 . LEU A 1 105 ? -3.195 -10.632 6.437 1.00 26.61 ? 446 LEU A CD1 1 ATOM 785 C CD2 . LEU A 1 105 ? -0.854 -11.328 5.840 1.00 28.37 ? 446 LEU A CD2 1 ATOM 786 N N . THR A 1 106 ? -4.440 -8.102 4.428 1.00 27.88 ? 447 THR A N 1 ATOM 787 C CA . THR A 1 106 ? -4.363 -6.653 4.563 1.00 27.42 ? 447 THR A CA 1 ATOM 788 C C . THR A 1 106 ? -4.335 -6.344 6.038 1.00 27.79 ? 447 THR A C 1 ATOM 789 O O . THR A 1 106 ? -4.579 -7.220 6.848 1.00 27.91 ? 447 THR A O 1 ATOM 790 C CB . THR A 1 106 ? -5.616 -5.954 4.006 1.00 27.31 ? 447 THR A CB 1 ATOM 791 O OG1 . THR A 1 106 ? -6.726 -6.189 4.896 1.00 26.54 ? 447 THR A OG1 1 ATOM 792 C CG2 . THR A 1 106 ? -6.048 -6.530 2.657 1.00 25.73 ? 447 THR A CG2 1 ATOM 793 N N . TRP A 1 107 ? -4.095 -5.081 6.375 1.00 28.04 ? 448 TRP A N 1 ATOM 794 C CA . TRP A 1 107 ? -4.098 -4.613 7.756 1.00 28.47 ? 448 TRP A CA 1 ATOM 795 C C . TRP A 1 107 ? -5.351 -5.042 8.510 1.00 28.89 ? 448 TRP A C 1 ATOM 796 O O . TRP A 1 107 ? -5.319 -5.246 9.728 1.00 28.74 ? 448 TRP A O 1 ATOM 797 C CB . TRP A 1 107 ? -4.002 -3.084 7.795 1.00 28.27 ? 448 TRP A CB 1 ATOM 798 C CG . TRP A 1 107 ? -3.967 -2.548 9.184 1.00 28.56 ? 448 TRP A CG 1 ATOM 799 C CD1 . TRP A 1 107 ? -5.021 -2.026 9.906 1.00 28.90 ? 448 TRP A CD1 1 ATOM 800 C CD2 . TRP A 1 107 ? -2.826 -2.501 10.059 1.00 27.14 ? 448 TRP A CD2 1 ATOM 801 N NE1 . TRP A 1 107 ? -4.595 -1.661 11.164 1.00 26.96 ? 448 TRP A NE1 1 ATOM 802 C CE2 . TRP A 1 107 ? -3.255 -1.936 11.282 1.00 27.03 ? 448 TRP A CE2 1 ATOM 803 C CE3 . TRP A 1 107 ? -1.482 -2.866 9.926 1.00 25.46 ? 448 TRP A CE3 1 ATOM 804 C CZ2 . TRP A 1 107 ? -2.387 -1.724 12.351 1.00 26.85 ? 448 TRP A CZ2 1 ATOM 805 C CZ3 . TRP A 1 107 ? -0.624 -2.659 10.996 1.00 26.09 ? 448 TRP A CZ3 1 ATOM 806 C CH2 . TRP A 1 107 ? -1.079 -2.095 12.187 1.00 25.62 ? 448 TRP A CH2 1 ATOM 807 N N . ASN A 1 108 ? -6.457 -5.168 7.781 1.00 29.94 ? 449 ASN A N 1 ATOM 808 C CA . ASN A 1 108 ? -7.746 -5.545 8.367 1.00 30.61 ? 449 ASN A CA 1 ATOM 809 C C . ASN A 1 108 ? -7.924 -7.047 8.521 1.00 30.60 ? 449 ASN A C 1 ATOM 810 O O . ASN A 1 108 ? -8.991 -7.500 8.900 1.00 31.31 ? 449 ASN A O 1 ATOM 811 C CB . ASN A 1 108 ? -8.917 -5.030 7.518 1.00 31.02 ? 449 ASN A CB 1 ATOM 812 C CG . ASN A 1 108 ? -8.977 -3.504 7.422 1.00 32.17 ? 449 ASN A CG 1 ATOM 813 O OD1 . ASN A 1 108 ? -8.606 -2.778 8.344 1.00 32.89 ? 449 ASN A OD1 1 ATOM 814 N ND2 . ASN A 1 108 ? -9.482 -3.020 6.299 1.00 34.51 ? 449 ASN A ND2 1 ATOM 815 N N . SER A 1 109 ? -6.909 -7.833 8.208 1.00 30.59 ? 450 SER A N 1 ATOM 816 C CA . SER A 1 109 ? -7.048 -9.270 8.378 1.00 30.76 ? 450 SER A CA 1 ATOM 817 C C . SER A 1 109 ? -5.814 -9.841 9.069 1.00 30.79 ? 450 SER A C 1 ATOM 818 O O . SER A 1 109 ? -5.501 -11.031 8.937 1.00 31.30 ? 450 SER A O 1 ATOM 819 C CB . SER A 1 109 ? -7.324 -9.960 7.039 1.00 30.44 ? 450 SER A CB 1 ATOM 820 O OG . SER A 1 109 ? -6.359 -9.579 6.064 1.00 31.78 ? 450 SER A OG 1 ATOM 821 N N . LEU A 1 110 ? -5.118 -8.986 9.815 1.00 30.44 ? 451 LEU A N 1 ATOM 822 C CA . LEU A 1 110 ? -3.931 -9.411 10.548 1.00 29.96 ? 451 LEU A CA 1 ATOM 823 C C . LEU A 1 110 ? -4.276 -10.350 11.713 1.00 29.68 ? 451 LEU A C 1 ATOM 824 O O . LEU A 1 110 ? -3.488 -11.231 12.066 1.00 29.87 ? 451 LEU A O 1 ATOM 825 C CB . LEU A 1 110 ? -3.135 -8.197 11.040 1.00 30.02 ? 451 LEU A CB 1 ATOM 826 C CG . LEU A 1 110 ? -2.207 -7.557 10.000 1.00 30.51 ? 451 LEU A CG 1 ATOM 827 C CD1 . LEU A 1 110 ? -1.149 -6.625 10.632 1.00 29.81 ? 451 LEU A CD1 1 ATOM 828 C CD2 . LEU A 1 110 ? -1.534 -8.634 9.161 1.00 30.20 ? 451 LEU A CD2 1 ATOM 829 N N . LYS A 1 111 ? -5.453 -10.185 12.298 1.00 28.97 ? 452 LYS A N 1 ATOM 830 C CA . LYS A 1 111 ? -5.828 -10.999 13.458 1.00 28.85 ? 452 LYS A CA 1 ATOM 831 C C . LYS A 1 111 ? -5.661 -12.505 13.244 1.00 27.96 ? 452 LYS A C 1 ATOM 832 O O . LYS A 1 111 ? -6.123 -13.063 12.262 1.00 27.61 ? 452 LYS A O 1 ATOM 833 C CB . LYS A 1 111 ? -7.244 -10.657 13.951 1.00 29.24 ? 452 LYS A CB 1 ATOM 834 C CG . LYS A 1 111 ? -7.789 -11.652 14.979 1.00 32.09 ? 452 LYS A CG 1 ATOM 835 C CD . LYS A 1 111 ? -8.247 -10.956 16.265 1.00 36.12 ? 452 LYS A CD 1 ATOM 836 C CE . LYS A 1 111 ? -9.777 -10.851 16.386 1.00 38.94 ? 452 LYS A CE 1 ATOM 837 N NZ . LYS A 1 111 ? -10.337 -11.817 17.396 1.00 39.82 ? 452 LYS A NZ 1 ATOM 838 N N . ASP A 1 112 ? -4.979 -13.157 14.179 1.00 27.37 ? 453 ASP A N 1 ATOM 839 C CA . ASP A 1 112 ? -4.719 -14.588 14.087 1.00 26.60 ? 453 ASP A CA 1 ATOM 840 C C . ASP A 1 112 ? -3.654 -14.998 13.056 1.00 25.71 ? 453 ASP A C 1 ATOM 841 O O . ASP A 1 112 ? -3.523 -16.188 12.732 1.00 25.65 ? 453 ASP A O 1 ATOM 842 C CB . ASP A 1 112 ? -6.020 -15.347 13.819 1.00 27.36 ? 453 ASP A CB 1 ATOM 843 C CG . ASP A 1 112 ? -6.920 -15.396 15.025 1.00 28.48 ? 453 ASP A CG 1 ATOM 844 O OD1 . ASP A 1 112 ? -8.004 -15.989 14.922 1.00 32.98 ? 453 ASP A OD1 1 ATOM 845 O OD2 . ASP A 1 112 ? -6.649 -14.864 16.114 1.00 30.03 ? 453 ASP A OD2 1 ATOM 846 N N . LYS A 1 113 ? -2.905 -14.033 12.534 1.00 24.45 ? 454 LYS A N 1 ATOM 847 C CA . LYS A 1 113 ? -1.811 -14.343 11.615 1.00 23.42 ? 454 LYS A CA 1 ATOM 848 C C . LYS A 1 113 ? -0.473 -14.407 12.367 1.00 22.66 ? 454 LYS A C 1 ATOM 849 O O . LYS A 1 113 ? -0.410 -14.130 13.570 1.00 22.63 ? 454 LYS A O 1 ATOM 850 C CB . LYS A 1 113 ? -1.749 -13.327 10.472 1.00 24.08 ? 454 LYS A CB 1 ATOM 851 C CG . LYS A 1 113 ? -3.035 -13.244 9.621 1.00 25.01 ? 454 LYS A CG 1 ATOM 852 C CD . LYS A 1 113 ? -3.371 -14.594 9.015 1.00 28.92 ? 454 LYS A CD 1 ATOM 853 C CE . LYS A 1 113 ? -4.547 -14.505 8.055 1.00 31.40 ? 454 LYS A CE 1 ATOM 854 N NZ . LYS A 1 113 ? -5.846 -14.312 8.773 1.00 34.76 ? 454 LYS A NZ 1 ATOM 855 N N . LYS A 1 114 ? 0.587 -14.785 11.663 1.00 21.31 ? 455 LYS A N 1 ATOM 856 C CA . LYS A 1 114 ? 1.900 -14.908 12.277 1.00 20.21 ? 455 LYS A CA 1 ATOM 857 C C . LYS A 1 114 ? 2.732 -13.654 12.041 1.00 19.44 ? 455 LYS A C 1 ATOM 858 O O . LYS A 1 114 ? 2.803 -13.166 10.923 1.00 18.99 ? 455 LYS A O 1 ATOM 859 C CB . LYS A 1 114 ? 2.612 -16.164 11.755 1.00 20.64 ? 455 LYS A CB 1 ATOM 860 C CG . LYS A 1 114 ? 1.860 -17.455 12.052 1.00 20.45 ? 455 LYS A CG 1 ATOM 861 C CD . LYS A 1 114 ? 2.603 -18.668 11.516 1.00 24.67 ? 455 LYS A CD 1 ATOM 862 C CE . LYS A 1 114 ? 2.356 -18.853 10.008 1.00 28.84 ? 455 LYS A CE 1 ATOM 863 N NZ . LYS A 1 114 ? 3.379 -19.707 9.296 1.00 31.18 ? 455 LYS A NZ 1 ATOM 864 N N . SER A 1 115 ? 3.374 -13.147 13.098 1.00 18.37 ? 456 SER A N 1 ATOM 865 C CA . SER A 1 115 ? 4.115 -11.896 13.000 1.00 17.38 ? 456 SER A CA 1 ATOM 866 C C . SER A 1 115 ? 5.598 -11.976 13.379 1.00 16.86 ? 456 SER A C 1 ATOM 867 O O . SER A 1 115 ? 6.011 -12.829 14.170 1.00 16.83 ? 456 SER A O 1 ATOM 868 C CB . SER A 1 115 ? 3.386 -10.801 13.787 1.00 17.12 ? 456 SER A CB 1 ATOM 869 O OG . SER A 1 115 ? 3.324 -11.105 15.152 1.00 16.44 ? 456 SER A OG 1 ATOM 870 N N . CYS A 1 116 ? 6.392 -11.100 12.770 1.00 16.18 ? 457 CYS A N 1 ATOM 871 C CA . CYS A 1 116 ? 7.847 -11.016 12.996 1.00 15.32 ? 457 CYS A CA 1 ATOM 872 C C . CYS A 1 116 ? 8.176 -9.585 13.423 1.00 14.80 ? 457 CYS A C 1 ATOM 873 O O . CYS A 1 116 ? 7.930 -8.645 12.665 1.00 14.47 ? 457 CYS A O 1 ATOM 874 C CB . CYS A 1 116 ? 8.613 -11.345 11.722 1.00 15.41 ? 457 CYS A CB 1 ATOM 875 S SG . CYS A 1 116 ? 8.186 -12.928 10.938 1.00 16.96 ? 457 CYS A SG 1 ATOM 876 N N . HIS A 1 117 ? 8.709 -9.436 14.639 1.00 14.10 ? 458 HIS A N 1 ATOM 877 C CA . HIS A 1 117 ? 9.044 -8.142 15.245 1.00 13.32 ? 458 HIS A CA 1 ATOM 878 C C . HIS A 1 117 ? 10.540 -8.046 15.500 1.00 12.82 ? 458 HIS A C 1 ATOM 879 O O . HIS A 1 117 ? 11.162 -9.036 15.797 1.00 12.32 ? 458 HIS A O 1 ATOM 880 C CB . HIS A 1 117 ? 8.314 -7.991 16.592 1.00 12.98 ? 458 HIS A CB 1 ATOM 881 C CG . HIS A 1 117 ? 6.849 -8.279 16.515 1.00 12.36 ? 458 HIS A CG 1 ATOM 882 N ND1 . HIS A 1 117 ? 5.903 -7.292 16.353 1.00 10.89 ? 458 HIS A ND1 1 ATOM 883 C CD2 . HIS A 1 117 ? 6.169 -9.453 16.554 1.00 12.84 ? 458 HIS A CD2 1 ATOM 884 C CE1 . HIS A 1 117 ? 4.702 -7.845 16.286 1.00 10.33 ? 458 HIS A CE1 1 ATOM 885 N NE2 . HIS A 1 117 ? 4.838 -9.155 16.396 1.00 11.97 ? 458 HIS A NE2 1 ATOM 886 N N . THR A 1 118 ? 11.118 -6.855 15.392 1.00 12.77 ? 459 THR A N 1 ATOM 887 C CA . THR A 1 118 ? 12.554 -6.714 15.606 1.00 12.74 ? 459 THR A CA 1 ATOM 888 C C . THR A 1 118 ? 12.928 -7.107 17.031 1.00 13.00 ? 459 THR A C 1 ATOM 889 O O . THR A 1 118 ? 13.954 -7.741 17.261 1.00 12.35 ? 459 THR A O 1 ATOM 890 C CB . THR A 1 118 ? 13.010 -5.275 15.317 1.00 12.43 ? 459 THR A CB 1 ATOM 891 O OG1 . THR A 1 118 ? 12.237 -4.355 16.117 1.00 13.16 ? 459 THR A OG1 1 ATOM 892 C CG2 . THR A 1 118 ? 12.675 -4.921 13.895 1.00 11.15 ? 459 THR A CG2 1 ATOM 893 N N . ALA A 1 119 ? 12.070 -6.731 17.971 1.00 13.66 ? 460 ALA A N 1 ATOM 894 C CA . ALA A 1 119 ? 12.257 -7.022 19.394 1.00 14.77 ? 460 ALA A CA 1 ATOM 895 C C . ALA A 1 119 ? 11.239 -6.220 20.181 1.00 15.50 ? 460 ALA A C 1 ATOM 896 O O . ALA A 1 119 ? 10.840 -5.132 19.755 1.00 16.87 ? 460 ALA A O 1 ATOM 897 C CB . ALA A 1 119 ? 13.648 -6.640 19.830 1.00 14.41 ? 460 ALA A CB 1 ATOM 898 N N . VAL A 1 120 ? 10.808 -6.728 21.324 1.00 15.64 ? 461 VAL A N 1 ATOM 899 C CA . VAL A 1 120 ? 9.871 -5.976 22.162 1.00 15.38 ? 461 VAL A CA 1 ATOM 900 C C . VAL A 1 120 ? 10.415 -4.574 22.485 1.00 15.86 ? 461 VAL A C 1 ATOM 901 O O . VAL A 1 120 ? 11.614 -4.379 22.639 1.00 16.22 ? 461 VAL A O 1 ATOM 902 C CB . VAL A 1 120 ? 9.557 -6.777 23.465 1.00 15.27 ? 461 VAL A CB 1 ATOM 903 C CG1 . VAL A 1 120 ? 8.791 -5.954 24.470 1.00 14.79 ? 461 VAL A CG1 1 ATOM 904 C CG2 . VAL A 1 120 ? 8.758 -8.023 23.125 1.00 15.23 ? 461 VAL A CG2 1 ATOM 905 N N . ASP A 1 121 ? 9.536 -3.588 22.574 1.00 16.75 ? 462 ASP A N 1 ATOM 906 C CA . ASP A 1 121 ? 9.948 -2.239 22.942 1.00 17.52 ? 462 ASP A CA 1 ATOM 907 C C . ASP A 1 121 ? 10.658 -1.407 21.891 1.00 16.62 ? 462 ASP A C 1 ATOM 908 O O . ASP A 1 121 ? 11.009 -0.246 22.166 1.00 16.60 ? 462 ASP A O 1 ATOM 909 C CB . ASP A 1 121 ? 10.865 -2.284 24.165 1.00 18.51 ? 462 ASP A CB 1 ATOM 910 C CG . ASP A 1 121 ? 10.110 -2.253 25.447 1.00 21.85 ? 462 ASP A CG 1 ATOM 911 O OD1 . ASP A 1 121 ? 8.857 -2.340 25.428 1.00 24.01 ? 462 ASP A OD1 1 ATOM 912 O OD2 . ASP A 1 121 ? 10.707 -2.157 26.538 1.00 26.84 ? 462 ASP A OD2 1 ATOM 913 N N . ARG A 1 122 ? 10.932 -1.977 20.731 1.00 15.82 ? 463 ARG A N 1 ATOM 914 C CA . ARG A 1 122 ? 11.566 -1.193 19.663 1.00 16.13 ? 463 ARG A CA 1 ATOM 915 C C . ARG A 1 122 ? 10.551 -0.390 18.823 1.00 15.39 ? 463 ARG A C 1 ATOM 916 O O . ARG A 1 122 ? 9.385 -0.719 18.812 1.00 16.32 ? 463 ARG A O 1 ATOM 917 C CB . ARG A 1 122 ? 12.462 -2.071 18.792 1.00 15.85 ? 463 ARG A CB 1 ATOM 918 C CG . ARG A 1 122 ? 13.707 -2.452 19.505 1.00 16.46 ? 463 ARG A CG 1 ATOM 919 C CD . ARG A 1 122 ? 14.636 -3.260 18.689 1.00 17.09 ? 463 ARG A CD 1 ATOM 920 N NE . ARG A 1 122 ? 15.029 -2.598 17.450 1.00 19.35 ? 463 ARG A NE 1 ATOM 921 C CZ . ARG A 1 122 ? 16.103 -2.947 16.753 1.00 21.27 ? 463 ARG A CZ 1 ATOM 922 N NH1 . ARG A 1 122 ? 16.875 -3.931 17.195 1.00 22.55 ? 463 ARG A NH1 1 ATOM 923 N NH2 . ARG A 1 122 ? 16.405 -2.334 15.615 1.00 22.45 ? 463 ARG A NH2 1 ATOM 924 N N . THR A 1 123 ? 10.991 0.641 18.108 1.00 14.95 ? 464 THR A N 1 ATOM 925 C CA . THR A 1 123 ? 10.043 1.531 17.432 1.00 14.75 ? 464 THR A CA 1 ATOM 926 C C . THR A 1 123 ? 9.203 0.913 16.296 1.00 14.99 ? 464 THR A C 1 ATOM 927 O O . THR A 1 123 ? 7.968 0.852 16.385 1.00 15.56 ? 464 THR A O 1 ATOM 928 C CB . THR A 1 123 ? 10.746 2.816 16.916 1.00 14.89 ? 464 THR A CB 1 ATOM 929 O OG1 . THR A 1 123 ? 11.205 3.624 18.016 1.00 14.80 ? 464 THR A OG1 1 ATOM 930 C CG2 . THR A 1 123 ? 9.734 3.715 16.226 1.00 14.00 ? 464 THR A CG2 1 ATOM 931 N N . ALA A 1 124 ? 9.860 0.508 15.216 1.00 13.80 ? 465 ALA A N 1 ATOM 932 C CA . ALA A 1 124 ? 9.152 -0.049 14.080 1.00 13.94 ? 465 ALA A CA 1 ATOM 933 C C . ALA A 1 124 ? 8.631 -1.463 14.337 1.00 14.23 ? 465 ALA A C 1 ATOM 934 O O . ALA A 1 124 ? 7.569 -1.844 13.837 1.00 14.65 ? 465 ALA A O 1 ATOM 935 C CB . ALA A 1 124 ? 10.046 -0.019 12.834 1.00 13.07 ? 465 ALA A CB 1 ATOM 936 N N . GLY A 1 125 ? 9.365 -2.246 15.119 1.00 14.58 ? 466 GLY A N 1 ATOM 937 C CA . GLY A 1 125 ? 8.972 -3.625 15.324 1.00 15.09 ? 466 GLY A CA 1 ATOM 938 C C . GLY A 1 125 ? 7.935 -3.865 16.407 1.00 15.43 ? 466 GLY A C 1 ATOM 939 O O . GLY A 1 125 ? 7.366 -4.953 16.502 1.00 15.63 ? 466 GLY A O 1 ATOM 940 N N . TRP A 1 126 ? 7.665 -2.859 17.228 1.00 15.61 ? 467 TRP A N 1 ATOM 941 C CA . TRP A 1 126 ? 6.780 -3.110 18.350 1.00 15.50 ? 467 TRP A CA 1 ATOM 942 C C . TRP A 1 126 ? 5.865 -1.950 18.733 1.00 16.12 ? 467 TRP A C 1 ATOM 943 O O . TRP A 1 126 ? 4.637 -2.071 18.667 1.00 15.29 ? 467 TRP A O 1 ATOM 944 C CB . TRP A 1 126 ? 7.614 -3.539 19.574 1.00 15.31 ? 467 TRP A CB 1 ATOM 945 C CG . TRP A 1 126 ? 6.754 -3.969 20.673 1.00 13.73 ? 467 TRP A CG 1 ATOM 946 C CD1 . TRP A 1 126 ? 6.324 -3.206 21.712 1.00 14.04 ? 467 TRP A CD1 1 ATOM 947 C CD2 . TRP A 1 126 ? 6.133 -5.246 20.824 1.00 14.32 ? 467 TRP A CD2 1 ATOM 948 N NE1 . TRP A 1 126 ? 5.475 -3.925 22.518 1.00 13.70 ? 467 TRP A NE1 1 ATOM 949 C CE2 . TRP A 1 126 ? 5.345 -5.190 22.005 1.00 14.58 ? 467 TRP A CE2 1 ATOM 950 C CE3 . TRP A 1 126 ? 6.173 -6.449 20.095 1.00 14.72 ? 467 TRP A CE3 1 ATOM 951 C CZ2 . TRP A 1 126 ? 4.608 -6.285 22.480 1.00 14.46 ? 467 TRP A CZ2 1 ATOM 952 C CZ3 . TRP A 1 126 ? 5.433 -7.552 20.567 1.00 15.25 ? 467 TRP A CZ3 1 ATOM 953 C CH2 . TRP A 1 126 ? 4.658 -7.453 21.747 1.00 16.66 ? 467 TRP A CH2 1 ATOM 954 N N . ASN A 1 127 ? 6.485 -0.841 19.142 1.00 16.84 ? 468 ASN A N 1 ATOM 955 C CA . ASN A 1 127 ? 5.777 0.300 19.690 1.00 18.21 ? 468 ASN A CA 1 ATOM 956 C C . ASN A 1 127 ? 4.697 0.833 18.771 1.00 19.04 ? 468 ASN A C 1 ATOM 957 O O . ASN A 1 127 ? 3.560 1.008 19.198 1.00 19.96 ? 468 ASN A O 1 ATOM 958 C CB . ASN A 1 127 ? 6.755 1.412 20.082 1.00 18.88 ? 468 ASN A CB 1 ATOM 959 C CG . ASN A 1 127 ? 7.488 1.120 21.401 1.00 20.17 ? 468 ASN A CG 1 ATOM 960 O OD1 . ASN A 1 127 ? 7.067 0.263 22.181 1.00 22.11 ? 468 ASN A OD1 1 ATOM 961 N ND2 . ASN A 1 127 ? 8.572 1.838 21.651 1.00 19.86 ? 468 ASN A ND2 1 ATOM 962 N N . ILE A 1 128 ? 5.036 1.067 17.512 1.00 19.31 ? 469 ILE A N 1 ATOM 963 C CA . ILE A 1 128 ? 4.087 1.639 16.580 1.00 19.71 ? 469 ILE A CA 1 ATOM 964 C C . ILE A 1 128 ? 2.945 0.683 16.261 1.00 20.15 ? 469 ILE A C 1 ATOM 965 O O . ILE A 1 128 ? 1.790 1.011 16.496 1.00 20.26 ? 469 ILE A O 1 ATOM 966 C CB . ILE A 1 128 ? 4.806 2.105 15.272 1.00 20.01 ? 469 ILE A CB 1 ATOM 967 C CG1 . ILE A 1 128 ? 5.656 3.353 15.524 1.00 20.54 ? 469 ILE A CG1 1 ATOM 968 C CG2 . ILE A 1 128 ? 3.820 2.356 14.161 1.00 18.44 ? 469 ILE A CG2 1 ATOM 969 C CD1 . ILE A 1 128 ? 4.934 4.451 16.205 1.00 21.81 ? 469 ILE A CD1 1 ATOM 970 N N . PRO A 1 129 ? 3.258 -0.500 15.741 1.00 20.77 ? 470 PRO A N 1 ATOM 971 C CA . PRO A 1 129 ? 2.210 -1.437 15.301 1.00 20.95 ? 470 PRO A CA 1 ATOM 972 C C . PRO A 1 129 ? 1.401 -2.000 16.459 1.00 21.03 ? 470 PRO A C 1 ATOM 973 O O . PRO A 1 129 ? 0.209 -2.201 16.313 1.00 20.75 ? 470 PRO A O 1 ATOM 974 C CB . PRO A 1 129 ? 2.996 -2.530 14.586 1.00 20.77 ? 470 PRO A CB 1 ATOM 975 C CG . PRO A 1 129 ? 4.329 -2.512 15.308 1.00 21.93 ? 470 PRO A CG 1 ATOM 976 C CD . PRO A 1 129 ? 4.618 -1.037 15.520 1.00 20.77 ? 470 PRO A CD 1 ATOM 977 N N . MET A 1 130 ? 2.021 -2.231 17.602 1.00 21.97 ? 471 MET A N 1 ATOM 978 C CA . MET A 1 130 ? 1.247 -2.701 18.748 1.00 23.35 ? 471 MET A CA 1 ATOM 979 C C . MET A 1 130 ? 0.356 -1.597 19.315 1.00 23.72 ? 471 MET A C 1 ATOM 980 O O . MET A 1 130 ? -0.767 -1.860 19.726 1.00 23.89 ? 471 MET A O 1 ATOM 981 C CB . MET A 1 130 ? 2.146 -3.295 19.827 1.00 23.40 ? 471 MET A CB 1 ATOM 982 C CG . MET A 1 130 ? 2.755 -4.600 19.399 1.00 25.40 ? 471 MET A CG 1 ATOM 983 S SD . MET A 1 130 ? 1.496 -5.790 18.904 1.00 28.17 ? 471 MET A SD 1 ATOM 984 C CE . MET A 1 130 ? 2.279 -6.428 17.603 1.00 29.22 ? 471 MET A CE 1 ATOM 985 N N . GLY A 1 131 ? 0.850 -0.363 19.318 1.00 24.06 ? 472 GLY A N 1 ATOM 986 C CA . GLY A 1 131 ? 0.059 0.760 19.781 1.00 25.06 ? 472 GLY A CA 1 ATOM 987 C C . GLY A 1 131 ? -1.159 0.939 18.888 1.00 26.05 ? 472 GLY A C 1 ATOM 988 O O . GLY A 1 131 ? -2.295 1.117 19.358 1.00 26.22 ? 472 GLY A O 1 ATOM 989 N N . LEU A 1 132 ? -0.935 0.875 17.580 1.00 26.19 ? 473 LEU A N 1 ATOM 990 C CA . LEU A 1 132 ? -2.056 0.953 16.659 1.00 26.62 ? 473 LEU A CA 1 ATOM 991 C C . LEU A 1 132 ? -3.044 -0.200 16.915 1.00 27.01 ? 473 LEU A C 1 ATOM 992 O O . LEU A 1 132 ? -4.256 -0.015 16.833 1.00 26.75 ? 473 LEU A O 1 ATOM 993 C CB . LEU A 1 132 ? -1.576 0.929 15.206 1.00 25.94 ? 473 LEU A CB 1 ATOM 994 C CG . LEU A 1 132 ? -0.675 2.079 14.735 1.00 25.80 ? 473 LEU A CG 1 ATOM 995 C CD1 . LEU A 1 132 ? 0.117 1.699 13.472 1.00 21.35 ? 473 LEU A CD1 1 ATOM 996 C CD2 . LEU A 1 132 ? -1.480 3.358 14.516 1.00 24.37 ? 473 LEU A CD2 1 ATOM 997 N N . ILE A 1 133 ? -2.528 -1.378 17.246 1.00 27.51 ? 474 ILE A N 1 ATOM 998 C CA . ILE A 1 133 ? -3.398 -2.538 17.398 1.00 28.32 ? 474 ILE A CA 1 ATOM 999 C C . ILE A 1 133 ? -4.156 -2.468 18.702 1.00 29.73 ? 474 ILE A C 1 ATOM 1000 O O . ILE A 1 133 ? -5.302 -2.875 18.791 1.00 30.17 ? 474 ILE A O 1 ATOM 1001 C CB . ILE A 1 133 ? -2.600 -3.844 17.275 1.00 28.03 ? 474 ILE A CB 1 ATOM 1002 C CG1 . ILE A 1 133 ? -2.356 -4.155 15.808 1.00 26.82 ? 474 ILE A CG1 1 ATOM 1003 C CG2 . ILE A 1 133 ? -3.325 -5.006 17.951 1.00 27.60 ? 474 ILE A CG2 1 ATOM 1004 C CD1 . ILE A 1 133 ? -1.211 -5.103 15.572 1.00 26.73 ? 474 ILE A CD1 1 ATOM 1005 N N . VAL A 1 134 ? -3.516 -1.929 19.719 1.00 31.61 ? 475 VAL A N 1 ATOM 1006 C CA . VAL A 1 134 ? -4.183 -1.749 20.988 1.00 33.21 ? 475 VAL A CA 1 ATOM 1007 C C . VAL A 1 134 ? -5.312 -0.733 20.781 1.00 34.53 ? 475 VAL A C 1 ATOM 1008 O O . VAL A 1 134 ? -6.451 -0.971 21.183 1.00 34.82 ? 475 VAL A O 1 ATOM 1009 C CB . VAL A 1 134 ? -3.174 -1.310 22.069 1.00 33.32 ? 475 VAL A CB 1 ATOM 1010 C CG1 . VAL A 1 134 ? -3.826 -0.454 23.144 1.00 33.11 ? 475 VAL A CG1 1 ATOM 1011 C CG2 . VAL A 1 134 ? -2.482 -2.533 22.668 1.00 33.41 ? 475 VAL A CG2 1 ATOM 1012 N N . ASN A 1 135 ? -5.014 0.372 20.104 1.00 35.86 ? 476 ASN A N 1 ATOM 1013 C CA . ASN A 1 135 ? -6.021 1.414 19.917 1.00 37.29 ? 476 ASN A CA 1 ATOM 1014 C C . ASN A 1 135 ? -7.306 0.954 19.220 1.00 38.09 ? 476 ASN A C 1 ATOM 1015 O O . ASN A 1 135 ? -8.397 1.090 19.780 1.00 38.38 ? 476 ASN A O 1 ATOM 1016 C CB . ASN A 1 135 ? -5.440 2.634 19.198 1.00 37.49 ? 476 ASN A CB 1 ATOM 1017 C CG . ASN A 1 135 ? -4.649 3.546 20.128 1.00 38.12 ? 476 ASN A CG 1 ATOM 1018 O OD1 . ASN A 1 135 ? -4.531 3.292 21.317 1.00 37.11 ? 476 ASN A OD1 1 ATOM 1019 N ND2 . ASN A 1 135 ? -4.104 4.615 19.576 1.00 41.17 ? 476 ASN A ND2 1 ATOM 1020 N N . GLN A 1 136 ? -7.192 0.402 18.016 1.00 38.68 ? 477 GLN A N 1 ATOM 1021 C CA . GLN A 1 136 ? -8.398 0.010 17.281 1.00 39.29 ? 477 GLN A CA 1 ATOM 1022 C C . GLN A 1 136 ? -9.095 -1.253 17.771 1.00 39.36 ? 477 GLN A C 1 ATOM 1023 O O . GLN A 1 136 ? -10.147 -1.612 17.264 1.00 39.81 ? 477 GLN A O 1 ATOM 1024 C CB . GLN A 1 136 ? -8.130 -0.077 15.776 1.00 39.43 ? 477 GLN A CB 1 ATOM 1025 C CG . GLN A 1 136 ? -6.665 -0.188 15.426 1.00 40.45 ? 477 GLN A CG 1 ATOM 1026 C CD . GLN A 1 136 ? -6.413 -0.359 13.941 1.00 40.51 ? 477 GLN A CD 1 ATOM 1027 O OE1 . GLN A 1 136 ? -6.216 -1.474 13.479 1.00 42.00 ? 477 GLN A OE1 1 ATOM 1028 N NE2 . GLN A 1 136 ? -6.403 0.741 13.197 1.00 40.14 ? 477 GLN A NE2 1 ATOM 1029 N N . THR A 1 137 ? -8.537 -1.913 18.770 1.00 39.75 ? 478 THR A N 1 ATOM 1030 C CA . THR A 1 137 ? -9.134 -3.142 19.261 1.00 40.08 ? 478 THR A CA 1 ATOM 1031 C C . THR A 1 137 ? -9.739 -2.915 20.646 1.00 40.47 ? 478 THR A C 1 ATOM 1032 O O . THR A 1 137 ? -10.497 -3.742 21.167 1.00 40.35 ? 478 THR A O 1 ATOM 1033 C CB . THR A 1 137 ? -8.048 -4.217 19.321 1.00 40.12 ? 478 THR A CB 1 ATOM 1034 O OG1 . THR A 1 137 ? -8.467 -5.385 18.611 1.00 40.70 ? 478 THR A OG1 1 ATOM 1035 C CG2 . THR A 1 137 ? -7.838 -4.699 20.728 1.00 40.11 ? 478 THR A CG2 1 ATOM 1036 N N . GLY A 1 138 ? -9.400 -1.778 21.241 1.00 40.89 ? 479 GLY A N 1 ATOM 1037 C CA . GLY A 1 138 ? -9.824 -1.481 22.596 1.00 41.29 ? 479 GLY A CA 1 ATOM 1038 C C . GLY A 1 138 ? -9.117 -2.323 23.645 1.00 41.42 ? 479 GLY A C 1 ATOM 1039 O O . GLY A 1 138 ? -9.157 -1.998 24.821 1.00 41.78 ? 479 GLY A O 1 ATOM 1040 N N . SER A 1 139 ? -8.443 -3.390 23.229 1.00 41.80 ? 480 SER A N 1 ATOM 1041 C CA . SER A 1 139 ? -7.821 -4.315 24.209 1.00 41.99 ? 480 SER A CA 1 ATOM 1042 C C . SER A 1 139 ? -6.305 -4.202 24.407 1.00 42.07 ? 480 SER A C 1 ATOM 1043 O O . SER A 1 139 ? -5.562 -4.021 23.451 1.00 42.05 ? 480 SER A O 1 ATOM 1044 C CB . SER A 1 139 ? -8.177 -5.755 23.818 1.00 41.91 ? 480 SER A CB 1 ATOM 1045 O OG . SER A 1 139 ? -7.410 -6.688 24.566 1.00 42.80 ? 480 SER A OG 1 ATOM 1046 N N . CYS A 1 140 ? -5.885 -4.301 25.665 1.00 42.02 ? 481 CYS A N 1 ATOM 1047 C CA . CYS A 1 140 ? -4.521 -4.284 26.129 1.00 42.07 ? 481 CYS A CA 1 ATOM 1048 C C . CYS A 1 140 ? -3.959 -5.685 26.005 1.00 41.71 ? 481 CYS A C 1 ATOM 1049 O O . CYS A 1 140 ? -2.826 -5.944 26.424 1.00 41.49 ? 481 CYS A O 1 ATOM 1050 C CB . CYS A 1 140 ? -4.440 -3.865 27.616 1.00 42.56 ? 481 CYS A CB 1 ATOM 1051 S SG . CYS A 1 140 ? -3.752 -2.204 27.891 1.00 43.99 ? 481 CYS A SG 1 ATOM 1052 N N . ALA A 1 141 ? -4.754 -6.575 25.410 1.00 41.51 ? 482 ALA A N 1 ATOM 1053 C CA . ALA A 1 141 ? -4.335 -7.989 25.340 1.00 41.61 ? 482 ALA A CA 1 ATOM 1054 C C . ALA A 1 141 ? -3.425 -8.398 24.144 1.00 41.44 ? 482 ALA A C 1 ATOM 1055 O O . ALA A 1 141 ? -3.493 -9.563 23.718 1.00 42.37 ? 482 ALA A O 1 ATOM 1056 C CB . ALA A 1 141 ? -5.568 -8.875 25.363 1.00 42.05 ? 482 ALA A CB 1 ATOM 1057 N N . PHE A 1 142 ? -2.561 -7.513 23.580 1.00 40.49 ? 483 PHE A N 1 ATOM 1058 C CA . PHE A 1 142 ? -1.692 -7.762 22.385 1.00 39.57 ? 483 PHE A CA 1 ATOM 1059 C C . PHE A 1 142 ? -0.925 -9.148 22.249 1.00 38.76 ? 483 PHE A C 1 ATOM 1060 O O . PHE A 1 142 ? -0.350 -9.407 21.191 1.00 38.70 ? 483 PHE A O 1 ATOM 1061 C CB . PHE A 1 142 ? -0.701 -6.593 22.283 1.00 39.53 ? 483 PHE A CB 1 ATOM 1062 C CG . PHE A 1 142 ? 0.176 -6.454 23.485 1.00 38.44 ? 483 PHE A CG 1 ATOM 1063 C CD1 . PHE A 1 142 ? 0.077 -5.343 24.293 1.00 37.70 ? 483 PHE A CD1 1 ATOM 1064 C CD2 . PHE A 1 142 ? 1.108 -7.421 23.793 1.00 38.22 ? 483 PHE A CD2 1 ATOM 1065 C CE1 . PHE A 1 142 ? 0.883 -5.198 25.390 1.00 38.54 ? 483 PHE A CE1 1 ATOM 1066 C CE2 . PHE A 1 142 ? 1.914 -7.293 24.898 1.00 38.38 ? 483 PHE A CE2 1 ATOM 1067 C CZ . PHE A 1 142 ? 1.803 -6.179 25.702 1.00 38.57 ? 483 PHE A CZ 1 ATOM 1068 N N . ASP A 1 143 ? -0.924 -10.009 23.285 1.00 37.86 ? 484 ASP A N 1 ATOM 1069 C CA . ASP A 1 143 ? -0.321 -11.322 23.198 1.00 37.28 ? 484 ASP A CA 1 ATOM 1070 C C . ASP A 1 143 ? -1.332 -12.264 22.572 1.00 36.77 ? 484 ASP A C 1 ATOM 1071 O O . ASP A 1 143 ? -1.037 -13.429 22.264 1.00 36.96 ? 484 ASP A O 1 ATOM 1072 C CB . ASP A 1 143 ? 0.057 -11.866 24.580 1.00 37.90 ? 484 ASP A CB 1 ATOM 1073 C CG . ASP A 1 143 ? -1.024 -11.748 25.672 1.00 38.76 ? 484 ASP A CG 1 ATOM 1074 O OD1 . ASP A 1 143 ? -1.585 -10.624 25.810 1.00 39.29 ? 484 ASP A OD1 1 ATOM 1075 O OD2 . ASP A 1 143 ? -1.289 -12.741 26.367 1.00 40.99 ? 484 ASP A OD2 1 ATOM 1076 N N . GLU A 1 144 ? -2.558 -11.754 22.395 1.00 35.56 ? 485 GLU A N 1 ATOM 1077 C CA . GLU A 1 144 ? -3.587 -12.646 21.884 1.00 34.66 ? 485 GLU A CA 1 ATOM 1078 C C . GLU A 1 144 ? -4.089 -12.274 20.483 1.00 33.32 ? 485 GLU A C 1 ATOM 1079 O O . GLU A 1 144 ? -4.984 -12.926 19.940 1.00 33.30 ? 485 GLU A O 1 ATOM 1080 C CB . GLU A 1 144 ? -4.762 -12.711 22.883 1.00 35.21 ? 485 GLU A CB 1 ATOM 1081 C CG . GLU A 1 144 ? -4.736 -13.923 23.812 1.00 38.17 ? 485 GLU A CG 1 ATOM 1082 C CD . GLU A 1 144 ? -5.387 -13.669 25.168 1.00 42.86 ? 485 GLU A CD 1 ATOM 1083 O OE1 . GLU A 1 144 ? -4.934 -14.277 26.166 1.00 43.35 ? 485 GLU A OE1 1 ATOM 1084 O OE2 . GLU A 1 144 ? -6.340 -12.855 25.247 1.00 44.89 ? 485 GLU A OE2 1 ATOM 1085 N N . PHE A 1 145 ? -3.503 -11.240 19.890 1.00 31.63 ? 486 PHE A N 1 ATOM 1086 C CA . PHE A 1 145 ? -3.909 -10.793 18.563 1.00 30.04 ? 486 PHE A CA 1 ATOM 1087 C C . PHE A 1 145 ? -3.332 -11.656 17.436 1.00 29.36 ? 486 PHE A C 1 ATOM 1088 O O . PHE A 1 145 ? -4.039 -11.995 16.472 1.00 29.54 ? 486 PHE A O 1 ATOM 1089 C CB . PHE A 1 145 ? -3.504 -9.343 18.363 1.00 29.84 ? 486 PHE A CB 1 ATOM 1090 C CG . PHE A 1 145 ? -4.110 -8.700 17.143 1.00 29.19 ? 486 PHE A CG 1 ATOM 1091 C CD1 . PHE A 1 145 ? -5.438 -8.272 17.151 1.00 27.39 ? 486 PHE A CD1 1 ATOM 1092 C CD2 . PHE A 1 145 ? -3.342 -8.493 16.003 1.00 26.63 ? 486 PHE A CD2 1 ATOM 1093 C CE1 . PHE A 1 145 ? -5.989 -7.662 16.040 1.00 27.18 ? 486 PHE A CE1 1 ATOM 1094 C CE2 . PHE A 1 145 ? -3.880 -7.877 14.899 1.00 26.14 ? 486 PHE A CE2 1 ATOM 1095 C CZ . PHE A 1 145 ? -5.217 -7.462 14.912 1.00 27.09 ? 486 PHE A CZ 1 ATOM 1096 N N . PHE A 1 146 ? -2.056 -12.008 17.542 1.00 28.05 ? 487 PHE A N 1 ATOM 1097 C CA . PHE A 1 146 ? -1.417 -12.851 16.526 1.00 26.77 ? 487 PHE A CA 1 ATOM 1098 C C . PHE A 1 146 ? -1.426 -14.274 17.035 1.00 26.27 ? 487 PHE A C 1 ATOM 1099 O O . PHE A 1 146 ? -1.328 -14.474 18.229 1.00 26.31 ? 487 PHE A O 1 ATOM 1100 C CB . PHE A 1 146 ? 0.012 -12.391 16.251 1.00 26.02 ? 487 PHE A CB 1 ATOM 1101 C CG . PHE A 1 146 ? 0.091 -11.067 15.567 1.00 24.80 ? 487 PHE A CG 1 ATOM 1102 C CD1 . PHE A 1 146 ? -0.357 -10.913 14.266 1.00 23.66 ? 487 PHE A CD1 1 ATOM 1103 C CD2 . PHE A 1 146 ? 0.620 -9.972 16.217 1.00 25.10 ? 487 PHE A CD2 1 ATOM 1104 C CE1 . PHE A 1 146 ? -0.291 -9.682 13.625 1.00 21.84 ? 487 PHE A CE1 1 ATOM 1105 C CE2 . PHE A 1 146 ? 0.692 -8.744 15.588 1.00 23.95 ? 487 PHE A CE2 1 ATOM 1106 C CZ . PHE A 1 146 ? 0.230 -8.603 14.283 1.00 22.94 ? 487 PHE A CZ 1 ATOM 1107 N N . SER A 1 147 ? -1.553 -15.255 16.144 1.00 25.68 ? 488 SER A N 1 ATOM 1108 C CA . SER A 1 147 ? -1.580 -16.645 16.564 1.00 25.36 ? 488 SER A CA 1 ATOM 1109 C C . SER A 1 147 ? -0.219 -17.026 17.146 1.00 25.17 ? 488 SER A C 1 ATOM 1110 O O . SER A 1 147 ? -0.140 -17.635 18.212 1.00 24.84 ? 488 SER A O 1 ATOM 1111 C CB . SER A 1 147 ? -1.958 -17.574 15.413 1.00 25.04 ? 488 SER A CB 1 ATOM 1112 O OG . SER A 1 147 ? -0.954 -17.567 14.409 1.00 26.89 ? 488 SER A OG 1 ATOM 1113 N N . GLN A 1 148 ? 0.844 -16.641 16.439 1.00 24.67 ? 489 GLN A N 1 ATOM 1114 C CA . GLN A 1 148 ? 2.222 -16.898 16.865 1.00 24.16 ? 489 GLN A CA 1 ATOM 1115 C C . GLN A 1 148 ? 3.086 -15.757 16.355 1.00 23.05 ? 489 GLN A C 1 ATOM 1116 O O . GLN A 1 148 ? 2.707 -15.065 15.422 1.00 23.19 ? 489 GLN A O 1 ATOM 1117 C CB . GLN A 1 148 ? 2.753 -18.208 16.291 1.00 24.19 ? 489 GLN A CB 1 ATOM 1118 C CG . GLN A 1 148 ? 2.097 -19.451 16.835 1.00 26.20 ? 489 GLN A CG 1 ATOM 1119 C CD . GLN A 1 148 ? 2.643 -20.697 16.183 1.00 28.39 ? 489 GLN A CD 1 ATOM 1120 O OE1 . GLN A 1 148 ? 2.999 -21.654 16.866 1.00 28.96 ? 489 GLN A OE1 1 ATOM 1121 N NE2 . GLN A 1 148 ? 2.727 -20.686 14.854 1.00 29.84 ? 489 GLN A NE2 1 ATOM 1122 N N . SER A 1 149 ? 4.240 -15.565 16.973 1.00 21.66 ? 490 SER A N 1 ATOM 1123 C CA . SER A 1 149 ? 5.143 -14.520 16.553 1.00 20.66 ? 490 SER A CA 1 ATOM 1124 C C . SER A 1 149 ? 6.568 -14.821 16.969 1.00 19.90 ? 490 SER A C 1 ATOM 1125 O O . SER A 1 149 ? 6.825 -15.739 17.744 1.00 19.92 ? 490 SER A O 1 ATOM 1126 C CB . SER A 1 149 ? 4.756 -13.198 17.216 1.00 20.87 ? 490 SER A CB 1 ATOM 1127 O OG . SER A 1 149 ? 3.350 -13.037 17.315 1.00 20.78 ? 490 SER A OG 1 ATOM 1128 N N . CYS A 1 150 ? 7.503 -14.063 16.413 1.00 18.39 ? 491 CYS A N 1 ATOM 1129 C CA . CYS A 1 150 ? 8.819 -14.032 16.996 1.00 17.22 ? 491 CYS A CA 1 ATOM 1130 C C . CYS A 1 150 ? 8.936 -12.589 17.494 1.00 16.59 ? 491 CYS A C 1 ATOM 1131 O O . CYS A 1 150 ? 9.015 -11.656 16.689 1.00 16.60 ? 491 CYS A O 1 ATOM 1132 C CB . CYS A 1 150 ? 9.938 -14.369 16.014 1.00 17.21 ? 491 CYS A CB 1 ATOM 1133 S SG . CYS A 1 150 ? 11.575 -14.144 16.792 1.00 18.40 ? 491 CYS A SG 1 ATOM 1134 N N . ALA A 1 151 ? 8.866 -12.403 18.807 1.00 15.50 ? 492 ALA A N 1 ATOM 1135 C CA . ALA A 1 151 ? 9.072 -11.080 19.406 1.00 15.42 ? 492 ALA A CA 1 ATOM 1136 C C . ALA A 1 151 ? 10.159 -11.127 20.504 1.00 14.86 ? 492 ALA A C 1 ATOM 1137 O O . ALA A 1 151 ? 9.864 -11.290 21.674 1.00 14.96 ? 492 ALA A O 1 ATOM 1138 C CB . ALA A 1 151 ? 7.778 -10.512 19.948 1.00 14.30 ? 492 ALA A CB 1 ATOM 1139 N N . PRO A 1 152 ? 11.413 -11.062 20.099 1.00 14.85 ? 493 PRO A N 1 ATOM 1140 C CA . PRO A 1 152 ? 12.542 -11.007 21.034 1.00 15.60 ? 493 PRO A CA 1 ATOM 1141 C C . PRO A 1 152 ? 12.342 -10.110 22.253 1.00 16.17 ? 493 PRO A C 1 ATOM 1142 O O . PRO A 1 152 ? 11.966 -8.937 22.144 1.00 15.79 ? 493 PRO A O 1 ATOM 1143 C CB . PRO A 1 152 ? 13.682 -10.514 20.152 1.00 15.62 ? 493 PRO A CB 1 ATOM 1144 C CG . PRO A 1 152 ? 13.377 -11.208 18.820 1.00 14.87 ? 493 PRO A CG 1 ATOM 1145 C CD . PRO A 1 152 ? 11.869 -11.163 18.705 1.00 15.26 ? 493 PRO A CD 1 ATOM 1146 N N . GLY A 1 153 ? 12.599 -10.702 23.419 1.00 16.65 ? 494 GLY A N 1 ATOM 1147 C CA . GLY A 1 153 ? 12.469 -10.004 24.679 1.00 17.14 ? 494 GLY A CA 1 ATOM 1148 C C . GLY A 1 153 ? 11.179 -10.380 25.394 1.00 17.75 ? 494 GLY A C 1 ATOM 1149 O O . GLY A 1 153 ? 10.957 -9.984 26.525 1.00 17.76 ? 494 GLY A O 1 ATOM 1150 N N . ALA A 1 154 ? 10.309 -11.116 24.720 1.00 18.45 ? 495 ALA A N 1 ATOM 1151 C CA . ALA A 1 154 ? 9.081 -11.597 25.347 1.00 19.26 ? 495 ALA A CA 1 ATOM 1152 C C . ALA A 1 154 ? 9.352 -12.947 26.030 1.00 19.81 ? 495 ALA A C 1 ATOM 1153 O O . ALA A 1 154 ? 10.400 -13.536 25.832 1.00 19.19 ? 495 ALA A O 1 ATOM 1154 C CB . ALA A 1 154 ? 7.997 -11.730 24.321 1.00 18.91 ? 495 ALA A CB 1 ATOM 1155 N N . ASP A 1 155 ? 8.410 -13.417 26.839 1.00 21.24 ? 496 ASP A N 1 ATOM 1156 C CA . ASP A 1 155 ? 8.543 -14.695 27.545 1.00 22.67 ? 496 ASP A CA 1 ATOM 1157 C C . ASP A 1 155 ? 8.786 -15.847 26.559 1.00 23.04 ? 496 ASP A C 1 ATOM 1158 O O . ASP A 1 155 ? 7.980 -16.081 25.671 1.00 23.14 ? 496 ASP A O 1 ATOM 1159 C CB . ASP A 1 155 ? 7.276 -14.948 28.366 1.00 23.17 ? 496 ASP A CB 1 ATOM 1160 C CG . ASP A 1 155 ? 7.338 -16.238 29.178 1.00 26.14 ? 496 ASP A CG 1 ATOM 1161 O OD1 . ASP A 1 155 ? 8.341 -16.975 29.075 1.00 28.06 ? 496 ASP A OD1 1 ATOM 1162 O OD2 . ASP A 1 155 ? 6.424 -16.596 29.953 1.00 30.50 ? 496 ASP A OD2 1 ATOM 1163 N N . PRO A 1 156 ? 9.949 -16.484 26.660 1.00 23.44 ? 497 PRO A N 1 ATOM 1164 C CA . PRO A 1 156 ? 10.318 -17.660 25.855 1.00 23.67 ? 497 PRO A CA 1 ATOM 1165 C C . PRO A 1 156 ? 9.267 -18.763 25.690 1.00 24.05 ? 497 PRO A C 1 ATOM 1166 O O . PRO A 1 156 ? 9.258 -19.421 24.645 1.00 23.52 ? 497 PRO A O 1 ATOM 1167 C CB . PRO A 1 156 ? 11.554 -18.183 26.568 1.00 23.58 ? 497 PRO A CB 1 ATOM 1168 C CG . PRO A 1 156 ? 12.190 -16.948 27.110 1.00 23.56 ? 497 PRO A CG 1 ATOM 1169 C CD . PRO A 1 156 ? 11.074 -16.004 27.478 1.00 23.52 ? 497 PRO A CD 1 ATOM 1170 N N . LYS A 1 157 ? 8.390 -18.951 26.666 1.00 24.53 ? 498 LYS A N 1 ATOM 1171 C CA . LYS A 1 157 ? 7.378 -19.989 26.536 1.00 25.42 ? 498 LYS A CA 1 ATOM 1172 C C . LYS A 1 157 ? 5.993 -19.489 26.114 1.00 25.31 ? 498 LYS A C 1 ATOM 1173 O O . LYS A 1 157 ? 5.035 -20.265 26.077 1.00 26.04 ? 498 LYS A O 1 ATOM 1174 C CB . LYS A 1 157 ? 7.276 -20.809 27.828 1.00 26.30 ? 498 LYS A CB 1 ATOM 1175 C CG . LYS A 1 157 ? 6.830 -20.003 29.035 1.00 28.58 ? 498 LYS A CG 1 ATOM 1176 C CD . LYS A 1 157 ? 6.615 -20.909 30.243 1.00 31.28 ? 498 LYS A CD 1 ATOM 1177 C CE . LYS A 1 157 ? 6.110 -20.074 31.420 1.00 33.86 ? 498 LYS A CE 1 ATOM 1178 N NZ . LYS A 1 157 ? 7.027 -18.928 31.788 1.00 33.88 ? 498 LYS A NZ 1 ATOM 1179 N N . SER A 1 158 ? 5.879 -18.207 25.786 1.00 24.58 ? 499 SER A N 1 ATOM 1180 C CA . SER A 1 158 ? 4.613 -17.667 25.325 1.00 23.90 ? 499 SER A CA 1 ATOM 1181 C C . SER A 1 158 ? 4.537 -17.693 23.814 1.00 23.87 ? 499 SER A C 1 ATOM 1182 O O . SER A 1 158 ? 5.537 -17.916 23.132 1.00 23.74 ? 499 SER A O 1 ATOM 1183 C CB . SER A 1 158 ? 4.459 -16.227 25.762 1.00 23.75 ? 499 SER A CB 1 ATOM 1184 O OG . SER A 1 158 ? 5.367 -15.430 25.032 1.00 23.57 ? 499 SER A OG 1 ATOM 1185 N N . ARG A 1 159 ? 3.339 -17.429 23.306 1.00 23.70 ? 500 ARG A N 1 ATOM 1186 C CA . ARG A 1 159 ? 3.073 -17.359 21.867 1.00 23.97 ? 500 ARG A CA 1 ATOM 1187 C C . ARG A 1 159 ? 3.916 -16.314 21.135 1.00 22.39 ? 500 ARG A C 1 ATOM 1188 O O . ARG A 1 159 ? 4.214 -16.470 19.948 1.00 22.28 ? 500 ARG A O 1 ATOM 1189 C CB . ARG A 1 159 ? 1.584 -17.073 21.628 1.00 24.77 ? 500 ARG A CB 1 ATOM 1190 C CG . ARG A 1 159 ? 0.655 -18.172 22.153 1.00 28.83 ? 500 ARG A CG 1 ATOM 1191 C CD . ARG A 1 159 ? -0.746 -17.685 22.519 1.00 34.97 ? 500 ARG A CD 1 ATOM 1192 N NE . ARG A 1 159 ? -1.229 -16.689 21.564 1.00 38.51 ? 500 ARG A NE 1 ATOM 1193 C CZ . ARG A 1 159 ? -2.510 -16.447 21.338 1.00 41.20 ? 500 ARG A CZ 1 ATOM 1194 N NH1 . ARG A 1 159 ? -3.435 -17.136 21.994 1.00 41.00 ? 500 ARG A NH1 1 ATOM 1195 N NH2 . ARG A 1 159 ? -2.871 -15.516 20.454 1.00 42.48 ? 500 ARG A NH2 1 ATOM 1196 N N . LEU A 1 160 ? 4.302 -15.255 21.839 1.00 20.86 ? 501 LEU A N 1 ATOM 1197 C CA . LEU A 1 160 ? 5.130 -14.205 21.241 1.00 19.57 ? 501 LEU A CA 1 ATOM 1198 C C . LEU A 1 160 ? 6.580 -14.621 20.984 1.00 18.70 ? 501 LEU A C 1 ATOM 1199 O O . LEU A 1 160 ? 7.337 -13.865 20.395 1.00 18.21 ? 501 LEU A O 1 ATOM 1200 C CB . LEU A 1 160 ? 5.105 -12.943 22.097 1.00 19.86 ? 501 LEU A CB 1 ATOM 1201 C CG . LEU A 1 160 ? 3.772 -12.182 22.175 1.00 19.96 ? 501 LEU A CG 1 ATOM 1202 C CD1 . LEU A 1 160 ? 3.742 -11.263 23.419 1.00 18.04 ? 501 LEU A CD1 1 ATOM 1203 C CD2 . LEU A 1 160 ? 3.537 -11.392 20.901 1.00 18.32 ? 501 LEU A CD2 1 ATOM 1204 N N . CYS A 1 161 ? 6.982 -15.807 21.436 1.00 18.32 ? 502 CYS A N 1 ATOM 1205 C CA . CYS A 1 161 ? 8.342 -16.295 21.176 1.00 17.70 ? 502 CYS A CA 1 ATOM 1206 C C . CYS A 1 161 ? 8.275 -17.566 20.346 1.00 18.07 ? 502 CYS A C 1 ATOM 1207 O O . CYS A 1 161 ? 9.291 -18.117 19.917 1.00 17.98 ? 502 CYS A O 1 ATOM 1208 C CB . CYS A 1 161 ? 9.090 -16.580 22.472 1.00 17.21 ? 502 CYS A CB 1 ATOM 1209 S SG . CYS A 1 161 ? 9.725 -15.137 23.320 1.00 15.61 ? 502 CYS A SG 1 ATOM 1210 N N . ALA A 1 162 ? 7.058 -18.008 20.088 1.00 18.24 ? 503 ALA A N 1 ATOM 1211 C CA . ALA A 1 162 ? 6.848 -19.278 19.405 1.00 18.77 ? 503 ALA A CA 1 ATOM 1212 C C . ALA A 1 162 ? 7.598 -19.445 18.095 1.00 18.65 ? 503 ALA A C 1 ATOM 1213 O O . ALA A 1 162 ? 7.923 -20.556 17.724 1.00 19.64 ? 503 ALA A O 1 ATOM 1214 C CB . ALA A 1 162 ? 5.314 -19.561 19.217 1.00 18.61 ? 503 ALA A CB 1 ATOM 1215 N N . LEU A 1 163 ? 7.895 -18.356 17.397 1.00 18.96 ? 504 LEU A N 1 ATOM 1216 C CA . LEU A 1 163 ? 8.513 -18.463 16.067 1.00 17.93 ? 504 LEU A CA 1 ATOM 1217 C C . LEU A 1 163 ? 10.000 -18.166 16.051 1.00 17.65 ? 504 LEU A C 1 ATOM 1218 O O . LEU A 1 163 ? 10.645 -18.275 14.999 1.00 17.13 ? 504 LEU A O 1 ATOM 1219 C CB . LEU A 1 163 ? 7.811 -17.530 15.074 1.00 17.76 ? 504 LEU A CB 1 ATOM 1220 C CG . LEU A 1 163 ? 6.317 -17.730 14.765 1.00 19.11 ? 504 LEU A CG 1 ATOM 1221 C CD1 . LEU A 1 163 ? 5.873 -16.784 13.666 1.00 19.18 ? 504 LEU A CD1 1 ATOM 1222 C CD2 . LEU A 1 163 ? 5.963 -19.160 14.374 1.00 18.84 ? 504 LEU A CD2 1 ATOM 1223 N N . CYS A 1 164 ? 10.537 -17.773 17.206 1.00 17.30 ? 505 CYS A N 1 ATOM 1224 C CA . CYS A 1 164 ? 11.954 -17.465 17.326 1.00 17.00 ? 505 CYS A CA 1 ATOM 1225 C C . CYS A 1 164 ? 12.764 -18.766 17.279 1.00 17.25 ? 505 CYS A C 1 ATOM 1226 O O . CYS A 1 164 ? 12.294 -19.799 17.719 1.00 17.04 ? 505 CYS A O 1 ATOM 1227 C CB . CYS A 1 164 ? 12.220 -16.639 18.582 1.00 16.77 ? 505 CYS A CB 1 ATOM 1228 S SG . CYS A 1 164 ? 11.373 -15.038 18.604 1.00 17.48 ? 505 CYS A SG 1 ATOM 1229 N N . ALA A 1 165 ? 13.979 -18.704 16.746 1.00 17.94 ? 506 ALA A N 1 ATOM 1230 C CA . ALA A 1 165 ? 14.775 -19.901 16.483 1.00 18.77 ? 506 ALA A CA 1 ATOM 1231 C C . ALA A 1 165 ? 16.054 -20.047 17.296 1.00 19.70 ? 506 ALA A C 1 ATOM 1232 O O . ALA A 1 165 ? 16.679 -21.109 17.275 1.00 20.84 ? 506 ALA A O 1 ATOM 1233 C CB . ALA A 1 165 ? 15.136 -19.958 14.995 1.00 18.51 ? 506 ALA A CB 1 ATOM 1234 N N . GLY A 1 166 ? 16.488 -18.994 17.973 1.00 19.71 ? 507 GLY A N 1 ATOM 1235 C CA . GLY A 1 166 ? 17.707 -19.113 18.722 1.00 20.11 ? 507 GLY A CA 1 ATOM 1236 C C . GLY A 1 166 ? 18.876 -19.100 17.770 1.00 21.38 ? 507 GLY A C 1 ATOM 1237 O O . GLY A 1 166 ? 18.744 -18.665 16.620 1.00 20.59 ? 507 GLY A O 1 ATOM 1238 N N . ASP A 1 167 ? 20.023 -19.579 18.252 1.00 22.46 ? 508 ASP A N 1 ATOM 1239 C CA . ASP A 1 167 ? 21.257 -19.574 17.483 1.00 23.92 ? 508 ASP A CA 1 ATOM 1240 C C . ASP A 1 167 ? 21.553 -20.911 16.814 1.00 25.64 ? 508 ASP A C 1 ATOM 1241 O O . ASP A 1 167 ? 20.801 -21.863 16.978 1.00 25.91 ? 508 ASP A O 1 ATOM 1242 C CB . ASP A 1 167 ? 22.417 -19.219 18.417 1.00 22.98 ? 508 ASP A CB 1 ATOM 1243 C CG . ASP A 1 167 ? 22.728 -20.321 19.427 1.00 22.35 ? 508 ASP A CG 1 ATOM 1244 O OD1 . ASP A 1 167 ? 22.233 -21.451 19.272 1.00 20.52 ? 508 ASP A OD1 1 ATOM 1245 O OD2 . ASP A 1 167 ? 23.479 -20.157 20.419 1.00 22.18 ? 508 ASP A OD2 1 ATOM 1246 N N . ASP A 1 168 ? 22.645 -20.952 16.046 1.00 28.11 ? 509 ASP A N 1 ATOM 1247 C CA . ASP A 1 168 ? 23.236 -22.188 15.506 1.00 30.38 ? 509 ASP A CA 1 ATOM 1248 C C . ASP A 1 168 ? 22.661 -23.428 16.091 1.00 30.66 ? 509 ASP A C 1 ATOM 1249 O O . ASP A 1 168 ? 22.237 -24.339 15.393 1.00 31.44 ? 509 ASP A O 1 ATOM 1250 C CB . ASP A 1 168 ? 24.660 -22.334 16.046 1.00 31.61 ? 509 ASP A CB 1 ATOM 1251 C CG . ASP A 1 168 ? 25.665 -21.487 15.333 1.00 35.17 ? 509 ASP A CG 1 ATOM 1252 O OD1 . ASP A 1 168 ? 25.467 -21.166 14.133 1.00 38.57 ? 509 ASP A OD1 1 ATOM 1253 O OD2 . ASP A 1 168 ? 26.716 -21.128 15.914 1.00 39.98 ? 509 ASP A OD2 1 ATOM 1254 N N . GLN A 1 169 ? 22.760 -23.465 17.416 1.00 30.62 ? 510 GLN A N 1 ATOM 1255 C CA . GLN A 1 169 ? 22.410 -24.622 18.206 1.00 30.69 ? 510 GLN A CA 1 ATOM 1256 C C . GLN A 1 169 ? 21.038 -24.628 18.795 1.00 29.92 ? 510 GLN A C 1 ATOM 1257 O O . GLN A 1 169 ? 20.740 -25.514 19.594 1.00 30.74 ? 510 GLN A O 1 ATOM 1258 C CB . GLN A 1 169 ? 23.324 -24.704 19.414 1.00 31.13 ? 510 GLN A CB 1 ATOM 1259 C CG . GLN A 1 169 ? 24.779 -24.952 19.151 1.00 33.97 ? 510 GLN A CG 1 ATOM 1260 C CD . GLN A 1 169 ? 25.411 -25.557 20.378 1.00 37.89 ? 510 GLN A CD 1 ATOM 1261 O OE1 . GLN A 1 169 ? 25.012 -26.652 20.803 1.00 39.10 ? 510 GLN A OE1 1 ATOM 1262 N NE2 . GLN A 1 169 ? 26.353 -24.838 20.986 1.00 38.48 ? 510 GLN A NE2 1 ATOM 1263 N N . GLY A 1 170 ? 20.207 -23.654 18.487 1.00 28.75 ? 511 GLY A N 1 ATOM 1264 C CA . GLY A 1 170 ? 18.899 -23.645 19.111 1.00 28.04 ? 511 GLY A CA 1 ATOM 1265 C C . GLY A 1 170 ? 18.891 -23.087 20.532 1.00 27.75 ? 511 GLY A C 1 ATOM 1266 O O . GLY A 1 170 ? 17.858 -23.115 21.218 1.00 28.02 ? 511 GLY A O 1 ATOM 1267 N N . LEU A 1 171 ? 20.028 -22.565 20.988 1.00 27.19 ? 512 LEU A N 1 ATOM 1268 C CA . LEU A 1 171 ? 20.093 -21.931 22.299 1.00 26.64 ? 512 LEU A CA 1 ATOM 1269 C C . LEU A 1 171 ? 19.703 -20.453 22.200 1.00 26.20 ? 512 LEU A C 1 ATOM 1270 O O . LEU A 1 171 ? 19.677 -19.893 21.116 1.00 25.90 ? 512 LEU A O 1 ATOM 1271 C CB . LEU A 1 171 ? 21.500 -22.041 22.902 1.00 26.79 ? 512 LEU A CB 1 ATOM 1272 C CG . LEU A 1 171 ? 22.108 -23.428 23.158 1.00 26.91 ? 512 LEU A CG 1 ATOM 1273 C CD1 . LEU A 1 171 ? 23.297 -23.283 24.061 1.00 26.12 ? 512 LEU A CD1 1 ATOM 1274 C CD2 . LEU A 1 171 ? 21.114 -24.389 23.765 1.00 25.67 ? 512 LEU A CD2 1 ATOM 1275 N N . ASP A 1 172 ? 19.381 -19.839 23.340 1.00 25.62 ? 513 ASP A N 1 ATOM 1276 C CA . ASP A 1 172 ? 19.102 -18.407 23.401 1.00 24.71 ? 513 ASP A CA 1 ATOM 1277 C C . ASP A 1 172 ? 17.836 -18.004 22.674 1.00 24.07 ? 513 ASP A C 1 ATOM 1278 O O . ASP A 1 172 ? 17.677 -16.856 22.239 1.00 24.09 ? 513 ASP A O 1 ATOM 1279 C CB . ASP A 1 172 ? 20.289 -17.626 22.842 1.00 25.31 ? 513 ASP A CB 1 ATOM 1280 C CG . ASP A 1 172 ? 21.361 -17.386 23.879 1.00 26.88 ? 513 ASP A CG 1 ATOM 1281 O OD1 . ASP A 1 172 ? 21.055 -17.563 25.077 1.00 28.07 ? 513 ASP A OD1 1 ATOM 1282 O OD2 . ASP A 1 172 ? 22.525 -17.007 23.602 1.00 28.02 ? 513 ASP A OD2 1 ATOM 1283 N N . LYS A 1 173 ? 16.934 -18.957 22.524 1.00 22.50 ? 514 LYS A N 1 ATOM 1284 C CA . LYS A 1 173 ? 15.681 -18.694 21.852 1.00 21.50 ? 514 LYS A CA 1 ATOM 1285 C C . LYS A 1 173 ? 15.018 -17.407 22.346 1.00 20.04 ? 514 LYS A C 1 ATOM 1286 O O . LYS A 1 173 ? 14.803 -17.239 23.539 1.00 19.91 ? 514 LYS A O 1 ATOM 1287 C CB . LYS A 1 173 ? 14.759 -19.888 22.064 1.00 21.75 ? 514 LYS A CB 1 ATOM 1288 C CG . LYS A 1 173 ? 13.459 -19.790 21.355 1.00 24.26 ? 514 LYS A CG 1 ATOM 1289 C CD . LYS A 1 173 ? 13.091 -21.155 20.839 1.00 29.50 ? 514 LYS A CD 1 ATOM 1290 C CE . LYS A 1 173 ? 14.351 -21.879 20.373 1.00 32.45 ? 514 LYS A CE 1 ATOM 1291 N NZ . LYS A 1 173 ? 14.079 -23.011 19.420 1.00 34.35 ? 514 LYS A NZ 1 ATOM 1292 N N . CYS A 1 174 ? 14.712 -16.489 21.433 1.00 18.89 ? 515 CYS A N 1 ATOM 1293 C CA . CYS A 1 174 ? 13.985 -15.254 21.788 1.00 17.18 ? 515 CYS A CA 1 ATOM 1294 C C . CYS A 1 174 ? 14.766 -14.239 22.636 1.00 16.63 ? 515 CYS A C 1 ATOM 1295 O O . CYS A 1 174 ? 14.173 -13.336 23.240 1.00 16.05 ? 515 CYS A O 1 ATOM 1296 C CB . CYS A 1 174 ? 12.680 -15.607 22.508 1.00 17.08 ? 515 CYS A CB 1 ATOM 1297 S SG . CYS A 1 174 ? 11.304 -14.480 22.227 1.00 14.63 ? 515 CYS A SG 1 ATOM 1298 N N . VAL A 1 175 ? 16.080 -14.373 22.702 1.00 16.13 ? 516 VAL A N 1 ATOM 1299 C CA . VAL A 1 175 ? 16.849 -13.334 23.378 1.00 16.56 ? 516 VAL A CA 1 ATOM 1300 C C . VAL A 1 175 ? 16.892 -12.140 22.469 1.00 16.10 ? 516 VAL A C 1 ATOM 1301 O O . VAL A 1 175 ? 16.982 -12.285 21.259 1.00 15.68 ? 516 VAL A O 1 ATOM 1302 C CB . VAL A 1 175 ? 18.292 -13.725 23.669 1.00 16.29 ? 516 VAL A CB 1 ATOM 1303 C CG1 . VAL A 1 175 ? 18.322 -14.865 24.632 1.00 17.14 ? 516 VAL A CG1 1 ATOM 1304 C CG2 . VAL A 1 175 ? 19.003 -14.067 22.383 1.00 16.45 ? 516 VAL A CG2 1 ATOM 1305 N N . PRO A 1 176 ? 16.834 -10.955 23.055 1.00 16.34 ? 517 PRO A N 1 ATOM 1306 C CA . PRO A 1 176 ? 16.844 -9.713 22.275 1.00 16.48 ? 517 PRO A CA 1 ATOM 1307 C C . PRO A 1 176 ? 18.259 -9.310 21.969 1.00 17.30 ? 517 PRO A C 1 ATOM 1308 O O . PRO A 1 176 ? 18.708 -8.289 22.488 1.00 18.51 ? 517 PRO A O 1 ATOM 1309 C CB . PRO A 1 176 ? 16.261 -8.672 23.238 1.00 16.18 ? 517 PRO A CB 1 ATOM 1310 C CG . PRO A 1 176 ? 16.184 -9.336 24.610 1.00 16.11 ? 517 PRO A CG 1 ATOM 1311 C CD . PRO A 1 176 ? 16.796 -10.714 24.504 1.00 16.12 ? 517 PRO A CD 1 ATOM 1312 N N . ASN A 1 177 ? 18.981 -10.122 21.213 1.00 17.81 ? 518 ASN A N 1 ATOM 1313 C CA . ASN A 1 177 ? 20.316 -9.757 20.760 1.00 18.36 ? 518 ASN A CA 1 ATOM 1314 C C . ASN A 1 177 ? 20.593 -10.557 19.506 1.00 18.79 ? 518 ASN A C 1 ATOM 1315 O O . ASN A 1 177 ? 19.862 -11.514 19.226 1.00 19.16 ? 518 ASN A O 1 ATOM 1316 C CB . ASN A 1 177 ? 21.391 -9.866 21.864 1.00 18.32 ? 518 ASN A CB 1 ATOM 1317 C CG . ASN A 1 177 ? 21.820 -11.297 22.189 1.00 18.99 ? 518 ASN A CG 1 ATOM 1318 O OD1 . ASN A 1 177 ? 21.994 -12.152 21.308 1.00 19.50 ? 518 ASN A OD1 1 ATOM 1319 N ND2 . ASN A 1 177 ? 22.051 -11.544 23.474 1.00 16.51 ? 518 ASN A ND2 1 ATOM 1320 N N . SER A 1 178 ? 21.602 -10.186 18.732 1.00 18.80 ? 519 SER A N 1 ATOM 1321 C CA . SER A 1 178 ? 21.781 -10.881 17.455 1.00 19.45 ? 519 SER A CA 1 ATOM 1322 C C . SER A 1 178 ? 22.030 -12.389 17.492 1.00 19.50 ? 519 SER A C 1 ATOM 1323 O O . SER A 1 178 ? 22.012 -13.012 16.457 1.00 20.40 ? 519 SER A O 1 ATOM 1324 C CB . SER A 1 178 ? 22.774 -10.182 16.535 1.00 19.28 ? 519 SER A CB 1 ATOM 1325 O OG . SER A 1 178 ? 24.060 -10.184 17.095 1.00 20.40 ? 519 SER A OG 1 ATOM 1326 N N . LYS A 1 179 ? 22.245 -12.982 18.657 1.00 19.47 ? 520 LYS A N 1 ATOM 1327 C CA . LYS A 1 179 ? 22.285 -14.445 18.733 1.00 19.82 ? 520 LYS A CA 1 ATOM 1328 C C . LYS A 1 179 ? 20.999 -15.064 18.194 1.00 19.39 ? 520 LYS A C 1 ATOM 1329 O O . LYS A 1 179 ? 21.028 -16.117 17.546 1.00 19.30 ? 520 LYS A O 1 ATOM 1330 C CB . LYS A 1 179 ? 22.447 -14.923 20.176 1.00 20.41 ? 520 LYS A CB 1 ATOM 1331 C CG . LYS A 1 179 ? 23.797 -14.671 20.734 1.00 23.03 ? 520 LYS A CG 1 ATOM 1332 C CD . LYS A 1 179 ? 24.829 -15.049 19.687 1.00 29.17 ? 520 LYS A CD 1 ATOM 1333 C CE . LYS A 1 179 ? 25.090 -16.560 19.676 1.00 33.63 ? 520 LYS A CE 1 ATOM 1334 N NZ . LYS A 1 179 ? 26.278 -16.928 18.811 1.00 37.27 ? 520 LYS A NZ 1 ATOM 1335 N N . GLU A 1 180 ? 19.865 -14.444 18.524 1.00 18.50 ? 521 GLU A N 1 ATOM 1336 C CA . GLU A 1 180 ? 18.577 -14.908 18.030 1.00 17.49 ? 521 GLU A CA 1 ATOM 1337 C C . GLU A 1 180 ? 18.508 -14.620 16.518 1.00 17.36 ? 521 GLU A C 1 ATOM 1338 O O . GLU A 1 180 ? 18.656 -13.472 16.067 1.00 17.97 ? 521 GLU A O 1 ATOM 1339 C CB . GLU A 1 180 ? 17.434 -14.262 18.812 1.00 16.82 ? 521 GLU A CB 1 ATOM 1340 C CG . GLU A 1 180 ? 16.059 -14.293 18.159 1.00 16.30 ? 521 GLU A CG 1 ATOM 1341 C CD . GLU A 1 180 ? 15.546 -15.699 17.861 1.00 16.42 ? 521 GLU A CD 1 ATOM 1342 O OE1 . GLU A 1 180 ? 15.490 -16.544 18.794 1.00 14.85 ? 521 GLU A OE1 1 ATOM 1343 O OE2 . GLU A 1 180 ? 15.189 -15.951 16.685 1.00 13.21 ? 521 GLU A OE2 1 ATOM 1344 N N . LYS A 1 181 ? 18.293 -15.679 15.752 1.00 16.35 ? 522 LYS A N 1 ATOM 1345 C CA . LYS A 1 181 ? 18.276 -15.633 14.294 1.00 16.45 ? 522 LYS A CA 1 ATOM 1346 C C . LYS A 1 181 ? 17.321 -14.595 13.697 1.00 15.38 ? 522 LYS A C 1 ATOM 1347 O O . LYS A 1 181 ? 17.633 -13.952 12.690 1.00 14.53 ? 522 LYS A O 1 ATOM 1348 C CB . LYS A 1 181 ? 17.915 -17.031 13.796 1.00 16.56 ? 522 LYS A CB 1 ATOM 1349 C CG . LYS A 1 181 ? 17.608 -17.211 12.336 1.00 19.09 ? 522 LYS A CG 1 ATOM 1350 C CD . LYS A 1 181 ? 17.362 -18.736 12.100 1.00 23.95 ? 522 LYS A CD 1 ATOM 1351 C CE . LYS A 1 181 ? 17.450 -19.147 10.634 1.00 28.08 ? 522 LYS A CE 1 ATOM 1352 N NZ . LYS A 1 181 ? 17.147 -20.621 10.412 1.00 31.43 ? 522 LYS A NZ 1 ATOM 1353 N N . TYR A 1 182 ? 16.158 -14.448 14.319 1.00 14.46 ? 523 TYR A N 1 ATOM 1354 C CA . TYR A 1 182 ? 15.167 -13.529 13.816 1.00 14.08 ? 523 TYR A CA 1 ATOM 1355 C C . TYR A 1 182 ? 15.093 -12.216 14.606 1.00 13.92 ? 523 TYR A C 1 ATOM 1356 O O . TYR A 1 182 ? 14.063 -11.553 14.605 1.00 14.43 ? 523 TYR A O 1 ATOM 1357 C CB . TYR A 1 182 ? 13.800 -14.197 13.713 1.00 13.79 ? 523 TYR A CB 1 ATOM 1358 C CG . TYR A 1 182 ? 13.766 -15.424 12.837 1.00 14.37 ? 523 TYR A CG 1 ATOM 1359 C CD1 . TYR A 1 182 ? 14.337 -15.423 11.570 1.00 16.32 ? 523 TYR A CD1 1 ATOM 1360 C CD2 . TYR A 1 182 ? 13.140 -16.591 13.267 1.00 14.22 ? 523 TYR A CD2 1 ATOM 1361 C CE1 . TYR A 1 182 ? 14.295 -16.560 10.757 1.00 15.83 ? 523 TYR A CE1 1 ATOM 1362 C CE2 . TYR A 1 182 ? 13.100 -17.728 12.469 1.00 14.32 ? 523 TYR A CE2 1 ATOM 1363 C CZ . TYR A 1 182 ? 13.679 -17.714 11.228 1.00 16.65 ? 523 TYR A CZ 1 ATOM 1364 O OH . TYR A 1 182 ? 13.631 -18.860 10.439 1.00 18.15 ? 523 TYR A OH 1 ATOM 1365 N N . TYR A 1 183 ? 16.193 -11.824 15.245 1.00 13.65 ? 524 TYR A N 1 ATOM 1366 C CA . TYR A 1 183 ? 16.266 -10.546 15.962 1.00 12.65 ? 524 TYR A CA 1 ATOM 1367 C C . TYR A 1 183 ? 16.498 -9.317 15.060 1.00 12.73 ? 524 TYR A C 1 ATOM 1368 O O . TYR A 1 183 ? 17.144 -9.434 14.023 1.00 12.59 ? 524 TYR A O 1 ATOM 1369 C CB . TYR A 1 183 ? 17.426 -10.595 16.953 1.00 12.48 ? 524 TYR A CB 1 ATOM 1370 C CG . TYR A 1 183 ? 17.661 -9.280 17.631 1.00 10.61 ? 524 TYR A CG 1 ATOM 1371 C CD1 . TYR A 1 183 ? 16.768 -8.822 18.583 1.00 10.96 ? 524 TYR A CD1 1 ATOM 1372 C CD2 . TYR A 1 183 ? 18.761 -8.486 17.312 1.00 12.24 ? 524 TYR A CD2 1 ATOM 1373 C CE1 . TYR A 1 183 ? 16.951 -7.611 19.217 1.00 14.66 ? 524 TYR A CE1 1 ATOM 1374 C CE2 . TYR A 1 183 ? 18.955 -7.250 17.942 1.00 13.00 ? 524 TYR A CE2 1 ATOM 1375 C CZ . TYR A 1 183 ? 18.036 -6.829 18.898 1.00 14.67 ? 524 TYR A CZ 1 ATOM 1376 O OH . TYR A 1 183 ? 18.161 -5.630 19.548 1.00 18.51 ? 524 TYR A OH 1 ATOM 1377 N N . GLY A 1 184 ? 16.022 -8.135 15.479 1.00 12.47 ? 525 GLY A N 1 ATOM 1378 C CA . GLY A 1 184 ? 16.306 -6.892 14.769 1.00 12.46 ? 525 GLY A CA 1 ATOM 1379 C C . GLY A 1 184 ? 15.652 -6.720 13.397 1.00 12.71 ? 525 GLY A C 1 ATOM 1380 O O . GLY A 1 184 ? 14.812 -7.536 13.016 1.00 13.01 ? 525 GLY A O 1 ATOM 1381 N N . TYR A 1 185 ? 16.012 -5.658 12.671 1.00 12.87 ? 526 TYR A N 1 ATOM 1382 C CA . TYR A 1 185 ? 15.423 -5.395 11.343 1.00 13.36 ? 526 TYR A CA 1 ATOM 1383 C C . TYR A 1 185 ? 15.671 -6.545 10.414 1.00 14.13 ? 526 TYR A C 1 ATOM 1384 O O . TYR A 1 185 ? 14.757 -7.008 9.744 1.00 14.95 ? 526 TYR A O 1 ATOM 1385 C CB . TYR A 1 185 ? 15.985 -4.123 10.666 1.00 12.33 ? 526 TYR A CB 1 ATOM 1386 C CG . TYR A 1 185 ? 15.680 -2.820 11.378 1.00 11.86 ? 526 TYR A CG 1 ATOM 1387 C CD1 . TYR A 1 185 ? 14.376 -2.350 11.506 1.00 11.87 ? 526 TYR A CD1 1 ATOM 1388 C CD2 . TYR A 1 185 ? 16.703 -2.056 11.916 1.00 10.25 ? 526 TYR A CD2 1 ATOM 1389 C CE1 . TYR A 1 185 ? 14.111 -1.146 12.181 1.00 13.55 ? 526 TYR A CE1 1 ATOM 1390 C CE2 . TYR A 1 185 ? 16.457 -0.877 12.581 1.00 9.72 ? 526 TYR A CE2 1 ATOM 1391 C CZ . TYR A 1 185 ? 15.170 -0.413 12.709 1.00 12.27 ? 526 TYR A CZ 1 ATOM 1392 O OH . TYR A 1 185 ? 14.958 0.772 13.385 1.00 12.84 ? 526 TYR A OH 1 ATOM 1393 N N . THR A 1 186 ? 16.912 -7.004 10.370 1.00 15.02 ? 527 THR A N 1 ATOM 1394 C CA . THR A 1 186 ? 17.304 -8.018 9.397 1.00 17.07 ? 527 THR A CA 1 ATOM 1395 C C . THR A 1 186 ? 16.731 -9.412 9.697 1.00 16.72 ? 527 THR A C 1 ATOM 1396 O O . THR A 1 186 ? 16.402 -10.155 8.769 1.00 16.77 ? 527 THR A O 1 ATOM 1397 C CB . THR A 1 186 ? 18.855 -8.038 9.258 1.00 17.26 ? 527 THR A CB 1 ATOM 1398 O OG1 . THR A 1 186 ? 19.271 -6.739 8.833 1.00 21.11 ? 527 THR A OG1 1 ATOM 1399 C CG2 . THR A 1 186 ? 19.295 -8.899 8.075 1.00 17.85 ? 527 THR A CG2 1 ATOM 1400 N N . GLY A 1 187 ? 16.617 -9.742 10.985 1.00 16.29 ? 528 GLY A N 1 ATOM 1401 C CA . GLY A 1 187 ? 16.059 -11.014 11.437 1.00 16.02 ? 528 GLY A CA 1 ATOM 1402 C C . GLY A 1 187 ? 14.553 -11.101 11.230 1.00 16.01 ? 528 GLY A C 1 ATOM 1403 O O . GLY A 1 187 ? 14.038 -12.128 10.774 1.00 16.11 ? 528 GLY A O 1 ATOM 1404 N N . ALA A 1 188 ? 13.839 -10.029 11.562 1.00 15.56 ? 529 ALA A N 1 ATOM 1405 C CA . ALA A 1 188 ? 12.404 -9.979 11.315 1.00 15.95 ? 529 ALA A CA 1 ATOM 1406 C C . ALA A 1 188 ? 12.113 -10.109 9.815 1.00 16.03 ? 529 ALA A C 1 ATOM 1407 O O . ALA A 1 188 ? 11.262 -10.880 9.408 1.00 16.87 ? 529 ALA A O 1 ATOM 1408 C CB . ALA A 1 188 ? 11.805 -8.690 11.863 1.00 15.26 ? 529 ALA A CB 1 ATOM 1409 N N . PHE A 1 189 ? 12.818 -9.349 8.995 1.00 15.67 ? 530 PHE A N 1 ATOM 1410 C CA . PHE A 1 189 ? 12.637 -9.467 7.574 1.00 16.61 ? 530 PHE A CA 1 ATOM 1411 C C . PHE A 1 189 ? 12.953 -10.908 7.102 1.00 16.84 ? 530 PHE A C 1 ATOM 1412 O O . PHE A 1 189 ? 12.227 -11.464 6.300 1.00 16.96 ? 530 PHE A O 1 ATOM 1413 C CB . PHE A 1 189 ? 13.450 -8.406 6.805 1.00 16.60 ? 530 PHE A CB 1 ATOM 1414 C CG . PHE A 1 189 ? 13.200 -8.430 5.338 1.00 16.96 ? 530 PHE A CG 1 ATOM 1415 C CD1 . PHE A 1 189 ? 11.934 -8.149 4.839 1.00 15.71 ? 530 PHE A CD1 1 ATOM 1416 C CD2 . PHE A 1 189 ? 14.200 -8.808 4.458 1.00 18.77 ? 530 PHE A CD2 1 ATOM 1417 C CE1 . PHE A 1 189 ? 11.673 -8.195 3.482 1.00 16.17 ? 530 PHE A CE1 1 ATOM 1418 C CE2 . PHE A 1 189 ? 13.947 -8.879 3.084 1.00 18.97 ? 530 PHE A CE2 1 ATOM 1419 C CZ . PHE A 1 189 ? 12.680 -8.572 2.599 1.00 19.08 ? 530 PHE A CZ 1 ATOM 1420 N N . ARG A 1 190 ? 14.020 -11.515 7.612 1.00 17.01 ? 531 ARG A N 1 ATOM 1421 C CA . ARG A 1 190 ? 14.330 -12.911 7.265 1.00 17.17 ? 531 ARG A CA 1 ATOM 1422 C C . ARG A 1 190 ? 13.223 -13.870 7.718 1.00 17.75 ? 531 ARG A C 1 ATOM 1423 O O . ARG A 1 190 ? 12.968 -14.900 7.079 1.00 18.04 ? 531 ARG A O 1 ATOM 1424 C CB . ARG A 1 190 ? 15.670 -13.332 7.878 1.00 17.11 ? 531 ARG A CB 1 ATOM 1425 C CG . ARG A 1 190 ? 16.066 -14.746 7.599 1.00 15.82 ? 531 ARG A CG 1 ATOM 1426 C CD . ARG A 1 190 ? 17.240 -15.241 8.436 1.00 15.93 ? 531 ARG A CD 1 ATOM 1427 N NE . ARG A 1 190 ? 17.622 -16.599 8.062 1.00 15.85 ? 531 ARG A NE 1 ATOM 1428 C CZ . ARG A 1 190 ? 18.818 -17.129 8.241 1.00 18.76 ? 531 ARG A CZ 1 ATOM 1429 N NH1 . ARG A 1 190 ? 19.781 -16.432 8.811 1.00 21.53 ? 531 ARG A NH1 1 ATOM 1430 N NH2 . ARG A 1 190 ? 19.062 -18.372 7.837 1.00 22.13 ? 531 ARG A NH2 1 ATOM 1431 N N . CYS A 1 191 ? 12.557 -13.523 8.821 1.00 18.19 ? 532 CYS A N 1 ATOM 1432 C CA . CYS A 1 191 ? 11.453 -14.319 9.380 1.00 18.21 ? 532 CYS A CA 1 ATOM 1433 C C . CYS A 1 191 ? 10.268 -14.332 8.393 1.00 18.60 ? 532 CYS A C 1 ATOM 1434 O O . CYS A 1 191 ? 9.585 -15.358 8.204 1.00 18.75 ? 532 CYS A O 1 ATOM 1435 C CB . CYS A 1 191 ? 11.092 -13.743 10.762 1.00 18.42 ? 532 CYS A CB 1 ATOM 1436 S SG . CYS A 1 191 ? 9.566 -14.234 11.593 1.00 17.54 ? 532 CYS A SG 1 ATOM 1437 N N . LEU A 1 192 ? 10.041 -13.190 7.748 1.00 18.43 ? 533 LEU A N 1 ATOM 1438 C CA . LEU A 1 192 ? 9.025 -13.107 6.722 1.00 18.38 ? 533 LEU A CA 1 ATOM 1439 C C . LEU A 1 192 ? 9.513 -13.811 5.450 1.00 18.98 ? 533 LEU A C 1 ATOM 1440 O O . LEU A 1 192 ? 8.779 -14.594 4.842 1.00 18.26 ? 533 LEU A O 1 ATOM 1441 C CB . LEU A 1 192 ? 8.705 -11.646 6.417 1.00 18.09 ? 533 LEU A CB 1 ATOM 1442 C CG . LEU A 1 192 ? 7.862 -11.378 5.164 1.00 18.00 ? 533 LEU A CG 1 ATOM 1443 C CD1 . LEU A 1 192 ? 6.399 -11.728 5.393 1.00 15.80 ? 533 LEU A CD1 1 ATOM 1444 C CD2 . LEU A 1 192 ? 8.008 -9.923 4.731 1.00 17.41 ? 533 LEU A CD2 1 ATOM 1445 N N . ALA A 1 193 ? 10.766 -13.553 5.065 1.00 19.55 ? 534 ALA A N 1 ATOM 1446 C CA . ALA A 1 193 ? 11.296 -14.095 3.816 1.00 20.63 ? 534 ALA A CA 1 ATOM 1447 C C . ALA A 1 193 ? 11.333 -15.622 3.756 1.00 21.34 ? 534 ALA A C 1 ATOM 1448 O O . ALA A 1 193 ? 11.261 -16.200 2.676 1.00 22.08 ? 534 ALA A O 1 ATOM 1449 C CB . ALA A 1 193 ? 12.670 -13.522 3.524 1.00 20.57 ? 534 ALA A CB 1 ATOM 1450 N N . GLU A 1 194 ? 11.479 -16.263 4.908 1.00 21.51 ? 535 GLU A N 1 ATOM 1451 C CA . GLU A 1 194 ? 11.508 -17.718 4.998 1.00 21.85 ? 535 GLU A CA 1 ATOM 1452 C C . GLU A 1 194 ? 10.121 -18.279 5.224 1.00 22.14 ? 535 GLU A C 1 ATOM 1453 O O . GLU A 1 194 ? 9.950 -19.479 5.356 1.00 22.26 ? 535 GLU A O 1 ATOM 1454 C CB . GLU A 1 194 ? 12.404 -18.167 6.146 1.00 21.65 ? 535 GLU A CB 1 ATOM 1455 C CG . GLU A 1 194 ? 13.874 -17.948 5.859 1.00 23.14 ? 535 GLU A CG 1 ATOM 1456 C CD . GLU A 1 194 ? 14.782 -18.409 6.980 1.00 24.55 ? 535 GLU A CD 1 ATOM 1457 O OE1 . GLU A 1 194 ? 14.320 -18.644 8.117 1.00 26.73 ? 535 GLU A OE1 1 ATOM 1458 O OE2 . GLU A 1 194 ? 15.983 -18.527 6.716 1.00 26.33 ? 535 GLU A OE2 1 ATOM 1459 N N . ASP A 1 195 ? 9.128 -17.406 5.278 1.00 22.58 ? 536 ASP A N 1 ATOM 1460 C CA . ASP A 1 195 ? 7.757 -17.851 5.433 1.00 23.09 ? 536 ASP A CA 1 ATOM 1461 C C . ASP A 1 195 ? 7.550 -18.453 6.797 1.00 22.58 ? 536 ASP A C 1 ATOM 1462 O O . ASP A 1 195 ? 6.666 -19.248 7.017 1.00 23.26 ? 536 ASP A O 1 ATOM 1463 C CB . ASP A 1 195 ? 7.344 -18.801 4.283 1.00 23.79 ? 536 ASP A CB 1 ATOM 1464 C CG . ASP A 1 195 ? 7.078 -18.037 2.976 1.00 24.86 ? 536 ASP A CG 1 ATOM 1465 O OD1 . ASP A 1 195 ? 6.334 -17.045 3.026 1.00 25.70 ? 536 ASP A OD1 1 ATOM 1466 O OD2 . ASP A 1 195 ? 7.589 -18.300 1.870 1.00 28.17 ? 536 ASP A OD2 1 ATOM 1467 N N . VAL A 1 196 ? 8.387 -18.064 7.738 1.00 22.33 ? 537 VAL A N 1 ATOM 1468 C CA . VAL A 1 196 ? 8.133 -18.457 9.103 1.00 21.11 ? 537 VAL A CA 1 ATOM 1469 C C . VAL A 1 196 ? 6.934 -17.607 9.553 1.00 20.41 ? 537 VAL A C 1 ATOM 1470 O O . VAL A 1 196 ? 6.017 -18.099 10.200 1.00 19.57 ? 537 VAL A O 1 ATOM 1471 C CB . VAL A 1 196 ? 9.366 -18.208 9.962 1.00 21.85 ? 537 VAL A CB 1 ATOM 1472 C CG1 . VAL A 1 196 ? 9.013 -18.224 11.472 1.00 20.62 ? 537 VAL A CG1 1 ATOM 1473 C CG2 . VAL A 1 196 ? 10.479 -19.214 9.590 1.00 21.63 ? 537 VAL A CG2 1 ATOM 1474 N N . GLY A 1 197 ? 6.919 -16.334 9.172 1.00 19.61 ? 538 GLY A N 1 ATOM 1475 C CA . GLY A 1 197 ? 5.789 -15.483 9.524 1.00 19.22 ? 538 GLY A CA 1 ATOM 1476 C C . GLY A 1 197 ? 5.035 -14.905 8.336 1.00 18.62 ? 538 GLY A C 1 ATOM 1477 O O . GLY A 1 197 ? 5.512 -14.980 7.208 1.00 18.58 ? 538 GLY A O 1 ATOM 1478 N N . ASP A 1 198 ? 3.873 -14.304 8.601 1.00 18.38 ? 539 ASP A N 1 ATOM 1479 C CA . ASP A 1 198 ? 3.019 -13.724 7.572 1.00 17.83 ? 539 ASP A CA 1 ATOM 1480 C C . ASP A 1 198 ? 3.293 -12.239 7.337 1.00 18.28 ? 539 ASP A C 1 ATOM 1481 O O . ASP A 1 198 ? 3.065 -11.708 6.240 1.00 17.70 ? 539 ASP A O 1 ATOM 1482 C CB . ASP A 1 198 ? 1.572 -13.837 8.003 1.00 18.43 ? 539 ASP A CB 1 ATOM 1483 C CG . ASP A 1 198 ? 1.056 -15.265 7.971 1.00 18.91 ? 539 ASP A CG 1 ATOM 1484 O OD1 . ASP A 1 198 ? 1.343 -15.977 6.984 1.00 19.98 ? 539 ASP A OD1 1 ATOM 1485 O OD2 . ASP A 1 198 ? 0.338 -15.747 8.876 1.00 18.61 ? 539 ASP A OD2 1 ATOM 1486 N N . VAL A 1 199 ? 3.764 -11.561 8.382 1.00 17.85 ? 540 VAL A N 1 ATOM 1487 C CA . VAL A 1 199 ? 4.034 -10.138 8.308 1.00 17.29 ? 540 VAL A CA 1 ATOM 1488 C C . VAL A 1 199 ? 5.232 -9.790 9.175 1.00 17.45 ? 540 VAL A C 1 ATOM 1489 O O . VAL A 1 199 ? 5.526 -10.449 10.181 1.00 18.63 ? 540 VAL A O 1 ATOM 1490 C CB . VAL A 1 199 ? 2.785 -9.309 8.743 1.00 17.41 ? 540 VAL A CB 1 ATOM 1491 C CG1 . VAL A 1 199 ? 2.352 -9.670 10.159 1.00 16.80 ? 540 VAL A CG1 1 ATOM 1492 C CG2 . VAL A 1 199 ? 3.034 -7.815 8.603 1.00 15.53 ? 540 VAL A CG2 1 ATOM 1493 N N . ALA A 1 200 ? 5.940 -8.754 8.779 1.00 16.63 ? 541 ALA A N 1 ATOM 1494 C CA . ALA A 1 200 ? 7.088 -8.321 9.526 1.00 16.02 ? 541 ALA A CA 1 ATOM 1495 C C . ALA A 1 200 ? 6.937 -6.820 9.703 1.00 15.87 ? 541 ALA A C 1 ATOM 1496 O O . ALA A 1 200 ? 6.470 -6.116 8.799 1.00 15.06 ? 541 ALA A O 1 ATOM 1497 C CB . ALA A 1 200 ? 8.395 -8.664 8.786 1.00 15.70 ? 541 ALA A CB 1 ATOM 1498 N N . PHE A 1 201 ? 7.299 -6.349 10.894 1.00 15.40 ? 542 PHE A N 1 ATOM 1499 C CA . PHE A 1 201 ? 7.264 -4.945 11.192 1.00 14.81 ? 542 PHE A CA 1 ATOM 1500 C C . PHE A 1 201 ? 8.707 -4.468 11.268 1.00 14.68 ? 542 PHE A C 1 ATOM 1501 O O . PHE A 1 201 ? 9.387 -4.679 12.252 1.00 14.82 ? 542 PHE A O 1 ATOM 1502 C CB . PHE A 1 201 ? 6.508 -4.743 12.487 1.00 14.80 ? 542 PHE A CB 1 ATOM 1503 C CG . PHE A 1 201 ? 5.079 -5.230 12.430 1.00 14.44 ? 542 PHE A CG 1 ATOM 1504 C CD1 . PHE A 1 201 ? 4.085 -4.457 11.825 1.00 12.50 ? 542 PHE A CD1 1 ATOM 1505 C CD2 . PHE A 1 201 ? 4.731 -6.451 12.976 1.00 13.72 ? 542 PHE A CD2 1 ATOM 1506 C CE1 . PHE A 1 201 ? 2.782 -4.882 11.777 1.00 11.11 ? 542 PHE A CE1 1 ATOM 1507 C CE2 . PHE A 1 201 ? 3.409 -6.891 12.936 1.00 15.47 ? 542 PHE A CE2 1 ATOM 1508 C CZ . PHE A 1 201 ? 2.433 -6.105 12.330 1.00 13.70 ? 542 PHE A CZ 1 ATOM 1509 N N . VAL A 1 202 ? 9.168 -3.856 10.190 1.00 14.66 ? 543 VAL A N 1 ATOM 1510 C CA . VAL A 1 202 ? 10.532 -3.385 10.065 1.00 15.32 ? 543 VAL A CA 1 ATOM 1511 C C . VAL A 1 202 ? 10.455 -2.037 9.377 1.00 16.51 ? 543 VAL A C 1 ATOM 1512 O O . VAL A 1 202 ? 9.361 -1.507 9.179 1.00 17.70 ? 543 VAL A O 1 ATOM 1513 C CB . VAL A 1 202 ? 11.361 -4.322 9.184 1.00 15.27 ? 543 VAL A CB 1 ATOM 1514 C CG1 . VAL A 1 202 ? 11.426 -5.735 9.776 1.00 14.05 ? 543 VAL A CG1 1 ATOM 1515 C CG2 . VAL A 1 202 ? 10.746 -4.392 7.809 1.00 15.26 ? 543 VAL A CG2 1 ATOM 1516 N N . LYS A 1 203 ? 11.593 -1.460 9.016 1.00 16.99 ? 544 LYS A N 1 ATOM 1517 C CA . LYS A 1 203 ? 11.574 -0.173 8.335 1.00 17.46 ? 544 LYS A CA 1 ATOM 1518 C C . LYS A 1 203 ? 11.736 -0.334 6.837 1.00 18.36 ? 544 LYS A C 1 ATOM 1519 O O . LYS A 1 203 ? 12.177 -1.384 6.362 1.00 18.54 ? 544 LYS A O 1 ATOM 1520 C CB . LYS A 1 203 ? 12.671 0.747 8.867 1.00 17.31 ? 544 LYS A CB 1 ATOM 1521 C CG . LYS A 1 203 ? 14.071 0.187 8.741 1.00 15.97 ? 544 LYS A CG 1 ATOM 1522 C CD . LYS A 1 203 ? 15.092 1.219 9.132 1.00 15.10 ? 544 LYS A CD 1 ATOM 1523 C CE . LYS A 1 203 ? 16.429 0.589 9.288 1.00 14.27 ? 544 LYS A CE 1 ATOM 1524 N NZ . LYS A 1 203 ? 17.480 1.603 9.470 1.00 16.42 ? 544 LYS A NZ 1 ATOM 1525 N N . ASN A 1 204 ? 11.396 0.725 6.103 1.00 19.30 ? 545 ASN A N 1 ATOM 1526 C CA . ASN A 1 204 ? 11.445 0.738 4.636 1.00 20.13 ? 545 ASN A CA 1 ATOM 1527 C C . ASN A 1 204 ? 12.796 0.353 4.057 1.00 20.25 ? 545 ASN A C 1 ATOM 1528 O O . ASN A 1 204 ? 12.886 -0.315 3.010 1.00 20.23 ? 545 ASN A O 1 ATOM 1529 C CB . ASN A 1 204 ? 11.051 2.126 4.110 1.00 20.58 ? 545 ASN A CB 1 ATOM 1530 C CG . ASN A 1 204 ? 11.647 2.427 2.739 1.00 24.18 ? 545 ASN A CG 1 ATOM 1531 O OD1 . ASN A 1 204 ? 11.346 1.737 1.755 1.00 25.47 ? 545 ASN A OD1 1 ATOM 1532 N ND2 . ASN A 1 204 ? 12.496 3.456 2.670 1.00 28.33 ? 545 ASN A ND2 1 ATOM 1533 N N . ASP A 1 205 ? 13.848 0.773 4.744 1.00 20.15 ? 546 ASP A N 1 ATOM 1534 C CA . ASP A 1 205 ? 15.201 0.559 4.271 1.00 20.60 ? 546 ASP A CA 1 ATOM 1535 C C . ASP A 1 205 ? 15.570 -0.943 4.228 1.00 20.10 ? 546 ASP A C 1 ATOM 1536 O O . ASP A 1 205 ? 16.291 -1.407 3.343 1.00 19.63 ? 546 ASP A O 1 ATOM 1537 C CB . ASP A 1 205 ? 16.184 1.388 5.140 1.00 21.07 ? 546 ASP A CB 1 ATOM 1538 C CG . ASP A 1 205 ? 15.883 2.915 5.101 1.00 23.65 ? 546 ASP A CG 1 ATOM 1539 O OD1 . ASP A 1 205 ? 15.037 3.428 5.895 1.00 22.96 ? 546 ASP A OD1 1 ATOM 1540 O OD2 . ASP A 1 205 ? 16.461 3.684 4.286 1.00 26.19 ? 546 ASP A OD2 1 ATOM 1541 N N . THR A 1 206 ? 15.049 -1.704 5.176 1.00 19.76 ? 547 THR A N 1 ATOM 1542 C CA . THR A 1 206 ? 15.379 -3.120 5.296 1.00 20.11 ? 547 THR A CA 1 ATOM 1543 C C . THR A 1 206 ? 14.960 -3.944 4.086 1.00 20.69 ? 547 THR A C 1 ATOM 1544 O O . THR A 1 206 ? 15.662 -4.858 3.675 1.00 20.03 ? 547 THR A O 1 ATOM 1545 C CB . THR A 1 206 ? 14.700 -3.666 6.555 1.00 20.11 ? 547 THR A CB 1 ATOM 1546 O OG1 . THR A 1 206 ? 15.127 -2.880 7.667 1.00 20.22 ? 547 THR A OG1 1 ATOM 1547 C CG2 . THR A 1 206 ? 15.171 -5.106 6.889 1.00 19.12 ? 547 THR A CG2 1 ATOM 1548 N N . VAL A 1 207 ? 13.799 -3.611 3.537 1.00 21.73 ? 548 VAL A N 1 ATOM 1549 C CA . VAL A 1 207 ? 13.256 -4.309 2.389 1.00 23.16 ? 548 VAL A CA 1 ATOM 1550 C C . VAL A 1 207 ? 14.173 -4.135 1.188 1.00 24.26 ? 548 VAL A C 1 ATOM 1551 O O . VAL A 1 207 ? 14.442 -5.077 0.443 1.00 24.14 ? 548 VAL A O 1 ATOM 1552 C CB . VAL A 1 207 ? 11.833 -3.815 2.081 1.00 23.11 ? 548 VAL A CB 1 ATOM 1553 C CG1 . VAL A 1 207 ? 11.334 -4.412 0.790 1.00 23.96 ? 548 VAL A CG1 1 ATOM 1554 C CG2 . VAL A 1 207 ? 10.912 -4.215 3.205 1.00 23.51 ? 548 VAL A CG2 1 ATOM 1555 N N . TRP A 1 208 ? 14.689 -2.930 1.031 1.00 25.47 ? 549 TRP A N 1 ATOM 1556 C CA . TRP A 1 208 ? 15.584 -2.631 -0.065 1.00 26.91 ? 549 TRP A CA 1 ATOM 1557 C C . TRP A 1 208 ? 16.985 -3.183 0.114 1.00 27.46 ? 549 TRP A C 1 ATOM 1558 O O . TRP A 1 208 ? 17.644 -3.509 -0.865 1.00 28.16 ? 549 TRP A O 1 ATOM 1559 C CB . TRP A 1 208 ? 15.697 -1.122 -0.209 1.00 26.90 ? 549 TRP A CB 1 ATOM 1560 C CG . TRP A 1 208 ? 14.476 -0.523 -0.743 1.00 28.94 ? 549 TRP A CG 1 ATOM 1561 C CD1 . TRP A 1 208 ? 13.343 -0.198 -0.057 1.00 28.99 ? 549 TRP A CD1 1 ATOM 1562 C CD2 . TRP A 1 208 ? 14.235 -0.188 -2.102 1.00 31.71 ? 549 TRP A CD2 1 ATOM 1563 N NE1 . TRP A 1 208 ? 12.404 0.318 -0.917 1.00 30.04 ? 549 TRP A NE1 1 ATOM 1564 C CE2 . TRP A 1 208 ? 12.932 0.337 -2.182 1.00 32.53 ? 549 TRP A CE2 1 ATOM 1565 C CE3 . TRP A 1 208 ? 14.993 -0.278 -3.274 1.00 33.14 ? 549 TRP A CE3 1 ATOM 1566 C CZ2 . TRP A 1 208 ? 12.378 0.775 -3.381 1.00 32.94 ? 549 TRP A CZ2 1 ATOM 1567 C CZ3 . TRP A 1 208 ? 14.446 0.157 -4.456 1.00 33.25 ? 549 TRP A CZ3 1 ATOM 1568 C CH2 . TRP A 1 208 ? 13.151 0.677 -4.504 1.00 33.79 ? 549 TRP A CH2 1 ATOM 1569 N N . GLU A 1 209 ? 17.450 -3.248 1.357 1.00 27.90 ? 550 GLU A N 1 ATOM 1570 C CA . GLU A 1 209 ? 18.835 -3.618 1.633 1.00 28.36 ? 550 GLU A CA 1 ATOM 1571 C C . GLU A 1 209 ? 19.019 -5.117 1.581 1.00 28.19 ? 550 GLU A C 1 ATOM 1572 O O . GLU A 1 209 ? 20.142 -5.620 1.605 1.00 28.74 ? 550 GLU A O 1 ATOM 1573 C CB . GLU A 1 209 ? 19.307 -3.029 2.978 1.00 28.37 ? 550 GLU A CB 1 ATOM 1574 C CG . GLU A 1 209 ? 19.239 -1.503 3.007 1.00 31.76 ? 550 GLU A CG 1 ATOM 1575 C CD . GLU A 1 209 ? 19.654 -0.867 4.337 1.00 35.50 ? 550 GLU A CD 1 ATOM 1576 O OE1 . GLU A 1 209 ? 19.837 -1.582 5.349 1.00 35.48 ? 550 GLU A OE1 1 ATOM 1577 O OE2 . GLU A 1 209 ? 19.795 0.380 4.368 1.00 38.56 ? 550 GLU A OE2 1 ATOM 1578 N N . ASN A 1 210 ? 17.908 -5.834 1.483 1.00 27.92 ? 551 ASN A N 1 ATOM 1579 C CA . ASN A 1 210 ? 17.980 -7.292 1.443 1.00 27.91 ? 551 ASN A CA 1 ATOM 1580 C C . ASN A 1 210 ? 17.286 -7.971 0.263 1.00 27.91 ? 551 ASN A C 1 ATOM 1581 O O . ASN A 1 210 ? 16.966 -9.156 0.331 1.00 27.60 ? 551 ASN A O 1 ATOM 1582 C CB . ASN A 1 210 ? 17.497 -7.896 2.764 1.00 27.77 ? 551 ASN A CB 1 ATOM 1583 C CG . ASN A 1 210 ? 18.353 -7.460 3.950 1.00 27.89 ? 551 ASN A CG 1 ATOM 1584 O OD1 . ASN A 1 210 ? 19.406 -8.034 4.204 1.00 27.82 ? 551 ASN A OD1 1 ATOM 1585 N ND2 . ASN A 1 210 ? 17.903 -6.434 4.669 1.00 24.78 ? 551 ASN A ND2 1 ATOM 1586 N N . THR A 1 211 ? 17.060 -7.227 -0.814 1.00 28.15 ? 552 THR A N 1 ATOM 1587 C CA . THR A 1 211 ? 16.456 -7.794 -2.024 1.00 28.67 ? 552 THR A CA 1 ATOM 1588 C C . THR A 1 211 ? 17.240 -7.386 -3.277 1.00 29.41 ? 552 THR A C 1 ATOM 1589 O O . THR A 1 211 ? 18.042 -6.450 -3.245 1.00 29.63 ? 552 THR A O 1 ATOM 1590 C CB . THR A 1 211 ? 14.980 -7.355 -2.182 1.00 27.98 ? 552 THR A CB 1 ATOM 1591 O OG1 . THR A 1 211 ? 14.901 -5.930 -2.163 1.00 27.70 ? 552 THR A OG1 1 ATOM 1592 C CG2 . THR A 1 211 ? 14.142 -7.770 -0.993 1.00 27.37 ? 552 THR A CG2 1 ATOM 1593 N N . ASN A 1 212 ? 17.004 -8.100 -4.373 1.00 30.44 ? 553 ASN A N 1 ATOM 1594 C CA . ASN A 1 212 ? 17.611 -7.784 -5.674 1.00 31.45 ? 553 ASN A CA 1 ATOM 1595 C C . ASN A 1 212 ? 19.122 -7.744 -5.694 1.00 31.67 ? 553 ASN A C 1 ATOM 1596 O O . ASN A 1 212 ? 19.691 -6.897 -6.364 1.00 32.50 ? 553 ASN A O 1 ATOM 1597 C CB . ASN A 1 212 ? 17.131 -6.424 -6.180 1.00 31.42 ? 553 ASN A CB 1 ATOM 1598 C CG . ASN A 1 212 ? 15.639 -6.372 -6.415 1.00 32.38 ? 553 ASN A CG 1 ATOM 1599 O OD1 . ASN A 1 212 ? 14.888 -7.211 -5.928 1.00 33.74 ? 553 ASN A OD1 1 ATOM 1600 N ND2 . ASN A 1 212 ? 15.199 -5.365 -7.163 1.00 34.22 ? 553 ASN A ND2 1 ATOM 1601 N N . GLY A 1 213 ? 19.781 -8.622 -4.958 1.00 32.33 ? 554 GLY A N 1 ATOM 1602 C CA . GLY A 1 213 ? 21.233 -8.635 -4.955 1.00 32.80 ? 554 GLY A CA 1 ATOM 1603 C C . GLY A 1 213 ? 21.963 -7.702 -3.999 1.00 33.26 ? 554 GLY A C 1 ATOM 1604 O O . GLY A 1 213 ? 23.193 -7.728 -3.966 1.00 33.32 ? 554 GLY A O 1 ATOM 1605 N N . GLU A 1 214 ? 21.243 -6.894 -3.218 1.00 33.91 ? 555 GLU A N 1 ATOM 1606 C CA . GLU A 1 214 ? 21.901 -5.969 -2.281 1.00 34.76 ? 555 GLU A CA 1 ATOM 1607 C C . GLU A 1 214 ? 22.562 -6.717 -1.132 1.00 34.93 ? 555 GLU A C 1 ATOM 1608 O O . GLU A 1 214 ? 23.442 -6.187 -0.450 1.00 34.91 ? 555 GLU A O 1 ATOM 1609 C CB . GLU A 1 214 ? 20.915 -4.951 -1.704 1.00 34.94 ? 555 GLU A CB 1 ATOM 1610 C CG . GLU A 1 214 ? 20.355 -3.968 -2.714 1.00 36.87 ? 555 GLU A CG 1 ATOM 1611 C CD . GLU A 1 214 ? 21.412 -3.020 -3.250 1.00 39.42 ? 555 GLU A CD 1 ATOM 1612 O OE1 . GLU A 1 214 ? 22.190 -2.445 -2.457 1.00 39.91 ? 555 GLU A OE1 1 ATOM 1613 O OE2 . GLU A 1 214 ? 21.463 -2.848 -4.476 1.00 41.70 ? 555 GLU A OE2 1 ATOM 1614 N N . SER A 1 215 ? 22.123 -7.947 -0.908 1.00 34.99 ? 556 SER A N 1 ATOM 1615 C CA . SER A 1 215 ? 22.691 -8.745 0.147 1.00 35.55 ? 556 SER A CA 1 ATOM 1616 C C . SER A 1 215 ? 23.077 -10.083 -0.427 1.00 36.08 ? 556 SER A C 1 ATOM 1617 O O . SER A 1 215 ? 22.269 -10.726 -1.078 1.00 36.45 ? 556 SER A O 1 ATOM 1618 C CB . SER A 1 215 ? 21.675 -8.937 1.271 1.00 35.68 ? 556 SER A CB 1 ATOM 1619 O OG . SER A 1 215 ? 21.740 -10.264 1.790 1.00 35.28 ? 556 SER A OG 1 ATOM 1620 N N . THR A 1 216 ? 24.307 -10.512 -0.182 1.00 36.88 ? 557 THR A N 1 ATOM 1621 C CA . THR A 1 216 ? 24.751 -11.805 -0.670 1.00 37.79 ? 557 THR A CA 1 ATOM 1622 C C . THR A 1 216 ? 24.400 -12.890 0.333 1.00 38.08 ? 557 THR A C 1 ATOM 1623 O O . THR A 1 216 ? 24.807 -14.049 0.181 1.00 38.68 ? 557 THR A O 1 ATOM 1624 C CB . THR A 1 216 ? 26.260 -11.807 -0.921 1.00 38.03 ? 557 THR A CB 1 ATOM 1625 O OG1 . THR A 1 216 ? 26.954 -11.654 0.329 1.00 39.39 ? 557 THR A OG1 1 ATOM 1626 C CG2 . THR A 1 216 ? 26.669 -10.587 -1.743 1.00 38.22 ? 557 THR A CG2 1 ATOM 1627 N N . ALA A 1 217 ? 23.657 -12.524 1.370 1.00 38.08 ? 558 ALA A N 1 ATOM 1628 C CA . ALA A 1 217 ? 23.225 -13.515 2.339 1.00 37.57 ? 558 ALA A CA 1 ATOM 1629 C C . ALA A 1 217 ? 22.427 -14.559 1.589 1.00 37.51 ? 558 ALA A C 1 ATOM 1630 O O . ALA A 1 217 ? 21.663 -14.237 0.676 1.00 38.02 ? 558 ALA A O 1 ATOM 1631 C CB . ALA A 1 217 ? 22.392 -12.884 3.418 1.00 37.58 ? 558 ALA A CB 1 ATOM 1632 N N . ASP A 1 218 ? 22.619 -15.811 1.984 1.00 36.95 ? 559 ASP A N 1 ATOM 1633 C CA . ASP A 1 218 ? 21.997 -16.952 1.331 1.00 36.23 ? 559 ASP A CA 1 ATOM 1634 C C . ASP A 1 218 ? 20.482 -17.049 1.469 1.00 34.94 ? 559 ASP A C 1 ATOM 1635 O O . ASP A 1 218 ? 19.847 -17.784 0.710 1.00 34.77 ? 559 ASP A O 1 ATOM 1636 C CB . ASP A 1 218 ? 22.645 -18.255 1.829 1.00 36.80 ? 559 ASP A CB 1 ATOM 1637 C CG . ASP A 1 218 ? 23.462 -18.051 3.094 1.00 39.66 ? 559 ASP A CG 1 ATOM 1638 O OD1 . ASP A 1 218 ? 23.815 -16.882 3.416 1.00 42.74 ? 559 ASP A OD1 1 ATOM 1639 O OD2 . ASP A 1 218 ? 23.808 -19.004 3.834 1.00 42.55 ? 559 ASP A OD2 1 ATOM 1640 N N . TRP A 1 219 ? 19.893 -16.350 2.434 1.00 33.03 ? 560 TRP A N 1 ATOM 1641 C CA . TRP A 1 219 ? 18.452 -16.473 2.600 1.00 31.04 ? 560 TRP A CA 1 ATOM 1642 C C . TRP A 1 219 ? 17.814 -15.389 1.774 1.00 31.03 ? 560 TRP A C 1 ATOM 1643 O O . TRP A 1 219 ? 16.600 -15.374 1.568 1.00 31.02 ? 560 TRP A O 1 ATOM 1644 C CB . TRP A 1 219 ? 18.033 -16.343 4.069 1.00 30.13 ? 560 TRP A CB 1 ATOM 1645 C CG . TRP A 1 219 ? 18.510 -15.087 4.756 1.00 26.04 ? 560 TRP A CG 1 ATOM 1646 C CD1 . TRP A 1 219 ? 19.647 -14.940 5.490 1.00 24.26 ? 560 TRP A CD1 1 ATOM 1647 C CD2 . TRP A 1 219 ? 17.859 -13.816 4.777 1.00 22.09 ? 560 TRP A CD2 1 ATOM 1648 N NE1 . TRP A 1 219 ? 19.749 -13.654 5.966 1.00 22.21 ? 560 TRP A NE1 1 ATOM 1649 C CE2 . TRP A 1 219 ? 18.659 -12.945 5.544 1.00 22.29 ? 560 TRP A CE2 1 ATOM 1650 C CE3 . TRP A 1 219 ? 16.669 -13.323 4.235 1.00 22.67 ? 560 TRP A CE3 1 ATOM 1651 C CZ2 . TRP A 1 219 ? 18.307 -11.617 5.787 1.00 22.12 ? 560 TRP A CZ2 1 ATOM 1652 C CZ3 . TRP A 1 219 ? 16.325 -11.988 4.467 1.00 22.73 ? 560 TRP A CZ3 1 ATOM 1653 C CH2 . TRP A 1 219 ? 17.146 -11.157 5.235 1.00 21.80 ? 560 TRP A CH2 1 ATOM 1654 N N . ALA A 1 220 ? 18.666 -14.491 1.287 1.00 31.00 ? 561 ALA A N 1 ATOM 1655 C CA . ALA A 1 220 ? 18.227 -13.308 0.572 1.00 31.29 ? 561 ALA A CA 1 ATOM 1656 C C . ALA A 1 220 ? 18.689 -13.163 -0.875 1.00 31.78 ? 561 ALA A C 1 ATOM 1657 O O . ALA A 1 220 ? 17.943 -12.614 -1.693 1.00 31.60 ? 561 ALA A O 1 ATOM 1658 C CB . ALA A 1 220 ? 18.633 -12.049 1.363 1.00 31.07 ? 561 ALA A CB 1 ATOM 1659 N N . LYS A 1 221 ? 19.910 -13.605 -1.195 1.00 32.49 ? 562 LYS A N 1 ATOM 1660 C CA . LYS A 1 221 ? 20.450 -13.371 -2.541 1.00 33.03 ? 562 LYS A CA 1 ATOM 1661 C C . LYS A 1 221 ? 19.381 -13.608 -3.600 1.00 33.06 ? 562 LYS A C 1 ATOM 1662 O O . LYS A 1 221 ? 19.378 -12.980 -4.652 1.00 33.06 ? 562 LYS A O 1 ATOM 1663 C CB . LYS A 1 221 ? 21.705 -14.200 -2.815 1.00 33.34 ? 562 LYS A CB 1 ATOM 1664 C CG . LYS A 1 221 ? 21.781 -15.472 -2.024 1.00 34.04 ? 562 LYS A CG 1 ATOM 1665 C CD . LYS A 1 221 ? 22.704 -16.471 -2.673 1.00 35.23 ? 562 LYS A CD 1 ATOM 1666 C CE . LYS A 1 221 ? 22.167 -17.875 -2.467 1.00 35.29 ? 562 LYS A CE 1 ATOM 1667 N NZ . LYS A 1 221 ? 23.254 -18.877 -2.252 1.00 34.79 ? 562 LYS A NZ 1 ATOM 1668 N N . ASN A 1 222 ? 18.434 -14.473 -3.279 1.00 33.06 ? 563 ASN A N 1 ATOM 1669 C CA . ASN A 1 222 ? 17.388 -14.817 -4.219 1.00 33.48 ? 563 ASN A CA 1 ATOM 1670 C C . ASN A 1 222 ? 16.070 -14.023 -4.089 1.00 33.16 ? 563 ASN A C 1 ATOM 1671 O O . ASN A 1 222 ? 15.144 -14.263 -4.849 1.00 33.36 ? 563 ASN A O 1 ATOM 1672 C CB . ASN A 1 222 ? 17.109 -16.308 -4.094 1.00 34.22 ? 563 ASN A CB 1 ATOM 1673 C CG . ASN A 1 222 ? 17.238 -17.028 -5.405 1.00 36.59 ? 563 ASN A CG 1 ATOM 1674 O OD1 . ASN A 1 222 ? 18.348 -17.219 -5.923 1.00 36.90 ? 563 ASN A OD1 1 ATOM 1675 N ND2 . ASN A 1 222 ? 16.098 -17.431 -5.966 1.00 38.60 ? 563 ASN A ND2 1 ATOM 1676 N N . LEU A 1 223 ? 15.976 -13.081 -3.151 1.00 32.07 ? 564 LEU A N 1 ATOM 1677 C CA . LEU A 1 223 ? 14.744 -12.300 -3.002 1.00 31.42 ? 564 LEU A CA 1 ATOM 1678 C C . LEU A 1 223 ? 14.599 -11.103 -3.961 1.00 31.26 ? 564 LEU A C 1 ATOM 1679 O O . LEU A 1 223 ? 15.559 -10.379 -4.214 1.00 30.95 ? 564 LEU A O 1 ATOM 1680 C CB . LEU A 1 223 ? 14.592 -11.795 -1.558 1.00 30.85 ? 564 LEU A CB 1 ATOM 1681 C CG . LEU A 1 223 ? 14.793 -12.807 -0.442 1.00 29.89 ? 564 LEU A CG 1 ATOM 1682 C CD1 . LEU A 1 223 ? 14.724 -12.087 0.896 1.00 27.59 ? 564 LEU A CD1 1 ATOM 1683 C CD2 . LEU A 1 223 ? 13.753 -13.937 -0.539 1.00 26.43 ? 564 LEU A CD2 1 ATOM 1684 N N . LYS A 1 224 ? 13.363 -10.880 -4.419 1.00 31.46 ? 565 LYS A N 1 ATOM 1685 C CA . LYS A 1 224 ? 12.982 -9.802 -5.340 1.00 31.45 ? 565 LYS A CA 1 ATOM 1686 C C . LYS A 1 224 ? 11.985 -8.818 -4.699 1.00 31.16 ? 565 LYS A C 1 ATOM 1687 O O . LYS A 1 224 ? 10.965 -9.242 -4.177 1.00 30.87 ? 565 LYS A O 1 ATOM 1688 C CB . LYS A 1 224 ? 12.307 -10.442 -6.567 1.00 31.77 ? 565 LYS A CB 1 ATOM 1689 C CG . LYS A 1 224 ? 12.154 -9.546 -7.813 1.00 32.84 ? 565 LYS A CG 1 ATOM 1690 C CD . LYS A 1 224 ? 11.321 -8.279 -7.577 1.00 34.28 ? 565 LYS A CD 1 ATOM 1691 C CE . LYS A 1 224 ? 11.858 -7.098 -8.397 1.00 34.95 ? 565 LYS A CE 1 ATOM 1692 N NZ . LYS A 1 224 ? 10.904 -5.956 -8.562 1.00 35.11 ? 565 LYS A NZ 1 ATOM 1693 N N . ARG A 1 225 ? 12.249 -7.513 -4.766 1.00 31.33 ? 566 ARG A N 1 ATOM 1694 C CA . ARG A 1 225 ? 11.313 -6.520 -4.221 1.00 31.44 ? 566 ARG A CA 1 ATOM 1695 C C . ARG A 1 225 ? 9.872 -6.727 -4.713 1.00 31.42 ? 566 ARG A C 1 ATOM 1696 O O . ARG A 1 225 ? 8.927 -6.704 -3.934 1.00 31.38 ? 566 ARG A O 1 ATOM 1697 C CB . ARG A 1 225 ? 11.748 -5.098 -4.594 1.00 32.00 ? 566 ARG A CB 1 ATOM 1698 C CG . ARG A 1 225 ? 13.241 -4.892 -4.596 1.00 32.68 ? 566 ARG A CG 1 ATOM 1699 C CD . ARG A 1 225 ? 13.675 -3.455 -4.467 1.00 33.27 ? 566 ARG A CD 1 ATOM 1700 N NE . ARG A 1 225 ? 15.009 -3.373 -3.879 1.00 34.07 ? 566 ARG A NE 1 ATOM 1701 C CZ . ARG A 1 225 ? 16.102 -3.037 -4.552 1.00 34.36 ? 566 ARG A CZ 1 ATOM 1702 N NH1 . ARG A 1 225 ? 16.023 -2.755 -5.848 1.00 34.07 ? 566 ARG A NH1 1 ATOM 1703 N NH2 . ARG A 1 225 ? 17.273 -2.998 -3.931 1.00 32.58 ? 566 ARG A NH2 1 ATOM 1704 N N . GLU A 1 226 ? 9.683 -6.909 -6.013 1.00 31.29 ? 567 GLU A N 1 ATOM 1705 C CA . GLU A 1 226 ? 8.320 -7.112 -6.503 1.00 31.44 ? 567 GLU A CA 1 ATOM 1706 C C . GLU A 1 226 ? 7.588 -8.223 -5.767 1.00 30.36 ? 567 GLU A C 1 ATOM 1707 O O . GLU A 1 226 ? 6.359 -8.261 -5.774 1.00 30.80 ? 567 GLU A O 1 ATOM 1708 C CB . GLU A 1 226 ? 8.262 -7.346 -8.021 1.00 32.05 ? 567 GLU A CB 1 ATOM 1709 C CG . GLU A 1 226 ? 7.652 -6.169 -8.779 1.00 35.17 ? 567 GLU A CG 1 ATOM 1710 C CD . GLU A 1 226 ? 6.287 -5.782 -8.217 1.00 40.65 ? 567 GLU A CD 1 ATOM 1711 O OE1 . GLU A 1 226 ? 5.333 -6.577 -8.362 1.00 43.29 ? 567 GLU A OE1 1 ATOM 1712 O OE2 . GLU A 1 226 ? 6.159 -4.693 -7.613 1.00 41.87 ? 567 GLU A OE2 1 ATOM 1713 N N . ASP A 1 227 ? 8.327 -9.111 -5.110 1.00 28.93 ? 568 ASP A N 1 ATOM 1714 C CA . ASP A 1 227 ? 7.692 -10.213 -4.386 1.00 27.78 ? 568 ASP A CA 1 ATOM 1715 C C . ASP A 1 227 ? 7.094 -9.827 -3.028 1.00 27.24 ? 568 ASP A C 1 ATOM 1716 O O . ASP A 1 227 ? 6.418 -10.623 -2.367 1.00 26.90 ? 568 ASP A O 1 ATOM 1717 C CB . ASP A 1 227 ? 8.638 -11.410 -4.283 1.00 27.42 ? 568 ASP A CB 1 ATOM 1718 C CG . ASP A 1 227 ? 8.805 -12.132 -5.628 1.00 27.19 ? 568 ASP A CG 1 ATOM 1719 O OD1 . ASP A 1 227 ? 7.988 -11.921 -6.553 1.00 25.34 ? 568 ASP A OD1 1 ATOM 1720 O OD2 . ASP A 1 227 ? 9.721 -12.926 -5.856 1.00 27.36 ? 568 ASP A OD2 1 ATOM 1721 N N . PHE A 1 228 ? 7.302 -8.579 -2.633 1.00 26.41 ? 569 PHE A N 1 ATOM 1722 C CA . PHE A 1 228 ? 6.758 -8.120 -1.371 1.00 25.49 ? 569 PHE A CA 1 ATOM 1723 C C . PHE A 1 228 ? 5.721 -7.030 -1.575 1.00 24.84 ? 569 PHE A C 1 ATOM 1724 O O . PHE A 1 228 ? 5.628 -6.461 -2.658 1.00 25.18 ? 569 PHE A O 1 ATOM 1725 C CB . PHE A 1 228 ? 7.896 -7.647 -0.478 1.00 25.13 ? 569 PHE A CB 1 ATOM 1726 C CG . PHE A 1 228 ? 8.840 -8.740 -0.119 1.00 24.66 ? 569 PHE A CG 1 ATOM 1727 C CD1 . PHE A 1 228 ? 8.572 -9.578 0.947 1.00 23.71 ? 569 PHE A CD1 1 ATOM 1728 C CD2 . PHE A 1 228 ? 9.975 -8.957 -0.868 1.00 24.09 ? 569 PHE A CD2 1 ATOM 1729 C CE1 . PHE A 1 228 ? 9.437 -10.590 1.278 1.00 24.62 ? 569 PHE A CE1 1 ATOM 1730 C CE2 . PHE A 1 228 ? 10.843 -9.972 -0.548 1.00 23.68 ? 569 PHE A CE2 1 ATOM 1731 C CZ . PHE A 1 228 ? 10.577 -10.794 0.528 1.00 23.87 ? 569 PHE A CZ 1 ATOM 1732 N N . ARG A 1 229 ? 4.933 -6.779 -0.537 1.00 23.63 ? 570 ARG A N 1 ATOM 1733 C CA . ARG A 1 229 ? 3.955 -5.715 -0.516 1.00 23.12 ? 570 ARG A CA 1 ATOM 1734 C C . ARG A 1 229 ? 3.964 -5.055 0.868 1.00 22.35 ? 570 ARG A C 1 ATOM 1735 O O . ARG A 1 229 ? 4.227 -5.736 1.867 1.00 21.78 ? 570 ARG A O 1 ATOM 1736 C CB . ARG A 1 229 ? 2.571 -6.299 -0.784 1.00 23.52 ? 570 ARG A CB 1 ATOM 1737 C CG . ARG A 1 229 ? 2.316 -6.673 -2.241 1.00 24.76 ? 570 ARG A CG 1 ATOM 1738 C CD . ARG A 1 229 ? 2.298 -5.450 -3.149 1.00 29.04 ? 570 ARG A CD 1 ATOM 1739 N NE . ARG A 1 229 ? 1.998 -5.776 -4.535 1.00 30.69 ? 570 ARG A NE 1 ATOM 1740 C CZ . ARG A 1 229 ? 2.916 -5.851 -5.483 1.00 31.53 ? 570 ARG A CZ 1 ATOM 1741 N NH1 . ARG A 1 229 ? 4.187 -5.619 -5.181 1.00 31.69 ? 570 ARG A NH1 1 ATOM 1742 N NH2 . ARG A 1 229 ? 2.570 -6.161 -6.726 1.00 31.39 ? 570 ARG A NH2 1 ATOM 1743 N N . LEU A 1 230 ? 3.684 -3.751 0.922 1.00 21.86 ? 571 LEU A N 1 ATOM 1744 C CA . LEU A 1 230 ? 3.535 -3.014 2.183 1.00 21.55 ? 571 LEU A CA 1 ATOM 1745 C C . LEU A 1 230 ? 2.045 -2.942 2.515 1.00 21.36 ? 571 LEU A C 1 ATOM 1746 O O . LEU A 1 230 ? 1.232 -2.739 1.618 1.00 21.48 ? 571 LEU A O 1 ATOM 1747 C CB . LEU A 1 230 ? 4.097 -1.590 2.057 1.00 21.70 ? 571 LEU A CB 1 ATOM 1748 C CG . LEU A 1 230 ? 5.575 -1.483 1.682 1.00 22.24 ? 571 LEU A CG 1 ATOM 1749 C CD1 . LEU A 1 230 ? 6.042 -0.046 1.613 1.00 20.67 ? 571 LEU A CD1 1 ATOM 1750 C CD2 . LEU A 1 230 ? 6.411 -2.291 2.674 1.00 20.05 ? 571 LEU A CD2 1 ATOM 1751 N N . LEU A 1 231 ? 1.666 -3.122 3.781 1.00 21.17 ? 572 LEU A N 1 ATOM 1752 C CA . LEU A 1 231 ? 0.257 -2.949 4.190 1.00 21.04 ? 572 LEU A CA 1 ATOM 1753 C C . LEU A 1 231 ? 0.027 -1.504 4.598 1.00 21.09 ? 572 LEU A C 1 ATOM 1754 O O . LEU A 1 231 ? 0.671 -1.029 5.511 1.00 21.10 ? 572 LEU A O 1 ATOM 1755 C CB . LEU A 1 231 ? -0.105 -3.871 5.362 1.00 20.82 ? 572 LEU A CB 1 ATOM 1756 C CG . LEU A 1 231 ? 0.150 -5.357 5.083 1.00 22.35 ? 572 LEU A CG 1 ATOM 1757 C CD1 . LEU A 1 231 ? -0.245 -6.242 6.255 1.00 24.91 ? 572 LEU A CD1 1 ATOM 1758 C CD2 . LEU A 1 231 ? -0.585 -5.783 3.810 1.00 22.08 ? 572 LEU A CD2 1 ATOM 1759 N N . CYS A 1 232 ? -0.861 -0.799 3.906 1.00 21.80 ? 573 CYS A N 1 ATOM 1760 C CA . CYS A 1 232 ? -1.195 0.583 4.252 1.00 22.57 ? 573 CYS A CA 1 ATOM 1761 C C . CYS A 1 232 ? -2.290 0.550 5.298 1.00 23.15 ? 573 CYS A C 1 ATOM 1762 O O . CYS A 1 232 ? -2.967 -0.457 5.459 1.00 23.36 ? 573 CYS A O 1 ATOM 1763 C CB . CYS A 1 232 ? -1.704 1.345 3.027 1.00 21.70 ? 573 CYS A CB 1 ATOM 1764 S SG . CYS A 1 232 ? -0.775 1.019 1.529 1.00 22.80 ? 573 CYS A SG 1 ATOM 1765 N N . LEU A 1 233 ? -2.497 1.660 5.987 1.00 24.46 ? 574 LEU A N 1 ATOM 1766 C CA . LEU A 1 233 ? -3.509 1.705 7.043 1.00 25.70 ? 574 LEU A CA 1 ATOM 1767 C C . LEU A 1 233 ? -4.948 1.793 6.531 1.00 26.52 ? 574 LEU A C 1 ATOM 1768 O O . LEU A 1 233 ? -5.880 1.561 7.294 1.00 27.15 ? 574 LEU A O 1 ATOM 1769 C CB . LEU A 1 233 ? -3.215 2.846 8.030 1.00 25.41 ? 574 LEU A CB 1 ATOM 1770 C CG . LEU A 1 233 ? -2.042 2.609 8.972 1.00 25.84 ? 574 LEU A CG 1 ATOM 1771 C CD1 . LEU A 1 233 ? -1.646 3.841 9.805 1.00 25.34 ? 574 LEU A CD1 1 ATOM 1772 C CD2 . LEU A 1 233 ? -2.380 1.435 9.880 1.00 28.31 ? 574 LEU A CD2 1 ATOM 1773 N N . ASP A 1 234 ? -5.130 2.123 5.253 1.00 27.16 ? 575 ASP A N 1 ATOM 1774 C CA . ASP A 1 234 ? -6.469 2.219 4.674 1.00 27.73 ? 575 ASP A CA 1 ATOM 1775 C C . ASP A 1 234 ? -6.981 0.920 4.051 1.00 28.24 ? 575 ASP A C 1 ATOM 1776 O O . ASP A 1 234 ? -8.010 0.915 3.400 1.00 28.84 ? 575 ASP A O 1 ATOM 1777 C CB . ASP A 1 234 ? -6.533 3.335 3.637 1.00 27.84 ? 575 ASP A CB 1 ATOM 1778 C CG . ASP A 1 234 ? -5.675 3.052 2.418 1.00 28.95 ? 575 ASP A CG 1 ATOM 1779 O OD1 . ASP A 1 234 ? -5.066 1.956 2.327 1.00 30.95 ? 575 ASP A OD1 1 ATOM 1780 O OD2 . ASP A 1 234 ? -5.543 3.882 1.495 1.00 29.15 ? 575 ASP A OD2 1 ATOM 1781 N N . GLY A 1 235 ? -6.245 -0.170 4.198 1.00 28.49 ? 576 GLY A N 1 ATOM 1782 C CA . GLY A 1 235 ? -6.742 -1.459 3.758 1.00 28.68 ? 576 GLY A CA 1 ATOM 1783 C C . GLY A 1 235 ? -6.219 -1.961 2.436 1.00 28.86 ? 576 GLY A C 1 ATOM 1784 O O . GLY A 1 235 ? -6.681 -2.981 1.919 1.00 29.65 ? 576 GLY A O 1 ATOM 1785 N N . THR A 1 236 ? -5.244 -1.247 1.894 1.00 28.44 ? 577 THR A N 1 ATOM 1786 C CA . THR A 1 236 ? -4.697 -1.596 0.596 1.00 27.87 ? 577 THR A CA 1 ATOM 1787 C C . THR A 1 236 ? -3.274 -2.104 0.713 1.00 27.25 ? 577 THR A C 1 ATOM 1788 O O . THR A 1 236 ? -2.683 -2.110 1.795 1.00 26.85 ? 577 THR A O 1 ATOM 1789 C CB . THR A 1 236 ? -4.749 -0.380 -0.332 1.00 28.70 ? 577 THR A CB 1 ATOM 1790 O OG1 . THR A 1 236 ? -4.029 0.716 0.261 1.00 28.99 ? 577 THR A OG1 1 ATOM 1791 C CG2 . THR A 1 236 ? -6.190 0.167 -0.422 1.00 28.49 ? 577 THR A CG2 1 ATOM 1792 N N . ARG A 1 237 ? -2.742 -2.571 -0.406 1.00 26.39 ? 578 ARG A N 1 ATOM 1793 C CA . ARG A 1 237 ? -1.390 -3.081 -0.452 1.00 26.07 ? 578 ARG A CA 1 ATOM 1794 C C . ARG A 1 237 ? -0.691 -2.320 -1.544 1.00 26.11 ? 578 ARG A C 1 ATOM 1795 O O . ARG A 1 237 ? -1.281 -2.031 -2.571 1.00 25.65 ? 578 ARG A O 1 ATOM 1796 C CB . ARG A 1 237 ? -1.394 -4.574 -0.792 1.00 26.01 ? 578 ARG A CB 1 ATOM 1797 C CG . ARG A 1 237 ? -2.005 -5.431 0.280 1.00 25.81 ? 578 ARG A CG 1 ATOM 1798 C CD . ARG A 1 237 ? -2.796 -6.609 -0.228 1.00 25.22 ? 578 ARG A CD 1 ATOM 1799 N NE . ARG A 1 237 ? -2.038 -7.477 -1.127 1.00 25.15 ? 578 ARG A NE 1 ATOM 1800 C CZ . ARG A 1 237 ? -1.349 -8.551 -0.752 1.00 22.18 ? 578 ARG A CZ 1 ATOM 1801 N NH1 . ARG A 1 237 ? -1.303 -8.908 0.513 1.00 20.17 ? 578 ARG A NH1 1 ATOM 1802 N NH2 . ARG A 1 237 ? -0.708 -9.272 -1.656 1.00 22.97 ? 578 ARG A NH2 1 ATOM 1803 N N . LYS A 1 238 ? 0.570 -1.990 -1.331 1.00 26.49 ? 579 LYS A N 1 ATOM 1804 C CA . LYS A 1 238 ? 1.298 -1.287 -2.354 1.00 27.29 ? 579 LYS A CA 1 ATOM 1805 C C . LYS A 1 238 ? 2.673 -1.893 -2.556 1.00 27.56 ? 579 LYS A C 1 ATOM 1806 O O . LYS A 1 238 ? 3.162 -2.641 -1.703 1.00 28.03 ? 579 LYS A O 1 ATOM 1807 C CB . LYS A 1 238 ? 1.413 0.195 -2.008 1.00 27.66 ? 579 LYS A CB 1 ATOM 1808 C CG . LYS A 1 238 ? 0.116 0.945 -2.150 1.00 28.71 ? 579 LYS A CG 1 ATOM 1809 C CD . LYS A 1 238 ? 0.349 2.435 -2.172 1.00 32.42 ? 579 LYS A CD 1 ATOM 1810 C CE . LYS A 1 238 ? -0.978 3.197 -2.037 1.00 34.32 ? 579 LYS A CE 1 ATOM 1811 N NZ . LYS A 1 238 ? -1.521 3.063 -0.649 1.00 36.53 ? 579 LYS A NZ 1 ATOM 1812 N N . PRO A 1 239 ? 3.259 -1.622 -3.720 1.00 27.02 ? 580 PRO A N 1 ATOM 1813 C CA . PRO A 1 239 ? 4.651 -1.993 -3.989 1.00 26.76 ? 580 PRO A CA 1 ATOM 1814 C C . PRO A 1 239 ? 5.560 -1.248 -3.043 1.00 26.18 ? 580 PRO A C 1 ATOM 1815 O O . PRO A 1 239 ? 5.300 -0.121 -2.630 1.00 26.37 ? 580 PRO A O 1 ATOM 1816 C CB . PRO A 1 239 ? 4.883 -1.529 -5.428 1.00 26.29 ? 580 PRO A CB 1 ATOM 1817 C CG . PRO A 1 239 ? 3.499 -1.461 -6.011 1.00 27.57 ? 580 PRO A CG 1 ATOM 1818 C CD . PRO A 1 239 ? 2.598 -1.012 -4.882 1.00 26.74 ? 580 PRO A CD 1 ATOM 1819 N N . VAL A 1 240 ? 6.659 -1.886 -2.716 1.00 26.27 ? 581 VAL A N 1 ATOM 1820 C CA . VAL A 1 240 ? 7.555 -1.351 -1.722 1.00 25.92 ? 581 VAL A CA 1 ATOM 1821 C C . VAL A 1 240 ? 8.155 -0.039 -2.153 1.00 26.41 ? 581 VAL A C 1 ATOM 1822 O O . VAL A 1 240 ? 8.879 0.575 -1.383 1.00 27.14 ? 581 VAL A O 1 ATOM 1823 C CB . VAL A 1 240 ? 8.631 -2.370 -1.410 1.00 26.26 ? 581 VAL A CB 1 ATOM 1824 C CG1 . VAL A 1 240 ? 7.977 -3.668 -0.999 1.00 23.48 ? 581 VAL A CG1 1 ATOM 1825 C CG2 . VAL A 1 240 ? 9.489 -2.597 -2.632 1.00 25.86 ? 581 VAL A CG2 1 ATOM 1826 N N . THR A 1 241 ? 7.849 0.394 -3.381 1.00 26.52 ? 582 THR A N 1 ATOM 1827 C CA . THR A 1 241 ? 8.289 1.696 -3.890 1.00 25.80 ? 582 THR A CA 1 ATOM 1828 C C . THR A 1 241 ? 7.425 2.843 -3.348 1.00 25.67 ? 582 THR A C 1 ATOM 1829 O O . THR A 1 241 ? 7.825 4.005 -3.403 1.00 24.81 ? 582 THR A O 1 ATOM 1830 C CB . THR A 1 241 ? 8.236 1.727 -5.435 1.00 26.32 ? 582 THR A CB 1 ATOM 1831 O OG1 . THR A 1 241 ? 6.953 1.270 -5.891 1.00 26.45 ? 582 THR A OG1 1 ATOM 1832 C CG2 . THR A 1 241 ? 9.209 0.727 -6.053 1.00 26.78 ? 582 THR A CG2 1 ATOM 1833 N N . GLU A 1 242 ? 6.244 2.527 -2.817 1.00 25.88 ? 583 GLU A N 1 ATOM 1834 C CA . GLU A 1 242 ? 5.345 3.582 -2.325 1.00 26.29 ? 583 GLU A CA 1 ATOM 1835 C C . GLU A 1 242 ? 5.459 3.888 -0.844 1.00 25.52 ? 583 GLU A C 1 ATOM 1836 O O . GLU A 1 242 ? 4.569 4.509 -0.291 1.00 26.12 ? 583 GLU A O 1 ATOM 1837 C CB . GLU A 1 242 ? 3.878 3.250 -2.597 1.00 26.55 ? 583 GLU A CB 1 ATOM 1838 C CG . GLU A 1 242 ? 3.535 2.964 -4.042 1.00 28.97 ? 583 GLU A CG 1 ATOM 1839 C CD . GLU A 1 242 ? 4.118 3.996 -4.963 1.00 33.75 ? 583 GLU A CD 1 ATOM 1840 O OE1 . GLU A 1 242 ? 4.991 3.607 -5.777 1.00 36.70 ? 583 GLU A OE1 1 ATOM 1841 O OE2 . GLU A 1 242 ? 3.716 5.183 -4.862 1.00 35.01 ? 583 GLU A OE2 1 ATOM 1842 N N . ALA A 1 243 ? 6.529 3.462 -0.196 1.00 25.07 ? 584 ALA A N 1 ATOM 1843 C CA . ALA A 1 243 ? 6.678 3.687 1.243 1.00 24.71 ? 584 ALA A CA 1 ATOM 1844 C C . ALA A 1 243 ? 6.221 5.080 1.736 1.00 24.67 ? 584 ALA A C 1 ATOM 1845 O O . ALA A 1 243 ? 5.456 5.194 2.692 1.00 23.63 ? 584 ALA A O 1 ATOM 1846 C CB . ALA A 1 243 ? 8.112 3.406 1.674 1.00 24.62 ? 584 ALA A CB 1 ATOM 1847 N N . GLN A 1 244 ? 6.667 6.149 1.089 1.00 25.29 ? 585 GLN A N 1 ATOM 1848 C CA . GLN A 1 244 ? 6.293 7.485 1.555 1.00 26.07 ? 585 GLN A CA 1 ATOM 1849 C C . GLN A 1 244 ? 4.771 7.685 1.564 1.00 25.38 ? 585 GLN A C 1 ATOM 1850 O O . GLN A 1 244 ? 4.275 8.668 2.085 1.00 25.38 ? 585 GLN A O 1 ATOM 1851 C CB . GLN A 1 244 ? 6.998 8.562 0.733 1.00 26.57 ? 585 GLN A CB 1 ATOM 1852 C CG . GLN A 1 244 ? 6.779 10.006 1.237 1.00 30.61 ? 585 GLN A CG 1 ATOM 1853 C CD . GLN A 1 244 ? 7.443 10.304 2.586 1.00 33.78 ? 585 GLN A CD 1 ATOM 1854 O OE1 . GLN A 1 244 ? 6.788 10.793 3.520 1.00 35.10 ? 585 GLN A OE1 1 ATOM 1855 N NE2 . GLN A 1 244 ? 8.741 10.026 2.684 1.00 35.87 ? 585 GLN A NE2 1 ATOM 1856 N N . SER A 1 245 ? 4.029 6.722 1.028 1.00 24.61 ? 586 SER A N 1 ATOM 1857 C CA . SER A 1 245 ? 2.571 6.834 0.968 1.00 23.82 ? 586 SER A CA 1 ATOM 1858 C C . SER A 1 245 ? 1.825 5.670 1.652 1.00 23.25 ? 586 SER A C 1 ATOM 1859 O O . SER A 1 245 ? 0.599 5.693 1.751 1.00 22.64 ? 586 SER A O 1 ATOM 1860 C CB . SER A 1 245 ? 2.105 6.985 -0.487 1.00 24.01 ? 586 SER A CB 1 ATOM 1861 O OG . SER A 1 245 ? 1.635 5.761 -1.019 1.00 25.11 ? 586 SER A OG 1 ATOM 1862 N N . CYS A 1 246 ? 2.570 4.685 2.149 1.00 22.42 ? 587 CYS A N 1 ATOM 1863 C CA . CYS A 1 246 ? 2.002 3.492 2.766 1.00 22.02 ? 587 CYS A CA 1 ATOM 1864 C C . CYS A 1 246 ? 2.875 3.084 3.951 1.00 21.54 ? 587 CYS A C 1 ATOM 1865 O O . CYS A 1 246 ? 3.560 2.071 3.890 1.00 21.56 ? 587 CYS A O 1 ATOM 1866 C CB . CYS A 1 246 ? 2.026 2.366 1.724 1.00 21.62 ? 587 CYS A CB 1 ATOM 1867 S SG . CYS A 1 246 ? 1.153 0.853 2.121 1.00 22.16 ? 587 CYS A SG 1 ATOM 1868 N N . HIS A 1 247 ? 2.885 3.875 5.016 1.00 21.33 ? 588 HIS A N 1 ATOM 1869 C CA . HIS A 1 247 ? 3.708 3.553 6.186 1.00 20.51 ? 588 HIS A CA 1 ATOM 1870 C C . HIS A 1 247 ? 2.861 3.664 7.438 1.00 20.40 ? 588 HIS A C 1 ATOM 1871 O O . HIS A 1 247 ? 1.786 4.262 7.403 1.00 20.84 ? 588 HIS A O 1 ATOM 1872 C CB . HIS A 1 247 ? 4.949 4.466 6.263 1.00 20.44 ? 588 HIS A CB 1 ATOM 1873 C CG . HIS A 1 247 ? 4.639 5.939 6.242 1.00 20.46 ? 588 HIS A CG 1 ATOM 1874 N ND1 . HIS A 1 247 ? 4.679 6.693 5.089 1.00 19.33 ? 588 HIS A ND1 1 ATOM 1875 C CD2 . HIS A 1 247 ? 4.312 6.802 7.236 1.00 21.15 ? 588 HIS A CD2 1 ATOM 1876 C CE1 . HIS A 1 247 ? 4.375 7.949 5.365 1.00 18.43 ? 588 HIS A CE1 1 ATOM 1877 N NE2 . HIS A 1 247 ? 4.154 8.047 6.659 1.00 20.07 ? 588 HIS A NE2 1 ATOM 1878 N N . LEU A 1 248 ? 3.320 3.085 8.541 1.00 20.18 ? 589 LEU A N 1 ATOM 1879 C CA . LEU A 1 248 ? 2.573 3.164 9.784 1.00 19.98 ? 589 LEU A CA 1 ATOM 1880 C C . LEU A 1 248 ? 2.968 4.440 10.540 1.00 20.09 ? 589 LEU A C 1 ATOM 1881 O O . LEU A 1 248 ? 2.178 4.999 11.289 1.00 20.14 ? 589 LEU A O 1 ATOM 1882 C CB . LEU A 1 248 ? 2.813 1.912 10.639 1.00 19.93 ? 589 LEU A CB 1 ATOM 1883 C CG . LEU A 1 248 ? 2.580 0.572 9.927 1.00 19.98 ? 589 LEU A CG 1 ATOM 1884 C CD1 . LEU A 1 248 ? 2.805 -0.606 10.853 1.00 18.00 ? 589 LEU A CD1 1 ATOM 1885 C CD2 . LEU A 1 248 ? 1.184 0.526 9.336 1.00 19.51 ? 589 LEU A CD2 1 ATOM 1886 N N . ALA A 1 249 ? 4.193 4.900 10.333 1.00 20.24 ? 590 ALA A N 1 ATOM 1887 C CA . ALA A 1 249 ? 4.670 6.120 10.987 1.00 20.58 ? 590 ALA A CA 1 ATOM 1888 C C . ALA A 1 249 ? 6.096 6.459 10.575 1.00 20.70 ? 590 ALA A C 1 ATOM 1889 O O . ALA A 1 249 ? 6.763 5.672 9.918 1.00 20.40 ? 590 ALA A O 1 ATOM 1890 C CB . ALA A 1 249 ? 4.577 5.992 12.508 1.00 20.16 ? 590 ALA A CB 1 ATOM 1891 N N . VAL A 1 250 ? 6.544 7.650 10.952 1.00 21.74 ? 591 VAL A N 1 ATOM 1892 C CA . VAL A 1 250 ? 7.909 8.073 10.694 1.00 22.49 ? 591 VAL A CA 1 ATOM 1893 C C . VAL A 1 250 ? 8.626 8.015 12.043 1.00 22.23 ? 591 VAL A C 1 ATOM 1894 O O . VAL A 1 250 ? 8.185 8.621 13.009 1.00 22.75 ? 591 VAL A O 1 ATOM 1895 C CB . VAL A 1 250 ? 7.953 9.480 10.066 1.00 23.12 ? 591 VAL A CB 1 ATOM 1896 C CG1 . VAL A 1 250 ? 6.973 10.399 10.768 1.00 25.23 ? 591 VAL A CG1 1 ATOM 1897 C CG2 . VAL A 1 250 ? 9.386 10.066 10.096 1.00 24.17 ? 591 VAL A CG2 1 ATOM 1898 N N . ALA A 1 251 ? 9.698 7.234 12.123 1.00 21.50 ? 592 ALA A N 1 ATOM 1899 C CA . ALA A 1 251 ? 10.417 7.042 13.379 1.00 20.39 ? 592 ALA A CA 1 ATOM 1900 C C . ALA A 1 251 ? 11.612 7.970 13.543 1.00 19.78 ? 592 ALA A C 1 ATOM 1901 O O . ALA A 1 251 ? 12.305 8.253 12.580 1.00 20.58 ? 592 ALA A O 1 ATOM 1902 C CB . ALA A 1 251 ? 10.895 5.598 13.464 1.00 19.95 ? 592 ALA A CB 1 ATOM 1903 N N . PRO A 1 252 ? 11.862 8.448 14.753 1.00 19.13 ? 593 PRO A N 1 ATOM 1904 C CA . PRO A 1 252 ? 13.084 9.216 15.033 1.00 18.67 ? 593 PRO A CA 1 ATOM 1905 C C . PRO A 1 252 ? 14.329 8.316 14.893 1.00 18.45 ? 593 PRO A C 1 ATOM 1906 O O . PRO A 1 252 ? 14.272 7.130 15.202 1.00 18.83 ? 593 PRO A O 1 ATOM 1907 C CB . PRO A 1 252 ? 12.871 9.673 16.476 1.00 18.17 ? 593 PRO A CB 1 ATOM 1908 C CG . PRO A 1 252 ? 11.977 8.674 17.030 1.00 18.07 ? 593 PRO A CG 1 ATOM 1909 C CD . PRO A 1 252 ? 10.989 8.360 15.936 1.00 19.32 ? 593 PRO A CD 1 ATOM 1910 N N . ASN A 1 253 ? 15.434 8.865 14.412 1.00 18.25 ? 594 ASN A N 1 ATOM 1911 C CA . ASN A 1 253 ? 16.612 8.059 14.127 1.00 18.03 ? 594 ASN A CA 1 ATOM 1912 C C . ASN A 1 253 ? 17.206 7.408 15.376 1.00 17.73 ? 594 ASN A C 1 ATOM 1913 O O . ASN A 1 253 ? 17.042 7.911 16.491 1.00 17.72 ? 594 ASN A O 1 ATOM 1914 C CB . ASN A 1 253 ? 17.699 8.896 13.455 1.00 18.26 ? 594 ASN A CB 1 ATOM 1915 C CG . ASN A 1 253 ? 17.408 9.203 12.003 1.00 20.01 ? 594 ASN A CG 1 ATOM 1916 O OD1 . ASN A 1 253 ? 16.729 8.454 11.305 1.00 25.17 ? 594 ASN A OD1 1 ATOM 1917 N ND2 . ASN A 1 253 ? 17.957 10.296 11.529 1.00 20.80 ? 594 ASN A ND2 1 ATOM 1918 N N . HIS A 1 254 ? 17.898 6.290 15.187 1.00 16.50 ? 595 HIS A N 1 ATOM 1919 C CA . HIS A 1 254 ? 18.600 5.685 16.298 1.00 16.05 ? 595 HIS A CA 1 ATOM 1920 C C . HIS A 1 254 ? 19.642 6.729 16.669 1.00 15.99 ? 595 HIS A C 1 ATOM 1921 O O . HIS A 1 254 ? 20.099 7.499 15.807 1.00 16.22 ? 595 HIS A O 1 ATOM 1922 C CB . HIS A 1 254 ? 19.234 4.332 15.909 1.00 15.62 ? 595 HIS A CB 1 ATOM 1923 C CG . HIS A 1 254 ? 18.227 3.237 15.725 1.00 14.97 ? 595 HIS A CG 1 ATOM 1924 N ND1 . HIS A 1 254 ? 18.552 1.900 15.772 1.00 15.42 ? 595 HIS A ND1 1 ATOM 1925 C CD2 . HIS A 1 254 ? 16.894 3.288 15.491 1.00 14.22 ? 595 HIS A CD2 1 ATOM 1926 C CE1 . HIS A 1 254 ? 17.463 1.173 15.584 1.00 14.03 ? 595 HIS A CE1 1 ATOM 1927 N NE2 . HIS A 1 254 ? 16.444 1.993 15.406 1.00 14.69 ? 595 HIS A NE2 1 ATOM 1928 N N . ALA A 1 255 ? 19.978 6.788 17.951 1.00 15.04 ? 596 ALA A N 1 ATOM 1929 C CA . ALA A 1 255 ? 20.937 7.758 18.434 1.00 15.01 ? 596 ALA A CA 1 ATOM 1930 C C . ALA A 1 255 ? 21.734 7.228 19.617 1.00 14.79 ? 596 ALA A C 1 ATOM 1931 O O . ALA A 1 255 ? 21.299 6.328 20.332 1.00 14.77 ? 596 ALA A O 1 ATOM 1932 C CB . ALA A 1 255 ? 20.233 9.060 18.809 1.00 15.06 ? 596 ALA A CB 1 ATOM 1933 N N . VAL A 1 256 ? 22.903 7.816 19.788 1.00 15.03 ? 597 VAL A N 1 ATOM 1934 C CA . VAL A 1 256 ? 23.831 7.522 20.857 1.00 14.99 ? 597 VAL A CA 1 ATOM 1935 C C . VAL A 1 256 ? 23.315 8.253 22.074 1.00 15.93 ? 597 VAL A C 1 ATOM 1936 O O . VAL A 1 256 ? 22.877 9.403 21.977 1.00 15.50 ? 597 VAL A O 1 ATOM 1937 C CB . VAL A 1 256 ? 25.199 8.102 20.485 1.00 14.94 ? 597 VAL A CB 1 ATOM 1938 C CG1 . VAL A 1 256 ? 26.247 7.958 21.631 1.00 14.55 ? 597 VAL A CG1 1 ATOM 1939 C CG2 . VAL A 1 256 ? 25.669 7.490 19.196 1.00 13.43 ? 597 VAL A CG2 1 ATOM 1940 N N . VAL A 1 257 ? 23.329 7.579 23.217 1.00 16.88 ? 598 VAL A N 1 ATOM 1941 C CA . VAL A 1 257 ? 22.933 8.206 24.460 1.00 18.11 ? 598 VAL A CA 1 ATOM 1942 C C . VAL A 1 257 ? 24.049 7.995 25.467 1.00 19.40 ? 598 VAL A C 1 ATOM 1943 O O . VAL A 1 257 ? 24.899 7.111 25.296 1.00 19.96 ? 598 VAL A O 1 ATOM 1944 C CB . VAL A 1 257 ? 21.602 7.636 25.038 1.00 18.31 ? 598 VAL A CB 1 ATOM 1945 C CG1 . VAL A 1 257 ? 20.446 7.788 24.047 1.00 16.84 ? 598 VAL A CG1 1 ATOM 1946 C CG2 . VAL A 1 257 ? 21.772 6.197 25.459 1.00 18.14 ? 598 VAL A CG2 1 ATOM 1947 N N . SER A 1 258 ? 24.073 8.830 26.502 1.00 20.09 ? 599 SER A N 1 ATOM 1948 C CA . SER A 1 258 ? 25.073 8.700 27.556 1.00 20.50 ? 599 SER A CA 1 ATOM 1949 C C . SER A 1 258 ? 24.543 9.401 28.795 1.00 19.98 ? 599 SER A C 1 ATOM 1950 O O . SER A 1 258 ? 23.513 10.049 28.715 1.00 19.05 ? 599 SER A O 1 ATOM 1951 C CB . SER A 1 258 ? 26.412 9.285 27.105 1.00 20.52 ? 599 SER A CB 1 ATOM 1952 O OG . SER A 1 258 ? 26.424 10.698 27.210 1.00 22.33 ? 599 SER A OG 1 ATOM 1953 N N . ARG A 1 259 ? 25.190 9.229 29.946 1.00 20.69 ? 600 ARG A N 1 ATOM 1954 C CA . ARG A 1 259 ? 24.750 9.984 31.115 1.00 21.71 ? 600 ARG A CA 1 ATOM 1955 C C . ARG A 1 259 ? 24.993 11.412 30.750 1.00 22.24 ? 600 ARG A C 1 ATOM 1956 O O . ARG A 1 259 ? 25.913 11.732 29.994 1.00 22.72 ? 600 ARG A O 1 ATOM 1957 C CB . ARG A 1 259 ? 25.516 9.627 32.402 1.00 21.65 ? 600 ARG A CB 1 ATOM 1958 C CG . ARG A 1 259 ? 25.118 8.300 33.051 1.00 21.81 ? 600 ARG A CG 1 ATOM 1959 C CD . ARG A 1 259 ? 25.298 8.201 34.591 1.00 22.63 ? 600 ARG A CD 1 ATOM 1960 N NE . ARG A 1 259 ? 26.419 8.982 35.144 1.00 21.18 ? 600 ARG A NE 1 ATOM 1961 C CZ . ARG A 1 259 ? 27.182 8.598 36.179 1.00 19.99 ? 600 ARG A CZ 1 ATOM 1962 N NH1 . ARG A 1 259 ? 26.983 7.423 36.789 1.00 15.05 ? 600 ARG A NH1 1 ATOM 1963 N NH2 . ARG A 1 259 ? 28.156 9.396 36.601 1.00 17.73 ? 600 ARG A NH2 1 ATOM 1964 N N . SER A 1 260 ? 24.156 12.285 31.277 1.00 23.12 ? 601 SER A N 1 ATOM 1965 C CA . SER A 1 260 ? 24.296 13.696 30.968 1.00 24.04 ? 601 SER A CA 1 ATOM 1966 C C . SER A 1 260 ? 25.667 14.270 31.318 1.00 24.20 ? 601 SER A C 1 ATOM 1967 O O . SER A 1 260 ? 26.191 15.131 30.601 1.00 24.45 ? 601 SER A O 1 ATOM 1968 C CB . SER A 1 260 ? 23.225 14.505 31.672 1.00 24.08 ? 601 SER A CB 1 ATOM 1969 O OG . SER A 1 260 ? 23.650 15.847 31.712 1.00 25.19 ? 601 SER A OG 1 ATOM 1970 N N . ASP A 1 261 ? 26.237 13.817 32.427 1.00 24.35 ? 602 ASP A N 1 ATOM 1971 C CA . ASP A 1 261 ? 27.547 14.316 32.861 1.00 24.83 ? 602 ASP A CA 1 ATOM 1972 C C . ASP A 1 261 ? 28.722 13.799 32.008 1.00 24.73 ? 602 ASP A C 1 ATOM 1973 O O . ASP A 1 261 ? 29.857 14.215 32.196 1.00 24.62 ? 602 ASP A O 1 ATOM 1974 C CB . ASP A 1 261 ? 27.773 14.042 34.362 1.00 24.79 ? 602 ASP A CB 1 ATOM 1975 C CG . ASP A 1 261 ? 27.463 12.586 34.758 1.00 26.32 ? 602 ASP A CG 1 ATOM 1976 O OD1 . ASP A 1 261 ? 26.315 12.135 34.572 1.00 27.81 ? 602 ASP A OD1 1 ATOM 1977 O OD2 . ASP A 1 261 ? 28.302 11.820 35.267 1.00 26.89 ? 602 ASP A OD2 1 ATOM 1978 N N . ARG A 1 262 ? 28.445 12.905 31.063 1.00 24.62 ? 603 ARG A N 1 ATOM 1979 C CA . ARG A 1 262 ? 29.489 12.363 30.194 1.00 24.41 ? 603 ARG A CA 1 ATOM 1980 C C . ARG A 1 262 ? 29.317 12.782 28.747 1.00 23.36 ? 603 ARG A C 1 ATOM 1981 O O . ARG A 1 262 ? 30.139 12.454 27.892 1.00 22.72 ? 603 ARG A O 1 ATOM 1982 C CB . ARG A 1 262 ? 29.443 10.825 30.226 1.00 24.79 ? 603 ARG A CB 1 ATOM 1983 C CG . ARG A 1 262 ? 29.895 10.242 31.521 1.00 26.91 ? 603 ARG A CG 1 ATOM 1984 C CD . ARG A 1 262 ? 31.299 10.636 31.886 1.00 30.46 ? 603 ARG A CD 1 ATOM 1985 N NE . ARG A 1 262 ? 32.339 9.763 31.339 1.00 34.65 ? 603 ARG A NE 1 ATOM 1986 C CZ . ARG A 1 262 ? 33.548 10.214 31.025 1.00 36.30 ? 603 ARG A CZ 1 ATOM 1987 N NH1 . ARG A 1 262 ? 33.827 11.503 31.183 1.00 35.99 ? 603 ARG A NH1 1 ATOM 1988 N NH2 . ARG A 1 262 ? 34.476 9.399 30.558 1.00 38.70 ? 603 ARG A NH2 1 ATOM 1989 N N . ALA A 1 263 ? 28.244 13.514 28.490 1.00 22.98 ? 604 ALA A N 1 ATOM 1990 C CA . ALA A 1 263 ? 27.805 13.813 27.140 1.00 22.65 ? 604 ALA A CA 1 ATOM 1991 C C . ALA A 1 263 ? 28.823 14.549 26.304 1.00 22.79 ? 604 ALA A C 1 ATOM 1992 O O . ALA A 1 263 ? 29.041 14.222 25.141 1.00 22.88 ? 604 ALA A O 1 ATOM 1993 C CB . ALA A 1 263 ? 26.459 14.552 27.178 1.00 23.01 ? 604 ALA A CB 1 ATOM 1994 N N . ALA A 1 264 ? 29.474 15.529 26.907 1.00 23.15 ? 605 ALA A N 1 ATOM 1995 C CA . ALA A 1 264 ? 30.435 16.347 26.195 1.00 23.52 ? 605 ALA A CA 1 ATOM 1996 C C . ALA A 1 264 ? 31.643 15.553 25.788 1.00 24.03 ? 605 ALA A C 1 ATOM 1997 O O . ALA A 1 264 ? 32.211 15.753 24.718 1.00 23.60 ? 605 ALA A O 1 ATOM 1998 C CB . ALA A 1 264 ? 30.858 17.513 27.063 1.00 23.58 ? 605 ALA A CB 1 ATOM 1999 N N . HIS A 1 265 ? 32.081 14.690 26.673 1.00 25.20 ? 606 HIS A N 1 ATOM 2000 C CA . HIS A 1 265 ? 33.233 13.840 26.451 1.00 26.46 ? 606 HIS A CA 1 ATOM 2001 C C . HIS A 1 265 ? 32.937 12.757 25.425 1.00 26.03 ? 606 HIS A C 1 ATOM 2002 O O . HIS A 1 265 ? 33.756 12.454 24.544 1.00 26.15 ? 606 HIS A O 1 ATOM 2003 C CB . HIS A 1 265 ? 33.599 13.255 27.781 1.00 27.39 ? 606 HIS A CB 1 ATOM 2004 C CG . HIS A 1 265 ? 34.774 12.260 27.832 1.00 31.83 ? 606 HIS A CG 1 ATOM 2005 N ND1 . HIS A 1 265 ? 34.593 10.893 27.750 1.00 34.80 ? 606 HIS A ND1 1 ATOM 2006 C CD2 . HIS A 1 265 ? 36.104 12.456 28.002 1.00 34.44 ? 606 HIS A CD2 1 ATOM 2007 C CE1 . HIS A 1 265 ? 35.764 10.289 27.854 1.00 35.99 ? 606 HIS A CE1 1 ATOM 2008 N NE2 . HIS A 1 265 ? 36.696 11.213 28.014 1.00 36.67 ? 606 HIS A NE2 1 ATOM 2009 N N . VAL A 1 266 ? 31.757 12.168 25.541 1.00 25.43 ? 607 VAL A N 1 ATOM 2010 C CA . VAL A 1 266 ? 31.349 11.170 24.576 1.00 24.88 ? 607 VAL A CA 1 ATOM 2011 C C . VAL A 1 266 ? 31.225 11.794 23.188 1.00 25.09 ? 607 VAL A C 1 ATOM 2012 O O . VAL A 1 266 ? 31.601 11.195 22.192 1.00 24.15 ? 607 VAL A O 1 ATOM 2013 C CB . VAL A 1 266 ? 30.016 10.519 24.981 1.00 24.76 ? 607 VAL A CB 1 ATOM 2014 C CG1 . VAL A 1 266 ? 29.498 9.604 23.866 1.00 22.96 ? 607 VAL A CG1 1 ATOM 2015 C CG2 . VAL A 1 266 ? 30.192 9.752 26.278 1.00 23.83 ? 607 VAL A CG2 1 ATOM 2016 N N . GLU A 1 267 ? 30.712 13.016 23.128 1.00 26.21 ? 608 GLU A N 1 ATOM 2017 C CA . GLU A 1 267 ? 30.491 13.653 21.840 1.00 27.19 ? 608 GLU A CA 1 ATOM 2018 C C . GLU A 1 267 ? 31.814 13.875 21.133 1.00 27.36 ? 608 GLU A C 1 ATOM 2019 O O . GLU A 1 267 ? 31.969 13.523 19.968 1.00 27.21 ? 608 GLU A O 1 ATOM 2020 C CB . GLU A 1 267 ? 29.736 14.971 22.012 1.00 27.57 ? 608 GLU A CB 1 ATOM 2021 C CG . GLU A 1 267 ? 29.258 15.608 20.718 1.00 30.13 ? 608 GLU A CG 1 ATOM 2022 C CD . GLU A 1 267 ? 28.483 16.890 20.965 1.00 34.77 ? 608 GLU A CD 1 ATOM 2023 O OE1 . GLU A 1 267 ? 27.842 16.986 22.033 1.00 36.64 ? 608 GLU A OE1 1 ATOM 2024 O OE2 . GLU A 1 267 ? 28.519 17.807 20.108 1.00 36.74 ? 608 GLU A OE2 1 ATOM 2025 N N . GLN A 1 268 ? 32.776 14.426 21.862 1.00 27.74 ? 609 GLN A N 1 ATOM 2026 C CA . GLN A 1 268 ? 34.075 14.765 21.300 1.00 28.55 ? 609 GLN A CA 1 ATOM 2027 C C . GLN A 1 268 ? 34.822 13.571 20.688 1.00 28.18 ? 609 GLN A C 1 ATOM 2028 O O . GLN A 1 268 ? 35.310 13.629 19.553 1.00 28.04 ? 609 GLN A O 1 ATOM 2029 C CB . GLN A 1 268 ? 34.928 15.469 22.356 1.00 28.81 ? 609 GLN A CB 1 ATOM 2030 C CG . GLN A 1 268 ? 36.312 15.873 21.875 1.00 32.72 ? 609 GLN A CG 1 ATOM 2031 C CD . GLN A 1 268 ? 37.365 14.803 22.138 1.00 37.39 ? 609 GLN A CD 1 ATOM 2032 O OE1 . GLN A 1 268 ? 37.551 13.887 21.318 1.00 39.48 ? 609 GLN A OE1 1 ATOM 2033 N NE2 . GLN A 1 268 ? 38.059 14.912 23.283 1.00 37.88 ? 609 GLN A NE2 1 ATOM 2034 N N . VAL A 1 269 ? 34.909 12.488 21.443 1.00 28.02 ? 610 VAL A N 1 ATOM 2035 C CA . VAL A 1 269 ? 35.630 11.311 20.995 1.00 27.48 ? 610 VAL A CA 1 ATOM 2036 C C . VAL A 1 269 ? 34.979 10.682 19.772 1.00 27.44 ? 610 VAL A C 1 ATOM 2037 O O . VAL A 1 269 ? 35.669 10.296 18.827 1.00 27.31 ? 610 VAL A O 1 ATOM 2038 C CB . VAL A 1 269 ? 35.790 10.304 22.143 1.00 27.47 ? 610 VAL A CB 1 ATOM 2039 C CG1 . VAL A 1 269 ? 36.112 8.907 21.622 1.00 26.93 ? 610 VAL A CG1 1 ATOM 2040 C CG2 . VAL A 1 269 ? 36.865 10.799 23.071 1.00 27.24 ? 610 VAL A CG2 1 ATOM 2041 N N . LEU A 1 270 ? 33.656 10.624 19.754 1.00 27.41 ? 611 LEU A N 1 ATOM 2042 C CA . LEU A 1 270 ? 32.987 9.980 18.632 1.00 28.07 ? 611 LEU A CA 1 ATOM 2043 C C . LEU A 1 270 ? 33.137 10.767 17.343 1.00 28.50 ? 611 LEU A C 1 ATOM 2044 O O . LEU A 1 270 ? 33.384 10.178 16.293 1.00 28.53 ? 611 LEU A O 1 ATOM 2045 C CB . LEU A 1 270 ? 31.527 9.666 18.947 1.00 28.04 ? 611 LEU A CB 1 ATOM 2046 C CG . LEU A 1 270 ? 31.303 8.306 19.594 1.00 27.88 ? 611 LEU A CG 1 ATOM 2047 C CD1 . LEU A 1 270 ? 29.923 8.293 20.168 1.00 29.78 ? 611 LEU A CD1 1 ATOM 2048 C CD2 . LEU A 1 270 ? 31.471 7.163 18.587 1.00 29.05 ? 611 LEU A CD2 1 ATOM 2049 N N . LEU A 1 271 ? 32.987 12.089 17.426 1.00 28.74 ? 612 LEU A N 1 ATOM 2050 C CA . LEU A 1 271 ? 33.244 12.958 16.280 1.00 29.22 ? 612 LEU A CA 1 ATOM 2051 C C . LEU A 1 271 ? 34.618 12.625 15.696 1.00 29.58 ? 612 LEU A C 1 ATOM 2052 O O . LEU A 1 271 ? 34.748 12.427 14.487 1.00 29.99 ? 612 LEU A O 1 ATOM 2053 C CB . LEU A 1 271 ? 33.153 14.441 16.664 1.00 28.85 ? 612 LEU A CB 1 ATOM 2054 C CG . LEU A 1 271 ? 31.749 15.018 16.903 1.00 28.94 ? 612 LEU A CG 1 ATOM 2055 C CD1 . LEU A 1 271 ? 31.799 16.477 17.396 1.00 27.54 ? 612 LEU A CD1 1 ATOM 2056 C CD2 . LEU A 1 271 ? 30.874 14.883 15.651 1.00 27.91 ? 612 LEU A CD2 1 ATOM 2057 N N . HIS A 1 272 ? 35.627 12.514 16.559 1.00 30.28 ? 613 HIS A N 1 ATOM 2058 C CA . HIS A 1 272 ? 36.985 12.148 16.127 1.00 31.13 ? 613 HIS A CA 1 ATOM 2059 C C . HIS A 1 272 ? 37.006 10.740 15.545 1.00 30.81 ? 613 HIS A C 1 ATOM 2060 O O . HIS A 1 272 ? 37.585 10.506 14.494 1.00 31.52 ? 613 HIS A O 1 ATOM 2061 C CB . HIS A 1 272 ? 37.981 12.244 17.295 1.00 31.60 ? 613 HIS A CB 1 ATOM 2062 C CG . HIS A 1 272 ? 39.407 11.955 16.914 1.00 35.02 ? 613 HIS A CG 1 ATOM 2063 N ND1 . HIS A 1 272 ? 40.008 12.488 15.788 1.00 37.48 ? 613 HIS A ND1 1 ATOM 2064 C CD2 . HIS A 1 272 ? 40.355 11.196 17.519 1.00 36.81 ? 613 HIS A CD2 1 ATOM 2065 C CE1 . HIS A 1 272 ? 41.258 12.060 15.711 1.00 37.68 ? 613 HIS A CE1 1 ATOM 2066 N NE2 . HIS A 1 272 ? 41.495 11.277 16.752 1.00 38.14 ? 613 HIS A NE2 1 ATOM 2067 N N . GLN A 1 273 ? 36.364 9.805 16.229 1.00 30.13 ? 614 GLN A N 1 ATOM 2068 C CA . GLN A 1 273 ? 36.297 8.430 15.755 1.00 29.65 ? 614 GLN A CA 1 ATOM 2069 C C . GLN A 1 273 ? 35.677 8.271 14.357 1.00 29.98 ? 614 GLN A C 1 ATOM 2070 O O . GLN A 1 273 ? 36.153 7.458 13.572 1.00 30.08 ? 614 GLN A O 1 ATOM 2071 C CB . GLN A 1 273 ? 35.560 7.548 16.770 1.00 29.39 ? 614 GLN A CB 1 ATOM 2072 C CG . GLN A 1 273 ? 36.348 7.287 18.016 1.00 27.78 ? 614 GLN A CG 1 ATOM 2073 C CD . GLN A 1 273 ? 37.629 6.518 17.741 1.00 26.85 ? 614 GLN A CD 1 ATOM 2074 O OE1 . GLN A 1 273 ? 37.611 5.455 17.099 1.00 23.93 ? 614 GLN A OE1 1 ATOM 2075 N NE2 . GLN A 1 273 ? 38.743 7.045 18.230 1.00 27.17 ? 614 GLN A NE2 1 ATOM 2076 N N . GLN A 1 274 ? 34.613 9.006 14.043 1.00 29.98 ? 615 GLN A N 1 ATOM 2077 C CA . GLN A 1 274 ? 34.058 8.894 12.697 1.00 30.43 ? 615 GLN A CA 1 ATOM 2078 C C . GLN A 1 274 ? 34.998 9.537 11.657 1.00 31.00 ? 615 GLN A C 1 ATOM 2079 O O . GLN A 1 274 ? 35.118 9.053 10.536 1.00 30.96 ? 615 GLN A O 1 ATOM 2080 C CB . GLN A 1 274 ? 32.597 9.372 12.596 1.00 29.94 ? 615 GLN A CB 1 ATOM 2081 C CG . GLN A 1 274 ? 32.329 10.868 12.579 1.00 29.50 ? 615 GLN A CG 1 ATOM 2082 C CD . GLN A 1 274 ? 30.832 11.171 12.382 1.00 28.96 ? 615 GLN A CD 1 ATOM 2083 O OE1 . GLN A 1 274 ? 30.069 10.287 11.970 1.00 28.95 ? 615 GLN A OE1 1 ATOM 2084 N NE2 . GLN A 1 274 ? 30.415 12.403 12.685 1.00 26.29 ? 615 GLN A NE2 1 ATOM 2085 N N . ALA A 1 275 ? 35.698 10.600 12.039 1.00 31.28 ? 616 ALA A N 1 ATOM 2086 C CA . ALA A 1 275 ? 36.665 11.177 11.115 1.00 31.51 ? 616 ALA A CA 1 ATOM 2087 C C . ALA A 1 275 ? 37.579 10.051 10.662 1.00 31.70 ? 616 ALA A C 1 ATOM 2088 O O . ALA A 1 275 ? 37.951 9.982 9.494 1.00 32.53 ? 616 ALA A O 1 ATOM 2089 C CB . ALA A 1 275 ? 37.475 12.296 11.776 1.00 31.21 ? 616 ALA A CB 1 ATOM 2090 N N . LEU A 1 276 ? 37.904 9.147 11.585 1.00 31.42 ? 617 LEU A N 1 ATOM 2091 C CA . LEU A 1 276 ? 38.836 8.053 11.326 1.00 31.16 ? 617 LEU A CA 1 ATOM 2092 C C . LEU A 1 276 ? 38.262 6.778 10.686 1.00 31.28 ? 617 LEU A C 1 ATOM 2093 O O . LEU A 1 276 ? 38.922 6.154 9.853 1.00 31.30 ? 617 LEU A O 1 ATOM 2094 C CB . LEU A 1 276 ? 39.530 7.637 12.630 1.00 30.99 ? 617 LEU A CB 1 ATOM 2095 C CG . LEU A 1 276 ? 40.521 8.565 13.352 1.00 31.05 ? 617 LEU A CG 1 ATOM 2096 C CD1 . LEU A 1 276 ? 41.066 7.888 14.617 1.00 29.44 ? 617 LEU A CD1 1 ATOM 2097 C CD2 . LEU A 1 276 ? 41.678 9.023 12.448 1.00 29.81 ? 617 LEU A CD2 1 ATOM 2098 N N . PHE A 1 277 ? 37.065 6.368 11.089 1.00 30.93 ? 618 PHE A N 1 ATOM 2099 C CA . PHE A 1 277 ? 36.518 5.093 10.631 1.00 30.95 ? 618 PHE A CA 1 ATOM 2100 C C . PHE A 1 277 ? 35.115 5.223 10.045 1.00 31.70 ? 618 PHE A C 1 ATOM 2101 O O . PHE A 1 277 ? 34.436 4.237 9.801 1.00 30.86 ? 618 PHE A O 1 ATOM 2102 C CB . PHE A 1 277 ? 36.496 4.079 11.774 1.00 30.85 ? 618 PHE A CB 1 ATOM 2103 C CG . PHE A 1 277 ? 37.807 3.936 12.500 1.00 28.85 ? 618 PHE A CG 1 ATOM 2104 C CD1 . PHE A 1 277 ? 38.879 3.299 11.906 1.00 27.41 ? 618 PHE A CD1 1 ATOM 2105 C CD2 . PHE A 1 277 ? 37.952 4.416 13.793 1.00 27.72 ? 618 PHE A CD2 1 ATOM 2106 C CE1 . PHE A 1 277 ? 40.075 3.150 12.583 1.00 26.07 ? 618 PHE A CE1 1 ATOM 2107 C CE2 . PHE A 1 277 ? 39.155 4.268 14.485 1.00 25.28 ? 618 PHE A CE2 1 ATOM 2108 C CZ . PHE A 1 277 ? 40.212 3.639 13.874 1.00 26.01 ? 618 PHE A CZ 1 ATOM 2109 N N . GLY A 1 278 ? 34.694 6.456 9.815 1.00 33.26 ? 619 GLY A N 1 ATOM 2110 C CA . GLY A 1 278 ? 33.398 6.717 9.224 1.00 35.55 ? 619 GLY A CA 1 ATOM 2111 C C . GLY A 1 278 ? 33.324 6.510 7.720 1.00 37.09 ? 619 GLY A C 1 ATOM 2112 O O . GLY A 1 278 ? 34.266 6.024 7.082 1.00 36.90 ? 619 GLY A O 1 ATOM 2113 N N . LYS A 1 279 ? 32.179 6.902 7.165 1.00 38.85 ? 620 LYS A N 1 ATOM 2114 C CA . LYS A 1 279 ? 31.845 6.703 5.758 1.00 40.64 ? 620 LYS A CA 1 ATOM 2115 C C . LYS A 1 279 ? 32.957 7.086 4.783 1.00 41.47 ? 620 LYS A C 1 ATOM 2116 O O . LYS A 1 279 ? 33.248 6.337 3.840 1.00 41.70 ? 620 LYS A O 1 ATOM 2117 C CB . LYS A 1 279 ? 30.535 7.417 5.427 1.00 40.98 ? 620 LYS A CB 1 ATOM 2118 C CG . LYS A 1 279 ? 30.335 7.749 3.970 1.00 42.83 ? 620 LYS A CG 1 ATOM 2119 C CD . LYS A 1 279 ? 29.617 6.643 3.227 1.00 46.71 ? 620 LYS A CD 1 ATOM 2120 C CE . LYS A 1 279 ? 28.874 7.233 2.031 1.00 47.87 ? 620 LYS A CE 1 ATOM 2121 N NZ . LYS A 1 279 ? 28.728 6.258 0.913 1.00 49.45 ? 620 LYS A NZ 1 ATOM 2122 N N . ASN A 1 280 ? 33.589 8.235 4.996 1.00 41.95 ? 621 ASN A N 1 ATOM 2123 C CA . ASN A 1 280 ? 34.708 8.592 4.127 1.00 42.91 ? 621 ASN A CA 1 ATOM 2124 C C . ASN A 1 280 ? 36.051 8.612 4.847 1.00 42.75 ? 621 ASN A C 1 ATOM 2125 O O . ASN A 1 280 ? 37.064 8.971 4.266 1.00 43.00 ? 621 ASN A O 1 ATOM 2126 C CB . ASN A 1 280 ? 34.447 9.914 3.412 1.00 43.50 ? 621 ASN A CB 1 ATOM 2127 C CG . ASN A 1 280 ? 33.701 9.725 2.105 1.00 45.44 ? 621 ASN A CG 1 ATOM 2128 O OD1 . ASN A 1 280 ? 33.345 10.702 1.436 1.00 48.50 ? 621 ASN A OD1 1 ATOM 2129 N ND2 . ASN A 1 280 ? 33.465 8.464 1.729 1.00 46.04 ? 621 ASN A ND2 1 ATOM 2130 N N . GLY A 1 281 ? 36.035 8.188 6.106 1.00 42.60 ? 622 GLY A N 1 ATOM 2131 C CA . GLY A 1 281 ? 37.183 8.207 6.996 1.00 42.26 ? 622 GLY A CA 1 ATOM 2132 C C . GLY A 1 281 ? 38.581 7.847 6.521 1.00 42.14 ? 622 GLY A C 1 ATOM 2133 O O . GLY A 1 281 ? 38.774 7.040 5.601 1.00 41.61 ? 622 GLY A O 1 ATOM 2134 N N . LYS A 1 282 ? 39.555 8.455 7.202 1.00 41.94 ? 623 LYS A N 1 ATOM 2135 C CA . LYS A 1 282 ? 40.980 8.269 6.946 1.00 41.87 ? 623 LYS A CA 1 ATOM 2136 C C . LYS A 1 282 ? 41.332 6.820 6.780 1.00 41.56 ? 623 LYS A C 1 ATOM 2137 O O . LYS A 1 282 ? 42.161 6.463 5.957 1.00 41.37 ? 623 LYS A O 1 ATOM 2138 C CB . LYS A 1 282 ? 41.797 8.791 8.126 1.00 41.90 ? 623 LYS A CB 1 ATOM 2139 C CG . LYS A 1 282 ? 42.361 10.178 7.960 1.00 42.89 ? 623 LYS A CG 1 ATOM 2140 C CD . LYS A 1 282 ? 41.270 11.224 7.875 1.00 45.15 ? 623 LYS A CD 1 ATOM 2141 C CE . LYS A 1 282 ? 41.870 12.633 7.854 1.00 46.46 ? 623 LYS A CE 1 ATOM 2142 N NZ . LYS A 1 282 ? 40.972 13.644 7.198 1.00 46.09 ? 623 LYS A NZ 1 ATOM 2143 N N . ASN A 1 283 ? 40.728 5.978 7.598 1.00 41.66 ? 624 ASN A N 1 ATOM 2144 C CA . ASN A 1 283 ? 41.039 4.572 7.512 1.00 41.81 ? 624 ASN A CA 1 ATOM 2145 C C . ASN A 1 283 ? 39.932 3.733 6.928 1.00 41.61 ? 624 ASN A C 1 ATOM 2146 O O . ASN A 1 283 ? 39.931 2.522 7.141 1.00 41.43 ? 624 ASN A O 1 ATOM 2147 C CB . ASN A 1 283 ? 41.453 4.044 8.878 1.00 41.76 ? 624 ASN A CB 1 ATOM 2148 C CG . ASN A 1 283 ? 42.813 4.546 9.280 1.00 43.19 ? 624 ASN A CG 1 ATOM 2149 O OD1 . ASN A 1 283 ? 43.787 4.342 8.553 1.00 44.30 ? 624 ASN A OD1 1 ATOM 2150 N ND2 . ASN A 1 283 ? 42.891 5.240 10.413 1.00 42.88 ? 624 ASN A ND2 1 ATOM 2151 N N . CYS A 1 284 ? 39.058 4.314 6.101 1.00 42.02 ? 625 CYS A N 1 ATOM 2152 C CA . CYS A 1 284 ? 37.852 3.543 5.848 1.00 41.93 ? 625 CYS A CA 1 ATOM 2153 C C . CYS A 1 284 ? 37.179 2.693 4.811 1.00 43.35 ? 625 CYS A C 1 ATOM 2154 O O . CYS A 1 284 ? 35.957 2.831 4.688 1.00 44.50 ? 625 CYS A O 1 ATOM 2155 C CB . CYS A 1 284 ? 36.746 3.763 6.872 1.00 41.27 ? 625 CYS A CB 1 ATOM 2156 S SG . CYS A 1 284 ? 35.208 2.954 6.244 1.00 36.34 ? 625 CYS A SG 1 ATOM 2157 N N . PRO A 1 285 ? 37.850 1.992 3.942 1.00 43.62 ? 626 PRO A N 1 ATOM 2158 C CA . PRO A 1 285 ? 37.736 0.554 4.100 1.00 43.70 ? 626 PRO A CA 1 ATOM 2159 C C . PRO A 1 285 ? 39.124 -0.097 4.300 1.00 44.03 ? 626 PRO A C 1 ATOM 2160 O O . PRO A 1 285 ? 39.173 -1.319 4.362 1.00 44.07 ? 626 PRO A O 1 ATOM 2161 C CB . PRO A 1 285 ? 37.050 0.098 2.825 1.00 43.73 ? 626 PRO A CB 1 ATOM 2162 C CG . PRO A 1 285 ? 36.853 1.350 2.036 1.00 43.73 ? 626 PRO A CG 1 ATOM 2163 C CD . PRO A 1 285 ? 37.953 2.324 2.516 1.00 43.92 ? 626 PRO A CD 1 ATOM 2164 N N . ASP A 1 286 ? 40.209 0.673 4.441 1.00 44.05 ? 627 ASP A N 1 ATOM 2165 C CA . ASP A 1 286 ? 41.544 0.057 4.527 1.00 44.09 ? 627 ASP A CA 1 ATOM 2166 C C . ASP A 1 286 ? 41.753 -0.776 5.780 1.00 43.57 ? 627 ASP A C 1 ATOM 2167 O O . ASP A 1 286 ? 42.071 -1.966 5.702 1.00 43.75 ? 627 ASP A O 1 ATOM 2168 C CB . ASP A 1 286 ? 42.685 1.082 4.405 1.00 44.61 ? 627 ASP A CB 1 ATOM 2169 C CG . ASP A 1 286 ? 42.501 2.021 3.237 1.00 46.37 ? 627 ASP A CG 1 ATOM 2170 O OD1 . ASP A 1 286 ? 42.647 1.574 2.076 1.00 47.99 ? 627 ASP A OD1 1 ATOM 2171 O OD2 . ASP A 1 286 ? 42.198 3.226 3.394 1.00 48.35 ? 627 ASP A OD2 1 ATOM 2172 N N . LYS A 1 287 ? 41.589 -0.149 6.937 1.00 42.77 ? 628 LYS A N 1 ATOM 2173 C CA . LYS A 1 287 ? 41.831 -0.844 8.187 1.00 41.66 ? 628 LYS A CA 1 ATOM 2174 C C . LYS A 1 287 ? 40.554 -1.159 8.948 1.00 40.71 ? 628 LYS A C 1 ATOM 2175 O O . LYS A 1 287 ? 40.422 -2.254 9.494 1.00 41.01 ? 628 LYS A O 1 ATOM 2176 C CB . LYS A 1 287 ? 42.768 -0.036 9.086 1.00 41.92 ? 628 LYS A CB 1 ATOM 2177 C CG . LYS A 1 287 ? 44.049 0.425 8.423 1.00 42.75 ? 628 LYS A CG 1 ATOM 2178 C CD . LYS A 1 287 ? 45.035 0.975 9.467 1.00 45.58 ? 628 LYS A CD 1 ATOM 2179 C CE . LYS A 1 287 ? 45.688 -0.147 10.293 1.00 47.01 ? 628 LYS A CE 1 ATOM 2180 N NZ . LYS A 1 287 ? 46.446 0.344 11.507 1.00 46.99 ? 628 LYS A NZ 1 ATOM 2181 N N . PHE A 1 288 ? 39.619 -0.210 9.003 1.00 39.22 ? 629 PHE A N 1 ATOM 2182 C CA . PHE A 1 288 ? 38.382 -0.447 9.753 1.00 37.37 ? 629 PHE A CA 1 ATOM 2183 C C . PHE A 1 288 ? 37.231 0.535 9.440 1.00 36.56 ? 629 PHE A C 1 ATOM 2184 O O . PHE A 1 288 ? 37.435 1.745 9.304 1.00 36.35 ? 629 PHE A O 1 ATOM 2185 C CB . PHE A 1 288 ? 38.683 -0.505 11.262 1.00 36.73 ? 629 PHE A CB 1 ATOM 2186 C CG . PHE A 1 288 ? 37.496 -0.873 12.096 1.00 36.34 ? 629 PHE A CG 1 ATOM 2187 C CD1 . PHE A 1 288 ? 36.950 -2.156 12.039 1.00 35.66 ? 629 PHE A CD1 1 ATOM 2188 C CD2 . PHE A 1 288 ? 36.896 0.067 12.916 1.00 34.04 ? 629 PHE A CD2 1 ATOM 2189 C CE1 . PHE A 1 288 ? 35.833 -2.476 12.800 1.00 34.92 ? 629 PHE A CE1 1 ATOM 2190 C CE2 . PHE A 1 288 ? 35.790 -0.253 13.661 1.00 33.18 ? 629 PHE A CE2 1 ATOM 2191 C CZ . PHE A 1 288 ? 35.255 -1.519 13.610 1.00 32.88 ? 629 PHE A CZ 1 ATOM 2192 N N . CYS A 1 289 ? 36.018 -0.010 9.342 1.00 35.36 ? 630 CYS A N 1 ATOM 2193 C CA . CYS A 1 289 ? 34.811 0.774 9.084 1.00 34.25 ? 630 CYS A CA 1 ATOM 2194 C C . CYS A 1 289 ? 33.774 0.606 10.208 1.00 33.44 ? 630 CYS A C 1 ATOM 2195 O O . CYS A 1 289 ? 33.185 -0.465 10.381 1.00 32.57 ? 630 CYS A O 1 ATOM 2196 C CB . CYS A 1 289 ? 34.192 0.388 7.730 1.00 34.34 ? 630 CYS A CB 1 ATOM 2197 S SG . CYS A 1 289 ? 35.101 0.936 6.246 1.00 35.14 ? 630 CYS A SG 1 ATOM 2198 N N . LEU A 1 290 ? 33.548 1.682 10.955 1.00 32.50 ? 631 LEU A N 1 ATOM 2199 C CA . LEU A 1 290 ? 32.592 1.686 12.054 1.00 31.70 ? 631 LEU A CA 1 ATOM 2200 C C . LEU A 1 290 ? 31.175 1.380 11.585 1.00 31.45 ? 631 LEU A C 1 ATOM 2201 O O . LEU A 1 290 ? 30.365 0.847 12.338 1.00 30.91 ? 631 LEU A O 1 ATOM 2202 C CB . LEU A 1 290 ? 32.620 3.053 12.747 1.00 31.81 ? 631 LEU A CB 1 ATOM 2203 C CG . LEU A 1 290 ? 32.044 3.206 14.161 1.00 32.00 ? 631 LEU A CG 1 ATOM 2204 C CD1 . LEU A 1 290 ? 32.601 2.141 15.094 1.00 30.58 ? 631 LEU A CD1 1 ATOM 2205 C CD2 . LEU A 1 290 ? 32.313 4.612 14.719 1.00 31.26 ? 631 LEU A CD2 1 ATOM 2206 N N . PHE A 1 291 ? 30.871 1.711 10.337 1.00 31.45 ? 632 PHE A N 1 ATOM 2207 C CA . PHE A 1 291 ? 29.509 1.563 9.855 1.00 31.87 ? 632 PHE A CA 1 ATOM 2208 C C . PHE A 1 291 ? 29.257 0.342 8.973 1.00 33.04 ? 632 PHE A C 1 ATOM 2209 O O . PHE A 1 291 ? 28.239 0.255 8.297 1.00 33.51 ? 632 PHE A O 1 ATOM 2210 C CB . PHE A 1 291 ? 29.024 2.862 9.223 1.00 31.39 ? 632 PHE A CB 1 ATOM 2211 C CG . PHE A 1 291 ? 29.142 4.053 10.150 1.00 31.03 ? 632 PHE A CG 1 ATOM 2212 C CD1 . PHE A 1 291 ? 28.932 3.902 11.512 1.00 29.71 ? 632 PHE A CD1 1 ATOM 2213 C CD2 . PHE A 1 291 ? 29.477 5.314 9.665 1.00 30.18 ? 632 PHE A CD2 1 ATOM 2214 C CE1 . PHE A 1 291 ? 29.044 4.983 12.380 1.00 29.84 ? 632 PHE A CE1 1 ATOM 2215 C CE2 . PHE A 1 291 ? 29.594 6.405 10.526 1.00 29.60 ? 632 PHE A CE2 1 ATOM 2216 C CZ . PHE A 1 291 ? 29.378 6.238 11.887 1.00 29.72 ? 632 PHE A CZ 1 ATOM 2217 N N . LYS A 1 292 ? 30.156 -0.629 9.009 1.00 34.13 ? 633 LYS A N 1 ATOM 2218 C CA . LYS A 1 292 ? 29.915 -1.836 8.248 1.00 35.41 ? 633 LYS A CA 1 ATOM 2219 C C . LYS A 1 292 ? 30.013 -3.057 9.136 1.00 36.00 ? 633 LYS A C 1 ATOM 2220 O O . LYS A 1 292 ? 30.902 -3.147 9.989 1.00 35.93 ? 633 LYS A O 1 ATOM 2221 C CB . LYS A 1 292 ? 30.869 -1.932 7.052 1.00 35.88 ? 633 LYS A CB 1 ATOM 2222 C CG . LYS A 1 292 ? 30.554 -0.910 5.958 1.00 36.86 ? 633 LYS A CG 1 ATOM 2223 C CD . LYS A 1 292 ? 29.184 -1.192 5.366 1.00 38.78 ? 633 LYS A CD 1 ATOM 2224 C CE . LYS A 1 292 ? 28.451 0.081 4.954 1.00 39.88 ? 633 LYS A CE 1 ATOM 2225 N NZ . LYS A 1 292 ? 27.092 -0.289 4.428 1.00 40.27 ? 633 LYS A NZ 1 ATOM 2226 N N . SER A 1 293 ? 29.071 -3.977 8.939 1.00 36.76 ? 634 SER A N 1 ATOM 2227 C CA . SER A 1 293 ? 29.022 -5.245 9.656 1.00 37.50 ? 634 SER A CA 1 ATOM 2228 C C . SER A 1 293 ? 28.238 -6.273 8.831 1.00 38.28 ? 634 SER A C 1 ATOM 2229 O O . SER A 1 293 ? 27.460 -7.069 9.368 1.00 38.53 ? 634 SER A O 1 ATOM 2230 C CB . SER A 1 293 ? 28.369 -5.071 11.022 1.00 37.50 ? 634 SER A CB 1 ATOM 2231 O OG . SER A 1 293 ? 26.992 -4.791 10.884 1.00 38.17 ? 634 SER A OG 1 ATOM 2232 N N . GLU A 1 294 ? 28.421 -6.227 7.518 1.00 38.54 ? 635 GLU A N 1 ATOM 2233 C CA . GLU A 1 294 ? 27.797 -7.196 6.626 1.00 39.23 ? 635 GLU A CA 1 ATOM 2234 C C . GLU A 1 294 ? 26.268 -7.324 6.726 1.00 38.48 ? 635 GLU A C 1 ATOM 2235 O O . GLU A 1 294 ? 25.751 -8.441 6.797 1.00 38.94 ? 635 GLU A O 1 ATOM 2236 C CB . GLU A 1 294 ? 28.443 -8.582 6.823 1.00 39.85 ? 635 GLU A CB 1 ATOM 2237 C CG . GLU A 1 294 ? 29.837 -8.755 6.222 1.00 42.93 ? 635 GLU A CG 1 ATOM 2238 C CD . GLU A 1 294 ? 30.514 -10.046 6.678 1.00 48.13 ? 635 GLU A CD 1 ATOM 2239 O OE1 . GLU A 1 294 ? 31.467 -9.957 7.481 1.00 50.24 ? 635 GLU A OE1 1 ATOM 2240 O OE2 . GLU A 1 294 ? 30.091 -11.155 6.255 1.00 50.12 ? 635 GLU A OE2 1 ATOM 2241 N N . THR A 1 295 ? 25.546 -6.204 6.720 1.00 37.41 ? 636 THR A N 1 ATOM 2242 C CA . THR A 1 295 ? 24.074 -6.228 6.743 1.00 35.81 ? 636 THR A CA 1 ATOM 2243 C C . THR A 1 295 ? 23.508 -6.669 8.103 1.00 34.91 ? 636 THR A C 1 ATOM 2244 O O . THR A 1 295 ? 22.285 -6.798 8.297 1.00 35.07 ? 636 THR A O 1 ATOM 2245 C CB . THR A 1 295 ? 23.531 -7.129 5.591 1.00 36.13 ? 636 THR A CB 1 ATOM 2246 O OG1 . THR A 1 295 ? 22.290 -6.604 5.098 1.00 35.96 ? 636 THR A OG1 1 ATOM 2247 C CG2 . THR A 1 295 ? 23.166 -8.513 6.108 1.00 35.69 ? 636 THR A CG2 1 ATOM 2248 N N . LYS A 1 296 ? 24.413 -6.888 9.049 1.00 33.07 ? 637 LYS A N 1 ATOM 2249 C CA . LYS A 1 296 ? 24.046 -7.331 10.382 1.00 30.85 ? 637 LYS A CA 1 ATOM 2250 C C . LYS A 1 296 ? 23.661 -6.168 11.307 1.00 28.73 ? 637 LYS A C 1 ATOM 2251 O O . LYS A 1 296 ? 22.976 -6.366 12.296 1.00 28.61 ? 637 LYS A O 1 ATOM 2252 C CB . LYS A 1 296 ? 25.197 -8.153 10.976 1.00 31.25 ? 637 LYS A CB 1 ATOM 2253 C CG . LYS A 1 296 ? 25.774 -9.147 9.978 1.00 33.76 ? 637 LYS A CG 1 ATOM 2254 C CD . LYS A 1 296 ? 26.704 -10.154 10.623 1.00 37.26 ? 637 LYS A CD 1 ATOM 2255 C CE . LYS A 1 296 ? 26.002 -10.914 11.736 1.00 39.69 ? 637 LYS A CE 1 ATOM 2256 N NZ . LYS A 1 296 ? 26.866 -12.025 12.281 1.00 40.84 ? 637 LYS A NZ 1 ATOM 2257 N N . ASN A 1 297 ? 24.085 -4.955 10.984 1.00 26.07 ? 638 ASN A N 1 ATOM 2258 C CA . ASN A 1 297 ? 23.751 -3.802 11.821 1.00 23.95 ? 638 ASN A CA 1 ATOM 2259 C C . ASN A 1 297 ? 24.301 -3.875 13.251 1.00 22.53 ? 638 ASN A C 1 ATOM 2260 O O . ASN A 1 297 ? 23.563 -3.657 14.217 1.00 22.51 ? 638 ASN A O 1 ATOM 2261 C CB . ASN A 1 297 ? 22.235 -3.579 11.851 1.00 23.65 ? 638 ASN A CB 1 ATOM 2262 C CG . ASN A 1 297 ? 21.659 -3.262 10.468 1.00 23.29 ? 638 ASN A CG 1 ATOM 2263 O OD1 . ASN A 1 297 ? 20.624 -3.805 10.058 1.00 21.90 ? 638 ASN A OD1 1 ATOM 2264 N ND2 . ASN A 1 297 ? 22.332 -2.385 9.750 1.00 23.22 ? 638 ASN A ND2 1 ATOM 2265 N N . LEU A 1 298 ? 25.590 -4.176 13.388 1.00 20.19 ? 639 LEU A N 1 ATOM 2266 C CA . LEU A 1 298 ? 26.211 -4.281 14.704 1.00 18.41 ? 639 LEU A CA 1 ATOM 2267 C C . LEU A 1 298 ? 26.684 -2.910 15.213 1.00 17.71 ? 639 LEU A C 1 ATOM 2268 O O . LEU A 1 298 ? 27.405 -2.215 14.514 1.00 17.16 ? 639 LEU A O 1 ATOM 2269 C CB . LEU A 1 298 ? 27.376 -5.262 14.639 1.00 18.40 ? 639 LEU A CB 1 ATOM 2270 C CG . LEU A 1 298 ? 27.096 -6.677 14.113 1.00 18.60 ? 639 LEU A CG 1 ATOM 2271 C CD1 . LEU A 1 298 ? 28.372 -7.473 14.062 1.00 18.88 ? 639 LEU A CD1 1 ATOM 2272 C CD2 . LEU A 1 298 ? 26.087 -7.415 14.991 1.00 18.80 ? 639 LEU A CD2 1 ATOM 2273 N N . LEU A 1 299 ? 26.273 -2.529 16.426 1.00 17.22 ? 640 LEU A N 1 ATOM 2274 C CA . LEU A 1 299 ? 26.571 -1.203 17.029 1.00 16.80 ? 640 LEU A CA 1 ATOM 2275 C C . LEU A 1 299 ? 25.857 -0.043 16.325 1.00 16.54 ? 640 LEU A C 1 ATOM 2276 O O . LEU A 1 299 ? 25.253 0.819 16.975 1.00 17.17 ? 640 LEU A O 1 ATOM 2277 C CB . LEU A 1 299 ? 28.075 -0.923 17.118 1.00 16.43 ? 640 LEU A CB 1 ATOM 2278 C CG . LEU A 1 299 ? 28.933 -2.072 17.657 1.00 17.09 ? 640 LEU A CG 1 ATOM 2279 C CD1 . LEU A 1 299 ? 30.428 -1.697 17.582 1.00 17.99 ? 640 LEU A CD1 1 ATOM 2280 C CD2 . LEU A 1 299 ? 28.535 -2.485 19.071 1.00 13.67 ? 640 LEU A CD2 1 ATOM 2281 N N . PHE A 1 300 ? 25.928 -0.017 15.001 1.00 15.63 ? 641 PHE A N 1 ATOM 2282 C CA . PHE A 1 300 ? 25.215 0.997 14.244 1.00 15.84 ? 641 PHE A CA 1 ATOM 2283 C C . PHE A 1 300 ? 24.532 0.348 13.066 1.00 15.74 ? 641 PHE A C 1 ATOM 2284 O O . PHE A 1 300 ? 24.926 -0.730 12.661 1.00 15.72 ? 641 PHE A O 1 ATOM 2285 C CB . PHE A 1 300 ? 26.179 2.053 13.721 1.00 15.08 ? 641 PHE A CB 1 ATOM 2286 C CG . PHE A 1 300 ? 26.902 2.771 14.787 1.00 15.02 ? 641 PHE A CG 1 ATOM 2287 C CD1 . PHE A 1 300 ? 26.357 3.901 15.354 1.00 14.77 ? 641 PHE A CD1 1 ATOM 2288 C CD2 . PHE A 1 300 ? 28.134 2.317 15.236 1.00 14.86 ? 641 PHE A CD2 1 ATOM 2289 C CE1 . PHE A 1 300 ? 27.030 4.587 16.339 1.00 14.20 ? 641 PHE A CE1 1 ATOM 2290 C CE2 . PHE A 1 300 ? 28.804 2.987 16.231 1.00 13.51 ? 641 PHE A CE2 1 ATOM 2291 C CZ . PHE A 1 300 ? 28.256 4.125 16.782 1.00 14.44 ? 641 PHE A CZ 1 ATOM 2292 N N . ASN A 1 301 ? 23.504 0.990 12.537 1.00 16.46 ? 642 ASN A N 1 ATOM 2293 C CA . ASN A 1 301 ? 22.887 0.518 11.302 1.00 18.21 ? 642 ASN A CA 1 ATOM 2294 C C . ASN A 1 301 ? 23.885 0.668 10.174 1.00 19.45 ? 642 ASN A C 1 ATOM 2295 O O . ASN A 1 301 ? 24.608 1.666 10.108 1.00 19.52 ? 642 ASN A O 1 ATOM 2296 C CB . ASN A 1 301 ? 21.609 1.292 10.999 1.00 17.57 ? 642 ASN A CB 1 ATOM 2297 C CG . ASN A 1 301 ? 20.481 0.874 11.901 1.00 18.49 ? 642 ASN A CG 1 ATOM 2298 O OD1 . ASN A 1 301 ? 20.263 -0.321 12.084 1.00 17.46 ? 642 ASN A OD1 1 ATOM 2299 N ND2 . ASN A 1 301 ? 19.794 1.842 12.524 1.00 18.33 ? 642 ASN A ND2 1 ATOM 2300 N N . ASP A 1 302 ? 23.940 -0.331 9.301 1.00 21.42 ? 643 ASP A N 1 ATOM 2301 C CA . ASP A 1 302 ? 24.873 -0.329 8.169 1.00 23.46 ? 643 ASP A CA 1 ATOM 2302 C C . ASP A 1 302 ? 24.641 0.775 7.158 1.00 24.41 ? 643 ASP A C 1 ATOM 2303 O O . ASP A 1 302 ? 25.543 1.099 6.398 1.00 25.14 ? 643 ASP A O 1 ATOM 2304 C CB . ASP A 1 302 ? 24.855 -1.669 7.448 1.00 23.55 ? 643 ASP A CB 1 ATOM 2305 C CG . ASP A 1 302 ? 25.457 -2.754 8.273 1.00 26.34 ? 643 ASP A CG 1 ATOM 2306 O OD1 . ASP A 1 302 ? 26.279 -2.443 9.161 1.00 30.27 ? 643 ASP A OD1 1 ATOM 2307 O OD2 . ASP A 1 302 ? 25.162 -3.946 8.143 1.00 31.93 ? 643 ASP A OD2 1 ATOM 2308 N N . ASN A 1 303 ? 23.447 1.354 7.123 1.00 25.39 ? 644 ASN A N 1 ATOM 2309 C CA . ASN A 1 303 ? 23.204 2.429 6.157 1.00 26.46 ? 644 ASN A CA 1 ATOM 2310 C C . ASN A 1 303 ? 23.539 3.805 6.723 1.00 26.92 ? 644 ASN A C 1 ATOM 2311 O O . ASN A 1 303 ? 23.110 4.807 6.182 1.00 27.81 ? 644 ASN A O 1 ATOM 2312 C CB . ASN A 1 303 ? 21.754 2.415 5.648 1.00 26.48 ? 644 ASN A CB 1 ATOM 2313 C CG . ASN A 1 303 ? 20.757 2.810 6.718 1.00 27.38 ? 644 ASN A CG 1 ATOM 2314 O OD1 . ASN A 1 303 ? 21.081 2.843 7.900 1.00 28.54 ? 644 ASN A OD1 1 ATOM 2315 N ND2 . ASN A 1 303 ? 19.541 3.124 6.308 1.00 28.58 ? 644 ASN A ND2 1 ATOM 2316 N N . THR A 1 304 ? 24.299 3.859 7.813 1.00 26.95 ? 645 THR A N 1 ATOM 2317 C CA . THR A 1 304 ? 24.614 5.133 8.433 1.00 26.66 ? 645 THR A CA 1 ATOM 2318 C C . THR A 1 304 ? 25.735 5.865 7.683 1.00 26.89 ? 645 THR A C 1 ATOM 2319 O O . THR A 1 304 ? 26.811 5.314 7.474 1.00 26.66 ? 645 THR A O 1 ATOM 2320 C CB . THR A 1 304 ? 24.983 4.916 9.925 1.00 26.81 ? 645 THR A CB 1 ATOM 2321 O OG1 . THR A 1 304 ? 23.865 4.347 10.621 1.00 26.60 ? 645 THR A OG1 1 ATOM 2322 C CG2 . THR A 1 304 ? 25.210 6.252 10.642 1.00 25.38 ? 645 THR A CG2 1 ATOM 2323 N N . GLU A 1 305 ? 25.480 7.103 7.272 1.00 27.24 ? 646 GLU A N 1 ATOM 2324 C CA . GLU A 1 305 ? 26.493 7.882 6.578 1.00 28.03 ? 646 GLU A CA 1 ATOM 2325 C C . GLU A 1 305 ? 27.408 8.585 7.554 1.00 27.89 ? 646 GLU A C 1 ATOM 2326 O O . GLU A 1 305 ? 28.585 8.779 7.288 1.00 27.79 ? 646 GLU A O 1 ATOM 2327 C CB . GLU A 1 305 ? 25.893 8.937 5.659 1.00 28.54 ? 646 GLU A CB 1 ATOM 2328 C CG . GLU A 1 305 ? 27.000 9.898 5.244 1.00 33.54 ? 646 GLU A CG 1 ATOM 2329 C CD . GLU A 1 305 ? 26.559 11.077 4.419 1.00 38.87 ? 646 GLU A CD 1 ATOM 2330 O OE1 . GLU A 1 305 ? 25.382 11.119 4.006 1.00 43.30 ? 646 GLU A OE1 1 ATOM 2331 O OE2 . GLU A 1 305 ? 27.411 11.970 4.188 1.00 42.66 ? 646 GLU A OE2 1 ATOM 2332 N N . CYS A 1 306 ? 26.845 8.997 8.679 1.00 28.21 ? 647 CYS A N 1 ATOM 2333 C CA . CYS A 1 306 ? 27.610 9.634 9.732 1.00 28.11 ? 647 CYS A CA 1 ATOM 2334 C C . CYS A 1 306 ? 26.696 9.788 10.930 1.00 27.30 ? 647 CYS A C 1 ATOM 2335 O O . CYS A 1 306 ? 25.487 9.594 10.826 1.00 26.82 ? 647 CYS A O 1 ATOM 2336 C CB . CYS A 1 306 ? 28.066 11.035 9.302 1.00 29.06 ? 647 CYS A CB 1 ATOM 2337 S SG . CYS A 1 306 ? 26.746 12.263 9.445 1.00 30.38 ? 647 CYS A SG 1 ATOM 2338 N N . LEU A 1 307 ? 27.299 10.173 12.046 1.00 26.79 ? 648 LEU A N 1 ATOM 2339 C CA . LEU A 1 307 ? 26.601 10.520 13.270 1.00 26.91 ? 648 LEU A CA 1 ATOM 2340 C C . LEU A 1 307 ? 26.511 12.036 13.210 1.00 27.34 ? 648 LEU A C 1 ATOM 2341 O O . LEU A 1 307 ? 27.514 12.698 12.936 1.00 27.34 ? 648 LEU A O 1 ATOM 2342 C CB . LEU A 1 307 ? 27.427 10.096 14.487 1.00 26.13 ? 648 LEU A CB 1 ATOM 2343 C CG . LEU A 1 307 ? 27.532 8.585 14.689 1.00 26.25 ? 648 LEU A CG 1 ATOM 2344 C CD1 . LEU A 1 307 ? 28.472 8.220 15.873 1.00 26.47 ? 648 LEU A CD1 1 ATOM 2345 C CD2 . LEU A 1 307 ? 26.147 8.016 14.889 1.00 23.84 ? 648 LEU A CD2 1 ATOM 2346 N N . ALA A 1 308 ? 25.323 12.590 13.443 1.00 27.56 ? 649 ALA A N 1 ATOM 2347 C CA . ALA A 1 308 ? 25.140 14.029 13.294 1.00 27.92 ? 649 ALA A CA 1 ATOM 2348 C C . ALA A 1 308 ? 24.904 14.739 14.615 1.00 28.63 ? 649 ALA A C 1 ATOM 2349 O O . ALA A 1 308 ? 24.287 14.186 15.537 1.00 28.46 ? 649 ALA A O 1 ATOM 2350 C CB . ALA A 1 308 ? 23.998 14.323 12.330 1.00 27.64 ? 649 ALA A CB 1 ATOM 2351 N N . LYS A 1 309 ? 25.419 15.962 14.709 1.00 29.34 ? 650 LYS A N 1 ATOM 2352 C CA . LYS A 1 309 ? 25.180 16.788 15.882 1.00 30.34 ? 650 LYS A CA 1 ATOM 2353 C C . LYS A 1 309 ? 23.702 17.073 15.903 1.00 30.74 ? 650 LYS A C 1 ATOM 2354 O O . LYS A 1 309 ? 23.047 17.051 14.865 1.00 30.58 ? 650 LYS A O 1 ATOM 2355 C CB . LYS A 1 309 ? 25.929 18.108 15.803 1.00 30.43 ? 650 LYS A CB 1 ATOM 2356 C CG . LYS A 1 309 ? 27.420 18.017 16.044 1.00 31.21 ? 650 LYS A CG 1 ATOM 2357 C CD . LYS A 1 309 ? 28.008 19.425 16.168 1.00 32.42 ? 650 LYS A CD 1 ATOM 2358 C CE . LYS A 1 309 ? 29.468 19.487 15.704 1.00 33.20 ? 650 LYS A CE 1 ATOM 2359 N NZ . LYS A 1 309 ? 30.265 20.533 16.436 1.00 33.25 ? 650 LYS A NZ 1 ATOM 2360 N N . LEU A 1 310 ? 23.184 17.360 17.085 1.00 31.66 ? 651 LEU A N 1 ATOM 2361 C CA . LEU A 1 310 ? 21.756 17.565 17.250 1.00 32.51 ? 651 LEU A CA 1 ATOM 2362 C C . LEU A 1 310 ? 21.267 19.018 17.155 1.00 33.18 ? 651 LEU A C 1 ATOM 2363 O O . LEU A 1 310 ? 20.340 19.306 16.401 1.00 34.31 ? 651 LEU A O 1 ATOM 2364 C CB . LEU A 1 310 ? 21.278 16.877 18.531 1.00 32.19 ? 651 LEU A CB 1 ATOM 2365 C CG . LEU A 1 310 ? 21.403 15.346 18.494 1.00 32.37 ? 651 LEU A CG 1 ATOM 2366 C CD1 . LEU A 1 310 ? 20.847 14.736 19.764 1.00 30.54 ? 651 LEU A CD1 1 ATOM 2367 C CD2 . LEU A 1 310 ? 20.701 14.755 17.249 1.00 32.75 ? 651 LEU A CD2 1 ATOM 2368 N N . GLY A 1 311 ? 21.846 19.940 17.909 1.00 33.69 ? 652 GLY A N 1 ATOM 2369 C CA . GLY A 1 311 ? 21.398 21.328 17.794 1.00 34.30 ? 652 GLY A CA 1 ATOM 2370 C C . GLY A 1 311 ? 19.985 21.525 18.320 1.00 33.98 ? 652 GLY A C 1 ATOM 2371 O O . GLY A 1 311 ? 19.023 20.908 17.834 1.00 34.20 ? 652 GLY A O 1 ATOM 2372 N N . GLY A 1 312 ? 19.865 22.402 19.311 1.00 33.10 ? 653 GLY A N 1 ATOM 2373 C CA . GLY A 1 312 ? 18.608 22.599 20.001 1.00 31.96 ? 653 GLY A CA 1 ATOM 2374 C C . GLY A 1 312 ? 18.788 21.937 21.345 1.00 30.91 ? 653 GLY A C 1 ATOM 2375 O O . GLY A 1 312 ? 17.931 22.027 22.210 1.00 31.08 ? 653 GLY A O 1 ATOM 2376 N N . ARG A 1 313 ? 19.913 21.251 21.500 1.00 30.14 ? 654 ARG A N 1 ATOM 2377 C CA . ARG A 1 313 ? 20.245 20.626 22.764 1.00 29.60 ? 654 ARG A CA 1 ATOM 2378 C C . ARG A 1 313 ? 19.024 19.919 23.335 1.00 28.17 ? 654 ARG A C 1 ATOM 2379 O O . ARG A 1 313 ? 18.569 20.219 24.430 1.00 28.53 ? 654 ARG A O 1 ATOM 2380 C CB . ARG A 1 313 ? 20.682 21.731 23.685 1.00 30.41 ? 654 ARG A CB 1 ATOM 2381 C CG . ARG A 1 313 ? 22.063 22.223 23.389 1.00 33.13 ? 654 ARG A CG 1 ATOM 2382 C CD . ARG A 1 313 ? 23.000 21.683 24.405 1.00 39.30 ? 654 ARG A CD 1 ATOM 2383 N NE . ARG A 1 313 ? 24.409 21.949 24.182 1.00 42.60 ? 654 ARG A NE 1 ATOM 2384 C CZ . ARG A 1 313 ? 25.327 21.550 25.043 1.00 44.76 ? 654 ARG A CZ 1 ATOM 2385 N NH1 . ARG A 1 313 ? 24.937 20.905 26.145 1.00 44.29 ? 654 ARG A NH1 1 ATOM 2386 N NH2 . ARG A 1 313 ? 26.613 21.789 24.819 1.00 46.35 ? 654 ARG A NH2 1 ATOM 2387 N N . PRO A 1 314 ? 18.441 19.047 22.529 1.00 26.92 ? 655 PRO A N 1 ATOM 2388 C CA . PRO A 1 314 ? 17.218 18.322 22.873 1.00 25.58 ? 655 PRO A CA 1 ATOM 2389 C C . PRO A 1 314 ? 17.172 17.485 24.141 1.00 24.34 ? 655 PRO A C 1 ATOM 2390 O O . PRO A 1 314 ? 18.117 16.761 24.449 1.00 23.83 ? 655 PRO A O 1 ATOM 2391 C CB . PRO A 1 314 ? 17.038 17.372 21.681 1.00 25.51 ? 655 PRO A CB 1 ATOM 2392 C CG . PRO A 1 314 ? 17.787 17.926 20.602 1.00 26.32 ? 655 PRO A CG 1 ATOM 2393 C CD . PRO A 1 314 ? 18.861 18.790 21.142 1.00 27.01 ? 655 PRO A CD 1 ATOM 2394 N N . THR A 1 315 ? 16.061 17.565 24.865 1.00 23.47 ? 656 THR A N 1 ATOM 2395 C CA . THR A 1 315 ? 15.858 16.569 25.905 1.00 23.68 ? 656 THR A CA 1 ATOM 2396 C C . THR A 1 315 ? 15.337 15.341 25.137 1.00 23.55 ? 656 THR A C 1 ATOM 2397 O O . THR A 1 315 ? 15.031 15.423 23.931 1.00 23.23 ? 656 THR A O 1 ATOM 2398 C CB . THR A 1 315 ? 14.853 16.999 26.968 1.00 23.47 ? 656 THR A CB 1 ATOM 2399 O OG1 . THR A 1 315 ? 13.592 17.236 26.343 1.00 23.40 ? 656 THR A OG1 1 ATOM 2400 C CG2 . THR A 1 315 ? 15.230 18.347 27.568 1.00 22.67 ? 656 THR A CG2 1 ATOM 2401 N N . TYR A 1 316 ? 15.244 14.213 25.822 1.00 22.83 ? 657 TYR A N 1 ATOM 2402 C CA . TYR A 1 316 ? 14.842 12.985 25.168 1.00 22.99 ? 657 TYR A CA 1 ATOM 2403 C C . TYR A 1 316 ? 13.389 13.055 24.653 1.00 23.12 ? 657 TYR A C 1 ATOM 2404 O O . TYR A 1 316 ? 13.047 12.401 23.671 1.00 22.35 ? 657 TYR A O 1 ATOM 2405 C CB . TYR A 1 316 ? 15.066 11.788 26.095 1.00 22.78 ? 657 TYR A CB 1 ATOM 2406 C CG . TYR A 1 316 ? 13.929 11.543 27.042 1.00 23.15 ? 657 TYR A CG 1 ATOM 2407 C CD1 . TYR A 1 316 ? 12.888 10.692 26.693 1.00 24.58 ? 657 TYR A CD1 1 ATOM 2408 C CD2 . TYR A 1 316 ? 13.878 12.170 28.268 1.00 22.59 ? 657 TYR A CD2 1 ATOM 2409 C CE1 . TYR A 1 316 ? 11.842 10.463 27.556 1.00 25.47 ? 657 TYR A CE1 1 ATOM 2410 C CE2 . TYR A 1 316 ? 12.834 11.940 29.146 1.00 23.71 ? 657 TYR A CE2 1 ATOM 2411 C CZ . TYR A 1 316 ? 11.826 11.088 28.788 1.00 25.16 ? 657 TYR A CZ 1 ATOM 2412 O OH . TYR A 1 316 ? 10.773 10.867 29.645 1.00 26.85 ? 657 TYR A OH 1 ATOM 2413 N N . GLU A 1 317 ? 12.547 13.850 25.314 1.00 23.73 ? 658 GLU A N 1 ATOM 2414 C CA . GLU A 1 317 ? 11.164 14.021 24.883 1.00 24.60 ? 658 GLU A CA 1 ATOM 2415 C C . GLU A 1 317 ? 11.152 14.854 23.614 1.00 24.11 ? 658 GLU A C 1 ATOM 2416 O O . GLU A 1 317 ? 10.419 14.552 22.664 1.00 24.50 ? 658 GLU A O 1 ATOM 2417 C CB . GLU A 1 317 ? 10.319 14.694 25.966 1.00 25.43 ? 658 GLU A CB 1 ATOM 2418 C CG . GLU A 1 317 ? 9.829 13.754 27.070 1.00 30.70 ? 658 GLU A CG 1 ATOM 2419 C CD . GLU A 1 317 ? 9.166 14.502 28.231 1.00 37.68 ? 658 GLU A CD 1 ATOM 2420 O OE1 . GLU A 1 317 ? 9.729 15.529 28.689 1.00 38.61 ? 658 GLU A OE1 1 ATOM 2421 O OE2 . GLU A 1 317 ? 8.080 14.054 28.700 1.00 40.74 ? 658 GLU A OE2 1 ATOM 2422 N N . GLU A 1 318 ? 11.977 15.894 23.589 1.00 23.17 ? 659 GLU A N 1 ATOM 2423 C CA . GLU A 1 318 ? 12.073 16.737 22.408 1.00 23.00 ? 659 GLU A CA 1 ATOM 2424 C C . GLU A 1 318 ? 12.617 15.952 21.229 1.00 22.24 ? 659 GLU A C 1 ATOM 2425 O O . GLU A 1 318 ? 12.175 16.142 20.107 1.00 22.18 ? 659 GLU A O 1 ATOM 2426 C CB . GLU A 1 318 ? 12.989 17.942 22.680 1.00 23.28 ? 659 GLU A CB 1 ATOM 2427 C CG . GLU A 1 318 ? 12.375 19.050 23.524 1.00 24.21 ? 659 GLU A CG 1 ATOM 2428 C CD . GLU A 1 318 ? 13.322 20.232 23.771 1.00 26.18 ? 659 GLU A CD 1 ATOM 2429 O OE1 . GLU A 1 318 ? 14.429 20.012 24.304 1.00 28.10 ? 659 GLU A OE1 1 ATOM 2430 O OE2 . GLU A 1 318 ? 12.950 21.383 23.431 1.00 29.16 ? 659 GLU A OE2 1 ATOM 2431 N N . TYR A 1 319 ? 13.582 15.077 21.486 1.00 21.77 ? 660 TYR A N 1 ATOM 2432 C CA . TYR A 1 319 ? 14.217 14.326 20.409 1.00 21.24 ? 660 TYR A CA 1 ATOM 2433 C C . TYR A 1 319 ? 13.265 13.345 19.734 1.00 21.32 ? 660 TYR A C 1 ATOM 2434 O O . TYR A 1 319 ? 13.266 13.214 18.507 1.00 20.56 ? 660 TYR A O 1 ATOM 2435 C CB . TYR A 1 319 ? 15.488 13.602 20.879 1.00 20.96 ? 660 TYR A CB 1 ATOM 2436 C CG . TYR A 1 319 ? 16.082 12.803 19.765 1.00 20.10 ? 660 TYR A CG 1 ATOM 2437 C CD1 . TYR A 1 319 ? 16.769 13.432 18.722 1.00 20.77 ? 660 TYR A CD1 1 ATOM 2438 C CD2 . TYR A 1 319 ? 15.907 11.428 19.702 1.00 17.88 ? 660 TYR A CD2 1 ATOM 2439 C CE1 . TYR A 1 319 ? 17.301 12.700 17.667 1.00 19.05 ? 660 TYR A CE1 1 ATOM 2440 C CE2 . TYR A 1 319 ? 16.418 10.706 18.662 1.00 18.65 ? 660 TYR A CE2 1 ATOM 2441 C CZ . TYR A 1 319 ? 17.115 11.338 17.646 1.00 18.77 ? 660 TYR A CZ 1 ATOM 2442 O OH . TYR A 1 319 ? 17.612 10.590 16.601 1.00 19.97 ? 660 TYR A OH 1 ATOM 2443 N N . LEU A 1 320 ? 12.447 12.679 20.542 1.00 21.79 ? 661 LEU A N 1 ATOM 2444 C CA . LEU A 1 320 ? 11.530 11.657 20.057 1.00 22.40 ? 661 LEU A CA 1 ATOM 2445 C C . LEU A 1 320 ? 10.274 12.303 19.501 1.00 23.50 ? 661 LEU A C 1 ATOM 2446 O O . LEU A 1 320 ? 9.595 11.715 18.649 1.00 22.91 ? 661 LEU A O 1 ATOM 2447 C CB . LEU A 1 320 ? 11.144 10.693 21.188 1.00 22.02 ? 661 LEU A CB 1 ATOM 2448 C CG . LEU A 1 320 ? 12.252 9.855 21.832 1.00 21.97 ? 661 LEU A CG 1 ATOM 2449 C CD1 . LEU A 1 320 ? 11.671 9.003 22.930 1.00 22.55 ? 661 LEU A CD1 1 ATOM 2450 C CD2 . LEU A 1 320 ? 12.955 8.970 20.803 1.00 21.35 ? 661 LEU A CD2 1 ATOM 2451 N N . GLY A 1 321 ? 9.974 13.505 20.003 1.00 24.51 ? 662 GLY A N 1 ATOM 2452 C CA . GLY A 1 321 ? 8.820 14.272 19.590 1.00 26.13 ? 662 GLY A CA 1 ATOM 2453 C C . GLY A 1 321 ? 7.533 13.816 20.338 1.00 27.87 ? 662 GLY A C 1 ATOM 2454 O O . GLY A 1 321 ? 7.369 12.632 20.636 1.00 27.91 ? 662 GLY A O 1 ATOM 2455 N N . THR A 1 322 ? 6.653 14.811 20.638 1.00 29.44 ? 663 THR A N 1 ATOM 2456 C CA . THR A 1 322 ? 5.404 14.620 21.374 1.00 30.97 ? 663 THR A CA 1 ATOM 2457 C C . THR A 1 322 ? 4.491 13.571 20.742 1.00 31.68 ? 663 THR A C 1 ATOM 2458 O O . THR A 1 322 ? 3.812 12.827 21.458 1.00 32.18 ? 663 THR A O 1 ATOM 2459 C CB . THR A 1 322 ? 4.741 16.012 21.573 1.00 31.58 ? 663 THR A CB 1 ATOM 2460 O OG1 . THR A 1 322 ? 5.748 17.035 21.529 1.00 32.32 ? 663 THR A OG1 1 ATOM 2461 C CG2 . THR A 1 322 ? 4.016 16.065 22.902 1.00 31.60 ? 663 THR A CG2 1 ATOM 2462 N N . GLU A 1 323 ? 4.413 13.497 19.445 1.00 32.45 ? 664 GLU A N 1 ATOM 2463 C CA . GLU A 1 323 ? 3.594 12.445 18.889 1.00 33.35 ? 664 GLU A CA 1 ATOM 2464 C C . GLU A 1 323 ? 4.073 11.099 19.407 1.00 32.72 ? 664 GLU A C 1 ATOM 2465 O O . GLU A 1 323 ? 3.321 10.358 20.032 1.00 32.73 ? 664 GLU A O 1 ATOM 2466 C CB . GLU A 1 323 ? 3.709 12.403 17.355 1.00 33.67 ? 664 GLU A CB 1 ATOM 2467 C CG . GLU A 1 323 ? 2.546 13.059 16.600 1.00 37.15 ? 664 GLU A CG 1 ATOM 2468 C CD . GLU A 1 323 ? 2.405 12.538 15.177 1.00 42.19 ? 664 GLU A CD 1 ATOM 2469 O OE1 . GLU A 1 323 ? 2.279 11.303 15.007 1.00 42.76 ? 664 GLU A OE1 1 ATOM 2470 O OE2 . GLU A 1 323 ? 2.406 13.379 14.248 1.00 43.53 ? 664 GLU A OE2 1 ATOM 2471 N N . TYR A 1 324 ? 5.342 10.799 19.157 1.00 32.45 ? 665 TYR A N 1 ATOM 2472 C CA . TYR A 1 324 ? 5.888 9.490 19.497 1.00 31.90 ? 665 TYR A CA 1 ATOM 2473 C C . TYR A 1 324 ? 5.834 9.185 20.979 1.00 32.24 ? 665 TYR A C 1 ATOM 2474 O O . TYR A 1 324 ? 5.546 8.056 21.377 1.00 32.04 ? 665 TYR A O 1 ATOM 2475 C CB . TYR A 1 324 ? 7.310 9.319 18.961 1.00 31.40 ? 665 TYR A CB 1 ATOM 2476 C CG . TYR A 1 324 ? 7.836 7.915 19.145 1.00 29.58 ? 665 TYR A CG 1 ATOM 2477 C CD1 . TYR A 1 324 ? 7.018 6.809 18.917 1.00 27.96 ? 665 TYR A CD1 1 ATOM 2478 C CD2 . TYR A 1 324 ? 9.143 7.688 19.550 1.00 28.27 ? 665 TYR A CD2 1 ATOM 2479 C CE1 . TYR A 1 324 ? 7.483 5.518 19.094 1.00 26.35 ? 665 TYR A CE1 1 ATOM 2480 C CE2 . TYR A 1 324 ? 9.616 6.392 19.735 1.00 28.19 ? 665 TYR A CE2 1 ATOM 2481 C CZ . TYR A 1 324 ? 8.777 5.318 19.503 1.00 27.09 ? 665 TYR A CZ 1 ATOM 2482 O OH . TYR A 1 324 ? 9.245 4.042 19.686 1.00 27.18 ? 665 TYR A OH 1 ATOM 2483 N N . VAL A 1 325 ? 6.105 10.194 21.799 1.00 33.01 ? 666 VAL A N 1 ATOM 2484 C CA . VAL A 1 325 ? 6.094 10.001 23.242 1.00 33.57 ? 666 VAL A CA 1 ATOM 2485 C C . VAL A 1 325 ? 4.700 9.637 23.730 1.00 34.10 ? 666 VAL A C 1 ATOM 2486 O O . VAL A 1 325 ? 4.555 8.858 24.661 1.00 34.58 ? 666 VAL A O 1 ATOM 2487 C CB . VAL A 1 325 ? 6.650 11.238 23.989 1.00 33.86 ? 666 VAL A CB 1 ATOM 2488 C CG1 . VAL A 1 325 ? 6.411 11.124 25.476 1.00 33.75 ? 666 VAL A CG1 1 ATOM 2489 C CG2 . VAL A 1 325 ? 8.152 11.411 23.697 1.00 33.21 ? 666 VAL A CG2 1 ATOM 2490 N N . THR A 1 326 ? 3.655 10.156 23.096 1.00 34.79 ? 667 THR A N 1 ATOM 2491 C CA . THR A 1 326 ? 2.331 9.829 23.606 1.00 35.41 ? 667 THR A CA 1 ATOM 2492 C C . THR A 1 326 ? 1.876 8.440 23.215 1.00 35.51 ? 667 THR A C 1 ATOM 2493 O O . THR A 1 326 ? 1.032 7.846 23.878 1.00 35.75 ? 667 THR A O 1 ATOM 2494 C CB . THR A 1 326 ? 1.272 10.914 23.287 1.00 35.77 ? 667 THR A CB 1 ATOM 2495 O OG1 . THR A 1 326 ? 1.289 11.235 21.891 1.00 36.42 ? 667 THR A OG1 1 ATOM 2496 C CG2 . THR A 1 326 ? 1.646 12.227 23.979 1.00 35.61 ? 667 THR A CG2 1 ATOM 2497 N N . ALA A 1 327 ? 2.451 7.895 22.158 1.00 35.61 ? 668 ALA A N 1 ATOM 2498 C CA . ALA A 1 327 ? 2.090 6.548 21.785 1.00 35.54 ? 668 ALA A CA 1 ATOM 2499 C C . ALA A 1 327 ? 2.736 5.569 22.772 1.00 35.93 ? 668 ALA A C 1 ATOM 2500 O O . ALA A 1 327 ? 2.104 4.605 23.209 1.00 35.98 ? 668 ALA A O 1 ATOM 2501 C CB . ALA A 1 327 ? 2.492 6.269 20.368 1.00 35.50 ? 668 ALA A CB 1 ATOM 2502 N N . ILE A 1 328 ? 3.981 5.829 23.156 1.00 36.24 ? 669 ILE A N 1 ATOM 2503 C CA . ILE A 1 328 ? 4.644 4.936 24.093 1.00 36.53 ? 669 ILE A CA 1 ATOM 2504 C C . ILE A 1 328 ? 3.912 4.930 25.429 1.00 37.21 ? 669 ILE A C 1 ATOM 2505 O O . ILE A 1 328 ? 3.615 3.862 25.980 1.00 37.26 ? 669 ILE A O 1 ATOM 2506 C CB . ILE A 1 328 ? 6.125 5.289 24.270 1.00 36.30 ? 669 ILE A CB 1 ATOM 2507 C CG1 . ILE A 1 328 ? 6.821 5.308 22.915 1.00 36.31 ? 669 ILE A CG1 1 ATOM 2508 C CG2 . ILE A 1 328 ? 6.815 4.262 25.165 1.00 36.11 ? 669 ILE A CG2 1 ATOM 2509 C CD1 . ILE A 1 328 ? 8.289 5.629 22.992 1.00 34.50 ? 669 ILE A CD1 1 ATOM 2510 N N . ALA A 1 329 ? 3.614 6.126 25.932 1.00 37.71 ? 670 ALA A N 1 ATOM 2511 C CA . ALA A 1 329 ? 2.897 6.289 27.197 1.00 38.16 ? 670 ALA A CA 1 ATOM 2512 C C . ALA A 1 329 ? 1.625 5.449 27.212 1.00 38.42 ? 670 ALA A C 1 ATOM 2513 O O . ALA A 1 329 ? 1.434 4.617 28.101 1.00 38.36 ? 670 ALA A O 1 ATOM 2514 C CB . ALA A 1 329 ? 2.564 7.774 27.441 1.00 37.83 ? 670 ALA A CB 1 ATOM 2515 N N . ASN A 1 330 ? 0.771 5.678 26.214 1.00 39.07 ? 671 ASN A N 1 ATOM 2516 C CA . ASN A 1 330 ? -0.492 4.969 26.076 1.00 39.74 ? 671 ASN A CA 1 ATOM 2517 C C . ASN A 1 330 ? -0.302 3.472 25.897 1.00 40.08 ? 671 ASN A C 1 ATOM 2518 O O . ASN A 1 330 ? -1.095 2.688 26.400 1.00 40.45 ? 671 ASN A O 1 ATOM 2519 C CB . ASN A 1 330 ? -1.326 5.530 24.912 1.00 40.14 ? 671 ASN A CB 1 ATOM 2520 C CG . ASN A 1 330 ? -2.070 6.825 25.271 1.00 41.10 ? 671 ASN A CG 1 ATOM 2521 O OD1 . ASN A 1 330 ? -2.930 6.848 26.161 1.00 41.60 ? 671 ASN A OD1 1 ATOM 2522 N ND2 . ASN A 1 330 ? -1.761 7.898 24.551 1.00 42.97 ? 671 ASN A ND2 1 ATOM 2523 N N . LEU A 1 331 ? 0.732 3.064 25.164 1.00 40.36 ? 672 LEU A N 1 ATOM 2524 C CA . LEU A 1 331 ? 0.994 1.636 25.004 1.00 40.24 ? 672 LEU A CA 1 ATOM 2525 C C . LEU A 1 331 ? 1.497 1.074 26.329 1.00 40.67 ? 672 LEU A C 1 ATOM 2526 O O . LEU A 1 331 ? 1.062 0.019 26.764 1.00 40.00 ? 672 LEU A O 1 ATOM 2527 C CB . LEU A 1 331 ? 2.004 1.378 23.877 1.00 39.90 ? 672 LEU A CB 1 ATOM 2528 C CG . LEU A 1 331 ? 2.494 -0.055 23.654 1.00 38.67 ? 672 LEU A CG 1 ATOM 2529 C CD1 . LEU A 1 331 ? 1.317 -0.999 23.514 1.00 38.53 ? 672 LEU A CD1 1 ATOM 2530 C CD2 . LEU A 1 331 ? 3.400 -0.141 22.437 1.00 37.27 ? 672 LEU A CD2 1 ATOM 2531 N N . LYS A 1 332 ? 2.396 1.811 26.976 1.00 42.04 ? 673 LYS A N 1 ATOM 2532 C CA . LYS A 1 332 ? 2.992 1.381 28.241 1.00 43.48 ? 673 LYS A CA 1 ATOM 2533 C C . LYS A 1 332 ? 1.968 1.206 29.364 1.00 44.40 ? 673 LYS A C 1 ATOM 2534 O O . LYS A 1 332 ? 2.200 0.441 30.299 1.00 44.18 ? 673 LYS A O 1 ATOM 2535 C CB . LYS A 1 332 ? 4.102 2.339 28.683 1.00 43.44 ? 673 LYS A CB 1 ATOM 2536 C CG . LYS A 1 332 ? 5.301 2.393 27.753 1.00 43.98 ? 673 LYS A CG 1 ATOM 2537 C CD . LYS A 1 332 ? 6.283 1.265 27.995 1.00 43.91 ? 673 LYS A CD 1 ATOM 2538 C CE . LYS A 1 332 ? 7.682 1.659 27.532 1.00 43.98 ? 673 LYS A CE 1 ATOM 2539 N NZ . LYS A 1 332 ? 8.639 0.510 27.569 1.00 44.99 ? 673 LYS A NZ 1 ATOM 2540 N N . LYS A 1 333 ? 0.847 1.918 29.276 1.00 45.73 ? 674 LYS A N 1 ATOM 2541 C CA . LYS A 1 333 ? -0.233 1.759 30.247 1.00 47.10 ? 674 LYS A CA 1 ATOM 2542 C C . LYS A 1 333 ? -0.806 0.352 30.181 1.00 47.63 ? 674 LYS A C 1 ATOM 2543 O O . LYS A 1 333 ? -1.511 -0.086 31.088 1.00 47.96 ? 674 LYS A O 1 ATOM 2544 C CB . LYS A 1 333 ? -1.373 2.745 29.956 1.00 47.44 ? 674 LYS A CB 1 ATOM 2545 C CG . LYS A 1 333 ? -1.137 4.198 30.360 1.00 48.70 ? 674 LYS A CG 1 ATOM 2546 C CD . LYS A 1 333 ? -2.221 5.109 29.766 1.00 51.98 ? 674 LYS A CD 1 ATOM 2547 C CE . LYS A 1 333 ? -3.477 5.197 30.636 1.00 53.93 ? 674 LYS A CE 1 ATOM 2548 N NZ . LYS A 1 333 ? -3.615 6.523 31.318 1.00 55.79 ? 674 LYS A NZ 1 ATOM 2549 N N . CYS A 1 334 ? -0.509 -0.353 29.097 1.00 48.32 ? 675 CYS A N 1 ATOM 2550 C CA . CYS A 1 334 ? -1.077 -1.675 28.883 1.00 48.83 ? 675 CYS A CA 1 ATOM 2551 C C . CYS A 1 334 ? -0.369 -2.799 29.617 1.00 49.64 ? 675 CYS A C 1 ATOM 2552 O O . CYS A 1 334 ? -1.021 -3.717 30.118 1.00 50.04 ? 675 CYS A O 1 ATOM 2553 C CB . CYS A 1 334 ? -1.146 -2.001 27.395 1.00 48.44 ? 675 CYS A CB 1 ATOM 2554 S SG . CYS A 1 334 ? -2.750 -1.650 26.673 1.00 47.52 ? 675 CYS A SG 1 ATOM 2555 N N . SER A 1 335 ? 0.958 -2.764 29.654 1.00 50.30 ? 676 SER A N 1 ATOM 2556 C CA . SER A 1 335 ? 1.695 -3.806 30.369 1.00 50.87 ? 676 SER A CA 1 ATOM 2557 C C . SER A 1 335 ? 2.702 -3.215 31.347 1.00 51.11 ? 676 SER A C 1 ATOM 2558 O O . SER A 1 335 ? 3.020 -3.830 32.369 1.00 51.72 ? 676 SER A O 1 ATOM 2559 C CB . SER A 1 335 ? 2.388 -4.780 29.406 1.00 50.95 ? 676 SER A CB 1 ATOM 2560 O OG . SER A 1 335 ? 3.520 -4.182 28.798 1.00 50.89 ? 676 SER A OG 1 ATOM 2561 N N . LEU A 1 340 ? 3.745 5.910 34.318 1.00 76.51 ? 681 LEU A N 1 ATOM 2562 C CA . LEU A 1 340 ? 3.823 7.046 33.403 1.00 76.43 ? 681 LEU A CA 1 ATOM 2563 C C . LEU A 1 340 ? 5.053 7.906 33.718 1.00 75.93 ? 681 LEU A C 1 ATOM 2564 O O . LEU A 1 340 ? 5.371 8.847 32.987 1.00 75.95 ? 681 LEU A O 1 ATOM 2565 C CB . LEU A 1 340 ? 2.549 7.892 33.498 1.00 76.76 ? 681 LEU A CB 1 ATOM 2566 C CG . LEU A 1 340 ? 2.055 8.594 32.227 1.00 77.61 ? 681 LEU A CG 1 ATOM 2567 C CD1 . LEU A 1 340 ? 0.773 7.940 31.707 1.00 78.20 ? 681 LEU A CD1 1 ATOM 2568 C CD2 . LEU A 1 340 ? 1.830 10.087 32.490 1.00 78.35 ? 681 LEU A CD2 1 ATOM 2569 N N . GLU A 1 341 ? 5.731 7.570 34.814 1.00 75.21 ? 682 GLU A N 1 ATOM 2570 C CA . GLU A 1 341 ? 6.928 8.277 35.267 1.00 74.46 ? 682 GLU A CA 1 ATOM 2571 C C . GLU A 1 341 ? 7.719 7.356 36.191 1.00 73.49 ? 682 GLU A C 1 ATOM 2572 O O . GLU A 1 341 ? 7.138 6.804 37.130 1.00 73.65 ? 682 GLU A O 1 ATOM 2573 C CB . GLU A 1 341 ? 6.533 9.528 36.055 1.00 74.78 ? 682 GLU A CB 1 ATOM 2574 C CG . GLU A 1 341 ? 5.974 10.662 35.211 1.00 76.03 ? 682 GLU A CG 1 ATOM 2575 C CD . GLU A 1 341 ? 5.207 11.686 36.030 1.00 77.61 ? 682 GLU A CD 1 ATOM 2576 O OE1 . GLU A 1 341 ? 4.310 11.284 36.810 1.00 78.00 ? 682 GLU A OE1 1 ATOM 2577 O OE2 . GLU A 1 341 ? 5.501 12.894 35.888 1.00 78.04 ? 682 GLU A OE2 1 ATOM 2578 N N . ALA A 1 342 ? 9.024 7.182 35.961 1.00 71.89 ? 683 ALA A N 1 ATOM 2579 C CA . ALA A 1 342 ? 9.785 6.313 36.868 1.00 70.01 ? 683 ALA A CA 1 ATOM 2580 C C . ALA A 1 342 ? 11.274 6.041 36.618 1.00 68.51 ? 683 ALA A C 1 ATOM 2581 O O . ALA A 1 342 ? 12.127 6.485 37.393 1.00 68.47 ? 683 ALA A O 1 ATOM 2582 C CB . ALA A 1 342 ? 9.082 4.955 36.918 1.00 70.28 ? 683 ALA A CB 1 ATOM 2583 N N . CYS A 1 343 ? 11.558 5.320 35.564 1.00 66.39 ? 684 CYS A N 1 ATOM 2584 C CA . CYS A 1 343 ? 12.868 4.781 35.286 1.00 63.89 ? 684 CYS A CA 1 ATOM 2585 C C . CYS A 1 343 ? 12.754 3.323 35.812 1.00 64.81 ? 684 CYS A C 1 ATOM 2586 O O . CYS A 1 343 ? 12.720 3.037 36.994 1.00 64.94 ? 684 CYS A O 1 ATOM 2587 C CB . CYS A 1 343 ? 13.974 5.534 36.001 1.00 62.21 ? 684 CYS A CB 1 ATOM 2588 S SG . CYS A 1 343 ? 15.592 4.683 35.982 1.00 52.71 ? 684 CYS A SG 1 ATOM 2589 N N . ALA A 1 344 ? 12.704 2.464 34.823 1.00 65.35 ? 685 ALA A N 1 ATOM 2590 C CA . ALA A 1 344 ? 12.406 1.128 34.495 1.00 65.78 ? 685 ALA A CA 1 ATOM 2591 C C . ALA A 1 344 ? 13.384 0.336 35.349 1.00 66.01 ? 685 ALA A C 1 ATOM 2592 O O . ALA A 1 344 ? 13.417 -0.895 35.260 1.00 66.26 ? 685 ALA A O 1 ATOM 2593 C CB . ALA A 1 344 ? 12.361 0.539 33.079 1.00 65.68 ? 685 ALA A CB 1 ATOM 2594 N N . PHE A 1 345 ? 14.170 1.021 36.175 1.00 66.05 ? 686 PHE A N 1 ATOM 2595 C CA . PHE A 1 345 ? 15.158 0.335 37.002 1.00 66.05 ? 686 PHE A CA 1 ATOM 2596 C C . PHE A 1 345 ? 15.304 0.950 38.393 1.00 66.21 ? 686 PHE A C 1 ATOM 2597 O O . PHE A 1 345 ? 16.267 0.680 39.111 1.00 66.46 ? 686 PHE A O 1 ATOM 2598 C CB . PHE A 1 345 ? 16.505 0.275 36.274 1.00 65.92 ? 686 PHE A CB 1 ATOM 2599 C CG . PHE A 1 345 ? 16.416 -0.325 34.895 1.00 65.60 ? 686 PHE A CG 1 ATOM 2600 C CD1 . PHE A 1 345 ? 16.350 -1.699 34.725 1.00 65.14 ? 686 PHE A CD1 1 ATOM 2601 C CD2 . PHE A 1 345 ? 16.371 0.485 33.772 1.00 65.02 ? 686 PHE A CD2 1 ATOM 2602 C CE1 . PHE A 1 345 ? 16.251 -2.246 33.465 1.00 64.79 ? 686 PHE A CE1 1 ATOM 2603 C CE2 . PHE A 1 345 ? 16.277 -0.064 32.511 1.00 64.74 ? 686 PHE A CE2 1 ATOM 2604 C CZ . PHE A 1 345 ? 16.217 -1.425 32.357 1.00 64.36 ? 686 PHE A CZ 1 HETATM 2605 C C1 . NAG B 2 . ? 43.454 8.889 20.841 1.00 52.45 ? 1 NAG A C1 1 HETATM 2606 C C2 . NAG B 2 . ? 43.584 9.058 19.337 1.00 56.78 ? 1 NAG A C2 1 HETATM 2607 C C3 . NAG B 2 . ? 44.590 10.162 19.031 1.00 59.14 ? 1 NAG A C3 1 HETATM 2608 C C4 . NAG B 2 . ? 44.339 11.452 19.827 1.00 60.62 ? 1 NAG A C4 1 HETATM 2609 C C5 . NAG B 2 . ? 43.731 11.226 21.222 1.00 58.74 ? 1 NAG A C5 1 HETATM 2610 C C6 . NAG B 2 . ? 42.927 12.451 21.674 1.00 58.80 ? 1 NAG A C6 1 HETATM 2611 C C7 . NAG B 2 . ? 43.111 7.105 17.959 1.00 55.85 ? 1 NAG A C7 1 HETATM 2612 C C8 . NAG B 2 . ? 43.714 6.072 17.053 1.00 55.22 ? 1 NAG A C8 1 HETATM 2613 N N2 . NAG B 2 . ? 43.967 7.807 18.708 1.00 56.19 ? 1 NAG A N2 1 HETATM 2614 O O3 . NAG B 2 . ? 44.499 10.458 17.658 1.00 60.54 ? 1 NAG A O3 1 HETATM 2615 O O4 . NAG B 2 . ? 45.557 12.179 19.953 1.00 64.86 ? 1 NAG A O4 1 HETATM 2616 O O5 . NAG B 2 . ? 42.885 10.088 21.311 1.00 55.36 ? 1 NAG A O5 1 HETATM 2617 O O6 . NAG B 2 . ? 42.321 13.095 20.569 1.00 59.21 ? 1 NAG A O6 1 HETATM 2618 O O7 . NAG B 2 . ? 41.888 7.270 17.991 1.00 54.63 ? 1 NAG A O7 1 HETATM 2619 C C1 . NAG C 2 . ? 45.330 13.602 19.762 1.00 68.90 ? 2 NAG A C1 1 HETATM 2620 C C2 . NAG C 2 . ? 46.096 14.527 20.724 1.00 70.44 ? 2 NAG A C2 1 HETATM 2621 C C3 . NAG C 2 . ? 45.535 15.934 20.554 1.00 71.00 ? 2 NAG A C3 1 HETATM 2622 C C4 . NAG C 2 . ? 45.668 16.358 19.102 1.00 71.11 ? 2 NAG A C4 1 HETATM 2623 C C5 . NAG C 2 . ? 45.032 15.312 18.191 1.00 71.26 ? 2 NAG A C5 1 HETATM 2624 C C6 . NAG C 2 . ? 45.266 15.668 16.734 1.00 71.79 ? 2 NAG A C6 1 HETATM 2625 C C7 . NAG C 2 . ? 46.905 13.488 22.811 1.00 73.44 ? 2 NAG A C7 1 HETATM 2626 C C8 . NAG C 2 . ? 47.025 13.809 24.273 1.00 73.36 ? 2 NAG A C8 1 HETATM 2627 N N2 . NAG C 2 . ? 45.977 14.164 22.127 1.00 72.09 ? 2 NAG A N2 1 HETATM 2628 O O3 . NAG C 2 . ? 46.196 16.864 21.387 1.00 71.72 ? 2 NAG A O3 1 HETATM 2629 O O4 . NAG C 2 . ? 45.058 17.620 18.932 1.00 71.02 ? 2 NAG A O4 1 HETATM 2630 O O5 . NAG C 2 . ? 45.590 14.034 18.440 1.00 69.95 ? 2 NAG A O5 1 HETATM 2631 O O6 . NAG C 2 . ? 46.655 15.620 16.504 1.00 72.77 ? 2 NAG A O6 1 HETATM 2632 O O7 . NAG C 2 . ? 47.633 12.628 22.310 1.00 74.23 ? 2 NAG A O7 1 HETATM 2633 C C1 . NAG D 2 . ? -3.642 5.491 20.620 1.00 44.94 ? 3 NAG A C1 1 HETATM 2634 C C2 . NAG D 2 . ? -2.566 6.337 19.935 1.00 45.23 ? 3 NAG A C2 1 HETATM 2635 C C3 . NAG D 2 . ? -2.242 7.662 20.651 1.00 47.07 ? 3 NAG A C3 1 HETATM 2636 C C4 . NAG D 2 . ? -3.509 8.373 21.130 1.00 50.32 ? 3 NAG A C4 1 HETATM 2637 C C5 . NAG D 2 . ? -4.215 7.305 21.951 1.00 49.38 ? 3 NAG A C5 1 HETATM 2638 C C6 . NAG D 2 . ? -5.353 7.858 22.803 1.00 49.52 ? 3 NAG A C6 1 HETATM 2639 C C7 . NAG D 2 . ? -0.862 5.285 18.579 1.00 41.96 ? 3 NAG A C7 1 HETATM 2640 C C8 . NAG D 2 . ? 0.436 4.551 18.512 1.00 41.34 ? 3 NAG A C8 1 HETATM 2641 N N2 . NAG D 2 . ? -1.382 5.510 19.783 1.00 42.49 ? 3 NAG A N2 1 HETATM 2642 O O3 . NAG D 2 . ? -1.479 8.499 19.811 1.00 44.84 ? 3 NAG A O3 1 HETATM 2643 O O4 . NAG D 2 . ? -3.278 9.445 22.035 1.00 55.98 ? 3 NAG A O4 1 HETATM 2644 O O5 . NAG D 2 . ? -4.690 6.307 21.083 1.00 47.33 ? 3 NAG A O5 1 HETATM 2645 O O6 . NAG D 2 . ? -6.160 8.688 22.003 1.00 47.85 ? 3 NAG A O6 1 HETATM 2646 O O7 . NAG D 2 . ? -1.391 5.659 17.538 1.00 42.23 ? 3 NAG A O7 1 HETATM 2647 C C1 . NDG E 3 . ? -2.951 10.769 21.526 1.00 61.20 ? 4 NDG A C1 1 HETATM 2648 C C2 . NDG E 3 . ? -3.264 11.803 22.617 1.00 63.69 ? 4 NDG A C2 1 HETATM 2649 C C3 . NDG E 3 . ? -3.732 13.128 22.036 1.00 66.43 ? 4 NDG A C3 1 HETATM 2650 C C4 . NDG E 3 . ? -2.931 13.530 20.811 1.00 69.00 ? 4 NDG A C4 1 HETATM 2651 C C5 . NDG E 3 . ? -3.126 12.418 19.766 1.00 67.08 ? 4 NDG A C5 1 HETATM 2652 C C6 . NDG E 3 . ? -1.901 12.196 18.875 1.00 67.29 ? 4 NDG A C6 1 HETATM 2653 C C7 . NDG E 3 . ? -4.039 10.985 24.784 1.00 63.63 ? 4 NDG A C7 1 HETATM 2654 C C8 . NDG E 3 . ? -5.157 10.325 25.538 1.00 64.16 ? 4 NDG A C8 1 HETATM 2655 O O . NDG E 3 . ? -3.563 11.168 20.317 1.00 63.89 ? 4 NDG A O 1 HETATM 2656 O O3 . NDG E 3 . ? -3.622 14.111 23.033 1.00 66.15 ? 4 NDG A O3 1 HETATM 2657 O O4 . NDG E 3 . ? -3.435 14.768 20.327 1.00 75.44 ? 4 NDG A O4 1 HETATM 2658 O O6 . NDG E 3 . ? -0.840 13.046 19.257 1.00 67.72 ? 4 NDG A O6 1 HETATM 2659 O O7 . NDG E 3 . ? -2.947 11.144 25.323 1.00 63.85 ? 4 NDG A O7 1 HETATM 2660 N N2 . NDG E 3 . ? -4.300 11.360 23.534 1.00 63.32 ? 4 NDG A N2 1 HETATM 2661 C C1 . MAN F 4 . ? -2.831 15.984 20.861 1.00 81.47 ? 5 MAN A C1 1 HETATM 2662 C C2 . MAN F 4 . ? -3.117 16.162 22.359 1.00 83.67 ? 5 MAN A C2 1 HETATM 2663 C C3 . MAN F 4 . ? -3.410 17.606 22.707 1.00 85.91 ? 5 MAN A C3 1 HETATM 2664 C C4 . MAN F 4 . ? -2.352 18.386 21.960 1.00 87.80 ? 5 MAN A C4 1 HETATM 2665 C C5 . MAN F 4 . ? -2.916 18.433 20.546 1.00 87.56 ? 5 MAN A C5 1 HETATM 2666 C C6 . MAN F 4 . ? -2.008 19.092 19.521 1.00 89.53 ? 5 MAN A C6 1 HETATM 2667 O O2 . MAN F 4 . ? -1.978 15.810 23.111 1.00 84.12 ? 5 MAN A O2 1 HETATM 2668 O O3 . MAN F 4 . ? -3.319 17.828 24.094 1.00 86.08 ? 5 MAN A O3 1 HETATM 2669 O O4 . MAN F 4 . ? -2.032 19.613 22.616 1.00 90.76 ? 5 MAN A O4 1 HETATM 2670 O O5 . MAN F 4 . ? -3.256 17.118 20.103 1.00 84.44 ? 5 MAN A O5 1 HETATM 2671 O O6 . MAN F 4 . ? -0.655 18.722 19.625 1.00 92.19 ? 5 MAN A O6 1 HETATM 2672 C C1 . BMA G 5 . ? -2.723 20.815 22.192 1.00 93.34 ? 6 BMA A C1 1 HETATM 2673 C C2 . BMA G 5 . ? -3.793 21.236 23.200 1.00 94.39 ? 6 BMA A C2 1 HETATM 2674 C C3 . BMA G 5 . ? -4.516 22.502 22.740 1.00 94.78 ? 6 BMA A C3 1 HETATM 2675 C C4 . BMA G 5 . ? -3.535 23.597 22.332 1.00 94.87 ? 6 BMA A C4 1 HETATM 2676 C C5 . BMA G 5 . ? -2.386 23.051 21.481 1.00 94.74 ? 6 BMA A C5 1 HETATM 2677 C C6 . BMA G 5 . ? -1.275 24.086 21.320 1.00 95.22 ? 6 BMA A C6 1 HETATM 2678 O O2 . BMA G 5 . ? -3.199 21.465 24.463 1.00 94.85 ? 6 BMA A O2 1 HETATM 2679 O O3 . BMA G 5 . ? -5.357 22.990 23.767 1.00 95.03 ? 6 BMA A O3 1 HETATM 2680 O O4 . BMA G 5 . ? -4.246 24.578 21.610 1.00 94.98 ? 6 BMA A O4 1 HETATM 2681 O O5 . BMA G 5 . ? -1.824 21.896 22.068 1.00 94.03 ? 6 BMA A O5 1 HETATM 2682 O O6 . BMA G 5 . ? -0.089 23.448 20.888 1.00 95.62 ? 6 BMA A O6 1 HETATM 2683 C C1 . BMA H 5 . ? -0.028 19.702 18.776 1.00 94.27 ? 7 BMA A C1 1 HETATM 2684 C C2 . BMA H 5 . ? 1.438 19.974 19.060 1.00 95.13 ? 7 BMA A C2 1 HETATM 2685 C C3 . BMA H 5 . ? 1.694 21.375 18.507 1.00 95.52 ? 7 BMA A C3 1 HETATM 2686 C C4 . BMA H 5 . ? 0.619 21.821 17.498 1.00 95.66 ? 7 BMA A C4 1 HETATM 2687 C C5 . BMA H 5 . ? -0.103 20.717 16.706 1.00 95.70 ? 7 BMA A C5 1 HETATM 2688 C C6 . BMA H 5 . ? 0.514 20.522 15.322 1.00 96.19 ? 7 BMA A C6 1 HETATM 2689 O O2 . BMA H 5 . ? 2.252 19.018 18.415 1.00 95.48 ? 7 BMA A O2 1 HETATM 2690 O O3 . BMA H 5 . ? 2.975 21.483 17.923 1.00 95.72 ? 7 BMA A O3 1 HETATM 2691 O O4 . BMA H 5 . ? -0.355 22.596 18.169 1.00 95.74 ? 7 BMA A O4 1 HETATM 2692 O O5 . BMA H 5 . ? -0.166 19.479 17.394 1.00 95.03 ? 7 BMA A O5 1 HETATM 2693 O O6 . BMA H 5 . ? 1.646 19.684 15.406 1.00 96.11 ? 7 BMA A O6 1 HETATM 2694 C C1 . NAG I 2 . ? 13.333 3.474 1.482 1.00 35.00 ? 8 NAG A C1 1 HETATM 2695 C C2 . NAG I 2 . ? 13.566 4.858 0.818 1.00 38.39 ? 8 NAG A C2 1 HETATM 2696 C C3 . NAG I 2 . ? 14.491 4.701 -0.393 1.00 41.03 ? 8 NAG A C3 1 HETATM 2697 C C4 . NAG I 2 . ? 15.782 3.979 -0.042 1.00 44.19 ? 8 NAG A C4 1 HETATM 2698 C C5 . NAG I 2 . ? 15.436 2.677 0.668 1.00 41.20 ? 8 NAG A C5 1 HETATM 2699 C C6 . NAG I 2 . ? 16.695 1.926 1.098 1.00 42.10 ? 8 NAG A C6 1 HETATM 2700 C C7 . NAG I 2 . ? 11.567 6.306 1.095 1.00 36.60 ? 8 NAG A C7 1 HETATM 2701 C C8 . NAG I 2 . ? 10.374 6.869 0.379 1.00 37.02 ? 8 NAG A C8 1 HETATM 2702 N N2 . NAG I 2 . ? 12.350 5.527 0.361 1.00 36.85 ? 8 NAG A N2 1 HETATM 2703 O O3 . NAG I 2 . ? 14.819 5.959 -0.922 1.00 40.53 ? 8 NAG A O3 1 HETATM 2704 O O4 . NAG I 2 . ? 16.509 3.732 -1.231 1.00 51.89 ? 8 NAG A O4 1 HETATM 2705 O O5 . NAG I 2 . ? 14.607 2.929 1.789 1.00 37.25 ? 8 NAG A O5 1 HETATM 2706 O O6 . NAG I 2 . ? 17.528 2.756 1.875 1.00 44.56 ? 8 NAG A O6 1 HETATM 2707 O O7 . NAG I 2 . ? 11.780 6.574 2.275 1.00 38.62 ? 8 NAG A O7 1 HETATM 2708 C C1 . NAG J 2 . ? 17.736 4.491 -1.269 1.00 58.31 ? 9 NAG A C1 1 HETATM 2709 C C2 . NAG J 2 . ? 18.635 3.946 -2.386 1.00 61.16 ? 9 NAG A C2 1 HETATM 2710 C C3 . NAG J 2 . ? 19.899 4.772 -2.578 1.00 64.93 ? 9 NAG A C3 1 HETATM 2711 C C4 . NAG J 2 . ? 19.400 6.182 -2.861 1.00 68.50 ? 9 NAG A C4 1 HETATM 2712 C C5 . NAG J 2 . ? 18.701 6.616 -1.574 1.00 65.55 ? 9 NAG A C5 1 HETATM 2713 C C6 . NAG J 2 . ? 18.480 8.128 -1.534 1.00 65.05 ? 9 NAG A C6 1 HETATM 2714 C C7 . NAG J 2 . ? 18.522 1.637 -3.055 1.00 60.28 ? 9 NAG A C7 1 HETATM 2715 C C8 . NAG J 2 . ? 18.908 0.210 -2.817 1.00 59.74 ? 9 NAG A C8 1 HETATM 2716 N N2 . NAG J 2 . ? 18.984 2.550 -2.202 1.00 60.62 ? 9 NAG A N2 1 HETATM 2717 O O3 . NAG J 2 . ? 20.636 4.229 -3.647 1.00 64.65 ? 9 NAG A O3 1 HETATM 2718 O O4 . NAG J 2 . ? 20.358 7.153 -3.280 1.00 76.85 ? 9 NAG A O4 1 HETATM 2719 O O5 . NAG J 2 . ? 17.499 5.873 -1.455 1.00 61.43 ? 9 NAG A O5 1 HETATM 2720 O O6 . NAG J 2 . ? 17.133 8.442 -1.272 1.00 65.31 ? 9 NAG A O6 1 HETATM 2721 O O7 . NAG J 2 . ? 17.803 1.926 -4.008 1.00 60.38 ? 9 NAG A O7 1 HETATM 2722 C C1 . MAN K 4 . ? 21.677 6.622 -3.543 1.00 84.21 ? 10 MAN A C1 1 HETATM 2723 C C2 . MAN K 4 . ? 22.730 7.516 -2.872 1.00 87.43 ? 10 MAN A C2 1 HETATM 2724 C C3 . MAN K 4 . ? 23.575 8.395 -3.791 1.00 90.21 ? 10 MAN A C3 1 HETATM 2725 C C4 . MAN K 4 . ? 23.770 7.912 -5.225 1.00 92.57 ? 10 MAN A C4 1 HETATM 2726 C C5 . MAN K 4 . ? 22.711 6.972 -5.812 1.00 90.47 ? 10 MAN A C5 1 HETATM 2727 C C6 . MAN K 4 . ? 23.430 5.926 -6.675 1.00 90.59 ? 10 MAN A C6 1 HETATM 2728 O O2 . MAN K 4 . ? 23.574 6.722 -2.057 1.00 88.14 ? 10 MAN A O2 1 HETATM 2729 O O3 . MAN K 4 . ? 24.858 8.561 -3.222 1.00 90.39 ? 10 MAN A O3 1 HETATM 2730 O O4 . MAN K 4 . ? 23.994 9.047 -6.067 1.00 98.21 ? 10 MAN A O4 1 HETATM 2731 O O5 . MAN K 4 . ? 21.873 6.265 -4.907 1.00 87.23 ? 10 MAN A O5 1 HETATM 2732 O O6 . MAN K 4 . ? 23.174 4.606 -6.231 1.00 90.12 ? 10 MAN A O6 1 HETATM 2733 C C1 . BMA L 5 . ? 22.842 9.880 -6.375 1.00 103.18 ? 11 BMA A C1 1 HETATM 2734 C C2 . BMA L 5 . ? 22.124 10.396 -5.137 1.00 105.43 ? 11 BMA A C2 1 HETATM 2735 C C3 . BMA L 5 . ? 20.841 11.047 -5.612 1.00 107.36 ? 11 BMA A C3 1 HETATM 2736 C C4 . BMA L 5 . ? 21.151 12.271 -6.469 1.00 108.86 ? 11 BMA A C4 1 HETATM 2737 C C5 . BMA L 5 . ? 22.467 12.185 -7.273 1.00 107.57 ? 11 BMA A C5 1 HETATM 2738 C C6 . BMA L 5 . ? 23.443 13.313 -6.921 1.00 107.59 ? 11 BMA A C6 1 HETATM 2739 O O2 . BMA L 5 . ? 22.915 11.325 -4.424 1.00 105.60 ? 11 BMA A O2 1 HETATM 2740 O O3 . BMA L 5 . ? 20.045 11.401 -4.501 1.00 107.75 ? 11 BMA A O3 1 HETATM 2741 O O4 . BMA L 5 . ? 20.033 12.479 -7.321 1.00 112.50 ? 11 BMA A O4 1 HETATM 2742 O O5 . BMA L 5 . ? 23.204 10.958 -7.227 1.00 105.32 ? 11 BMA A O5 1 HETATM 2743 O O6 . BMA L 5 . ? 22.817 14.313 -6.143 1.00 107.56 ? 11 BMA A O6 1 HETATM 2744 C C1 . BMA M 5 . ? 20.378 13.160 -8.554 1.00 115.81 ? 12 BMA A C1 1 HETATM 2745 C C2 . BMA M 5 . ? 20.019 12.267 -9.755 1.00 117.17 ? 12 BMA A C2 1 HETATM 2746 C C3 . BMA M 5 . ? 19.505 12.931 -11.043 1.00 118.06 ? 12 BMA A C3 1 HETATM 2747 C C4 . BMA M 5 . ? 19.264 14.439 -10.994 1.00 118.47 ? 12 BMA A C4 1 HETATM 2748 C C5 . BMA M 5 . ? 19.097 15.047 -9.593 1.00 118.00 ? 12 BMA A C5 1 HETATM 2749 C C6 . BMA M 5 . ? 17.628 15.191 -9.165 1.00 118.14 ? 12 BMA A C6 1 HETATM 2750 O O2 . BMA M 5 . ? 19.123 11.248 -9.343 1.00 117.57 ? 12 BMA A O2 1 HETATM 2751 O O3 . BMA M 5 . ? 18.327 12.279 -11.483 1.00 118.31 ? 12 BMA A O3 1 HETATM 2752 O O4 . BMA M 5 . ? 20.333 15.086 -11.661 1.00 119.51 ? 12 BMA A O4 1 HETATM 2753 O O5 . BMA M 5 . ? 19.894 14.498 -8.548 1.00 117.02 ? 12 BMA A O5 1 HETATM 2754 O O6 . BMA M 5 . ? 17.426 14.616 -7.890 1.00 118.05 ? 12 BMA A O6 1 HETATM 2755 C C1 . MAN N 4 . ? 19.950 15.839 -12.846 1.00 120.63 ? 13 MAN A C1 1 HETATM 2756 C C2 . MAN N 4 . ? 19.583 17.283 -12.487 1.00 121.06 ? 13 MAN A C2 1 HETATM 2757 C C3 . MAN N 4 . ? 18.086 17.497 -12.309 1.00 121.37 ? 13 MAN A C3 1 HETATM 2758 C C4 . MAN N 4 . ? 17.359 16.919 -13.506 1.00 121.40 ? 13 MAN A C4 1 HETATM 2759 C C5 . MAN N 4 . ? 17.666 15.430 -13.577 1.00 121.32 ? 13 MAN A C5 1 HETATM 2760 C C6 . MAN N 4 . ? 16.899 14.767 -14.715 1.00 121.29 ? 13 MAN A C6 1 HETATM 2761 O O2 . MAN N 4 . ? 20.062 18.134 -13.504 1.00 121.26 ? 13 MAN A O2 1 HETATM 2762 O O3 . MAN N 4 . ? 17.798 18.871 -12.185 1.00 121.70 ? 13 MAN A O3 1 HETATM 2763 O O4 . MAN N 4 . ? 15.974 17.123 -13.356 1.00 121.66 ? 13 MAN A O4 1 HETATM 2764 O O5 . MAN N 4 . ? 19.051 15.208 -13.758 1.00 120.96 ? 13 MAN A O5 1 HETATM 2765 O O6 . MAN N 4 . ? 15.676 14.278 -14.214 1.00 121.36 ? 13 MAN A O6 1 HETATM 2766 C C1 . NAG O 2 . ? 5.636 24.913 26.357 1.00 61.86 ? 687 NAG A C1 1 HETATM 2767 C C2 . NAG O 2 . ? 5.174 23.518 25.960 1.00 61.64 ? 687 NAG A C2 1 HETATM 2768 C C3 . NAG O 2 . ? 5.168 23.266 24.434 1.00 61.86 ? 687 NAG A C3 1 HETATM 2769 C C4 . NAG O 2 . ? 5.135 24.533 23.559 1.00 62.28 ? 687 NAG A C4 1 HETATM 2770 C C5 . NAG O 2 . ? 5.378 25.865 24.265 1.00 62.70 ? 687 NAG A C5 1 HETATM 2771 C C6 . NAG O 2 . ? 4.717 27.026 23.525 1.00 63.27 ? 687 NAG A C6 1 HETATM 2772 C C7 . NAG O 2 . ? 5.394 21.848 27.750 1.00 59.54 ? 687 NAG A C7 1 HETATM 2773 C C8 . NAG O 2 . ? 6.139 20.644 28.246 1.00 58.89 ? 687 NAG A C8 1 HETATM 2774 N N2 . NAG O 2 . ? 5.938 22.530 26.726 1.00 60.50 ? 687 NAG A N2 1 HETATM 2775 O O3 . NAG O 2 . ? 4.024 22.465 24.126 1.00 63.23 ? 687 NAG A O3 1 HETATM 2776 O O4 . NAG O 2 . ? 6.110 24.420 22.537 1.00 63.40 ? 687 NAG A O4 1 HETATM 2777 O O5 . NAG O 2 . ? 4.905 25.841 25.596 1.00 62.57 ? 687 NAG A O5 1 HETATM 2778 O O6 . NAG O 2 . ? 4.405 28.018 24.487 1.00 64.78 ? 687 NAG A O6 1 HETATM 2779 O O7 . NAG O 2 . ? 4.326 22.147 28.289 1.00 58.99 ? 687 NAG A O7 1 HETATM 2780 C C1 . NAG P 2 . ? 6.920 23.257 22.275 1.00 62.62 ? 688 NAG A C1 1 HETATM 2781 C C2 . NAG P 2 . ? 8.432 23.257 21.967 1.00 62.81 ? 688 NAG A C2 1 HETATM 2782 C C3 . NAG P 2 . ? 8.919 21.937 21.333 1.00 62.59 ? 688 NAG A C3 1 HETATM 2783 C C4 . NAG P 2 . ? 8.351 20.703 22.058 1.00 61.84 ? 688 NAG A C4 1 HETATM 2784 C C5 . NAG P 2 . ? 6.862 20.957 22.293 1.00 61.90 ? 688 NAG A C5 1 HETATM 2785 C C6 . NAG P 2 . ? 6.234 19.778 23.019 1.00 61.94 ? 688 NAG A C6 1 HETATM 2786 C C7 . NAG P 2 . ? 9.571 25.385 21.507 1.00 63.48 ? 688 NAG A C7 1 HETATM 2787 C C8 . NAG P 2 . ? 9.635 26.563 20.570 1.00 62.80 ? 688 NAG A C8 1 HETATM 2788 N N2 . NAG P 2 . ? 8.811 24.364 21.103 1.00 62.99 ? 688 NAG A N2 1 HETATM 2789 O O3 . NAG P 2 . ? 10.331 21.942 21.397 1.00 63.81 ? 688 NAG A O3 1 HETATM 2790 O O4 . NAG P 2 . ? 8.416 19.402 21.453 1.00 61.57 ? 688 NAG A O4 1 HETATM 2791 O O5 . NAG P 2 . ? 6.672 22.123 23.066 1.00 61.83 ? 688 NAG A O5 1 HETATM 2792 O O6 . NAG P 2 . ? 6.659 19.801 24.366 1.00 62.47 ? 688 NAG A O6 1 HETATM 2793 O O7 . NAG P 2 . ? 10.196 25.394 22.571 1.00 63.80 ? 688 NAG A O7 1 HETATM 2794 C C1 . NAG Q 2 . ? 9.445 19.010 20.492 1.00 61.14 ? 689 NAG A C1 1 HETATM 2795 C C2 . NAG Q 2 . ? 8.865 19.037 19.077 1.00 61.29 ? 689 NAG A C2 1 HETATM 2796 C C3 . NAG Q 2 . ? 9.871 19.009 17.923 1.00 60.59 ? 689 NAG A C3 1 HETATM 2797 C C4 . NAG Q 2 . ? 11.346 19.229 18.273 1.00 59.67 ? 689 NAG A C4 1 HETATM 2798 C C5 . NAG Q 2 . ? 11.665 19.091 19.755 1.00 59.58 ? 689 NAG A C5 1 HETATM 2799 C C6 . NAG Q 2 . ? 12.968 19.817 20.063 1.00 59.74 ? 689 NAG A C6 1 HETATM 2800 C C7 . NAG Q 2 . ? 6.613 18.265 18.859 1.00 63.81 ? 689 NAG A C7 1 HETATM 2801 C C8 . NAG Q 2 . ? 5.730 17.451 17.954 1.00 64.01 ? 689 NAG A C8 1 HETATM 2802 N N2 . NAG Q 2 . ? 7.911 17.957 18.893 1.00 62.04 ? 689 NAG A N2 1 HETATM 2803 O O3 . NAG Q 2 . ? 9.475 20.000 16.988 1.00 59.99 ? 689 NAG A O3 1 HETATM 2804 O O4 . NAG Q 2 . ? 12.142 18.388 17.452 1.00 59.58 ? 689 NAG A O4 1 HETATM 2805 O O5 . NAG Q 2 . ? 10.660 19.721 20.514 1.00 60.53 ? 689 NAG A O5 1 HETATM 2806 O O6 . NAG Q 2 . ? 12.676 21.155 20.412 1.00 59.49 ? 689 NAG A O6 1 HETATM 2807 O O7 . NAG Q 2 . ? 6.129 19.187 19.531 1.00 64.99 ? 689 NAG A O7 1 HETATM 2808 C C1 . NAG R 2 . ? 12.576 19.212 16.348 1.00 60.20 ? 690 NAG A C1 1 HETATM 2809 C C2 . NAG R 2 . ? 11.991 18.862 14.969 1.00 60.44 ? 690 NAG A C2 1 HETATM 2810 C C3 . NAG R 2 . ? 12.505 19.841 13.892 1.00 60.03 ? 690 NAG A C3 1 HETATM 2811 C C4 . NAG R 2 . ? 12.909 21.245 14.383 1.00 59.76 ? 690 NAG A C4 1 HETATM 2812 C C5 . NAG R 2 . ? 13.025 21.428 15.897 1.00 60.03 ? 690 NAG A C5 1 HETATM 2813 C C6 . NAG R 2 . ? 12.689 22.864 16.296 1.00 59.79 ? 690 NAG A C6 1 HETATM 2814 C C7 . NAG R 2 . ? 11.270 16.649 14.129 1.00 62.18 ? 690 NAG A C7 1 HETATM 2815 C C8 . NAG R 2 . ? 11.688 15.357 13.481 1.00 62.77 ? 690 NAG A C8 1 HETATM 2816 N N2 . NAG R 2 . ? 12.239 17.478 14.547 1.00 61.10 ? 690 NAG A N2 1 HETATM 2817 O O3 . NAG R 2 . ? 11.516 19.993 12.885 1.00 60.52 ? 690 NAG A O3 1 HETATM 2818 O O4 . NAG R 2 . ? 14.172 21.731 13.951 1.00 59.58 ? 690 NAG A O4 1 HETATM 2819 O O5 . NAG R 2 . ? 12.198 20.540 16.601 1.00 59.86 ? 690 NAG A O5 1 HETATM 2820 O O6 . NAG R 2 . ? 12.101 22.867 17.581 1.00 61.24 ? 690 NAG A O6 1 HETATM 2821 O O7 . NAG R 2 . ? 10.065 16.884 14.261 1.00 63.27 ? 690 NAG A O7 1 HETATM 2822 C C1 . NDG S 3 . ? 14.912 21.146 12.855 1.00 59.42 ? 691 NDG A C1 1 HETATM 2823 C C2 . NDG S 3 . ? 15.788 19.938 13.233 1.00 58.77 ? 691 NDG A C2 1 HETATM 2824 C C3 . NDG S 3 . ? 16.722 20.254 14.406 1.00 59.08 ? 691 NDG A C3 1 HETATM 2825 C C4 . NDG S 3 . ? 17.492 21.536 14.100 1.00 58.88 ? 691 NDG A C4 1 HETATM 2826 C C5 . NDG S 3 . ? 16.509 22.601 13.642 1.00 59.52 ? 691 NDG A C5 1 HETATM 2827 C C6 . NDG S 3 . ? 17.243 23.924 13.459 1.00 59.79 ? 691 NDG A C6 1 HETATM 2828 C C7 . NDG S 3 . ? 15.163 17.695 12.625 1.00 58.06 ? 691 NDG A C7 1 HETATM 2829 C C8 . NDG S 3 . ? 14.320 16.484 12.863 1.00 57.83 ? 691 NDG A C8 1 HETATM 2830 O O . NDG S 3 . ? 15.834 22.149 12.467 1.00 59.87 ? 691 NDG A O 1 HETATM 2831 O O3 . NDG S 3 . ? 17.621 19.185 14.629 1.00 59.11 ? 691 NDG A O3 1 HETATM 2832 O O4 . NDG S 3 . ? 18.161 22.005 15.246 1.00 58.93 ? 691 NDG A O4 1 HETATM 2833 O O6 . NDG S 3 . ? 18.132 23.794 12.373 1.00 60.21 ? 691 NDG A O6 1 HETATM 2834 O O7 . NDG S 3 . ? 15.920 17.723 11.661 1.00 58.54 ? 691 NDG A O7 1 HETATM 2835 N N2 . NDG S 3 . ? 15.053 18.709 13.479 1.00 58.52 ? 691 NDG A N2 1 HETATM 2836 S S . SO4 T 6 . ? -1.613 -7.376 -4.670 1.00 48.19 ? 301 SO4 A S 1 HETATM 2837 O O1 . SO4 T 6 . ? -1.251 -6.959 -3.326 1.00 49.41 ? 301 SO4 A O1 1 HETATM 2838 O O2 . SO4 T 6 . ? -2.955 -6.898 -4.976 1.00 48.28 ? 301 SO4 A O2 1 HETATM 2839 O O3 . SO4 T 6 . ? -0.693 -6.801 -5.645 1.00 47.24 ? 301 SO4 A O3 1 HETATM 2840 O O4 . SO4 T 6 . ? -1.570 -8.838 -4.681 1.00 48.46 ? 301 SO4 A O4 1 HETATM 2841 ZN ZN . ZN U 7 . ? 14.767 22.265 24.297 1.00 31.05 ? 302 ZN A ZN 1 HETATM 2842 ZN ZN . ZN V 7 . ? 3.248 9.798 7.231 1.00 31.61 ? 303 ZN A ZN 1 HETATM 2843 ZN ZN . ZN W 7 . ? 38.237 11.487 29.173 0.50 91.84 ? 304 ZN A ZN 1 HETATM 2844 FE FE . FE X 8 . ? 14.481 1.365 15.056 1.00 15.81 ? 692 FE A FE 1 HETATM 2845 C C . CO3 Y 9 . ? 13.099 -0.637 15.387 1.00 14.00 ? 693 CO3 A C 1 HETATM 2846 O O1 . CO3 Y 9 . ? 14.389 -0.772 15.536 1.00 14.21 ? 693 CO3 A O1 1 HETATM 2847 O O2 . CO3 Y 9 . ? 12.648 0.536 15.115 1.00 14.35 ? 693 CO3 A O2 1 HETATM 2848 O O3 . CO3 Y 9 . ? 12.265 -1.633 15.497 1.00 13.50 ? 693 CO3 A O3 1 HETATM 2849 O O . HOH Z 10 . ? 27.792 8.027 30.032 1.00 15.08 ? 694 HOH A O 1 HETATM 2850 O O . HOH Z 10 . ? 11.262 -11.593 14.594 1.00 16.41 ? 695 HOH A O 1 HETATM 2851 O O . HOH Z 10 . ? 17.092 2.565 12.104 1.00 14.68 ? 696 HOH A O 1 HETATM 2852 O O . HOH Z 10 . ? 13.323 4.776 16.638 1.00 17.85 ? 697 HOH A O 1 HETATM 2853 O O . HOH Z 10 . ? 25.494 -1.672 21.300 1.00 18.65 ? 698 HOH A O 1 HETATM 2854 O O . HOH Z 10 . ? 3.246 -12.970 3.786 1.00 20.91 ? 699 HOH A O 1 HETATM 2855 O O . HOH Z 10 . ? 5.504 -13.251 -2.760 1.00 22.55 ? 700 HOH A O 1 HETATM 2856 O O . HOH Z 10 . ? 32.275 3.257 8.219 1.00 22.16 ? 701 HOH A O 1 HETATM 2857 O O . HOH Z 10 . ? 25.983 0.845 19.887 1.00 21.57 ? 702 HOH A O 1 HETATM 2858 O O . HOH Z 10 . ? 6.326 -1.052 11.612 1.00 9.50 ? 703 HOH A O 1 HETATM 2859 O O . HOH Z 10 . ? -3.537 -2.762 4.252 1.00 21.09 ? 704 HOH A O 1 HETATM 2860 O O . HOH Z 10 . ? 27.251 -1.195 11.111 1.00 25.84 ? 705 HOH A O 1 HETATM 2861 O O . HOH Z 10 . ? 18.305 5.099 12.619 1.00 15.71 ? 706 HOH A O 1 HETATM 2862 O O . HOH Z 10 . ? 19.738 -13.889 10.927 1.00 26.25 ? 707 HOH A O 1 HETATM 2863 O O . HOH Z 10 . ? -0.536 3.639 5.717 1.00 22.39 ? 708 HOH A O 1 HETATM 2864 O O . HOH Z 10 . ? 1.497 -13.888 19.302 1.00 20.01 ? 709 HOH A O 1 HETATM 2865 O O . HOH Z 10 . ? 19.394 -1.605 14.223 1.00 25.97 ? 710 HOH A O 1 HETATM 2866 O O . HOH Z 10 . ? 14.058 -5.707 23.672 1.00 29.29 ? 711 HOH A O 1 HETATM 2867 O O . HOH Z 10 . ? 17.978 -5.873 23.374 1.00 18.81 ? 712 HOH A O 1 HETATM 2868 O O . HOH Z 10 . ? 25.564 -9.550 19.229 1.00 23.08 ? 713 HOH A O 1 HETATM 2869 O O . HOH Z 10 . ? 7.232 6.304 -1.707 1.00 43.96 ? 714 HOH A O 1 HETATM 2870 O O . HOH Z 10 . ? 24.572 -17.666 22.405 1.00 48.12 ? 715 HOH A O 1 HETATM 2871 O O . HOH Z 10 . ? -0.676 -16.636 -4.252 1.00 21.88 ? 716 HOH A O 1 HETATM 2872 O O . HOH Z 10 . ? 14.370 13.168 16.138 1.00 31.86 ? 717 HOH A O 1 HETATM 2873 O O . HOH Z 10 . ? -0.217 -11.472 19.896 1.00 23.57 ? 718 HOH A O 1 HETATM 2874 O O . HOH Z 10 . ? 3.154 -0.008 5.693 1.00 20.97 ? 719 HOH A O 1 HETATM 2875 O O . HOH Z 10 . ? 22.451 -0.861 21.003 1.00 15.70 ? 720 HOH A O 1 HETATM 2876 O O . HOH Z 10 . ? 22.773 -7.480 19.377 1.00 18.82 ? 721 HOH A O 1 HETATM 2877 O O . HOH Z 10 . ? 6.948 12.089 17.466 1.00 25.27 ? 722 HOH A O 1 HETATM 2878 O O . HOH Z 10 . ? 19.695 -10.115 -2.114 1.00 37.68 ? 723 HOH A O 1 HETATM 2879 O O . HOH Z 10 . ? 19.190 -0.645 9.311 1.00 22.80 ? 724 HOH A O 1 HETATM 2880 O O . HOH Z 10 . ? 6.096 -11.840 27.369 1.00 32.43 ? 725 HOH A O 1 HETATM 2881 O O . HOH Z 10 . ? 5.268 -15.406 4.536 1.00 19.38 ? 726 HOH A O 1 HETATM 2882 O O . HOH Z 10 . ? 28.449 16.444 29.385 1.00 38.51 ? 727 HOH A O 1 HETATM 2883 O O . HOH Z 10 . ? 23.761 -9.020 30.691 1.00 39.39 ? 728 HOH A O 1 HETATM 2884 O O . HOH Z 10 . ? 21.628 -7.317 -8.877 1.00 46.55 ? 729 HOH A O 1 HETATM 2885 O O . HOH Z 10 . ? 23.230 13.424 -2.032 1.00 51.98 ? 730 HOH A O 1 HETATM 2886 O O . HOH Z 10 . ? -4.965 -3.048 -2.528 1.00 27.71 ? 731 HOH A O 1 HETATM 2887 O O . HOH Z 10 . ? 28.314 6.392 32.385 1.00 18.85 ? 732 HOH A O 1 HETATM 2888 O O . HOH Z 10 . ? 23.112 -1.918 17.905 1.00 37.26 ? 733 HOH A O 1 HETATM 2889 O O . HOH Z 10 . ? 19.137 -5.942 12.097 1.00 40.94 ? 734 HOH A O 1 HETATM 2890 O O . HOH Z 10 . ? 39.194 -9.388 14.512 1.00 47.20 ? 735 HOH A O 1 HETATM 2891 O O . HOH Z 10 . ? 18.841 -0.198 19.840 1.00 29.23 ? 736 HOH A O 1 HETATM 2892 O O . HOH Z 10 . ? 23.587 -4.774 33.555 1.00 29.07 ? 737 HOH A O 1 HETATM 2893 O O . HOH Z 10 . ? 37.470 -3.299 25.056 1.00 35.14 ? 738 HOH A O 1 HETATM 2894 O O . HOH Z 10 . ? 21.306 -0.726 7.431 1.00 23.88 ? 739 HOH A O 1 HETATM 2895 O O . HOH Z 10 . ? 0.979 6.527 5.141 1.00 38.79 ? 740 HOH A O 1 HETATM 2896 O O . HOH Z 10 . ? 27.313 -7.236 31.638 1.00 24.09 ? 741 HOH A O 1 HETATM 2897 O O . HOH Z 10 . ? 16.879 3.844 7.977 1.00 32.55 ? 742 HOH A O 1 HETATM 2898 O O . HOH Z 10 . ? 22.549 -5.625 17.424 1.00 28.32 ? 743 HOH A O 1 HETATM 2899 O O . HOH Z 10 . ? 18.941 -4.267 14.551 1.00 27.56 ? 744 HOH A O 1 HETATM 2900 O O . HOH Z 10 . ? 17.814 -2.117 7.662 1.00 31.38 ? 745 HOH A O 1 HETATM 2901 O O . HOH Z 10 . ? 33.332 13.597 12.798 1.00 43.66 ? 746 HOH A O 1 HETATM 2902 O O . HOH Z 10 . ? 30.915 -6.469 31.096 1.00 45.63 ? 747 HOH A O 1 HETATM 2903 O O . HOH Z 10 . ? 30.062 12.336 36.697 1.00 47.66 ? 748 HOH A O 1 HETATM 2904 O O . HOH Z 10 . ? 15.217 11.477 14.100 1.00 35.82 ? 749 HOH A O 1 HETATM 2905 O O . HOH Z 10 . ? 20.800 4.888 9.677 1.00 31.29 ? 750 HOH A O 1 HETATM 2906 O O . HOH Z 10 . ? 12.310 -0.217 38.163 1.00 43.32 ? 751 HOH A O 1 HETATM 2907 O O . HOH Z 10 . ? 49.131 14.492 17.263 1.00 58.12 ? 752 HOH A O 1 HETATM 2908 O O . HOH Z 10 . ? 28.142 3.420 5.538 1.00 31.35 ? 753 HOH A O 1 HETATM 2909 O O . HOH Z 10 . ? 21.744 23.777 -1.590 1.00 40.74 ? 754 HOH A O 1 HETATM 2910 O O . HOH Z 10 . ? 42.389 4.083 -0.741 1.00 57.77 ? 755 HOH A O 1 HETATM 2911 O O . HOH Z 10 . ? 16.544 -5.144 26.394 1.00 31.17 ? 756 HOH A O 1 HETATM 2912 O O . HOH Z 10 . ? 24.132 -14.456 14.520 1.00 39.63 ? 757 HOH A O 1 HETATM 2913 O O . HOH Z 10 . ? -2.286 1.966 22.474 1.00 50.47 ? 758 HOH A O 1 HETATM 2914 O O . HOH Z 10 . ? 7.008 -20.652 22.880 1.00 34.73 ? 759 HOH A O 1 HETATM 2915 O O . HOH Z 10 . ? 17.012 14.388 28.279 1.00 33.18 ? 760 HOH A O 1 HETATM 2916 O O . HOH Z 10 . ? 16.687 -19.663 4.024 1.00 36.94 ? 761 HOH A O 1 HETATM 2917 O O . HOH Z 10 . ? -8.656 0.174 7.313 1.00 45.97 ? 762 HOH A O 1 HETATM 2918 O O . HOH Z 10 . ? 19.440 -0.068 -6.060 1.00 54.28 ? 763 HOH A O 1 HETATM 2919 O O . HOH Z 10 . ? 18.389 -7.737 33.605 1.00 33.67 ? 764 HOH A O 1 HETATM 2920 O O . HOH Z 10 . ? 11.727 17.376 28.766 1.00 40.46 ? 765 HOH A O 1 HETATM 2921 O O . HOH Z 10 . ? 20.816 -12.855 14.024 1.00 43.79 ? 766 HOH A O 1 HETATM 2922 O O . HOH Z 10 . ? 15.392 -22.333 12.160 1.00 33.24 ? 767 HOH A O 1 HETATM 2923 O O . HOH Z 10 . ? 23.307 11.767 1.095 1.00 58.45 ? 768 HOH A O 1 HETATM 2924 O O . HOH Z 10 . ? 20.460 -4.170 19.377 1.00 30.61 ? 769 HOH A O 1 HETATM 2925 O O . HOH Z 10 . ? 9.918 1.447 24.543 1.00 37.72 ? 770 HOH A O 1 HETATM 2926 O O . HOH Z 10 . ? 30.863 8.828 8.279 1.00 34.33 ? 771 HOH A O 1 HETATM 2927 O O . HOH Z 10 . ? 13.228 -3.420 27.020 1.00 42.19 ? 772 HOH A O 1 HETATM 2928 O O . HOH Z 10 . ? 11.009 -20.975 13.800 1.00 29.06 ? 773 HOH A O 1 HETATM 2929 O O . HOH Z 10 . ? 22.246 -1.347 15.404 1.00 18.83 ? 774 HOH A O 1 HETATM 2930 O O . HOH Z 10 . ? 15.571 22.545 22.395 1.00 33.90 ? 775 HOH A O 1 HETATM 2931 O O . HOH Z 10 . ? 33.301 2.871 3.263 1.00 44.12 ? 776 HOH A O 1 HETATM 2932 O O . HOH Z 10 . ? -3.799 16.825 27.150 1.00 54.28 ? 777 HOH A O 1 HETATM 2933 O O . HOH Z 10 . ? 20.971 1.028 17.366 1.00 38.49 ? 778 HOH A O 1 HETATM 2934 O O . HOH Z 10 . ? 22.406 -11.824 7.109 1.00 28.71 ? 779 HOH A O 1 HETATM 2935 O O . HOH Z 10 . ? 1.121 -17.331 25.661 1.00 35.72 ? 780 HOH A O 1 HETATM 2936 O O . HOH Z 10 . ? 19.466 -2.492 -6.272 1.00 44.62 ? 781 HOH A O 1 HETATM 2937 O O . HOH Z 10 . ? 22.024 -3.755 6.809 1.00 53.91 ? 782 HOH A O 1 HETATM 2938 O O . HOH Z 10 . ? 29.612 15.323 4.097 1.00 69.86 ? 783 HOH A O 1 HETATM 2939 O O . HOH Z 10 . ? 48.854 17.752 23.307 1.00 66.88 ? 784 HOH A O 1 HETATM 2940 O O . HOH Z 10 . ? 24.680 16.817 19.356 1.00 37.83 ? 785 HOH A O 1 HETATM 2941 O O . HOH Z 10 . ? -0.376 3.965 21.745 1.00 39.19 ? 786 HOH A O 1 HETATM 2942 O O . HOH Z 10 . ? 23.169 -16.542 8.400 1.00 37.19 ? 787 HOH A O 1 HETATM 2943 O O . HOH Z 10 . ? 27.622 21.369 22.654 1.00 41.77 ? 788 HOH A O 1 HETATM 2944 O O . HOH Z 10 . ? 31.190 18.629 22.936 1.00 52.04 ? 789 HOH A O 1 HETATM 2945 O O . HOH Z 10 . ? 15.312 -25.396 20.273 1.00 52.63 ? 790 HOH A O 1 HETATM 2946 O O . HOH Z 10 . ? -4.877 -5.676 -3.078 1.00 30.27 ? 791 HOH A O 1 HETATM 2947 O O . HOH Z 10 . ? 12.959 -8.448 28.086 1.00 39.97 ? 792 HOH A O 1 HETATM 2948 O O . HOH Z 10 . ? -7.202 -5.352 28.573 1.00 76.42 ? 793 HOH A O 1 HETATM 2949 O O . HOH Z 10 . ? 6.543 -0.372 25.022 1.00 39.32 ? 794 HOH A O 1 HETATM 2950 O O . HOH Z 10 . ? -0.194 -6.015 30.633 1.00 61.82 ? 795 HOH A O 1 HETATM 2951 O O . HOH Z 10 . ? 32.659 2.841 37.695 1.00 35.09 ? 796 HOH A O 1 HETATM 2952 O O . HOH Z 10 . ? 5.072 -2.799 25.342 1.00 32.08 ? 797 HOH A O 1 HETATM 2953 O O . HOH Z 10 . ? 5.162 -13.129 -5.472 1.00 72.51 ? 798 HOH A O 1 HETATM 2954 O O . HOH Z 10 . ? 8.867 -22.078 6.936 1.00 47.99 ? 799 HOH A O 1 HETATM 2955 O O . HOH Z 10 . ? 20.709 16.561 23.689 1.00 39.57 ? 800 HOH A O 1 HETATM 2956 O O . HOH Z 10 . ? 20.187 -2.229 21.130 1.00 21.45 ? 801 HOH A O 1 HETATM 2957 O O . HOH Z 10 . ? 6.939 -3.972 -4.426 1.00 42.58 ? 802 HOH A O 1 HETATM 2958 O O . HOH Z 10 . ? -7.120 -5.709 12.402 1.00 47.68 ? 803 HOH A O 1 HETATM 2959 O O . HOH Z 10 . ? -1.222 18.156 14.382 1.00 45.79 ? 804 HOH A O 1 HETATM 2960 O O . HOH Z 10 . ? 25.947 11.543 -8.574 1.00 46.40 ? 805 HOH A O 1 HETATM 2961 O O . HOH Z 10 . ? 26.057 16.999 24.246 1.00 41.68 ? 806 HOH A O 1 HETATM 2962 O O . HOH Z 10 . ? 22.814 -13.880 25.759 1.00 42.79 ? 807 HOH A O 1 HETATM 2963 O O . HOH Z 10 . ? 5.737 16.413 12.172 1.00 66.56 ? 808 HOH A O 1 HETATM 2964 O O . HOH Z 10 . ? 31.997 19.411 14.001 1.00 45.19 ? 809 HOH A O 1 HETATM 2965 O O . HOH Z 10 . ? 7.442 -10.558 29.287 1.00 47.13 ? 810 HOH A O 1 HETATM 2966 O O . HOH Z 10 . ? 22.188 11.723 32.935 1.00 29.45 ? 811 HOH A O 1 HETATM 2967 O O . HOH Z 10 . ? 32.175 13.082 33.441 1.00 34.27 ? 812 HOH A O 1 HETATM 2968 O O . HOH Z 10 . ? 4.329 9.624 12.492 1.00 42.94 ? 813 HOH A O 1 HETATM 2969 O O . HOH Z 10 . ? 11.396 -12.475 -4.063 1.00 34.07 ? 814 HOH A O 1 HETATM 2970 O O . HOH Z 10 . ? -2.396 13.981 25.367 1.00 47.97 ? 815 HOH A O 1 HETATM 2971 O O . HOH Z 10 . ? 17.933 5.707 9.446 1.00 51.78 ? 816 HOH A O 1 HETATM 2972 O O . HOH Z 10 . ? 6.592 13.715 13.244 1.00 49.25 ? 817 HOH A O 1 HETATM 2973 O O . HOH Z 10 . ? 14.080 -24.473 22.890 1.00 38.18 ? 818 HOH A O 1 HETATM 2974 O O . HOH Z 10 . ? 38.667 10.166 19.835 1.00 39.32 ? 819 HOH A O 1 HETATM 2975 O O . HOH Z 10 . ? 0.374 -13.371 -6.728 1.00 57.11 ? 820 HOH A O 1 HETATM 2976 O O . HOH Z 10 . ? 14.351 9.148 37.487 1.00 66.39 ? 821 HOH A O 1 HETATM 2977 O O . HOH Z 10 . ? 17.368 6.546 -5.518 1.00 46.18 ? 822 HOH A O 1 HETATM 2978 O O . HOH Z 10 . ? 2.449 -20.480 7.033 1.00 50.73 ? 823 HOH A O 1 HETATM 2979 O O . HOH Z 10 . ? -3.878 15.715 17.024 1.00 71.30 ? 824 HOH A O 1 HETATM 2980 O O . HOH Z 10 . ? 47.279 12.055 15.604 1.00 42.60 ? 825 HOH A O 1 HETATM 2981 O O . HOH Z 10 . ? 20.658 16.690 12.600 1.00 46.34 ? 826 HOH A O 1 HETATM 2982 O O . HOH Z 10 . ? 9.133 10.844 -0.536 1.00 48.95 ? 827 HOH A O 1 HETATM 2983 O O . HOH Z 10 . ? 31.075 -9.498 14.811 1.00 57.56 ? 828 HOH A O 1 HETATM 2984 O O . HOH Z 10 . ? 22.534 -4.287 1.897 1.00 48.48 ? 829 HOH A O 1 HETATM 2985 O O . HOH Z 10 . ? 37.047 -1.830 29.810 1.00 74.49 ? 830 HOH A O 1 HETATM 2986 O O . HOH Z 10 . ? 19.508 14.037 6.788 1.00 56.56 ? 831 HOH A O 1 HETATM 2987 O O . HOH Z 10 . ? -6.403 -13.172 4.735 1.00 56.85 ? 832 HOH A O 1 HETATM 2988 O O . HOH Z 10 . ? 33.818 13.559 10.115 1.00 48.34 ? 833 HOH A O 1 HETATM 2989 O O . HOH Z 10 . ? 31.238 -3.964 34.894 1.00 36.89 ? 834 HOH A O 1 HETATM 2990 O O . HOH Z 10 . ? 23.260 16.965 26.252 1.00 49.67 ? 835 HOH A O 1 HETATM 2991 O O . HOH Z 10 . ? 14.785 17.303 18.563 1.00 45.08 ? 836 HOH A O 1 HETATM 2992 O O . HOH Z 10 . ? 3.177 3.326 20.760 1.00 35.05 ? 837 HOH A O 1 HETATM 2993 O O . HOH Z 10 . ? 22.102 -1.505 -0.084 1.00 38.97 ? 838 HOH A O 1 HETATM 2994 O O . HOH Z 10 . ? 4.277 11.135 7.573 1.00 46.63 ? 839 HOH A O 1 HETATM 2995 O O . HOH Z 10 . ? 1.839 9.326 8.150 1.00 25.50 ? 840 HOH A O 1 HETATM 2996 O O . HOH Z 10 . ? -2.573 -14.706 27.207 1.00 36.40 ? 841 HOH A O 1 HETATM 2997 O O . HOH Z 10 . ? -3.032 20.164 17.106 1.00 59.05 ? 842 HOH A O 1 HETATM 2998 O O . HOH Z 10 . ? -9.587 -14.457 17.008 1.00 61.31 ? 843 HOH A O 1 HETATM 2999 O O . HOH Z 10 . ? 21.636 -5.598 14.922 1.00 38.28 ? 844 HOH A O 1 HETATM 3000 O O . HOH Z 10 . ? 11.668 15.241 16.576 1.00 64.56 ? 845 HOH A O 1 HETATM 3001 O O . HOH Z 10 . ? 13.040 -21.317 11.573 1.00 46.41 ? 846 HOH A O 1 HETATM 3002 O O . HOH Z 10 . ? 33.302 -9.731 5.688 1.00 59.73 ? 847 HOH A O 1 HETATM 3003 O O . HOH Z 10 . ? -9.180 -8.599 26.568 1.00 50.75 ? 848 HOH A O 1 HETATM 3004 O O . HOH Z 10 . ? 2.626 24.803 27.635 1.00 46.93 ? 849 HOH A O 1 HETATM 3005 O O . HOH Z 10 . ? 32.422 0.486 3.337 1.00 32.24 ? 850 HOH A O 1 HETATM 3006 O O . HOH Z 10 . ? 40.605 2.263 -0.890 1.00 43.90 ? 851 HOH A O 1 HETATM 3007 O O . HOH Z 10 . ? 16.458 -16.022 -1.193 1.00 48.17 ? 852 HOH A O 1 HETATM 3008 O O . HOH Z 10 . ? -8.494 23.100 22.295 1.00 38.34 ? 853 HOH A O 1 HETATM 3009 O O . HOH Z 10 . ? 51.742 16.480 22.401 1.00 52.49 ? 854 HOH A O 1 HETATM 3010 O O . HOH Z 10 . ? -5.979 19.819 25.271 1.00 47.81 ? 855 HOH A O 1 HETATM 3011 O O . HOH Z 10 . ? 17.957 3.875 -7.259 1.00 72.44 ? 856 HOH A O 1 HETATM 3012 O O . HOH Z 10 . ? 25.782 17.408 31.928 1.00 42.71 ? 857 HOH A O 1 HETATM 3013 O O . HOH Z 10 . ? 29.194 -11.806 13.183 1.00 53.76 ? 858 HOH A O 1 HETATM 3014 O O . HOH Z 10 . ? 11.170 9.774 35.879 1.00 67.63 ? 859 HOH A O 1 HETATM 3015 O O . HOH Z 10 . ? 31.560 -7.260 12.304 1.00 42.39 ? 860 HOH A O 1 HETATM 3016 O O . HOH Z 10 . ? 33.850 -3.305 10.075 1.00 55.49 ? 861 HOH A O 1 HETATM 3017 O O . HOH Z 10 . ? 20.156 -11.126 10.421 1.00 52.57 ? 862 HOH A O 1 HETATM 3018 O O . HOH Z 10 . ? 36.561 -15.109 17.541 1.00 60.39 ? 863 HOH A O 1 HETATM 3019 O O . HOH Z 10 . ? 38.195 -12.096 17.397 1.00 64.60 ? 864 HOH A O 1 HETATM 3020 O O . HOH Z 10 . ? 14.665 -20.332 -2.639 1.00 87.47 ? 865 HOH A O 1 HETATM 3021 O O . HOH Z 10 . ? 9.621 2.326 30.869 1.00 96.52 ? 866 HOH A O 1 HETATM 3022 O O . HOH Z 10 . ? -4.503 -11.813 30.217 1.00 67.24 ? 867 HOH A O 1 HETATM 3023 O O . HOH Z 10 . ? -2.555 -11.042 -6.540 1.00 63.10 ? 868 HOH A O 1 HETATM 3024 O O . HOH Z 10 . ? -2.719 -9.220 -8.454 1.00 52.69 ? 869 HOH A O 1 HETATM 3025 O O . HOH Z 10 . ? 25.369 -7.743 33.789 1.00 74.48 ? 870 HOH A O 1 HETATM 3026 O O . HOH Z 10 . ? 32.207 -2.876 32.621 1.00 43.01 ? 871 HOH A O 1 HETATM 3027 O O . HOH Z 10 . ? 6.299 -4.674 32.239 1.00 81.08 ? 872 HOH A O 1 HETATM 3028 O O . HOH Z 10 . ? 21.281 1.288 15.027 1.00 45.43 ? 873 HOH A O 1 HETATM 3029 O O . HOH Z 10 . ? 12.910 4.986 5.936 1.00 24.93 ? 874 HOH A O 1 HETATM 3030 O O . HOH Z 10 . ? -0.875 -11.571 -10.149 1.00 51.72 ? 875 HOH A O 1 HETATM 3031 O O . HOH Z 10 . ? 16.552 12.058 30.345 1.00 49.62 ? 876 HOH A O 1 HETATM 3032 O O . HOH Z 10 . ? 13.107 -0.634 27.103 1.00 47.25 ? 877 HOH A O 1 HETATM 3033 O O . HOH Z 10 . ? 5.411 -8.356 -9.894 1.00 84.67 ? 878 HOH A O 1 HETATM 3034 O O . HOH Z 10 . ? 9.296 -4.837 33.842 1.00 54.25 ? 879 HOH A O 1 HETATM 3035 O O . HOH Z 10 . ? 7.701 -17.049 -14.776 1.00 89.42 ? 880 HOH A O 1 HETATM 3036 O O . HOH Z 10 . ? 34.692 -11.228 20.961 1.00 81.63 ? 881 HOH A O 1 HETATM 3037 O O . HOH Z 10 . ? -7.828 -7.966 11.854 1.00 46.95 ? 882 HOH A O 1 HETATM 3038 O O . HOH Z 10 . ? -7.918 1.562 10.217 1.00 94.11 ? 883 HOH A O 1 HETATM 3039 O O . HOH Z 10 . ? 5.094 -17.197 -14.020 1.00 68.39 ? 884 HOH A O 1 HETATM 3040 O O . HOH Z 10 . ? 35.756 -5.076 10.100 1.00 79.28 ? 885 HOH A O 1 HETATM 3041 O O . HOH Z 10 . ? 30.998 -13.477 15.374 1.00 65.45 ? 886 HOH A O 1 HETATM 3042 O O . HOH Z 10 . ? -1.434 -19.360 20.210 1.00 46.47 ? 887 HOH A O 1 HETATM 3043 O O . HOH Z 10 . ? 9.263 -13.666 -8.958 1.00 56.72 ? 888 HOH A O 1 HETATM 3044 O O . HOH Z 10 . ? 29.065 -13.613 4.082 1.00 73.60 ? 889 HOH A O 1 HETATM 3045 O O . HOH Z 10 . ? -8.226 2.703 12.989 1.00 86.15 ? 890 HOH A O 1 HETATM 3046 O O . HOH Z 10 . ? 36.817 -8.507 17.447 1.00 59.36 ? 891 HOH A O 1 HETATM 3047 O O . HOH Z 10 . ? 12.028 8.539 39.690 1.00 84.84 ? 892 HOH A O 1 HETATM 3048 O O . HOH Z 10 . ? 30.842 -12.929 10.705 1.00 89.08 ? 893 HOH A O 1 HETATM 3049 O O . HOH Z 10 . ? 21.155 -7.687 13.423 1.00 44.25 ? 894 HOH A O 1 HETATM 3050 O O . HOH Z 10 . ? 35.152 -15.656 13.078 1.00 74.08 ? 895 HOH A O 1 HETATM 3051 O O . HOH Z 10 . ? 11.834 -12.995 -8.879 1.00 88.17 ? 896 HOH A O 1 HETATM 3052 O O . HOH Z 10 . ? 29.181 -10.412 9.157 1.00 71.72 ? 897 HOH A O 1 HETATM 3053 O O . HOH Z 10 . ? 10.588 -17.023 -1.010 1.00 74.23 ? 898 HOH A O 1 HETATM 3054 O O . HOH Z 10 . ? 8.917 -17.413 -5.830 1.00 59.49 ? 899 HOH A O 1 HETATM 3055 O O . HOH Z 10 . ? -10.028 6.556 11.146 1.00 70.22 ? 900 HOH A O 1 HETATM 3056 O O . HOH Z 10 . ? -5.318 4.898 8.104 1.00 85.29 ? 901 HOH A O 1 HETATM 3057 O O . HOH Z 10 . ? 38.057 15.611 19.069 1.00 96.96 ? 902 HOH A O 1 HETATM 3058 O O . HOH Z 10 . ? -7.512 6.419 10.408 1.00 79.63 ? 903 HOH A O 1 HETATM 3059 O O . HOH Z 10 . ? -12.987 0.537 19.225 1.00 51.97 ? 904 HOH A O 1 HETATM 3060 O O . HOH Z 10 . ? -12.830 -2.521 14.945 1.00 57.08 ? 905 HOH A O 1 HETATM 3061 O O . HOH Z 10 . ? -10.357 -19.806 16.848 1.00 52.65 ? 906 HOH A O 1 HETATM 3062 O O . HOH Z 10 . ? -7.643 -18.459 18.244 1.00 46.68 ? 907 HOH A O 1 HETATM 3063 O O . HOH Z 10 . ? -13.332 -2.916 19.473 1.00 62.08 ? 908 HOH A O 1 HETATM 3064 O O . HOH Z 10 . ? 24.018 -17.566 10.934 1.00 55.96 ? 909 HOH A O 1 HETATM 3065 O O . HOH Z 10 . ? 15.409 -24.574 13.024 1.00 79.07 ? 910 HOH A O 1 HETATM 3066 O O . HOH Z 10 . ? 9.475 6.609 -4.935 1.00 63.25 ? 911 HOH A O 1 HETATM 3067 O O . HOH Z 10 . ? 24.681 -16.775 14.970 1.00 69.47 ? 912 HOH A O 1 HETATM 3068 O O . HOH Z 10 . ? 6.559 -22.691 4.381 1.00 44.52 ? 913 HOH A O 1 HETATM 3069 O O . HOH Z 10 . ? 24.130 -14.367 7.510 1.00 70.22 ? 914 HOH A O 1 HETATM 3070 O O . HOH Z 10 . ? 15.404 -18.831 -4.186 1.00 48.52 ? 915 HOH A O 1 HETATM 3071 O O . HOH Z 10 . ? 29.864 11.528 4.376 1.00 75.75 ? 916 HOH A O 1 HETATM 3072 O O . HOH Z 10 . ? 18.845 -20.012 4.406 1.00 40.02 ? 917 HOH A O 1 HETATM 3073 O O . HOH Z 10 . ? -4.463 -14.760 5.124 1.00 65.92 ? 918 HOH A O 1 HETATM 3074 O O . HOH Z 10 . ? 25.994 -22.497 20.800 1.00 63.64 ? 919 HOH A O 1 HETATM 3075 O O . HOH Z 10 . ? -9.289 -3.847 10.933 1.00 56.13 ? 920 HOH A O 1 HETATM 3076 O O . HOH Z 10 . ? 9.928 -21.507 2.603 1.00 37.47 ? 921 HOH A O 1 HETATM 3077 O O . HOH Z 10 . ? 13.470 -20.321 -4.785 1.00 81.78 ? 922 HOH A O 1 HETATM 3078 O O . HOH Z 10 . ? 35.681 14.606 28.807 1.00 57.00 ? 923 HOH A O 1 HETATM 3079 O O . HOH Z 10 . ? 38.705 13.711 30.087 1.00 54.54 ? 924 HOH A O 1 HETATM 3080 O O . HOH Z 10 . ? 36.512 12.179 30.421 1.00 37.89 ? 925 HOH A O 1 HETATM 3081 O O . HOH Z 10 . ? 39.183 16.366 31.931 1.00 73.91 ? 926 HOH A O 1 HETATM 3082 O O . HOH Z 10 . ? 33.228 17.178 31.811 1.00 43.50 ? 927 HOH A O 1 HETATM 3083 O O . HOH Z 10 . ? 1.522 6.876 8.484 1.00 57.44 ? 928 HOH A O 1 HETATM 3084 O O . HOH Z 10 . ? 3.625 10.056 9.436 1.00 64.39 ? 929 HOH A O 1 HETATM 3085 O O . HOH Z 10 . ? 4.724 15.151 10.157 1.00 42.70 ? 930 HOH A O 1 HETATM 3086 O O . HOH Z 10 . ? 11.403 18.903 27.016 1.00 36.12 ? 931 HOH A O 1 HETATM 3087 O O . HOH Z 10 . ? 9.307 17.542 30.265 1.00 57.98 ? 932 HOH A O 1 HETATM 3088 O O . HOH Z 10 . ? 28.653 19.492 24.211 1.00 51.47 ? 933 HOH A O 1 HETATM 3089 O O . HOH Z 10 . ? 34.432 16.722 29.464 1.00 59.13 ? 934 HOH A O 1 HETATM 3090 O O . HOH Z 10 . ? 30.037 22.305 21.008 1.00 54.22 ? 935 HOH A O 1 HETATM 3091 O O . HOH Z 10 . ? 19.453 0.873 -8.349 1.00 44.95 ? 936 HOH A O 1 HETATM 3092 O O . HOH Z 10 . ? 14.037 -22.945 10.103 1.00 73.88 ? 937 HOH A O 1 HETATM 3093 O O . HOH Z 10 . ? 19.594 -0.996 17.301 1.00 49.23 ? 938 HOH A O 1 HETATM 3094 O O . HOH Z 10 . ? 6.777 8.833 15.472 1.00 76.50 ? 939 HOH A O 1 HETATM 3095 O O . HOH Z 10 . ? 5.059 -23.697 14.991 1.00 62.72 ? 940 HOH A O 1 HETATM 3096 O O . HOH Z 10 . ? -6.093 14.609 28.294 1.00 71.97 ? 941 HOH A O 1 HETATM 3097 O O . HOH Z 10 . ? -1.695 19.524 27.610 1.00 55.49 ? 942 HOH A O 1 HETATM 3098 O O . HOH Z 10 . ? -0.231 17.587 26.897 1.00 79.37 ? 943 HOH A O 1 HETATM 3099 O O . HOH Z 10 . ? 52.235 17.685 19.326 1.00 57.58 ? 944 HOH A O 1 HETATM 3100 O O . HOH Z 10 . ? -11.548 -1.795 27.331 1.00 56.16 ? 945 HOH A O 1 HETATM 3101 O O . HOH Z 10 . ? -14.108 -3.269 28.330 1.00 55.46 ? 946 HOH A O 1 HETATM 3102 O O . HOH Z 10 . ? 2.860 -2.470 27.502 1.00 41.74 ? 947 HOH A O 1 HETATM 3103 O O . HOH Z 10 . ? -3.254 -8.752 29.713 1.00 50.44 ? 948 HOH A O 1 HETATM 3104 O O . HOH Z 10 . ? 8.758 -1.861 29.126 1.00 76.87 ? 949 HOH A O 1 HETATM 3105 O O . HOH Z 10 . ? 7.047 -1.319 32.069 1.00 59.93 ? 950 HOH A O 1 HETATM 3106 O O . HOH Z 10 . ? 11.899 3.355 32.844 1.00 51.20 ? 951 HOH A O 1 HETATM 3107 O O . HOH Z 10 . ? 7.322 -19.276 -7.361 1.00 66.12 ? 952 HOH A O 1 HETATM 3108 O O . HOH Z 10 . ? -10.053 -0.028 1.430 1.00 54.43 ? 953 HOH A O 1 HETATM 3109 O O . HOH Z 10 . ? -8.041 -3.394 13.484 1.00 57.55 ? 954 HOH A O 1 HETATM 3110 O O . HOH Z 10 . ? 13.296 18.662 4.856 1.00 64.17 ? 955 HOH A O 1 HETATM 3111 O O . HOH Z 10 . ? 3.811 18.752 13.832 1.00 71.96 ? 956 HOH A O 1 HETATM 3112 O O . HOH Z 10 . ? 40.125 12.129 20.533 1.00 68.26 ? 957 HOH A O 1 HETATM 3113 O O . HOH Z 10 . ? -10.126 -3.736 14.764 1.00 56.32 ? 958 HOH A O 1 HETATM 3114 O O . HOH Z 10 . ? -12.739 3.030 14.724 1.00 61.61 ? 959 HOH A O 1 HETATM 3115 O O . HOH Z 10 . ? 40.541 14.533 19.519 1.00 79.66 ? 960 HOH A O 1 HETATM 3116 O O . HOH Z 10 . ? 25.409 -20.865 10.620 1.00 64.24 ? 961 HOH A O 1 HETATM 3117 O O . HOH Z 10 . ? 23.952 -23.672 11.766 1.00 78.99 ? 962 HOH A O 1 HETATM 3118 O O . HOH Z 10 . ? -9.997 2.504 14.337 1.00 81.16 ? 963 HOH A O 1 HETATM 3119 O O . HOH Z 10 . ? -11.737 -22.058 17.918 1.00 54.76 ? 964 HOH A O 1 HETATM 3120 O O . HOH Z 10 . ? 8.301 16.875 16.137 1.00 46.76 ? 965 HOH A O 1 HETATM 3121 O O . HOH Z 10 . ? 8.217 17.654 23.553 1.00 45.80 ? 966 HOH A O 1 HETATM 3122 O O . HOH Z 10 . ? 2.019 23.826 25.227 1.00 46.93 ? 967 HOH A O 1 HETATM 3123 O O . HOH Z 10 . ? 3.547 20.118 23.382 1.00 62.08 ? 968 HOH A O 1 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 TYR 1 342 342 TYR TYR A . n A 1 2 THR 2 343 343 THR THR A . n A 1 3 ARG 3 344 344 ARG ARG A . n A 1 4 VAL 4 345 345 VAL VAL A . n A 1 5 VAL 5 346 346 VAL VAL A . n A 1 6 TRP 6 347 347 TRP TRP A . n A 1 7 CYS 7 348 348 CYS CYS A . n A 1 8 ALA 8 349 349 ALA ALA A . n A 1 9 VAL 9 350 350 VAL VAL A . n A 1 10 GLY 10 351 351 GLY GLY A . n A 1 11 PRO 11 352 352 PRO PRO A . n A 1 12 GLU 12 353 353 GLU GLU A . n A 1 13 GLU 13 354 354 GLU GLU A . n A 1 14 GLN 14 355 355 GLN GLN A . n A 1 15 LYS 15 356 356 LYS LYS A . n A 1 16 LYS 16 357 357 LYS LYS A . n A 1 17 CYS 17 358 358 CYS CYS A . n A 1 18 GLN 18 359 359 GLN GLN A . n A 1 19 GLN 19 360 360 GLN GLN A . n A 1 20 TRP 20 361 361 TRP TRP A . n A 1 21 SER 21 362 362 SER SER A . n A 1 22 GLN 22 363 363 GLN GLN A . n A 1 23 GLN 23 364 364 GLN GLN A . n A 1 24 SER 24 365 365 SER SER A . n A 1 25 GLY 25 366 366 GLY GLY A . n A 1 26 GLN 26 367 367 GLN GLN A . n A 1 27 ASN 27 368 368 ASN ASN A . n A 1 28 VAL 28 369 369 VAL VAL A . n A 1 29 THR 29 370 370 THR THR A . n A 1 30 CYS 30 371 371 CYS CYS A . n A 1 31 ALA 31 372 372 ALA ALA A . n A 1 32 THR 32 373 373 THR THR A . n A 1 33 ALA 33 374 374 ALA ALA A . n A 1 34 SER 34 375 375 SER SER A . n A 1 35 THR 35 376 376 THR THR A . n A 1 36 THR 36 377 377 THR THR A . n A 1 37 ASP 37 378 378 ASP ASP A . n A 1 38 ASP 38 379 379 ASP ASP A . n A 1 39 CYS 39 380 380 CYS CYS A . n A 1 40 ILE 40 381 381 ILE ILE A . n A 1 41 VAL 41 382 382 VAL VAL A . n A 1 42 LEU 42 383 383 LEU LEU A . n A 1 43 VAL 43 384 384 VAL VAL A . n A 1 44 LEU 44 385 385 LEU LEU A . n A 1 45 LYS 45 386 386 LYS LYS A . n A 1 46 GLY 46 387 387 GLY GLY A . n A 1 47 GLU 47 388 388 GLU GLU A . n A 1 48 ALA 48 389 389 ALA ALA A . n A 1 49 ASP 49 390 390 ASP ASP A . n A 1 50 ALA 50 391 391 ALA ALA A . n A 1 51 LEU 51 392 392 LEU LEU A . n A 1 52 ASN 52 393 393 ASN ASN A . n A 1 53 LEU 53 394 394 LEU LEU A . n A 1 54 ASP 54 395 395 ASP ASP A . n A 1 55 GLY 55 396 396 GLY GLY A . n A 1 56 GLY 56 397 397 GLY GLY A . n A 1 57 TYR 57 398 398 TYR TYR A . n A 1 58 ILE 58 399 399 ILE ILE A . n A 1 59 TYR 59 400 400 TYR TYR A . n A 1 60 THR 60 401 401 THR THR A . n A 1 61 ALA 61 402 402 ALA ALA A . n A 1 62 GLY 62 403 403 GLY GLY A . n A 1 63 LYS 63 404 404 LYS LYS A . n A 1 64 CYS 64 405 405 CYS CYS A . n A 1 65 GLY 65 406 406 GLY GLY A . n A 1 66 LEU 66 407 407 LEU LEU A . n A 1 67 VAL 67 408 408 VAL VAL A . n A 1 68 PRO 68 409 409 PRO PRO A . n A 1 69 VAL 69 410 410 VAL VAL A . n A 1 70 LEU 70 411 411 LEU LEU A . n A 1 71 ALA 71 412 412 ALA ALA A . n A 1 72 GLU 72 413 413 GLU GLU A . n A 1 73 ASN 73 414 414 ASN ASN A . n A 1 74 ARG 74 415 415 ARG ARG A . n A 1 75 LYS 75 416 416 LYS LYS A . n A 1 76 SER 76 417 417 SER SER A . n A 1 77 SER 77 418 418 SER SER A . n A 1 78 LYS 78 419 419 LYS LYS A . n A 1 79 HIS 79 420 420 HIS HIS A . n A 1 80 SER 80 421 421 SER SER A . n A 1 81 SER 81 422 422 SER SER A . n A 1 82 LEU 82 423 423 LEU LEU A . n A 1 83 ASP 83 424 424 ASP ASP A . n A 1 84 CYS 84 425 425 CYS CYS A . n A 1 85 VAL 85 426 426 VAL VAL A . n A 1 86 LEU 86 427 427 LEU LEU A . n A 1 87 ARG 87 428 428 ARG ARG A . n A 1 88 PRO 88 429 429 PRO PRO A . n A 1 89 THR 89 430 430 THR THR A . n A 1 90 GLU 90 431 431 GLU GLU A . n A 1 91 GLY 91 432 432 GLY GLY A . n A 1 92 TYR 92 433 433 TYR TYR A . n A 1 93 LEU 93 434 434 LEU LEU A . n A 1 94 ALA 94 435 435 ALA ALA A . n A 1 95 VAL 95 436 436 VAL VAL A . n A 1 96 ALA 96 437 437 ALA ALA A . n A 1 97 VAL 97 438 438 VAL VAL A . n A 1 98 VAL 98 439 439 VAL VAL A . n A 1 99 LYS 99 440 440 LYS LYS A . n A 1 100 LYS 100 441 441 LYS LYS A . n A 1 101 ALA 101 442 442 ALA ALA A . n A 1 102 ASN 102 443 443 ASN ASN A . n A 1 103 GLU 103 444 444 GLU GLU A . n A 1 104 GLY 104 445 445 GLY GLY A . n A 1 105 LEU 105 446 446 LEU LEU A . n A 1 106 THR 106 447 447 THR THR A . n A 1 107 TRP 107 448 448 TRP TRP A . n A 1 108 ASN 108 449 449 ASN ASN A . n A 1 109 SER 109 450 450 SER SER A . n A 1 110 LEU 110 451 451 LEU LEU A . n A 1 111 LYS 111 452 452 LYS LYS A . n A 1 112 ASP 112 453 453 ASP ASP A . n A 1 113 LYS 113 454 454 LYS LYS A . n A 1 114 LYS 114 455 455 LYS LYS A . n A 1 115 SER 115 456 456 SER SER A . n A 1 116 CYS 116 457 457 CYS CYS A . n A 1 117 HIS 117 458 458 HIS HIS A . n A 1 118 THR 118 459 459 THR THR A . n A 1 119 ALA 119 460 460 ALA ALA A . n A 1 120 VAL 120 461 461 VAL VAL A . n A 1 121 ASP 121 462 462 ASP ASP A . n A 1 122 ARG 122 463 463 ARG ARG A . n A 1 123 THR 123 464 464 THR THR A . n A 1 124 ALA 124 465 465 ALA ALA A . n A 1 125 GLY 125 466 466 GLY GLY A . n A 1 126 TRP 126 467 467 TRP TRP A . n A 1 127 ASN 127 468 468 ASN ASN A . n A 1 128 ILE 128 469 469 ILE ILE A . n A 1 129 PRO 129 470 470 PRO PRO A . n A 1 130 MET 130 471 471 MET MET A . n A 1 131 GLY 131 472 472 GLY GLY A . n A 1 132 LEU 132 473 473 LEU LEU A . n A 1 133 ILE 133 474 474 ILE ILE A . n A 1 134 VAL 134 475 475 VAL VAL A . n A 1 135 ASN 135 476 476 ASN ASN A . n A 1 136 GLN 136 477 477 GLN GLN A . n A 1 137 THR 137 478 478 THR THR A . n A 1 138 GLY 138 479 479 GLY GLY A . n A 1 139 SER 139 480 480 SER SER A . n A 1 140 CYS 140 481 481 CYS CYS A . n A 1 141 ALA 141 482 482 ALA ALA A . n A 1 142 PHE 142 483 483 PHE PHE A . n A 1 143 ASP 143 484 484 ASP ASP A . n A 1 144 GLU 144 485 485 GLU GLU A . n A 1 145 PHE 145 486 486 PHE PHE A . n A 1 146 PHE 146 487 487 PHE PHE A . n A 1 147 SER 147 488 488 SER SER A . n A 1 148 GLN 148 489 489 GLN GLN A . n A 1 149 SER 149 490 490 SER SER A . n A 1 150 CYS 150 491 491 CYS CYS A . n A 1 151 ALA 151 492 492 ALA ALA A . n A 1 152 PRO 152 493 493 PRO PRO A . n A 1 153 GLY 153 494 494 GLY GLY A . n A 1 154 ALA 154 495 495 ALA ALA A . n A 1 155 ASP 155 496 496 ASP ASP A . n A 1 156 PRO 156 497 497 PRO PRO A . n A 1 157 LYS 157 498 498 LYS LYS A . n A 1 158 SER 158 499 499 SER SER A . n A 1 159 ARG 159 500 500 ARG ARG A . n A 1 160 LEU 160 501 501 LEU LEU A . n A 1 161 CYS 161 502 502 CYS CYS A . n A 1 162 ALA 162 503 503 ALA ALA A . n A 1 163 LEU 163 504 504 LEU LEU A . n A 1 164 CYS 164 505 505 CYS CYS A . n A 1 165 ALA 165 506 506 ALA ALA A . n A 1 166 GLY 166 507 507 GLY GLY A . n A 1 167 ASP 167 508 508 ASP ASP A . n A 1 168 ASP 168 509 509 ASP ASP A . n A 1 169 GLN 169 510 510 GLN GLN A . n A 1 170 GLY 170 511 511 GLY GLY A . n A 1 171 LEU 171 512 512 LEU LEU A . n A 1 172 ASP 172 513 513 ASP ASP A . n A 1 173 LYS 173 514 514 LYS LYS A . n A 1 174 CYS 174 515 515 CYS CYS A . n A 1 175 VAL 175 516 516 VAL VAL A . n A 1 176 PRO 176 517 517 PRO PRO A . n A 1 177 ASN 177 518 518 ASN ASN A . n A 1 178 SER 178 519 519 SER SER A . n A 1 179 LYS 179 520 520 LYS LYS A . n A 1 180 GLU 180 521 521 GLU GLU A . n A 1 181 LYS 181 522 522 LYS LYS A . n A 1 182 TYR 182 523 523 TYR TYR A . n A 1 183 TYR 183 524 524 TYR TYR A . n A 1 184 GLY 184 525 525 GLY GLY A . n A 1 185 TYR 185 526 526 TYR TYR A . n A 1 186 THR 186 527 527 THR THR A . n A 1 187 GLY 187 528 528 GLY GLY A . n A 1 188 ALA 188 529 529 ALA ALA A . n A 1 189 PHE 189 530 530 PHE PHE A . n A 1 190 ARG 190 531 531 ARG ARG A . n A 1 191 CYS 191 532 532 CYS CYS A . n A 1 192 LEU 192 533 533 LEU LEU A . n A 1 193 ALA 193 534 534 ALA ALA A . n A 1 194 GLU 194 535 535 GLU GLU A . n A 1 195 ASP 195 536 536 ASP ASP A . n A 1 196 VAL 196 537 537 VAL VAL A . n A 1 197 GLY 197 538 538 GLY GLY A . n A 1 198 ASP 198 539 539 ASP ASP A . n A 1 199 VAL 199 540 540 VAL VAL A . n A 1 200 ALA 200 541 541 ALA ALA A . n A 1 201 PHE 201 542 542 PHE PHE A . n A 1 202 VAL 202 543 543 VAL VAL A . n A 1 203 LYS 203 544 544 LYS LYS A . n A 1 204 ASN 204 545 545 ASN ASN A . n A 1 205 ASP 205 546 546 ASP ASP A . n A 1 206 THR 206 547 547 THR THR A . n A 1 207 VAL 207 548 548 VAL VAL A . n A 1 208 TRP 208 549 549 TRP TRP A . n A 1 209 GLU 209 550 550 GLU GLU A . n A 1 210 ASN 210 551 551 ASN ASN A . n A 1 211 THR 211 552 552 THR THR A . n A 1 212 ASN 212 553 553 ASN ASN A . n A 1 213 GLY 213 554 554 GLY GLY A . n A 1 214 GLU 214 555 555 GLU GLU A . n A 1 215 SER 215 556 556 SER SER A . n A 1 216 THR 216 557 557 THR THR A . n A 1 217 ALA 217 558 558 ALA ALA A . n A 1 218 ASP 218 559 559 ASP ASP A . n A 1 219 TRP 219 560 560 TRP TRP A . n A 1 220 ALA 220 561 561 ALA ALA A . n A 1 221 LYS 221 562 562 LYS LYS A . n A 1 222 ASN 222 563 563 ASN ASN A . n A 1 223 LEU 223 564 564 LEU LEU A . n A 1 224 LYS 224 565 565 LYS LYS A . n A 1 225 ARG 225 566 566 ARG ARG A . n A 1 226 GLU 226 567 567 GLU GLU A . n A 1 227 ASP 227 568 568 ASP ASP A . n A 1 228 PHE 228 569 569 PHE PHE A . n A 1 229 ARG 229 570 570 ARG ARG A . n A 1 230 LEU 230 571 571 LEU LEU A . n A 1 231 LEU 231 572 572 LEU LEU A . n A 1 232 CYS 232 573 573 CYS CYS A . n A 1 233 LEU 233 574 574 LEU LEU A . n A 1 234 ASP 234 575 575 ASP ASP A . n A 1 235 GLY 235 576 576 GLY GLY A . n A 1 236 THR 236 577 577 THR THR A . n A 1 237 ARG 237 578 578 ARG ARG A . n A 1 238 LYS 238 579 579 LYS LYS A . n A 1 239 PRO 239 580 580 PRO PRO A . n A 1 240 VAL 240 581 581 VAL VAL A . n A 1 241 THR 241 582 582 THR THR A . n A 1 242 GLU 242 583 583 GLU GLU A . n A 1 243 ALA 243 584 584 ALA ALA A . n A 1 244 GLN 244 585 585 GLN GLN A . n A 1 245 SER 245 586 586 SER SER A . n A 1 246 CYS 246 587 587 CYS CYS A . n A 1 247 HIS 247 588 588 HIS HIS A . n A 1 248 LEU 248 589 589 LEU LEU A . n A 1 249 ALA 249 590 590 ALA ALA A . n A 1 250 VAL 250 591 591 VAL VAL A . n A 1 251 ALA 251 592 592 ALA ALA A . n A 1 252 PRO 252 593 593 PRO PRO A . n A 1 253 ASN 253 594 594 ASN ASN A . n A 1 254 HIS 254 595 595 HIS HIS A . n A 1 255 ALA 255 596 596 ALA ALA A . n A 1 256 VAL 256 597 597 VAL VAL A . n A 1 257 VAL 257 598 598 VAL VAL A . n A 1 258 SER 258 599 599 SER SER A . n A 1 259 ARG 259 600 600 ARG ARG A . n A 1 260 SER 260 601 601 SER SER A . n A 1 261 ASP 261 602 602 ASP ASP A . n A 1 262 ARG 262 603 603 ARG ARG A . n A 1 263 ALA 263 604 604 ALA ALA A . n A 1 264 ALA 264 605 605 ALA ALA A . n A 1 265 HIS 265 606 606 HIS HIS A . n A 1 266 VAL 266 607 607 VAL VAL A . n A 1 267 GLU 267 608 608 GLU GLU A . n A 1 268 GLN 268 609 609 GLN GLN A . n A 1 269 VAL 269 610 610 VAL VAL A . n A 1 270 LEU 270 611 611 LEU LEU A . n A 1 271 LEU 271 612 612 LEU LEU A . n A 1 272 HIS 272 613 613 HIS HIS A . n A 1 273 GLN 273 614 614 GLN GLN A . n A 1 274 GLN 274 615 615 GLN GLN A . n A 1 275 ALA 275 616 616 ALA ALA A . n A 1 276 LEU 276 617 617 LEU LEU A . n A 1 277 PHE 277 618 618 PHE PHE A . n A 1 278 GLY 278 619 619 GLY GLY A . n A 1 279 LYS 279 620 620 LYS LYS A . n A 1 280 ASN 280 621 621 ASN ASN A . n A 1 281 GLY 281 622 622 GLY GLY A . n A 1 282 LYS 282 623 623 LYS LYS A . n A 1 283 ASN 283 624 624 ASN ASN A . n A 1 284 CYS 284 625 625 CYS CYS A . n A 1 285 PRO 285 626 626 PRO PRO A . n A 1 286 ASP 286 627 627 ASP ASP A . n A 1 287 LYS 287 628 628 LYS LYS A . n A 1 288 PHE 288 629 629 PHE PHE A . n A 1 289 CYS 289 630 630 CYS CYS A . n A 1 290 LEU 290 631 631 LEU LEU A . n A 1 291 PHE 291 632 632 PHE PHE A . n A 1 292 LYS 292 633 633 LYS LYS A . n A 1 293 SER 293 634 634 SER SER A . n A 1 294 GLU 294 635 635 GLU GLU A . n A 1 295 THR 295 636 636 THR THR A . n A 1 296 LYS 296 637 637 LYS LYS A . n A 1 297 ASN 297 638 638 ASN ASN A . n A 1 298 LEU 298 639 639 LEU LEU A . n A 1 299 LEU 299 640 640 LEU LEU A . n A 1 300 PHE 300 641 641 PHE PHE A . n A 1 301 ASN 301 642 642 ASN ASN A . n A 1 302 ASP 302 643 643 ASP ASP A . n A 1 303 ASN 303 644 644 ASN ASN A . n A 1 304 THR 304 645 645 THR THR A . n A 1 305 GLU 305 646 646 GLU GLU A . n A 1 306 CYS 306 647 647 CYS CYS A . n A 1 307 LEU 307 648 648 LEU LEU A . n A 1 308 ALA 308 649 649 ALA ALA A . n A 1 309 LYS 309 650 650 LYS LYS A . n A 1 310 LEU 310 651 651 LEU LEU A . n A 1 311 GLY 311 652 652 GLY GLY A . n A 1 312 GLY 312 653 653 GLY GLY A . n A 1 313 ARG 313 654 654 ARG ARG A . n A 1 314 PRO 314 655 655 PRO PRO A . n A 1 315 THR 315 656 656 THR THR A . n A 1 316 TYR 316 657 657 TYR TYR A . n A 1 317 GLU 317 658 658 GLU GLU A . n A 1 318 GLU 318 659 659 GLU GLU A . n A 1 319 TYR 319 660 660 TYR TYR A . n A 1 320 LEU 320 661 661 LEU LEU A . n A 1 321 GLY 321 662 662 GLY GLY A . n A 1 322 THR 322 663 663 THR THR A . n A 1 323 GLU 323 664 664 GLU GLU A . n A 1 324 TYR 324 665 665 TYR TYR A . n A 1 325 VAL 325 666 666 VAL VAL A . n A 1 326 THR 326 667 667 THR THR A . n A 1 327 ALA 327 668 668 ALA ALA A . n A 1 328 ILE 328 669 669 ILE ILE A . n A 1 329 ALA 329 670 670 ALA ALA A . n A 1 330 ASN 330 671 671 ASN ASN A . n A 1 331 LEU 331 672 672 LEU LEU A . n A 1 332 LYS 332 673 673 LYS LYS A . n A 1 333 LYS 333 674 674 LYS LYS A . n A 1 334 CYS 334 675 675 CYS CYS A . n A 1 335 SER 335 676 676 SER SER A . n A 1 336 THR 336 677 ? ? ? A . n A 1 337 SER 337 678 ? ? ? A . n A 1 338 PRO 338 679 ? ? ? A . n A 1 339 LEU 339 680 ? ? ? A . n A 1 340 LEU 340 681 681 LEU LEU A . n A 1 341 GLU 341 682 682 GLU GLU A . n A 1 342 ALA 342 683 683 ALA ALA A . n A 1 343 CYS 343 684 684 CYS CYS A . n A 1 344 ALA 344 685 685 ALA ALA A . n A 1 345 PHE 345 686 686 PHE PHE A . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 NAG 1 1 1 NAG NAG A . C 2 NAG 2 2 2 NAG NAG A . D 2 NAG 1 3 3 NAG NAG A . E 3 NDG 2 4 4 NDG NAG A . F 4 MAN 3 5 5 MAN MAN A . G 5 BMA 4 6 6 BMA MAN A . H 5 BMA 5 7 7 BMA MAN A . I 2 NAG 1 8 8 NAG NAG A . J 2 NAG 2 9 9 NAG NAG A . K 4 MAN 3 10 10 MAN MAN A . L 5 BMA 4 11 11 BMA MAN A . M 5 BMA 5 12 12 BMA MAN A . N 4 MAN 6 13 13 MAN MAN A . O 2 NAG 1 687 5 NAG NAG A . P 2 NAG 2 688 4 NAG NAG A . Q 2 NAG 3 689 3 NAG NAG A . R 2 NAG 4 690 2 NAG NAG A . S 3 NDG 5 691 1 NDG NAG A . T 6 SO4 1 301 1 SO4 SO4 A . U 7 ZN 1 302 1 ZN ZN A . V 7 ZN 1 303 2 ZN ZN A . W 7 ZN 1 304 3 ZN ZN A . X 8 FE 1 692 687 FE FE A . Y 9 CO3 1 693 688 CO3 CO3 A . Z 10 HOH 1 694 1 HOH HOH A . Z 10 HOH 2 695 2 HOH HOH A . Z 10 HOH 3 696 3 HOH HOH A . Z 10 HOH 4 697 4 HOH HOH A . Z 10 HOH 5 698 5 HOH HOH A . Z 10 HOH 6 699 6 HOH HOH A . Z 10 HOH 7 700 7 HOH HOH A . Z 10 HOH 8 701 8 HOH HOH A . Z 10 HOH 9 702 9 HOH HOH A . Z 10 HOH 10 703 10 HOH HOH A . Z 10 HOH 11 704 11 HOH HOH A . Z 10 HOH 12 705 12 HOH HOH A . Z 10 HOH 13 706 13 HOH HOH A . Z 10 HOH 14 707 14 HOH HOH A . Z 10 HOH 15 708 15 HOH HOH A . Z 10 HOH 16 709 16 HOH HOH A . Z 10 HOH 17 710 17 HOH HOH A . Z 10 HOH 18 711 18 HOH HOH A . Z 10 HOH 19 712 19 HOH HOH A . Z 10 HOH 20 713 20 HOH HOH A . Z 10 HOH 21 714 21 HOH HOH A . Z 10 HOH 22 715 22 HOH HOH A . Z 10 HOH 23 716 23 HOH HOH A . Z 10 HOH 24 717 24 HOH HOH A . Z 10 HOH 25 718 25 HOH HOH A . Z 10 HOH 26 719 26 HOH HOH A . Z 10 HOH 27 720 27 HOH HOH A . Z 10 HOH 28 721 28 HOH HOH A . Z 10 HOH 29 722 29 HOH HOH A . Z 10 HOH 30 723 30 HOH HOH A . Z 10 HOH 31 724 31 HOH HOH A . Z 10 HOH 32 725 32 HOH HOH A . Z 10 HOH 33 726 33 HOH HOH A . Z 10 HOH 34 727 34 HOH HOH A . Z 10 HOH 35 728 35 HOH HOH A . Z 10 HOH 36 729 36 HOH HOH A . Z 10 HOH 37 730 37 HOH HOH A . Z 10 HOH 38 731 38 HOH HOH A . Z 10 HOH 39 732 39 HOH HOH A . Z 10 HOH 40 733 40 HOH HOH A . Z 10 HOH 41 734 41 HOH HOH A . Z 10 HOH 42 735 42 HOH HOH A . Z 10 HOH 43 736 43 HOH HOH A . Z 10 HOH 44 737 44 HOH HOH A . Z 10 HOH 45 738 45 HOH HOH A . Z 10 HOH 46 739 46 HOH HOH A . Z 10 HOH 47 740 47 HOH HOH A . Z 10 HOH 48 741 48 HOH HOH A . Z 10 HOH 49 742 49 HOH HOH A . Z 10 HOH 50 743 50 HOH HOH A . Z 10 HOH 51 744 51 HOH HOH A . Z 10 HOH 52 745 52 HOH HOH A . Z 10 HOH 53 746 53 HOH HOH A . Z 10 HOH 54 747 54 HOH HOH A . Z 10 HOH 55 748 55 HOH HOH A . Z 10 HOH 56 749 56 HOH HOH A . Z 10 HOH 57 750 57 HOH HOH A . Z 10 HOH 58 751 58 HOH HOH A . Z 10 HOH 59 752 59 HOH HOH A . Z 10 HOH 60 753 60 HOH HOH A . Z 10 HOH 61 754 61 HOH HOH A . Z 10 HOH 62 755 62 HOH HOH A . Z 10 HOH 63 756 63 HOH HOH A . Z 10 HOH 64 757 64 HOH HOH A . Z 10 HOH 65 758 65 HOH HOH A . Z 10 HOH 66 759 66 HOH HOH A . Z 10 HOH 67 760 67 HOH HOH A . Z 10 HOH 68 761 68 HOH HOH A . Z 10 HOH 69 762 69 HOH HOH A . Z 10 HOH 70 763 70 HOH HOH A . Z 10 HOH 71 764 71 HOH HOH A . Z 10 HOH 72 765 72 HOH HOH A . Z 10 HOH 73 766 73 HOH HOH A . Z 10 HOH 74 767 74 HOH HOH A . Z 10 HOH 75 768 75 HOH HOH A . Z 10 HOH 76 769 76 HOH HOH A . Z 10 HOH 77 770 77 HOH HOH A . Z 10 HOH 78 771 78 HOH HOH A . Z 10 HOH 79 772 79 HOH HOH A . Z 10 HOH 80 773 80 HOH HOH A . Z 10 HOH 81 774 81 HOH HOH A . Z 10 HOH 82 775 82 HOH HOH A . Z 10 HOH 83 776 83 HOH HOH A . Z 10 HOH 84 777 84 HOH HOH A . Z 10 HOH 85 778 85 HOH HOH A . Z 10 HOH 86 779 86 HOH HOH A . Z 10 HOH 87 780 87 HOH HOH A . Z 10 HOH 88 781 88 HOH HOH A . Z 10 HOH 89 782 89 HOH HOH A . Z 10 HOH 90 783 90 HOH HOH A . Z 10 HOH 91 784 91 HOH HOH A . Z 10 HOH 92 785 92 HOH HOH A . Z 10 HOH 93 786 93 HOH HOH A . Z 10 HOH 94 787 94 HOH HOH A . Z 10 HOH 95 788 95 HOH HOH A . Z 10 HOH 96 789 96 HOH HOH A . Z 10 HOH 97 790 97 HOH HOH A . Z 10 HOH 98 791 98 HOH HOH A . Z 10 HOH 99 792 99 HOH HOH A . Z 10 HOH 100 793 100 HOH HOH A . Z 10 HOH 101 794 101 HOH HOH A . Z 10 HOH 102 795 102 HOH HOH A . Z 10 HOH 103 796 103 HOH HOH A . Z 10 HOH 104 797 104 HOH HOH A . Z 10 HOH 105 798 105 HOH HOH A . Z 10 HOH 106 799 106 HOH HOH A . Z 10 HOH 107 800 107 HOH HOH A . Z 10 HOH 108 801 108 HOH HOH A . Z 10 HOH 109 802 109 HOH HOH A . Z 10 HOH 110 803 110 HOH HOH A . Z 10 HOH 111 804 111 HOH HOH A . Z 10 HOH 112 805 112 HOH HOH A . Z 10 HOH 113 806 113 HOH HOH A . Z 10 HOH 114 807 114 HOH HOH A . Z 10 HOH 115 808 115 HOH HOH A . Z 10 HOH 116 809 116 HOH HOH A . Z 10 HOH 117 810 117 HOH HOH A . Z 10 HOH 118 811 118 HOH HOH A . Z 10 HOH 119 812 119 HOH HOH A . Z 10 HOH 120 813 120 HOH HOH A . Z 10 HOH 121 814 121 HOH HOH A . Z 10 HOH 122 815 122 HOH HOH A . Z 10 HOH 123 816 123 HOH HOH A . Z 10 HOH 124 817 124 HOH HOH A . Z 10 HOH 125 818 125 HOH HOH A . Z 10 HOH 126 819 126 HOH HOH A . Z 10 HOH 127 820 127 HOH HOH A . Z 10 HOH 128 821 128 HOH HOH A . Z 10 HOH 129 822 129 HOH HOH A . Z 10 HOH 130 823 130 HOH HOH A . Z 10 HOH 131 824 131 HOH HOH A . Z 10 HOH 132 825 132 HOH HOH A . Z 10 HOH 133 826 133 HOH HOH A . Z 10 HOH 134 827 134 HOH HOH A . Z 10 HOH 135 828 135 HOH HOH A . Z 10 HOH 136 829 136 HOH HOH A . Z 10 HOH 137 830 137 HOH HOH A . Z 10 HOH 138 831 138 HOH HOH A . Z 10 HOH 139 832 139 HOH HOH A . Z 10 HOH 140 833 140 HOH HOH A . Z 10 HOH 141 834 141 HOH HOH A . Z 10 HOH 142 835 142 HOH HOH A . Z 10 HOH 143 836 143 HOH HOH A . Z 10 HOH 144 837 144 HOH HOH A . Z 10 HOH 145 838 145 HOH HOH A . Z 10 HOH 146 839 146 HOH HOH A . Z 10 HOH 147 840 147 HOH HOH A . Z 10 HOH 148 841 148 HOH HOH A . Z 10 HOH 149 842 149 HOH HOH A . Z 10 HOH 150 843 150 HOH HOH A . Z 10 HOH 151 844 151 HOH HOH A . Z 10 HOH 152 845 152 HOH HOH A . Z 10 HOH 153 846 153 HOH HOH A . Z 10 HOH 154 847 154 HOH HOH A . Z 10 HOH 155 848 155 HOH HOH A . Z 10 HOH 156 849 156 HOH HOH A . Z 10 HOH 157 850 157 HOH HOH A . Z 10 HOH 158 851 158 HOH HOH A . Z 10 HOH 159 852 159 HOH HOH A . Z 10 HOH 160 853 160 HOH HOH A . Z 10 HOH 161 854 161 HOH HOH A . Z 10 HOH 162 855 162 HOH HOH A . Z 10 HOH 163 856 163 HOH HOH A . Z 10 HOH 164 857 164 HOH HOH A . Z 10 HOH 165 858 165 HOH HOH A . Z 10 HOH 166 859 166 HOH HOH A . Z 10 HOH 167 860 167 HOH HOH A . Z 10 HOH 168 861 168 HOH HOH A . Z 10 HOH 169 862 169 HOH HOH A . Z 10 HOH 170 863 170 HOH HOH A . Z 10 HOH 171 864 171 HOH HOH A . Z 10 HOH 172 865 172 HOH HOH A . Z 10 HOH 173 866 173 HOH HOH A . Z 10 HOH 174 867 174 HOH HOH A . Z 10 HOH 175 868 175 HOH HOH A . Z 10 HOH 176 869 176 HOH HOH A . Z 10 HOH 177 870 177 HOH HOH A . Z 10 HOH 178 871 178 HOH HOH A . Z 10 HOH 179 872 179 HOH HOH A . Z 10 HOH 180 873 180 HOH HOH A . Z 10 HOH 181 874 181 HOH HOH A . Z 10 HOH 182 875 182 HOH HOH A . Z 10 HOH 183 876 183 HOH HOH A . Z 10 HOH 184 877 184 HOH HOH A . Z 10 HOH 185 878 185 HOH HOH A . Z 10 HOH 186 879 186 HOH HOH A . Z 10 HOH 187 880 187 HOH HOH A . Z 10 HOH 188 881 188 HOH HOH A . Z 10 HOH 189 882 189 HOH HOH A . Z 10 HOH 190 883 190 HOH HOH A . Z 10 HOH 191 884 191 HOH HOH A . Z 10 HOH 192 885 192 HOH HOH A . Z 10 HOH 193 886 193 HOH HOH A . Z 10 HOH 194 887 194 HOH HOH A . Z 10 HOH 195 888 195 HOH HOH A . Z 10 HOH 196 889 196 HOH HOH A . Z 10 HOH 197 890 197 HOH HOH A . Z 10 HOH 198 891 198 HOH HOH A . Z 10 HOH 199 892 199 HOH HOH A . Z 10 HOH 200 893 200 HOH HOH A . Z 10 HOH 201 894 201 HOH HOH A . Z 10 HOH 202 895 202 HOH HOH A . Z 10 HOH 203 896 203 HOH HOH A . Z 10 HOH 204 897 204 HOH HOH A . Z 10 HOH 205 898 205 HOH HOH A . Z 10 HOH 206 899 206 HOH HOH A . Z 10 HOH 207 900 207 HOH HOH A . Z 10 HOH 208 901 208 HOH HOH A . Z 10 HOH 209 902 209 HOH HOH A . Z 10 HOH 210 903 210 HOH HOH A . Z 10 HOH 211 904 211 HOH HOH A . Z 10 HOH 212 905 212 HOH HOH A . Z 10 HOH 213 906 213 HOH HOH A . Z 10 HOH 214 907 214 HOH HOH A . Z 10 HOH 215 908 215 HOH HOH A . Z 10 HOH 216 909 216 HOH HOH A . Z 10 HOH 217 910 217 HOH HOH A . Z 10 HOH 218 911 218 HOH HOH A . Z 10 HOH 219 912 219 HOH HOH A . Z 10 HOH 220 913 220 HOH HOH A . Z 10 HOH 221 914 221 HOH HOH A . Z 10 HOH 222 915 222 HOH HOH A . Z 10 HOH 223 916 223 HOH HOH A . Z 10 HOH 224 917 224 HOH HOH A . Z 10 HOH 225 918 225 HOH HOH A . Z 10 HOH 226 919 226 HOH HOH A . Z 10 HOH 227 920 227 HOH HOH A . Z 10 HOH 228 921 228 HOH HOH A . Z 10 HOH 229 922 229 HOH HOH A . Z 10 HOH 230 923 230 HOH HOH A . Z 10 HOH 231 924 231 HOH HOH A . Z 10 HOH 232 925 232 HOH HOH A . Z 10 HOH 233 926 233 HOH HOH A . Z 10 HOH 234 927 234 HOH HOH A . Z 10 HOH 235 928 235 HOH HOH A . Z 10 HOH 236 929 236 HOH HOH A . Z 10 HOH 237 930 237 HOH HOH A . Z 10 HOH 238 931 238 HOH HOH A . Z 10 HOH 239 932 239 HOH HOH A . Z 10 HOH 240 933 240 HOH HOH A . Z 10 HOH 241 934 241 HOH HOH A . Z 10 HOH 242 935 242 HOH HOH A . Z 10 HOH 243 936 243 HOH HOH A . Z 10 HOH 244 937 244 HOH HOH A . Z 10 HOH 245 938 245 HOH HOH A . Z 10 HOH 246 939 246 HOH HOH A . Z 10 HOH 247 940 247 HOH HOH A . Z 10 HOH 248 941 248 HOH HOH A . Z 10 HOH 249 942 249 HOH HOH A . Z 10 HOH 250 943 250 HOH HOH A . Z 10 HOH 251 944 251 HOH HOH A . Z 10 HOH 252 945 252 HOH HOH A . Z 10 HOH 253 946 253 HOH HOH A . Z 10 HOH 254 947 254 HOH HOH A . Z 10 HOH 255 948 255 HOH HOH A . Z 10 HOH 256 949 256 HOH HOH A . Z 10 HOH 257 950 257 HOH HOH A . Z 10 HOH 258 951 258 HOH HOH A . Z 10 HOH 259 952 259 HOH HOH A . Z 10 HOH 260 953 260 HOH HOH A . Z 10 HOH 261 954 261 HOH HOH A . Z 10 HOH 262 955 262 HOH HOH A . Z 10 HOH 263 956 263 HOH HOH A . Z 10 HOH 264 957 265 HOH HOH A . Z 10 HOH 265 958 266 HOH HOH A . Z 10 HOH 266 959 267 HOH HOH A . Z 10 HOH 267 960 268 HOH HOH A . Z 10 HOH 268 961 269 HOH HOH A . Z 10 HOH 269 962 270 HOH HOH A . Z 10 HOH 270 963 271 HOH HOH A . Z 10 HOH 271 964 272 HOH HOH A . Z 10 HOH 272 965 273 HOH HOH A . Z 10 HOH 273 966 274 HOH HOH A . Z 10 HOH 274 967 275 HOH HOH A . Z 10 HOH 275 968 276 HOH HOH A . # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 A ASN 27 A ASN 368 ? ASN 'GLYCOSYLATION SITE' 2 A ASN 135 A ASN 476 ? ASN 'GLYCOSYLATION SITE' 3 A ASN 204 A ASN 545 ? ASN 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_defined_assembly _pdbx_struct_assembly.method_details ? _pdbx_struct_assembly.oligomeric_details monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U,V,W,X,Y,Z # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_struct_conn_angle.id _pdbx_struct_conn_angle.ptnr1_label_atom_id _pdbx_struct_conn_angle.ptnr1_label_alt_id _pdbx_struct_conn_angle.ptnr1_label_asym_id _pdbx_struct_conn_angle.ptnr1_label_comp_id _pdbx_struct_conn_angle.ptnr1_label_seq_id _pdbx_struct_conn_angle.ptnr1_auth_atom_id _pdbx_struct_conn_angle.ptnr1_auth_asym_id _pdbx_struct_conn_angle.ptnr1_auth_comp_id _pdbx_struct_conn_angle.ptnr1_auth_seq_id _pdbx_struct_conn_angle.ptnr1_PDB_ins_code _pdbx_struct_conn_angle.ptnr1_symmetry _pdbx_struct_conn_angle.ptnr2_label_atom_id _pdbx_struct_conn_angle.ptnr2_label_alt_id _pdbx_struct_conn_angle.ptnr2_label_asym_id _pdbx_struct_conn_angle.ptnr2_label_comp_id _pdbx_struct_conn_angle.ptnr2_label_seq_id _pdbx_struct_conn_angle.ptnr2_auth_atom_id _pdbx_struct_conn_angle.ptnr2_auth_asym_id _pdbx_struct_conn_angle.ptnr2_auth_comp_id _pdbx_struct_conn_angle.ptnr2_auth_seq_id _pdbx_struct_conn_angle.ptnr2_PDB_ins_code _pdbx_struct_conn_angle.ptnr2_symmetry _pdbx_struct_conn_angle.ptnr3_label_atom_id _pdbx_struct_conn_angle.ptnr3_label_alt_id _pdbx_struct_conn_angle.ptnr3_label_asym_id _pdbx_struct_conn_angle.ptnr3_label_comp_id _pdbx_struct_conn_angle.ptnr3_label_seq_id _pdbx_struct_conn_angle.ptnr3_auth_atom_id _pdbx_struct_conn_angle.ptnr3_auth_asym_id _pdbx_struct_conn_angle.ptnr3_auth_comp_id _pdbx_struct_conn_angle.ptnr3_auth_seq_id _pdbx_struct_conn_angle.ptnr3_PDB_ins_code _pdbx_struct_conn_angle.ptnr3_symmetry _pdbx_struct_conn_angle.value _pdbx_struct_conn_angle.value_esd 1 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? X FE . ? A FE 692 ? 1_555 OH ? A TYR 92 ? A TYR 433 ? 1_555 100.0 ? 2 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? X FE . ? A FE 692 ? 1_555 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 171.2 ? 3 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? X FE . ? A FE 692 ? 1_555 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 88.4 ? 4 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? X FE . ? A FE 692 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 90.3 ? 5 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? X FE . ? A FE 692 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 98.5 ? 6 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? X FE . ? A FE 692 ? 1_555 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 86.0 ? 7 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? X FE . ? A FE 692 ? 1_555 O1 ? Y CO3 . ? A CO3 693 ? 1_555 84.0 ? 8 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? X FE . ? A FE 692 ? 1_555 O1 ? Y CO3 . ? A CO3 693 ? 1_555 154.0 ? 9 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? X FE . ? A FE 692 ? 1_555 O1 ? Y CO3 . ? A CO3 693 ? 1_555 89.5 ? 10 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 FE ? X FE . ? A FE 692 ? 1_555 O1 ? Y CO3 . ? A CO3 693 ? 1_555 107.2 ? 11 OH ? A TYR 185 ? A TYR 526 ? 1_555 FE ? X FE . ? A FE 692 ? 1_555 O2 ? Y CO3 . ? A CO3 693 ? 1_555 97.5 ? 12 OH ? A TYR 92 ? A TYR 433 ? 1_555 FE ? X FE . ? A FE 692 ? 1_555 O2 ? Y CO3 . ? A CO3 693 ? 1_555 90.5 ? 13 OD1 ? A ASP 54 ? A ASP 395 ? 1_555 FE ? X FE . ? A FE 692 ? 1_555 O2 ? Y CO3 . ? A CO3 693 ? 1_555 84.7 ? 14 NE2 ? A HIS 254 ? A HIS 595 ? 1_555 FE ? X FE . ? A FE 692 ? 1_555 O2 ? Y CO3 . ? A CO3 693 ? 1_555 166.9 ? 15 O1 ? Y CO3 . ? A CO3 693 ? 1_555 FE ? X FE . ? A FE 692 ? 1_555 O2 ? Y CO3 . ? A CO3 693 ? 1_555 63.5 ? 16 OE2 ? A GLU 318 ? A GLU 659 ? 1_555 ZN ? U ZN . ? A ZN 302 ? 1_555 OE1 ? A GLU 318 ? A GLU 659 ? 1_555 58.8 ? 17 OE2 ? A GLU 318 ? A GLU 659 ? 1_555 ZN ? U ZN . ? A ZN 302 ? 1_555 O ? Z HOH . ? A HOH 775 ? 1_555 90.8 ? 18 OE1 ? A GLU 318 ? A GLU 659 ? 1_555 ZN ? U ZN . ? A ZN 302 ? 1_555 O ? Z HOH . ? A HOH 775 ? 1_555 101.1 ? 19 O ? Z HOH . ? A HOH 929 ? 1_555 ZN ? V ZN . ? A ZN 303 ? 1_555 NE2 ? A HIS 247 ? A HIS 588 ? 1_555 107.3 ? 20 O ? Z HOH . ? A HOH 929 ? 1_555 ZN ? V ZN . ? A ZN 303 ? 1_555 O ? Z HOH . ? A HOH 840 ? 1_555 69.6 ? 21 NE2 ? A HIS 247 ? A HIS 588 ? 1_555 ZN ? V ZN . ? A ZN 303 ? 1_555 O ? Z HOH . ? A HOH 840 ? 1_555 105.8 ? 22 O ? Z HOH . ? A HOH 929 ? 1_555 ZN ? V ZN . ? A ZN 303 ? 1_555 O ? Z HOH . ? A HOH 839 ? 1_555 67.4 ? 23 NE2 ? A HIS 247 ? A HIS 588 ? 1_555 ZN ? V ZN . ? A ZN 303 ? 1_555 O ? Z HOH . ? A HOH 839 ? 1_555 117.0 ? 24 O ? Z HOH . ? A HOH 840 ? 1_555 ZN ? V ZN . ? A ZN 303 ? 1_555 O ? Z HOH . ? A HOH 839 ? 1_555 126.0 ? 25 O ? A TYR 1 ? A TYR 342 ? 1_555 ZN ? W ZN . ? A ZN 304 ? 1_555 O ? Z HOH . ? A HOH 925 ? 1_555 133.2 ? 26 O ? A TYR 1 ? A TYR 342 ? 1_555 ZN ? W ZN . ? A ZN 304 ? 1_555 O ? Z HOH . ? A HOH 924 ? 1_555 76.8 ? 27 O ? Z HOH . ? A HOH 925 ? 1_555 ZN ? W ZN . ? A ZN 304 ? 1_555 O ? Z HOH . ? A HOH 924 ? 1_555 70.0 ? 28 O ? A TYR 1 ? A TYR 342 ? 1_555 ZN ? W ZN . ? A ZN 304 ? 1_555 NE2 ? A HIS 265 ? A HIS 606 ? 1_555 150.3 ? 29 O ? Z HOH . ? A HOH 925 ? 1_555 ZN ? W ZN . ? A ZN 304 ? 1_555 NE2 ? A HIS 265 ? A HIS 606 ? 1_555 76.4 ? 30 O ? Z HOH . ? A HOH 924 ? 1_555 ZN ? W ZN . ? A ZN 304 ? 1_555 NE2 ? A HIS 265 ? A HIS 606 ? 1_555 120.1 ? # 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 2005-12-13 2 'Structure model' 1 1 2008-01-08 3 'Structure model' 1 2 2011-07-13 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Version format compliance' 2 3 'Structure model' 'Non-polymer description' 3 3 'Structure model' 'Version format compliance' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal REFMAC refinement 5.0 ? 1 DENZO 'data reduction' . ? 2 SCALEPACK 'data scaling' . ? 3 AMoRE phasing . ? 4 # _pdbx_validate_close_contact.id 1 _pdbx_validate_close_contact.PDB_model_num 1 _pdbx_validate_close_contact.auth_atom_id_1 ND2 _pdbx_validate_close_contact.auth_asym_id_1 A _pdbx_validate_close_contact.auth_comp_id_1 ASN _pdbx_validate_close_contact.auth_seq_id_1 368 _pdbx_validate_close_contact.PDB_ins_code_1 ? _pdbx_validate_close_contact.label_alt_id_1 ? _pdbx_validate_close_contact.auth_atom_id_2 C2 _pdbx_validate_close_contact.auth_asym_id_2 A _pdbx_validate_close_contact.auth_comp_id_2 NAG _pdbx_validate_close_contact.auth_seq_id_2 1 _pdbx_validate_close_contact.PDB_ins_code_2 ? _pdbx_validate_close_contact.label_alt_id_2 ? _pdbx_validate_close_contact.dist 2.03 # loop_ _pdbx_validate_rmsd_angle.id _pdbx_validate_rmsd_angle.PDB_model_num _pdbx_validate_rmsd_angle.auth_atom_id_1 _pdbx_validate_rmsd_angle.auth_asym_id_1 _pdbx_validate_rmsd_angle.auth_comp_id_1 _pdbx_validate_rmsd_angle.auth_seq_id_1 _pdbx_validate_rmsd_angle.PDB_ins_code_1 _pdbx_validate_rmsd_angle.label_alt_id_1 _pdbx_validate_rmsd_angle.auth_atom_id_2 _pdbx_validate_rmsd_angle.auth_asym_id_2 _pdbx_validate_rmsd_angle.auth_comp_id_2 _pdbx_validate_rmsd_angle.auth_seq_id_2 _pdbx_validate_rmsd_angle.PDB_ins_code_2 _pdbx_validate_rmsd_angle.label_alt_id_2 _pdbx_validate_rmsd_angle.auth_atom_id_3 _pdbx_validate_rmsd_angle.auth_asym_id_3 _pdbx_validate_rmsd_angle.auth_comp_id_3 _pdbx_validate_rmsd_angle.auth_seq_id_3 _pdbx_validate_rmsd_angle.PDB_ins_code_3 _pdbx_validate_rmsd_angle.label_alt_id_3 _pdbx_validate_rmsd_angle.angle_value _pdbx_validate_rmsd_angle.angle_target_value _pdbx_validate_rmsd_angle.angle_deviation _pdbx_validate_rmsd_angle.angle_standard_deviation _pdbx_validate_rmsd_angle.linker_flag 1 1 CB A ASP 453 ? ? CG A ASP 453 ? ? OD2 A ASP 453 ? ? 123.92 118.30 5.62 0.90 N 2 1 CB A ASP 509 ? ? CA A ASP 509 ? ? C A ASP 509 ? ? 98.13 110.40 -12.27 2.00 N 3 1 CB A ASP 536 ? ? CG A ASP 536 ? ? OD2 A ASP 536 ? ? 125.36 118.30 7.06 0.90 N 4 1 N A CYS 625 ? ? CA A CYS 625 ? ? C A CYS 625 ? ? 142.47 111.00 31.47 2.70 N 5 1 C A CYS 684 ? ? N A ALA 685 ? ? CA A ALA 685 ? ? 143.69 121.70 21.99 2.50 Y 6 1 N A ALA 685 ? ? CA A ALA 685 ? ? CB A ALA 685 ? ? 125.85 110.10 15.75 1.40 N # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 HIS A 420 ? ? 70.44 37.31 2 1 ALA A 460 ? ? 169.20 150.04 3 1 ASP A 462 ? ? 75.47 -3.88 4 1 TRP A 467 ? ? -144.90 -62.70 5 1 ALA A 482 ? ? -86.06 30.11 6 1 PHE A 483 ? ? -42.55 -8.61 7 1 ASP A 509 ? ? -10.70 -56.44 8 1 GLN A 585 ? ? -58.92 -7.23 9 1 SER A 634 ? ? -156.30 37.78 10 1 LEU A 640 ? ? 68.44 -47.59 11 1 ALA A 683 ? ? 177.81 -68.64 12 1 CYS A 684 ? ? 97.56 107.68 13 1 ALA A 685 ? ? -59.80 2.98 # _pdbx_validate_peptide_omega.id 1 _pdbx_validate_peptide_omega.PDB_model_num 1 _pdbx_validate_peptide_omega.auth_comp_id_1 CYS _pdbx_validate_peptide_omega.auth_asym_id_1 A _pdbx_validate_peptide_omega.auth_seq_id_1 625 _pdbx_validate_peptide_omega.PDB_ins_code_1 ? _pdbx_validate_peptide_omega.label_alt_id_1 ? _pdbx_validate_peptide_omega.auth_comp_id_2 PRO _pdbx_validate_peptide_omega.auth_asym_id_2 A _pdbx_validate_peptide_omega.auth_seq_id_2 626 _pdbx_validate_peptide_omega.PDB_ins_code_2 ? _pdbx_validate_peptide_omega.label_alt_id_2 ? _pdbx_validate_peptide_omega.omega 112.76 # _pdbx_validate_chiral.id 1 _pdbx_validate_chiral.PDB_model_num 1 _pdbx_validate_chiral.auth_atom_id CA _pdbx_validate_chiral.label_alt_id ? _pdbx_validate_chiral.auth_asym_id A _pdbx_validate_chiral.auth_comp_id CYS _pdbx_validate_chiral.auth_seq_id 625 _pdbx_validate_chiral.PDB_ins_code ? _pdbx_validate_chiral.details PLANAR _pdbx_validate_chiral.omega . # _pdbx_unobs_or_zero_occ_atoms.id 1 _pdbx_unobs_or_zero_occ_atoms.PDB_model_num 1 _pdbx_unobs_or_zero_occ_atoms.polymer_flag N _pdbx_unobs_or_zero_occ_atoms.occupancy_flag 1 _pdbx_unobs_or_zero_occ_atoms.auth_asym_id A _pdbx_unobs_or_zero_occ_atoms.auth_comp_id NAG _pdbx_unobs_or_zero_occ_atoms.auth_seq_id 687 _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code ? _pdbx_unobs_or_zero_occ_atoms.auth_atom_id O1 _pdbx_unobs_or_zero_occ_atoms.label_alt_id ? _pdbx_unobs_or_zero_occ_atoms.label_asym_id E _pdbx_unobs_or_zero_occ_atoms.label_comp_id NAG _pdbx_unobs_or_zero_occ_atoms.label_seq_id 1 _pdbx_unobs_or_zero_occ_atoms.label_atom_id O1 # 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 '2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE' NDG 4 ALPHA-D-MANNOSE MAN 5 BETA-D-MANNOSE BMA 6 'SULFATE ION' SO4 7 'ZINC ION' ZN 8 'FE (III) ION' FE 9 'CARBONATE ION' CO3 10 water HOH #