data_1ELV # _entry.id 1ELV # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.290 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 1ELV RCSB RCSB010711 WWPDB D_1000010711 # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 1ELV _pdbx_database_status.recvd_initial_deposition_date 2000-03-14 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.SG_entry . _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_mr ? _pdbx_database_status.status_code_sf ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Gaboriaud, C.' 1 'Rossi, V.' 2 'Bally, I.' 3 'Arlaud, G.' 4 'Fontecilla-Camps, J.-C.' 5 # _citation.id primary _citation.title 'Crystal structure of the catalytic domain of human complement c1s: a serine protease with a handle.' _citation.journal_abbrev 'EMBO J.' _citation.journal_volume 19 _citation.page_first 1755 _citation.page_last 1765 _citation.year 2000 _citation.journal_id_ASTM EMJODG _citation.country UK _citation.journal_id_ISSN 0261-4189 _citation.journal_id_CSD 0897 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 10775260 _citation.pdbx_database_id_DOI 10.1093/emboj/19.8.1755 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Gaboriaud, C.' 1 primary 'Rossi, V.' 2 primary 'Bally, I.' 3 primary 'Arlaud, G.J.' 4 primary 'Fontecilla-Camps, J.C.' 5 # _cell.entry_id 1ELV _cell.length_a 39.080 _cell.length_b 79.650 _cell.length_c 60.210 _cell.angle_alpha 90.00 _cell.angle_beta 91.24 _cell.angle_gamma 90.00 _cell.Z_PDB 2 _cell.pdbx_unique_axis ? # _symmetry.entry_id 1ELV _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 # 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 man 'COMPLEMENT C1S COMPONENT' 36687.473 1 3.4.21.42 YES 'CCP2-SP CATALYTIC FRAGMENT: ASP363-ASP-673 SEGMENT PRECEDED BY AN ASP-LEU SEQUENCE ADDED AT THE N-TERMINAL END' ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 2 ? ? ? ? 3 non-polymer man ALPHA-L-FUCOSE 164.156 1 ? ? ? ? 4 non-polymer syn 'SULFATE ION' 96.063 2 ? ? ? ? 5 non-polymer syn '2-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-ETHANESULFONIC ACID' 229.251 1 ? ? ? ? 6 water nat water 18.015 317 ? ? ? ? # _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 ;DLDCGIPESIENGKVEDPESTLFGSVIRYTCEEPYYYMENGGGGEYHCAGNGSWVNEVLGPELPKCVPVCGVPREPFEEK QRIIGGSDADIKNFPWQVFFDNPWAGGALINEYWVLTAAHVVEGNREPTMYVGSTSVQTSRLAKSKMLTPEHVFIHPGWK LLAVPEGRTNFDNDIALVRLKDPVKMGPTVSPICLPGTSSDYNLMDGDLGLISGWGRTEKRDRAVRLKAARLPVAPLRKC KEVKVEKPTADAEAYVFTPNMICAGGEKGMDSCKGDSGGAFAVQDPNDKTKFYAAGLVSWGPQCGTYGLYTRVKNYVDWI MKTMQENSTPRED ; _entity_poly.pdbx_seq_one_letter_code_can ;DLDCGIPESIENGKVEDPESTLFGSVIRYTCEEPYYYMENGGGGEYHCAGNGSWVNEVLGPELPKCVPVCGVPREPFEEK QRIIGGSDADIKNFPWQVFFDNPWAGGALINEYWVLTAAHVVEGNREPTMYVGSTSVQTSRLAKSKMLTPEHVFIHPGWK LLAVPEGRTNFDNDIALVRLKDPVKMGPTVSPICLPGTSSDYNLMDGDLGLISGWGRTEKRDRAVRLKAARLPVAPLRKC KEVKVEKPTADAEAYVFTPNMICAGGEKGMDSCKGDSGGAFAVQDPNDKTKFYAAGLVSWGPQCGTYGLYTRVKNYVDWI MKTMQENSTPRED ; _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 ASP n 1 2 LEU n 1 3 ASP n 1 4 CYS n 1 5 GLY n 1 6 ILE n 1 7 PRO n 1 8 GLU n 1 9 SER n 1 10 ILE n 1 11 GLU n 1 12 ASN n 1 13 GLY n 1 14 LYS n 1 15 VAL n 1 16 GLU n 1 17 ASP n 1 18 PRO n 1 19 GLU n 1 20 SER n 1 21 THR n 1 22 LEU n 1 23 PHE n 1 24 GLY n 1 25 SER n 1 26 VAL n 1 27 ILE n 1 28 ARG n 1 29 TYR n 1 30 THR n 1 31 CYS n 1 32 GLU n 1 33 GLU n 1 34 PRO n 1 35 TYR n 1 36 TYR n 1 37 TYR n 1 38 MET n 1 39 GLU n 1 40 ASN n 1 41 GLY n 1 42 GLY n 1 43 GLY n 1 44 GLY n 1 45 GLU n 1 46 TYR n 1 47 HIS n 1 48 CYS n 1 49 ALA n 1 50 GLY n 1 51 ASN n 1 52 GLY n 1 53 SER n 1 54 TRP n 1 55 VAL n 1 56 ASN n 1 57 GLU n 1 58 VAL n 1 59 LEU n 1 60 GLY n 1 61 PRO n 1 62 GLU n 1 63 LEU n 1 64 PRO n 1 65 LYS n 1 66 CYS n 1 67 VAL n 1 68 PRO n 1 69 VAL n 1 70 CYS n 1 71 GLY n 1 72 VAL n 1 73 PRO n 1 74 ARG n 1 75 GLU n 1 76 PRO n 1 77 PHE n 1 78 GLU n 1 79 GLU n 1 80 LYS n 1 81 GLN n 1 82 ARG n 1 83 ILE n 1 84 ILE n 1 85 GLY n 1 86 GLY n 1 87 SER n 1 88 ASP n 1 89 ALA n 1 90 ASP n 1 91 ILE n 1 92 LYS n 1 93 ASN n 1 94 PHE n 1 95 PRO n 1 96 TRP n 1 97 GLN n 1 98 VAL n 1 99 PHE n 1 100 PHE n 1 101 ASP n 1 102 ASN n 1 103 PRO n 1 104 TRP n 1 105 ALA n 1 106 GLY n 1 107 GLY n 1 108 ALA n 1 109 LEU n 1 110 ILE n 1 111 ASN n 1 112 GLU n 1 113 TYR n 1 114 TRP n 1 115 VAL n 1 116 LEU n 1 117 THR n 1 118 ALA n 1 119 ALA n 1 120 HIS n 1 121 VAL n 1 122 VAL n 1 123 GLU n 1 124 GLY n 1 125 ASN n 1 126 ARG n 1 127 GLU n 1 128 PRO n 1 129 THR n 1 130 MET n 1 131 TYR n 1 132 VAL n 1 133 GLY n 1 134 SER n 1 135 THR n 1 136 SER n 1 137 VAL n 1 138 GLN n 1 139 THR n 1 140 SER n 1 141 ARG n 1 142 LEU n 1 143 ALA n 1 144 LYS n 1 145 SER n 1 146 LYS n 1 147 MET n 1 148 LEU n 1 149 THR n 1 150 PRO n 1 151 GLU n 1 152 HIS n 1 153 VAL n 1 154 PHE n 1 155 ILE n 1 156 HIS n 1 157 PRO n 1 158 GLY n 1 159 TRP n 1 160 LYS n 1 161 LEU n 1 162 LEU n 1 163 ALA n 1 164 VAL n 1 165 PRO n 1 166 GLU n 1 167 GLY n 1 168 ARG n 1 169 THR n 1 170 ASN n 1 171 PHE n 1 172 ASP n 1 173 ASN n 1 174 ASP n 1 175 ILE n 1 176 ALA n 1 177 LEU n 1 178 VAL n 1 179 ARG n 1 180 LEU n 1 181 LYS n 1 182 ASP n 1 183 PRO n 1 184 VAL n 1 185 LYS n 1 186 MET n 1 187 GLY n 1 188 PRO n 1 189 THR n 1 190 VAL n 1 191 SER n 1 192 PRO n 1 193 ILE n 1 194 CYS n 1 195 LEU n 1 196 PRO n 1 197 GLY n 1 198 THR n 1 199 SER n 1 200 SER n 1 201 ASP n 1 202 TYR n 1 203 ASN n 1 204 LEU n 1 205 MET n 1 206 ASP n 1 207 GLY n 1 208 ASP n 1 209 LEU n 1 210 GLY n 1 211 LEU n 1 212 ILE n 1 213 SER n 1 214 GLY n 1 215 TRP n 1 216 GLY n 1 217 ARG n 1 218 THR n 1 219 GLU n 1 220 LYS n 1 221 ARG n 1 222 ASP n 1 223 ARG n 1 224 ALA n 1 225 VAL n 1 226 ARG n 1 227 LEU n 1 228 LYS n 1 229 ALA n 1 230 ALA n 1 231 ARG n 1 232 LEU n 1 233 PRO n 1 234 VAL n 1 235 ALA n 1 236 PRO n 1 237 LEU n 1 238 ARG n 1 239 LYS n 1 240 CYS n 1 241 LYS n 1 242 GLU n 1 243 VAL n 1 244 LYS n 1 245 VAL n 1 246 GLU n 1 247 LYS n 1 248 PRO n 1 249 THR n 1 250 ALA n 1 251 ASP n 1 252 ALA n 1 253 GLU n 1 254 ALA n 1 255 TYR n 1 256 VAL n 1 257 PHE n 1 258 THR n 1 259 PRO n 1 260 ASN n 1 261 MET n 1 262 ILE n 1 263 CYS n 1 264 ALA n 1 265 GLY n 1 266 GLY n 1 267 GLU n 1 268 LYS n 1 269 GLY n 1 270 MET n 1 271 ASP n 1 272 SER n 1 273 CYS n 1 274 LYS n 1 275 GLY n 1 276 ASP n 1 277 SER n 1 278 GLY n 1 279 GLY n 1 280 ALA n 1 281 PHE n 1 282 ALA n 1 283 VAL n 1 284 GLN n 1 285 ASP n 1 286 PRO n 1 287 ASN n 1 288 ASP n 1 289 LYS n 1 290 THR n 1 291 LYS n 1 292 PHE n 1 293 TYR n 1 294 ALA n 1 295 ALA n 1 296 GLY n 1 297 LEU n 1 298 VAL n 1 299 SER n 1 300 TRP n 1 301 GLY n 1 302 PRO n 1 303 GLN n 1 304 CYS n 1 305 GLY n 1 306 THR n 1 307 TYR n 1 308 GLY n 1 309 LEU n 1 310 TYR n 1 311 THR n 1 312 ARG n 1 313 VAL n 1 314 LYS n 1 315 ASN n 1 316 TYR n 1 317 VAL n 1 318 ASP n 1 319 TRP n 1 320 ILE n 1 321 MET n 1 322 LYS n 1 323 THR n 1 324 MET n 1 325 GLN n 1 326 GLU n 1 327 ASN n 1 328 SER n 1 329 THR n 1 330 PRO n 1 331 ARG n 1 332 GLU n 1 333 ASP n # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _entity_src_gen.pdbx_seq_type ? _entity_src_gen.pdbx_beg_seq_num ? _entity_src_gen.pdbx_end_seq_num ? _entity_src_gen.gene_src_common_name human _entity_src_gen.gene_src_genus Homo _entity_src_gen.pdbx_gene_src_gene ? _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain ? _entity_src_gen.gene_src_tissue ? _entity_src_gen.gene_src_tissue_fraction ? _entity_src_gen.gene_src_details ? _entity_src_gen.pdbx_gene_src_fragment ? _entity_src_gen.pdbx_gene_src_scientific_name 'Homo sapiens' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9606 _entity_src_gen.pdbx_gene_src_variant ? _entity_src_gen.pdbx_gene_src_cell_line ? _entity_src_gen.pdbx_gene_src_atcc ? _entity_src_gen.pdbx_gene_src_organ ? _entity_src_gen.pdbx_gene_src_organelle ? _entity_src_gen.pdbx_gene_src_cell ? _entity_src_gen.pdbx_gene_src_cellular_location ? _entity_src_gen.host_org_common_name 'fall armyworm' _entity_src_gen.pdbx_host_org_scientific_name 'Spodoptera frugiperda' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 7108 _entity_src_gen.host_org_genus Spodoptera _entity_src_gen.pdbx_host_org_gene ? _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species ? _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain ? _entity_src_gen.pdbx_host_org_variant ? _entity_src_gen.pdbx_host_org_cell_line Sf21 _entity_src_gen.pdbx_host_org_atcc ? _entity_src_gen.pdbx_host_org_culture_collection ? _entity_src_gen.pdbx_host_org_cell ? _entity_src_gen.pdbx_host_org_organelle ? _entity_src_gen.pdbx_host_org_cellular_location ? _entity_src_gen.pdbx_host_org_vector_type VIRUS _entity_src_gen.pdbx_host_org_vector BACULOVIRUS _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name PNT-BAC/CCP2-AP-SP _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description 'BAC-TO-BAC EXPRESSION SYSTEM' # _struct_ref.id 1 _struct_ref.db_code C1S_HUMAN _struct_ref.db_name UNP _struct_ref.entity_id 1 _struct_ref.pdbx_db_accession P09871 _struct_ref.pdbx_align_begin 358 _struct_ref.pdbx_seq_one_letter_code ;DCGIPESIENGKVEDPESTLFGSVIRYTCEEPYYYMENGGGGEYHCAGNGSWVNEVLGPELPKCVPVCGVPREPFEEKQR IIGGSDADIKNFPWQVFFDNPWAGGALINEYWVLTAAHVVEGNREPTMYVGSTSVQTSRLAKSKMLTPEHVFIHPGWKLL EVPEGRTNFDNDIALVRLKDPVKMGPTVSPICLPGTSSDYNLMDGDLGLISGWGRTEKRDRAVRLKAARLPVAPLRKCKE VKVEKPTADAEAYVFTPNMICAGGEKGMDSCKGDSGGAFAVQDPNDKTKFYAAGLVSWGPQCGTYGLYTRVKNYVDWIMK TMQENSTPRED ; _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 1ELV _struct_ref_seq.pdbx_strand_id A _struct_ref_seq.seq_align_beg 3 _struct_ref_seq.pdbx_seq_align_beg_ins_code ? _struct_ref_seq.seq_align_end 333 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession P09871 _struct_ref_seq.db_align_beg 358 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 688 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 343 _struct_ref_seq.pdbx_auth_seq_align_end 673 # 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 1ELV ASP A 1 ? UNP P09871 ? ? ENGINEERED 341 1 1 1ELV LEU A 2 ? UNP P09871 ? ? ENGINEERED 342 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 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 FUC saccharide . ALPHA-L-FUCOSE ? 'C6 H12 O5' 164.156 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 NES non-polymer . '2-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-ETHANESULFONIC ACID' ? 'C6 H15 N O6 S' 229.251 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 # _exptl.entry_id 1ELV _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_percent_sol 51.80 _exptl_crystal.density_Matthews 2.55 _exptl_crystal.description ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.pH 7.4 _exptl_crystal_grow.temp 277 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pdbx_details 'PEG 4K 34%, AMMONIUM SULFATE 100mM, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 277K' _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type MARRESEARCH _diffrn_detector.pdbx_collection_date 1998-09-24 _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.monochromator ? _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.93 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'ESRF BEAMLINE ID14-4' _diffrn_source.pdbx_wavelength 0.93 _diffrn_source.pdbx_synchrotron_site ESRF _diffrn_source.pdbx_synchrotron_beamline ID14-4 _diffrn_source.pdbx_wavelength_list ? # _reflns.entry_id 1ELV _reflns.observed_criterion_sigma_I 0.0 _reflns.observed_criterion_sigma_F 0.0 _reflns.d_resolution_low 15 _reflns.d_resolution_high 1.7 _reflns.number_obs 115710 _reflns.number_all 39489 _reflns.percent_possible_obs 93 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value 0.037 _reflns.pdbx_netI_over_sigmaI 16.9 _reflns.B_iso_Wilson_estimate 21.7 _reflns.pdbx_redundancy 2.9 _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_ordinal 1 _reflns.pdbx_diffrn_id 1 # _reflns_shell.d_res_high 1.7 _reflns_shell.d_res_low 1.75 _reflns_shell.percent_possible_obs ? _reflns_shell.percent_possible_all 75.8 _reflns_shell.Rmerge_I_obs ? _reflns_shell.meanI_over_sigI_obs 3.4 _reflns_shell.pdbx_Rsym_value 0.247 _reflns_shell.pdbx_redundancy 1.5 _reflns_shell.number_unique_all ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 # _refine.entry_id 1ELV _refine.ls_number_reflns_obs 38816 _refine.ls_number_reflns_all 38816 _refine.pdbx_ls_sigma_I 0 _refine.pdbx_ls_sigma_F 0 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.ls_d_res_low 15 _refine.ls_d_res_high 1.7 _refine.ls_percent_reflns_obs ? _refine.ls_R_factor_obs ? _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.186 _refine.ls_R_factor_R_free 0.219 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5 _refine.ls_number_reflns_R_free 1969 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.B_iso_mean 26.7 _refine.aniso_B[1][1] ? _refine.aniso_B[2][2] ? _refine.aniso_B[3][3] ? _refine.aniso_B[1][2] ? _refine.aniso_B[1][3] ? _refine.aniso_B[2][3] ? _refine.solvent_model_details ? _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_ls_cross_valid_method ? _refine.details ;LIKELY BECAUSE OF RADIATION DAMAGES, THE INTERCHAIN DISULFIDE BRIDGE (A410-A534) IS NOT FORMED, SEVERAL CYSTEINES ARE OBSERVED WITH DUAL CONFORMATION (A371, A410, A580, A613) AND DENSITY IS LACKING AT THE END OF SEVERAL GLU (A351, A359, A372, A373, A385, A397, A402, A506), ASP (A357, A541), LYS (A629) AND MET (A545) RESIDUES. (THIS IS BRIEFLY DISCUSSED IN THE ABOVE REFERENCE). ; _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct ? _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'Lamzin (arp.dic)' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_B ? _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_ML ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _refine.pdbx_overall_phase_error ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 2333 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 62 _refine_hist.number_atoms_solvent 317 _refine_hist.number_atoms_total 2712 _refine_hist.d_res_high 1.7 _refine_hist.d_res_low 15 # 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 p_angle_d 0.024 ? ? ? 'X-RAY DIFFRACTION' ? p_bond_d 0.02 ? ? ? 'X-RAY DIFFRACTION' ? # _struct.entry_id 1ELV _struct.title 'CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN COMPLEMENT C1S PROTEASE' _struct.pdbx_descriptor 'COMPLEMENT C1S PROTEASE (E.C.3.4.21.42)' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 1ELV _struct_keywords.pdbx_keywords HYDROLASE _struct_keywords.text 'TRYPSIN-LIKE SERIN PROTEASE, CCP (OR SUSHI OR SCR)MODULE, HYDROLASE' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 2 ? D N N 3 ? E N N 4 ? F N N 4 ? G N N 5 ? H N N 6 ? # 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 ASP A 90 ? PHE A 94 ? ASP A 430 PHE A 434 5 ? 5 HELX_P HELX_P2 2 ALA A 118 ? GLU A 123 ? ALA A 458 GLU A 463 1 ? 6 HELX_P HELX_P3 3 SER A 199 ? ASN A 203 ? SER A 539 ASN A 543 5 ? 5 HELX_P HELX_P4 4 PRO A 236 ? GLU A 242 ? PRO A 576 GLU A 582 1 ? 7 HELX_P HELX_P5 5 TYR A 316 ? ASN A 327 ? TYR A 656 ASN A 667 1 ? 12 # _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 4 SG ? ? ? 1_555 A CYS 48 SG ? ? A CYS 344 A CYS 388 1_555 ? ? ? ? ? ? ? 2.021 ? disulf2 disulf ? ? A CYS 31 SG A ? ? 1_555 A CYS 66 SG ? ? A CYS 371 A CYS 406 1_555 ? ? ? ? ? ? ? 2.040 ? disulf3 disulf ? ? A CYS 240 SG A ? ? 1_555 A CYS 263 SG ? ? A CYS 580 A CYS 603 1_555 ? ? ? ? ? ? ? 2.034 ? disulf4 disulf ? ? A CYS 273 SG A ? ? 1_555 A CYS 304 SG ? ? A CYS 613 A CYS 644 1_555 ? ? ? ? ? ? ? 2.024 ? covale1 covale ? ? B NAG . O4 ? ? ? 1_555 C NAG . C1 ? ? A NAG 1001 A NAG 1002 1_555 ? ? ? ? ? ? ? 1.405 ? covale2 covale ? ? B NAG . C1 ? ? ? 1_555 A ASN 51 ND2 ? ? A NAG 1001 A ASN 391 1_555 ? ? ? ? ? ? ? 1.388 ? covale3 covale ? ? D FUC . C1 ? ? ? 1_555 B NAG . O6 ? ? A FUC 1003 A NAG 1001 1_555 ? ? ? ? ? ? ? 1.399 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 GLU 33 A . ? GLU 373 A PRO 34 A ? PRO 374 A 1 1.37 2 ASN 102 A . ? ASN 442 A PRO 103 A ? PRO 443 A 1 -0.27 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 4 ? B ? 2 ? C ? 7 ? D ? 7 ? # 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 ? anti-parallel A 2 3 ? anti-parallel A 3 4 ? anti-parallel B 1 2 ? anti-parallel C 1 2 ? anti-parallel C 2 3 ? anti-parallel C 3 4 ? anti-parallel C 4 5 ? anti-parallel C 5 6 ? anti-parallel C 6 7 ? anti-parallel D 1 2 ? anti-parallel D 2 3 ? anti-parallel D 3 4 ? anti-parallel D 4 5 ? anti-parallel D 5 6 ? anti-parallel D 6 7 ? 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 GLY A 13 ? VAL A 15 ? GLY A 353 VAL A 355 A 2 VAL A 26 ? CYS A 31 ? VAL A 366 CYS A 371 A 3 GLU A 45 ? CYS A 48 ? GLU A 385 CYS A 388 A 4 TRP A 54 ? VAL A 55 ? TRP A 394 VAL A 395 B 1 TYR A 36 ? MET A 38 ? TYR A 376 MET A 378 B 2 CYS A 66 ? PRO A 68 ? CYS A 406 PRO A 408 C 1 LEU A 209 ? GLY A 214 ? LEU A 549 GLY A 554 C 2 LYS A 228 ? ALA A 235 ? LYS A 568 ALA A 575 C 3 MET A 261 ? GLY A 265 ? MET A 601 GLY A 605 C 4 TYR A 307 ? ARG A 312 ? TYR A 647 ARG A 652 C 5 PHE A 292 ? TRP A 300 ? PHE A 632 TRP A 640 C 6 ALA A 280 ? GLN A 284 ? ALA A 620 GLN A 624 C 7 LEU A 209 ? GLY A 214 ? LEU A 549 GLY A 554 D 1 MET A 147 ? LEU A 148 ? MET A 487 LEU A 488 D 2 MET A 130 ? TYR A 131 ? MET A 470 TYR A 471 D 3 GLN A 97 ? PHE A 100 ? GLN A 437 PHE A 440 D 4 ALA A 105 ? ASN A 111 ? ALA A 445 ASN A 451 D 5 TRP A 114 ? THR A 117 ? TRP A 454 THR A 457 D 6 ALA A 176 ? LEU A 180 ? ALA A 516 LEU A 520 D 7 PRO A 150 ? ILE A 155 ? PRO A 490 ILE A 495 # 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 LYS A 14 ? N LYS A 354 O THR A 30 ? O THR A 370 A 2 3 N ILE A 27 ? N ILE A 367 O TYR A 46 ? O TYR A 386 A 3 4 O HIS A 47 ? O HIS A 387 N VAL A 55 ? N VAL A 395 B 1 2 O TYR A 37 ? O TYR A 377 N VAL A 67 ? N VAL A 407 C 1 2 N GLY A 214 ? N GLY A 554 O LYS A 228 ? O LYS A 568 C 2 3 N ALA A 235 ? N ALA A 575 O CYS A 263 ? O CYS A 603 C 3 4 O ALA A 264 ? O ALA A 604 N GLY A 308 ? N GLY A 648 C 4 5 N THR A 311 ? N THR A 651 O LEU A 297 ? O LEU A 637 C 5 6 O GLY A 296 ? O GLY A 636 N PHE A 281 ? N PHE A 621 C 6 7 N ALA A 282 ? N ALA A 622 O LEU A 211 ? O LEU A 551 D 1 2 N LEU A 148 ? N LEU A 488 O MET A 130 ? O MET A 470 D 2 3 O TYR A 131 ? O TYR A 471 N PHE A 99 ? N PHE A 439 D 3 4 N PHE A 100 ? N PHE A 440 O ALA A 105 ? O ALA A 445 D 4 5 N ILE A 110 ? N ILE A 450 O TRP A 114 ? O TRP A 454 D 5 6 N THR A 117 ? N THR A 457 O ALA A 176 ? O ALA A 516 D 6 7 O ARG A 179 ? O ARG A 519 N GLU A 151 ? N GLU A 491 # 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 CAT Author ? ? ? ? 3 'THE CATALYTIC TRIAD IS: HIS A460 (57), ASP A514 (102), SER A617 (195) (RESIDUE NUMBERS IN THE REFERENCE CHYMOTRYPSINOGEN MOLECULE).' AC1 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG A 1001' AC2 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE NAG A 1002' AC3 Software ? ? ? ? 9 'BINDING SITE FOR RESIDUE FUC A 1003' AC4 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE SO4 A 2001' AC5 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE SO4 A 2002' AC6 Software ? ? ? ? 11 'BINDING SITE FOR RESIDUE NES A 2003' # 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 CAT 3 HIS A 120 ? HIS A 460 . ? 1_555 ? 2 CAT 3 ASP A 174 ? ASP A 514 . ? 1_555 ? 3 CAT 3 SER A 277 ? SER A 617 . ? 1_555 ? 4 AC1 5 ASN A 51 ? ASN A 391 . ? 1_555 ? 5 AC1 5 SER A 53 ? SER A 393 . ? 1_555 ? 6 AC1 5 PRO A 61 ? PRO A 401 . ? 1_555 ? 7 AC1 5 NAG C . ? NAG A 1002 . ? 1_555 ? 8 AC1 5 FUC D . ? FUC A 1003 . ? 1_555 ? 9 AC2 8 HOH H . ? HOH A 86 . ? 1_555 ? 10 AC2 8 HOH H . ? HOH A 197 . ? 1_556 ? 11 AC2 8 HOH H . ? HOH A 246 . ? 1_555 ? 12 AC2 8 HOH H . ? HOH A 252 . ? 1_555 ? 13 AC2 8 HOH H . ? HOH A 319 . ? 1_555 ? 14 AC2 8 GLY A 60 ? GLY A 400 . ? 1_555 ? 15 AC2 8 PRO A 61 ? PRO A 401 . ? 1_555 ? 16 AC2 8 NAG B . ? NAG A 1001 . ? 1_555 ? 17 AC3 9 HOH H . ? HOH A 8 . ? 1_556 ? 18 AC3 9 HOH H . ? HOH A 9 . ? 1_555 ? 19 AC3 9 HOH H . ? HOH A 129 . ? 1_555 ? 20 AC3 9 HOH H . ? HOH A 224 . ? 1_555 ? 21 AC3 9 HIS A 47 ? HIS A 387 . ? 1_555 ? 22 AC3 9 ALA A 49 ? ALA A 389 . ? 1_555 ? 23 AC3 9 PRO A 103 ? PRO A 443 . ? 1_556 ? 24 AC3 9 TRP A 104 ? TRP A 444 . ? 1_556 ? 25 AC3 9 NAG B . ? NAG A 1001 . ? 1_555 ? 26 AC4 8 HOH H . ? HOH A 9 . ? 1_554 ? 27 AC4 8 HOH H . ? HOH A 47 . ? 1_555 ? 28 AC4 8 HOH H . ? HOH A 139 . ? 1_555 ? 29 AC4 8 HOH H . ? HOH A 209 . ? 1_555 ? 30 AC4 8 HIS A 120 ? HIS A 460 . ? 1_555 ? 31 AC4 8 LYS A 274 ? LYS A 614 . ? 1_555 ? 32 AC4 8 GLY A 275 ? GLY A 615 . ? 1_555 ? 33 AC4 8 SER A 277 ? SER A 617 . ? 1_555 ? 34 AC5 6 HOH H . ? HOH A 34 . ? 1_555 ? 35 AC5 6 ARG A 221 ? ARG A 561 . ? 1_555 ? 36 AC5 6 ALA A 224 ? ALA A 564 . ? 1_555 ? 37 AC5 6 VAL A 225 ? VAL A 565 . ? 1_555 ? 38 AC5 6 ARG A 226 ? ARG A 566 . ? 1_555 ? 39 AC5 6 LYS A 228 ? LYS A 568 . ? 1_555 ? 40 AC6 11 HOH H . ? HOH A 5 . ? 1_555 ? 41 AC6 11 HOH H . ? HOH A 53 . ? 1_555 ? 42 AC6 11 HOH H . ? HOH A 175 . ? 1_555 ? 43 AC6 11 HOH H . ? HOH A 214 . ? 1_555 ? 44 AC6 11 HIS A 156 ? HIS A 496 . ? 1_555 ? 45 AC6 11 ASN A 173 ? ASN A 513 . ? 1_555 ? 46 AC6 11 ASN A 260 ? ASN A 600 . ? 1_555 ? 47 AC6 11 ASN A 315 ? ASN A 655 . ? 1_555 ? 48 AC6 11 TYR A 316 ? TYR A 656 . ? 1_555 ? 49 AC6 11 ASP A 318 ? ASP A 658 . ? 1_555 ? 50 AC6 11 TRP A 319 ? TRP A 659 . ? 1_555 ? # _database_PDB_matrix.entry_id 1ELV _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 1ELV _atom_sites.fract_transf_matrix[1][1] 0.02559 _atom_sites.fract_transf_matrix[1][2] 0.00000 _atom_sites.fract_transf_matrix[1][3] 0.00055 _atom_sites.fract_transf_matrix[2][1] 0.00000 _atom_sites.fract_transf_matrix[2][2] 0.01255 _atom_sites.fract_transf_matrix[2][3] 0.00000 _atom_sites.fract_transf_matrix[3][1] 0.00000 _atom_sites.fract_transf_matrix[3][2] 0.00000 _atom_sites.fract_transf_matrix[3][3] 0.01661 _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 N O S # 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 . LEU A 1 2 ? -7.165 -16.541 57.805 1.00 33.46 ? 342 LEU A N 1 ATOM 2 C CA . LEU A 1 2 ? -5.805 -17.078 57.945 1.00 31.16 ? 342 LEU A CA 1 ATOM 3 C C . LEU A 1 2 ? -5.315 -17.821 56.713 1.00 29.17 ? 342 LEU A C 1 ATOM 4 O O . LEU A 1 2 ? -4.138 -18.189 56.710 1.00 28.61 ? 342 LEU A O 1 ATOM 5 C CB . LEU A 1 2 ? -5.543 -17.848 59.204 1.00 33.82 ? 342 LEU A CB 1 ATOM 6 N N . ASP A 1 3 ? -6.175 -18.017 55.728 1.00 27.14 ? 343 ASP A N 1 ATOM 7 C CA . ASP A 1 3 ? -5.774 -18.646 54.471 1.00 23.31 ? 343 ASP A CA 1 ATOM 8 C C . ASP A 1 3 ? -5.995 -17.620 53.357 1.00 22.04 ? 343 ASP A C 1 ATOM 9 O O . ASP A 1 3 ? -7.127 -17.176 53.132 1.00 22.42 ? 343 ASP A O 1 ATOM 10 C CB . ASP A 1 3 ? -6.567 -19.906 54.169 1.00 23.75 ? 343 ASP A CB 1 ATOM 11 C CG . ASP A 1 3 ? -6.182 -20.605 52.889 1.00 24.68 ? 343 ASP A CG 1 ATOM 12 O OD1 . ASP A 1 3 ? -5.161 -20.242 52.286 1.00 24.66 ? 343 ASP A OD1 1 ATOM 13 O OD2 . ASP A 1 3 ? -6.914 -21.535 52.474 1.00 24.93 ? 343 ASP A OD2 1 ATOM 14 N N . CYS A 1 4 ? -4.935 -17.263 52.652 1.00 20.82 ? 344 CYS A N 1 ATOM 15 C CA . CYS A 1 4 ? -4.997 -16.319 51.565 1.00 20.17 ? 344 CYS A CA 1 ATOM 16 C C . CYS A 1 4 ? -5.407 -17.003 50.257 1.00 19.80 ? 344 CYS A C 1 ATOM 17 O O . CYS A 1 4 ? -5.751 -16.298 49.310 1.00 20.04 ? 344 CYS A O 1 ATOM 18 C CB . CYS A 1 4 ? -3.640 -15.618 51.364 1.00 18.95 ? 344 CYS A CB 1 ATOM 19 S SG . CYS A 1 4 ? -3.298 -14.351 52.650 1.00 20.45 ? 344 CYS A SG 1 ATOM 20 N N . GLY A 1 5 ? -5.352 -18.322 50.226 1.00 19.72 ? 345 GLY A N 1 ATOM 21 C CA . GLY A 1 5 ? -5.728 -19.108 49.066 1.00 18.79 ? 345 GLY A CA 1 ATOM 22 C C . GLY A 1 5 ? -4.633 -19.166 48.026 1.00 19.32 ? 345 GLY A C 1 ATOM 23 O O . GLY A 1 5 ? -3.625 -18.469 48.096 1.00 17.31 ? 345 GLY A O 1 ATOM 24 N N . ILE A 1 6 ? -4.808 -20.067 47.055 1.00 20.15 ? 346 ILE A N 1 ATOM 25 C CA . ILE A 1 6 ? -3.818 -20.173 45.975 1.00 21.55 ? 346 ILE A CA 1 ATOM 26 C C . ILE A 1 6 ? -3.859 -18.838 45.233 1.00 22.13 ? 346 ILE A C 1 ATOM 27 O O . ILE A 1 6 ? -4.944 -18.335 44.947 1.00 22.02 ? 346 ILE A O 1 ATOM 28 C CB . ILE A 1 6 ? -4.291 -21.294 45.021 1.00 24.70 ? 346 ILE A CB 1 ATOM 29 C CG1 . ILE A 1 6 ? -4.313 -22.635 45.733 1.00 25.84 ? 346 ILE A CG1 1 ATOM 30 C CG2 . ILE A 1 6 ? -3.432 -21.315 43.773 1.00 25.40 ? 346 ILE A CG2 1 ATOM 31 C CD1 . ILE A 1 6 ? -2.983 -23.195 46.147 1.00 26.72 ? 346 ILE A CD1 1 ATOM 32 N N . PRO A 1 7 ? -2.710 -18.237 44.949 1.00 21.74 ? 347 PRO A N 1 ATOM 33 C CA . PRO A 1 7 ? -2.668 -16.956 44.292 1.00 22.67 ? 347 PRO A CA 1 ATOM 34 C C . PRO A 1 7 ? -3.113 -17.034 42.836 1.00 23.46 ? 347 PRO A C 1 ATOM 35 O O . PRO A 1 7 ? -2.932 -18.066 42.205 1.00 23.59 ? 347 PRO A O 1 ATOM 36 C CB . PRO A 1 7 ? -1.210 -16.539 44.372 1.00 22.41 ? 347 PRO A CB 1 ATOM 37 C CG . PRO A 1 7 ? -0.432 -17.756 44.676 1.00 23.36 ? 347 PRO A CG 1 ATOM 38 C CD . PRO A 1 7 ? -1.374 -18.759 45.289 1.00 22.51 ? 347 PRO A CD 1 ATOM 39 N N . GLU A 1 8 ? -3.672 -15.941 42.369 1.00 25.15 ? 348 GLU A N 1 ATOM 40 C CA . GLU A 1 8 ? -4.133 -15.848 40.985 1.00 27.50 ? 348 GLU A CA 1 ATOM 41 C C . GLU A 1 8 ? -2.916 -15.711 40.087 1.00 28.16 ? 348 GLU A C 1 ATOM 42 O O . GLU A 1 8 ? -1.925 -15.106 40.490 1.00 28.19 ? 348 GLU A O 1 ATOM 43 C CB . GLU A 1 8 ? -5.012 -14.600 40.845 1.00 28.43 ? 348 GLU A CB 1 ATOM 44 C CG . GLU A 1 8 ? -6.302 -14.702 41.638 1.00 32.17 ? 348 GLU A CG 1 ATOM 45 C CD . GLU A 1 8 ? -7.218 -13.596 41.464 0.00 38.00 ? 348 GLU A CD 1 ATOM 46 O OE1 . GLU A 1 8 ? -7.053 -12.641 42.259 0.00 39.91 ? 348 GLU A OE1 1 ATOM 47 O OE2 . GLU A 1 8 ? -8.073 -13.588 40.552 0.00 39.94 ? 348 GLU A OE2 1 ATOM 48 N N . SER A 1 9 ? -3.002 -16.276 38.888 1.00 28.52 ? 349 SER A N 1 ATOM 49 C CA . SER A 1 9 ? -1.864 -16.154 37.986 1.00 28.55 ? 349 SER A CA 1 ATOM 50 C C . SER A 1 9 ? -1.969 -14.822 37.244 1.00 27.52 ? 349 SER A C 1 ATOM 51 O O . SER A 1 9 ? -2.950 -14.100 37.381 1.00 27.80 ? 349 SER A O 1 ATOM 52 C CB . SER A 1 9 ? -1.857 -17.296 36.968 0.60 28.76 ? 349 SER A CB 1 ATOM 53 O OG A SER A 1 9 ? -3.108 -17.326 36.293 0.30 28.67 ? 349 SER A OG 1 ATOM 54 O OG B SER A 1 9 ? -0.558 -17.406 36.403 0.40 28.21 ? 349 SER A OG 1 ATOM 55 N N . ILE A 1 10 ? -0.927 -14.506 36.495 1.00 26.78 ? 350 ILE A N 1 ATOM 56 C CA . ILE A 1 10 ? -0.914 -13.267 35.728 1.00 25.59 ? 350 ILE A CA 1 ATOM 57 C C . ILE A 1 10 ? -0.584 -13.614 34.274 1.00 25.09 ? 350 ILE A C 1 ATOM 58 O O . ILE A 1 10 ? 0.025 -14.650 34.026 1.00 23.56 ? 350 ILE A O 1 ATOM 59 C CB . ILE A 1 10 ? 0.152 -12.270 36.217 1.00 26.23 ? 350 ILE A CB 1 ATOM 60 C CG1 . ILE A 1 10 ? 1.517 -12.934 36.338 1.00 24.41 ? 350 ILE A CG1 1 ATOM 61 C CG2 . ILE A 1 10 ? -0.291 -11.624 37.520 1.00 25.04 ? 350 ILE A CG2 1 ATOM 62 C CD1 . ILE A 1 10 ? 2.662 -11.997 36.665 1.00 27.02 ? 350 ILE A CD1 1 ATOM 63 N N . GLU A 1 11 ? -0.968 -12.731 33.370 1.00 25.32 ? 351 GLU A N 1 ATOM 64 C CA . GLU A 1 11 ? -0.638 -13.039 31.968 1.00 24.50 ? 351 GLU A CA 1 ATOM 65 C C . GLU A 1 11 ? 0.848 -12.864 31.759 1.00 23.74 ? 351 GLU A C 1 ATOM 66 O O . GLU A 1 11 ? 1.475 -11.928 32.271 1.00 23.02 ? 351 GLU A O 1 ATOM 67 C CB . GLU A 1 11 ? -1.446 -12.094 31.068 1.00 26.21 ? 351 GLU A CB 1 ATOM 68 C CG . GLU A 1 11 ? -2.903 -11.982 31.415 0.00 31.56 ? 351 GLU A CG 1 ATOM 69 C CD . GLU A 1 11 ? -3.463 -10.776 30.483 0.00 36.22 ? 351 GLU A CD 1 ATOM 70 O OE1 . GLU A 1 11 ? -2.697 -9.938 29.952 0.00 37.74 ? 351 GLU A OE1 1 ATOM 71 O OE2 . GLU A 1 11 ? -4.710 -10.747 30.342 0.00 38.64 ? 351 GLU A OE2 1 ATOM 72 N N . ASN A 1 12 ? 1.468 -13.752 31.002 1.00 23.00 ? 352 ASN A N 1 ATOM 73 C CA . ASN A 1 12 ? 2.863 -13.713 30.641 1.00 25.07 ? 352 ASN A CA 1 ATOM 74 C C . ASN A 1 12 ? 3.841 -13.817 31.792 1.00 24.96 ? 352 ASN A C 1 ATOM 75 O O . ASN A 1 12 ? 4.967 -13.337 31.750 1.00 25.99 ? 352 ASN A O 1 ATOM 76 C CB . ASN A 1 12 ? 3.168 -12.458 29.807 1.00 25.65 ? 352 ASN A CB 1 ATOM 77 C CG . ASN A 1 12 ? 2.205 -12.418 28.612 1.00 25.82 ? 352 ASN A CG 1 ATOM 78 O OD1 . ASN A 1 12 ? 2.012 -13.449 27.985 1.00 30.34 ? 352 ASN A OD1 1 ATOM 79 N ND2 . ASN A 1 12 ? 1.577 -11.290 28.404 1.00 27.28 ? 352 ASN A ND2 1 ATOM 80 N N . GLY A 1 13 ? 3.380 -14.476 32.842 1.00 26.56 ? 353 GLY A N 1 ATOM 81 C CA . GLY A 1 13 ? 4.212 -14.676 34.025 1.00 25.56 ? 353 GLY A CA 1 ATOM 82 C C . GLY A 1 13 ? 3.602 -15.840 34.789 1.00 25.48 ? 353 GLY A C 1 ATOM 83 O O . GLY A 1 13 ? 2.614 -16.420 34.356 1.00 25.03 ? 353 GLY A O 1 ATOM 84 N N . LYS A 1 14 ? 4.225 -16.176 35.914 1.00 24.76 ? 354 LYS A N 1 ATOM 85 C CA . LYS A 1 14 ? 3.628 -17.275 36.678 1.00 25.51 ? 354 LYS A CA 1 ATOM 86 C C . LYS A 1 14 ? 3.892 -17.002 38.161 1.00 23.92 ? 354 LYS A C 1 ATOM 87 O O . LYS A 1 14 ? 4.705 -16.143 38.482 1.00 21.92 ? 354 LYS A O 1 ATOM 88 C CB . LYS A 1 14 ? 4.256 -18.603 36.289 1.00 29.53 ? 354 LYS A CB 1 ATOM 89 C CG . LYS A 1 14 ? 5.732 -18.740 36.631 1.00 32.85 ? 354 LYS A CG 1 ATOM 90 C CD . LYS A 1 14 ? 6.176 -20.187 36.439 1.00 38.04 ? 354 LYS A CD 1 ATOM 91 C CE . LYS A 1 14 ? 6.748 -20.773 37.707 1.00 40.30 ? 354 LYS A CE 1 ATOM 92 N NZ . LYS A 1 14 ? 7.446 -22.068 37.488 1.00 43.17 ? 354 LYS A NZ 1 ATOM 93 N N . VAL A 1 15 ? 3.194 -17.780 38.960 1.00 23.98 ? 355 VAL A N 1 ATOM 94 C CA . VAL A 1 15 ? 3.440 -17.661 40.402 1.00 24.16 ? 355 VAL A CA 1 ATOM 95 C C . VAL A 1 15 ? 4.130 -18.979 40.754 1.00 24.58 ? 355 VAL A C 1 ATOM 96 O O . VAL A 1 15 ? 3.700 -20.045 40.283 1.00 23.05 ? 355 VAL A O 1 ATOM 97 C CB . VAL A 1 15 ? 2.181 -17.377 41.184 1.00 26.30 ? 355 VAL A CB 1 ATOM 98 C CG1 . VAL A 1 15 ? 1.165 -18.493 41.069 1.00 27.72 ? 355 VAL A CG1 1 ATOM 99 C CG2 . VAL A 1 15 ? 2.521 -17.094 42.642 1.00 26.65 ? 355 VAL A CG2 1 ATOM 100 N N . GLU A 1 16 ? 5.237 -18.917 41.467 1.00 24.99 ? 356 GLU A N 1 ATOM 101 C CA . GLU A 1 16 ? 5.947 -20.154 41.817 1.00 27.60 ? 356 GLU A CA 1 ATOM 102 C C . GLU A 1 16 ? 5.019 -20.985 42.692 1.00 27.80 ? 356 GLU A C 1 ATOM 103 O O . GLU A 1 16 ? 4.174 -20.411 43.369 1.00 27.60 ? 356 GLU A O 1 ATOM 104 C CB . GLU A 1 16 ? 7.270 -19.860 42.492 1.00 30.03 ? 356 GLU A CB 1 ATOM 105 C CG . GLU A 1 16 ? 8.172 -18.831 41.864 0.50 33.12 ? 356 GLU A CG 1 ATOM 106 C CD . GLU A 1 16 ? 7.988 -18.615 40.390 0.50 34.99 ? 356 GLU A CD 1 ATOM 107 O OE1 . GLU A 1 16 ? 8.527 -19.406 39.596 0.50 36.44 ? 356 GLU A OE1 1 ATOM 108 O OE2 . GLU A 1 16 ? 7.286 -17.650 40.015 0.50 36.15 ? 356 GLU A OE2 1 ATOM 109 N N . ASP A 1 17 ? 5.127 -22.310 42.639 1.00 27.70 ? 357 ASP A N 1 ATOM 110 C CA . ASP A 1 17 ? 4.216 -23.121 43.469 1.00 27.84 ? 357 ASP A CA 1 ATOM 111 C C . ASP A 1 17 ? 4.410 -22.718 44.925 1.00 26.23 ? 357 ASP A C 1 ATOM 112 O O . ASP A 1 17 ? 5.526 -22.746 45.437 1.00 26.20 ? 357 ASP A O 1 ATOM 113 C CB . ASP A 1 17 ? 4.523 -24.599 43.280 1.00 30.43 ? 357 ASP A CB 1 ATOM 114 C CG . ASP A 1 17 ? 4.244 -25.096 41.883 0.50 31.48 ? 357 ASP A CG 1 ATOM 115 O OD1 . ASP A 1 17 ? 3.545 -24.398 41.121 0.50 32.27 ? 357 ASP A OD1 1 ATOM 116 O OD2 . ASP A 1 17 ? 4.725 -26.197 41.539 0.50 31.77 ? 357 ASP A OD2 1 ATOM 117 N N . PRO A 1 18 ? 3.343 -22.289 45.571 1.00 25.50 ? 358 PRO A N 1 ATOM 118 C CA . PRO A 1 18 ? 3.412 -21.839 46.930 1.00 24.83 ? 358 PRO A CA 1 ATOM 119 C C . PRO A 1 18 ? 3.694 -22.962 47.911 1.00 24.50 ? 358 PRO A C 1 ATOM 120 O O . PRO A 1 18 ? 3.058 -24.010 47.848 1.00 25.29 ? 358 PRO A O 1 ATOM 121 C CB . PRO A 1 18 ? 2.040 -21.244 47.211 1.00 25.55 ? 358 PRO A CB 1 ATOM 122 C CG . PRO A 1 18 ? 1.181 -21.511 46.056 1.00 27.37 ? 358 PRO A CG 1 ATOM 123 C CD . PRO A 1 18 ? 1.977 -22.197 45.011 1.00 26.61 ? 358 PRO A CD 1 ATOM 124 N N . GLU A 1 19 ? 4.600 -22.709 48.841 1.00 23.85 ? 359 GLU A N 1 ATOM 125 C CA . GLU A 1 19 ? 4.902 -23.720 49.862 1.00 23.33 ? 359 GLU A CA 1 ATOM 126 C C . GLU A 1 19 ? 3.698 -23.775 50.812 1.00 21.84 ? 359 GLU A C 1 ATOM 127 O O . GLU A 1 19 ? 3.348 -24.836 51.307 1.00 23.46 ? 359 GLU A O 1 ATOM 128 C CB . GLU A 1 19 ? 6.151 -23.299 50.625 1.00 26.85 ? 359 GLU A CB 1 ATOM 129 C CG . GLU A 1 19 ? 7.315 -22.726 49.671 0.00 33.12 ? 359 GLU A CG 1 ATOM 130 C CD . GLU A 1 19 ? 8.621 -22.423 50.376 0.00 36.04 ? 359 GLU A CD 1 ATOM 131 O OE1 . GLU A 1 19 ? 9.439 -21.702 49.886 0.50 44.90 ? 359 GLU A OE1 1 ATOM 132 O OE2 . GLU A 1 19 ? 9.066 -23.341 51.282 0.50 44.85 ? 359 GLU A OE2 1 ATOM 133 N N . SER A 1 20 ? 3.092 -22.624 51.004 1.00 19.11 ? 360 SER A N 1 ATOM 134 C CA . SER A 1 20 ? 1.928 -22.503 51.879 1.00 18.16 ? 360 SER A CA 1 ATOM 135 C C . SER A 1 20 ? 1.101 -21.319 51.438 1.00 16.73 ? 360 SER A C 1 ATOM 136 O O . SER A 1 20 ? 1.625 -20.418 50.750 1.00 17.15 ? 360 SER A O 1 ATOM 137 C CB . SER A 1 20 ? 2.440 -22.308 53.322 1.00 18.61 ? 360 SER A CB 1 ATOM 138 O OG . SER A 1 20 ? 1.334 -21.966 54.153 1.00 17.66 ? 360 SER A OG 1 ATOM 139 N N . THR A 1 21 ? -0.179 -21.284 51.767 1.00 14.09 ? 361 THR A N 1 ATOM 140 C CA . THR A 1 21 ? -1.052 -20.168 51.437 1.00 15.73 ? 361 THR A CA 1 ATOM 141 C C . THR A 1 21 ? -1.596 -19.519 52.704 1.00 16.84 ? 361 THR A C 1 ATOM 142 O O . THR A 1 21 ? -2.526 -18.718 52.694 1.00 17.88 ? 361 THR A O 1 ATOM 143 C CB . THR A 1 21 ? -2.229 -20.577 50.530 1.00 17.23 ? 361 THR A CB 1 ATOM 144 O OG1 . THR A 1 21 ? -3.051 -21.551 51.184 1.00 16.43 ? 361 THR A OG1 1 ATOM 145 C CG2 . THR A 1 21 ? -1.720 -21.230 49.246 1.00 17.78 ? 361 THR A CG2 1 ATOM 146 N N . LEU A 1 22 ? -0.992 -19.886 53.836 1.00 15.50 ? 362 LEU A N 1 ATOM 147 C CA . LEU A 1 22 ? -1.455 -19.378 55.113 1.00 15.57 ? 362 LEU A CA 1 ATOM 148 C C . LEU A 1 22 ? -0.700 -18.154 55.584 1.00 15.53 ? 362 LEU A C 1 ATOM 149 O O . LEU A 1 22 ? 0.335 -17.802 55.046 1.00 15.13 ? 362 LEU A O 1 ATOM 150 C CB . LEU A 1 22 ? -1.343 -20.521 56.133 1.00 15.15 ? 362 LEU A CB 1 ATOM 151 C CG . LEU A 1 22 ? -2.062 -21.813 55.681 1.00 15.98 ? 362 LEU A CG 1 ATOM 152 C CD1 . LEU A 1 22 ? -1.896 -22.844 56.789 1.00 17.95 ? 362 LEU A CD1 1 ATOM 153 C CD2 . LEU A 1 22 ? -3.533 -21.538 55.410 1.00 14.91 ? 362 LEU A CD2 1 ATOM 154 N N . PHE A 1 23 ? -1.244 -17.499 56.608 1.00 15.46 ? 363 PHE A N 1 ATOM 155 C CA . PHE A 1 23 ? -0.653 -16.282 57.150 1.00 15.54 ? 363 PHE A CA 1 ATOM 156 C C . PHE A 1 23 ? 0.856 -16.356 57.284 1.00 14.38 ? 363 PHE A C 1 ATOM 157 O O . PHE A 1 23 ? 1.396 -17.299 57.839 1.00 15.24 ? 363 PHE A O 1 ATOM 158 C CB . PHE A 1 23 ? -1.260 -16.041 58.553 1.00 15.73 ? 363 PHE A CB 1 ATOM 159 C CG . PHE A 1 23 ? -0.676 -14.812 59.210 1.00 16.52 ? 363 PHE A CG 1 ATOM 160 C CD1 . PHE A 1 23 ? -1.053 -13.560 58.774 1.00 17.20 ? 363 PHE A CD1 1 ATOM 161 C CD2 . PHE A 1 23 ? 0.210 -14.917 60.265 1.00 20.56 ? 363 PHE A CD2 1 ATOM 162 C CE1 . PHE A 1 23 ? -0.542 -12.409 59.356 1.00 18.91 ? 363 PHE A CE1 1 ATOM 163 C CE2 . PHE A 1 23 ? 0.738 -13.773 60.851 1.00 19.74 ? 363 PHE A CE2 1 ATOM 164 C CZ . PHE A 1 23 ? 0.356 -12.526 60.406 1.00 19.99 ? 363 PHE A CZ 1 ATOM 165 N N . GLY A 1 24 ? 1.564 -15.357 56.759 1.00 14.47 ? 364 GLY A N 1 ATOM 166 C CA . GLY A 1 24 ? 3.000 -15.256 56.855 1.00 14.72 ? 364 GLY A CA 1 ATOM 167 C C . GLY A 1 24 ? 3.774 -15.970 55.765 1.00 15.25 ? 364 GLY A C 1 ATOM 168 O O . GLY A 1 24 ? 4.996 -15.860 55.689 1.00 16.16 ? 364 GLY A O 1 ATOM 169 N N . SER A 1 25 ? 3.057 -16.701 54.908 1.00 14.58 ? 365 SER A N 1 ATOM 170 C CA . SER A 1 25 ? 3.722 -17.363 53.800 1.00 14.49 ? 365 SER A CA 1 ATOM 171 C C . SER A 1 25 ? 4.093 -16.310 52.749 1.00 14.16 ? 365 SER A C 1 ATOM 172 O O . SER A 1 25 ? 3.539 -15.221 52.775 1.00 13.74 ? 365 SER A O 1 ATOM 173 C CB A SER A 1 25 ? 2.680 -18.292 53.125 0.60 15.38 ? 365 SER A CB 1 ATOM 174 C CB B SER A 1 25 ? 2.889 -18.485 53.220 0.40 14.33 ? 365 SER A CB 1 ATOM 175 O OG A SER A 1 25 ? 2.320 -19.330 53.996 0.55 14.97 ? 365 SER A OG 1 ATOM 176 O OG B SER A 1 25 ? 1.614 -18.048 52.811 0.30 10.99 ? 365 SER A OG 1 ATOM 177 N N . VAL A 1 26 ? 5.040 -16.661 51.900 1.00 14.72 ? 366 VAL A N 1 ATOM 178 C CA . VAL A 1 26 ? 5.431 -15.752 50.835 1.00 15.52 ? 366 VAL A CA 1 ATOM 179 C C . VAL A 1 26 ? 5.346 -16.476 49.495 1.00 15.59 ? 366 VAL A C 1 ATOM 180 O O . VAL A 1 26 ? 5.549 -17.683 49.374 1.00 15.50 ? 366 VAL A O 1 ATOM 181 C CB . VAL A 1 26 ? 6.827 -15.147 50.987 1.00 16.13 ? 366 VAL A CB 1 ATOM 182 C CG1 . VAL A 1 26 ? 6.909 -14.192 52.161 1.00 15.95 ? 366 VAL A CG1 1 ATOM 183 C CG2 . VAL A 1 26 ? 7.905 -16.214 51.079 1.00 19.77 ? 366 VAL A CG2 1 ATOM 184 N N . ILE A 1 27 ? 5.032 -15.693 48.466 1.00 15.68 ? 367 ILE A N 1 ATOM 185 C CA . ILE A 1 27 ? 4.971 -16.273 47.124 1.00 17.04 ? 367 ILE A CA 1 ATOM 186 C C . ILE A 1 27 ? 5.715 -15.282 46.237 1.00 17.00 ? 367 ILE A C 1 ATOM 187 O O . ILE A 1 27 ? 5.909 -14.123 46.614 1.00 15.88 ? 367 ILE A O 1 ATOM 188 C CB . ILE A 1 27 ? 3.545 -16.442 46.581 1.00 16.81 ? 367 ILE A CB 1 ATOM 189 C CG1 . ILE A 1 27 ? 2.787 -15.129 46.674 1.00 19.21 ? 367 ILE A CG1 1 ATOM 190 C CG2 . ILE A 1 27 ? 2.817 -17.587 47.260 1.00 18.50 ? 367 ILE A CG2 1 ATOM 191 C CD1 . ILE A 1 27 ? 1.551 -14.944 45.869 1.00 21.48 ? 367 ILE A CD1 1 ATOM 192 N N . ARG A 1 28 ? 6.112 -15.766 45.071 1.00 17.72 ? 368 ARG A N 1 ATOM 193 C CA . ARG A 1 28 ? 6.830 -14.854 44.193 1.00 18.94 ? 368 ARG A CA 1 ATOM 194 C C . ARG A 1 28 ? 6.296 -15.030 42.767 1.00 18.90 ? 368 ARG A C 1 ATOM 195 O O . ARG A 1 28 ? 6.101 -16.154 42.337 1.00 18.96 ? 368 ARG A O 1 ATOM 196 C CB . ARG A 1 28 ? 8.327 -15.150 44.228 1.00 23.65 ? 368 ARG A CB 1 ATOM 197 C CG . ARG A 1 28 ? 9.143 -14.162 43.402 1.00 32.09 ? 368 ARG A CG 1 ATOM 198 C CD . ARG A 1 28 ? 10.626 -14.503 43.434 1.00 35.83 ? 368 ARG A CD 1 ATOM 199 N NE . ARG A 1 28 ? 10.964 -15.481 42.417 0.50 39.05 ? 368 ARG A NE 1 ATOM 200 C CZ . ARG A 1 28 ? 12.126 -15.593 41.807 0.50 40.83 ? 368 ARG A CZ 1 ATOM 201 N NH1 . ARG A 1 28 ? 13.139 -14.784 42.090 0.50 42.09 ? 368 ARG A NH1 1 ATOM 202 N NH2 . ARG A 1 28 ? 12.294 -16.537 40.895 0.50 42.83 ? 368 ARG A NH2 1 ATOM 203 N N . TYR A 1 29 ? 6.064 -13.884 42.149 1.00 18.11 ? 369 TYR A N 1 ATOM 204 C CA . TYR A 1 29 ? 5.616 -13.904 40.754 1.00 19.39 ? 369 TYR A CA 1 ATOM 205 C C . TYR A 1 29 ? 6.860 -13.714 39.901 1.00 20.03 ? 369 TYR A C 1 ATOM 206 O O . TYR A 1 29 ? 7.750 -12.961 40.275 1.00 20.03 ? 369 TYR A O 1 ATOM 207 C CB . TYR A 1 29 ? 4.665 -12.739 40.473 1.00 18.97 ? 369 TYR A CB 1 ATOM 208 C CG . TYR A 1 29 ? 3.262 -12.994 40.953 1.00 19.48 ? 369 TYR A CG 1 ATOM 209 C CD1 . TYR A 1 29 ? 2.899 -12.637 42.246 1.00 18.21 ? 369 TYR A CD1 1 ATOM 210 C CD2 . TYR A 1 29 ? 2.331 -13.640 40.163 1.00 18.69 ? 369 TYR A CD2 1 ATOM 211 C CE1 . TYR A 1 29 ? 1.619 -12.874 42.680 1.00 20.59 ? 369 TYR A CE1 1 ATOM 212 C CE2 . TYR A 1 29 ? 1.042 -13.879 40.588 1.00 20.19 ? 369 TYR A CE2 1 ATOM 213 C CZ . TYR A 1 29 ? 0.696 -13.497 41.868 1.00 20.34 ? 369 TYR A CZ 1 ATOM 214 O OH . TYR A 1 29 ? -0.558 -13.741 42.344 1.00 20.79 ? 369 TYR A OH 1 ATOM 215 N N . THR A 1 30 ? 6.921 -14.409 38.778 1.00 21.44 ? 370 THR A N 1 ATOM 216 C CA . THR A 1 30 ? 8.088 -14.256 37.904 1.00 24.60 ? 370 THR A CA 1 ATOM 217 C C . THR A 1 30 ? 7.525 -14.022 36.493 1.00 25.28 ? 370 THR A C 1 ATOM 218 O O . THR A 1 30 ? 6.474 -14.576 36.195 1.00 25.48 ? 370 THR A O 1 ATOM 219 C CB . THR A 1 30 ? 8.978 -15.501 37.891 1.00 26.19 ? 370 THR A CB 1 ATOM 220 O OG1 . THR A 1 30 ? 8.186 -16.660 37.599 1.00 30.45 ? 370 THR A OG1 1 ATOM 221 C CG2 . THR A 1 30 ? 9.675 -15.724 39.220 1.00 27.72 ? 370 THR A CG2 1 ATOM 222 N N . CYS A 1 31 ? 8.179 -13.188 35.722 1.00 26.98 ? 371 CYS A N 1 ATOM 223 C CA . CYS A 1 31 ? 7.652 -12.955 34.359 1.00 29.55 ? 371 CYS A CA 1 ATOM 224 C C . CYS A 1 31 ? 8.245 -14.011 33.455 1.00 30.34 ? 371 CYS A C 1 ATOM 225 O O . CYS A 1 31 ? 9.254 -14.630 33.829 1.00 30.52 ? 371 CYS A O 1 ATOM 226 C CB A CYS A 1 31 ? 7.849 -11.528 33.917 0.60 30.31 ? 371 CYS A CB 1 ATOM 227 C CB B CYS A 1 31 ? 8.192 -11.573 33.924 0.40 30.06 ? 371 CYS A CB 1 ATOM 228 S SG A CYS A 1 31 ? 6.769 -10.317 34.698 0.50 31.01 ? 371 CYS A SG 1 ATOM 229 S SG B CYS A 1 31 ? 10.010 -11.536 33.970 0.30 32.44 ? 371 CYS A SG 1 ATOM 230 N N . GLU A 1 32 ? 7.672 -14.240 32.288 1.00 31.23 ? 372 GLU A N 1 ATOM 231 C CA . GLU A 1 32 ? 8.209 -15.239 31.368 1.00 32.10 ? 372 GLU A CA 1 ATOM 232 C C . GLU A 1 32 ? 9.458 -14.727 30.679 1.00 32.69 ? 372 GLU A C 1 ATOM 233 O O . GLU A 1 32 ? 9.385 -14.103 29.621 1.00 31.55 ? 372 GLU A O 1 ATOM 234 C CB . GLU A 1 32 ? 7.138 -15.617 30.346 1.00 34.26 ? 372 GLU A CB 1 ATOM 235 C CG . GLU A 1 32 ? 7.522 -16.763 29.435 1.00 37.40 ? 372 GLU A CG 1 ATOM 236 C CD . GLU A 1 32 ? 6.420 -17.083 28.438 1.00 40.56 ? 372 GLU A CD 1 ATOM 237 O OE1 . GLU A 1 32 ? 5.399 -16.445 28.394 0.00 40.88 ? 372 GLU A OE1 1 ATOM 238 O OE2 . GLU A 1 32 ? 6.635 -18.113 27.685 0.00 42.66 ? 372 GLU A OE2 1 ATOM 239 N N . GLU A 1 33 ? 10.627 -14.972 31.256 1.00 32.30 ? 373 GLU A N 1 ATOM 240 C CA . GLU A 1 33 ? 11.885 -14.522 30.687 1.00 32.39 ? 373 GLU A CA 1 ATOM 241 C C . GLU A 1 33 ? 12.353 -15.461 29.593 1.00 31.54 ? 373 GLU A C 1 ATOM 242 O O . GLU A 1 33 ? 12.017 -16.643 29.581 1.00 33.13 ? 373 GLU A O 1 ATOM 243 C CB . GLU A 1 33 ? 12.961 -14.425 31.774 1.00 34.35 ? 373 GLU A CB 1 ATOM 244 C CG . GLU A 1 33 ? 12.740 -13.642 33.101 0.00 39.10 ? 373 GLU A CG 1 ATOM 245 C CD . GLU A 1 33 ? 13.992 -13.592 33.962 0.00 41.32 ? 373 GLU A CD 1 ATOM 246 O OE1 . GLU A 1 33 ? 14.175 -14.510 34.795 0.00 42.79 ? 373 GLU A OE1 1 ATOM 247 O OE2 . GLU A 1 33 ? 14.784 -12.645 33.784 0.00 42.48 ? 373 GLU A OE2 1 ATOM 248 N N . PRO A 1 34 ? 13.118 -14.931 28.658 1.00 30.82 ? 374 PRO A N 1 ATOM 249 C CA . PRO A 1 34 ? 13.549 -13.557 28.628 1.00 29.50 ? 374 PRO A CA 1 ATOM 250 C C . PRO A 1 34 ? 12.676 -12.633 27.806 1.00 27.93 ? 374 PRO A C 1 ATOM 251 O O . PRO A 1 34 ? 13.113 -11.530 27.468 1.00 28.93 ? 374 PRO A O 1 ATOM 252 C CB . PRO A 1 34 ? 14.913 -13.683 27.911 1.00 30.16 ? 374 PRO A CB 1 ATOM 253 C CG . PRO A 1 34 ? 14.683 -14.772 26.929 1.00 29.83 ? 374 PRO A CG 1 ATOM 254 C CD . PRO A 1 34 ? 13.680 -15.707 27.522 1.00 30.32 ? 374 PRO A CD 1 ATOM 255 N N . TYR A 1 35 ? 11.469 -13.047 27.462 1.00 26.62 ? 375 TYR A N 1 ATOM 256 C CA . TYR A 1 35 ? 10.575 -12.242 26.642 1.00 25.06 ? 375 TYR A CA 1 ATOM 257 C C . TYR A 1 35 ? 9.846 -11.140 27.343 1.00 24.74 ? 375 TYR A C 1 ATOM 258 O O . TYR A 1 35 ? 9.383 -10.162 26.738 1.00 22.98 ? 375 TYR A O 1 ATOM 259 C CB . TYR A 1 35 ? 9.561 -13.203 25.952 1.00 25.15 ? 375 TYR A CB 1 ATOM 260 C CG . TYR A 1 35 ? 10.351 -14.300 25.259 1.00 25.56 ? 375 TYR A CG 1 ATOM 261 C CD1 . TYR A 1 35 ? 10.233 -15.622 25.622 1.00 26.27 ? 375 TYR A CD1 1 ATOM 262 C CD2 . TYR A 1 35 ? 11.271 -13.959 24.281 1.00 25.54 ? 375 TYR A CD2 1 ATOM 263 C CE1 . TYR A 1 35 ? 10.990 -16.607 25.021 1.00 26.30 ? 375 TYR A CE1 1 ATOM 264 C CE2 . TYR A 1 35 ? 12.043 -14.932 23.680 1.00 26.28 ? 375 TYR A CE2 1 ATOM 265 C CZ . TYR A 1 35 ? 11.886 -16.249 24.042 1.00 27.44 ? 375 TYR A CZ 1 ATOM 266 O OH . TYR A 1 35 ? 12.642 -17.218 23.426 1.00 29.43 ? 375 TYR A OH 1 ATOM 267 N N . TYR A 1 36 ? 9.649 -11.286 28.659 1.00 22.52 ? 376 TYR A N 1 ATOM 268 C CA . TYR A 1 36 ? 8.919 -10.275 29.413 1.00 22.92 ? 376 TYR A CA 1 ATOM 269 C C . TYR A 1 36 ? 9.688 -9.906 30.684 1.00 23.60 ? 376 TYR A C 1 ATOM 270 O O . TYR A 1 36 ? 10.539 -10.695 31.109 1.00 24.49 ? 376 TYR A O 1 ATOM 271 C CB . TYR A 1 36 ? 7.569 -10.873 29.855 1.00 21.57 ? 376 TYR A CB 1 ATOM 272 C CG . TYR A 1 36 ? 6.585 -11.107 28.729 1.00 22.34 ? 376 TYR A CG 1 ATOM 273 C CD1 . TYR A 1 36 ? 6.595 -12.298 28.023 1.00 23.30 ? 376 TYR A CD1 1 ATOM 274 C CD2 . TYR A 1 36 ? 5.665 -10.134 28.378 1.00 23.32 ? 376 TYR A CD2 1 ATOM 275 C CE1 . TYR A 1 36 ? 5.704 -12.509 26.980 1.00 23.37 ? 376 TYR A CE1 1 ATOM 276 C CE2 . TYR A 1 36 ? 4.760 -10.334 27.343 1.00 23.33 ? 376 TYR A CE2 1 ATOM 277 C CZ . TYR A 1 36 ? 4.805 -11.520 26.650 1.00 23.06 ? 376 TYR A CZ 1 ATOM 278 O OH . TYR A 1 36 ? 3.907 -11.741 25.630 1.00 25.04 ? 376 TYR A OH 1 ATOM 279 N N . TYR A 1 37 ? 9.395 -8.746 31.226 1.00 24.01 ? 377 TYR A N 1 ATOM 280 C CA . TYR A 1 37 ? 10.017 -8.321 32.482 1.00 24.57 ? 377 TYR A CA 1 ATOM 281 C C . TYR A 1 37 ? 8.916 -7.706 33.330 1.00 25.25 ? 377 TYR A C 1 ATOM 282 O O . TYR A 1 37 ? 7.854 -7.336 32.835 1.00 22.63 ? 377 TYR A O 1 ATOM 283 C CB . TYR A 1 37 ? 11.205 -7.397 32.326 1.00 25.77 ? 377 TYR A CB 1 ATOM 284 C CG . TYR A 1 37 ? 10.829 -6.003 31.884 1.00 28.69 ? 377 TYR A CG 1 ATOM 285 C CD1 . TYR A 1 37 ? 10.645 -4.970 32.783 1.00 30.15 ? 377 TYR A CD1 1 ATOM 286 C CD2 . TYR A 1 37 ? 10.629 -5.739 30.538 1.00 28.80 ? 377 TYR A CD2 1 ATOM 287 C CE1 . TYR A 1 37 ? 10.279 -3.708 32.363 1.00 31.99 ? 377 TYR A CE1 1 ATOM 288 C CE2 . TYR A 1 37 ? 10.283 -4.475 30.111 1.00 30.18 ? 377 TYR A CE2 1 ATOM 289 C CZ . TYR A 1 37 ? 10.113 -3.466 31.019 1.00 31.85 ? 377 TYR A CZ 1 ATOM 290 O OH . TYR A 1 37 ? 9.729 -2.219 30.590 1.00 33.58 ? 377 TYR A OH 1 ATOM 291 N N . MET A 1 38 ? 9.162 -7.608 34.633 1.00 25.52 ? 378 MET A N 1 ATOM 292 C CA . MET A 1 38 ? 8.162 -7.062 35.524 1.00 28.01 ? 378 MET A CA 1 ATOM 293 C C . MET A 1 38 ? 8.147 -5.545 35.564 1.00 29.66 ? 378 MET A C 1 ATOM 294 O O . MET A 1 38 ? 9.152 -4.888 35.817 1.00 29.49 ? 378 MET A O 1 ATOM 295 C CB . MET A 1 38 ? 8.355 -7.649 36.918 1.00 28.11 ? 378 MET A CB 1 ATOM 296 C CG . MET A 1 38 ? 7.173 -7.337 37.823 1.00 31.37 ? 378 MET A CG 1 ATOM 297 S SD . MET A 1 38 ? 7.323 -8.273 39.358 1.00 32.00 ? 378 MET A SD 1 ATOM 298 C CE . MET A 1 38 ? 6.946 -9.923 38.785 1.00 30.47 ? 378 MET A CE 1 ATOM 299 N N . GLU A 1 39 ? 6.983 -4.970 35.286 1.00 32.67 ? 379 GLU A N 1 ATOM 300 C CA . GLU A 1 39 ? 6.819 -3.524 35.266 1.00 36.16 ? 379 GLU A CA 1 ATOM 301 C C . GLU A 1 39 ? 6.984 -2.923 36.658 1.00 37.13 ? 379 GLU A C 1 ATOM 302 O O . GLU A 1 39 ? 7.767 -1.938 36.731 1.00 38.68 ? 379 GLU A O 1 ATOM 303 C CB . GLU A 1 39 ? 5.451 -3.170 34.691 1.00 39.12 ? 379 GLU A CB 1 ATOM 304 C CG . GLU A 1 39 ? 5.208 -1.677 34.521 1.00 43.21 ? 379 GLU A CG 1 ATOM 305 C CD . GLU A 1 39 ? 3.743 -1.422 34.187 1.00 45.90 ? 379 GLU A CD 1 ATOM 306 O OE1 . GLU A 1 39 ? 3.437 -1.301 32.988 1.00 46.69 ? 379 GLU A OE1 1 ATOM 307 O OE2 . GLU A 1 39 ? 2.934 -1.385 35.127 1.00 46.36 ? 379 GLU A OE2 1 ATOM 308 N N . GLY A 1 42 ? 8.693 -3.525 42.697 1.00 45.64 ? 382 GLY A N 1 ATOM 309 C CA . GLY A 1 42 ? 8.409 -4.793 43.379 1.00 44.20 ? 382 GLY A CA 1 ATOM 310 C C . GLY A 1 42 ? 9.636 -5.656 43.631 1.00 43.30 ? 382 GLY A C 1 ATOM 311 O O . GLY A 1 42 ? 10.579 -5.305 44.329 1.00 45.57 ? 382 GLY A O 1 ATOM 312 N N . GLY A 1 43 ? 9.615 -6.822 43.048 1.00 40.36 ? 383 GLY A N 1 ATOM 313 C CA . GLY A 1 43 ? 10.568 -7.917 43.128 1.00 35.57 ? 383 GLY A CA 1 ATOM 314 C C . GLY A 1 43 ? 9.661 -9.175 42.968 1.00 31.88 ? 383 GLY A C 1 ATOM 315 O O . GLY A 1 43 ? 10.059 -10.314 42.908 1.00 33.25 ? 383 GLY A O 1 ATOM 316 N N . GLY A 1 44 ? 8.372 -8.854 42.918 1.00 27.26 ? 384 GLY A N 1 ATOM 317 C CA . GLY A 1 44 ? 7.297 -9.781 42.752 1.00 24.59 ? 384 GLY A CA 1 ATOM 318 C C . GLY A 1 44 ? 6.952 -10.616 43.965 1.00 22.62 ? 384 GLY A C 1 ATOM 319 O O . GLY A 1 44 ? 6.190 -11.574 43.812 1.00 20.65 ? 384 GLY A O 1 ATOM 320 N N . GLU A 1 45 ? 7.462 -10.233 45.132 1.00 20.20 ? 385 GLU A N 1 ATOM 321 C CA . GLU A 1 45 ? 7.165 -11.034 46.327 1.00 19.55 ? 385 GLU A CA 1 ATOM 322 C C . GLU A 1 45 ? 5.993 -10.489 47.095 1.00 17.72 ? 385 GLU A C 1 ATOM 323 O O . GLU A 1 45 ? 5.794 -9.280 47.265 1.00 17.73 ? 385 GLU A O 1 ATOM 324 C CB . GLU A 1 45 ? 8.424 -11.101 47.194 1.00 21.11 ? 385 GLU A CB 1 ATOM 325 C CG . GLU A 1 45 ? 9.666 -11.612 46.567 0.00 36.17 ? 385 GLU A CG 1 ATOM 326 C CD . GLU A 1 45 ? 10.595 -10.509 46.118 0.00 41.72 ? 385 GLU A CD 1 ATOM 327 O OE1 . GLU A 1 45 ? 10.317 -9.322 46.413 0.00 45.03 ? 385 GLU A OE1 1 ATOM 328 O OE2 . GLU A 1 45 ? 11.601 -10.816 45.444 0.00 45.39 ? 385 GLU A OE2 1 ATOM 329 N N . TYR A 1 46 ? 5.097 -11.383 47.505 1.00 15.65 ? 386 TYR A N 1 ATOM 330 C CA . TYR A 1 46 ? 3.912 -11.066 48.235 1.00 15.04 ? 386 TYR A CA 1 ATOM 331 C C . TYR A 1 46 ? 3.887 -11.937 49.511 1.00 15.51 ? 386 TYR A C 1 ATOM 332 O O . TYR A 1 46 ? 4.329 -13.082 49.450 1.00 15.43 ? 386 TYR A O 1 ATOM 333 C CB . TYR A 1 46 ? 2.632 -11.396 47.437 1.00 14.68 ? 386 TYR A CB 1 ATOM 334 C CG . TYR A 1 46 ? 2.393 -10.474 46.248 1.00 13.87 ? 386 TYR A CG 1 ATOM 335 C CD1 . TYR A 1 46 ? 3.260 -10.465 45.186 1.00 16.28 ? 386 TYR A CD1 1 ATOM 336 C CD2 . TYR A 1 46 ? 1.271 -9.665 46.202 1.00 15.09 ? 386 TYR A CD2 1 ATOM 337 C CE1 . TYR A 1 46 ? 3.043 -9.605 44.123 1.00 16.66 ? 386 TYR A CE1 1 ATOM 338 C CE2 . TYR A 1 46 ? 1.031 -8.800 45.146 1.00 16.90 ? 386 TYR A CE2 1 ATOM 339 C CZ . TYR A 1 46 ? 1.934 -8.804 44.105 1.00 18.42 ? 386 TYR A CZ 1 ATOM 340 O OH . TYR A 1 46 ? 1.719 -7.945 43.046 1.00 18.90 ? 386 TYR A OH 1 ATOM 341 N N . HIS A 1 47 ? 3.377 -11.356 50.591 1.00 16.06 ? 387 HIS A N 1 ATOM 342 C CA . HIS A 1 47 ? 3.225 -12.181 51.794 1.00 14.59 ? 387 HIS A CA 1 ATOM 343 C C . HIS A 1 47 ? 1.723 -12.297 52.075 1.00 14.31 ? 387 HIS A C 1 ATOM 344 O O . HIS A 1 47 ? 0.934 -11.436 51.689 1.00 14.13 ? 387 HIS A O 1 ATOM 345 C CB . HIS A 1 47 ? 3.964 -11.637 53.014 1.00 16.97 ? 387 HIS A CB 1 ATOM 346 C CG . HIS A 1 47 ? 3.410 -10.383 53.592 1.00 19.55 ? 387 HIS A CG 1 ATOM 347 N ND1 . HIS A 1 47 ? 3.877 -9.145 53.239 1.00 19.60 ? 387 HIS A ND1 1 ATOM 348 C CD2 . HIS A 1 47 ? 2.443 -10.164 54.513 1.00 19.64 ? 387 HIS A CD2 1 ATOM 349 C CE1 . HIS A 1 47 ? 3.210 -8.203 53.880 1.00 21.38 ? 387 HIS A CE1 1 ATOM 350 N NE2 . HIS A 1 47 ? 2.323 -8.798 54.652 1.00 20.66 ? 387 HIS A NE2 1 ATOM 351 N N . CYS A 1 48 ? 1.339 -13.367 52.779 1.00 13.66 ? 388 CYS A N 1 ATOM 352 C CA . CYS A 1 48 ? -0.068 -13.565 53.124 1.00 14.87 ? 388 CYS A CA 1 ATOM 353 C C . CYS A 1 48 ? -0.325 -12.754 54.392 1.00 16.70 ? 388 CYS A C 1 ATOM 354 O O . CYS A 1 48 ? 0.234 -13.038 55.443 1.00 15.73 ? 388 CYS A O 1 ATOM 355 C CB . CYS A 1 48 ? -0.377 -15.039 53.308 1.00 16.71 ? 388 CYS A CB 1 ATOM 356 S SG . CYS A 1 48 ? -2.056 -15.349 53.894 1.00 17.59 ? 388 CYS A SG 1 ATOM 357 N N . ALA A 1 49 ? -1.086 -11.691 54.236 1.00 17.56 ? 389 ALA A N 1 ATOM 358 C CA . ALA A 1 49 ? -1.339 -10.752 55.310 1.00 17.94 ? 389 ALA A CA 1 ATOM 359 C C . ALA A 1 49 ? -2.478 -11.172 56.202 1.00 20.75 ? 389 ALA A C 1 ATOM 360 O O . ALA A 1 49 ? -3.306 -12.025 55.887 1.00 20.20 ? 389 ALA A O 1 ATOM 361 C CB . ALA A 1 49 ? -1.617 -9.381 54.680 1.00 17.63 ? 389 ALA A CB 1 ATOM 362 N N . GLY A 1 50 ? -2.555 -10.515 57.356 1.00 22.12 ? 390 GLY A N 1 ATOM 363 C CA . GLY A 1 50 ? -3.585 -10.794 58.328 1.00 23.92 ? 390 GLY A CA 1 ATOM 364 C C . GLY A 1 50 ? -4.981 -10.418 57.891 1.00 25.60 ? 390 GLY A C 1 ATOM 365 O O . GLY A 1 50 ? -5.953 -10.831 58.528 1.00 27.22 ? 390 GLY A O 1 ATOM 366 N N . ASN A 1 51 ? -5.151 -9.659 56.809 1.00 25.01 ? 391 ASN A N 1 ATOM 367 C CA . ASN A 1 51 ? -6.491 -9.321 56.336 1.00 24.71 ? 391 ASN A CA 1 ATOM 368 C C . ASN A 1 51 ? -6.912 -10.283 55.231 1.00 25.56 ? 391 ASN A C 1 ATOM 369 O O . ASN A 1 51 ? -7.963 -10.116 54.621 1.00 26.63 ? 391 ASN A O 1 ATOM 370 C CB . ASN A 1 51 ? -6.605 -7.873 55.917 1.00 24.73 ? 391 ASN A CB 1 ATOM 371 C CG . ASN A 1 51 ? -5.702 -7.517 54.756 1.00 25.02 ? 391 ASN A CG 1 ATOM 372 O OD1 . ASN A 1 51 ? -4.996 -8.393 54.251 1.00 23.32 ? 391 ASN A OD1 1 ATOM 373 N ND2 . ASN A 1 51 ? -5.730 -6.257 54.375 1.00 24.32 ? 391 ASN A ND2 1 ATOM 374 N N . GLY A 1 52 ? -6.098 -11.310 54.972 1.00 23.40 ? 392 GLY A N 1 ATOM 375 C CA . GLY A 1 52 ? -6.424 -12.321 54.002 1.00 23.50 ? 392 GLY A CA 1 ATOM 376 C C . GLY A 1 52 ? -5.977 -12.040 52.592 1.00 22.04 ? 392 GLY A C 1 ATOM 377 O O . GLY A 1 52 ? -6.234 -12.884 51.711 1.00 22.95 ? 392 GLY A O 1 ATOM 378 N N . SER A 1 53 ? -5.300 -10.934 52.363 1.00 20.71 ? 393 SER A N 1 ATOM 379 C CA . SER A 1 53 ? -4.829 -10.655 51.009 1.00 19.56 ? 393 SER A CA 1 ATOM 380 C C . SER A 1 53 ? -3.343 -10.973 50.869 1.00 19.42 ? 393 SER A C 1 ATOM 381 O O . SER A 1 53 ? -2.567 -10.830 51.800 1.00 16.59 ? 393 SER A O 1 ATOM 382 C CB . SER A 1 53 ? -4.935 -9.134 50.744 1.00 20.42 ? 393 SER A CB 1 ATOM 383 O OG . SER A 1 53 ? -6.284 -8.736 50.596 1.00 23.46 ? 393 SER A OG 1 ATOM 384 N N . TRP A 1 54 ? -2.977 -11.343 49.639 1.00 16.71 ? 394 TRP A N 1 ATOM 385 C CA . TRP A 1 54 ? -1.545 -11.479 49.322 1.00 15.78 ? 394 TRP A CA 1 ATOM 386 C C . TRP A 1 54 ? -1.118 -10.035 49.021 1.00 16.28 ? 394 TRP A C 1 ATOM 387 O O . TRP A 1 54 ? -1.776 -9.338 48.227 1.00 16.05 ? 394 TRP A O 1 ATOM 388 C CB . TRP A 1 54 ? -1.352 -12.304 48.072 1.00 15.04 ? 394 TRP A CB 1 ATOM 389 C CG . TRP A 1 54 ? -1.573 -13.766 48.248 1.00 14.85 ? 394 TRP A CG 1 ATOM 390 C CD1 . TRP A 1 54 ? -2.645 -14.504 47.838 1.00 15.37 ? 394 TRP A CD1 1 ATOM 391 C CD2 . TRP A 1 54 ? -0.674 -14.670 48.901 1.00 14.13 ? 394 TRP A CD2 1 ATOM 392 N NE1 . TRP A 1 54 ? -2.460 -15.821 48.163 1.00 16.35 ? 394 TRP A NE1 1 ATOM 393 C CE2 . TRP A 1 54 ? -1.257 -15.954 48.821 1.00 16.68 ? 394 TRP A CE2 1 ATOM 394 C CE3 . TRP A 1 54 ? 0.577 -14.534 49.516 1.00 15.38 ? 394 TRP A CE3 1 ATOM 395 C CZ2 . TRP A 1 54 ? -0.659 -17.081 49.363 1.00 16.14 ? 394 TRP A CZ2 1 ATOM 396 C CZ3 . TRP A 1 54 ? 1.176 -15.658 50.043 1.00 16.51 ? 394 TRP A CZ3 1 ATOM 397 C CH2 . TRP A 1 54 ? 0.560 -16.918 49.956 1.00 18.00 ? 394 TRP A CH2 1 ATOM 398 N N . VAL A 1 55 ? -0.100 -9.528 49.699 1.00 15.09 ? 395 VAL A N 1 ATOM 399 C CA . VAL A 1 55 ? 0.290 -8.133 49.587 1.00 15.49 ? 395 VAL A CA 1 ATOM 400 C C . VAL A 1 55 ? 1.756 -7.940 49.274 1.00 15.76 ? 395 VAL A C 1 ATOM 401 O O . VAL A 1 55 ? 2.636 -8.592 49.815 1.00 14.39 ? 395 VAL A O 1 ATOM 402 C CB A VAL A 1 55 ? 0.007 -7.427 50.946 0.60 16.22 ? 395 VAL A CB 1 ATOM 403 C CB B VAL A 1 55 ? -0.063 -7.335 50.854 0.40 15.26 ? 395 VAL A CB 1 ATOM 404 C CG1 A VAL A 1 55 ? 0.408 -5.962 50.926 0.60 17.01 ? 395 VAL A CG1 1 ATOM 405 C CG1 B VAL A 1 55 ? -1.559 -7.127 50.953 0.40 14.39 ? 395 VAL A CG1 1 ATOM 406 C CG2 A VAL A 1 55 ? -1.454 -7.569 51.321 0.60 15.54 ? 395 VAL A CG2 1 ATOM 407 C CG2 B VAL A 1 55 ? 0.499 -8.043 52.063 0.40 14.38 ? 395 VAL A CG2 1 ATOM 408 N N . ASN A 1 56 ? 2.011 -6.995 48.371 1.00 16.29 ? 396 ASN A N 1 ATOM 409 C CA . ASN A 1 56 ? 3.353 -6.647 47.931 1.00 17.55 ? 396 ASN A CA 1 ATOM 410 C C . ASN A 1 56 ? 3.697 -5.237 48.399 1.00 19.45 ? 396 ASN A C 1 ATOM 411 O O . ASN A 1 56 ? 2.799 -4.396 48.507 1.00 20.64 ? 396 ASN A O 1 ATOM 412 C CB . ASN A 1 56 ? 3.374 -6.712 46.397 1.00 18.13 ? 396 ASN A CB 1 ATOM 413 C CG . ASN A 1 56 ? 4.637 -6.167 45.787 1.00 20.26 ? 396 ASN A CG 1 ATOM 414 O OD1 . ASN A 1 56 ? 4.694 -4.980 45.469 1.00 22.54 ? 396 ASN A OD1 1 ATOM 415 N ND2 . ASN A 1 56 ? 5.658 -6.996 45.621 1.00 20.96 ? 396 ASN A ND2 1 ATOM 416 N N . GLU A 1 57 ? 4.950 -4.952 48.687 1.00 21.62 ? 397 GLU A N 1 ATOM 417 C CA . GLU A 1 57 ? 5.326 -3.646 49.207 1.00 25.05 ? 397 GLU A CA 1 ATOM 418 C C . GLU A 1 57 ? 4.970 -2.471 48.319 1.00 26.69 ? 397 GLU A C 1 ATOM 419 O O . GLU A 1 57 ? 4.575 -1.406 48.789 1.00 27.69 ? 397 GLU A O 1 ATOM 420 C CB . GLU A 1 57 ? 6.827 -3.615 49.529 1.00 26.85 ? 397 GLU A CB 1 ATOM 421 C CG . GLU A 1 57 ? 7.184 -2.463 50.472 1.00 31.18 ? 397 GLU A CG 1 ATOM 422 C CD . GLU A 1 57 ? 8.796 -2.379 50.550 0.00 35.66 ? 397 GLU A CD 1 ATOM 423 O OE1 . GLU A 1 57 ? 9.293 -2.944 51.479 0.00 45.52 ? 397 GLU A OE1 1 ATOM 424 O OE2 . GLU A 1 57 ? 9.502 -1.711 49.755 0.00 37.68 ? 397 GLU A OE2 1 ATOM 425 N N . VAL A 1 58 ? 5.122 -2.644 47.024 1.00 27.05 ? 398 VAL A N 1 ATOM 426 C CA . VAL A 1 58 ? 4.863 -1.571 46.074 1.00 28.49 ? 398 VAL A CA 1 ATOM 427 C C . VAL A 1 58 ? 3.467 -1.590 45.498 1.00 28.25 ? 398 VAL A C 1 ATOM 428 O O . VAL A 1 58 ? 2.858 -0.522 45.320 1.00 30.11 ? 398 VAL A O 1 ATOM 429 C CB . VAL A 1 58 ? 5.913 -1.657 44.951 1.00 30.82 ? 398 VAL A CB 1 ATOM 430 C CG1 . VAL A 1 58 ? 5.555 -0.758 43.790 1.00 32.36 ? 398 VAL A CG1 1 ATOM 431 C CG2 . VAL A 1 58 ? 7.289 -1.301 45.516 1.00 32.30 ? 398 VAL A CG2 1 ATOM 432 N N . LEU A 1 59 ? 2.926 -2.760 45.195 1.00 25.52 ? 399 LEU A N 1 ATOM 433 C CA . LEU A 1 59 ? 1.615 -2.868 44.582 1.00 26.04 ? 399 LEU A CA 1 ATOM 434 C C . LEU A 1 59 ? 0.463 -3.152 45.501 1.00 24.62 ? 399 LEU A C 1 ATOM 435 O O . LEU A 1 59 ? -0.694 -3.161 45.052 1.00 24.89 ? 399 LEU A O 1 ATOM 436 C CB . LEU A 1 59 ? 1.683 -3.996 43.527 1.00 26.42 ? 399 LEU A CB 1 ATOM 437 C CG . LEU A 1 59 ? 2.719 -3.801 42.431 1.00 29.35 ? 399 LEU A CG 1 ATOM 438 C CD1 . LEU A 1 59 ? 2.745 -5.018 41.521 1.00 27.71 ? 399 LEU A CD1 1 ATOM 439 C CD2 . LEU A 1 59 ? 2.411 -2.538 41.637 1.00 29.53 ? 399 LEU A CD2 1 ATOM 440 N N . GLY A 1 60 ? 0.729 -3.440 46.771 1.00 23.66 ? 400 GLY A N 1 ATOM 441 C CA . GLY A 1 60 ? -0.407 -3.770 47.652 1.00 22.14 ? 400 GLY A CA 1 ATOM 442 C C . GLY A 1 60 ? -0.932 -5.136 47.182 1.00 20.87 ? 400 GLY A C 1 ATOM 443 O O . GLY A 1 60 ? -0.142 -6.008 46.846 1.00 19.20 ? 400 GLY A O 1 ATOM 444 N N . PRO A 1 61 ? -2.239 -5.278 47.098 1.00 21.18 ? 401 PRO A N 1 ATOM 445 C CA . PRO A 1 61 ? -2.867 -6.501 46.654 1.00 21.70 ? 401 PRO A CA 1 ATOM 446 C C . PRO A 1 61 ? -2.917 -6.621 45.138 1.00 21.91 ? 401 PRO A C 1 ATOM 447 O O . PRO A 1 61 ? -3.281 -7.685 44.652 1.00 22.26 ? 401 PRO A O 1 ATOM 448 C CB . PRO A 1 61 ? -4.290 -6.378 47.187 1.00 23.40 ? 401 PRO A CB 1 ATOM 449 C CG . PRO A 1 61 ? -4.557 -4.905 47.149 1.00 23.19 ? 401 PRO A CG 1 ATOM 450 C CD . PRO A 1 61 ? -3.240 -4.255 47.473 1.00 23.11 ? 401 PRO A CD 1 ATOM 451 N N . GLU A 1 62 ? -2.590 -5.564 44.417 1.00 22.11 ? 402 GLU A N 1 ATOM 452 C CA . GLU A 1 62 ? -2.631 -5.663 42.955 1.00 23.15 ? 402 GLU A CA 1 ATOM 453 C C . GLU A 1 62 ? -1.550 -6.605 42.447 1.00 23.19 ? 402 GLU A C 1 ATOM 454 O O . GLU A 1 62 ? -0.460 -6.674 43.024 1.00 21.29 ? 402 GLU A O 1 ATOM 455 C CB . GLU A 1 62 ? -2.434 -4.266 42.356 1.00 26.06 ? 402 GLU A CB 1 ATOM 456 C CG . GLU A 1 62 ? -3.445 -3.245 42.842 1.00 30.93 ? 402 GLU A CG 1 ATOM 457 C CD . GLU A 1 62 ? -4.871 -3.599 42.456 0.50 31.92 ? 402 GLU A CD 1 ATOM 458 O OE1 . GLU A 1 62 ? -5.221 -3.163 41.380 0.00 38.16 ? 402 GLU A OE1 1 ATOM 459 O OE2 . GLU A 1 62 ? -5.576 -4.198 43.288 0.50 33.91 ? 402 GLU A OE2 1 ATOM 460 N N . LEU A 1 63 ? -1.821 -7.294 41.344 1.00 23.33 ? 403 LEU A N 1 ATOM 461 C CA . LEU A 1 63 ? -0.842 -8.224 40.784 1.00 23.59 ? 403 LEU A CA 1 ATOM 462 C C . LEU A 1 63 ? 0.112 -7.503 39.851 1.00 23.51 ? 403 LEU A C 1 ATOM 463 O O . LEU A 1 63 ? -0.209 -6.420 39.364 1.00 23.29 ? 403 LEU A O 1 ATOM 464 C CB . LEU A 1 63 ? -1.546 -9.375 40.075 1.00 26.83 ? 403 LEU A CB 1 ATOM 465 C CG . LEU A 1 63 ? -2.683 -10.049 40.841 1.00 30.16 ? 403 LEU A CG 1 ATOM 466 C CD1 . LEU A 1 63 ? -3.407 -11.067 39.981 1.00 32.45 ? 403 LEU A CD1 1 ATOM 467 C CD2 . LEU A 1 63 ? -2.141 -10.697 42.102 1.00 32.20 ? 403 LEU A CD2 1 ATOM 468 N N . PRO A 1 64 ? 1.293 -8.054 39.651 1.00 22.43 ? 404 PRO A N 1 ATOM 469 C CA . PRO A 1 64 ? 2.304 -7.462 38.819 1.00 23.47 ? 404 PRO A CA 1 ATOM 470 C C . PRO A 1 64 ? 1.881 -7.523 37.346 1.00 23.66 ? 404 PRO A C 1 ATOM 471 O O . PRO A 1 64 ? 1.010 -8.297 37.001 1.00 22.15 ? 404 PRO A O 1 ATOM 472 C CB . PRO A 1 64 ? 3.543 -8.322 39.005 1.00 23.82 ? 404 PRO A CB 1 ATOM 473 C CG . PRO A 1 64 ? 3.261 -9.214 40.152 1.00 23.47 ? 404 PRO A CG 1 ATOM 474 C CD . PRO A 1 64 ? 1.759 -9.350 40.213 1.00 23.72 ? 404 PRO A CD 1 ATOM 475 N N . LYS A 1 65 ? 2.558 -6.699 36.578 1.00 24.22 ? 405 LYS A N 1 ATOM 476 C CA . LYS A 1 65 ? 2.298 -6.640 35.135 1.00 25.64 ? 405 LYS A CA 1 ATOM 477 C C . LYS A 1 65 ? 3.575 -7.053 34.418 1.00 24.99 ? 405 LYS A C 1 ATOM 478 O O . LYS A 1 65 ? 4.642 -6.525 34.737 1.00 25.28 ? 405 LYS A O 1 ATOM 479 C CB . LYS A 1 65 ? 1.940 -5.196 34.755 1.00 27.08 ? 405 LYS A CB 1 ATOM 480 C CG . LYS A 1 65 ? 1.621 -5.025 33.277 1.00 31.42 ? 405 LYS A CG 1 ATOM 481 C CD . LYS A 1 65 ? 0.267 -5.507 33.008 0.00 38.79 ? 405 LYS A CD 1 ATOM 482 C CE . LYS A 1 65 ? -0.385 -4.702 31.892 0.00 41.05 ? 405 LYS A CE 1 ATOM 483 N NZ . LYS A 1 65 ? -1.789 -5.158 31.678 0.00 42.54 ? 405 LYS A NZ 1 ATOM 484 N N . CYS A 1 66 ? 3.462 -7.994 33.496 1.00 24.63 ? 406 CYS A N 1 ATOM 485 C CA . CYS A 1 66 ? 4.641 -8.439 32.749 1.00 25.45 ? 406 CYS A CA 1 ATOM 486 C C . CYS A 1 66 ? 4.613 -7.706 31.410 1.00 24.53 ? 406 CYS A C 1 ATOM 487 O O . CYS A 1 66 ? 3.572 -7.696 30.766 1.00 24.06 ? 406 CYS A O 1 ATOM 488 C CB . CYS A 1 66 ? 4.648 -9.945 32.564 1.00 27.50 ? 406 CYS A CB 1 ATOM 489 S SG . CYS A 1 66 ? 4.874 -10.831 34.143 1.00 32.01 ? 406 CYS A SG 1 ATOM 490 N N . VAL A 1 67 ? 5.702 -7.024 31.103 1.00 23.49 ? 407 VAL A N 1 ATOM 491 C CA . VAL A 1 67 ? 5.696 -6.255 29.839 1.00 24.80 ? 407 VAL A CA 1 ATOM 492 C C . VAL A 1 67 ? 6.798 -6.773 28.960 1.00 22.29 ? 407 VAL A C 1 ATOM 493 O O . VAL A 1 67 ? 7.827 -7.299 29.398 1.00 21.52 ? 407 VAL A O 1 ATOM 494 C CB . VAL A 1 67 ? 5.837 -4.761 30.138 1.00 27.81 ? 407 VAL A CB 1 ATOM 495 C CG1 . VAL A 1 67 ? 4.636 -4.226 30.916 1.00 30.73 ? 407 VAL A CG1 1 ATOM 496 C CG2 . VAL A 1 67 ? 7.091 -4.504 30.944 1.00 28.75 ? 407 VAL A CG2 1 ATOM 497 N N . PRO A 1 68 ? 6.609 -6.684 27.640 1.00 22.61 ? 408 PRO A N 1 ATOM 498 C CA . PRO A 1 68 ? 7.599 -7.187 26.733 1.00 22.63 ? 408 PRO A CA 1 ATOM 499 C C . PRO A 1 68 ? 8.954 -6.512 26.820 1.00 21.08 ? 408 PRO A C 1 ATOM 500 O O . PRO A 1 68 ? 9.095 -5.295 26.983 1.00 21.30 ? 408 PRO A O 1 ATOM 501 C CB . PRO A 1 68 ? 6.998 -6.927 25.346 1.00 22.20 ? 408 PRO A CB 1 ATOM 502 C CG . PRO A 1 68 ? 5.575 -6.583 25.550 1.00 23.96 ? 408 PRO A CG 1 ATOM 503 C CD . PRO A 1 68 ? 5.413 -6.128 26.978 1.00 22.75 ? 408 PRO A CD 1 ATOM 504 N N . VAL A 1 69 ? 9.984 -7.334 26.664 1.00 21.90 ? 409 VAL A N 1 ATOM 505 C CA . VAL A 1 69 ? 11.361 -6.866 26.584 1.00 21.62 ? 409 VAL A CA 1 ATOM 506 C C . VAL A 1 69 ? 11.549 -6.468 25.104 1.00 21.92 ? 409 VAL A C 1 ATOM 507 O O . VAL A 1 69 ? 11.143 -7.256 24.256 1.00 21.62 ? 409 VAL A O 1 ATOM 508 C CB . VAL A 1 69 ? 12.347 -8.008 26.884 1.00 22.85 ? 409 VAL A CB 1 ATOM 509 C CG1 . VAL A 1 69 ? 13.773 -7.606 26.559 1.00 25.22 ? 409 VAL A CG1 1 ATOM 510 C CG2 . VAL A 1 69 ? 12.225 -8.370 28.363 1.00 24.93 ? 409 VAL A CG2 1 ATOM 511 N N . CYS A 1 70 ? 12.103 -5.301 24.872 1.00 21.24 ? 410 CYS A N 1 ATOM 512 C CA . CYS A 1 70 ? 12.255 -4.883 23.475 1.00 22.37 ? 410 CYS A CA 1 ATOM 513 C C . CYS A 1 70 ? 13.688 -4.829 23.007 1.00 23.22 ? 410 CYS A C 1 ATOM 514 O O . CYS A 1 70 ? 14.619 -4.536 23.747 1.00 24.27 ? 410 CYS A O 1 ATOM 515 C CB A CYS A 1 70 ? 11.680 -3.459 23.345 0.70 20.90 ? 410 CYS A CB 1 ATOM 516 C CB B CYS A 1 70 ? 11.585 -3.520 23.283 0.30 22.59 ? 410 CYS A CB 1 ATOM 517 S SG A CYS A 1 70 ? 9.958 -3.298 23.843 0.52 23.71 ? 410 CYS A SG 1 ATOM 518 S SG B CYS A 1 70 ? 12.144 -2.278 24.464 0.22 24.83 ? 410 CYS A SG 1 ATOM 519 N N . GLY A 1 71 ? 13.875 -5.060 21.711 1.00 22.61 ? 411 GLY A N 1 ATOM 520 C CA . GLY A 1 71 ? 15.106 -4.940 21.031 1.00 21.88 ? 411 GLY A CA 1 ATOM 521 C C . GLY A 1 71 ? 16.162 -5.997 21.116 1.00 22.20 ? 411 GLY A C 1 ATOM 522 O O . GLY A 1 71 ? 17.259 -5.763 20.591 1.00 22.59 ? 411 GLY A O 1 ATOM 523 N N . VAL A 1 72 ? 15.911 -7.133 21.740 1.00 22.94 ? 412 VAL A N 1 ATOM 524 C CA . VAL A 1 72 ? 16.932 -8.174 21.876 1.00 25.08 ? 412 VAL A CA 1 ATOM 525 C C . VAL A 1 72 ? 16.527 -9.456 21.171 1.00 27.29 ? 412 VAL A C 1 ATOM 526 O O . VAL A 1 72 ? 15.731 -10.242 21.687 1.00 29.60 ? 412 VAL A O 1 ATOM 527 C CB . VAL A 1 72 ? 17.158 -8.531 23.368 1.00 27.42 ? 412 VAL A CB 1 ATOM 528 C CG1 . VAL A 1 72 ? 18.311 -9.533 23.473 1.00 26.71 ? 412 VAL A CG1 1 ATOM 529 C CG2 . VAL A 1 72 ? 17.451 -7.290 24.181 1.00 28.21 ? 412 VAL A CG2 1 ATOM 530 N N . PRO A 1 73 ? 17.077 -9.700 20.004 1.00 27.25 ? 413 PRO A N 1 ATOM 531 C CA . PRO A 1 73 ? 16.779 -10.914 19.264 1.00 29.37 ? 413 PRO A CA 1 ATOM 532 C C . PRO A 1 73 ? 17.285 -12.142 20.016 1.00 31.43 ? 413 PRO A C 1 ATOM 533 O O . PRO A 1 73 ? 18.256 -12.067 20.760 1.00 30.95 ? 413 PRO A O 1 ATOM 534 C CB . PRO A 1 73 ? 17.520 -10.745 17.967 1.00 28.89 ? 413 PRO A CB 1 ATOM 535 C CG . PRO A 1 73 ? 18.046 -9.367 17.923 1.00 28.82 ? 413 PRO A CG 1 ATOM 536 C CD . PRO A 1 73 ? 18.056 -8.836 19.322 1.00 27.78 ? 413 PRO A CD 1 ATOM 537 N N . ARG A 1 74 ? 16.634 -13.274 19.803 1.00 34.33 ? 414 ARG A N 1 ATOM 538 C CA . ARG A 1 74 ? 17.006 -14.536 20.419 1.00 37.10 ? 414 ARG A CA 1 ATOM 539 C C . ARG A 1 74 ? 18.285 -15.079 19.800 1.00 37.46 ? 414 ARG A C 1 ATOM 540 O O . ARG A 1 74 ? 19.047 -15.792 20.441 1.00 38.65 ? 414 ARG A O 1 ATOM 541 C CB . ARG A 1 74 ? 15.878 -15.560 20.256 1.00 40.14 ? 414 ARG A CB 1 ATOM 542 C CG . ARG A 1 74 ? 16.037 -16.804 21.094 1.00 43.68 ? 414 ARG A CG 1 ATOM 543 C CD . ARG A 1 74 ? 15.437 -16.676 22.464 0.50 45.06 ? 414 ARG A CD 1 ATOM 544 N NE . ARG A 1 74 ? 15.287 -15.303 22.908 0.50 46.25 ? 414 ARG A NE 1 ATOM 545 C CZ . ARG A 1 74 ? 16.021 -14.699 23.825 0.50 46.51 ? 414 ARG A CZ 1 ATOM 546 N NH1 . ARG A 1 74 ? 16.997 -15.346 24.450 0.50 47.39 ? 414 ARG A NH1 1 ATOM 547 N NH2 . ARG A 1 74 ? 15.782 -13.436 24.142 0.50 46.78 ? 414 ARG A NH2 1 ATOM 548 N N . GLU A 1 75 ? 18.504 -14.764 18.541 1.00 37.37 ? 415 GLU A N 1 ATOM 549 C CA . GLU A 1 75 ? 19.673 -15.180 17.790 1.00 37.20 ? 415 GLU A CA 1 ATOM 550 C C . GLU A 1 75 ? 20.160 -13.990 16.959 1.00 36.93 ? 415 GLU A C 1 ATOM 551 O O . GLU A 1 75 ? 19.412 -13.445 16.155 1.00 35.26 ? 415 GLU A O 1 ATOM 552 C CB . GLU A 1 75 ? 19.346 -16.328 16.842 1.00 38.46 ? 415 GLU A CB 1 ATOM 553 C CG . GLU A 1 75 ? 18.964 -17.640 17.474 1.00 40.31 ? 415 GLU A CG 1 ATOM 554 C CD . GLU A 1 75 ? 18.770 -18.764 16.482 1.00 42.15 ? 415 GLU A CD 1 ATOM 555 O OE1 . GLU A 1 75 ? 17.547 -18.810 16.165 0.00 50.39 ? 415 GLU A OE1 1 ATOM 556 O OE2 . GLU A 1 75 ? 19.394 -19.809 16.798 0.00 50.63 ? 415 GLU A OE2 1 ATOM 557 N N . PRO A 1 76 ? 21.403 -13.592 17.158 1.00 37.47 ? 416 PRO A N 1 ATOM 558 C CA . PRO A 1 76 ? 22.002 -12.487 16.450 1.00 37.39 ? 416 PRO A CA 1 ATOM 559 C C . PRO A 1 76 ? 22.111 -12.735 14.963 1.00 36.85 ? 416 PRO A C 1 ATOM 560 O O . PRO A 1 76 ? 22.369 -13.861 14.544 1.00 36.91 ? 416 PRO A O 1 ATOM 561 C CB . PRO A 1 76 ? 23.411 -12.394 17.055 1.00 38.00 ? 416 PRO A CB 1 ATOM 562 C CG . PRO A 1 76 ? 23.690 -13.767 17.558 1.00 38.04 ? 416 PRO A CG 1 ATOM 563 C CD . PRO A 1 76 ? 22.362 -14.228 18.109 1.00 38.18 ? 416 PRO A CD 1 ATOM 564 N N . PHE A 1 77 ? 21.895 -11.689 14.167 1.00 36.22 ? 417 PHE A N 1 ATOM 565 C CA . PHE A 1 77 ? 22.021 -11.834 12.727 1.00 35.64 ? 417 PHE A CA 1 ATOM 566 C C . PHE A 1 77 ? 23.535 -11.775 12.397 1.00 35.72 ? 417 PHE A C 1 ATOM 567 O O . PHE A 1 77 ? 23.951 -12.799 11.817 1.00 37.48 ? 417 PHE A O 1 ATOM 568 C CB . PHE A 1 77 ? 21.309 -10.750 11.938 1.00 31.33 ? 417 PHE A CB 1 ATOM 569 C CG . PHE A 1 77 ? 21.549 -10.810 10.457 1.00 30.41 ? 417 PHE A CG 1 ATOM 570 C CD1 . PHE A 1 77 ? 21.047 -11.857 9.709 1.00 29.02 ? 417 PHE A CD1 1 ATOM 571 C CD2 . PHE A 1 77 ? 22.271 -9.817 9.834 1.00 30.00 ? 417 PHE A CD2 1 ATOM 572 C CE1 . PHE A 1 77 ? 21.263 -11.911 8.350 1.00 30.02 ? 417 PHE A CE1 1 ATOM 573 C CE2 . PHE A 1 77 ? 22.493 -9.864 8.477 1.00 31.59 ? 417 PHE A CE2 1 ATOM 574 C CZ . PHE A 1 77 ? 21.980 -10.913 7.739 1.00 29.87 ? 417 PHE A CZ 1 ATOM 575 N N . ILE A 1 83 ? 15.058 -6.984 -0.423 1.00 22.74 ? 423 ILE A N 1 ATOM 576 C CA . ILE A 1 83 ? 16.449 -6.594 -0.017 1.00 22.96 ? 423 ILE A CA 1 ATOM 577 C C . ILE A 1 83 ? 17.413 -7.047 -1.112 1.00 22.49 ? 423 ILE A C 1 ATOM 578 O O . ILE A 1 83 ? 17.426 -8.231 -1.433 1.00 21.41 ? 423 ILE A O 1 ATOM 579 C CB . ILE A 1 83 ? 16.877 -7.259 1.295 1.00 23.43 ? 423 ILE A CB 1 ATOM 580 C CG1 . ILE A 1 83 ? 15.909 -6.944 2.421 1.00 23.73 ? 423 ILE A CG1 1 ATOM 581 C CG2 . ILE A 1 83 ? 18.305 -6.866 1.674 1.00 24.14 ? 423 ILE A CG2 1 ATOM 582 C CD1 . ILE A 1 83 ? 15.981 -5.551 2.992 1.00 24.11 ? 423 ILE A CD1 1 ATOM 583 N N . ILE A 1 84 ? 18.164 -6.109 -1.636 1.00 23.53 ? 424 ILE A N 1 ATOM 584 C CA . ILE A 1 84 ? 19.137 -6.370 -2.679 1.00 25.62 ? 424 ILE A CA 1 ATOM 585 C C . ILE A 1 84 ? 20.501 -6.637 -2.020 1.00 25.77 ? 424 ILE A C 1 ATOM 586 O O . ILE A 1 84 ? 20.906 -5.871 -1.154 1.00 25.49 ? 424 ILE A O 1 ATOM 587 C CB . ILE A 1 84 ? 19.311 -5.135 -3.584 1.00 27.98 ? 424 ILE A CB 1 ATOM 588 C CG1 . ILE A 1 84 ? 17.982 -4.674 -4.173 1.00 29.99 ? 424 ILE A CG1 1 ATOM 589 C CG2 . ILE A 1 84 ? 20.325 -5.411 -4.680 1.00 30.94 ? 424 ILE A CG2 1 ATOM 590 C CD1 . ILE A 1 84 ? 17.282 -5.680 -5.052 1.00 30.52 ? 424 ILE A CD1 1 ATOM 591 N N . GLY A 1 85 ? 21.159 -7.705 -2.414 1.00 26.09 ? 425 GLY A N 1 ATOM 592 C CA . GLY A 1 85 ? 22.466 -8.055 -1.900 1.00 27.80 ? 425 GLY A CA 1 ATOM 593 C C . GLY A 1 85 ? 22.504 -8.472 -0.456 1.00 29.00 ? 425 GLY A C 1 ATOM 594 O O . GLY A 1 85 ? 23.562 -8.370 0.175 1.00 30.04 ? 425 GLY A O 1 ATOM 595 N N . GLY A 1 86 ? 21.392 -8.949 0.085 1.00 28.02 ? 426 GLY A N 1 ATOM 596 C CA . GLY A 1 86 ? 21.394 -9.354 1.486 1.00 29.47 ? 426 GLY A CA 1 ATOM 597 C C . GLY A 1 86 ? 21.560 -10.869 1.564 1.00 29.40 ? 426 GLY A C 1 ATOM 598 O O . GLY A 1 86 ? 21.882 -11.513 0.572 1.00 30.34 ? 426 GLY A O 1 ATOM 599 N N . SER A 1 87 ? 21.352 -11.421 2.740 1.00 27.37 ? 427 SER A N 1 ATOM 600 C CA . SER A 1 87 ? 21.457 -12.860 2.919 1.00 27.68 ? 427 SER A CA 1 ATOM 601 C C . SER A 1 87 ? 20.252 -13.380 3.677 1.00 26.36 ? 427 SER A C 1 ATOM 602 O O . SER A 1 87 ? 19.463 -12.599 4.208 1.00 23.76 ? 427 SER A O 1 ATOM 603 C CB . SER A 1 87 ? 22.769 -13.260 3.571 1.00 30.80 ? 427 SER A CB 1 ATOM 604 O OG . SER A 1 87 ? 23.176 -12.328 4.540 1.00 33.59 ? 427 SER A OG 1 ATOM 605 N N . ASP A 1 88 ? 20.098 -14.691 3.691 1.00 26.73 ? 428 ASP A N 1 ATOM 606 C CA . ASP A 1 88 ? 18.994 -15.326 4.374 1.00 27.23 ? 428 ASP A CA 1 ATOM 607 C C . ASP A 1 88 ? 19.042 -14.959 5.854 1.00 26.22 ? 428 ASP A C 1 ATOM 608 O O . ASP A 1 88 ? 20.109 -14.970 6.455 1.00 26.11 ? 428 ASP A O 1 ATOM 609 C CB . ASP A 1 88 ? 19.023 -16.842 4.228 1.00 32.15 ? 428 ASP A CB 1 ATOM 610 C CG . ASP A 1 88 ? 18.886 -17.300 2.799 1.00 36.94 ? 428 ASP A CG 1 ATOM 611 O OD1 . ASP A 1 88 ? 18.578 -16.469 1.925 1.00 40.92 ? 428 ASP A OD1 1 ATOM 612 O OD2 . ASP A 1 88 ? 19.089 -18.500 2.534 1.00 40.92 ? 428 ASP A OD2 1 ATOM 613 N N . ALA A 1 89 ? 17.886 -14.609 6.372 1.00 24.39 ? 429 ALA A N 1 ATOM 614 C CA . ALA A 1 89 ? 17.768 -14.268 7.781 1.00 24.82 ? 429 ALA A CA 1 ATOM 615 C C . ALA A 1 89 ? 16.653 -15.125 8.361 1.00 25.01 ? 429 ALA A C 1 ATOM 616 O O . ALA A 1 89 ? 15.752 -15.583 7.656 1.00 25.44 ? 429 ALA A O 1 ATOM 617 C CB . ALA A 1 89 ? 17.479 -12.788 7.954 1.00 24.84 ? 429 ALA A CB 1 ATOM 618 N N . ASP A 1 90 ? 16.728 -15.376 9.654 1.00 24.61 ? 430 ASP A N 1 ATOM 619 C CA . ASP A 1 90 ? 15.657 -16.169 10.280 1.00 22.86 ? 430 ASP A CA 1 ATOM 620 C C . ASP A 1 90 ? 14.792 -15.137 11.005 1.00 20.73 ? 430 ASP A C 1 ATOM 621 O O . ASP A 1 90 ? 15.343 -14.115 11.428 1.00 18.96 ? 430 ASP A O 1 ATOM 622 C CB . ASP A 1 90 ? 16.271 -17.130 11.290 1.00 28.47 ? 430 ASP A CB 1 ATOM 623 C CG . ASP A 1 90 ? 15.289 -18.146 11.817 1.00 32.72 ? 430 ASP A CG 1 ATOM 624 O OD1 . ASP A 1 90 ? 14.474 -17.836 12.703 1.00 33.16 ? 430 ASP A OD1 1 ATOM 625 O OD2 . ASP A 1 90 ? 15.334 -19.306 11.342 1.00 38.50 ? 430 ASP A OD2 1 ATOM 626 N N . ILE A 1 91 ? 13.518 -15.413 11.164 1.00 19.29 ? 431 ILE A N 1 ATOM 627 C CA . ILE A 1 91 ? 12.657 -14.485 11.899 1.00 19.45 ? 431 ILE A CA 1 ATOM 628 C C . ILE A 1 91 ? 13.180 -14.333 13.320 1.00 19.25 ? 431 ILE A C 1 ATOM 629 O O . ILE A 1 91 ? 13.025 -13.266 13.913 1.00 19.63 ? 431 ILE A O 1 ATOM 630 C CB . ILE A 1 91 ? 11.196 -14.903 11.855 1.00 19.32 ? 431 ILE A CB 1 ATOM 631 C CG1 . ILE A 1 91 ? 10.269 -13.800 12.366 1.00 18.75 ? 431 ILE A CG1 1 ATOM 632 C CG2 . ILE A 1 91 ? 10.969 -16.204 12.618 1.00 20.76 ? 431 ILE A CG2 1 ATOM 633 C CD1 . ILE A 1 91 ? 10.253 -12.563 11.484 1.00 18.41 ? 431 ILE A CD1 1 ATOM 634 N N . LYS A 1 92 ? 13.876 -15.331 13.873 1.00 20.34 ? 432 LYS A N 1 ATOM 635 C CA . LYS A 1 92 ? 14.463 -15.162 15.208 1.00 21.90 ? 432 LYS A CA 1 ATOM 636 C C . LYS A 1 92 ? 15.518 -14.080 15.254 1.00 21.48 ? 432 LYS A C 1 ATOM 637 O O . LYS A 1 92 ? 15.813 -13.525 16.331 1.00 22.74 ? 432 LYS A O 1 ATOM 638 C CB . LYS A 1 92 ? 15.066 -16.494 15.683 1.00 21.97 ? 432 LYS A CB 1 ATOM 639 C CG . LYS A 1 92 ? 13.993 -17.506 16.060 1.00 27.30 ? 432 LYS A CG 1 ATOM 640 C CD . LYS A 1 92 ? 14.646 -18.733 16.692 1.00 30.14 ? 432 LYS A CD 1 ATOM 641 C CE . LYS A 1 92 ? 13.595 -19.755 17.078 1.00 34.63 ? 432 LYS A CE 1 ATOM 642 N NZ . LYS A 1 92 ? 14.217 -21.091 17.337 1.00 38.88 ? 432 LYS A NZ 1 ATOM 643 N N . ASN A 1 93 ? 16.125 -13.702 14.129 1.00 19.74 ? 433 ASN A N 1 ATOM 644 C CA . ASN A 1 93 ? 17.098 -12.650 14.066 1.00 19.20 ? 433 ASN A CA 1 ATOM 645 C C . ASN A 1 93 ? 16.433 -11.270 14.068 1.00 16.41 ? 433 ASN A C 1 ATOM 646 O O . ASN A 1 93 ? 17.052 -10.277 14.411 1.00 18.37 ? 433 ASN A O 1 ATOM 647 C CB . ASN A 1 93 ? 17.931 -12.709 12.781 1.00 22.83 ? 433 ASN A CB 1 ATOM 648 C CG . ASN A 1 93 ? 18.681 -14.000 12.592 1.00 26.77 ? 433 ASN A CG 1 ATOM 649 O OD1 . ASN A 1 93 ? 19.125 -14.627 13.558 1.00 26.55 ? 433 ASN A OD1 1 ATOM 650 N ND2 . ASN A 1 93 ? 18.827 -14.406 11.341 1.00 23.77 ? 433 ASN A ND2 1 ATOM 651 N N . PHE A 1 94 ? 15.183 -11.199 13.579 1.00 15.65 ? 434 PHE A N 1 ATOM 652 C CA . PHE A 1 94 ? 14.431 -9.931 13.498 1.00 15.79 ? 434 PHE A CA 1 ATOM 653 C C . PHE A 1 94 ? 13.007 -10.188 13.941 1.00 15.60 ? 434 PHE A C 1 ATOM 654 O O . PHE A 1 94 ? 11.999 -10.160 13.227 1.00 14.36 ? 434 PHE A O 1 ATOM 655 C CB . PHE A 1 94 ? 14.365 -9.459 12.016 1.00 15.94 ? 434 PHE A CB 1 ATOM 656 C CG . PHE A 1 94 ? 15.728 -9.136 11.482 1.00 14.85 ? 434 PHE A CG 1 ATOM 657 C CD1 . PHE A 1 94 ? 16.453 -10.124 10.838 1.00 17.39 ? 434 PHE A CD1 1 ATOM 658 C CD2 . PHE A 1 94 ? 16.302 -7.899 11.660 1.00 16.05 ? 434 PHE A CD2 1 ATOM 659 C CE1 . PHE A 1 94 ? 17.740 -9.850 10.389 1.00 16.76 ? 434 PHE A CE1 1 ATOM 660 C CE2 . PHE A 1 94 ? 17.568 -7.617 11.194 1.00 17.17 ? 434 PHE A CE2 1 ATOM 661 C CZ . PHE A 1 94 ? 18.288 -8.605 10.555 1.00 17.06 ? 434 PHE A CZ 1 ATOM 662 N N . PRO A 1 95 ? 12.828 -10.529 15.225 1.00 14.94 ? 435 PRO A N 1 ATOM 663 C CA . PRO A 1 95 ? 11.554 -10.900 15.760 1.00 15.08 ? 435 PRO A CA 1 ATOM 664 C C . PRO A 1 95 ? 10.480 -9.851 15.772 1.00 13.94 ? 435 PRO A C 1 ATOM 665 O O . PRO A 1 95 ? 9.298 -10.175 15.963 1.00 16.77 ? 435 PRO A O 1 ATOM 666 C CB . PRO A 1 95 ? 11.902 -11.424 17.163 1.00 15.41 ? 435 PRO A CB 1 ATOM 667 C CG . PRO A 1 95 ? 13.118 -10.611 17.515 1.00 15.03 ? 435 PRO A CG 1 ATOM 668 C CD . PRO A 1 95 ? 13.929 -10.619 16.234 1.00 16.44 ? 435 PRO A CD 1 ATOM 669 N N . TRP A 1 96 ? 10.823 -8.602 15.538 1.00 13.54 ? 436 TRP A N 1 ATOM 670 C CA . TRP A 1 96 ? 9.965 -7.454 15.450 1.00 13.96 ? 436 TRP A CA 1 ATOM 671 C C . TRP A 1 96 ? 9.416 -7.271 14.017 1.00 14.24 ? 436 TRP A C 1 ATOM 672 O O . TRP A 1 96 ? 8.552 -6.427 13.833 1.00 14.54 ? 436 TRP A O 1 ATOM 673 C CB . TRP A 1 96 ? 10.727 -6.169 15.796 1.00 14.53 ? 436 TRP A CB 1 ATOM 674 C CG . TRP A 1 96 ? 12.041 -5.996 15.127 1.00 15.61 ? 436 TRP A CG 1 ATOM 675 C CD1 . TRP A 1 96 ? 12.260 -5.556 13.850 1.00 15.59 ? 436 TRP A CD1 1 ATOM 676 C CD2 . TRP A 1 96 ? 13.335 -6.280 15.679 1.00 16.79 ? 436 TRP A CD2 1 ATOM 677 N NE1 . TRP A 1 96 ? 13.613 -5.528 13.601 1.00 15.51 ? 436 TRP A NE1 1 ATOM 678 C CE2 . TRP A 1 96 ? 14.290 -5.976 14.705 1.00 17.86 ? 436 TRP A CE2 1 ATOM 679 C CE3 . TRP A 1 96 ? 13.753 -6.764 16.930 1.00 18.05 ? 436 TRP A CE3 1 ATOM 680 C CZ2 . TRP A 1 96 ? 15.656 -6.133 14.918 1.00 18.66 ? 436 TRP A CZ2 1 ATOM 681 C CZ3 . TRP A 1 96 ? 15.115 -6.912 17.140 1.00 19.82 ? 436 TRP A CZ3 1 ATOM 682 C CH2 . TRP A 1 96 ? 16.044 -6.598 16.151 1.00 20.29 ? 436 TRP A CH2 1 ATOM 683 N N . GLN A 1 97 ? 9.947 -8.064 13.099 1.00 13.36 ? 437 GLN A N 1 ATOM 684 C CA . GLN A 1 97 ? 9.485 -7.889 11.706 1.00 14.04 ? 437 GLN A CA 1 ATOM 685 C C . GLN A 1 97 ? 8.058 -8.327 11.531 1.00 14.15 ? 437 GLN A C 1 ATOM 686 O O . GLN A 1 97 ? 7.638 -9.392 11.988 1.00 16.03 ? 437 GLN A O 1 ATOM 687 C CB . GLN A 1 97 ? 10.446 -8.690 10.814 1.00 13.94 ? 437 GLN A CB 1 ATOM 688 C CG . GLN A 1 97 ? 10.079 -8.620 9.350 1.00 18.42 ? 437 GLN A CG 1 ATOM 689 C CD . GLN A 1 97 ? 10.341 -7.258 8.757 1.00 20.37 ? 437 GLN A CD 1 ATOM 690 O OE1 . GLN A 1 97 ? 9.479 -6.695 8.062 1.00 25.46 ? 437 GLN A OE1 1 ATOM 691 N NE2 . GLN A 1 97 ? 11.505 -6.689 9.028 1.00 18.56 ? 437 GLN A NE2 1 ATOM 692 N N . VAL A 1 98 ? 7.254 -7.520 10.862 1.00 11.72 ? 438 VAL A N 1 ATOM 693 C CA . VAL A 1 98 ? 5.848 -7.782 10.584 1.00 13.20 ? 438 VAL A CA 1 ATOM 694 C C . VAL A 1 98 ? 5.688 -7.789 9.044 1.00 12.99 ? 438 VAL A C 1 ATOM 695 O O . VAL A 1 98 ? 6.407 -7.048 8.409 1.00 14.69 ? 438 VAL A O 1 ATOM 696 C CB . VAL A 1 98 ? 4.982 -6.631 11.115 1.00 16.03 ? 438 VAL A CB 1 ATOM 697 C CG1 . VAL A 1 98 ? 3.504 -6.891 10.853 1.00 14.38 ? 438 VAL A CG1 1 ATOM 698 C CG2 . VAL A 1 98 ? 5.182 -6.506 12.641 1.00 15.75 ? 438 VAL A CG2 1 ATOM 699 N N . PHE A 1 99 ? 4.872 -8.702 8.572 1.00 12.75 ? 439 PHE A N 1 ATOM 700 C CA . PHE A 1 99 ? 4.654 -8.763 7.114 1.00 12.80 ? 439 PHE A CA 1 ATOM 701 C C . PHE A 1 99 ? 3.222 -8.309 6.834 1.00 12.25 ? 439 PHE A C 1 ATOM 702 O O . PHE A 1 99 ? 2.299 -8.755 7.503 1.00 13.99 ? 439 PHE A O 1 ATOM 703 C CB . PHE A 1 99 ? 4.780 -10.229 6.672 1.00 12.45 ? 439 PHE A CB 1 ATOM 704 C CG . PHE A 1 99 ? 4.538 -10.379 5.175 1.00 13.92 ? 439 PHE A CG 1 ATOM 705 C CD1 . PHE A 1 99 ? 5.324 -9.689 4.306 1.00 14.35 ? 439 PHE A CD1 1 ATOM 706 C CD2 . PHE A 1 99 ? 3.519 -11.204 4.746 1.00 13.69 ? 439 PHE A CD2 1 ATOM 707 C CE1 . PHE A 1 99 ? 5.087 -9.829 2.934 1.00 15.23 ? 439 PHE A CE1 1 ATOM 708 C CE2 . PHE A 1 99 ? 3.284 -11.365 3.379 1.00 16.07 ? 439 PHE A CE2 1 ATOM 709 C CZ . PHE A 1 99 ? 4.090 -10.677 2.507 1.00 14.99 ? 439 PHE A CZ 1 ATOM 710 N N . PHE A 1 100 ? 3.073 -7.447 5.833 1.00 12.65 ? 440 PHE A N 1 ATOM 711 C CA . PHE A 1 100 ? 1.745 -7.005 5.385 1.00 13.30 ? 440 PHE A CA 1 ATOM 712 C C . PHE A 1 100 ? 1.575 -7.690 4.003 1.00 16.53 ? 440 PHE A C 1 ATOM 713 O O . PHE A 1 100 ? 2.515 -7.616 3.229 1.00 15.58 ? 440 PHE A O 1 ATOM 714 C CB . PHE A 1 100 ? 1.735 -5.499 5.189 1.00 14.85 ? 440 PHE A CB 1 ATOM 715 C CG . PHE A 1 100 ? 1.711 -4.689 6.458 1.00 17.06 ? 440 PHE A CG 1 ATOM 716 C CD1 . PHE A 1 100 ? 2.820 -4.633 7.271 1.00 17.97 ? 440 PHE A CD1 1 ATOM 717 C CD2 . PHE A 1 100 ? 0.580 -3.988 6.829 1.00 18.80 ? 440 PHE A CD2 1 ATOM 718 C CE1 . PHE A 1 100 ? 2.831 -3.889 8.435 1.00 17.82 ? 440 PHE A CE1 1 ATOM 719 C CE2 . PHE A 1 100 ? 0.572 -3.250 8.001 1.00 17.47 ? 440 PHE A CE2 1 ATOM 720 C CZ . PHE A 1 100 ? 1.696 -3.189 8.791 1.00 16.73 ? 440 PHE A CZ 1 ATOM 721 N N . ASP A 1 101 ? 0.480 -8.391 3.781 1.00 19.20 ? 441 ASP A N 1 ATOM 722 C CA . ASP A 1 101 ? 0.350 -9.068 2.481 1.00 23.48 ? 441 ASP A CA 1 ATOM 723 C C . ASP A 1 101 ? -0.337 -8.216 1.451 1.00 24.59 ? 441 ASP A C 1 ATOM 724 O O . ASP A 1 101 ? -0.309 -8.569 0.264 1.00 25.37 ? 441 ASP A O 1 ATOM 725 C CB . ASP A 1 101 ? -0.322 -10.420 2.679 1.00 25.51 ? 441 ASP A CB 1 ATOM 726 C CG . ASP A 1 101 ? -1.734 -10.299 3.201 1.00 28.35 ? 441 ASP A CG 1 ATOM 727 O OD1 . ASP A 1 101 ? -2.162 -9.186 3.554 1.00 29.48 ? 441 ASP A OD1 1 ATOM 728 O OD2 . ASP A 1 101 ? -2.438 -11.332 3.253 1.00 31.53 ? 441 ASP A OD2 1 ATOM 729 N N . ASN A 1 102 ? -0.930 -7.077 1.787 1.00 24.97 ? 442 ASN A N 1 ATOM 730 C CA . ASN A 1 102 ? -1.609 -6.217 0.827 1.00 27.62 ? 442 ASN A CA 1 ATOM 731 C C . ASN A 1 102 ? -1.600 -4.758 1.239 1.00 26.82 ? 442 ASN A C 1 ATOM 732 O O . ASN A 1 102 ? -2.402 -4.342 2.081 1.00 28.66 ? 442 ASN A O 1 ATOM 733 C CB . ASN A 1 102 ? -3.069 -6.685 0.694 1.00 33.45 ? 442 ASN A CB 1 ATOM 734 C CG . ASN A 1 102 ? -3.857 -6.000 -0.393 1.00 37.12 ? 442 ASN A CG 1 ATOM 735 O OD1 . ASN A 1 102 ? -3.325 -5.398 -1.318 1.00 38.88 ? 442 ASN A OD1 1 ATOM 736 N ND2 . ASN A 1 102 ? -5.186 -6.094 -0.297 1.00 40.25 ? 442 ASN A ND2 1 ATOM 737 N N . PRO A 1 103 ? -0.721 -3.950 0.687 1.00 24.60 ? 443 PRO A N 1 ATOM 738 C CA . PRO A 1 103 ? 0.254 -4.368 -0.296 1.00 22.50 ? 443 PRO A CA 1 ATOM 739 C C . PRO A 1 103 ? 1.424 -5.073 0.371 1.00 21.42 ? 443 PRO A C 1 ATOM 740 O O . PRO A 1 103 ? 1.563 -4.973 1.585 1.00 21.35 ? 443 PRO A O 1 ATOM 741 C CB . PRO A 1 103 ? 0.708 -3.029 -0.880 1.00 23.72 ? 443 PRO A CB 1 ATOM 742 C CG . PRO A 1 103 ? 0.686 -2.118 0.308 1.00 25.49 ? 443 PRO A CG 1 ATOM 743 C CD . PRO A 1 103 ? -0.596 -2.497 0.999 1.00 25.30 ? 443 PRO A CD 1 ATOM 744 N N . TRP A 1 104 ? 2.222 -5.784 -0.394 1.00 17.21 ? 444 TRP A N 1 ATOM 745 C CA . TRP A 1 104 ? 3.375 -6.526 0.141 1.00 14.88 ? 444 TRP A CA 1 ATOM 746 C C . TRP A 1 104 ? 4.352 -5.558 0.786 1.00 14.59 ? 444 TRP A C 1 ATOM 747 O O . TRP A 1 104 ? 4.930 -4.674 0.163 1.00 14.23 ? 444 TRP A O 1 ATOM 748 C CB . TRP A 1 104 ? 4.019 -7.193 -1.082 1.00 13.25 ? 444 TRP A CB 1 ATOM 749 C CG . TRP A 1 104 ? 5.086 -8.188 -0.780 1.00 13.48 ? 444 TRP A CG 1 ATOM 750 C CD1 . TRP A 1 104 ? 6.312 -7.954 -0.205 1.00 13.30 ? 444 TRP A CD1 1 ATOM 751 C CD2 . TRP A 1 104 ? 5.029 -9.586 -1.059 1.00 14.11 ? 444 TRP A CD2 1 ATOM 752 N NE1 . TRP A 1 104 ? 6.995 -9.145 -0.090 1.00 13.95 ? 444 TRP A NE1 1 ATOM 753 C CE2 . TRP A 1 104 ? 6.232 -10.155 -0.621 1.00 13.95 ? 444 TRP A CE2 1 ATOM 754 C CE3 . TRP A 1 104 ? 4.043 -10.407 -1.638 1.00 16.11 ? 444 TRP A CE3 1 ATOM 755 C CZ2 . TRP A 1 104 ? 6.502 -11.511 -0.754 1.00 15.15 ? 444 TRP A CZ2 1 ATOM 756 C CZ3 . TRP A 1 104 ? 4.310 -11.757 -1.768 1.00 16.71 ? 444 TRP A CZ3 1 ATOM 757 C CH2 . TRP A 1 104 ? 5.534 -12.289 -1.330 1.00 16.28 ? 444 TRP A CH2 1 ATOM 758 N N . ALA A 1 105 ? 4.538 -5.714 2.119 1.00 12.12 ? 445 ALA A N 1 ATOM 759 C CA . ALA A 1 105 ? 5.410 -4.748 2.796 1.00 10.52 ? 445 ALA A CA 1 ATOM 760 C C . ALA A 1 105 ? 5.764 -5.265 4.198 1.00 11.77 ? 445 ALA A C 1 ATOM 761 O O . ALA A 1 105 ? 5.372 -6.360 4.547 1.00 12.03 ? 445 ALA A O 1 ATOM 762 C CB . ALA A 1 105 ? 4.633 -3.453 2.936 1.00 11.86 ? 445 ALA A CB 1 ATOM 763 N N . GLY A 1 106 ? 6.471 -4.405 4.925 1.00 12.81 ? 446 GLY A N 1 ATOM 764 C CA . GLY A 1 106 ? 6.831 -4.862 6.286 1.00 13.52 ? 446 GLY A CA 1 ATOM 765 C C . GLY A 1 106 ? 6.393 -3.804 7.284 1.00 12.19 ? 446 GLY A C 1 ATOM 766 O O . GLY A 1 106 ? 5.814 -2.775 7.007 1.00 14.37 ? 446 GLY A O 1 ATOM 767 N N . GLY A 1 107 ? 6.803 -4.074 8.519 1.00 13.95 ? 447 GLY A N 1 ATOM 768 C CA . GLY A 1 107 ? 6.512 -3.132 9.619 1.00 12.63 ? 447 GLY A CA 1 ATOM 769 C C . GLY A 1 107 ? 7.375 -3.641 10.800 1.00 11.53 ? 447 GLY A C 1 ATOM 770 O O . GLY A 1 107 ? 8.099 -4.622 10.685 1.00 12.97 ? 447 GLY A O 1 ATOM 771 N N . ALA A 1 108 ? 7.245 -2.923 11.905 1.00 13.37 ? 448 ALA A N 1 ATOM 772 C CA . ALA A 1 108 ? 8.032 -3.294 13.089 1.00 12.21 ? 448 ALA A CA 1 ATOM 773 C C . ALA A 1 108 ? 7.137 -3.247 14.321 1.00 13.12 ? 448 ALA A C 1 ATOM 774 O O . ALA A 1 108 ? 6.522 -2.221 14.565 1.00 13.23 ? 448 ALA A O 1 ATOM 775 C CB . ALA A 1 108 ? 9.149 -2.251 13.255 1.00 13.68 ? 448 ALA A CB 1 ATOM 776 N N . LEU A 1 109 ? 7.112 -4.364 15.018 1.00 13.70 ? 449 LEU A N 1 ATOM 777 C CA . LEU A 1 109 ? 6.303 -4.416 16.258 1.00 12.79 ? 449 LEU A CA 1 ATOM 778 C C . LEU A 1 109 ? 7.006 -3.540 17.301 1.00 12.87 ? 449 LEU A C 1 ATOM 779 O O . LEU A 1 109 ? 8.207 -3.705 17.465 1.00 13.41 ? 449 LEU A O 1 ATOM 780 C CB . LEU A 1 109 ? 6.352 -5.880 16.685 1.00 14.92 ? 449 LEU A CB 1 ATOM 781 C CG . LEU A 1 109 ? 5.519 -6.254 17.901 1.00 15.70 ? 449 LEU A CG 1 ATOM 782 C CD1 . LEU A 1 109 ? 4.054 -5.919 17.652 1.00 17.04 ? 449 LEU A CD1 1 ATOM 783 C CD2 . LEU A 1 109 ? 5.682 -7.757 18.141 1.00 15.92 ? 449 LEU A CD2 1 ATOM 784 N N . ILE A 1 110 ? 6.286 -2.645 17.961 1.00 13.44 ? 450 ILE A N 1 ATOM 785 C CA . ILE A 1 110 ? 6.959 -1.769 18.933 1.00 15.80 ? 450 ILE A CA 1 ATOM 786 C C . ILE A 1 110 ? 6.460 -2.043 20.337 1.00 18.23 ? 450 ILE A C 1 ATOM 787 O O . ILE A 1 110 ? 7.039 -1.518 21.290 1.00 19.04 ? 450 ILE A O 1 ATOM 788 C CB . ILE A 1 110 ? 6.968 -0.299 18.599 1.00 16.45 ? 450 ILE A CB 1 ATOM 789 C CG1 . ILE A 1 110 ? 5.553 0.262 18.347 1.00 15.73 ? 450 ILE A CG1 1 ATOM 790 C CG2 . ILE A 1 110 ? 7.826 -0.034 17.349 1.00 15.07 ? 450 ILE A CG2 1 ATOM 791 C CD1 . ILE A 1 110 ? 5.556 1.775 18.222 1.00 18.86 ? 450 ILE A CD1 1 ATOM 792 N N . ASN A 1 111 ? 5.431 -2.854 20.428 1.00 17.68 ? 451 ASN A N 1 ATOM 793 C CA . ASN A 1 111 ? 4.918 -3.286 21.724 1.00 21.19 ? 451 ASN A CA 1 ATOM 794 C C . ASN A 1 111 ? 3.785 -4.261 21.490 1.00 22.32 ? 451 ASN A C 1 ATOM 795 O O . ASN A 1 111 ? 3.461 -4.596 20.346 1.00 21.32 ? 451 ASN A O 1 ATOM 796 C CB . ASN A 1 111 ? 4.639 -2.153 22.657 1.00 24.14 ? 451 ASN A CB 1 ATOM 797 C CG . ASN A 1 111 ? 3.545 -1.231 22.157 1.00 24.76 ? 451 ASN A CG 1 ATOM 798 O OD1 . ASN A 1 111 ? 3.720 -0.010 22.122 1.00 30.16 ? 451 ASN A OD1 1 ATOM 799 N ND2 . ASN A 1 111 ? 2.441 -1.836 21.771 1.00 26.33 ? 451 ASN A ND2 1 ATOM 800 N N . GLU A 1 112 ? 3.149 -4.762 22.544 1.00 20.60 ? 452 GLU A N 1 ATOM 801 C CA . GLU A 1 112 ? 2.093 -5.732 22.364 1.00 19.57 ? 452 GLU A CA 1 ATOM 802 C C . GLU A 1 112 ? 0.903 -5.264 21.564 1.00 16.67 ? 452 GLU A C 1 ATOM 803 O O . GLU A 1 112 ? 0.185 -6.142 21.066 1.00 17.28 ? 452 GLU A O 1 ATOM 804 C CB . GLU A 1 112 ? 1.634 -6.260 23.742 1.00 24.42 ? 452 GLU A CB 1 ATOM 805 C CG . GLU A 1 112 ? 1.036 -5.194 24.610 1.00 28.97 ? 452 GLU A CG 1 ATOM 806 C CD . GLU A 1 112 ? 1.951 -4.081 25.050 1.00 33.76 ? 452 GLU A CD 1 ATOM 807 O OE1 . GLU A 1 112 ? 3.172 -4.261 25.233 1.00 34.39 ? 452 GLU A OE1 1 ATOM 808 O OE2 . GLU A 1 112 ? 1.445 -2.939 25.206 1.00 39.65 ? 452 GLU A OE2 1 ATOM 809 N N . TYR A 1 113 ? 0.621 -3.976 21.433 1.00 16.44 ? 453 TYR A N 1 ATOM 810 C CA . TYR A 1 113 ? -0.587 -3.565 20.716 1.00 16.73 ? 453 TYR A CA 1 ATOM 811 C C . TYR A 1 113 ? -0.289 -2.673 19.521 1.00 15.75 ? 453 TYR A C 1 ATOM 812 O O . TYR A 1 113 ? -1.252 -2.125 18.973 1.00 14.99 ? 453 TYR A O 1 ATOM 813 C CB . TYR A 1 113 ? -1.397 -2.690 21.702 1.00 18.84 ? 453 TYR A CB 1 ATOM 814 C CG . TYR A 1 113 ? -2.283 -3.490 22.618 1.00 22.18 ? 453 TYR A CG 1 ATOM 815 C CD1 . TYR A 1 113 ? -1.969 -3.639 23.958 1.00 24.59 ? 453 TYR A CD1 1 ATOM 816 C CD2 . TYR A 1 113 ? -3.434 -4.089 22.129 1.00 24.00 ? 453 TYR A CD2 1 ATOM 817 C CE1 . TYR A 1 113 ? -2.798 -4.383 24.784 1.00 27.78 ? 453 TYR A CE1 1 ATOM 818 C CE2 . TYR A 1 113 ? -4.267 -4.825 22.948 1.00 26.96 ? 453 TYR A CE2 1 ATOM 819 C CZ . TYR A 1 113 ? -3.940 -4.952 24.274 1.00 28.56 ? 453 TYR A CZ 1 ATOM 820 O OH . TYR A 1 113 ? -4.775 -5.702 25.078 1.00 31.55 ? 453 TYR A OH 1 ATOM 821 N N . TRP A 1 114 ? 0.978 -2.414 19.212 1.00 13.25 ? 454 TRP A N 1 ATOM 822 C CA . TRP A 1 114 ? 1.232 -1.421 18.147 1.00 13.53 ? 454 TRP A CA 1 ATOM 823 C C . TRP A 1 114 ? 2.333 -1.851 17.204 1.00 13.64 ? 454 TRP A C 1 ATOM 824 O O . TRP A 1 114 ? 3.341 -2.412 17.579 1.00 13.14 ? 454 TRP A O 1 ATOM 825 C CB . TRP A 1 114 ? 1.717 -0.115 18.821 1.00 14.70 ? 454 TRP A CB 1 ATOM 826 C CG . TRP A 1 114 ? 0.659 0.623 19.578 1.00 14.06 ? 454 TRP A CG 1 ATOM 827 C CD1 . TRP A 1 114 ? 0.402 0.459 20.920 1.00 16.63 ? 454 TRP A CD1 1 ATOM 828 C CD2 . TRP A 1 114 ? -0.281 1.562 19.094 1.00 14.55 ? 454 TRP A CD2 1 ATOM 829 N NE1 . TRP A 1 114 ? -0.652 1.272 21.269 1.00 17.46 ? 454 TRP A NE1 1 ATOM 830 C CE2 . TRP A 1 114 ? -1.083 1.971 20.179 1.00 16.42 ? 454 TRP A CE2 1 ATOM 831 C CE3 . TRP A 1 114 ? -0.520 2.148 17.845 1.00 15.83 ? 454 TRP A CE3 1 ATOM 832 C CZ2 . TRP A 1 114 ? -2.104 2.904 20.052 1.00 16.81 ? 454 TRP A CZ2 1 ATOM 833 C CZ3 . TRP A 1 114 ? -1.538 3.077 17.727 1.00 17.49 ? 454 TRP A CZ3 1 ATOM 834 C CH2 . TRP A 1 114 ? -2.310 3.458 18.824 1.00 18.30 ? 454 TRP A CH2 1 ATOM 835 N N . VAL A 1 115 ? 2.097 -1.522 15.921 1.00 12.54 ? 455 VAL A N 1 ATOM 836 C CA . VAL A 1 115 ? 3.067 -1.834 14.865 1.00 12.08 ? 455 VAL A CA 1 ATOM 837 C C . VAL A 1 115 ? 3.349 -0.512 14.160 1.00 11.07 ? 455 VAL A C 1 ATOM 838 O O . VAL A 1 115 ? 2.453 0.283 13.881 1.00 12.60 ? 455 VAL A O 1 ATOM 839 C CB . VAL A 1 115 ? 2.424 -2.801 13.840 1.00 11.71 ? 455 VAL A CB 1 ATOM 840 C CG1 . VAL A 1 115 ? 3.307 -2.931 12.590 1.00 14.04 ? 455 VAL A CG1 1 ATOM 841 C CG2 . VAL A 1 115 ? 2.263 -4.197 14.430 1.00 13.45 ? 455 VAL A CG2 1 ATOM 842 N N . LEU A 1 116 ? 4.614 -0.267 13.889 1.00 11.09 ? 456 LEU A N 1 ATOM 843 C CA . LEU A 1 116 ? 5.019 0.937 13.174 1.00 12.21 ? 456 LEU A CA 1 ATOM 844 C C . LEU A 1 116 ? 5.249 0.522 11.706 1.00 12.19 ? 456 LEU A C 1 ATOM 845 O O . LEU A 1 116 ? 5.776 -0.569 11.484 1.00 13.45 ? 456 LEU A O 1 ATOM 846 C CB . LEU A 1 116 ? 6.368 1.344 13.793 1.00 15.53 ? 456 LEU A CB 1 ATOM 847 C CG . LEU A 1 116 ? 6.861 2.746 13.654 1.00 18.62 ? 456 LEU A CG 1 ATOM 848 C CD1 . LEU A 1 116 ? 5.849 3.822 13.980 1.00 18.07 ? 456 LEU A CD1 1 ATOM 849 C CD2 . LEU A 1 116 ? 8.157 2.926 14.466 1.00 18.26 ? 456 LEU A CD2 1 ATOM 850 N N . THR A 1 117 ? 4.835 1.352 10.778 1.00 12.94 ? 457 THR A N 1 ATOM 851 C CA . THR A 1 117 ? 5.092 0.997 9.356 1.00 12.66 ? 457 THR A CA 1 ATOM 852 C C . THR A 1 117 ? 5.173 2.302 8.594 1.00 12.11 ? 457 THR A C 1 ATOM 853 O O . THR A 1 117 ? 5.136 3.405 9.142 1.00 11.81 ? 457 THR A O 1 ATOM 854 C CB . THR A 1 117 ? 4.063 0.051 8.768 1.00 15.81 ? 457 THR A CB 1 ATOM 855 O OG1 . THR A 1 117 ? 4.381 -0.343 7.412 1.00 17.92 ? 457 THR A OG1 1 ATOM 856 C CG2 . THR A 1 117 ? 2.676 0.704 8.721 1.00 17.80 ? 457 THR A CG2 1 ATOM 857 N N . ALA A 1 118 ? 5.318 2.189 7.275 1.00 12.69 ? 458 ALA A N 1 ATOM 858 C CA . ALA A 1 118 ? 5.355 3.401 6.452 1.00 12.60 ? 458 ALA A CA 1 ATOM 859 C C . ALA A 1 118 ? 3.912 3.820 6.134 1.00 12.26 ? 458 ALA A C 1 ATOM 860 O O . ALA A 1 118 ? 3.048 2.979 5.936 1.00 14.35 ? 458 ALA A O 1 ATOM 861 C CB . ALA A 1 118 ? 6.032 2.993 5.133 1.00 14.13 ? 458 ALA A CB 1 ATOM 862 N N . ALA A 1 119 ? 3.669 5.121 6.076 1.00 12.12 ? 459 ALA A N 1 ATOM 863 C CA . ALA A 1 119 ? 2.312 5.592 5.726 1.00 12.90 ? 459 ALA A CA 1 ATOM 864 C C . ALA A 1 119 ? 1.907 5.101 4.333 1.00 14.31 ? 459 ALA A C 1 ATOM 865 O O . ALA A 1 119 ? 0.731 4.800 4.099 1.00 14.70 ? 459 ALA A O 1 ATOM 866 C CB . ALA A 1 119 ? 2.344 7.119 5.679 1.00 13.33 ? 459 ALA A CB 1 ATOM 867 N N . HIS A 1 120 ? 2.867 5.023 3.420 1.00 14.58 ? 460 HIS A N 1 ATOM 868 C CA . HIS A 1 120 ? 2.494 4.586 2.065 1.00 15.99 ? 460 HIS A CA 1 ATOM 869 C C . HIS A 1 120 ? 2.000 3.162 2.013 1.00 17.42 ? 460 HIS A C 1 ATOM 870 O O . HIS A 1 120 ? 1.318 2.786 1.040 1.00 17.28 ? 460 HIS A O 1 ATOM 871 C CB . HIS A 1 120 ? 3.586 4.882 1.069 1.00 17.81 ? 460 HIS A CB 1 ATOM 872 C CG . HIS A 1 120 ? 4.677 3.886 0.923 1.00 16.46 ? 460 HIS A CG 1 ATOM 873 N ND1 . HIS A 1 120 ? 5.937 4.109 1.454 1.00 18.50 ? 460 HIS A ND1 1 ATOM 874 C CD2 . HIS A 1 120 ? 4.748 2.689 0.293 1.00 18.59 ? 460 HIS A CD2 1 ATOM 875 C CE1 . HIS A 1 120 ? 6.724 3.105 1.183 1.00 16.90 ? 460 HIS A CE1 1 ATOM 876 N NE2 . HIS A 1 120 ? 6.039 2.227 0.472 1.00 18.23 ? 460 HIS A NE2 1 ATOM 877 N N . VAL A 1 121 ? 2.332 2.322 2.982 1.00 15.85 ? 461 VAL A N 1 ATOM 878 C CA . VAL A 1 121 ? 1.879 0.950 3.039 1.00 15.77 ? 461 VAL A CA 1 ATOM 879 C C . VAL A 1 121 ? 0.412 0.878 3.443 1.00 17.51 ? 461 VAL A C 1 ATOM 880 O O . VAL A 1 121 ? -0.328 0.008 2.960 1.00 20.57 ? 461 VAL A O 1 ATOM 881 C CB . VAL A 1 121 ? 2.724 0.111 4.015 1.00 17.14 ? 461 VAL A CB 1 ATOM 882 C CG1 . VAL A 1 121 ? 2.140 -1.270 4.274 1.00 16.63 ? 461 VAL A CG1 1 ATOM 883 C CG2 . VAL A 1 121 ? 4.155 0.003 3.495 1.00 18.82 ? 461 VAL A CG2 1 ATOM 884 N N . VAL A 1 122 ? -0.004 1.753 4.354 1.00 15.55 ? 462 VAL A N 1 ATOM 885 C CA . VAL A 1 122 ? -1.369 1.682 4.844 1.00 16.50 ? 462 VAL A CA 1 ATOM 886 C C . VAL A 1 122 ? -2.280 2.766 4.344 1.00 18.52 ? 462 VAL A C 1 ATOM 887 O O . VAL A 1 122 ? -3.492 2.757 4.646 1.00 19.54 ? 462 VAL A O 1 ATOM 888 C CB . VAL A 1 122 ? -1.405 1.578 6.385 1.00 14.76 ? 462 VAL A CB 1 ATOM 889 C CG1 . VAL A 1 122 ? -0.833 0.256 6.852 1.00 16.89 ? 462 VAL A CG1 1 ATOM 890 C CG2 . VAL A 1 122 ? -0.660 2.752 6.997 1.00 17.84 ? 462 VAL A CG2 1 ATOM 891 N N . GLU A 1 123 ? -1.804 3.699 3.537 1.00 18.16 ? 463 GLU A N 1 ATOM 892 C CA . GLU A 1 123 ? -2.670 4.757 3.018 1.00 21.08 ? 463 GLU A CA 1 ATOM 893 C C . GLU A 1 123 ? -3.890 4.203 2.302 1.00 21.83 ? 463 GLU A C 1 ATOM 894 O O . GLU A 1 123 ? -4.989 4.758 2.467 1.00 23.67 ? 463 GLU A O 1 ATOM 895 C CB . GLU A 1 123 ? -1.887 5.716 2.130 1.00 24.76 ? 463 GLU A CB 1 ATOM 896 C CG . GLU A 1 123 ? -1.405 5.094 0.846 1.00 26.42 ? 463 GLU A CG 1 ATOM 897 C CD . GLU A 1 123 ? -0.495 6.007 0.047 1.00 29.76 ? 463 GLU A CD 1 ATOM 898 O OE1 . GLU A 1 123 ? -0.465 7.217 0.324 1.00 29.57 ? 463 GLU A OE1 1 ATOM 899 O OE2 . GLU A 1 123 ? 0.174 5.490 -0.867 1.00 31.82 ? 463 GLU A OE2 1 ATOM 900 N N . GLY A 1 124 ? -3.749 3.142 1.529 1.00 21.38 ? 464 GLY A N 1 ATOM 901 C CA . GLY A 1 124 ? -4.865 2.560 0.797 1.00 22.72 ? 464 GLY A CA 1 ATOM 902 C C . GLY A 1 124 ? -5.392 1.284 1.400 1.00 22.47 ? 464 GLY A C 1 ATOM 903 O O . GLY A 1 124 ? -6.146 0.520 0.792 1.00 22.60 ? 464 GLY A O 1 ATOM 904 N N . ASN A 1 125 ? -4.986 0.989 2.627 1.00 21.46 ? 465 ASN A N 1 ATOM 905 C CA . ASN A 1 125 ? -5.429 -0.200 3.317 1.00 21.53 ? 465 ASN A CA 1 ATOM 906 C C . ASN A 1 125 ? -5.516 0.134 4.804 1.00 22.12 ? 465 ASN A C 1 ATOM 907 O O . ASN A 1 125 ? -4.557 -0.026 5.541 1.00 21.77 ? 465 ASN A O 1 ATOM 908 C CB . ASN A 1 125 ? -4.570 -1.438 3.095 1.00 23.50 ? 465 ASN A CB 1 ATOM 909 C CG . ASN A 1 125 ? -5.263 -2.684 3.602 1.00 24.37 ? 465 ASN A CG 1 ATOM 910 O OD1 . ASN A 1 125 ? -6.282 -2.578 4.300 1.00 26.23 ? 465 ASN A OD1 1 ATOM 911 N ND2 . ASN A 1 125 ? -4.764 -3.861 3.280 1.00 24.57 ? 465 ASN A ND2 1 ATOM 912 N N . ARG A 1 126 ? -6.707 0.609 5.179 1.00 20.73 ? 466 ARG A N 1 ATOM 913 C CA . ARG A 1 126 ? -6.955 0.983 6.554 1.00 20.47 ? 466 ARG A CA 1 ATOM 914 C C . ARG A 1 126 ? -7.333 -0.156 7.460 1.00 21.50 ? 466 ARG A C 1 ATOM 915 O O . ARG A 1 126 ? -7.566 0.055 8.650 1.00 20.48 ? 466 ARG A O 1 ATOM 916 C CB . ARG A 1 126 ? -7.987 2.095 6.640 1.00 23.45 ? 466 ARG A CB 1 ATOM 917 C CG . ARG A 1 126 ? -7.664 3.373 5.924 1.00 23.82 ? 466 ARG A CG 1 ATOM 918 C CD . ARG A 1 126 ? -6.247 3.883 6.175 1.00 26.50 ? 466 ARG A CD 1 ATOM 919 N NE . ARG A 1 126 ? -6.037 5.042 5.306 1.00 28.52 ? 466 ARG A NE 1 ATOM 920 C CZ . ARG A 1 126 ? -6.342 6.290 5.637 1.00 30.62 ? 466 ARG A CZ 1 ATOM 921 N NH1 . ARG A 1 126 ? -6.805 6.583 6.832 1.00 29.05 ? 466 ARG A NH1 1 ATOM 922 N NH2 . ARG A 1 126 ? -6.131 7.251 4.753 1.00 30.55 ? 466 ARG A NH2 1 ATOM 923 N N . GLU A 1 127 ? -7.344 -1.391 6.987 1.00 21.17 ? 467 GLU A N 1 ATOM 924 C CA . GLU A 1 127 ? -7.610 -2.576 7.796 1.00 22.30 ? 467 GLU A CA 1 ATOM 925 C C . GLU A 1 127 ? -6.642 -3.650 7.328 1.00 21.84 ? 467 GLU A C 1 ATOM 926 O O . GLU A 1 127 ? -6.986 -4.703 6.815 1.00 21.34 ? 467 GLU A O 1 ATOM 927 C CB . GLU A 1 127 ? -9.066 -3.016 7.591 1.00 27.18 ? 467 GLU A CB 1 ATOM 928 C CG . GLU A 1 127 ? -9.455 -3.046 6.128 1.00 32.76 ? 467 GLU A CG 1 ATOM 929 C CD . GLU A 1 127 ? -10.801 -3.701 5.869 1.00 37.31 ? 467 GLU A CD 1 ATOM 930 O OE1 . GLU A 1 127 ? -10.651 -4.950 5.903 0.00 34.28 ? 467 GLU A OE1 1 ATOM 931 O OE2 . GLU A 1 127 ? -11.659 -2.935 5.358 1.00 39.90 ? 467 GLU A OE2 1 ATOM 932 N N . PRO A 1 128 ? -5.343 -3.371 7.462 1.00 21.23 ? 468 PRO A N 1 ATOM 933 C CA . PRO A 1 128 ? -4.329 -4.268 6.968 1.00 20.75 ? 468 PRO A CA 1 ATOM 934 C C . PRO A 1 128 ? -4.226 -5.599 7.660 1.00 21.65 ? 468 PRO A C 1 ATOM 935 O O . PRO A 1 128 ? -4.286 -5.650 8.882 1.00 23.19 ? 468 PRO A O 1 ATOM 936 C CB . PRO A 1 128 ? -3.019 -3.483 7.196 1.00 20.42 ? 468 PRO A CB 1 ATOM 937 C CG . PRO A 1 128 ? -3.334 -2.548 8.317 1.00 20.43 ? 468 PRO A CG 1 ATOM 938 C CD . PRO A 1 128 ? -4.770 -2.152 8.071 1.00 20.92 ? 468 PRO A CD 1 ATOM 939 N N . THR A 1 129 ? -4.022 -6.669 6.889 1.00 22.06 ? 469 THR A N 1 ATOM 940 C CA . THR A 1 129 ? -3.788 -7.969 7.506 1.00 22.58 ? 469 THR A CA 1 ATOM 941 C C . THR A 1 129 ? -2.271 -8.028 7.738 1.00 21.73 ? 469 THR A C 1 ATOM 942 O O . THR A 1 129 ? -1.530 -7.634 6.841 1.00 21.11 ? 469 THR A O 1 ATOM 943 C CB A THR A 1 129 ? -4.237 -9.152 6.655 0.60 25.25 ? 469 THR A CB 1 ATOM 944 C CB B THR A 1 129 ? -4.185 -9.150 6.616 0.40 23.48 ? 469 THR A CB 1 ATOM 945 O OG1 A THR A 1 129 ? -5.610 -8.946 6.270 0.60 26.93 ? 469 THR A OG1 1 ATOM 946 O OG1 B THR A 1 129 ? -4.127 -8.750 5.252 0.40 23.87 ? 469 THR A OG1 1 ATOM 947 C CG2 A THR A 1 129 ? -4.122 -10.445 7.445 0.60 25.66 ? 469 THR A CG2 1 ATOM 948 C CG2 B THR A 1 129 ? -5.588 -9.627 6.953 0.40 23.01 ? 469 THR A CG2 1 ATOM 949 N N . MET A 1 130 ? -1.849 -8.435 8.912 1.00 19.21 ? 470 MET A N 1 ATOM 950 C CA . MET A 1 130 ? -0.436 -8.471 9.265 1.00 18.16 ? 470 MET A CA 1 ATOM 951 C C . MET A 1 130 ? -0.063 -9.837 9.808 1.00 17.90 ? 470 MET A C 1 ATOM 952 O O . MET A 1 130 ? -0.912 -10.516 10.382 1.00 18.75 ? 470 MET A O 1 ATOM 953 C CB . MET A 1 130 ? -0.178 -7.434 10.381 1.00 18.85 ? 470 MET A CB 1 ATOM 954 C CG . MET A 1 130 ? -0.280 -5.994 9.926 1.00 20.00 ? 470 MET A CG 1 ATOM 955 S SD . MET A 1 130 ? -0.585 -4.836 11.279 1.00 21.95 ? 470 MET A SD 1 ATOM 956 C CE . MET A 1 130 ? -2.249 -5.371 11.725 1.00 21.29 ? 470 MET A CE 1 ATOM 957 N N . TYR A 1 131 ? 1.183 -10.251 9.589 1.00 15.36 ? 471 TYR A N 1 ATOM 958 C CA . TYR A 1 131 ? 1.614 -11.574 10.047 1.00 17.57 ? 471 TYR A CA 1 ATOM 959 C C . TYR A 1 131 ? 2.953 -11.451 10.764 1.00 17.19 ? 471 TYR A C 1 ATOM 960 O O . TYR A 1 131 ? 3.803 -10.630 10.415 1.00 15.51 ? 471 TYR A O 1 ATOM 961 C CB . TYR A 1 131 ? 1.831 -12.544 8.868 1.00 20.56 ? 471 TYR A CB 1 ATOM 962 C CG . TYR A 1 131 ? 0.560 -12.734 8.065 1.00 23.46 ? 471 TYR A CG 1 ATOM 963 C CD1 . TYR A 1 131 ? 0.237 -11.840 7.060 1.00 25.31 ? 471 TYR A CD1 1 ATOM 964 C CD2 . TYR A 1 131 ? -0.321 -13.746 8.372 1.00 26.05 ? 471 TYR A CD2 1 ATOM 965 C CE1 . TYR A 1 131 ? -0.947 -11.964 6.352 1.00 28.33 ? 471 TYR A CE1 1 ATOM 966 C CE2 . TYR A 1 131 ? -1.503 -13.894 7.654 1.00 28.44 ? 471 TYR A CE2 1 ATOM 967 C CZ . TYR A 1 131 ? -1.791 -13.004 6.651 1.00 29.58 ? 471 TYR A CZ 1 ATOM 968 O OH . TYR A 1 131 ? -2.965 -13.143 5.936 1.00 34.31 ? 471 TYR A OH 1 ATOM 969 N N . VAL A 1 132 ? 3.137 -12.276 11.801 1.00 17.44 ? 472 VAL A N 1 ATOM 970 C CA . VAL A 1 132 ? 4.394 -12.251 12.541 1.00 17.40 ? 472 VAL A CA 1 ATOM 971 C C . VAL A 1 132 ? 4.796 -13.693 12.868 1.00 16.62 ? 472 VAL A C 1 ATOM 972 O O . VAL A 1 132 ? 3.980 -14.615 12.798 1.00 17.72 ? 472 VAL A O 1 ATOM 973 C CB . VAL A 1 132 ? 4.319 -11.483 13.875 1.00 18.97 ? 472 VAL A CB 1 ATOM 974 C CG1 . VAL A 1 132 ? 4.096 -9.996 13.706 1.00 19.85 ? 472 VAL A CG1 1 ATOM 975 C CG2 . VAL A 1 132 ? 3.261 -12.093 14.791 1.00 19.37 ? 472 VAL A CG2 1 ATOM 976 N N . GLY A 1 133 ? 6.053 -13.891 13.211 1.00 17.48 ? 473 GLY A N 1 ATOM 977 C CA . GLY A 1 133 ? 6.586 -15.133 13.678 1.00 17.79 ? 473 GLY A CA 1 ATOM 978 C C . GLY A 1 133 ? 7.071 -16.170 12.732 1.00 19.51 ? 473 GLY A C 1 ATOM 979 O O . GLY A 1 133 ? 7.490 -17.257 13.165 1.00 18.85 ? 473 GLY A O 1 ATOM 980 N N . SER A 1 134 ? 7.099 -15.859 11.440 1.00 17.59 ? 474 SER A N 1 ATOM 981 C CA . SER A 1 134 ? 7.552 -16.855 10.472 1.00 19.57 ? 474 SER A CA 1 ATOM 982 C C . SER A 1 134 ? 8.605 -16.297 9.542 1.00 18.86 ? 474 SER A C 1 ATOM 983 O O . SER A 1 134 ? 8.524 -15.141 9.127 1.00 19.46 ? 474 SER A O 1 ATOM 984 C CB A SER A 1 134 ? 6.325 -17.305 9.662 0.60 21.73 ? 474 SER A CB 1 ATOM 985 C CB B SER A 1 134 ? 6.358 -17.405 9.696 0.40 19.41 ? 474 SER A CB 1 ATOM 986 O OG A SER A 1 134 ? 6.656 -18.338 8.766 0.60 24.32 ? 474 SER A OG 1 ATOM 987 O OG B SER A 1 134 ? 5.669 -18.379 10.455 0.30 17.61 ? 474 SER A OG 1 ATOM 988 N N . THR A 1 135 ? 9.596 -17.118 9.218 1.00 18.52 ? 475 THR A N 1 ATOM 989 C CA . THR A 1 135 ? 10.667 -16.700 8.315 1.00 18.75 ? 475 THR A CA 1 ATOM 990 C C . THR A 1 135 ? 10.124 -16.638 6.888 1.00 18.84 ? 475 THR A C 1 ATOM 991 O O . THR A 1 135 ? 10.545 -15.791 6.101 1.00 19.25 ? 475 THR A O 1 ATOM 992 C CB . THR A 1 135 ? 11.826 -17.718 8.375 1.00 20.03 ? 475 THR A CB 1 ATOM 993 O OG1 . THR A 1 135 ? 12.397 -17.641 9.699 1.00 19.32 ? 475 THR A OG1 1 ATOM 994 C CG2 . THR A 1 135 ? 12.914 -17.387 7.385 1.00 19.07 ? 475 THR A CG2 1 ATOM 995 N N . SER A 1 136 ? 9.187 -17.517 6.592 1.00 20.21 ? 476 SER A N 1 ATOM 996 C CA . SER A 1 136 ? 8.583 -17.564 5.262 1.00 22.09 ? 476 SER A CA 1 ATOM 997 C C . SER A 1 136 ? 7.225 -16.903 5.234 1.00 23.15 ? 476 SER A C 1 ATOM 998 O O . SER A 1 136 ? 6.466 -16.975 6.199 1.00 24.61 ? 476 SER A O 1 ATOM 999 C CB . SER A 1 136 ? 8.460 -19.041 4.841 1.00 24.04 ? 476 SER A CB 1 ATOM 1000 O OG . SER A 1 136 ? 7.680 -19.153 3.661 1.00 26.96 ? 476 SER A OG 1 ATOM 1001 N N . VAL A 1 137 ? 6.864 -16.250 4.120 1.00 22.28 ? 477 VAL A N 1 ATOM 1002 C CA . VAL A 1 137 ? 5.555 -15.638 4.009 1.00 23.60 ? 477 VAL A CA 1 ATOM 1003 C C . VAL A 1 137 ? 4.530 -16.633 3.457 1.00 26.00 ? 477 VAL A C 1 ATOM 1004 O O . VAL A 1 137 ? 3.347 -16.304 3.401 1.00 27.44 ? 477 VAL A O 1 ATOM 1005 C CB . VAL A 1 137 ? 5.506 -14.360 3.184 1.00 25.41 ? 477 VAL A CB 1 ATOM 1006 C CG1 . VAL A 1 137 ? 6.361 -13.262 3.800 1.00 27.90 ? 477 VAL A CG1 1 ATOM 1007 C CG2 . VAL A 1 137 ? 5.907 -14.618 1.751 1.00 26.05 ? 477 VAL A CG2 1 ATOM 1008 N N . GLN A 1 138 ? 4.974 -17.811 3.048 1.00 27.22 ? 478 GLN A N 1 ATOM 1009 C CA . GLN A 1 138 ? 4.088 -18.819 2.487 1.00 29.98 ? 478 GLN A CA 1 ATOM 1010 C C . GLN A 1 138 ? 3.617 -19.847 3.498 1.00 32.05 ? 478 GLN A C 1 ATOM 1011 O O . GLN A 1 138 ? 4.367 -20.092 4.478 1.00 34.60 ? 478 GLN A O 1 ATOM 1012 C CB . GLN A 1 138 ? 4.772 -19.511 1.308 1.00 29.26 ? 478 GLN A CB 1 ATOM 1013 C CG . GLN A 1 138 ? 5.010 -18.572 0.137 1.00 30.18 ? 478 GLN A CG 1 ATOM 1014 C CD . GLN A 1 138 ? 5.560 -19.282 -1.073 1.00 30.45 ? 478 GLN A CD 1 ATOM 1015 O OE1 . GLN A 1 138 ? 6.339 -20.225 -0.939 1.00 30.63 ? 478 GLN A OE1 1 ATOM 1016 N NE2 . GLN A 1 138 ? 5.168 -18.840 -2.262 1.00 27.99 ? 478 GLN A NE2 1 ATOM 1017 N N . LYS A 1 146 ? 1.611 -16.092 12.726 1.00 28.93 ? 486 LYS A N 1 ATOM 1018 C CA . LYS A 1 146 ? 0.397 -15.635 13.472 1.00 27.73 ? 486 LYS A CA 1 ATOM 1019 C C . LYS A 1 146 ? -0.179 -14.395 12.791 1.00 26.21 ? 486 LYS A C 1 ATOM 1020 O O . LYS A 1 146 ? 0.595 -13.484 12.507 1.00 23.72 ? 486 LYS A O 1 ATOM 1021 C CB . LYS A 1 146 ? 0.828 -15.293 14.895 1.00 30.70 ? 486 LYS A CB 1 ATOM 1022 C CG . LYS A 1 146 ? -0.255 -14.719 15.772 1.00 34.11 ? 486 LYS A CG 1 ATOM 1023 C CD . LYS A 1 146 ? 0.226 -14.369 17.155 0.00 31.83 ? 486 LYS A CD 1 ATOM 1024 C CE . LYS A 1 146 ? 1.709 -14.008 17.168 0.00 32.10 ? 486 LYS A CE 1 ATOM 1025 N NZ . LYS A 1 146 ? 2.474 -13.778 18.527 1.00 27.79 ? 486 LYS A NZ 1 ATOM 1026 N N . MET A 1 147 ? -1.480 -14.371 12.550 1.00 25.71 ? 487 MET A N 1 ATOM 1027 C CA . MET A 1 147 ? -2.141 -13.243 11.917 1.00 26.35 ? 487 MET A CA 1 ATOM 1028 C C . MET A 1 147 ? -2.626 -12.241 12.946 1.00 26.50 ? 487 MET A C 1 ATOM 1029 O O . MET A 1 147 ? -3.303 -12.613 13.902 1.00 26.59 ? 487 MET A O 1 ATOM 1030 C CB . MET A 1 147 ? -3.333 -13.720 11.070 1.00 28.19 ? 487 MET A CB 1 ATOM 1031 C CG . MET A 1 147 ? -4.046 -12.600 10.336 1.00 30.93 ? 487 MET A CG 1 ATOM 1032 S SD . MET A 1 147 ? -5.477 -13.170 9.396 0.60 33.95 ? 487 MET A SD 1 ATOM 1033 C CE . MET A 1 147 ? -6.576 -13.671 10.704 0.60 33.33 ? 487 MET A CE 1 ATOM 1034 N N . LEU A 1 148 ? -2.286 -10.976 12.769 1.00 24.92 ? 488 LEU A N 1 ATOM 1035 C CA . LEU A 1 148 ? -2.706 -9.920 13.677 1.00 25.95 ? 488 LEU A CA 1 ATOM 1036 C C . LEU A 1 148 ? -3.854 -9.141 13.025 1.00 26.64 ? 488 LEU A C 1 ATOM 1037 O O . LEU A 1 148 ? -3.828 -8.955 11.812 1.00 27.91 ? 488 LEU A O 1 ATOM 1038 C CB . LEU A 1 148 ? -1.552 -8.973 13.979 1.00 25.46 ? 488 LEU A CB 1 ATOM 1039 C CG . LEU A 1 148 ? -0.219 -9.616 14.383 1.00 27.19 ? 488 LEU A CG 1 ATOM 1040 C CD1 . LEU A 1 148 ? 0.828 -8.541 14.625 1.00 27.25 ? 488 LEU A CD1 1 ATOM 1041 C CD2 . LEU A 1 148 ? -0.393 -10.490 15.610 1.00 27.60 ? 488 LEU A CD2 1 ATOM 1042 N N . THR A 1 149 ? -4.828 -8.737 13.803 1.00 24.78 ? 489 THR A N 1 ATOM 1043 C CA . THR A 1 149 ? -5.965 -7.987 13.297 1.00 24.44 ? 489 THR A CA 1 ATOM 1044 C C . THR A 1 149 ? -5.868 -6.545 13.783 1.00 23.57 ? 489 THR A C 1 ATOM 1045 O O . THR A 1 149 ? -5.691 -6.319 14.980 1.00 22.75 ? 489 THR A O 1 ATOM 1046 C CB . THR A 1 149 ? -7.298 -8.556 13.839 1.00 27.40 ? 489 THR A CB 1 ATOM 1047 O OG1 . THR A 1 149 ? -7.343 -9.966 13.629 1.00 29.91 ? 489 THR A OG1 1 ATOM 1048 C CG2 . THR A 1 149 ? -8.481 -7.892 13.164 1.00 28.99 ? 489 THR A CG2 1 ATOM 1049 N N . PRO A 1 150 ? -6.020 -5.593 12.885 1.00 21.58 ? 490 PRO A N 1 ATOM 1050 C CA . PRO A 1 150 ? -5.947 -4.198 13.221 1.00 20.84 ? 490 PRO A CA 1 ATOM 1051 C C . PRO A 1 150 ? -7.236 -3.669 13.819 1.00 21.05 ? 490 PRO A C 1 ATOM 1052 O O . PRO A 1 150 ? -8.337 -4.124 13.506 1.00 21.68 ? 490 PRO A O 1 ATOM 1053 C CB . PRO A 1 150 ? -5.755 -3.520 11.854 1.00 21.98 ? 490 PRO A CB 1 ATOM 1054 C CG . PRO A 1 150 ? -6.444 -4.435 10.908 1.00 21.55 ? 490 PRO A CG 1 ATOM 1055 C CD . PRO A 1 150 ? -6.225 -5.833 11.432 1.00 21.45 ? 490 PRO A CD 1 ATOM 1056 N N . GLU A 1 151 ? -7.081 -2.689 14.685 1.00 20.41 ? 491 GLU A N 1 ATOM 1057 C CA . GLU A 1 151 ? -8.153 -1.966 15.311 1.00 21.31 ? 491 GLU A CA 1 ATOM 1058 C C . GLU A 1 151 ? -8.298 -0.622 14.590 1.00 20.31 ? 491 GLU A C 1 ATOM 1059 O O . GLU A 1 151 ? -9.403 -0.194 14.265 1.00 20.26 ? 491 GLU A O 1 ATOM 1060 C CB . GLU A 1 151 ? -7.869 -1.713 16.795 1.00 24.06 ? 491 GLU A CB 1 ATOM 1061 C CG . GLU A 1 151 ? -8.969 -0.943 17.487 1.00 29.12 ? 491 GLU A CG 1 ATOM 1062 C CD . GLU A 1 151 ? -8.873 -0.982 18.991 1.00 34.15 ? 491 GLU A CD 1 ATOM 1063 O OE1 . GLU A 1 151 ? -8.413 0.019 19.580 1.00 37.11 ? 491 GLU A OE1 1 ATOM 1064 O OE2 . GLU A 1 151 ? -9.260 -1.994 19.607 1.00 37.45 ? 491 GLU A OE2 1 ATOM 1065 N N . HIS A 1 152 ? -7.180 0.059 14.365 1.00 19.24 ? 492 HIS A N 1 ATOM 1066 C CA . HIS A 1 152 ? -7.203 1.339 13.684 1.00 17.57 ? 492 HIS A CA 1 ATOM 1067 C C . HIS A 1 152 ? -5.822 1.681 13.123 1.00 17.59 ? 492 HIS A C 1 ATOM 1068 O O . HIS A 1 152 ? -4.816 1.286 13.710 1.00 17.17 ? 492 HIS A O 1 ATOM 1069 C CB . HIS A 1 152 ? -7.627 2.469 14.621 1.00 18.50 ? 492 HIS A CB 1 ATOM 1070 C CG . HIS A 1 152 ? -7.896 3.774 13.949 1.00 20.08 ? 492 HIS A CG 1 ATOM 1071 N ND1 . HIS A 1 152 ? -9.085 4.078 13.310 1.00 21.95 ? 492 HIS A ND1 1 ATOM 1072 C CD2 . HIS A 1 152 ? -7.119 4.858 13.819 1.00 19.00 ? 492 HIS A CD2 1 ATOM 1073 C CE1 . HIS A 1 152 ? -9.010 5.295 12.810 1.00 21.79 ? 492 HIS A CE1 1 ATOM 1074 N NE2 . HIS A 1 152 ? -7.823 5.806 13.111 1.00 20.91 ? 492 HIS A NE2 1 ATOM 1075 N N . VAL A 1 153 ? -5.800 2.383 12.007 1.00 15.68 ? 493 VAL A N 1 ATOM 1076 C CA . VAL A 1 153 ? -4.526 2.816 11.429 1.00 14.77 ? 493 VAL A CA 1 ATOM 1077 C C . VAL A 1 153 ? -4.372 4.310 11.601 1.00 15.19 ? 493 VAL A C 1 ATOM 1078 O O . VAL A 1 153 ? -5.256 5.100 11.211 1.00 17.44 ? 493 VAL A O 1 ATOM 1079 C CB . VAL A 1 153 ? -4.449 2.472 9.918 1.00 14.60 ? 493 VAL A CB 1 ATOM 1080 C CG1 . VAL A 1 153 ? -3.212 3.099 9.323 1.00 16.59 ? 493 VAL A CG1 1 ATOM 1081 C CG2 . VAL A 1 153 ? -4.418 0.956 9.767 1.00 15.03 ? 493 VAL A CG2 1 ATOM 1082 N N . PHE A 1 154 ? -3.291 4.775 12.228 1.00 14.28 ? 494 PHE A N 1 ATOM 1083 C CA . PHE A 1 154 ? -3.055 6.189 12.426 1.00 14.20 ? 494 PHE A CA 1 ATOM 1084 C C . PHE A 1 154 ? -1.959 6.678 11.483 1.00 15.41 ? 494 PHE A C 1 ATOM 1085 O O . PHE A 1 154 ? -0.790 6.331 11.655 1.00 15.30 ? 494 PHE A O 1 ATOM 1086 C CB . PHE A 1 154 ? -2.590 6.474 13.865 1.00 14.24 ? 494 PHE A CB 1 ATOM 1087 C CG . PHE A 1 154 ? -3.611 6.081 14.893 1.00 15.05 ? 494 PHE A CG 1 ATOM 1088 C CD1 . PHE A 1 154 ? -3.689 4.764 15.308 1.00 16.39 ? 494 PHE A CD1 1 ATOM 1089 C CD2 . PHE A 1 154 ? -4.466 7.021 15.425 1.00 17.78 ? 494 PHE A CD2 1 ATOM 1090 C CE1 . PHE A 1 154 ? -4.622 4.384 16.261 1.00 17.78 ? 494 PHE A CE1 1 ATOM 1091 C CE2 . PHE A 1 154 ? -5.398 6.647 16.377 1.00 18.24 ? 494 PHE A CE2 1 ATOM 1092 C CZ . PHE A 1 154 ? -5.477 5.333 16.774 1.00 15.72 ? 494 PHE A CZ 1 ATOM 1093 N N . ILE A 1 155 ? -2.357 7.482 10.489 1.00 14.92 ? 495 ILE A N 1 ATOM 1094 C CA . ILE A 1 155 ? -1.313 7.962 9.567 1.00 15.38 ? 495 ILE A CA 1 ATOM 1095 C C . ILE A 1 155 ? -0.817 9.310 10.034 1.00 13.80 ? 495 ILE A C 1 ATOM 1096 O O . ILE A 1 155 ? -1.621 10.136 10.484 1.00 14.80 ? 495 ILE A O 1 ATOM 1097 C CB . ILE A 1 155 ? -1.911 8.048 8.154 1.00 18.51 ? 495 ILE A CB 1 ATOM 1098 C CG1 . ILE A 1 155 ? -2.275 6.618 7.723 1.00 20.06 ? 495 ILE A CG1 1 ATOM 1099 C CG2 . ILE A 1 155 ? -0.928 8.708 7.202 1.00 17.01 ? 495 ILE A CG2 1 ATOM 1100 C CD1 . ILE A 1 155 ? -2.853 6.495 6.344 1.00 24.45 ? 495 ILE A CD1 1 ATOM 1101 N N . HIS A 1 156 ? 0.486 9.536 9.928 1.00 13.67 ? 496 HIS A N 1 ATOM 1102 C CA . HIS A 1 156 ? 0.996 10.844 10.372 1.00 14.74 ? 496 HIS A CA 1 ATOM 1103 C C . HIS A 1 156 ? 0.317 11.948 9.592 1.00 14.42 ? 496 HIS A C 1 ATOM 1104 O O . HIS A 1 156 ? 0.165 11.851 8.368 1.00 13.15 ? 496 HIS A O 1 ATOM 1105 C CB . HIS A 1 156 ? 2.522 10.865 10.213 1.00 15.13 ? 496 HIS A CB 1 ATOM 1106 C CG . HIS A 1 156 ? 3.113 12.117 10.789 1.00 16.79 ? 496 HIS A CG 1 ATOM 1107 N ND1 . HIS A 1 156 ? 3.649 12.175 12.066 1.00 17.07 ? 496 HIS A ND1 1 ATOM 1108 C CD2 . HIS A 1 156 ? 3.205 13.358 10.277 1.00 12.73 ? 496 HIS A CD2 1 ATOM 1109 C CE1 . HIS A 1 156 ? 4.051 13.410 12.308 1.00 13.18 ? 496 HIS A CE1 1 ATOM 1110 N NE2 . HIS A 1 156 ? 3.787 14.150 11.236 1.00 18.87 ? 496 HIS A NE2 1 ATOM 1111 N N . PRO A 1 157 ? -0.086 13.039 10.225 1.00 14.66 ? 497 PRO A N 1 ATOM 1112 C CA . PRO A 1 157 ? -0.768 14.139 9.566 1.00 14.52 ? 497 PRO A CA 1 ATOM 1113 C C . PRO A 1 157 ? 0.031 14.892 8.561 1.00 15.02 ? 497 PRO A C 1 ATOM 1114 O O . PRO A 1 157 ? -0.546 15.653 7.755 1.00 16.29 ? 497 PRO A O 1 ATOM 1115 C CB . PRO A 1 157 ? -1.269 15.017 10.707 1.00 16.80 ? 497 PRO A CB 1 ATOM 1116 C CG . PRO A 1 157 ? -0.291 14.742 11.797 1.00 16.82 ? 497 PRO A CG 1 ATOM 1117 C CD . PRO A 1 157 ? 0.008 13.259 11.690 1.00 16.54 ? 497 PRO A CD 1 ATOM 1118 N N . GLY A 1 158 ? 1.352 14.755 8.508 1.00 13.27 ? 498 GLY A N 1 ATOM 1119 C CA . GLY A 1 158 ? 2.206 15.384 7.539 1.00 14.93 ? 498 GLY A CA 1 ATOM 1120 C C . GLY A 1 158 ? 2.329 14.528 6.272 1.00 14.35 ? 498 GLY A C 1 ATOM 1121 O O . GLY A 1 158 ? 3.064 14.956 5.368 1.00 15.63 ? 498 GLY A O 1 ATOM 1122 N N . TRP A 1 159 ? 1.714 13.373 6.221 1.00 13.85 ? 499 TRP A N 1 ATOM 1123 C CA . TRP A 1 159 ? 1.779 12.528 5.023 1.00 15.04 ? 499 TRP A CA 1 ATOM 1124 C C . TRP A 1 159 ? 0.822 13.097 3.965 1.00 16.10 ? 499 TRP A C 1 ATOM 1125 O O . TRP A 1 159 ? -0.355 13.306 4.228 1.00 15.79 ? 499 TRP A O 1 ATOM 1126 C CB . TRP A 1 159 ? 1.351 11.105 5.301 1.00 15.12 ? 499 TRP A CB 1 ATOM 1127 C CG . TRP A 1 159 ? 1.300 10.171 4.133 1.00 11.99 ? 499 TRP A CG 1 ATOM 1128 C CD1 . TRP A 1 159 ? 0.200 9.589 3.593 1.00 13.73 ? 499 TRP A CD1 1 ATOM 1129 C CD2 . TRP A 1 159 ? 2.420 9.695 3.390 1.00 12.48 ? 499 TRP A CD2 1 ATOM 1130 N NE1 . TRP A 1 159 ? 0.557 8.749 2.561 1.00 14.93 ? 499 TRP A NE1 1 ATOM 1131 C CE2 . TRP A 1 159 ? 1.917 8.805 2.420 1.00 13.87 ? 499 TRP A CE2 1 ATOM 1132 C CE3 . TRP A 1 159 ? 3.786 9.916 3.464 1.00 11.68 ? 499 TRP A CE3 1 ATOM 1133 C CZ2 . TRP A 1 159 ? 2.754 8.148 1.528 1.00 13.82 ? 499 TRP A CZ2 1 ATOM 1134 C CZ3 . TRP A 1 159 ? 4.631 9.276 2.573 1.00 13.70 ? 499 TRP A CZ3 1 ATOM 1135 C CH2 . TRP A 1 159 ? 4.096 8.391 1.624 1.00 12.96 ? 499 TRP A CH2 1 ATOM 1136 N N . LYS A 1 160 ? 1.366 13.302 2.767 1.00 16.35 ? 500 LYS A N 1 ATOM 1137 C CA . LYS A 1 160 ? 0.501 13.818 1.696 1.00 18.35 ? 500 LYS A CA 1 ATOM 1138 C C . LYS A 1 160 ? -0.336 12.706 1.095 1.00 20.21 ? 500 LYS A C 1 ATOM 1139 O O . LYS A 1 160 ? 0.195 11.797 0.476 1.00 18.73 ? 500 LYS A O 1 ATOM 1140 C CB . LYS A 1 160 ? 1.403 14.431 0.608 1.00 21.84 ? 500 LYS A CB 1 ATOM 1141 C CG . LYS A 1 160 ? 0.546 15.065 -0.499 1.00 25.39 ? 500 LYS A CG 1 ATOM 1142 C CD . LYS A 1 160 ? 1.320 16.162 -1.198 1.00 31.97 ? 500 LYS A CD 1 ATOM 1143 C CE . LYS A 1 160 ? 0.439 16.869 -2.225 1.00 34.93 ? 500 LYS A CE 1 ATOM 1144 N NZ . LYS A 1 160 ? -0.905 17.166 -1.662 1.00 37.76 ? 500 LYS A NZ 1 ATOM 1145 N N . LEU A 1 161 ? -1.663 12.758 1.258 1.00 22.11 ? 501 LEU A N 1 ATOM 1146 C CA . LEU A 1 161 ? -2.503 11.722 0.640 1.00 24.55 ? 501 LEU A CA 1 ATOM 1147 C C . LEU A 1 161 ? -2.667 12.101 -0.825 1.00 26.18 ? 501 LEU A C 1 ATOM 1148 O O . LEU A 1 161 ? -2.733 13.294 -1.135 1.00 27.19 ? 501 LEU A O 1 ATOM 1149 C CB . LEU A 1 161 ? -3.846 11.598 1.325 1.00 27.07 ? 501 LEU A CB 1 ATOM 1150 C CG . LEU A 1 161 ? -3.795 10.988 2.729 1.00 27.93 ? 501 LEU A CG 1 ATOM 1151 C CD1 . LEU A 1 161 ? -5.143 11.169 3.406 1.00 31.31 ? 501 LEU A CD1 1 ATOM 1152 C CD2 . LEU A 1 161 ? -3.400 9.525 2.672 1.00 27.77 ? 501 LEU A CD2 1 ATOM 1153 N N . LEU A 1 162 ? -2.668 11.111 -1.699 1.00 27.26 ? 502 LEU A N 1 ATOM 1154 C CA . LEU A 1 162 ? -2.782 11.437 -3.122 1.00 29.59 ? 502 LEU A CA 1 ATOM 1155 C C . LEU A 1 162 ? -3.954 10.694 -3.761 1.00 32.24 ? 502 LEU A C 1 ATOM 1156 O O . LEU A 1 162 ? -4.310 9.604 -3.335 1.00 32.65 ? 502 LEU A O 1 ATOM 1157 C CB . LEU A 1 162 ? -1.498 10.987 -3.829 1.00 26.57 ? 502 LEU A CB 1 ATOM 1158 C CG . LEU A 1 162 ? -0.214 11.759 -3.547 1.00 23.99 ? 502 LEU A CG 1 ATOM 1159 C CD1 . LEU A 1 162 ? 0.978 11.087 -4.207 1.00 24.56 ? 502 LEU A CD1 1 ATOM 1160 C CD2 . LEU A 1 162 ? -0.332 13.210 -3.959 1.00 26.71 ? 502 LEU A CD2 1 ATOM 1161 N N . ALA A 1 163 ? -4.490 11.291 -4.819 1.00 36.11 ? 503 ALA A N 1 ATOM 1162 C CA . ALA A 1 163 ? -5.574 10.633 -5.568 1.00 39.00 ? 503 ALA A CA 1 ATOM 1163 C C . ALA A 1 163 ? -4.941 9.469 -6.330 1.00 40.21 ? 503 ALA A C 1 ATOM 1164 O O . ALA A 1 163 ? -5.483 8.367 -6.382 1.00 42.28 ? 503 ALA A O 1 ATOM 1165 C CB . ALA A 1 163 ? -6.237 11.613 -6.508 1.00 39.87 ? 503 ALA A CB 1 ATOM 1166 N N . VAL A 1 164 ? -3.762 9.707 -6.891 1.00 40.48 ? 504 VAL A N 1 ATOM 1167 C CA . VAL A 1 164 ? -3.024 8.689 -7.620 1.00 40.67 ? 504 VAL A CA 1 ATOM 1168 C C . VAL A 1 164 ? -1.675 8.423 -6.949 1.00 39.76 ? 504 VAL A C 1 ATOM 1169 O O . VAL A 1 164 ? -0.663 9.043 -7.274 1.00 39.99 ? 504 VAL A O 1 ATOM 1170 C CB . VAL A 1 164 ? -2.784 9.074 -9.082 1.00 40.54 ? 504 VAL A CB 1 ATOM 1171 C CG1 . VAL A 1 164 ? -2.133 7.915 -9.825 1.00 41.44 ? 504 VAL A CG1 1 ATOM 1172 C CG2 . VAL A 1 164 ? -4.075 9.474 -9.777 1.00 41.32 ? 504 VAL A CG2 1 ATOM 1173 N N . PRO A 1 165 ? -1.642 7.477 -6.027 1.00 39.52 ? 505 PRO A N 1 ATOM 1174 C CA . PRO A 1 165 ? -0.458 7.114 -5.274 1.00 38.79 ? 505 PRO A CA 1 ATOM 1175 C C . PRO A 1 165 ? 0.707 6.622 -6.081 1.00 38.04 ? 505 PRO A C 1 ATOM 1176 O O . PRO A 1 165 ? 1.870 6.819 -5.695 1.00 37.56 ? 505 PRO A O 1 ATOM 1177 C CB . PRO A 1 165 ? -0.939 6.084 -4.278 1.00 39.16 ? 505 PRO A CB 1 ATOM 1178 C CG . PRO A 1 165 ? -2.195 5.536 -4.859 1.00 40.00 ? 505 PRO A CG 1 ATOM 1179 C CD . PRO A 1 165 ? -2.826 6.691 -5.590 1.00 40.08 ? 505 PRO A CD 1 ATOM 1180 N N . GLU A 1 166 ? 0.437 5.959 -7.203 1.00 36.68 ? 506 GLU A N 1 ATOM 1181 C CA . GLU A 1 166 ? 1.576 5.542 -8.049 1.00 36.52 ? 506 GLU A CA 1 ATOM 1182 C C . GLU A 1 166 ? 2.144 6.872 -8.542 1.00 35.99 ? 506 GLU A C 1 ATOM 1183 O O . GLU A 1 166 ? 1.361 7.836 -8.622 1.00 37.50 ? 506 GLU A O 1 ATOM 1184 C CB . GLU A 1 166 ? 1.049 4.706 -9.206 1.00 37.25 ? 506 GLU A CB 1 ATOM 1185 C CG . GLU A 1 166 ? 0.487 3.332 -8.768 0.00 43.07 ? 506 GLU A CG 1 ATOM 1186 C CD . GLU A 1 166 ? -1.004 3.355 -8.497 0.00 45.30 ? 506 GLU A CD 1 ATOM 1187 O OE1 . GLU A 1 166 ? -1.624 4.426 -8.671 0.00 46.50 ? 506 GLU A OE1 1 ATOM 1188 O OE2 . GLU A 1 166 ? -1.553 2.303 -8.109 0.00 46.04 ? 506 GLU A OE2 1 ATOM 1189 N N . GLY A 1 167 ? 3.430 7.012 -8.798 1.00 35.36 ? 507 GLY A N 1 ATOM 1190 C CA . GLY A 1 167 ? 3.910 8.324 -9.247 1.00 33.39 ? 507 GLY A CA 1 ATOM 1191 C C . GLY A 1 167 ? 4.139 9.314 -8.132 1.00 31.14 ? 507 GLY A C 1 ATOM 1192 O O . GLY A 1 167 ? 4.493 10.478 -8.374 1.00 31.67 ? 507 GLY A O 1 ATOM 1193 N N . ARG A 1 168 ? 3.957 8.915 -6.876 1.00 28.24 ? 508 ARG A N 1 ATOM 1194 C CA . ARG A 1 168 ? 4.222 9.844 -5.779 1.00 24.33 ? 508 ARG A CA 1 ATOM 1195 C C . ARG A 1 168 ? 5.684 10.294 -5.859 1.00 23.93 ? 508 ARG A C 1 ATOM 1196 O O . ARG A 1 168 ? 6.560 9.480 -6.131 1.00 24.14 ? 508 ARG A O 1 ATOM 1197 C CB . ARG A 1 168 ? 4.064 9.079 -4.447 1.00 21.26 ? 508 ARG A CB 1 ATOM 1198 C CG . ARG A 1 168 ? 4.643 9.809 -3.253 1.00 18.51 ? 508 ARG A CG 1 ATOM 1199 C CD . ARG A 1 168 ? 4.391 9.037 -1.957 1.00 15.60 ? 508 ARG A CD 1 ATOM 1200 N NE . ARG A 1 168 ? 2.966 8.838 -1.700 1.00 15.82 ? 508 ARG A NE 1 ATOM 1201 C CZ . ARG A 1 168 ? 2.150 9.722 -1.152 1.00 14.82 ? 508 ARG A CZ 1 ATOM 1202 N NH1 . ARG A 1 168 ? 2.566 10.924 -0.782 1.00 15.93 ? 508 ARG A NH1 1 ATOM 1203 N NH2 . ARG A 1 168 ? 0.878 9.368 -0.943 1.00 17.44 ? 508 ARG A NH2 1 ATOM 1204 N N . THR A 1 169 ? 5.950 11.562 -5.570 1.00 22.86 ? 509 THR A N 1 ATOM 1205 C CA . THR A 1 169 ? 7.315 12.060 -5.539 1.00 23.11 ? 509 THR A CA 1 ATOM 1206 C C . THR A 1 169 ? 7.627 12.690 -4.183 1.00 23.59 ? 509 THR A C 1 ATOM 1207 O O . THR A 1 169 ? 8.751 13.140 -3.965 1.00 23.59 ? 509 THR A O 1 ATOM 1208 C CB . THR A 1 169 ? 7.584 13.095 -6.640 1.00 26.11 ? 509 THR A CB 1 ATOM 1209 O OG1 . THR A 1 169 ? 6.535 14.067 -6.610 1.00 28.79 ? 509 THR A OG1 1 ATOM 1210 C CG2 . THR A 1 169 ? 7.603 12.396 -7.988 1.00 25.85 ? 509 THR A CG2 1 ATOM 1211 N N . ASN A 1 170 ? 6.625 12.703 -3.300 1.00 21.93 ? 510 ASN A N 1 ATOM 1212 C CA . ASN A 1 170 ? 6.849 13.304 -1.984 1.00 20.98 ? 510 ASN A CA 1 ATOM 1213 C C . ASN A 1 170 ? 6.539 12.283 -0.889 1.00 18.51 ? 510 ASN A C 1 ATOM 1214 O O . ASN A 1 170 ? 5.386 12.050 -0.550 1.00 18.18 ? 510 ASN A O 1 ATOM 1215 C CB . ASN A 1 170 ? 5.986 14.556 -1.820 1.00 23.24 ? 510 ASN A CB 1 ATOM 1216 C CG . ASN A 1 170 ? 6.179 15.236 -0.486 1.00 25.35 ? 510 ASN A CG 1 ATOM 1217 O OD1 . ASN A 1 170 ? 6.913 14.752 0.368 1.00 25.34 ? 510 ASN A OD1 1 ATOM 1218 N ND2 . ASN A 1 170 ? 5.523 16.379 -0.287 1.00 26.25 ? 510 ASN A ND2 1 ATOM 1219 N N . PHE A 1 171 ? 7.607 11.685 -0.371 1.00 16.97 ? 511 PHE A N 1 ATOM 1220 C CA . PHE A 1 171 ? 7.511 10.686 0.669 1.00 15.62 ? 511 PHE A CA 1 ATOM 1221 C C . PHE A 1 171 ? 7.789 11.299 2.043 1.00 14.63 ? 511 PHE A C 1 ATOM 1222 O O . PHE A 1 171 ? 8.070 10.543 2.979 1.00 15.64 ? 511 PHE A O 1 ATOM 1223 C CB . PHE A 1 171 ? 8.468 9.521 0.424 1.00 15.63 ? 511 PHE A CB 1 ATOM 1224 C CG . PHE A 1 171 ? 8.037 8.607 -0.689 1.00 16.16 ? 511 PHE A CG 1 ATOM 1225 C CD1 . PHE A 1 171 ? 8.315 8.950 -2.003 1.00 18.44 ? 511 PHE A CD1 1 ATOM 1226 C CD2 . PHE A 1 171 ? 7.374 7.427 -0.441 1.00 16.23 ? 511 PHE A CD2 1 ATOM 1227 C CE1 . PHE A 1 171 ? 7.908 8.104 -3.020 1.00 17.33 ? 511 PHE A CE1 1 ATOM 1228 C CE2 . PHE A 1 171 ? 6.971 6.583 -1.448 1.00 18.89 ? 511 PHE A CE2 1 ATOM 1229 C CZ . PHE A 1 171 ? 7.238 6.944 -2.756 1.00 18.43 ? 511 PHE A CZ 1 ATOM 1230 N N . ASP A 1 172 ? 7.721 12.607 2.195 1.00 13.82 ? 512 ASP A N 1 ATOM 1231 C CA . ASP A 1 172 ? 7.967 13.181 3.537 1.00 15.46 ? 512 ASP A CA 1 ATOM 1232 C C . ASP A 1 172 ? 6.966 12.649 4.539 1.00 14.68 ? 512 ASP A C 1 ATOM 1233 O O . ASP A 1 172 ? 5.796 12.407 4.237 1.00 13.17 ? 512 ASP A O 1 ATOM 1234 C CB . ASP A 1 172 ? 7.909 14.699 3.474 1.00 15.97 ? 512 ASP A CB 1 ATOM 1235 C CG . ASP A 1 172 ? 8.509 15.416 4.658 1.00 20.31 ? 512 ASP A CG 1 ATOM 1236 O OD1 . ASP A 1 172 ? 9.350 14.847 5.407 1.00 20.62 ? 512 ASP A OD1 1 ATOM 1237 O OD2 . ASP A 1 172 ? 8.141 16.600 4.837 1.00 19.86 ? 512 ASP A OD2 1 ATOM 1238 N N . ASN A 1 173 ? 7.411 12.442 5.789 1.00 14.26 ? 513 ASN A N 1 ATOM 1239 C CA . ASN A 1 173 ? 6.561 11.979 6.858 1.00 14.15 ? 513 ASN A CA 1 ATOM 1240 C C . ASN A 1 173 ? 5.923 10.631 6.599 1.00 12.77 ? 513 ASN A C 1 ATOM 1241 O O . ASN A 1 173 ? 4.745 10.407 6.913 1.00 13.14 ? 513 ASN A O 1 ATOM 1242 C CB . ASN A 1 173 ? 5.450 13.009 7.160 1.00 14.03 ? 513 ASN A CB 1 ATOM 1243 C CG . ASN A 1 173 ? 6.008 14.386 7.446 1.00 16.21 ? 513 ASN A CG 1 ATOM 1244 O OD1 . ASN A 1 173 ? 6.894 14.563 8.276 1.00 16.54 ? 513 ASN A OD1 1 ATOM 1245 N ND2 . ASN A 1 173 ? 5.511 15.405 6.746 1.00 13.81 ? 513 ASN A ND2 1 ATOM 1246 N N . ASP A 1 174 ? 6.707 9.713 6.042 1.00 12.38 ? 514 ASP A N 1 ATOM 1247 C CA . ASP A 1 174 ? 6.226 8.384 5.712 1.00 12.32 ? 514 ASP A CA 1 ATOM 1248 C C . ASP A 1 174 ? 6.241 7.466 6.926 1.00 12.87 ? 514 ASP A C 1 ATOM 1249 O O . ASP A 1 174 ? 7.110 6.617 7.104 1.00 13.37 ? 514 ASP A O 1 ATOM 1250 C CB . ASP A 1 174 ? 7.067 7.797 4.593 1.00 12.71 ? 514 ASP A CB 1 ATOM 1251 C CG . ASP A 1 174 ? 6.429 6.625 3.909 1.00 14.91 ? 514 ASP A CG 1 ATOM 1252 O OD1 . ASP A 1 174 ? 5.273 6.255 4.199 1.00 13.13 ? 514 ASP A OD1 1 ATOM 1253 O OD2 . ASP A 1 174 ? 7.098 6.049 3.008 1.00 16.20 ? 514 ASP A OD2 1 ATOM 1254 N N . ILE A 1 175 ? 5.206 7.645 7.740 1.00 11.41 ? 515 ILE A N 1 ATOM 1255 C CA . ILE A 1 175 ? 5.139 6.848 8.971 1.00 11.60 ? 515 ILE A CA 1 ATOM 1256 C C . ILE A 1 175 ? 3.694 6.725 9.420 1.00 11.18 ? 515 ILE A C 1 ATOM 1257 O O . ILE A 1 175 ? 2.878 7.635 9.243 1.00 11.44 ? 515 ILE A O 1 ATOM 1258 C CB . ILE A 1 175 ? 6.044 7.492 10.019 1.00 13.10 ? 515 ILE A CB 1 ATOM 1259 C CG1 . ILE A 1 175 ? 6.163 6.595 11.272 1.00 13.97 ? 515 ILE A CG1 1 ATOM 1260 C CG2 . ILE A 1 175 ? 5.600 8.889 10.420 1.00 13.53 ? 515 ILE A CG2 1 ATOM 1261 C CD1 . ILE A 1 175 ? 7.364 7.042 12.127 1.00 16.25 ? 515 ILE A CD1 1 ATOM 1262 N N . ALA A 1 176 ? 3.362 5.566 9.952 1.00 11.57 ? 516 ALA A N 1 ATOM 1263 C CA . ALA A 1 176 ? 2.019 5.300 10.436 1.00 11.99 ? 516 ALA A CA 1 ATOM 1264 C C . ALA A 1 176 ? 2.129 4.295 11.583 1.00 12.58 ? 516 ALA A C 1 ATOM 1265 O O . ALA A 1 176 ? 3.084 3.551 11.689 1.00 12.71 ? 516 ALA A O 1 ATOM 1266 C CB . ALA A 1 176 ? 1.168 4.621 9.345 1.00 11.27 ? 516 ALA A CB 1 ATOM 1267 N N . LEU A 1 177 ? 1.085 4.294 12.395 1.00 12.22 ? 517 LEU A N 1 ATOM 1268 C CA . LEU A 1 177 ? 1.038 3.312 13.475 1.00 13.29 ? 517 LEU A CA 1 ATOM 1269 C C . LEU A 1 177 ? -0.233 2.486 13.269 1.00 13.61 ? 517 LEU A C 1 ATOM 1270 O O . LEU A 1 177 ? -1.237 3.066 12.804 1.00 15.12 ? 517 LEU A O 1 ATOM 1271 C CB . LEU A 1 177 ? 0.889 4.060 14.805 1.00 14.11 ? 517 LEU A CB 1 ATOM 1272 C CG . LEU A 1 177 ? 2.200 4.551 15.434 1.00 16.25 ? 517 LEU A CG 1 ATOM 1273 C CD1 . LEU A 1 177 ? 1.891 5.596 16.500 1.00 17.45 ? 517 LEU A CD1 1 ATOM 1274 C CD2 . LEU A 1 177 ? 2.953 3.362 16.038 1.00 14.46 ? 517 LEU A CD2 1 ATOM 1275 N N . VAL A 1 178 ? -0.163 1.224 13.580 1.00 12.83 ? 518 VAL A N 1 ATOM 1276 C CA . VAL A 1 178 ? -1.316 0.348 13.515 1.00 13.50 ? 518 VAL A CA 1 ATOM 1277 C C . VAL A 1 178 ? -1.599 -0.161 14.929 1.00 14.45 ? 518 VAL A C 1 ATOM 1278 O O . VAL A 1 178 ? -0.724 -0.811 15.508 1.00 14.05 ? 518 VAL A O 1 ATOM 1279 C CB . VAL A 1 178 ? -1.153 -0.826 12.569 1.00 15.85 ? 518 VAL A CB 1 ATOM 1280 C CG1 . VAL A 1 178 ? -2.467 -1.604 12.445 1.00 17.86 ? 518 VAL A CG1 1 ATOM 1281 C CG2 . VAL A 1 178 ? -0.710 -0.359 11.188 1.00 16.26 ? 518 VAL A CG2 1 ATOM 1282 N N . ARG A 1 179 ? -2.771 0.169 15.437 1.00 15.75 ? 519 ARG A N 1 ATOM 1283 C CA . ARG A 1 179 ? -3.133 -0.356 16.759 1.00 17.27 ? 519 ARG A CA 1 ATOM 1284 C C . ARG A 1 179 ? -3.789 -1.714 16.535 1.00 18.68 ? 519 ARG A C 1 ATOM 1285 O O . ARG A 1 179 ? -4.655 -1.835 15.650 1.00 19.16 ? 519 ARG A O 1 ATOM 1286 C CB . ARG A 1 179 ? -4.134 0.565 17.487 1.00 20.76 ? 519 ARG A CB 1 ATOM 1287 C CG . ARG A 1 179 ? -4.542 -0.111 18.786 1.00 24.85 ? 519 ARG A CG 1 ATOM 1288 C CD . ARG A 1 179 ? -5.214 0.735 19.831 1.00 30.36 ? 519 ARG A CD 1 ATOM 1289 N NE . ARG A 1 179 ? -5.521 -0.162 20.958 1.00 32.91 ? 519 ARG A NE 1 ATOM 1290 C CZ . ARG A 1 179 ? -4.863 -0.326 22.079 1.00 33.19 ? 519 ARG A CZ 1 ATOM 1291 N NH1 . ARG A 1 179 ? -3.786 0.378 22.398 1.00 34.41 ? 519 ARG A NH1 1 ATOM 1292 N NH2 . ARG A 1 179 ? -5.292 -1.234 22.949 1.00 32.71 ? 519 ARG A NH2 1 ATOM 1293 N N . LEU A 1 180 ? -3.423 -2.723 17.296 1.00 17.52 ? 520 LEU A N 1 ATOM 1294 C CA . LEU A 1 180 ? -3.964 -4.063 17.157 1.00 18.47 ? 520 LEU A CA 1 ATOM 1295 C C . LEU A 1 180 ? -5.161 -4.309 18.071 1.00 20.92 ? 520 LEU A C 1 ATOM 1296 O O . LEU A 1 180 ? -5.261 -3.651 19.099 1.00 20.94 ? 520 LEU A O 1 ATOM 1297 C CB . LEU A 1 180 ? -2.885 -5.101 17.471 1.00 17.33 ? 520 LEU A CB 1 ATOM 1298 C CG . LEU A 1 180 ? -1.567 -4.902 16.698 1.00 18.09 ? 520 LEU A CG 1 ATOM 1299 C CD1 . LEU A 1 180 ? -0.524 -5.888 17.203 1.00 18.07 ? 520 LEU A CD1 1 ATOM 1300 C CD2 . LEU A 1 180 ? -1.829 -5.114 15.211 1.00 18.67 ? 520 LEU A CD2 1 ATOM 1301 N N . LYS A 1 181 ? -6.015 -5.241 17.679 1.00 23.18 ? 521 LYS A N 1 ATOM 1302 C CA . LYS A 1 181 ? -7.196 -5.566 18.459 1.00 26.46 ? 521 LYS A CA 1 ATOM 1303 C C . LYS A 1 181 ? -6.837 -6.332 19.725 1.00 27.08 ? 521 LYS A C 1 ATOM 1304 O O . LYS A 1 181 ? -7.405 -6.093 20.778 1.00 28.56 ? 521 LYS A O 1 ATOM 1305 C CB . LYS A 1 181 ? -8.135 -6.464 17.630 1.00 29.39 ? 521 LYS A CB 1 ATOM 1306 C CG . LYS A 1 181 ? -9.023 -5.679 16.676 1.00 31.94 ? 521 LYS A CG 1 ATOM 1307 C CD . LYS A 1 181 ? -10.216 -6.539 16.252 1.00 34.92 ? 521 LYS A CD 1 ATOM 1308 C CE . LYS A 1 181 ? -11.287 -5.687 15.525 0.00 34.16 ? 521 LYS A CE 1 ATOM 1309 N NZ . LYS A 1 181 ? -11.941 -6.802 14.765 0.00 35.15 ? 521 LYS A NZ 1 ATOM 1310 N N . ASP A 1 182 ? -5.930 -7.283 19.598 1.00 26.31 ? 522 ASP A N 1 ATOM 1311 C CA . ASP A 1 182 ? -5.507 -8.129 20.701 1.00 27.10 ? 522 ASP A CA 1 ATOM 1312 C C . ASP A 1 182 ? -4.007 -7.991 20.931 1.00 26.41 ? 522 ASP A C 1 ATOM 1313 O O . ASP A 1 182 ? -3.268 -7.684 20.007 1.00 24.45 ? 522 ASP A O 1 ATOM 1314 C CB . ASP A 1 182 ? -5.816 -9.592 20.353 1.00 31.46 ? 522 ASP A CB 1 ATOM 1315 C CG . ASP A 1 182 ? -7.300 -9.859 20.191 1.00 36.46 ? 522 ASP A CG 1 ATOM 1316 O OD1 . ASP A 1 182 ? -8.088 -9.378 21.028 1.00 39.54 ? 522 ASP A OD1 1 ATOM 1317 O OD2 . ASP A 1 182 ? -7.675 -10.533 19.215 1.00 39.60 ? 522 ASP A OD2 1 ATOM 1318 N N . PRO A 1 183 ? -3.557 -8.216 22.154 1.00 25.10 ? 523 PRO A N 1 ATOM 1319 C CA . PRO A 1 183 ? -2.146 -8.131 22.482 1.00 24.28 ? 523 PRO A CA 1 ATOM 1320 C C . PRO A 1 183 ? -1.377 -9.250 21.817 1.00 23.19 ? 523 PRO A C 1 ATOM 1321 O O . PRO A 1 183 ? -1.823 -10.403 21.726 1.00 24.10 ? 523 PRO A O 1 ATOM 1322 C CB . PRO A 1 183 ? -2.105 -8.246 23.998 1.00 24.89 ? 523 PRO A CB 1 ATOM 1323 C CG . PRO A 1 183 ? -3.373 -8.921 24.369 1.00 25.32 ? 523 PRO A CG 1 ATOM 1324 C CD . PRO A 1 183 ? -4.389 -8.586 23.314 1.00 25.79 ? 523 PRO A CD 1 ATOM 1325 N N . VAL A 1 184 ? -0.192 -8.936 21.296 1.00 22.14 ? 524 VAL A N 1 ATOM 1326 C CA . VAL A 1 184 ? 0.618 -9.949 20.638 1.00 21.03 ? 524 VAL A CA 1 ATOM 1327 C C . VAL A 1 184 ? 1.418 -10.740 21.681 1.00 21.59 ? 524 VAL A C 1 ATOM 1328 O O . VAL A 1 184 ? 2.051 -10.108 22.520 1.00 21.74 ? 524 VAL A O 1 ATOM 1329 C CB . VAL A 1 184 ? 1.649 -9.242 19.715 1.00 21.33 ? 524 VAL A CB 1 ATOM 1330 C CG1 . VAL A 1 184 ? 2.630 -10.255 19.155 1.00 22.71 ? 524 VAL A CG1 1 ATOM 1331 C CG2 . VAL A 1 184 ? 0.890 -8.537 18.612 1.00 22.50 ? 524 VAL A CG2 1 ATOM 1332 N N . LYS A 1 185 ? 1.389 -12.053 21.591 1.00 20.86 ? 525 LYS A N 1 ATOM 1333 C CA . LYS A 1 185 ? 2.160 -12.889 22.518 1.00 21.96 ? 525 LYS A CA 1 ATOM 1334 C C . LYS A 1 185 ? 3.613 -12.936 22.073 1.00 22.57 ? 525 LYS A C 1 ATOM 1335 O O . LYS A 1 185 ? 3.888 -13.288 20.922 1.00 23.36 ? 525 LYS A O 1 ATOM 1336 C CB . LYS A 1 185 ? 1.569 -14.299 22.536 1.00 24.59 ? 525 LYS A CB 1 ATOM 1337 C CG . LYS A 1 185 ? 2.402 -15.290 23.346 1.00 28.91 ? 525 LYS A CG 1 ATOM 1338 C CD . LYS A 1 185 ? 2.332 -14.918 24.818 1.00 31.86 ? 525 LYS A CD 1 ATOM 1339 C CE . LYS A 1 185 ? 3.290 -15.769 25.640 1.00 35.12 ? 525 LYS A CE 1 ATOM 1340 N NZ . LYS A 1 185 ? 3.119 -15.473 27.095 1.00 36.24 ? 525 LYS A NZ 1 ATOM 1341 N N . MET A 1 186 ? 4.543 -12.584 22.949 1.00 20.64 ? 526 MET A N 1 ATOM 1342 C CA . MET A 1 186 ? 5.954 -12.570 22.618 1.00 20.36 ? 526 MET A CA 1 ATOM 1343 C C . MET A 1 186 ? 6.606 -13.926 22.802 1.00 22.39 ? 526 MET A C 1 ATOM 1344 O O . MET A 1 186 ? 6.200 -14.721 23.641 1.00 23.52 ? 526 MET A O 1 ATOM 1345 C CB . MET A 1 186 ? 6.721 -11.503 23.384 1.00 21.27 ? 526 MET A CB 1 ATOM 1346 C CG . MET A 1 186 ? 6.114 -10.116 23.347 1.00 21.51 ? 526 MET A CG 1 ATOM 1347 S SD . MET A 1 186 ? 5.816 -9.539 21.656 1.00 19.55 ? 526 MET A SD 1 ATOM 1348 C CE . MET A 1 186 ? 4.857 -8.068 21.983 1.00 18.70 ? 526 MET A CE 1 ATOM 1349 N N . GLY A 1 187 ? 7.641 -14.191 22.022 1.00 21.93 ? 527 GLY A N 1 ATOM 1350 C CA . GLY A 1 187 ? 8.342 -15.460 22.076 1.00 22.29 ? 527 GLY A CA 1 ATOM 1351 C C . GLY A 1 187 ? 9.610 -15.392 21.260 1.00 23.55 ? 527 GLY A C 1 ATOM 1352 O O . GLY A 1 187 ? 10.077 -14.327 20.860 1.00 22.58 ? 527 GLY A O 1 ATOM 1353 N N . PRO A 1 188 ? 10.218 -16.548 21.003 1.00 24.57 ? 528 PRO A N 1 ATOM 1354 C CA . PRO A 1 188 ? 11.455 -16.613 20.269 1.00 24.84 ? 528 PRO A CA 1 ATOM 1355 C C . PRO A 1 188 ? 11.360 -16.042 18.872 1.00 23.79 ? 528 PRO A C 1 ATOM 1356 O O . PRO A 1 188 ? 12.380 -15.618 18.338 1.00 25.56 ? 528 PRO A O 1 ATOM 1357 C CB . PRO A 1 188 ? 11.831 -18.080 20.283 1.00 25.71 ? 528 PRO A CB 1 ATOM 1358 C CG . PRO A 1 188 ? 10.610 -18.823 20.653 1.00 26.04 ? 528 PRO A CG 1 ATOM 1359 C CD . PRO A 1 188 ? 9.762 -17.881 21.451 1.00 25.93 ? 528 PRO A CD 1 ATOM 1360 N N . THR A 1 189 ? 10.172 -16.029 18.277 1.00 23.04 ? 529 THR A N 1 ATOM 1361 C CA . THR A 1 189 ? 10.027 -15.504 16.929 1.00 22.11 ? 529 THR A CA 1 ATOM 1362 C C . THR A 1 189 ? 9.265 -14.201 16.858 1.00 21.53 ? 529 THR A C 1 ATOM 1363 O O . THR A 1 189 ? 9.083 -13.651 15.755 1.00 19.99 ? 529 THR A O 1 ATOM 1364 C CB . THR A 1 189 ? 9.325 -16.534 16.031 1.00 21.36 ? 529 THR A CB 1 ATOM 1365 O OG1 . THR A 1 189 ? 7.996 -16.773 16.510 1.00 22.55 ? 529 THR A OG1 1 ATOM 1366 C CG2 . THR A 1 189 ? 10.089 -17.839 15.974 1.00 23.84 ? 529 THR A CG2 1 ATOM 1367 N N . VAL A 1 190 ? 8.751 -13.692 17.974 1.00 19.76 ? 530 VAL A N 1 ATOM 1368 C CA . VAL A 1 190 ? 7.952 -12.471 17.964 1.00 18.87 ? 530 VAL A CA 1 ATOM 1369 C C . VAL A 1 190 ? 8.299 -11.592 19.168 1.00 20.00 ? 530 VAL A C 1 ATOM 1370 O O . VAL A 1 190 ? 8.073 -12.035 20.297 1.00 19.38 ? 530 VAL A O 1 ATOM 1371 C CB . VAL A 1 190 ? 6.438 -12.770 18.043 1.00 18.64 ? 530 VAL A CB 1 ATOM 1372 C CG1 . VAL A 1 190 ? 5.642 -11.468 18.000 1.00 18.22 ? 530 VAL A CG1 1 ATOM 1373 C CG2 . VAL A 1 190 ? 5.927 -13.702 16.949 1.00 18.37 ? 530 VAL A CG2 1 ATOM 1374 N N . SER A 1 191 ? 8.832 -10.406 18.948 1.00 17.86 ? 531 SER A N 1 ATOM 1375 C CA . SER A 1 191 ? 9.161 -9.496 20.053 1.00 18.77 ? 531 SER A CA 1 ATOM 1376 C C . SER A 1 191 ? 9.361 -8.108 19.489 1.00 18.41 ? 531 SER A C 1 ATOM 1377 O O . SER A 1 191 ? 9.733 -7.995 18.316 1.00 19.54 ? 531 SER A O 1 ATOM 1378 C CB . SER A 1 191 ? 10.342 -9.977 20.866 1.00 21.69 ? 531 SER A CB 1 ATOM 1379 O OG . SER A 1 191 ? 11.492 -10.201 20.103 1.00 25.03 ? 531 SER A OG 1 ATOM 1380 N N . PRO A 1 192 ? 9.133 -7.062 20.245 1.00 17.63 ? 532 PRO A N 1 ATOM 1381 C CA . PRO A 1 192 ? 9.225 -5.714 19.780 1.00 16.81 ? 532 PRO A CA 1 ATOM 1382 C C . PRO A 1 192 ? 10.632 -5.188 19.646 1.00 15.40 ? 532 PRO A C 1 ATOM 1383 O O . PRO A 1 192 ? 11.581 -5.724 20.210 1.00 16.82 ? 532 PRO A O 1 ATOM 1384 C CB . PRO A 1 192 ? 8.466 -4.884 20.804 1.00 18.81 ? 532 PRO A CB 1 ATOM 1385 C CG . PRO A 1 192 ? 7.932 -5.823 21.807 1.00 19.91 ? 532 PRO A CG 1 ATOM 1386 C CD . PRO A 1 192 ? 8.667 -7.122 21.659 1.00 17.82 ? 532 PRO A CD 1 ATOM 1387 N N . ILE A 1 193 ? 10.776 -4.135 18.855 1.00 14.29 ? 533 ILE A N 1 ATOM 1388 C CA . ILE A 1 193 ? 12.044 -3.427 18.704 1.00 15.05 ? 533 ILE A CA 1 ATOM 1389 C C . ILE A 1 193 ? 11.923 -2.153 19.528 1.00 15.94 ? 533 ILE A C 1 ATOM 1390 O O . ILE A 1 193 ? 10.790 -1.660 19.724 1.00 16.17 ? 533 ILE A O 1 ATOM 1391 C CB . ILE A 1 193 ? 12.343 -3.101 17.237 1.00 14.86 ? 533 ILE A CB 1 ATOM 1392 C CG1 . ILE A 1 193 ? 13.750 -2.512 17.108 1.00 14.40 ? 533 ILE A CG1 1 ATOM 1393 C CG2 . ILE A 1 193 ? 11.305 -2.142 16.670 1.00 13.79 ? 533 ILE A CG2 1 ATOM 1394 C CD1 . ILE A 1 193 ? 14.271 -2.444 15.686 1.00 13.04 ? 533 ILE A CD1 1 ATOM 1395 N N . CYS A 1 194 ? 13.004 -1.587 20.046 1.00 16.70 ? 534 CYS A N 1 ATOM 1396 C CA . CYS A 1 194 ? 12.904 -0.357 20.815 1.00 17.82 ? 534 CYS A CA 1 ATOM 1397 C C . CYS A 1 194 ? 12.714 0.870 19.925 1.00 18.09 ? 534 CYS A C 1 ATOM 1398 O O . CYS A 1 194 ? 12.978 0.806 18.740 1.00 16.87 ? 534 CYS A O 1 ATOM 1399 C CB . CYS A 1 194 ? 14.252 -0.105 21.544 1.00 19.74 ? 534 CYS A CB 1 ATOM 1400 S SG . CYS A 1 194 ? 14.697 -1.413 22.678 1.00 25.56 ? 534 CYS A SG 1 ATOM 1401 N N . LEU A 1 195 ? 12.298 1.978 20.517 1.00 18.99 ? 535 LEU A N 1 ATOM 1402 C CA . LEU A 1 195 ? 12.180 3.237 19.789 1.00 18.93 ? 535 LEU A CA 1 ATOM 1403 C C . LEU A 1 195 ? 13.420 4.079 20.148 1.00 19.99 ? 535 LEU A C 1 ATOM 1404 O O . LEU A 1 195 ? 14.062 3.842 21.178 1.00 20.52 ? 535 LEU A O 1 ATOM 1405 C CB . LEU A 1 195 ? 10.941 4.028 20.210 1.00 19.45 ? 535 LEU A CB 1 ATOM 1406 C CG . LEU A 1 195 ? 9.579 3.422 19.835 1.00 20.87 ? 535 LEU A CG 1 ATOM 1407 C CD1 . LEU A 1 195 ? 8.462 4.198 20.502 1.00 20.36 ? 535 LEU A CD1 1 ATOM 1408 C CD2 . LEU A 1 195 ? 9.391 3.438 18.321 1.00 21.72 ? 535 LEU A CD2 1 ATOM 1409 N N . PRO A 1 196 ? 13.736 5.055 19.335 1.00 19.91 ? 536 PRO A N 1 ATOM 1410 C CA . PRO A 1 196 ? 14.844 5.957 19.602 1.00 20.60 ? 536 PRO A CA 1 ATOM 1411 C C . PRO A 1 196 ? 14.426 6.905 20.739 1.00 23.09 ? 536 PRO A C 1 ATOM 1412 O O . PRO A 1 196 ? 13.235 7.149 20.943 1.00 20.73 ? 536 PRO A O 1 ATOM 1413 C CB . PRO A 1 196 ? 14.977 6.790 18.348 1.00 21.21 ? 536 PRO A CB 1 ATOM 1414 C CG . PRO A 1 196 ? 13.921 6.359 17.409 1.00 20.47 ? 536 PRO A CG 1 ATOM 1415 C CD . PRO A 1 196 ? 13.025 5.391 18.084 1.00 19.41 ? 536 PRO A CD 1 ATOM 1416 N N . GLY A 1 197 ? 15.418 7.412 21.463 1.00 25.92 ? 537 GLY A N 1 ATOM 1417 C CA . GLY A 1 197 ? 15.120 8.387 22.525 1.00 28.69 ? 537 GLY A CA 1 ATOM 1418 C C . GLY A 1 197 ? 15.172 9.756 21.836 1.00 31.12 ? 537 GLY A C 1 ATOM 1419 O O . GLY A 1 197 ? 15.449 9.796 20.639 1.00 31.42 ? 537 GLY A O 1 ATOM 1420 N N . THR A 1 198 ? 14.936 10.839 22.550 1.00 33.18 ? 538 THR A N 1 ATOM 1421 C CA . THR A 1 198 ? 14.964 12.155 21.928 1.00 35.27 ? 538 THR A CA 1 ATOM 1422 C C . THR A 1 198 ? 16.280 12.879 22.161 1.00 35.91 ? 538 THR A C 1 ATOM 1423 O O . THR A 1 198 ? 16.466 13.959 21.581 1.00 37.07 ? 538 THR A O 1 ATOM 1424 C CB . THR A 1 198 ? 13.807 13.045 22.421 1.00 38.74 ? 538 THR A CB 1 ATOM 1425 O OG1 . THR A 1 198 ? 13.881 13.140 23.842 1.00 41.09 ? 538 THR A OG1 1 ATOM 1426 C CG2 . THR A 1 198 ? 12.466 12.449 22.024 1.00 39.91 ? 538 THR A CG2 1 ATOM 1427 N N . SER A 1 199 ? 17.199 12.315 22.926 1.00 36.21 ? 539 SER A N 1 ATOM 1428 C CA . SER A 1 199 ? 18.480 12.982 23.155 1.00 36.56 ? 539 SER A CA 1 ATOM 1429 C C . SER A 1 199 ? 19.359 12.936 21.930 1.00 36.61 ? 539 SER A C 1 ATOM 1430 O O . SER A 1 199 ? 19.162 12.120 21.025 1.00 35.87 ? 539 SER A O 1 ATOM 1431 C CB . SER A 1 199 ? 19.205 12.387 24.345 1.00 38.06 ? 539 SER A CB 1 ATOM 1432 O OG . SER A 1 199 ? 19.613 11.055 24.137 1.00 41.00 ? 539 SER A OG 1 ATOM 1433 N N . SER A 1 200 ? 20.404 13.770 21.924 1.00 35.26 ? 540 SER A N 1 ATOM 1434 C CA . SER A 1 200 ? 21.342 13.840 20.832 1.00 34.59 ? 540 SER A CA 1 ATOM 1435 C C . SER A 1 200 ? 22.127 12.569 20.621 1.00 33.24 ? 540 SER A C 1 ATOM 1436 O O . SER A 1 200 ? 22.734 12.381 19.567 1.00 32.54 ? 540 SER A O 1 ATOM 1437 C CB . SER A 1 200 ? 22.245 15.065 20.958 1.00 38.01 ? 540 SER A CB 1 ATOM 1438 O OG . SER A 1 200 ? 23.191 14.878 21.992 1.00 40.14 ? 540 SER A OG 1 ATOM 1439 N N . ASP A 1 201 ? 22.085 11.616 21.543 1.00 31.63 ? 541 ASP A N 1 ATOM 1440 C CA . ASP A 1 201 ? 22.718 10.324 21.432 1.00 30.43 ? 541 ASP A CA 1 ATOM 1441 C C . ASP A 1 201 ? 22.040 9.491 20.331 1.00 29.44 ? 541 ASP A C 1 ATOM 1442 O O . ASP A 1 201 ? 22.602 8.505 19.880 1.00 28.52 ? 541 ASP A O 1 ATOM 1443 C CB . ASP A 1 201 ? 22.605 9.533 22.732 1.00 32.69 ? 541 ASP A CB 1 ATOM 1444 C CG . ASP A 1 201 ? 23.234 10.202 23.937 0.00 41.80 ? 541 ASP A CG 1 ATOM 1445 O OD1 . ASP A 1 201 ? 22.961 9.727 25.058 0.00 44.98 ? 541 ASP A OD1 1 ATOM 1446 O OD2 . ASP A 1 201 ? 23.913 11.239 23.813 0.00 43.91 ? 541 ASP A OD2 1 ATOM 1447 N N . TYR A 1 202 ? 20.846 9.888 19.930 1.00 28.02 ? 542 TYR A N 1 ATOM 1448 C CA . TYR A 1 202 ? 20.104 9.245 18.866 1.00 28.54 ? 542 TYR A CA 1 ATOM 1449 C C . TYR A 1 202 ? 20.250 9.973 17.556 1.00 29.30 ? 542 TYR A C 1 ATOM 1450 O O . TYR A 1 202 ? 19.500 9.725 16.604 1.00 30.39 ? 542 TYR A O 1 ATOM 1451 C CB . TYR A 1 202 ? 18.629 9.038 19.258 1.00 27.67 ? 542 TYR A CB 1 ATOM 1452 C CG . TYR A 1 202 ? 18.568 8.003 20.369 1.00 26.53 ? 542 TYR A CG 1 ATOM 1453 C CD1 . TYR A 1 202 ? 18.651 8.394 21.696 1.00 27.27 ? 542 TYR A CD1 1 ATOM 1454 C CD2 . TYR A 1 202 ? 18.499 6.656 20.086 1.00 26.14 ? 542 TYR A CD2 1 ATOM 1455 C CE1 . TYR A 1 202 ? 18.636 7.459 22.703 1.00 25.87 ? 542 TYR A CE1 1 ATOM 1456 C CE2 . TYR A 1 202 ? 18.478 5.706 21.080 1.00 26.84 ? 542 TYR A CE2 1 ATOM 1457 C CZ . TYR A 1 202 ? 18.550 6.126 22.395 1.00 27.80 ? 542 TYR A CZ 1 ATOM 1458 O OH . TYR A 1 202 ? 18.521 5.177 23.380 1.00 29.45 ? 542 TYR A OH 1 ATOM 1459 N N . ASN A 1 203 ? 21.227 10.877 17.454 1.00 29.30 ? 543 ASN A N 1 ATOM 1460 C CA . ASN A 1 203 ? 21.456 11.553 16.178 1.00 30.87 ? 543 ASN A CA 1 ATOM 1461 C C . ASN A 1 203 ? 22.400 10.653 15.376 1.00 31.40 ? 543 ASN A C 1 ATOM 1462 O O . ASN A 1 203 ? 23.528 10.413 15.802 1.00 32.36 ? 543 ASN A O 1 ATOM 1463 C CB . ASN A 1 203 ? 22.076 12.930 16.338 1.00 32.73 ? 543 ASN A CB 1 ATOM 1464 C CG . ASN A 1 203 ? 21.102 13.944 16.898 1.00 34.72 ? 543 ASN A CG 1 ATOM 1465 O OD1 . ASN A 1 203 ? 19.891 13.765 16.793 1.00 35.64 ? 543 ASN A OD1 1 ATOM 1466 N ND2 . ASN A 1 203 ? 21.631 15.002 17.493 1.00 35.10 ? 543 ASN A ND2 1 ATOM 1467 N N . LEU A 1 204 ? 21.927 10.146 14.258 1.00 30.54 ? 544 LEU A N 1 ATOM 1468 C CA . LEU A 1 204 ? 22.750 9.271 13.439 1.00 30.38 ? 544 LEU A CA 1 ATOM 1469 C C . LEU A 1 204 ? 23.867 10.046 12.754 1.00 30.97 ? 544 LEU A C 1 ATOM 1470 O O . LEU A 1 204 ? 23.705 11.215 12.421 1.00 32.45 ? 544 LEU A O 1 ATOM 1471 C CB . LEU A 1 204 ? 21.877 8.596 12.382 1.00 27.40 ? 544 LEU A CB 1 ATOM 1472 C CG . LEU A 1 204 ? 20.825 7.619 12.906 1.00 27.24 ? 544 LEU A CG 1 ATOM 1473 C CD1 . LEU A 1 204 ? 19.892 7.207 11.778 1.00 26.26 ? 544 LEU A CD1 1 ATOM 1474 C CD2 . LEU A 1 204 ? 21.483 6.400 13.531 1.00 27.26 ? 544 LEU A CD2 1 ATOM 1475 N N . MET A 1 205 ? 24.987 9.385 12.537 1.00 30.86 ? 545 MET A N 1 ATOM 1476 C CA . MET A 1 205 ? 26.121 10.006 11.865 1.00 31.12 ? 545 MET A CA 1 ATOM 1477 C C . MET A 1 205 ? 26.484 9.172 10.641 1.00 30.44 ? 545 MET A C 1 ATOM 1478 O O . MET A 1 205 ? 26.142 7.997 10.582 1.00 27.13 ? 545 MET A O 1 ATOM 1479 C CB . MET A 1 205 ? 27.341 10.067 12.788 1.00 31.58 ? 545 MET A CB 1 ATOM 1480 C CG . MET A 1 205 ? 27.042 11.013 14.015 0.00 43.84 ? 545 MET A CG 1 ATOM 1481 S SD . MET A 1 205 ? 28.537 11.372 14.956 0.00 33.31 ? 545 MET A SD 1 ATOM 1482 C CE . MET A 1 205 ? 28.875 9.769 15.680 0.00 49.77 ? 545 MET A CE 1 ATOM 1483 N N . ASP A 1 206 ? 27.170 9.805 9.715 1.00 30.87 ? 546 ASP A N 1 ATOM 1484 C CA . ASP A 1 206 ? 27.619 9.115 8.500 1.00 31.45 ? 546 ASP A CA 1 ATOM 1485 C C . ASP A 1 206 ? 28.430 7.902 8.926 1.00 29.47 ? 546 ASP A C 1 ATOM 1486 O O . ASP A 1 206 ? 29.262 7.988 9.838 1.00 30.01 ? 546 ASP A O 1 ATOM 1487 C CB . ASP A 1 206 ? 28.478 10.081 7.697 1.00 38.07 ? 546 ASP A CB 1 ATOM 1488 C CG . ASP A 1 206 ? 28.972 9.608 6.373 1.00 42.74 ? 546 ASP A CG 1 ATOM 1489 O OD1 . ASP A 1 206 ? 28.951 8.399 6.063 1.00 45.62 ? 546 ASP A OD1 1 ATOM 1490 O OD2 . ASP A 1 206 ? 29.428 10.467 5.576 1.00 47.22 ? 546 ASP A OD2 1 ATOM 1491 N N . GLY A 1 207 ? 28.175 6.755 8.317 1.00 27.07 ? 547 GLY A N 1 ATOM 1492 C CA . GLY A 1 207 ? 28.863 5.527 8.650 1.00 25.56 ? 547 GLY A CA 1 ATOM 1493 C C . GLY A 1 207 ? 28.190 4.718 9.728 1.00 24.63 ? 547 GLY A C 1 ATOM 1494 O O . GLY A 1 207 ? 28.584 3.556 9.916 1.00 24.77 ? 547 GLY A O 1 ATOM 1495 N N . ASP A 1 208 ? 27.192 5.262 10.434 1.00 24.05 ? 548 ASP A N 1 ATOM 1496 C CA . ASP A 1 208 ? 26.542 4.459 11.473 1.00 23.77 ? 548 ASP A CA 1 ATOM 1497 C C . ASP A 1 208 ? 25.919 3.231 10.800 1.00 22.01 ? 548 ASP A C 1 ATOM 1498 O O . ASP A 1 208 ? 25.307 3.376 9.742 1.00 23.10 ? 548 ASP A O 1 ATOM 1499 C CB . ASP A 1 208 ? 25.508 5.216 12.264 1.00 25.11 ? 548 ASP A CB 1 ATOM 1500 C CG . ASP A 1 208 ? 26.032 6.135 13.332 1.00 30.73 ? 548 ASP A CG 1 ATOM 1501 O OD1 . ASP A 1 208 ? 27.220 6.026 13.733 1.00 31.03 ? 548 ASP A OD1 1 ATOM 1502 O OD2 . ASP A 1 208 ? 25.280 7.024 13.797 1.00 29.18 ? 548 ASP A OD2 1 ATOM 1503 N N . LEU A 1 209 ? 26.087 2.055 11.371 1.00 20.04 ? 549 LEU A N 1 ATOM 1504 C CA . LEU A 1 209 ? 25.573 0.838 10.783 1.00 19.34 ? 549 LEU A CA 1 ATOM 1505 C C . LEU A 1 209 ? 24.204 0.443 11.302 1.00 21.41 ? 549 LEU A C 1 ATOM 1506 O O . LEU A 1 209 ? 23.934 0.529 12.494 1.00 21.10 ? 549 LEU A O 1 ATOM 1507 C CB . LEU A 1 209 ? 26.540 -0.331 10.993 1.00 19.32 ? 549 LEU A CB 1 ATOM 1508 C CG . LEU A 1 209 ? 27.976 -0.031 10.525 1.00 19.01 ? 549 LEU A CG 1 ATOM 1509 C CD1 . LEU A 1 209 ? 28.907 -1.174 10.847 1.00 19.77 ? 549 LEU A CD1 1 ATOM 1510 C CD2 . LEU A 1 209 ? 27.957 0.210 9.016 1.00 19.98 ? 549 LEU A CD2 1 ATOM 1511 N N . GLY A 1 210 ? 23.373 -0.028 10.372 1.00 21.08 ? 550 GLY A N 1 ATOM 1512 C CA . GLY A 1 210 ? 22.030 -0.473 10.757 1.00 20.18 ? 550 GLY A CA 1 ATOM 1513 C C . GLY A 1 210 ? 21.708 -1.736 9.972 1.00 20.83 ? 550 GLY A C 1 ATOM 1514 O O . GLY A 1 210 ? 22.369 -2.019 8.969 1.00 21.45 ? 550 GLY A O 1 ATOM 1515 N N . LEU A 1 211 ? 20.710 -2.472 10.421 1.00 19.05 ? 551 LEU A N 1 ATOM 1516 C CA . LEU A 1 211 ? 20.311 -3.686 9.728 1.00 17.78 ? 551 LEU A CA 1 ATOM 1517 C C . LEU A 1 211 ? 18.930 -3.449 9.090 1.00 19.09 ? 551 LEU A C 1 ATOM 1518 O O . LEU A 1 211 ? 18.082 -2.831 9.711 1.00 17.84 ? 551 LEU A O 1 ATOM 1519 C CB . LEU A 1 211 ? 20.148 -4.844 10.717 1.00 19.93 ? 551 LEU A CB 1 ATOM 1520 C CG . LEU A 1 211 ? 21.438 -5.376 11.347 1.00 23.72 ? 551 LEU A CG 1 ATOM 1521 C CD1 . LEU A 1 211 ? 21.124 -6.304 12.504 1.00 23.69 ? 551 LEU A CD1 1 ATOM 1522 C CD2 . LEU A 1 211 ? 22.234 -6.151 10.302 1.00 25.62 ? 551 LEU A CD2 1 ATOM 1523 N N . ILE A 1 212 ? 18.774 -3.969 7.883 1.00 17.20 ? 552 ILE A N 1 ATOM 1524 C CA . ILE A 1 212 ? 17.451 -3.869 7.232 1.00 16.75 ? 552 ILE A CA 1 ATOM 1525 C C . ILE A 1 212 ? 17.005 -5.307 7.023 1.00 15.62 ? 552 ILE A C 1 ATOM 1526 O O . ILE A 1 212 ? 17.850 -6.192 6.855 1.00 15.89 ? 552 ILE A O 1 ATOM 1527 C CB . ILE A 1 212 ? 17.424 -3.084 5.937 1.00 17.55 ? 552 ILE A CB 1 ATOM 1528 C CG1 . ILE A 1 212 ? 18.496 -3.621 4.981 1.00 19.44 ? 552 ILE A CG1 1 ATOM 1529 C CG2 . ILE A 1 212 ? 17.677 -1.594 6.174 1.00 20.09 ? 552 ILE A CG2 1 ATOM 1530 C CD1 . ILE A 1 212 ? 18.378 -3.010 3.592 1.00 19.08 ? 552 ILE A CD1 1 ATOM 1531 N N . SER A 1 213 ? 15.710 -5.575 7.060 1.00 15.13 ? 553 SER A N 1 ATOM 1532 C CA . SER A 1 213 ? 15.220 -6.928 6.881 1.00 14.62 ? 553 SER A CA 1 ATOM 1533 C C . SER A 1 213 ? 13.888 -6.873 6.136 1.00 14.54 ? 553 SER A C 1 ATOM 1534 O O . SER A 1 213 ? 13.174 -5.884 6.268 1.00 15.10 ? 553 SER A O 1 ATOM 1535 C CB . SER A 1 213 ? 15.029 -7.632 8.229 1.00 18.67 ? 553 SER A CB 1 ATOM 1536 O OG . SER A 1 213 ? 14.157 -6.833 9.007 1.00 19.56 ? 553 SER A OG 1 ATOM 1537 N N . GLY A 1 214 ? 13.594 -7.898 5.347 1.00 15.46 ? 554 GLY A N 1 ATOM 1538 C CA . GLY A 1 214 ? 12.311 -7.854 4.628 1.00 13.83 ? 554 GLY A CA 1 ATOM 1539 C C . GLY A 1 214 ? 12.178 -8.923 3.569 1.00 14.58 ? 554 GLY A C 1 ATOM 1540 O O . GLY A 1 214 ? 13.101 -9.700 3.334 1.00 15.04 ? 554 GLY A O 1 ATOM 1541 N N . TRP A 1 215 ? 10.996 -8.940 2.956 1.00 13.83 ? 555 TRP A N 1 ATOM 1542 C CA . TRP A 1 215 ? 10.691 -9.937 1.918 1.00 13.12 ? 555 TRP A CA 1 ATOM 1543 C C . TRP A 1 215 ? 10.525 -9.233 0.563 1.00 14.35 ? 555 TRP A C 1 ATOM 1544 O O . TRP A 1 215 ? 9.808 -9.768 -0.272 1.00 14.83 ? 555 TRP A O 1 ATOM 1545 C CB . TRP A 1 215 ? 9.391 -10.643 2.272 1.00 14.44 ? 555 TRP A CB 1 ATOM 1546 C CG . TRP A 1 215 ? 9.443 -11.512 3.486 1.00 15.61 ? 555 TRP A CG 1 ATOM 1547 C CD1 . TRP A 1 215 ? 9.812 -12.825 3.501 1.00 16.55 ? 555 TRP A CD1 1 ATOM 1548 C CD2 . TRP A 1 215 ? 9.117 -11.173 4.833 1.00 15.38 ? 555 TRP A CD2 1 ATOM 1549 N NE1 . TRP A 1 215 ? 9.720 -13.331 4.778 1.00 17.19 ? 555 TRP A NE1 1 ATOM 1550 C CE2 . TRP A 1 215 ? 9.289 -12.337 5.596 1.00 16.78 ? 555 TRP A CE2 1 ATOM 1551 C CE3 . TRP A 1 215 ? 8.665 -10.004 5.439 1.00 14.80 ? 555 TRP A CE3 1 ATOM 1552 C CZ2 . TRP A 1 215 ? 9.040 -12.354 6.973 1.00 17.34 ? 555 TRP A CZ2 1 ATOM 1553 C CZ3 . TRP A 1 215 ? 8.408 -10.022 6.799 1.00 16.84 ? 555 TRP A CZ3 1 ATOM 1554 C CH2 . TRP A 1 215 ? 8.613 -11.199 7.531 1.00 16.71 ? 555 TRP A CH2 1 ATOM 1555 N N . GLY A 1 216 ? 11.194 -8.112 0.401 1.00 14.69 ? 556 GLY A N 1 ATOM 1556 C CA . GLY A 1 216 ? 11.089 -7.390 -0.865 1.00 15.71 ? 556 GLY A CA 1 ATOM 1557 C C . GLY A 1 216 ? 11.896 -8.058 -1.964 1.00 15.18 ? 556 GLY A C 1 ATOM 1558 O O . GLY A 1 216 ? 12.529 -9.098 -1.849 1.00 15.18 ? 556 GLY A O 1 ATOM 1559 N N . ARG A 1 217 ? 11.849 -7.357 -3.099 1.00 16.98 ? 557 ARG A N 1 ATOM 1560 C CA . ARG A 1 217 ? 12.550 -7.829 -4.282 1.00 17.86 ? 557 ARG A CA 1 ATOM 1561 C C . ARG A 1 217 ? 14.031 -8.007 -3.972 1.00 18.26 ? 557 ARG A C 1 ATOM 1562 O O . ARG A 1 217 ? 14.620 -7.229 -3.227 1.00 18.91 ? 557 ARG A O 1 ATOM 1563 C CB . ARG A 1 217 ? 12.413 -6.760 -5.388 1.00 20.26 ? 557 ARG A CB 1 ATOM 1564 C CG . ARG A 1 217 ? 13.181 -7.181 -6.635 1.00 23.64 ? 557 ARG A CG 1 ATOM 1565 C CD . ARG A 1 217 ? 12.632 -6.548 -7.882 1.00 30.28 ? 557 ARG A CD 1 ATOM 1566 N NE . ARG A 1 217 ? 12.505 -5.112 -7.851 1.00 33.38 ? 557 ARG A NE 1 ATOM 1567 C CZ . ARG A 1 217 ? 13.377 -4.248 -8.361 1.00 37.97 ? 557 ARG A CZ 1 ATOM 1568 N NH1 . ARG A 1 217 ? 14.489 -4.664 -8.950 1.00 38.78 ? 557 ARG A NH1 1 ATOM 1569 N NH2 . ARG A 1 217 ? 13.131 -2.946 -8.288 1.00 38.29 ? 557 ARG A NH2 1 ATOM 1570 N N . THR A 1 218 ? 14.613 -9.041 -4.564 1.00 17.88 ? 558 THR A N 1 ATOM 1571 C CA . THR A 1 218 ? 16.034 -9.317 -4.408 1.00 19.34 ? 558 THR A CA 1 ATOM 1572 C C . THR A 1 218 ? 16.666 -9.230 -5.807 1.00 21.66 ? 558 THR A C 1 ATOM 1573 O O . THR A 1 218 ? 15.963 -8.978 -6.775 1.00 20.47 ? 558 THR A O 1 ATOM 1574 C CB . THR A 1 218 ? 16.314 -10.714 -3.868 1.00 20.01 ? 558 THR A CB 1 ATOM 1575 O OG1 . THR A 1 218 ? 16.026 -11.720 -4.842 1.00 21.64 ? 558 THR A OG1 1 ATOM 1576 C CG2 . THR A 1 218 ? 15.509 -10.994 -2.607 1.00 17.93 ? 558 THR A CG2 1 ATOM 1577 N N . GLU A 1 219 ? 17.965 -9.480 -5.867 1.00 22.25 ? 559 GLU A N 1 ATOM 1578 C CA . GLU A 1 219 ? 18.606 -9.426 -7.192 1.00 26.18 ? 559 GLU A CA 1 ATOM 1579 C C . GLU A 1 219 ? 18.207 -10.627 -8.024 1.00 27.30 ? 559 GLU A C 1 ATOM 1580 O O . GLU A 1 219 ? 18.431 -10.637 -9.239 1.00 29.13 ? 559 GLU A O 1 ATOM 1581 C CB . GLU A 1 219 ? 20.113 -9.302 -7.020 1.00 30.11 ? 559 GLU A CB 1 ATOM 1582 C CG . GLU A 1 219 ? 20.816 -10.452 -6.374 1.00 34.56 ? 559 GLU A CG 1 ATOM 1583 C CD . GLU A 1 219 ? 20.820 -10.543 -4.884 1.00 38.31 ? 559 GLU A CD 1 ATOM 1584 O OE1 . GLU A 1 219 ? 20.060 -9.871 -4.164 1.00 36.86 ? 559 GLU A OE1 1 ATOM 1585 O OE2 . GLU A 1 219 ? 21.633 -11.359 -4.370 1.00 41.66 ? 559 GLU A OE2 1 ATOM 1586 N N . LYS A 1 220 ? 17.618 -11.667 -7.448 1.00 25.75 ? 560 LYS A N 1 ATOM 1587 C CA . LYS A 1 220 ? 17.226 -12.859 -8.151 1.00 27.04 ? 560 LYS A CA 1 ATOM 1588 C C . LYS A 1 220 ? 15.734 -13.142 -8.208 1.00 26.25 ? 560 LYS A C 1 ATOM 1589 O O . LYS A 1 220 ? 15.336 -14.061 -8.938 1.00 25.99 ? 560 LYS A O 1 ATOM 1590 C CB . LYS A 1 220 ? 17.891 -14.096 -7.505 1.00 31.54 ? 560 LYS A CB 1 ATOM 1591 C CG . LYS A 1 220 ? 19.402 -13.991 -7.358 1.00 36.63 ? 560 LYS A CG 1 ATOM 1592 C CD . LYS A 1 220 ? 20.102 -14.752 -8.465 1.00 40.08 ? 560 LYS A CD 1 ATOM 1593 C CE . LYS A 1 220 ? 21.609 -14.545 -8.414 1.00 41.70 ? 560 LYS A CE 1 ATOM 1594 N NZ . LYS A 1 220 ? 22.014 -13.332 -9.182 1.00 44.44 ? 560 LYS A NZ 1 ATOM 1595 N N . ARG A 1 221 ? 14.910 -12.422 -7.460 1.00 22.73 ? 561 ARG A N 1 ATOM 1596 C CA . ARG A 1 221 ? 13.468 -12.749 -7.482 1.00 20.54 ? 561 ARG A CA 1 ATOM 1597 C C . ARG A 1 221 ? 12.630 -11.512 -7.244 1.00 19.50 ? 561 ARG A C 1 ATOM 1598 O O . ARG A 1 221 ? 13.067 -10.648 -6.485 1.00 18.37 ? 561 ARG A O 1 ATOM 1599 C CB . ARG A 1 221 ? 13.221 -13.796 -6.394 1.00 18.45 ? 561 ARG A CB 1 ATOM 1600 C CG . ARG A 1 221 ? 11.923 -14.585 -6.559 1.00 18.40 ? 561 ARG A CG 1 ATOM 1601 C CD . ARG A 1 221 ? 11.906 -15.736 -5.569 1.00 18.72 ? 561 ARG A CD 1 ATOM 1602 N NE . ARG A 1 221 ? 10.783 -16.633 -5.714 1.00 20.42 ? 561 ARG A NE 1 ATOM 1603 C CZ . ARG A 1 221 ? 9.551 -16.445 -5.282 1.00 19.65 ? 561 ARG A CZ 1 ATOM 1604 N NH1 . ARG A 1 221 ? 9.219 -15.329 -4.655 1.00 20.14 ? 561 ARG A NH1 1 ATOM 1605 N NH2 . ARG A 1 221 ? 8.639 -17.387 -5.480 1.00 18.73 ? 561 ARG A NH2 1 ATOM 1606 N N . ASP A 1 222 ? 11.429 -11.437 -7.835 1.00 17.76 ? 562 ASP A N 1 ATOM 1607 C CA . ASP A 1 222 ? 10.584 -10.262 -7.701 1.00 18.38 ? 562 ASP A CA 1 ATOM 1608 C C . ASP A 1 222 ? 10.212 -9.933 -6.260 1.00 18.05 ? 562 ASP A C 1 ATOM 1609 O O . ASP A 1 222 ? 10.001 -8.772 -5.932 1.00 17.72 ? 562 ASP A O 1 ATOM 1610 C CB . ASP A 1 222 ? 9.327 -10.351 -8.550 1.00 20.60 ? 562 ASP A CB 1 ATOM 1611 C CG . ASP A 1 222 ? 8.669 -9.004 -8.747 1.00 23.54 ? 562 ASP A CG 1 ATOM 1612 O OD1 . ASP A 1 222 ? 7.470 -8.876 -8.423 1.00 24.54 ? 562 ASP A OD1 1 ATOM 1613 O OD2 . ASP A 1 222 ? 9.342 -8.053 -9.214 1.00 24.99 ? 562 ASP A OD2 1 ATOM 1614 N N . ARG A 1 223 ? 10.071 -10.962 -5.474 1.00 16.96 ? 563 ARG A N 1 ATOM 1615 C CA . ARG A 1 223 ? 9.804 -10.851 -4.039 1.00 17.58 ? 563 ARG A CA 1 ATOM 1616 C C . ARG A 1 223 ? 10.503 -12.046 -3.392 1.00 18.05 ? 563 ARG A C 1 ATOM 1617 O O . ARG A 1 223 ? 10.778 -13.051 -4.039 1.00 18.65 ? 563 ARG A O 1 ATOM 1618 C CB . ARG A 1 223 ? 8.318 -10.914 -3.716 1.00 15.99 ? 563 ARG A CB 1 ATOM 1619 C CG . ARG A 1 223 ? 7.514 -9.672 -4.059 1.00 14.61 ? 563 ARG A CG 1 ATOM 1620 C CD . ARG A 1 223 ? 8.048 -8.423 -3.391 1.00 18.41 ? 563 ARG A CD 1 ATOM 1621 N NE . ARG A 1 223 ? 7.139 -7.272 -3.536 1.00 16.95 ? 563 ARG A NE 1 ATOM 1622 C CZ . ARG A 1 223 ? 7.203 -6.446 -4.570 1.00 17.82 ? 563 ARG A CZ 1 ATOM 1623 N NH1 . ARG A 1 223 ? 8.108 -6.692 -5.525 1.00 17.57 ? 563 ARG A NH1 1 ATOM 1624 N NH2 . ARG A 1 223 ? 6.408 -5.400 -4.670 1.00 19.25 ? 563 ARG A NH2 1 ATOM 1625 N N . ALA A 1 224 ? 10.782 -11.945 -2.099 1.00 17.11 ? 564 ALA A N 1 ATOM 1626 C CA . ALA A 1 224 ? 11.417 -13.050 -1.389 1.00 18.61 ? 564 ALA A CA 1 ATOM 1627 C C . ALA A 1 224 ? 10.363 -13.802 -0.592 1.00 19.73 ? 564 ALA A C 1 ATOM 1628 O O . ALA A 1 224 ? 9.494 -13.176 0.024 1.00 20.94 ? 564 ALA A O 1 ATOM 1629 C CB . ALA A 1 224 ? 12.515 -12.534 -0.471 1.00 17.72 ? 564 ALA A CB 1 ATOM 1630 N N . VAL A 1 225 ? 10.432 -15.120 -0.611 1.00 20.20 ? 565 VAL A N 1 ATOM 1631 C CA . VAL A 1 225 ? 9.478 -15.938 0.141 1.00 21.44 ? 565 VAL A CA 1 ATOM 1632 C C . VAL A 1 225 ? 10.004 -16.030 1.584 1.00 19.96 ? 565 VAL A C 1 ATOM 1633 O O . VAL A 1 225 ? 9.215 -16.082 2.510 1.00 19.27 ? 565 VAL A O 1 ATOM 1634 C CB . VAL A 1 225 ? 9.391 -17.352 -0.451 1.00 25.45 ? 565 VAL A CB 1 ATOM 1635 C CG1 . VAL A 1 225 ? 8.803 -18.362 0.520 1.00 28.40 ? 565 VAL A CG1 1 ATOM 1636 C CG2 . VAL A 1 225 ? 8.558 -17.328 -1.724 1.00 27.75 ? 565 VAL A CG2 1 ATOM 1637 N N . ARG A 1 226 ? 11.313 -16.059 1.722 1.00 18.05 ? 566 ARG A N 1 ATOM 1638 C CA . ARG A 1 226 ? 11.974 -16.153 3.013 1.00 19.30 ? 566 ARG A CA 1 ATOM 1639 C C . ARG A 1 226 ? 12.731 -14.878 3.317 1.00 17.68 ? 566 ARG A C 1 ATOM 1640 O O . ARG A 1 226 ? 13.333 -14.247 2.466 1.00 18.40 ? 566 ARG A O 1 ATOM 1641 C CB . ARG A 1 226 ? 12.900 -17.376 3.087 1.00 19.64 ? 566 ARG A CB 1 ATOM 1642 C CG . ARG A 1 226 ? 12.097 -18.662 2.986 1.00 26.86 ? 566 ARG A CG 1 ATOM 1643 C CD . ARG A 1 226 ? 12.929 -19.913 3.142 1.00 31.22 ? 566 ARG A CD 1 ATOM 1644 N NE . ARG A 1 226 ? 12.225 -20.946 3.871 1.00 38.49 ? 566 ARG A NE 1 ATOM 1645 C CZ . ARG A 1 226 ? 11.069 -21.527 3.633 1.00 40.23 ? 566 ARG A CZ 1 ATOM 1646 N NH1 . ARG A 1 226 ? 10.302 -21.231 2.596 1.00 42.13 ? 566 ARG A NH1 1 ATOM 1647 N NH2 . ARG A 1 226 ? 10.628 -22.469 4.468 1.00 43.72 ? 566 ARG A NH2 1 ATOM 1648 N N . LEU A 1 227 ? 12.682 -14.487 4.588 1.00 16.36 ? 567 LEU A N 1 ATOM 1649 C CA . LEU A 1 227 ? 13.297 -13.249 5.015 1.00 15.12 ? 567 LEU A CA 1 ATOM 1650 C C . LEU A 1 227 ? 14.747 -13.056 4.646 1.00 15.03 ? 567 LEU A C 1 ATOM 1651 O O . LEU A 1 227 ? 15.576 -13.967 4.782 1.00 17.31 ? 567 LEU A O 1 ATOM 1652 C CB . LEU A 1 227 ? 13.132 -13.146 6.537 1.00 16.69 ? 567 LEU A CB 1 ATOM 1653 C CG . LEU A 1 227 ? 13.432 -11.785 7.149 1.00 16.28 ? 567 LEU A CG 1 ATOM 1654 C CD1 . LEU A 1 227 ? 12.362 -10.765 6.831 1.00 14.79 ? 567 LEU A CD1 1 ATOM 1655 C CD2 . LEU A 1 227 ? 13.522 -11.996 8.673 1.00 16.53 ? 567 LEU A CD2 1 ATOM 1656 N N . LYS A 1 228 ? 15.076 -11.857 4.207 1.00 14.95 ? 568 LYS A N 1 ATOM 1657 C CA . LYS A 1 228 ? 16.441 -11.479 3.875 1.00 16.42 ? 568 LYS A CA 1 ATOM 1658 C C . LYS A 1 228 ? 16.851 -10.282 4.741 1.00 16.59 ? 568 LYS A C 1 ATOM 1659 O O . LYS A 1 228 ? 15.996 -9.546 5.223 1.00 17.44 ? 568 LYS A O 1 ATOM 1660 C CB . LYS A 1 228 ? 16.551 -11.024 2.409 1.00 16.79 ? 568 LYS A CB 1 ATOM 1661 C CG . LYS A 1 228 ? 16.040 -12.076 1.434 1.00 18.60 ? 568 LYS A CG 1 ATOM 1662 C CD . LYS A 1 228 ? 16.926 -13.318 1.432 1.00 21.39 ? 568 LYS A CD 1 ATOM 1663 C CE . LYS A 1 228 ? 16.379 -14.338 0.437 1.00 23.26 ? 568 LYS A CE 1 ATOM 1664 N NZ . LYS A 1 228 ? 15.415 -15.292 1.030 1.00 25.93 ? 568 LYS A NZ 1 ATOM 1665 N N . ALA A 1 229 ? 18.156 -10.100 4.907 1.00 15.85 ? 569 ALA A N 1 ATOM 1666 C CA . ALA A 1 229 ? 18.647 -8.969 5.673 1.00 16.90 ? 569 ALA A CA 1 ATOM 1667 C C . ALA A 1 229 ? 20.022 -8.530 5.196 1.00 17.37 ? 569 ALA A C 1 ATOM 1668 O O . ALA A 1 229 ? 20.767 -9.275 4.550 1.00 19.05 ? 569 ALA A O 1 ATOM 1669 C CB . ALA A 1 229 ? 18.705 -9.320 7.154 1.00 17.29 ? 569 ALA A CB 1 ATOM 1670 N N . ALA A 1 230 ? 20.354 -7.299 5.545 1.00 17.47 ? 570 ALA A N 1 ATOM 1671 C CA . ALA A 1 230 ? 21.632 -6.720 5.204 1.00 19.62 ? 570 ALA A CA 1 ATOM 1672 C C . ALA A 1 230 ? 22.027 -5.653 6.216 1.00 21.20 ? 570 ALA A C 1 ATOM 1673 O O . ALA A 1 230 ? 21.200 -5.039 6.874 1.00 21.77 ? 570 ALA A O 1 ATOM 1674 C CB . ALA A 1 230 ? 21.541 -6.098 3.810 1.00 19.30 ? 570 ALA A CB 1 ATOM 1675 N N . ARG A 1 231 ? 23.330 -5.424 6.318 1.00 20.50 ? 571 ARG A N 1 ATOM 1676 C CA . ARG A 1 231 ? 23.827 -4.378 7.225 1.00 21.85 ? 571 ARG A CA 1 ATOM 1677 C C . ARG A 1 231 ? 24.317 -3.245 6.346 1.00 22.94 ? 571 ARG A C 1 ATOM 1678 O O . ARG A 1 231 ? 25.120 -3.527 5.451 1.00 23.41 ? 571 ARG A O 1 ATOM 1679 C CB . ARG A 1 231 ? 24.959 -4.961 8.062 1.00 23.45 ? 571 ARG A CB 1 ATOM 1680 C CG . ARG A 1 231 ? 25.417 -4.055 9.192 1.00 26.56 ? 571 ARG A CG 1 ATOM 1681 C CD . ARG A 1 231 ? 26.455 -4.834 10.022 1.00 28.40 ? 571 ARG A CD 1 ATOM 1682 N NE . ARG A 1 231 ? 26.611 -4.229 11.330 1.00 32.11 ? 571 ARG A NE 1 ATOM 1683 C CZ . ARG A 1 231 ? 27.738 -4.288 12.039 1.00 33.63 ? 571 ARG A CZ 1 ATOM 1684 N NH1 . ARG A 1 231 ? 28.805 -4.909 11.551 1.00 32.16 ? 571 ARG A NH1 1 ATOM 1685 N NH2 . ARG A 1 231 ? 27.769 -3.704 13.224 1.00 34.38 ? 571 ARG A NH2 1 ATOM 1686 N N . LEU A 1 232 ? 23.830 -2.039 6.523 1.00 21.45 ? 572 LEU A N 1 ATOM 1687 C CA . LEU A 1 232 ? 24.176 -0.904 5.704 1.00 22.68 ? 572 LEU A CA 1 ATOM 1688 C C . LEU A 1 232 ? 24.594 0.297 6.554 1.00 22.29 ? 572 LEU A C 1 ATOM 1689 O O . LEU A 1 232 ? 24.050 0.490 7.637 1.00 22.29 ? 572 LEU A O 1 ATOM 1690 C CB . LEU A 1 232 ? 22.951 -0.336 4.953 1.00 25.80 ? 572 LEU A CB 1 ATOM 1691 C CG . LEU A 1 232 ? 21.907 -1.138 4.249 1.00 30.04 ? 572 LEU A CG 1 ATOM 1692 C CD1 . LEU A 1 232 ? 21.019 -0.214 3.391 1.00 30.02 ? 572 LEU A CD1 1 ATOM 1693 C CD2 . LEU A 1 232 ? 22.488 -2.208 3.343 1.00 31.94 ? 572 LEU A CD2 1 ATOM 1694 N N . PRO A 1 233 ? 25.441 1.153 6.013 1.00 21.85 ? 573 PRO A N 1 ATOM 1695 C CA . PRO A 1 233 ? 25.846 2.357 6.691 1.00 20.12 ? 573 PRO A CA 1 ATOM 1696 C C . PRO A 1 233 ? 24.998 3.555 6.280 1.00 20.97 ? 573 PRO A C 1 ATOM 1697 O O . PRO A 1 233 ? 24.600 3.697 5.115 1.00 20.35 ? 573 PRO A O 1 ATOM 1698 C CB . PRO A 1 233 ? 27.255 2.619 6.114 1.00 21.37 ? 573 PRO A CB 1 ATOM 1699 C CG . PRO A 1 233 ? 27.140 2.130 4.716 1.00 22.12 ? 573 PRO A CG 1 ATOM 1700 C CD . PRO A 1 233 ? 26.143 0.993 4.721 1.00 21.96 ? 573 PRO A CD 1 ATOM 1701 N N . VAL A 1 234 ? 24.812 4.463 7.220 1.00 19.64 ? 574 VAL A N 1 ATOM 1702 C CA . VAL A 1 234 ? 24.149 5.725 6.953 1.00 19.29 ? 574 VAL A CA 1 ATOM 1703 C C . VAL A 1 234 ? 25.065 6.564 6.068 1.00 21.18 ? 574 VAL A C 1 ATOM 1704 O O . VAL A 1 234 ? 26.298 6.522 6.242 1.00 21.08 ? 574 VAL A O 1 ATOM 1705 C CB . VAL A 1 234 ? 23.906 6.482 8.273 1.00 18.31 ? 574 VAL A CB 1 ATOM 1706 C CG1 . VAL A 1 234 ? 23.521 7.925 8.051 1.00 19.34 ? 574 VAL A CG1 1 ATOM 1707 C CG2 . VAL A 1 234 ? 22.819 5.719 9.027 1.00 18.68 ? 574 VAL A CG2 1 ATOM 1708 N N . ALA A 1 235 ? 24.480 7.325 5.170 1.00 21.28 ? 575 ALA A N 1 ATOM 1709 C CA . ALA A 1 235 ? 25.237 8.195 4.276 1.00 22.96 ? 575 ALA A CA 1 ATOM 1710 C C . ALA A 1 235 ? 24.645 9.586 4.219 1.00 23.87 ? 575 ALA A C 1 ATOM 1711 O O . ALA A 1 235 ? 23.474 9.833 4.528 1.00 22.52 ? 575 ALA A O 1 ATOM 1712 C CB . ALA A 1 235 ? 25.224 7.570 2.886 1.00 24.30 ? 575 ALA A CB 1 ATOM 1713 N N . PRO A 1 236 ? 25.434 10.558 3.788 1.00 24.73 ? 576 PRO A N 1 ATOM 1714 C CA . PRO A 1 236 ? 24.948 11.921 3.641 1.00 25.77 ? 576 PRO A CA 1 ATOM 1715 C C . PRO A 1 236 ? 23.779 11.920 2.653 1.00 25.62 ? 576 PRO A C 1 ATOM 1716 O O . PRO A 1 236 ? 23.784 11.158 1.687 1.00 25.93 ? 576 PRO A O 1 ATOM 1717 C CB . PRO A 1 236 ? 26.132 12.680 3.066 1.00 26.50 ? 576 PRO A CB 1 ATOM 1718 C CG . PRO A 1 236 ? 27.328 11.833 3.335 1.00 26.85 ? 576 PRO A CG 1 ATOM 1719 C CD . PRO A 1 236 ? 26.844 10.408 3.361 1.00 25.94 ? 576 PRO A CD 1 ATOM 1720 N N . LEU A 1 237 ? 22.799 12.780 2.865 1.00 26.91 ? 577 LEU A N 1 ATOM 1721 C CA . LEU A 1 237 ? 21.628 12.903 2.009 1.00 28.09 ? 577 LEU A CA 1 ATOM 1722 C C . LEU A 1 237 ? 21.997 13.175 0.569 1.00 29.83 ? 577 LEU A C 1 ATOM 1723 O O . LEU A 1 237 ? 21.345 12.686 -0.358 1.00 29.50 ? 577 LEU A O 1 ATOM 1724 C CB . LEU A 1 237 ? 20.663 13.944 2.553 1.00 29.60 ? 577 LEU A CB 1 ATOM 1725 C CG . LEU A 1 237 ? 19.220 13.909 2.064 1.00 30.71 ? 577 LEU A CG 1 ATOM 1726 C CD1 . LEU A 1 237 ? 18.520 12.634 2.518 1.00 32.39 ? 577 LEU A CD1 1 ATOM 1727 C CD2 . LEU A 1 237 ? 18.454 15.130 2.550 1.00 31.17 ? 577 LEU A CD2 1 ATOM 1728 N N . ARG A 1 238 ? 23.072 13.914 0.336 1.00 30.89 ? 578 ARG A N 1 ATOM 1729 C CA . ARG A 1 238 ? 23.569 14.213 -0.983 1.00 32.75 ? 578 ARG A CA 1 ATOM 1730 C C . ARG A 1 238 ? 23.754 12.962 -1.819 1.00 32.47 ? 578 ARG A C 1 ATOM 1731 O O . ARG A 1 238 ? 23.430 12.962 -3.007 1.00 33.18 ? 578 ARG A O 1 ATOM 1732 C CB . ARG A 1 238 ? 24.912 14.956 -0.863 1.00 35.64 ? 578 ARG A CB 1 ATOM 1733 C CG . ARG A 1 238 ? 25.382 15.559 -2.171 1.00 39.71 ? 578 ARG A CG 1 ATOM 1734 C CD . ARG A 1 238 ? 24.819 16.965 -2.332 1.00 41.35 ? 578 ARG A CD 1 ATOM 1735 N NE . ARG A 1 238 ? 23.797 17.022 -3.370 1.00 43.63 ? 578 ARG A NE 1 ATOM 1736 C CZ . ARG A 1 238 ? 22.821 17.916 -3.408 1.00 44.42 ? 578 ARG A CZ 1 ATOM 1737 N NH1 . ARG A 1 238 ? 22.715 18.845 -2.471 1.00 45.80 ? 578 ARG A NH1 1 ATOM 1738 N NH2 . ARG A 1 238 ? 21.938 17.888 -4.397 1.00 46.93 ? 578 ARG A NH2 1 ATOM 1739 N N . LYS A 1 239 ? 24.256 11.872 -1.249 1.00 32.56 ? 579 LYS A N 1 ATOM 1740 C CA . LYS A 1 239 ? 24.451 10.631 -1.975 1.00 32.60 ? 579 LYS A CA 1 ATOM 1741 C C . LYS A 1 239 ? 23.169 10.145 -2.634 1.00 32.53 ? 579 LYS A C 1 ATOM 1742 O O . LYS A 1 239 ? 23.146 9.741 -3.793 1.00 32.92 ? 579 LYS A O 1 ATOM 1743 C CB . LYS A 1 239 ? 25.036 9.550 -1.079 1.00 34.51 ? 579 LYS A CB 1 ATOM 1744 C CG . LYS A 1 239 ? 26.502 9.742 -0.713 1.00 36.91 ? 579 LYS A CG 1 ATOM 1745 C CD . LYS A 1 239 ? 27.371 9.826 -1.945 1.00 39.56 ? 579 LYS A CD 1 ATOM 1746 C CE . LYS A 1 239 ? 28.836 9.560 -1.640 1.00 42.19 ? 579 LYS A CE 1 ATOM 1747 N NZ . LYS A 1 239 ? 29.695 9.979 -2.784 1.00 43.54 ? 579 LYS A NZ 1 ATOM 1748 N N . CYS A 1 240 ? 22.077 10.178 -1.895 1.00 31.39 ? 580 CYS A N 1 ATOM 1749 C CA . CYS A 1 240 ? 20.759 9.766 -2.389 1.00 30.86 ? 580 CYS A CA 1 ATOM 1750 C C . CYS A 1 240 ? 20.277 10.717 -3.472 1.00 31.52 ? 580 CYS A C 1 ATOM 1751 O O . CYS A 1 240 ? 19.686 10.337 -4.491 1.00 30.80 ? 580 CYS A O 1 ATOM 1752 C CB A CYS A 1 240 ? 19.843 9.728 -1.168 0.50 28.19 ? 580 CYS A CB 1 ATOM 1753 C CB B CYS A 1 240 ? 19.744 9.728 -1.257 0.60 30.80 ? 580 CYS A CB 1 ATOM 1754 S SG A CYS A 1 240 ? 19.890 8.266 -0.137 0.40 25.23 ? 580 CYS A SG 1 ATOM 1755 S SG B CYS A 1 240 ? 19.724 11.221 -0.245 0.10 30.44 ? 580 CYS A SG 1 ATOM 1756 N N . LYS A 1 241 ? 20.544 12.015 -3.321 1.00 31.85 ? 581 LYS A N 1 ATOM 1757 C CA . LYS A 1 241 ? 20.169 13.035 -4.275 1.00 33.40 ? 581 LYS A CA 1 ATOM 1758 C C . LYS A 1 241 ? 20.927 12.953 -5.585 1.00 34.66 ? 581 LYS A C 1 ATOM 1759 O O . LYS A 1 241 ? 20.407 13.370 -6.622 1.00 34.77 ? 581 LYS A O 1 ATOM 1760 C CB . LYS A 1 241 ? 20.409 14.435 -3.689 1.00 33.45 ? 581 LYS A CB 1 ATOM 1761 C CG . LYS A 1 241 ? 19.523 14.770 -2.515 1.00 33.51 ? 581 LYS A CG 1 ATOM 1762 C CD . LYS A 1 241 ? 19.880 16.124 -1.938 1.00 34.36 ? 581 LYS A CD 1 ATOM 1763 C CE . LYS A 1 241 ? 19.001 16.490 -0.769 1.00 35.11 ? 581 LYS A CE 1 ATOM 1764 N NZ . LYS A 1 241 ? 19.432 17.770 -0.139 1.00 36.89 ? 581 LYS A NZ 1 ATOM 1765 N N . GLU A 1 242 ? 22.148 12.442 -5.565 1.00 35.15 ? 582 GLU A N 1 ATOM 1766 C CA . GLU A 1 242 ? 22.959 12.332 -6.757 1.00 36.59 ? 582 GLU A CA 1 ATOM 1767 C C . GLU A 1 242 ? 22.725 11.075 -7.562 1.00 36.52 ? 582 GLU A C 1 ATOM 1768 O O . GLU A 1 242 ? 23.410 10.843 -8.568 1.00 37.03 ? 582 GLU A O 1 ATOM 1769 C CB . GLU A 1 242 ? 24.448 12.449 -6.366 1.00 39.36 ? 582 GLU A CB 1 ATOM 1770 C CG . GLU A 1 242 ? 24.794 13.819 -5.819 1.00 42.89 ? 582 GLU A CG 1 ATOM 1771 C CD . GLU A 1 242 ? 26.217 13.941 -5.317 1.00 45.57 ? 582 GLU A CD 1 ATOM 1772 O OE1 . GLU A 1 242 ? 26.863 12.907 -5.044 1.00 47.15 ? 582 GLU A OE1 1 ATOM 1773 O OE2 . GLU A 1 242 ? 26.692 15.095 -5.189 1.00 47.01 ? 582 GLU A OE2 1 ATOM 1774 N N . VAL A 1 243 ? 21.786 10.225 -7.170 1.00 35.02 ? 583 VAL A N 1 ATOM 1775 C CA . VAL A 1 243 ? 21.520 9.002 -7.925 1.00 34.90 ? 583 VAL A CA 1 ATOM 1776 C C . VAL A 1 243 ? 20.731 9.366 -9.185 1.00 35.06 ? 583 VAL A C 1 ATOM 1777 O O . VAL A 1 243 ? 19.673 10.015 -8.989 1.00 35.78 ? 583 VAL A O 1 ATOM 1778 C CB . VAL A 1 243 ? 20.740 7.967 -7.115 1.00 33.09 ? 583 VAL A CB 1 ATOM 1779 C CG1 . VAL A 1 243 ? 20.316 6.789 -7.983 1.00 33.27 ? 583 VAL A CG1 1 ATOM 1780 C CG2 . VAL A 1 243 ? 21.590 7.466 -5.955 1.00 33.52 ? 583 VAL A CG2 1 ATOM 1781 N N . ALA A 1 254 ? 10.165 17.242 -8.853 1.00 35.37 ? 594 ALA A N 1 ATOM 1782 C CA . ALA A 1 254 ? 11.246 16.249 -8.567 1.00 35.11 ? 594 ALA A CA 1 ATOM 1783 C C . ALA A 1 254 ? 10.994 15.603 -7.215 1.00 33.30 ? 594 ALA A C 1 ATOM 1784 O O . ALA A 1 254 ? 10.075 16.029 -6.519 1.00 35.44 ? 594 ALA A O 1 ATOM 1785 C CB . ALA A 1 254 ? 12.610 16.914 -8.605 1.00 35.88 ? 594 ALA A CB 1 ATOM 1786 N N . TYR A 1 255 ? 11.769 14.594 -6.863 1.00 32.02 ? 595 TYR A N 1 ATOM 1787 C CA . TYR A 1 255 ? 11.581 13.936 -5.577 1.00 30.45 ? 595 TYR A CA 1 ATOM 1788 C C . TYR A 1 255 ? 11.918 14.897 -4.448 1.00 28.76 ? 595 TYR A C 1 ATOM 1789 O O . TYR A 1 255 ? 12.817 15.721 -4.543 1.00 28.25 ? 595 TYR A O 1 ATOM 1790 C CB . TYR A 1 255 ? 12.433 12.680 -5.463 1.00 32.49 ? 595 TYR A CB 1 ATOM 1791 C CG . TYR A 1 255 ? 11.870 11.485 -6.193 1.00 36.16 ? 595 TYR A CG 1 ATOM 1792 C CD1 . TYR A 1 255 ? 12.468 11.039 -7.356 1.00 38.98 ? 595 TYR A CD1 1 ATOM 1793 C CD2 . TYR A 1 255 ? 10.759 10.808 -5.734 1.00 37.23 ? 595 TYR A CD2 1 ATOM 1794 C CE1 . TYR A 1 255 ? 11.962 9.949 -8.041 1.00 41.06 ? 595 TYR A CE1 1 ATOM 1795 C CE2 . TYR A 1 255 ? 10.246 9.717 -6.407 1.00 39.55 ? 595 TYR A CE2 1 ATOM 1796 C CZ . TYR A 1 255 ? 10.854 9.293 -7.557 1.00 41.43 ? 595 TYR A CZ 1 ATOM 1797 O OH . TYR A 1 255 ? 10.354 8.210 -8.242 1.00 44.11 ? 595 TYR A OH 1 ATOM 1798 N N . VAL A 1 256 ? 11.173 14.777 -3.366 1.00 26.76 ? 596 VAL A N 1 ATOM 1799 C CA . VAL A 1 256 ? 11.385 15.615 -2.198 1.00 25.79 ? 596 VAL A CA 1 ATOM 1800 C C . VAL A 1 256 ? 12.341 14.911 -1.234 1.00 24.70 ? 596 VAL A C 1 ATOM 1801 O O . VAL A 1 256 ? 12.227 13.711 -0.997 1.00 24.16 ? 596 VAL A O 1 ATOM 1802 C CB . VAL A 1 256 ? 10.036 15.837 -1.486 1.00 26.77 ? 596 VAL A CB 1 ATOM 1803 C CG1 . VAL A 1 256 ? 10.226 16.635 -0.209 1.00 28.42 ? 596 VAL A CG1 1 ATOM 1804 C CG2 . VAL A 1 256 ? 9.063 16.542 -2.416 1.00 26.53 ? 596 VAL A CG2 1 ATOM 1805 N N . PHE A 1 257 ? 13.306 15.665 -0.733 1.00 24.60 ? 597 PHE A N 1 ATOM 1806 C CA . PHE A 1 257 ? 14.282 15.176 0.232 1.00 24.34 ? 597 PHE A CA 1 ATOM 1807 C C . PHE A 1 257 ? 14.177 16.106 1.435 1.00 24.69 ? 597 PHE A C 1 ATOM 1808 O O . PHE A 1 257 ? 14.095 17.332 1.262 1.00 25.72 ? 597 PHE A O 1 ATOM 1809 C CB . PHE A 1 257 ? 15.706 15.158 -0.291 1.00 25.52 ? 597 PHE A CB 1 ATOM 1810 C CG . PHE A 1 257 ? 15.942 14.236 -1.445 1.00 25.03 ? 597 PHE A CG 1 ATOM 1811 C CD1 . PHE A 1 257 ? 15.603 14.625 -2.722 1.00 25.72 ? 597 PHE A CD1 1 ATOM 1812 C CD2 . PHE A 1 257 ? 16.502 12.988 -1.255 1.00 25.68 ? 597 PHE A CD2 1 ATOM 1813 C CE1 . PHE A 1 257 ? 15.809 13.771 -3.789 1.00 26.55 ? 597 PHE A CE1 1 ATOM 1814 C CE2 . PHE A 1 257 ? 16.714 12.129 -2.305 1.00 26.21 ? 597 PHE A CE2 1 ATOM 1815 C CZ . PHE A 1 257 ? 16.371 12.527 -3.583 1.00 26.76 ? 597 PHE A CZ 1 ATOM 1816 N N . THR A 1 258 ? 14.080 15.563 2.635 1.00 23.49 ? 598 THR A N 1 ATOM 1817 C CA . THR A 1 258 ? 13.958 16.417 3.812 1.00 22.46 ? 598 THR A CA 1 ATOM 1818 C C . THR A 1 258 ? 14.800 15.825 4.933 1.00 22.38 ? 598 THR A C 1 ATOM 1819 O O . THR A 1 258 ? 15.194 14.660 4.897 1.00 21.26 ? 598 THR A O 1 ATOM 1820 C CB . THR A 1 258 ? 12.513 16.489 4.343 1.00 23.58 ? 598 THR A CB 1 ATOM 1821 O OG1 . THR A 1 258 ? 12.138 15.180 4.812 1.00 23.37 ? 598 THR A OG1 1 ATOM 1822 C CG2 . THR A 1 258 ? 11.491 16.922 3.309 1.00 23.99 ? 598 THR A CG2 1 ATOM 1823 N N . PRO A 1 259 ? 14.955 16.579 6.009 1.00 23.20 ? 599 PRO A N 1 ATOM 1824 C CA . PRO A 1 259 ? 15.661 16.119 7.188 1.00 23.14 ? 599 PRO A CA 1 ATOM 1825 C C . PRO A 1 259 ? 14.927 15.007 7.903 1.00 21.34 ? 599 PRO A C 1 ATOM 1826 O O . PRO A 1 259 ? 15.496 14.381 8.806 1.00 21.47 ? 599 PRO A O 1 ATOM 1827 C CB . PRO A 1 259 ? 15.798 17.351 8.060 1.00 24.43 ? 599 PRO A CB 1 ATOM 1828 C CG . PRO A 1 259 ? 15.417 18.516 7.216 1.00 25.51 ? 599 PRO A CG 1 ATOM 1829 C CD . PRO A 1 259 ? 14.490 17.980 6.160 1.00 23.91 ? 599 PRO A CD 1 ATOM 1830 N N . ASN A 1 260 ? 13.687 14.688 7.526 1.00 18.83 ? 600 ASN A N 1 ATOM 1831 C CA . ASN A 1 260 ? 12.930 13.598 8.115 1.00 17.77 ? 600 ASN A CA 1 ATOM 1832 C C . ASN A 1 260 ? 13.280 12.268 7.466 1.00 17.57 ? 600 ASN A C 1 ATOM 1833 O O . ASN A 1 260 ? 12.669 11.233 7.693 1.00 16.65 ? 600 ASN A O 1 ATOM 1834 C CB . ASN A 1 260 ? 11.421 13.820 7.926 1.00 18.11 ? 600 ASN A CB 1 ATOM 1835 C CG . ASN A 1 260 ? 10.906 15.032 8.658 1.00 20.61 ? 600 ASN A CG 1 ATOM 1836 O OD1 . ASN A 1 260 ? 11.279 15.243 9.810 1.00 20.92 ? 600 ASN A OD1 1 ATOM 1837 N ND2 . ASN A 1 260 ? 10.021 15.792 8.008 1.00 20.14 ? 600 ASN A ND2 1 ATOM 1838 N N . MET A 1 261 ? 14.290 12.277 6.597 1.00 17.48 ? 601 MET A N 1 ATOM 1839 C CA . MET A 1 261 ? 14.726 11.097 5.909 1.00 17.44 ? 601 MET A CA 1 ATOM 1840 C C . MET A 1 261 ? 16.213 10.824 6.192 1.00 17.91 ? 601 MET A C 1 ATOM 1841 O O . MET A 1 261 ? 17.024 11.741 6.260 1.00 20.52 ? 601 MET A O 1 ATOM 1842 C CB . MET A 1 261 ? 14.564 11.269 4.392 1.00 16.46 ? 601 MET A CB 1 ATOM 1843 C CG . MET A 1 261 ? 13.135 11.530 3.933 1.00 19.11 ? 601 MET A CG 1 ATOM 1844 S SD . MET A 1 261 ? 13.067 12.005 2.189 1.00 17.65 ? 601 MET A SD 1 ATOM 1845 C CE . MET A 1 261 ? 11.332 12.439 2.049 1.00 18.16 ? 601 MET A CE 1 ATOM 1846 N N . ILE A 1 262 ? 16.515 9.554 6.327 1.00 17.85 ? 602 ILE A N 1 ATOM 1847 C CA . ILE A 1 262 ? 17.896 9.097 6.514 1.00 17.69 ? 602 ILE A CA 1 ATOM 1848 C C . ILE A 1 262 ? 18.278 8.443 5.174 1.00 18.07 ? 602 ILE A C 1 ATOM 1849 O O . ILE A 1 262 ? 17.448 7.722 4.635 1.00 17.13 ? 602 ILE A O 1 ATOM 1850 C CB . ILE A 1 262 ? 17.949 7.955 7.545 1.00 18.24 ? 602 ILE A CB 1 ATOM 1851 C CG1 . ILE A 1 262 ? 17.465 8.432 8.909 1.00 20.34 ? 602 ILE A CG1 1 ATOM 1852 C CG2 . ILE A 1 262 ? 19.349 7.353 7.641 1.00 18.56 ? 602 ILE A CG2 1 ATOM 1853 C CD1 . ILE A 1 262 ? 17.094 7.261 9.816 1.00 19.14 ? 602 ILE A CD1 1 ATOM 1854 N N . CYS A 1 263 ? 19.496 8.688 4.732 1.00 17.60 ? 603 CYS A N 1 ATOM 1855 C CA . CYS A 1 263 ? 19.997 8.048 3.519 1.00 18.57 ? 603 CYS A CA 1 ATOM 1856 C C . CYS A 1 263 ? 20.954 6.941 3.975 1.00 18.52 ? 603 CYS A C 1 ATOM 1857 O O . CYS A 1 263 ? 21.715 7.156 4.928 1.00 18.16 ? 603 CYS A O 1 ATOM 1858 C CB . CYS A 1 263 ? 20.732 9.070 2.662 1.00 22.53 ? 603 CYS A CB 1 ATOM 1859 S SG . CYS A 1 263 ? 21.465 8.406 1.143 1.00 24.98 ? 603 CYS A SG 1 ATOM 1860 N N . ALA A 1 264 ? 20.853 5.759 3.402 1.00 18.85 ? 604 ALA A N 1 ATOM 1861 C CA . ALA A 1 264 ? 21.723 4.651 3.771 1.00 19.37 ? 604 ALA A CA 1 ATOM 1862 C C . ALA A 1 264 ? 22.012 3.760 2.570 1.00 20.83 ? 604 ALA A C 1 ATOM 1863 O O . ALA A 1 264 ? 21.170 3.646 1.690 1.00 20.44 ? 604 ALA A O 1 ATOM 1864 C CB . ALA A 1 264 ? 21.176 3.811 4.898 1.00 20.31 ? 604 ALA A CB 1 ATOM 1865 N N . GLY A 1 265 ? 23.188 3.133 2.578 1.00 20.83 ? 605 GLY A N 1 ATOM 1866 C CA . GLY A 1 265 ? 23.529 2.227 1.487 1.00 23.63 ? 605 GLY A CA 1 ATOM 1867 C C . GLY A 1 265 ? 24.835 2.661 0.833 1.00 25.37 ? 605 GLY A C 1 ATOM 1868 O O . GLY A 1 265 ? 25.729 3.202 1.474 1.00 24.78 ? 605 GLY A O 1 ATOM 1869 N N . GLY A 1 266 ? 24.915 2.420 -0.465 1.00 27.51 ? 606 GLY A N 1 ATOM 1870 C CA . GLY A 1 266 ? 26.083 2.801 -1.231 1.00 30.08 ? 606 GLY A CA 1 ATOM 1871 C C . GLY A 1 266 ? 27.213 1.809 -1.205 1.00 31.54 ? 606 GLY A C 1 ATOM 1872 O O . GLY A 1 266 ? 28.279 2.090 -1.771 1.00 33.66 ? 606 GLY A O 1 ATOM 1873 N N . GLU A 1 267 ? 27.054 0.658 -0.571 1.00 31.66 ? 607 GLU A N 1 ATOM 1874 C CA . GLU A 1 267 ? 28.124 -0.319 -0.492 1.00 32.39 ? 607 GLU A CA 1 ATOM 1875 C C . GLU A 1 267 ? 27.689 -1.715 -0.899 1.00 33.13 ? 607 GLU A C 1 ATOM 1876 O O . GLU A 1 267 ? 26.654 -2.224 -0.473 1.00 32.46 ? 607 GLU A O 1 ATOM 1877 C CB . GLU A 1 267 ? 28.697 -0.406 0.923 1.00 33.67 ? 607 GLU A CB 1 ATOM 1878 C CG . GLU A 1 267 ? 29.568 0.753 1.340 1.00 34.38 ? 607 GLU A CG 1 ATOM 1879 C CD . GLU A 1 267 ? 30.068 0.622 2.767 1.00 33.08 ? 607 GLU A CD 1 ATOM 1880 O OE1 . GLU A 1 267 ? 29.975 -0.489 3.314 1.00 36.16 ? 607 GLU A OE1 1 ATOM 1881 O OE2 . GLU A 1 267 ? 30.541 1.621 3.324 1.00 32.91 ? 607 GLU A OE2 1 ATOM 1882 N N . LYS A 1 268 ? 28.507 -2.341 -1.740 1.00 31.18 ? 608 LYS A N 1 ATOM 1883 C CA . LYS A 1 268 ? 28.290 -3.689 -2.206 1.00 32.14 ? 608 LYS A CA 1 ATOM 1884 C C . LYS A 1 268 ? 26.926 -3.966 -2.804 1.00 30.84 ? 608 LYS A C 1 ATOM 1885 O O . LYS A 1 268 ? 26.444 -5.101 -2.712 1.00 30.82 ? 608 LYS A O 1 ATOM 1886 C CB . LYS A 1 268 ? 28.533 -4.674 -1.048 1.00 35.40 ? 608 LYS A CB 1 ATOM 1887 C CG . LYS A 1 268 ? 29.954 -4.567 -0.506 1.00 39.67 ? 608 LYS A CG 1 ATOM 1888 C CD . LYS A 1 268 ? 30.107 -5.350 0.783 1.00 41.95 ? 608 LYS A CD 1 ATOM 1889 C CE . LYS A 1 268 ? 30.869 -4.488 1.785 1.00 45.32 ? 608 LYS A CE 1 ATOM 1890 N NZ . LYS A 1 268 ? 30.816 -5.053 3.143 1.00 47.45 ? 608 LYS A NZ 1 ATOM 1891 N N . GLY A 1 269 ? 26.283 -2.978 -3.395 1.00 30.54 ? 609 GLY A N 1 ATOM 1892 C CA . GLY A 1 269 ? 24.970 -3.123 -3.988 1.00 30.68 ? 609 GLY A CA 1 ATOM 1893 C C . GLY A 1 269 ? 23.890 -3.525 -3.006 1.00 31.15 ? 609 GLY A C 1 ATOM 1894 O O . GLY A 1 269 ? 22.873 -4.091 -3.436 1.00 31.99 ? 609 GLY A O 1 ATOM 1895 N N . MET A 1 270 ? 24.069 -3.261 -1.724 1.00 29.27 ? 610 MET A N 1 ATOM 1896 C CA . MET A 1 270 ? 23.077 -3.611 -0.726 1.00 27.61 ? 610 MET A CA 1 ATOM 1897 C C . MET A 1 270 ? 22.101 -2.451 -0.553 1.00 24.82 ? 610 MET A C 1 ATOM 1898 O O . MET A 1 270 ? 22.512 -1.305 -0.412 1.00 23.89 ? 610 MET A O 1 ATOM 1899 C CB . MET A 1 270 ? 23.746 -3.951 0.599 1.00 31.49 ? 610 MET A CB 1 ATOM 1900 C CG . MET A 1 270 ? 24.523 -5.266 0.563 1.00 34.66 ? 610 MET A CG 1 ATOM 1901 S SD . MET A 1 270 ? 25.314 -5.612 2.144 1.00 39.21 ? 610 MET A SD 1 ATOM 1902 C CE . MET A 1 270 ? 26.893 -4.816 1.918 1.00 40.36 ? 610 MET A CE 1 ATOM 1903 N N . ASP A 1 271 ? 20.810 -2.775 -0.574 1.00 22.66 ? 611 ASP A N 1 ATOM 1904 C CA . ASP A 1 271 ? 19.798 -1.714 -0.473 1.00 22.61 ? 611 ASP A CA 1 ATOM 1905 C C . ASP A 1 271 ? 18.449 -2.374 -0.197 1.00 20.78 ? 611 ASP A C 1 ATOM 1906 O O . ASP A 1 271 ? 18.302 -3.565 -0.414 1.00 21.60 ? 611 ASP A O 1 ATOM 1907 C CB . ASP A 1 271 ? 19.707 -1.038 -1.840 1.00 24.00 ? 611 ASP A CB 1 ATOM 1908 C CG . ASP A 1 271 ? 19.003 0.263 -1.989 1.00 27.39 ? 611 ASP A CG 1 ATOM 1909 O OD1 . ASP A 1 271 ? 18.572 0.918 -1.024 1.00 28.05 ? 611 ASP A OD1 1 ATOM 1910 O OD2 . ASP A 1 271 ? 18.851 0.738 -3.157 1.00 27.44 ? 611 ASP A OD2 1 ATOM 1911 N N . SER A 1 272 ? 17.502 -1.572 0.261 1.00 20.45 ? 612 SER A N 1 ATOM 1912 C CA . SER A 1 272 ? 16.146 -2.129 0.456 1.00 20.60 ? 612 SER A CA 1 ATOM 1913 C C . SER A 1 272 ? 15.457 -1.967 -0.896 1.00 21.77 ? 612 SER A C 1 ATOM 1914 O O . SER A 1 272 ? 15.931 -1.137 -1.691 1.00 21.61 ? 612 SER A O 1 ATOM 1915 C CB . SER A 1 272 ? 15.433 -1.360 1.555 1.00 21.33 ? 612 SER A CB 1 ATOM 1916 O OG . SER A 1 272 ? 15.600 0.028 1.373 1.00 25.18 ? 612 SER A OG 1 ATOM 1917 N N . CYS A 1 273 ? 14.407 -2.709 -1.197 1.00 21.10 ? 613 CYS A N 1 ATOM 1918 C CA . CYS A 1 273 ? 13.778 -2.571 -2.517 1.00 22.21 ? 613 CYS A CA 1 ATOM 1919 C C . CYS A 1 273 ? 12.271 -2.677 -2.391 1.00 21.53 ? 613 CYS A C 1 ATOM 1920 O O . CYS A 1 273 ? 11.749 -2.698 -1.277 1.00 20.32 ? 613 CYS A O 1 ATOM 1921 C CB A CYS A 1 273 ? 14.356 -3.576 -3.489 0.75 28.27 ? 613 CYS A CB 1 ATOM 1922 C CB B CYS A 1 273 ? 14.274 -3.711 -3.413 0.20 20.48 ? 613 CYS A CB 1 ATOM 1923 S SG A CYS A 1 273 ? 14.153 -3.244 -5.236 0.75 30.82 ? 613 CYS A SG 1 ATOM 1924 S SG B CYS A 1 273 ? 16.035 -4.058 -3.237 0.20 20.70 ? 613 CYS A SG 1 ATOM 1925 N N . LYS A 1 274 ? 11.586 -2.742 -3.525 1.00 20.21 ? 614 LYS A N 1 ATOM 1926 C CA . LYS A 1 274 ? 10.128 -2.833 -3.494 1.00 19.09 ? 614 LYS A CA 1 ATOM 1927 C C . LYS A 1 274 ? 9.676 -4.037 -2.685 1.00 17.57 ? 614 LYS A C 1 ATOM 1928 O O . LYS A 1 274 ? 10.103 -5.162 -2.911 1.00 17.29 ? 614 LYS A O 1 ATOM 1929 C CB A LYS A 1 274 ? 9.577 -2.983 -4.915 0.50 19.07 ? 614 LYS A CB 1 ATOM 1930 C CB B LYS A 1 274 ? 9.561 -2.894 -4.905 0.30 19.50 ? 614 LYS A CB 1 ATOM 1931 C CG A LYS A 1 274 ? 8.352 -2.127 -5.191 0.30 20.84 ? 614 LYS A CG 1 ATOM 1932 C CG B LYS A 1 274 ? 9.756 -1.630 -5.714 0.30 20.18 ? 614 LYS A CG 1 ATOM 1933 C CD A LYS A 1 274 ? 8.710 -0.650 -5.259 0.30 22.96 ? 614 LYS A CD 1 ATOM 1934 C CD B LYS A 1 274 ? 8.599 -0.666 -5.659 0.30 22.21 ? 614 LYS A CD 1 ATOM 1935 C CE A LYS A 1 274 ? 7.826 0.092 -6.244 0.30 23.93 ? 614 LYS A CE 1 ATOM 1936 C CE B LYS A 1 274 ? 7.236 -1.306 -5.767 0.30 22.63 ? 614 LYS A CE 1 ATOM 1937 N NZ A LYS A 1 274 ? 7.366 1.403 -5.704 0.30 23.83 ? 614 LYS A NZ 1 ATOM 1938 N NZ B LYS A 1 274 ? 6.122 -0.352 -5.558 0.30 24.16 ? 614 LYS A NZ 1 ATOM 1939 N N . GLY A 1 275 ? 8.746 -3.799 -1.762 1.00 15.39 ? 615 GLY A N 1 ATOM 1940 C CA . GLY A 1 275 ? 8.242 -4.884 -0.947 1.00 15.61 ? 615 GLY A CA 1 ATOM 1941 C C . GLY A 1 275 ? 8.862 -4.858 0.451 1.00 14.93 ? 615 GLY A C 1 ATOM 1942 O O . GLY A 1 275 ? 8.352 -5.551 1.312 1.00 14.62 ? 615 GLY A O 1 ATOM 1943 N N . ASP A 1 276 ? 9.920 -4.070 0.643 1.00 14.33 ? 616 ASP A N 1 ATOM 1944 C CA . ASP A 1 276 ? 10.535 -3.993 1.982 1.00 15.19 ? 616 ASP A CA 1 ATOM 1945 C C . ASP A 1 276 ? 10.034 -2.781 2.746 1.00 15.65 ? 616 ASP A C 1 ATOM 1946 O O . ASP A 1 276 ? 10.417 -2.585 3.906 1.00 14.54 ? 616 ASP A O 1 ATOM 1947 C CB . ASP A 1 276 ? 12.057 -3.806 1.841 1.00 17.81 ? 616 ASP A CB 1 ATOM 1948 C CG . ASP A 1 276 ? 12.784 -5.013 1.310 1.00 21.33 ? 616 ASP A CG 1 ATOM 1949 O OD1 . ASP A 1 276 ? 13.716 -4.835 0.480 1.00 21.87 ? 616 ASP A OD1 1 ATOM 1950 O OD2 . ASP A 1 276 ? 12.464 -6.147 1.711 1.00 20.67 ? 616 ASP A OD2 1 ATOM 1951 N N . SER A 1 277 ? 9.233 -1.911 2.151 1.00 15.28 ? 617 SER A N 1 ATOM 1952 C CA . SER A 1 277 ? 8.789 -0.689 2.793 1.00 16.24 ? 617 SER A CA 1 ATOM 1953 C C . SER A 1 277 ? 8.154 -0.944 4.150 1.00 14.25 ? 617 SER A C 1 ATOM 1954 O O . SER A 1 277 ? 7.409 -1.904 4.300 1.00 16.62 ? 617 SER A O 1 ATOM 1955 C CB . SER A 1 277 ? 7.707 0.008 1.943 1.00 17.01 ? 617 SER A CB 1 ATOM 1956 O OG . SER A 1 277 ? 8.336 0.537 0.781 1.00 20.87 ? 617 SER A OG 1 ATOM 1957 N N . GLY A 1 278 ? 8.419 -0.033 5.074 1.00 15.03 ? 618 GLY A N 1 ATOM 1958 C CA . GLY A 1 278 ? 7.837 -0.126 6.396 1.00 15.47 ? 618 GLY A CA 1 ATOM 1959 C C . GLY A 1 278 ? 8.683 -0.883 7.395 1.00 16.92 ? 618 GLY A C 1 ATOM 1960 O O . GLY A 1 278 ? 8.430 -0.761 8.592 1.00 16.60 ? 618 GLY A O 1 ATOM 1961 N N . GLY A 1 279 ? 9.641 -1.694 6.940 1.00 16.08 ? 619 GLY A N 1 ATOM 1962 C CA . GLY A 1 279 ? 10.477 -2.449 7.864 1.00 16.53 ? 619 GLY A CA 1 ATOM 1963 C C . GLY A 1 279 ? 11.431 -1.516 8.591 1.00 16.53 ? 619 GLY A C 1 ATOM 1964 O O . GLY A 1 279 ? 11.761 -0.411 8.153 1.00 15.91 ? 619 GLY A O 1 ATOM 1965 N N . ALA A 1 280 ? 11.906 -1.957 9.761 1.00 15.38 ? 620 ALA A N 1 ATOM 1966 C CA . ALA A 1 280 ? 12.800 -1.091 10.513 1.00 16.31 ? 620 ALA A CA 1 ATOM 1967 C C . ALA A 1 280 ? 14.265 -1.185 10.093 1.00 16.16 ? 620 ALA A C 1 ATOM 1968 O O . ALA A 1 280 ? 14.744 -2.278 9.815 1.00 17.23 ? 620 ALA A O 1 ATOM 1969 C CB . ALA A 1 280 ? 12.779 -1.589 11.972 1.00 16.39 ? 620 ALA A CB 1 ATOM 1970 N N . PHE A 1 281 ? 14.913 -0.041 10.150 1.00 16.05 ? 621 PHE A N 1 ATOM 1971 C CA . PHE A 1 281 ? 16.375 0.082 9.962 1.00 15.34 ? 621 PHE A CA 1 ATOM 1972 C C . PHE A 1 281 ? 16.843 0.013 11.437 1.00 17.18 ? 621 PHE A C 1 ATOM 1973 O O . PHE A 1 281 ? 16.670 0.989 12.155 1.00 17.38 ? 621 PHE A O 1 ATOM 1974 C CB . PHE A 1 281 ? 16.704 1.417 9.343 1.00 17.96 ? 621 PHE A CB 1 ATOM 1975 C CG . PHE A 1 281 ? 18.161 1.736 9.176 1.00 21.02 ? 621 PHE A CG 1 ATOM 1976 C CD1 . PHE A 1 281 ? 18.914 1.072 8.230 1.00 25.41 ? 621 PHE A CD1 1 ATOM 1977 C CD2 . PHE A 1 281 ? 18.775 2.728 9.908 1.00 22.97 ? 621 PHE A CD2 1 ATOM 1978 C CE1 . PHE A 1 281 ? 20.256 1.351 8.050 1.00 27.32 ? 621 PHE A CE1 1 ATOM 1979 C CE2 . PHE A 1 281 ? 20.118 3.024 9.735 1.00 24.99 ? 621 PHE A CE2 1 ATOM 1980 C CZ . PHE A 1 281 ? 20.857 2.341 8.796 1.00 27.26 ? 621 PHE A CZ 1 ATOM 1981 N N . ALA A 1 282 ? 17.247 -1.166 11.839 1.00 16.38 ? 622 ALA A N 1 ATOM 1982 C CA . ALA A 1 282 ? 17.577 -1.460 13.237 1.00 16.54 ? 622 ALA A CA 1 ATOM 1983 C C . ALA A 1 282 ? 19.013 -1.100 13.577 1.00 17.16 ? 622 ALA A C 1 ATOM 1984 O O . ALA A 1 282 ? 19.951 -1.583 12.953 1.00 17.34 ? 622 ALA A O 1 ATOM 1985 C CB . ALA A 1 282 ? 17.308 -2.934 13.453 1.00 16.29 ? 622 ALA A CB 1 ATOM 1986 N N . VAL A 1 283 ? 19.154 -0.232 14.580 1.00 17.52 ? 623 VAL A N 1 ATOM 1987 C CA . VAL A 1 283 ? 20.509 0.234 14.964 1.00 16.69 ? 623 VAL A CA 1 ATOM 1988 C C . VAL A 1 283 ? 20.797 -0.144 16.408 1.00 19.15 ? 623 VAL A C 1 ATOM 1989 O O . VAL A 1 283 ? 19.881 -0.196 17.206 1.00 17.21 ? 623 VAL A O 1 ATOM 1990 C CB . VAL A 1 283 ? 20.601 1.735 14.751 1.00 17.45 ? 623 VAL A CB 1 ATOM 1991 C CG1 . VAL A 1 283 ? 21.927 2.344 15.231 1.00 19.58 ? 623 VAL A CG1 1 ATOM 1992 C CG2 . VAL A 1 283 ? 20.437 2.066 13.260 1.00 18.26 ? 623 VAL A CG2 1 ATOM 1993 N N . GLN A 1 284 ? 22.069 -0.431 16.721 1.00 19.75 ? 624 GLN A N 1 ATOM 1994 C CA . GLN A 1 284 ? 22.361 -0.805 18.119 1.00 22.72 ? 624 GLN A CA 1 ATOM 1995 C C . GLN A 1 284 ? 22.115 0.387 19.019 1.00 23.04 ? 624 GLN A C 1 ATOM 1996 O O . GLN A 1 284 ? 22.534 1.496 18.691 1.00 23.00 ? 624 GLN A O 1 ATOM 1997 C CB . GLN A 1 284 ? 23.821 -1.275 18.227 1.00 24.10 ? 624 GLN A CB 1 ATOM 1998 C CG . GLN A 1 284 ? 24.156 -1.890 19.570 1.00 31.37 ? 624 GLN A CG 1 ATOM 1999 C CD . GLN A 1 284 ? 25.502 -2.583 19.594 0.50 32.83 ? 624 GLN A CD 1 ATOM 2000 O OE1 . GLN A 1 284 ? 25.625 -3.739 19.187 0.50 35.69 ? 624 GLN A OE1 1 ATOM 2001 N NE2 . GLN A 1 284 ? 26.520 -1.894 20.092 0.50 35.20 ? 624 GLN A NE2 1 ATOM 2002 N N . ASP A 1 285 ? 21.429 0.192 20.139 1.00 24.80 ? 625 ASP A N 1 ATOM 2003 C CA . ASP A 1 285 ? 21.174 1.325 21.028 1.00 27.45 ? 625 ASP A CA 1 ATOM 2004 C C . ASP A 1 285 ? 22.514 1.854 21.553 1.00 29.74 ? 625 ASP A C 1 ATOM 2005 O O . ASP A 1 285 ? 23.367 1.055 21.944 1.00 29.19 ? 625 ASP A O 1 ATOM 2006 C CB . ASP A 1 285 ? 20.311 0.883 22.211 1.00 28.80 ? 625 ASP A CB 1 ATOM 2007 C CG . ASP A 1 285 ? 19.955 2.109 23.037 1.00 32.03 ? 625 ASP A CG 1 ATOM 2008 O OD1 . ASP A 1 285 ? 20.759 2.444 23.929 1.00 32.37 ? 625 ASP A OD1 1 ATOM 2009 O OD2 . ASP A 1 285 ? 18.935 2.761 22.721 1.00 33.02 ? 625 ASP A OD2 1 ATOM 2010 N N . PRO A 1 286 ? 22.704 3.156 21.553 1.00 32.31 ? 626 PRO A N 1 ATOM 2011 C CA . PRO A 1 286 ? 23.948 3.759 22.011 1.00 35.08 ? 626 PRO A CA 1 ATOM 2012 C C . PRO A 1 286 ? 24.216 3.560 23.482 1.00 37.53 ? 626 PRO A C 1 ATOM 2013 O O . PRO A 1 286 ? 25.390 3.476 23.882 1.00 39.00 ? 626 PRO A O 1 ATOM 2014 C CB . PRO A 1 286 ? 23.812 5.223 21.637 1.00 34.37 ? 626 PRO A CB 1 ATOM 2015 C CG . PRO A 1 286 ? 22.340 5.471 21.583 1.00 34.66 ? 626 PRO A CG 1 ATOM 2016 C CD . PRO A 1 286 ? 21.733 4.179 21.093 1.00 33.01 ? 626 PRO A CD 1 ATOM 2017 N N . ASN A 1 287 ? 23.197 3.459 24.311 1.00 39.19 ? 627 ASN A N 1 ATOM 2018 C CA . ASN A 1 287 ? 23.384 3.253 25.731 1.00 41.89 ? 627 ASN A CA 1 ATOM 2019 C C . ASN A 1 287 ? 23.439 1.776 26.111 1.00 42.43 ? 627 ASN A C 1 ATOM 2020 O O . ASN A 1 287 ? 23.887 1.439 27.206 1.00 42.73 ? 627 ASN A O 1 ATOM 2021 C CB . ASN A 1 287 ? 22.248 3.896 26.527 1.00 44.54 ? 627 ASN A CB 1 ATOM 2022 C CG . ASN A 1 287 ? 21.911 5.304 26.115 1.00 46.68 ? 627 ASN A CG 1 ATOM 2023 O OD1 . ASN A 1 287 ? 22.786 6.158 25.981 1.00 48.62 ? 627 ASN A OD1 1 ATOM 2024 N ND2 . ASN A 1 287 ? 20.620 5.575 25.920 1.00 48.18 ? 627 ASN A ND2 1 ATOM 2025 N N . ASP A 1 288 ? 22.966 0.897 25.246 1.00 42.43 ? 628 ASP A N 1 ATOM 2026 C CA . ASP A 1 288 ? 22.936 -0.536 25.532 1.00 41.94 ? 628 ASP A CA 1 ATOM 2027 C C . ASP A 1 288 ? 23.185 -1.335 24.274 1.00 41.63 ? 628 ASP A C 1 ATOM 2028 O O . ASP A 1 288 ? 22.281 -1.565 23.461 1.00 41.37 ? 628 ASP A O 1 ATOM 2029 C CB . ASP A 1 288 ? 21.587 -0.904 26.138 1.00 43.10 ? 628 ASP A CB 1 ATOM 2030 C CG . ASP A 1 288 ? 21.488 -2.333 26.607 1.00 44.66 ? 628 ASP A CG 1 ATOM 2031 O OD1 . ASP A 1 288 ? 22.343 -3.165 26.250 1.00 45.50 ? 628 ASP A OD1 1 ATOM 2032 O OD2 . ASP A 1 288 ? 20.530 -2.642 27.346 1.00 46.02 ? 628 ASP A OD2 1 ATOM 2033 N N . LYS A 1 289 ? 24.415 -1.802 24.124 1.00 40.21 ? 629 LYS A N 1 ATOM 2034 C CA . LYS A 1 289 ? 24.867 -2.552 22.990 1.00 39.19 ? 629 LYS A CA 1 ATOM 2035 C C . LYS A 1 289 ? 24.163 -3.861 22.721 1.00 37.91 ? 629 LYS A C 1 ATOM 2036 O O . LYS A 1 289 ? 24.320 -4.419 21.625 1.00 38.67 ? 629 LYS A O 1 ATOM 2037 C CB . LYS A 1 289 ? 26.386 -2.798 23.100 1.00 40.06 ? 629 LYS A CB 1 ATOM 2038 C CG . LYS A 1 289 ? 27.202 -1.490 23.149 0.00 42.90 ? 629 LYS A CG 1 ATOM 2039 C CD . LYS A 1 289 ? 28.698 -1.772 23.109 0.00 44.26 ? 629 LYS A CD 1 ATOM 2040 C CE . LYS A 1 289 ? 29.509 -0.493 23.223 0.00 45.25 ? 629 LYS A CE 1 ATOM 2041 N NZ . LYS A 1 289 ? 30.971 -0.750 23.118 0.00 46.02 ? 629 LYS A NZ 1 ATOM 2042 N N . THR A 1 290 ? 23.402 -4.400 23.644 1.00 36.26 ? 630 THR A N 1 ATOM 2043 C CA . THR A 1 290 ? 22.692 -5.648 23.457 1.00 35.14 ? 630 THR A CA 1 ATOM 2044 C C . THR A 1 290 ? 21.331 -5.452 22.788 1.00 32.42 ? 630 THR A C 1 ATOM 2045 O O . THR A 1 290 ? 20.720 -6.435 22.364 1.00 33.46 ? 630 THR A O 1 ATOM 2046 C CB . THR A 1 290 ? 22.444 -6.336 24.814 1.00 37.48 ? 630 THR A CB 1 ATOM 2047 O OG1 . THR A 1 290 ? 21.497 -5.561 25.555 1.00 38.44 ? 630 THR A OG1 1 ATOM 2048 C CG2 . THR A 1 290 ? 23.743 -6.434 25.599 1.00 39.78 ? 630 THR A CG2 1 ATOM 2049 N N . LYS A 1 291 ? 20.842 -4.229 22.708 1.00 30.32 ? 631 LYS A N 1 ATOM 2050 C CA . LYS A 1 291 ? 19.528 -3.975 22.125 1.00 27.90 ? 631 LYS A CA 1 ATOM 2051 C C . LYS A 1 291 ? 19.600 -3.165 20.834 1.00 24.39 ? 631 LYS A C 1 ATOM 2052 O O . LYS A 1 291 ? 20.504 -2.384 20.619 1.00 24.38 ? 631 LYS A O 1 ATOM 2053 C CB . LYS A 1 291 ? 18.683 -3.103 23.070 1.00 29.62 ? 631 LYS A CB 1 ATOM 2054 C CG . LYS A 1 291 ? 18.157 -3.837 24.273 1.00 34.87 ? 631 LYS A CG 1 ATOM 2055 C CD . LYS A 1 291 ? 17.537 -2.867 25.270 1.00 35.94 ? 631 LYS A CD 1 ATOM 2056 C CE . LYS A 1 291 ? 17.103 -3.641 26.504 1.00 38.22 ? 631 LYS A CE 1 ATOM 2057 N NZ . LYS A 1 291 ? 15.792 -4.318 26.292 1.00 38.76 ? 631 LYS A NZ 1 ATOM 2058 N N . PHE A 1 292 ? 18.549 -3.343 20.039 1.00 22.62 ? 632 PHE A N 1 ATOM 2059 C CA . PHE A 1 292 ? 18.430 -2.592 18.800 1.00 19.64 ? 632 PHE A CA 1 ATOM 2060 C C . PHE A 1 292 ? 17.188 -1.691 18.904 1.00 19.23 ? 632 PHE A C 1 ATOM 2061 O O . PHE A 1 292 ? 16.240 -2.097 19.554 1.00 18.70 ? 632 PHE A O 1 ATOM 2062 C CB . PHE A 1 292 ? 18.155 -3.544 17.631 1.00 21.76 ? 632 PHE A CB 1 ATOM 2063 C CG . PHE A 1 292 ? 19.335 -4.383 17.253 1.00 23.97 ? 632 PHE A CG 1 ATOM 2064 C CD1 . PHE A 1 292 ? 19.499 -5.634 17.823 1.00 25.49 ? 632 PHE A CD1 1 ATOM 2065 C CD2 . PHE A 1 292 ? 20.250 -3.928 16.331 1.00 25.40 ? 632 PHE A CD2 1 ATOM 2066 C CE1 . PHE A 1 292 ? 20.586 -6.428 17.483 1.00 27.36 ? 632 PHE A CE1 1 ATOM 2067 C CE2 . PHE A 1 292 ? 21.336 -4.723 15.985 1.00 27.30 ? 632 PHE A CE2 1 ATOM 2068 C CZ . PHE A 1 292 ? 21.495 -5.961 16.566 1.00 27.13 ? 632 PHE A CZ 1 ATOM 2069 N N . TYR A 1 293 ? 17.229 -0.552 18.232 1.00 16.56 ? 633 TYR A N 1 ATOM 2070 C CA . TYR A 1 293 ? 16.087 0.338 18.206 1.00 16.77 ? 633 TYR A CA 1 ATOM 2071 C C . TYR A 1 293 ? 15.752 0.665 16.739 1.00 15.50 ? 633 TYR A C 1 ATOM 2072 O O . TYR A 1 293 ? 16.634 0.501 15.912 1.00 15.84 ? 633 TYR A O 1 ATOM 2073 C CB . TYR A 1 293 ? 16.320 1.621 18.993 1.00 16.77 ? 633 TYR A CB 1 ATOM 2074 C CG . TYR A 1 293 ? 17.234 2.636 18.384 1.00 16.14 ? 633 TYR A CG 1 ATOM 2075 C CD1 . TYR A 1 293 ? 16.742 3.702 17.647 1.00 15.04 ? 633 TYR A CD1 1 ATOM 2076 C CD2 . TYR A 1 293 ? 18.616 2.523 18.523 1.00 15.87 ? 633 TYR A CD2 1 ATOM 2077 C CE1 . TYR A 1 293 ? 17.563 4.629 17.073 1.00 15.98 ? 633 TYR A CE1 1 ATOM 2078 C CE2 . TYR A 1 293 ? 19.465 3.449 17.950 1.00 16.40 ? 633 TYR A CE2 1 ATOM 2079 C CZ . TYR A 1 293 ? 18.937 4.495 17.240 1.00 16.47 ? 633 TYR A CZ 1 ATOM 2080 O OH . TYR A 1 293 ? 19.749 5.430 16.665 1.00 17.60 ? 633 TYR A OH 1 ATOM 2081 N N . ALA A 1 294 ? 14.527 1.094 16.492 1.00 15.86 ? 634 ALA A N 1 ATOM 2082 C CA . ALA A 1 294 ? 14.129 1.434 15.119 1.00 15.51 ? 634 ALA A CA 1 ATOM 2083 C C . ALA A 1 294 ? 14.544 2.858 14.807 1.00 14.86 ? 634 ALA A C 1 ATOM 2084 O O . ALA A 1 294 ? 13.872 3.817 15.169 1.00 16.89 ? 634 ALA A O 1 ATOM 2085 C CB . ALA A 1 294 ? 12.623 1.269 14.929 1.00 15.82 ? 634 ALA A CB 1 ATOM 2086 N N . ALA A 1 295 ? 15.693 3.008 14.148 1.00 14.73 ? 635 ALA A N 1 ATOM 2087 C CA . ALA A 1 295 ? 16.183 4.337 13.807 1.00 14.65 ? 635 ALA A CA 1 ATOM 2088 C C . ALA A 1 295 ? 15.502 4.880 12.550 1.00 15.12 ? 635 ALA A C 1 ATOM 2089 O O . ALA A 1 295 ? 15.297 6.081 12.414 1.00 14.94 ? 635 ALA A O 1 ATOM 2090 C CB . ALA A 1 295 ? 17.697 4.298 13.593 1.00 14.77 ? 635 ALA A CB 1 ATOM 2091 N N . GLY A 1 296 ? 15.174 3.947 11.661 1.00 15.03 ? 636 GLY A N 1 ATOM 2092 C CA . GLY A 1 296 ? 14.512 4.371 10.416 1.00 16.40 ? 636 GLY A CA 1 ATOM 2093 C C . GLY A 1 296 ? 13.459 3.354 9.998 1.00 14.74 ? 636 GLY A C 1 ATOM 2094 O O . GLY A 1 296 ? 13.366 2.270 10.562 1.00 16.26 ? 636 GLY A O 1 ATOM 2095 N N . LEU A 1 297 ? 12.652 3.730 9.004 1.00 13.57 ? 637 LEU A N 1 ATOM 2096 C CA . LEU A 1 297 ? 11.662 2.814 8.434 1.00 12.54 ? 637 LEU A CA 1 ATOM 2097 C C . LEU A 1 297 ? 11.874 2.854 6.910 1.00 11.68 ? 637 LEU A C 1 ATOM 2098 O O . LEU A 1 297 ? 11.988 3.964 6.399 1.00 13.75 ? 637 LEU A O 1 ATOM 2099 C CB . LEU A 1 297 ? 10.213 3.222 8.686 1.00 14.72 ? 637 LEU A CB 1 ATOM 2100 C CG . LEU A 1 297 ? 9.757 3.224 10.140 1.00 18.47 ? 637 LEU A CG 1 ATOM 2101 C CD1 . LEU A 1 297 ? 8.376 3.858 10.232 1.00 19.58 ? 637 LEU A CD1 1 ATOM 2102 C CD2 . LEU A 1 297 ? 9.732 1.815 10.707 1.00 19.48 ? 637 LEU A CD2 1 ATOM 2103 N N . VAL A 1 298 ? 11.947 1.698 6.295 1.00 12.69 ? 638 VAL A N 1 ATOM 2104 C CA . VAL A 1 298 ? 12.142 1.721 4.817 1.00 12.07 ? 638 VAL A CA 1 ATOM 2105 C C . VAL A 1 298 ? 11.078 2.572 4.151 1.00 13.04 ? 638 VAL A C 1 ATOM 2106 O O . VAL A 1 298 ? 9.895 2.303 4.340 1.00 13.73 ? 638 VAL A O 1 ATOM 2107 C CB . VAL A 1 298 ? 12.139 0.292 4.286 1.00 14.54 ? 638 VAL A CB 1 ATOM 2108 C CG1 . VAL A 1 298 ? 12.281 0.273 2.769 1.00 15.64 ? 638 VAL A CG1 1 ATOM 2109 C CG2 . VAL A 1 298 ? 13.252 -0.532 4.922 1.00 14.66 ? 638 VAL A CG2 1 ATOM 2110 N N . SER A 1 299 ? 11.473 3.590 3.379 1.00 13.81 ? 639 SER A N 1 ATOM 2111 C CA . SER A 1 299 ? 10.489 4.472 2.756 1.00 13.91 ? 639 SER A CA 1 ATOM 2112 C C . SER A 1 299 ? 10.518 4.414 1.231 1.00 15.87 ? 639 SER A C 1 ATOM 2113 O O . SER A 1 299 ? 9.538 3.961 0.622 1.00 15.87 ? 639 SER A O 1 ATOM 2114 C CB . SER A 1 299 ? 10.715 5.917 3.215 1.00 13.97 ? 639 SER A CB 1 ATOM 2115 O OG . SER A 1 299 ? 9.710 6.785 2.694 1.00 16.93 ? 639 SER A OG 1 ATOM 2116 N N . TRP A 1 300 ? 11.621 4.853 0.652 1.00 15.58 ? 640 TRP A N 1 ATOM 2117 C CA . TRP A 1 300 ? 11.654 4.832 -0.829 1.00 16.65 ? 640 TRP A CA 1 ATOM 2118 C C . TRP A 1 300 ? 13.100 4.961 -1.281 1.00 18.19 ? 640 TRP A C 1 ATOM 2119 O O . TRP A 1 300 ? 13.986 5.210 -0.478 1.00 16.67 ? 640 TRP A O 1 ATOM 2120 C CB . TRP A 1 300 ? 10.846 6.044 -1.327 1.00 17.69 ? 640 TRP A CB 1 ATOM 2121 C CG . TRP A 1 300 ? 11.458 7.384 -1.077 1.00 18.76 ? 640 TRP A CG 1 ATOM 2122 C CD1 . TRP A 1 300 ? 11.448 8.103 0.076 1.00 19.73 ? 640 TRP A CD1 1 ATOM 2123 C CD2 . TRP A 1 300 ? 12.206 8.177 -2.003 1.00 21.33 ? 640 TRP A CD2 1 ATOM 2124 N NE1 . TRP A 1 300 ? 12.132 9.292 -0.070 1.00 20.42 ? 640 TRP A NE1 1 ATOM 2125 C CE2 . TRP A 1 300 ? 12.598 9.352 -1.348 1.00 22.74 ? 640 TRP A CE2 1 ATOM 2126 C CE3 . TRP A 1 300 ? 12.563 7.988 -3.335 1.00 23.92 ? 640 TRP A CE3 1 ATOM 2127 C CZ2 . TRP A 1 300 ? 13.350 10.352 -1.969 1.00 24.41 ? 640 TRP A CZ2 1 ATOM 2128 C CZ3 . TRP A 1 300 ? 13.312 8.976 -3.951 1.00 25.73 ? 640 TRP A CZ3 1 ATOM 2129 C CH2 . TRP A 1 300 ? 13.691 10.134 -3.264 1.00 24.03 ? 640 TRP A CH2 1 ATOM 2130 N N . GLY A 1 301 ? 13.311 4.861 -2.594 1.00 18.60 ? 641 GLY A N 1 ATOM 2131 C CA . GLY A 1 301 ? 14.702 5.032 -3.060 1.00 19.34 ? 641 GLY A CA 1 ATOM 2132 C C . GLY A 1 301 ? 14.629 5.308 -4.565 1.00 22.28 ? 641 GLY A C 1 ATOM 2133 O O . GLY A 1 301 ? 13.709 4.832 -5.200 1.00 21.56 ? 641 GLY A O 1 ATOM 2134 N N . PRO A 1 302 ? 15.603 6.046 -5.053 1.00 24.55 ? 642 PRO A N 1 ATOM 2135 C CA . PRO A 1 302 ? 15.652 6.403 -6.456 1.00 26.05 ? 642 PRO A CA 1 ATOM 2136 C C . PRO A 1 302 ? 15.960 5.252 -7.378 1.00 27.46 ? 642 PRO A C 1 ATOM 2137 O O . PRO A 1 302 ? 15.455 5.240 -8.507 1.00 28.32 ? 642 PRO A O 1 ATOM 2138 C CB . PRO A 1 302 ? 16.723 7.487 -6.494 1.00 26.13 ? 642 PRO A CB 1 ATOM 2139 C CG . PRO A 1 302 ? 17.646 7.147 -5.365 1.00 26.50 ? 642 PRO A CG 1 ATOM 2140 C CD . PRO A 1 302 ? 16.715 6.646 -4.285 1.00 25.16 ? 642 PRO A CD 1 ATOM 2141 N N . GLN A 1 303 ? 16.751 4.275 -6.971 1.00 28.37 ? 643 GLN A N 1 ATOM 2142 C CA . GLN A 1 303 ? 17.080 3.145 -7.851 1.00 29.69 ? 643 GLN A CA 1 ATOM 2143 C C . GLN A 1 303 ? 17.546 1.965 -7.016 1.00 29.29 ? 643 GLN A C 1 ATOM 2144 O O . GLN A 1 303 ? 18.513 2.123 -6.259 1.00 28.64 ? 643 GLN A O 1 ATOM 2145 C CB . GLN A 1 303 ? 18.218 3.596 -8.777 1.00 32.36 ? 643 GLN A CB 1 ATOM 2146 C CG . GLN A 1 303 ? 18.619 2.555 -9.802 1.00 37.74 ? 643 GLN A CG 1 ATOM 2147 C CD . GLN A 1 303 ? 19.881 2.940 -10.544 1.00 41.09 ? 643 GLN A CD 1 ATOM 2148 O OE1 . GLN A 1 303 ? 20.135 4.111 -10.826 1.00 43.01 ? 643 GLN A OE1 1 ATOM 2149 N NE2 . GLN A 1 303 ? 20.707 1.951 -10.864 1.00 41.93 ? 643 GLN A NE2 1 ATOM 2150 N N . CYS A 1 304 ? 16.905 0.810 -7.134 1.00 29.90 ? 644 CYS A N 1 ATOM 2151 C CA . CYS A 1 304 ? 17.287 -0.343 -6.347 1.00 31.51 ? 644 CYS A CA 1 ATOM 2152 C C . CYS A 1 304 ? 18.750 -0.712 -6.517 1.00 31.72 ? 644 CYS A C 1 ATOM 2153 O O . CYS A 1 304 ? 19.277 -0.782 -7.613 1.00 33.07 ? 644 CYS A O 1 ATOM 2154 C CB . CYS A 1 304 ? 16.326 -1.521 -6.510 1.00 33.17 ? 644 CYS A CB 1 ATOM 2155 S SG . CYS A 1 304 ? 14.809 -1.351 -5.525 1.00 35.88 ? 644 CYS A SG 1 ATOM 2156 N N . GLY A 1 305 ? 19.450 -0.911 -5.403 1.00 30.12 ? 645 GLY A N 1 ATOM 2157 C CA . GLY A 1 305 ? 20.849 -1.268 -5.383 1.00 29.68 ? 645 GLY A CA 1 ATOM 2158 C C . GLY A 1 305 ? 21.797 -0.097 -5.241 1.00 29.35 ? 645 GLY A C 1 ATOM 2159 O O . GLY A 1 305 ? 23.013 -0.258 -5.460 1.00 30.29 ? 645 GLY A O 1 ATOM 2160 N N . THR A 1 306 ? 21.314 1.090 -4.916 1.00 28.17 ? 646 THR A N 1 ATOM 2161 C CA . THR A 1 306 ? 22.148 2.271 -4.744 1.00 27.38 ? 646 THR A CA 1 ATOM 2162 C C . THR A 1 306 ? 22.028 2.801 -3.318 1.00 27.18 ? 646 THR A C 1 ATOM 2163 O O . THR A 1 306 ? 22.607 2.214 -2.405 1.00 27.95 ? 646 THR A O 1 ATOM 2164 C CB . THR A 1 306 ? 21.846 3.388 -5.735 1.00 28.34 ? 646 THR A CB 1 ATOM 2165 O OG1 . THR A 1 306 ? 20.483 3.824 -5.647 1.00 26.87 ? 646 THR A OG1 1 ATOM 2166 C CG2 . THR A 1 306 ? 22.112 2.937 -7.164 1.00 29.42 ? 646 THR A CG2 1 ATOM 2167 N N . TYR A 1 307 ? 21.299 3.883 -3.132 1.00 25.32 ? 647 TYR A N 1 ATOM 2168 C CA . TYR A 1 307 ? 21.098 4.450 -1.799 1.00 23.38 ? 647 TYR A CA 1 ATOM 2169 C C . TYR A 1 307 ? 19.587 4.455 -1.554 1.00 23.27 ? 647 TYR A C 1 ATOM 2170 O O . TYR A 1 307 ? 18.833 4.570 -2.518 1.00 24.36 ? 647 TYR A O 1 ATOM 2171 C CB . TYR A 1 307 ? 21.631 5.867 -1.707 1.00 24.04 ? 647 TYR A CB 1 ATOM 2172 C CG . TYR A 1 307 ? 23.138 5.968 -1.739 1.00 27.16 ? 647 TYR A CG 1 ATOM 2173 C CD1 . TYR A 1 307 ? 23.797 6.113 -2.949 1.00 28.63 ? 647 TYR A CD1 1 ATOM 2174 C CD2 . TYR A 1 307 ? 23.894 5.897 -0.586 1.00 27.31 ? 647 TYR A CD2 1 ATOM 2175 C CE1 . TYR A 1 307 ? 25.171 6.201 -2.994 1.00 29.29 ? 647 TYR A CE1 1 ATOM 2176 C CE2 . TYR A 1 307 ? 25.278 5.994 -0.622 1.00 28.22 ? 647 TYR A CE2 1 ATOM 2177 C CZ . TYR A 1 307 ? 25.904 6.145 -1.832 1.00 29.67 ? 647 TYR A CZ 1 ATOM 2178 O OH . TYR A 1 307 ? 27.276 6.240 -1.891 1.00 30.48 ? 647 TYR A OH 1 ATOM 2179 N N . GLY A 1 308 ? 19.176 4.325 -0.310 1.00 19.60 ? 648 GLY A N 1 ATOM 2180 C CA . GLY A 1 308 ? 17.718 4.303 -0.056 1.00 19.14 ? 648 GLY A CA 1 ATOM 2181 C C . GLY A 1 308 ? 17.402 5.348 1.016 1.00 19.31 ? 648 GLY A C 1 ATOM 2182 O O . GLY A 1 308 ? 18.319 5.747 1.730 1.00 18.20 ? 648 GLY A O 1 ATOM 2183 N N . LEU A 1 309 ? 16.151 5.744 1.081 1.00 16.68 ? 649 LEU A N 1 ATOM 2184 C CA . LEU A 1 309 ? 15.687 6.724 2.057 1.00 15.94 ? 649 LEU A CA 1 ATOM 2185 C C . LEU A 1 309 ? 14.802 6.023 3.076 1.00 16.10 ? 649 LEU A C 1 ATOM 2186 O O . LEU A 1 309 ? 14.048 5.095 2.788 1.00 16.52 ? 649 LEU A O 1 ATOM 2187 C CB . LEU A 1 309 ? 14.908 7.854 1.405 1.00 16.95 ? 649 LEU A CB 1 ATOM 2188 C CG . LEU A 1 309 ? 15.632 8.889 0.567 1.00 19.78 ? 649 LEU A CG 1 ATOM 2189 C CD1 . LEU A 1 309 ? 16.843 9.450 1.272 1.00 19.27 ? 649 LEU A CD1 1 ATOM 2190 C CD2 . LEU A 1 309 ? 15.995 8.321 -0.795 1.00 20.53 ? 649 LEU A CD2 1 ATOM 2191 N N . TYR A 1 310 ? 15.018 6.388 4.332 1.00 15.19 ? 650 TYR A N 1 ATOM 2192 C CA . TYR A 1 310 ? 14.323 5.773 5.461 1.00 14.51 ? 650 TYR A CA 1 ATOM 2193 C C . TYR A 1 310 ? 13.737 6.873 6.326 1.00 14.36 ? 650 TYR A C 1 ATOM 2194 O O . TYR A 1 310 ? 14.406 7.879 6.568 1.00 14.38 ? 650 TYR A O 1 ATOM 2195 C CB . TYR A 1 310 ? 15.391 5.014 6.311 1.00 15.33 ? 650 TYR A CB 1 ATOM 2196 C CG . TYR A 1 310 ? 16.029 3.876 5.549 1.00 16.55 ? 650 TYR A CG 1 ATOM 2197 C CD1 . TYR A 1 310 ? 17.083 4.125 4.678 1.00 17.02 ? 650 TYR A CD1 1 ATOM 2198 C CD2 . TYR A 1 310 ? 15.565 2.582 5.661 1.00 16.56 ? 650 TYR A CD2 1 ATOM 2199 C CE1 . TYR A 1 310 ? 17.622 3.112 3.906 1.00 17.97 ? 650 TYR A CE1 1 ATOM 2200 C CE2 . TYR A 1 310 ? 16.121 1.551 4.920 1.00 18.12 ? 650 TYR A CE2 1 ATOM 2201 C CZ . TYR A 1 310 ? 17.147 1.834 4.044 1.00 18.14 ? 650 TYR A CZ 1 ATOM 2202 O OH . TYR A 1 310 ? 17.689 0.805 3.314 1.00 19.34 ? 650 TYR A OH 1 ATOM 2203 N N . THR A 1 311 ? 12.488 6.705 6.773 1.00 13.80 ? 651 THR A N 1 ATOM 2204 C CA . THR A 1 311 ? 11.902 7.749 7.631 1.00 14.45 ? 651 THR A CA 1 ATOM 2205 C C . THR A 1 311 ? 12.694 7.822 8.933 1.00 13.49 ? 651 THR A C 1 ATOM 2206 O O . THR A 1 311 ? 12.949 6.764 9.492 1.00 13.92 ? 651 THR A O 1 ATOM 2207 C CB . THR A 1 311 ? 10.445 7.346 7.932 1.00 15.28 ? 651 THR A CB 1 ATOM 2208 O OG1 . THR A 1 311 ? 9.773 7.194 6.667 1.00 15.64 ? 651 THR A OG1 1 ATOM 2209 C CG2 . THR A 1 311 ? 9.741 8.458 8.693 1.00 15.36 ? 651 THR A CG2 1 ATOM 2210 N N . ARG A 1 312 ? 13.083 9.008 9.348 1.00 14.45 ? 652 ARG A N 1 ATOM 2211 C CA . ARG A 1 312 ? 13.933 9.158 10.555 1.00 15.44 ? 652 ARG A CA 1 ATOM 2212 C C . ARG A 1 312 ? 13.036 9.131 11.777 1.00 14.92 ? 652 ARG A C 1 ATOM 2213 O O . ARG A 1 312 ? 12.438 10.129 12.148 1.00 16.48 ? 652 ARG A O 1 ATOM 2214 C CB . ARG A 1 312 ? 14.656 10.504 10.451 1.00 15.99 ? 652 ARG A CB 1 ATOM 2215 C CG . ARG A 1 312 ? 15.799 10.641 11.473 1.00 19.61 ? 652 ARG A CG 1 ATOM 2216 C CD . ARG A 1 312 ? 16.395 12.038 11.429 1.00 21.34 ? 652 ARG A CD 1 ATOM 2217 N NE . ARG A 1 312 ? 17.067 12.326 10.178 1.00 23.66 ? 652 ARG A NE 1 ATOM 2218 C CZ . ARG A 1 312 ? 18.315 11.948 9.903 1.00 23.24 ? 652 ARG A CZ 1 ATOM 2219 N NH1 . ARG A 1 312 ? 19.032 11.263 10.780 1.00 23.12 ? 652 ARG A NH1 1 ATOM 2220 N NH2 . ARG A 1 312 ? 18.843 12.258 8.741 1.00 24.95 ? 652 ARG A NH2 1 ATOM 2221 N N . VAL A 1 313 ? 12.944 7.970 12.403 1.00 15.78 ? 653 VAL A N 1 ATOM 2222 C CA . VAL A 1 313 ? 12.059 7.723 13.509 1.00 15.56 ? 653 VAL A CA 1 ATOM 2223 C C . VAL A 1 313 ? 12.229 8.692 14.663 1.00 16.27 ? 653 VAL A C 1 ATOM 2224 O O . VAL A 1 313 ? 11.220 9.123 15.225 1.00 16.81 ? 653 VAL A O 1 ATOM 2225 C CB . VAL A 1 313 ? 12.088 6.268 13.943 1.00 15.52 ? 653 VAL A CB 1 ATOM 2226 C CG1 . VAL A 1 313 ? 11.149 5.996 15.100 1.00 15.64 ? 653 VAL A CG1 1 ATOM 2227 C CG2 . VAL A 1 313 ? 11.695 5.350 12.776 1.00 17.25 ? 653 VAL A CG2 1 ATOM 2228 N N . LYS A 1 314 ? 13.447 9.090 14.969 1.00 17.00 ? 654 LYS A N 1 ATOM 2229 C CA . LYS A 1 314 ? 13.679 10.056 16.056 1.00 18.99 ? 654 LYS A CA 1 ATOM 2230 C C . LYS A 1 314 ? 12.833 11.298 15.932 1.00 19.37 ? 654 LYS A C 1 ATOM 2231 O O . LYS A 1 314 ? 12.370 11.849 16.946 1.00 19.21 ? 654 LYS A O 1 ATOM 2232 C CB . LYS A 1 314 ? 15.167 10.409 16.099 1.00 23.29 ? 654 LYS A CB 1 ATOM 2233 C CG . LYS A 1 314 ? 15.536 11.450 17.137 1.00 27.44 ? 654 LYS A CG 1 ATOM 2234 C CD . LYS A 1 314 ? 16.987 11.891 16.985 1.00 30.76 ? 654 LYS A CD 1 ATOM 2235 C CE . LYS A 1 314 ? 17.203 13.210 17.723 1.00 33.86 ? 654 LYS A CE 1 ATOM 2236 N NZ . LYS A 1 314 ? 16.557 13.152 19.045 1.00 35.47 ? 654 LYS A NZ 1 ATOM 2237 N N . ASN A 1 315 ? 12.566 11.804 14.731 1.00 16.93 ? 655 ASN A N 1 ATOM 2238 C CA . ASN A 1 315 ? 11.784 12.982 14.492 1.00 17.54 ? 655 ASN A CA 1 ATOM 2239 C C . ASN A 1 315 ? 10.292 12.818 14.751 1.00 17.94 ? 655 ASN A C 1 ATOM 2240 O O . ASN A 1 315 ? 9.563 13.806 14.689 1.00 20.24 ? 655 ASN A O 1 ATOM 2241 C CB . ASN A 1 315 ? 11.985 13.460 13.048 1.00 17.68 ? 655 ASN A CB 1 ATOM 2242 C CG . ASN A 1 315 ? 13.365 14.056 12.844 1.00 22.21 ? 655 ASN A CG 1 ATOM 2243 O OD1 . ASN A 1 315 ? 14.240 13.981 13.714 1.00 21.98 ? 655 ASN A OD1 1 ATOM 2244 N ND2 . ASN A 1 315 ? 13.582 14.661 11.689 1.00 20.34 ? 655 ASN A ND2 1 ATOM 2245 N N . TYR A 1 316 ? 9.816 11.613 14.984 1.00 16.00 ? 656 TYR A N 1 ATOM 2246 C CA . TYR A 1 316 ? 8.420 11.300 15.180 1.00 17.14 ? 656 TYR A CA 1 ATOM 2247 C C . TYR A 1 316 ? 8.123 10.691 16.529 1.00 18.45 ? 656 TYR A C 1 ATOM 2248 O O . TYR A 1 316 ? 6.978 10.334 16.800 1.00 17.39 ? 656 TYR A O 1 ATOM 2249 C CB . TYR A 1 316 ? 7.985 10.267 14.089 1.00 15.35 ? 656 TYR A CB 1 ATOM 2250 C CG . TYR A 1 316 ? 8.153 10.925 12.731 1.00 16.44 ? 656 TYR A CG 1 ATOM 2251 C CD1 . TYR A 1 316 ? 9.321 10.716 12.020 1.00 15.71 ? 656 TYR A CD1 1 ATOM 2252 C CD2 . TYR A 1 316 ? 7.168 11.766 12.235 1.00 16.29 ? 656 TYR A CD2 1 ATOM 2253 C CE1 . TYR A 1 316 ? 9.517 11.361 10.810 1.00 15.29 ? 656 TYR A CE1 1 ATOM 2254 C CE2 . TYR A 1 316 ? 7.355 12.384 11.006 1.00 16.80 ? 656 TYR A CE2 1 ATOM 2255 C CZ . TYR A 1 316 ? 8.513 12.177 10.320 1.00 15.04 ? 656 TYR A CZ 1 ATOM 2256 O OH . TYR A 1 316 ? 8.711 12.811 9.121 1.00 16.19 ? 656 TYR A OH 1 ATOM 2257 N N . VAL A 1 317 ? 9.137 10.595 17.387 1.00 19.40 ? 657 VAL A N 1 ATOM 2258 C CA . VAL A 1 317 ? 8.926 9.986 18.699 1.00 21.51 ? 657 VAL A CA 1 ATOM 2259 C C . VAL A 1 317 ? 7.837 10.663 19.497 1.00 21.28 ? 657 VAL A C 1 ATOM 2260 O O . VAL A 1 317 ? 7.044 9.950 20.116 1.00 20.68 ? 657 VAL A O 1 ATOM 2261 C CB . VAL A 1 317 ? 10.235 9.879 19.493 1.00 23.58 ? 657 VAL A CB 1 ATOM 2262 C CG1 . VAL A 1 317 ? 9.996 9.410 20.925 1.00 26.03 ? 657 VAL A CG1 1 ATOM 2263 C CG2 . VAL A 1 317 ? 11.167 8.886 18.812 1.00 26.23 ? 657 VAL A CG2 1 ATOM 2264 N N . ASP A 1 318 ? 7.766 11.986 19.491 1.00 21.73 ? 658 ASP A N 1 ATOM 2265 C CA . ASP A 1 318 ? 6.719 12.692 20.224 1.00 22.22 ? 658 ASP A CA 1 ATOM 2266 C C . ASP A 1 318 ? 5.332 12.289 19.730 1.00 20.91 ? 658 ASP A C 1 ATOM 2267 O O . ASP A 1 318 ? 4.432 11.982 20.512 1.00 19.18 ? 658 ASP A O 1 ATOM 2268 C CB . ASP A 1 318 ? 6.918 14.192 20.148 1.00 27.89 ? 658 ASP A CB 1 ATOM 2269 C CG . ASP A 1 318 ? 8.143 14.710 20.875 1.00 33.37 ? 658 ASP A CG 1 ATOM 2270 O OD1 . ASP A 1 318 ? 8.808 13.973 21.632 1.00 34.63 ? 658 ASP A OD1 1 ATOM 2271 O OD2 . ASP A 1 318 ? 8.446 15.913 20.680 1.00 37.48 ? 658 ASP A OD2 1 ATOM 2272 N N . TRP A 1 319 ? 5.145 12.271 18.404 1.00 18.62 ? 659 TRP A N 1 ATOM 2273 C CA . TRP A 1 319 ? 3.859 11.865 17.830 1.00 17.17 ? 659 TRP A CA 1 ATOM 2274 C C . TRP A 1 319 ? 3.548 10.414 18.112 1.00 14.61 ? 659 TRP A C 1 ATOM 2275 O O . TRP A 1 319 ? 2.395 10.048 18.349 1.00 15.57 ? 659 TRP A O 1 ATOM 2276 C CB . TRP A 1 319 ? 3.881 12.134 16.309 1.00 18.15 ? 659 TRP A CB 1 ATOM 2277 C CG . TRP A 1 319 ? 2.661 11.623 15.605 1.00 18.47 ? 659 TRP A CG 1 ATOM 2278 C CD1 . TRP A 1 319 ? 1.448 12.254 15.502 1.00 19.79 ? 659 TRP A CD1 1 ATOM 2279 C CD2 . TRP A 1 319 ? 2.520 10.385 14.901 1.00 18.62 ? 659 TRP A CD2 1 ATOM 2280 N NE1 . TRP A 1 319 ? 0.571 11.476 14.798 1.00 20.88 ? 659 TRP A NE1 1 ATOM 2281 C CE2 . TRP A 1 319 ? 1.206 10.318 14.422 1.00 19.14 ? 659 TRP A CE2 1 ATOM 2282 C CE3 . TRP A 1 319 ? 3.386 9.315 14.651 1.00 19.22 ? 659 TRP A CE3 1 ATOM 2283 C CZ2 . TRP A 1 319 ? 0.729 9.240 13.683 1.00 21.23 ? 659 TRP A CZ2 1 ATOM 2284 C CZ3 . TRP A 1 319 ? 2.914 8.236 13.925 1.00 19.66 ? 659 TRP A CZ3 1 ATOM 2285 C CH2 . TRP A 1 319 ? 1.598 8.204 13.444 1.00 18.08 ? 659 TRP A CH2 1 ATOM 2286 N N . ILE A 1 320 ? 4.554 9.539 18.071 1.00 13.34 ? 660 ILE A N 1 ATOM 2287 C CA . ILE A 1 320 ? 4.351 8.113 18.328 1.00 14.75 ? 660 ILE A CA 1 ATOM 2288 C C . ILE A 1 320 ? 3.891 7.930 19.775 1.00 16.28 ? 660 ILE A C 1 ATOM 2289 O O . ILE A 1 320 ? 2.892 7.257 20.017 1.00 16.00 ? 660 ILE A O 1 ATOM 2290 C CB . ILE A 1 320 ? 5.629 7.303 18.096 1.00 15.18 ? 660 ILE A CB 1 ATOM 2291 C CG1 . ILE A 1 320 ? 5.968 7.255 16.591 1.00 15.61 ? 660 ILE A CG1 1 ATOM 2292 C CG2 . ILE A 1 320 ? 5.513 5.894 18.634 1.00 16.61 ? 660 ILE A CG2 1 ATOM 2293 C CD1 . ILE A 1 320 ? 7.405 6.796 16.333 1.00 15.47 ? 660 ILE A CD1 1 ATOM 2294 N N . MET A 1 321 ? 4.621 8.572 20.690 1.00 16.94 ? 661 MET A N 1 ATOM 2295 C CA . MET A 1 321 ? 4.230 8.416 22.099 1.00 19.85 ? 661 MET A CA 1 ATOM 2296 C C . MET A 1 321 ? 2.861 8.992 22.378 1.00 18.59 ? 661 MET A C 1 ATOM 2297 O O . MET A 1 321 ? 2.067 8.411 23.138 1.00 21.05 ? 661 MET A O 1 ATOM 2298 C CB . MET A 1 321 ? 5.292 9.025 23.013 1.00 22.06 ? 661 MET A CB 1 ATOM 2299 C CG . MET A 1 321 ? 6.658 8.353 22.881 1.00 26.03 ? 661 MET A CG 1 ATOM 2300 S SD . MET A 1 321 ? 6.600 6.578 23.176 1.00 30.17 ? 661 MET A SD 1 ATOM 2301 C CE . MET A 1 321 ? 6.141 6.573 24.906 1.00 30.71 ? 661 MET A CE 1 ATOM 2302 N N . LYS A 1 322 ? 2.534 10.141 21.814 1.00 19.28 ? 662 LYS A N 1 ATOM 2303 C CA . LYS A 1 322 ? 1.238 10.783 22.024 1.00 20.73 ? 662 LYS A CA 1 ATOM 2304 C C . LYS A 1 322 ? 0.121 9.915 21.478 1.00 20.98 ? 662 LYS A C 1 ATOM 2305 O O . LYS A 1 322 ? -0.898 9.658 22.110 1.00 20.47 ? 662 LYS A O 1 ATOM 2306 C CB . LYS A 1 322 ? 1.243 12.173 21.431 1.00 22.80 ? 662 LYS A CB 1 ATOM 2307 C CG . LYS A 1 322 ? -0.075 12.919 21.393 1.00 29.23 ? 662 LYS A CG 1 ATOM 2308 C CD . LYS A 1 322 ? 0.064 14.177 20.550 1.00 33.63 ? 662 LYS A CD 1 ATOM 2309 C CE . LYS A 1 322 ? -1.299 14.755 20.186 1.00 37.10 ? 662 LYS A CE 1 ATOM 2310 N NZ . LYS A 1 322 ? -1.323 16.221 20.491 1.00 39.97 ? 662 LYS A NZ 1 ATOM 2311 N N . THR A 1 323 ? 0.331 9.390 20.260 1.00 19.84 ? 663 THR A N 1 ATOM 2312 C CA . THR A 1 323 ? -0.675 8.524 19.662 1.00 19.22 ? 663 THR A CA 1 ATOM 2313 C C . THR A 1 323 ? -0.952 7.289 20.475 1.00 19.68 ? 663 THR A C 1 ATOM 2314 O O . THR A 1 323 ? -2.100 6.880 20.662 1.00 20.38 ? 663 THR A O 1 ATOM 2315 C CB . THR A 1 323 ? -0.269 8.173 18.212 1.00 17.41 ? 663 THR A CB 1 ATOM 2316 O OG1 . THR A 1 323 ? -0.128 9.420 17.532 1.00 18.76 ? 663 THR A OG1 1 ATOM 2317 C CG2 . THR A 1 323 ? -1.348 7.320 17.573 1.00 20.38 ? 663 THR A CG2 1 ATOM 2318 N N . MET A 1 324 ? 0.091 6.650 21.020 1.00 18.80 ? 664 MET A N 1 ATOM 2319 C CA . MET A 1 324 ? -0.093 5.459 21.816 1.00 21.89 ? 664 MET A CA 1 ATOM 2320 C C . MET A 1 324 ? -0.757 5.789 23.145 1.00 22.87 ? 664 MET A C 1 ATOM 2321 O O . MET A 1 324 ? -1.606 5.020 23.577 1.00 24.66 ? 664 MET A O 1 ATOM 2322 C CB . MET A 1 324 ? 1.217 4.709 22.037 1.00 22.41 ? 664 MET A CB 1 ATOM 2323 C CG . MET A 1 324 ? 1.688 4.041 20.739 1.00 21.62 ? 664 MET A CG 1 ATOM 2324 S SD . MET A 1 324 ? 3.121 3.003 20.990 1.00 26.46 ? 664 MET A SD 1 ATOM 2325 C CE . MET A 1 324 ? 4.294 4.150 21.689 1.00 25.45 ? 664 MET A CE 1 ATOM 2326 N N . GLN A 1 325 ? -0.368 6.892 23.749 1.00 25.09 ? 665 GLN A N 1 ATOM 2327 C CA . GLN A 1 325 ? -0.936 7.261 25.042 1.00 27.55 ? 665 GLN A CA 1 ATOM 2328 C C . GLN A 1 325 ? -2.402 7.625 24.956 1.00 28.97 ? 665 GLN A C 1 ATOM 2329 O O . GLN A 1 325 ? -3.206 7.236 25.801 1.00 29.12 ? 665 GLN A O 1 ATOM 2330 C CB . GLN A 1 325 ? -0.117 8.393 25.664 1.00 28.56 ? 665 GLN A CB 1 ATOM 2331 C CG . GLN A 1 325 ? 1.249 7.927 26.160 1.00 32.86 ? 665 GLN A CG 1 ATOM 2332 C CD . GLN A 1 325 ? 2.268 9.043 26.243 0.50 33.25 ? 665 GLN A CD 1 ATOM 2333 O OE1 . GLN A 1 325 ? 1.952 10.217 26.054 0.50 34.10 ? 665 GLN A OE1 1 ATOM 2334 N NE2 . GLN A 1 325 ? 3.516 8.685 26.533 0.50 33.45 ? 665 GLN A NE2 1 ATOM 2335 N N . GLU A 1 326 ? -2.785 8.371 23.933 1.00 30.23 ? 666 GLU A N 1 ATOM 2336 C CA . GLU A 1 326 ? -4.157 8.808 23.744 1.00 32.03 ? 666 GLU A CA 1 ATOM 2337 C C . GLU A 1 326 ? -5.068 7.740 23.199 1.00 32.23 ? 666 GLU A C 1 ATOM 2338 O O . GLU A 1 326 ? -6.301 7.892 23.209 1.00 33.05 ? 666 GLU A O 1 ATOM 2339 C CB . GLU A 1 326 ? -4.177 10.101 22.925 1.00 35.06 ? 666 GLU A CB 1 ATOM 2340 C CG . GLU A 1 326 ? -3.476 11.236 23.667 1.00 39.40 ? 666 GLU A CG 1 ATOM 2341 C CD . GLU A 1 326 ? -3.395 12.534 22.916 1.00 42.39 ? 666 GLU A CD 1 ATOM 2342 O OE1 . GLU A 1 326 ? -3.819 12.608 21.749 1.00 44.45 ? 666 GLU A OE1 1 ATOM 2343 O OE2 . GLU A 1 326 ? -2.883 13.528 23.490 1.00 45.36 ? 666 GLU A OE2 1 ATOM 2344 N N . ASN A 1 327 ? -4.517 6.632 22.726 1.00 31.18 ? 667 ASN A N 1 ATOM 2345 C CA . ASN A 1 327 ? -5.281 5.523 22.186 1.00 32.24 ? 667 ASN A CA 1 ATOM 2346 C C . ASN A 1 327 ? -5.015 4.217 22.908 1.00 34.14 ? 667 ASN A C 1 ATOM 2347 O O . ASN A 1 327 ? -4.953 3.137 22.322 1.00 34.53 ? 667 ASN A O 1 ATOM 2348 C CB . ASN A 1 327 ? -5.004 5.375 20.689 1.00 30.99 ? 667 ASN A CB 1 ATOM 2349 C CG . ASN A 1 327 ? -5.488 6.604 19.940 1.00 29.48 ? 667 ASN A CG 1 ATOM 2350 O OD1 . ASN A 1 327 ? -6.680 6.716 19.638 1.00 28.60 ? 667 ASN A OD1 1 ATOM 2351 N ND2 . ASN A 1 327 ? -4.575 7.533 19.702 1.00 27.59 ? 667 ASN A ND2 1 ATOM 2352 N N . SER A 1 328 ? -4.864 4.309 24.217 1.00 36.42 ? 668 SER A N 1 ATOM 2353 C CA . SER A 1 328 ? -4.607 3.163 25.066 1.00 39.45 ? 668 SER A CA 1 ATOM 2354 C C . SER A 1 328 ? -5.868 2.755 25.824 1.00 40.69 ? 668 SER A C 1 ATOM 2355 O O . SER A 1 328 ? -5.995 1.541 26.100 1.00 42.20 ? 668 SER A O 1 ATOM 2356 C CB . SER A 1 328 ? -3.484 3.480 26.056 1.00 41.47 ? 668 SER A CB 1 ATOM 2357 O OG . SER A 1 328 ? -3.337 2.418 26.983 1.00 46.20 ? 668 SER A OG 1 HETATM 2358 C C1 . NAG B 2 . ? -5.033 -5.576 53.386 1.00 23.62 ? 1001 NAG A C1 1 HETATM 2359 C C2 . NAG B 2 . ? -6.233 -5.230 52.272 1.00 26.01 ? 1001 NAG A C2 1 HETATM 2360 C C3 . NAG B 2 . ? -5.538 -4.442 51.305 1.00 25.13 ? 1001 NAG A C3 1 HETATM 2361 C C4 . NAG B 2 . ? -4.634 -3.382 51.427 1.00 23.12 ? 1001 NAG A C4 1 HETATM 2362 C C5 . NAG B 2 . ? -3.376 -4.117 52.502 1.00 22.16 ? 1001 NAG A C5 1 HETATM 2363 C C6 . NAG B 2 . ? -2.452 -3.138 52.953 1.00 26.31 ? 1001 NAG A C6 1 HETATM 2364 C C7 . NAG B 2 . ? -8.208 -6.405 52.254 1.00 42.04 ? 1001 NAG A C7 1 HETATM 2365 C C8 . NAG B 2 . ? -9.201 -7.337 52.043 1.00 42.58 ? 1001 NAG A C8 1 HETATM 2366 N N2 . NAG B 2 . ? -7.035 -6.227 51.915 1.00 28.65 ? 1001 NAG A N2 1 HETATM 2367 O O3 . NAG B 2 . ? -6.606 -3.704 50.409 1.00 31.70 ? 1001 NAG A O3 1 HETATM 2368 O O4 . NAG B 2 . ? -3.665 -2.726 50.746 1.00 25.28 ? 1001 NAG A O4 1 HETATM 2369 O O5 . NAG B 2 . ? -4.181 -4.749 53.474 1.00 25.60 ? 1001 NAG A O5 1 HETATM 2370 O O6 . NAG B 2 . ? -1.719 -4.287 53.853 1.00 32.62 ? 1001 NAG A O6 1 HETATM 2371 O O7 . NAG B 2 . ? -8.926 -5.382 53.086 1.00 40.58 ? 1001 NAG A O7 1 HETATM 2372 C C1 . NAG C 2 . ? -4.205 -1.539 50.222 1.00 26.50 ? 1002 NAG A C1 1 HETATM 2373 C C2 . NAG C 2 . ? -3.161 -0.735 49.642 1.00 23.07 ? 1002 NAG A C2 1 HETATM 2374 C C3 . NAG C 2 . ? -3.762 0.619 49.244 1.00 31.64 ? 1002 NAG A C3 1 HETATM 2375 C C4 . NAG C 2 . ? -4.743 -0.027 48.256 1.00 37.40 ? 1002 NAG A C4 1 HETATM 2376 C C5 . NAG C 2 . ? -5.800 -0.689 48.680 1.00 43.56 ? 1002 NAG A C5 1 HETATM 2377 C C6 . NAG C 2 . ? -6.899 -1.036 47.547 1.00 31.46 ? 1002 NAG A C6 1 HETATM 2378 C C7 . NAG C 2 . ? -1.015 -0.575 50.889 1.00 36.03 ? 1002 NAG A C7 1 HETATM 2379 C C8 . NAG C 2 . ? -0.069 -0.723 52.248 1.00 31.79 ? 1002 NAG A C8 1 HETATM 2380 N N2 . NAG C 2 . ? -2.219 -0.418 50.772 1.00 29.44 ? 1002 NAG A N2 1 HETATM 2381 O O3 . NAG C 2 . ? -2.639 1.118 48.644 1.00 38.40 ? 1002 NAG A O3 1 HETATM 2382 O O4 . NAG C 2 . ? -5.420 1.499 47.821 1.00 52.66 ? 1002 NAG A O4 1 HETATM 2383 O O5 . NAG C 2 . ? -5.133 -1.993 49.247 1.00 34.91 ? 1002 NAG A O5 1 HETATM 2384 O O6 . NAG C 2 . ? -7.486 -2.162 47.813 1.00 51.23 ? 1002 NAG A O6 1 HETATM 2385 O O7 . NAG C 2 . ? -0.359 -1.738 50.273 1.00 36.99 ? 1002 NAG A O7 1 HETATM 2386 C C1 . FUC D 3 . ? -1.668 -4.074 55.235 1.00 32.92 ? 1003 FUC A C1 1 HETATM 2387 C C2 . FUC D 3 . ? -1.216 -5.233 56.011 1.00 22.56 ? 1003 FUC A C2 1 HETATM 2388 C C3 . FUC D 3 . ? 0.059 -5.924 55.479 1.00 24.13 ? 1003 FUC A C3 1 HETATM 2389 C C4 . FUC D 3 . ? 1.344 -4.979 55.673 1.00 28.50 ? 1003 FUC A C4 1 HETATM 2390 C C5 . FUC D 3 . ? 0.433 -3.396 54.974 1.00 29.19 ? 1003 FUC A C5 1 HETATM 2391 C C6 . FUC D 3 . ? 1.815 -2.471 55.157 1.00 39.55 ? 1003 FUC A C6 1 HETATM 2392 O O2 . FUC D 3 . ? -2.209 -6.213 55.773 1.00 29.73 ? 1003 FUC A O2 1 HETATM 2393 O O3 . FUC D 3 . ? 0.569 -7.227 56.248 1.00 24.57 ? 1003 FUC A O3 1 HETATM 2394 O O4 . FUC D 3 . ? 1.361 -4.570 57.094 1.00 28.46 ? 1003 FUC A O4 1 HETATM 2395 O O5 . FUC D 3 . ? -0.666 -3.181 55.294 1.00 31.90 ? 1003 FUC A O5 1 HETATM 2396 S S . SO4 E 4 . ? 6.791 -0.480 -2.076 1.00 33.48 ? 2001 SO4 A S 1 HETATM 2397 O O1 . SO4 E 4 . ? 8.167 -0.800 -1.553 1.00 34.72 ? 2001 SO4 A O1 1 HETATM 2398 O O2 . SO4 E 4 . ? 5.915 -0.247 -0.878 1.00 33.51 ? 2001 SO4 A O2 1 HETATM 2399 O O3 . SO4 E 4 . ? 6.828 0.761 -2.895 1.00 35.58 ? 2001 SO4 A O3 1 HETATM 2400 O O4 . SO4 E 4 . ? 6.289 -1.617 -2.882 1.00 33.96 ? 2001 SO4 A O4 1 HETATM 2401 S S . SO4 F 4 . ? 13.469 -16.539 -1.811 0.80 22.28 ? 2002 SO4 A S 1 HETATM 2402 O O1 . SO4 F 4 . ? 14.366 -15.408 -2.110 0.80 24.68 ? 2002 SO4 A O1 1 HETATM 2403 O O2 . SO4 F 4 . ? 13.348 -16.721 -0.335 0.80 25.79 ? 2002 SO4 A O2 1 HETATM 2404 O O3 . SO4 F 4 . ? 12.117 -16.313 -2.406 0.80 23.44 ? 2002 SO4 A O3 1 HETATM 2405 O O4 . SO4 F 4 . ? 14.020 -17.820 -2.402 0.50 25.81 ? 2002 SO4 A O4 1 HETATM 2406 N N4 . NES G 5 . ? 7.821 16.140 13.456 0.90 28.88 ? 2003 NES A N4 1 HETATM 2407 C C7 . NES G 5 . ? 7.276 16.908 14.580 0.90 28.56 ? 2003 NES A C7 1 HETATM 2408 C C8 . NES G 5 . ? 7.481 16.127 15.796 0.90 27.33 ? 2003 NES A C8 1 HETATM 2409 S S . NES G 5 . ? 6.156 14.926 15.918 0.90 26.13 ? 2003 NES A S 1 HETATM 2410 O O1S . NES G 5 . ? 5.791 14.635 14.537 0.90 25.52 ? 2003 NES A O1S 1 HETATM 2411 O O2S . NES G 5 . ? 5.104 15.581 16.654 0.90 26.05 ? 2003 NES A O2S 1 HETATM 2412 O O3S . NES G 5 . ? 6.774 13.796 16.586 0.90 24.17 ? 2003 NES A O3S 1 HETATM 2413 O O1 . NES G 5 . ? 10.431 16.335 12.053 0.50 27.49 ? 2003 NES A O1 1 HETATM 2414 C C2 . NES G 5 . ? 9.469 17.369 12.216 0.90 28.97 ? 2003 NES A C2 1 HETATM 2415 C C3 . NES G 5 . ? 7.999 16.879 12.197 0.90 28.39 ? 2003 NES A C3 1 HETATM 2416 C C4 . NES G 5 . ? 6.879 17.986 12.306 0.90 29.58 ? 2003 NES A C4 1 HETATM 2417 O O5 . NES G 5 . ? 5.529 17.427 12.247 0.90 28.22 ? 2003 NES A O5 1 HETATM 2418 C C6 . NES G 5 . ? 7.740 16.030 10.913 0.90 27.51 ? 2003 NES A C6 1 HETATM 2419 O O7 . NES G 5 . ? 7.703 16.743 9.659 0.90 24.62 ? 2003 NES A O7 1 HETATM 2420 O O . HOH H 6 . ? 10.908 -4.476 10.852 1.00 16.26 ? 1 HOH A O 1 HETATM 2421 O O . HOH H 6 . ? 7.843 -11.652 13.826 1.00 17.66 ? 2 HOH A O 1 HETATM 2422 O O . HOH H 6 . ? 30.930 2.254 10.322 1.00 18.93 ? 3 HOH A O 1 HETATM 2423 O O . HOH H 6 . ? 10.563 -5.029 5.570 1.00 18.22 ? 4 HOH A O 1 HETATM 2424 O O . HOH H 6 . ? 4.317 17.170 9.865 1.00 19.85 ? 5 HOH A O 1 HETATM 2425 O O . HOH H 6 . ? 14.122 -9.459 0.507 1.00 20.76 ? 6 HOH A O 1 HETATM 2426 O O . HOH H 6 . ? 4.239 13.019 1.957 1.00 16.08 ? 7 HOH A O 1 HETATM 2427 O O . HOH H 6 . ? 0.676 -8.624 -2.129 1.00 23.44 ? 8 HOH A O 1 HETATM 2428 O O . HOH H 6 . ? 3.705 -3.924 57.745 1.00 19.54 ? 9 HOH A O 1 HETATM 2429 O O . HOH H 6 . ? 16.083 8.069 14.076 1.00 17.70 ? 10 HOH A O 1 HETATM 2430 O O . HOH H 6 . ? 14.759 -4.881 11.114 1.00 19.20 ? 11 HOH A O 1 HETATM 2431 O O . HOH H 6 . ? 10.223 12.041 -1.517 1.00 19.70 ? 12 HOH A O 1 HETATM 2432 O O . HOH H 6 . ? 18.226 7.550 15.633 1.00 21.93 ? 13 HOH A O 1 HETATM 2433 O O . HOH H 6 . ? 13.393 -8.377 22.820 1.00 25.70 ? 14 HOH A O 1 HETATM 2434 O O . HOH H 6 . ? 2.050 -9.965 25.061 1.00 24.81 ? 15 HOH A O 1 HETATM 2435 O O . HOH H 6 . ? 4.127 15.694 2.924 1.00 17.48 ? 16 HOH A O 1 HETATM 2436 O O . HOH H 6 . ? 21.363 10.319 6.214 1.00 22.29 ? 17 HOH A O 1 HETATM 2437 O O . HOH H 6 . ? 9.358 -0.183 21.519 1.00 24.19 ? 18 HOH A O 1 HETATM 2438 O O . HOH H 6 . ? 12.330 -12.917 20.437 1.00 26.47 ? 19 HOH A O 1 HETATM 2439 O O . HOH H 6 . ? 10.056 11.043 6.054 1.00 25.35 ? 20 HOH A O 1 HETATM 2440 O O . HOH H 6 . ? 8.770 3.296 -1.992 1.00 23.13 ? 21 HOH A O 1 HETATM 2441 O O . HOH H 6 . ? 6.853 -7.156 48.594 1.00 24.85 ? 22 HOH A O 1 HETATM 2442 O O . HOH H 6 . ? -1.772 -6.158 4.531 1.00 27.62 ? 23 HOH A O 1 HETATM 2443 O O . HOH H 6 . ? 6.108 -19.355 52.442 1.00 26.11 ? 24 HOH A O 1 HETATM 2444 O O . HOH H 6 . ? 6.084 -13.567 9.534 1.00 24.23 ? 25 HOH A O 1 HETATM 2445 O O . HOH H 6 . ? 9.176 -6.939 3.663 1.00 16.76 ? 26 HOH A O 1 HETATM 2446 O O . HOH H 6 . ? 13.869 -3.372 7.401 1.00 24.67 ? 27 HOH A O 1 HETATM 2447 O O . HOH H 6 . ? 7.315 -16.774 19.168 1.00 30.26 ? 28 HOH A O 1 HETATM 2448 O O . HOH H 6 . ? -11.035 2.145 13.508 1.00 23.57 ? 29 HOH A O 1 HETATM 2449 O O . HOH H 6 . ? 6.479 -11.123 10.198 1.00 23.93 ? 30 HOH A O 1 HETATM 2450 O O . HOH H 6 . ? 24.912 -0.548 1.232 1.00 28.12 ? 31 HOH A O 1 HETATM 2451 O O . HOH H 6 . ? 9.117 -5.480 -7.874 1.00 27.16 ? 32 HOH A O 1 HETATM 2452 O O . HOH H 6 . ? 24.997 -7.585 5.239 1.00 33.29 ? 33 HOH A O 1 HETATM 2453 O O . HOH H 6 . ? 15.886 -14.232 -3.913 1.00 27.05 ? 34 HOH A O 1 HETATM 2454 O O . HOH H 6 . ? -7.140 5.024 9.239 1.00 27.00 ? 35 HOH A O 1 HETATM 2455 O O . HOH H 6 . ? 9.677 -9.564 24.107 1.00 25.54 ? 36 HOH A O 1 HETATM 2456 O O . HOH H 6 . ? -2.973 -9.973 45.893 1.00 28.57 ? 37 HOH A O 1 HETATM 2457 O O . HOH H 6 . ? 18.587 10.391 13.544 1.00 23.89 ? 38 HOH A O 1 HETATM 2458 O O . HOH H 6 . ? -5.042 8.148 10.148 1.00 26.42 ? 39 HOH A O 1 HETATM 2459 O O . HOH H 6 . ? 5.658 -18.641 45.181 1.00 26.61 ? 40 HOH A O 1 HETATM 2460 O O . HOH H 6 . ? 0.817 -9.432 32.995 1.00 28.04 ? 41 HOH A O 1 HETATM 2461 O O . HOH H 6 . ? -0.265 -13.316 19.616 1.00 32.81 ? 42 HOH A O 1 HETATM 2462 O O . HOH H 6 . ? 3.865 13.246 -4.585 1.00 30.34 ? 43 HOH A O 1 HETATM 2463 O O . HOH H 6 . ? -6.468 -13.698 49.140 1.00 30.99 ? 44 HOH A O 1 HETATM 2464 O O . HOH H 6 . ? 5.859 -6.874 -8.903 1.00 29.42 ? 45 HOH A O 1 HETATM 2465 O O . HOH H 6 . ? 22.259 5.617 17.428 1.00 29.55 ? 46 HOH A O 1 HETATM 2466 O O . HOH H 6 . ? 6.712 -2.557 0.427 1.00 24.47 ? 47 HOH A O 1 HETATM 2467 O O . HOH H 6 . ? 10.505 9.224 4.066 1.00 32.33 ? 48 HOH A O 1 HETATM 2468 O O . HOH H 6 . ? -5.714 -16.062 46.563 1.00 30.80 ? 49 HOH A O 1 HETATM 2469 O O . HOH H 6 . ? 10.852 3.834 -4.069 1.00 31.12 ? 50 HOH A O 1 HETATM 2470 O O . HOH H 6 . ? 2.103 6.473 -2.634 1.00 32.14 ? 51 HOH A O 1 HETATM 2471 O O . HOH H 6 . ? 19.323 1.474 1.339 1.00 25.04 ? 52 HOH A O 1 HETATM 2472 O O . HOH H 6 . ? 8.231 18.062 6.923 1.00 35.02 ? 53 HOH A O 1 HETATM 2473 O O . HOH H 6 . ? -1.797 1.125 0.758 1.00 29.60 ? 54 HOH A O 1 HETATM 2474 O O . HOH H 6 . ? -5.013 -11.519 47.611 1.00 30.83 ? 55 HOH A O 1 HETATM 2475 O O . HOH H 6 . ? -2.648 -9.074 17.966 1.00 28.12 ? 56 HOH A O 1 HETATM 2476 O O . HOH H 6 . ? -2.492 8.438 -0.779 1.00 38.36 ? 57 HOH A O 1 HETATM 2477 O O . HOH H 6 . ? 24.046 -0.084 -2.386 1.00 35.81 ? 58 HOH A O 1 HETATM 2478 O O . HOH H 6 . ? 9.691 -19.762 10.494 1.00 33.31 ? 59 HOH A O 1 HETATM 2479 O O . HOH H 6 . ? -1.903 -12.776 44.546 1.00 30.90 ? 60 HOH A O 1 HETATM 2480 O O . HOH H 6 . ? 12.909 -10.764 24.006 1.00 36.81 ? 61 HOH A O 1 HETATM 2481 O O . HOH H 6 . ? -12.000 -1.230 14.952 1.00 31.40 ? 62 HOH A O 1 HETATM 2482 O O . HOH H 6 . ? 19.337 -8.793 14.550 1.00 34.17 ? 63 HOH A O 1 HETATM 2483 O O . HOH H 6 . ? -6.696 8.358 12.310 1.00 43.63 ? 64 HOH A O 1 HETATM 2484 O O . HOH H 6 . ? -1.764 2.317 23.641 1.00 33.25 ? 65 HOH A O 1 HETATM 2485 O O . HOH H 6 . ? 9.690 13.696 18.104 1.00 29.30 ? 66 HOH A O 1 HETATM 2486 O O . HOH H 6 . ? 14.305 -13.606 18.732 1.00 35.14 ? 67 HOH A O 1 HETATM 2487 O O . HOH H 6 . ? 13.101 -8.149 20.224 1.00 26.90 ? 68 HOH A O 1 HETATM 2488 O O . HOH H 6 . ? 24.259 -0.696 14.797 1.00 30.68 ? 69 HOH A O 1 HETATM 2489 O O . HOH H 6 . ? -1.954 12.127 6.484 1.00 32.47 ? 70 HOH A O 1 HETATM 2490 O O . HOH H 6 . ? 11.926 0.695 -1.023 1.00 34.19 ? 71 HOH A O 1 HETATM 2491 O O . HOH H 6 . ? 11.227 -12.910 -10.309 1.00 31.03 ? 72 HOH A O 1 HETATM 2492 O O . HOH H 6 . ? -2.153 15.111 5.214 1.00 28.15 ? 73 HOH A O 1 HETATM 2493 O O . HOH H 6 . ? 15.532 -16.832 5.177 1.00 31.04 ? 74 HOH A O 1 HETATM 2494 O O . HOH H 6 . ? 5.064 -15.756 20.178 1.00 31.87 ? 75 HOH A O 1 HETATM 2495 O O . HOH H 6 . ? 16.350 15.953 11.413 1.00 40.39 ? 76 HOH A O 1 HETATM 2496 O O . HOH H 6 . ? 0.252 -19.512 59.190 1.00 34.23 ? 77 HOH A O 1 HETATM 2497 O O . HOH H 6 . ? 4.204 -4.833 37.992 1.00 32.62 ? 78 HOH A O 1 HETATM 2498 O O . HOH H 6 . ? 4.740 -14.566 7.522 1.00 38.66 ? 79 HOH A O 1 HETATM 2499 O O . HOH H 6 . ? 13.201 -15.184 -10.512 1.00 41.18 ? 80 HOH A O 1 HETATM 2500 O O . HOH H 6 . ? 14.815 2.719 1.451 1.00 30.11 ? 81 HOH A O 1 HETATM 2501 O O . HOH H 6 . ? -6.736 -9.335 47.952 1.00 37.51 ? 82 HOH A O 1 HETATM 2502 O O . HOH H 6 . ? -2.281 11.770 14.435 1.00 34.91 ? 83 HOH A O 1 HETATM 2503 O O . HOH H 6 . ? 4.578 13.066 23.156 1.00 32.39 ? 84 HOH A O 1 HETATM 2504 O O . HOH H 6 . ? 17.924 10.829 -6.866 1.00 39.39 ? 85 HOH A O 1 HETATM 2505 O O . HOH H 6 . ? 1.845 -2.782 50.818 1.00 36.31 ? 86 HOH A O 1 HETATM 2506 O O . HOH H 6 . ? 6.074 -19.770 47.762 1.00 37.88 ? 87 HOH A O 1 HETATM 2507 O O . HOH H 6 . ? -6.934 -2.822 21.225 1.00 35.31 ? 88 HOH A O 1 HETATM 2508 O O . HOH H 6 . ? 9.651 5.731 -5.878 1.00 47.76 ? 89 HOH A O 1 HETATM 2509 O O . HOH H 6 . ? 21.883 -16.499 2.354 1.00 42.46 ? 90 HOH A O 1 HETATM 2510 O O . HOH H 6 . ? -4.960 -8.463 16.884 1.00 38.83 ? 91 HOH A O 1 HETATM 2511 O O . HOH H 6 . ? 11.363 -18.874 -7.377 1.00 48.85 ? 92 HOH A O 1 HETATM 2512 O O . HOH H 6 . ? 28.582 6.082 4.811 1.00 34.58 ? 93 HOH A O 1 HETATM 2513 O O . HOH H 6 . ? 21.372 10.806 8.908 1.00 31.14 ? 94 HOH A O 1 HETATM 2514 O O . HOH H 6 . ? 12.813 -3.570 27.193 1.00 38.22 ? 95 HOH A O 1 HETATM 2515 O O . HOH H 6 . ? 23.017 14.723 5.273 1.00 36.30 ? 96 HOH A O 1 HETATM 2516 O O . HOH H 6 . ? -0.828 -8.683 35.109 1.00 41.22 ? 97 HOH A O 1 HETATM 2517 O O . HOH H 6 . ? 5.959 17.684 2.964 1.00 38.00 ? 98 HOH A O 1 HETATM 2518 O O . HOH H 6 . ? 4.366 -20.082 50.219 1.00 32.32 ? 99 HOH A O 1 HETATM 2519 O O . HOH H 6 . ? 4.832 -20.086 55.359 1.00 38.74 ? 100 HOH A O 1 HETATM 2520 O O . HOH H 6 . ? 2.094 -22.139 40.769 1.00 35.91 ? 101 HOH A O 1 HETATM 2521 O O . HOH H 6 . ? 26.432 -0.230 -3.722 1.00 36.18 ? 102 HOH A O 1 HETATM 2522 O O . HOH H 6 . ? 11.677 -8.322 -10.613 1.00 44.10 ? 103 HOH A O 1 HETATM 2523 O O . HOH H 6 . ? -1.137 18.087 17.821 1.00 36.47 ? 104 HOH A O 1 HETATM 2524 O O . HOH H 6 . ? 1.186 -19.486 37.439 1.00 39.00 ? 105 HOH A O 1 HETATM 2525 O O . HOH H 6 . ? -2.333 -11.560 18.898 1.00 37.51 ? 106 HOH A O 1 HETATM 2526 O O . HOH H 6 . ? 0.287 -3.854 38.568 1.00 37.26 ? 107 HOH A O 1 HETATM 2527 O O . HOH H 6 . ? 14.137 -9.063 -9.558 1.00 41.74 ? 108 HOH A O 1 HETATM 2528 O O . HOH H 6 . ? 2.643 -26.032 53.543 1.00 36.63 ? 109 HOH A O 1 HETATM 2529 O O . HOH H 6 . ? -2.931 15.052 2.627 1.00 34.03 ? 110 HOH A O 1 HETATM 2530 O O . HOH H 6 . ? -3.126 9.778 12.765 1.00 37.84 ? 111 HOH A O 1 HETATM 2531 O O . HOH H 6 . ? -2.507 -19.401 59.903 1.00 42.57 ? 112 HOH A O 1 HETATM 2532 O O . HOH H 6 . ? 18.443 14.166 6.234 1.00 33.90 ? 113 HOH A O 1 HETATM 2533 O O . HOH H 6 . ? 6.249 0.680 23.838 1.00 44.72 ? 114 HOH A O 1 HETATM 2534 O O . HOH H 6 . ? -1.667 -19.953 40.887 1.00 42.36 ? 115 HOH A O 1 HETATM 2535 O O . HOH H 6 . ? 8.571 -20.233 8.158 1.00 43.19 ? 116 HOH A O 1 HETATM 2536 O O . HOH H 6 . ? -2.616 -10.613 34.260 1.00 37.44 ? 117 HOH A O 1 HETATM 2537 O O . HOH H 6 . ? -3.207 -16.603 13.436 1.00 49.60 ? 118 HOH A O 1 HETATM 2538 O O . HOH H 6 . ? 16.057 2.551 22.508 1.00 31.89 ? 119 HOH A O 1 HETATM 2539 O O . HOH H 6 . ? 25.180 8.488 -5.195 1.00 47.43 ? 120 HOH A O 1 HETATM 2540 O O . HOH H 6 . ? 0.019 -17.297 33.707 1.00 51.16 ? 121 HOH A O 1 HETATM 2541 O O . HOH H 6 . ? -3.260 -0.438 -0.987 1.00 45.03 ? 122 HOH A O 1 HETATM 2542 O O . HOH H 6 . ? 2.695 -2.751 37.720 1.00 43.09 ? 123 HOH A O 1 HETATM 2543 O O . HOH H 6 . ? 23.281 18.714 0.571 1.00 66.62 ? 124 HOH A O 1 HETATM 2544 O O . HOH H 6 . ? 11.497 -8.810 35.770 1.00 49.60 ? 125 HOH A O 1 HETATM 2545 O O . HOH H 6 . ? 25.229 -13.096 9.225 1.00 51.35 ? 126 HOH A O 1 HETATM 2546 O O . HOH H 6 . ? 17.188 2.957 -3.917 1.00 35.29 ? 127 HOH A O 1 HETATM 2547 O O . HOH H 6 . ? 3.286 -4.611 52.286 1.00 40.04 ? 128 HOH A O 1 HETATM 2548 O O . HOH H 6 . ? -3.151 -7.277 57.486 1.00 50.85 ? 129 HOH A O 1 HETATM 2549 O O . HOH H 6 . ? 1.505 -9.248 30.088 1.00 53.94 ? 130 HOH A O 1 HETATM 2550 O O . HOH H 6 . ? 10.261 -11.311 36.928 1.00 50.88 ? 131 HOH A O 1 HETATM 2551 O O . HOH H 6 . ? 11.555 6.761 23.542 1.00 58.43 ? 132 HOH A O 1 HETATM 2552 O O . HOH H 6 . ? -4.331 -13.730 44.043 1.00 46.13 ? 133 HOH A O 1 HETATM 2553 O O . HOH H 6 . ? 18.900 7.541 -11.346 1.00 52.61 ? 134 HOH A O 1 HETATM 2554 O O . HOH H 6 . ? 13.643 18.294 -2.029 1.00 35.26 ? 135 HOH A O 1 HETATM 2555 O O . HOH H 6 . ? -1.068 -0.736 43.164 1.00 52.06 ? 136 HOH A O 1 HETATM 2556 O O . HOH H 6 . ? 2.240 -15.496 6.566 1.00 54.77 ? 137 HOH A O 1 HETATM 2557 O O . HOH H 6 . ? -7.629 -19.556 45.324 1.00 55.95 ? 138 HOH A O 1 HETATM 2558 O O . HOH H 6 . ? 6.002 3.315 -2.961 1.00 42.67 ? 139 HOH A O 1 HETATM 2559 O O . HOH H 6 . ? 30.950 -1.395 -2.554 1.00 46.35 ? 140 HOH A O 1 HETATM 2560 O O . HOH H 6 . ? -7.174 -4.308 56.239 1.00 57.49 ? 141 HOH A O 1 HETATM 2561 O O . HOH H 6 . ? 18.308 -14.366 -2.962 1.00 51.85 ? 142 HOH A O 1 HETATM 2562 O O . HOH H 6 . ? 20.661 -15.117 -0.121 1.00 59.74 ? 143 HOH A O 1 HETATM 2563 O O . HOH H 6 . ? 1.317 -14.519 4.196 1.00 56.16 ? 144 HOH A O 1 HETATM 2564 O O . HOH H 6 . ? -2.681 17.982 1.224 1.00 44.96 ? 145 HOH A O 1 HETATM 2565 O O . HOH H 6 . ? 18.715 16.843 5.612 1.00 36.27 ? 146 HOH A O 1 HETATM 2566 O O . HOH H 6 . ? 22.769 -2.571 13.643 1.00 45.27 ? 147 HOH A O 1 HETATM 2567 O O . HOH H 6 . ? 4.882 -26.962 46.541 1.00 50.17 ? 148 HOH A O 1 HETATM 2568 O O . HOH H 6 . ? 19.077 -10.136 -1.036 1.00 41.69 ? 149 HOH A O 1 HETATM 2569 O O . HOH H 6 . ? 5.662 -20.826 6.843 1.00 61.46 ? 150 HOH A O 1 HETATM 2570 O O . HOH H 6 . ? 13.317 -20.999 6.388 1.00 45.45 ? 151 HOH A O 1 HETATM 2571 O O . HOH H 6 . ? 8.459 -21.326 -2.382 1.00 47.45 ? 152 HOH A O 1 HETATM 2572 O O . HOH H 6 . ? -0.934 2.860 -1.867 1.00 50.87 ? 154 HOH A O 1 HETATM 2573 O O . HOH H 6 . ? 24.871 5.717 -6.887 1.00 62.21 ? 155 HOH A O 1 HETATM 2574 O O . HOH H 6 . ? 16.696 14.766 14.228 1.00 38.60 ? 156 HOH A O 1 HETATM 2575 O O . HOH H 6 . ? 21.556 13.000 12.621 1.00 57.47 ? 157 HOH A O 1 HETATM 2576 O O . HOH H 6 . ? 25.486 -10.883 6.525 1.00 82.54 ? 158 HOH A O 1 HETATM 2577 O O . HOH H 6 . ? -0.175 -16.044 29.824 1.00 41.48 ? 159 HOH A O 1 HETATM 2578 O O . HOH H 6 . ? 0.213 11.451 -7.912 1.00 48.82 ? 160 HOH A O 1 HETATM 2579 O O . HOH H 6 . ? 10.882 15.276 22.963 1.00 67.17 ? 161 HOH A O 1 HETATM 2580 O O . HOH H 6 . ? 3.340 -16.228 17.940 1.00 49.63 ? 162 HOH A O 1 HETATM 2581 O O . HOH H 6 . ? 13.108 -20.341 9.767 1.00 59.81 ? 163 HOH A O 1 HETATM 2582 O O . HOH H 6 . ? -4.595 9.973 18.016 1.00 43.14 ? 164 HOH A O 1 HETATM 2583 O O . HOH H 6 . ? 16.961 9.519 25.343 1.00 55.55 ? 165 HOH A O 1 HETATM 2584 O O . HOH H 6 . ? 0.197 15.454 17.331 1.00 45.66 ? 166 HOH A O 1 HETATM 2585 O O . HOH H 6 . ? 17.108 18.459 1.371 1.00 47.04 ? 167 HOH A O 1 HETATM 2586 O O . HOH H 6 . ? 25.495 2.567 14.573 1.00 44.55 ? 168 HOH A O 1 HETATM 2587 O O . HOH H 6 . ? 2.194 -25.783 46.175 1.00 41.16 ? 169 HOH A O 1 HETATM 2588 O O . HOH H 6 . ? 14.155 14.186 -8.512 1.00 44.89 ? 170 HOH A O 1 HETATM 2589 O O . HOH H 6 . ? 7.045 6.704 -6.628 1.00 52.53 ? 171 HOH A O 1 HETATM 2590 O O . HOH H 6 . ? -4.584 -6.898 40.146 1.00 39.63 ? 172 HOH A O 1 HETATM 2591 O O . HOH H 6 . ? 17.154 18.325 4.010 1.00 48.70 ? 173 HOH A O 1 HETATM 2592 O O . HOH H 6 . ? 19.937 -17.451 13.070 1.00 45.67 ? 174 HOH A O 1 HETATM 2593 O O . HOH H 6 . ? 2.908 15.099 18.221 1.00 34.89 ? 175 HOH A O 1 HETATM 2594 O O . HOH H 6 . ? 18.682 12.933 14.396 1.00 42.91 ? 176 HOH A O 1 HETATM 2595 O O . HOH H 6 . ? 12.164 -19.769 24.296 1.00 50.33 ? 177 HOH A O 1 HETATM 2596 O O . HOH H 6 . ? 6.954 -3.959 -7.161 1.00 46.26 ? 178 HOH A O 1 HETATM 2597 O O . HOH H 6 . ? 10.883 1.619 23.120 1.00 42.33 ? 180 HOH A O 1 HETATM 2598 O O . HOH H 6 . ? 14.179 -12.214 22.262 1.00 36.01 ? 181 HOH A O 1 HETATM 2599 O O . HOH H 6 . ? -3.968 -12.087 22.402 1.00 49.86 ? 182 HOH A O 1 HETATM 2600 O O . HOH H 6 . ? -9.269 -18.125 56.003 1.00 48.86 ? 183 HOH A O 1 HETATM 2601 O O . HOH H 6 . ? 16.724 13.250 -7.563 1.00 50.62 ? 184 HOH A O 1 HETATM 2602 O O . HOH H 6 . ? 6.017 -18.436 15.652 1.00 49.17 ? 185 HOH A O 1 HETATM 2603 O O . HOH H 6 . ? -4.752 -2.562 -0.448 1.00 53.11 ? 186 HOH A O 1 HETATM 2604 O O . HOH H 6 . ? 6.913 -25.218 36.734 1.00 63.58 ? 187 HOH A O 1 HETATM 2605 O O . HOH H 6 . ? 14.594 0.942 -9.298 1.00 61.71 ? 188 HOH A O 1 HETATM 2606 O O . HOH H 6 . ? 24.276 15.909 2.351 1.00 41.57 ? 189 HOH A O 1 HETATM 2607 O O . HOH H 6 . ? -14.509 -5.255 13.840 1.00 63.60 ? 190 HOH A O 1 HETATM 2608 O O . HOH H 6 . ? -6.125 -13.509 46.053 1.00 46.71 ? 191 HOH A O 1 HETATM 2609 O O . HOH H 6 . ? 9.215 -8.175 46.195 1.00 48.60 ? 192 HOH A O 1 HETATM 2610 O O . HOH H 6 . ? 13.935 -11.349 -10.874 1.00 56.06 ? 193 HOH A O 1 HETATM 2611 O O . HOH H 6 . ? 8.415 -19.796 12.890 1.00 47.86 ? 194 HOH A O 1 HETATM 2612 O O . HOH H 6 . ? 6.282 -19.572 19.697 1.00 66.60 ? 195 HOH A O 1 HETATM 2613 O O . HOH H 6 . ? -2.399 -13.482 1.338 1.00 56.93 ? 196 HOH A O 1 HETATM 2614 O O . HOH H 6 . ? -2.250 0.852 -7.393 1.00 53.97 ? 197 HOH A O 1 HETATM 2615 O O . HOH H 6 . ? 6.732 -17.086 25.002 1.00 50.86 ? 198 HOH A O 1 HETATM 2616 O O . HOH H 6 . ? 3.732 18.071 1.275 1.00 56.96 ? 200 HOH A O 1 HETATM 2617 O O . HOH H 6 . ? -3.489 14.655 -5.823 1.00 53.79 ? 201 HOH A O 1 HETATM 2618 O O . HOH H 6 . ? 2.299 13.076 -6.951 1.00 49.49 ? 202 HOH A O 1 HETATM 2619 O O . HOH H 6 . ? 28.099 4.576 2.150 1.00 40.59 ? 203 HOH A O 1 HETATM 2620 O O . HOH H 6 . ? -2.189 11.181 17.160 1.00 43.46 ? 204 HOH A O 1 HETATM 2621 O O . HOH H 6 . ? 1.486 -7.835 26.700 1.00 46.42 ? 205 HOH A O 1 HETATM 2622 O O . HOH H 6 . ? 9.551 -1.045 42.306 1.00 64.26 ? 206 HOH A O 1 HETATM 2623 O O . HOH H 6 . ? 19.502 -12.781 -1.267 1.00 52.98 ? 207 HOH A O 1 HETATM 2624 O O . HOH H 6 . ? 0.161 -0.671 24.999 1.00 49.61 ? 208 HOH A O 1 HETATM 2625 O O . HOH H 6 . ? 3.241 -0.151 -1.425 1.00 61.91 ? 209 HOH A O 1 HETATM 2626 O O . HOH H 6 . ? 7.024 16.298 -5.088 1.00 49.72 ? 210 HOH A O 1 HETATM 2627 O O . HOH H 6 . ? 16.017 1.734 -1.536 1.00 52.25 ? 211 HOH A O 1 HETATM 2628 O O . HOH H 6 . ? 21.450 -15.261 10.732 1.00 52.49 ? 212 HOH A O 1 HETATM 2629 O O . HOH H 6 . ? 20.967 13.057 6.172 1.00 45.92 ? 213 HOH A O 1 HETATM 2630 O O . HOH H 6 . ? 12.381 17.788 10.338 1.00 55.96 ? 214 HOH A O 1 HETATM 2631 O O . HOH H 6 . ? -4.123 -14.717 56.375 1.00 44.33 ? 215 HOH A O 1 HETATM 2632 O O . HOH H 6 . ? 15.479 -10.450 29.525 1.00 55.82 ? 216 HOH A O 1 HETATM 2633 O O . HOH H 6 . ? 18.776 15.505 9.612 1.00 56.20 ? 217 HOH A O 1 HETATM 2634 O O . HOH H 6 . ? -6.655 6.931 1.904 1.00 57.50 ? 218 HOH A O 1 HETATM 2635 O O . HOH H 6 . ? -0.061 3.701 47.238 1.00 57.19 ? 219 HOH A O 1 HETATM 2636 O O . HOH H 6 . ? 6.448 -4.083 40.770 1.00 61.59 ? 220 HOH A O 1 HETATM 2637 O O . HOH H 6 . ? 13.303 -10.715 31.348 1.00 47.53 ? 221 HOH A O 1 HETATM 2638 O O . HOH H 6 . ? 4.672 -24.368 38.588 1.00 68.95 ? 222 HOH A O 1 HETATM 2639 O O . HOH H 6 . ? 22.765 16.561 -6.745 1.00 63.72 ? 223 HOH A O 1 HETATM 2640 O O . HOH H 6 . ? -0.555 -0.592 56.441 1.00 50.13 ? 224 HOH A O 1 HETATM 2641 O O . HOH H 6 . ? -2.640 -0.595 25.747 1.00 50.91 ? 225 HOH A O 1 HETATM 2642 O O . HOH H 6 . ? 23.114 7.551 -10.735 1.00 71.95 ? 226 HOH A O 1 HETATM 2643 O O . HOH H 6 . ? 3.696 16.066 -4.787 1.00 62.67 ? 227 HOH A O 1 HETATM 2644 O O . HOH H 6 . ? 11.580 -15.842 46.777 1.00 52.71 ? 228 HOH A O 1 HETATM 2645 O O . HOH H 6 . ? 24.418 14.689 17.766 1.00 62.41 ? 229 HOH A O 1 HETATM 2646 O O . HOH H 6 . ? 12.728 0.563 25.176 1.00 53.34 ? 230 HOH A O 1 HETATM 2647 O O . HOH H 6 . ? 31.512 -6.444 5.123 1.00 55.80 ? 231 HOH A O 1 HETATM 2648 O O . HOH H 6 . ? 9.168 -16.882 47.710 1.00 41.85 ? 232 HOH A O 1 HETATM 2649 O O . HOH H 6 . ? 11.686 4.439 -7.297 1.00 71.14 ? 233 HOH A O 1 HETATM 2650 O O . HOH H 6 . ? 14.935 -10.733 25.673 1.00 51.47 ? 234 HOH A O 1 HETATM 2651 O O . HOH H 6 . ? 6.988 -23.263 40.689 1.00 52.18 ? 235 HOH A O 1 HETATM 2652 O O . HOH H 6 . ? 23.747 -6.871 -5.544 1.00 53.81 ? 236 HOH A O 1 HETATM 2653 O O . HOH H 6 . ? -3.755 3.788 -2.052 1.00 49.87 ? 237 HOH A O 1 HETATM 2654 O O . HOH H 6 . ? -2.418 12.125 -7.323 1.00 65.38 ? 238 HOH A O 1 HETATM 2655 O O . HOH H 6 . ? 18.209 -12.128 25.810 1.00 70.92 ? 239 HOH A O 1 HETATM 2656 O O . HOH H 6 . ? 8.454 -19.261 50.390 1.00 70.44 ? 240 HOH A O 1 HETATM 2657 O O . HOH H 6 . ? -12.732 -2.152 2.992 1.00 38.80 ? 241 HOH A O 1 HETATM 2658 O O . HOH H 6 . ? 25.454 8.147 -8.063 1.00 64.79 ? 242 HOH A O 1 HETATM 2659 O O . HOH H 6 . ? 8.815 15.144 -9.939 1.00 52.27 ? 243 HOH A O 1 HETATM 2660 O O . HOH H 6 . ? 0.450 -18.086 11.553 1.00 49.08 ? 244 HOH A O 1 HETATM 2661 O O . HOH H 6 . ? -7.069 0.914 -1.737 1.00 43.49 ? 245 HOH A O 1 HETATM 2662 O O . HOH H 6 . ? -6.415 3.663 46.632 1.00 49.39 ? 246 HOH A O 1 HETATM 2663 O O . HOH H 6 . ? 13.572 -9.834 34.249 1.00 54.01 ? 248 HOH A O 1 HETATM 2664 O O . HOH H 6 . ? 25.314 13.105 22.038 1.00 61.28 ? 249 HOH A O 1 HETATM 2665 O O . HOH H 6 . ? -8.232 2.424 18.312 1.00 47.75 ? 250 HOH A O 1 HETATM 2666 O O . HOH H 6 . ? -9.550 4.591 17.103 1.00 58.04 ? 251 HOH A O 1 HETATM 2667 O O . HOH H 6 . ? 0.473 -0.180 48.048 1.00 60.07 ? 252 HOH A O 1 HETATM 2668 O O . HOH H 6 . ? 2.259 -16.537 9.128 1.00 56.59 ? 253 HOH A O 1 HETATM 2669 O O . HOH H 6 . ? 23.531 20.198 -6.279 1.00 69.41 ? 254 HOH A O 1 HETATM 2670 O O . HOH H 6 . ? 4.805 5.330 -5.699 1.00 56.35 ? 255 HOH A O 1 HETATM 2671 O O . HOH H 6 . ? 16.673 9.038 -11.435 1.00 66.20 ? 256 HOH A O 1 HETATM 2672 O O . HOH H 6 . ? -5.137 -6.617 3.817 1.00 62.16 ? 257 HOH A O 1 HETATM 2673 O O . HOH H 6 . ? 11.379 -18.427 31.876 1.00 57.23 ? 258 HOH A O 1 HETATM 2674 O O . HOH H 6 . ? 3.576 -0.499 51.559 1.00 61.78 ? 259 HOH A O 1 HETATM 2675 O O . HOH H 6 . ? -1.234 -12.503 24.003 1.00 53.28 ? 260 HOH A O 1 HETATM 2676 O O . HOH H 6 . ? -5.762 6.154 26.136 1.00 60.60 ? 261 HOH A O 1 HETATM 2677 O O . HOH H 6 . ? 10.721 16.500 15.456 1.00 47.48 ? 262 HOH A O 1 HETATM 2678 O O . HOH H 6 . ? -0.911 -15.077 2.933 1.00 54.74 ? 263 HOH A O 1 HETATM 2679 O O . HOH H 6 . ? -0.465 -11.071 26.281 1.00 64.01 ? 264 HOH A O 1 HETATM 2680 O O . HOH H 6 . ? 8.020 -17.411 34.534 1.00 51.14 ? 265 HOH A O 1 HETATM 2681 O O . HOH H 6 . ? 26.152 -7.654 -1.706 1.00 53.86 ? 266 HOH A O 1 HETATM 2682 O O . HOH H 6 . ? 25.549 -7.624 11.720 1.00 60.29 ? 267 HOH A O 1 HETATM 2683 O O . HOH H 6 . ? 13.334 13.461 19.052 1.00 57.93 ? 268 HOH A O 1 HETATM 2684 O O . HOH H 6 . ? -7.186 -1.928 0.698 1.00 51.39 ? 269 HOH A O 1 HETATM 2685 O O . HOH H 6 . ? -3.067 -15.818 4.361 1.00 60.12 ? 270 HOH A O 1 HETATM 2686 O O . HOH H 6 . ? -5.158 -18.032 38.030 1.00 51.18 ? 271 HOH A O 1 HETATM 2687 O O . HOH H 6 . ? 2.829 -20.630 6.645 1.00 67.45 ? 272 HOH A O 1 HETATM 2688 O O . HOH H 6 . ? -2.872 -2.738 -2.394 1.00 58.42 ? 273 HOH A O 1 HETATM 2689 O O . HOH H 6 . ? 5.592 3.866 -7.997 1.00 57.71 ? 274 HOH A O 1 HETATM 2690 O O . HOH H 6 . ? -15.211 -8.451 14.607 1.00 50.87 ? 275 HOH A O 1 HETATM 2691 O O . HOH H 6 . ? 7.631 -19.516 23.941 1.00 53.07 ? 276 HOH A O 1 HETATM 2692 O O . HOH H 6 . ? 3.837 17.430 -2.366 1.00 58.18 ? 277 HOH A O 1 HETATM 2693 O O . HOH H 6 . ? 14.523 -1.428 26.313 1.00 67.86 ? 278 HOH A O 1 HETATM 2694 O O . HOH H 6 . ? 0.574 -21.273 5.342 1.00 62.93 ? 279 HOH A O 1 HETATM 2695 O O . HOH H 6 . ? 22.593 -4.751 19.339 1.00 52.88 ? 280 HOH A O 1 HETATM 2696 O O . HOH H 6 . ? 20.386 15.997 23.943 1.00 58.81 ? 281 HOH A O 1 HETATM 2697 O O . HOH H 6 . ? 20.204 -17.612 10.202 1.00 69.19 ? 282 HOH A O 1 HETATM 2698 O O . HOH H 6 . ? -6.625 -19.100 42.286 1.00 53.71 ? 283 HOH A O 1 HETATM 2699 O O . HOH H 6 . ? 30.754 3.872 2.040 1.00 52.39 ? 284 HOH A O 1 HETATM 2700 O O . HOH H 6 . ? -5.507 -14.205 58.729 1.00 74.81 ? 285 HOH A O 1 HETATM 2701 O O . HOH H 6 . ? -8.380 -16.739 42.633 1.00 62.40 ? 286 HOH A O 1 HETATM 2702 O O . HOH H 6 . ? 31.152 4.593 -0.903 1.00 65.40 ? 287 HOH A O 1 HETATM 2703 O O . HOH H 6 . ? -2.174 -18.573 4.382 1.00 69.28 ? 288 HOH A O 1 HETATM 2704 O O . HOH H 6 . ? 23.684 -9.671 4.237 1.00 52.06 ? 289 HOH A O 1 HETATM 2705 O O . HOH H 6 . ? 4.765 -17.701 22.258 1.00 56.48 ? 290 HOH A O 1 HETATM 2706 O O . HOH H 6 . ? 31.671 8.879 8.646 1.00 62.43 ? 291 HOH A O 1 HETATM 2707 O O . HOH H 6 . ? -8.857 -14.818 52.648 1.00 56.26 ? 292 HOH A O 1 HETATM 2708 O O . HOH H 6 . ? 28.523 -4.475 19.356 1.00 64.16 ? 293 HOH A O 1 HETATM 2709 O O . HOH H 6 . ? 18.695 -18.382 8.018 1.00 61.91 ? 294 HOH A O 1 HETATM 2710 O O . HOH H 6 . ? -1.346 -8.684 27.476 1.00 63.40 ? 295 HOH A O 1 HETATM 2711 O O . HOH H 6 . ? 27.416 -6.866 20.166 1.00 60.93 ? 296 HOH A O 1 HETATM 2712 O O . HOH H 6 . ? 28.658 6.459 0.315 1.00 57.10 ? 297 HOH A O 1 HETATM 2713 O O . HOH H 6 . ? 19.837 -20.959 2.512 1.00 61.07 ? 298 HOH A O 1 HETATM 2714 O O . HOH H 6 . ? 23.820 -14.169 0.254 1.00 57.84 ? 299 HOH A O 1 HETATM 2715 O O . HOH H 6 . ? -3.503 -15.380 33.544 1.00 55.44 ? 300 HOH A O 1 HETATM 2716 O O . HOH H 6 . ? 6.351 -6.796 42.622 1.00 64.26 ? 301 HOH A O 1 HETATM 2717 O O . HOH H 6 . ? 27.906 12.466 10.243 1.00 57.90 ? 302 HOH A O 1 HETATM 2718 O O . HOH H 6 . ? 6.429 17.806 19.151 1.00 58.44 ? 303 HOH A O 1 HETATM 2719 O O . HOH H 6 . ? -5.773 -15.766 13.924 1.00 63.24 ? 304 HOH A O 1 HETATM 2720 O O . HOH H 6 . ? 12.368 -19.791 13.225 1.00 57.94 ? 305 HOH A O 1 HETATM 2721 O O . HOH H 6 . ? 27.590 15.870 2.395 1.00 63.46 ? 306 HOH A O 1 HETATM 2722 O O . HOH H 6 . ? 22.930 -11.472 -1.954 1.00 58.08 ? 307 HOH A O 1 HETATM 2723 O O . HOH H 6 . ? 3.131 -17.796 11.293 1.00 61.13 ? 309 HOH A O 1 HETATM 2724 O O . HOH H 6 . ? 17.293 -1.625 -3.722 1.00 71.48 ? 310 HOH A O 1 HETATM 2725 O O . HOH H 6 . ? -8.420 -7.278 23.291 1.00 62.43 ? 311 HOH A O 1 HETATM 2726 O O . HOH H 6 . ? 18.783 15.374 26.163 1.00 65.10 ? 312 HOH A O 1 HETATM 2727 O O . HOH H 6 . ? 1.823 -17.608 19.890 1.00 63.31 ? 313 HOH A O 1 HETATM 2728 O O . HOH H 6 . ? 4.747 -29.037 44.492 1.00 60.78 ? 314 HOH A O 1 HETATM 2729 O O . HOH H 6 . ? 10.634 19.539 9.134 1.00 61.53 ? 315 HOH A O 1 HETATM 2730 O O . HOH H 6 . ? 17.761 -18.969 13.629 1.00 67.03 ? 316 HOH A O 1 HETATM 2731 O O . HOH H 6 . ? 6.155 -22.757 54.503 1.00 63.97 ? 317 HOH A O 1 HETATM 2732 O O . HOH H 6 . ? 6.660 -21.050 10.345 1.00 62.56 ? 318 HOH A O 1 HETATM 2733 O O . HOH H 6 . ? -4.265 2.179 45.804 1.00 56.53 ? 319 HOH A O 1 HETATM 2734 O O . HOH H 6 . ? 17.580 21.034 5.305 1.00 62.71 ? 320 HOH A O 1 HETATM 2735 O O . HOH H 6 . ? 21.355 16.940 5.051 1.00 59.84 ? 321 HOH A O 1 HETATM 2736 O O . HOH H 6 . ? 22.225 0.939 -12.921 1.00 66.52 ? 322 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 ASP 1 341 ? ? ? A . n A 1 2 LEU 2 342 342 LEU LEU A . n A 1 3 ASP 3 343 343 ASP ASP A . n A 1 4 CYS 4 344 344 CYS CYS A . n A 1 5 GLY 5 345 345 GLY GLY A . n A 1 6 ILE 6 346 346 ILE ILE A . n A 1 7 PRO 7 347 347 PRO PRO A . n A 1 8 GLU 8 348 348 GLU GLU A . n A 1 9 SER 9 349 349 SER SER A . n A 1 10 ILE 10 350 350 ILE ILE A . n A 1 11 GLU 11 351 351 GLU GLU A . n A 1 12 ASN 12 352 352 ASN ASN A . n A 1 13 GLY 13 353 353 GLY GLY A . n A 1 14 LYS 14 354 354 LYS LYS A . n A 1 15 VAL 15 355 355 VAL VAL A . n A 1 16 GLU 16 356 356 GLU GLU A . n A 1 17 ASP 17 357 357 ASP ASP A . n A 1 18 PRO 18 358 358 PRO PRO A . n A 1 19 GLU 19 359 359 GLU GLU A . n A 1 20 SER 20 360 360 SER SER A . n A 1 21 THR 21 361 361 THR THR A . n A 1 22 LEU 22 362 362 LEU LEU A . n A 1 23 PHE 23 363 363 PHE PHE A . n A 1 24 GLY 24 364 364 GLY GLY A . n A 1 25 SER 25 365 365 SER SER A . n A 1 26 VAL 26 366 366 VAL VAL A . n A 1 27 ILE 27 367 367 ILE ILE A . n A 1 28 ARG 28 368 368 ARG ARG A . n A 1 29 TYR 29 369 369 TYR TYR A . n A 1 30 THR 30 370 370 THR THR A . n A 1 31 CYS 31 371 371 CYS CYS A . n A 1 32 GLU 32 372 372 GLU GLU A . n A 1 33 GLU 33 373 373 GLU GLU A . n A 1 34 PRO 34 374 374 PRO PRO A . n A 1 35 TYR 35 375 375 TYR TYR A . n A 1 36 TYR 36 376 376 TYR TYR A . n A 1 37 TYR 37 377 377 TYR TYR A . n A 1 38 MET 38 378 378 MET MET A . n A 1 39 GLU 39 379 379 GLU GLU A . n A 1 40 ASN 40 380 ? ? ? A . n A 1 41 GLY 41 381 ? ? ? A . n A 1 42 GLY 42 382 382 GLY GLY A . n A 1 43 GLY 43 383 383 GLY GLY A . n A 1 44 GLY 44 384 384 GLY GLY A . n A 1 45 GLU 45 385 385 GLU GLU A . n A 1 46 TYR 46 386 386 TYR TYR A . n A 1 47 HIS 47 387 387 HIS HIS A . n A 1 48 CYS 48 388 388 CYS CYS A . n A 1 49 ALA 49 389 389 ALA ALA A . n A 1 50 GLY 50 390 390 GLY GLY A . n A 1 51 ASN 51 391 391 ASN ASN A . n A 1 52 GLY 52 392 392 GLY GLY A . n A 1 53 SER 53 393 393 SER SER A . n A 1 54 TRP 54 394 394 TRP TRP A . n A 1 55 VAL 55 395 395 VAL VAL A . n A 1 56 ASN 56 396 396 ASN ASN A . n A 1 57 GLU 57 397 397 GLU GLU A . n A 1 58 VAL 58 398 398 VAL VAL A . n A 1 59 LEU 59 399 399 LEU LEU A . n A 1 60 GLY 60 400 400 GLY GLY A . n A 1 61 PRO 61 401 401 PRO PRO A . n A 1 62 GLU 62 402 402 GLU GLU A . n A 1 63 LEU 63 403 403 LEU LEU A . n A 1 64 PRO 64 404 404 PRO PRO A . n A 1 65 LYS 65 405 405 LYS LYS A . n A 1 66 CYS 66 406 406 CYS CYS A . n A 1 67 VAL 67 407 407 VAL VAL A . n A 1 68 PRO 68 408 408 PRO PRO A . n A 1 69 VAL 69 409 409 VAL VAL A . n A 1 70 CYS 70 410 410 CYS CYS A . n A 1 71 GLY 71 411 411 GLY GLY A . n A 1 72 VAL 72 412 412 VAL VAL A . n A 1 73 PRO 73 413 413 PRO PRO A . n A 1 74 ARG 74 414 414 ARG ARG A . n A 1 75 GLU 75 415 415 GLU GLU A . n A 1 76 PRO 76 416 416 PRO PRO A . n A 1 77 PHE 77 417 417 PHE PHE A . n A 1 78 GLU 78 418 ? ? ? A . n A 1 79 GLU 79 419 ? ? ? A . n A 1 80 LYS 80 420 ? ? ? A . n A 1 81 GLN 81 421 ? ? ? A . n A 1 82 ARG 82 422 ? ? ? A . n A 1 83 ILE 83 423 423 ILE ILE A . n A 1 84 ILE 84 424 424 ILE ILE A . n A 1 85 GLY 85 425 425 GLY GLY A . n A 1 86 GLY 86 426 426 GLY GLY A . n A 1 87 SER 87 427 427 SER SER A . n A 1 88 ASP 88 428 428 ASP ASP A . n A 1 89 ALA 89 429 429 ALA ALA A . n A 1 90 ASP 90 430 430 ASP ASP A . n A 1 91 ILE 91 431 431 ILE ILE A . n A 1 92 LYS 92 432 432 LYS LYS A . n A 1 93 ASN 93 433 433 ASN ASN A . n A 1 94 PHE 94 434 434 PHE PHE A . n A 1 95 PRO 95 435 435 PRO PRO A . n A 1 96 TRP 96 436 436 TRP TRP A . n A 1 97 GLN 97 437 437 GLN GLN A . n A 1 98 VAL 98 438 438 VAL VAL A . n A 1 99 PHE 99 439 439 PHE PHE A . n A 1 100 PHE 100 440 440 PHE PHE A . n A 1 101 ASP 101 441 441 ASP ASP A . n A 1 102 ASN 102 442 442 ASN ASN A . n A 1 103 PRO 103 443 443 PRO PRO A . n A 1 104 TRP 104 444 444 TRP TRP A . n A 1 105 ALA 105 445 445 ALA ALA A . n A 1 106 GLY 106 446 446 GLY GLY A . n A 1 107 GLY 107 447 447 GLY GLY A . n A 1 108 ALA 108 448 448 ALA ALA A . n A 1 109 LEU 109 449 449 LEU LEU A . n A 1 110 ILE 110 450 450 ILE ILE A . n A 1 111 ASN 111 451 451 ASN ASN A . n A 1 112 GLU 112 452 452 GLU GLU A . n A 1 113 TYR 113 453 453 TYR TYR A . n A 1 114 TRP 114 454 454 TRP TRP A . n A 1 115 VAL 115 455 455 VAL VAL A . n A 1 116 LEU 116 456 456 LEU LEU A . n A 1 117 THR 117 457 457 THR THR A . n A 1 118 ALA 118 458 458 ALA ALA A . n A 1 119 ALA 119 459 459 ALA ALA A . n A 1 120 HIS 120 460 460 HIS HIS A . n A 1 121 VAL 121 461 461 VAL VAL A . n A 1 122 VAL 122 462 462 VAL VAL A . n A 1 123 GLU 123 463 463 GLU GLU A . n A 1 124 GLY 124 464 464 GLY GLY A . n A 1 125 ASN 125 465 465 ASN ASN A . n A 1 126 ARG 126 466 466 ARG ARG A . n A 1 127 GLU 127 467 467 GLU GLU A . n A 1 128 PRO 128 468 468 PRO PRO A . n A 1 129 THR 129 469 469 THR THR A . n A 1 130 MET 130 470 470 MET MET A . n A 1 131 TYR 131 471 471 TYR TYR A . n A 1 132 VAL 132 472 472 VAL VAL A . n A 1 133 GLY 133 473 473 GLY GLY A . n A 1 134 SER 134 474 474 SER SER A . n A 1 135 THR 135 475 475 THR THR A . n A 1 136 SER 136 476 476 SER SER A . n A 1 137 VAL 137 477 477 VAL VAL A . n A 1 138 GLN 138 478 478 GLN GLN A . n A 1 139 THR 139 479 ? ? ? A . n A 1 140 SER 140 480 ? ? ? A . n A 1 141 ARG 141 481 ? ? ? A . n A 1 142 LEU 142 482 ? ? ? A . n A 1 143 ALA 143 483 ? ? ? A . n A 1 144 LYS 144 484 ? ? ? A . n A 1 145 SER 145 485 ? ? ? A . n A 1 146 LYS 146 486 486 LYS LYS A . n A 1 147 MET 147 487 487 MET MET A . n A 1 148 LEU 148 488 488 LEU LEU A . n A 1 149 THR 149 489 489 THR THR A . n A 1 150 PRO 150 490 490 PRO PRO A . n A 1 151 GLU 151 491 491 GLU GLU A . n A 1 152 HIS 152 492 492 HIS HIS A . n A 1 153 VAL 153 493 493 VAL VAL A . n A 1 154 PHE 154 494 494 PHE PHE A . n A 1 155 ILE 155 495 495 ILE ILE A . n A 1 156 HIS 156 496 496 HIS HIS A . n A 1 157 PRO 157 497 497 PRO PRO A . n A 1 158 GLY 158 498 498 GLY GLY A . n A 1 159 TRP 159 499 499 TRP TRP A . n A 1 160 LYS 160 500 500 LYS LYS A . n A 1 161 LEU 161 501 501 LEU LEU A . n A 1 162 LEU 162 502 502 LEU LEU A . n A 1 163 ALA 163 503 503 ALA ALA A . n A 1 164 VAL 164 504 504 VAL VAL A . n A 1 165 PRO 165 505 505 PRO PRO A . n A 1 166 GLU 166 506 506 GLU GLU A . n A 1 167 GLY 167 507 507 GLY GLY A . n A 1 168 ARG 168 508 508 ARG ARG A . n A 1 169 THR 169 509 509 THR THR A . n A 1 170 ASN 170 510 510 ASN ASN A . n A 1 171 PHE 171 511 511 PHE PHE A . n A 1 172 ASP 172 512 512 ASP ASP A . n A 1 173 ASN 173 513 513 ASN ASN A . n A 1 174 ASP 174 514 514 ASP ASP A . n A 1 175 ILE 175 515 515 ILE ILE A . n A 1 176 ALA 176 516 516 ALA ALA A . n A 1 177 LEU 177 517 517 LEU LEU A . n A 1 178 VAL 178 518 518 VAL VAL A . n A 1 179 ARG 179 519 519 ARG ARG A . n A 1 180 LEU 180 520 520 LEU LEU A . n A 1 181 LYS 181 521 521 LYS LYS A . n A 1 182 ASP 182 522 522 ASP ASP A . n A 1 183 PRO 183 523 523 PRO PRO A . n A 1 184 VAL 184 524 524 VAL VAL A . n A 1 185 LYS 185 525 525 LYS LYS A . n A 1 186 MET 186 526 526 MET MET A . n A 1 187 GLY 187 527 527 GLY GLY A . n A 1 188 PRO 188 528 528 PRO PRO A . n A 1 189 THR 189 529 529 THR THR A . n A 1 190 VAL 190 530 530 VAL VAL A . n A 1 191 SER 191 531 531 SER SER A . n A 1 192 PRO 192 532 532 PRO PRO A . n A 1 193 ILE 193 533 533 ILE ILE A . n A 1 194 CYS 194 534 534 CYS CYS A . n A 1 195 LEU 195 535 535 LEU LEU A . n A 1 196 PRO 196 536 536 PRO PRO A . n A 1 197 GLY 197 537 537 GLY GLY A . n A 1 198 THR 198 538 538 THR THR A . n A 1 199 SER 199 539 539 SER SER A . n A 1 200 SER 200 540 540 SER SER A . n A 1 201 ASP 201 541 541 ASP ASP A . n A 1 202 TYR 202 542 542 TYR TYR A . n A 1 203 ASN 203 543 543 ASN ASN A . n A 1 204 LEU 204 544 544 LEU LEU A . n A 1 205 MET 205 545 545 MET MET A . n A 1 206 ASP 206 546 546 ASP ASP A . n A 1 207 GLY 207 547 547 GLY GLY A . n A 1 208 ASP 208 548 548 ASP ASP A . n A 1 209 LEU 209 549 549 LEU LEU A . n A 1 210 GLY 210 550 550 GLY GLY A . n A 1 211 LEU 211 551 551 LEU LEU A . n A 1 212 ILE 212 552 552 ILE ILE A . n A 1 213 SER 213 553 553 SER SER A . n A 1 214 GLY 214 554 554 GLY GLY A . n A 1 215 TRP 215 555 555 TRP TRP A . n A 1 216 GLY 216 556 556 GLY GLY A . n A 1 217 ARG 217 557 557 ARG ARG A . n A 1 218 THR 218 558 558 THR THR A . n A 1 219 GLU 219 559 559 GLU GLU A . n A 1 220 LYS 220 560 560 LYS LYS A . n A 1 221 ARG 221 561 561 ARG ARG A . n A 1 222 ASP 222 562 562 ASP ASP A . n A 1 223 ARG 223 563 563 ARG ARG A . n A 1 224 ALA 224 564 564 ALA ALA A . n A 1 225 VAL 225 565 565 VAL VAL A . n A 1 226 ARG 226 566 566 ARG ARG A . n A 1 227 LEU 227 567 567 LEU LEU A . n A 1 228 LYS 228 568 568 LYS LYS A . n A 1 229 ALA 229 569 569 ALA ALA A . n A 1 230 ALA 230 570 570 ALA ALA A . n A 1 231 ARG 231 571 571 ARG ARG A . n A 1 232 LEU 232 572 572 LEU LEU A . n A 1 233 PRO 233 573 573 PRO PRO A . n A 1 234 VAL 234 574 574 VAL VAL A . n A 1 235 ALA 235 575 575 ALA ALA A . n A 1 236 PRO 236 576 576 PRO PRO A . n A 1 237 LEU 237 577 577 LEU LEU A . n A 1 238 ARG 238 578 578 ARG ARG A . n A 1 239 LYS 239 579 579 LYS LYS A . n A 1 240 CYS 240 580 580 CYS CYS A . n A 1 241 LYS 241 581 581 LYS LYS A . n A 1 242 GLU 242 582 582 GLU GLU A . n A 1 243 VAL 243 583 583 VAL VAL A . n A 1 244 LYS 244 584 ? ? ? A . n A 1 245 VAL 245 585 ? ? ? A . n A 1 246 GLU 246 586 ? ? ? A . n A 1 247 LYS 247 587 ? ? ? A . n A 1 248 PRO 248 588 ? ? ? A . n A 1 249 THR 249 589 ? ? ? A . n A 1 250 ALA 250 590 ? ? ? A . n A 1 251 ASP 251 591 ? ? ? A . n A 1 252 ALA 252 592 ? ? ? A . n A 1 253 GLU 253 593 ? ? ? A . n A 1 254 ALA 254 594 594 ALA ALA A . n A 1 255 TYR 255 595 595 TYR TYR A . n A 1 256 VAL 256 596 596 VAL VAL A . n A 1 257 PHE 257 597 597 PHE PHE A . n A 1 258 THR 258 598 598 THR THR A . n A 1 259 PRO 259 599 599 PRO PRO A . n A 1 260 ASN 260 600 600 ASN ASN A . n A 1 261 MET 261 601 601 MET MET A . n A 1 262 ILE 262 602 602 ILE ILE A . n A 1 263 CYS 263 603 603 CYS CYS A . n A 1 264 ALA 264 604 604 ALA ALA A . n A 1 265 GLY 265 605 605 GLY GLY A . n A 1 266 GLY 266 606 606 GLY GLY A . n A 1 267 GLU 267 607 607 GLU GLU A . n A 1 268 LYS 268 608 608 LYS LYS A . n A 1 269 GLY 269 609 609 GLY GLY A . n A 1 270 MET 270 610 610 MET MET A . n A 1 271 ASP 271 611 611 ASP ASP A . n A 1 272 SER 272 612 612 SER SER A . n A 1 273 CYS 273 613 613 CYS CYS A . n A 1 274 LYS 274 614 614 LYS LYS A . n A 1 275 GLY 275 615 615 GLY GLY A . n A 1 276 ASP 276 616 616 ASP ASP A . n A 1 277 SER 277 617 617 SER SER A . n A 1 278 GLY 278 618 618 GLY GLY A . n A 1 279 GLY 279 619 619 GLY GLY A . n A 1 280 ALA 280 620 620 ALA ALA A . n A 1 281 PHE 281 621 621 PHE PHE A . n A 1 282 ALA 282 622 622 ALA ALA A . n A 1 283 VAL 283 623 623 VAL VAL A . n A 1 284 GLN 284 624 624 GLN GLN A . n A 1 285 ASP 285 625 625 ASP ASP A . n A 1 286 PRO 286 626 626 PRO PRO A . n A 1 287 ASN 287 627 627 ASN ASN A . n A 1 288 ASP 288 628 628 ASP ASP A . n A 1 289 LYS 289 629 629 LYS LYS A . n A 1 290 THR 290 630 630 THR THR A . n A 1 291 LYS 291 631 631 LYS LYS A . n A 1 292 PHE 292 632 632 PHE PHE A . n A 1 293 TYR 293 633 633 TYR TYR A . n A 1 294 ALA 294 634 634 ALA ALA A . n A 1 295 ALA 295 635 635 ALA ALA A . n A 1 296 GLY 296 636 636 GLY GLY A . n A 1 297 LEU 297 637 637 LEU LEU A . n A 1 298 VAL 298 638 638 VAL VAL A . n A 1 299 SER 299 639 639 SER SER A . n A 1 300 TRP 300 640 640 TRP TRP A . n A 1 301 GLY 301 641 641 GLY GLY A . n A 1 302 PRO 302 642 642 PRO PRO A . n A 1 303 GLN 303 643 643 GLN GLN A . n A 1 304 CYS 304 644 644 CYS CYS A . n A 1 305 GLY 305 645 645 GLY GLY A . n A 1 306 THR 306 646 646 THR THR A . n A 1 307 TYR 307 647 647 TYR TYR A . n A 1 308 GLY 308 648 648 GLY GLY A . n A 1 309 LEU 309 649 649 LEU LEU A . n A 1 310 TYR 310 650 650 TYR TYR A . n A 1 311 THR 311 651 651 THR THR A . n A 1 312 ARG 312 652 652 ARG ARG A . n A 1 313 VAL 313 653 653 VAL VAL A . n A 1 314 LYS 314 654 654 LYS LYS A . n A 1 315 ASN 315 655 655 ASN ASN A . n A 1 316 TYR 316 656 656 TYR TYR A . n A 1 317 VAL 317 657 657 VAL VAL A . n A 1 318 ASP 318 658 658 ASP ASP A . n A 1 319 TRP 319 659 659 TRP TRP A . n A 1 320 ILE 320 660 660 ILE ILE A . n A 1 321 MET 321 661 661 MET MET A . n A 1 322 LYS 322 662 662 LYS LYS A . n A 1 323 THR 323 663 663 THR THR A . n A 1 324 MET 324 664 664 MET MET A . n A 1 325 GLN 325 665 665 GLN GLN A . n A 1 326 GLU 326 666 666 GLU GLU A . n A 1 327 ASN 327 667 667 ASN ASN A . n A 1 328 SER 328 668 668 SER SER A . n A 1 329 THR 329 669 ? ? ? A . n A 1 330 PRO 330 670 ? ? ? A . n A 1 331 ARG 331 671 ? ? ? A . n A 1 332 GLU 332 672 ? ? ? A . n A 1 333 ASP 333 673 ? ? ? A . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 NAG 1 1001 1001 NAG NAG A . C 2 NAG 2 1002 1002 NAG NAG A . D 3 FUC 3 1003 1003 FUC FUC A . E 4 SO4 1 2001 2001 SO4 SO4 A . F 4 SO4 1 2002 2002 SO4 SO4 A . G 5 NES 1 2003 2003 NES NES A . H 6 HOH 1 1 1 HOH HOH A . H 6 HOH 2 2 2 HOH HOH A . H 6 HOH 3 3 3 HOH HOH A . H 6 HOH 4 4 4 HOH HOH A . H 6 HOH 5 5 5 HOH HOH A . H 6 HOH 6 6 6 HOH HOH A . H 6 HOH 7 7 7 HOH HOH A . H 6 HOH 8 8 8 HOH HOH A . H 6 HOH 9 9 9 HOH HOH A . H 6 HOH 10 10 10 HOH HOH A . H 6 HOH 11 11 11 HOH HOH A . H 6 HOH 12 12 12 HOH HOH A . H 6 HOH 13 13 13 HOH HOH A . H 6 HOH 14 14 14 HOH HOH A . H 6 HOH 15 15 15 HOH HOH A . H 6 HOH 16 16 16 HOH HOH A . H 6 HOH 17 17 17 HOH HOH A . H 6 HOH 18 18 18 HOH HOH A . H 6 HOH 19 19 19 HOH HOH A . H 6 HOH 20 20 20 HOH HOH A . H 6 HOH 21 21 21 HOH HOH A . H 6 HOH 22 22 22 HOH HOH A . H 6 HOH 23 23 23 HOH HOH A . H 6 HOH 24 24 24 HOH HOH A . H 6 HOH 25 25 25 HOH HOH A . H 6 HOH 26 26 26 HOH HOH A . H 6 HOH 27 27 27 HOH HOH A . H 6 HOH 28 28 28 HOH HOH A . H 6 HOH 29 29 29 HOH HOH A . H 6 HOH 30 30 30 HOH HOH A . H 6 HOH 31 31 31 HOH HOH A . H 6 HOH 32 32 32 HOH HOH A . H 6 HOH 33 33 33 HOH HOH A . H 6 HOH 34 34 34 HOH HOH A . H 6 HOH 35 35 35 HOH HOH A . H 6 HOH 36 36 36 HOH HOH A . H 6 HOH 37 37 37 HOH HOH A . H 6 HOH 38 38 38 HOH HOH A . H 6 HOH 39 39 39 HOH HOH A . H 6 HOH 40 40 40 HOH HOH A . H 6 HOH 41 41 41 HOH HOH A . H 6 HOH 42 42 42 HOH HOH A . H 6 HOH 43 43 43 HOH HOH A . H 6 HOH 44 44 44 HOH HOH A . H 6 HOH 45 45 45 HOH HOH A . H 6 HOH 46 46 46 HOH HOH A . H 6 HOH 47 47 47 HOH HOH A . H 6 HOH 48 48 48 HOH HOH A . H 6 HOH 49 49 49 HOH HOH A . H 6 HOH 50 50 50 HOH HOH A . H 6 HOH 51 51 51 HOH HOH A . H 6 HOH 52 52 52 HOH HOH A . H 6 HOH 53 53 53 HOH HOH A . H 6 HOH 54 54 54 HOH HOH A . H 6 HOH 55 55 55 HOH HOH A . H 6 HOH 56 56 56 HOH HOH A . H 6 HOH 57 57 57 HOH HOH A . H 6 HOH 58 58 58 HOH HOH A . H 6 HOH 59 59 59 HOH HOH A . H 6 HOH 60 60 60 HOH HOH A . H 6 HOH 61 61 61 HOH HOH A . H 6 HOH 62 62 62 HOH HOH A . H 6 HOH 63 63 63 HOH HOH A . H 6 HOH 64 64 64 HOH HOH A . H 6 HOH 65 65 65 HOH HOH A . H 6 HOH 66 66 66 HOH HOH A . H 6 HOH 67 67 67 HOH HOH A . H 6 HOH 68 68 68 HOH HOH A . H 6 HOH 69 69 69 HOH HOH A . H 6 HOH 70 70 70 HOH HOH A . H 6 HOH 71 71 71 HOH HOH A . H 6 HOH 72 72 72 HOH HOH A . H 6 HOH 73 73 73 HOH HOH A . H 6 HOH 74 74 74 HOH HOH A . H 6 HOH 75 75 75 HOH HOH A . H 6 HOH 76 76 76 HOH HOH A . H 6 HOH 77 77 77 HOH HOH A . H 6 HOH 78 78 78 HOH HOH A . H 6 HOH 79 79 79 HOH HOH A . H 6 HOH 80 80 80 HOH HOH A . H 6 HOH 81 81 81 HOH HOH A . H 6 HOH 82 82 82 HOH HOH A . H 6 HOH 83 83 83 HOH HOH A . H 6 HOH 84 84 84 HOH HOH A . H 6 HOH 85 85 85 HOH HOH A . H 6 HOH 86 86 86 HOH HOH A . H 6 HOH 87 87 87 HOH HOH A . H 6 HOH 88 88 88 HOH HOH A . H 6 HOH 89 89 89 HOH HOH A . H 6 HOH 90 90 90 HOH HOH A . H 6 HOH 91 91 91 HOH HOH A . H 6 HOH 92 92 92 HOH HOH A . H 6 HOH 93 93 93 HOH HOH A . H 6 HOH 94 94 94 HOH HOH A . H 6 HOH 95 95 95 HOH HOH A . H 6 HOH 96 96 96 HOH HOH A . H 6 HOH 97 97 97 HOH HOH A . H 6 HOH 98 98 98 HOH HOH A . H 6 HOH 99 99 99 HOH HOH A . H 6 HOH 100 100 100 HOH HOH A . H 6 HOH 101 101 101 HOH HOH A . H 6 HOH 102 102 102 HOH HOH A . H 6 HOH 103 103 103 HOH HOH A . H 6 HOH 104 104 104 HOH HOH A . H 6 HOH 105 105 105 HOH HOH A . H 6 HOH 106 106 106 HOH HOH A . H 6 HOH 107 107 107 HOH HOH A . H 6 HOH 108 108 108 HOH HOH A . H 6 HOH 109 109 109 HOH HOH A . H 6 HOH 110 110 110 HOH HOH A . H 6 HOH 111 111 111 HOH HOH A . H 6 HOH 112 112 112 HOH HOH A . H 6 HOH 113 113 113 HOH HOH A . H 6 HOH 114 114 114 HOH HOH A . H 6 HOH 115 115 115 HOH HOH A . H 6 HOH 116 116 116 HOH HOH A . H 6 HOH 117 117 117 HOH HOH A . H 6 HOH 118 118 118 HOH HOH A . H 6 HOH 119 119 119 HOH HOH A . H 6 HOH 120 120 120 HOH HOH A . H 6 HOH 121 121 121 HOH HOH A . H 6 HOH 122 122 122 HOH HOH A . H 6 HOH 123 123 123 HOH HOH A . H 6 HOH 124 124 124 HOH HOH A . H 6 HOH 125 125 125 HOH HOH A . H 6 HOH 126 126 126 HOH HOH A . H 6 HOH 127 127 127 HOH HOH A . H 6 HOH 128 128 128 HOH HOH A . H 6 HOH 129 129 129 HOH HOH A . H 6 HOH 130 130 130 HOH HOH A . H 6 HOH 131 131 131 HOH HOH A . H 6 HOH 132 132 132 HOH HOH A . H 6 HOH 133 133 133 HOH HOH A . H 6 HOH 134 134 134 HOH HOH A . H 6 HOH 135 135 135 HOH HOH A . H 6 HOH 136 136 136 HOH HOH A . H 6 HOH 137 137 137 HOH HOH A . H 6 HOH 138 138 138 HOH HOH A . H 6 HOH 139 139 139 HOH HOH A . H 6 HOH 140 140 140 HOH HOH A . H 6 HOH 141 141 141 HOH HOH A . H 6 HOH 142 142 142 HOH HOH A . H 6 HOH 143 143 143 HOH HOH A . H 6 HOH 144 144 144 HOH HOH A . H 6 HOH 145 145 145 HOH HOH A . H 6 HOH 146 146 146 HOH HOH A . H 6 HOH 147 147 147 HOH HOH A . H 6 HOH 148 148 148 HOH HOH A . H 6 HOH 149 149 149 HOH HOH A . H 6 HOH 150 150 150 HOH HOH A . H 6 HOH 151 151 151 HOH HOH A . H 6 HOH 152 152 152 HOH HOH A . H 6 HOH 153 154 154 HOH HOH A . H 6 HOH 154 155 155 HOH HOH A . H 6 HOH 155 156 156 HOH HOH A . H 6 HOH 156 157 157 HOH HOH A . H 6 HOH 157 158 158 HOH HOH A . H 6 HOH 158 159 159 HOH HOH A . H 6 HOH 159 160 160 HOH HOH A . H 6 HOH 160 161 161 HOH HOH A . H 6 HOH 161 162 162 HOH HOH A . H 6 HOH 162 163 163 HOH HOH A . H 6 HOH 163 164 164 HOH HOH A . H 6 HOH 164 165 165 HOH HOH A . H 6 HOH 165 166 166 HOH HOH A . H 6 HOH 166 167 167 HOH HOH A . H 6 HOH 167 168 168 HOH HOH A . H 6 HOH 168 169 169 HOH HOH A . H 6 HOH 169 170 170 HOH HOH A . H 6 HOH 170 171 171 HOH HOH A . H 6 HOH 171 172 172 HOH HOH A . H 6 HOH 172 173 173 HOH HOH A . H 6 HOH 173 174 174 HOH HOH A . H 6 HOH 174 175 175 HOH HOH A . H 6 HOH 175 176 176 HOH HOH A . H 6 HOH 176 177 177 HOH HOH A . H 6 HOH 177 178 178 HOH HOH A . H 6 HOH 178 180 180 HOH HOH A . H 6 HOH 179 181 181 HOH HOH A . H 6 HOH 180 182 182 HOH HOH A . H 6 HOH 181 183 183 HOH HOH A . H 6 HOH 182 184 184 HOH HOH A . H 6 HOH 183 185 185 HOH HOH A . H 6 HOH 184 186 186 HOH HOH A . H 6 HOH 185 187 187 HOH HOH A . H 6 HOH 186 188 188 HOH HOH A . H 6 HOH 187 189 189 HOH HOH A . H 6 HOH 188 190 190 HOH HOH A . H 6 HOH 189 191 191 HOH HOH A . H 6 HOH 190 192 192 HOH HOH A . H 6 HOH 191 193 193 HOH HOH A . H 6 HOH 192 194 194 HOH HOH A . H 6 HOH 193 195 195 HOH HOH A . H 6 HOH 194 196 196 HOH HOH A . H 6 HOH 195 197 197 HOH HOH A . H 6 HOH 196 198 198 HOH HOH A . H 6 HOH 197 200 200 HOH HOH A . H 6 HOH 198 201 201 HOH HOH A . H 6 HOH 199 202 202 HOH HOH A . H 6 HOH 200 203 203 HOH HOH A . H 6 HOH 201 204 204 HOH HOH A . H 6 HOH 202 205 205 HOH HOH A . H 6 HOH 203 206 206 HOH HOH A . H 6 HOH 204 207 207 HOH HOH A . H 6 HOH 205 208 208 HOH HOH A . H 6 HOH 206 209 209 HOH HOH A . H 6 HOH 207 210 210 HOH HOH A . H 6 HOH 208 211 211 HOH HOH A . H 6 HOH 209 212 212 HOH HOH A . H 6 HOH 210 213 213 HOH HOH A . H 6 HOH 211 214 214 HOH HOH A . H 6 HOH 212 215 215 HOH HOH A . H 6 HOH 213 216 216 HOH HOH A . H 6 HOH 214 217 217 HOH HOH A . H 6 HOH 215 218 218 HOH HOH A . H 6 HOH 216 219 219 HOH HOH A . H 6 HOH 217 220 220 HOH HOH A . H 6 HOH 218 221 221 HOH HOH A . H 6 HOH 219 222 222 HOH HOH A . H 6 HOH 220 223 223 HOH HOH A . H 6 HOH 221 224 224 HOH HOH A . H 6 HOH 222 225 225 HOH HOH A . H 6 HOH 223 226 226 HOH HOH A . H 6 HOH 224 227 227 HOH HOH A . H 6 HOH 225 228 228 HOH HOH A . H 6 HOH 226 229 229 HOH HOH A . H 6 HOH 227 230 230 HOH HOH A . H 6 HOH 228 231 231 HOH HOH A . H 6 HOH 229 232 232 HOH HOH A . H 6 HOH 230 233 233 HOH HOH A . H 6 HOH 231 234 234 HOH HOH A . H 6 HOH 232 235 235 HOH HOH A . H 6 HOH 233 236 236 HOH HOH A . H 6 HOH 234 237 237 HOH HOH A . H 6 HOH 235 238 238 HOH HOH A . H 6 HOH 236 239 239 HOH HOH A . H 6 HOH 237 240 240 HOH HOH A . H 6 HOH 238 241 241 HOH HOH A . H 6 HOH 239 242 242 HOH HOH A . H 6 HOH 240 243 243 HOH HOH A . H 6 HOH 241 244 244 HOH HOH A . H 6 HOH 242 245 245 HOH HOH A . H 6 HOH 243 246 246 HOH HOH A . H 6 HOH 244 248 248 HOH HOH A . H 6 HOH 245 249 249 HOH HOH A . H 6 HOH 246 250 250 HOH HOH A . H 6 HOH 247 251 251 HOH HOH A . H 6 HOH 248 252 252 HOH HOH A . H 6 HOH 249 253 253 HOH HOH A . H 6 HOH 250 254 254 HOH HOH A . H 6 HOH 251 255 255 HOH HOH A . H 6 HOH 252 256 256 HOH HOH A . H 6 HOH 253 257 257 HOH HOH A . H 6 HOH 254 258 258 HOH HOH A . H 6 HOH 255 259 259 HOH HOH A . H 6 HOH 256 260 260 HOH HOH A . H 6 HOH 257 261 261 HOH HOH A . H 6 HOH 258 262 262 HOH HOH A . H 6 HOH 259 263 263 HOH HOH A . H 6 HOH 260 264 264 HOH HOH A . H 6 HOH 261 265 265 HOH HOH A . H 6 HOH 262 266 266 HOH HOH A . H 6 HOH 263 267 267 HOH HOH A . H 6 HOH 264 268 268 HOH HOH A . H 6 HOH 265 269 269 HOH HOH A . H 6 HOH 266 270 270 HOH HOH A . H 6 HOH 267 271 271 HOH HOH A . H 6 HOH 268 272 272 HOH HOH A . H 6 HOH 269 273 273 HOH HOH A . H 6 HOH 270 274 274 HOH HOH A . H 6 HOH 271 275 275 HOH HOH A . H 6 HOH 272 276 276 HOH HOH A . H 6 HOH 273 277 277 HOH HOH A . H 6 HOH 274 278 278 HOH HOH A . H 6 HOH 275 279 279 HOH HOH A . H 6 HOH 276 280 280 HOH HOH A . H 6 HOH 277 281 281 HOH HOH A . H 6 HOH 278 282 282 HOH HOH A . H 6 HOH 279 283 283 HOH HOH A . H 6 HOH 280 284 284 HOH HOH A . H 6 HOH 281 285 285 HOH HOH A . H 6 HOH 282 286 286 HOH HOH A . H 6 HOH 283 287 287 HOH HOH A . H 6 HOH 284 288 288 HOH HOH A . H 6 HOH 285 289 289 HOH HOH A . H 6 HOH 286 290 290 HOH HOH A . H 6 HOH 287 291 291 HOH HOH A . H 6 HOH 288 292 292 HOH HOH A . H 6 HOH 289 293 293 HOH HOH A . H 6 HOH 290 294 294 HOH HOH A . H 6 HOH 291 295 295 HOH HOH A . H 6 HOH 292 296 296 HOH HOH A . H 6 HOH 293 297 297 HOH HOH A . H 6 HOH 294 298 298 HOH HOH A . H 6 HOH 295 299 299 HOH HOH A . H 6 HOH 296 300 300 HOH HOH A . H 6 HOH 297 301 301 HOH HOH A . H 6 HOH 298 302 302 HOH HOH A . H 6 HOH 299 303 303 HOH HOH A . H 6 HOH 300 304 304 HOH HOH A . H 6 HOH 301 305 305 HOH HOH A . H 6 HOH 302 306 306 HOH HOH A . H 6 HOH 303 307 307 HOH HOH A . H 6 HOH 304 309 309 HOH HOH A . H 6 HOH 305 310 310 HOH HOH A . H 6 HOH 306 311 311 HOH HOH A . H 6 HOH 307 312 312 HOH HOH A . H 6 HOH 308 313 313 HOH HOH A . H 6 HOH 309 314 314 HOH HOH A . H 6 HOH 310 315 315 HOH HOH A . H 6 HOH 311 316 316 HOH HOH A . H 6 HOH 312 317 317 HOH HOH A . H 6 HOH 313 318 318 HOH HOH A . H 6 HOH 314 319 319 HOH HOH A . H 6 HOH 315 320 320 HOH HOH A . H 6 HOH 316 321 321 HOH HOH A . H 6 HOH 317 322 322 HOH HOH A . # _pdbx_struct_mod_residue.id 1 _pdbx_struct_mod_residue.label_asym_id A _pdbx_struct_mod_residue.label_comp_id ASN _pdbx_struct_mod_residue.label_seq_id 51 _pdbx_struct_mod_residue.auth_asym_id A _pdbx_struct_mod_residue.auth_comp_id ASN _pdbx_struct_mod_residue.auth_seq_id 391 _pdbx_struct_mod_residue.PDB_ins_code ? _pdbx_struct_mod_residue.parent_comp_id ASN _pdbx_struct_mod_residue.details '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 # _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_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 2001-03-14 2 'Structure model' 1 1 2008-04-27 3 'Structure model' 1 2 2011-07-13 4 'Structure model' 1 3 2017-10-04 5 'Structure model' 1 4 2018-02-14 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Version format compliance' 2 3 'Structure model' 'Non-polymer description' 3 3 'Structure model' 'Version format compliance' 4 4 'Structure model' Advisory 5 4 'Structure model' 'Refinement description' 6 5 'Structure model' 'Experimental preparation' # loop_ _pdbx_audit_revision_category.ordinal _pdbx_audit_revision_category.revision_ordinal _pdbx_audit_revision_category.data_content_type _pdbx_audit_revision_category.category 1 4 'Structure model' pdbx_unobs_or_zero_occ_atoms 2 4 'Structure model' software 3 5 'Structure model' exptl_crystal_grow # loop_ _pdbx_audit_revision_item.ordinal _pdbx_audit_revision_item.revision_ordinal _pdbx_audit_revision_item.data_content_type _pdbx_audit_revision_item.item 1 5 'Structure model' '_exptl_crystal_grow.pdbx_details' 2 5 'Structure model' '_exptl_crystal_grow.temp' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal _software.date _software.type _software.location _software.language XDS 'data scaling' . ? 1 ? ? ? ? XDS 'data reduction' . ? 2 ? ? ? ? WARP 'model building' . ? 3 ? ? ? ? REFMAC refinement . ? 4 ? ? ? ? # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 OE1 A GLU 385 ? ? O A HOH 192 ? ? 1.61 2 1 OE2 A GLU 506 ? ? O A HOH 197 ? ? 1.76 3 1 O6 A NAG 1001 ? ? O5 A FUC 1003 ? ? 2.10 4 1 O A LEU 577 ? ? SG A CYS 580 ? B 2.19 # loop_ _pdbx_validate_rmsd_bond.id _pdbx_validate_rmsd_bond.PDB_model_num _pdbx_validate_rmsd_bond.auth_atom_id_1 _pdbx_validate_rmsd_bond.auth_asym_id_1 _pdbx_validate_rmsd_bond.auth_comp_id_1 _pdbx_validate_rmsd_bond.auth_seq_id_1 _pdbx_validate_rmsd_bond.PDB_ins_code_1 _pdbx_validate_rmsd_bond.label_alt_id_1 _pdbx_validate_rmsd_bond.auth_atom_id_2 _pdbx_validate_rmsd_bond.auth_asym_id_2 _pdbx_validate_rmsd_bond.auth_comp_id_2 _pdbx_validate_rmsd_bond.auth_seq_id_2 _pdbx_validate_rmsd_bond.PDB_ins_code_2 _pdbx_validate_rmsd_bond.label_alt_id_2 _pdbx_validate_rmsd_bond.bond_value _pdbx_validate_rmsd_bond.bond_target_value _pdbx_validate_rmsd_bond.bond_deviation _pdbx_validate_rmsd_bond.bond_standard_deviation _pdbx_validate_rmsd_bond.linker_flag 1 1 CG A GLU 351 ? ? CD A GLU 351 ? ? 1.624 1.515 0.109 0.015 N 2 1 CD A GLU 359 ? ? OE2 A GLU 359 ? ? 1.364 1.252 0.112 0.011 N 3 1 CG A GLU 397 ? ? CD A GLU 397 ? ? 1.616 1.515 0.101 0.015 N # 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 OE1 A GLU 467 ? ? CD A GLU 467 ? ? OE2 A GLU 467 ? ? 134.13 123.30 10.83 1.20 N 2 1 CD A LYS 521 ? ? CE A LYS 521 ? ? NZ A LYS 521 ? ? 97.49 111.70 -14.21 2.30 N 3 1 NE A ARG 566 ? ? CZ A ARG 566 ? ? NH1 A ARG 566 ? ? 123.52 120.30 3.22 0.50 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 ASN A 451 ? ? -177.19 -178.57 2 1 THR A 646 ? ? -118.98 -104.32 # loop_ _pdbx_validate_planes.id _pdbx_validate_planes.PDB_model_num _pdbx_validate_planes.auth_comp_id _pdbx_validate_planes.auth_asym_id _pdbx_validate_planes.auth_seq_id _pdbx_validate_planes.PDB_ins_code _pdbx_validate_planes.label_alt_id _pdbx_validate_planes.rmsd _pdbx_validate_planes.type 1 1 GLU A 359 ? ? 0.072 'SIDE CHAIN' 2 1 GLU A 415 ? ? 0.142 'SIDE CHAIN' # loop_ _pdbx_unobs_or_zero_occ_atoms.id _pdbx_unobs_or_zero_occ_atoms.PDB_model_num _pdbx_unobs_or_zero_occ_atoms.polymer_flag _pdbx_unobs_or_zero_occ_atoms.occupancy_flag _pdbx_unobs_or_zero_occ_atoms.auth_asym_id _pdbx_unobs_or_zero_occ_atoms.auth_comp_id _pdbx_unobs_or_zero_occ_atoms.auth_seq_id _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code _pdbx_unobs_or_zero_occ_atoms.auth_atom_id _pdbx_unobs_or_zero_occ_atoms.label_alt_id _pdbx_unobs_or_zero_occ_atoms.label_asym_id _pdbx_unobs_or_zero_occ_atoms.label_comp_id _pdbx_unobs_or_zero_occ_atoms.label_seq_id _pdbx_unobs_or_zero_occ_atoms.label_atom_id 1 1 Y 1 A LEU 342 ? CG ? A LEU 2 CG 2 1 Y 1 A LEU 342 ? CD1 ? A LEU 2 CD1 3 1 Y 1 A LEU 342 ? CD2 ? A LEU 2 CD2 # 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 ASP 341 ? A ASP 1 2 1 Y 1 A ASN 380 ? A ASN 40 3 1 Y 1 A GLY 381 ? A GLY 41 4 1 Y 1 A GLU 418 ? A GLU 78 5 1 Y 1 A GLU 419 ? A GLU 79 6 1 Y 1 A LYS 420 ? A LYS 80 7 1 Y 1 A GLN 421 ? A GLN 81 8 1 Y 1 A ARG 422 ? A ARG 82 9 1 Y 1 A THR 479 ? A THR 139 10 1 Y 1 A SER 480 ? A SER 140 11 1 Y 1 A ARG 481 ? A ARG 141 12 1 Y 1 A LEU 482 ? A LEU 142 13 1 Y 1 A ALA 483 ? A ALA 143 14 1 Y 1 A LYS 484 ? A LYS 144 15 1 Y 1 A SER 485 ? A SER 145 16 1 Y 1 A LYS 584 ? A LYS 244 17 1 Y 1 A VAL 585 ? A VAL 245 18 1 Y 1 A GLU 586 ? A GLU 246 19 1 Y 1 A LYS 587 ? A LYS 247 20 1 Y 1 A PRO 588 ? A PRO 248 21 1 Y 1 A THR 589 ? A THR 249 22 1 Y 1 A ALA 590 ? A ALA 250 23 1 Y 1 A ASP 591 ? A ASP 251 24 1 Y 1 A ALA 592 ? A ALA 252 25 1 Y 1 A GLU 593 ? A GLU 253 26 1 Y 1 A THR 669 ? A THR 329 27 1 Y 1 A PRO 670 ? A PRO 330 28 1 Y 1 A ARG 671 ? A ARG 331 29 1 Y 1 A GLU 672 ? A GLU 332 30 1 Y 1 A ASP 673 ? A ASP 333 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 ALPHA-L-FUCOSE FUC 4 'SULFATE ION' SO4 5 '2-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-ETHANESULFONIC ACID' NES 6 water HOH #