data_1APT # _entry.id 1APT # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.279 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 1APT WWPDB D_1000171108 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 1APU . unspecified PDB 1APV . unspecified PDB 1APW . unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 1APT _pdbx_database_status.recvd_initial_deposition_date 1991-12-16 _pdbx_database_status.deposit_site ? _pdbx_database_status.process_site ? _pdbx_database_status.SG_entry . _pdbx_database_status.status_code_sf ? _pdbx_database_status.status_code_mr ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Sielecki, A.R.' 1 'James, M.N.G.' 2 # loop_ _citation.id _citation.title _citation.journal_abbrev _citation.journal_volume _citation.page_first _citation.page_last _citation.year _citation.journal_id_ASTM _citation.country _citation.journal_id_ISSN _citation.journal_id_CSD _citation.book_publisher _citation.pdbx_database_id_PubMed _citation.pdbx_database_id_DOI primary 'Crystallographic Analysis of a Pepstatin Analogue Binding to the Aspartyl Proteinase Penicillopepsin at 1.8 Angstroms Resolution' 'Peptides: Structure and Function, Proceedings of the of the Eighth American Peptide Symposium' 1 521 ? 1983 ? ? 0-935940-02-2 817 'Pierce Chemical Company,Rockford,Il' -1 ? 1 ;Crystallographic Analysis of Transition State Mimics Bound to Penicillopepsin: Difluorostatine-and Difluorostatone-Containing Peptides ; Biochemistry 31 3872 ? 1992 BICHAW US 0006-2960 0033 ? ? ? 2 'Aspartic Proteinases and Their Catalytic Pathway' 'Biological Macromolecules and Assemblies' 3 414 ? 1987 ? US 0-471-85142-6 0879 'John Wiley and Sons,New York' ? ? 3 'Stereochemical Analysis of Peptide Bond Hydrolysis Catalyzed by the Aspartic Proteinase Penicillopepsin' Biochemistry 24 3701 ? 1985 BICHAW US 0006-2960 0033 ? ? ? 4 'X-Ray Diffraction Studies on Penicillopepsin and its Complexes: The Hydrolytic Mechanism' 'Aspartic Proteinases and Their Inhibitors' ? 163 ? 1985 ? ? 0899250785 0785 'Walter De Gruyter & Co.,Berlin and New York' ? ? 5 ;Effect of Ph on the Activities of Penicillopepsin and Rhizopus Pepsin and a Proposal for the Productive Substrate Binding Mode in Penicillopepsin ; Biochemistry 23 635 ? 1984 BICHAW US 0006-2960 0033 ? ? ? 6 'Structure and Refinement of Penicillopepsin at 1.8 Angstroms Resolution' J.Mol.Biol. 163 299 ? 1983 JMOBAK UK 0022-2836 0070 ? ? ? 7 'Conformational Flexibility in the Active Sites of Aspartyl Proteinases Revealed by a Pepstatin Fragment Binding to Penicillopepsin' Proc.Natl.Acad.Sci.USA 79 6137 ? 1982 PNASA6 US 0027-8424 0040 ? ? ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'James, M.N.G.' 1 primary 'Sielecki, A.R.' 2 primary 'Moult, J.' 3 1 'James, M.N.G.' 4 1 'Sielecki, A.R.' 5 1 'Hayakawa, K.' 6 1 'Gelb, M.H.' 7 2 'James, M.N.G.' 8 2 'Sielecki, A.R.' 9 3 'James, M.N.G.' 10 3 'Sielecki, A.R.' 11 4 'James, M.N.G.' 12 4 'Sielecki, A.R.' 13 4 'Hofmann, T.' 14 5 'Hofmann, T.' 15 5 'Hodges, R.S.' 16 5 'James, M.N.G.' 17 6 'James, M.N.G.' 18 6 'Sielecki, A.R.' 19 7 'James, M.N.G.' 20 7 'Sielecki, A.' 21 7 'Salituro, F.' 22 7 'Rich, D.H.' 23 7 'Hofmann, T.' 24 # loop_ _citation_editor.citation_id _citation_editor.name _citation_editor.ordinal primary 'Hruby, V.J.' 1 primary 'Rich, D.H.' 2 2 'Jurnak, F.A.' 3 2 'McPherson, A.' 4 4 'Kostka, V.' 5 # _cell.entry_id 1APT _cell.length_a 97.570 _cell.length_b 46.470 _cell.length_c 66.390 _cell.angle_alpha 90.00 _cell.angle_beta 116.15 _cell.angle_gamma 90.00 _cell.Z_PDB 4 _cell.pdbx_unique_axis ? _cell.length_a_esd ? _cell.length_b_esd ? _cell.length_c_esd ? _cell.angle_alpha_esd ? _cell.angle_beta_esd ? _cell.angle_gamma_esd ? # _symmetry.entry_id 1APT _symmetry.space_group_name_H-M 'C 1 2 1' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 5 _symmetry.space_group_name_Hall ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man PENICILLOPEPSIN 33468.809 1 3.4.23.20 ? ? ? 2 polymer man 'INHIBITOR ISOVALERYL (IVA)-VAL-VAL-LYSTA-O-ET (LYSTA IS A LYSYL SIDE CHAIN ANALOGUE OF STATIN' 500.671 1 ? ? ? 'TRANSITION STATE MIMIC INHIBITOR' 3 non-polymer man ALPHA-D-MANNOSE 180.156 1 ? ? ? ? 4 water nat water 18.015 247 ? ? ? ? # loop_ _entity_poly.entity_id _entity_poly.type _entity_poly.nstd_linkage _entity_poly.nstd_monomer _entity_poly.pdbx_seq_one_letter_code _entity_poly.pdbx_seq_one_letter_code_can _entity_poly.pdbx_strand_id _entity_poly.pdbx_target_identifier 1 'polypeptide(L)' no no ;AASGVATNTPTANDEEYITPVTIGGTTLNLNFDTGSADLWVFSTELPASQQSGHSVYNPSATGKELSGYTWSISYGDGSS ASGNVFTDSVTVGGVTAHGQAVQAAQQISAQFQQDTNNDGLLGLAFSSINTVQPQSQTTFFDTVKSSLAQPLFAVALKHQ QPGVYDFGFIDSSKYTGSLTYTGVDNSQGFWSFNVDSYTAGSQSGDGFSGIADTGTTLLLLDDSVVSQYYSQVSGAQQDS NAGGYVFDCSTNLPDFSVSISGYTATVPGSLINYGPSGDGSTCLGGIQSNSGIGFSIFGDIFLKSQYVVFDSDGPQLGFA PQA ; ;AASGVATNTPTANDEEYITPVTIGGTTLNLNFDTGSADLWVFSTELPASQQSGHSVYNPSATGKELSGYTWSISYGDGSS ASGNVFTDSVTVGGVTAHGQAVQAAQQISAQFQQDTNNDGLLGLAFSSINTVQPQSQTTFFDTVKSSLAQPLFAVALKHQ QPGVYDFGFIDSSKYTGSLTYTGVDNSQGFWSFNVDSYTAGSQSGDGFSGIADTGTTLLLLDDSVVSQYYSQVSGAQQDS NAGGYVFDCSTNLPDFSVSISGYTATVPGSLINYGPSGDGSTCLGGIQSNSGIGFSIFGDIFLKSQYVVFDSDGPQLGFA PQA ; E ? 2 'polypeptide(L)' no yes '(IVA)VV(LTA)' XVVX I ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 ALA n 1 2 ALA n 1 3 SER n 1 4 GLY n 1 5 VAL n 1 6 ALA n 1 7 THR n 1 8 ASN n 1 9 THR n 1 10 PRO n 1 11 THR n 1 12 ALA n 1 13 ASN n 1 14 ASP n 1 15 GLU n 1 16 GLU n 1 17 TYR n 1 18 ILE n 1 19 THR n 1 20 PRO n 1 21 VAL n 1 22 THR n 1 23 ILE n 1 24 GLY n 1 25 GLY n 1 26 THR n 1 27 THR n 1 28 LEU n 1 29 ASN n 1 30 LEU n 1 31 ASN n 1 32 PHE n 1 33 ASP n 1 34 THR n 1 35 GLY n 1 36 SER n 1 37 ALA n 1 38 ASP n 1 39 LEU n 1 40 TRP n 1 41 VAL n 1 42 PHE n 1 43 SER n 1 44 THR n 1 45 GLU n 1 46 LEU n 1 47 PRO n 1 48 ALA n 1 49 SER n 1 50 GLN n 1 51 GLN n 1 52 SER n 1 53 GLY n 1 54 HIS n 1 55 SER n 1 56 VAL n 1 57 TYR n 1 58 ASN n 1 59 PRO n 1 60 SER n 1 61 ALA n 1 62 THR n 1 63 GLY n 1 64 LYS n 1 65 GLU n 1 66 LEU n 1 67 SER n 1 68 GLY n 1 69 TYR n 1 70 THR n 1 71 TRP n 1 72 SER n 1 73 ILE n 1 74 SER n 1 75 TYR n 1 76 GLY n 1 77 ASP n 1 78 GLY n 1 79 SER n 1 80 SER n 1 81 ALA n 1 82 SER n 1 83 GLY n 1 84 ASN n 1 85 VAL n 1 86 PHE n 1 87 THR n 1 88 ASP n 1 89 SER n 1 90 VAL n 1 91 THR n 1 92 VAL n 1 93 GLY n 1 94 GLY n 1 95 VAL n 1 96 THR n 1 97 ALA n 1 98 HIS n 1 99 GLY n 1 100 GLN n 1 101 ALA n 1 102 VAL n 1 103 GLN n 1 104 ALA n 1 105 ALA n 1 106 GLN n 1 107 GLN n 1 108 ILE n 1 109 SER n 1 110 ALA n 1 111 GLN n 1 112 PHE n 1 113 GLN n 1 114 GLN n 1 115 ASP n 1 116 THR n 1 117 ASN n 1 118 ASN n 1 119 ASP n 1 120 GLY n 1 121 LEU n 1 122 LEU n 1 123 GLY n 1 124 LEU n 1 125 ALA n 1 126 PHE n 1 127 SER n 1 128 SER n 1 129 ILE n 1 130 ASN n 1 131 THR n 1 132 VAL n 1 133 GLN n 1 134 PRO n 1 135 GLN n 1 136 SER n 1 137 GLN n 1 138 THR n 1 139 THR n 1 140 PHE n 1 141 PHE n 1 142 ASP n 1 143 THR n 1 144 VAL n 1 145 LYS n 1 146 SER n 1 147 SER n 1 148 LEU n 1 149 ALA n 1 150 GLN n 1 151 PRO n 1 152 LEU n 1 153 PHE n 1 154 ALA n 1 155 VAL n 1 156 ALA n 1 157 LEU n 1 158 LYS n 1 159 HIS n 1 160 GLN n 1 161 GLN n 1 162 PRO n 1 163 GLY n 1 164 VAL n 1 165 TYR n 1 166 ASP n 1 167 PHE n 1 168 GLY n 1 169 PHE n 1 170 ILE n 1 171 ASP n 1 172 SER n 1 173 SER n 1 174 LYS n 1 175 TYR n 1 176 THR n 1 177 GLY n 1 178 SER n 1 179 LEU n 1 180 THR n 1 181 TYR n 1 182 THR n 1 183 GLY n 1 184 VAL n 1 185 ASP n 1 186 ASN n 1 187 SER n 1 188 GLN n 1 189 GLY n 1 190 PHE n 1 191 TRP n 1 192 SER n 1 193 PHE n 1 194 ASN n 1 195 VAL n 1 196 ASP n 1 197 SER n 1 198 TYR n 1 199 THR n 1 200 ALA n 1 201 GLY n 1 202 SER n 1 203 GLN n 1 204 SER n 1 205 GLY n 1 206 ASP n 1 207 GLY n 1 208 PHE n 1 209 SER n 1 210 GLY n 1 211 ILE n 1 212 ALA n 1 213 ASP n 1 214 THR n 1 215 GLY n 1 216 THR n 1 217 THR n 1 218 LEU n 1 219 LEU n 1 220 LEU n 1 221 LEU n 1 222 ASP n 1 223 ASP n 1 224 SER n 1 225 VAL n 1 226 VAL n 1 227 SER n 1 228 GLN n 1 229 TYR n 1 230 TYR n 1 231 SER n 1 232 GLN n 1 233 VAL n 1 234 SER n 1 235 GLY n 1 236 ALA n 1 237 GLN n 1 238 GLN n 1 239 ASP n 1 240 SER n 1 241 ASN n 1 242 ALA n 1 243 GLY n 1 244 GLY n 1 245 TYR n 1 246 VAL n 1 247 PHE n 1 248 ASP n 1 249 CYS n 1 250 SER n 1 251 THR n 1 252 ASN n 1 253 LEU n 1 254 PRO n 1 255 ASP n 1 256 PHE n 1 257 SER n 1 258 VAL n 1 259 SER n 1 260 ILE n 1 261 SER n 1 262 GLY n 1 263 TYR n 1 264 THR n 1 265 ALA n 1 266 THR n 1 267 VAL n 1 268 PRO n 1 269 GLY n 1 270 SER n 1 271 LEU n 1 272 ILE n 1 273 ASN n 1 274 TYR n 1 275 GLY n 1 276 PRO n 1 277 SER n 1 278 GLY n 1 279 ASP n 1 280 GLY n 1 281 SER n 1 282 THR n 1 283 CYS n 1 284 LEU n 1 285 GLY n 1 286 GLY n 1 287 ILE n 1 288 GLN n 1 289 SER n 1 290 ASN n 1 291 SER n 1 292 GLY n 1 293 ILE n 1 294 GLY n 1 295 PHE n 1 296 SER n 1 297 ILE n 1 298 PHE n 1 299 GLY n 1 300 ASP n 1 301 ILE n 1 302 PHE n 1 303 LEU n 1 304 LYS n 1 305 SER n 1 306 GLN n 1 307 TYR n 1 308 VAL n 1 309 VAL n 1 310 PHE n 1 311 ASP n 1 312 SER n 1 313 ASP n 1 314 GLY n 1 315 PRO n 1 316 GLN n 1 317 LEU n 1 318 GLY n 1 319 PHE n 1 320 ALA n 1 321 PRO n 1 322 GLN n 1 323 ALA n 2 1 IVA n 2 2 VAL n 2 3 VAL n 2 4 LTA 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 'Penicillium vitale' _entity_src_gen.gene_src_genus ? _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 'Penicillium janthinellum' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 5079 _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 ? _entity_src_gen.pdbx_host_org_scientific_name ? _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id ? _entity_src_gen.host_org_genus ? _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 ? _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 ? _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name ? _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # loop_ _struct_ref.id _struct_ref.db_name _struct_ref.db_code _struct_ref.entity_id _struct_ref.pdbx_db_accession _struct_ref.pdbx_align_begin _struct_ref.pdbx_seq_one_letter_code _struct_ref.pdbx_db_isoform 1 UNP PENP_PENJA 1 P00798 1 ;AASGVATNTPTANDEEYITPVTIGGTTLNLNFDTGSADLWVFSTELPASQQSGHSVYNPSATGKELSGYTWSISYGDGSS ASGNVFTDSVTVGGVTAHGQAVQAAQQISAQFQQDTNNDGLLGLAFSSINTVQPQSQTTFFDTVKSSLAQPLFAVALKHQ QPGVYDFGFIDSSKYTGSLTYTGVDNSQGFWSFNVDSYTAGSQSGDGFSGIADTGTTLLLLDDSVVSQYYSQVSGAQQDS NAGGYVFDCSTNLPDFSVSISGYTATVPGSLINYGPSGDGSTCLGGIQSNSGIGFSIFGDIFLKSQYVVFDSDGPQLGFA PQA ; ? 2 PDB 1APT 2 1APT ? ? ? # loop_ _struct_ref_seq.align_id _struct_ref_seq.ref_id _struct_ref_seq.pdbx_PDB_id_code _struct_ref_seq.pdbx_strand_id _struct_ref_seq.seq_align_beg _struct_ref_seq.pdbx_seq_align_beg_ins_code _struct_ref_seq.seq_align_end _struct_ref_seq.pdbx_seq_align_end_ins_code _struct_ref_seq.pdbx_db_accession _struct_ref_seq.db_align_beg _struct_ref_seq.pdbx_db_align_beg_ins_code _struct_ref_seq.db_align_end _struct_ref_seq.pdbx_db_align_end_ins_code _struct_ref_seq.pdbx_auth_seq_align_beg _struct_ref_seq.pdbx_auth_seq_align_end 1 1 1APT E 1 ? 323 ? P00798 1 ? 323 ? 1 323 2 2 1APT I 1 ? 4 ? 1APT 4 ? 1 ? 4 1 # 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 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 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 IVA non-polymer . 'ISOVALERIC ACID' ? 'C5 H10 O2' 102.132 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LTA 'L-peptide linking' . '4,8-DIAMINO-3-HYDROXY-OCTANOIC ACID ETHYL ESTER' 'STATINE ANALOGUE' 'C10 H22 N2 O3' 218.293 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MAN D-saccharide . ALPHA-D-MANNOSE ? 'C6 H12 O6' 180.156 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 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 1APT _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number ? # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 1.99 _exptl_crystal.density_percent_sol 38.12 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _diffrn.id 1 _diffrn.ambient_temp ? _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l ? _diffrn_radiation.monochromator ? _diffrn_radiation.pdbx_diffrn_protocol ? _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength . _diffrn_radiation_wavelength.wt 1.0 # _refine.entry_id 1APT _refine.ls_number_reflns_obs 22494 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I 1.0 _refine.pdbx_ls_sigma_F ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 8.0 _refine.ls_d_res_high 1.8 _refine.ls_percent_reflns_obs ? _refine.ls_R_factor_obs 0.135 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work ? _refine.ls_R_factor_R_free ? _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free ? _refine.ls_number_reflns_R_free ? _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.B_iso_mean ? _refine.aniso_B[1][1] ? _refine.aniso_B[2][2] ? _refine.aniso_B[3][3] ? _refine.aniso_B[1][2] ? _refine.aniso_B[1][3] ? _refine.aniso_B[2][3] ? _refine.solvent_model_details ? _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_ls_cross_valid_method ? _refine.details ? _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct ? _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values ? _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML ? _refine.overall_SU_B ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.ls_redundancy_reflns_obs ? _refine.pdbx_overall_phase_error ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 2401 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 11 _refine_hist.number_atoms_solvent 247 _refine_hist.number_atoms_total 2659 _refine_hist.d_res_high 1.8 _refine_hist.d_res_low 8.0 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function p_bond_d 0.015 ? ? ? 'X-RAY DIFFRACTION' ? p_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ? p_angle_deg ? ? ? ? 'X-RAY DIFFRACTION' ? p_planar_d ? ? ? ? 'X-RAY DIFFRACTION' ? p_hb_or_metal_coord ? ? ? ? 'X-RAY DIFFRACTION' ? p_mcbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? p_mcangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? p_scbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? p_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? p_plane_restr ? ? ? ? 'X-RAY DIFFRACTION' ? p_chiral_restr ? ? ? ? 'X-RAY DIFFRACTION' ? p_singtor_nbd ? ? ? ? 'X-RAY DIFFRACTION' ? p_multtor_nbd ? ? ? ? 'X-RAY DIFFRACTION' ? p_xhyhbond_nbd ? ? ? ? 'X-RAY DIFFRACTION' ? p_xyhbond_nbd ? ? ? ? 'X-RAY DIFFRACTION' ? p_planar_tor ? ? ? ? 'X-RAY DIFFRACTION' ? p_staggered_tor ? ? ? ? 'X-RAY DIFFRACTION' ? p_orthonormal_tor ? ? ? ? 'X-RAY DIFFRACTION' ? p_transverse_tor ? ? ? ? 'X-RAY DIFFRACTION' ? p_special_tor ? ? ? ? 'X-RAY DIFFRACTION' ? # _struct.entry_id 1APT _struct.title 'CRYSTALLOGRAPHIC ANALYSIS OF A PEPSTATIN ANALOGUE BINDING TO THE ASPARTYL PROTEINASE PENICILLOPEPSIN AT 1.8 ANGSTROMS RESOLUTION' _struct.pdbx_descriptor ;ACID PROTEINASE (PENICILLOPEPSIN) (E.C.3.4.23.20) COMPLEX WITH A TETRAHEDRAL TRANSITION STATE MIMIC INHIBITOR: ISOVALERYL (IVA)-VAL-VAL-LYSTA-O-ET (LYSTA IS A LYSYL SIDE CHAIN ANALOGUE OF STATIN) ; _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 1APT _struct_keywords.pdbx_keywords 'HYDROLASE/HYDROLASE INHIBITOR' _struct_keywords.text 'ACID PROTEINASE, HYDROLASE-HYDROLASE INHIBITOR complex' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 3 ? D N N 4 ? E N N 4 ? # _struct_biol.id 1 _struct_biol.details ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 ALA A 12 ? GLU A 15 ? ALA E 12 GLU E 15 5 ? 4 HELX_P HELX_P2 2 PRO A 47 ? SER A 52 ? PRO E 47 SER E 52 1 ? 6 HELX_P HELX_P3 3 ASN A 58 ? GLY A 63 ? ASN E 58 GLY E 63 1 ? 6 HELX_P HELX_P4 4 SER A 109 ? ASP A 115 ? SER E 109 ASP E 115 1 ? 7 HELX_P HELX_P5 5 PHE A 126 ? ASN A 130 ? PHE E 126 ASN E 130 5 ? 5 HELX_P HELX_P6 6 THR A 139 ? LYS A 145 ? THR E 139 LYS E 145 1 ? 7 HELX_P HELX_P7 7 ASP A 171 ? LYS A 174 ? ASP E 171 LYS E 174 5 ? 4 HELX_P HELX_P8 8 ASP A 222 ? SER A 231 ? ASP E 222 SER E 231 1 ? 10 HELX_P HELX_P9 9 PRO A 268 ? ILE A 272 ? PRO E 268 ILE E 272 1 ? 5 HELX_P HELX_P10 10 GLY A 299 ? LYS A 304 ? GLY E 299 LYS E 304 1 ? 6 # _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 249 SG ? ? ? 1_555 A CYS 283 SG ? ? E CYS 249 E CYS 283 1_555 ? ? ? ? ? ? ? 2.073 ? covale1 covale ? ? A SER 3 OG ? ? ? 1_555 C MAN . C1 ? ? E SER 3 E MAN 334 1_555 ? ? ? ? ? ? ? 1.422 ? covale2 covale ? ? B LTA 4 N ? ? ? 1_555 B VAL 3 C ? ? I LTA 1 I VAL 2 1_555 ? ? ? ? ? ? ? 1.332 ? covale3 covale ? ? B VAL 2 N ? ? ? 1_555 B IVA 1 C ? ? I VAL 3 I IVA 4 1_555 ? ? ? ? ? ? ? 1.300 ? # 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 GLN 133 A . ? GLN 133 E PRO 134 A ? PRO 134 E 1 2.36 2 GLY 314 A . ? GLY 314 E PRO 315 A ? PRO 315 E 1 -2.87 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 7 ? B ? 4 ? # 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 A 4 5 ? parallel A 5 6 ? anti-parallel A 6 7 ? parallel B 1 2 ? anti-parallel B 2 3 ? anti-parallel B 3 4 ? 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 TYR A 263 ? VAL A 267 ? TYR E 263 VAL E 267 A 2 PHE A 256 ? ILE A 260 ? PHE E 256 ILE E 260 A 3 SER A 192 ? ALA A 200 ? SER E 192 ALA E 200 A 4 GLN A 203 ? ALA A 212 ? GLN E 203 ALA E 212 A 5 SER A 296 ? PHE A 298 ? SER E 296 PHE E 298 A 6 LEU A 219 ? LEU A 221 ? LEU E 219 LEU E 221 A 7 ILE A 287 ? SER A 289 ? ILE E 287 SER E 289 B 1 GLN A 237 ? ASP A 239 ? GLN E 237 ASP E 239 B 2 GLY A 244 ? PHE A 247 ? GLY E 244 PHE E 247 B 3 CYS A 283 ? GLY A 285 ? CYS E 283 GLY E 285 B 4 ASN A 273 ? PRO A 276 ? ASN E 273 PRO E 276 # 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 VAL A 267 ? N VAL E 267 O PHE A 256 ? O PHE E 256 A 2 3 O SER A 259 ? O SER E 259 N ASP A 196 ? N ASP E 196 A 3 4 N ALA A 200 ? N ALA E 200 O GLN A 203 ? O GLN E 203 A 4 5 O SER A 209 ? O SER E 209 N SER A 296 ? N SER E 296 A 5 6 O ILE A 297 ? O ILE E 297 N LEU A 220 ? N LEU E 220 A 6 7 O LEU A 219 ? O LEU E 219 N GLN A 288 ? N GLN E 288 B 1 2 N ASP A 239 ? N ASP E 239 O GLY A 244 ? O GLY E 244 B 2 3 O PHE A 247 ? O PHE E 247 N CYS A 283 ? N CYS E 283 B 3 4 O LEU A 284 ? O LEU E 284 N TYR A 274 ? N TYR E 274 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software ? ? ? ? 10 'BINDING SITE FOR RESIDUE MAN E 334' AC2 Software ? ? ? ? 16 'BINDING SITE FOR CHAIN I OF INHIBITOR ISOVALERYL (IVA)-VAL-VAL-LYSTA-O-ET (LYSTA IS A LYSYL SIDE CHAIN ANALOGUE OF STATIN' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 10 SER A 3 ? SER E 3 . ? 1_555 ? 2 AC1 10 THR A 9 ? THR E 9 . ? 4_555 ? 3 AC1 10 PRO A 10 ? PRO E 10 . ? 4_555 ? 4 AC1 10 THR A 11 ? THR E 11 . ? 4_555 ? 5 AC1 10 GLN A 160 ? GLN E 160 . ? 4_555 ? 6 AC1 10 GLN A 161 ? GLN E 161 . ? 4_555 ? 7 AC1 10 PRO A 162 ? PRO E 162 . ? 4_555 ? 8 AC1 10 HOH D . ? HOH E 480 . ? 4_555 ? 9 AC1 10 HOH D . ? HOH E 488 . ? 1_555 ? 10 AC1 10 HOH D . ? HOH E 503 . ? 4_555 ? 11 AC2 16 GLU A 15 ? GLU E 15 . ? 1_555 ? 12 AC2 16 ASP A 33 ? ASP E 33 . ? 1_555 ? 13 AC2 16 GLY A 35 ? GLY E 35 . ? 1_555 ? 14 AC2 16 TYR A 75 ? TYR E 75 . ? 1_555 ? 15 AC2 16 GLY A 76 ? GLY E 76 . ? 1_555 ? 16 AC2 16 ASP A 77 ? ASP E 77 . ? 1_555 ? 17 AC2 16 SER A 79 ? SER E 79 . ? 1_555 ? 18 AC2 16 PHE A 112 ? PHE E 112 . ? 1_555 ? 19 AC2 16 ILE A 211 ? ILE E 211 . ? 1_555 ? 20 AC2 16 ASP A 213 ? ASP E 213 . ? 1_555 ? 21 AC2 16 GLY A 215 ? GLY E 215 . ? 1_555 ? 22 AC2 16 THR A 216 ? THR E 216 . ? 1_555 ? 23 AC2 16 THR A 217 ? THR E 217 . ? 1_555 ? 24 AC2 16 LEU A 218 ? LEU E 218 . ? 1_555 ? 25 AC2 16 HOH E . ? HOH I 409 . ? 1_555 ? 26 AC2 16 HOH E . ? HOH I 473 . ? 1_555 ? # _database_PDB_matrix.entry_id 1APT _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 1APT _atom_sites.fract_transf_matrix[1][1] 0.010249 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.005032 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.021519 _atom_sites.fract_transf_matrix[2][3] 0.000000 _atom_sites.fract_transf_matrix[3][1] 0.000000 _atom_sites.fract_transf_matrix[3][2] 0.000000 _atom_sites.fract_transf_matrix[3][3] 0.016780 _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_sites_footnote.id _atom_sites_footnote.text 1 'RESIDUES PRO E 134 AND PRO E 315 ARE CIS PROLINES.' 2 'THE REGION FROM SER E 277 TO SER E 281 IS POORLY ORDERED.' 3 'WATER MOLECULE 411, IS SITTING ON A SPECIAL POSITION.' # 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 . ALA A 1 1 ? 37.533 31.837 0.970 1.00 33.32 ? 1 ALA E N 1 ATOM 2 C CA . ALA A 1 1 ? 36.726 31.281 2.104 1.00 33.71 ? 1 ALA E CA 1 ATOM 3 C C . ALA A 1 1 ? 36.151 29.925 1.655 1.00 32.49 ? 1 ALA E C 1 ATOM 4 O O . ALA A 1 1 ? 35.996 29.651 0.441 1.00 36.41 ? 1 ALA E O 1 ATOM 5 C CB . ALA A 1 1 ? 35.720 32.297 2.618 1.00 31.70 ? 1 ALA E CB 1 ATOM 6 N N . ALA A 1 2 ? 35.887 29.047 2.611 1.00 28.92 ? 2 ALA E N 1 ATOM 7 C CA . ALA A 1 2 ? 35.374 27.722 2.267 1.00 22.89 ? 2 ALA E CA 1 ATOM 8 C C . ALA A 1 2 ? 33.893 27.669 2.659 1.00 17.25 ? 2 ALA E C 1 ATOM 9 O O . ALA A 1 2 ? 33.320 28.420 3.435 1.00 14.84 ? 2 ALA E O 1 ATOM 10 C CB . ALA A 1 2 ? 36.205 26.625 2.964 1.00 24.90 ? 2 ALA E CB 1 ATOM 11 N N . SER A 1 3 ? 33.329 26.675 1.990 1.00 13.08 ? 3 SER E N 1 ATOM 12 C CA . SER A 1 3 ? 31.903 26.338 2.239 1.00 9.59 ? 3 SER E CA 1 ATOM 13 C C . SER A 1 3 ? 31.802 24.974 1.591 1.00 9.97 ? 3 SER E C 1 ATOM 14 O O . SER A 1 3 ? 32.697 24.621 0.751 1.00 9.37 ? 3 SER E O 1 ATOM 15 C CB . SER A 1 3 ? 30.991 27.438 1.702 1.00 9.78 ? 3 SER E CB 1 ATOM 16 O OG . SER A 1 3 ? 30.981 27.127 0.286 1.00 11.49 ? 3 SER E OG 1 ATOM 17 N N . GLY A 1 4 ? 30.780 24.193 1.933 1.00 7.73 ? 4 GLY E N 1 ATOM 18 C CA . GLY A 1 4 ? 30.656 22.879 1.274 1.00 9.21 ? 4 GLY E CA 1 ATOM 19 C C . GLY A 1 4 ? 29.277 22.356 1.705 1.00 8.08 ? 4 GLY E C 1 ATOM 20 O O . GLY A 1 4 ? 28.648 22.814 2.680 1.00 11.58 ? 4 GLY E O 1 ATOM 21 N N . VAL A 1 5 ? 28.876 21.374 0.940 1.00 10.85 ? 5 VAL E N 1 ATOM 22 C CA . VAL A 1 5 ? 27.620 20.678 1.149 1.00 11.26 ? 5 VAL E CA 1 ATOM 23 C C . VAL A 1 5 ? 27.925 19.183 1.294 1.00 11.25 ? 5 VAL E C 1 ATOM 24 O O . VAL A 1 5 ? 28.541 18.660 0.342 1.00 13.70 ? 5 VAL E O 1 ATOM 25 C CB . VAL A 1 5 ? 26.622 20.835 -0.034 1.00 15.77 ? 5 VAL E CB 1 ATOM 26 C CG1 . VAL A 1 5 ? 25.307 20.061 0.188 1.00 14.73 ? 5 VAL E CG1 1 ATOM 27 C CG2 . VAL A 1 5 ? 26.384 22.298 -0.335 1.00 18.88 ? 5 VAL E CG2 1 ATOM 28 N N . ALA A 1 6 ? 27.452 18.631 2.393 1.00 10.39 ? 6 ALA E N 1 ATOM 29 C CA . ALA A 1 6 ? 27.657 17.165 2.510 1.00 8.17 ? 6 ALA E CA 1 ATOM 30 C C . ALA A 1 6 ? 26.229 16.609 2.469 1.00 8.98 ? 6 ALA E C 1 ATOM 31 O O . ALA A 1 6 ? 25.342 17.166 3.123 1.00 11.08 ? 6 ALA E O 1 ATOM 32 C CB . ALA A 1 6 ? 28.411 16.900 3.796 1.00 11.71 ? 6 ALA E CB 1 ATOM 33 N N . THR A 1 7 ? 26.041 15.541 1.717 1.00 8.81 ? 7 THR E N 1 ATOM 34 C CA . THR A 1 7 ? 24.709 14.916 1.620 1.00 9.08 ? 7 THR E CA 1 ATOM 35 C C . THR A 1 7 ? 24.523 13.839 2.670 1.00 9.68 ? 7 THR E C 1 ATOM 36 O O . THR A 1 7 ? 25.399 12.966 2.790 1.00 11.76 ? 7 THR E O 1 ATOM 37 C CB . THR A 1 7 ? 24.509 14.264 0.178 1.00 10.62 ? 7 THR E CB 1 ATOM 38 O OG1 . THR A 1 7 ? 24.693 15.374 -0.768 1.00 14.94 ? 7 THR E OG1 1 ATOM 39 C CG2 . THR A 1 7 ? 23.162 13.573 -0.026 1.00 12.98 ? 7 THR E CG2 1 ATOM 40 N N . ASN A 1 8 ? 23.433 13.875 3.383 1.00 7.83 ? 8 ASN E N 1 ATOM 41 C CA . ASN A 1 8 ? 23.118 12.839 4.375 1.00 8.45 ? 8 ASN E CA 1 ATOM 42 C C . ASN A 1 8 ? 22.003 11.956 3.752 1.00 8.49 ? 8 ASN E C 1 ATOM 43 O O . ASN A 1 8 ? 21.229 12.378 2.849 1.00 10.84 ? 8 ASN E O 1 ATOM 44 C CB . ASN A 1 8 ? 22.766 13.463 5.695 1.00 10.36 ? 8 ASN E CB 1 ATOM 45 C CG . ASN A 1 8 ? 21.556 14.380 5.660 1.00 13.36 ? 8 ASN E CG 1 ATOM 46 O OD1 . ASN A 1 8 ? 20.459 13.903 5.341 1.00 14.72 ? 8 ASN E OD1 1 ATOM 47 N ND2 . ASN A 1 8 ? 21.690 15.647 6.021 1.00 11.45 ? 8 ASN E ND2 1 ATOM 48 N N . THR A 1 9 ? 21.969 10.744 4.308 1.00 8.61 ? 9 THR E N 1 ATOM 49 C CA . THR A 1 9 ? 20.977 9.734 3.912 1.00 10.04 ? 9 THR E CA 1 ATOM 50 C C . THR A 1 9 ? 20.442 8.994 5.138 1.00 10.01 ? 9 THR E C 1 ATOM 51 O O . THR A 1 9 ? 21.292 8.499 5.883 1.00 9.75 ? 9 THR E O 1 ATOM 52 C CB . THR A 1 9 ? 21.521 8.556 2.978 1.00 14.55 ? 9 THR E CB 1 ATOM 53 O OG1 . THR A 1 9 ? 22.418 9.184 2.037 1.00 27.03 ? 9 THR E OG1 1 ATOM 54 C CG2 . THR A 1 9 ? 20.331 7.863 2.270 1.00 15.81 ? 9 THR E CG2 1 ATOM 55 N N . PRO A 1 10 ? 19.127 8.951 5.259 1.00 9.95 ? 10 PRO E N 1 ATOM 56 C CA . PRO A 1 10 ? 18.560 8.243 6.396 1.00 10.65 ? 10 PRO E CA 1 ATOM 57 C C . PRO A 1 10 ? 18.695 6.731 6.153 1.00 11.99 ? 10 PRO E C 1 ATOM 58 O O . PRO A 1 10 ? 18.775 6.242 5.010 1.00 10.39 ? 10 PRO E O 1 ATOM 59 C CB . PRO A 1 10 ? 17.069 8.646 6.404 1.00 12.28 ? 10 PRO E CB 1 ATOM 60 C CG . PRO A 1 10 ? 16.792 9.046 4.950 1.00 9.13 ? 10 PRO E CG 1 ATOM 61 C CD . PRO A 1 10 ? 18.107 9.584 4.384 1.00 8.94 ? 10 PRO E CD 1 ATOM 62 N N . THR A 1 11 ? 18.775 6.053 7.284 1.00 12.25 ? 11 THR E N 1 ATOM 63 C CA . THR A 1 11 ? 18.811 4.592 7.260 1.00 11.11 ? 11 THR E CA 1 ATOM 64 C C . THR A 1 11 ? 17.317 4.241 7.357 1.00 13.02 ? 11 THR E C 1 ATOM 65 O O . THR A 1 11 ? 16.417 5.123 7.327 1.00 12.44 ? 11 THR E O 1 ATOM 66 C CB . THR A 1 11 ? 19.706 4.023 8.413 1.00 14.22 ? 11 THR E CB 1 ATOM 67 O OG1 . THR A 1 11 ? 18.944 4.357 9.608 1.00 9.73 ? 11 THR E OG1 1 ATOM 68 C CG2 . THR A 1 11 ? 21.134 4.549 8.314 1.00 12.02 ? 11 THR E CG2 1 ATOM 69 N N . ALA A 1 12 ? 17.042 2.948 7.474 1.00 15.66 ? 12 ALA E N 1 ATOM 70 C CA . ALA A 1 12 ? 15.660 2.432 7.569 1.00 15.37 ? 12 ALA E CA 1 ATOM 71 C C . ALA A 1 12 ? 14.898 3.172 8.661 1.00 16.99 ? 12 ALA E C 1 ATOM 72 O O . ALA A 1 12 ? 15.411 3.348 9.792 1.00 15.67 ? 12 ALA E O 1 ATOM 73 C CB . ALA A 1 12 ? 15.684 0.926 7.790 1.00 17.97 ? 12 ALA E CB 1 ATOM 74 N N . ASN A 1 13 ? 13.707 3.611 8.291 1.00 15.79 ? 13 ASN E N 1 ATOM 75 C CA . ASN A 1 13 ? 12.813 4.354 9.167 1.00 15.18 ? 13 ASN E CA 1 ATOM 76 C C . ASN A 1 13 ? 13.414 5.681 9.644 1.00 13.58 ? 13 ASN E C 1 ATOM 77 O O . ASN A 1 13 ? 12.837 6.175 10.614 1.00 14.44 ? 13 ASN E O 1 ATOM 78 C CB . ASN A 1 13 ? 12.451 3.522 10.406 1.00 23.49 ? 13 ASN E CB 1 ATOM 79 C CG . ASN A 1 13 ? 11.549 2.380 9.962 1.00 29.52 ? 13 ASN E CG 1 ATOM 80 O OD1 . ASN A 1 13 ? 11.895 1.245 10.330 1.00 38.81 ? 13 ASN E OD1 1 ATOM 81 N ND2 . ASN A 1 13 ? 10.503 2.732 9.213 1.00 31.53 ? 13 ASN E ND2 1 ATOM 82 N N . ASP A 1 14 ? 14.498 6.109 9.030 1.00 11.88 ? 14 ASP E N 1 ATOM 83 C CA . ASP A 1 14 ? 15.148 7.372 9.464 1.00 9.18 ? 14 ASP E CA 1 ATOM 84 C C . ASP A 1 14 ? 15.687 7.216 10.884 1.00 10.37 ? 14 ASP E C 1 ATOM 85 O O . ASP A 1 14 ? 15.651 8.199 11.660 1.00 9.59 ? 14 ASP E O 1 ATOM 86 C CB . ASP A 1 14 ? 14.161 8.528 9.395 1.00 10.43 ? 14 ASP E CB 1 ATOM 87 C CG . ASP A 1 14 ? 13.487 8.863 8.102 1.00 9.45 ? 14 ASP E CG 1 ATOM 88 O OD1 . ASP A 1 14 ? 12.509 9.656 8.158 1.00 11.78 ? 14 ASP E OD1 1 ATOM 89 O OD2 . ASP A 1 14 ? 13.878 8.410 7.023 1.00 9.96 ? 14 ASP E OD2 1 ATOM 90 N N . GLU A 1 15 ? 16.159 6.036 11.215 1.00 8.53 ? 15 GLU E N 1 ATOM 91 C CA . GLU A 1 15 ? 16.693 5.814 12.571 1.00 9.36 ? 15 GLU E CA 1 ATOM 92 C C . GLU A 1 15 ? 17.929 6.682 12.842 1.00 7.92 ? 15 GLU E C 1 ATOM 93 O O . GLU A 1 15 ? 18.142 7.180 13.983 1.00 8.02 ? 15 GLU E O 1 ATOM 94 C CB . GLU A 1 15 ? 17.107 4.361 12.673 1.00 12.20 ? 15 GLU E CB 1 ATOM 95 C CG . GLU A 1 15 ? 17.452 4.143 14.197 1.00 21.33 ? 15 GLU E CG 1 ATOM 96 C CD . GLU A 1 15 ? 17.557 2.653 14.432 1.00 29.77 ? 15 GLU E CD 1 ATOM 97 O OE1 . GLU A 1 15 ? 17.474 1.852 13.525 1.00 36.46 ? 15 GLU E OE1 1 ATOM 98 O OE2 . GLU A 1 15 ? 17.722 2.388 15.633 1.00 33.08 ? 15 GLU E OE2 1 ATOM 99 N N . GLU A 1 16 ? 18.732 6.825 11.810 1.00 6.62 ? 16 GLU E N 1 ATOM 100 C CA . GLU A 1 16 ? 19.954 7.660 11.874 1.00 7.56 ? 16 GLU E CA 1 ATOM 101 C C . GLU A 1 16 ? 20.242 8.160 10.455 1.00 7.79 ? 16 GLU E C 1 ATOM 102 O O . GLU A 1 16 ? 19.670 7.645 9.493 1.00 8.89 ? 16 GLU E O 1 ATOM 103 C CB . GLU A 1 16 ? 21.148 6.927 12.431 1.00 12.92 ? 16 GLU E CB 1 ATOM 104 C CG . GLU A 1 16 ? 21.610 5.703 11.640 1.00 19.98 ? 16 GLU E CG 1 ATOM 105 C CD . GLU A 1 16 ? 22.690 5.007 12.452 1.00 27.54 ? 16 GLU E CD 1 ATOM 106 O OE1 . GLU A 1 16 ? 23.837 5.154 12.130 1.00 31.45 ? 16 GLU E OE1 1 ATOM 107 O OE2 . GLU A 1 16 ? 22.287 4.379 13.444 1.00 34.30 ? 16 GLU E OE2 1 ATOM 108 N N . TYR A 1 17 ? 21.100 9.195 10.387 1.00 8.20 ? 17 TYR E N 1 ATOM 109 C CA . TYR A 1 17 ? 21.465 9.829 9.090 1.00 5.48 ? 17 TYR E CA 1 ATOM 110 C C . TYR A 1 17 ? 22.982 9.643 8.940 1.00 9.83 ? 17 TYR E C 1 ATOM 111 O O . TYR A 1 17 ? 23.695 9.917 9.949 1.00 12.08 ? 17 TYR E O 1 ATOM 112 C CB . TYR A 1 17 ? 21.070 11.327 9.068 1.00 7.45 ? 17 TYR E CB 1 ATOM 113 C CG . TYR A 1 17 ? 19.535 11.453 8.985 1.00 5.56 ? 17 TYR E CG 1 ATOM 114 C CD1 . TYR A 1 17 ? 18.776 11.188 10.096 1.00 4.72 ? 17 TYR E CD1 1 ATOM 115 C CD2 . TYR A 1 17 ? 18.943 11.762 7.776 1.00 8.48 ? 17 TYR E CD2 1 ATOM 116 C CE1 . TYR A 1 17 ? 17.369 11.274 10.040 1.00 7.60 ? 17 TYR E CE1 1 ATOM 117 C CE2 . TYR A 1 17 ? 17.533 11.861 7.709 1.00 8.45 ? 17 TYR E CE2 1 ATOM 118 C CZ . TYR A 1 17 ? 16.777 11.621 8.828 1.00 7.38 ? 17 TYR E CZ 1 ATOM 119 O OH . TYR A 1 17 ? 15.413 11.696 8.731 1.00 13.09 ? 17 TYR E OH 1 ATOM 120 N N . ILE A 1 18 ? 23.397 9.194 7.771 1.00 6.34 ? 18 ILE E N 1 ATOM 121 C CA . ILE A 1 18 ? 24.863 8.952 7.581 1.00 8.08 ? 18 ILE E CA 1 ATOM 122 C C . ILE A 1 18 ? 25.298 9.827 6.408 1.00 9.91 ? 18 ILE E C 1 ATOM 123 O O . ILE A 1 18 ? 24.599 10.116 5.401 1.00 8.37 ? 18 ILE E O 1 ATOM 124 C CB . ILE A 1 18 ? 25.105 7.414 7.552 1.00 14.38 ? 18 ILE E CB 1 ATOM 125 C CG1 . ILE A 1 18 ? 24.249 6.751 6.459 1.00 22.64 ? 18 ILE E CG1 1 ATOM 126 C CG2 . ILE A 1 18 ? 24.670 6.692 8.869 1.00 13.01 ? 18 ILE E CG2 1 ATOM 127 C CD1 . ILE A 1 18 ? 25.027 5.945 5.392 1.00 30.04 ? 18 ILE E CD1 1 ATOM 128 N N . THR A 1 19 ? 26.547 10.248 6.544 1.00 7.28 ? 19 THR E N 1 ATOM 129 C CA . THR A 1 19 ? 27.242 11.134 5.620 1.00 8.10 ? 19 THR E CA 1 ATOM 130 C C . THR A 1 19 ? 28.705 10.655 5.458 1.00 5.58 ? 19 THR E C 1 ATOM 131 O O . THR A 1 19 ? 29.313 10.357 6.491 1.00 7.26 ? 19 THR E O 1 ATOM 132 C CB . THR A 1 19 ? 27.263 12.600 6.218 1.00 9.20 ? 19 THR E CB 1 ATOM 133 O OG1 . THR A 1 19 ? 25.882 12.960 6.549 1.00 12.93 ? 19 THR E OG1 1 ATOM 134 C CG2 . THR A 1 19 ? 27.924 13.594 5.257 1.00 8.61 ? 19 THR E CG2 1 ATOM 135 N N . PRO A 1 20 ? 29.131 10.618 4.237 1.00 8.78 ? 20 PRO E N 1 ATOM 136 C CA . PRO A 1 20 ? 30.523 10.202 3.968 1.00 8.19 ? 20 PRO E CA 1 ATOM 137 C C . PRO A 1 20 ? 31.530 11.289 4.403 1.00 8.79 ? 20 PRO E C 1 ATOM 138 O O . PRO A 1 20 ? 31.334 12.518 4.267 1.00 9.63 ? 20 PRO E O 1 ATOM 139 C CB . PRO A 1 20 ? 30.547 10.020 2.445 1.00 9.65 ? 20 PRO E CB 1 ATOM 140 C CG . PRO A 1 20 ? 29.398 10.819 1.916 1.00 9.97 ? 20 PRO E CG 1 ATOM 141 C CD . PRO A 1 20 ? 28.360 10.941 3.014 1.00 8.02 ? 20 PRO E CD 1 ATOM 142 N N . VAL A 1 21 ? 32.651 10.816 4.956 1.00 7.04 ? 21 VAL E N 1 ATOM 143 C CA . VAL A 1 21 ? 33.741 11.653 5.449 1.00 8.37 ? 21 VAL E CA 1 ATOM 144 C C . VAL A 1 21 ? 35.058 10.985 5.003 1.00 8.05 ? 21 VAL E C 1 ATOM 145 O O . VAL A 1 21 ? 35.122 9.773 5.253 1.00 8.13 ? 21 VAL E O 1 ATOM 146 C CB . VAL A 1 21 ? 33.702 11.723 7.001 1.00 7.61 ? 21 VAL E CB 1 ATOM 147 C CG1 . VAL A 1 21 ? 34.885 12.542 7.555 1.00 10.06 ? 21 VAL E CG1 1 ATOM 148 C CG2 . VAL A 1 21 ? 32.394 12.316 7.509 1.00 9.26 ? 21 VAL E CG2 1 ATOM 149 N N . THR A 1 22 ? 35.962 11.752 4.447 1.00 6.92 ? 22 THR E N 1 ATOM 150 C CA . THR A 1 22 ? 37.226 11.089 4.033 1.00 6.01 ? 22 THR E CA 1 ATOM 151 C C . THR A 1 22 ? 38.285 11.407 5.068 1.00 7.39 ? 22 THR E C 1 ATOM 152 O O . THR A 1 22 ? 38.508 12.585 5.321 1.00 7.26 ? 22 THR E O 1 ATOM 153 C CB . THR A 1 22 ? 37.646 11.490 2.582 1.00 10.09 ? 22 THR E CB 1 ATOM 154 O OG1 . THR A 1 22 ? 36.418 11.153 1.817 1.00 11.38 ? 22 THR E OG1 1 ATOM 155 C CG2 . THR A 1 22 ? 38.887 10.790 1.993 1.00 8.79 ? 22 THR E CG2 1 ATOM 156 N N . ILE A 1 23 ? 38.892 10.355 5.594 1.00 7.45 ? 23 ILE E N 1 ATOM 157 C CA . ILE A 1 23 ? 39.958 10.495 6.582 1.00 9.23 ? 23 ILE E CA 1 ATOM 158 C C . ILE A 1 23 ? 41.256 9.854 6.082 1.00 12.04 ? 23 ILE E C 1 ATOM 159 O O . ILE A 1 23 ? 41.219 8.621 5.887 1.00 11.34 ? 23 ILE E O 1 ATOM 160 C CB . ILE A 1 23 ? 39.523 9.900 7.958 1.00 12.10 ? 23 ILE E CB 1 ATOM 161 C CG1 . ILE A 1 23 ? 38.178 10.617 8.304 1.00 10.94 ? 23 ILE E CG1 1 ATOM 162 C CG2 . ILE A 1 23 ? 40.671 10.093 8.975 1.00 10.83 ? 23 ILE E CG2 1 ATOM 163 C CD1 . ILE A 1 23 ? 37.467 9.967 9.514 1.00 20.79 ? 23 ILE E CD1 1 ATOM 164 N N . GLY A 1 24 ? 42.259 10.704 5.916 1.00 13.10 ? 24 GLY E N 1 ATOM 165 C CA . GLY A 1 24 ? 43.543 10.207 5.398 1.00 15.35 ? 24 GLY E CA 1 ATOM 166 C C . GLY A 1 24 ? 43.284 9.382 4.115 1.00 19.54 ? 24 GLY E C 1 ATOM 167 O O . GLY A 1 24 ? 43.885 8.273 4.057 1.00 24.32 ? 24 GLY E O 1 ATOM 168 N N . GLY A 1 25 ? 42.471 9.844 3.187 1.00 16.07 ? 25 GLY E N 1 ATOM 169 C CA . GLY A 1 25 ? 42.230 9.045 1.943 1.00 16.27 ? 25 GLY E CA 1 ATOM 170 C C . GLY A 1 25 ? 41.136 7.978 1.995 1.00 16.74 ? 25 GLY E C 1 ATOM 171 O O . GLY A 1 25 ? 40.701 7.506 0.897 1.00 16.69 ? 25 GLY E O 1 ATOM 172 N N . THR A 1 26 ? 40.687 7.570 3.170 1.00 10.79 ? 26 THR E N 1 ATOM 173 C CA . THR A 1 26 ? 39.625 6.537 3.240 1.00 10.31 ? 26 THR E CA 1 ATOM 174 C C . THR A 1 26 ? 38.254 7.143 3.517 1.00 11.63 ? 26 THR E C 1 ATOM 175 O O . THR A 1 26 ? 38.158 7.904 4.524 1.00 11.78 ? 26 THR E O 1 ATOM 176 C CB . THR A 1 26 ? 39.928 5.485 4.377 1.00 16.60 ? 26 THR E CB 1 ATOM 177 O OG1 . THR A 1 26 ? 41.243 4.948 4.052 1.00 17.76 ? 26 THR E OG1 1 ATOM 178 C CG2 . THR A 1 26 ? 38.947 4.303 4.507 1.00 18.39 ? 26 THR E CG2 1 ATOM 179 N N . THR A 1 27 ? 37.268 6.718 2.739 1.00 6.83 ? 27 THR E N 1 ATOM 180 C CA . THR A 1 27 ? 35.903 7.283 3.021 1.00 6.88 ? 27 THR E CA 1 ATOM 181 C C . THR A 1 27 ? 35.128 6.357 3.960 1.00 9.53 ? 27 THR E C 1 ATOM 182 O O . THR A 1 27 ? 35.018 5.144 3.684 1.00 7.94 ? 27 THR E O 1 ATOM 183 C CB . THR A 1 27 ? 35.071 7.529 1.709 1.00 7.50 ? 27 THR E CB 1 ATOM 184 O OG1 . THR A 1 27 ? 35.874 8.380 0.851 1.00 8.27 ? 27 THR E OG1 1 ATOM 185 C CG2 . THR A 1 27 ? 33.669 8.120 1.993 1.00 6.37 ? 27 THR E CG2 1 ATOM 186 N N . LEU A 1 28 ? 34.595 6.951 5.041 1.00 7.06 ? 28 LEU E N 1 ATOM 187 C CA . LEU A 1 28 ? 33.818 6.228 6.021 1.00 9.36 ? 28 LEU E CA 1 ATOM 188 C C . LEU A 1 28 ? 32.401 6.873 6.062 1.00 8.38 ? 28 LEU E C 1 ATOM 189 O O . LEU A 1 28 ? 32.311 8.081 5.792 1.00 7.90 ? 28 LEU E O 1 ATOM 190 C CB . LEU A 1 28 ? 34.428 6.293 7.411 1.00 13.13 ? 28 LEU E CB 1 ATOM 191 C CG . LEU A 1 28 ? 35.856 6.041 7.790 1.00 20.63 ? 28 LEU E CG 1 ATOM 192 C CD1 . LEU A 1 28 ? 35.939 5.202 9.074 1.00 19.29 ? 28 LEU E CD1 1 ATOM 193 C CD2 . LEU A 1 28 ? 36.626 5.331 6.702 1.00 24.35 ? 28 LEU E CD2 1 ATOM 194 N N . ASN A 1 29 ? 31.413 6.087 6.444 1.00 8.27 ? 29 ASN E N 1 ATOM 195 C CA . ASN A 1 29 ? 30.036 6.635 6.538 1.00 7.88 ? 29 ASN E CA 1 ATOM 196 C C . ASN A 1 29 ? 29.794 6.977 8.032 1.00 6.11 ? 29 ASN E C 1 ATOM 197 O O . ASN A 1 29 ? 29.706 6.019 8.809 1.00 8.83 ? 29 ASN E O 1 ATOM 198 C CB . ASN A 1 29 ? 29.003 5.642 6.009 1.00 8.46 ? 29 ASN E CB 1 ATOM 199 C CG . ASN A 1 29 ? 29.078 5.587 4.480 1.00 12.65 ? 29 ASN E CG 1 ATOM 200 O OD1 . ASN A 1 29 ? 29.416 6.607 3.873 1.00 13.97 ? 29 ASN E OD1 1 ATOM 201 N ND2 . ASN A 1 29 ? 28.695 4.447 3.928 1.00 12.91 ? 29 ASN E ND2 1 ATOM 202 N N . LEU A 1 30 ? 29.752 8.291 8.318 1.00 7.27 ? 30 LEU E N 1 ATOM 203 C CA . LEU A 1 30 ? 29.549 8.621 9.743 1.00 5.38 ? 30 LEU E CA 1 ATOM 204 C C . LEU A 1 30 ? 28.198 9.198 10.089 1.00 4.76 ? 30 LEU E C 1 ATOM 205 O O . LEU A 1 30 ? 27.538 9.777 9.262 1.00 7.57 ? 30 LEU E O 1 ATOM 206 C CB . LEU A 1 30 ? 30.685 9.566 10.212 1.00 7.87 ? 30 LEU E CB 1 ATOM 207 C CG . LEU A 1 30 ? 32.133 9.114 9.936 1.00 8.96 ? 30 LEU E CG 1 ATOM 208 C CD1 . LEU A 1 30 ? 33.138 10.070 10.607 1.00 9.19 ? 30 LEU E CD1 1 ATOM 209 C CD2 . LEU A 1 30 ? 32.363 7.733 10.510 1.00 6.88 ? 30 LEU E CD2 1 ATOM 210 N N . ASN A 1 31 ? 27.871 9.051 11.368 1.00 4.62 ? 31 ASN E N 1 ATOM 211 C CA . ASN A 1 31 ? 26.579 9.603 11.878 1.00 5.69 ? 31 ASN E CA 1 ATOM 212 C C . ASN A 1 31 ? 26.932 10.994 12.409 1.00 7.18 ? 31 ASN E C 1 ATOM 213 O O . ASN A 1 31 ? 27.700 11.038 13.416 1.00 5.65 ? 31 ASN E O 1 ATOM 214 C CB . ASN A 1 31 ? 26.147 8.606 12.953 1.00 7.52 ? 31 ASN E CB 1 ATOM 215 C CG . ASN A 1 31 ? 24.851 8.969 13.662 1.00 13.52 ? 31 ASN E CG 1 ATOM 216 O OD1 . ASN A 1 31 ? 24.366 8.246 14.572 1.00 14.81 ? 31 ASN E OD1 1 ATOM 217 N ND2 . ASN A 1 31 ? 24.289 10.116 13.310 1.00 6.21 ? 31 ASN E ND2 1 ATOM 218 N N . PHE A 1 32 ? 26.438 12.060 11.821 1.00 6.12 ? 32 PHE E N 1 ATOM 219 C CA . PHE A 1 32 ? 26.759 13.436 12.309 1.00 7.40 ? 32 PHE E CA 1 ATOM 220 C C . PHE A 1 32 ? 25.899 13.686 13.545 1.00 7.84 ? 32 PHE E C 1 ATOM 221 O O . PHE A 1 32 ? 24.680 13.600 13.361 1.00 6.88 ? 32 PHE E O 1 ATOM 222 C CB . PHE A 1 32 ? 26.540 14.522 11.264 1.00 6.82 ? 32 PHE E CB 1 ATOM 223 C CG . PHE A 1 32 ? 27.619 14.604 10.232 1.00 8.43 ? 32 PHE E CG 1 ATOM 224 C CD1 . PHE A 1 32 ? 28.444 13.473 10.001 1.00 6.29 ? 32 PHE E CD1 1 ATOM 225 C CD2 . PHE A 1 32 ? 27.798 15.763 9.499 1.00 9.01 ? 32 PHE E CD2 1 ATOM 226 C CE1 . PHE A 1 32 ? 29.450 13.531 9.038 1.00 8.54 ? 32 PHE E CE1 1 ATOM 227 C CE2 . PHE A 1 32 ? 28.805 15.807 8.489 1.00 9.14 ? 32 PHE E CE2 1 ATOM 228 C CZ . PHE A 1 32 ? 29.650 14.697 8.301 1.00 10.70 ? 32 PHE E CZ 1 ATOM 229 N N . ASP A 1 33 ? 26.505 13.979 14.677 1.00 4.61 ? 33 ASP E N 1 ATOM 230 C CA . ASP A 1 33 ? 25.758 14.153 15.922 1.00 4.33 ? 33 ASP E CA 1 ATOM 231 C C . ASP A 1 33 ? 25.891 15.477 16.619 1.00 8.08 ? 33 ASP E C 1 ATOM 232 O O . ASP A 1 33 ? 26.954 15.713 17.242 1.00 5.47 ? 33 ASP E O 1 ATOM 233 C CB . ASP A 1 33 ? 26.303 12.959 16.783 1.00 4.94 ? 33 ASP E CB 1 ATOM 234 C CG . ASP A 1 33 ? 25.692 12.973 18.175 1.00 7.15 ? 33 ASP E CG 1 ATOM 235 O OD1 . ASP A 1 33 ? 26.374 12.550 19.120 1.00 7.63 ? 33 ASP E OD1 1 ATOM 236 O OD2 . ASP A 1 33 ? 24.544 13.434 18.310 1.00 5.52 ? 33 ASP E OD2 1 ATOM 237 N N . THR A 1 34 ? 24.901 16.363 16.579 1.00 4.20 ? 34 THR E N 1 ATOM 238 C CA . THR A 1 34 ? 25.063 17.667 17.267 1.00 3.08 ? 34 THR E CA 1 ATOM 239 C C . THR A 1 34 ? 24.947 17.505 18.780 1.00 3.20 ? 34 THR E C 1 ATOM 240 O O . THR A 1 34 ? 25.080 18.566 19.421 1.00 6.92 ? 34 THR E O 1 ATOM 241 C CB . THR A 1 34 ? 24.078 18.774 16.705 1.00 3.55 ? 34 THR E CB 1 ATOM 242 O OG1 . THR A 1 34 ? 22.722 18.234 16.938 1.00 5.60 ? 34 THR E OG1 1 ATOM 243 C CG2 . THR A 1 34 ? 24.293 18.962 15.192 1.00 3.24 ? 34 THR E CG2 1 ATOM 244 N N . GLY A 1 35 ? 24.738 16.286 19.254 1.00 2.84 ? 35 GLY E N 1 ATOM 245 C CA . GLY A 1 35 ? 24.631 16.070 20.716 1.00 2.92 ? 35 GLY E CA 1 ATOM 246 C C . GLY A 1 35 ? 25.952 15.643 21.352 1.00 4.37 ? 35 GLY E C 1 ATOM 247 O O . GLY A 1 35 ? 25.948 15.444 22.597 1.00 7.55 ? 35 GLY E O 1 ATOM 248 N N . SER A 1 36 ? 27.044 15.535 20.607 1.00 4.45 ? 36 SER E N 1 ATOM 249 C CA . SER A 1 36 ? 28.332 15.146 21.266 1.00 6.06 ? 36 SER E CA 1 ATOM 250 C C . SER A 1 36 ? 29.462 15.844 20.537 1.00 6.42 ? 36 SER E C 1 ATOM 251 O O . SER A 1 36 ? 29.219 16.376 19.421 1.00 5.96 ? 36 SER E O 1 ATOM 252 C CB . SER A 1 36 ? 28.558 13.639 21.316 1.00 5.41 ? 36 SER E CB 1 ATOM 253 O OG . SER A 1 36 ? 28.699 13.119 19.974 1.00 6.75 ? 36 SER E OG 1 ATOM 254 N N . ALA A 1 37 ? 30.673 15.760 21.123 1.00 4.63 ? 37 ALA E N 1 ATOM 255 C CA . ALA A 1 37 ? 31.779 16.479 20.429 1.00 4.32 ? 37 ALA E CA 1 ATOM 256 C C . ALA A 1 37 ? 32.994 15.624 20.068 1.00 8.04 ? 37 ALA E C 1 ATOM 257 O O . ALA A 1 37 ? 34.111 16.160 19.917 1.00 8.15 ? 37 ALA E O 1 ATOM 258 C CB . ALA A 1 37 ? 32.180 17.616 21.420 1.00 7.35 ? 37 ALA E CB 1 ATOM 259 N N . ASP A 1 38 ? 32.785 14.330 19.882 1.00 5.77 ? 38 ASP E N 1 ATOM 260 C CA . ASP A 1 38 ? 33.850 13.401 19.515 1.00 7.33 ? 38 ASP E CA 1 ATOM 261 C C . ASP A 1 38 ? 33.715 12.898 18.054 1.00 8.09 ? 38 ASP E C 1 ATOM 262 O O . ASP A 1 38 ? 32.614 12.473 17.671 1.00 9.31 ? 38 ASP E O 1 ATOM 263 C CB . ASP A 1 38 ? 33.880 12.189 20.477 1.00 4.08 ? 38 ASP E CB 1 ATOM 264 C CG . ASP A 1 38 ? 34.422 12.552 21.852 1.00 11.02 ? 38 ASP E CG 1 ATOM 265 O OD1 . ASP A 1 38 ? 35.320 11.885 22.386 1.00 11.14 ? 38 ASP E OD1 1 ATOM 266 O OD2 . ASP A 1 38 ? 33.951 13.538 22.475 1.00 8.15 ? 38 ASP E OD2 1 ATOM 267 N N . LEU A 1 39 ? 34.866 12.927 17.357 1.00 6.73 ? 39 LEU E N 1 ATOM 268 C CA . LEU A 1 39 ? 34.872 12.370 15.989 1.00 6.73 ? 39 LEU E CA 1 ATOM 269 C C . LEU A 1 39 ? 35.577 11.031 16.239 1.00 7.97 ? 39 LEU E C 1 ATOM 270 O O . LEU A 1 39 ? 36.824 11.075 16.478 1.00 7.76 ? 39 LEU E O 1 ATOM 271 C CB . LEU A 1 39 ? 35.633 13.280 15.007 1.00 9.02 ? 39 LEU E CB 1 ATOM 272 C CG . LEU A 1 39 ? 35.467 13.037 13.504 1.00 10.78 ? 39 LEU E CG 1 ATOM 273 C CD1 . LEU A 1 39 ? 36.487 13.906 12.741 1.00 9.59 ? 39 LEU E CD1 1 ATOM 274 C CD2 . LEU A 1 39 ? 35.588 11.596 13.112 1.00 12.24 ? 39 LEU E CD2 1 ATOM 275 N N . TRP A 1 40 ? 34.845 9.929 16.240 1.00 6.39 ? 40 TRP E N 1 ATOM 276 C CA . TRP A 1 40 ? 35.514 8.607 16.492 1.00 3.50 ? 40 TRP E CA 1 ATOM 277 C C . TRP A 1 40 ? 35.124 7.695 15.333 1.00 7.16 ? 40 TRP E C 1 ATOM 278 O O . TRP A 1 40 ? 33.985 7.795 14.807 1.00 5.41 ? 40 TRP E O 1 ATOM 279 C CB . TRP A 1 40 ? 35.169 8.061 17.848 1.00 3.78 ? 40 TRP E CB 1 ATOM 280 C CG . TRP A 1 40 ? 33.798 7.493 18.064 1.00 4.55 ? 40 TRP E CG 1 ATOM 281 C CD1 . TRP A 1 40 ? 32.723 8.142 18.625 1.00 6.76 ? 40 TRP E CD1 1 ATOM 282 C CD2 . TRP A 1 40 ? 33.337 6.163 17.754 1.00 5.51 ? 40 TRP E CD2 1 ATOM 283 N NE1 . TRP A 1 40 ? 31.652 7.278 18.667 1.00 6.60 ? 40 TRP E NE1 1 ATOM 284 C CE2 . TRP A 1 40 ? 31.980 6.085 18.122 1.00 7.14 ? 40 TRP E CE2 1 ATOM 285 C CE3 . TRP A 1 40 ? 33.936 5.068 17.111 1.00 4.55 ? 40 TRP E CE3 1 ATOM 286 C CZ2 . TRP A 1 40 ? 31.245 4.920 17.927 1.00 9.97 ? 40 TRP E CZ2 1 ATOM 287 C CZ3 . TRP A 1 40 ? 33.205 3.921 16.920 1.00 7.50 ? 40 TRP E CZ3 1 ATOM 288 C CH2 . TRP A 1 40 ? 31.866 3.829 17.336 1.00 8.51 ? 40 TRP E CH2 1 ATOM 289 N N . VAL A 1 41 ? 36.001 6.770 14.968 1.00 5.60 ? 41 VAL E N 1 ATOM 290 C CA . VAL A 1 41 ? 35.743 5.865 13.836 1.00 6.32 ? 41 VAL E CA 1 ATOM 291 C C . VAL A 1 41 ? 36.143 4.444 14.162 1.00 7.15 ? 41 VAL E C 1 ATOM 292 O O . VAL A 1 41 ? 36.940 4.240 15.123 1.00 6.25 ? 41 VAL E O 1 ATOM 293 C CB . VAL A 1 41 ? 36.598 6.373 12.639 1.00 8.32 ? 41 VAL E CB 1 ATOM 294 C CG1 . VAL A 1 41 ? 36.136 7.761 12.131 1.00 7.58 ? 41 VAL E CG1 1 ATOM 295 C CG2 . VAL A 1 41 ? 38.105 6.437 12.904 1.00 5.63 ? 41 VAL E CG2 1 ATOM 296 N N . PHE A 1 42 ? 35.564 3.510 13.403 1.00 7.33 ? 42 PHE E N 1 ATOM 297 C CA . PHE A 1 42 ? 35.955 2.068 13.545 1.00 8.87 ? 42 PHE E CA 1 ATOM 298 C C . PHE A 1 42 ? 37.396 2.074 13.029 1.00 7.60 ? 42 PHE E C 1 ATOM 299 O O . PHE A 1 42 ? 37.669 2.817 12.054 1.00 7.99 ? 42 PHE E O 1 ATOM 300 C CB . PHE A 1 42 ? 35.065 1.179 12.683 1.00 8.30 ? 42 PHE E CB 1 ATOM 301 C CG . PHE A 1 42 ? 33.781 0.808 13.360 1.00 10.33 ? 42 PHE E CG 1 ATOM 302 C CD1 . PHE A 1 42 ? 32.855 1.779 13.813 1.00 10.22 ? 42 PHE E CD1 1 ATOM 303 C CD2 . PHE A 1 42 ? 33.505 -0.552 13.536 1.00 10.09 ? 42 PHE E CD2 1 ATOM 304 C CE1 . PHE A 1 42 ? 31.680 1.370 14.436 1.00 6.36 ? 42 PHE E CE1 1 ATOM 305 C CE2 . PHE A 1 42 ? 32.292 -0.971 14.150 1.00 7.95 ? 42 PHE E CE2 1 ATOM 306 C CZ . PHE A 1 42 ? 31.395 0.009 14.620 1.00 9.45 ? 42 PHE E CZ 1 ATOM 307 N N . SER A 1 43 ? 38.298 1.288 13.585 1.00 8.33 ? 43 SER E N 1 ATOM 308 C CA . SER A 1 43 ? 39.705 1.318 13.150 1.00 9.73 ? 43 SER E CA 1 ATOM 309 C C . SER A 1 43 ? 40.265 -0.127 13.109 1.00 9.01 ? 43 SER E C 1 ATOM 310 O O . SER A 1 43 ? 39.571 -1.055 13.555 1.00 10.95 ? 43 SER E O 1 ATOM 311 C CB . SER A 1 43 ? 40.584 2.150 14.098 1.00 9.22 ? 43 SER E CB 1 ATOM 312 O OG . SER A 1 43 ? 40.887 1.458 15.295 1.00 10.35 ? 43 SER E OG 1 ATOM 313 N N . THR A 1 44 ? 41.478 -0.183 12.613 1.00 9.35 ? 44 THR E N 1 ATOM 314 C CA . THR A 1 44 ? 42.132 -1.522 12.549 1.00 10.69 ? 44 THR E CA 1 ATOM 315 C C . THR A 1 44 ? 42.635 -1.981 13.917 1.00 12.23 ? 44 THR E C 1 ATOM 316 O O . THR A 1 44 ? 43.259 -3.055 14.035 1.00 11.65 ? 44 THR E O 1 ATOM 317 C CB . THR A 1 44 ? 43.313 -1.412 11.510 1.00 12.93 ? 44 THR E CB 1 ATOM 318 O OG1 . THR A 1 44 ? 44.142 -0.313 12.007 1.00 13.44 ? 44 THR E OG1 1 ATOM 319 C CG2 . THR A 1 44 ? 42.905 -1.150 10.065 1.00 16.25 ? 44 THR E CG2 1 ATOM 320 N N . GLU A 1 45 ? 42.389 -1.173 14.954 1.00 9.92 ? 45 GLU E N 1 ATOM 321 C CA . GLU A 1 45 ? 42.799 -1.505 16.328 1.00 9.02 ? 45 GLU E CA 1 ATOM 322 C C . GLU A 1 45 ? 41.727 -2.343 16.967 1.00 7.98 ? 45 GLU E C 1 ATOM 323 O O . GLU A 1 45 ? 41.905 -2.875 18.068 1.00 10.84 ? 45 GLU E O 1 ATOM 324 C CB . GLU A 1 45 ? 43.094 -0.304 17.238 1.00 7.95 ? 45 GLU E CB 1 ATOM 325 C CG . GLU A 1 45 ? 44.171 0.572 16.582 1.00 14.51 ? 45 GLU E CG 1 ATOM 326 C CD . GLU A 1 45 ? 44.492 1.818 17.380 1.00 18.55 ? 45 GLU E CD 1 ATOM 327 O OE1 . GLU A 1 45 ? 45.646 2.125 17.582 1.00 18.54 ? 45 GLU E OE1 1 ATOM 328 O OE2 . GLU A 1 45 ? 43.503 2.455 17.755 1.00 13.61 ? 45 GLU E OE2 1 ATOM 329 N N . LEU A 1 46 ? 40.571 -2.441 16.307 1.00 10.02 ? 46 LEU E N 1 ATOM 330 C CA . LEU A 1 46 ? 39.479 -3.270 16.801 1.00 10.88 ? 46 LEU E CA 1 ATOM 331 C C . LEU A 1 46 ? 39.770 -4.745 16.398 1.00 13.60 ? 46 LEU E C 1 ATOM 332 O O . LEU A 1 46 ? 40.476 -4.927 15.422 1.00 13.09 ? 46 LEU E O 1 ATOM 333 C CB . LEU A 1 46 ? 38.171 -2.881 16.060 1.00 8.01 ? 46 LEU E CB 1 ATOM 334 C CG . LEU A 1 46 ? 37.516 -1.588 16.540 1.00 9.04 ? 46 LEU E CG 1 ATOM 335 C CD1 . LEU A 1 46 ? 36.329 -1.316 15.587 1.00 14.03 ? 46 LEU E CD1 1 ATOM 336 C CD2 . LEU A 1 46 ? 37.083 -1.696 17.967 1.00 11.19 ? 46 LEU E CD2 1 ATOM 337 N N . PRO A 1 47 ? 39.154 -5.653 17.155 1.00 14.89 ? 47 PRO E N 1 ATOM 338 C CA . PRO A 1 47 ? 39.242 -7.098 16.879 1.00 16.45 ? 47 PRO E CA 1 ATOM 339 C C . PRO A 1 47 ? 38.788 -7.266 15.443 1.00 15.11 ? 47 PRO E C 1 ATOM 340 O O . PRO A 1 47 ? 37.831 -6.532 15.111 1.00 15.39 ? 47 PRO E O 1 ATOM 341 C CB . PRO A 1 47 ? 38.199 -7.731 17.800 1.00 16.43 ? 47 PRO E CB 1 ATOM 342 C CG . PRO A 1 47 ? 38.181 -6.761 18.966 1.00 16.87 ? 47 PRO E CG 1 ATOM 343 C CD . PRO A 1 47 ? 38.296 -5.386 18.317 1.00 15.91 ? 47 PRO E CD 1 ATOM 344 N N . ALA A 1 48 ? 39.394 -8.124 14.670 1.00 16.88 ? 48 ALA E N 1 ATOM 345 C CA . ALA A 1 48 ? 38.995 -8.283 13.258 1.00 18.95 ? 48 ALA E CA 1 ATOM 346 C C . ALA A 1 48 ? 37.503 -8.588 13.092 1.00 18.86 ? 48 ALA E C 1 ATOM 347 O O . ALA A 1 48 ? 36.907 -8.054 12.148 1.00 18.63 ? 48 ALA E O 1 ATOM 348 C CB . ALA A 1 48 ? 39.878 -9.287 12.549 1.00 26.00 ? 48 ALA E CB 1 ATOM 349 N N . SER A 1 49 ? 36.931 -9.358 13.994 1.00 19.17 ? 49 SER E N 1 ATOM 350 C CA . SER A 1 49 ? 35.509 -9.702 13.887 1.00 22.25 ? 49 SER E CA 1 ATOM 351 C C . SER A 1 49 ? 34.606 -8.478 14.075 1.00 23.05 ? 49 SER E C 1 ATOM 352 O O . SER A 1 49 ? 33.450 -8.597 13.642 1.00 26.04 ? 49 SER E O 1 ATOM 353 C CB . SER A 1 49 ? 35.114 -10.781 14.873 1.00 25.25 ? 49 SER E CB 1 ATOM 354 O OG . SER A 1 49 ? 35.246 -10.206 16.184 1.00 32.83 ? 49 SER E OG 1 ATOM 355 N N . GLN A 1 50 ? 35.113 -7.410 14.662 1.00 21.98 ? 50 GLN E N 1 ATOM 356 C CA . GLN A 1 50 ? 34.257 -6.210 14.823 1.00 18.99 ? 50 GLN E CA 1 ATOM 357 C C . GLN A 1 50 ? 34.466 -5.256 13.665 1.00 19.95 ? 50 GLN E C 1 ATOM 358 O O . GLN A 1 50 ? 33.707 -4.270 13.526 1.00 21.57 ? 50 GLN E O 1 ATOM 359 C CB . GLN A 1 50 ? 34.560 -5.563 16.150 1.00 17.87 ? 50 GLN E CB 1 ATOM 360 C CG . GLN A 1 50 ? 34.137 -6.444 17.296 1.00 17.75 ? 50 GLN E CG 1 ATOM 361 C CD . GLN A 1 50 ? 34.437 -5.897 18.640 1.00 20.50 ? 50 GLN E CD 1 ATOM 362 O OE1 . GLN A 1 50 ? 34.278 -6.653 19.600 1.00 31.34 ? 50 GLN E OE1 1 ATOM 363 N NE2 . GLN A 1 50 ? 34.884 -4.664 18.752 1.00 17.23 ? 50 GLN E NE2 1 ATOM 364 N N . GLN A 1 51 ? 35.503 -5.458 12.864 1.00 18.41 ? 51 GLN E N 1 ATOM 365 C CA . GLN A 1 51 ? 35.767 -4.557 11.721 1.00 18.92 ? 51 GLN E CA 1 ATOM 366 C C . GLN A 1 51 ? 34.848 -4.934 10.558 1.00 20.18 ? 51 GLN E C 1 ATOM 367 O O . GLN A 1 51 ? 34.717 -4.217 9.554 1.00 19.63 ? 51 GLN E O 1 ATOM 368 C CB . GLN A 1 51 ? 37.209 -4.647 11.236 1.00 17.30 ? 51 GLN E CB 1 ATOM 369 C CG . GLN A 1 51 ? 38.182 -4.361 12.382 1.00 18.99 ? 51 GLN E CG 1 ATOM 370 C CD . GLN A 1 51 ? 39.612 -4.458 11.888 1.00 19.30 ? 51 GLN E CD 1 ATOM 371 O OE1 . GLN A 1 51 ? 39.815 -4.327 10.676 1.00 21.20 ? 51 GLN E OE1 1 ATOM 372 N NE2 . GLN A 1 51 ? 40.589 -4.676 12.768 1.00 15.31 ? 51 GLN E NE2 1 ATOM 373 N N . SER A 1 52 ? 34.274 -6.108 10.744 1.00 21.31 ? 52 SER E N 1 ATOM 374 C CA . SER A 1 52 ? 33.396 -6.712 9.737 1.00 24.38 ? 52 SER E CA 1 ATOM 375 C C . SER A 1 52 ? 32.110 -5.954 9.453 1.00 20.29 ? 52 SER E C 1 ATOM 376 O O . SER A 1 52 ? 31.338 -5.740 10.387 1.00 23.75 ? 52 SER E O 1 ATOM 377 C CB . SER A 1 52 ? 33.023 -8.160 10.136 1.00 28.08 ? 52 SER E CB 1 ATOM 378 O OG . SER A 1 52 ? 33.982 -9.005 9.521 1.00 38.11 ? 52 SER E OG 1 ATOM 379 N N . GLY A 1 53 ? 32.017 -5.670 8.153 1.00 22.94 ? 53 GLY E N 1 ATOM 380 C CA . GLY A 1 53 ? 30.762 -4.950 7.757 1.00 21.13 ? 53 GLY E CA 1 ATOM 381 C C . GLY A 1 53 ? 31.003 -3.449 7.796 1.00 21.85 ? 53 GLY E C 1 ATOM 382 O O . GLY A 1 53 ? 29.993 -2.746 7.613 1.00 24.23 ? 53 GLY E O 1 ATOM 383 N N . HIS A 1 54 ? 32.264 -3.054 8.008 1.00 17.63 ? 54 HIS E N 1 ATOM 384 C CA . HIS A 1 54 ? 32.541 -1.620 8.092 1.00 15.69 ? 54 HIS E CA 1 ATOM 385 C C . HIS A 1 54 ? 33.718 -1.191 7.283 1.00 15.74 ? 54 HIS E C 1 ATOM 386 O O . HIS A 1 54 ? 34.575 -2.020 6.945 1.00 17.20 ? 54 HIS E O 1 ATOM 387 C CB . HIS A 1 54 ? 32.978 -1.247 9.590 1.00 11.30 ? 54 HIS E CB 1 ATOM 388 C CG . HIS A 1 54 ? 31.801 -1.431 10.498 1.00 13.25 ? 54 HIS E CG 1 ATOM 389 N ND1 . HIS A 1 54 ? 30.881 -0.440 10.794 1.00 12.14 ? 54 HIS E ND1 1 ATOM 390 C CD2 . HIS A 1 54 ? 31.367 -2.549 11.147 1.00 13.76 ? 54 HIS E CD2 1 ATOM 391 C CE1 . HIS A 1 54 ? 29.941 -0.939 11.596 1.00 12.78 ? 54 HIS E CE1 1 ATOM 392 N NE2 . HIS A 1 54 ? 30.228 -2.203 11.809 1.00 12.45 ? 54 HIS E NE2 1 ATOM 393 N N . SER A 1 55 ? 33.766 0.112 7.040 1.00 15.55 ? 55 SER E N 1 ATOM 394 C CA . SER A 1 55 ? 34.913 0.746 6.358 1.00 13.21 ? 55 SER E CA 1 ATOM 395 C C . SER A 1 55 ? 35.691 1.167 7.635 1.00 12.97 ? 55 SER E C 1 ATOM 396 O O . SER A 1 55 ? 35.036 1.734 8.525 1.00 11.83 ? 55 SER E O 1 ATOM 397 C CB . SER A 1 55 ? 34.634 1.927 5.459 1.00 15.57 ? 55 SER E CB 1 ATOM 398 O OG . SER A 1 55 ? 33.895 1.405 4.359 1.00 17.83 ? 55 SER E OG 1 ATOM 399 N N . VAL A 1 56 ? 36.990 0.866 7.664 1.00 12.66 ? 56 VAL E N 1 ATOM 400 C CA . VAL A 1 56 ? 37.774 1.194 8.847 1.00 12.96 ? 56 VAL E CA 1 ATOM 401 C C . VAL A 1 56 ? 38.972 2.087 8.516 1.00 13.49 ? 56 VAL E C 1 ATOM 402 O O . VAL A 1 56 ? 39.562 2.061 7.420 1.00 11.95 ? 56 VAL E O 1 ATOM 403 C CB . VAL A 1 56 ? 38.241 -0.085 9.623 1.00 17.58 ? 56 VAL E CB 1 ATOM 404 C CG1 . VAL A 1 56 ? 37.115 -1.035 10.026 1.00 20.26 ? 56 VAL E CG1 1 ATOM 405 C CG2 . VAL A 1 56 ? 39.337 -0.805 8.889 1.00 19.87 ? 56 VAL E CG2 1 ATOM 406 N N . TYR A 1 57 ? 39.298 2.858 9.564 1.00 11.62 ? 57 TYR E N 1 ATOM 407 C CA . TYR A 1 57 ? 40.459 3.764 9.468 1.00 13.25 ? 57 TYR E CA 1 ATOM 408 C C . TYR A 1 57 ? 41.702 2.992 9.956 1.00 11.72 ? 57 TYR E C 1 ATOM 409 O O . TYR A 1 57 ? 41.624 2.274 10.961 1.00 12.17 ? 57 TYR E O 1 ATOM 410 C CB . TYR A 1 57 ? 40.198 4.945 10.391 1.00 11.35 ? 57 TYR E CB 1 ATOM 411 C CG . TYR A 1 57 ? 41.345 5.914 10.579 1.00 11.18 ? 57 TYR E CG 1 ATOM 412 C CD1 . TYR A 1 57 ? 41.774 6.208 11.887 1.00 7.33 ? 57 TYR E CD1 1 ATOM 413 C CD2 . TYR A 1 57 ? 41.941 6.555 9.478 1.00 10.96 ? 57 TYR E CD2 1 ATOM 414 C CE1 . TYR A 1 57 ? 42.816 7.131 12.082 1.00 10.91 ? 57 TYR E CE1 1 ATOM 415 C CE2 . TYR A 1 57 ? 42.976 7.458 9.680 1.00 9.50 ? 57 TYR E CE2 1 ATOM 416 C CZ . TYR A 1 57 ? 43.404 7.734 10.976 1.00 11.42 ? 57 TYR E CZ 1 ATOM 417 O OH . TYR A 1 57 ? 44.433 8.639 11.187 1.00 17.07 ? 57 TYR E OH 1 ATOM 418 N N . ASN A 1 58 ? 42.763 3.243 9.171 1.00 13.72 ? 58 ASN E N 1 ATOM 419 C CA . ASN A 1 58 ? 44.063 2.575 9.534 1.00 14.61 ? 58 ASN E CA 1 ATOM 420 C C . ASN A 1 58 ? 44.999 3.711 9.927 1.00 11.65 ? 58 ASN E C 1 ATOM 421 O O . ASN A 1 58 ? 45.545 4.356 9.021 1.00 14.39 ? 58 ASN E O 1 ATOM 422 C CB . ASN A 1 58 ? 44.561 1.662 8.435 1.00 18.99 ? 58 ASN E CB 1 ATOM 423 C CG . ASN A 1 58 ? 45.964 1.122 8.707 1.00 23.62 ? 58 ASN E CG 1 ATOM 424 O OD1 . ASN A 1 58 ? 46.565 1.206 9.789 1.00 27.55 ? 58 ASN E OD1 1 ATOM 425 N ND2 . ASN A 1 58 ? 46.477 0.527 7.634 1.00 30.39 ? 58 ASN E ND2 1 ATOM 426 N N . PRO A 1 59 ? 45.138 3.910 11.224 1.00 14.95 ? 59 PRO E N 1 ATOM 427 C CA . PRO A 1 59 ? 45.925 5.012 11.756 1.00 17.14 ? 59 PRO E CA 1 ATOM 428 C C . PRO A 1 59 ? 47.377 5.075 11.322 1.00 22.72 ? 59 PRO E C 1 ATOM 429 O O . PRO A 1 59 ? 47.965 6.157 11.153 1.00 22.15 ? 59 PRO E O 1 ATOM 430 C CB . PRO A 1 59 ? 45.813 4.846 13.275 1.00 17.23 ? 59 PRO E CB 1 ATOM 431 C CG . PRO A 1 59 ? 44.608 3.985 13.535 1.00 18.33 ? 59 PRO E CG 1 ATOM 432 C CD . PRO A 1 59 ? 44.438 3.152 12.281 1.00 16.12 ? 59 PRO E CD 1 ATOM 433 N N . SER A 1 60 ? 47.920 3.879 11.171 1.00 24.83 ? 60 SER E N 1 ATOM 434 C CA . SER A 1 60 ? 49.328 3.652 10.811 1.00 29.23 ? 60 SER E CA 1 ATOM 435 C C . SER A 1 60 ? 49.761 4.220 9.473 1.00 28.71 ? 60 SER E C 1 ATOM 436 O O . SER A 1 60 ? 50.931 4.640 9.269 1.00 31.04 ? 60 SER E O 1 ATOM 437 C CB . SER A 1 60 ? 49.550 2.115 10.727 1.00 30.03 ? 60 SER E CB 1 ATOM 438 O OG . SER A 1 60 ? 49.585 1.745 12.109 1.00 41.32 ? 60 SER E OG 1 ATOM 439 N N . ALA A 1 61 ? 48.764 4.162 8.595 1.00 26.49 ? 61 ALA E N 1 ATOM 440 C CA . ALA A 1 61 ? 48.973 4.623 7.252 1.00 24.40 ? 61 ALA E CA 1 ATOM 441 C C . ALA A 1 61 ? 49.265 6.116 7.167 1.00 25.70 ? 61 ALA E C 1 ATOM 442 O O . ALA A 1 61 ? 50.227 6.523 6.475 1.00 24.72 ? 61 ALA E O 1 ATOM 443 C CB . ALA A 1 61 ? 47.683 4.379 6.427 1.00 27.19 ? 61 ALA E CB 1 ATOM 444 N N . THR A 1 62 ? 48.395 6.899 7.818 1.00 20.25 ? 62 THR E N 1 ATOM 445 C CA . THR A 1 62 ? 48.485 8.349 7.720 1.00 17.75 ? 62 THR E CA 1 ATOM 446 C C . THR A 1 62 ? 48.327 9.242 8.924 1.00 15.22 ? 62 THR E C 1 ATOM 447 O O . THR A 1 62 ? 48.569 10.461 8.756 1.00 14.36 ? 62 THR E O 1 ATOM 448 C CB . THR A 1 62 ? 47.256 8.754 6.746 1.00 15.61 ? 62 THR E CB 1 ATOM 449 O OG1 . THR A 1 62 ? 46.029 8.301 7.410 1.00 16.48 ? 62 THR E OG1 1 ATOM 450 C CG2 . THR A 1 62 ? 47.327 8.036 5.405 1.00 20.32 ? 62 THR E CG2 1 ATOM 451 N N . GLY A 1 63 ? 47.920 8.657 10.042 1.00 16.66 ? 63 GLY E N 1 ATOM 452 C CA . GLY A 1 63 ? 47.702 9.532 11.229 1.00 15.95 ? 63 GLY E CA 1 ATOM 453 C C . GLY A 1 63 ? 49.006 9.742 11.990 1.00 17.69 ? 63 GLY E C 1 ATOM 454 O O . GLY A 1 63 ? 49.939 8.934 11.809 1.00 18.41 ? 63 GLY E O 1 ATOM 455 N N . LYS A 1 64 ? 48.997 10.761 12.819 1.00 14.83 ? 64 LYS E N 1 ATOM 456 C CA . LYS A 1 64 ? 50.167 11.069 13.692 1.00 12.89 ? 64 LYS E CA 1 ATOM 457 C C . LYS A 1 64 ? 49.596 10.750 15.076 1.00 11.14 ? 64 LYS E C 1 ATOM 458 O O . LYS A 1 64 ? 48.653 11.447 15.477 1.00 13.00 ? 64 LYS E O 1 ATOM 459 C CB . LYS A 1 64 ? 50.634 12.502 13.642 1.00 15.24 ? 64 LYS E CB 1 ATOM 460 C CG . LYS A 1 64 ? 50.876 13.059 12.245 1.00 29.85 ? 64 LYS E CG 1 ATOM 461 C CD . LYS A 1 64 ? 52.292 13.262 11.781 1.00 41.30 ? 64 LYS E CD 1 ATOM 462 C CE . LYS A 1 64 ? 53.186 12.049 11.997 1.00 47.60 ? 64 LYS E CE 1 ATOM 463 N NZ . LYS A 1 64 ? 54.028 12.247 13.224 1.00 53.89 ? 64 LYS E NZ 1 ATOM 464 N N . GLU A 1 65 ? 50.112 9.764 15.769 1.00 11.74 ? 65 GLU E N 1 ATOM 465 C CA . GLU A 1 65 ? 49.568 9.434 17.103 1.00 9.98 ? 65 GLU E CA 1 ATOM 466 C C . GLU A 1 65 ? 49.840 10.478 18.168 1.00 15.46 ? 65 GLU E C 1 ATOM 467 O O . GLU A 1 65 ? 50.976 11.065 18.167 1.00 17.92 ? 65 GLU E O 1 ATOM 468 C CB . GLU A 1 65 ? 50.276 8.155 17.596 1.00 14.44 ? 65 GLU E CB 1 ATOM 469 C CG . GLU A 1 65 ? 49.717 7.673 18.938 1.00 24.07 ? 65 GLU E CG 1 ATOM 470 C CD . GLU A 1 65 ? 50.119 6.339 19.457 1.00 29.43 ? 65 GLU E CD 1 ATOM 471 O OE1 . GLU A 1 65 ? 49.797 5.990 20.580 1.00 37.01 ? 65 GLU E OE1 1 ATOM 472 O OE2 . GLU A 1 65 ? 50.796 5.642 18.678 1.00 33.99 ? 65 GLU E OE2 1 ATOM 473 N N . LEU A 1 66 ? 48.910 10.713 19.088 1.00 11.52 ? 66 LEU E N 1 ATOM 474 C CA . LEU A 1 66 ? 49.154 11.660 20.200 1.00 12.23 ? 66 LEU E CA 1 ATOM 475 C C . LEU A 1 66 ? 49.536 10.714 21.338 1.00 13.84 ? 66 LEU E C 1 ATOM 476 O O . LEU A 1 66 ? 48.620 10.121 21.921 1.00 10.44 ? 66 LEU E O 1 ATOM 477 C CB . LEU A 1 66 ? 47.881 12.431 20.515 1.00 15.79 ? 66 LEU E CB 1 ATOM 478 C CG . LEU A 1 66 ? 47.435 13.529 19.558 1.00 21.72 ? 66 LEU E CG 1 ATOM 479 C CD1 . LEU A 1 66 ? 46.331 14.347 20.259 1.00 19.07 ? 66 LEU E CD1 1 ATOM 480 C CD2 . LEU A 1 66 ? 48.628 14.389 19.200 1.00 24.44 ? 66 LEU E CD2 1 ATOM 481 N N . SER A 1 67 ? 50.833 10.574 21.613 1.00 12.06 ? 67 SER E N 1 ATOM 482 C CA . SER A 1 67 ? 51.244 9.644 22.670 1.00 13.62 ? 67 SER E CA 1 ATOM 483 C C . SER A 1 67 ? 50.578 9.988 24.007 1.00 10.58 ? 67 SER E C 1 ATOM 484 O O . SER A 1 67 ? 50.583 11.132 24.460 1.00 9.55 ? 67 SER E O 1 ATOM 485 C CB . SER A 1 67 ? 52.789 9.616 22.855 1.00 16.12 ? 67 SER E CB 1 ATOM 486 O OG . SER A 1 67 ? 53.110 8.640 23.869 1.00 22.70 ? 67 SER E OG 1 ATOM 487 N N . GLY A 1 68 ? 50.035 8.944 24.602 1.00 11.07 ? 68 GLY E N 1 ATOM 488 C CA . GLY A 1 68 ? 49.402 9.018 25.902 1.00 10.60 ? 68 GLY E CA 1 ATOM 489 C C . GLY A 1 68 ? 48.005 9.592 26.008 1.00 11.65 ? 68 GLY E C 1 ATOM 490 O O . GLY A 1 68 ? 47.505 9.770 27.146 1.00 12.56 ? 68 GLY E O 1 ATOM 491 N N . TYR A 1 69 ? 47.405 9.832 24.873 1.00 12.09 ? 69 TYR E N 1 ATOM 492 C CA . TYR A 1 69 ? 46.039 10.414 24.844 1.00 10.64 ? 69 TYR E CA 1 ATOM 493 C C . TYR A 1 69 ? 45.076 9.255 24.622 1.00 9.94 ? 69 TYR E C 1 ATOM 494 O O . TYR A 1 69 ? 45.387 8.325 23.876 1.00 10.94 ? 69 TYR E O 1 ATOM 495 C CB . TYR A 1 69 ? 45.863 11.452 23.701 1.00 8.49 ? 69 TYR E CB 1 ATOM 496 C CG . TYR A 1 69 ? 46.490 12.779 24.059 1.00 11.44 ? 69 TYR E CG 1 ATOM 497 C CD1 . TYR A 1 69 ? 47.871 12.923 24.258 1.00 11.56 ? 69 TYR E CD1 1 ATOM 498 C CD2 . TYR A 1 69 ? 45.676 13.907 24.208 1.00 14.01 ? 69 TYR E CD2 1 ATOM 499 C CE1 . TYR A 1 69 ? 48.417 14.158 24.604 1.00 12.80 ? 69 TYR E CE1 1 ATOM 500 C CE2 . TYR A 1 69 ? 46.209 15.150 24.558 1.00 16.01 ? 69 TYR E CE2 1 ATOM 501 C CZ . TYR A 1 69 ? 47.589 15.257 24.747 1.00 16.48 ? 69 TYR E CZ 1 ATOM 502 O OH . TYR A 1 69 ? 48.039 16.496 25.088 1.00 22.20 ? 69 TYR E OH 1 ATOM 503 N N . THR A 1 70 ? 43.932 9.402 25.268 1.00 9.33 ? 70 THR E N 1 ATOM 504 C CA . THR A 1 70 ? 42.862 8.386 25.156 1.00 9.73 ? 70 THR E CA 1 ATOM 505 C C . THR A 1 70 ? 41.523 9.136 25.109 1.00 8.51 ? 70 THR E C 1 ATOM 506 O O . THR A 1 70 ? 41.470 10.354 25.331 1.00 9.05 ? 70 THR E O 1 ATOM 507 C CB . THR A 1 70 ? 42.923 7.472 26.457 1.00 12.05 ? 70 THR E CB 1 ATOM 508 O OG1 . THR A 1 70 ? 42.677 8.347 27.615 1.00 14.03 ? 70 THR E OG1 1 ATOM 509 C CG2 . THR A 1 70 ? 44.267 6.726 26.514 1.00 14.09 ? 70 THR E CG2 1 ATOM 510 N N . TRP A 1 71 ? 40.496 8.385 24.815 1.00 8.16 ? 71 TRP E N 1 ATOM 511 C CA . TRP A 1 71 ? 39.141 8.961 24.775 1.00 9.08 ? 71 TRP E CA 1 ATOM 512 C C . TRP A 1 71 ? 38.223 7.811 25.232 1.00 8.99 ? 71 TRP E C 1 ATOM 513 O O . TRP A 1 71 ? 38.537 6.630 25.077 1.00 6.98 ? 71 TRP E O 1 ATOM 514 C CB . TRP A 1 71 ? 38.780 9.490 23.414 1.00 3.35 ? 71 TRP E CB 1 ATOM 515 C CG . TRP A 1 71 ? 38.760 8.447 22.345 1.00 5.20 ? 71 TRP E CG 1 ATOM 516 C CD1 . TRP A 1 71 ? 39.836 7.954 21.647 1.00 6.00 ? 71 TRP E CD1 1 ATOM 517 C CD2 . TRP A 1 71 ? 37.615 7.720 21.848 1.00 5.85 ? 71 TRP E CD2 1 ATOM 518 N NE1 . TRP A 1 71 ? 39.426 7.009 20.735 1.00 9.64 ? 71 TRP E NE1 1 ATOM 519 C CE2 . TRP A 1 71 ? 38.062 6.847 20.867 1.00 7.41 ? 71 TRP E CE2 1 ATOM 520 C CE3 . TRP A 1 71 ? 36.252 7.751 22.236 1.00 8.06 ? 71 TRP E CE3 1 ATOM 521 C CZ2 . TRP A 1 71 ? 37.218 5.999 20.158 1.00 6.15 ? 71 TRP E CZ2 1 ATOM 522 C CZ3 . TRP A 1 71 ? 35.420 6.894 21.494 1.00 6.04 ? 71 TRP E CZ3 1 ATOM 523 C CH2 . TRP A 1 71 ? 35.877 6.023 20.504 1.00 5.32 ? 71 TRP E CH2 1 ATOM 524 N N . SER A 1 72 ? 37.094 8.232 25.735 1.00 8.79 ? 72 SER E N 1 ATOM 525 C CA . SER A 1 72 ? 36.086 7.260 26.225 1.00 8.47 ? 72 SER E CA 1 ATOM 526 C C . SER A 1 72 ? 34.770 8.010 26.272 1.00 10.78 ? 72 SER E C 1 ATOM 527 O O . SER A 1 72 ? 34.742 9.056 26.965 1.00 7.86 ? 72 SER E O 1 ATOM 528 C CB . SER A 1 72 ? 36.524 6.772 27.602 1.00 13.54 ? 72 SER E CB 1 ATOM 529 O OG . SER A 1 72 ? 35.528 5.864 27.988 1.00 14.56 ? 72 SER E OG 1 ATOM 530 N N . ILE A 1 73 ? 33.785 7.458 25.545 1.00 10.56 ? 73 ILE E N 1 ATOM 531 C CA . ILE A 1 73 ? 32.486 8.178 25.534 1.00 10.17 ? 73 ILE E CA 1 ATOM 532 C C . ILE A 1 73 ? 31.325 7.223 25.798 1.00 10.28 ? 73 ILE E C 1 ATOM 533 O O . ILE A 1 73 ? 31.406 6.057 25.425 1.00 10.10 ? 73 ILE E O 1 ATOM 534 C CB . ILE A 1 73 ? 32.279 8.946 24.173 1.00 9.11 ? 73 ILE E CB 1 ATOM 535 C CG1 . ILE A 1 73 ? 31.037 9.874 24.364 1.00 7.77 ? 73 ILE E CG1 1 ATOM 536 C CG2 . ILE A 1 73 ? 32.160 7.972 22.989 1.00 9.36 ? 73 ILE E CG2 1 ATOM 537 C CD1 . ILE A 1 73 ? 31.142 11.053 23.326 1.00 9.35 ? 73 ILE E CD1 1 ATOM 538 N N . SER A 1 74 ? 30.326 7.811 26.471 1.00 11.82 ? 74 SER E N 1 ATOM 539 C CA . SER A 1 74 ? 29.094 7.077 26.816 1.00 13.43 ? 74 SER E CA 1 ATOM 540 C C . SER A 1 74 ? 27.910 7.928 26.322 1.00 10.86 ? 74 SER E C 1 ATOM 541 O O . SER A 1 74 ? 27.894 9.143 26.607 1.00 14.31 ? 74 SER E O 1 ATOM 542 C CB . SER A 1 74 ? 28.957 6.899 28.345 1.00 18.43 ? 74 SER E CB 1 ATOM 543 O OG . SER A 1 74 ? 29.917 5.882 28.628 1.00 30.17 ? 74 SER E OG 1 ATOM 544 N N . TYR A 1 75 ? 26.977 7.306 25.653 1.00 9.44 ? 75 TYR E N 1 ATOM 545 C CA . TYR A 1 75 ? 25.804 8.003 25.116 1.00 6.60 ? 75 TYR E CA 1 ATOM 546 C C . TYR A 1 75 ? 24.602 7.699 25.984 1.00 10.04 ? 75 TYR E C 1 ATOM 547 O O . TYR A 1 75 ? 24.559 6.771 26.808 1.00 9.91 ? 75 TYR E O 1 ATOM 548 C CB . TYR A 1 75 ? 25.548 7.532 23.656 1.00 9.28 ? 75 TYR E CB 1 ATOM 549 C CG . TYR A 1 75 ? 26.739 7.853 22.762 1.00 10.27 ? 75 TYR E CG 1 ATOM 550 C CD1 . TYR A 1 75 ? 27.691 6.881 22.412 1.00 11.74 ? 75 TYR E CD1 1 ATOM 551 C CD2 . TYR A 1 75 ? 26.930 9.162 22.341 1.00 11.62 ? 75 TYR E CD2 1 ATOM 552 C CE1 . TYR A 1 75 ? 28.775 7.219 21.603 1.00 7.05 ? 75 TYR E CE1 1 ATOM 553 C CE2 . TYR A 1 75 ? 28.022 9.529 21.525 1.00 7.90 ? 75 TYR E CE2 1 ATOM 554 C CZ . TYR A 1 75 ? 28.932 8.530 21.167 1.00 9.88 ? 75 TYR E CZ 1 ATOM 555 O OH . TYR A 1 75 ? 29.960 8.929 20.353 1.00 12.28 ? 75 TYR E OH 1 ATOM 556 N N . GLY A 1 76 ? 23.577 8.503 25.702 1.00 11.03 ? 76 GLY E N 1 ATOM 557 C CA . GLY A 1 76 ? 22.270 8.446 26.359 1.00 10.45 ? 76 GLY E CA 1 ATOM 558 C C . GLY A 1 76 ? 21.545 7.127 26.168 1.00 11.88 ? 76 GLY E C 1 ATOM 559 O O . GLY A 1 76 ? 20.727 6.812 27.078 1.00 12.74 ? 76 GLY E O 1 ATOM 560 N N . ASP A 1 77 ? 21.829 6.403 25.092 1.00 9.37 ? 77 ASP E N 1 ATOM 561 C CA . ASP A 1 77 ? 21.127 5.121 24.920 1.00 9.46 ? 77 ASP E CA 1 ATOM 562 C C . ASP A 1 77 ? 21.919 3.984 25.607 1.00 11.16 ? 77 ASP E C 1 ATOM 563 O O . ASP A 1 77 ? 21.572 2.810 25.380 1.00 12.57 ? 77 ASP E O 1 ATOM 564 C CB . ASP A 1 77 ? 20.826 4.909 23.443 1.00 9.70 ? 77 ASP E CB 1 ATOM 565 C CG . ASP A 1 77 ? 22.105 4.990 22.609 1.00 11.40 ? 77 ASP E CG 1 ATOM 566 O OD1 . ASP A 1 77 ? 21.977 5.213 21.389 1.00 11.52 ? 77 ASP E OD1 1 ATOM 567 O OD2 . ASP A 1 77 ? 23.225 4.842 23.209 1.00 13.45 ? 77 ASP E OD2 1 ATOM 568 N N . GLY A 1 78 ? 22.949 4.364 26.367 1.00 13.94 ? 78 GLY E N 1 ATOM 569 C CA . GLY A 1 78 ? 23.764 3.316 27.059 1.00 12.68 ? 78 GLY E CA 1 ATOM 570 C C . GLY A 1 78 ? 24.900 2.780 26.203 1.00 15.12 ? 78 GLY E C 1 ATOM 571 O O . GLY A 1 78 ? 25.633 1.891 26.729 1.00 17.93 ? 78 GLY E O 1 ATOM 572 N N . SER A 1 79 ? 25.116 3.212 24.988 1.00 10.06 ? 79 SER E N 1 ATOM 573 C CA . SER A 1 79 ? 26.217 2.670 24.161 1.00 9.83 ? 79 SER E CA 1 ATOM 574 C C . SER A 1 79 ? 27.492 3.427 24.562 1.00 10.57 ? 79 SER E C 1 ATOM 575 O O . SER A 1 79 ? 27.417 4.482 25.205 1.00 9.19 ? 79 SER E O 1 ATOM 576 C CB . SER A 1 79 ? 25.828 2.764 22.695 1.00 9.69 ? 79 SER E CB 1 ATOM 577 O OG . SER A 1 79 ? 25.682 4.153 22.335 1.00 8.24 ? 79 SER E OG 1 ATOM 578 N N . SER A 1 80 ? 28.677 2.922 24.217 1.00 9.28 ? 80 SER E N 1 ATOM 579 C CA . SER A 1 80 ? 29.932 3.595 24.579 1.00 9.13 ? 80 SER E CA 1 ATOM 580 C C . SER A 1 80 ? 31.025 3.085 23.626 1.00 12.71 ? 80 SER E C 1 ATOM 581 O O . SER A 1 80 ? 30.848 2.066 22.893 1.00 12.57 ? 80 SER E O 1 ATOM 582 C CB . SER A 1 80 ? 30.351 3.243 25.995 1.00 15.59 ? 80 SER E CB 1 ATOM 583 O OG . SER A 1 80 ? 30.474 1.821 26.068 1.00 18.13 ? 80 SER E OG 1 ATOM 584 N N . ALA A 1 81 ? 32.123 3.823 23.670 1.00 9.77 ? 81 ALA E N 1 ATOM 585 C CA . ALA A 1 81 ? 33.282 3.452 22.816 1.00 9.04 ? 81 ALA E CA 1 ATOM 586 C C . ALA A 1 81 ? 34.512 4.126 23.455 1.00 7.41 ? 81 ALA E C 1 ATOM 587 O O . ALA A 1 81 ? 34.336 5.061 24.254 1.00 7.42 ? 81 ALA E O 1 ATOM 588 C CB . ALA A 1 81 ? 33.073 3.791 21.337 1.00 10.58 ? 81 ALA E CB 1 ATOM 589 N N . SER A 1 82 ? 35.674 3.551 23.107 1.00 9.02 ? 82 SER E N 1 ATOM 590 C CA . SER A 1 82 ? 36.913 4.188 23.700 1.00 8.59 ? 82 SER E CA 1 ATOM 591 C C . SER A 1 82 ? 38.103 3.831 22.826 1.00 5.74 ? 82 SER E C 1 ATOM 592 O O . SER A 1 82 ? 37.993 2.875 22.023 1.00 9.81 ? 82 SER E O 1 ATOM 593 C CB . SER A 1 82 ? 37.031 3.778 25.139 1.00 6.63 ? 82 SER E CB 1 ATOM 594 O OG . SER A 1 82 ? 37.202 2.366 25.194 1.00 10.60 ? 82 SER E OG 1 ATOM 595 N N . GLY A 1 83 ? 39.202 4.570 22.964 1.00 6.51 ? 83 GLY E N 1 ATOM 596 C CA . GLY A 1 83 ? 40.382 4.249 22.133 1.00 4.29 ? 83 GLY E CA 1 ATOM 597 C C . GLY A 1 83 ? 41.478 5.302 22.352 1.00 6.85 ? 83 GLY E C 1 ATOM 598 O O . GLY A 1 83 ? 41.579 5.872 23.445 1.00 8.46 ? 83 GLY E O 1 ATOM 599 N N . ASN A 1 84 ? 42.255 5.415 21.275 1.00 6.82 ? 84 ASN E N 1 ATOM 600 C CA . ASN A 1 84 ? 43.417 6.319 21.235 1.00 8.33 ? 84 ASN E CA 1 ATOM 601 C C . ASN A 1 84 ? 43.217 7.372 20.184 1.00 8.63 ? 84 ASN E C 1 ATOM 602 O O . ASN A 1 84 ? 42.142 7.433 19.546 1.00 8.23 ? 84 ASN E O 1 ATOM 603 C CB . ASN A 1 84 ? 44.745 5.532 21.248 1.00 10.30 ? 84 ASN E CB 1 ATOM 604 C CG . ASN A 1 84 ? 44.863 4.620 20.045 1.00 12.53 ? 84 ASN E CG 1 ATOM 605 O OD1 . ASN A 1 84 ? 43.958 4.476 19.210 1.00 11.03 ? 84 ASN E OD1 1 ATOM 606 N ND2 . ASN A 1 84 ? 46.023 3.972 19.962 1.00 15.51 ? 84 ASN E ND2 1 ATOM 607 N N . VAL A 1 85 ? 44.208 8.276 20.065 1.00 7.24 ? 85 VAL E N 1 ATOM 608 C CA . VAL A 1 85 ? 44.027 9.434 19.202 1.00 6.61 ? 85 VAL E CA 1 ATOM 609 C C . VAL A 1 85 ? 45.158 9.733 18.262 1.00 8.30 ? 85 VAL E C 1 ATOM 610 O O . VAL A 1 85 ? 46.346 9.654 18.588 1.00 8.93 ? 85 VAL E O 1 ATOM 611 C CB . VAL A 1 85 ? 43.816 10.648 20.161 1.00 9.03 ? 85 VAL E CB 1 ATOM 612 C CG1 . VAL A 1 85 ? 43.452 11.890 19.342 1.00 11.25 ? 85 VAL E CG1 1 ATOM 613 C CG2 . VAL A 1 85 ? 42.818 10.395 21.292 1.00 11.92 ? 85 VAL E CG2 1 ATOM 614 N N . PHE A 1 86 ? 44.728 10.097 17.065 1.00 7.35 ? 86 PHE E N 1 ATOM 615 C CA . PHE A 1 86 ? 45.641 10.448 15.983 1.00 7.67 ? 86 PHE E CA 1 ATOM 616 C C . PHE A 1 86 ? 45.157 11.758 15.347 1.00 9.33 ? 86 PHE E C 1 ATOM 617 O O . PHE A 1 86 ? 43.932 12.091 15.441 1.00 12.86 ? 86 PHE E O 1 ATOM 618 C CB . PHE A 1 86 ? 45.622 9.352 14.896 1.00 9.28 ? 86 PHE E CB 1 ATOM 619 C CG . PHE A 1 86 ? 46.096 8.026 15.406 1.00 12.52 ? 86 PHE E CG 1 ATOM 620 C CD1 . PHE A 1 86 ? 45.203 7.180 16.064 1.00 14.92 ? 86 PHE E CD1 1 ATOM 621 C CD2 . PHE A 1 86 ? 47.426 7.683 15.237 1.00 13.68 ? 86 PHE E CD2 1 ATOM 622 C CE1 . PHE A 1 86 ? 45.632 5.966 16.603 1.00 14.51 ? 86 PHE E CE1 1 ATOM 623 C CE2 . PHE A 1 86 ? 47.874 6.429 15.736 1.00 15.64 ? 86 PHE E CE2 1 ATOM 624 C CZ . PHE A 1 86 ? 46.968 5.594 16.396 1.00 11.91 ? 86 PHE E CZ 1 ATOM 625 N N . THR A 1 87 ? 46.086 12.439 14.712 1.00 8.07 ? 87 THR E N 1 ATOM 626 C CA . THR A 1 87 ? 45.678 13.663 13.966 1.00 9.30 ? 87 THR E CA 1 ATOM 627 C C . THR A 1 87 ? 45.796 13.238 12.492 1.00 10.30 ? 87 THR E C 1 ATOM 628 O O . THR A 1 87 ? 46.683 12.439 12.142 1.00 10.31 ? 87 THR E O 1 ATOM 629 C CB . THR A 1 87 ? 46.470 14.956 14.331 1.00 9.08 ? 87 THR E CB 1 ATOM 630 O OG1 . THR A 1 87 ? 47.828 14.643 13.994 1.00 11.87 ? 87 THR E OG1 1 ATOM 631 C CG2 . THR A 1 87 ? 46.192 15.345 15.779 1.00 10.97 ? 87 THR E CG2 1 ATOM 632 N N . ASP A 1 88 ? 44.835 13.718 11.705 1.00 7.04 ? 88 ASP E N 1 ATOM 633 C CA . ASP A 1 88 ? 44.842 13.366 10.253 1.00 7.15 ? 88 ASP E CA 1 ATOM 634 C C . ASP A 1 88 ? 44.079 14.461 9.501 1.00 7.69 ? 88 ASP E C 1 ATOM 635 O O . ASP A 1 88 ? 43.578 15.434 10.072 1.00 10.44 ? 88 ASP E O 1 ATOM 636 C CB . ASP A 1 88 ? 44.270 11.963 10.063 1.00 9.48 ? 88 ASP E CB 1 ATOM 637 C CG . ASP A 1 88 ? 44.822 11.165 8.894 1.00 13.76 ? 88 ASP E CG 1 ATOM 638 O OD1 . ASP A 1 88 ? 44.867 9.914 8.943 1.00 15.19 ? 88 ASP E OD1 1 ATOM 639 O OD2 . ASP A 1 88 ? 45.247 11.817 7.928 1.00 11.63 ? 88 ASP E OD2 1 ATOM 640 N N . SER A 1 89 ? 43.964 14.282 8.186 1.00 10.28 ? 89 SER E N 1 ATOM 641 C CA . SER A 1 89 ? 43.227 15.171 7.292 1.00 10.46 ? 89 SER E CA 1 ATOM 642 C C . SER A 1 89 ? 41.780 14.609 7.263 1.00 10.13 ? 89 SER E C 1 ATOM 643 O O . SER A 1 89 ? 41.699 13.374 6.988 1.00 9.78 ? 89 SER E O 1 ATOM 644 C CB . SER A 1 89 ? 43.644 15.170 5.803 1.00 14.87 ? 89 SER E CB 1 ATOM 645 O OG . SER A 1 89 ? 44.710 16.121 5.840 1.00 32.30 ? 89 SER E OG 1 ATOM 646 N N . VAL A 1 90 ? 40.848 15.504 7.536 1.00 7.35 ? 90 VAL E N 1 ATOM 647 C CA . VAL A 1 90 ? 39.442 14.999 7.500 1.00 8.44 ? 90 VAL E CA 1 ATOM 648 C C . VAL A 1 90 ? 38.669 15.898 6.519 1.00 10.14 ? 90 VAL E C 1 ATOM 649 O O . VAL A 1 90 ? 38.736 17.143 6.715 1.00 9.75 ? 90 VAL E O 1 ATOM 650 C CB . VAL A 1 90 ? 38.869 15.035 8.922 1.00 8.55 ? 90 VAL E CB 1 ATOM 651 C CG1 . VAL A 1 90 ? 37.349 14.740 8.813 1.00 7.65 ? 90 VAL E CG1 1 ATOM 652 C CG2 . VAL A 1 90 ? 39.603 14.152 9.920 1.00 5.93 ? 90 VAL E CG2 1 ATOM 653 N N . THR A 1 91 ? 37.994 15.313 5.528 1.00 7.75 ? 91 THR E N 1 ATOM 654 C CA . THR A 1 91 ? 37.245 16.092 4.526 1.00 7.45 ? 91 THR E CA 1 ATOM 655 C C . THR A 1 91 ? 35.762 15.754 4.558 1.00 8.85 ? 91 THR E C 1 ATOM 656 O O . THR A 1 91 ? 35.365 14.601 4.560 1.00 6.61 ? 91 THR E O 1 ATOM 657 C CB . THR A 1 91 ? 37.760 15.926 3.039 1.00 6.83 ? 91 THR E CB 1 ATOM 658 O OG1 . THR A 1 91 ? 39.165 16.219 3.161 1.00 10.35 ? 91 THR E OG1 1 ATOM 659 C CG2 . THR A 1 91 ? 37.014 16.890 2.097 1.00 11.52 ? 91 THR E CG2 1 ATOM 660 N N . VAL A 1 92 ? 34.988 16.850 4.657 1.00 9.00 ? 92 VAL E N 1 ATOM 661 C CA . VAL A 1 92 ? 33.538 16.741 4.714 1.00 8.69 ? 92 VAL E CA 1 ATOM 662 C C . VAL A 1 92 ? 32.978 17.742 3.669 1.00 11.05 ? 92 VAL E C 1 ATOM 663 O O . VAL A 1 92 ? 33.250 18.949 3.828 1.00 9.59 ? 92 VAL E O 1 ATOM 664 C CB . VAL A 1 92 ? 32.983 17.077 6.126 1.00 13.71 ? 92 VAL E CB 1 ATOM 665 C CG1 . VAL A 1 92 ? 31.440 17.082 6.099 1.00 8.97 ? 92 VAL E CG1 1 ATOM 666 C CG2 . VAL A 1 92 ? 33.456 16.156 7.224 1.00 9.82 ? 92 VAL E CG2 1 ATOM 667 N N . GLY A 1 93 ? 32.287 17.198 2.691 1.00 10.00 ? 93 GLY E N 1 ATOM 668 C CA . GLY A 1 93 ? 31.675 18.061 1.645 1.00 13.44 ? 93 GLY E CA 1 ATOM 669 C C . GLY A 1 93 ? 32.696 19.001 1.011 1.00 13.36 ? 93 GLY E C 1 ATOM 670 O O . GLY A 1 93 ? 32.396 20.161 0.716 1.00 15.80 ? 93 GLY E O 1 ATOM 671 N N . GLY A 1 94 ? 33.891 18.519 0.767 1.00 14.90 ? 94 GLY E N 1 ATOM 672 C CA . GLY A 1 94 ? 34.980 19.278 0.168 1.00 14.84 ? 94 GLY E CA 1 ATOM 673 C C . GLY A 1 94 ? 35.650 20.263 1.114 1.00 14.12 ? 94 GLY E C 1 ATOM 674 O O . GLY A 1 94 ? 36.522 21.009 0.624 1.00 15.67 ? 94 GLY E O 1 ATOM 675 N N . VAL A 1 95 ? 35.298 20.333 2.385 1.00 11.75 ? 95 VAL E N 1 ATOM 676 C CA . VAL A 1 95 ? 35.958 21.241 3.330 1.00 10.15 ? 95 VAL E CA 1 ATOM 677 C C . VAL A 1 95 ? 36.930 20.297 4.094 1.00 10.32 ? 95 VAL E C 1 ATOM 678 O O . VAL A 1 95 ? 36.486 19.317 4.663 1.00 9.54 ? 95 VAL E O 1 ATOM 679 C CB . VAL A 1 95 ? 34.996 21.904 4.307 1.00 9.85 ? 95 VAL E CB 1 ATOM 680 C CG1 . VAL A 1 95 ? 35.799 22.645 5.354 1.00 12.22 ? 95 VAL E CG1 1 ATOM 681 C CG2 . VAL A 1 95 ? 34.064 22.832 3.523 1.00 12.70 ? 95 VAL E CG2 1 ATOM 682 N N . THR A 1 96 ? 38.206 20.665 4.064 1.00 11.57 ? 96 THR E N 1 ATOM 683 C CA . THR A 1 96 ? 39.225 19.850 4.734 1.00 12.68 ? 96 THR E CA 1 ATOM 684 C C . THR A 1 96 ? 39.816 20.473 5.998 1.00 15.34 ? 96 THR E C 1 ATOM 685 O O . THR A 1 96 ? 40.290 21.635 5.971 1.00 14.42 ? 96 THR E O 1 ATOM 686 C CB . THR A 1 96 ? 40.441 19.502 3.784 1.00 13.04 ? 96 THR E CB 1 ATOM 687 O OG1 . THR A 1 96 ? 39.870 18.873 2.611 1.00 15.57 ? 96 THR E OG1 1 ATOM 688 C CG2 . THR A 1 96 ? 41.504 18.586 4.448 1.00 16.22 ? 96 THR E CG2 1 ATOM 689 N N . ALA A 1 97 ? 39.780 19.667 7.037 1.00 12.07 ? 97 ALA E N 1 ATOM 690 C CA . ALA A 1 97 ? 40.386 20.057 8.326 1.00 13.93 ? 97 ALA E CA 1 ATOM 691 C C . ALA A 1 97 ? 41.735 19.315 8.329 1.00 14.87 ? 97 ALA E C 1 ATOM 692 O O . ALA A 1 97 ? 41.787 18.093 8.198 1.00 15.13 ? 97 ALA E O 1 ATOM 693 C CB . ALA A 1 97 ? 39.524 19.568 9.469 1.00 11.21 ? 97 ALA E CB 1 ATOM 694 N N . HIS A 1 98 ? 42.808 20.077 8.426 1.00 13.61 ? 98 HIS E N 1 ATOM 695 C CA . HIS A 1 98 ? 44.165 19.506 8.499 1.00 15.23 ? 98 HIS E CA 1 ATOM 696 C C . HIS A 1 98 ? 44.472 19.382 10.001 1.00 15.49 ? 98 HIS E C 1 ATOM 697 O O . HIS A 1 98 ? 44.104 20.323 10.757 1.00 16.65 ? 98 HIS E O 1 ATOM 698 C CB . HIS A 1 98 ? 45.214 20.388 7.809 1.00 25.36 ? 98 HIS E CB 1 ATOM 699 C CG . HIS A 1 98 ? 44.917 20.384 6.327 1.00 31.15 ? 98 HIS E CG 1 ATOM 700 N ND1 . HIS A 1 98 ? 44.267 21.408 5.661 1.00 35.59 ? 98 HIS E ND1 1 ATOM 701 C CD2 . HIS A 1 98 ? 45.168 19.408 5.416 1.00 34.44 ? 98 HIS E CD2 1 ATOM 702 C CE1 . HIS A 1 98 ? 44.158 21.076 4.390 1.00 35.57 ? 98 HIS E CE1 1 ATOM 703 N NE2 . HIS A 1 98 ? 44.691 19.879 4.218 1.00 36.31 ? 98 HIS E NE2 1 ATOM 704 N N . GLY A 1 99 ? 45.086 18.308 10.401 1.00 12.52 ? 99 GLY E N 1 ATOM 705 C CA . GLY A 1 99 ? 45.440 18.087 11.808 1.00 13.75 ? 99 GLY E CA 1 ATOM 706 C C . GLY A 1 99 ? 44.258 17.902 12.763 1.00 12.35 ? 99 GLY E C 1 ATOM 707 O O . GLY A 1 99 ? 44.337 18.158 13.998 1.00 13.48 ? 99 GLY E O 1 ATOM 708 N N . GLN A 1 100 ? 43.141 17.421 12.195 1.00 9.87 ? 100 GLN E N 1 ATOM 709 C CA . GLN A 1 100 ? 41.951 17.157 12.992 1.00 8.22 ? 100 GLN E CA 1 ATOM 710 C C . GLN A 1 100 ? 42.214 15.909 13.869 1.00 7.49 ? 100 GLN E C 1 ATOM 711 O O . GLN A 1 100 ? 42.788 14.910 13.348 1.00 7.69 ? 100 GLN E O 1 ATOM 712 C CB . GLN A 1 100 ? 40.753 16.893 12.072 1.00 4.95 ? 100 GLN E CB 1 ATOM 713 C CG . GLN A 1 100 ? 39.545 16.351 12.895 1.00 8.40 ? 100 GLN E CG 1 ATOM 714 C CD . GLN A 1 100 ? 38.907 17.289 13.866 1.00 6.67 ? 100 GLN E CD 1 ATOM 715 O OE1 . GLN A 1 100 ? 38.904 18.494 13.616 1.00 11.46 ? 100 GLN E OE1 1 ATOM 716 N NE2 . GLN A 1 100 ? 38.385 16.790 14.989 1.00 6.66 ? 100 GLN E NE2 1 ATOM 717 N N . ALA A 1 101 ? 41.799 15.965 15.126 1.00 7.57 ? 101 ALA E N 1 ATOM 718 C CA . ALA A 1 101 ? 41.951 14.811 16.005 1.00 5.27 ? 101 ALA E CA 1 ATOM 719 C C . ALA A 1 101 ? 40.909 13.764 15.615 1.00 9.54 ? 101 ALA E C 1 ATOM 720 O O . ALA A 1 101 ? 39.702 14.026 15.557 1.00 7.64 ? 101 ALA E O 1 ATOM 721 C CB . ALA A 1 101 ? 41.741 15.169 17.469 1.00 6.75 ? 101 ALA E CB 1 ATOM 722 N N . VAL A 1 102 ? 41.328 12.547 15.351 1.00 9.10 ? 102 VAL E N 1 ATOM 723 C CA . VAL A 1 102 ? 40.508 11.407 14.927 1.00 8.23 ? 102 VAL E CA 1 ATOM 724 C C . VAL A 1 102 ? 40.678 10.353 16.029 1.00 7.73 ? 102 VAL E C 1 ATOM 725 O O . VAL A 1 102 ? 41.807 9.899 16.304 1.00 7.34 ? 102 VAL E O 1 ATOM 726 C CB . VAL A 1 102 ? 41.025 10.874 13.570 1.00 7.01 ? 102 VAL E CB 1 ATOM 727 C CG1 . VAL A 1 102 ? 40.271 9.554 13.268 1.00 8.57 ? 102 VAL E CG1 1 ATOM 728 C CG2 . VAL A 1 102 ? 40.999 11.907 12.469 1.00 6.81 ? 102 VAL E CG2 1 ATOM 729 N N . GLN A 1 103 ? 39.578 10.036 16.665 1.00 6.98 ? 103 GLN E N 1 ATOM 730 C CA . GLN A 1 103 ? 39.525 9.087 17.811 1.00 7.53 ? 103 GLN E CA 1 ATOM 731 C C . GLN A 1 103 ? 39.314 7.670 17.267 1.00 8.73 ? 103 GLN E C 1 ATOM 732 O O . GLN A 1 103 ? 38.235 7.306 16.805 1.00 8.59 ? 103 GLN E O 1 ATOM 733 C CB . GLN A 1 103 ? 38.446 9.611 18.761 1.00 6.80 ? 103 GLN E CB 1 ATOM 734 C CG . GLN A 1 103 ? 38.820 10.989 19.333 1.00 6.44 ? 103 GLN E CG 1 ATOM 735 C CD . GLN A 1 103 ? 37.622 11.659 20.035 1.00 7.85 ? 103 GLN E CD 1 ATOM 736 O OE1 . GLN A 1 103 ? 37.349 12.863 19.888 1.00 8.80 ? 103 GLN E OE1 1 ATOM 737 N NE2 . GLN A 1 103 ? 36.985 10.784 20.846 1.00 3.86 ? 103 GLN E NE2 1 ATOM 738 N N . ALA A 1 104 ? 40.406 6.907 17.292 1.00 8.10 ? 104 ALA E N 1 ATOM 739 C CA . ALA A 1 104 ? 40.366 5.528 16.762 1.00 9.11 ? 104 ALA E CA 1 ATOM 740 C C . ALA A 1 104 ? 39.809 4.569 17.807 1.00 5.36 ? 104 ALA E C 1 ATOM 741 O O . ALA A 1 104 ? 40.328 4.465 18.939 1.00 7.56 ? 104 ALA E O 1 ATOM 742 C CB . ALA A 1 104 ? 41.804 5.176 16.315 1.00 9.92 ? 104 ALA E CB 1 ATOM 743 N N . ALA A 1 105 ? 38.717 3.870 17.443 1.00 5.63 ? 105 ALA E N 1 ATOM 744 C CA . ALA A 1 105 ? 38.135 2.935 18.405 1.00 6.29 ? 105 ALA E CA 1 ATOM 745 C C . ALA A 1 105 ? 39.056 1.712 18.640 1.00 9.52 ? 105 ALA E C 1 ATOM 746 O O . ALA A 1 105 ? 39.582 1.076 17.711 1.00 8.02 ? 105 ALA E O 1 ATOM 747 C CB . ALA A 1 105 ? 36.772 2.447 17.913 1.00 7.38 ? 105 ALA E CB 1 ATOM 748 N N . GLN A 1 106 ? 39.177 1.364 19.909 1.00 9.69 ? 106 GLN E N 1 ATOM 749 C CA . GLN A 1 106 ? 39.855 0.164 20.409 1.00 10.23 ? 106 GLN E CA 1 ATOM 750 C C . GLN A 1 106 ? 38.767 -0.782 20.968 1.00 11.53 ? 106 GLN E C 1 ATOM 751 O O . GLN A 1 106 ? 38.891 -2.030 20.876 1.00 12.47 ? 106 GLN E O 1 ATOM 752 C CB . GLN A 1 106 ? 40.906 0.448 21.481 1.00 8.55 ? 106 GLN E CB 1 ATOM 753 C CG . GLN A 1 106 ? 42.177 0.920 20.748 1.00 11.30 ? 106 GLN E CG 1 ATOM 754 C CD . GLN A 1 106 ? 43.247 1.239 21.779 1.00 15.56 ? 106 GLN E CD 1 ATOM 755 O OE1 . GLN A 1 106 ? 42.917 1.996 22.658 1.00 10.94 ? 106 GLN E OE1 1 ATOM 756 N NE2 . GLN A 1 106 ? 44.433 0.648 21.612 1.00 16.93 ? 106 GLN E NE2 1 ATOM 757 N N . GLN A 1 107 ? 37.718 -0.220 21.540 1.00 9.53 ? 107 GLN E N 1 ATOM 758 C CA . GLN A 1 107 ? 36.596 -0.936 22.144 1.00 11.62 ? 107 GLN E CA 1 ATOM 759 C C . GLN A 1 107 ? 35.253 -0.244 21.783 1.00 11.41 ? 107 GLN E C 1 ATOM 760 O O . GLN A 1 107 ? 35.228 0.996 21.808 1.00 11.17 ? 107 GLN E O 1 ATOM 761 C CB . GLN A 1 107 ? 36.628 -0.933 23.670 1.00 15.47 ? 107 GLN E CB 1 ATOM 762 C CG . GLN A 1 107 ? 38.023 -1.012 24.236 1.00 37.39 ? 107 GLN E CG 1 ATOM 763 C CD . GLN A 1 107 ? 38.309 -2.361 24.867 1.00 47.41 ? 107 GLN E CD 1 ATOM 764 O OE1 . GLN A 1 107 ? 38.894 -2.481 25.952 1.00 55.06 ? 107 GLN E OE1 1 ATOM 765 N NE2 . GLN A 1 107 ? 37.889 -3.425 24.174 1.00 53.96 ? 107 GLN E NE2 1 ATOM 766 N N . ILE A 1 108 ? 34.241 -1.047 21.518 1.00 8.61 ? 108 ILE E N 1 ATOM 767 C CA . ILE A 1 108 ? 32.893 -0.551 21.184 1.00 10.63 ? 108 ILE E CA 1 ATOM 768 C C . ILE A 1 108 ? 31.868 -1.463 21.876 1.00 12.01 ? 108 ILE E C 1 ATOM 769 O O . ILE A 1 108 ? 32.134 -2.688 21.898 1.00 11.85 ? 108 ILE E O 1 ATOM 770 C CB . ILE A 1 108 ? 32.545 -0.496 19.658 1.00 8.85 ? 108 ILE E CB 1 ATOM 771 C CG1 . ILE A 1 108 ? 32.892 -1.830 18.968 1.00 11.34 ? 108 ILE E CG1 1 ATOM 772 C CG2 . ILE A 1 108 ? 33.307 0.646 18.958 1.00 9.08 ? 108 ILE E CG2 1 ATOM 773 C CD1 . ILE A 1 108 ? 32.411 -2.018 17.528 1.00 11.66 ? 108 ILE E CD1 1 ATOM 774 N N . SER A 1 109 ? 30.784 -0.866 22.330 1.00 10.37 ? 109 SER E N 1 ATOM 775 C CA . SER A 1 109 ? 29.742 -1.631 23.046 1.00 9.83 ? 109 SER E CA 1 ATOM 776 C C . SER A 1 109 ? 28.898 -2.386 22.058 1.00 11.84 ? 109 SER E C 1 ATOM 777 O O . SER A 1 109 ? 29.061 -2.180 20.837 1.00 12.18 ? 109 SER E O 1 ATOM 778 C CB . SER A 1 109 ? 29.020 -0.612 23.925 1.00 12.73 ? 109 SER E CB 1 ATOM 779 O OG . SER A 1 109 ? 28.108 0.050 23.044 1.00 12.57 ? 109 SER E OG 1 ATOM 780 N N . ALA A 1 110 ? 28.079 -3.308 22.509 1.00 13.45 ? 110 ALA E N 1 ATOM 781 C CA . ALA A 1 110 ? 27.228 -4.143 21.649 1.00 15.31 ? 110 ALA E CA 1 ATOM 782 C C . ALA A 1 110 ? 26.385 -3.413 20.628 1.00 15.05 ? 110 ALA E C 1 ATOM 783 O O . ALA A 1 110 ? 26.240 -3.899 19.499 1.00 14.37 ? 110 ALA E O 1 ATOM 784 C CB . ALA A 1 110 ? 26.309 -4.975 22.556 1.00 14.09 ? 110 ALA E CB 1 ATOM 785 N N . GLN A 1 111 ? 25.832 -2.266 21.056 1.00 16.52 ? 111 GLN E N 1 ATOM 786 C CA . GLN A 1 111 ? 24.992 -1.491 20.104 1.00 16.42 ? 111 GLN E CA 1 ATOM 787 C C . GLN A 1 111 ? 25.750 -1.151 18.834 1.00 17.25 ? 111 GLN E C 1 ATOM 788 O O . GLN A 1 111 ? 25.257 -1.243 17.694 1.00 17.36 ? 111 GLN E O 1 ATOM 789 C CB . GLN A 1 111 ? 24.449 -0.272 20.849 1.00 19.48 ? 111 GLN E CB 1 ATOM 790 C CG . GLN A 1 111 ? 23.393 -0.772 21.826 1.00 31.65 ? 111 GLN E CG 1 ATOM 791 C CD . GLN A 1 111 ? 22.957 0.298 22.814 1.00 41.05 ? 111 GLN E CD 1 ATOM 792 O OE1 . GLN A 1 111 ? 22.086 1.123 22.498 1.00 46.35 ? 111 GLN E OE1 1 ATOM 793 N NE2 . GLN A 1 111 ? 23.568 0.260 24.003 1.00 40.71 ? 111 GLN E NE2 1 ATOM 794 N N . PHE A 1 112 ? 27.024 -0.751 19.035 1.00 14.46 ? 112 PHE E N 1 ATOM 795 C CA . PHE A 1 112 ? 27.883 -0.376 17.905 1.00 15.43 ? 112 PHE E CA 1 ATOM 796 C C . PHE A 1 112 ? 28.296 -1.604 17.081 1.00 17.12 ? 112 PHE E C 1 ATOM 797 O O . PHE A 1 112 ? 28.352 -1.521 15.840 1.00 17.59 ? 112 PHE E O 1 ATOM 798 C CB . PHE A 1 112 ? 29.100 0.445 18.389 1.00 13.63 ? 112 PHE E CB 1 ATOM 799 C CG . PHE A 1 112 ? 28.671 1.843 18.773 1.00 10.97 ? 112 PHE E CG 1 ATOM 800 C CD1 . PHE A 1 112 ? 28.875 2.256 20.084 1.00 13.10 ? 112 PHE E CD1 1 ATOM 801 C CD2 . PHE A 1 112 ? 28.039 2.676 17.838 1.00 14.46 ? 112 PHE E CD2 1 ATOM 802 C CE1 . PHE A 1 112 ? 28.478 3.527 20.501 1.00 15.82 ? 112 PHE E CE1 1 ATOM 803 C CE2 . PHE A 1 112 ? 27.621 3.957 18.245 1.00 15.54 ? 112 PHE E CE2 1 ATOM 804 C CZ . PHE A 1 112 ? 27.855 4.368 19.583 1.00 11.34 ? 112 PHE E CZ 1 ATOM 805 N N . GLN A 1 113 ? 28.566 -2.697 17.788 1.00 18.30 ? 113 GLN E N 1 ATOM 806 C CA . GLN A 1 113 ? 28.952 -3.932 17.066 1.00 21.16 ? 113 GLN E CA 1 ATOM 807 C C . GLN A 1 113 ? 27.718 -4.403 16.262 1.00 23.38 ? 113 GLN E C 1 ATOM 808 O O . GLN A 1 113 ? 27.933 -5.018 15.202 1.00 25.62 ? 113 GLN E O 1 ATOM 809 C CB . GLN A 1 113 ? 29.429 -5.039 17.985 1.00 23.94 ? 113 GLN E CB 1 ATOM 810 C CG . GLN A 1 113 ? 30.388 -4.584 19.056 1.00 26.34 ? 113 GLN E CG 1 ATOM 811 C CD . GLN A 1 113 ? 30.688 -5.555 20.161 1.00 29.57 ? 113 GLN E CD 1 ATOM 812 O OE1 . GLN A 1 113 ? 30.633 -6.761 19.931 1.00 36.02 ? 113 GLN E OE1 1 ATOM 813 N NE2 . GLN A 1 113 ? 30.994 -5.137 21.388 1.00 28.30 ? 113 GLN E NE2 1 ATOM 814 N N . GLN A 1 114 ? 26.509 -4.107 16.744 1.00 21.70 ? 114 GLN E N 1 ATOM 815 C CA . GLN A 1 114 ? 25.337 -4.595 15.972 1.00 22.78 ? 114 GLN E CA 1 ATOM 816 C C . GLN A 1 114 ? 24.956 -3.705 14.816 1.00 22.68 ? 114 GLN E C 1 ATOM 817 O O . GLN A 1 114 ? 24.367 -4.212 13.837 1.00 24.21 ? 114 GLN E O 1 ATOM 818 C CB . GLN A 1 114 ? 24.174 -4.863 16.918 1.00 29.54 ? 114 GLN E CB 1 ATOM 819 C CG . GLN A 1 114 ? 24.360 -5.945 17.968 1.00 42.48 ? 114 GLN E CG 1 ATOM 820 C CD . GLN A 1 114 ? 23.450 -5.766 19.170 1.00 49.37 ? 114 GLN E CD 1 ATOM 821 O OE1 . GLN A 1 114 ? 22.472 -5.004 19.170 1.00 54.15 ? 114 GLN E OE1 1 ATOM 822 N NE2 . GLN A 1 114 ? 23.712 -6.455 20.286 1.00 51.94 ? 114 GLN E NE2 1 ATOM 823 N N . ASP A 1 115 ? 25.292 -2.429 14.863 1.00 19.27 ? 115 ASP E N 1 ATOM 824 C CA . ASP A 1 115 ? 24.913 -1.504 13.781 1.00 18.32 ? 115 ASP E CA 1 ATOM 825 C C . ASP A 1 115 ? 25.921 -1.355 12.666 1.00 18.12 ? 115 ASP E C 1 ATOM 826 O O . ASP A 1 115 ? 26.934 -0.646 12.870 1.00 17.97 ? 115 ASP E O 1 ATOM 827 C CB . ASP A 1 115 ? 24.674 -0.155 14.510 1.00 23.37 ? 115 ASP E CB 1 ATOM 828 C CG . ASP A 1 115 ? 24.202 0.890 13.499 1.00 23.75 ? 115 ASP E CG 1 ATOM 829 O OD1 . ASP A 1 115 ? 24.147 0.636 12.286 1.00 27.20 ? 115 ASP E OD1 1 ATOM 830 O OD2 . ASP A 1 115 ? 23.867 1.966 14.031 1.00 26.74 ? 115 ASP E OD2 1 ATOM 831 N N . THR A 1 116 ? 25.643 -1.942 11.525 1.00 15.48 ? 116 THR E N 1 ATOM 832 C CA . THR A 1 116 ? 26.561 -1.819 10.388 1.00 18.80 ? 116 THR E CA 1 ATOM 833 C C . THR A 1 116 ? 26.244 -0.627 9.493 1.00 16.17 ? 116 THR E C 1 ATOM 834 O O . THR A 1 116 ? 26.950 -0.544 8.483 1.00 14.52 ? 116 THR E O 1 ATOM 835 C CB . THR A 1 116 ? 26.621 -3.165 9.559 1.00 23.80 ? 116 THR E CB 1 ATOM 836 O OG1 . THR A 1 116 ? 25.229 -3.459 9.203 1.00 28.51 ? 116 THR E OG1 1 ATOM 837 C CG2 . THR A 1 116 ? 27.303 -4.269 10.366 1.00 22.79 ? 116 THR E CG2 1 ATOM 838 N N . ASN A 1 117 ? 25.306 0.223 9.855 1.00 15.70 ? 117 ASN E N 1 ATOM 839 C CA . ASN A 1 117 ? 24.980 1.391 9.050 1.00 15.24 ? 117 ASN E CA 1 ATOM 840 C C . ASN A 1 117 ? 26.020 2.525 9.161 1.00 14.58 ? 117 ASN E C 1 ATOM 841 O O . ASN A 1 117 ? 26.048 3.311 8.190 1.00 13.04 ? 117 ASN E O 1 ATOM 842 C CB . ASN A 1 117 ? 23.612 1.969 9.458 1.00 23.34 ? 117 ASN E CB 1 ATOM 843 C CG . ASN A 1 117 ? 22.524 0.910 9.236 1.00 28.80 ? 117 ASN E CG 1 ATOM 844 O OD1 . ASN A 1 117 ? 22.533 0.410 8.080 1.00 34.10 ? 117 ASN E OD1 1 ATOM 845 N ND2 . ASN A 1 117 ? 21.760 0.676 10.307 1.00 28.55 ? 117 ASN E ND2 1 ATOM 846 N N . ASN A 1 118 ? 26.786 2.576 10.251 1.00 12.34 ? 118 ASN E N 1 ATOM 847 C CA . ASN A 1 118 ? 27.761 3.672 10.333 1.00 8.64 ? 118 ASN E CA 1 ATOM 848 C C . ASN A 1 118 ? 29.117 3.035 10.729 1.00 9.60 ? 118 ASN E C 1 ATOM 849 O O . ASN A 1 118 ? 29.197 1.885 11.172 1.00 8.84 ? 118 ASN E O 1 ATOM 850 C CB . ASN A 1 118 ? 27.378 4.844 11.245 1.00 8.69 ? 118 ASN E CB 1 ATOM 851 C CG . ASN A 1 118 ? 27.455 4.463 12.712 1.00 14.24 ? 118 ASN E CG 1 ATOM 852 O OD1 . ASN A 1 118 ? 28.476 4.060 13.285 1.00 15.08 ? 118 ASN E OD1 1 ATOM 853 N ND2 . ASN A 1 118 ? 26.300 4.496 13.375 1.00 14.12 ? 118 ASN E ND2 1 ATOM 854 N N . ASP A 1 119 ? 30.094 3.915 10.516 1.00 7.08 ? 119 ASP E N 1 ATOM 855 C CA . ASP A 1 119 ? 31.515 3.576 10.797 1.00 9.03 ? 119 ASP E CA 1 ATOM 856 C C . ASP A 1 119 ? 32.066 4.519 11.894 1.00 6.64 ? 119 ASP E C 1 ATOM 857 O O . ASP A 1 119 ? 33.305 4.649 11.978 1.00 6.83 ? 119 ASP E O 1 ATOM 858 C CB . ASP A 1 119 ? 32.430 3.559 9.571 1.00 5.28 ? 119 ASP E CB 1 ATOM 859 C CG . ASP A 1 119 ? 31.882 2.785 8.373 1.00 8.90 ? 119 ASP E CG 1 ATOM 860 O OD1 . ASP A 1 119 ? 31.489 1.621 8.512 1.00 8.61 ? 119 ASP E OD1 1 ATOM 861 O OD2 . ASP A 1 119 ? 31.798 3.306 7.212 1.00 8.80 ? 119 ASP E OD2 1 ATOM 862 N N . GLY A 1 120 ? 31.156 5.081 12.641 1.00 5.56 ? 120 GLY E N 1 ATOM 863 C CA . GLY A 1 120 ? 31.577 5.996 13.765 1.00 5.22 ? 120 GLY E CA 1 ATOM 864 C C . GLY A 1 120 ? 30.669 7.253 13.677 1.00 9.96 ? 120 GLY E C 1 ATOM 865 O O . GLY A 1 120 ? 29.688 7.339 12.888 1.00 6.72 ? 120 GLY E O 1 ATOM 866 N N . LEU A 1 121 ? 31.041 8.202 14.531 1.00 8.14 ? 121 LEU E N 1 ATOM 867 C CA . LEU A 1 121 ? 30.281 9.436 14.688 1.00 8.21 ? 121 LEU E CA 1 ATOM 868 C C . LEU A 1 121 ? 31.183 10.655 14.543 1.00 6.90 ? 121 LEU E C 1 ATOM 869 O O . LEU A 1 121 ? 32.359 10.553 14.842 1.00 7.73 ? 121 LEU E O 1 ATOM 870 C CB . LEU A 1 121 ? 29.657 9.409 16.118 1.00 6.98 ? 121 LEU E CB 1 ATOM 871 C CG . LEU A 1 121 ? 28.251 8.818 16.246 1.00 10.23 ? 121 LEU E CG 1 ATOM 872 C CD1 . LEU A 1 121 ? 28.318 7.298 16.177 1.00 13.23 ? 121 LEU E CD1 1 ATOM 873 C CD2 . LEU A 1 121 ? 27.722 9.239 17.637 1.00 14.40 ? 121 LEU E CD2 1 ATOM 874 N N . LEU A 1 122 ? 30.599 11.741 14.060 1.00 7.55 ? 122 LEU E N 1 ATOM 875 C CA . LEU A 1 122 ? 31.320 13.018 13.925 1.00 5.11 ? 122 LEU E CA 1 ATOM 876 C C . LEU A 1 122 ? 30.501 13.955 14.826 1.00 6.62 ? 122 LEU E C 1 ATOM 877 O O . LEU A 1 122 ? 29.325 14.260 14.437 1.00 6.13 ? 122 LEU E O 1 ATOM 878 C CB . LEU A 1 122 ? 31.317 13.428 12.452 1.00 5.31 ? 122 LEU E CB 1 ATOM 879 C CG . LEU A 1 122 ? 32.194 14.674 12.229 1.00 7.34 ? 122 LEU E CG 1 ATOM 880 C CD1 . LEU A 1 122 ? 32.901 14.617 10.879 1.00 10.81 ? 122 LEU E CD1 1 ATOM 881 C CD2 . LEU A 1 122 ? 31.325 15.945 12.339 1.00 8.29 ? 122 LEU E CD2 1 ATOM 882 N N . GLY A 1 123 ? 31.047 14.415 15.943 1.00 2.84 ? 123 GLY E N 1 ATOM 883 C CA . GLY A 1 123 ? 30.343 15.269 16.879 1.00 5.41 ? 123 GLY E CA 1 ATOM 884 C C . GLY A 1 123 ? 30.405 16.731 16.431 1.00 4.97 ? 123 GLY E C 1 ATOM 885 O O . GLY A 1 123 ? 31.439 17.268 16.016 1.00 6.08 ? 123 GLY E O 1 ATOM 886 N N . LEU A 1 124 ? 29.245 17.386 16.590 1.00 4.33 ? 124 LEU E N 1 ATOM 887 C CA . LEU A 1 124 ? 29.074 18.787 16.249 1.00 4.28 ? 124 LEU E CA 1 ATOM 888 C C . LEU A 1 124 ? 28.559 19.633 17.412 1.00 6.21 ? 124 LEU E C 1 ATOM 889 O O . LEU A 1 124 ? 28.119 20.777 17.121 1.00 6.72 ? 124 LEU E O 1 ATOM 890 C CB . LEU A 1 124 ? 28.158 18.896 14.996 1.00 6.74 ? 124 LEU E CB 1 ATOM 891 C CG . LEU A 1 124 ? 28.766 18.357 13.704 1.00 10.39 ? 124 LEU E CG 1 ATOM 892 C CD1 . LEU A 1 124 ? 27.722 18.309 12.579 1.00 9.98 ? 124 LEU E CD1 1 ATOM 893 C CD2 . LEU A 1 124 ? 29.984 19.238 13.290 1.00 9.81 ? 124 LEU E CD2 1 ATOM 894 N N . ALA A 1 125 ? 28.648 19.104 18.618 1.00 6.03 ? 125 ALA E N 1 ATOM 895 C CA . ALA A 1 125 ? 28.274 19.888 19.835 1.00 5.68 ? 125 ALA E CA 1 ATOM 896 C C . ALA A 1 125 ? 29.501 20.796 20.087 1.00 5.68 ? 125 ALA E C 1 ATOM 897 O O . ALA A 1 125 ? 30.483 20.792 19.313 1.00 7.94 ? 125 ALA E O 1 ATOM 898 C CB . ALA A 1 125 ? 27.984 18.997 21.040 1.00 3.68 ? 125 ALA E CB 1 ATOM 899 N N . PHE A 1 126 ? 29.488 21.577 21.148 1.00 5.85 ? 126 PHE E N 1 ATOM 900 C CA . PHE A 1 126 ? 30.631 22.490 21.470 1.00 6.38 ? 126 PHE E CA 1 ATOM 901 C C . PHE A 1 126 ? 31.843 21.641 21.940 1.00 6.11 ? 126 PHE E C 1 ATOM 902 O O . PHE A 1 126 ? 31.641 20.597 22.568 1.00 5.71 ? 126 PHE E O 1 ATOM 903 C CB . PHE A 1 126 ? 30.217 23.541 22.466 1.00 8.04 ? 126 PHE E CB 1 ATOM 904 C CG . PHE A 1 126 ? 29.201 24.458 21.844 1.00 5.09 ? 126 PHE E CG 1 ATOM 905 C CD1 . PHE A 1 126 ? 27.851 24.139 21.967 1.00 7.22 ? 126 PHE E CD1 1 ATOM 906 C CD2 . PHE A 1 126 ? 29.606 25.612 21.218 1.00 10.49 ? 126 PHE E CD2 1 ATOM 907 C CE1 . PHE A 1 126 ? 26.902 24.997 21.396 1.00 9.09 ? 126 PHE E CE1 1 ATOM 908 C CE2 . PHE A 1 126 ? 28.655 26.477 20.627 1.00 11.69 ? 126 PHE E CE2 1 ATOM 909 C CZ . PHE A 1 126 ? 27.305 26.142 20.712 1.00 9.50 ? 126 PHE E CZ 1 ATOM 910 N N . SER A 1 127 ? 33.016 22.133 21.548 1.00 5.55 ? 127 SER E N 1 ATOM 911 C CA . SER A 1 127 ? 34.268 21.383 21.882 1.00 8.34 ? 127 SER E CA 1 ATOM 912 C C . SER A 1 127 ? 34.514 21.191 23.367 1.00 9.68 ? 127 SER E C 1 ATOM 913 O O . SER A 1 127 ? 35.308 20.270 23.734 1.00 8.18 ? 127 SER E O 1 ATOM 914 C CB . SER A 1 127 ? 35.472 22.038 21.209 1.00 6.83 ? 127 SER E CB 1 ATOM 915 O OG . SER A 1 127 ? 35.311 21.907 19.816 1.00 8.54 ? 127 SER E OG 1 ATOM 916 N N . SER A 1 128 ? 33.807 21.996 24.169 1.00 9.28 ? 128 SER E N 1 ATOM 917 C CA . SER A 1 128 ? 33.939 21.902 25.630 1.00 9.48 ? 128 SER E CA 1 ATOM 918 C C . SER A 1 128 ? 33.592 20.517 26.200 1.00 11.87 ? 128 SER E C 1 ATOM 919 O O . SER A 1 128 ? 34.023 20.240 27.361 1.00 11.31 ? 128 SER E O 1 ATOM 920 C CB . SER A 1 128 ? 33.137 22.956 26.390 1.00 10.08 ? 128 SER E CB 1 ATOM 921 O OG . SER A 1 128 ? 31.742 22.765 26.122 1.00 15.32 ? 128 SER E OG 1 ATOM 922 N N . ILE A 1 129 ? 32.849 19.693 25.465 1.00 7.15 ? 129 ILE E N 1 ATOM 923 C CA . ILE A 1 129 ? 32.495 18.365 25.965 1.00 7.20 ? 129 ILE E CA 1 ATOM 924 C C . ILE A 1 129 ? 33.203 17.240 25.227 1.00 6.14 ? 129 ILE E C 1 ATOM 925 O O . ILE A 1 129 ? 32.790 16.066 25.395 1.00 8.50 ? 129 ILE E O 1 ATOM 926 C CB . ILE A 1 129 ? 30.950 18.212 26.099 1.00 10.06 ? 129 ILE E CB 1 ATOM 927 C CG1 . ILE A 1 129 ? 30.202 18.397 24.744 1.00 8.90 ? 129 ILE E CG1 1 ATOM 928 C CG2 . ILE A 1 129 ? 30.412 19.222 27.179 1.00 8.14 ? 129 ILE E CG2 1 ATOM 929 C CD1 . ILE A 1 129 ? 28.812 17.694 24.816 1.00 8.63 ? 129 ILE E CD1 1 ATOM 930 N N . ASN A 1 130 ? 34.239 17.614 24.500 1.00 7.00 ? 130 ASN E N 1 ATOM 931 C CA . ASN A 1 130 ? 35.068 16.558 23.831 1.00 6.05 ? 130 ASN E CA 1 ATOM 932 C C . ASN A 1 130 ? 35.729 15.741 24.965 1.00 9.39 ? 130 ASN E C 1 ATOM 933 O O . ASN A 1 130 ? 36.246 16.320 25.942 1.00 10.49 ? 130 ASN E O 1 ATOM 934 C CB . ASN A 1 130 ? 36.106 17.202 22.921 1.00 7.26 ? 130 ASN E CB 1 ATOM 935 C CG . ASN A 1 130 ? 37.029 16.141 22.311 1.00 8.70 ? 130 ASN E CG 1 ATOM 936 O OD1 . ASN A 1 130 ? 38.115 15.957 22.886 1.00 8.90 ? 130 ASN E OD1 1 ATOM 937 N ND2 . ASN A 1 130 ? 36.679 15.473 21.219 1.00 9.88 ? 130 ASN E ND2 1 ATOM 938 N N . THR A 1 131 ? 35.750 14.408 24.807 1.00 9.35 ? 131 THR E N 1 ATOM 939 C CA . THR A 1 131 ? 36.270 13.497 25.822 1.00 5.64 ? 131 THR E CA 1 ATOM 940 C C . THR A 1 131 ? 37.765 13.174 25.773 1.00 8.40 ? 131 THR E C 1 ATOM 941 O O . THR A 1 131 ? 38.171 12.377 26.658 1.00 8.20 ? 131 THR E O 1 ATOM 942 C CB . THR A 1 131 ? 35.455 12.158 25.853 1.00 8.01 ? 131 THR E CB 1 ATOM 943 O OG1 . THR A 1 131 ? 35.844 11.296 24.786 1.00 7.31 ? 131 THR E OG1 1 ATOM 944 C CG2 . THR A 1 131 ? 33.906 12.300 25.786 1.00 8.45 ? 131 THR E CG2 1 ATOM 945 N N . VAL A 1 132 ? 38.496 13.679 24.814 1.00 8.11 ? 132 VAL E N 1 ATOM 946 C CA . VAL A 1 132 ? 39.938 13.324 24.736 1.00 6.58 ? 132 VAL E CA 1 ATOM 947 C C . VAL A 1 132 ? 40.663 13.761 26.012 1.00 7.60 ? 132 VAL E C 1 ATOM 948 O O . VAL A 1 132 ? 40.396 14.847 26.528 1.00 6.94 ? 132 VAL E O 1 ATOM 949 C CB . VAL A 1 132 ? 40.573 13.849 23.467 1.00 7.03 ? 132 VAL E CB 1 ATOM 950 C CG1 . VAL A 1 132 ? 42.124 13.697 23.541 1.00 6.49 ? 132 VAL E CG1 1 ATOM 951 C CG2 . VAL A 1 132 ? 40.052 13.075 22.256 1.00 8.31 ? 132 VAL E CG2 1 ATOM 952 N N . GLN A 1 133 ? 41.533 12.896 26.472 1.00 5.66 ? 133 GLN E N 1 ATOM 953 C CA . GLN A 1 133 ? 42.327 13.205 27.699 1.00 8.83 ? 133 GLN E CA 1 ATOM 954 C C . GLN A 1 133 ? 43.816 12.928 27.401 1.00 9.60 ? 133 GLN E C 1 ATOM 955 O O . GLN A 1 133 ? 44.097 12.057 26.569 1.00 7.62 ? 133 GLN E O 1 ATOM 956 C CB . GLN A 1 133 ? 41.911 12.307 28.878 1.00 17.05 ? 133 GLN E CB 1 ATOM 957 C CG . GLN A 1 133 ? 40.511 12.733 29.344 1.00 35.34 ? 133 GLN E CG 1 ATOM 958 C CD . GLN A 1 133 ? 40.009 11.713 30.350 1.00 45.23 ? 133 GLN E CD 1 ATOM 959 O OE1 . GLN A 1 133 ? 39.801 12.042 31.519 1.00 54.11 ? 133 GLN E OE1 1 ATOM 960 N NE2 . GLN A 1 133 ? 39.835 10.473 29.885 1.00 50.00 ? 133 GLN E NE2 1 ATOM 961 N N . PRO A 1 134 ? 44.694 13.652 28.048 1.00 8.20 ? 134 PRO E N 1 ATOM 962 C CA . PRO A 1 134 ? 44.482 14.658 29.049 1.00 9.63 ? 134 PRO E CA 1 ATOM 963 C C . PRO A 1 134 ? 44.005 16.025 28.596 1.00 11.73 ? 134 PRO E C 1 ATOM 964 O O . PRO A 1 134 ? 43.590 16.776 29.489 1.00 15.37 ? 134 PRO E O 1 ATOM 965 C CB . PRO A 1 134 ? 45.892 14.810 29.685 1.00 10.06 ? 134 PRO E CB 1 ATOM 966 C CG . PRO A 1 134 ? 46.811 14.544 28.513 1.00 13.12 ? 134 PRO E CG 1 ATOM 967 C CD . PRO A 1 134 ? 46.146 13.344 27.770 1.00 10.26 ? 134 PRO E CD 1 ATOM 968 N N . GLN A 1 135 ? 44.083 16.322 27.319 1.00 11.18 ? 135 GLN E N 1 ATOM 969 C CA . GLN A 1 135 ? 43.657 17.643 26.798 1.00 10.48 ? 135 GLN E CA 1 ATOM 970 C C . GLN A 1 135 ? 42.594 17.398 25.710 1.00 12.01 ? 135 GLN E C 1 ATOM 971 O O . GLN A 1 135 ? 42.930 16.637 24.770 1.00 11.55 ? 135 GLN E O 1 ATOM 972 C CB . GLN A 1 135 ? 44.849 18.420 26.270 1.00 13.71 ? 135 GLN E CB 1 ATOM 973 C CG . GLN A 1 135 ? 45.838 18.646 27.441 1.00 16.99 ? 135 GLN E CG 1 ATOM 974 C CD . GLN A 1 135 ? 46.859 19.680 27.023 1.00 24.68 ? 135 GLN E CD 1 ATOM 975 O OE1 . GLN A 1 135 ? 47.155 20.677 27.687 1.00 20.46 ? 135 GLN E OE1 1 ATOM 976 N NE2 . GLN A 1 135 ? 47.427 19.495 25.834 1.00 26.56 ? 135 GLN E NE2 1 ATOM 977 N N . SER A 1 136 ? 41.440 18.006 25.908 1.00 8.25 ? 136 SER E N 1 ATOM 978 C CA . SER A 1 136 ? 40.358 17.857 24.910 1.00 10.83 ? 136 SER E CA 1 ATOM 979 C C . SER A 1 136 ? 40.744 18.486 23.576 1.00 12.87 ? 136 SER E C 1 ATOM 980 O O . SER A 1 136 ? 41.626 19.388 23.461 1.00 11.17 ? 136 SER E O 1 ATOM 981 C CB . SER A 1 136 ? 39.084 18.467 25.449 1.00 14.06 ? 136 SER E CB 1 ATOM 982 O OG . SER A 1 136 ? 39.264 19.846 25.657 1.00 13.73 ? 136 SER E OG 1 ATOM 983 N N . GLN A 1 137 ? 40.108 17.977 22.522 1.00 8.82 ? 137 GLN E N 1 ATOM 984 C CA . GLN A 1 137 ? 40.396 18.454 21.157 1.00 10.02 ? 137 GLN E CA 1 ATOM 985 C C . GLN A 1 137 ? 39.162 19.165 20.588 1.00 10.25 ? 137 GLN E C 1 ATOM 986 O O . GLN A 1 137 ? 38.105 19.060 21.200 1.00 12.09 ? 137 GLN E O 1 ATOM 987 C CB . GLN A 1 137 ? 40.744 17.263 20.208 1.00 9.47 ? 137 GLN E CB 1 ATOM 988 C CG . GLN A 1 137 ? 41.834 16.338 20.836 1.00 7.87 ? 137 GLN E CG 1 ATOM 989 C CD . GLN A 1 137 ? 43.145 17.114 20.802 1.00 14.98 ? 137 GLN E CD 1 ATOM 990 O OE1 . GLN A 1 137 ? 43.545 17.660 19.777 1.00 15.56 ? 137 GLN E OE1 1 ATOM 991 N NE2 . GLN A 1 137 ? 43.838 17.117 21.956 1.00 15.26 ? 137 GLN E NE2 1 ATOM 992 N N . THR A 1 138 ? 39.334 19.858 19.473 1.00 9.64 ? 138 THR E N 1 ATOM 993 C CA . THR A 1 138 ? 38.216 20.567 18.843 1.00 8.31 ? 138 THR E CA 1 ATOM 994 C C . THR A 1 138 ? 37.544 19.677 17.824 1.00 9.82 ? 138 THR E C 1 ATOM 995 O O . THR A 1 138 ? 38.136 18.786 17.204 1.00 8.12 ? 138 THR E O 1 ATOM 996 C CB . THR A 1 138 ? 38.716 21.904 18.184 1.00 10.50 ? 138 THR E CB 1 ATOM 997 O OG1 . THR A 1 138 ? 39.731 21.513 17.206 1.00 12.16 ? 138 THR E OG1 1 ATOM 998 C CG2 . THR A 1 138 ? 39.349 22.817 19.244 1.00 10.46 ? 138 THR E CG2 1 ATOM 999 N N . THR A 1 139 ? 36.230 19.948 17.739 1.00 7.06 ? 139 THR E N 1 ATOM 1000 C CA . THR A 1 139 ? 35.393 19.214 16.778 1.00 8.53 ? 139 THR E CA 1 ATOM 1001 C C . THR A 1 139 ? 35.785 19.619 15.359 1.00 7.73 ? 139 THR E C 1 ATOM 1002 O O . THR A 1 139 ? 36.457 20.653 15.163 1.00 7.67 ? 139 THR E O 1 ATOM 1003 C CB . THR A 1 139 ? 33.868 19.595 17.010 1.00 9.37 ? 139 THR E CB 1 ATOM 1004 O OG1 . THR A 1 139 ? 33.793 21.044 16.708 1.00 6.04 ? 139 THR E OG1 1 ATOM 1005 C CG2 . THR A 1 139 ? 33.348 19.281 18.415 1.00 7.87 ? 139 THR E CG2 1 ATOM 1006 N N . PHE A 1 140 ? 35.344 18.842 14.372 1.00 6.89 ? 140 PHE E N 1 ATOM 1007 C CA . PHE A 1 140 ? 35.631 19.162 12.967 1.00 7.59 ? 140 PHE E CA 1 ATOM 1008 C C . PHE A 1 140 ? 35.205 20.627 12.703 1.00 9.18 ? 140 PHE E C 1 ATOM 1009 O O . PHE A 1 140 ? 35.934 21.377 12.044 1.00 8.05 ? 140 PHE E O 1 ATOM 1010 C CB . PHE A 1 140 ? 34.807 18.227 12.026 1.00 8.52 ? 140 PHE E CB 1 ATOM 1011 C CG . PHE A 1 140 ? 34.902 18.645 10.590 1.00 11.66 ? 140 PHE E CG 1 ATOM 1012 C CD1 . PHE A 1 140 ? 36.076 18.353 9.859 1.00 10.42 ? 140 PHE E CD1 1 ATOM 1013 C CD2 . PHE A 1 140 ? 33.871 19.345 9.976 1.00 11.09 ? 140 PHE E CD2 1 ATOM 1014 C CE1 . PHE A 1 140 ? 36.194 18.719 8.523 1.00 9.12 ? 140 PHE E CE1 1 ATOM 1015 C CE2 . PHE A 1 140 ? 33.949 19.734 8.628 1.00 10.36 ? 140 PHE E CE2 1 ATOM 1016 C CZ . PHE A 1 140 ? 35.130 19.420 7.935 1.00 10.06 ? 140 PHE E CZ 1 ATOM 1017 N N . PHE A 1 141 ? 34.014 20.954 13.178 1.00 6.98 ? 141 PHE E N 1 ATOM 1018 C CA . PHE A 1 141 ? 33.513 22.325 12.920 1.00 7.38 ? 141 PHE E CA 1 ATOM 1019 C C . PHE A 1 141 ? 34.408 23.412 13.537 1.00 7.13 ? 141 PHE E C 1 ATOM 1020 O O . PHE A 1 141 ? 34.688 24.437 12.917 1.00 7.13 ? 141 PHE E O 1 ATOM 1021 C CB . PHE A 1 141 ? 32.097 22.443 13.486 1.00 11.47 ? 141 PHE E CB 1 ATOM 1022 C CG . PHE A 1 141 ? 31.505 23.834 13.317 1.00 8.98 ? 141 PHE E CG 1 ATOM 1023 C CD1 . PHE A 1 141 ? 31.151 24.545 14.453 1.00 12.80 ? 141 PHE E CD1 1 ATOM 1024 C CD2 . PHE A 1 141 ? 31.368 24.374 12.039 1.00 8.59 ? 141 PHE E CD2 1 ATOM 1025 C CE1 . PHE A 1 141 ? 30.615 25.840 14.319 1.00 14.11 ? 141 PHE E CE1 1 ATOM 1026 C CE2 . PHE A 1 141 ? 30.836 25.666 11.892 1.00 9.00 ? 141 PHE E CE2 1 ATOM 1027 C CZ . PHE A 1 141 ? 30.467 26.376 13.044 1.00 12.89 ? 141 PHE E CZ 1 ATOM 1028 N N . ASP A 1 142 ? 34.778 23.200 14.795 1.00 7.32 ? 142 ASP E N 1 ATOM 1029 C CA . ASP A 1 142 ? 35.644 24.212 15.472 1.00 9.34 ? 142 ASP E CA 1 ATOM 1030 C C . ASP A 1 142 ? 36.995 24.260 14.778 1.00 9.56 ? 142 ASP E C 1 ATOM 1031 O O . ASP A 1 142 ? 37.617 25.382 14.790 1.00 10.82 ? 142 ASP E O 1 ATOM 1032 C CB . ASP A 1 142 ? 35.797 23.989 16.977 1.00 10.35 ? 142 ASP E CB 1 ATOM 1033 C CG . ASP A 1 142 ? 34.594 24.444 17.755 1.00 19.00 ? 142 ASP E CG 1 ATOM 1034 O OD1 . ASP A 1 142 ? 34.191 23.936 18.818 1.00 23.10 ? 142 ASP E OD1 1 ATOM 1035 O OD2 . ASP A 1 142 ? 33.949 25.386 17.230 1.00 20.46 ? 142 ASP E OD2 1 ATOM 1036 N N . THR A 1 143 ? 37.429 23.129 14.251 1.00 7.97 ? 143 THR E N 1 ATOM 1037 C CA . THR A 1 143 ? 38.757 23.157 13.596 1.00 9.40 ? 143 THR E CA 1 ATOM 1038 C C . THR A 1 143 ? 38.739 24.030 12.341 1.00 11.37 ? 143 THR E C 1 ATOM 1039 O O . THR A 1 143 ? 39.703 24.797 12.086 1.00 11.85 ? 143 THR E O 1 ATOM 1040 C CB . THR A 1 143 ? 39.318 21.719 13.267 1.00 8.42 ? 143 THR E CB 1 ATOM 1041 O OG1 . THR A 1 143 ? 39.368 20.967 14.525 1.00 9.38 ? 143 THR E OG1 1 ATOM 1042 C CG2 . THR A 1 143 ? 40.682 21.750 12.575 1.00 11.84 ? 143 THR E CG2 1 ATOM 1043 N N . VAL A 1 144 ? 37.671 23.952 11.570 1.00 9.87 ? 144 VAL E N 1 ATOM 1044 C CA . VAL A 1 144 ? 37.556 24.701 10.317 1.00 11.01 ? 144 VAL E CA 1 ATOM 1045 C C . VAL A 1 144 ? 36.793 26.012 10.335 1.00 10.35 ? 144 VAL E C 1 ATOM 1046 O O . VAL A 1 144 ? 36.877 26.709 9.309 1.00 12.25 ? 144 VAL E O 1 ATOM 1047 C CB . VAL A 1 144 ? 36.894 23.793 9.225 1.00 13.69 ? 144 VAL E CB 1 ATOM 1048 C CG1 . VAL A 1 144 ? 37.633 22.490 9.023 1.00 14.12 ? 144 VAL E CG1 1 ATOM 1049 C CG2 . VAL A 1 144 ? 35.399 23.562 9.468 1.00 10.86 ? 144 VAL E CG2 1 ATOM 1050 N N . LYS A 1 145 ? 36.107 26.284 11.399 1.00 11.92 ? 145 LYS E N 1 ATOM 1051 C CA . LYS A 1 145 ? 35.230 27.456 11.524 1.00 14.52 ? 145 LYS E CA 1 ATOM 1052 C C . LYS A 1 145 ? 35.809 28.777 11.001 1.00 15.86 ? 145 LYS E C 1 ATOM 1053 O O . LYS A 1 145 ? 35.099 29.512 10.284 1.00 16.73 ? 145 LYS E O 1 ATOM 1054 C CB . LYS A 1 145 ? 34.931 27.587 13.010 1.00 17.54 ? 145 LYS E CB 1 ATOM 1055 C CG . LYS A 1 145 ? 34.117 28.778 13.460 1.00 24.01 ? 145 LYS E CG 1 ATOM 1056 C CD . LYS A 1 145 ? 33.632 28.431 14.872 1.00 22.72 ? 145 LYS E CD 1 ATOM 1057 C CE . LYS A 1 145 ? 34.721 28.678 15.869 1.00 28.81 ? 145 LYS E CE 1 ATOM 1058 N NZ . LYS A 1 145 ? 34.199 28.408 17.234 1.00 32.36 ? 145 LYS E NZ 1 ATOM 1059 N N . SER A 1 146 ? 37.033 29.035 11.395 1.00 11.67 ? 146 SER E N 1 ATOM 1060 C CA . SER A 1 146 ? 37.688 30.312 10.971 1.00 17.19 ? 146 SER E CA 1 ATOM 1061 C C . SER A 1 146 ? 37.950 30.356 9.473 1.00 17.96 ? 146 SER E C 1 ATOM 1062 O O . SER A 1 146 ? 38.165 31.497 8.964 1.00 18.49 ? 146 SER E O 1 ATOM 1063 C CB . SER A 1 146 ? 38.960 30.542 11.783 1.00 19.87 ? 146 SER E CB 1 ATOM 1064 O OG . SER A 1 146 ? 40.100 29.819 11.268 1.00 30.06 ? 146 SER E OG 1 ATOM 1065 N N . SER A 1 147 ? 37.964 29.200 8.789 1.00 12.83 ? 147 SER E N 1 ATOM 1066 C CA . SER A 1 147 ? 38.215 29.250 7.357 1.00 13.42 ? 147 SER E CA 1 ATOM 1067 C C . SER A 1 147 ? 36.890 29.326 6.563 1.00 12.88 ? 147 SER E C 1 ATOM 1068 O O . SER A 1 147 ? 36.926 29.636 5.354 1.00 13.36 ? 147 SER E O 1 ATOM 1069 C CB . SER A 1 147 ? 39.098 28.094 6.889 1.00 20.38 ? 147 SER E CB 1 ATOM 1070 O OG . SER A 1 147 ? 38.309 26.912 6.917 1.00 29.28 ? 147 SER E OG 1 ATOM 1071 N N . LEU A 1 148 ? 35.757 29.087 7.227 1.00 10.79 ? 148 LEU E N 1 ATOM 1072 C CA . LEU A 1 148 ? 34.490 29.157 6.484 1.00 9.51 ? 148 LEU E CA 1 ATOM 1073 C C . LEU A 1 148 ? 34.107 30.614 6.185 1.00 11.48 ? 148 LEU E C 1 ATOM 1074 O O . LEU A 1 148 ? 34.472 31.531 6.923 1.00 12.03 ? 148 LEU E O 1 ATOM 1075 C CB . LEU A 1 148 ? 33.428 28.470 7.392 1.00 7.72 ? 148 LEU E CB 1 ATOM 1076 C CG . LEU A 1 148 ? 33.648 27.009 7.661 1.00 7.47 ? 148 LEU E CG 1 ATOM 1077 C CD1 . LEU A 1 148 ? 32.595 26.470 8.634 1.00 9.14 ? 148 LEU E CD1 1 ATOM 1078 C CD2 . LEU A 1 148 ? 33.598 26.201 6.346 1.00 9.05 ? 148 LEU E CD2 1 ATOM 1079 N N . ALA A 1 149 ? 33.314 30.813 5.153 1.00 9.86 ? 149 ALA E N 1 ATOM 1080 C CA . ALA A 1 149 ? 32.775 32.120 4.774 1.00 13.58 ? 149 ALA E CA 1 ATOM 1081 C C . ALA A 1 149 ? 31.977 32.686 5.956 1.00 14.41 ? 149 ALA E C 1 ATOM 1082 O O . ALA A 1 149 ? 31.997 33.907 6.256 1.00 14.23 ? 149 ALA E O 1 ATOM 1083 C CB . ALA A 1 149 ? 31.886 31.948 3.530 1.00 12.49 ? 149 ALA E CB 1 ATOM 1084 N N . GLN A 1 150 ? 31.199 31.849 6.658 1.00 10.12 ? 150 GLN E N 1 ATOM 1085 C CA . GLN A 1 150 ? 30.406 32.182 7.844 1.00 10.89 ? 150 GLN E CA 1 ATOM 1086 C C . GLN A 1 150 ? 30.614 31.022 8.836 1.00 10.83 ? 150 GLN E C 1 ATOM 1087 O O . GLN A 1 150 ? 30.619 29.909 8.353 1.00 9.52 ? 150 GLN E O 1 ATOM 1088 C CB . GLN A 1 150 ? 28.898 32.298 7.600 1.00 14.21 ? 150 GLN E CB 1 ATOM 1089 C CG . GLN A 1 150 ? 28.708 33.506 6.657 1.00 24.50 ? 150 GLN E CG 1 ATOM 1090 C CD . GLN A 1 150 ? 27.231 33.729 6.461 1.00 31.19 ? 150 GLN E CD 1 ATOM 1091 O OE1 . GLN A 1 150 ? 26.634 34.490 7.224 1.00 38.23 ? 150 GLN E OE1 1 ATOM 1092 N NE2 . GLN A 1 150 ? 26.711 33.034 5.450 1.00 34.40 ? 150 GLN E NE2 1 ATOM 1093 N N . PRO A 1 151 ? 30.788 31.328 10.105 1.00 11.63 ? 151 PRO E N 1 ATOM 1094 C CA . PRO A 1 151 ? 31.050 30.294 11.134 1.00 9.91 ? 151 PRO E CA 1 ATOM 1095 C C . PRO A 1 151 ? 29.768 29.625 11.629 1.00 8.04 ? 151 PRO E C 1 ATOM 1096 O O . PRO A 1 151 ? 29.335 29.773 12.770 1.00 10.24 ? 151 PRO E O 1 ATOM 1097 C CB . PRO A 1 151 ? 31.831 31.096 12.176 1.00 11.03 ? 151 PRO E CB 1 ATOM 1098 C CG . PRO A 1 151 ? 31.081 32.393 12.174 1.00 10.87 ? 151 PRO E CG 1 ATOM 1099 C CD . PRO A 1 151 ? 30.803 32.688 10.677 1.00 12.24 ? 151 PRO E CD 1 ATOM 1100 N N . LEU A 1 152 ? 29.169 28.902 10.718 1.00 6.31 ? 152 LEU E N 1 ATOM 1101 C CA . LEU A 1 152 ? 27.901 28.198 10.979 1.00 7.22 ? 152 LEU E CA 1 ATOM 1102 C C . LEU A 1 152 ? 27.808 26.961 10.078 1.00 3.91 ? 152 LEU E C 1 ATOM 1103 O O . LEU A 1 152 ? 28.573 26.826 9.118 1.00 5.70 ? 152 LEU E O 1 ATOM 1104 C CB . LEU A 1 152 ? 26.741 29.205 10.683 1.00 7.65 ? 152 LEU E CB 1 ATOM 1105 C CG . LEU A 1 152 ? 26.628 29.693 9.232 1.00 10.59 ? 152 LEU E CG 1 ATOM 1106 C CD1 . LEU A 1 152 ? 25.801 28.759 8.329 1.00 6.18 ? 152 LEU E CD1 1 ATOM 1107 C CD2 . LEU A 1 152 ? 25.904 31.062 9.286 1.00 8.74 ? 152 LEU E CD2 1 ATOM 1108 N N . PHE A 1 153 ? 26.892 26.099 10.449 1.00 6.24 ? 153 PHE E N 1 ATOM 1109 C CA . PHE A 1 153 ? 26.554 24.903 9.637 1.00 6.68 ? 153 PHE E CA 1 ATOM 1110 C C . PHE A 1 153 ? 24.995 24.908 9.672 1.00 9.39 ? 153 PHE E C 1 ATOM 1111 O O . PHE A 1 153 ? 24.367 25.487 10.592 1.00 10.27 ? 153 PHE E O 1 ATOM 1112 C CB . PHE A 1 153 ? 27.251 23.603 9.972 1.00 6.40 ? 153 PHE E CB 1 ATOM 1113 C CG . PHE A 1 153 ? 26.954 23.098 11.363 1.00 7.95 ? 153 PHE E CG 1 ATOM 1114 C CD1 . PHE A 1 153 ? 27.758 23.478 12.441 1.00 9.21 ? 153 PHE E CD1 1 ATOM 1115 C CD2 . PHE A 1 153 ? 25.877 22.224 11.521 1.00 4.36 ? 153 PHE E CD2 1 ATOM 1116 C CE1 . PHE A 1 153 ? 27.491 22.987 13.725 1.00 7.81 ? 153 PHE E CE1 1 ATOM 1117 C CE2 . PHE A 1 153 ? 25.628 21.739 12.823 1.00 5.60 ? 153 PHE E CE2 1 ATOM 1118 C CZ . PHE A 1 153 ? 26.398 22.117 13.948 1.00 10.72 ? 153 PHE E CZ 1 ATOM 1119 N N . ALA A 1 154 ? 24.412 24.253 8.677 1.00 7.89 ? 154 ALA E N 1 ATOM 1120 C CA . ALA A 1 154 ? 22.920 24.217 8.619 1.00 11.30 ? 154 ALA E CA 1 ATOM 1121 C C . ALA A 1 154 ? 22.509 22.800 8.227 1.00 8.37 ? 154 ALA E C 1 ATOM 1122 O O . ALA A 1 154 ? 23.332 22.125 7.577 1.00 10.00 ? 154 ALA E O 1 ATOM 1123 C CB . ALA A 1 154 ? 22.362 25.256 7.662 1.00 8.92 ? 154 ALA E CB 1 ATOM 1124 N N . VAL A 1 155 ? 21.300 22.410 8.652 1.00 7.29 ? 155 VAL E N 1 ATOM 1125 C CA . VAL A 1 155 ? 20.915 21.032 8.300 1.00 7.12 ? 155 VAL E CA 1 ATOM 1126 C C . VAL A 1 155 ? 19.438 20.905 7.908 1.00 6.97 ? 155 VAL E C 1 ATOM 1127 O O . VAL A 1 155 ? 18.568 21.592 8.456 1.00 7.08 ? 155 VAL E O 1 ATOM 1128 C CB . VAL A 1 155 ? 21.230 20.091 9.489 1.00 13.81 ? 155 VAL E CB 1 ATOM 1129 C CG1 . VAL A 1 155 ? 20.499 20.403 10.763 1.00 18.87 ? 155 VAL E CG1 1 ATOM 1130 C CG2 . VAL A 1 155 ? 20.921 18.620 9.213 1.00 14.55 ? 155 VAL E CG2 1 ATOM 1131 N N . ALA A 1 156 ? 19.314 20.088 6.886 1.00 5.49 ? 156 ALA E N 1 ATOM 1132 C CA . ALA A 1 156 ? 18.001 19.691 6.376 1.00 6.40 ? 156 ALA E CA 1 ATOM 1133 C C . ALA A 1 156 ? 18.008 18.151 6.406 1.00 8.39 ? 156 ALA E C 1 ATOM 1134 O O . ALA A 1 156 ? 18.637 17.492 5.547 1.00 10.54 ? 156 ALA E O 1 ATOM 1135 C CB . ALA A 1 156 ? 17.715 20.237 4.983 1.00 5.94 ? 156 ALA E CB 1 ATOM 1136 N N . LEU A 1 157 ? 17.351 17.554 7.371 1.00 6.97 ? 157 LEU E N 1 ATOM 1137 C CA . LEU A 1 157 ? 17.148 16.123 7.505 1.00 5.94 ? 157 LEU E CA 1 ATOM 1138 C C . LEU A 1 157 ? 15.745 15.858 6.906 1.00 6.74 ? 157 LEU E C 1 ATOM 1139 O O . LEU A 1 157 ? 14.763 16.558 7.250 1.00 8.89 ? 157 LEU E O 1 ATOM 1140 C CB . LEU A 1 157 ? 17.221 15.592 8.932 1.00 5.00 ? 157 LEU E CB 1 ATOM 1141 C CG . LEU A 1 157 ? 18.484 15.836 9.725 1.00 7.74 ? 157 LEU E CG 1 ATOM 1142 C CD1 . LEU A 1 157 ? 18.302 15.038 11.043 1.00 7.57 ? 157 LEU E CD1 1 ATOM 1143 C CD2 . LEU A 1 157 ? 19.714 15.390 8.943 1.00 7.91 ? 157 LEU E CD2 1 ATOM 1144 N N . LYS A 1 158 ? 15.618 14.861 6.051 1.00 9.47 ? 158 LYS E N 1 ATOM 1145 C CA . LYS A 1 158 ? 14.336 14.531 5.406 1.00 9.94 ? 158 LYS E CA 1 ATOM 1146 C C . LYS A 1 158 ? 13.842 13.143 5.715 1.00 11.80 ? 158 LYS E C 1 ATOM 1147 O O . LYS A 1 158 ? 14.592 12.274 6.193 1.00 11.63 ? 158 LYS E O 1 ATOM 1148 C CB . LYS A 1 158 ? 14.539 14.664 3.899 1.00 10.07 ? 158 LYS E CB 1 ATOM 1149 C CG . LYS A 1 158 ? 14.943 16.132 3.613 1.00 11.67 ? 158 LYS E CG 1 ATOM 1150 C CD . LYS A 1 158 ? 14.778 16.329 2.103 1.00 23.38 ? 158 LYS E CD 1 ATOM 1151 C CE . LYS A 1 158 ? 15.446 17.650 1.727 1.00 29.30 ? 158 LYS E CE 1 ATOM 1152 N NZ . LYS A 1 158 ? 14.444 18.728 2.008 1.00 36.55 ? 158 LYS E NZ 1 ATOM 1153 N N . HIS A 1 159 ? 12.546 12.964 5.456 1.00 8.95 ? 159 HIS E N 1 ATOM 1154 C CA . HIS A 1 159 ? 11.925 11.634 5.683 1.00 9.04 ? 159 HIS E CA 1 ATOM 1155 C C . HIS A 1 159 ? 12.158 10.779 4.429 1.00 9.90 ? 159 HIS E C 1 ATOM 1156 O O . HIS A 1 159 ? 11.671 11.073 3.295 1.00 10.38 ? 159 HIS E O 1 ATOM 1157 C CB . HIS A 1 159 ? 10.425 11.825 6.003 1.00 12.24 ? 159 HIS E CB 1 ATOM 1158 C CG . HIS A 1 159 ? 9.801 10.476 6.153 1.00 12.25 ? 159 HIS E CG 1 ATOM 1159 N ND1 . HIS A 1 159 ? 10.299 9.469 6.898 1.00 12.91 ? 159 HIS E ND1 1 ATOM 1160 C CD2 . HIS A 1 159 ? 8.640 10.019 5.560 1.00 15.29 ? 159 HIS E CD2 1 ATOM 1161 C CE1 . HIS A 1 159 ? 9.507 8.405 6.817 1.00 19.38 ? 159 HIS E CE1 1 ATOM 1162 N NE2 . HIS A 1 159 ? 8.497 8.714 6.002 1.00 21.19 ? 159 HIS E NE2 1 ATOM 1163 N N . GLN A 1 160 ? 12.947 9.738 4.597 1.00 10.99 ? 160 GLN E N 1 ATOM 1164 C CA . GLN A 1 160 ? 13.275 8.815 3.499 1.00 12.85 ? 160 GLN E CA 1 ATOM 1165 C C . GLN A 1 160 ? 13.628 9.454 2.169 1.00 14.64 ? 160 GLN E C 1 ATOM 1166 O O . GLN A 1 160 ? 13.214 9.055 1.045 1.00 15.35 ? 160 GLN E O 1 ATOM 1167 C CB . GLN A 1 160 ? 12.148 7.734 3.445 1.00 16.39 ? 160 GLN E CB 1 ATOM 1168 C CG . GLN A 1 160 ? 12.222 7.034 4.822 1.00 26.90 ? 160 GLN E CG 1 ATOM 1169 C CD . GLN A 1 160 ? 13.418 6.088 4.947 1.00 32.55 ? 160 GLN E CD 1 ATOM 1170 O OE1 . GLN A 1 160 ? 13.282 5.048 4.267 1.00 37.97 ? 160 GLN E OE1 1 ATOM 1171 N NE2 . GLN A 1 160 ? 14.515 6.311 5.679 1.00 19.41 ? 160 GLN E NE2 1 ATOM 1172 N N . GLN A 1 161 ? 14.497 10.445 2.205 1.00 13.16 ? 161 GLN E N 1 ATOM 1173 C CA . GLN A 1 161 ? 15.065 11.202 1.118 1.00 11.31 ? 161 GLN E CA 1 ATOM 1174 C C . GLN A 1 161 ? 16.427 11.774 1.635 1.00 10.63 ? 161 GLN E C 1 ATOM 1175 O O . GLN A 1 161 ? 16.597 12.035 2.833 1.00 9.74 ? 161 GLN E O 1 ATOM 1176 C CB . GLN A 1 161 ? 14.300 12.430 0.656 1.00 17.57 ? 161 GLN E CB 1 ATOM 1177 C CG . GLN A 1 161 ? 12.852 12.200 0.286 1.00 28.48 ? 161 GLN E CG 1 ATOM 1178 C CD . GLN A 1 161 ? 12.104 13.515 0.506 1.00 38.91 ? 161 GLN E CD 1 ATOM 1179 O OE1 . GLN A 1 161 ? 12.398 14.485 -0.206 1.00 42.71 ? 161 GLN E OE1 1 ATOM 1180 N NE2 . GLN A 1 161 ? 11.203 13.523 1.494 1.00 44.07 ? 161 GLN E NE2 1 ATOM 1181 N N . PRO A 1 162 ? 17.316 11.979 0.680 1.00 14.00 ? 162 PRO E N 1 ATOM 1182 C CA . PRO A 1 162 ? 18.658 12.523 0.947 1.00 11.99 ? 162 PRO E CA 1 ATOM 1183 C C . PRO A 1 162 ? 18.448 13.959 1.443 1.00 12.25 ? 162 PRO E C 1 ATOM 1184 O O . PRO A 1 162 ? 17.487 14.637 0.963 1.00 10.03 ? 162 PRO E O 1 ATOM 1185 C CB . PRO A 1 162 ? 19.386 12.471 -0.395 1.00 14.91 ? 162 PRO E CB 1 ATOM 1186 C CG . PRO A 1 162 ? 18.577 11.529 -1.242 1.00 16.54 ? 162 PRO E CG 1 ATOM 1187 C CD . PRO A 1 162 ? 17.150 11.699 -0.775 1.00 13.70 ? 162 PRO E CD 1 ATOM 1188 N N . GLY A 1 163 ? 19.292 14.382 2.354 1.00 7.06 ? 163 GLY E N 1 ATOM 1189 C CA . GLY A 1 163 ? 19.204 15.726 2.946 1.00 7.18 ? 163 GLY E CA 1 ATOM 1190 C C . GLY A 1 163 ? 20.614 16.324 2.839 1.00 6.91 ? 163 GLY E C 1 ATOM 1191 O O . GLY A 1 163 ? 21.478 15.805 2.134 1.00 7.40 ? 163 GLY E O 1 ATOM 1192 N N . VAL A 1 164 ? 20.818 17.454 3.512 1.00 7.11 ? 164 VAL E N 1 ATOM 1193 C CA . VAL A 1 164 ? 22.138 18.059 3.403 1.00 7.28 ? 164 VAL E CA 1 ATOM 1194 C C . VAL A 1 164 ? 22.575 18.629 4.760 1.00 8.39 ? 164 VAL E C 1 ATOM 1195 O O . VAL A 1 164 ? 21.728 18.931 5.609 1.00 8.41 ? 164 VAL E O 1 ATOM 1196 C CB . VAL A 1 164 ? 22.161 19.249 2.370 1.00 7.98 ? 164 VAL E CB 1 ATOM 1197 C CG1 . VAL A 1 164 ? 21.901 18.904 0.915 1.00 8.41 ? 164 VAL E CG1 1 ATOM 1198 C CG2 . VAL A 1 164 ? 21.229 20.412 2.713 1.00 8.23 ? 164 VAL E CG2 1 ATOM 1199 N N . TYR A 1 165 ? 23.891 18.752 4.784 1.00 8.18 ? 165 TYR E N 1 ATOM 1200 C CA . TYR A 1 165 ? 24.594 19.466 5.846 1.00 8.99 ? 165 TYR E CA 1 ATOM 1201 C C . TYR A 1 165 ? 25.251 20.645 5.055 1.00 6.92 ? 165 TYR E C 1 ATOM 1202 O O . TYR A 1 165 ? 26.138 20.357 4.197 1.00 8.44 ? 165 TYR E O 1 ATOM 1203 C CB . TYR A 1 165 ? 25.676 18.766 6.683 1.00 7.84 ? 165 TYR E CB 1 ATOM 1204 C CG . TYR A 1 165 ? 25.037 17.907 7.765 1.00 6.09 ? 165 TYR E CG 1 ATOM 1205 C CD1 . TYR A 1 165 ? 24.743 16.565 7.572 1.00 13.28 ? 165 TYR E CD1 1 ATOM 1206 C CD2 . TYR A 1 165 ? 24.760 18.516 8.981 1.00 12.39 ? 165 TYR E CD2 1 ATOM 1207 C CE1 . TYR A 1 165 ? 24.142 15.817 8.601 1.00 10.67 ? 165 TYR E CE1 1 ATOM 1208 C CE2 . TYR A 1 165 ? 24.189 17.758 10.023 1.00 15.01 ? 165 TYR E CE2 1 ATOM 1209 C CZ . TYR A 1 165 ? 23.866 16.430 9.817 1.00 14.51 ? 165 TYR E CZ 1 ATOM 1210 O OH . TYR A 1 165 ? 23.299 15.769 10.877 1.00 13.14 ? 165 TYR E OH 1 ATOM 1211 N N . ASP A 1 166 ? 24.844 21.876 5.296 1.00 4.79 ? 166 ASP E N 1 ATOM 1212 C CA . ASP A 1 166 ? 25.528 22.993 4.579 1.00 7.35 ? 166 ASP E CA 1 ATOM 1213 C C . ASP A 1 166 ? 26.633 23.518 5.504 1.00 9.51 ? 166 ASP E C 1 ATOM 1214 O O . ASP A 1 166 ? 26.296 23.933 6.635 1.00 9.25 ? 166 ASP E O 1 ATOM 1215 C CB . ASP A 1 166 ? 24.563 24.129 4.259 1.00 6.08 ? 166 ASP E CB 1 ATOM 1216 C CG . ASP A 1 166 ? 23.570 23.723 3.164 1.00 12.89 ? 166 ASP E CG 1 ATOM 1217 O OD1 . ASP A 1 166 ? 22.400 24.083 3.337 1.00 12.32 ? 166 ASP E OD1 1 ATOM 1218 O OD2 . ASP A 1 166 ? 23.969 23.092 2.192 1.00 8.78 ? 166 ASP E OD2 1 ATOM 1219 N N . PHE A 1 167 ? 27.896 23.574 5.070 1.00 8.65 ? 167 PHE E N 1 ATOM 1220 C CA . PHE A 1 167 ? 28.890 24.164 6.003 1.00 7.32 ? 167 PHE E CA 1 ATOM 1221 C C . PHE A 1 167 ? 29.342 25.560 5.569 1.00 7.23 ? 167 PHE E C 1 ATOM 1222 O O . PHE A 1 167 ? 29.800 25.681 4.412 1.00 8.92 ? 167 PHE E O 1 ATOM 1223 C CB . PHE A 1 167 ? 30.119 23.209 6.052 1.00 6.98 ? 167 PHE E CB 1 ATOM 1224 C CG . PHE A 1 167 ? 29.844 22.047 7.000 1.00 8.30 ? 167 PHE E CG 1 ATOM 1225 C CD1 . PHE A 1 167 ? 29.331 20.850 6.449 1.00 13.15 ? 167 PHE E CD1 1 ATOM 1226 C CD2 . PHE A 1 167 ? 30.113 22.160 8.346 1.00 11.71 ? 167 PHE E CD2 1 ATOM 1227 C CE1 . PHE A 1 167 ? 29.048 19.771 7.273 1.00 12.27 ? 167 PHE E CE1 1 ATOM 1228 C CE2 . PHE A 1 167 ? 29.858 21.079 9.196 1.00 15.96 ? 167 PHE E CE2 1 ATOM 1229 C CZ . PHE A 1 167 ? 29.336 19.900 8.635 1.00 13.10 ? 167 PHE E CZ 1 ATOM 1230 N N . GLY A 1 168 ? 29.308 26.590 6.390 1.00 8.22 ? 168 GLY E N 1 ATOM 1231 C CA . GLY A 1 168 ? 29.780 27.916 6.063 1.00 9.54 ? 168 GLY E CA 1 ATOM 1232 C C . GLY A 1 168 ? 28.857 28.817 5.247 1.00 9.52 ? 168 GLY E C 1 ATOM 1233 O O . GLY A 1 168 ? 29.330 29.928 4.906 1.00 12.63 ? 168 GLY E O 1 ATOM 1234 N N . PHE A 1 169 ? 27.646 28.357 4.969 1.00 8.06 ? 169 PHE E N 1 ATOM 1235 C CA . PHE A 1 169 ? 26.706 29.169 4.201 1.00 8.78 ? 169 PHE E CA 1 ATOM 1236 C C . PHE A 1 169 ? 25.292 28.623 4.455 1.00 9.76 ? 169 PHE E C 1 ATOM 1237 O O . PHE A 1 169 ? 25.077 27.487 4.903 1.00 10.44 ? 169 PHE E O 1 ATOM 1238 C CB . PHE A 1 169 ? 27.031 29.215 2.686 1.00 9.19 ? 169 PHE E CB 1 ATOM 1239 C CG . PHE A 1 169 ? 26.564 27.983 1.941 1.00 11.79 ? 169 PHE E CG 1 ATOM 1240 C CD1 . PHE A 1 169 ? 27.156 26.753 2.169 1.00 8.61 ? 169 PHE E CD1 1 ATOM 1241 C CD2 . PHE A 1 169 ? 25.543 28.087 0.994 1.00 12.33 ? 169 PHE E CD2 1 ATOM 1242 C CE1 . PHE A 1 169 ? 26.749 25.631 1.495 1.00 9.76 ? 169 PHE E CE1 1 ATOM 1243 C CE2 . PHE A 1 169 ? 25.089 26.959 0.293 1.00 12.34 ? 169 PHE E CE2 1 ATOM 1244 C CZ . PHE A 1 169 ? 25.718 25.718 0.549 1.00 15.12 ? 169 PHE E CZ 1 ATOM 1245 N N . ILE A 1 170 ? 24.358 29.527 4.147 1.00 7.47 ? 170 ILE E N 1 ATOM 1246 C CA . ILE A 1 170 ? 22.928 29.154 4.322 1.00 9.08 ? 170 ILE E CA 1 ATOM 1247 C C . ILE A 1 170 ? 22.309 28.999 2.914 1.00 9.49 ? 170 ILE E C 1 ATOM 1248 O O . ILE A 1 170 ? 22.521 29.908 2.091 1.00 10.15 ? 170 ILE E O 1 ATOM 1249 C CB . ILE A 1 170 ? 22.130 30.230 5.083 1.00 12.35 ? 170 ILE E CB 1 ATOM 1250 C CG1 . ILE A 1 170 ? 22.617 30.179 6.558 1.00 15.11 ? 170 ILE E CG1 1 ATOM 1251 C CG2 . ILE A 1 170 ? 20.584 30.062 5.039 1.00 14.25 ? 170 ILE E CG2 1 ATOM 1252 C CD1 . ILE A 1 170 ? 22.347 31.493 7.295 1.00 15.84 ? 170 ILE E CD1 1 ATOM 1253 N N . ASP A 1 171 ? 21.567 27.928 2.722 1.00 8.40 ? 171 ASP E N 1 ATOM 1254 C CA . ASP A 1 171 ? 20.933 27.741 1.403 1.00 10.14 ? 171 ASP E CA 1 ATOM 1255 C C . ASP A 1 171 ? 19.471 28.176 1.610 1.00 8.27 ? 171 ASP E C 1 ATOM 1256 O O . ASP A 1 171 ? 18.720 27.380 2.175 1.00 8.78 ? 171 ASP E O 1 ATOM 1257 C CB . ASP A 1 171 ? 21.148 26.327 0.925 1.00 11.06 ? 171 ASP E CB 1 ATOM 1258 C CG . ASP A 1 171 ? 20.504 25.975 -0.404 1.00 10.90 ? 171 ASP E CG 1 ATOM 1259 O OD1 . ASP A 1 171 ? 20.710 24.853 -0.940 1.00 10.60 ? 171 ASP E OD1 1 ATOM 1260 O OD2 . ASP A 1 171 ? 19.741 26.814 -0.935 1.00 8.81 ? 171 ASP E OD2 1 ATOM 1261 N N . SER A 1 172 ? 19.149 29.376 1.113 1.00 10.60 ? 172 SER E N 1 ATOM 1262 C CA . SER A 1 172 ? 17.779 29.875 1.273 1.00 8.91 ? 172 SER E CA 1 ATOM 1263 C C . SER A 1 172 ? 16.741 29.072 0.514 1.00 9.30 ? 172 SER E C 1 ATOM 1264 O O . SER A 1 172 ? 15.510 29.263 0.808 1.00 9.78 ? 172 SER E O 1 ATOM 1265 C CB . SER A 1 172 ? 17.732 31.355 0.780 1.00 12.98 ? 172 SER E CB 1 ATOM 1266 O OG . SER A 1 172 ? 18.505 31.986 1.824 1.00 18.58 ? 172 SER E OG 1 ATOM 1267 N N . SER A 1 173 ? 17.160 28.266 -0.442 1.00 8.10 ? 173 SER E N 1 ATOM 1268 C CA . SER A 1 173 ? 16.119 27.479 -1.171 1.00 8.72 ? 173 SER E CA 1 ATOM 1269 C C . SER A 1 173 ? 15.660 26.306 -0.330 1.00 11.73 ? 173 SER E C 1 ATOM 1270 O O . SER A 1 173 ? 14.696 25.607 -0.771 1.00 11.31 ? 173 SER E O 1 ATOM 1271 C CB . SER A 1 173 ? 16.691 27.044 -2.519 1.00 7.74 ? 173 SER E CB 1 ATOM 1272 O OG . SER A 1 173 ? 17.581 25.938 -2.295 1.00 9.93 ? 173 SER E OG 1 ATOM 1273 N N . LYS A 1 174 ? 16.308 26.061 0.825 1.00 8.19 ? 174 LYS E N 1 ATOM 1274 C CA . LYS A 1 174 ? 15.953 24.891 1.659 1.00 9.24 ? 174 LYS E CA 1 ATOM 1275 C C . LYS A 1 174 ? 14.813 25.127 2.639 1.00 9.38 ? 174 LYS E C 1 ATOM 1276 O O . LYS A 1 174 ? 14.322 24.197 3.342 1.00 11.47 ? 174 LYS E O 1 ATOM 1277 C CB . LYS A 1 174 ? 17.183 24.346 2.414 1.00 12.34 ? 174 LYS E CB 1 ATOM 1278 C CG . LYS A 1 174 ? 18.346 23.890 1.479 1.00 11.05 ? 174 LYS E CG 1 ATOM 1279 C CD . LYS A 1 174 ? 17.779 22.586 0.925 1.00 17.35 ? 174 LYS E CD 1 ATOM 1280 C CE . LYS A 1 174 ? 18.629 21.803 -0.011 1.00 20.58 ? 174 LYS E CE 1 ATOM 1281 N NZ . LYS A 1 174 ? 18.908 22.585 -1.246 1.00 22.31 ? 174 LYS E NZ 1 ATOM 1282 N N . TYR A 1 175 ? 14.363 26.396 2.641 1.00 8.02 ? 175 TYR E N 1 ATOM 1283 C CA . TYR A 1 175 ? 13.246 26.722 3.571 1.00 8.81 ? 175 TYR E CA 1 ATOM 1284 C C . TYR A 1 175 ? 12.349 27.788 2.943 1.00 8.82 ? 175 TYR E C 1 ATOM 1285 O O . TYR A 1 175 ? 12.674 28.432 1.944 1.00 10.80 ? 175 TYR E O 1 ATOM 1286 C CB . TYR A 1 175 ? 13.763 27.163 4.961 1.00 6.26 ? 175 TYR E CB 1 ATOM 1287 C CG . TYR A 1 175 ? 14.693 28.360 4.915 1.00 8.95 ? 175 TYR E CG 1 ATOM 1288 C CD1 . TYR A 1 175 ? 16.072 28.182 4.732 1.00 10.07 ? 175 TYR E CD1 1 ATOM 1289 C CD2 . TYR A 1 175 ? 14.211 29.660 5.024 1.00 7.69 ? 175 TYR E CD2 1 ATOM 1290 C CE1 . TYR A 1 175 ? 16.936 29.294 4.687 1.00 11.02 ? 175 TYR E CE1 1 ATOM 1291 C CE2 . TYR A 1 175 ? 15.039 30.786 4.981 1.00 7.83 ? 175 TYR E CE2 1 ATOM 1292 C CZ . TYR A 1 175 ? 16.405 30.580 4.829 1.00 13.40 ? 175 TYR E CZ 1 ATOM 1293 O OH . TYR A 1 175 ? 17.212 31.682 4.786 1.00 15.21 ? 175 TYR E OH 1 ATOM 1294 N N . THR A 1 176 ? 11.197 27.894 3.612 1.00 10.83 ? 176 THR E N 1 ATOM 1295 C CA . THR A 1 176 ? 10.172 28.854 3.210 1.00 10.28 ? 176 THR E CA 1 ATOM 1296 C C . THR A 1 176 ? 10.253 30.035 4.171 1.00 12.28 ? 176 THR E C 1 ATOM 1297 O O . THR A 1 176 ? 10.428 29.877 5.418 1.00 10.98 ? 176 THR E O 1 ATOM 1298 C CB . THR A 1 176 ? 8.760 28.137 3.425 1.00 17.18 ? 176 THR E CB 1 ATOM 1299 O OG1 . THR A 1 176 ? 8.636 26.987 2.540 1.00 21.46 ? 176 THR E OG1 1 ATOM 1300 C CG2 . THR A 1 176 ? 7.604 29.112 3.154 1.00 24.20 ? 176 THR E CG2 1 ATOM 1301 N N . GLY A 1 177 ? 10.078 31.238 3.594 1.00 11.78 ? 177 GLY E N 1 ATOM 1302 C CA . GLY A 1 177 ? 10.092 32.444 4.449 1.00 15.24 ? 177 GLY E CA 1 ATOM 1303 C C . GLY A 1 177 ? 11.510 32.834 4.900 1.00 14.36 ? 177 GLY E C 1 ATOM 1304 O O . GLY A 1 177 ? 12.523 32.540 4.250 1.00 16.57 ? 177 GLY E O 1 ATOM 1305 N N . SER A 1 178 ? 11.505 33.468 6.073 1.00 15.19 ? 178 SER E N 1 ATOM 1306 C CA . SER A 1 178 ? 12.766 33.926 6.676 1.00 14.48 ? 178 SER E CA 1 ATOM 1307 C C . SER A 1 178 ? 13.087 33.121 7.942 1.00 12.79 ? 178 SER E C 1 ATOM 1308 O O . SER A 1 178 ? 12.186 32.578 8.564 1.00 12.91 ? 178 SER E O 1 ATOM 1309 C CB . SER A 1 178 ? 12.586 35.391 7.128 1.00 19.40 ? 178 SER E CB 1 ATOM 1310 O OG . SER A 1 178 ? 12.296 36.166 5.986 1.00 30.20 ? 178 SER E OG 1 ATOM 1311 N N . LEU A 1 179 ? 14.385 33.100 8.302 1.00 11.97 ? 179 LEU E N 1 ATOM 1312 C CA . LEU A 1 179 ? 14.757 32.353 9.526 1.00 10.41 ? 179 LEU E CA 1 ATOM 1313 C C . LEU A 1 179 ? 14.453 33.177 10.783 1.00 11.62 ? 179 LEU E C 1 ATOM 1314 O O . LEU A 1 179 ? 14.542 34.418 10.719 1.00 12.56 ? 179 LEU E O 1 ATOM 1315 C CB . LEU A 1 179 ? 16.278 32.100 9.452 1.00 9.75 ? 179 LEU E CB 1 ATOM 1316 C CG . LEU A 1 179 ? 16.762 31.062 8.451 1.00 12.49 ? 179 LEU E CG 1 ATOM 1317 C CD1 . LEU A 1 179 ? 18.246 31.337 8.207 1.00 13.84 ? 179 LEU E CD1 1 ATOM 1318 C CD2 . LEU A 1 179 ? 16.584 29.666 9.049 1.00 15.10 ? 179 LEU E CD2 1 ATOM 1319 N N . THR A 1 180 ? 14.160 32.472 11.849 1.00 10.06 ? 180 THR E N 1 ATOM 1320 C CA . THR A 1 180 ? 13.939 33.125 13.160 1.00 11.81 ? 180 THR E CA 1 ATOM 1321 C C . THR A 1 180 ? 15.090 32.644 14.063 1.00 10.48 ? 180 THR E C 1 ATOM 1322 O O . THR A 1 180 ? 15.235 31.407 14.072 1.00 10.27 ? 180 THR E O 1 ATOM 1323 C CB . THR A 1 180 ? 12.570 32.866 13.870 1.00 12.79 ? 180 THR E CB 1 ATOM 1324 O OG1 . THR A 1 180 ? 11.576 33.299 12.886 1.00 12.10 ? 180 THR E OG1 1 ATOM 1325 C CG2 . THR A 1 180 ? 12.484 33.626 15.199 1.00 14.42 ? 180 THR E CG2 1 ATOM 1326 N N . TYR A 1 181 ? 15.790 33.571 14.704 1.00 9.08 ? 181 TYR E N 1 ATOM 1327 C CA . TYR A 1 181 ? 16.878 33.074 15.567 1.00 9.69 ? 181 TYR E CA 1 ATOM 1328 C C . TYR A 1 181 ? 16.516 33.130 17.051 1.00 10.45 ? 181 TYR E C 1 ATOM 1329 O O . TYR A 1 181 ? 15.719 33.993 17.436 1.00 8.00 ? 181 TYR E O 1 ATOM 1330 C CB . TYR A 1 181 ? 18.157 33.906 15.369 1.00 9.35 ? 181 TYR E CB 1 ATOM 1331 C CG . TYR A 1 181 ? 18.778 33.612 14.019 1.00 13.80 ? 181 TYR E CG 1 ATOM 1332 C CD1 . TYR A 1 181 ? 18.374 34.300 12.851 1.00 15.00 ? 181 TYR E CD1 1 ATOM 1333 C CD2 . TYR A 1 181 ? 19.774 32.646 13.930 1.00 12.92 ? 181 TYR E CD2 1 ATOM 1334 C CE1 . TYR A 1 181 ? 18.967 34.033 11.623 1.00 16.71 ? 181 TYR E CE1 1 ATOM 1335 C CE2 . TYR A 1 181 ? 20.392 32.400 12.694 1.00 17.23 ? 181 TYR E CE2 1 ATOM 1336 C CZ . TYR A 1 181 ? 19.978 33.086 11.572 1.00 16.25 ? 181 TYR E CZ 1 ATOM 1337 O OH . TYR A 1 181 ? 20.638 32.768 10.416 1.00 18.95 ? 181 TYR E OH 1 ATOM 1338 N N . THR A 1 182 ? 17.150 32.214 17.788 1.00 6.78 ? 182 THR E N 1 ATOM 1339 C CA . THR A 1 182 ? 16.939 32.208 19.245 1.00 7.77 ? 182 THR E CA 1 ATOM 1340 C C . THR A 1 182 ? 18.330 32.033 19.899 1.00 11.19 ? 182 THR E C 1 ATOM 1341 O O . THR A 1 182 ? 19.199 31.418 19.227 1.00 7.88 ? 182 THR E O 1 ATOM 1342 C CB . THR A 1 182 ? 15.882 31.123 19.668 1.00 7.77 ? 182 THR E CB 1 ATOM 1343 O OG1 . THR A 1 182 ? 15.483 31.560 20.996 1.00 9.92 ? 182 THR E OG1 1 ATOM 1344 C CG2 . THR A 1 182 ? 16.415 29.685 19.676 1.00 9.99 ? 182 THR E CG2 1 ATOM 1345 N N . GLY A 1 183 ? 18.510 32.556 21.110 1.00 8.81 ? 183 GLY E N 1 ATOM 1346 C CA . GLY A 1 183 ? 19.839 32.388 21.756 1.00 11.24 ? 183 GLY E CA 1 ATOM 1347 C C . GLY A 1 183 ? 20.042 30.925 22.242 1.00 8.81 ? 183 GLY E C 1 ATOM 1348 O O . GLY A 1 183 ? 19.083 30.221 22.587 1.00 11.53 ? 183 GLY E O 1 ATOM 1349 N N . VAL A 1 184 ? 21.323 30.555 22.216 1.00 6.85 ? 184 VAL E N 1 ATOM 1350 C CA . VAL A 1 184 ? 21.759 29.219 22.655 1.00 7.70 ? 184 VAL E CA 1 ATOM 1351 C C . VAL A 1 184 ? 22.540 29.316 23.967 1.00 9.68 ? 184 VAL E C 1 ATOM 1352 O O . VAL A 1 184 ? 23.357 30.246 24.122 1.00 10.95 ? 184 VAL E O 1 ATOM 1353 C CB . VAL A 1 184 ? 22.683 28.563 21.567 1.00 8.34 ? 184 VAL E CB 1 ATOM 1354 C CG1 . VAL A 1 184 ? 23.449 27.376 22.143 1.00 5.84 ? 184 VAL E CG1 1 ATOM 1355 C CG2 . VAL A 1 184 ? 21.769 28.224 20.398 1.00 5.70 ? 184 VAL E CG2 1 ATOM 1356 N N . ASP A 1 185 ? 22.308 28.391 24.853 1.00 7.20 ? 185 ASP E N 1 ATOM 1357 C CA . ASP A 1 185 ? 23.021 28.308 26.140 1.00 9.52 ? 185 ASP E CA 1 ATOM 1358 C C . ASP A 1 185 ? 23.995 27.112 25.917 1.00 7.26 ? 185 ASP E C 1 ATOM 1359 O O . ASP A 1 185 ? 23.505 25.970 25.835 1.00 7.43 ? 185 ASP E O 1 ATOM 1360 C CB . ASP A 1 185 ? 22.020 28.116 27.253 1.00 12.91 ? 185 ASP E CB 1 ATOM 1361 C CG . ASP A 1 185 ? 22.643 27.812 28.599 1.00 20.26 ? 185 ASP E CG 1 ATOM 1362 O OD1 . ASP A 1 185 ? 21.890 27.557 29.545 1.00 24.26 ? 185 ASP E OD1 1 ATOM 1363 O OD2 . ASP A 1 185 ? 23.882 27.851 28.691 1.00 19.78 ? 185 ASP E OD2 1 ATOM 1364 N N . ASN A 1 186 ? 25.266 27.465 25.766 1.00 6.34 ? 186 ASN E N 1 ATOM 1365 C CA . ASN A 1 186 ? 26.208 26.337 25.502 1.00 8.04 ? 186 ASN E CA 1 ATOM 1366 C C . ASN A 1 186 ? 26.905 25.927 26.806 1.00 8.02 ? 186 ASN E C 1 ATOM 1367 O O . ASN A 1 186 ? 27.937 25.256 26.656 1.00 8.51 ? 186 ASN E O 1 ATOM 1368 C CB . ASN A 1 186 ? 27.187 26.705 24.415 1.00 10.71 ? 186 ASN E CB 1 ATOM 1369 C CG . ASN A 1 186 ? 28.076 27.899 24.728 1.00 20.62 ? 186 ASN E CG 1 ATOM 1370 O OD1 . ASN A 1 186 ? 27.938 28.522 25.792 1.00 20.27 ? 186 ASN E OD1 1 ATOM 1371 N ND2 . ASN A 1 186 ? 29.032 28.228 23.834 1.00 21.23 ? 186 ASN E ND2 1 ATOM 1372 N N . SER A 1 187 ? 26.382 26.316 27.938 1.00 8.47 ? 187 SER E N 1 ATOM 1373 C CA . SER A 1 187 ? 27.055 25.992 29.191 1.00 10.19 ? 187 SER E CA 1 ATOM 1374 C C . SER A 1 187 ? 27.244 24.501 29.415 1.00 13.36 ? 187 SER E C 1 ATOM 1375 O O . SER A 1 187 ? 28.294 24.198 30.054 1.00 15.54 ? 187 SER E O 1 ATOM 1376 C CB . SER A 1 187 ? 26.337 26.682 30.355 1.00 9.54 ? 187 SER E CB 1 ATOM 1377 O OG . SER A 1 187 ? 25.204 25.895 30.581 1.00 16.69 ? 187 SER E OG 1 ATOM 1378 N N . GLN A 1 188 ? 26.407 23.589 28.980 1.00 8.95 ? 188 GLN E N 1 ATOM 1379 C CA . GLN A 1 188 ? 26.622 22.162 29.172 1.00 9.28 ? 188 GLN E CA 1 ATOM 1380 C C . GLN A 1 188 ? 27.184 21.551 27.878 1.00 7.81 ? 188 GLN E C 1 ATOM 1381 O O . GLN A 1 188 ? 27.185 20.301 27.779 1.00 8.63 ? 188 GLN E O 1 ATOM 1382 C CB . GLN A 1 188 ? 25.336 21.444 29.548 1.00 7.09 ? 188 GLN E CB 1 ATOM 1383 C CG . GLN A 1 188 ? 25.016 21.817 31.020 1.00 13.42 ? 188 GLN E CG 1 ATOM 1384 C CD . GLN A 1 188 ? 25.979 21.162 31.978 1.00 19.18 ? 188 GLN E CD 1 ATOM 1385 O OE1 . GLN A 1 188 ? 26.333 21.628 33.080 1.00 25.12 ? 188 GLN E OE1 1 ATOM 1386 N NE2 . GLN A 1 188 ? 26.524 20.022 31.607 1.00 11.02 ? 188 GLN E NE2 1 ATOM 1387 N N . GLY A 1 189 ? 27.613 22.403 26.967 1.00 8.65 ? 189 GLY E N 1 ATOM 1388 C CA . GLY A 1 189 ? 28.204 21.953 25.690 1.00 6.56 ? 189 GLY E CA 1 ATOM 1389 C C . GLY A 1 189 ? 27.183 21.587 24.604 1.00 8.01 ? 189 GLY E C 1 ATOM 1390 O O . GLY A 1 189 ? 27.621 21.120 23.511 1.00 8.57 ? 189 GLY E O 1 ATOM 1391 N N . PHE A 1 190 ? 25.909 21.804 24.852 1.00 6.64 ? 190 PHE E N 1 ATOM 1392 C CA . PHE A 1 190 ? 24.882 21.469 23.817 1.00 6.69 ? 190 PHE E CA 1 ATOM 1393 C C . PHE A 1 190 ? 24.357 22.706 23.070 1.00 7.39 ? 190 PHE E C 1 ATOM 1394 O O . PHE A 1 190 ? 24.563 23.792 23.559 1.00 6.86 ? 190 PHE E O 1 ATOM 1395 C CB . PHE A 1 190 ? 23.653 20.770 24.450 1.00 6.34 ? 190 PHE E CB 1 ATOM 1396 C CG . PHE A 1 190 ? 23.993 19.509 25.222 1.00 9.13 ? 190 PHE E CG 1 ATOM 1397 C CD1 . PHE A 1 190 ? 24.629 18.435 24.568 1.00 9.79 ? 190 PHE E CD1 1 ATOM 1398 C CD2 . PHE A 1 190 ? 23.700 19.444 26.594 1.00 7.32 ? 190 PHE E CD2 1 ATOM 1399 C CE1 . PHE A 1 190 ? 24.967 17.287 25.268 1.00 11.08 ? 190 PHE E CE1 1 ATOM 1400 C CE2 . PHE A 1 190 ? 24.037 18.270 27.298 1.00 9.95 ? 190 PHE E CE2 1 ATOM 1401 C CZ . PHE A 1 190 ? 24.672 17.204 26.646 1.00 10.43 ? 190 PHE E CZ 1 ATOM 1402 N N . TRP A 1 191 ? 23.627 22.464 21.947 1.00 5.91 ? 191 TRP E N 1 ATOM 1403 C CA . TRP A 1 191 ? 22.964 23.567 21.228 1.00 6.83 ? 191 TRP E CA 1 ATOM 1404 C C . TRP A 1 191 ? 21.569 23.599 21.971 1.00 9.04 ? 191 TRP E C 1 ATOM 1405 O O . TRP A 1 191 ? 20.560 23.033 21.454 1.00 8.48 ? 191 TRP E O 1 ATOM 1406 C CB . TRP A 1 191 ? 22.834 23.212 19.753 1.00 5.22 ? 191 TRP E CB 1 ATOM 1407 C CG . TRP A 1 191 ? 24.160 23.263 19.045 1.00 6.44 ? 191 TRP E CG 1 ATOM 1408 C CD1 . TRP A 1 191 ? 25.066 22.237 18.849 1.00 4.04 ? 191 TRP E CD1 1 ATOM 1409 C CD2 . TRP A 1 191 ? 24.729 24.453 18.485 1.00 4.95 ? 191 TRP E CD2 1 ATOM 1410 N NE1 . TRP A 1 191 ? 26.150 22.742 18.132 1.00 7.98 ? 191 TRP E NE1 1 ATOM 1411 C CE2 . TRP A 1 191 ? 25.974 24.087 17.926 1.00 5.50 ? 191 TRP E CE2 1 ATOM 1412 C CE3 . TRP A 1 191 ? 24.309 25.768 18.368 1.00 7.64 ? 191 TRP E CE3 1 ATOM 1413 C CZ2 . TRP A 1 191 ? 26.819 25.005 17.283 1.00 7.41 ? 191 TRP E CZ2 1 ATOM 1414 C CZ3 . TRP A 1 191 ? 25.102 26.697 17.718 1.00 9.85 ? 191 TRP E CZ3 1 ATOM 1415 C CH2 . TRP A 1 191 ? 26.333 26.309 17.193 1.00 10.34 ? 191 TRP E CH2 1 ATOM 1416 N N . SER A 1 192 ? 21.611 24.218 23.154 1.00 7.65 ? 192 SER E N 1 ATOM 1417 C CA . SER A 1 192 ? 20.402 24.295 24.000 1.00 7.92 ? 192 SER E CA 1 ATOM 1418 C C . SER A 1 192 ? 19.604 25.584 23.760 1.00 7.98 ? 192 SER E C 1 ATOM 1419 O O . SER A 1 192 ? 20.263 26.627 23.688 1.00 8.14 ? 192 SER E O 1 ATOM 1420 C CB . SER A 1 192 ? 20.844 24.177 25.469 1.00 8.89 ? 192 SER E CB 1 ATOM 1421 O OG . SER A 1 192 ? 19.659 24.164 26.296 1.00 15.38 ? 192 SER E OG 1 ATOM 1422 N N . PHE A 1 193 ? 18.293 25.485 23.690 1.00 8.06 ? 193 PHE E N 1 ATOM 1423 C CA . PHE A 1 193 ? 17.484 26.710 23.456 1.00 7.76 ? 193 PHE E CA 1 ATOM 1424 C C . PHE A 1 193 ? 16.205 26.576 24.284 1.00 10.64 ? 193 PHE E C 1 ATOM 1425 O O . PHE A 1 193 ? 15.840 25.485 24.765 1.00 8.83 ? 193 PHE E O 1 ATOM 1426 C CB . PHE A 1 193 ? 17.172 26.869 21.955 1.00 7.38 ? 193 PHE E CB 1 ATOM 1427 C CG . PHE A 1 193 ? 16.348 25.744 21.343 1.00 6.74 ? 193 PHE E CG 1 ATOM 1428 C CD1 . PHE A 1 193 ? 16.963 24.553 20.951 1.00 7.15 ? 193 PHE E CD1 1 ATOM 1429 C CD2 . PHE A 1 193 ? 14.977 25.884 21.181 1.00 8.05 ? 193 PHE E CD2 1 ATOM 1430 C CE1 . PHE A 1 193 ? 16.237 23.508 20.414 1.00 8.11 ? 193 PHE E CE1 1 ATOM 1431 C CE2 . PHE A 1 193 ? 14.196 24.822 20.640 1.00 12.06 ? 193 PHE E CE2 1 ATOM 1432 C CZ . PHE A 1 193 ? 14.865 23.644 20.251 1.00 11.17 ? 193 PHE E CZ 1 ATOM 1433 N N . ASN A 1 194 ? 15.500 27.709 24.394 1.00 9.30 ? 194 ASN E N 1 ATOM 1434 C CA . ASN A 1 194 ? 14.253 27.726 25.146 1.00 8.02 ? 194 ASN E CA 1 ATOM 1435 C C . ASN A 1 194 ? 13.021 27.855 24.229 1.00 8.77 ? 194 ASN E C 1 ATOM 1436 O O . ASN A 1 194 ? 13.093 28.554 23.201 1.00 10.39 ? 194 ASN E O 1 ATOM 1437 C CB . ASN A 1 194 ? 14.234 28.971 26.058 1.00 15.97 ? 194 ASN E CB 1 ATOM 1438 C CG . ASN A 1 194 ? 15.347 28.969 27.098 1.00 24.61 ? 194 ASN E CG 1 ATOM 1439 O OD1 . ASN A 1 194 ? 15.941 30.038 27.405 1.00 30.91 ? 194 ASN E OD1 1 ATOM 1440 N ND2 . ASN A 1 194 ? 15.691 27.809 27.640 1.00 23.03 ? 194 ASN E ND2 1 ATOM 1441 N N . VAL A 1 195 ? 11.970 27.192 24.714 1.00 10.52 ? 195 VAL E N 1 ATOM 1442 C CA . VAL A 1 195 ? 10.666 27.285 24.059 1.00 9.84 ? 195 VAL E CA 1 ATOM 1443 C C . VAL A 1 195 ? 9.775 27.987 25.113 1.00 8.36 ? 195 VAL E C 1 ATOM 1444 O O . VAL A 1 195 ? 9.866 27.702 26.335 1.00 8.86 ? 195 VAL E O 1 ATOM 1445 C CB . VAL A 1 195 ? 10.075 26.026 23.408 1.00 16.79 ? 195 VAL E CB 1 ATOM 1446 C CG1 . VAL A 1 195 ? 11.137 25.228 22.627 1.00 12.69 ? 195 VAL E CG1 1 ATOM 1447 C CG2 . VAL A 1 195 ? 9.271 25.209 24.395 1.00 11.95 ? 195 VAL E CG2 1 ATOM 1448 N N . ASP A 1 196 ? 8.935 28.883 24.578 1.00 7.40 ? 196 ASP E N 1 ATOM 1449 C CA . ASP A 1 196 ? 8.049 29.648 25.508 1.00 8.67 ? 196 ASP E CA 1 ATOM 1450 C C . ASP A 1 196 ? 6.748 28.914 25.800 1.00 9.93 ? 196 ASP E C 1 ATOM 1451 O O . ASP A 1 196 ? 6.162 29.221 26.855 1.00 13.84 ? 196 ASP E O 1 ATOM 1452 C CB . ASP A 1 196 ? 7.785 31.029 24.906 1.00 11.20 ? 196 ASP E CB 1 ATOM 1453 C CG . ASP A 1 196 ? 9.006 31.946 25.063 1.00 16.30 ? 196 ASP E CG 1 ATOM 1454 O OD1 . ASP A 1 196 ? 9.425 32.516 24.056 1.00 18.67 ? 196 ASP E OD1 1 ATOM 1455 O OD2 . ASP A 1 196 ? 9.429 32.005 26.240 1.00 19.11 ? 196 ASP E OD2 1 ATOM 1456 N N . SER A 1 197 ? 6.354 28.019 24.915 1.00 8.27 ? 197 SER E N 1 ATOM 1457 C CA . SER A 1 197 ? 5.112 27.264 25.118 1.00 8.08 ? 197 SER E CA 1 ATOM 1458 C C . SER A 1 197 ? 5.054 26.138 24.090 1.00 7.86 ? 197 SER E C 1 ATOM 1459 O O . SER A 1 197 ? 5.883 26.132 23.160 1.00 8.51 ? 197 SER E O 1 ATOM 1460 C CB . SER A 1 197 ? 3.898 28.200 24.991 1.00 13.65 ? 197 SER E CB 1 ATOM 1461 O OG . SER A 1 197 ? 3.826 28.622 23.661 1.00 17.52 ? 197 SER E OG 1 ATOM 1462 N N . TYR A 1 198 ? 4.082 25.238 24.262 1.00 7.22 ? 198 TYR E N 1 ATOM 1463 C CA . TYR A 1 198 ? 3.922 24.150 23.303 1.00 9.15 ? 198 TYR E CA 1 ATOM 1464 C C . TYR A 1 198 ? 2.414 23.920 23.081 1.00 10.08 ? 198 TYR E C 1 ATOM 1465 O O . TYR A 1 198 ? 1.605 24.303 23.948 1.00 9.97 ? 198 TYR E O 1 ATOM 1466 C CB . TYR A 1 198 ? 4.656 22.830 23.707 1.00 8.93 ? 198 TYR E CB 1 ATOM 1467 C CG . TYR A 1 198 ? 3.908 22.124 24.822 1.00 8.98 ? 198 TYR E CG 1 ATOM 1468 C CD1 . TYR A 1 198 ? 4.207 22.509 26.141 1.00 14.25 ? 198 TYR E CD1 1 ATOM 1469 C CD2 . TYR A 1 198 ? 2.914 21.158 24.605 1.00 11.17 ? 198 TYR E CD2 1 ATOM 1470 C CE1 . TYR A 1 198 ? 3.559 21.937 27.248 1.00 14.77 ? 198 TYR E CE1 1 ATOM 1471 C CE2 . TYR A 1 198 ? 2.214 20.627 25.701 1.00 14.22 ? 198 TYR E CE2 1 ATOM 1472 C CZ . TYR A 1 198 ? 2.564 20.994 27.005 1.00 16.87 ? 198 TYR E CZ 1 ATOM 1473 O OH . TYR A 1 198 ? 1.908 20.452 28.094 1.00 18.88 ? 198 TYR E OH 1 ATOM 1474 N N . THR A 1 199 ? 2.139 23.307 21.952 1.00 8.36 ? 199 THR E N 1 ATOM 1475 C CA . THR A 1 199 ? 0.787 22.878 21.613 1.00 10.85 ? 199 THR E CA 1 ATOM 1476 C C . THR A 1 199 ? 0.910 21.406 21.175 1.00 11.58 ? 199 THR E C 1 ATOM 1477 O O . THR A 1 199 ? 1.576 21.142 20.163 1.00 12.81 ? 199 THR E O 1 ATOM 1478 C CB . THR A 1 199 ? 0.004 23.701 20.518 1.00 15.28 ? 199 THR E CB 1 ATOM 1479 O OG1 . THR A 1 199 ? -0.078 25.029 21.141 1.00 16.37 ? 199 THR E OG1 1 ATOM 1480 C CG2 . THR A 1 199 ? -1.358 23.070 20.207 1.00 14.24 ? 199 THR E CG2 1 ATOM 1481 N N . ALA A 1 200 ? 0.226 20.562 21.900 1.00 8.78 ? 200 ALA E N 1 ATOM 1482 C CA . ALA A 1 200 ? 0.147 19.122 21.650 1.00 12.05 ? 200 ALA E CA 1 ATOM 1483 C C . ALA A 1 200 ? -1.311 18.851 21.243 1.00 13.03 ? 200 ALA E C 1 ATOM 1484 O O . ALA A 1 200 ? -2.170 18.622 22.118 1.00 13.03 ? 200 ALA E O 1 ATOM 1485 C CB . ALA A 1 200 ? 0.564 18.315 22.869 1.00 12.44 ? 200 ALA E CB 1 ATOM 1486 N N . GLY A 1 201 ? -1.559 18.918 19.944 1.00 13.98 ? 201 GLY E N 1 ATOM 1487 C CA . GLY A 1 201 ? -2.909 18.719 19.388 1.00 13.86 ? 201 GLY E CA 1 ATOM 1488 C C . GLY A 1 201 ? -3.823 19.747 20.030 1.00 14.83 ? 201 GLY E C 1 ATOM 1489 O O . GLY A 1 201 ? -3.621 20.950 19.817 1.00 16.08 ? 201 GLY E O 1 ATOM 1490 N N . SER A 1 202 ? -4.799 19.297 20.821 1.00 13.72 ? 202 SER E N 1 ATOM 1491 C CA . SER A 1 202 ? -5.756 20.180 21.492 1.00 15.37 ? 202 SER E CA 1 ATOM 1492 C C . SER A 1 202 ? -5.335 20.758 22.819 1.00 14.45 ? 202 SER E C 1 ATOM 1493 O O . SER A 1 202 ? -6.211 21.427 23.397 1.00 14.90 ? 202 SER E O 1 ATOM 1494 C CB . SER A 1 202 ? -7.088 19.425 21.807 1.00 12.52 ? 202 SER E CB 1 ATOM 1495 O OG . SER A 1 202 ? -7.501 18.919 20.550 1.00 24.16 ? 202 SER E OG 1 ATOM 1496 N N . GLN A 1 203 ? -4.123 20.495 23.278 1.00 11.03 ? 203 GLN E N 1 ATOM 1497 C CA . GLN A 1 203 ? -3.680 20.991 24.597 1.00 13.44 ? 203 GLN E CA 1 ATOM 1498 C C . GLN A 1 203 ? -2.411 21.824 24.470 1.00 13.26 ? 203 GLN E C 1 ATOM 1499 O O . GLN A 1 203 ? -1.514 21.421 23.690 1.00 15.09 ? 203 GLN E O 1 ATOM 1500 C CB . GLN A 1 203 ? -3.406 19.789 25.497 1.00 16.55 ? 203 GLN E CB 1 ATOM 1501 C CG . GLN A 1 203 ? -4.688 18.994 25.512 1.00 28.83 ? 203 GLN E CG 1 ATOM 1502 C CD . GLN A 1 203 ? -5.005 18.131 26.677 1.00 36.60 ? 203 GLN E CD 1 ATOM 1503 O OE1 . GLN A 1 203 ? -4.210 17.883 27.582 1.00 41.39 ? 203 GLN E OE1 1 ATOM 1504 N NE2 . GLN A 1 203 ? -6.265 17.651 26.580 1.00 43.20 ? 203 GLN E NE2 1 ATOM 1505 N N . SER A 1 204 ? -2.416 22.884 25.246 1.00 13.39 ? 204 SER E N 1 ATOM 1506 C CA . SER A 1 204 ? -1.208 23.776 25.212 1.00 14.77 ? 204 SER E CA 1 ATOM 1507 C C . SER A 1 204 ? -0.617 23.762 26.605 1.00 16.23 ? 204 SER E C 1 ATOM 1508 O O . SER A 1 204 ? -1.319 23.407 27.571 1.00 18.03 ? 204 SER E O 1 ATOM 1509 C CB . SER A 1 204 ? -1.538 25.148 24.681 1.00 15.73 ? 204 SER E CB 1 ATOM 1510 O OG . SER A 1 204 ? -1.997 25.146 23.338 1.00 18.92 ? 204 SER E OG 1 ATOM 1511 N N . GLY A 1 205 ? 0.658 24.121 26.745 1.00 15.17 ? 205 GLY E N 1 ATOM 1512 C CA . GLY A 1 205 ? 1.266 24.098 28.120 1.00 13.15 ? 205 GLY E CA 1 ATOM 1513 C C . GLY A 1 205 ? 2.413 25.113 28.088 1.00 13.69 ? 205 GLY E C 1 ATOM 1514 O O . GLY A 1 205 ? 2.693 25.765 27.087 1.00 11.48 ? 205 GLY E O 1 ATOM 1515 N N . ASP A 1 206 ? 3.105 25.165 29.193 1.00 14.33 ? 206 ASP E N 1 ATOM 1516 C CA . ASP A 1 206 ? 4.210 26.088 29.426 1.00 15.26 ? 206 ASP E CA 1 ATOM 1517 C C . ASP A 1 206 ? 5.468 25.536 28.766 1.00 14.96 ? 206 ASP E C 1 ATOM 1518 O O . ASP A 1 206 ? 5.559 24.375 28.403 1.00 13.62 ? 206 ASP E O 1 ATOM 1519 C CB . ASP A 1 206 ? 4.365 26.385 30.925 1.00 27.51 ? 206 ASP E CB 1 ATOM 1520 C CG . ASP A 1 206 ? 3.038 26.859 31.540 1.00 40.62 ? 206 ASP E CG 1 ATOM 1521 O OD1 . ASP A 1 206 ? 2.592 28.034 31.498 1.00 44.79 ? 206 ASP E OD1 1 ATOM 1522 O OD2 . ASP A 1 206 ? 2.385 25.930 32.111 1.00 48.59 ? 206 ASP E OD2 1 ATOM 1523 N N . GLY A 1 207 ? 6.387 26.478 28.693 1.00 11.06 ? 207 GLY E N 1 ATOM 1524 C CA . GLY A 1 207 ? 7.714 26.275 28.083 1.00 10.72 ? 207 GLY E CA 1 ATOM 1525 C C . GLY A 1 207 ? 8.647 25.395 28.898 1.00 8.54 ? 207 GLY E C 1 ATOM 1526 O O . GLY A 1 207 ? 8.340 24.896 30.018 1.00 9.10 ? 207 GLY E O 1 ATOM 1527 N N . PHE A 1 208 ? 9.831 25.212 28.258 1.00 7.40 ? 208 PHE E N 1 ATOM 1528 C CA . PHE A 1 208 ? 10.879 24.341 28.840 1.00 9.13 ? 208 PHE E CA 1 ATOM 1529 C C . PHE A 1 208 ? 12.123 24.549 27.971 1.00 6.45 ? 208 PHE E C 1 ATOM 1530 O O . PHE A 1 208 ? 12.021 25.371 27.065 1.00 7.54 ? 208 PHE E O 1 ATOM 1531 C CB . PHE A 1 208 ? 10.407 22.883 28.745 1.00 9.09 ? 208 PHE E CB 1 ATOM 1532 C CG . PHE A 1 208 ? 9.835 22.366 27.462 1.00 10.60 ? 208 PHE E CG 1 ATOM 1533 C CD1 . PHE A 1 208 ? 8.440 22.361 27.247 1.00 9.29 ? 208 PHE E CD1 1 ATOM 1534 C CD2 . PHE A 1 208 ? 10.687 21.879 26.451 1.00 9.40 ? 208 PHE E CD2 1 ATOM 1535 C CE1 . PHE A 1 208 ? 7.914 21.876 26.054 1.00 11.16 ? 208 PHE E CE1 1 ATOM 1536 C CE2 . PHE A 1 208 ? 10.182 21.399 25.242 1.00 7.69 ? 208 PHE E CE2 1 ATOM 1537 C CZ . PHE A 1 208 ? 8.777 21.410 25.050 1.00 10.98 ? 208 PHE E CZ 1 ATOM 1538 N N . SER A 1 209 ? 13.173 23.807 28.266 1.00 7.22 ? 209 SER E N 1 ATOM 1539 C CA . SER A 1 209 ? 14.344 24.012 27.379 1.00 7.66 ? 209 SER E CA 1 ATOM 1540 C C . SER A 1 209 ? 14.628 22.611 26.770 1.00 6.08 ? 209 SER E C 1 ATOM 1541 O O . SER A 1 209 ? 14.199 21.579 27.289 1.00 6.79 ? 209 SER E O 1 ATOM 1542 C CB . SER A 1 209 ? 15.560 24.576 28.096 1.00 6.57 ? 209 SER E CB 1 ATOM 1543 O OG . SER A 1 209 ? 15.943 23.573 29.049 1.00 11.57 ? 209 SER E OG 1 ATOM 1544 N N . GLY A 1 210 ? 15.416 22.683 25.686 1.00 5.98 ? 210 GLY E N 1 ATOM 1545 C CA . GLY A 1 210 ? 15.790 21.408 25.036 1.00 6.49 ? 210 GLY E CA 1 ATOM 1546 C C . GLY A 1 210 ? 17.045 21.634 24.173 1.00 4.94 ? 210 GLY E C 1 ATOM 1547 O O . GLY A 1 210 ? 17.515 22.773 24.075 1.00 5.15 ? 210 GLY E O 1 ATOM 1548 N N . ILE A 1 211 ? 17.537 20.500 23.657 1.00 3.80 ? 211 ILE E N 1 ATOM 1549 C CA . ILE A 1 211 ? 18.699 20.588 22.786 1.00 3.95 ? 211 ILE E CA 1 ATOM 1550 C C . ILE A 1 211 ? 18.352 20.133 21.372 1.00 3.88 ? 211 ILE E C 1 ATOM 1551 O O . ILE A 1 211 ? 17.578 19.196 21.188 1.00 5.33 ? 211 ILE E O 1 ATOM 1552 C CB . ILE A 1 211 ? 19.899 19.765 23.364 1.00 6.74 ? 211 ILE E CB 1 ATOM 1553 C CG1 . ILE A 1 211 ? 19.686 18.225 23.259 1.00 6.75 ? 211 ILE E CG1 1 ATOM 1554 C CG2 . ILE A 1 211 ? 20.133 20.185 24.852 1.00 8.88 ? 211 ILE E CG2 1 ATOM 1555 C CD1 . ILE A 1 211 ? 20.919 17.361 23.630 1.00 11.99 ? 211 ILE E CD1 1 ATOM 1556 N N . ALA A 1 212 ? 19.020 20.758 20.387 1.00 2.29 ? 212 ALA E N 1 ATOM 1557 C CA . ALA A 1 212 ? 18.804 20.325 18.977 1.00 4.40 ? 212 ALA E CA 1 ATOM 1558 C C . ALA A 1 212 ? 19.846 19.201 18.741 1.00 6.13 ? 212 ALA E C 1 ATOM 1559 O O . ALA A 1 212 ? 21.061 19.460 18.793 1.00 7.63 ? 212 ALA E O 1 ATOM 1560 C CB . ALA A 1 212 ? 19.046 21.525 18.087 1.00 6.47 ? 212 ALA E CB 1 ATOM 1561 N N . ASP A 1 213 ? 19.336 17.994 18.553 1.00 4.78 ? 213 ASP E N 1 ATOM 1562 C CA . ASP A 1 213 ? 20.265 16.814 18.414 1.00 6.35 ? 213 ASP E CA 1 ATOM 1563 C C . ASP A 1 213 ? 19.984 15.936 17.209 1.00 5.61 ? 213 ASP E C 1 ATOM 1564 O O . ASP A 1 213 ? 19.065 15.096 17.245 1.00 6.28 ? 213 ASP E O 1 ATOM 1565 C CB . ASP A 1 213 ? 20.147 16.037 19.786 1.00 6.31 ? 213 ASP E CB 1 ATOM 1566 C CG . ASP A 1 213 ? 21.224 14.937 19.849 1.00 9.43 ? 213 ASP E CG 1 ATOM 1567 O OD1 . ASP A 1 213 ? 22.079 14.877 18.935 1.00 6.69 ? 213 ASP E OD1 1 ATOM 1568 O OD2 . ASP A 1 213 ? 21.229 14.097 20.789 1.00 10.95 ? 213 ASP E OD2 1 ATOM 1569 N N . THR A 1 214 ? 20.841 16.082 16.193 1.00 3.72 ? 214 THR E N 1 ATOM 1570 C CA . THR A 1 214 ? 20.705 15.276 14.971 1.00 4.30 ? 214 THR E CA 1 ATOM 1571 C C . THR A 1 214 ? 20.988 13.801 15.281 1.00 5.06 ? 214 THR E C 1 ATOM 1572 O O . THR A 1 214 ? 20.559 12.999 14.450 1.00 5.37 ? 214 THR E O 1 ATOM 1573 C CB . THR A 1 214 ? 21.741 15.740 13.876 1.00 4.80 ? 214 THR E CB 1 ATOM 1574 O OG1 . THR A 1 214 ? 23.029 15.615 14.559 1.00 5.29 ? 214 THR E OG1 1 ATOM 1575 C CG2 . THR A 1 214 ? 21.489 17.171 13.370 1.00 6.32 ? 214 THR E CG2 1 ATOM 1576 N N . GLY A 1 215 ? 21.714 13.585 16.362 1.00 3.84 ? 215 GLY E N 1 ATOM 1577 C CA . GLY A 1 215 ? 22.063 12.226 16.799 1.00 3.63 ? 215 GLY E CA 1 ATOM 1578 C C . GLY A 1 215 ? 21.013 11.441 17.594 1.00 5.29 ? 215 GLY E C 1 ATOM 1579 O O . GLY A 1 215 ? 21.298 10.259 18.003 1.00 6.02 ? 215 GLY E O 1 ATOM 1580 N N . THR A 1 216 ? 19.829 11.977 17.872 1.00 3.26 ? 216 THR E N 1 ATOM 1581 C CA . THR A 1 216 ? 18.769 11.265 18.601 1.00 4.17 ? 216 THR E CA 1 ATOM 1582 C C . THR A 1 216 ? 17.625 11.051 17.584 1.00 6.45 ? 216 THR E C 1 ATOM 1583 O O . THR A 1 216 ? 17.206 12.014 16.900 1.00 6.48 ? 216 THR E O 1 ATOM 1584 C CB . THR A 1 216 ? 18.229 12.035 19.846 1.00 5.23 ? 216 THR E CB 1 ATOM 1585 O OG1 . THR A 1 216 ? 19.369 12.010 20.764 1.00 7.41 ? 216 THR E OG1 1 ATOM 1586 C CG2 . THR A 1 216 ? 16.972 11.466 20.521 1.00 5.09 ? 216 THR E CG2 1 ATOM 1587 N N . THR A 1 217 ? 17.140 9.830 17.508 1.00 2.97 ? 217 THR E N 1 ATOM 1588 C CA . THR A 1 217 ? 16.069 9.532 16.561 1.00 5.85 ? 217 THR E CA 1 ATOM 1589 C C . THR A 1 217 ? 14.731 10.263 16.811 1.00 4.04 ? 217 THR E C 1 ATOM 1590 O O . THR A 1 217 ? 14.115 10.758 15.832 1.00 4.38 ? 217 THR E O 1 ATOM 1591 C CB . THR A 1 217 ? 15.754 7.978 16.493 1.00 4.97 ? 217 THR E CB 1 ATOM 1592 O OG1 . THR A 1 217 ? 17.033 7.264 16.365 1.00 7.18 ? 217 THR E OG1 1 ATOM 1593 C CG2 . THR A 1 217 ? 14.793 7.607 15.350 1.00 5.50 ? 217 THR E CG2 1 ATOM 1594 N N . LEU A 1 218 ? 14.276 10.244 18.033 1.00 4.74 ? 218 LEU E N 1 ATOM 1595 C CA . LEU A 1 218 ? 12.947 10.768 18.352 1.00 6.27 ? 218 LEU E CA 1 ATOM 1596 C C . LEU A 1 218 ? 12.877 12.128 18.964 1.00 9.33 ? 218 LEU E C 1 ATOM 1597 O O . LEU A 1 218 ? 13.918 12.735 19.113 1.00 8.92 ? 218 LEU E O 1 ATOM 1598 C CB . LEU A 1 218 ? 12.382 9.625 19.275 1.00 7.37 ? 218 LEU E CB 1 ATOM 1599 C CG . LEU A 1 218 ? 12.340 8.204 18.672 1.00 8.58 ? 218 LEU E CG 1 ATOM 1600 C CD1 . LEU A 1 218 ? 11.788 7.268 19.736 1.00 9.07 ? 218 LEU E CD1 1 ATOM 1601 C CD2 . LEU A 1 218 ? 11.469 8.166 17.413 1.00 9.75 ? 218 LEU E CD2 1 ATOM 1602 N N . LEU A 1 219 ? 11.636 12.537 19.287 1.00 5.17 ? 219 LEU E N 1 ATOM 1603 C CA . LEU A 1 219 ? 11.402 13.828 19.956 1.00 3.87 ? 219 LEU E CA 1 ATOM 1604 C C . LEU A 1 219 ? 11.178 13.396 21.431 1.00 5.32 ? 219 LEU E C 1 ATOM 1605 O O . LEU A 1 219 ? 10.132 12.713 21.674 1.00 5.81 ? 219 LEU E O 1 ATOM 1606 C CB . LEU A 1 219 ? 10.194 14.494 19.342 1.00 7.40 ? 219 LEU E CB 1 ATOM 1607 C CG . LEU A 1 219 ? 9.699 15.790 19.974 1.00 11.63 ? 219 LEU E CG 1 ATOM 1608 C CD1 . LEU A 1 219 ? 10.836 16.755 20.288 1.00 6.87 ? 219 LEU E CD1 1 ATOM 1609 C CD2 . LEU A 1 219 ? 8.711 16.365 18.907 1.00 10.76 ? 219 LEU E CD2 1 ATOM 1610 N N . LEU A 1 220 ? 12.114 13.672 22.334 1.00 4.16 ? 220 LEU E N 1 ATOM 1611 C CA . LEU A 1 220 ? 11.954 13.163 23.726 1.00 5.55 ? 220 LEU E CA 1 ATOM 1612 C C . LEU A 1 220 ? 11.540 14.316 24.640 1.00 7.01 ? 220 LEU E C 1 ATOM 1613 O O . LEU A 1 220 ? 12.363 15.241 24.788 1.00 6.78 ? 220 LEU E O 1 ATOM 1614 C CB . LEU A 1 220 ? 13.289 12.500 24.182 1.00 6.31 ? 220 LEU E CB 1 ATOM 1615 C CG . LEU A 1 220 ? 13.833 11.350 23.346 1.00 7.11 ? 220 LEU E CG 1 ATOM 1616 C CD1 . LEU A 1 220 ? 15.125 10.811 23.970 1.00 9.68 ? 220 LEU E CD1 1 ATOM 1617 C CD2 . LEU A 1 220 ? 12.739 10.263 23.227 1.00 6.52 ? 220 LEU E CD2 1 ATOM 1618 N N . LEU A 1 221 ? 10.393 14.142 25.256 1.00 4.97 ? 221 LEU E N 1 ATOM 1619 C CA . LEU A 1 221 ? 9.819 15.178 26.094 1.00 7.08 ? 221 LEU E CA 1 ATOM 1620 C C . LEU A 1 221 ? 9.460 14.712 27.492 1.00 7.71 ? 221 LEU E C 1 ATOM 1621 O O . LEU A 1 221 ? 9.585 13.519 27.700 1.00 10.19 ? 221 LEU E O 1 ATOM 1622 C CB . LEU A 1 221 ? 8.521 15.604 25.367 1.00 5.17 ? 221 LEU E CB 1 ATOM 1623 C CG . LEU A 1 221 ? 8.626 16.095 23.910 1.00 5.43 ? 221 LEU E CG 1 ATOM 1624 C CD1 . LEU A 1 221 ? 7.245 16.317 23.325 1.00 8.46 ? 221 LEU E CD1 1 ATOM 1625 C CD2 . LEU A 1 221 ? 9.412 17.412 23.874 1.00 10.53 ? 221 LEU E CD2 1 ATOM 1626 N N . ASP A 1 222 ? 9.057 15.657 28.371 1.00 7.06 ? 222 ASP E N 1 ATOM 1627 C CA . ASP A 1 222 ? 8.688 15.265 29.705 1.00 7.45 ? 222 ASP E CA 1 ATOM 1628 C C . ASP A 1 222 ? 7.482 14.328 29.654 1.00 8.41 ? 222 ASP E C 1 ATOM 1629 O O . ASP A 1 222 ? 6.633 14.472 28.770 1.00 9.48 ? 222 ASP E O 1 ATOM 1630 C CB . ASP A 1 222 ? 8.263 16.451 30.566 1.00 14.43 ? 222 ASP E CB 1 ATOM 1631 C CG . ASP A 1 222 ? 9.473 17.317 30.865 1.00 23.41 ? 222 ASP E CG 1 ATOM 1632 O OD1 . ASP A 1 222 ? 10.618 16.854 30.904 1.00 23.07 ? 222 ASP E OD1 1 ATOM 1633 O OD2 . ASP A 1 222 ? 9.106 18.498 31.029 1.00 26.57 ? 222 ASP E OD2 1 ATOM 1634 N N . ASP A 1 223 ? 7.452 13.423 30.636 1.00 8.67 ? 223 ASP E N 1 ATOM 1635 C CA . ASP A 1 223 ? 6.352 12.455 30.707 1.00 8.74 ? 223 ASP E CA 1 ATOM 1636 C C . ASP A 1 223 ? 4.969 13.100 30.683 1.00 10.47 ? 223 ASP E C 1 ATOM 1637 O O . ASP A 1 223 ? 4.040 12.517 30.105 1.00 11.76 ? 223 ASP E O 1 ATOM 1638 C CB . ASP A 1 223 ? 6.555 11.697 32.037 1.00 12.24 ? 223 ASP E CB 1 ATOM 1639 C CG . ASP A 1 223 ? 7.729 10.717 31.924 1.00 19.36 ? 223 ASP E CG 1 ATOM 1640 O OD1 . ASP A 1 223 ? 8.164 10.371 30.826 1.00 24.93 ? 223 ASP E OD1 1 ATOM 1641 O OD2 . ASP A 1 223 ? 8.204 10.302 33.004 1.00 24.06 ? 223 ASP E OD2 1 ATOM 1642 N N . SER A 1 224 ? 4.863 14.264 31.307 1.00 12.92 ? 224 SER E N 1 ATOM 1643 C CA . SER A 1 224 ? 3.540 14.967 31.369 1.00 12.79 ? 224 SER E CA 1 ATOM 1644 C C . SER A 1 224 ? 3.032 15.286 29.948 1.00 12.83 ? 224 SER E C 1 ATOM 1645 O O . SER A 1 224 ? 1.858 15.106 29.618 1.00 11.79 ? 224 SER E O 1 ATOM 1646 C CB . SER A 1 224 ? 3.640 16.232 32.211 1.00 17.37 ? 224 SER E CB 1 ATOM 1647 O OG . SER A 1 224 ? 4.742 17.104 31.861 1.00 23.38 ? 224 SER E OG 1 ATOM 1648 N N . VAL A 1 225 ? 3.969 15.775 29.148 1.00 9.16 ? 225 VAL E N 1 ATOM 1649 C CA . VAL A 1 225 ? 3.730 16.158 27.765 1.00 9.66 ? 225 VAL E CA 1 ATOM 1650 C C . VAL A 1 225 ? 3.407 14.904 26.945 1.00 10.74 ? 225 VAL E C 1 ATOM 1651 O O . VAL A 1 225 ? 2.461 14.893 26.102 1.00 8.33 ? 225 VAL E O 1 ATOM 1652 C CB . VAL A 1 225 ? 4.853 17.026 27.193 1.00 13.04 ? 225 VAL E CB 1 ATOM 1653 C CG1 . VAL A 1 225 ? 4.567 17.375 25.733 1.00 13.43 ? 225 VAL E CG1 1 ATOM 1654 C CG2 . VAL A 1 225 ? 5.105 18.231 28.117 1.00 10.66 ? 225 VAL E CG2 1 ATOM 1655 N N . VAL A 1 226 ? 4.192 13.858 27.205 1.00 7.69 ? 226 VAL E N 1 ATOM 1656 C CA . VAL A 1 226 ? 3.953 12.597 26.462 1.00 9.99 ? 226 VAL E CA 1 ATOM 1657 C C . VAL A 1 226 ? 2.525 12.071 26.729 1.00 10.96 ? 226 VAL E C 1 ATOM 1658 O O . VAL A 1 226 ? 1.823 11.690 25.746 1.00 9.48 ? 226 VAL E O 1 ATOM 1659 C CB . VAL A 1 226 ? 5.045 11.558 26.769 1.00 10.43 ? 226 VAL E CB 1 ATOM 1660 C CG1 . VAL A 1 226 ? 4.747 10.205 26.129 1.00 11.88 ? 226 VAL E CG1 1 ATOM 1661 C CG2 . VAL A 1 226 ? 6.379 12.150 26.309 1.00 9.77 ? 226 VAL E CG2 1 ATOM 1662 N N . SER A 1 227 ? 2.185 12.084 28.002 1.00 10.07 ? 227 SER E N 1 ATOM 1663 C CA . SER A 1 227 ? 0.843 11.614 28.421 1.00 13.14 ? 227 SER E CA 1 ATOM 1664 C C . SER A 1 227 ? -0.271 12.389 27.697 1.00 13.53 ? 227 SER E C 1 ATOM 1665 O O . SER A 1 227 ? -1.200 11.817 27.094 1.00 13.85 ? 227 SER E O 1 ATOM 1666 C CB . SER A 1 227 ? 0.601 11.838 29.925 1.00 16.45 ? 227 SER E CB 1 ATOM 1667 O OG . SER A 1 227 ? 1.504 10.934 30.551 1.00 30.61 ? 227 SER E OG 1 ATOM 1668 N N . GLN A 1 228 ? -0.122 13.688 27.812 1.00 14.60 ? 228 GLN E N 1 ATOM 1669 C CA . GLN A 1 228 ? -1.049 14.659 27.182 1.00 14.34 ? 228 GLN E CA 1 ATOM 1670 C C . GLN A 1 228 ? -1.240 14.395 25.694 1.00 13.08 ? 228 GLN E C 1 ATOM 1671 O O . GLN A 1 228 ? -2.369 14.424 25.166 1.00 10.99 ? 228 GLN E O 1 ATOM 1672 C CB . GLN A 1 228 ? -0.434 16.051 27.254 1.00 20.67 ? 228 GLN E CB 1 ATOM 1673 C CG . GLN A 1 228 ? -1.237 17.038 28.041 1.00 33.38 ? 228 GLN E CG 1 ATOM 1674 C CD . GLN A 1 228 ? -0.549 18.393 27.962 1.00 36.67 ? 228 GLN E CD 1 ATOM 1675 O OE1 . GLN A 1 228 ? -0.495 19.058 28.987 1.00 45.73 ? 228 GLN E OE1 1 ATOM 1676 N NE2 . GLN A 1 228 ? -0.082 18.682 26.760 1.00 40.29 ? 228 GLN E NE2 1 ATOM 1677 N N . TYR A 1 229 ? -0.098 14.169 25.048 1.00 8.18 ? 229 TYR E N 1 ATOM 1678 C CA . TYR A 1 229 ? -0.142 13.877 23.608 1.00 11.65 ? 229 TYR E CA 1 ATOM 1679 C C . TYR A 1 229 ? -0.857 12.573 23.250 1.00 11.66 ? 229 TYR E C 1 ATOM 1680 O O . TYR A 1 229 ? -1.758 12.628 22.412 1.00 11.76 ? 229 TYR E O 1 ATOM 1681 C CB . TYR A 1 229 ? 1.341 13.764 23.064 1.00 8.26 ? 229 TYR E CB 1 ATOM 1682 C CG . TYR A 1 229 ? 1.275 13.682 21.558 1.00 8.12 ? 229 TYR E CG 1 ATOM 1683 C CD1 . TYR A 1 229 ? 1.078 14.822 20.759 1.00 9.94 ? 229 TYR E CD1 1 ATOM 1684 C CD2 . TYR A 1 229 ? 1.361 12.431 20.952 1.00 8.88 ? 229 TYR E CD2 1 ATOM 1685 C CE1 . TYR A 1 229 ? 1.028 14.689 19.364 1.00 7.88 ? 229 TYR E CE1 1 ATOM 1686 C CE2 . TYR A 1 229 ? 1.307 12.285 19.564 1.00 8.94 ? 229 TYR E CE2 1 ATOM 1687 C CZ . TYR A 1 229 ? 1.112 13.425 18.772 1.00 10.65 ? 229 TYR E CZ 1 ATOM 1688 O OH . TYR A 1 229 ? 1.068 13.248 17.414 1.00 10.31 ? 229 TYR E OH 1 ATOM 1689 N N . TYR A 1 230 ? -0.433 11.458 23.877 1.00 11.71 ? 230 TYR E N 1 ATOM 1690 C CA . TYR A 1 230 ? -1.066 10.164 23.535 1.00 11.48 ? 230 TYR E CA 1 ATOM 1691 C C . TYR A 1 230 ? -2.498 10.033 24.128 1.00 12.27 ? 230 TYR E C 1 ATOM 1692 O O . TYR A 1 230 ? -3.166 9.120 23.625 1.00 12.41 ? 230 TYR E O 1 ATOM 1693 C CB . TYR A 1 230 ? -0.151 9.017 23.937 1.00 11.52 ? 230 TYR E CB 1 ATOM 1694 C CG . TYR A 1 230 ? 1.078 9.038 23.006 1.00 10.45 ? 230 TYR E CG 1 ATOM 1695 C CD1 . TYR A 1 230 ? 2.326 9.435 23.496 1.00 10.33 ? 230 TYR E CD1 1 ATOM 1696 C CD2 . TYR A 1 230 ? 0.926 8.668 21.667 1.00 10.59 ? 230 TYR E CD2 1 ATOM 1697 C CE1 . TYR A 1 230 ? 3.438 9.427 22.638 1.00 9.06 ? 230 TYR E CE1 1 ATOM 1698 C CE2 . TYR A 1 230 ? 2.041 8.694 20.822 1.00 13.97 ? 230 TYR E CE2 1 ATOM 1699 C CZ . TYR A 1 230 ? 3.290 9.091 21.317 1.00 8.93 ? 230 TYR E CZ 1 ATOM 1700 O OH . TYR A 1 230 ? 4.349 9.071 20.412 1.00 8.78 ? 230 TYR E OH 1 ATOM 1701 N N . SER A 1 231 ? -2.836 10.893 25.059 1.00 10.82 ? 231 SER E N 1 ATOM 1702 C CA . SER A 1 231 ? -4.224 10.798 25.591 1.00 15.23 ? 231 SER E CA 1 ATOM 1703 C C . SER A 1 231 ? -5.157 11.149 24.432 1.00 14.93 ? 231 SER E C 1 ATOM 1704 O O . SER A 1 231 ? -6.375 10.842 24.487 1.00 17.21 ? 231 SER E O 1 ATOM 1705 C CB . SER A 1 231 ? -4.502 11.714 26.765 1.00 15.38 ? 231 SER E CB 1 ATOM 1706 O OG . SER A 1 231 ? -4.551 13.104 26.435 1.00 21.91 ? 231 SER E OG 1 ATOM 1707 N N . GLN A 1 232 ? -4.626 11.783 23.407 1.00 13.85 ? 232 GLN E N 1 ATOM 1708 C CA . GLN A 1 232 ? -5.471 12.164 22.256 1.00 14.98 ? 232 GLN E CA 1 ATOM 1709 C C . GLN A 1 232 ? -5.399 11.241 21.061 1.00 16.98 ? 232 GLN E C 1 ATOM 1710 O O . GLN A 1 232 ? -5.933 11.565 19.973 1.00 16.24 ? 232 GLN E O 1 ATOM 1711 C CB . GLN A 1 232 ? -5.019 13.566 21.814 1.00 14.59 ? 232 GLN E CB 1 ATOM 1712 C CG . GLN A 1 232 ? -5.159 14.549 22.947 1.00 13.02 ? 232 GLN E CG 1 ATOM 1713 C CD . GLN A 1 232 ? -4.503 15.857 22.542 1.00 19.97 ? 232 GLN E CD 1 ATOM 1714 O OE1 . GLN A 1 232 ? -4.964 16.503 21.613 1.00 18.40 ? 232 GLN E OE1 1 ATOM 1715 N NE2 . GLN A 1 232 ? -3.434 16.238 23.214 1.00 15.52 ? 232 GLN E NE2 1 ATOM 1716 N N . VAL A 1 233 ? -4.706 10.135 21.227 1.00 15.37 ? 233 VAL E N 1 ATOM 1717 C CA . VAL A 1 233 ? -4.505 9.155 20.149 1.00 16.87 ? 233 VAL E CA 1 ATOM 1718 C C . VAL A 1 233 ? -5.307 7.920 20.556 1.00 19.62 ? 233 VAL E C 1 ATOM 1719 O O . VAL A 1 233 ? -4.937 7.266 21.549 1.00 16.39 ? 233 VAL E O 1 ATOM 1720 C CB . VAL A 1 233 ? -3.002 8.854 19.962 1.00 16.76 ? 233 VAL E CB 1 ATOM 1721 C CG1 . VAL A 1 233 ? -2.821 7.769 18.895 1.00 16.63 ? 233 VAL E CG1 1 ATOM 1722 C CG2 . VAL A 1 233 ? -2.270 10.173 19.676 1.00 20.54 ? 233 VAL E CG2 1 ATOM 1723 N N . SER A 1 234 ? -6.374 7.719 19.812 1.00 21.86 ? 234 SER E N 1 ATOM 1724 C CA . SER A 1 234 ? -7.239 6.572 20.115 1.00 26.22 ? 234 SER E CA 1 ATOM 1725 C C . SER A 1 234 ? -6.439 5.251 20.008 1.00 24.42 ? 234 SER E C 1 ATOM 1726 O O . SER A 1 234 ? -5.825 4.949 18.976 1.00 26.40 ? 234 SER E O 1 ATOM 1727 C CB . SER A 1 234 ? -8.472 6.511 19.214 1.00 32.11 ? 234 SER E CB 1 ATOM 1728 O OG . SER A 1 234 ? -9.363 5.556 19.844 1.00 41.09 ? 234 SER E OG 1 ATOM 1729 N N . GLY A 1 235 ? -6.505 4.541 21.122 1.00 26.01 ? 235 GLY E N 1 ATOM 1730 C CA . GLY A 1 235 ? -5.887 3.236 21.314 1.00 27.65 ? 235 GLY E CA 1 ATOM 1731 C C . GLY A 1 235 ? -4.389 3.163 21.569 1.00 25.52 ? 235 GLY E C 1 ATOM 1732 O O . GLY A 1 235 ? -3.816 2.050 21.555 1.00 26.90 ? 235 GLY E O 1 ATOM 1733 N N . ALA A 1 236 ? -3.743 4.293 21.770 1.00 23.88 ? 236 ALA E N 1 ATOM 1734 C CA . ALA A 1 236 ? -2.295 4.354 22.025 1.00 21.58 ? 236 ALA E CA 1 ATOM 1735 C C . ALA A 1 236 ? -2.026 3.631 23.342 1.00 22.05 ? 236 ALA E C 1 ATOM 1736 O O . ALA A 1 236 ? -2.750 3.806 24.348 1.00 21.24 ? 236 ALA E O 1 ATOM 1737 C CB . ALA A 1 236 ? -1.796 5.790 22.059 1.00 19.46 ? 236 ALA E CB 1 ATOM 1738 N N . GLN A 1 237 ? -0.949 2.839 23.338 1.00 19.38 ? 237 GLN E N 1 ATOM 1739 C CA . GLN A 1 237 ? -0.578 2.101 24.567 1.00 17.24 ? 237 GLN E CA 1 ATOM 1740 C C . GLN A 1 237 ? 0.952 1.942 24.582 1.00 11.83 ? 237 GLN E C 1 ATOM 1741 O O . GLN A 1 237 ? 1.501 1.970 23.499 1.00 7.84 ? 237 GLN E O 1 ATOM 1742 C CB . GLN A 1 237 ? -1.225 0.701 24.619 1.00 26.90 ? 237 GLN E CB 1 ATOM 1743 C CG . GLN A 1 237 ? -1.967 0.442 25.920 1.00 41.46 ? 237 GLN E CG 1 ATOM 1744 C CD . GLN A 1 237 ? -3.171 1.228 26.351 1.00 48.80 ? 237 GLN E CD 1 ATOM 1745 O OE1 . GLN A 1 237 ? -4.360 0.912 26.156 1.00 52.92 ? 237 GLN E OE1 1 ATOM 1746 N NE2 . GLN A 1 237 ? -2.938 2.370 27.030 1.00 52.67 ? 237 GLN E NE2 1 ATOM 1747 N N . GLN A 1 238 ? 1.488 1.777 25.735 1.00 13.84 ? 238 GLN E N 1 ATOM 1748 C CA . GLN A 1 238 ? 2.945 1.581 25.923 1.00 11.61 ? 238 GLN E CA 1 ATOM 1749 C C . GLN A 1 238 ? 3.231 0.110 25.574 1.00 14.20 ? 238 GLN E C 1 ATOM 1750 O O . GLN A 1 238 ? 2.417 -0.760 25.944 1.00 14.34 ? 238 GLN E O 1 ATOM 1751 C CB . GLN A 1 238 ? 3.281 1.885 27.357 1.00 17.85 ? 238 GLN E CB 1 ATOM 1752 C CG . GLN A 1 238 ? 3.305 3.407 27.546 1.00 23.82 ? 238 GLN E CG 1 ATOM 1753 C CD . GLN A 1 238 ? 4.562 3.748 28.301 1.00 25.99 ? 238 GLN E CD 1 ATOM 1754 O OE1 . GLN A 1 238 ? 4.459 4.300 29.386 1.00 32.55 ? 238 GLN E OE1 1 ATOM 1755 N NE2 . GLN A 1 238 ? 5.708 3.401 27.710 1.00 33.48 ? 238 GLN E NE2 1 ATOM 1756 N N . ASP A 1 239 ? 4.305 -0.113 24.843 1.00 9.99 ? 239 ASP E N 1 ATOM 1757 C CA . ASP A 1 239 ? 4.700 -1.483 24.448 1.00 9.68 ? 239 ASP E CA 1 ATOM 1758 C C . ASP A 1 239 ? 6.223 -1.519 24.601 1.00 8.87 ? 239 ASP E C 1 ATOM 1759 O O . ASP A 1 239 ? 6.956 -1.012 23.730 1.00 11.46 ? 239 ASP E O 1 ATOM 1760 C CB . ASP A 1 239 ? 4.175 -1.789 23.051 1.00 12.48 ? 239 ASP E CB 1 ATOM 1761 C CG . ASP A 1 239 ? 4.680 -3.128 22.542 1.00 16.22 ? 239 ASP E CG 1 ATOM 1762 O OD1 . ASP A 1 239 ? 4.291 -3.523 21.428 1.00 20.71 ? 239 ASP E OD1 1 ATOM 1763 O OD2 . ASP A 1 239 ? 5.470 -3.787 23.238 1.00 17.24 ? 239 ASP E OD2 1 ATOM 1764 N N . SER A 1 240 ? 6.667 -2.135 25.686 1.00 10.07 ? 240 SER E N 1 ATOM 1765 C CA . SER A 1 240 ? 8.096 -2.236 25.987 1.00 15.44 ? 240 SER E CA 1 ATOM 1766 C C . SER A 1 240 ? 8.827 -3.003 24.885 1.00 18.02 ? 240 SER E C 1 ATOM 1767 O O . SER A 1 240 ? 10.040 -2.685 24.770 1.00 20.08 ? 240 SER E O 1 ATOM 1768 C CB . SER A 1 240 ? 8.376 -2.785 27.391 1.00 18.04 ? 240 SER E CB 1 ATOM 1769 O OG . SER A 1 240 ? 7.795 -4.089 27.475 1.00 17.58 ? 240 SER E OG 1 ATOM 1770 N N . ASN A 1 241 ? 8.156 -3.866 24.160 1.00 18.51 ? 241 ASN E N 1 ATOM 1771 C CA . ASN A 1 241 ? 8.805 -4.607 23.060 1.00 16.53 ? 241 ASN E CA 1 ATOM 1772 C C . ASN A 1 241 ? 9.264 -3.577 22.010 1.00 19.37 ? 241 ASN E C 1 ATOM 1773 O O . ASN A 1 241 ? 10.361 -3.675 21.421 1.00 19.97 ? 241 ASN E O 1 ATOM 1774 C CB . ASN A 1 241 ? 7.831 -5.625 22.468 1.00 18.69 ? 241 ASN E CB 1 ATOM 1775 C CG . ASN A 1 241 ? 7.445 -6.698 23.474 1.00 20.54 ? 241 ASN E CG 1 ATOM 1776 O OD1 . ASN A 1 241 ? 8.311 -7.137 24.246 1.00 21.04 ? 241 ASN E OD1 1 ATOM 1777 N ND2 . ASN A 1 241 ? 6.153 -7.058 23.493 1.00 23.97 ? 241 ASN E ND2 1 ATOM 1778 N N . ALA A 1 242 ? 8.415 -2.585 21.788 1.00 17.45 ? 242 ALA E N 1 ATOM 1779 C CA . ALA A 1 242 ? 8.650 -1.537 20.805 1.00 15.68 ? 242 ALA E CA 1 ATOM 1780 C C . ALA A 1 242 ? 9.474 -0.393 21.359 1.00 17.81 ? 242 ALA E C 1 ATOM 1781 O O . ALA A 1 242 ? 10.203 0.272 20.601 1.00 17.79 ? 242 ALA E O 1 ATOM 1782 C CB . ALA A 1 242 ? 7.333 -1.094 20.189 1.00 15.97 ? 242 ALA E CB 1 ATOM 1783 N N . GLY A 1 243 ? 9.432 -0.105 22.641 1.00 17.52 ? 243 GLY E N 1 ATOM 1784 C CA . GLY A 1 243 ? 10.244 1.033 23.144 1.00 16.91 ? 243 GLY E CA 1 ATOM 1785 C C . GLY A 1 243 ? 9.406 2.225 23.563 1.00 16.84 ? 243 GLY E C 1 ATOM 1786 O O . GLY A 1 243 ? 10.042 3.268 23.856 1.00 18.60 ? 243 GLY E O 1 ATOM 1787 N N . GLY A 1 244 ? 8.078 2.112 23.609 1.00 11.06 ? 244 GLY E N 1 ATOM 1788 C CA . GLY A 1 244 ? 7.322 3.289 24.091 1.00 11.75 ? 244 GLY E CA 1 ATOM 1789 C C . GLY A 1 244 ? 5.874 3.163 23.624 1.00 13.30 ? 244 GLY E C 1 ATOM 1790 O O . GLY A 1 244 ? 5.435 2.023 23.415 1.00 10.21 ? 244 GLY E O 1 ATOM 1791 N N . TYR A 1 245 ? 5.250 4.324 23.455 1.00 11.94 ? 245 TYR E N 1 ATOM 1792 C CA . TYR A 1 245 ? 3.859 4.323 22.974 1.00 11.95 ? 245 TYR E CA 1 ATOM 1793 C C . TYR A 1 245 ? 3.760 3.888 21.530 1.00 11.61 ? 245 TYR E C 1 ATOM 1794 O O . TYR A 1 245 ? 4.528 4.337 20.657 1.00 11.73 ? 245 TYR E O 1 ATOM 1795 C CB . TYR A 1 245 ? 3.287 5.775 22.999 1.00 7.89 ? 245 TYR E CB 1 ATOM 1796 C CG . TYR A 1 245 ? 2.914 6.093 24.425 1.00 12.17 ? 245 TYR E CG 1 ATOM 1797 C CD1 . TYR A 1 245 ? 3.828 6.668 25.297 1.00 11.05 ? 245 TYR E CD1 1 ATOM 1798 C CD2 . TYR A 1 245 ? 1.608 5.804 24.879 1.00 14.84 ? 245 TYR E CD2 1 ATOM 1799 C CE1 . TYR A 1 245 ? 3.498 6.959 26.643 1.00 15.53 ? 245 TYR E CE1 1 ATOM 1800 C CE2 . TYR A 1 245 ? 1.244 6.097 26.192 1.00 19.08 ? 245 TYR E CE2 1 ATOM 1801 C CZ . TYR A 1 245 ? 2.192 6.672 27.056 1.00 20.38 ? 245 TYR E CZ 1 ATOM 1802 O OH . TYR A 1 245 ? 1.776 6.936 28.337 1.00 27.71 ? 245 TYR E OH 1 ATOM 1803 N N . VAL A 1 246 ? 2.760 3.052 21.243 1.00 10.86 ? 246 VAL E N 1 ATOM 1804 C CA . VAL A 1 246 ? 2.505 2.536 19.898 1.00 8.92 ? 246 VAL E CA 1 ATOM 1805 C C . VAL A 1 246 ? 0.990 2.775 19.631 1.00 9.74 ? 246 VAL E C 1 ATOM 1806 O O . VAL A 1 246 ? 0.279 3.010 20.609 1.00 13.04 ? 246 VAL E O 1 ATOM 1807 C CB . VAL A 1 246 ? 2.891 1.059 19.707 1.00 11.57 ? 246 VAL E CB 1 ATOM 1808 C CG1 . VAL A 1 246 ? 4.360 0.793 19.995 1.00 11.32 ? 246 VAL E CG1 1 ATOM 1809 C CG2 . VAL A 1 246 ? 2.039 0.129 20.605 1.00 9.88 ? 246 VAL E CG2 1 ATOM 1810 N N . PHE A 1 247 ? 0.640 2.637 18.368 1.00 11.46 ? 247 PHE E N 1 ATOM 1811 C CA . PHE A 1 247 ? -0.757 2.846 17.952 1.00 14.47 ? 247 PHE E CA 1 ATOM 1812 C C . PHE A 1 247 ? -0.847 2.247 16.539 1.00 15.39 ? 247 PHE E C 1 ATOM 1813 O O . PHE A 1 247 ? 0.118 1.885 15.831 1.00 14.76 ? 247 PHE E O 1 ATOM 1814 C CB . PHE A 1 247 ? -1.158 4.350 17.973 1.00 14.26 ? 247 PHE E CB 1 ATOM 1815 C CG . PHE A 1 247 ? -0.058 5.141 17.305 1.00 15.37 ? 247 PHE E CG 1 ATOM 1816 C CD1 . PHE A 1 247 ? 0.867 5.802 18.125 1.00 18.26 ? 247 PHE E CD1 1 ATOM 1817 C CD2 . PHE A 1 247 ? 0.092 5.167 15.926 1.00 16.18 ? 247 PHE E CD2 1 ATOM 1818 C CE1 . PHE A 1 247 ? 1.941 6.497 17.576 1.00 15.64 ? 247 PHE E CE1 1 ATOM 1819 C CE2 . PHE A 1 247 ? 1.149 5.872 15.344 1.00 18.69 ? 247 PHE E CE2 1 ATOM 1820 C CZ . PHE A 1 247 ? 2.073 6.517 16.167 1.00 17.02 ? 247 PHE E CZ 1 ATOM 1821 N N . ASP A 1 248 ? -2.134 2.159 16.171 1.00 17.38 ? 248 ASP E N 1 ATOM 1822 C CA . ASP A 1 248 ? -2.549 1.636 14.883 1.00 20.60 ? 248 ASP E CA 1 ATOM 1823 C C . ASP A 1 248 ? -1.867 2.538 13.843 1.00 18.12 ? 248 ASP E C 1 ATOM 1824 O O . ASP A 1 248 ? -2.034 3.760 14.009 1.00 20.29 ? 248 ASP E O 1 ATOM 1825 C CB . ASP A 1 248 ? -4.086 1.638 14.693 1.00 33.28 ? 248 ASP E CB 1 ATOM 1826 C CG . ASP A 1 248 ? -4.519 0.683 13.579 1.00 45.14 ? 248 ASP E CG 1 ATOM 1827 O OD1 . ASP A 1 248 ? -4.864 -0.482 13.913 1.00 51.33 ? 248 ASP E OD1 1 ATOM 1828 O OD2 . ASP A 1 248 ? -4.492 1.070 12.376 1.00 46.09 ? 248 ASP E OD2 1 ATOM 1829 N N . CYS A 1 249 ? -1.229 1.921 12.887 1.00 16.91 ? 249 CYS E N 1 ATOM 1830 C CA . CYS A 1 249 ? -0.549 2.758 11.898 1.00 18.13 ? 249 CYS E CA 1 ATOM 1831 C C . CYS A 1 249 ? -1.497 3.680 11.149 1.00 19.29 ? 249 CYS E C 1 ATOM 1832 O O . CYS A 1 249 ? -0.978 4.700 10.651 1.00 18.37 ? 249 CYS E O 1 ATOM 1833 C CB . CYS A 1 249 ? 0.262 1.919 10.910 1.00 19.17 ? 249 CYS E CB 1 ATOM 1834 S SG . CYS A 1 249 ? 1.606 1.009 11.719 1.00 19.17 ? 249 CYS E SG 1 ATOM 1835 N N . SER A 1 250 ? -2.751 3.317 11.059 1.00 17.57 ? 250 SER E N 1 ATOM 1836 C CA . SER A 1 250 ? -3.660 4.204 10.277 1.00 24.33 ? 250 SER E CA 1 ATOM 1837 C C . SER A 1 250 ? -4.223 5.383 11.048 1.00 26.55 ? 250 SER E C 1 ATOM 1838 O O . SER A 1 250 ? -5.001 6.186 10.460 1.00 27.53 ? 250 SER E O 1 ATOM 1839 C CB . SER A 1 250 ? -4.786 3.323 9.701 1.00 26.96 ? 250 SER E CB 1 ATOM 1840 O OG . SER A 1 250 ? -5.708 3.128 10.783 1.00 37.14 ? 250 SER E OG 1 ATOM 1841 N N . THR A 1 251 ? -3.869 5.479 12.307 1.00 24.96 ? 251 THR E N 1 ATOM 1842 C CA . THR A 1 251 ? -4.333 6.542 13.195 1.00 27.98 ? 251 THR E CA 1 ATOM 1843 C C . THR A 1 251 ? -3.917 7.943 12.724 1.00 26.68 ? 251 THR E C 1 ATOM 1844 O O . THR A 1 251 ? -2.807 8.188 12.228 1.00 26.06 ? 251 THR E O 1 ATOM 1845 C CB . THR A 1 251 ? -3.778 6.328 14.677 1.00 31.90 ? 251 THR E CB 1 ATOM 1846 O OG1 . THR A 1 251 ? -4.085 4.932 15.028 1.00 39.40 ? 251 THR E OG1 1 ATOM 1847 C CG2 . THR A 1 251 ? -4.317 7.287 15.732 1.00 36.65 ? 251 THR E CG2 1 ATOM 1848 N N . ASN A 1 252 ? -4.855 8.840 12.957 1.00 25.84 ? 252 ASN E N 1 ATOM 1849 C CA . ASN A 1 252 ? -4.700 10.277 12.645 1.00 28.06 ? 252 ASN E CA 1 ATOM 1850 C C . ASN A 1 252 ? -3.946 10.948 13.794 1.00 25.15 ? 252 ASN E C 1 ATOM 1851 O O . ASN A 1 252 ? -4.609 11.076 14.845 1.00 28.87 ? 252 ASN E O 1 ATOM 1852 C CB . ASN A 1 252 ? -6.114 10.857 12.491 1.00 36.84 ? 252 ASN E CB 1 ATOM 1853 C CG . ASN A 1 252 ? -6.728 10.471 11.147 1.00 40.98 ? 252 ASN E CG 1 ATOM 1854 O OD1 . ASN A 1 252 ? -5.972 10.104 10.217 1.00 45.39 ? 252 ASN E OD1 1 ATOM 1855 N ND2 . ASN A 1 252 ? -8.051 10.563 11.084 1.00 39.32 ? 252 ASN E ND2 1 ATOM 1856 N N . LEU A 1 253 ? -2.687 11.352 13.655 1.00 21.80 ? 253 LEU E N 1 ATOM 1857 C CA . LEU A 1 253 ? -2.038 11.963 14.839 1.00 14.54 ? 253 LEU E CA 1 ATOM 1858 C C . LEU A 1 253 ? -2.121 13.488 14.853 1.00 14.46 ? 253 LEU E C 1 ATOM 1859 O O . LEU A 1 253 ? -1.998 14.108 13.763 1.00 17.41 ? 253 LEU E O 1 ATOM 1860 C CB . LEU A 1 253 ? -0.535 11.576 14.752 1.00 15.63 ? 253 LEU E CB 1 ATOM 1861 C CG . LEU A 1 253 ? -0.100 10.123 14.870 1.00 17.03 ? 253 LEU E CG 1 ATOM 1862 C CD1 . LEU A 1 253 ? 1.428 10.020 14.776 1.00 18.70 ? 253 LEU E CD1 1 ATOM 1863 C CD2 . LEU A 1 253 ? -0.537 9.587 16.238 1.00 13.45 ? 253 LEU E CD2 1 ATOM 1864 N N . PRO A 1 254 ? -2.245 14.043 16.028 1.00 13.23 ? 254 PRO E N 1 ATOM 1865 C CA . PRO A 1 254 ? -2.269 15.490 16.195 1.00 11.72 ? 254 PRO E CA 1 ATOM 1866 C C . PRO A 1 254 ? -0.842 16.029 15.944 1.00 13.25 ? 254 PRO E C 1 ATOM 1867 O O . PRO A 1 254 ? 0.208 15.340 16.039 1.00 12.53 ? 254 PRO E O 1 ATOM 1868 C CB . PRO A 1 254 ? -2.738 15.731 17.614 1.00 11.73 ? 254 PRO E CB 1 ATOM 1869 C CG . PRO A 1 254 ? -2.919 14.393 18.271 1.00 13.75 ? 254 PRO E CG 1 ATOM 1870 C CD . PRO A 1 254 ? -2.419 13.330 17.306 1.00 12.81 ? 254 PRO E CD 1 ATOM 1871 N N . ASP A 1 255 ? -0.846 17.311 15.589 1.00 11.50 ? 255 ASP E N 1 ATOM 1872 C CA . ASP A 1 255 ? 0.413 18.025 15.346 1.00 12.51 ? 255 ASP E CA 1 ATOM 1873 C C . ASP A 1 255 ? 0.968 18.376 16.731 1.00 9.94 ? 255 ASP E C 1 ATOM 1874 O O . ASP A 1 255 ? 0.250 18.356 17.748 1.00 9.84 ? 255 ASP E O 1 ATOM 1875 C CB . ASP A 1 255 ? 0.211 19.299 14.556 1.00 11.01 ? 255 ASP E CB 1 ATOM 1876 C CG . ASP A 1 255 ? -0.435 19.137 13.196 1.00 22.14 ? 255 ASP E CG 1 ATOM 1877 O OD1 . ASP A 1 255 ? -1.079 20.119 12.781 1.00 27.17 ? 255 ASP E OD1 1 ATOM 1878 O OD2 . ASP A 1 255 ? -0.314 18.072 12.557 1.00 14.61 ? 255 ASP E OD2 1 ATOM 1879 N N . PHE A 1 256 ? 2.260 18.717 16.720 1.00 7.56 ? 256 PHE E N 1 ATOM 1880 C CA . PHE A 1 256 ? 2.965 19.139 17.937 1.00 6.94 ? 256 PHE E CA 1 ATOM 1881 C C . PHE A 1 256 ? 3.712 20.427 17.541 1.00 8.51 ? 256 PHE E C 1 ATOM 1882 O O . PHE A 1 256 ? 4.389 20.423 16.468 1.00 10.97 ? 256 PHE E O 1 ATOM 1883 C CB . PHE A 1 256 ? 3.960 18.066 18.405 1.00 6.45 ? 256 PHE E CB 1 ATOM 1884 C CG . PHE A 1 256 ? 4.684 18.557 19.632 1.00 5.32 ? 256 PHE E CG 1 ATOM 1885 C CD1 . PHE A 1 256 ? 5.969 19.082 19.467 1.00 9.70 ? 256 PHE E CD1 1 ATOM 1886 C CD2 . PHE A 1 256 ? 4.114 18.479 20.886 1.00 8.58 ? 256 PHE E CD2 1 ATOM 1887 C CE1 . PHE A 1 256 ? 6.671 19.550 20.568 1.00 12.34 ? 256 PHE E CE1 1 ATOM 1888 C CE2 . PHE A 1 256 ? 4.797 18.972 22.010 1.00 12.25 ? 256 PHE E CE2 1 ATOM 1889 C CZ . PHE A 1 256 ? 6.085 19.494 21.820 1.00 10.45 ? 256 PHE E CZ 1 ATOM 1890 N N . SER A 1 257 ? 3.560 21.497 18.309 1.00 6.91 ? 257 SER E N 1 ATOM 1891 C CA . SER A 1 257 ? 4.302 22.718 17.913 1.00 8.07 ? 257 SER E CA 1 ATOM 1892 C C . SER A 1 257 ? 4.925 23.369 19.127 1.00 8.78 ? 257 SER E C 1 ATOM 1893 O O . SER A 1 257 ? 4.455 23.121 20.269 1.00 7.23 ? 257 SER E O 1 ATOM 1894 C CB . SER A 1 257 ? 3.348 23.605 17.098 1.00 13.05 ? 257 SER E CB 1 ATOM 1895 O OG . SER A 1 257 ? 2.588 24.219 18.080 1.00 17.01 ? 257 SER E OG 1 ATOM 1896 N N . VAL A 1 258 ? 5.966 24.161 18.888 1.00 7.53 ? 258 VAL E N 1 ATOM 1897 C CA . VAL A 1 258 ? 6.612 24.887 20.016 1.00 7.68 ? 258 VAL E CA 1 ATOM 1898 C C . VAL A 1 258 ? 6.775 26.345 19.576 1.00 9.64 ? 258 VAL E C 1 ATOM 1899 O O . VAL A 1 258 ? 6.918 26.591 18.375 1.00 9.70 ? 258 VAL E O 1 ATOM 1900 C CB . VAL A 1 258 ? 7.971 24.306 20.508 1.00 8.52 ? 258 VAL E CB 1 ATOM 1901 C CG1 . VAL A 1 258 ? 7.747 22.988 21.264 1.00 8.10 ? 258 VAL E CG1 1 ATOM 1902 C CG2 . VAL A 1 258 ? 8.917 24.179 19.337 1.00 8.24 ? 258 VAL E CG2 1 ATOM 1903 N N . SER A 1 259 ? 6.750 27.217 20.590 1.00 9.13 ? 259 SER E N 1 ATOM 1904 C CA . SER A 1 259 ? 6.902 28.668 20.259 1.00 10.83 ? 259 SER E CA 1 ATOM 1905 C C . SER A 1 259 ? 8.354 29.016 20.619 1.00 10.03 ? 259 SER E C 1 ATOM 1906 O O . SER A 1 259 ? 8.667 28.895 21.816 1.00 10.72 ? 259 SER E O 1 ATOM 1907 C CB . SER A 1 259 ? 5.868 29.454 21.071 1.00 13.49 ? 259 SER E CB 1 ATOM 1908 O OG . SER A 1 259 ? 6.164 30.818 20.735 1.00 15.92 ? 259 SER E OG 1 ATOM 1909 N N . ILE A 1 260 ? 9.122 29.386 19.607 1.00 12.65 ? 260 ILE E N 1 ATOM 1910 C CA . ILE A 1 260 ? 10.534 29.739 19.813 1.00 12.01 ? 260 ILE E CA 1 ATOM 1911 C C . ILE A 1 260 ? 10.781 31.195 19.421 1.00 12.04 ? 260 ILE E C 1 ATOM 1912 O O . ILE A 1 260 ? 10.776 31.464 18.208 1.00 11.17 ? 260 ILE E O 1 ATOM 1913 C CB . ILE A 1 260 ? 11.453 28.882 18.859 1.00 12.22 ? 260 ILE E CB 1 ATOM 1914 C CG1 . ILE A 1 260 ? 11.209 27.388 19.190 1.00 16.50 ? 260 ILE E CG1 1 ATOM 1915 C CG2 . ILE A 1 260 ? 12.933 29.311 18.942 1.00 12.38 ? 260 ILE E CG2 1 ATOM 1916 C CD1 . ILE A 1 260 ? 11.699 26.343 18.148 1.00 17.46 ? 260 ILE E CD1 1 ATOM 1917 N N . SER A 1 261 ? 10.938 32.048 20.402 1.00 13.78 ? 261 SER E N 1 ATOM 1918 C CA . SER A 1 261 ? 11.199 33.485 20.066 1.00 15.68 ? 261 SER E CA 1 ATOM 1919 C C . SER A 1 261 ? 10.158 33.997 19.067 1.00 16.54 ? 261 SER E C 1 ATOM 1920 O O . SER A 1 261 ? 10.570 34.667 18.107 1.00 16.38 ? 261 SER E O 1 ATOM 1921 C CB . SER A 1 261 ? 12.614 33.699 19.518 1.00 19.40 ? 261 SER E CB 1 ATOM 1922 O OG . SER A 1 261 ? 13.589 33.458 20.561 1.00 23.45 ? 261 SER E OG 1 ATOM 1923 N N . GLY A 1 262 ? 8.881 33.676 19.340 1.00 16.34 ? 262 GLY E N 1 ATOM 1924 C CA . GLY A 1 262 ? 7.823 34.182 18.448 1.00 16.21 ? 262 GLY E CA 1 ATOM 1925 C C . GLY A 1 262 ? 7.561 33.378 17.210 1.00 18.31 ? 262 GLY E C 1 ATOM 1926 O O . GLY A 1 262 ? 6.532 33.635 16.531 1.00 18.33 ? 262 GLY E O 1 ATOM 1927 N N . TYR A 1 263 ? 8.429 32.419 16.918 1.00 16.51 ? 263 TYR E N 1 ATOM 1928 C CA . TYR A 1 263 ? 8.220 31.547 15.737 1.00 15.09 ? 263 TYR E CA 1 ATOM 1929 C C . TYR A 1 263 ? 7.570 30.233 16.225 1.00 16.15 ? 263 TYR E C 1 ATOM 1930 O O . TYR A 1 263 ? 7.989 29.682 17.260 1.00 14.98 ? 263 TYR E O 1 ATOM 1931 C CB . TYR A 1 263 ? 9.549 31.261 15.051 1.00 13.64 ? 263 TYR E CB 1 ATOM 1932 C CG . TYR A 1 263 ? 9.543 30.091 14.109 1.00 14.58 ? 263 TYR E CG 1 ATOM 1933 C CD1 . TYR A 1 263 ? 10.215 28.892 14.431 1.00 11.53 ? 263 TYR E CD1 1 ATOM 1934 C CD2 . TYR A 1 263 ? 8.888 30.162 12.876 1.00 15.21 ? 263 TYR E CD2 1 ATOM 1935 C CE1 . TYR A 1 263 ? 10.246 27.833 13.519 1.00 9.81 ? 263 TYR E CE1 1 ATOM 1936 C CE2 . TYR A 1 263 ? 8.896 29.077 11.981 1.00 13.96 ? 263 TYR E CE2 1 ATOM 1937 C CZ . TYR A 1 263 ? 9.587 27.910 12.306 1.00 11.68 ? 263 TYR E CZ 1 ATOM 1938 O OH . TYR A 1 263 ? 9.568 26.877 11.389 1.00 11.09 ? 263 TYR E OH 1 ATOM 1939 N N . THR A 1 264 ? 6.577 29.781 15.448 1.00 13.28 ? 264 THR E N 1 ATOM 1940 C CA . THR A 1 264 ? 5.911 28.533 15.813 1.00 15.15 ? 264 THR E CA 1 ATOM 1941 C C . THR A 1 264 ? 6.489 27.406 14.932 1.00 12.49 ? 264 THR E C 1 ATOM 1942 O O . THR A 1 264 ? 6.248 27.420 13.692 1.00 12.98 ? 264 THR E O 1 ATOM 1943 C CB . THR A 1 264 ? 4.350 28.576 15.620 1.00 18.74 ? 264 THR E CB 1 ATOM 1944 O OG1 . THR A 1 264 ? 3.872 29.647 16.472 1.00 19.84 ? 264 THR E OG1 1 ATOM 1945 C CG2 . THR A 1 264 ? 3.679 27.230 15.965 1.00 14.65 ? 264 THR E CG2 1 ATOM 1946 N N . ALA A 1 265 ? 7.218 26.510 15.563 1.00 8.66 ? 265 ALA E N 1 ATOM 1947 C CA . ALA A 1 265 ? 7.818 25.384 14.791 1.00 8.67 ? 265 ALA E CA 1 ATOM 1948 C C . ALA A 1 265 ? 6.804 24.237 14.954 1.00 8.76 ? 265 ALA E C 1 ATOM 1949 O O . ALA A 1 265 ? 6.555 23.795 16.085 1.00 11.35 ? 265 ALA E O 1 ATOM 1950 C CB . ALA A 1 265 ? 9.201 25.043 15.316 1.00 9.03 ? 265 ALA E CB 1 ATOM 1951 N N . THR A 1 266 ? 6.232 23.812 13.834 1.00 8.30 ? 266 THR E N 1 ATOM 1952 C CA . THR A 1 266 ? 5.245 22.733 13.904 1.00 8.78 ? 266 THR E CA 1 ATOM 1953 C C . THR A 1 266 ? 5.728 21.434 13.265 1.00 9.69 ? 266 THR E C 1 ATOM 1954 O O . THR A 1 266 ? 6.294 21.472 12.168 1.00 7.59 ? 266 THR E O 1 ATOM 1955 C CB . THR A 1 266 ? 3.895 23.166 13.173 1.00 12.86 ? 266 THR E CB 1 ATOM 1956 O OG1 . THR A 1 266 ? 3.451 24.373 13.899 1.00 12.33 ? 266 THR E OG1 1 ATOM 1957 C CG2 . THR A 1 266 ? 2.824 22.066 13.158 1.00 13.19 ? 266 THR E CG2 1 ATOM 1958 N N . VAL A 1 267 ? 5.537 20.367 13.999 1.00 7.27 ? 267 VAL E N 1 ATOM 1959 C CA . VAL A 1 267 ? 5.844 19.040 13.431 1.00 10.91 ? 267 VAL E CA 1 ATOM 1960 C C . VAL A 1 267 ? 4.431 18.477 13.054 1.00 9.55 ? 267 VAL E C 1 ATOM 1961 O O . VAL A 1 267 ? 3.666 18.244 14.024 1.00 8.88 ? 267 VAL E O 1 ATOM 1962 C CB . VAL A 1 267 ? 6.485 18.140 14.495 1.00 10.93 ? 267 VAL E CB 1 ATOM 1963 C CG1 . VAL A 1 267 ? 6.762 16.748 13.902 1.00 10.38 ? 267 VAL E CG1 1 ATOM 1964 C CG2 . VAL A 1 267 ? 7.706 18.836 15.099 1.00 11.02 ? 267 VAL E CG2 1 ATOM 1965 N N . PRO A 1 268 ? 4.178 18.239 11.782 1.00 12.00 ? 268 PRO E N 1 ATOM 1966 C CA . PRO A 1 268 ? 2.893 17.668 11.370 1.00 12.52 ? 268 PRO E CA 1 ATOM 1967 C C . PRO A 1 268 ? 2.708 16.277 11.952 1.00 11.48 ? 268 PRO E C 1 ATOM 1968 O O . PRO A 1 268 ? 3.674 15.493 12.086 1.00 9.20 ? 268 PRO E O 1 ATOM 1969 C CB . PRO A 1 268 ? 2.903 17.648 9.847 1.00 11.65 ? 268 PRO E CB 1 ATOM 1970 C CG . PRO A 1 268 ? 4.262 18.103 9.437 1.00 14.97 ? 268 PRO E CG 1 ATOM 1971 C CD . PRO A 1 268 ? 5.083 18.493 10.654 1.00 12.76 ? 268 PRO E CD 1 ATOM 1972 N N . GLY A 1 269 ? 1.470 15.936 12.311 1.00 9.65 ? 269 GLY E N 1 ATOM 1973 C CA . GLY A 1 269 ? 1.209 14.595 12.867 1.00 10.64 ? 269 GLY E CA 1 ATOM 1974 C C . GLY A 1 269 ? 1.786 13.493 11.952 1.00 12.43 ? 269 GLY E C 1 ATOM 1975 O O . GLY A 1 269 ? 2.239 12.472 12.527 1.00 9.05 ? 269 GLY E O 1 ATOM 1976 N N . SER A 1 270 ? 1.855 13.593 10.641 1.00 9.65 ? 270 SER E N 1 ATOM 1977 C CA . SER A 1 270 ? 2.390 12.533 9.774 1.00 12.14 ? 270 SER E CA 1 ATOM 1978 C C . SER A 1 270 ? 3.844 12.174 10.087 1.00 13.39 ? 270 SER E C 1 ATOM 1979 O O . SER A 1 270 ? 4.184 10.995 9.996 1.00 13.13 ? 270 SER E O 1 ATOM 1980 C CB . SER A 1 270 ? 2.291 12.932 8.303 1.00 18.62 ? 270 SER E CB 1 ATOM 1981 O OG . SER A 1 270 ? 2.779 14.269 8.237 1.00 29.80 ? 270 SER E OG 1 ATOM 1982 N N . LEU A 1 271 ? 4.630 13.158 10.450 1.00 11.85 ? 271 LEU E N 1 ATOM 1983 C CA . LEU A 1 271 ? 6.047 12.914 10.805 1.00 11.20 ? 271 LEU E CA 1 ATOM 1984 C C . LEU A 1 271 ? 6.139 12.298 12.194 1.00 10.82 ? 271 LEU E C 1 ATOM 1985 O O . LEU A 1 271 ? 7.217 11.750 12.579 1.00 13.47 ? 271 LEU E O 1 ATOM 1986 C CB . LEU A 1 271 ? 6.679 14.303 10.618 1.00 15.29 ? 271 LEU E CB 1 ATOM 1987 C CG . LEU A 1 271 ? 7.222 14.861 9.330 1.00 18.36 ? 271 LEU E CG 1 ATOM 1988 C CD1 . LEU A 1 271 ? 8.171 16.048 9.685 1.00 19.50 ? 271 LEU E CD1 1 ATOM 1989 C CD2 . LEU A 1 271 ? 8.009 13.832 8.547 1.00 18.99 ? 271 LEU E CD2 1 ATOM 1990 N N . ILE A 1 272 ? 5.122 12.320 13.018 1.00 11.72 ? 272 ILE E N 1 ATOM 1991 C CA . ILE A 1 272 ? 5.111 11.724 14.362 1.00 12.68 ? 272 ILE E CA 1 ATOM 1992 C C . ILE A 1 272 ? 4.899 10.203 14.295 1.00 12.77 ? 272 ILE E C 1 ATOM 1993 O O . ILE A 1 272 ? 5.103 9.440 15.280 1.00 16.03 ? 272 ILE E O 1 ATOM 1994 C CB . ILE A 1 272 ? 4.205 12.500 15.383 1.00 14.34 ? 272 ILE E CB 1 ATOM 1995 C CG1 . ILE A 1 272 ? 4.604 14.008 15.385 1.00 13.14 ? 272 ILE E CG1 1 ATOM 1996 C CG2 . ILE A 1 272 ? 4.202 11.833 16.781 1.00 12.87 ? 272 ILE E CG2 1 ATOM 1997 C CD1 . ILE A 1 272 ? 3.863 15.027 16.292 1.00 10.91 ? 272 ILE E CD1 1 ATOM 1998 N N . ASN A 1 273 ? 4.502 9.703 13.149 1.00 11.78 ? 273 ASN E N 1 ATOM 1999 C CA . ASN A 1 273 ? 4.337 8.249 12.931 1.00 11.88 ? 273 ASN E CA 1 ATOM 2000 C C . ASN A 1 273 ? 5.785 7.850 12.532 1.00 11.67 ? 273 ASN E C 1 ATOM 2001 O O . ASN A 1 273 ? 6.127 8.121 11.346 1.00 14.34 ? 273 ASN E O 1 ATOM 2002 C CB . ASN A 1 273 ? 3.369 7.921 11.806 1.00 15.33 ? 273 ASN E CB 1 ATOM 2003 C CG . ASN A 1 273 ? 3.090 6.418 11.752 1.00 19.20 ? 273 ASN E CG 1 ATOM 2004 O OD1 . ASN A 1 273 ? 3.968 5.641 12.157 1.00 19.25 ? 273 ASN E OD1 1 ATOM 2005 N ND2 . ASN A 1 273 ? 1.905 6.012 11.298 1.00 21.91 ? 273 ASN E ND2 1 ATOM 2006 N N . TYR A 1 274 ? 6.545 7.276 13.423 1.00 10.50 ? 274 TYR E N 1 ATOM 2007 C CA . TYR A 1 274 ? 7.926 6.879 13.149 1.00 11.62 ? 274 TYR E CA 1 ATOM 2008 C C . TYR A 1 274 ? 8.073 5.754 12.106 1.00 14.15 ? 274 TYR E C 1 ATOM 2009 O O . TYR A 1 274 ? 8.923 5.690 11.172 1.00 12.66 ? 274 TYR E O 1 ATOM 2010 C CB . TYR A 1 274 ? 8.611 6.496 14.505 1.00 10.18 ? 274 TYR E CB 1 ATOM 2011 C CG . TYR A 1 274 ? 10.003 5.914 14.324 1.00 12.42 ? 274 TYR E CG 1 ATOM 2012 C CD1 . TYR A 1 274 ? 11.050 6.720 13.856 1.00 13.68 ? 274 TYR E CD1 1 ATOM 2013 C CD2 . TYR A 1 274 ? 10.271 4.576 14.587 1.00 12.01 ? 274 TYR E CD2 1 ATOM 2014 C CE1 . TYR A 1 274 ? 12.344 6.197 13.662 1.00 10.41 ? 274 TYR E CE1 1 ATOM 2015 C CE2 . TYR A 1 274 ? 11.543 4.025 14.399 1.00 16.22 ? 274 TYR E CE2 1 ATOM 2016 C CZ . TYR A 1 274 ? 12.566 4.856 13.933 1.00 13.27 ? 274 TYR E CZ 1 ATOM 2017 O OH . TYR A 1 274 ? 13.790 4.299 13.749 1.00 17.02 ? 274 TYR E OH 1 ATOM 2018 N N . GLY A 1 275 ? 7.158 4.793 12.300 1.00 15.37 ? 275 GLY E N 1 ATOM 2019 C CA . GLY A 1 275 ? 7.152 3.619 11.429 1.00 19.06 ? 275 GLY E CA 1 ATOM 2020 C C . GLY A 1 275 ? 6.745 2.397 12.268 1.00 20.80 ? 275 GLY E C 1 ATOM 2021 O O . GLY A 1 275 ? 6.351 2.489 13.427 1.00 16.84 ? 275 GLY E O 1 ATOM 2022 N N . PRO A 1 276 ? 6.853 1.249 11.607 1.00 22.72 ? 276 PRO E N 1 ATOM 2023 C CA . PRO A 1 276 ? 6.462 -0.027 12.205 1.00 23.46 ? 276 PRO E CA 1 ATOM 2024 C C . PRO A 1 276 ? 7.144 -0.197 13.539 1.00 25.59 ? 276 PRO E C 1 ATOM 2025 O O . PRO A 1 276 ? 8.373 0.075 13.565 1.00 26.81 ? 276 PRO E O 1 ATOM 2026 C CB . PRO A 1 276 ? 7.010 -1.070 11.231 1.00 26.25 ? 276 PRO E CB 1 ATOM 2027 C CG . PRO A 1 276 ? 6.938 -0.371 9.889 1.00 27.07 ? 276 PRO E CG 1 ATOM 2028 C CD . PRO A 1 276 ? 7.321 1.072 10.222 1.00 24.44 ? 276 PRO E CD 1 ATOM 2029 N N . SER A 1 277 ? 6.360 -0.618 14.502 1.00 28.28 ? 277 SER E N 1 ATOM 2030 C CA . SER A 1 277 ? 6.948 -0.816 15.842 1.00 32.87 ? 277 SER E CA 1 ATOM 2031 C C . SER A 1 277 ? 7.781 -2.102 15.781 1.00 39.00 ? 277 SER E C 1 ATOM 2032 O O . SER A 1 277 ? 8.672 -2.274 16.637 1.00 40.08 ? 277 SER E O 1 ATOM 2033 C CB . SER A 1 277 ? 5.897 -0.957 16.921 1.00 25.79 ? 277 SER E CB 1 ATOM 2034 O OG . SER A 1 277 ? 5.120 -2.114 16.618 1.00 29.26 ? 277 SER E OG 1 ATOM 2035 N N . GLY A 1 278 ? 7.411 -2.922 14.805 1.00 43.19 ? 278 GLY E N 1 ATOM 2036 C CA . GLY A 1 278 ? 8.081 -4.226 14.607 1.00 48.97 ? 278 GLY E CA 1 ATOM 2037 C C . GLY A 1 278 ? 7.698 -5.185 15.752 1.00 51.87 ? 278 GLY E C 1 ATOM 2038 O O . GLY A 1 278 ? 8.525 -5.935 16.304 1.00 52.96 ? 278 GLY E O 1 ATOM 2039 N N . ASP A 1 279 ? 6.420 -5.104 16.068 1.00 53.41 ? 279 ASP E N 1 ATOM 2040 C CA . ASP A 1 279 ? 5.789 -5.875 17.130 1.00 54.81 ? 279 ASP E CA 1 ATOM 2041 C C . ASP A 1 279 ? 4.345 -6.200 16.743 1.00 55.33 ? 279 ASP E C 1 ATOM 2042 O O . ASP A 1 279 ? 3.465 -6.279 17.630 1.00 56.60 ? 279 ASP E O 1 ATOM 2043 C CB . ASP A 1 279 ? 5.900 -5.142 18.486 1.00 56.69 ? 279 ASP E CB 1 ATOM 2044 C CG . ASP A 1 279 ? 5.615 -6.065 19.667 1.00 59.97 ? 279 ASP E CG 1 ATOM 2045 O OD1 . ASP A 1 279 ? 5.894 -7.287 19.601 1.00 62.63 ? 279 ASP E OD1 1 ATOM 2046 O OD2 . ASP A 1 279 ? 5.050 -5.602 20.784 1.00 56.48 ? 279 ASP E OD2 1 ATOM 2047 N N . GLY A 1 280 ? 4.141 -6.395 15.447 1.00 54.53 ? 280 GLY E N 1 ATOM 2048 C CA . GLY A 1 280 ? 2.752 -6.742 15.029 1.00 52.85 ? 280 GLY E CA 1 ATOM 2049 C C . GLY A 1 280 ? 2.354 -5.701 14.004 1.00 50.88 ? 280 GLY E C 1 ATOM 2050 O O . GLY A 1 280 ? 3.153 -5.547 13.077 1.00 54.03 ? 280 GLY E O 1 ATOM 2051 N N . SER A 1 281 ? 1.224 -5.092 14.247 1.00 49.16 ? 281 SER E N 1 ATOM 2052 C CA . SER A 1 281 ? 0.718 -4.084 13.293 1.00 46.66 ? 281 SER E CA 1 ATOM 2053 C C . SER A 1 281 ? 0.358 -2.790 13.993 1.00 42.26 ? 281 SER E C 1 ATOM 2054 O O . SER A 1 281 ? -0.794 -2.288 13.992 1.00 45.49 ? 281 SER E O 1 ATOM 2055 C CB . SER A 1 281 ? -0.462 -4.775 12.614 1.00 53.35 ? 281 SER E CB 1 ATOM 2056 O OG . SER A 1 281 ? 0.014 -6.089 12.269 1.00 60.20 ? 281 SER E OG 1 ATOM 2057 N N . THR A 1 282 ? 1.441 -2.325 14.606 1.00 32.78 ? 282 THR E N 1 ATOM 2058 C CA . THR A 1 282 ? 1.391 -1.058 15.351 1.00 23.65 ? 282 THR E CA 1 ATOM 2059 C C . THR A 1 282 ? 2.669 -0.346 14.864 1.00 17.27 ? 282 THR E C 1 ATOM 2060 O O . THR A 1 282 ? 3.638 -0.961 14.370 1.00 14.48 ? 282 THR E O 1 ATOM 2061 C CB . THR A 1 282 ? 1.277 -1.164 16.896 1.00 24.80 ? 282 THR E CB 1 ATOM 2062 O OG1 . THR A 1 282 ? 2.527 -1.780 17.393 1.00 18.71 ? 282 THR E OG1 1 ATOM 2063 C CG2 . THR A 1 282 ? 0.075 -1.995 17.355 1.00 23.07 ? 282 THR E CG2 1 ATOM 2064 N N . CYS A 1 283 ? 2.541 0.947 15.050 1.00 12.19 ? 283 CYS E N 1 ATOM 2065 C CA . CYS A 1 283 ? 3.644 1.853 14.630 1.00 12.16 ? 283 CYS E CA 1 ATOM 2066 C C . CYS A 1 283 ? 4.133 2.518 15.904 1.00 10.72 ? 283 CYS E C 1 ATOM 2067 O O . CYS A 1 283 ? 3.291 2.683 16.811 1.00 11.43 ? 283 CYS E O 1 ATOM 2068 C CB . CYS A 1 283 ? 2.958 2.874 13.727 1.00 12.48 ? 283 CYS E CB 1 ATOM 2069 S SG . CYS A 1 283 ? 3.067 2.457 11.973 1.00 16.73 ? 283 CYS E SG 1 ATOM 2070 N N . LEU A 1 284 ? 5.375 2.917 15.971 1.00 11.40 ? 284 LEU E N 1 ATOM 2071 C CA . LEU A 1 284 ? 5.921 3.574 17.162 1.00 6.63 ? 284 LEU E CA 1 ATOM 2072 C C . LEU A 1 284 ? 5.744 5.103 17.001 1.00 8.03 ? 284 LEU E C 1 ATOM 2073 O O . LEU A 1 284 ? 5.972 5.601 15.877 1.00 9.55 ? 284 LEU E O 1 ATOM 2074 C CB . LEU A 1 284 ? 7.388 3.084 17.234 1.00 11.97 ? 284 LEU E CB 1 ATOM 2075 C CG . LEU A 1 284 ? 8.214 3.768 18.342 1.00 13.64 ? 284 LEU E CG 1 ATOM 2076 C CD1 . LEU A 1 284 ? 7.792 3.125 19.650 1.00 10.93 ? 284 LEU E CD1 1 ATOM 2077 C CD2 . LEU A 1 284 ? 9.691 3.681 18.033 1.00 14.00 ? 284 LEU E CD2 1 ATOM 2078 N N . GLY A 1 285 ? 5.384 5.740 18.122 1.00 7.49 ? 285 GLY E N 1 ATOM 2079 C CA . GLY A 1 285 ? 5.207 7.207 18.069 1.00 5.55 ? 285 GLY E CA 1 ATOM 2080 C C . GLY A 1 285 ? 6.587 7.876 18.060 1.00 7.99 ? 285 GLY E C 1 ATOM 2081 O O . GLY A 1 285 ? 7.580 7.359 18.652 1.00 6.25 ? 285 GLY E O 1 ATOM 2082 N N . GLY A 1 286 ? 6.568 9.009 17.368 1.00 5.46 ? 286 GLY E N 1 ATOM 2083 C CA . GLY A 1 286 ? 7.833 9.824 17.245 1.00 6.10 ? 286 GLY E CA 1 ATOM 2084 C C . GLY A 1 286 ? 8.092 10.581 18.544 1.00 6.18 ? 286 GLY E C 1 ATOM 2085 O O . GLY A 1 286 ? 9.212 11.082 18.684 1.00 7.13 ? 286 GLY E O 1 ATOM 2086 N N . ILE A 1 287 ? 7.123 10.717 19.418 1.00 5.91 ? 287 ILE E N 1 ATOM 2087 C CA . ILE A 1 287 ? 7.266 11.400 20.710 1.00 6.30 ? 287 ILE E CA 1 ATOM 2088 C C . ILE A 1 287 ? 7.376 10.338 21.814 1.00 6.06 ? 287 ILE E C 1 ATOM 2089 O O . ILE A 1 287 ? 6.479 9.485 21.902 1.00 5.97 ? 287 ILE E O 1 ATOM 2090 C CB . ILE A 1 287 ? 6.061 12.372 21.017 1.00 4.15 ? 287 ILE E CB 1 ATOM 2091 C CG1 . ILE A 1 287 ? 6.151 13.606 20.049 1.00 7.69 ? 287 ILE E CG1 1 ATOM 2092 C CG2 . ILE A 1 287 ? 6.093 12.876 22.490 1.00 7.01 ? 287 ILE E CG2 1 ATOM 2093 C CD1 . ILE A 1 287 ? 4.944 14.578 20.262 1.00 6.21 ? 287 ILE E CD1 1 ATOM 2094 N N . GLN A 1 288 ? 8.439 10.414 22.622 1.00 6.77 ? 288 GLN E N 1 ATOM 2095 C CA . GLN A 1 288 ? 8.573 9.420 23.727 1.00 4.98 ? 288 GLN E CA 1 ATOM 2096 C C . GLN A 1 288 ? 9.179 10.180 24.902 1.00 7.56 ? 288 GLN E C 1 ATOM 2097 O O . GLN A 1 288 ? 9.628 11.364 24.819 1.00 6.18 ? 288 GLN E O 1 ATOM 2098 C CB . GLN A 1 288 ? 9.347 8.165 23.322 1.00 5.55 ? 288 GLN E CB 1 ATOM 2099 C CG . GLN A 1 288 ? 8.834 7.477 22.045 1.00 8.60 ? 288 GLN E CG 1 ATOM 2100 C CD . GLN A 1 288 ? 7.536 6.724 22.270 1.00 10.08 ? 288 GLN E CD 1 ATOM 2101 O OE1 . GLN A 1 288 ? 7.148 6.519 23.437 1.00 8.17 ? 288 GLN E OE1 1 ATOM 2102 N NE2 . GLN A 1 288 ? 6.873 6.314 21.186 1.00 7.78 ? 288 GLN E NE2 1 ATOM 2103 N N . SER A 1 289 ? 9.170 9.469 26.034 1.00 7.10 ? 289 SER E N 1 ATOM 2104 C CA . SER A 1 289 ? 9.696 10.040 27.301 1.00 7.82 ? 289 SER E CA 1 ATOM 2105 C C . SER A 1 289 ? 11.210 10.300 27.299 1.00 10.06 ? 289 SER E C 1 ATOM 2106 O O . SER A 1 289 ? 11.975 9.530 26.687 1.00 8.17 ? 289 SER E O 1 ATOM 2107 C CB . SER A 1 289 ? 9.413 9.024 28.426 1.00 13.13 ? 289 SER E CB 1 ATOM 2108 O OG . SER A 1 289 ? 10.190 9.279 29.594 1.00 16.89 ? 289 SER E OG 1 ATOM 2109 N N . ASN A 1 290 ? 11.654 11.328 28.002 1.00 9.21 ? 290 ASN E N 1 ATOM 2110 C CA . ASN A 1 290 ? 13.021 11.750 28.154 1.00 9.02 ? 290 ASN E CA 1 ATOM 2111 C C . ASN A 1 290 ? 13.609 11.184 29.445 1.00 11.22 ? 290 ASN E C 1 ATOM 2112 O O . ASN A 1 290 ? 14.694 11.596 29.901 1.00 10.27 ? 290 ASN E O 1 ATOM 2113 C CB . ASN A 1 290 ? 13.127 13.288 28.121 1.00 6.94 ? 290 ASN E CB 1 ATOM 2114 C CG . ASN A 1 290 ? 12.460 13.959 29.302 1.00 11.01 ? 290 ASN E CG 1 ATOM 2115 O OD1 . ASN A 1 290 ? 11.916 13.316 30.230 1.00 11.38 ? 290 ASN E OD1 1 ATOM 2116 N ND2 . ASN A 1 290 ? 12.469 15.288 29.310 1.00 12.03 ? 290 ASN E ND2 1 ATOM 2117 N N . SER A 1 291 ? 12.950 10.232 30.059 1.00 10.31 ? 291 SER E N 1 ATOM 2118 C CA . SER A 1 291 ? 13.336 9.543 31.287 1.00 10.36 ? 291 SER E CA 1 ATOM 2119 C C . SER A 1 291 ? 13.497 10.421 32.529 1.00 12.09 ? 291 SER E C 1 ATOM 2120 O O . SER A 1 291 ? 14.247 10.020 33.460 1.00 11.95 ? 291 SER E O 1 ATOM 2121 C CB . SER A 1 291 ? 14.635 8.747 31.112 1.00 18.74 ? 291 SER E CB 1 ATOM 2122 O OG . SER A 1 291 ? 14.553 7.935 29.967 1.00 22.39 ? 291 SER E OG 1 ATOM 2123 N N . GLY A 1 292 ? 12.846 11.569 32.517 1.00 10.93 ? 292 GLY E N 1 ATOM 2124 C CA . GLY A 1 292 ? 12.938 12.453 33.706 1.00 10.62 ? 292 GLY E CA 1 ATOM 2125 C C . GLY A 1 292 ? 14.202 13.268 33.778 1.00 11.74 ? 292 GLY E C 1 ATOM 2126 O O . GLY A 1 292 ? 14.447 13.812 34.890 1.00 11.23 ? 292 GLY E O 1 ATOM 2127 N N . ILE A 1 293 ? 14.959 13.408 32.706 1.00 9.26 ? 293 ILE E N 1 ATOM 2128 C CA . ILE A 1 293 ? 16.192 14.209 32.752 1.00 12.11 ? 293 ILE E CA 1 ATOM 2129 C C . ILE A 1 293 ? 16.041 15.716 32.962 1.00 13.84 ? 293 ILE E C 1 ATOM 2130 O O . ILE A 1 293 ? 17.100 16.327 33.276 1.00 13.06 ? 293 ILE E O 1 ATOM 2131 C CB . ILE A 1 293 ? 17.161 13.914 31.551 1.00 14.62 ? 293 ILE E CB 1 ATOM 2132 C CG1 . ILE A 1 293 ? 16.503 14.433 30.235 1.00 12.12 ? 293 ILE E CG1 1 ATOM 2133 C CG2 . ILE A 1 293 ? 17.611 12.432 31.528 1.00 18.16 ? 293 ILE E CG2 1 ATOM 2134 C CD1 . ILE A 1 293 ? 17.422 14.090 29.033 1.00 18.13 ? 293 ILE E CD1 1 ATOM 2135 N N . GLY A 1 294 ? 14.892 16.313 32.820 1.00 11.17 ? 294 GLY E N 1 ATOM 2136 C CA . GLY A 1 294 ? 14.787 17.774 33.083 1.00 11.35 ? 294 GLY E CA 1 ATOM 2137 C C . GLY A 1 294 ? 14.859 18.684 31.880 1.00 10.64 ? 294 GLY E C 1 ATOM 2138 O O . GLY A 1 294 ? 14.680 19.886 32.085 1.00 11.35 ? 294 GLY E O 1 ATOM 2139 N N . PHE A 1 295 ? 15.101 18.214 30.659 1.00 10.45 ? 295 PHE E N 1 ATOM 2140 C CA . PHE A 1 295 ? 15.163 19.058 29.459 1.00 7.62 ? 295 PHE E CA 1 ATOM 2141 C C . PHE A 1 295 ? 14.757 18.122 28.312 1.00 7.61 ? 295 PHE E C 1 ATOM 2142 O O . PHE A 1 295 ? 14.783 16.888 28.505 1.00 7.19 ? 295 PHE E O 1 ATOM 2143 C CB . PHE A 1 295 ? 16.503 19.760 29.248 1.00 9.86 ? 295 PHE E CB 1 ATOM 2144 C CG . PHE A 1 295 ? 17.648 18.774 29.059 1.00 9.94 ? 295 PHE E CG 1 ATOM 2145 C CD1 . PHE A 1 295 ? 18.334 18.337 30.192 1.00 10.12 ? 295 PHE E CD1 1 ATOM 2146 C CD2 . PHE A 1 295 ? 17.965 18.295 27.795 1.00 8.94 ? 295 PHE E CD2 1 ATOM 2147 C CE1 . PHE A 1 295 ? 19.398 17.456 30.057 1.00 13.10 ? 295 PHE E CE1 1 ATOM 2148 C CE2 . PHE A 1 295 ? 19.015 17.387 27.646 1.00 10.66 ? 295 PHE E CE2 1 ATOM 2149 C CZ . PHE A 1 295 ? 19.727 16.960 28.772 1.00 11.93 ? 295 PHE E CZ 1 ATOM 2150 N N . SER A 1 296 ? 14.333 18.675 27.186 1.00 6.51 ? 296 SER E N 1 ATOM 2151 C CA . SER A 1 296 ? 13.889 17.839 26.061 1.00 3.95 ? 296 SER E CA 1 ATOM 2152 C C . SER A 1 296 ? 14.943 17.633 24.989 1.00 5.81 ? 296 SER E C 1 ATOM 2153 O O . SER A 1 296 ? 15.845 18.478 24.877 1.00 7.02 ? 296 SER E O 1 ATOM 2154 C CB . SER A 1 296 ? 12.673 18.567 25.433 1.00 5.16 ? 296 SER E CB 1 ATOM 2155 O OG . SER A 1 296 ? 11.688 18.434 26.497 1.00 8.14 ? 296 SER E OG 1 ATOM 2156 N N . ILE A 1 297 ? 14.819 16.538 24.262 1.00 4.27 ? 297 ILE E N 1 ATOM 2157 C CA . ILE A 1 297 ? 15.792 16.286 23.164 1.00 3.94 ? 297 ILE E CA 1 ATOM 2158 C C . ILE A 1 297 ? 14.982 16.437 21.856 1.00 4.98 ? 297 ILE E C 1 ATOM 2159 O O . ILE A 1 297 ? 14.092 15.623 21.605 1.00 5.39 ? 297 ILE E O 1 ATOM 2160 C CB . ILE A 1 297 ? 16.612 14.967 23.247 1.00 6.05 ? 297 ILE E CB 1 ATOM 2161 C CG1 . ILE A 1 297 ? 17.382 14.976 24.598 1.00 11.06 ? 297 ILE E CG1 1 ATOM 2162 C CG2 . ILE A 1 297 ? 17.560 14.761 22.024 1.00 7.09 ? 297 ILE E CG2 1 ATOM 2163 C CD1 . ILE A 1 297 ? 17.814 13.516 24.944 1.00 16.09 ? 297 ILE E CD1 1 ATOM 2164 N N . PHE A 1 298 ? 15.343 17.504 21.130 1.00 3.36 ? 298 PHE E N 1 ATOM 2165 C CA . PHE A 1 298 ? 14.695 17.777 19.821 1.00 5.70 ? 298 PHE E CA 1 ATOM 2166 C C . PHE A 1 298 ? 15.466 16.957 18.774 1.00 5.85 ? 298 PHE E C 1 ATOM 2167 O O . PHE A 1 298 ? 16.382 17.537 18.145 1.00 4.82 ? 298 PHE E O 1 ATOM 2168 C CB . PHE A 1 298 ? 14.751 19.303 19.532 1.00 6.11 ? 298 PHE E CB 1 ATOM 2169 C CG . PHE A 1 298 ? 13.712 20.026 20.361 1.00 10.18 ? 298 PHE E CG 1 ATOM 2170 C CD1 . PHE A 1 298 ? 14.097 20.640 21.568 1.00 13.44 ? 298 PHE E CD1 1 ATOM 2171 C CD2 . PHE A 1 298 ? 12.385 20.118 19.949 1.00 12.51 ? 298 PHE E CD2 1 ATOM 2172 C CE1 . PHE A 1 298 ? 13.177 21.336 22.365 1.00 15.99 ? 298 PHE E CE1 1 ATOM 2173 C CE2 . PHE A 1 298 ? 11.422 20.789 20.739 1.00 12.06 ? 298 PHE E CE2 1 ATOM 2174 C CZ . PHE A 1 298 ? 11.852 21.393 21.954 1.00 12.40 ? 298 PHE E CZ 1 ATOM 2175 N N . GLY A 1 299 ? 15.138 15.710 18.660 1.00 5.83 ? 299 GLY E N 1 ATOM 2176 C CA . GLY A 1 299 ? 15.726 14.731 17.758 1.00 4.87 ? 299 GLY E CA 1 ATOM 2177 C C . GLY A 1 299 ? 15.206 14.855 16.323 1.00 6.78 ? 299 GLY E C 1 ATOM 2178 O O . GLY A 1 299 ? 14.520 15.805 15.873 1.00 7.26 ? 299 GLY E O 1 ATOM 2179 N N . ASP A 1 300 ? 15.601 13.851 15.534 1.00 4.85 ? 300 ASP E N 1 ATOM 2180 C CA . ASP A 1 300 ? 15.292 13.810 14.087 1.00 4.07 ? 300 ASP E CA 1 ATOM 2181 C C . ASP A 1 300 ? 13.807 14.002 13.766 1.00 6.80 ? 300 ASP E C 1 ATOM 2182 O O . ASP A 1 300 ? 13.568 14.616 12.718 1.00 6.97 ? 300 ASP E O 1 ATOM 2183 C CB . ASP A 1 300 ? 15.798 12.483 13.505 1.00 3.19 ? 300 ASP E CB 1 ATOM 2184 C CG . ASP A 1 300 ? 17.304 12.332 13.667 1.00 6.98 ? 300 ASP E CG 1 ATOM 2185 O OD1 . ASP A 1 300 ? 17.763 11.191 13.608 1.00 9.75 ? 300 ASP E OD1 1 ATOM 2186 O OD2 . ASP A 1 300 ? 17.978 13.401 13.800 1.00 6.35 ? 300 ASP E OD2 1 ATOM 2187 N N . ILE A 1 301 ? 12.931 13.505 14.630 1.00 6.93 ? 301 ILE E N 1 ATOM 2188 C CA . ILE A 1 301 ? 11.466 13.663 14.358 1.00 6.60 ? 301 ILE E CA 1 ATOM 2189 C C . ILE A 1 301 ? 11.132 15.142 14.149 1.00 7.16 ? 301 ILE E C 1 ATOM 2190 O O . ILE A 1 301 ? 10.401 15.505 13.205 1.00 9.03 ? 301 ILE E O 1 ATOM 2191 C CB . ILE A 1 301 ? 10.608 13.009 15.500 1.00 4.44 ? 301 ILE E CB 1 ATOM 2192 C CG1 . ILE A 1 301 ? 10.748 11.457 15.472 1.00 3.31 ? 301 ILE E CG1 1 ATOM 2193 C CG2 . ILE A 1 301 ? 9.111 13.519 15.408 1.00 5.49 ? 301 ILE E CG2 1 ATOM 2194 C CD1 . ILE A 1 301 ? 10.002 10.743 14.273 1.00 7.92 ? 301 ILE E CD1 1 ATOM 2195 N N . PHE A 1 302 ? 11.684 15.931 15.059 1.00 6.55 ? 302 PHE E N 1 ATOM 2196 C CA . PHE A 1 302 ? 11.505 17.398 15.028 1.00 7.52 ? 302 PHE E CA 1 ATOM 2197 C C . PHE A 1 302 ? 12.217 18.052 13.844 1.00 7.46 ? 302 PHE E C 1 ATOM 2198 O O . PHE A 1 302 ? 11.686 18.892 13.080 1.00 6.75 ? 302 PHE E O 1 ATOM 2199 C CB . PHE A 1 302 ? 11.931 18.017 16.378 1.00 7.67 ? 302 PHE E CB 1 ATOM 2200 C CG . PHE A 1 302 ? 11.886 19.538 16.364 1.00 10.21 ? 302 PHE E CG 1 ATOM 2201 C CD1 . PHE A 1 302 ? 10.670 20.204 16.572 1.00 12.34 ? 302 PHE E CD1 1 ATOM 2202 C CD2 . PHE A 1 302 ? 13.063 20.266 16.117 1.00 10.60 ? 302 PHE E CD2 1 ATOM 2203 C CE1 . PHE A 1 302 ? 10.627 21.603 16.562 1.00 8.58 ? 302 PHE E CE1 1 ATOM 2204 C CE2 . PHE A 1 302 ? 13.035 21.674 16.100 1.00 12.86 ? 302 PHE E CE2 1 ATOM 2205 C CZ . PHE A 1 302 ? 11.802 22.319 16.304 1.00 11.62 ? 302 PHE E CZ 1 ATOM 2206 N N . LEU A 1 303 ? 13.486 17.660 13.689 1.00 5.87 ? 303 LEU E N 1 ATOM 2207 C CA . LEU A 1 303 ? 14.347 18.219 12.635 1.00 4.93 ? 303 LEU E CA 1 ATOM 2208 C C . LEU A 1 303 ? 13.853 17.979 11.225 1.00 4.36 ? 303 LEU E C 1 ATOM 2209 O O . LEU A 1 303 ? 14.130 18.849 10.377 1.00 7.44 ? 303 LEU E O 1 ATOM 2210 C CB . LEU A 1 303 ? 15.794 17.761 12.905 1.00 7.48 ? 303 LEU E CB 1 ATOM 2211 C CG . LEU A 1 303 ? 16.411 18.127 14.251 1.00 12.59 ? 303 LEU E CG 1 ATOM 2212 C CD1 . LEU A 1 303 ? 17.766 17.393 14.395 1.00 10.40 ? 303 LEU E CD1 1 ATOM 2213 C CD2 . LEU A 1 303 ? 16.692 19.626 14.375 1.00 12.78 ? 303 LEU E CD2 1 ATOM 2214 N N . LYS A 1 304 ? 13.147 16.885 11.012 1.00 4.96 ? 304 LYS E N 1 ATOM 2215 C CA . LYS A 1 304 ? 12.645 16.605 9.651 1.00 5.44 ? 304 LYS E CA 1 ATOM 2216 C C . LYS A 1 304 ? 11.660 17.692 9.243 1.00 8.72 ? 304 LYS E C 1 ATOM 2217 O O . LYS A 1 304 ? 11.398 17.772 8.041 1.00 9.12 ? 304 LYS E O 1 ATOM 2218 C CB . LYS A 1 304 ? 11.958 15.229 9.702 1.00 7.45 ? 304 LYS E CB 1 ATOM 2219 C CG . LYS A 1 304 ? 12.988 14.141 9.358 1.00 8.37 ? 304 LYS E CG 1 ATOM 2220 C CD . LYS A 1 304 ? 12.259 12.773 9.386 1.00 9.88 ? 304 LYS E CD 1 ATOM 2221 C CE . LYS A 1 304 ? 12.429 12.122 10.721 1.00 8.57 ? 304 LYS E CE 1 ATOM 2222 N NZ . LYS A 1 304 ? 11.885 10.697 10.709 1.00 8.02 ? 304 LYS E NZ 1 ATOM 2223 N N . SER A 1 305 ? 11.131 18.493 10.139 1.00 8.12 ? 305 SER E N 1 ATOM 2224 C CA . SER A 1 305 ? 10.188 19.567 9.766 1.00 7.52 ? 305 SER E CA 1 ATOM 2225 C C . SER A 1 305 ? 10.862 20.909 9.540 1.00 10.17 ? 305 SER E C 1 ATOM 2226 O O . SER A 1 305 ? 10.172 21.811 8.985 1.00 10.02 ? 305 SER E O 1 ATOM 2227 C CB . SER A 1 305 ? 9.087 19.747 10.804 1.00 4.06 ? 305 SER E CB 1 ATOM 2228 O OG . SER A 1 305 ? 9.579 20.294 12.041 1.00 7.61 ? 305 SER E OG 1 ATOM 2229 N N . GLN A 1 306 ? 12.119 21.077 9.936 1.00 6.07 ? 306 GLN E N 1 ATOM 2230 C CA . GLN A 1 306 ? 12.757 22.377 9.803 1.00 7.86 ? 306 GLN E CA 1 ATOM 2231 C C . GLN A 1 306 ? 14.121 22.405 9.137 1.00 9.18 ? 306 GLN E C 1 ATOM 2232 O O . GLN A 1 306 ? 14.742 21.346 9.026 1.00 7.86 ? 306 GLN E O 1 ATOM 2233 C CB . GLN A 1 306 ? 13.093 22.881 11.243 1.00 7.36 ? 306 GLN E CB 1 ATOM 2234 C CG . GLN A 1 306 ? 11.945 22.781 12.248 1.00 9.94 ? 306 GLN E CG 1 ATOM 2235 C CD . GLN A 1 306 ? 10.830 23.802 12.054 1.00 12.19 ? 306 GLN E CD 1 ATOM 2236 O OE1 . GLN A 1 306 ? 10.983 25.020 11.902 1.00 13.98 ? 306 GLN E OE1 1 ATOM 2237 N NE2 . GLN A 1 306 ? 9.646 23.210 12.074 1.00 9.37 ? 306 GLN E NE2 1 ATOM 2238 N N . TYR A 1 307 ? 14.444 23.620 8.747 1.00 5.99 ? 307 TYR E N 1 ATOM 2239 C CA . TYR A 1 307 ? 15.835 23.830 8.225 1.00 6.32 ? 307 TYR E CA 1 ATOM 2240 C C . TYR A 1 307 ? 16.436 24.549 9.469 1.00 6.85 ? 307 TYR E C 1 ATOM 2241 O O . TYR A 1 307 ? 15.831 25.535 9.976 1.00 7.23 ? 307 TYR E O 1 ATOM 2242 C CB . TYR A 1 307 ? 15.953 24.668 6.997 1.00 8.28 ? 307 TYR E CB 1 ATOM 2243 C CG . TYR A 1 307 ? 17.338 24.995 6.492 1.00 8.75 ? 307 TYR E CG 1 ATOM 2244 C CD1 . TYR A 1 307 ? 17.872 26.278 6.689 1.00 7.20 ? 307 TYR E CD1 1 ATOM 2245 C CD2 . TYR A 1 307 ? 18.056 24.050 5.769 1.00 9.07 ? 307 TYR E CD2 1 ATOM 2246 C CE1 . TYR A 1 307 ? 19.140 26.580 6.155 1.00 8.35 ? 307 TYR E CE1 1 ATOM 2247 C CE2 . TYR A 1 307 ? 19.305 24.373 5.209 1.00 7.84 ? 307 TYR E CE2 1 ATOM 2248 C CZ . TYR A 1 307 ? 19.848 25.620 5.451 1.00 10.24 ? 307 TYR E CZ 1 ATOM 2249 O OH . TYR A 1 307 ? 21.069 25.921 4.896 1.00 11.46 ? 307 TYR E OH 1 ATOM 2250 N N . VAL A 1 308 ? 17.536 24.003 9.976 1.00 6.51 ? 308 VAL E N 1 ATOM 2251 C CA . VAL A 1 308 ? 18.108 24.561 11.229 1.00 7.44 ? 308 VAL E CA 1 ATOM 2252 C C . VAL A 1 308 ? 19.536 25.088 11.010 1.00 6.82 ? 308 VAL E C 1 ATOM 2253 O O . VAL A 1 308 ? 20.336 24.370 10.400 1.00 7.09 ? 308 VAL E O 1 ATOM 2254 C CB . VAL A 1 308 ? 18.003 23.539 12.378 1.00 10.13 ? 308 VAL E CB 1 ATOM 2255 C CG1 . VAL A 1 308 ? 18.545 24.117 13.703 1.00 8.25 ? 308 VAL E CG1 1 ATOM 2256 C CG2 . VAL A 1 308 ? 16.566 22.992 12.576 1.00 11.15 ? 308 VAL E CG2 1 ATOM 2257 N N . VAL A 1 309 ? 19.726 26.296 11.484 1.00 6.13 ? 309 VAL E N 1 ATOM 2258 C CA . VAL A 1 309 ? 21.053 26.915 11.372 1.00 8.18 ? 309 VAL E CA 1 ATOM 2259 C C . VAL A 1 309 ? 21.704 26.877 12.770 1.00 7.25 ? 309 VAL E C 1 ATOM 2260 O O . VAL A 1 309 ? 21.128 27.396 13.735 1.00 7.73 ? 309 VAL E O 1 ATOM 2261 C CB . VAL A 1 309 ? 20.981 28.363 10.840 1.00 7.17 ? 309 VAL E CB 1 ATOM 2262 C CG1 . VAL A 1 309 ? 22.372 29.002 10.799 1.00 7.77 ? 309 VAL E CG1 1 ATOM 2263 C CG2 . VAL A 1 309 ? 20.362 28.304 9.457 1.00 10.20 ? 309 VAL E CG2 1 ATOM 2264 N N . PHE A 1 310 ? 22.911 26.314 12.760 1.00 7.49 ? 310 PHE E N 1 ATOM 2265 C CA . PHE A 1 310 ? 23.729 26.252 14.003 1.00 6.65 ? 310 PHE E CA 1 ATOM 2266 C C . PHE A 1 310 ? 24.793 27.342 13.822 1.00 7.41 ? 310 PHE E C 1 ATOM 2267 O O . PHE A 1 310 ? 25.779 27.103 13.085 1.00 6.97 ? 310 PHE E O 1 ATOM 2268 C CB . PHE A 1 310 ? 24.347 24.855 14.162 1.00 5.05 ? 310 PHE E CB 1 ATOM 2269 C CG . PHE A 1 310 ? 23.363 23.750 14.387 1.00 5.91 ? 310 PHE E CG 1 ATOM 2270 C CD1 . PHE A 1 310 ? 22.610 23.218 13.330 1.00 7.42 ? 310 PHE E CD1 1 ATOM 2271 C CD2 . PHE A 1 310 ? 23.210 23.223 15.667 1.00 6.43 ? 310 PHE E CD2 1 ATOM 2272 C CE1 . PHE A 1 310 ? 21.700 22.186 13.571 1.00 9.41 ? 310 PHE E CE1 1 ATOM 2273 C CE2 . PHE A 1 310 ? 22.298 22.179 15.928 1.00 8.58 ? 310 PHE E CE2 1 ATOM 2274 C CZ . PHE A 1 310 ? 21.551 21.660 14.861 1.00 10.09 ? 310 PHE E CZ 1 ATOM 2275 N N . ASP A 1 311 ? 24.593 28.467 14.509 1.00 6.66 ? 311 ASP E N 1 ATOM 2276 C CA . ASP A 1 311 ? 25.544 29.589 14.359 1.00 7.93 ? 311 ASP E CA 1 ATOM 2277 C C . ASP A 1 311 ? 26.446 29.823 15.556 1.00 7.78 ? 311 ASP E C 1 ATOM 2278 O O . ASP A 1 311 ? 25.955 30.077 16.684 1.00 9.12 ? 311 ASP E O 1 ATOM 2279 C CB . ASP A 1 311 ? 24.639 30.802 14.029 1.00 12.99 ? 311 ASP E CB 1 ATOM 2280 C CG . ASP A 1 311 ? 25.411 32.022 13.571 1.00 18.72 ? 311 ASP E CG 1 ATOM 2281 O OD1 . ASP A 1 311 ? 26.642 32.090 13.583 1.00 13.52 ? 311 ASP E OD1 1 ATOM 2282 O OD2 . ASP A 1 311 ? 24.665 32.960 13.180 1.00 20.24 ? 311 ASP E OD2 1 ATOM 2283 N N . SER A 1 312 ? 27.763 29.710 15.262 1.00 8.18 ? 312 SER E N 1 ATOM 2284 C CA . SER A 1 312 ? 28.708 29.926 16.376 1.00 11.62 ? 312 SER E CA 1 ATOM 2285 C C . SER A 1 312 ? 28.695 31.392 16.788 1.00 11.38 ? 312 SER E C 1 ATOM 2286 O O . SER A 1 312 ? 29.142 31.553 17.930 1.00 13.95 ? 312 SER E O 1 ATOM 2287 C CB . SER A 1 312 ? 30.090 29.385 16.078 1.00 18.00 ? 312 SER E CB 1 ATOM 2288 O OG . SER A 1 312 ? 30.694 30.255 15.126 1.00 24.45 ? 312 SER E OG 1 ATOM 2289 N N . ASP A 1 313 ? 28.240 32.336 16.014 1.00 12.89 ? 313 ASP E N 1 ATOM 2290 C CA . ASP A 1 313 ? 28.185 33.766 16.477 1.00 14.72 ? 313 ASP E CA 1 ATOM 2291 C C . ASP A 1 313 ? 26.925 33.921 17.344 1.00 14.30 ? 313 ASP E C 1 ATOM 2292 O O . ASP A 1 313 ? 25.788 33.814 16.833 1.00 16.02 ? 313 ASP E O 1 ATOM 2293 C CB . ASP A 1 313 ? 28.165 34.713 15.288 1.00 21.14 ? 313 ASP E CB 1 ATOM 2294 C CG . ASP A 1 313 ? 29.495 34.965 14.598 1.00 35.73 ? 313 ASP E CG 1 ATOM 2295 O OD1 . ASP A 1 313 ? 29.498 35.346 13.390 1.00 40.09 ? 313 ASP E OD1 1 ATOM 2296 O OD2 . ASP A 1 313 ? 30.571 34.785 15.259 1.00 40.09 ? 313 ASP E OD2 1 ATOM 2297 N N . GLY A 1 314 ? 27.093 34.176 18.626 1.00 10.36 ? 314 GLY E N 1 ATOM 2298 C CA . GLY A 1 314 ? 25.968 34.333 19.592 1.00 12.84 ? 314 GLY E CA 1 ATOM 2299 C C . GLY A 1 314 ? 26.334 33.532 20.833 1.00 15.31 ? 314 GLY E C 1 ATOM 2300 O O . GLY A 1 314 ? 26.723 34.100 21.883 1.00 18.44 ? 314 GLY E O 1 ATOM 2301 N N . PRO A 1 315 ? 26.275 32.199 20.786 1.00 12.98 ? 315 PRO E N 1 ATOM 2302 C CA . PRO A 1 315 ? 25.820 31.387 19.632 1.00 10.63 ? 315 PRO E CA 1 ATOM 2303 C C . PRO A 1 315 ? 24.291 31.470 19.528 1.00 9.32 ? 315 PRO E C 1 ATOM 2304 O O . PRO A 1 315 ? 23.622 31.906 20.508 1.00 11.05 ? 315 PRO E O 1 ATOM 2305 C CB . PRO A 1 315 ? 26.340 29.996 19.950 1.00 9.67 ? 315 PRO E CB 1 ATOM 2306 C CG . PRO A 1 315 ? 26.205 29.953 21.457 1.00 12.45 ? 315 PRO E CG 1 ATOM 2307 C CD . PRO A 1 315 ? 26.640 31.333 21.908 1.00 13.71 ? 315 PRO E CD 1 ATOM 2308 N N . GLN A 1 316 ? 23.802 31.044 18.360 1.00 10.04 ? 316 GLN E N 1 ATOM 2309 C CA . GLN A 1 316 ? 22.318 31.066 18.189 1.00 7.96 ? 316 GLN E CA 1 ATOM 2310 C C . GLN A 1 316 ? 21.898 29.984 17.199 1.00 7.77 ? 316 GLN E C 1 ATOM 2311 O O . GLN A 1 316 ? 22.742 29.467 16.456 1.00 9.78 ? 316 GLN E O 1 ATOM 2312 C CB . GLN A 1 316 ? 21.877 32.480 17.776 1.00 14.20 ? 316 GLN E CB 1 ATOM 2313 C CG . GLN A 1 316 ? 22.478 32.919 16.470 1.00 19.55 ? 316 GLN E CG 1 ATOM 2314 C CD . GLN A 1 316 ? 22.042 34.296 16.019 1.00 24.55 ? 316 GLN E CD 1 ATOM 2315 O OE1 . GLN A 1 316 ? 21.317 35.053 16.632 1.00 23.71 ? 316 GLN E OE1 1 ATOM 2316 N NE2 . GLN A 1 316 ? 22.490 34.653 14.800 1.00 32.14 ? 316 GLN E NE2 1 ATOM 2317 N N . LEU A 1 317 ? 20.611 29.679 17.196 1.00 7.08 ? 317 LEU E N 1 ATOM 2318 C CA . LEU A 1 317 ? 20.024 28.696 16.291 1.00 7.21 ? 317 LEU E CA 1 ATOM 2319 C C . LEU A 1 317 ? 18.928 29.421 15.478 1.00 7.76 ? 317 LEU E C 1 ATOM 2320 O O . LEU A 1 317 ? 18.144 30.132 16.115 1.00 10.61 ? 317 LEU E O 1 ATOM 2321 C CB . LEU A 1 317 ? 19.370 27.568 17.075 1.00 7.43 ? 317 LEU E CB 1 ATOM 2322 C CG . LEU A 1 317 ? 20.201 26.439 17.660 1.00 9.16 ? 317 LEU E CG 1 ATOM 2323 C CD1 . LEU A 1 317 ? 19.327 25.656 18.648 1.00 10.96 ? 317 LEU E CD1 1 ATOM 2324 C CD2 . LEU A 1 317 ? 20.620 25.520 16.524 1.00 8.06 ? 317 LEU E CD2 1 ATOM 2325 N N . GLY A 1 318 ? 18.954 29.146 14.176 1.00 7.80 ? 318 GLY E N 1 ATOM 2326 C CA . GLY A 1 318 ? 17.895 29.751 13.323 1.00 8.54 ? 318 GLY E CA 1 ATOM 2327 C C . GLY A 1 318 ? 17.029 28.608 12.842 1.00 8.81 ? 318 GLY E C 1 ATOM 2328 O O . GLY A 1 318 ? 17.507 27.506 12.517 1.00 8.97 ? 318 GLY E O 1 ATOM 2329 N N . PHE A 1 319 ? 15.736 28.905 12.753 1.00 8.35 ? 319 PHE E N 1 ATOM 2330 C CA . PHE A 1 319 ? 14.699 27.969 12.296 1.00 8.12 ? 319 PHE E CA 1 ATOM 2331 C C . PHE A 1 319 ? 13.746 28.534 11.220 1.00 5.23 ? 319 PHE E C 1 ATOM 2332 O O . PHE A 1 319 ? 13.374 29.726 11.243 1.00 7.39 ? 319 PHE E O 1 ATOM 2333 C CB . PHE A 1 319 ? 13.746 27.565 13.463 1.00 7.15 ? 319 PHE E CB 1 ATOM 2334 C CG . PHE A 1 319 ? 14.425 26.921 14.660 1.00 7.42 ? 319 PHE E CG 1 ATOM 2335 C CD1 . PHE A 1 319 ? 14.598 25.537 14.693 1.00 10.94 ? 319 PHE E CD1 1 ATOM 2336 C CD2 . PHE A 1 319 ? 14.939 27.739 15.665 1.00 8.69 ? 319 PHE E CD2 1 ATOM 2337 C CE1 . PHE A 1 319 ? 15.232 24.954 15.789 1.00 10.01 ? 319 PHE E CE1 1 ATOM 2338 C CE2 . PHE A 1 319 ? 15.583 27.134 16.773 1.00 15.49 ? 319 PHE E CE2 1 ATOM 2339 C CZ . PHE A 1 319 ? 15.718 25.725 16.829 1.00 10.07 ? 319 PHE E CZ 1 ATOM 2340 N N . ALA A 1 320 ? 13.371 27.640 10.323 1.00 6.23 ? 320 ALA E N 1 ATOM 2341 C CA . ALA A 1 320 ? 12.373 27.965 9.291 1.00 5.37 ? 320 ALA E CA 1 ATOM 2342 C C . ALA A 1 320 ? 11.820 26.609 8.842 1.00 6.72 ? 320 ALA E C 1 ATOM 2343 O O . ALA A 1 320 ? 12.530 25.562 8.939 1.00 7.28 ? 320 ALA E O 1 ATOM 2344 C CB . ALA A 1 320 ? 12.875 28.852 8.151 1.00 7.06 ? 320 ALA E CB 1 ATOM 2345 N N . PRO A 1 321 ? 10.593 26.588 8.354 1.00 6.85 ? 321 PRO E N 1 ATOM 2346 C CA . PRO A 1 321 ? 9.985 25.358 7.835 1.00 7.44 ? 321 PRO E CA 1 ATOM 2347 C C . PRO A 1 321 ? 10.726 24.911 6.580 1.00 9.13 ? 321 PRO E C 1 ATOM 2348 O O . PRO A 1 321 ? 11.050 25.744 5.717 1.00 9.15 ? 321 PRO E O 1 ATOM 2349 C CB . PRO A 1 321 ? 8.543 25.773 7.470 1.00 10.12 ? 321 PRO E CB 1 ATOM 2350 C CG . PRO A 1 321 ? 8.347 27.110 8.141 1.00 9.22 ? 321 PRO E CG 1 ATOM 2351 C CD . PRO A 1 321 ? 9.737 27.792 8.212 1.00 7.38 ? 321 PRO E CD 1 ATOM 2352 N N . GLN A 1 322 ? 10.977 23.612 6.486 1.00 10.61 ? 322 GLN E N 1 ATOM 2353 C CA . GLN A 1 322 ? 11.676 23.060 5.311 1.00 11.18 ? 322 GLN E CA 1 ATOM 2354 C C . GLN A 1 322 ? 10.808 23.244 4.065 1.00 15.27 ? 322 GLN E C 1 ATOM 2355 O O . GLN A 1 322 ? 9.562 23.095 4.158 1.00 13.21 ? 322 GLN E O 1 ATOM 2356 C CB . GLN A 1 322 ? 11.957 21.558 5.505 1.00 14.25 ? 322 GLN E CB 1 ATOM 2357 C CG . GLN A 1 322 ? 13.335 21.339 6.079 1.00 16.32 ? 322 GLN E CG 1 ATOM 2358 C CD . GLN A 1 322 ? 13.677 19.851 6.025 1.00 16.24 ? 322 GLN E CD 1 ATOM 2359 O OE1 . GLN A 1 322 ? 13.485 19.235 4.986 1.00 18.58 ? 322 GLN E OE1 1 ATOM 2360 N NE2 . GLN A 1 322 ? 14.131 19.345 7.155 1.00 10.69 ? 322 GLN E NE2 1 ATOM 2361 N N . ALA A 1 323 ? 11.505 23.555 2.985 1.00 15.52 ? 323 ALA E N 1 ATOM 2362 C CA . ALA A 1 323 ? 10.763 23.768 1.715 1.00 22.39 ? 323 ALA E CA 1 ATOM 2363 C C . ALA A 1 323 ? 10.472 22.401 1.079 1.00 27.79 ? 323 ALA E C 1 ATOM 2364 O O . ALA A 1 323 ? 11.193 21.428 1.421 1.00 31.05 ? 323 ALA E O 1 ATOM 2365 C CB . ALA A 1 323 ? 11.476 24.715 0.820 1.00 17.50 ? 323 ALA E CB 1 ATOM 2366 O OXT . ALA A 1 323 ? 9.519 22.386 0.274 1.00 38.76 ? 323 ALA E OXT 1 HETATM 2367 C CA . IVA B 2 1 ? 15.997 4.534 17.842 1.00 19.16 ? 4 IVA I CA 1 HETATM 2368 C CB . IVA B 2 1 ? 14.811 3.832 18.483 1.00 20.56 ? 4 IVA I CB 1 HETATM 2369 C CG1 . IVA B 2 1 ? 14.378 4.660 19.691 1.00 28.73 ? 4 IVA I CG1 1 HETATM 2370 C CG2 . IVA B 2 1 ? 13.619 3.699 17.565 1.00 18.75 ? 4 IVA I CG2 1 HETATM 2371 C C . IVA B 2 1 ? 17.154 4.737 18.842 1.00 18.72 ? 4 IVA I C 1 HETATM 2372 O O . IVA B 2 1 ? 17.210 4.079 19.924 1.00 22.03 ? 4 IVA I O 1 ATOM 2373 N N . VAL B 2 2 ? 18.049 5.609 18.482 1.00 10.88 ? 3 VAL I N 1 ATOM 2374 C CA . VAL B 2 2 ? 19.236 5.882 19.338 1.00 8.15 ? 3 VAL I CA 1 ATOM 2375 C C . VAL B 2 2 ? 19.145 7.246 20.012 1.00 8.53 ? 3 VAL I C 1 ATOM 2376 O O . VAL B 2 2 ? 18.298 8.101 19.603 1.00 6.63 ? 3 VAL I O 1 ATOM 2377 C CB . VAL B 2 2 ? 20.424 5.690 18.390 1.00 4.89 ? 3 VAL I CB 1 ATOM 2378 C CG1 . VAL B 2 2 ? 20.473 4.256 17.839 1.00 12.80 ? 3 VAL I CG1 1 ATOM 2379 C CG2 . VAL B 2 2 ? 20.312 6.625 17.164 1.00 8.57 ? 3 VAL I CG2 1 ATOM 2380 N N . VAL B 2 3 ? 20.033 7.389 20.990 1.00 4.98 ? 2 VAL I N 1 ATOM 2381 C CA . VAL B 2 3 ? 20.150 8.659 21.739 1.00 6.45 ? 2 VAL I CA 1 ATOM 2382 C C . VAL B 2 3 ? 21.661 8.992 21.823 1.00 8.87 ? 2 VAL I C 1 ATOM 2383 O O . VAL B 2 3 ? 22.327 8.394 22.705 1.00 7.86 ? 2 VAL I O 1 ATOM 2384 C CB . VAL B 2 3 ? 19.463 8.603 23.113 1.00 6.28 ? 2 VAL I CB 1 ATOM 2385 C CG1 . VAL B 2 3 ? 19.516 9.981 23.831 1.00 10.50 ? 2 VAL I CG1 1 ATOM 2386 C CG2 . VAL B 2 3 ? 18.016 8.175 22.968 1.00 7.23 ? 2 VAL I CG2 1 HETATM 2387 N N . LTA B 2 4 ? 22.103 9.879 20.933 1.00 7.85 ? 1 LTA I N 1 HETATM 2388 C CA . LTA B 2 4 ? 23.550 10.215 20.947 1.00 9.18 ? 1 LTA I CA 1 HETATM 2389 C CB . LTA B 2 4 ? 24.217 9.842 19.633 1.00 7.41 ? 1 LTA I CB 1 HETATM 2390 C CG . LTA B 2 4 ? 24.057 8.495 19.047 1.00 12.23 ? 1 LTA I CG 1 HETATM 2391 C CD . LTA B 2 4 ? 24.459 7.284 19.878 1.00 13.78 ? 1 LTA I CD 1 HETATM 2392 C CE . LTA B 2 4 ? 24.338 6.055 18.911 1.00 12.67 ? 1 LTA I CE 1 HETATM 2393 N NZ . LTA B 2 4 ? 24.252 4.930 19.891 1.00 12.67 ? 1 LTA I NZ 1 HETATM 2394 C C . LTA B 2 4 ? 23.736 11.739 21.120 1.00 11.45 ? 1 LTA I C 1 HETATM 2395 O O . LTA B 2 4 ? 23.220 12.470 20.180 1.00 9.25 ? 1 LTA I O 1 HETATM 2396 C C2 . LTA B 2 4 ? 23.080 12.076 22.426 1.00 19.28 ? 1 LTA I C2 1 HETATM 2397 C C1 . LTA B 2 4 ? 23.994 12.299 23.603 1.00 33.14 ? 1 LTA I C1 1 HETATM 2398 O O1 . LTA B 2 4 ? 24.452 11.240 24.133 1.00 32.13 ? 1 LTA I O1 1 HETATM 2399 O O2 . LTA B 2 4 ? 23.436 13.369 24.219 1.00 41.43 ? 1 LTA I O2 1 HETATM 2400 C C9 . LTA B 2 4 ? 22.279 13.205 25.168 1.00 44.53 ? 1 LTA I C9 1 HETATM 2401 C C10 . LTA B 2 4 ? 21.665 14.556 25.501 1.00 43.52 ? 1 LTA I C10 1 HETATM 2402 C C1 . MAN C 3 . ? 30.105 27.996 -0.420 1.00 14.88 ? 334 MAN E C1 1 HETATM 2403 C C2 . MAN C 3 . ? 30.163 27.509 -1.854 1.00 17.85 ? 334 MAN E C2 1 HETATM 2404 C C3 . MAN C 3 . ? 31.574 27.722 -2.417 1.00 19.47 ? 334 MAN E C3 1 HETATM 2405 C C4 . MAN C 3 . ? 31.988 29.191 -2.243 1.00 17.35 ? 334 MAN E C4 1 HETATM 2406 C C5 . MAN C 3 . ? 31.951 29.489 -0.746 1.00 17.64 ? 334 MAN E C5 1 HETATM 2407 C C6 . MAN C 3 . ? 32.385 30.904 -0.343 1.00 18.69 ? 334 MAN E C6 1 HETATM 2408 O O2 . MAN C 3 . ? 29.191 28.384 -2.522 1.00 19.78 ? 334 MAN E O2 1 HETATM 2409 O O3 . MAN C 3 . ? 31.552 27.425 -3.823 1.00 23.12 ? 334 MAN E O3 1 HETATM 2410 O O4 . MAN C 3 . ? 33.308 29.371 -2.744 1.00 17.90 ? 334 MAN E O4 1 HETATM 2411 O O5 . MAN C 3 . ? 30.574 29.331 -0.285 1.00 14.73 ? 334 MAN E O5 1 HETATM 2412 O O6 . MAN C 3 . ? 31.382 31.823 -0.779 1.00 22.65 ? 334 MAN E O6 1 HETATM 2413 O O . HOH D 4 . ? 34.042 16.388 15.268 1.00 6.08 ? 335 HOH E O 1 HETATM 2414 O O . HOH D 4 . ? 46.701 8.081 21.524 1.00 10.87 ? 336 HOH E O 1 HETATM 2415 O O . HOH D 4 . ? 35.621 15.952 17.578 1.00 8.73 ? 337 HOH E O 1 HETATM 2416 O O . HOH D 4 . ? 23.064 19.723 20.959 1.00 8.61 ? 338 HOH E O 1 HETATM 2417 O O . HOH D 4 . ? 13.499 9.841 12.843 1.00 7.72 ? 339 HOH E O 1 HETATM 2418 O O . HOH D 4 . ? 16.800 19.475 9.569 1.00 7.77 ? 340 HOH E O 1 HETATM 2419 O O . HOH D 4 . ? 37.916 14.502 17.781 1.00 9.40 ? 341 HOH E O 1 HETATM 2420 O O . HOH D 4 . ? 24.370 23.484 26.893 1.00 9.26 ? 342 HOH E O 1 HETATM 2421 O O . HOH D 4 . ? 16.586 30.291 23.248 1.00 12.76 ? 343 HOH E O 1 HETATM 2422 O O . HOH D 4 . ? 41.066 18.361 16.472 1.00 8.43 ? 344 HOH E O 1 HETATM 2423 O O . HOH D 4 . ? 2.476 27.018 21.668 1.00 24.22 ? 345 HOH E O 1 HETATM 2424 O O . HOH D 4 . ? 36.200 3.091 2.281 1.00 12.55 ? 346 HOH E O 1 HETATM 2425 O O . HOH D 4 . ? 8.750 18.497 27.419 1.00 11.13 ? 347 HOH E O 1 HETATM 2426 O O . HOH D 4 . ? 13.600 31.202 1.912 1.00 10.52 ? 348 HOH E O 1 HETATM 2427 O O . HOH D 4 . ? 22.344 22.908 0.257 1.00 11.84 ? 349 HOH E O 1 HETATM 2428 O O . HOH D 4 . ? 31.518 14.536 23.480 1.00 8.92 ? 350 HOH E O 1 HETATM 2429 O O . HOH D 4 . ? 45.188 9.305 28.610 0.81 22.91 ? 351 HOH E O 1 HETATM 2430 O O . HOH D 4 . ? 17.773 13.347 4.845 1.00 7.92 ? 352 HOH E O 1 HETATM 2431 O O . HOH D 4 . ? -1.830 8.779 27.939 0.53 20.85 ? 353 HOH E O 1 HETATM 2432 O O . HOH D 4 . ? 28.247 7.120 1.355 0.98 15.57 ? 354 HOH E O 1 HETATM 2433 O O . HOH D 4 . ? 31.206 1.761 5.119 0.94 18.35 ? 355 HOH E O 1 HETATM 2434 O O . HOH D 4 . ? 14.798 8.810 27.259 0.75 15.41 ? 356 HOH E O 1 HETATM 2435 O O . HOH D 4 . ? 11.192 31.468 10.852 1.00 13.42 ? 357 HOH E O 1 HETATM 2436 O O . HOH D 4 . ? 9.009 10.738 10.787 0.84 13.21 ? 358 HOH E O 1 HETATM 2437 O O . HOH D 4 . ? 18.863 29.421 25.598 0.68 17.90 ? 359 HOH E O 1 HETATM 2438 O O . HOH D 4 . ? 30.620 25.086 25.882 1.00 27.93 ? 360 HOH E O 1 HETATM 2439 O O . HOH D 4 . ? 42.328 19.762 18.765 0.80 11.71 ? 361 HOH E O 1 HETATM 2440 O O . HOH D 4 . ? 31.573 22.382 17.415 1.00 18.18 ? 362 HOH E O 1 HETATM 2441 O O . HOH D 4 . ? -3.419 18.897 15.633 0.90 14.69 ? 363 HOH E O 1 HETATM 2442 O O . HOH D 4 . ? 7.083 25.094 11.371 0.92 11.37 ? 364 HOH E O 1 HETATM 2443 O O . HOH D 4 . ? 21.770 11.030 12.678 1.00 9.86 ? 365 HOH E O 1 HETATM 2444 O O . HOH D 4 . ? 37.414 4.949 0.432 0.96 14.09 ? 366 HOH E O 1 HETATM 2445 O O . HOH D 4 . ? 7.794 6.935 26.078 0.93 8.96 ? 367 HOH E O 1 HETATM 2446 O O . HOH D 4 . ? 12.089 31.025 22.813 0.99 23.12 ? 368 HOH E O 1 HETATM 2447 O O . HOH D 4 . ? 16.469 34.797 5.884 1.00 20.53 ? 369 HOH E O 1 HETATM 2448 O O . HOH D 4 . ? 29.193 0.725 7.528 1.00 22.85 ? 370 HOH E O 1 HETATM 2449 O O . HOH D 4 . ? 34.253 15.561 0.324 1.00 20.61 ? 371 HOH E O 1 HETATM 2450 O O . HOH D 4 . ? 37.535 1.045 2.970 0.73 20.71 ? 372 HOH E O 1 HETATM 2451 O O . HOH D 4 . ? -2.188 21.187 17.221 0.86 17.44 ? 373 HOH E O 1 HETATM 2452 O O . HOH D 4 . ? 11.995 15.575 32.793 1.00 16.62 ? 374 HOH E O 1 HETATM 2453 O O . HOH D 4 . ? 11.821 19.330 28.997 0.95 14.36 ? 375 HOH E O 1 HETATM 2454 O O . HOH D 4 . ? 3.299 26.551 19.517 0.99 24.98 ? 376 HOH E O 1 HETATM 2455 O O . HOH D 4 . ? 46.307 -0.890 13.700 0.77 27.82 ? 377 HOH E O 1 HETATM 2456 O O . HOH D 4 . ? 19.663 9.482 14.928 0.93 6.42 ? 378 HOH E O 1 HETATM 2457 O O . HOH D 4 . ? 0.125 8.276 32.225 0.47 31.64 ? 379 HOH E O 1 HETATM 2458 O O . HOH D 4 . ? 18.455 26.921 27.087 0.87 15.97 ? 380 HOH E O 1 HETATM 2459 O O . HOH D 4 . ? 38.117 15.958 28.082 0.80 23.38 ? 381 HOH E O 1 HETATM 2460 O O . HOH D 4 . ? 25.247 12.117 9.200 1.00 16.68 ? 382 HOH E O 1 HETATM 2461 O O . HOH D 4 . ? 13.942 22.365 30.776 0.99 9.78 ? 383 HOH E O 1 HETATM 2462 O O . HOH D 4 . ? -8.312 8.160 23.958 0.40 23.60 ? 384 HOH E O 1 HETATM 2463 O O . HOH D 4 . ? 9.492 31.067 7.736 0.80 26.59 ? 385 HOH E O 1 HETATM 2464 O O . HOH D 4 . ? 51.454 13.285 23.081 1.00 22.74 ? 386 HOH E O 1 HETATM 2465 O O . HOH D 4 . ? -0.035 26.190 18.723 0.45 31.09 ? 387 HOH E O 1 HETATM 2466 O O . HOH D 4 . ? 23.047 13.335 11.160 0.93 11.14 ? 388 HOH E O 1 HETATM 2467 O O . HOH D 4 . ? 46.560 18.014 22.595 1.00 26.30 ? 389 HOH E O 1 HETATM 2468 O O . HOH D 4 . ? 18.431 22.086 27.665 0.70 18.13 ? 390 HOH E O 1 HETATM 2469 O O . HOH D 4 . ? 27.134 4.298 33.909 0.84 17.06 ? 391 HOH E O 1 HETATM 2470 O O . HOH D 4 . ? 53.660 2.961 9.662 0.55 29.29 ? 392 HOH E O 1 HETATM 2471 O O . HOH D 4 . ? 38.477 8.080 -0.745 0.98 17.98 ? 393 HOH E O 1 HETATM 2472 O O . HOH D 4 . ? 25.569 -1.135 23.864 0.50 8.62 ? 394 HOH E O 1 HETATM 2473 O O . HOH D 4 . ? 0.797 -1.329 28.217 0.69 13.35 ? 395 HOH E O 1 HETATM 2474 O O . HOH D 4 . ? 35.050 -4.074 21.356 0.82 17.33 ? 396 HOH E O 1 HETATM 2475 O O . HOH D 4 . ? 27.436 33.672 11.661 0.50 21.02 ? 397 HOH E O 1 HETATM 2476 O O . HOH D 4 . ? 27.964 1.510 14.581 0.81 10.44 ? 398 HOH E O 1 HETATM 2477 O O . HOH D 4 . ? 33.055 25.186 20.685 0.80 17.28 ? 399 HOH E O 1 HETATM 2478 O O . HOH D 4 . ? 25.159 32.315 3.417 0.79 21.38 ? 400 HOH E O 1 HETATM 2479 O O . HOH D 4 . ? 41.643 -9.765 15.927 0.60 26.47 ? 401 HOH E O 1 HETATM 2480 O O . HOH D 4 . ? 40.292 27.191 10.167 0.50 20.45 ? 402 HOH E O 1 HETATM 2481 O O . HOH D 4 . ? 0.293 22.073 17.044 0.82 19.33 ? 403 HOH E O 1 HETATM 2482 O O . HOH D 4 . ? 15.359 36.341 14.251 0.57 12.32 ? 404 HOH E O 1 HETATM 2483 O O . HOH D 4 . ? 30.844 22.647 28.938 0.80 29.35 ? 405 HOH E O 1 HETATM 2484 O O . HOH D 4 . ? 21.767 6.493 29.838 0.65 29.09 ? 406 HOH E O 1 HETATM 2485 O O . HOH D 4 . ? 41.694 23.323 8.968 0.80 29.67 ? 407 HOH E O 1 HETATM 2486 O O . HOH D 4 . ? 40.273 15.578 31.427 0.55 26.31 ? 408 HOH E O 1 HETATM 2487 O O . HOH D 4 . ? 1.392 -3.093 24.850 0.70 28.48 ? 410 HOH E O 1 HETATM 2488 O O . HOH D 4 . ? 34.155 13.240 29.797 0.50 35.49 ? 411 HOH E O 1 HETATM 2489 O O . HOH D 4 . ? 32.429 -3.082 25.104 0.60 32.61 ? 412 HOH E O 1 HETATM 2490 O O . HOH D 4 . ? 47.454 20.825 30.872 0.80 22.60 ? 413 HOH E O 1 HETATM 2491 O O . HOH D 4 . ? 48.502 1.809 16.375 0.80 30.15 ? 414 HOH E O 1 HETATM 2492 O O . HOH D 4 . ? 40.884 13.840 3.957 0.45 17.87 ? 415 HOH E O 1 HETATM 2493 O O . HOH D 4 . ? 31.270 14.338 2.498 0.86 19.09 ? 416 HOH E O 1 HETATM 2494 O O . HOH D 4 . ? 36.892 13.759 29.523 0.50 20.87 ? 417 HOH E O 1 HETATM 2495 O O . HOH D 4 . ? -6.488 16.360 19.079 0.45 21.54 ? 418 HOH E O 1 HETATM 2496 O O . HOH D 4 . ? -2.601 16.334 12.505 0.80 26.67 ? 419 HOH E O 1 HETATM 2497 O O . HOH D 4 . ? 24.810 17.401 -3.023 0.80 32.61 ? 420 HOH E O 1 HETATM 2498 O O . HOH D 4 . ? 9.831 13.355 32.390 0.82 18.09 ? 421 HOH E O 1 HETATM 2499 O O . HOH D 4 . ? -5.024 7.188 24.205 0.83 20.25 ? 422 HOH E O 1 HETATM 2500 O O . HOH D 4 . ? 38.677 27.649 13.476 0.57 9.85 ? 423 HOH E O 1 HETATM 2501 O O . HOH D 4 . ? 46.596 5.661 24.221 0.59 29.34 ? 424 HOH E O 1 HETATM 2502 O O . HOH D 4 . ? 34.098 31.916 9.697 0.90 17.98 ? 425 HOH E O 1 HETATM 2503 O O . HOH D 4 . ? 22.261 22.802 28.339 0.80 20.77 ? 426 HOH E O 1 HETATM 2504 O O . HOH D 4 . ? 7.054 0.973 27.305 1.00 20.84 ? 427 HOH E O 1 HETATM 2505 O O . HOH D 4 . ? 10.520 7.693 10.469 1.00 24.57 ? 428 HOH E O 1 HETATM 2506 O O . HOH D 4 . ? 32.251 32.532 15.802 0.60 25.45 ? 429 HOH E O 1 HETATM 2507 O O . HOH D 4 . ? 42.949 -5.910 16.290 0.98 28.19 ? 430 HOH E O 1 HETATM 2508 O O . HOH D 4 . ? 37.805 -4.436 21.602 0.76 16.89 ? 431 HOH E O 1 HETATM 2509 O O . HOH D 4 . ? 38.015 20.711 23.533 0.79 26.58 ? 432 HOH E O 1 HETATM 2510 O O . HOH D 4 . ? 34.125 12.951 1.608 0.96 24.26 ? 433 HOH E O 1 HETATM 2511 O O . HOH D 4 . ? 24.828 10.122 2.600 0.58 9.65 ? 434 HOH E O 1 HETATM 2512 O O . HOH D 4 . ? 0.291 29.475 23.905 0.60 28.92 ? 435 HOH E O 1 HETATM 2513 O O . HOH D 4 . ? 7.604 21.689 8.032 0.57 13.74 ? 436 HOH E O 1 HETATM 2514 O O . HOH D 4 . ? 23.973 34.413 9.087 0.45 26.73 ? 437 HOH E O 1 HETATM 2515 O O . HOH D 4 . ? 42.483 4.404 6.758 0.87 17.01 ? 438 HOH E O 1 HETATM 2516 O O . HOH D 4 . ? 7.296 22.882 5.732 0.45 24.85 ? 439 HOH E O 1 HETATM 2517 O O . HOH D 4 . ? 22.654 21.685 -2.277 0.83 27.63 ? 440 HOH E O 1 HETATM 2518 O O . HOH D 4 . ? 14.488 21.484 2.373 0.81 34.94 ? 441 HOH E O 1 HETATM 2519 O O . HOH D 4 . ? -7.540 22.637 25.012 0.71 19.37 ? 442 HOH E O 1 HETATM 2520 O O . HOH D 4 . ? -0.180 1.810 28.475 0.61 20.86 ? 443 HOH E O 1 HETATM 2521 O O . HOH D 4 . ? 16.312 15.341 -1.419 0.57 14.04 ? 444 HOH E O 1 HETATM 2522 O O . HOH D 4 . ? 43.912 3.415 24.661 0.60 13.81 ? 445 HOH E O 1 HETATM 2523 O O . HOH D 4 . ? 55.514 12.313 22.122 0.57 17.93 ? 446 HOH E O 1 HETATM 2524 O O . HOH D 4 . ? 11.063 28.542 28.601 0.45 22.34 ? 447 HOH E O 1 HETATM 2525 O O . HOH D 4 . ? 48.595 10.093 30.068 0.55 30.97 ? 448 HOH E O 1 HETATM 2526 O O . HOH D 4 . ? 44.877 6.127 6.489 0.66 18.99 ? 449 HOH E O 1 HETATM 2527 O O . HOH D 4 . ? 40.035 4.097 0.252 0.50 23.09 ? 450 HOH E O 1 HETATM 2528 O O . HOH D 4 . ? 32.782 0.243 25.004 0.60 21.18 ? 451 HOH E O 1 HETATM 2529 O O . HOH D 4 . ? 30.609 11.464 19.435 0.79 5.86 ? 452 HOH E O 1 HETATM 2530 O O . HOH D 4 . ? 25.916 35.486 12.668 0.67 24.56 ? 453 HOH E O 1 HETATM 2531 O O . HOH D 4 . ? 19.089 35.296 18.715 0.61 24.67 ? 454 HOH E O 1 HETATM 2532 O O . HOH D 4 . ? -8.786 16.498 22.292 0.80 26.23 ? 455 HOH E O 1 HETATM 2533 O O . HOH D 4 . ? 22.426 -2.427 11.217 0.70 27.78 ? 456 HOH E O 1 HETATM 2534 O O . HOH D 4 . ? 6.717 9.899 8.669 0.45 23.01 ? 457 HOH E O 1 HETATM 2535 O O . HOH D 4 . ? 34.709 32.273 13.956 0.60 27.32 ? 458 HOH E O 1 HETATM 2536 O O . HOH D 4 . ? 5.553 8.879 29.699 0.65 26.06 ? 459 HOH E O 1 HETATM 2537 O O . HOH D 4 . ? 24.204 14.965 -2.870 0.80 30.16 ? 460 HOH E O 1 HETATM 2538 O O . HOH D 4 . ? -0.713 17.994 9.671 0.70 30.45 ? 461 HOH E O 1 HETATM 2539 O O . HOH D 4 . ? 38.213 -0.178 5.118 0.63 20.12 ? 462 HOH E O 1 HETATM 2540 O O . HOH D 4 . ? 27.199 18.029 29.082 0.72 15.03 ? 463 HOH E O 1 HETATM 2541 O O . HOH D 4 . ? 53.137 11.595 20.571 0.57 17.07 ? 464 HOH E O 1 HETATM 2542 O O . HOH D 4 . ? 45.794 18.609 18.466 0.54 22.64 ? 465 HOH E O 1 HETATM 2543 O O . HOH D 4 . ? -8.719 24.915 25.025 0.87 18.03 ? 466 HOH E O 1 HETATM 2544 O O . HOH D 4 . ? 25.665 30.481 25.479 0.69 21.17 ? 467 HOH E O 1 HETATM 2545 O O . HOH D 4 . ? 11.850 7.032 25.789 0.68 18.93 ? 469 HOH E O 1 HETATM 2546 O O . HOH D 4 . ? 17.798 1.762 10.590 0.55 22.65 ? 470 HOH E O 1 HETATM 2547 O O . HOH D 4 . ? 0.019 15.539 9.112 0.72 23.99 ? 471 HOH E O 1 HETATM 2548 O O . HOH D 4 . ? 48.046 15.016 11.250 0.83 23.53 ? 472 HOH E O 1 HETATM 2549 O O . HOH D 4 . ? -6.913 9.522 17.636 0.60 23.95 ? 474 HOH E O 1 HETATM 2550 O O . HOH D 4 . ? 42.235 20.384 15.114 0.70 30.13 ? 475 HOH E O 1 HETATM 2551 O O . HOH D 4 . ? 28.263 -3.590 25.676 0.60 28.31 ? 476 HOH E O 1 HETATM 2552 O O . HOH D 4 . ? 21.085 32.801 2.022 0.65 25.21 ? 477 HOH E O 1 HETATM 2553 O O . HOH D 4 . ? 9.886 0.892 27.081 0.75 24.22 ? 478 HOH E O 1 HETATM 2554 O O . HOH D 4 . ? 36.573 -4.065 7.426 0.71 21.18 ? 479 HOH E O 1 HETATM 2555 O O . HOH D 4 . ? 13.458 4.591 1.391 0.79 20.16 ? 480 HOH E O 1 HETATM 2556 O O . HOH D 4 . ? 11.503 34.195 1.587 0.40 24.72 ? 481 HOH E O 1 HETATM 2557 O O . HOH D 4 . ? 35.834 15.030 31.570 0.55 25.73 ? 482 HOH E O 1 HETATM 2558 O O . HOH D 4 . ? 6.085 22.009 30.029 0.60 29.29 ? 483 HOH E O 1 HETATM 2559 O O . HOH D 4 . ? 27.098 13.598 24.788 0.66 28.09 ? 484 HOH E O 1 HETATM 2560 O O . HOH D 4 . ? 16.870 34.478 22.684 0.64 18.71 ? 485 HOH E O 1 HETATM 2561 O O . HOH D 4 . ? 28.381 32.144 3.403 0.62 16.93 ? 486 HOH E O 1 HETATM 2562 O O . HOH D 4 . ? 30.597 20.948 -1.594 0.65 18.16 ? 487 HOH E O 1 HETATM 2563 O O . HOH D 4 . ? 29.067 31.498 0.801 0.63 23.24 ? 488 HOH E O 1 HETATM 2564 O O . HOH D 4 . ? 11.533 17.078 5.523 0.50 22.27 ? 489 HOH E O 1 HETATM 2565 O O . HOH D 4 . ? 46.585 16.659 8.594 0.61 23.06 ? 490 HOH E O 1 HETATM 2566 O O . HOH D 4 . ? 48.588 13.148 9.810 0.66 23.30 ? 491 HOH E O 1 HETATM 2567 O O . HOH D 4 . ? 26.979 -8.109 19.112 0.40 27.50 ? 492 HOH E O 1 HETATM 2568 O O . HOH D 4 . ? -5.246 17.834 12.314 0.60 17.98 ? 493 HOH E O 1 HETATM 2569 O O . HOH D 4 . ? 13.686 1.684 13.978 0.76 27.87 ? 494 HOH E O 1 HETATM 2570 O O . HOH D 4 . ? 22.135 8.940 15.668 0.83 7.52 ? 495 HOH E O 1 HETATM 2571 O O . HOH D 4 . ? 10.877 14.951 4.348 0.50 16.93 ? 496 HOH E O 1 HETATM 2572 O O . HOH D 4 . ? 6.390 6.826 5.386 0.45 26.54 ? 497 HOH E O 1 HETATM 2573 O O . HOH D 4 . ? 20.471 33.932 4.799 0.50 24.79 ? 498 HOH E O 1 HETATM 2574 O O . HOH D 4 . ? 34.572 -6.117 5.332 0.40 32.02 ? 499 HOH E O 1 HETATM 2575 O O . HOH D 4 . ? 30.401 -0.558 4.759 0.40 15.96 ? 500 HOH E O 1 HETATM 2576 O O . HOH D 4 . ? 27.742 2.344 5.841 0.50 15.96 ? 501 HOH E O 1 HETATM 2577 O O . HOH D 4 . ? 32.431 35.972 4.197 0.50 20.26 ? 502 HOH E O 1 HETATM 2578 O O . HOH D 4 . ? 21.299 3.398 4.171 0.50 34.11 ? 503 HOH E O 1 HETATM 2579 O O . HOH D 4 . ? 7.507 24.859 3.757 0.50 21.10 ? 504 HOH E O 1 HETATM 2580 O O . HOH D 4 . ? 38.906 23.251 2.730 0.50 16.09 ? 505 HOH E O 1 HETATM 2581 O O . HOH D 4 . ? 20.327 23.582 -3.476 0.50 25.51 ? 506 HOH E O 1 HETATM 2582 O O . HOH D 4 . ? 14.960 33.515 2.190 0.50 21.02 ? 507 HOH E O 1 HETATM 2583 O O . HOH D 4 . ? 38.278 18.326 -1.741 0.50 29.18 ? 508 HOH E O 1 HETATM 2584 O O . HOH D 4 . ? 14.480 22.650 -1.620 0.40 30.19 ? 509 HOH E O 1 HETATM 2585 O O . HOH D 4 . ? 33.700 22.778 -1.027 0.50 21.89 ? 510 HOH E O 1 HETATM 2586 O O . HOH D 4 . ? 28.780 14.413 0.794 0.80 20.61 ? 511 HOH E O 1 HETATM 2587 O O . HOH D 4 . ? 25.962 32.506 0.742 0.70 36.84 ? 512 HOH E O 1 HETATM 2588 O O . HOH D 4 . ? 36.054 13.689 -0.690 0.55 29.57 ? 513 HOH E O 1 HETATM 2589 O O . HOH D 4 . ? 36.337 24.570 0.575 0.50 34.82 ? 514 HOH E O 1 HETATM 2590 O O . HOH D 4 . ? 32.792 11.288 -0.267 0.60 33.48 ? 515 HOH E O 1 HETATM 2591 O O . HOH D 4 . ? 5.014 13.132 6.329 0.45 30.39 ? 516 HOH E O 1 HETATM 2592 O O . HOH D 4 . ? 39.723 24.319 6.114 0.50 21.07 ? 517 HOH E O 1 HETATM 2593 O O . HOH D 4 . ? 53.503 5.300 6.739 0.60 29.77 ? 518 HOH E O 1 HETATM 2594 O O . HOH D 4 . ? 36.873 32.743 6.907 0.60 28.02 ? 519 HOH E O 1 HETATM 2595 O O . HOH D 4 . ? 9.271 4.795 8.471 0.40 25.50 ? 520 HOH E O 1 HETATM 2596 O O . HOH D 4 . ? 2.984 9.064 8.513 0.50 18.91 ? 521 HOH E O 1 HETATM 2597 O O . HOH D 4 . ? 20.105 34.627 8.336 0.45 18.00 ? 522 HOH E O 1 HETATM 2598 O O . HOH D 4 . ? 16.424 36.205 9.375 0.40 18.33 ? 523 HOH E O 1 HETATM 2599 O O . HOH D 4 . ? -3.906 8.578 8.889 0.40 22.95 ? 524 HOH E O 1 HETATM 2600 O O . HOH D 4 . ? 5.399 22.485 9.948 0.60 31.97 ? 525 HOH E O 1 HETATM 2601 O O . HOH D 4 . ? -0.014 21.667 10.164 0.55 42.42 ? 526 HOH E O 1 HETATM 2602 O O . HOH D 4 . ? -0.321 7.687 11.348 0.40 27.44 ? 527 HOH E O 1 HETATM 2603 O O . HOH D 4 . ? 34.433 33.780 11.516 0.40 18.98 ? 528 HOH E O 1 HETATM 2604 O O . HOH D 4 . ? -11.827 10.923 11.493 0.50 33.52 ? 529 HOH E O 1 HETATM 2605 O O . HOH D 4 . ? 10.583 -1.520 11.598 0.50 30.31 ? 530 HOH E O 1 HETATM 2606 O O . HOH D 4 . ? 52.635 3.936 11.896 0.40 22.16 ? 531 HOH E O 1 HETATM 2607 O O . HOH D 4 . ? 43.294 -8.317 13.856 0.60 28.83 ? 532 HOH E O 1 HETATM 2608 O O . HOH D 4 . ? 28.708 -3.336 13.460 0.40 17.22 ? 533 HOH E O 1 HETATM 2609 O O . HOH D 4 . ? 3.958 32.130 14.978 0.70 20.25 ? 534 HOH E O 1 HETATM 2610 O O . HOH D 4 . ? 5.277 31.307 12.999 0.65 34.74 ? 535 HOH E O 1 HETATM 2611 O O . HOH D 4 . ? 31.275 -4.750 14.448 0.60 20.76 ? 536 HOH E O 1 HETATM 2612 O O . HOH D 4 . ? 22.627 -1.599 17.199 0.70 26.21 ? 537 HOH E O 1 HETATM 2613 O O . HOH D 4 . ? 9.690 36.334 15.873 0.40 19.72 ? 538 HOH E O 1 HETATM 2614 O O . HOH D 4 . ? 11.034 0.364 14.819 0.40 23.24 ? 539 HOH E O 1 HETATM 2615 O O . HOH D 4 . ? 25.214 3.261 15.911 0.45 18.13 ? 540 HOH E O 1 HETATM 2616 O O . HOH D 4 . ? 40.672 26.405 16.529 0.55 43.08 ? 541 HOH E O 1 HETATM 2617 O O . HOH D 4 . ? 14.622 36.357 17.100 0.70 33.14 ? 542 HOH E O 1 HETATM 2618 O O . HOH D 4 . ? -4.465 3.145 17.587 0.45 27.06 ? 543 HOH E O 1 HETATM 2619 O O . HOH D 4 . ? 41.657 -9.606 18.532 0.65 28.45 ? 544 HOH E O 1 HETATM 2620 O O . HOH D 4 . ? 11.296 -4.375 18.336 0.40 17.81 ? 545 HOH E O 1 HETATM 2621 O O . HOH D 4 . ? 4.971 31.741 18.612 0.50 16.02 ? 546 HOH E O 1 HETATM 2622 O O . HOH D 4 . ? 30.810 24.884 18.046 0.50 26.64 ? 547 HOH E O 1 HETATM 2623 O O . HOH D 4 . ? 19.060 26.975 29.577 0.50 30.02 ? 548 HOH E O 1 HETATM 2624 O O . HOH D 4 . ? -9.583 3.104 19.686 0.45 24.91 ? 549 HOH E O 1 HETATM 2625 O O . HOH D 4 . ? 30.127 29.861 20.128 0.75 32.20 ? 550 HOH E O 1 HETATM 2626 O O . HOH D 4 . ? 7.642 32.864 21.835 1.00 20.52 ? 551 HOH E O 1 HETATM 2627 O O . HOH D 4 . ? 13.453 -1.493 22.148 0.75 31.92 ? 552 HOH E O 1 HETATM 2628 O O . HOH D 4 . ? 33.455 -4.562 23.335 0.45 32.00 ? 553 HOH E O 1 HETATM 2629 O O . HOH D 4 . ? 33.590 24.969 23.208 0.60 11.39 ? 554 HOH E O 1 HETATM 2630 O O . HOH D 4 . ? 12.189 5.729 23.668 0.80 29.71 ? 555 HOH E O 1 HETATM 2631 O O . HOH D 4 . ? 9.341 12.136 35.102 0.70 21.45 ? 556 HOH E O 1 HETATM 2632 O O . HOH D 4 . ? 13.192 33.103 24.075 0.80 24.32 ? 557 HOH E O 1 HETATM 2633 O O . HOH D 4 . ? 0.867 14.610 34.375 0.50 32.05 ? 558 HOH E O 1 HETATM 2634 O O . HOH D 4 . ? 34.864 1.570 25.663 0.50 22.88 ? 559 HOH E O 1 HETATM 2635 O O . HOH D 4 . ? 29.787 13.347 25.164 0.65 30.14 ? 560 HOH E O 1 HETATM 2636 O O . HOH D 4 . ? 15.569 32.230 24.828 0.70 24.99 ? 561 HOH E O 1 HETATM 2637 O O . HOH D 4 . ? 6.567 15.160 33.627 0.95 25.90 ? 562 HOH E O 1 HETATM 2638 O O . HOH D 4 . ? 28.262 31.687 25.471 0.50 21.14 ? 563 HOH E O 1 HETATM 2639 O O . HOH D 4 . ? 27.980 0.443 26.844 0.50 15.70 ? 564 HOH E O 1 HETATM 2640 O O . HOH D 4 . ? 10.098 4.814 26.112 0.40 20.81 ? 565 HOH E O 1 HETATM 2641 O O . HOH D 4 . ? 33.836 4.062 27.146 0.70 29.19 ? 566 HOH E O 1 HETATM 2642 O O . HOH D 4 . ? 1.031 28.095 27.043 0.60 23.72 ? 567 HOH E O 1 HETATM 2643 O O . HOH D 4 . ? 28.297 5.474 31.844 0.95 26.32 ? 568 HOH E O 1 HETATM 2644 O O . HOH D 4 . ? 40.047 8.176 28.252 0.80 18.87 ? 569 HOH E O 1 HETATM 2645 O O . HOH D 4 . ? 37.265 10.122 31.391 0.70 22.80 ? 570 HOH E O 1 HETATM 2646 O O . HOH D 4 . ? 37.979 10.252 28.210 0.80 17.37 ? 571 HOH E O 1 HETATM 2647 O O . HOH D 4 . ? -0.042 15.157 31.557 0.40 13.73 ? 572 HOH E O 1 HETATM 2648 O O . HOH D 4 . ? 7.674 20.095 29.880 0.60 24.30 ? 573 HOH E O 1 HETATM 2649 O O . HOH D 4 . ? 2.209 23.041 31.191 0.40 20.74 ? 574 HOH E O 1 HETATM 2650 O O . HOH D 4 . ? -2.593 24.880 29.857 0.60 32.85 ? 575 HOH E O 1 HETATM 2651 O O . HOH D 4 . ? -2.734 13.166 30.424 0.40 18.39 ? 576 HOH E O 1 HETATM 2652 O O . HOH D 4 . ? 38.789 19.268 28.890 0.50 21.65 ? 577 HOH E O 1 HETATM 2653 O O . HOH D 4 . ? 2.432 19.486 30.685 0.45 25.80 ? 578 HOH E O 1 HETATM 2654 O O . HOH D 4 . ? -0.056 21.342 30.891 0.50 23.89 ? 579 HOH E O 1 HETATM 2655 O O . HOH D 4 . ? 20.518 3.622 30.648 0.40 31.63 ? 580 HOH E O 1 HETATM 2656 O O . HOH D 4 . ? 25.485 6.979 29.496 0.50 24.61 ? 581 HOH E O 1 HETATM 2657 O O . HOH E 4 . ? 24.086 2.493 18.443 0.94 22.01 ? 409 HOH I O 1 HETATM 2658 O O . HOH E 4 . ? 14.715 6.854 22.386 0.70 14.96 ? 468 HOH I O 1 HETATM 2659 O O . HOH E 4 . ? 15.521 8.238 20.061 0.93 9.03 ? 473 HOH I 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 ALA 1 1 1 ALA ALA E . n A 1 2 ALA 2 2 2 ALA ALA E . n A 1 3 SER 3 3 3 SER SER E . n A 1 4 GLY 4 4 4 GLY GLY E . n A 1 5 VAL 5 5 5 VAL VAL E . n A 1 6 ALA 6 6 6 ALA ALA E . n A 1 7 THR 7 7 7 THR THR E . n A 1 8 ASN 8 8 8 ASN ASN E . n A 1 9 THR 9 9 9 THR THR E . n A 1 10 PRO 10 10 10 PRO PRO E . n A 1 11 THR 11 11 11 THR THR E . n A 1 12 ALA 12 12 12 ALA ALA E . n A 1 13 ASN 13 13 13 ASN ASN E . n A 1 14 ASP 14 14 14 ASP ASP E . n A 1 15 GLU 15 15 15 GLU GLU E . n A 1 16 GLU 16 16 16 GLU GLU E . n A 1 17 TYR 17 17 17 TYR TYR E . n A 1 18 ILE 18 18 18 ILE ILE E . n A 1 19 THR 19 19 19 THR THR E . n A 1 20 PRO 20 20 20 PRO PRO E . n A 1 21 VAL 21 21 21 VAL VAL E . n A 1 22 THR 22 22 22 THR THR E . n A 1 23 ILE 23 23 23 ILE ILE E . n A 1 24 GLY 24 24 24 GLY GLY E . n A 1 25 GLY 25 25 25 GLY GLY E . n A 1 26 THR 26 26 26 THR THR E . n A 1 27 THR 27 27 27 THR THR E . n A 1 28 LEU 28 28 28 LEU LEU E . n A 1 29 ASN 29 29 29 ASN ASN E . n A 1 30 LEU 30 30 30 LEU LEU E . n A 1 31 ASN 31 31 31 ASN ASN E . n A 1 32 PHE 32 32 32 PHE PHE E . n A 1 33 ASP 33 33 33 ASP ASP E . n A 1 34 THR 34 34 34 THR THR E . n A 1 35 GLY 35 35 35 GLY GLY E . n A 1 36 SER 36 36 36 SER SER E . n A 1 37 ALA 37 37 37 ALA ALA E . n A 1 38 ASP 38 38 38 ASP ASP E . n A 1 39 LEU 39 39 39 LEU LEU E . n A 1 40 TRP 40 40 40 TRP TRP E . n A 1 41 VAL 41 41 41 VAL VAL E . n A 1 42 PHE 42 42 42 PHE PHE E . n A 1 43 SER 43 43 43 SER SER E . n A 1 44 THR 44 44 44 THR THR E . n A 1 45 GLU 45 45 45 GLU GLU E . n A 1 46 LEU 46 46 46 LEU LEU E . n A 1 47 PRO 47 47 47 PRO PRO E . n A 1 48 ALA 48 48 48 ALA ALA E . n A 1 49 SER 49 49 49 SER SER E . n A 1 50 GLN 50 50 50 GLN GLN E . n A 1 51 GLN 51 51 51 GLN GLN E . n A 1 52 SER 52 52 52 SER SER E . n A 1 53 GLY 53 53 53 GLY GLY E . n A 1 54 HIS 54 54 54 HIS HIS E . n A 1 55 SER 55 55 55 SER SER E . n A 1 56 VAL 56 56 56 VAL VAL E . n A 1 57 TYR 57 57 57 TYR TYR E . n A 1 58 ASN 58 58 58 ASN ASN E . n A 1 59 PRO 59 59 59 PRO PRO E . n A 1 60 SER 60 60 60 SER SER E . n A 1 61 ALA 61 61 61 ALA ALA E . n A 1 62 THR 62 62 62 THR THR E . n A 1 63 GLY 63 63 63 GLY GLY E . n A 1 64 LYS 64 64 64 LYS LYS E . n A 1 65 GLU 65 65 65 GLU GLU E . n A 1 66 LEU 66 66 66 LEU LEU E . n A 1 67 SER 67 67 67 SER SER E . n A 1 68 GLY 68 68 68 GLY GLY E . n A 1 69 TYR 69 69 69 TYR TYR E . n A 1 70 THR 70 70 70 THR THR E . n A 1 71 TRP 71 71 71 TRP TRP E . n A 1 72 SER 72 72 72 SER SER E . n A 1 73 ILE 73 73 73 ILE ILE E . n A 1 74 SER 74 74 74 SER SER E . n A 1 75 TYR 75 75 75 TYR TYR E . n A 1 76 GLY 76 76 76 GLY GLY E . n A 1 77 ASP 77 77 77 ASP ASP E . n A 1 78 GLY 78 78 78 GLY GLY E . n A 1 79 SER 79 79 79 SER SER E . n A 1 80 SER 80 80 80 SER SER E . n A 1 81 ALA 81 81 81 ALA ALA E . n A 1 82 SER 82 82 82 SER SER E . n A 1 83 GLY 83 83 83 GLY GLY E . n A 1 84 ASN 84 84 84 ASN ASN E . n A 1 85 VAL 85 85 85 VAL VAL E . n A 1 86 PHE 86 86 86 PHE PHE E . n A 1 87 THR 87 87 87 THR THR E . n A 1 88 ASP 88 88 88 ASP ASP E . n A 1 89 SER 89 89 89 SER SER E . n A 1 90 VAL 90 90 90 VAL VAL E . n A 1 91 THR 91 91 91 THR THR E . n A 1 92 VAL 92 92 92 VAL VAL E . n A 1 93 GLY 93 93 93 GLY GLY E . n A 1 94 GLY 94 94 94 GLY GLY E . n A 1 95 VAL 95 95 95 VAL VAL E . n A 1 96 THR 96 96 96 THR THR E . n A 1 97 ALA 97 97 97 ALA ALA E . n A 1 98 HIS 98 98 98 HIS HIS E . n A 1 99 GLY 99 99 99 GLY GLY E . n A 1 100 GLN 100 100 100 GLN GLN E . n A 1 101 ALA 101 101 101 ALA ALA E . n A 1 102 VAL 102 102 102 VAL VAL E . n A 1 103 GLN 103 103 103 GLN GLN E . n A 1 104 ALA 104 104 104 ALA ALA E . n A 1 105 ALA 105 105 105 ALA ALA E . n A 1 106 GLN 106 106 106 GLN GLN E . n A 1 107 GLN 107 107 107 GLN GLN E . n A 1 108 ILE 108 108 108 ILE ILE E . n A 1 109 SER 109 109 109 SER SER E . n A 1 110 ALA 110 110 110 ALA ALA E . n A 1 111 GLN 111 111 111 GLN GLN E . n A 1 112 PHE 112 112 112 PHE PHE E . n A 1 113 GLN 113 113 113 GLN GLN E . n A 1 114 GLN 114 114 114 GLN GLN E . n A 1 115 ASP 115 115 115 ASP ASP E . n A 1 116 THR 116 116 116 THR THR E . n A 1 117 ASN 117 117 117 ASN ASN E . n A 1 118 ASN 118 118 118 ASN ASN E . n A 1 119 ASP 119 119 119 ASP ASP E . n A 1 120 GLY 120 120 120 GLY GLY E . n A 1 121 LEU 121 121 121 LEU LEU E . n A 1 122 LEU 122 122 122 LEU LEU E . n A 1 123 GLY 123 123 123 GLY GLY E . n A 1 124 LEU 124 124 124 LEU LEU E . n A 1 125 ALA 125 125 125 ALA ALA E . n A 1 126 PHE 126 126 126 PHE PHE E . n A 1 127 SER 127 127 127 SER SER E . n A 1 128 SER 128 128 128 SER SER E . n A 1 129 ILE 129 129 129 ILE ILE E . n A 1 130 ASN 130 130 130 ASN ASN E . n A 1 131 THR 131 131 131 THR THR E . n A 1 132 VAL 132 132 132 VAL VAL E . n A 1 133 GLN 133 133 133 GLN GLN E . n A 1 134 PRO 134 134 134 PRO PRO E . n A 1 135 GLN 135 135 135 GLN GLN E . n A 1 136 SER 136 136 136 SER SER E . n A 1 137 GLN 137 137 137 GLN GLN E . n A 1 138 THR 138 138 138 THR THR E . n A 1 139 THR 139 139 139 THR THR E . n A 1 140 PHE 140 140 140 PHE PHE E . n A 1 141 PHE 141 141 141 PHE PHE E . n A 1 142 ASP 142 142 142 ASP ASP E . n A 1 143 THR 143 143 143 THR THR E . n A 1 144 VAL 144 144 144 VAL VAL E . n A 1 145 LYS 145 145 145 LYS LYS E . n A 1 146 SER 146 146 146 SER SER E . n A 1 147 SER 147 147 147 SER SER E . n A 1 148 LEU 148 148 148 LEU LEU E . n A 1 149 ALA 149 149 149 ALA ALA E . n A 1 150 GLN 150 150 150 GLN GLN E . n A 1 151 PRO 151 151 151 PRO PRO E . n A 1 152 LEU 152 152 152 LEU LEU E . n A 1 153 PHE 153 153 153 PHE PHE E . n A 1 154 ALA 154 154 154 ALA ALA E . n A 1 155 VAL 155 155 155 VAL VAL E . n A 1 156 ALA 156 156 156 ALA ALA E . n A 1 157 LEU 157 157 157 LEU LEU E . n A 1 158 LYS 158 158 158 LYS LYS E . n A 1 159 HIS 159 159 159 HIS HIS E . n A 1 160 GLN 160 160 160 GLN GLN E . n A 1 161 GLN 161 161 161 GLN GLN E . n A 1 162 PRO 162 162 162 PRO PRO E . n A 1 163 GLY 163 163 163 GLY GLY E . n A 1 164 VAL 164 164 164 VAL VAL E . n A 1 165 TYR 165 165 165 TYR TYR E . n A 1 166 ASP 166 166 166 ASP ASP E . n A 1 167 PHE 167 167 167 PHE PHE E . n A 1 168 GLY 168 168 168 GLY GLY E . n A 1 169 PHE 169 169 169 PHE PHE E . n A 1 170 ILE 170 170 170 ILE ILE E . n A 1 171 ASP 171 171 171 ASP ASP E . n A 1 172 SER 172 172 172 SER SER E . n A 1 173 SER 173 173 173 SER SER E . n A 1 174 LYS 174 174 174 LYS LYS E . n A 1 175 TYR 175 175 175 TYR TYR E . n A 1 176 THR 176 176 176 THR THR E . n A 1 177 GLY 177 177 177 GLY GLY E . n A 1 178 SER 178 178 178 SER SER E . n A 1 179 LEU 179 179 179 LEU LEU E . n A 1 180 THR 180 180 180 THR THR E . n A 1 181 TYR 181 181 181 TYR TYR E . n A 1 182 THR 182 182 182 THR THR E . n A 1 183 GLY 183 183 183 GLY GLY E . n A 1 184 VAL 184 184 184 VAL VAL E . n A 1 185 ASP 185 185 185 ASP ASP E . n A 1 186 ASN 186 186 186 ASN ASN E . n A 1 187 SER 187 187 187 SER SER E . n A 1 188 GLN 188 188 188 GLN GLN E . n A 1 189 GLY 189 189 189 GLY GLY E . n A 1 190 PHE 190 190 190 PHE PHE E . n A 1 191 TRP 191 191 191 TRP TRP E . n A 1 192 SER 192 192 192 SER SER E . n A 1 193 PHE 193 193 193 PHE PHE E . n A 1 194 ASN 194 194 194 ASN ASN E . n A 1 195 VAL 195 195 195 VAL VAL E . n A 1 196 ASP 196 196 196 ASP ASP E . n A 1 197 SER 197 197 197 SER SER E . n A 1 198 TYR 198 198 198 TYR TYR E . n A 1 199 THR 199 199 199 THR THR E . n A 1 200 ALA 200 200 200 ALA ALA E . n A 1 201 GLY 201 201 201 GLY GLY E . n A 1 202 SER 202 202 202 SER SER E . n A 1 203 GLN 203 203 203 GLN GLN E . n A 1 204 SER 204 204 204 SER SER E . n A 1 205 GLY 205 205 205 GLY GLY E . n A 1 206 ASP 206 206 206 ASP ASP E . n A 1 207 GLY 207 207 207 GLY GLY E . n A 1 208 PHE 208 208 208 PHE PHE E . n A 1 209 SER 209 209 209 SER SER E . n A 1 210 GLY 210 210 210 GLY GLY E . n A 1 211 ILE 211 211 211 ILE ILE E . n A 1 212 ALA 212 212 212 ALA ALA E . n A 1 213 ASP 213 213 213 ASP ASP E . n A 1 214 THR 214 214 214 THR THR E . n A 1 215 GLY 215 215 215 GLY GLY E . n A 1 216 THR 216 216 216 THR THR E . n A 1 217 THR 217 217 217 THR THR E . n A 1 218 LEU 218 218 218 LEU LEU E . n A 1 219 LEU 219 219 219 LEU LEU E . n A 1 220 LEU 220 220 220 LEU LEU E . n A 1 221 LEU 221 221 221 LEU LEU E . n A 1 222 ASP 222 222 222 ASP ASP E . n A 1 223 ASP 223 223 223 ASP ASP E . n A 1 224 SER 224 224 224 SER SER E . n A 1 225 VAL 225 225 225 VAL VAL E . n A 1 226 VAL 226 226 226 VAL VAL E . n A 1 227 SER 227 227 227 SER SER E . n A 1 228 GLN 228 228 228 GLN GLN E . n A 1 229 TYR 229 229 229 TYR TYR E . n A 1 230 TYR 230 230 230 TYR TYR E . n A 1 231 SER 231 231 231 SER SER E . n A 1 232 GLN 232 232 232 GLN GLN E . n A 1 233 VAL 233 233 233 VAL VAL E . n A 1 234 SER 234 234 234 SER SER E . n A 1 235 GLY 235 235 235 GLY GLY E . n A 1 236 ALA 236 236 236 ALA ALA E . n A 1 237 GLN 237 237 237 GLN GLN E . n A 1 238 GLN 238 238 238 GLN GLN E . n A 1 239 ASP 239 239 239 ASP ASP E . n A 1 240 SER 240 240 240 SER SER E . n A 1 241 ASN 241 241 241 ASN ASN E . n A 1 242 ALA 242 242 242 ALA ALA E . n A 1 243 GLY 243 243 243 GLY GLY E . n A 1 244 GLY 244 244 244 GLY GLY E . n A 1 245 TYR 245 245 245 TYR TYR E . n A 1 246 VAL 246 246 246 VAL VAL E . n A 1 247 PHE 247 247 247 PHE PHE E . n A 1 248 ASP 248 248 248 ASP ASP E . n A 1 249 CYS 249 249 249 CYS CYS E . n A 1 250 SER 250 250 250 SER SER E . n A 1 251 THR 251 251 251 THR THR E . n A 1 252 ASN 252 252 252 ASN ASN E . n A 1 253 LEU 253 253 253 LEU LEU E . n A 1 254 PRO 254 254 254 PRO PRO E . n A 1 255 ASP 255 255 255 ASP ASP E . n A 1 256 PHE 256 256 256 PHE PHE E . n A 1 257 SER 257 257 257 SER SER E . n A 1 258 VAL 258 258 258 VAL VAL E . n A 1 259 SER 259 259 259 SER SER E . n A 1 260 ILE 260 260 260 ILE ILE E . n A 1 261 SER 261 261 261 SER SER E . n A 1 262 GLY 262 262 262 GLY GLY E . n A 1 263 TYR 263 263 263 TYR TYR E . n A 1 264 THR 264 264 264 THR THR E . n A 1 265 ALA 265 265 265 ALA ALA E . n A 1 266 THR 266 266 266 THR THR E . n A 1 267 VAL 267 267 267 VAL VAL E . n A 1 268 PRO 268 268 268 PRO PRO E . n A 1 269 GLY 269 269 269 GLY GLY E . n A 1 270 SER 270 270 270 SER SER E . n A 1 271 LEU 271 271 271 LEU LEU E . n A 1 272 ILE 272 272 272 ILE ILE E . n A 1 273 ASN 273 273 273 ASN ASN E . n A 1 274 TYR 274 274 274 TYR TYR E . n A 1 275 GLY 275 275 275 GLY GLY E . n A 1 276 PRO 276 276 276 PRO PRO E . n A 1 277 SER 277 277 277 SER SER E . n A 1 278 GLY 278 278 278 GLY GLY E . n A 1 279 ASP 279 279 279 ASP ASP E . n A 1 280 GLY 280 280 280 GLY GLY E . n A 1 281 SER 281 281 281 SER SER E . n A 1 282 THR 282 282 282 THR THR E . n A 1 283 CYS 283 283 283 CYS CYS E . n A 1 284 LEU 284 284 284 LEU LEU E . n A 1 285 GLY 285 285 285 GLY GLY E . n A 1 286 GLY 286 286 286 GLY GLY E . n A 1 287 ILE 287 287 287 ILE ILE E . n A 1 288 GLN 288 288 288 GLN GLN E . n A 1 289 SER 289 289 289 SER SER E . n A 1 290 ASN 290 290 290 ASN ASN E . n A 1 291 SER 291 291 291 SER SER E . n A 1 292 GLY 292 292 292 GLY GLY E . n A 1 293 ILE 293 293 293 ILE ILE E . n A 1 294 GLY 294 294 294 GLY GLY E . n A 1 295 PHE 295 295 295 PHE PHE E . n A 1 296 SER 296 296 296 SER SER E . n A 1 297 ILE 297 297 297 ILE ILE E . n A 1 298 PHE 298 298 298 PHE PHE E . n A 1 299 GLY 299 299 299 GLY GLY E . n A 1 300 ASP 300 300 300 ASP ASP E . n A 1 301 ILE 301 301 301 ILE ILE E . n A 1 302 PHE 302 302 302 PHE PHE E . n A 1 303 LEU 303 303 303 LEU LEU E . n A 1 304 LYS 304 304 304 LYS LYS E . n A 1 305 SER 305 305 305 SER SER E . n A 1 306 GLN 306 306 306 GLN GLN E . n A 1 307 TYR 307 307 307 TYR TYR E . n A 1 308 VAL 308 308 308 VAL VAL E . n A 1 309 VAL 309 309 309 VAL VAL E . n A 1 310 PHE 310 310 310 PHE PHE E . n A 1 311 ASP 311 311 311 ASP ASP E . n A 1 312 SER 312 312 312 SER SER E . n A 1 313 ASP 313 313 313 ASP ASP E . n A 1 314 GLY 314 314 314 GLY GLY E . n A 1 315 PRO 315 315 315 PRO PRO E . n A 1 316 GLN 316 316 316 GLN GLN E . n A 1 317 LEU 317 317 317 LEU LEU E . n A 1 318 GLY 318 318 318 GLY GLY E . n A 1 319 PHE 319 319 319 PHE PHE E . n A 1 320 ALA 320 320 320 ALA ALA E . n A 1 321 PRO 321 321 321 PRO PRO E . n A 1 322 GLN 322 322 322 GLN GLN E . n A 1 323 ALA 323 323 323 ALA ALA E . n B 2 1 IVA 1 4 4 IVA IVA I . n B 2 2 VAL 2 3 3 VAL VAL I . n B 2 3 VAL 3 2 2 VAL VAL I . n B 2 4 LTA 4 1 1 LTA LTA I . 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 C 3 MAN 1 334 334 MAN MAN E . D 4 HOH 1 335 335 HOH HOH E . D 4 HOH 2 336 336 HOH HOH E . D 4 HOH 3 337 337 HOH HOH E . D 4 HOH 4 338 338 HOH HOH E . D 4 HOH 5 339 339 HOH HOH E . D 4 HOH 6 340 340 HOH HOH E . D 4 HOH 7 341 341 HOH HOH E . D 4 HOH 8 342 342 HOH HOH E . D 4 HOH 9 343 343 HOH HOH E . D 4 HOH 10 344 344 HOH HOH E . D 4 HOH 11 345 345 HOH HOH E . D 4 HOH 12 346 346 HOH HOH E . D 4 HOH 13 347 347 HOH HOH E . D 4 HOH 14 348 348 HOH HOH E . D 4 HOH 15 349 349 HOH HOH E . D 4 HOH 16 350 350 HOH HOH E . D 4 HOH 17 351 351 HOH HOH E . D 4 HOH 18 352 352 HOH HOH E . D 4 HOH 19 353 353 HOH HOH E . D 4 HOH 20 354 354 HOH HOH E . D 4 HOH 21 355 355 HOH HOH E . D 4 HOH 22 356 356 HOH HOH E . D 4 HOH 23 357 357 HOH HOH E . D 4 HOH 24 358 358 HOH HOH E . D 4 HOH 25 359 359 HOH HOH E . D 4 HOH 26 360 360 HOH HOH E . D 4 HOH 27 361 361 HOH HOH E . D 4 HOH 28 362 362 HOH HOH E . D 4 HOH 29 363 363 HOH HOH E . D 4 HOH 30 364 364 HOH HOH E . D 4 HOH 31 365 365 HOH HOH E . D 4 HOH 32 366 366 HOH HOH E . D 4 HOH 33 367 367 HOH HOH E . D 4 HOH 34 368 368 HOH HOH E . D 4 HOH 35 369 369 HOH HOH E . D 4 HOH 36 370 370 HOH HOH E . D 4 HOH 37 371 371 HOH HOH E . D 4 HOH 38 372 372 HOH HOH E . D 4 HOH 39 373 373 HOH HOH E . D 4 HOH 40 374 374 HOH HOH E . D 4 HOH 41 375 375 HOH HOH E . D 4 HOH 42 376 376 HOH HOH E . D 4 HOH 43 377 377 HOH HOH E . D 4 HOH 44 378 378 HOH HOH E . D 4 HOH 45 379 379 HOH HOH E . D 4 HOH 46 380 380 HOH HOH E . D 4 HOH 47 381 381 HOH HOH E . D 4 HOH 48 382 382 HOH HOH E . D 4 HOH 49 383 383 HOH HOH E . D 4 HOH 50 384 384 HOH HOH E . D 4 HOH 51 385 385 HOH HOH E . D 4 HOH 52 386 386 HOH HOH E . D 4 HOH 53 387 387 HOH HOH E . D 4 HOH 54 388 388 HOH HOH E . D 4 HOH 55 389 389 HOH HOH E . D 4 HOH 56 390 390 HOH HOH E . D 4 HOH 57 391 391 HOH HOH E . D 4 HOH 58 392 392 HOH HOH E . D 4 HOH 59 393 393 HOH HOH E . D 4 HOH 60 394 394 HOH HOH E . D 4 HOH 61 395 395 HOH HOH E . D 4 HOH 62 396 396 HOH HOH E . D 4 HOH 63 397 397 HOH HOH E . D 4 HOH 64 398 398 HOH HOH E . D 4 HOH 65 399 399 HOH HOH E . D 4 HOH 66 400 400 HOH HOH E . D 4 HOH 67 401 401 HOH HOH E . D 4 HOH 68 402 402 HOH HOH E . D 4 HOH 69 403 403 HOH HOH E . D 4 HOH 70 404 404 HOH HOH E . D 4 HOH 71 405 405 HOH HOH E . D 4 HOH 72 406 406 HOH HOH E . D 4 HOH 73 407 407 HOH HOH E . D 4 HOH 74 408 408 HOH HOH E . D 4 HOH 75 410 410 HOH HOH E . D 4 HOH 76 411 411 HOH HOH E . D 4 HOH 77 412 412 HOH HOH E . D 4 HOH 78 413 413 HOH HOH E . D 4 HOH 79 414 414 HOH HOH E . D 4 HOH 80 415 415 HOH HOH E . D 4 HOH 81 416 416 HOH HOH E . D 4 HOH 82 417 417 HOH HOH E . D 4 HOH 83 418 418 HOH HOH E . D 4 HOH 84 419 419 HOH HOH E . D 4 HOH 85 420 420 HOH HOH E . D 4 HOH 86 421 421 HOH HOH E . D 4 HOH 87 422 422 HOH HOH E . D 4 HOH 88 423 423 HOH HOH E . D 4 HOH 89 424 424 HOH HOH E . D 4 HOH 90 425 425 HOH HOH E . D 4 HOH 91 426 426 HOH HOH E . D 4 HOH 92 427 427 HOH HOH E . D 4 HOH 93 428 428 HOH HOH E . D 4 HOH 94 429 429 HOH HOH E . D 4 HOH 95 430 430 HOH HOH E . D 4 HOH 96 431 431 HOH HOH E . D 4 HOH 97 432 432 HOH HOH E . D 4 HOH 98 433 433 HOH HOH E . D 4 HOH 99 434 434 HOH HOH E . D 4 HOH 100 435 435 HOH HOH E . D 4 HOH 101 436 436 HOH HOH E . D 4 HOH 102 437 437 HOH HOH E . D 4 HOH 103 438 438 HOH HOH E . D 4 HOH 104 439 439 HOH HOH E . D 4 HOH 105 440 440 HOH HOH E . D 4 HOH 106 441 441 HOH HOH E . D 4 HOH 107 442 442 HOH HOH E . D 4 HOH 108 443 443 HOH HOH E . D 4 HOH 109 444 444 HOH HOH E . D 4 HOH 110 445 445 HOH HOH E . D 4 HOH 111 446 446 HOH HOH E . D 4 HOH 112 447 447 HOH HOH E . D 4 HOH 113 448 448 HOH HOH E . D 4 HOH 114 449 449 HOH HOH E . D 4 HOH 115 450 450 HOH HOH E . D 4 HOH 116 451 451 HOH HOH E . D 4 HOH 117 452 452 HOH HOH E . D 4 HOH 118 453 453 HOH HOH E . D 4 HOH 119 454 454 HOH HOH E . D 4 HOH 120 455 455 HOH HOH E . D 4 HOH 121 456 456 HOH HOH E . D 4 HOH 122 457 457 HOH HOH E . D 4 HOH 123 458 458 HOH HOH E . D 4 HOH 124 459 459 HOH HOH E . D 4 HOH 125 460 460 HOH HOH E . D 4 HOH 126 461 461 HOH HOH E . D 4 HOH 127 462 462 HOH HOH E . D 4 HOH 128 463 463 HOH HOH E . D 4 HOH 129 464 464 HOH HOH E . D 4 HOH 130 465 465 HOH HOH E . D 4 HOH 131 466 466 HOH HOH E . D 4 HOH 132 467 467 HOH HOH E . D 4 HOH 133 469 469 HOH HOH E . D 4 HOH 134 470 470 HOH HOH E . D 4 HOH 135 471 471 HOH HOH E . D 4 HOH 136 472 472 HOH HOH E . D 4 HOH 137 474 474 HOH HOH E . D 4 HOH 138 475 475 HOH HOH E . D 4 HOH 139 476 476 HOH HOH E . D 4 HOH 140 477 477 HOH HOH E . D 4 HOH 141 478 478 HOH HOH E . D 4 HOH 142 479 479 HOH HOH E . D 4 HOH 143 480 480 HOH HOH E . D 4 HOH 144 481 481 HOH HOH E . D 4 HOH 145 482 482 HOH HOH E . D 4 HOH 146 483 483 HOH HOH E . D 4 HOH 147 484 484 HOH HOH E . D 4 HOH 148 485 485 HOH HOH E . D 4 HOH 149 486 486 HOH HOH E . D 4 HOH 150 487 487 HOH HOH E . D 4 HOH 151 488 488 HOH HOH E . D 4 HOH 152 489 489 HOH HOH E . D 4 HOH 153 490 490 HOH HOH E . D 4 HOH 154 491 491 HOH HOH E . D 4 HOH 155 492 492 HOH HOH E . D 4 HOH 156 493 493 HOH HOH E . D 4 HOH 157 494 494 HOH HOH E . D 4 HOH 158 495 495 HOH HOH E . D 4 HOH 159 496 496 HOH HOH E . D 4 HOH 160 497 497 HOH HOH E . D 4 HOH 161 498 498 HOH HOH E . D 4 HOH 162 499 499 HOH HOH E . D 4 HOH 163 500 500 HOH HOH E . D 4 HOH 164 501 501 HOH HOH E . D 4 HOH 165 502 502 HOH HOH E . D 4 HOH 166 503 503 HOH HOH E . D 4 HOH 167 504 504 HOH HOH E . D 4 HOH 168 505 505 HOH HOH E . D 4 HOH 169 506 506 HOH HOH E . D 4 HOH 170 507 507 HOH HOH E . D 4 HOH 171 508 508 HOH HOH E . D 4 HOH 172 509 509 HOH HOH E . D 4 HOH 173 510 510 HOH HOH E . D 4 HOH 174 511 511 HOH HOH E . D 4 HOH 175 512 512 HOH HOH E . D 4 HOH 176 513 513 HOH HOH E . D 4 HOH 177 514 514 HOH HOH E . D 4 HOH 178 515 515 HOH HOH E . D 4 HOH 179 516 516 HOH HOH E . D 4 HOH 180 517 517 HOH HOH E . D 4 HOH 181 518 518 HOH HOH E . D 4 HOH 182 519 519 HOH HOH E . D 4 HOH 183 520 520 HOH HOH E . D 4 HOH 184 521 521 HOH HOH E . D 4 HOH 185 522 522 HOH HOH E . D 4 HOH 186 523 523 HOH HOH E . D 4 HOH 187 524 524 HOH HOH E . D 4 HOH 188 525 525 HOH HOH E . D 4 HOH 189 526 526 HOH HOH E . D 4 HOH 190 527 527 HOH HOH E . D 4 HOH 191 528 528 HOH HOH E . D 4 HOH 192 529 529 HOH HOH E . D 4 HOH 193 530 530 HOH HOH E . D 4 HOH 194 531 531 HOH HOH E . D 4 HOH 195 532 532 HOH HOH E . D 4 HOH 196 533 533 HOH HOH E . D 4 HOH 197 534 534 HOH HOH E . D 4 HOH 198 535 535 HOH HOH E . D 4 HOH 199 536 536 HOH HOH E . D 4 HOH 200 537 537 HOH HOH E . D 4 HOH 201 538 538 HOH HOH E . D 4 HOH 202 539 539 HOH HOH E . D 4 HOH 203 540 540 HOH HOH E . D 4 HOH 204 541 541 HOH HOH E . D 4 HOH 205 542 542 HOH HOH E . D 4 HOH 206 543 543 HOH HOH E . D 4 HOH 207 544 544 HOH HOH E . D 4 HOH 208 545 545 HOH HOH E . D 4 HOH 209 546 546 HOH HOH E . D 4 HOH 210 547 547 HOH HOH E . D 4 HOH 211 548 548 HOH HOH E . D 4 HOH 212 549 549 HOH HOH E . D 4 HOH 213 550 550 HOH HOH E . D 4 HOH 214 551 551 HOH HOH E . D 4 HOH 215 552 552 HOH HOH E . D 4 HOH 216 553 553 HOH HOH E . D 4 HOH 217 554 554 HOH HOH E . D 4 HOH 218 555 555 HOH HOH E . D 4 HOH 219 556 556 HOH HOH E . D 4 HOH 220 557 557 HOH HOH E . D 4 HOH 221 558 558 HOH HOH E . D 4 HOH 222 559 559 HOH HOH E . D 4 HOH 223 560 560 HOH HOH E . D 4 HOH 224 561 561 HOH HOH E . D 4 HOH 225 562 562 HOH HOH E . D 4 HOH 226 563 563 HOH HOH E . D 4 HOH 227 564 564 HOH HOH E . D 4 HOH 228 565 565 HOH HOH E . D 4 HOH 229 566 566 HOH HOH E . D 4 HOH 230 567 567 HOH HOH E . D 4 HOH 231 568 568 HOH HOH E . D 4 HOH 232 569 569 HOH HOH E . D 4 HOH 233 570 570 HOH HOH E . D 4 HOH 234 571 571 HOH HOH E . D 4 HOH 235 572 572 HOH HOH E . D 4 HOH 236 573 573 HOH HOH E . D 4 HOH 237 574 574 HOH HOH E . D 4 HOH 238 575 575 HOH HOH E . D 4 HOH 239 576 576 HOH HOH E . D 4 HOH 240 577 577 HOH HOH E . D 4 HOH 241 578 578 HOH HOH E . D 4 HOH 242 579 579 HOH HOH E . D 4 HOH 243 580 580 HOH HOH E . D 4 HOH 244 581 581 HOH HOH E . E 4 HOH 1 409 409 HOH HOH I . E 4 HOH 2 468 468 HOH HOH I . E 4 HOH 3 473 473 HOH HOH I . # _pdbx_struct_mod_residue.id 1 _pdbx_struct_mod_residue.label_asym_id A _pdbx_struct_mod_residue.label_comp_id SER _pdbx_struct_mod_residue.label_seq_id 3 _pdbx_struct_mod_residue.auth_asym_id E _pdbx_struct_mod_residue.auth_comp_id SER _pdbx_struct_mod_residue.auth_seq_id 3 _pdbx_struct_mod_residue.PDB_ins_code ? _pdbx_struct_mod_residue.parent_comp_id SER _pdbx_struct_mod_residue.details 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details dimeric _pdbx_struct_assembly.oligomeric_count 2 # _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 # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'ABSA (A^2)' 1600 ? 1 MORE 1 ? 1 'SSA (A^2)' 12230 ? # _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 # _pdbx_struct_special_symmetry.id 1 _pdbx_struct_special_symmetry.PDB_model_num 1 _pdbx_struct_special_symmetry.auth_asym_id E _pdbx_struct_special_symmetry.auth_comp_id HOH _pdbx_struct_special_symmetry.auth_seq_id 411 _pdbx_struct_special_symmetry.PDB_ins_code ? _pdbx_struct_special_symmetry.label_asym_id D _pdbx_struct_special_symmetry.label_comp_id HOH _pdbx_struct_special_symmetry.label_seq_id . # 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 1994-01-31 2 'Structure model' 1 1 2008-03-24 3 'Structure model' 1 2 2011-07-13 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Version format compliance' 2 3 'Structure model' 'Atomic model' 3 3 'Structure model' 'Database references' 4 3 'Structure model' 'Derived calculations' 5 3 'Structure model' 'Non-polymer description' 6 3 'Structure model' 'Structure summary' 7 3 'Structure model' 'Version format compliance' # _software.name PROLSQ _software.classification refinement _software.version . _software.citation_id ? _software.pdbx_ordinal 1 # _pdbx_entry_details.entry_id 1APT _pdbx_entry_details.compound_details ? _pdbx_entry_details.source_details ? _pdbx_entry_details.nonpolymer_details ;LTA IS AN O-ETHYL ANALOGUE OF STATINE IN WHICH THE LEUCINE-LIKE SIDE CHAIN OF STATINE HAS BEEN REPLACED BY THE LYSINE-LIKE SIDE CHAIN. ; _pdbx_entry_details.sequence_details ? # loop_ _pdbx_validate_rmsd_angle.id _pdbx_validate_rmsd_angle.PDB_model_num _pdbx_validate_rmsd_angle.auth_atom_id_1 _pdbx_validate_rmsd_angle.auth_asym_id_1 _pdbx_validate_rmsd_angle.auth_comp_id_1 _pdbx_validate_rmsd_angle.auth_seq_id_1 _pdbx_validate_rmsd_angle.PDB_ins_code_1 _pdbx_validate_rmsd_angle.label_alt_id_1 _pdbx_validate_rmsd_angle.auth_atom_id_2 _pdbx_validate_rmsd_angle.auth_asym_id_2 _pdbx_validate_rmsd_angle.auth_comp_id_2 _pdbx_validate_rmsd_angle.auth_seq_id_2 _pdbx_validate_rmsd_angle.PDB_ins_code_2 _pdbx_validate_rmsd_angle.label_alt_id_2 _pdbx_validate_rmsd_angle.auth_atom_id_3 _pdbx_validate_rmsd_angle.auth_asym_id_3 _pdbx_validate_rmsd_angle.auth_comp_id_3 _pdbx_validate_rmsd_angle.auth_seq_id_3 _pdbx_validate_rmsd_angle.PDB_ins_code_3 _pdbx_validate_rmsd_angle.label_alt_id_3 _pdbx_validate_rmsd_angle.angle_value _pdbx_validate_rmsd_angle.angle_target_value _pdbx_validate_rmsd_angle.angle_deviation _pdbx_validate_rmsd_angle.angle_standard_deviation _pdbx_validate_rmsd_angle.linker_flag 1 1 CB E ASP 142 ? ? CG E ASP 142 ? ? OD1 E ASP 142 ? ? 125.27 118.30 6.97 0.90 N 2 1 CB E TYR 165 ? ? CG E TYR 165 ? ? CD2 E TYR 165 ? ? 117.32 121.00 -3.68 0.60 N 3 1 CB E TYR 198 ? ? CG E TYR 198 ? ? CD1 E TYR 198 ? ? 117.21 121.00 -3.79 0.60 N 4 1 CB E ASP 206 ? ? CG E ASP 206 ? ? OD1 E ASP 206 ? ? 125.51 118.30 7.21 0.90 N 5 1 CB E ASP 222 ? ? CG E ASP 222 ? ? OD2 E ASP 222 ? ? 109.36 118.30 -8.94 0.90 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 PHE E 208 ? ? -171.45 -176.42 2 1 ASP E 279 ? ? -146.78 33.54 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 3 ALPHA-D-MANNOSE MAN 4 water HOH #