data_1PPM # _entry.id 1PPM # _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 1PPM WWPDB D_1000175791 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 1PPL . unspecified PDB 1PPK . unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 1PPM _pdbx_database_status.recvd_initial_deposition_date 1992-06-01 _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 'Fraser, M.E.' 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 transition-state mimics bound to penicillopepsin: phosphorus-containing peptide analogues.' Biochemistry 31 5201 5214 1992 BICHAW US 0006-2960 0033 ? 1606144 10.1021/bi00137a016 1 'Aspartic Proteinases and Their Catalytic Pathway' 'Biological Macromolecules and Assemblies' 3 413 ? 1987 ? US 0-471-85142-6 0879 'John Wiley and Sons, New York' ? ? 2 'Stereochemical Analysis of Peptide Bond Hydrolysis Catalyzed by the Aspartic Proteinase Penicillopepsin' Biochemistry 24 3701 ? 1985 BICHAW US 0006-2960 0033 ? ? ? 3 'Structure and Refinement of Penicillopepsin at 1.8 Angstroms Resolution' J.Mol.Biol. 163 299 ? 1983 JMOBAK UK 0022-2836 0070 ? ? ? 4 '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 ? ? ? 5 'The Tertiary Structure of Penicillopepsin. Towards a Catalytic Mechanism for Acid Proteases' 'STRUCTURAL STUDIES ON MOLECULES OF BIOLOGICA INTERESTL' ? 350 ? 1981 ? ? 0-19-855362-5 0996 'Oxford University Press,New York' ? ? 6 'An X-Ray Crystallographic Approach to Enzyme Structure and Function' Can.J.Biochem. 58 251 ? 1980 CJBIAE CA 0008-4018 0415 ? ? ? 7 'Structural Evidence for Gene Duplication in the Evolution of the Acid Proteases' Nature 271 618 ? 1978 NATUAS UK 0028-0836 0006 ? ? ? 8 'Mechanism of Acid Protease Catalysis Based on the Crystal Structure of Penicillopepsin' Nature 267 808 ? 1977 NATUAS UK 0028-0836 0006 ? ? ? 9 'Penicillopepsin from Penicillium Janthinellum Crystal Structure at 2.8 Angstroms and Sequence Homology with Porcine Pepsin' Nature 266 140 ? 1977 NATUAS UK 0028-0836 0006 ? ? ? 10 'Penicillopepsin. 2.8 Angstroms Structure, Active Site Conformation and Mechanistic Implications' Adv.Exp.Med.Biol. 95 61 ? 1977 AEMBAP US 0065-2598 0412 ? ? ? 11 'The Crystal Structure of Penicillopepsin at 6 Angstroms Resolution' Biochem.Biophys.Res.Commun. 72 363 ? 1976 BBRCA9 US 0006-291X 0146 ? ? ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Fraser, M.E.' 1 primary 'Strynadka, N.C.' 2 primary 'Bartlett, P.A.' 3 primary 'Hanson, J.E.' 4 primary 'James, M.N.' 5 1 'James, M.N.G.' 6 1 'Sielecki, A.R.' 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.' 13 4 'Salituro, F.' 14 4 'Rich, D.H.' 15 4 'Hofmann, T.' 16 5 'James, M.N.G.' 17 5 'Hsu, I-N.' 18 5 'Hofmann, T.' 19 5 'Sielecki, A.R.' 20 6 'James, M.N.G.' 21 7 'Tang, J.' 22 7 'James, M.N.G.' 23 7 'Hsu, I.N.' 24 7 'Jenkins, J.A.' 25 7 'Blundell, T.L.' 26 8 'James, M.N.G.' 27 8 'Hsu, I.-N.' 28 8 'Delbaere, L.T.J.' 29 9 'Hsu, I.-N.' 30 9 'Delbaere, L.T.J.' 31 9 'James, M.N.G.' 32 9 'Hofmann, T.' 33 10 'Hsu, I-N.' 34 10 'Delbaere, L.T.J.' 35 10 'James, M.N.G.' 36 10 'Hofmann, T.' 37 11 'Hsu, I-N.' 38 11 'Hofmann, T.' 39 11 'Nyburg, S.C.' 40 11 'James, M.N.G.' 41 # loop_ _citation_editor.citation_id _citation_editor.name _citation_editor.ordinal 1 'Jurnak, F.A.' 1 1 'McPherson, A.' 2 5 'Dodson, G.' 3 5 'Glusker, J.P.' 4 5 'Sayre, D.' 5 # _cell.entry_id 1PPM _cell.length_a 97.400 _cell.length_b 46.590 _cell.length_c 66.290 _cell.angle_alpha 90.00 _cell.angle_beta 115.70 _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 1PPM _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 non-polymer syn ;N-[(benzyloxy)carbonyl]-L-alanyl-N-{(1S)-1-[(R)-[(1R)-1-benzyl-2-methoxy-2-oxoethoxy](hydroxy)phosphoryl]-3-methylbutyl}-L-alaninamide ; 605.616 1 ? ? ? ? 3 non-polymer man ALPHA-D-MANNOSE 180.156 1 ? ? ? ? 4 non-polymer man ALPHA-L-ARABINOSE 150.130 1 ? ? ? ? 5 non-polymer syn 'SULFATE ION' 96.063 1 ? ? ? ? 6 water nat water 18.015 306 ? ? ? ? # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no _entity_poly.pdbx_seq_one_letter_code ;AASGVATNTPTANDEEYITPVTIGGTTLNLNFDTGSADLWVFSTELPASQQSGHSVYNPSATGKELSGYTWSISYGDGSS ASGNVFTDSVTVGGVTAHGQAVQAAQQISAQFQQDTNNDGLLGLAFSSINTVQPQSQTTFFDTVKSSLAQPLFAVALKHQ QPGVYDFGFIDSSKYTGSLTYTGVDNSQGFWSFNVDSYTAGSQSGDGFSGIADTGTTLLLLDDSVVSQYYSQVSGAQQDS NAGGYVFDCSTNLPDFSVSISGYTATVPGSLINYGPSGDGSTCLGGIQSNSGIGFSIFGDIFLKSQYVVFDSDGPQLGFA PQA ; _entity_poly.pdbx_seq_one_letter_code_can ;AASGVATNTPTANDEEYITPVTIGGTTLNLNFDTGSADLWVFSTELPASQQSGHSVYNPSATGKELSGYTWSISYGDGSS ASGNVFTDSVTVGGVTAHGQAVQAAQQISAQFQQDTNNDGLLGLAFSSINTVQPQSQTTFFDTVKSSLAQPLFAVALKHQ QPGVYDFGFIDSSKYTGSLTYTGVDNSQGFWSFNVDSYTAGSQSGDGFSGIADTGTTLLLLDDSVVSQYYSQVSGAQQDS NAGGYVFDCSTNLPDFSVSISGYTATVPGSLINYGPSGDGSTCLGGIQSNSGIGFSIFGDIFLKSQYVVFDSDGPQLGFA PQA ; _entity_poly.pdbx_strand_id E _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 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 # _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 ? _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 ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code PENP_PENJA _struct_ref.entity_id 1 _struct_ref.pdbx_db_accession P00798 _struct_ref.pdbx_align_begin 1 _struct_ref.pdbx_seq_one_letter_code ;AASGVATNTPTANDEEYITPVTIGGTTLNLNFDTGSADLWVFSTELPASQQSGHSVYNPSATGKELSGYTWSISYGDGSS ASGNVFTDSVTVGGVTAHGQAVQAAQQISAQFQQDTNNDGLLGLAFSSINTVQPQSQTTFFDTVKSSLAQPLFAVALKHQ QPGVYDFGFIDSSKYTGSLTYTGVDNSQGFWSFNVDSYTAGSQSGDGFSGIADTGTTLLLLDDSVVSQYYSQVSGAQQDS NAGGYVFDCSTNLPDFSVSISGYTATVPGSLINYGPSGDGSTCLGGIQSNSGIGFSIFGDIFLKSQYVVFDSDGPQLGFA PQA ; _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 1PPM _struct_ref_seq.pdbx_strand_id E _struct_ref_seq.seq_align_beg 1 _struct_ref_seq.pdbx_seq_align_beg_ins_code ? _struct_ref_seq.seq_align_end 323 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession P00798 _struct_ref_seq.db_align_beg 1 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 323 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 1 _struct_ref_seq.pdbx_auth_seq_align_end 323 # 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 0P1 peptide-like . ;N-[(benzyloxy)carbonyl]-L-alanyl-N-{(1S)-1-[(R)-[(1R)-1-benzyl-2-methoxy-2-oxoethoxy](hydroxy)phosphoryl]-3-methylbutyl}-L-alaninamide ; 'Cbz-Ala-Ala-Leu(P)-(O)-Phe-OMe' 'C29 H40 N3 O9 P' 605.616 ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARA D-saccharide . ALPHA-L-ARABINOSE ? 'C5 H10 O5' 150.130 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 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MAN D-saccharide . ALPHA-D-MANNOSE ? 'C6 H12 O6' 180.156 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 SO4 non-polymer . 'SULFATE ION' ? 'O4 S -2' 96.063 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.entry_id 1PPM _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 38.19 _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 1PPM _refine.ls_number_reflns_obs ? _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _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 ? _refine.ls_d_res_high 1.7 _refine.ls_percent_reflns_obs ? _refine.ls_R_factor_obs 0.15 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.15 _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_ESU_R ? _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_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 2366 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 67 _refine_hist.number_atoms_solvent 306 _refine_hist.number_atoms_total 2739 _refine_hist.d_res_high 1.7 _refine_hist.d_res_low . # 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 x_bond_d 0.019 ? ? ? 'X-RAY DIFFRACTION' ? x_bond_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? x_bond_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? x_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ? x_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? x_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? x_angle_deg ? ? ? ? 'X-RAY DIFFRACTION' ? x_angle_deg_na ? ? ? ? 'X-RAY DIFFRACTION' ? x_angle_deg_prot ? ? ? ? 'X-RAY DIFFRACTION' ? x_dihedral_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ? x_dihedral_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? x_dihedral_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? x_improper_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ? x_improper_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? x_improper_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? x_mcbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? x_mcangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? x_scbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? x_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? # _struct.entry_id 1PPM _struct.title 'CRYSTALLOGRAPHIC ANALYSIS OF TRANSITION-STATE MIMICS BOUND TO PENICILLOPEPSIN: PHOSPHORUS-CONTAINING PEPTIDE ANALOGUES' _struct.pdbx_descriptor PENICILLOPEPSIN _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 1PPM _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 5 ? F N N 6 ? # _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 ? ? ? ? ? ? ? 2.070 ? covale1 covale ? ? A SER 3 OG ? ? ? 1_555 C MAN . C1 ? ? E SER 3 E MAN 329 1_555 ? ? ? ? ? ? ? 1.434 ? covale2 covale ? ? A THR 7 OG1 ? ? ? 1_555 D ARA . C1 ? ? E THR 7 E ARA 330 1_555 ? ? ? ? ? ? ? 1.393 ? # 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 5.03 2 GLY 314 A . ? GLY 314 E PRO 315 A ? PRO 315 E 1 -4.37 # 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 ? ASP A 248 ? GLY E 244 ASP E 248 B 3 THR A 282 ? GLY A 285 ? THR E 282 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 N ILE A 297 ? N ILE E 297 O LEU A 220 ? O LEU E 220 A 6 7 N LEU A 221 ? N LEU E 221 O GLN A 288 ? O 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 ? ? ? ? 16 'BINDING SITE FOR RESIDUE 0P1 E 324' AC2 Software ? ? ? ? 12 'BINDING SITE FOR RESIDUE MAN E 329' AC3 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE ARA E 330' AC4 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE SO4 E 331' # 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 16 ASN A 31 ? ASN E 31 . ? 1_555 ? 2 AC1 16 ASP A 33 ? ASP E 33 . ? 1_555 ? 3 AC1 16 GLY A 35 ? GLY E 35 . ? 1_555 ? 4 AC1 16 TYR A 75 ? TYR E 75 . ? 1_555 ? 5 AC1 16 GLY A 76 ? GLY E 76 . ? 1_555 ? 6 AC1 16 ASP A 77 ? ASP E 77 . ? 1_555 ? 7 AC1 16 SER A 79 ? SER E 79 . ? 1_555 ? 8 AC1 16 GLN A 133 ? GLN E 133 . ? 2_656 ? 9 AC1 16 ASP A 213 ? ASP E 213 . ? 1_555 ? 10 AC1 16 GLY A 215 ? GLY E 215 . ? 1_555 ? 11 AC1 16 THR A 216 ? THR E 216 . ? 1_555 ? 12 AC1 16 THR A 217 ? THR E 217 . ? 1_555 ? 13 AC1 16 ALA A 242 ? ALA E 242 . ? 1_555 ? 14 AC1 16 TYR A 274 ? TYR E 274 . ? 1_555 ? 15 AC1 16 HOH F . ? HOH E 466 . ? 1_555 ? 16 AC1 16 HOH F . ? HOH E 636 . ? 1_555 ? 17 AC2 12 ALA A 1 ? ALA E 1 . ? 1_555 ? 18 AC2 12 SER A 3 ? SER E 3 . ? 1_555 ? 19 AC2 12 THR A 9 ? THR E 9 . ? 4_555 ? 20 AC2 12 PRO A 10 ? PRO E 10 . ? 4_555 ? 21 AC2 12 THR A 11 ? THR E 11 . ? 4_555 ? 22 AC2 12 GLN A 160 ? GLN E 160 . ? 4_555 ? 23 AC2 12 GLN A 161 ? GLN E 161 . ? 4_555 ? 24 AC2 12 PRO A 162 ? PRO E 162 . ? 4_555 ? 25 AC2 12 HOH F . ? HOH E 463 . ? 4_555 ? 26 AC2 12 HOH F . ? HOH E 539 . ? 1_555 ? 27 AC2 12 HOH F . ? HOH E 574 . ? 1_555 ? 28 AC2 12 HOH F . ? HOH E 595 . ? 1_555 ? 29 AC3 3 VAL A 5 ? VAL E 5 . ? 1_555 ? 30 AC3 3 THR A 7 ? THR E 7 . ? 1_555 ? 31 AC3 3 HOH F . ? HOH E 611 . ? 1_555 ? 32 AC4 3 TYR A 175 ? TYR E 175 . ? 1_555 ? 33 AC4 3 SER A 178 ? SER E 178 . ? 1_555 ? 34 AC4 3 LEU A 179 ? LEU E 179 . ? 1_555 ? # _database_PDB_matrix.entry_id 1PPM _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 1PPM _atom_sites.fract_transf_matrix[1][1] 0.010267 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.004941 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.021464 _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] 0.016741 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # _atom_sites_footnote.id 1 _atom_sites_footnote.text 'RESIDUES 134 AND 315 ARE CIS PROLINES.' # loop_ _atom_type.symbol C N O P 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 ? 37.526 31.732 0.973 1.00 26.90 ? 1 ALA E N 1 ATOM 2 C CA . ALA A 1 1 ? 36.690 31.250 2.143 1.00 26.36 ? 1 ALA E CA 1 ATOM 3 C C . ALA A 1 1 ? 36.040 29.907 1.753 1.00 26.22 ? 1 ALA E C 1 ATOM 4 O O . ALA A 1 1 ? 35.664 29.641 0.595 1.00 28.31 ? 1 ALA E O 1 ATOM 5 C CB . ALA A 1 1 ? 35.725 32.347 2.537 1.00 27.94 ? 1 ALA E CB 1 ATOM 6 N N . ALA A 1 2 ? 35.972 28.964 2.676 1.00 22.74 ? 2 ALA E N 1 ATOM 7 C CA . ALA A 1 2 ? 35.467 27.633 2.312 1.00 17.90 ? 2 ALA E CA 1 ATOM 8 C C . ALA A 1 2 ? 33.979 27.625 2.682 1.00 11.99 ? 2 ALA E C 1 ATOM 9 O O . ALA A 1 2 ? 33.364 28.366 3.445 1.00 12.43 ? 2 ALA E O 1 ATOM 10 C CB . ALA A 1 2 ? 36.424 26.594 2.948 1.00 15.31 ? 2 ALA E CB 1 ATOM 11 N N . SER A 1 3 ? 33.390 26.659 2.040 1.00 10.94 ? 3 SER E N 1 ATOM 12 C CA . SER A 1 3 ? 31.986 26.273 2.230 1.00 10.32 ? 3 SER E CA 1 ATOM 13 C C . SER A 1 3 ? 31.874 24.888 1.559 1.00 10.51 ? 3 SER E C 1 ATOM 14 O O . SER A 1 3 ? 32.745 24.489 0.768 1.00 11.58 ? 3 SER E O 1 ATOM 15 C CB . SER A 1 3 ? 31.034 27.307 1.689 1.00 11.44 ? 3 SER E CB 1 ATOM 16 O OG . SER A 1 3 ? 31.013 27.006 0.263 1.00 10.34 ? 3 SER E OG 1 ATOM 17 N N . GLY A 1 4 ? 30.806 24.167 1.912 1.00 9.94 ? 4 GLY E N 1 ATOM 18 C CA . GLY A 1 4 ? 30.661 22.829 1.330 1.00 8.84 ? 4 GLY E CA 1 ATOM 19 C C . GLY A 1 4 ? 29.274 22.339 1.689 1.00 9.63 ? 4 GLY E C 1 ATOM 20 O O . GLY A 1 4 ? 28.688 22.814 2.629 1.00 10.83 ? 4 GLY E O 1 ATOM 21 N N . VAL A 1 5 ? 28.904 21.328 0.949 1.00 10.87 ? 5 VAL E N 1 ATOM 22 C CA . VAL A 1 5 ? 27.611 20.645 1.145 1.00 8.65 ? 5 VAL E CA 1 ATOM 23 C C . VAL A 1 5 ? 27.919 19.157 1.285 1.00 9.01 ? 5 VAL E C 1 ATOM 24 O O . VAL A 1 5 ? 28.550 18.633 0.382 1.00 10.27 ? 5 VAL E O 1 ATOM 25 C CB . VAL A 1 5 ? 26.657 20.912 -0.022 1.00 10.35 ? 5 VAL E CB 1 ATOM 26 C CG1 . VAL A 1 5 ? 25.369 20.127 0.230 1.00 12.44 ? 5 VAL E CG1 1 ATOM 27 C CG2 . VAL A 1 5 ? 26.365 22.407 -0.138 1.00 13.65 ? 5 VAL E CG2 1 ATOM 28 N N . ALA A 1 6 ? 27.437 18.521 2.328 1.00 8.63 ? 6 ALA E N 1 ATOM 29 C CA . ALA A 1 6 ? 27.590 17.077 2.502 1.00 9.14 ? 6 ALA E CA 1 ATOM 30 C C . ALA A 1 6 ? 26.213 16.496 2.439 1.00 9.77 ? 6 ALA E C 1 ATOM 31 O O . ALA A 1 6 ? 25.345 17.116 3.012 1.00 10.70 ? 6 ALA E O 1 ATOM 32 C CB . ALA A 1 6 ? 28.295 16.760 3.802 1.00 9.94 ? 6 ALA E CB 1 ATOM 33 N N . THR A 1 7 ? 25.949 15.456 1.696 1.00 11.20 ? 7 THR E N 1 ATOM 34 C CA . THR A 1 7 ? 24.605 14.859 1.584 1.00 10.57 ? 7 THR E CA 1 ATOM 35 C C . THR A 1 7 ? 24.475 13.772 2.611 1.00 10.40 ? 7 THR E C 1 ATOM 36 O O . THR A 1 7 ? 25.365 12.897 2.715 1.00 11.06 ? 7 THR E O 1 ATOM 37 C CB . THR A 1 7 ? 24.382 14.311 0.130 1.00 14.27 ? 7 THR E CB 1 ATOM 38 O OG1 . THR A 1 7 ? 24.452 15.482 -0.713 1.00 20.08 ? 7 THR E OG1 1 ATOM 39 C CG2 . THR A 1 7 ? 23.126 13.531 -0.082 1.00 13.02 ? 7 THR E CG2 1 ATOM 40 N N . ASN A 1 8 ? 23.382 13.803 3.347 1.00 9.36 ? 8 ASN E N 1 ATOM 41 C CA . ASN A 1 8 ? 23.075 12.778 4.346 1.00 8.35 ? 8 ASN E CA 1 ATOM 42 C C . ASN A 1 8 ? 21.980 11.896 3.748 1.00 9.22 ? 8 ASN E C 1 ATOM 43 O O . ASN A 1 8 ? 21.204 12.328 2.885 1.00 11.02 ? 8 ASN E O 1 ATOM 44 C CB . ASN A 1 8 ? 22.691 13.380 5.690 1.00 9.16 ? 8 ASN E CB 1 ATOM 45 C CG . ASN A 1 8 ? 21.489 14.269 5.644 1.00 12.00 ? 8 ASN E CG 1 ATOM 46 O OD1 . ASN A 1 8 ? 20.355 13.877 5.298 1.00 12.06 ? 8 ASN E OD1 1 ATOM 47 N ND2 . ASN A 1 8 ? 21.586 15.519 5.991 1.00 10.30 ? 8 ASN E ND2 1 ATOM 48 N N . THR A 1 9 ? 21.895 10.694 4.263 1.00 9.96 ? 9 THR E N 1 ATOM 49 C CA . THR A 1 9 ? 20.846 9.749 3.834 1.00 10.61 ? 9 THR E CA 1 ATOM 50 C C . THR A 1 9 ? 20.346 8.981 5.045 1.00 7.88 ? 9 THR E C 1 ATOM 51 O O . THR A 1 9 ? 21.224 8.477 5.759 1.00 7.99 ? 9 THR E O 1 ATOM 52 C CB . THR A 1 9 ? 21.460 8.713 2.789 1.00 15.98 ? 9 THR E CB 1 ATOM 53 O OG1 . THR A 1 9 ? 20.292 7.949 2.213 1.00 21.71 ? 9 THR E OG1 1 ATOM 54 C CG2 . THR A 1 9 ? 22.383 7.737 3.434 1.00 19.82 ? 9 THR E CG2 1 ATOM 55 N N . PRO A 1 10 ? 19.056 8.880 5.204 1.00 7.14 ? 10 PRO E N 1 ATOM 56 C CA . PRO A 1 10 ? 18.470 8.155 6.305 1.00 9.53 ? 10 PRO E CA 1 ATOM 57 C C . PRO A 1 10 ? 18.600 6.640 6.084 1.00 11.37 ? 10 PRO E C 1 ATOM 58 O O . PRO A 1 10 ? 18.550 6.180 4.936 1.00 11.90 ? 10 PRO E O 1 ATOM 59 C CB . PRO A 1 10 ? 16.991 8.554 6.393 1.00 8.50 ? 10 PRO E CB 1 ATOM 60 C CG . PRO A 1 10 ? 16.726 9.069 4.998 1.00 8.17 ? 10 PRO E CG 1 ATOM 61 C CD . PRO A 1 10 ? 18.012 9.520 4.380 1.00 8.29 ? 10 PRO E CD 1 ATOM 62 N N . THR A 1 11 ? 18.698 5.954 7.200 1.00 9.85 ? 11 THR E N 1 ATOM 63 C CA . THR A 1 11 ? 18.687 4.465 7.128 1.00 9.66 ? 11 THR E CA 1 ATOM 64 C C . THR A 1 11 ? 17.204 4.130 7.214 1.00 9.93 ? 11 THR E C 1 ATOM 65 O O . THR A 1 11 ? 16.277 4.970 7.183 1.00 9.43 ? 11 THR E O 1 ATOM 66 C CB . THR A 1 11 ? 19.604 3.902 8.282 1.00 12.31 ? 11 THR E CB 1 ATOM 67 O OG1 . THR A 1 11 ? 18.873 4.266 9.454 1.00 9.72 ? 11 THR E OG1 1 ATOM 68 C CG2 . THR A 1 11 ? 21.053 4.345 8.265 1.00 14.11 ? 11 THR E CG2 1 ATOM 69 N N . ALA A 1 12 ? 16.864 2.838 7.346 1.00 11.02 ? 12 ALA E N 1 ATOM 70 C CA . ALA A 1 12 ? 15.464 2.374 7.482 1.00 12.53 ? 12 ALA E CA 1 ATOM 71 C C . ALA A 1 12 ? 14.730 3.088 8.609 1.00 12.42 ? 12 ALA E C 1 ATOM 72 O O . ALA A 1 12 ? 15.224 3.283 9.730 1.00 13.61 ? 12 ALA E O 1 ATOM 73 C CB . ALA A 1 12 ? 15.504 0.867 7.777 1.00 17.93 ? 12 ALA E CB 1 ATOM 74 N N . ASN A 1 13 ? 13.553 3.551 8.335 1.00 12.54 ? 13 ASN E N 1 ATOM 75 C CA . ASN A 1 13 ? 12.644 4.314 9.140 1.00 14.20 ? 13 ASN E CA 1 ATOM 76 C C . ASN A 1 13 ? 13.290 5.608 9.617 1.00 12.88 ? 13 ASN E C 1 ATOM 77 O O . ASN A 1 13 ? 12.755 6.132 10.620 1.00 13.92 ? 13 ASN E O 1 ATOM 78 C CB . ASN A 1 13 ? 12.147 3.570 10.378 1.00 21.02 ? 13 ASN E CB 1 ATOM 79 C CG . ASN A 1 13 ? 11.351 2.362 9.933 1.00 23.75 ? 13 ASN E CG 1 ATOM 80 O OD1 . ASN A 1 13 ? 11.868 1.300 10.266 1.00 30.09 ? 13 ASN E OD1 1 ATOM 81 N ND2 . ASN A 1 13 ? 10.329 2.683 9.235 1.00 26.71 ? 13 ASN E ND2 1 ATOM 82 N N . ASP A 1 14 ? 14.337 6.061 8.978 1.00 10.81 ? 14 ASP E N 1 ATOM 83 C CA . ASP A 1 14 ? 15.015 7.309 9.395 1.00 8.90 ? 14 ASP E CA 1 ATOM 84 C C . ASP A 1 14 ? 15.560 7.150 10.792 1.00 8.95 ? 14 ASP E C 1 ATOM 85 O O . ASP A 1 14 ? 15.562 8.090 11.615 1.00 8.50 ? 14 ASP E O 1 ATOM 86 C CB . ASP A 1 14 ? 14.041 8.518 9.414 1.00 9.92 ? 14 ASP E CB 1 ATOM 87 C CG . ASP A 1 14 ? 13.351 8.860 8.141 1.00 8.97 ? 14 ASP E CG 1 ATOM 88 O OD1 . ASP A 1 14 ? 12.347 9.588 8.240 1.00 9.71 ? 14 ASP E OD1 1 ATOM 89 O OD2 . ASP A 1 14 ? 13.788 8.415 7.058 1.00 9.47 ? 14 ASP E OD2 1 ATOM 90 N N . GLU A 1 15 ? 16.058 5.967 11.097 1.00 10.50 ? 15 GLU E N 1 ATOM 91 C CA . GLU A 1 15 ? 16.603 5.722 12.432 1.00 10.14 ? 15 GLU E CA 1 ATOM 92 C C . GLU A 1 15 ? 17.859 6.560 12.660 1.00 9.91 ? 15 GLU E C 1 ATOM 93 O O . GLU A 1 15 ? 18.094 7.016 13.802 1.00 9.83 ? 15 GLU E O 1 ATOM 94 C CB . GLU A 1 15 ? 16.969 4.261 12.600 1.00 16.22 ? 15 GLU E CB 1 ATOM 95 C CG . GLU A 1 15 ? 17.110 3.977 14.113 1.00 22.95 ? 15 GLU E CG 1 ATOM 96 C CD . GLU A 1 15 ? 17.383 2.510 14.239 1.00 33.74 ? 15 GLU E CD 1 ATOM 97 O OE1 . GLU A 1 15 ? 16.848 1.700 13.515 1.00 38.79 ? 15 GLU E OE1 1 ATOM 98 O OE2 . GLU A 1 15 ? 18.230 2.350 15.135 1.00 42.93 ? 15 GLU E OE2 1 ATOM 99 N N . GLU A 1 16 ? 18.658 6.702 11.628 1.00 6.73 ? 16 GLU E N 1 ATOM 100 C CA . GLU A 1 16 ? 19.845 7.581 11.714 1.00 6.66 ? 16 GLU E CA 1 ATOM 101 C C . GLU A 1 16 ? 20.116 8.092 10.326 1.00 6.71 ? 16 GLU E C 1 ATOM 102 O O . GLU A 1 16 ? 19.582 7.607 9.358 1.00 8.40 ? 16 GLU E O 1 ATOM 103 C CB . GLU A 1 16 ? 21.020 6.869 12.347 1.00 10.03 ? 16 GLU E CB 1 ATOM 104 C CG . GLU A 1 16 ? 21.582 5.751 11.436 1.00 13.06 ? 16 GLU E CG 1 ATOM 105 C CD . GLU A 1 16 ? 22.523 4.775 12.093 1.00 17.92 ? 16 GLU E CD 1 ATOM 106 O OE1 . GLU A 1 16 ? 22.595 3.569 11.884 1.00 24.33 ? 16 GLU E OE1 1 ATOM 107 O OE2 . GLU A 1 16 ? 23.290 5.236 12.923 1.00 22.14 ? 16 GLU E OE2 1 ATOM 108 N N . TYR A 1 17 ? 20.968 9.140 10.279 1.00 7.31 ? 17 TYR E N 1 ATOM 109 C CA . TYR A 1 17 ? 21.359 9.771 9.015 1.00 6.03 ? 17 TYR E CA 1 ATOM 110 C C . TYR A 1 17 ? 22.851 9.582 8.836 1.00 9.18 ? 17 TYR E C 1 ATOM 111 O O . TYR A 1 17 ? 23.573 9.974 9.770 1.00 13.61 ? 17 TYR E O 1 ATOM 112 C CB . TYR A 1 17 ? 20.963 11.250 9.052 1.00 5.03 ? 17 TYR E CB 1 ATOM 113 C CG . TYR A 1 17 ? 19.466 11.372 9.014 1.00 8.21 ? 17 TYR E CG 1 ATOM 114 C CD1 . TYR A 1 17 ? 18.670 11.126 10.108 1.00 6.74 ? 17 TYR E CD1 1 ATOM 115 C CD2 . TYR A 1 17 ? 18.842 11.677 7.795 1.00 6.92 ? 17 TYR E CD2 1 ATOM 116 C CE1 . TYR A 1 17 ? 17.277 11.248 10.052 1.00 7.68 ? 17 TYR E CE1 1 ATOM 117 C CE2 . TYR A 1 17 ? 17.439 11.746 7.692 1.00 9.21 ? 17 TYR E CE2 1 ATOM 118 C CZ . TYR A 1 17 ? 16.672 11.591 8.850 1.00 10.11 ? 17 TYR E CZ 1 ATOM 119 O OH . TYR A 1 17 ? 15.330 11.691 8.746 1.00 11.19 ? 17 TYR E OH 1 ATOM 120 N N . ILE A 1 18 ? 23.336 9.113 7.713 1.00 9.39 ? 18 ILE E N 1 ATOM 121 C CA . ILE A 1 18 ? 24.781 8.905 7.578 1.00 10.38 ? 18 ILE E CA 1 ATOM 122 C C . ILE A 1 18 ? 25.224 9.779 6.405 1.00 10.45 ? 18 ILE E C 1 ATOM 123 O O . ILE A 1 18 ? 24.476 10.051 5.419 1.00 10.09 ? 18 ILE E O 1 ATOM 124 C CB . ILE A 1 18 ? 25.116 7.361 7.530 1.00 16.45 ? 18 ILE E CB 1 ATOM 125 C CG1 . ILE A 1 18 ? 24.523 6.871 6.241 1.00 18.22 ? 18 ILE E CG1 1 ATOM 126 C CG2 . ILE A 1 18 ? 24.624 6.603 8.797 1.00 14.15 ? 18 ILE E CG2 1 ATOM 127 C CD1 . ILE A 1 18 ? 25.024 5.652 5.473 1.00 23.03 ? 18 ILE E CD1 1 ATOM 128 N N . THR A 1 19 ? 26.477 10.196 6.569 1.00 7.76 ? 19 THR E N 1 ATOM 129 C CA . THR A 1 19 ? 27.118 11.086 5.585 1.00 6.90 ? 19 THR E CA 1 ATOM 130 C C . THR A 1 19 ? 28.552 10.599 5.385 1.00 6.30 ? 19 THR E C 1 ATOM 131 O O . THR A 1 19 ? 29.223 10.316 6.388 1.00 7.39 ? 19 THR E O 1 ATOM 132 C CB . THR A 1 19 ? 27.140 12.562 6.199 1.00 9.15 ? 19 THR E CB 1 ATOM 133 O OG1 . THR A 1 19 ? 25.808 12.916 6.582 1.00 9.91 ? 19 THR E OG1 1 ATOM 134 C CG2 . THR A 1 19 ? 27.807 13.609 5.304 1.00 9.72 ? 19 THR E CG2 1 ATOM 135 N N . PRO A 1 20 ? 29.060 10.609 4.164 1.00 7.40 ? 20 PRO E N 1 ATOM 136 C CA . PRO A 1 20 ? 30.454 10.212 3.935 1.00 9.05 ? 20 PRO E CA 1 ATOM 137 C C . PRO A 1 20 ? 31.461 11.246 4.437 1.00 7.92 ? 20 PRO E C 1 ATOM 138 O O . PRO A 1 20 ? 31.255 12.468 4.278 1.00 10.40 ? 20 PRO E O 1 ATOM 139 C CB . PRO A 1 20 ? 30.576 10.072 2.421 1.00 9.35 ? 20 PRO E CB 1 ATOM 140 C CG . PRO A 1 20 ? 29.427 10.812 1.860 1.00 10.89 ? 20 PRO E CG 1 ATOM 141 C CD . PRO A 1 20 ? 28.340 10.945 2.945 1.00 7.97 ? 20 PRO E CD 1 ATOM 142 N N . VAL A 1 21 ? 32.557 10.749 4.991 1.00 7.78 ? 21 VAL E N 1 ATOM 143 C CA . VAL A 1 21 ? 33.661 11.547 5.517 1.00 7.73 ? 21 VAL E CA 1 ATOM 144 C C . VAL A 1 21 ? 34.970 10.834 5.101 1.00 8.07 ? 21 VAL E C 1 ATOM 145 O O . VAL A 1 21 ? 35.059 9.638 5.337 1.00 8.03 ? 21 VAL E O 1 ATOM 146 C CB . VAL A 1 21 ? 33.601 11.618 7.070 1.00 8.59 ? 21 VAL E CB 1 ATOM 147 C CG1 . VAL A 1 21 ? 34.777 12.468 7.602 1.00 10.66 ? 21 VAL E CG1 1 ATOM 148 C CG2 . VAL A 1 21 ? 32.243 12.176 7.473 1.00 8.12 ? 21 VAL E CG2 1 ATOM 149 N N . THR A 1 22 ? 35.894 11.582 4.557 1.00 8.22 ? 22 THR E N 1 ATOM 150 C CA . THR A 1 22 ? 37.170 11.018 4.128 1.00 7.83 ? 22 THR E CA 1 ATOM 151 C C . THR A 1 22 ? 38.210 11.347 5.166 1.00 8.47 ? 22 THR E C 1 ATOM 152 O O . THR A 1 22 ? 38.445 12.525 5.505 1.00 8.59 ? 22 THR E O 1 ATOM 153 C CB . THR A 1 22 ? 37.569 11.417 2.668 1.00 11.80 ? 22 THR E CB 1 ATOM 154 O OG1 . THR A 1 22 ? 36.368 11.079 1.889 1.00 12.43 ? 22 THR E OG1 1 ATOM 155 C CG2 . THR A 1 22 ? 38.839 10.681 2.135 1.00 9.96 ? 22 THR E CG2 1 ATOM 156 N N . ILE A 1 23 ? 38.774 10.300 5.727 1.00 9.69 ? 23 ILE E N 1 ATOM 157 C CA . ILE A 1 23 ? 39.832 10.441 6.748 1.00 10.52 ? 23 ILE E CA 1 ATOM 158 C C . ILE A 1 23 ? 41.140 9.801 6.251 1.00 10.82 ? 23 ILE E C 1 ATOM 159 O O . ILE A 1 23 ? 41.082 8.579 6.016 1.00 10.47 ? 23 ILE E O 1 ATOM 160 C CB . ILE A 1 23 ? 39.433 9.836 8.131 1.00 12.43 ? 23 ILE E CB 1 ATOM 161 C CG1 . ILE A 1 23 ? 38.095 10.489 8.481 1.00 11.65 ? 23 ILE E CG1 1 ATOM 162 C CG2 . ILE A 1 23 ? 40.622 10.109 9.077 1.00 12.67 ? 23 ILE E CG2 1 ATOM 163 C CD1 . ILE A 1 23 ? 37.361 9.865 9.664 1.00 15.21 ? 23 ILE E CD1 1 ATOM 164 N N . GLY A 1 24 ? 42.127 10.641 6.085 1.00 11.62 ? 24 GLY E N 1 ATOM 165 C CA . GLY A 1 24 ? 43.398 10.143 5.551 1.00 15.49 ? 24 GLY E CA 1 ATOM 166 C C . GLY A 1 24 ? 43.136 9.377 4.242 1.00 20.33 ? 24 GLY E C 1 ATOM 167 O O . GLY A 1 24 ? 43.774 8.287 4.130 1.00 23.71 ? 24 GLY E O 1 ATOM 168 N N . GLY A 1 25 ? 42.327 9.792 3.299 1.00 18.03 ? 25 GLY E N 1 ATOM 169 C CA . GLY A 1 25 ? 42.133 8.989 2.072 1.00 16.91 ? 25 GLY E CA 1 ATOM 170 C C . GLY A 1 25 ? 41.061 7.917 2.107 1.00 17.92 ? 25 GLY E C 1 ATOM 171 O O . GLY A 1 25 ? 40.697 7.479 0.966 1.00 20.04 ? 25 GLY E O 1 ATOM 172 N N . THR A 1 26 ? 40.594 7.415 3.231 1.00 13.21 ? 26 THR E N 1 ATOM 173 C CA . THR A 1 26 ? 39.577 6.369 3.312 1.00 11.65 ? 26 THR E CA 1 ATOM 174 C C . THR A 1 26 ? 38.191 7.008 3.539 1.00 10.87 ? 26 THR E C 1 ATOM 175 O O . THR A 1 26 ? 38.130 7.748 4.508 1.00 11.08 ? 26 THR E O 1 ATOM 176 C CB . THR A 1 26 ? 39.854 5.365 4.534 1.00 13.26 ? 26 THR E CB 1 ATOM 177 O OG1 . THR A 1 26 ? 41.181 4.855 4.233 1.00 15.75 ? 26 THR E OG1 1 ATOM 178 C CG2 . THR A 1 26 ? 38.863 4.188 4.704 1.00 13.32 ? 26 THR E CG2 1 ATOM 179 N N . THR A 1 27 ? 37.171 6.590 2.812 1.00 8.80 ? 27 THR E N 1 ATOM 180 C CA . THR A 1 27 ? 35.823 7.185 3.111 1.00 8.93 ? 27 THR E CA 1 ATOM 181 C C . THR A 1 27 ? 35.040 6.268 4.021 1.00 7.76 ? 27 THR E C 1 ATOM 182 O O . THR A 1 27 ? 34.910 5.036 3.777 1.00 8.86 ? 27 THR E O 1 ATOM 183 C CB . THR A 1 27 ? 35.064 7.440 1.770 1.00 7.89 ? 27 THR E CB 1 ATOM 184 O OG1 . THR A 1 27 ? 35.861 8.289 0.924 1.00 9.53 ? 27 THR E OG1 1 ATOM 185 C CG2 . THR A 1 27 ? 33.692 8.018 2.030 1.00 6.90 ? 27 THR E CG2 1 ATOM 186 N N . LEU A 1 28 ? 34.492 6.829 5.086 1.00 8.75 ? 28 LEU E N 1 ATOM 187 C CA . LEU A 1 28 ? 33.700 6.177 6.111 1.00 8.27 ? 28 LEU E CA 1 ATOM 188 C C . LEU A 1 28 ? 32.288 6.795 6.169 1.00 10.21 ? 28 LEU E C 1 ATOM 189 O O . LEU A 1 28 ? 32.245 7.999 5.795 1.00 11.26 ? 28 LEU E O 1 ATOM 190 C CB . LEU A 1 28 ? 34.377 6.356 7.473 1.00 12.87 ? 28 LEU E CB 1 ATOM 191 C CG . LEU A 1 28 ? 35.409 5.287 7.802 1.00 17.57 ? 28 LEU E CG 1 ATOM 192 C CD1 . LEU A 1 28 ? 36.567 5.619 6.886 1.00 21.59 ? 28 LEU E CD1 1 ATOM 193 C CD2 . LEU A 1 28 ? 35.829 5.330 9.242 1.00 16.15 ? 28 LEU E CD2 1 ATOM 194 N N . ASN A 1 29 ? 31.271 6.074 6.585 1.00 8.11 ? 29 ASN E N 1 ATOM 195 C CA . ASN A 1 29 ? 29.914 6.602 6.634 1.00 8.25 ? 29 ASN E CA 1 ATOM 196 C C . ASN A 1 29 ? 29.648 6.956 8.081 1.00 8.72 ? 29 ASN E C 1 ATOM 197 O O . ASN A 1 29 ? 29.593 6.021 8.861 1.00 10.31 ? 29 ASN E O 1 ATOM 198 C CB . ASN A 1 29 ? 28.896 5.573 6.068 1.00 9.88 ? 29 ASN E CB 1 ATOM 199 C CG . ASN A 1 29 ? 28.952 5.501 4.536 1.00 9.85 ? 29 ASN E CG 1 ATOM 200 O OD1 . ASN A 1 29 ? 29.232 6.485 3.889 1.00 16.51 ? 29 ASN E OD1 1 ATOM 201 N ND2 . ASN A 1 29 ? 28.614 4.377 3.965 1.00 10.73 ? 29 ASN E ND2 1 ATOM 202 N N . LEU A 1 30 ? 29.587 8.259 8.445 1.00 8.13 ? 30 LEU E N 1 ATOM 203 C CA . LEU A 1 30 ? 29.445 8.580 9.864 1.00 5.55 ? 30 LEU E CA 1 ATOM 204 C C . LEU A 1 30 ? 28.095 9.174 10.184 1.00 7.39 ? 30 LEU E C 1 ATOM 205 O O . LEU A 1 30 ? 27.492 9.739 9.298 1.00 7.98 ? 30 LEU E O 1 ATOM 206 C CB . LEU A 1 30 ? 30.568 9.564 10.270 1.00 7.17 ? 30 LEU E CB 1 ATOM 207 C CG . LEU A 1 30 ? 32.013 9.102 10.084 1.00 9.30 ? 30 LEU E CG 1 ATOM 208 C CD1 . LEU A 1 30 ? 32.952 10.086 10.774 1.00 10.21 ? 30 LEU E CD1 1 ATOM 209 C CD2 . LEU A 1 30 ? 32.277 7.728 10.649 1.00 9.92 ? 30 LEU E CD2 1 ATOM 210 N N . ASN A 1 31 ? 27.756 9.047 11.443 1.00 4.80 ? 31 ASN E N 1 ATOM 211 C CA . ASN A 1 31 ? 26.465 9.682 11.898 1.00 5.20 ? 31 ASN E CA 1 ATOM 212 C C . ASN A 1 31 ? 26.868 11.058 12.423 1.00 5.57 ? 31 ASN E C 1 ATOM 213 O O . ASN A 1 31 ? 27.591 11.124 13.462 1.00 5.82 ? 31 ASN E O 1 ATOM 214 C CB . ASN A 1 31 ? 26.000 8.721 12.986 1.00 7.91 ? 31 ASN E CB 1 ATOM 215 C CG . ASN A 1 31 ? 24.739 9.020 13.705 1.00 13.65 ? 31 ASN E CG 1 ATOM 216 O OD1 . ASN A 1 31 ? 24.281 8.284 14.600 1.00 13.06 ? 31 ASN E OD1 1 ATOM 217 N ND2 . ASN A 1 31 ? 24.171 10.126 13.332 1.00 8.17 ? 31 ASN E ND2 1 ATOM 218 N N . PHE A 1 32 ? 26.420 12.146 11.845 1.00 5.31 ? 32 PHE E N 1 ATOM 219 C CA . PHE A 1 32 ? 26.732 13.518 12.341 1.00 5.19 ? 32 PHE E CA 1 ATOM 220 C C . PHE A 1 32 ? 25.808 13.790 13.533 1.00 6.54 ? 32 PHE E C 1 ATOM 221 O O . PHE A 1 32 ? 24.587 13.668 13.409 1.00 8.42 ? 32 PHE E O 1 ATOM 222 C CB . PHE A 1 32 ? 26.570 14.574 11.267 1.00 6.47 ? 32 PHE E CB 1 ATOM 223 C CG . PHE A 1 32 ? 27.564 14.574 10.169 1.00 8.38 ? 32 PHE E CG 1 ATOM 224 C CD1 . PHE A 1 32 ? 28.376 13.478 9.912 1.00 7.61 ? 32 PHE E CD1 1 ATOM 225 C CD2 . PHE A 1 32 ? 27.742 15.747 9.440 1.00 7.57 ? 32 PHE E CD2 1 ATOM 226 C CE1 . PHE A 1 32 ? 29.368 13.508 8.935 1.00 8.49 ? 32 PHE E CE1 1 ATOM 227 C CE2 . PHE A 1 32 ? 28.749 15.806 8.472 1.00 8.51 ? 32 PHE E CE2 1 ATOM 228 C CZ . PHE A 1 32 ? 29.535 14.687 8.222 1.00 9.38 ? 32 PHE E CZ 1 ATOM 229 N N . ASP A 1 33 ? 26.431 14.132 14.648 1.00 6.39 ? 33 ASP E N 1 ATOM 230 C CA . ASP A 1 33 ? 25.671 14.287 15.922 1.00 4.26 ? 33 ASP E CA 1 ATOM 231 C C . ASP A 1 33 ? 25.887 15.627 16.609 1.00 3.88 ? 33 ASP E C 1 ATOM 232 O O . ASP A 1 33 ? 26.939 15.846 17.144 1.00 4.72 ? 33 ASP E O 1 ATOM 233 C CB . ASP A 1 33 ? 26.224 13.092 16.774 1.00 5.51 ? 33 ASP E CB 1 ATOM 234 C CG . ASP A 1 33 ? 25.527 13.114 18.121 1.00 6.60 ? 33 ASP E CG 1 ATOM 235 O OD1 . ASP A 1 33 ? 26.002 12.438 19.025 1.00 8.28 ? 33 ASP E OD1 1 ATOM 236 O OD2 . ASP A 1 33 ? 24.477 13.758 18.266 1.00 5.72 ? 33 ASP E OD2 1 ATOM 237 N N . THR A 1 34 ? 24.868 16.482 16.568 1.00 5.58 ? 34 THR E N 1 ATOM 238 C CA . THR A 1 34 ? 24.958 17.779 17.230 1.00 5.35 ? 34 THR E CA 1 ATOM 239 C C . THR A 1 34 ? 24.823 17.647 18.735 1.00 4.31 ? 34 THR E C 1 ATOM 240 O O . THR A 1 34 ? 24.990 18.712 19.405 1.00 5.65 ? 34 THR E O 1 ATOM 241 C CB . THR A 1 34 ? 23.981 18.848 16.631 1.00 2.78 ? 34 THR E CB 1 ATOM 242 O OG1 . THR A 1 34 ? 22.661 18.334 16.866 1.00 5.64 ? 34 THR E OG1 1 ATOM 243 C CG2 . THR A 1 34 ? 24.197 19.028 15.135 1.00 3.99 ? 34 THR E CG2 1 ATOM 244 N N . GLY A 1 35 ? 24.625 16.479 19.288 1.00 4.20 ? 35 GLY E N 1 ATOM 245 C CA . GLY A 1 35 ? 24.543 16.265 20.724 1.00 5.05 ? 35 GLY E CA 1 ATOM 246 C C . GLY A 1 35 ? 25.801 15.763 21.382 1.00 5.15 ? 35 GLY E C 1 ATOM 247 O O . GLY A 1 35 ? 25.803 15.446 22.558 1.00 6.61 ? 35 GLY E O 1 ATOM 248 N N . SER A 1 36 ? 26.877 15.619 20.600 1.00 5.16 ? 36 SER E N 1 ATOM 249 C CA . SER A 1 36 ? 28.174 15.164 21.202 1.00 4.34 ? 36 SER E CA 1 ATOM 250 C C . SER A 1 36 ? 29.318 15.814 20.478 1.00 6.95 ? 36 SER E C 1 ATOM 251 O O . SER A 1 36 ? 29.107 16.411 19.386 1.00 5.99 ? 36 SER E O 1 ATOM 252 C CB . SER A 1 36 ? 28.219 13.644 21.321 1.00 6.78 ? 36 SER E CB 1 ATOM 253 O OG . SER A 1 36 ? 28.600 13.148 20.027 1.00 9.76 ? 36 SER E OG 1 ATOM 254 N N . ALA A 1 37 ? 30.503 15.771 21.140 1.00 4.84 ? 37 ALA E N 1 ATOM 255 C CA . ALA A 1 37 ? 31.662 16.492 20.539 1.00 5.59 ? 37 ALA E CA 1 ATOM 256 C C . ALA A 1 37 ? 32.880 15.662 20.213 1.00 6.25 ? 37 ALA E C 1 ATOM 257 O O . ALA A 1 37 ? 33.993 16.182 20.145 1.00 7.16 ? 37 ALA E O 1 ATOM 258 C CB . ALA A 1 37 ? 32.026 17.668 21.473 1.00 7.68 ? 37 ALA E CB 1 ATOM 259 N N . ASP A 1 38 ? 32.677 14.398 20.014 1.00 7.92 ? 38 ASP E N 1 ATOM 260 C CA . ASP A 1 38 ? 33.779 13.454 19.663 1.00 8.48 ? 38 ASP E CA 1 ATOM 261 C C . ASP A 1 38 ? 33.615 12.979 18.202 1.00 8.68 ? 38 ASP E C 1 ATOM 262 O O . ASP A 1 38 ? 32.512 12.608 17.820 1.00 10.82 ? 38 ASP E O 1 ATOM 263 C CB . ASP A 1 38 ? 33.769 12.260 20.653 1.00 8.34 ? 38 ASP E CB 1 ATOM 264 C CG . ASP A 1 38 ? 34.322 12.664 22.001 1.00 14.27 ? 38 ASP E CG 1 ATOM 265 O OD1 . ASP A 1 38 ? 35.267 12.053 22.542 1.00 14.18 ? 38 ASP E OD1 1 ATOM 266 O OD2 . ASP A 1 38 ? 33.772 13.607 22.611 1.00 11.45 ? 38 ASP E OD2 1 ATOM 267 N N . LEU A 1 39 ? 34.688 12.888 17.466 1.00 6.49 ? 39 LEU E N 1 ATOM 268 C CA . LEU A 1 39 ? 34.704 12.293 16.134 1.00 7.60 ? 39 LEU E CA 1 ATOM 269 C C . LEU A 1 39 ? 35.419 10.952 16.352 1.00 7.41 ? 39 LEU E C 1 ATOM 270 O O . LEU A 1 39 ? 36.675 10.953 16.552 1.00 7.34 ? 39 LEU E O 1 ATOM 271 C CB . LEU A 1 39 ? 35.488 13.220 15.192 1.00 10.60 ? 39 LEU E CB 1 ATOM 272 C CG . LEU A 1 39 ? 35.470 12.959 13.697 1.00 12.21 ? 39 LEU E CG 1 ATOM 273 C CD1 . LEU A 1 39 ? 36.473 13.842 12.961 1.00 10.36 ? 39 LEU E CD1 1 ATOM 274 C CD2 . LEU A 1 39 ? 35.744 11.492 13.435 1.00 12.47 ? 39 LEU E CD2 1 ATOM 275 N N . TRP A 1 40 ? 34.645 9.874 16.419 1.00 6.71 ? 40 TRP E N 1 ATOM 276 C CA . TRP A 1 40 ? 35.299 8.551 16.678 1.00 6.56 ? 40 TRP E CA 1 ATOM 277 C C . TRP A 1 40 ? 34.936 7.656 15.472 1.00 7.60 ? 40 TRP E C 1 ATOM 278 O O . TRP A 1 40 ? 33.871 7.821 14.890 1.00 5.71 ? 40 TRP E O 1 ATOM 279 C CB . TRP A 1 40 ? 34.940 7.990 18.020 1.00 6.27 ? 40 TRP E CB 1 ATOM 280 C CG . TRP A 1 40 ? 33.562 7.455 18.255 1.00 6.78 ? 40 TRP E CG 1 ATOM 281 C CD1 . TRP A 1 40 ? 32.548 8.143 18.823 1.00 7.48 ? 40 TRP E CD1 1 ATOM 282 C CD2 . TRP A 1 40 ? 33.020 6.188 17.887 1.00 5.53 ? 40 TRP E CD2 1 ATOM 283 N NE1 . TRP A 1 40 ? 31.399 7.338 18.844 1.00 9.54 ? 40 TRP E NE1 1 ATOM 284 C CE2 . TRP A 1 40 ? 31.700 6.148 18.278 1.00 8.01 ? 40 TRP E CE2 1 ATOM 285 C CE3 . TRP A 1 40 ? 33.617 5.074 17.222 1.00 7.58 ? 40 TRP E CE3 1 ATOM 286 C CZ2 . TRP A 1 40 ? 30.888 5.053 18.054 1.00 9.76 ? 40 TRP E CZ2 1 ATOM 287 C CZ3 . TRP A 1 40 ? 32.814 3.939 17.093 1.00 8.01 ? 40 TRP E CZ3 1 ATOM 288 C CH2 . TRP A 1 40 ? 31.487 3.921 17.499 1.00 9.53 ? 40 TRP E CH2 1 ATOM 289 N N . VAL A 1 41 ? 35.853 6.756 15.151 1.00 7.41 ? 41 VAL E N 1 ATOM 290 C CA . VAL A 1 41 ? 35.657 5.826 14.019 1.00 6.89 ? 41 VAL E CA 1 ATOM 291 C C . VAL A 1 41 ? 36.078 4.404 14.370 1.00 9.69 ? 41 VAL E C 1 ATOM 292 O O . VAL A 1 41 ? 36.878 4.137 15.306 1.00 9.56 ? 41 VAL E O 1 ATOM 293 C CB . VAL A 1 41 ? 36.456 6.328 12.820 1.00 8.78 ? 41 VAL E CB 1 ATOM 294 C CG1 . VAL A 1 41 ? 35.952 7.702 12.354 1.00 9.71 ? 41 VAL E CG1 1 ATOM 295 C CG2 . VAL A 1 41 ? 37.937 6.388 13.132 1.00 7.85 ? 41 VAL E CG2 1 ATOM 296 N N . PHE A 1 42 ? 35.393 3.490 13.640 1.00 9.85 ? 42 PHE E N 1 ATOM 297 C CA . PHE A 1 42 ? 35.762 2.032 13.761 1.00 7.87 ? 42 PHE E CA 1 ATOM 298 C C . PHE A 1 42 ? 37.193 2.033 13.254 1.00 6.76 ? 42 PHE E C 1 ATOM 299 O O . PHE A 1 42 ? 37.473 2.762 12.273 1.00 8.17 ? 42 PHE E O 1 ATOM 300 C CB . PHE A 1 42 ? 34.802 1.217 12.878 1.00 7.49 ? 42 PHE E CB 1 ATOM 301 C CG . PHE A 1 42 ? 33.557 0.785 13.554 1.00 8.93 ? 42 PHE E CG 1 ATOM 302 C CD1 . PHE A 1 42 ? 32.563 1.681 13.947 1.00 8.36 ? 42 PHE E CD1 1 ATOM 303 C CD2 . PHE A 1 42 ? 33.349 -0.588 13.776 1.00 10.65 ? 42 PHE E CD2 1 ATOM 304 C CE1 . PHE A 1 42 ? 31.395 1.281 14.557 1.00 8.44 ? 42 PHE E CE1 1 ATOM 305 C CE2 . PHE A 1 42 ? 32.185 -1.036 14.383 1.00 9.79 ? 42 PHE E CE2 1 ATOM 306 C CZ . PHE A 1 42 ? 31.232 -0.102 14.725 1.00 11.49 ? 42 PHE E CZ 1 ATOM 307 N N . SER A 1 43 ? 38.078 1.211 13.795 1.00 8.39 ? 43 SER E N 1 ATOM 308 C CA . SER A 1 43 ? 39.494 1.223 13.384 1.00 7.66 ? 43 SER E CA 1 ATOM 309 C C . SER A 1 43 ? 40.038 -0.248 13.351 1.00 8.74 ? 43 SER E C 1 ATOM 310 O O . SER A 1 43 ? 39.300 -1.148 13.765 1.00 10.85 ? 43 SER E O 1 ATOM 311 C CB . SER A 1 43 ? 40.384 2.066 14.283 1.00 8.89 ? 43 SER E CB 1 ATOM 312 O OG . SER A 1 43 ? 40.625 1.343 15.488 1.00 11.62 ? 43 SER E OG 1 ATOM 313 N N . THR A 1 44 ? 41.249 -0.297 12.868 1.00 11.13 ? 44 THR E N 1 ATOM 314 C CA . THR A 1 44 ? 41.930 -1.627 12.772 1.00 11.11 ? 44 THR E CA 1 ATOM 315 C C . THR A 1 44 ? 42.348 -2.034 14.141 1.00 12.35 ? 44 THR E C 1 ATOM 316 O O . THR A 1 44 ? 42.877 -3.185 14.286 1.00 14.21 ? 44 THR E O 1 ATOM 317 C CB . THR A 1 44 ? 43.096 -1.485 11.714 1.00 11.16 ? 44 THR E CB 1 ATOM 318 O OG1 . THR A 1 44 ? 43.944 -0.411 12.150 1.00 13.66 ? 44 THR E OG1 1 ATOM 319 C CG2 . THR A 1 44 ? 42.623 -1.271 10.280 1.00 10.14 ? 44 THR E CG2 1 ATOM 320 N N . GLU A 1 45 ? 42.134 -1.235 15.205 1.00 9.64 ? 45 GLU E N 1 ATOM 321 C CA . GLU A 1 45 ? 42.524 -1.654 16.546 1.00 9.64 ? 45 GLU E CA 1 ATOM 322 C C . GLU A 1 45 ? 41.447 -2.392 17.189 1.00 9.18 ? 45 GLU E C 1 ATOM 323 O O . GLU A 1 45 ? 41.676 -2.857 18.319 1.00 13.39 ? 45 GLU E O 1 ATOM 324 C CB . GLU A 1 45 ? 42.850 -0.448 17.454 1.00 10.19 ? 45 GLU E CB 1 ATOM 325 C CG . GLU A 1 45 ? 43.848 0.488 16.828 1.00 10.08 ? 45 GLU E CG 1 ATOM 326 C CD . GLU A 1 45 ? 44.125 1.751 17.581 1.00 12.32 ? 45 GLU E CD 1 ATOM 327 O OE1 . GLU A 1 45 ? 45.263 2.083 17.645 1.00 16.82 ? 45 GLU E OE1 1 ATOM 328 O OE2 . GLU A 1 45 ? 43.185 2.387 18.005 1.00 13.40 ? 45 GLU E OE2 1 ATOM 329 N N . LEU A 1 46 ? 40.272 -2.543 16.587 1.00 11.51 ? 46 LEU E N 1 ATOM 330 C CA . LEU A 1 46 ? 39.175 -3.327 17.120 1.00 11.97 ? 46 LEU E CA 1 ATOM 331 C C . LEU A 1 46 ? 39.483 -4.816 16.766 1.00 12.96 ? 46 LEU E C 1 ATOM 332 O O . LEU A 1 46 ? 40.193 -5.002 15.774 1.00 15.21 ? 46 LEU E O 1 ATOM 333 C CB . LEU A 1 46 ? 37.871 -2.972 16.356 1.00 11.43 ? 46 LEU E CB 1 ATOM 334 C CG . LEU A 1 46 ? 37.227 -1.650 16.749 1.00 10.32 ? 46 LEU E CG 1 ATOM 335 C CD1 . LEU A 1 46 ? 36.031 -1.304 15.857 1.00 15.58 ? 46 LEU E CD1 1 ATOM 336 C CD2 . LEU A 1 46 ? 36.750 -1.762 18.171 1.00 11.95 ? 46 LEU E CD2 1 ATOM 337 N N . PRO A 1 47 ? 38.862 -5.694 17.489 1.00 14.68 ? 47 PRO E N 1 ATOM 338 C CA . PRO A 1 47 ? 38.982 -7.146 17.172 1.00 15.66 ? 47 PRO E CA 1 ATOM 339 C C . PRO A 1 47 ? 38.573 -7.348 15.738 1.00 14.44 ? 47 PRO E C 1 ATOM 340 O O . PRO A 1 47 ? 37.610 -6.664 15.377 1.00 16.52 ? 47 PRO E O 1 ATOM 341 C CB . PRO A 1 47 ? 37.950 -7.731 18.135 1.00 15.71 ? 47 PRO E CB 1 ATOM 342 C CG . PRO A 1 47 ? 38.119 -6.824 19.360 1.00 16.86 ? 47 PRO E CG 1 ATOM 343 C CD . PRO A 1 47 ? 37.992 -5.455 18.654 1.00 15.85 ? 47 PRO E CD 1 ATOM 344 N N . ALA A 1 48 ? 39.176 -8.185 14.951 1.00 15.88 ? 48 ALA E N 1 ATOM 345 C CA . ALA A 1 48 ? 38.728 -8.371 13.533 1.00 14.95 ? 48 ALA E CA 1 ATOM 346 C C . ALA A 1 48 ? 37.246 -8.691 13.410 1.00 17.92 ? 48 ALA E C 1 ATOM 347 O O . ALA A 1 48 ? 36.687 -8.246 12.379 1.00 19.72 ? 48 ALA E O 1 ATOM 348 C CB . ALA A 1 48 ? 39.540 -9.424 12.833 1.00 14.35 ? 48 ALA E CB 1 ATOM 349 N N . SER A 1 49 ? 36.616 -9.414 14.284 1.00 17.87 ? 49 SER E N 1 ATOM 350 C CA . SER A 1 49 ? 35.203 -9.761 14.145 1.00 22.05 ? 49 SER E CA 1 ATOM 351 C C . SER A 1 49 ? 34.275 -8.535 14.240 1.00 22.63 ? 49 SER E C 1 ATOM 352 O O . SER A 1 49 ? 33.193 -8.531 13.634 1.00 25.22 ? 49 SER E O 1 ATOM 353 C CB . SER A 1 49 ? 34.776 -10.819 15.122 1.00 25.51 ? 49 SER E CB 1 ATOM 354 O OG . SER A 1 49 ? 34.850 -10.264 16.447 1.00 29.31 ? 49 SER E OG 1 ATOM 355 N N . GLN A 1 50 ? 34.714 -7.541 14.963 1.00 20.41 ? 50 GLN E N 1 ATOM 356 C CA . GLN A 1 50 ? 33.973 -6.268 15.101 1.00 20.44 ? 50 GLN E CA 1 ATOM 357 C C . GLN A 1 50 ? 34.208 -5.363 13.918 1.00 20.67 ? 50 GLN E C 1 ATOM 358 O O . GLN A 1 50 ? 33.393 -4.454 13.712 1.00 21.33 ? 50 GLN E O 1 ATOM 359 C CB . GLN A 1 50 ? 34.260 -5.619 16.443 1.00 22.76 ? 50 GLN E CB 1 ATOM 360 C CG . GLN A 1 50 ? 33.837 -6.397 17.661 1.00 23.80 ? 50 GLN E CG 1 ATOM 361 C CD . GLN A 1 50 ? 34.256 -5.815 18.971 1.00 29.13 ? 50 GLN E CD 1 ATOM 362 O OE1 . GLN A 1 50 ? 34.730 -4.691 19.091 1.00 27.44 ? 50 GLN E OE1 1 ATOM 363 N NE2 . GLN A 1 50 ? 34.075 -6.624 20.050 1.00 32.21 ? 50 GLN E NE2 1 ATOM 364 N N . GLN A 1 51 ? 35.251 -5.496 13.123 1.00 19.57 ? 51 GLN E N 1 ATOM 365 C CA . GLN A 1 51 ? 35.518 -4.673 11.955 1.00 19.78 ? 51 GLN E CA 1 ATOM 366 C C . GLN A 1 51 ? 34.630 -5.061 10.791 1.00 22.14 ? 51 GLN E C 1 ATOM 367 O O . GLN A 1 51 ? 34.487 -4.290 9.824 1.00 23.13 ? 51 GLN E O 1 ATOM 368 C CB . GLN A 1 51 ? 36.966 -4.780 11.437 1.00 16.90 ? 51 GLN E CB 1 ATOM 369 C CG . GLN A 1 51 ? 37.942 -4.441 12.585 1.00 16.90 ? 51 GLN E CG 1 ATOM 370 C CD . GLN A 1 51 ? 39.367 -4.563 12.136 1.00 15.64 ? 51 GLN E CD 1 ATOM 371 O OE1 . GLN A 1 51 ? 39.591 -4.404 10.937 1.00 21.87 ? 51 GLN E OE1 1 ATOM 372 N NE2 . GLN A 1 51 ? 40.323 -4.817 13.011 1.00 16.90 ? 51 GLN E NE2 1 ATOM 373 N N . SER A 1 52 ? 34.155 -6.285 10.838 1.00 24.98 ? 52 SER E N 1 ATOM 374 C CA . SER A 1 52 ? 33.315 -6.877 9.768 1.00 25.58 ? 52 SER E CA 1 ATOM 375 C C . SER A 1 52 ? 32.055 -6.049 9.451 1.00 21.79 ? 52 SER E C 1 ATOM 376 O O . SER A 1 52 ? 31.260 -5.741 10.338 1.00 20.44 ? 52 SER E O 1 ATOM 377 C CB . SER A 1 52 ? 32.849 -8.329 10.130 1.00 29.21 ? 52 SER E CB 1 ATOM 378 O OG . SER A 1 52 ? 34.050 -9.103 10.335 1.00 36.36 ? 52 SER E OG 1 ATOM 379 N N . GLY A 1 53 ? 31.965 -5.795 8.132 1.00 20.72 ? 53 GLY E N 1 ATOM 380 C CA . GLY A 1 53 ? 30.803 -5.034 7.659 1.00 20.81 ? 53 GLY E CA 1 ATOM 381 C C . GLY A 1 53 ? 30.947 -3.517 7.818 1.00 20.20 ? 53 GLY E C 1 ATOM 382 O O . GLY A 1 53 ? 29.915 -2.858 7.663 1.00 22.51 ? 53 GLY E O 1 ATOM 383 N N . HIS A 1 54 ? 32.138 -3.018 8.052 1.00 16.48 ? 54 HIS E N 1 ATOM 384 C CA . HIS A 1 54 ? 32.307 -1.569 8.211 1.00 14.34 ? 54 HIS E CA 1 ATOM 385 C C . HIS A 1 54 ? 33.468 -1.136 7.417 1.00 15.44 ? 54 HIS E C 1 ATOM 386 O O . HIS A 1 54 ? 34.278 -2.014 7.054 1.00 18.60 ? 54 HIS E O 1 ATOM 387 C CB . HIS A 1 54 ? 32.686 -1.251 9.690 1.00 12.30 ? 54 HIS E CB 1 ATOM 388 C CG . HIS A 1 54 ? 31.531 -1.398 10.638 1.00 14.84 ? 54 HIS E CG 1 ATOM 389 N ND1 . HIS A 1 54 ? 30.658 -0.364 10.899 1.00 12.47 ? 54 HIS E ND1 1 ATOM 390 C CD2 . HIS A 1 54 ? 31.091 -2.469 11.355 1.00 15.00 ? 54 HIS E CD2 1 ATOM 391 C CE1 . HIS A 1 54 ? 29.736 -0.806 11.741 1.00 14.38 ? 54 HIS E CE1 1 ATOM 392 N NE2 . HIS A 1 54 ? 29.992 -2.061 12.019 1.00 15.45 ? 54 HIS E NE2 1 ATOM 393 N N . SER A 1 55 ? 33.644 0.122 7.146 1.00 14.56 ? 55 SER E N 1 ATOM 394 C CA . SER A 1 55 ? 34.824 0.724 6.541 1.00 14.58 ? 55 SER E CA 1 ATOM 395 C C . SER A 1 55 ? 35.594 1.087 7.817 1.00 14.72 ? 55 SER E C 1 ATOM 396 O O . SER A 1 55 ? 34.916 1.562 8.746 1.00 13.07 ? 55 SER E O 1 ATOM 397 C CB . SER A 1 55 ? 34.543 1.944 5.685 1.00 17.05 ? 55 SER E CB 1 ATOM 398 O OG . SER A 1 55 ? 33.803 1.353 4.606 1.00 18.52 ? 55 SER E OG 1 ATOM 399 N N . VAL A 1 56 ? 36.883 0.792 7.889 1.00 13.79 ? 56 VAL E N 1 ATOM 400 C CA . VAL A 1 56 ? 37.603 1.075 9.146 1.00 13.68 ? 56 VAL E CA 1 ATOM 401 C C . VAL A 1 56 ? 38.755 1.973 8.811 1.00 13.51 ? 56 VAL E C 1 ATOM 402 O O . VAL A 1 56 ? 39.286 1.896 7.685 1.00 15.44 ? 56 VAL E O 1 ATOM 403 C CB . VAL A 1 56 ? 38.056 -0.245 9.835 1.00 15.95 ? 56 VAL E CB 1 ATOM 404 C CG1 . VAL A 1 56 ? 36.841 -1.109 10.122 1.00 17.04 ? 56 VAL E CG1 1 ATOM 405 C CG2 . VAL A 1 56 ? 39.113 -0.952 9.046 1.00 16.38 ? 56 VAL E CG2 1 ATOM 406 N N . TYR A 1 57 ? 39.144 2.779 9.775 1.00 12.00 ? 57 TYR E N 1 ATOM 407 C CA . TYR A 1 57 ? 40.308 3.667 9.612 1.00 11.84 ? 57 TYR E CA 1 ATOM 408 C C . TYR A 1 57 ? 41.539 2.884 10.063 1.00 11.24 ? 57 TYR E C 1 ATOM 409 O O . TYR A 1 57 ? 41.439 2.131 11.029 1.00 11.22 ? 57 TYR E O 1 ATOM 410 C CB . TYR A 1 57 ? 40.023 4.871 10.491 1.00 13.87 ? 57 TYR E CB 1 ATOM 411 C CG . TYR A 1 57 ? 41.174 5.812 10.719 1.00 11.15 ? 57 TYR E CG 1 ATOM 412 C CD1 . TYR A 1 57 ? 41.592 6.085 12.047 1.00 9.17 ? 57 TYR E CD1 1 ATOM 413 C CD2 . TYR A 1 57 ? 41.770 6.466 9.682 1.00 10.75 ? 57 TYR E CD2 1 ATOM 414 C CE1 . TYR A 1 57 ? 42.639 6.962 12.271 1.00 10.77 ? 57 TYR E CE1 1 ATOM 415 C CE2 . TYR A 1 57 ? 42.789 7.360 9.896 1.00 9.78 ? 57 TYR E CE2 1 ATOM 416 C CZ . TYR A 1 57 ? 43.255 7.594 11.183 1.00 11.80 ? 57 TYR E CZ 1 ATOM 417 O OH . TYR A 1 57 ? 44.319 8.462 11.347 1.00 13.81 ? 57 TYR E OH 1 ATOM 418 N N . ASN A 1 58 ? 42.630 3.045 9.356 1.00 11.25 ? 58 ASN E N 1 ATOM 419 C CA . ASN A 1 58 ? 43.896 2.364 9.802 1.00 13.20 ? 58 ASN E CA 1 ATOM 420 C C . ASN A 1 58 ? 44.829 3.516 10.138 1.00 10.78 ? 58 ASN E C 1 ATOM 421 O O . ASN A 1 58 ? 45.360 4.128 9.234 1.00 12.47 ? 58 ASN E O 1 ATOM 422 C CB . ASN A 1 58 ? 44.395 1.408 8.743 1.00 18.74 ? 58 ASN E CB 1 ATOM 423 C CG . ASN A 1 58 ? 45.804 0.941 9.022 1.00 22.47 ? 58 ASN E CG 1 ATOM 424 O OD1 . ASN A 1 58 ? 46.393 0.981 10.112 1.00 22.76 ? 58 ASN E OD1 1 ATOM 425 N ND2 . ASN A 1 58 ? 46.322 0.388 7.935 1.00 25.56 ? 58 ASN E ND2 1 ATOM 426 N N . PRO A 1 59 ? 44.970 3.739 11.432 1.00 12.40 ? 59 PRO E N 1 ATOM 427 C CA . PRO A 1 59 ? 45.752 4.865 11.948 1.00 15.13 ? 59 PRO E CA 1 ATOM 428 C C . PRO A 1 59 ? 47.183 4.867 11.486 1.00 20.35 ? 59 PRO E C 1 ATOM 429 O O . PRO A 1 59 ? 47.738 5.951 11.317 1.00 22.46 ? 59 PRO E O 1 ATOM 430 C CB . PRO A 1 59 ? 45.698 4.673 13.458 1.00 14.70 ? 59 PRO E CB 1 ATOM 431 C CG . PRO A 1 59 ? 44.509 3.823 13.721 1.00 16.32 ? 59 PRO E CG 1 ATOM 432 C CD . PRO A 1 59 ? 44.251 2.991 12.492 1.00 14.39 ? 59 PRO E CD 1 ATOM 433 N N . SER A 1 60 ? 47.766 3.701 11.229 1.00 21.53 ? 60 SER E N 1 ATOM 434 C CA . SER A 1 60 ? 49.156 3.534 10.803 1.00 24.41 ? 60 SER E CA 1 ATOM 435 C C . SER A 1 60 ? 49.522 4.053 9.443 1.00 24.47 ? 60 SER E C 1 ATOM 436 O O . SER A 1 60 ? 50.635 4.576 9.212 1.00 26.56 ? 60 SER E O 1 ATOM 437 C CB . SER A 1 60 ? 49.505 2.025 10.855 1.00 26.81 ? 60 SER E CB 1 ATOM 438 O OG . SER A 1 60 ? 49.569 1.815 12.304 1.00 32.82 ? 60 SER E OG 1 ATOM 439 N N . ALA A 1 61 ? 48.578 3.969 8.553 1.00 23.17 ? 61 ALA E N 1 ATOM 440 C CA . ALA A 1 61 ? 48.756 4.430 7.185 1.00 21.72 ? 61 ALA E CA 1 ATOM 441 C C . ALA A 1 61 ? 49.084 5.913 7.161 1.00 24.19 ? 61 ALA E C 1 ATOM 442 O O . ALA A 1 61 ? 50.095 6.335 6.570 1.00 24.46 ? 61 ALA E O 1 ATOM 443 C CB . ALA A 1 61 ? 47.398 4.128 6.608 1.00 24.24 ? 61 ALA E CB 1 ATOM 444 N N . THR A 1 62 ? 48.228 6.746 7.804 1.00 21.05 ? 62 THR E N 1 ATOM 445 C CA . THR A 1 62 ? 48.341 8.186 7.798 1.00 16.99 ? 62 THR E CA 1 ATOM 446 C C . THR A 1 62 ? 48.229 9.005 9.048 1.00 14.72 ? 62 THR E C 1 ATOM 447 O O . THR A 1 62 ? 48.498 10.255 9.011 1.00 15.87 ? 62 THR E O 1 ATOM 448 C CB . THR A 1 62 ? 47.087 8.575 6.853 1.00 15.52 ? 62 THR E CB 1 ATOM 449 O OG1 . THR A 1 62 ? 45.946 8.032 7.593 1.00 16.48 ? 62 THR E OG1 1 ATOM 450 C CG2 . THR A 1 62 ? 47.231 7.927 5.499 1.00 15.45 ? 62 THR E CG2 1 ATOM 451 N N . GLY A 1 63 ? 47.835 8.450 10.160 1.00 15.58 ? 63 GLY E N 1 ATOM 452 C CA . GLY A 1 63 ? 47.614 9.328 11.359 1.00 15.04 ? 63 GLY E CA 1 ATOM 453 C C . GLY A 1 63 ? 48.891 9.621 12.099 1.00 14.02 ? 63 GLY E C 1 ATOM 454 O O . GLY A 1 63 ? 49.876 8.896 11.935 1.00 15.86 ? 63 GLY E O 1 ATOM 455 N N . LYS A 1 64 ? 48.905 10.591 12.932 1.00 12.25 ? 64 LYS E N 1 ATOM 456 C CA . LYS A 1 64 ? 50.025 10.967 13.829 1.00 13.15 ? 64 LYS E CA 1 ATOM 457 C C . LYS A 1 64 ? 49.455 10.694 15.223 1.00 13.97 ? 64 LYS E C 1 ATOM 458 O O . LYS A 1 64 ? 48.454 11.293 15.615 1.00 12.90 ? 64 LYS E O 1 ATOM 459 C CB . LYS A 1 64 ? 50.500 12.386 13.679 1.00 18.12 ? 64 LYS E CB 1 ATOM 460 C CG . LYS A 1 64 ? 51.307 12.556 12.362 1.00 29.42 ? 64 LYS E CG 1 ATOM 461 C CD . LYS A 1 64 ? 52.804 12.658 12.583 1.00 39.76 ? 64 LYS E CD 1 ATOM 462 C CE . LYS A 1 64 ? 53.609 11.491 12.036 1.00 46.73 ? 64 LYS E CE 1 ATOM 463 N NZ . LYS A 1 64 ? 54.843 11.160 12.866 1.00 48.78 ? 64 LYS E NZ 1 ATOM 464 N N . GLU A 1 65 ? 50.012 9.711 15.935 1.00 12.63 ? 65 GLU E N 1 ATOM 465 C CA . GLU A 1 65 ? 49.475 9.352 17.251 1.00 11.95 ? 65 GLU E CA 1 ATOM 466 C C . GLU A 1 65 ? 49.663 10.410 18.295 1.00 14.96 ? 65 GLU E C 1 ATOM 467 O O . GLU A 1 65 ? 50.762 10.997 18.302 1.00 14.53 ? 65 GLU E O 1 ATOM 468 C CB . GLU A 1 65 ? 50.268 8.116 17.746 1.00 12.45 ? 65 GLU E CB 1 ATOM 469 C CG . GLU A 1 65 ? 49.601 7.355 18.892 1.00 16.26 ? 65 GLU E CG 1 ATOM 470 C CD . GLU A 1 65 ? 50.225 6.102 19.384 1.00 21.72 ? 65 GLU E CD 1 ATOM 471 O OE1 . GLU A 1 65 ? 50.054 5.714 20.519 1.00 21.83 ? 65 GLU E OE1 1 ATOM 472 O OE2 . GLU A 1 65 ? 50.976 5.508 18.578 1.00 24.61 ? 65 GLU E OE2 1 ATOM 473 N N . LEU A 1 66 ? 48.719 10.615 19.224 1.00 12.59 ? 66 LEU E N 1 ATOM 474 C CA . LEU A 1 66 ? 48.907 11.515 20.364 1.00 14.08 ? 66 LEU E CA 1 ATOM 475 C C . LEU A 1 66 ? 49.285 10.554 21.507 1.00 14.00 ? 66 LEU E C 1 ATOM 476 O O . LEU A 1 66 ? 48.416 10.006 22.112 1.00 11.56 ? 66 LEU E O 1 ATOM 477 C CB . LEU A 1 66 ? 47.642 12.310 20.654 1.00 14.50 ? 66 LEU E CB 1 ATOM 478 C CG . LEU A 1 66 ? 47.324 13.411 19.661 1.00 16.76 ? 66 LEU E CG 1 ATOM 479 C CD1 . LEU A 1 66 ? 46.095 14.186 20.159 1.00 15.43 ? 66 LEU E CD1 1 ATOM 480 C CD2 . LEU A 1 66 ? 48.481 14.363 19.618 1.00 20.54 ? 66 LEU E CD2 1 ATOM 481 N N . SER A 1 67 ? 50.588 10.371 21.684 1.00 14.41 ? 67 SER E N 1 ATOM 482 C CA . SER A 1 67 ? 50.981 9.405 22.726 1.00 17.11 ? 67 SER E CA 1 ATOM 483 C C . SER A 1 67 ? 50.340 9.699 24.082 1.00 14.83 ? 67 SER E C 1 ATOM 484 O O . SER A 1 67 ? 50.495 10.839 24.510 1.00 17.43 ? 67 SER E O 1 ATOM 485 C CB . SER A 1 67 ? 52.515 9.380 22.862 1.00 20.75 ? 67 SER E CB 1 ATOM 486 O OG . SER A 1 67 ? 52.779 8.155 23.553 1.00 27.92 ? 67 SER E OG 1 ATOM 487 N N . GLY A 1 68 ? 49.707 8.714 24.684 1.00 13.30 ? 68 GLY E N 1 ATOM 488 C CA . GLY A 1 68 ? 49.199 8.935 26.048 1.00 12.86 ? 68 GLY E CA 1 ATOM 489 C C . GLY A 1 68 ? 47.787 9.482 26.136 1.00 14.32 ? 68 GLY E C 1 ATOM 490 O O . GLY A 1 68 ? 47.278 9.602 27.263 1.00 17.76 ? 68 GLY E O 1 ATOM 491 N N . TYR A 1 69 ? 47.197 9.773 25.019 1.00 12.04 ? 69 TYR E N 1 ATOM 492 C CA . TYR A 1 69 ? 45.850 10.319 24.946 1.00 10.15 ? 69 TYR E CA 1 ATOM 493 C C . TYR A 1 69 ? 44.843 9.193 24.762 1.00 13.10 ? 69 TYR E C 1 ATOM 494 O O . TYR A 1 69 ? 45.119 8.314 23.964 1.00 15.25 ? 69 TYR E O 1 ATOM 495 C CB . TYR A 1 69 ? 45.703 11.362 23.815 1.00 7.79 ? 69 TYR E CB 1 ATOM 496 C CG . TYR A 1 69 ? 46.325 12.691 24.138 1.00 9.73 ? 69 TYR E CG 1 ATOM 497 C CD1 . TYR A 1 69 ? 47.701 12.847 24.367 1.00 10.64 ? 69 TYR E CD1 1 ATOM 498 C CD2 . TYR A 1 69 ? 45.502 13.797 24.249 1.00 11.15 ? 69 TYR E CD2 1 ATOM 499 C CE1 . TYR A 1 69 ? 48.208 14.118 24.605 1.00 12.27 ? 69 TYR E CE1 1 ATOM 500 C CE2 . TYR A 1 69 ? 46.022 15.066 24.525 1.00 13.88 ? 69 TYR E CE2 1 ATOM 501 C CZ . TYR A 1 69 ? 47.387 15.205 24.709 1.00 12.90 ? 69 TYR E CZ 1 ATOM 502 O OH . TYR A 1 69 ? 47.852 16.436 24.998 1.00 18.34 ? 69 TYR E OH 1 ATOM 503 N N . THR A 1 70 ? 43.736 9.315 25.497 1.00 11.58 ? 70 THR E N 1 ATOM 504 C CA . THR A 1 70 ? 42.615 8.384 25.391 1.00 10.97 ? 70 THR E CA 1 ATOM 505 C C . THR A 1 70 ? 41.317 9.163 25.300 1.00 11.80 ? 70 THR E C 1 ATOM 506 O O . THR A 1 70 ? 41.211 10.348 25.553 1.00 9.87 ? 70 THR E O 1 ATOM 507 C CB . THR A 1 70 ? 42.579 7.440 26.652 1.00 14.07 ? 70 THR E CB 1 ATOM 508 O OG1 . THR A 1 70 ? 42.323 8.329 27.798 1.00 16.28 ? 70 THR E OG1 1 ATOM 509 C CG2 . THR A 1 70 ? 43.882 6.664 26.813 1.00 16.59 ? 70 THR E CG2 1 ATOM 510 N N . TRP A 1 71 ? 40.268 8.444 25.011 1.00 12.94 ? 71 TRP E N 1 ATOM 511 C CA . TRP A 1 71 ? 38.875 8.975 24.963 1.00 11.30 ? 71 TRP E CA 1 ATOM 512 C C . TRP A 1 71 ? 37.981 7.819 25.495 1.00 9.58 ? 71 TRP E C 1 ATOM 513 O O . TRP A 1 71 ? 38.271 6.625 25.357 1.00 9.45 ? 71 TRP E O 1 ATOM 514 C CB . TRP A 1 71 ? 38.529 9.462 23.574 1.00 8.28 ? 71 TRP E CB 1 ATOM 515 C CG . TRP A 1 71 ? 38.536 8.412 22.502 1.00 7.51 ? 71 TRP E CG 1 ATOM 516 C CD1 . TRP A 1 71 ? 39.621 7.958 21.820 1.00 8.95 ? 71 TRP E CD1 1 ATOM 517 C CD2 . TRP A 1 71 ? 37.380 7.690 22.021 1.00 7.49 ? 71 TRP E CD2 1 ATOM 518 N NE1 . TRP A 1 71 ? 39.227 6.980 20.949 1.00 9.68 ? 71 TRP E NE1 1 ATOM 519 C CE2 . TRP A 1 71 ? 37.842 6.826 21.052 1.00 8.96 ? 71 TRP E CE2 1 ATOM 520 C CE3 . TRP A 1 71 ? 36.030 7.748 22.361 1.00 8.22 ? 71 TRP E CE3 1 ATOM 521 C CZ2 . TRP A 1 71 ? 36.966 5.989 20.344 1.00 7.23 ? 71 TRP E CZ2 1 ATOM 522 C CZ3 . TRP A 1 71 ? 35.134 6.953 21.672 1.00 9.77 ? 71 TRP E CZ3 1 ATOM 523 C CH2 . TRP A 1 71 ? 35.667 6.078 20.707 1.00 8.01 ? 71 TRP E CH2 1 ATOM 524 N N . SER A 1 72 ? 36.884 8.217 26.009 1.00 11.05 ? 72 SER E N 1 ATOM 525 C CA . SER A 1 72 ? 35.838 7.300 26.522 1.00 10.34 ? 72 SER E CA 1 ATOM 526 C C . SER A 1 72 ? 34.530 8.050 26.557 1.00 12.03 ? 72 SER E C 1 ATOM 527 O O . SER A 1 72 ? 34.464 9.084 27.238 1.00 12.86 ? 72 SER E O 1 ATOM 528 C CB . SER A 1 72 ? 36.372 6.870 27.885 1.00 15.00 ? 72 SER E CB 1 ATOM 529 O OG . SER A 1 72 ? 35.446 5.920 28.237 1.00 20.02 ? 72 SER E OG 1 ATOM 530 N N . ILE A 1 73 ? 33.538 7.569 25.821 1.00 12.67 ? 73 ILE E N 1 ATOM 531 C CA . ILE A 1 73 ? 32.230 8.292 25.804 1.00 14.46 ? 73 ILE E CA 1 ATOM 532 C C . ILE A 1 73 ? 31.068 7.393 26.112 1.00 15.59 ? 73 ILE E C 1 ATOM 533 O O . ILE A 1 73 ? 31.091 6.227 25.691 1.00 17.18 ? 73 ILE E O 1 ATOM 534 C CB . ILE A 1 73 ? 32.120 9.068 24.423 1.00 14.56 ? 73 ILE E CB 1 ATOM 535 C CG1 . ILE A 1 73 ? 30.944 10.082 24.486 1.00 14.17 ? 73 ILE E CG1 1 ATOM 536 C CG2 . ILE A 1 73 ? 32.009 8.089 23.249 1.00 13.48 ? 73 ILE E CG2 1 ATOM 537 C CD1 . ILE A 1 73 ? 31.077 11.197 23.350 1.00 16.27 ? 73 ILE E CD1 1 ATOM 538 N N . SER A 1 74 ? 30.098 7.912 26.832 1.00 15.82 ? 74 SER E N 1 ATOM 539 C CA . SER A 1 74 ? 28.839 7.286 27.174 1.00 17.26 ? 74 SER E CA 1 ATOM 540 C C . SER A 1 74 ? 27.662 8.112 26.618 1.00 14.62 ? 74 SER E C 1 ATOM 541 O O . SER A 1 74 ? 27.692 9.315 26.971 1.00 17.00 ? 74 SER E O 1 ATOM 542 C CB . SER A 1 74 ? 28.553 7.300 28.693 1.00 23.15 ? 74 SER E CB 1 ATOM 543 O OG . SER A 1 74 ? 28.492 5.948 29.086 1.00 35.04 ? 74 SER E OG 1 ATOM 544 N N . TYR A 1 75 ? 26.745 7.517 25.908 1.00 12.09 ? 75 TYR E N 1 ATOM 545 C CA . TYR A 1 75 ? 25.596 8.295 25.371 1.00 11.87 ? 75 TYR E CA 1 ATOM 546 C C . TYR A 1 75 ? 24.349 8.090 26.188 1.00 13.74 ? 75 TYR E C 1 ATOM 547 O O . TYR A 1 75 ? 24.313 7.163 27.014 1.00 15.16 ? 75 TYR E O 1 ATOM 548 C CB . TYR A 1 75 ? 25.392 7.859 23.925 1.00 10.53 ? 75 TYR E CB 1 ATOM 549 C CG . TYR A 1 75 ? 26.597 8.177 23.066 1.00 11.40 ? 75 TYR E CG 1 ATOM 550 C CD1 . TYR A 1 75 ? 27.530 7.154 22.782 1.00 10.63 ? 75 TYR E CD1 1 ATOM 551 C CD2 . TYR A 1 75 ? 26.823 9.445 22.609 1.00 10.49 ? 75 TYR E CD2 1 ATOM 552 C CE1 . TYR A 1 75 ? 28.633 7.396 21.973 1.00 10.34 ? 75 TYR E CE1 1 ATOM 553 C CE2 . TYR A 1 75 ? 27.964 9.722 21.812 1.00 11.40 ? 75 TYR E CE2 1 ATOM 554 C CZ . TYR A 1 75 ? 28.843 8.687 21.518 1.00 11.33 ? 75 TYR E CZ 1 ATOM 555 O OH . TYR A 1 75 ? 29.899 9.008 20.731 1.00 11.00 ? 75 TYR E OH 1 ATOM 556 N N . GLY A 1 76 ? 23.274 8.787 25.875 1.00 14.09 ? 76 GLY E N 1 ATOM 557 C CA . GLY A 1 76 ? 21.978 8.751 26.560 1.00 14.91 ? 76 GLY E CA 1 ATOM 558 C C . GLY A 1 76 ? 21.239 7.414 26.506 1.00 16.82 ? 76 GLY E C 1 ATOM 559 O O . GLY A 1 76 ? 20.474 7.062 27.444 1.00 19.34 ? 76 GLY E O 1 ATOM 560 N N . ASP A 1 77 ? 21.440 6.665 25.429 1.00 17.01 ? 77 ASP E N 1 ATOM 561 C CA . ASP A 1 77 ? 20.836 5.338 25.293 1.00 16.74 ? 77 ASP E CA 1 ATOM 562 C C . ASP A 1 77 ? 21.690 4.241 25.975 1.00 18.13 ? 77 ASP E C 1 ATOM 563 O O . ASP A 1 77 ? 21.307 3.053 25.927 1.00 21.41 ? 77 ASP E O 1 ATOM 564 C CB . ASP A 1 77 ? 20.411 5.051 23.885 1.00 15.28 ? 77 ASP E CB 1 ATOM 565 C CG . ASP A 1 77 ? 21.556 4.985 22.953 1.00 15.42 ? 77 ASP E CG 1 ATOM 566 O OD1 . ASP A 1 77 ? 21.364 5.033 21.739 1.00 15.39 ? 77 ASP E OD1 1 ATOM 567 O OD2 . ASP A 1 77 ? 22.707 4.861 23.507 1.00 15.65 ? 77 ASP E OD2 1 ATOM 568 N N . GLY A 1 78 ? 22.785 4.539 26.592 1.00 16.92 ? 78 GLY E N 1 ATOM 569 C CA . GLY A 1 78 ? 23.646 3.586 27.293 1.00 18.56 ? 78 GLY E CA 1 ATOM 570 C C . GLY A 1 78 ? 24.797 3.061 26.441 1.00 18.29 ? 78 GLY E C 1 ATOM 571 O O . GLY A 1 78 ? 25.560 2.251 26.968 1.00 20.25 ? 78 GLY E O 1 ATOM 572 N N . SER A 1 79 ? 24.883 3.403 25.174 1.00 14.79 ? 79 SER E N 1 ATOM 573 C CA . SER A 1 79 ? 25.971 2.938 24.344 1.00 14.46 ? 79 SER E CA 1 ATOM 574 C C . SER A 1 79 ? 27.222 3.669 24.823 1.00 12.85 ? 79 SER E C 1 ATOM 575 O O . SER A 1 79 ? 27.172 4.700 25.465 1.00 14.49 ? 79 SER E O 1 ATOM 576 C CB . SER A 1 79 ? 25.638 3.074 22.860 1.00 17.15 ? 79 SER E CB 1 ATOM 577 O OG . SER A 1 79 ? 25.241 4.381 22.604 1.00 17.98 ? 79 SER E OG 1 ATOM 578 N N . SER A 1 80 ? 28.374 3.124 24.529 1.00 12.86 ? 80 SER E N 1 ATOM 579 C CA . SER A 1 80 ? 29.664 3.640 24.909 1.00 11.52 ? 80 SER E CA 1 ATOM 580 C C . SER A 1 80 ? 30.695 3.137 23.922 1.00 14.64 ? 80 SER E C 1 ATOM 581 O O . SER A 1 80 ? 30.501 2.207 23.071 1.00 13.78 ? 80 SER E O 1 ATOM 582 C CB . SER A 1 80 ? 29.977 3.292 26.348 1.00 15.29 ? 80 SER E CB 1 ATOM 583 O OG . SER A 1 80 ? 30.076 1.882 26.448 1.00 21.98 ? 80 SER E OG 1 ATOM 584 N N . ALA A 1 81 ? 31.826 3.840 23.925 1.00 13.22 ? 81 ALA E N 1 ATOM 585 C CA . ALA A 1 81 ? 32.985 3.562 23.089 1.00 12.83 ? 81 ALA E CA 1 ATOM 586 C C . ALA A 1 81 ? 34.213 4.216 23.738 1.00 9.82 ? 81 ALA E C 1 ATOM 587 O O . ALA A 1 81 ? 34.113 5.158 24.504 1.00 10.77 ? 81 ALA E O 1 ATOM 588 C CB . ALA A 1 81 ? 32.782 4.079 21.651 1.00 13.15 ? 81 ALA E CB 1 ATOM 589 N N . SER A 1 82 ? 35.361 3.592 23.457 1.00 10.43 ? 82 SER E N 1 ATOM 590 C CA . SER A 1 82 ? 36.647 4.127 23.958 1.00 10.63 ? 82 SER E CA 1 ATOM 591 C C . SER A 1 82 ? 37.823 3.748 23.059 1.00 10.30 ? 82 SER E C 1 ATOM 592 O O . SER A 1 82 ? 37.690 2.882 22.173 1.00 9.07 ? 82 SER E O 1 ATOM 593 C CB . SER A 1 82 ? 36.841 3.701 25.394 1.00 15.56 ? 82 SER E CB 1 ATOM 594 O OG . SER A 1 82 ? 36.975 2.299 25.385 1.00 13.52 ? 82 SER E OG 1 ATOM 595 N N . GLY A 1 83 ? 38.939 4.499 23.212 1.00 8.22 ? 83 GLY E N 1 ATOM 596 C CA . GLY A 1 83 ? 40.116 4.183 22.431 1.00 8.62 ? 83 GLY E CA 1 ATOM 597 C C . GLY A 1 83 ? 41.177 5.208 22.611 1.00 8.48 ? 83 GLY E C 1 ATOM 598 O O . GLY A 1 83 ? 41.231 5.791 23.695 1.00 10.13 ? 83 GLY E O 1 ATOM 599 N N . ASN A 1 84 ? 41.977 5.349 21.561 1.00 7.62 ? 84 ASN E N 1 ATOM 600 C CA . ASN A 1 84 ? 43.127 6.232 21.512 1.00 8.50 ? 84 ASN E CA 1 ATOM 601 C C . ASN A 1 84 ? 43.027 7.286 20.386 1.00 9.70 ? 84 ASN E C 1 ATOM 602 O O . ASN A 1 84 ? 41.957 7.334 19.737 1.00 9.68 ? 84 ASN E O 1 ATOM 603 C CB . ASN A 1 84 ? 44.414 5.435 21.548 1.00 8.91 ? 84 ASN E CB 1 ATOM 604 C CG . ASN A 1 84 ? 44.597 4.552 20.339 1.00 11.19 ? 84 ASN E CG 1 ATOM 605 O OD1 . ASN A 1 84 ? 43.675 4.410 19.532 1.00 10.35 ? 84 ASN E OD1 1 ATOM 606 N ND2 . ASN A 1 84 ? 45.716 3.979 20.066 1.00 10.96 ? 84 ASN E ND2 1 ATOM 607 N N . VAL A 1 85 ? 44.004 8.176 20.258 1.00 9.08 ? 85 VAL E N 1 ATOM 608 C CA . VAL A 1 85 ? 43.807 9.333 19.384 1.00 6.60 ? 85 VAL E CA 1 ATOM 609 C C . VAL A 1 85 ? 44.948 9.564 18.467 1.00 8.43 ? 85 VAL E C 1 ATOM 610 O O . VAL A 1 85 ? 46.103 9.485 18.829 1.00 8.36 ? 85 VAL E O 1 ATOM 611 C CB . VAL A 1 85 ? 43.666 10.561 20.338 1.00 10.14 ? 85 VAL E CB 1 ATOM 612 C CG1 . VAL A 1 85 ? 43.315 11.882 19.606 1.00 10.96 ? 85 VAL E CG1 1 ATOM 613 C CG2 . VAL A 1 85 ? 42.661 10.350 21.476 1.00 10.36 ? 85 VAL E CG2 1 ATOM 614 N N . PHE A 1 86 ? 44.574 9.937 17.229 1.00 8.53 ? 86 PHE E N 1 ATOM 615 C CA . PHE A 1 86 ? 45.492 10.281 16.161 1.00 8.27 ? 86 PHE E CA 1 ATOM 616 C C . PHE A 1 86 ? 45.054 11.605 15.555 1.00 8.81 ? 86 PHE E C 1 ATOM 617 O O . PHE A 1 86 ? 43.832 11.978 15.723 1.00 12.95 ? 86 PHE E O 1 ATOM 618 C CB . PHE A 1 86 ? 45.492 9.225 15.003 1.00 9.76 ? 86 PHE E CB 1 ATOM 619 C CG . PHE A 1 86 ? 45.930 7.893 15.552 1.00 9.78 ? 86 PHE E CG 1 ATOM 620 C CD1 . PHE A 1 86 ? 45.021 7.144 16.282 1.00 10.80 ? 86 PHE E CD1 1 ATOM 621 C CD2 . PHE A 1 86 ? 47.220 7.480 15.366 1.00 11.90 ? 86 PHE E CD2 1 ATOM 622 C CE1 . PHE A 1 86 ? 45.402 5.942 16.908 1.00 14.44 ? 86 PHE E CE1 1 ATOM 623 C CE2 . PHE A 1 86 ? 47.671 6.262 15.944 1.00 14.88 ? 86 PHE E CE2 1 ATOM 624 C CZ . PHE A 1 86 ? 46.761 5.523 16.696 1.00 10.34 ? 86 PHE E CZ 1 ATOM 625 N N . THR A 1 87 ? 45.927 12.263 14.878 1.00 7.80 ? 87 THR E N 1 ATOM 626 C CA . THR A 1 87 ? 45.503 13.488 14.110 1.00 6.64 ? 87 THR E CA 1 ATOM 627 C C . THR A 1 87 ? 45.641 13.040 12.635 1.00 10.03 ? 87 THR E C 1 ATOM 628 O O . THR A 1 87 ? 46.525 12.271 12.297 1.00 9.13 ? 87 THR E O 1 ATOM 629 C CB . THR A 1 87 ? 46.220 14.813 14.447 1.00 9.23 ? 87 THR E CB 1 ATOM 630 O OG1 . THR A 1 87 ? 47.602 14.620 14.136 1.00 12.01 ? 87 THR E OG1 1 ATOM 631 C CG2 . THR A 1 87 ? 46.036 15.217 15.932 1.00 10.57 ? 87 THR E CG2 1 ATOM 632 N N . ASP A 1 88 ? 44.738 13.562 11.816 1.00 8.05 ? 88 ASP E N 1 ATOM 633 C CA . ASP A 1 88 ? 44.782 13.196 10.366 1.00 8.29 ? 88 ASP E CA 1 ATOM 634 C C . ASP A 1 88 ? 44.012 14.260 9.606 1.00 8.36 ? 88 ASP E C 1 ATOM 635 O O . ASP A 1 88 ? 43.458 15.165 10.246 1.00 11.19 ? 88 ASP E O 1 ATOM 636 C CB . ASP A 1 88 ? 44.148 11.799 10.210 1.00 9.03 ? 88 ASP E CB 1 ATOM 637 C CG . ASP A 1 88 ? 44.717 11.008 9.023 1.00 12.47 ? 88 ASP E CG 1 ATOM 638 O OD1 . ASP A 1 88 ? 44.842 9.765 9.122 1.00 12.21 ? 88 ASP E OD1 1 ATOM 639 O OD2 . ASP A 1 88 ? 45.139 11.568 8.014 1.00 9.31 ? 88 ASP E OD2 1 ATOM 640 N N . SER A 1 89 ? 43.897 14.103 8.293 1.00 9.75 ? 89 SER E N 1 ATOM 641 C CA . SER A 1 89 ? 43.134 15.049 7.476 1.00 9.54 ? 89 SER E CA 1 ATOM 642 C C . SER A 1 89 ? 41.706 14.462 7.341 1.00 11.17 ? 89 SER E C 1 ATOM 643 O O . SER A 1 89 ? 41.607 13.261 7.079 1.00 9.75 ? 89 SER E O 1 ATOM 644 C CB . SER A 1 89 ? 43.753 15.464 6.127 1.00 15.25 ? 89 SER E CB 1 ATOM 645 O OG . SER A 1 89 ? 44.113 14.227 5.591 1.00 26.31 ? 89 SER E OG 1 ATOM 646 N N . VAL A 1 90 ? 40.733 15.358 7.639 1.00 9.90 ? 90 VAL E N 1 ATOM 647 C CA . VAL A 1 90 ? 39.328 14.932 7.582 1.00 7.67 ? 90 VAL E CA 1 ATOM 648 C C . VAL A 1 90 ? 38.632 15.869 6.605 1.00 9.78 ? 90 VAL E C 1 ATOM 649 O O . VAL A 1 90 ? 38.690 17.090 6.798 1.00 8.65 ? 90 VAL E O 1 ATOM 650 C CB . VAL A 1 90 ? 38.700 14.960 8.986 1.00 6.86 ? 90 VAL E CB 1 ATOM 651 C CG1 . VAL A 1 90 ? 37.197 14.640 8.940 1.00 8.93 ? 90 VAL E CG1 1 ATOM 652 C CG2 . VAL A 1 90 ? 39.426 14.050 9.943 1.00 8.82 ? 90 VAL E CG2 1 ATOM 653 N N . THR A 1 91 ? 38.004 15.303 5.585 1.00 8.66 ? 91 THR E N 1 ATOM 654 C CA . THR A 1 91 ? 37.248 16.082 4.607 1.00 8.06 ? 91 THR E CA 1 ATOM 655 C C . THR A 1 91 ? 35.763 15.745 4.593 1.00 8.61 ? 91 THR E C 1 ATOM 656 O O . THR A 1 91 ? 35.394 14.569 4.519 1.00 8.65 ? 91 THR E O 1 ATOM 657 C CB . THR A 1 91 ? 37.828 15.814 3.121 1.00 8.64 ? 91 THR E CB 1 ATOM 658 O OG1 . THR A 1 91 ? 39.218 16.122 3.157 1.00 10.11 ? 91 THR E OG1 1 ATOM 659 C CG2 . THR A 1 91 ? 36.988 16.601 2.139 1.00 10.21 ? 91 THR E CG2 1 ATOM 660 N N . VAL A 1 92 ? 34.945 16.809 4.702 1.00 7.33 ? 92 VAL E N 1 ATOM 661 C CA . VAL A 1 92 ? 33.494 16.665 4.736 1.00 8.94 ? 92 VAL E CA 1 ATOM 662 C C . VAL A 1 92 ? 32.966 17.692 3.699 1.00 9.60 ? 92 VAL E C 1 ATOM 663 O O . VAL A 1 92 ? 33.208 18.889 3.807 1.00 10.28 ? 92 VAL E O 1 ATOM 664 C CB . VAL A 1 92 ? 32.885 17.008 6.115 1.00 11.78 ? 92 VAL E CB 1 ATOM 665 C CG1 . VAL A 1 92 ? 31.332 16.939 6.167 1.00 10.20 ? 92 VAL E CG1 1 ATOM 666 C CG2 . VAL A 1 92 ? 33.436 16.168 7.240 1.00 9.72 ? 92 VAL E CG2 1 ATOM 667 N N . GLY A 1 93 ? 32.276 17.136 2.720 1.00 10.89 ? 93 GLY E N 1 ATOM 668 C CA . GLY A 1 93 ? 31.676 17.971 1.642 1.00 11.70 ? 93 GLY E CA 1 ATOM 669 C C . GLY A 1 93 ? 32.655 18.961 1.050 1.00 14.59 ? 93 GLY E C 1 ATOM 670 O O . GLY A 1 93 ? 32.358 20.121 0.692 1.00 16.12 ? 93 GLY E O 1 ATOM 671 N N . GLY A 1 94 ? 33.866 18.512 0.844 1.00 13.23 ? 94 GLY E N 1 ATOM 672 C CA . GLY A 1 94 ? 34.944 19.212 0.277 1.00 15.06 ? 94 GLY E CA 1 ATOM 673 C C . GLY A 1 94 ? 35.612 20.212 1.167 1.00 15.67 ? 94 GLY E C 1 ATOM 674 O O . GLY A 1 94 ? 36.448 20.912 0.583 1.00 18.29 ? 94 GLY E O 1 ATOM 675 N N . VAL A 1 95 ? 35.362 20.310 2.422 1.00 12.97 ? 95 VAL E N 1 ATOM 676 C CA . VAL A 1 95 ? 36.036 21.205 3.367 1.00 12.46 ? 95 VAL E CA 1 ATOM 677 C C . VAL A 1 95 ? 36.983 20.267 4.147 1.00 11.66 ? 95 VAL E C 1 ATOM 678 O O . VAL A 1 95 ? 36.494 19.290 4.731 1.00 10.93 ? 95 VAL E O 1 ATOM 679 C CB . VAL A 1 95 ? 34.965 21.815 4.296 1.00 12.11 ? 95 VAL E CB 1 ATOM 680 C CG1 . VAL A 1 95 ? 35.644 22.536 5.434 1.00 12.01 ? 95 VAL E CG1 1 ATOM 681 C CG2 . VAL A 1 95 ? 34.029 22.706 3.511 1.00 15.05 ? 95 VAL E CG2 1 ATOM 682 N N . THR A 1 96 ? 38.259 20.569 4.105 1.00 11.76 ? 96 THR E N 1 ATOM 683 C CA . THR A 1 96 ? 39.286 19.761 4.771 1.00 12.79 ? 96 THR E CA 1 ATOM 684 C C . THR A 1 96 ? 39.829 20.379 6.060 1.00 13.75 ? 96 THR E C 1 ATOM 685 O O . THR A 1 96 ? 40.196 21.545 6.061 1.00 13.56 ? 96 THR E O 1 ATOM 686 C CB . THR A 1 96 ? 40.528 19.439 3.841 1.00 10.28 ? 96 THR E CB 1 ATOM 687 O OG1 . THR A 1 96 ? 39.937 18.747 2.734 1.00 14.61 ? 96 THR E OG1 1 ATOM 688 C CG2 . THR A 1 96 ? 41.487 18.489 4.506 1.00 12.66 ? 96 THR E CG2 1 ATOM 689 N N . ALA A 1 97 ? 39.810 19.572 7.099 1.00 12.29 ? 97 ALA E N 1 ATOM 690 C CA . ALA A 1 97 ? 40.391 19.955 8.396 1.00 13.14 ? 97 ALA E CA 1 ATOM 691 C C . ALA A 1 97 ? 41.706 19.174 8.440 1.00 12.62 ? 97 ALA E C 1 ATOM 692 O O . ALA A 1 97 ? 41.777 17.971 8.357 1.00 13.63 ? 97 ALA E O 1 ATOM 693 C CB . ALA A 1 97 ? 39.497 19.557 9.518 1.00 12.22 ? 97 ALA E CB 1 ATOM 694 N N . HIS A 1 98 ? 42.814 19.892 8.579 1.00 12.37 ? 98 HIS E N 1 ATOM 695 C CA . HIS A 1 98 ? 44.136 19.275 8.682 1.00 14.63 ? 98 HIS E CA 1 ATOM 696 C C . HIS A 1 98 ? 44.467 19.167 10.156 1.00 14.02 ? 98 HIS E C 1 ATOM 697 O O . HIS A 1 98 ? 44.172 20.132 10.887 1.00 18.20 ? 98 HIS E O 1 ATOM 698 C CB . HIS A 1 98 ? 45.116 20.238 8.005 1.00 22.06 ? 98 HIS E CB 1 ATOM 699 C CG . HIS A 1 98 ? 44.863 20.344 6.534 1.00 26.54 ? 98 HIS E CG 1 ATOM 700 N ND1 . HIS A 1 98 ? 45.263 19.364 5.643 1.00 28.85 ? 98 HIS E ND1 1 ATOM 701 C CD2 . HIS A 1 98 ? 44.226 21.323 5.829 1.00 31.10 ? 98 HIS E CD2 1 ATOM 702 C CE1 . HIS A 1 98 ? 44.928 19.798 4.417 1.00 31.43 ? 98 HIS E CE1 1 ATOM 703 N NE2 . HIS A 1 98 ? 44.280 20.949 4.503 1.00 31.41 ? 98 HIS E NE2 1 ATOM 704 N N . GLY A 1 99 ? 45.047 18.090 10.574 1.00 11.24 ? 99 GLY E N 1 ATOM 705 C CA . GLY A 1 99 ? 45.397 17.932 11.990 1.00 13.41 ? 99 GLY E CA 1 ATOM 706 C C . GLY A 1 99 ? 44.181 17.797 12.883 1.00 10.20 ? 99 GLY E C 1 ATOM 707 O O . GLY A 1 99 ? 44.269 18.131 14.090 1.00 15.11 ? 99 GLY E O 1 ATOM 708 N N . GLN A 1 100 ? 43.068 17.301 12.343 1.00 8.46 ? 100 GLN E N 1 ATOM 709 C CA . GLN A 1 100 ? 41.875 17.047 13.141 1.00 9.33 ? 100 GLN E CA 1 ATOM 710 C C . GLN A 1 100 ? 42.102 15.789 14.022 1.00 9.69 ? 100 GLN E C 1 ATOM 711 O O . GLN A 1 100 ? 42.655 14.821 13.508 1.00 9.14 ? 100 GLN E O 1 ATOM 712 C CB . GLN A 1 100 ? 40.655 16.830 12.269 1.00 7.07 ? 100 GLN E CB 1 ATOM 713 C CG . GLN A 1 100 ? 39.414 16.211 12.955 1.00 7.11 ? 100 GLN E CG 1 ATOM 714 C CD . GLN A 1 100 ? 38.831 17.225 13.882 1.00 9.86 ? 100 GLN E CD 1 ATOM 715 O OE1 . GLN A 1 100 ? 38.843 18.425 13.646 1.00 9.89 ? 100 GLN E OE1 1 ATOM 716 N NE2 . GLN A 1 100 ? 38.407 16.777 15.044 1.00 9.54 ? 100 GLN E NE2 1 ATOM 717 N N . ALA A 1 101 ? 41.686 15.873 15.264 1.00 7.17 ? 101 ALA E N 1 ATOM 718 C CA . ALA A 1 101 ? 41.803 14.708 16.159 1.00 7.57 ? 101 ALA E CA 1 ATOM 719 C C . ALA A 1 101 ? 40.784 13.703 15.726 1.00 8.14 ? 101 ALA E C 1 ATOM 720 O O . ALA A 1 101 ? 39.558 13.958 15.679 1.00 8.77 ? 101 ALA E O 1 ATOM 721 C CB . ALA A 1 101 ? 41.541 15.116 17.587 1.00 8.46 ? 101 ALA E CB 1 ATOM 722 N N . VAL A 1 102 ? 41.169 12.482 15.506 1.00 8.12 ? 102 VAL E N 1 ATOM 723 C CA . VAL A 1 102 ? 40.366 11.340 15.102 1.00 7.57 ? 102 VAL E CA 1 ATOM 724 C C . VAL A 1 102 ? 40.536 10.321 16.252 1.00 7.56 ? 102 VAL E C 1 ATOM 725 O O . VAL A 1 102 ? 41.653 9.883 16.527 1.00 9.23 ? 102 VAL E O 1 ATOM 726 C CB . VAL A 1 102 ? 40.814 10.736 13.749 1.00 6.82 ? 102 VAL E CB 1 ATOM 727 C CG1 . VAL A 1 102 ? 39.995 9.458 13.509 1.00 7.43 ? 102 VAL E CG1 1 ATOM 728 C CG2 . VAL A 1 102 ? 40.774 11.736 12.644 1.00 7.11 ? 102 VAL E CG2 1 ATOM 729 N N . GLN A 1 103 ? 39.394 10.000 16.828 1.00 5.98 ? 103 GLN E N 1 ATOM 730 C CA . GLN A 1 103 ? 39.345 9.062 17.978 1.00 5.86 ? 103 GLN E CA 1 ATOM 731 C C . GLN A 1 103 ? 39.083 7.659 17.450 1.00 6.63 ? 103 GLN E C 1 ATOM 732 O O . GLN A 1 103 ? 37.987 7.327 17.043 1.00 7.49 ? 103 GLN E O 1 ATOM 733 C CB . GLN A 1 103 ? 38.288 9.614 18.950 1.00 8.01 ? 103 GLN E CB 1 ATOM 734 C CG . GLN A 1 103 ? 38.678 11.031 19.405 1.00 8.26 ? 103 GLN E CG 1 ATOM 735 C CD . GLN A 1 103 ? 37.515 11.684 20.139 1.00 7.75 ? 103 GLN E CD 1 ATOM 736 O OE1 . GLN A 1 103 ? 37.196 12.872 19.933 1.00 9.29 ? 103 GLN E OE1 1 ATOM 737 N NE2 . GLN A 1 103 ? 36.898 10.843 20.953 1.00 4.19 ? 103 GLN E NE2 1 ATOM 738 N N . ALA A 1 104 ? 40.140 6.858 17.432 1.00 6.48 ? 104 ALA E N 1 ATOM 739 C CA . ALA A 1 104 ? 40.134 5.469 16.917 1.00 8.28 ? 104 ALA E CA 1 ATOM 740 C C . ALA A 1 104 ? 39.568 4.570 17.987 1.00 7.25 ? 104 ALA E C 1 ATOM 741 O O . ALA A 1 104 ? 40.118 4.455 19.108 1.00 9.66 ? 104 ALA E O 1 ATOM 742 C CB . ALA A 1 104 ? 41.553 5.104 16.534 1.00 9.93 ? 104 ALA E CB 1 ATOM 743 N N . ALA A 1 105 ? 38.512 3.842 17.647 1.00 7.27 ? 105 ALA E N 1 ATOM 744 C CA . ALA A 1 105 ? 37.916 2.924 18.619 1.00 7.52 ? 105 ALA E CA 1 ATOM 745 C C . ALA A 1 105 ? 38.767 1.659 18.861 1.00 9.37 ? 105 ALA E C 1 ATOM 746 O O . ALA A 1 105 ? 39.265 1.045 17.926 1.00 11.76 ? 105 ALA E O 1 ATOM 747 C CB . ALA A 1 105 ? 36.519 2.462 18.194 1.00 8.07 ? 105 ALA E CB 1 ATOM 748 N N . GLN A 1 106 ? 38.851 1.388 20.171 1.00 11.19 ? 106 GLN E N 1 ATOM 749 C CA . GLN A 1 106 ? 39.492 0.144 20.687 1.00 11.31 ? 106 GLN E CA 1 ATOM 750 C C . GLN A 1 106 ? 38.398 -0.747 21.283 1.00 13.41 ? 106 GLN E C 1 ATOM 751 O O . GLN A 1 106 ? 38.582 -1.993 21.281 1.00 15.22 ? 106 GLN E O 1 ATOM 752 C CB . GLN A 1 106 ? 40.576 0.393 21.748 1.00 10.00 ? 106 GLN E CB 1 ATOM 753 C CG . GLN A 1 106 ? 41.821 0.862 21.033 1.00 9.25 ? 106 GLN E CG 1 ATOM 754 C CD . GLN A 1 106 ? 42.922 1.261 21.970 1.00 13.25 ? 106 GLN E CD 1 ATOM 755 O OE1 . GLN A 1 106 ? 42.643 1.944 22.896 1.00 14.09 ? 106 GLN E OE1 1 ATOM 756 N NE2 . GLN A 1 106 ? 44.110 0.714 21.750 1.00 14.69 ? 106 GLN E NE2 1 ATOM 757 N N . GLN A 1 107 ? 37.322 -0.213 21.794 1.00 12.72 ? 107 GLN E N 1 ATOM 758 C CA . GLN A 1 107 ? 36.191 -0.937 22.353 1.00 14.92 ? 107 GLN E CA 1 ATOM 759 C C . GLN A 1 107 ? 34.889 -0.203 21.972 1.00 13.36 ? 107 GLN E C 1 ATOM 760 O O . GLN A 1 107 ? 34.920 1.018 21.977 1.00 11.85 ? 107 GLN E O 1 ATOM 761 C CB . GLN A 1 107 ? 36.211 -1.026 23.869 1.00 19.58 ? 107 GLN E CB 1 ATOM 762 C CG . GLN A 1 107 ? 37.614 -1.255 24.346 1.00 34.24 ? 107 GLN E CG 1 ATOM 763 C CD . GLN A 1 107 ? 38.026 -2.709 24.426 1.00 43.91 ? 107 GLN E CD 1 ATOM 764 O OE1 . GLN A 1 107 ? 39.204 -3.041 24.691 1.00 48.82 ? 107 GLN E OE1 1 ATOM 765 N NE2 . GLN A 1 107 ? 37.088 -3.643 24.199 1.00 48.45 ? 107 GLN E NE2 1 ATOM 766 N N . ILE A 1 108 ? 33.841 -0.933 21.708 1.00 12.41 ? 108 ILE E N 1 ATOM 767 C CA . ILE A 1 108 ? 32.524 -0.390 21.368 1.00 12.16 ? 108 ILE E CA 1 ATOM 768 C C . ILE A 1 108 ? 31.476 -1.298 22.033 1.00 13.53 ? 108 ILE E C 1 ATOM 769 O O . ILE A 1 108 ? 31.733 -2.513 22.101 1.00 13.33 ? 108 ILE E O 1 ATOM 770 C CB . ILE A 1 108 ? 32.289 -0.330 19.811 1.00 12.50 ? 108 ILE E CB 1 ATOM 771 C CG1 . ILE A 1 108 ? 32.501 -1.701 19.181 1.00 12.97 ? 108 ILE E CG1 1 ATOM 772 C CG2 . ILE A 1 108 ? 33.113 0.750 19.063 1.00 12.52 ? 108 ILE E CG2 1 ATOM 773 C CD1 . ILE A 1 108 ? 32.301 -1.849 17.683 1.00 15.00 ? 108 ILE E CD1 1 ATOM 774 N N . SER A 1 109 ? 30.361 -0.779 22.515 1.00 14.80 ? 109 SER E N 1 ATOM 775 C CA . SER A 1 109 ? 29.355 -1.563 23.206 1.00 14.64 ? 109 SER E CA 1 ATOM 776 C C . SER A 1 109 ? 28.544 -2.244 22.140 1.00 15.00 ? 109 SER E C 1 ATOM 777 O O . SER A 1 109 ? 28.604 -1.905 20.931 1.00 16.50 ? 109 SER E O 1 ATOM 778 C CB . SER A 1 109 ? 28.548 -0.642 24.106 1.00 13.89 ? 109 SER E CB 1 ATOM 779 O OG . SER A 1 109 ? 27.859 0.236 23.242 1.00 13.93 ? 109 SER E OG 1 ATOM 780 N N . ALA A 1 110 ? 27.714 -3.177 22.572 1.00 15.72 ? 110 ALA E N 1 ATOM 781 C CA . ALA A 1 110 ? 26.895 -3.933 21.632 1.00 16.34 ? 110 ALA E CA 1 ATOM 782 C C . ALA A 1 110 ? 26.069 -3.114 20.672 1.00 16.01 ? 110 ALA E C 1 ATOM 783 O O . ALA A 1 110 ? 25.880 -3.580 19.568 1.00 15.20 ? 110 ALA E O 1 ATOM 784 C CB . ALA A 1 110 ? 25.920 -4.787 22.479 1.00 17.49 ? 110 ALA E CB 1 ATOM 785 N N . GLN A 1 111 ? 25.502 -1.974 21.094 1.00 16.93 ? 111 GLN E N 1 ATOM 786 C CA . GLN A 1 111 ? 24.656 -1.184 20.154 1.00 17.96 ? 111 GLN E CA 1 ATOM 787 C C . GLN A 1 111 ? 25.375 -0.861 18.884 1.00 15.34 ? 111 GLN E C 1 ATOM 788 O O . GLN A 1 111 ? 24.851 -0.883 17.750 1.00 16.38 ? 111 GLN E O 1 ATOM 789 C CB . GLN A 1 111 ? 24.075 0.048 20.887 1.00 23.70 ? 111 GLN E CB 1 ATOM 790 C CG . GLN A 1 111 ? 23.081 0.812 20.004 1.00 32.75 ? 111 GLN E CG 1 ATOM 791 C CD . GLN A 1 111 ? 22.402 2.021 20.622 1.00 36.83 ? 111 GLN E CD 1 ATOM 792 O OE1 . GLN A 1 111 ? 21.560 1.887 21.553 1.00 42.88 ? 111 GLN E OE1 1 ATOM 793 N NE2 . GLN A 1 111 ? 22.697 3.215 20.083 1.00 32.18 ? 111 GLN E NE2 1 ATOM 794 N N . PHE A 1 112 ? 26.643 -0.498 18.995 1.00 13.51 ? 112 PHE E N 1 ATOM 795 C CA . PHE A 1 112 ? 27.512 -0.146 17.907 1.00 13.61 ? 112 PHE E CA 1 ATOM 796 C C . PHE A 1 112 ? 27.950 -1.397 17.126 1.00 13.74 ? 112 PHE E C 1 ATOM 797 O O . PHE A 1 112 ? 28.025 -1.352 15.885 1.00 14.76 ? 112 PHE E O 1 ATOM 798 C CB . PHE A 1 112 ? 28.694 0.652 18.479 1.00 12.44 ? 112 PHE E CB 1 ATOM 799 C CG . PHE A 1 112 ? 28.311 2.013 18.972 1.00 12.68 ? 112 PHE E CG 1 ATOM 800 C CD1 . PHE A 1 112 ? 28.603 2.390 20.280 1.00 14.99 ? 112 PHE E CD1 1 ATOM 801 C CD2 . PHE A 1 112 ? 27.595 2.873 18.126 1.00 14.60 ? 112 PHE E CD2 1 ATOM 802 C CE1 . PHE A 1 112 ? 28.238 3.659 20.753 1.00 16.53 ? 112 PHE E CE1 1 ATOM 803 C CE2 . PHE A 1 112 ? 27.179 4.149 18.611 1.00 13.81 ? 112 PHE E CE2 1 ATOM 804 C CZ . PHE A 1 112 ? 27.536 4.517 19.919 1.00 15.47 ? 112 PHE E CZ 1 ATOM 805 N N . GLN A 1 113 ? 28.194 -2.466 17.840 1.00 16.13 ? 113 GLN E N 1 ATOM 806 C CA . GLN A 1 113 ? 28.584 -3.719 17.147 1.00 20.72 ? 113 GLN E CA 1 ATOM 807 C C . GLN A 1 113 ? 27.417 -4.168 16.271 1.00 21.49 ? 113 GLN E C 1 ATOM 808 O O . GLN A 1 113 ? 27.721 -4.715 15.222 1.00 24.25 ? 113 GLN E O 1 ATOM 809 C CB . GLN A 1 113 ? 28.979 -4.839 18.070 1.00 22.92 ? 113 GLN E CB 1 ATOM 810 C CG . GLN A 1 113 ? 30.190 -4.582 18.923 1.00 26.98 ? 113 GLN E CG 1 ATOM 811 C CD . GLN A 1 113 ? 30.308 -5.437 20.168 1.00 31.74 ? 113 GLN E CD 1 ATOM 812 O OE1 . GLN A 1 113 ? 30.064 -6.655 20.024 1.00 38.50 ? 113 GLN E OE1 1 ATOM 813 N NE2 . GLN A 1 113 ? 30.624 -5.008 21.393 1.00 29.84 ? 113 GLN E NE2 1 ATOM 814 N N . GLN A 1 114 ? 26.198 -3.962 16.688 1.00 19.94 ? 114 GLN E N 1 ATOM 815 C CA . GLN A 1 114 ? 25.047 -4.428 15.895 1.00 21.22 ? 114 GLN E CA 1 ATOM 816 C C . GLN A 1 114 ? 24.713 -3.544 14.730 1.00 22.57 ? 114 GLN E C 1 ATOM 817 O O . GLN A 1 114 ? 24.127 -4.056 13.770 1.00 23.99 ? 114 GLN E O 1 ATOM 818 C CB . GLN A 1 114 ? 23.829 -4.620 16.822 1.00 27.61 ? 114 GLN E CB 1 ATOM 819 C CG . GLN A 1 114 ? 23.780 -6.031 17.380 1.00 37.65 ? 114 GLN E CG 1 ATOM 820 C CD . GLN A 1 114 ? 23.387 -6.160 18.842 1.00 44.63 ? 114 GLN E CD 1 ATOM 821 O OE1 . GLN A 1 114 ? 22.594 -5.409 19.445 1.00 46.34 ? 114 GLN E OE1 1 ATOM 822 N NE2 . GLN A 1 114 ? 23.987 -7.219 19.446 1.00 48.38 ? 114 GLN E NE2 1 ATOM 823 N N . ASP A 1 115 ? 25.112 -2.276 14.734 1.00 21.34 ? 115 ASP E N 1 ATOM 824 C CA . ASP A 1 115 ? 24.740 -1.363 13.638 1.00 20.26 ? 115 ASP E CA 1 ATOM 825 C C . ASP A 1 115 ? 25.722 -1.373 12.516 1.00 19.85 ? 115 ASP E C 1 ATOM 826 O O . ASP A 1 115 ? 26.732 -0.683 12.796 1.00 21.82 ? 115 ASP E O 1 ATOM 827 C CB . ASP A 1 115 ? 24.596 0.057 14.241 1.00 21.23 ? 115 ASP E CB 1 ATOM 828 C CG . ASP A 1 115 ? 24.039 1.050 13.238 1.00 21.58 ? 115 ASP E CG 1 ATOM 829 O OD1 . ASP A 1 115 ? 23.804 0.760 12.056 1.00 23.20 ? 115 ASP E OD1 1 ATOM 830 O OD2 . ASP A 1 115 ? 23.760 2.168 13.688 1.00 23.70 ? 115 ASP E OD2 1 ATOM 831 N N . THR A 1 116 ? 25.495 -1.999 11.409 1.00 18.27 ? 116 THR E N 1 ATOM 832 C CA . THR A 1 116 ? 26.483 -1.922 10.330 1.00 19.79 ? 116 THR E CA 1 ATOM 833 C C . THR A 1 116 ? 26.222 -0.732 9.390 1.00 17.25 ? 116 THR E C 1 ATOM 834 O O . THR A 1 116 ? 26.949 -0.719 8.388 1.00 18.65 ? 116 THR E O 1 ATOM 835 C CB . THR A 1 116 ? 26.506 -3.273 9.540 1.00 22.73 ? 116 THR E CB 1 ATOM 836 O OG1 . THR A 1 116 ? 25.101 -3.547 9.259 1.00 26.36 ? 116 THR E OG1 1 ATOM 837 C CG2 . THR A 1 116 ? 27.082 -4.358 10.495 1.00 26.55 ? 116 THR E CG2 1 ATOM 838 N N . ASN A 1 117 ? 25.342 0.118 9.765 1.00 15.51 ? 117 ASN E N 1 ATOM 839 C CA . ASN A 1 117 ? 24.986 1.267 8.937 1.00 17.29 ? 117 ASN E CA 1 ATOM 840 C C . ASN A 1 117 ? 25.974 2.447 9.115 1.00 15.97 ? 117 ASN E C 1 ATOM 841 O O . ASN A 1 117 ? 26.083 3.259 8.200 1.00 15.92 ? 117 ASN E O 1 ATOM 842 C CB . ASN A 1 117 ? 23.567 1.774 9.252 1.00 19.67 ? 117 ASN E CB 1 ATOM 843 C CG . ASN A 1 117 ? 22.466 0.768 8.815 1.00 26.31 ? 117 ASN E CG 1 ATOM 844 O OD1 . ASN A 1 117 ? 22.552 0.393 7.611 1.00 26.64 ? 117 ASN E OD1 1 ATOM 845 N ND2 . ASN A 1 117 ? 21.639 0.505 9.841 1.00 24.52 ? 117 ASN E ND2 1 ATOM 846 N N . ASN A 1 118 ? 26.615 2.540 10.266 1.00 14.95 ? 118 ASN E N 1 ATOM 847 C CA . ASN A 1 118 ? 27.551 3.615 10.473 1.00 12.72 ? 118 ASN E CA 1 ATOM 848 C C . ASN A 1 118 ? 28.911 2.984 10.886 1.00 11.07 ? 118 ASN E C 1 ATOM 849 O O . ASN A 1 118 ? 28.971 1.866 11.402 1.00 12.81 ? 118 ASN E O 1 ATOM 850 C CB . ASN A 1 118 ? 27.050 4.727 11.353 1.00 15.51 ? 118 ASN E CB 1 ATOM 851 C CG . ASN A 1 118 ? 27.245 4.564 12.800 1.00 15.73 ? 118 ASN E CG 1 ATOM 852 O OD1 . ASN A 1 118 ? 28.303 4.137 13.257 1.00 18.12 ? 118 ASN E OD1 1 ATOM 853 N ND2 . ASN A 1 118 ? 26.211 4.753 13.599 1.00 19.28 ? 118 ASN E ND2 1 ATOM 854 N N . ASP A 1 119 ? 29.907 3.815 10.615 1.00 9.19 ? 119 ASP E N 1 ATOM 855 C CA . ASP A 1 119 ? 31.316 3.527 10.892 1.00 6.44 ? 119 ASP E CA 1 ATOM 856 C C . ASP A 1 119 ? 31.853 4.486 11.991 1.00 7.01 ? 119 ASP E C 1 ATOM 857 O O . ASP A 1 119 ? 33.098 4.578 12.127 1.00 7.11 ? 119 ASP E O 1 ATOM 858 C CB . ASP A 1 119 ? 32.235 3.546 9.657 1.00 7.57 ? 119 ASP E CB 1 ATOM 859 C CG . ASP A 1 119 ? 31.657 2.745 8.489 1.00 10.15 ? 119 ASP E CG 1 ATOM 860 O OD1 . ASP A 1 119 ? 31.284 1.638 8.789 1.00 9.19 ? 119 ASP E OD1 1 ATOM 861 O OD2 . ASP A 1 119 ? 31.593 3.254 7.368 1.00 10.19 ? 119 ASP E OD2 1 ATOM 862 N N . GLY A 1 120 ? 30.955 5.101 12.729 1.00 6.97 ? 120 GLY E N 1 ATOM 863 C CA . GLY A 1 120 ? 31.376 6.033 13.806 1.00 7.47 ? 120 GLY E CA 1 ATOM 864 C C . GLY A 1 120 ? 30.515 7.326 13.748 1.00 9.19 ? 120 GLY E C 1 ATOM 865 O O . GLY A 1 120 ? 29.513 7.391 13.048 1.00 8.06 ? 120 GLY E O 1 ATOM 866 N N . LEU A 1 121 ? 30.941 8.279 14.579 1.00 8.04 ? 121 LEU E N 1 ATOM 867 C CA . LEU A 1 121 ? 30.241 9.511 14.780 1.00 7.86 ? 121 LEU E CA 1 ATOM 868 C C . LEU A 1 121 ? 31.101 10.730 14.528 1.00 5.77 ? 121 LEU E C 1 ATOM 869 O O . LEU A 1 121 ? 32.276 10.657 14.801 1.00 6.95 ? 121 LEU E O 1 ATOM 870 C CB . LEU A 1 121 ? 29.727 9.425 16.229 1.00 9.03 ? 121 LEU E CB 1 ATOM 871 C CG . LEU A 1 121 ? 28.264 9.012 16.350 1.00 15.31 ? 121 LEU E CG 1 ATOM 872 C CD1 . LEU A 1 121 ? 28.133 7.515 16.357 1.00 13.43 ? 121 LEU E CD1 1 ATOM 873 C CD2 . LEU A 1 121 ? 27.761 9.630 17.616 1.00 18.45 ? 121 LEU E CD2 1 ATOM 874 N N . LEU A 1 122 ? 30.496 11.785 14.030 1.00 6.60 ? 122 LEU E N 1 ATOM 875 C CA . LEU A 1 122 ? 31.209 13.089 13.866 1.00 5.86 ? 122 LEU E CA 1 ATOM 876 C C . LEU A 1 122 ? 30.422 14.031 14.808 1.00 6.47 ? 122 LEU E C 1 ATOM 877 O O . LEU A 1 122 ? 29.263 14.375 14.504 1.00 7.02 ? 122 LEU E O 1 ATOM 878 C CB . LEU A 1 122 ? 31.222 13.464 12.382 1.00 6.42 ? 122 LEU E CB 1 ATOM 879 C CG . LEU A 1 122 ? 32.163 14.703 12.164 1.00 9.99 ? 122 LEU E CG 1 ATOM 880 C CD1 . LEU A 1 122 ? 32.922 14.619 10.848 1.00 10.29 ? 122 LEU E CD1 1 ATOM 881 C CD2 . LEU A 1 122 ? 31.322 15.944 12.185 1.00 10.42 ? 122 LEU E CD2 1 ATOM 882 N N . GLY A 1 123 ? 31.004 14.463 15.903 1.00 6.26 ? 123 GLY E N 1 ATOM 883 C CA . GLY A 1 123 ? 30.329 15.307 16.871 1.00 5.17 ? 123 GLY E CA 1 ATOM 884 C C . GLY A 1 123 ? 30.361 16.781 16.387 1.00 5.84 ? 123 GLY E C 1 ATOM 885 O O . GLY A 1 123 ? 31.385 17.338 15.949 1.00 7.23 ? 123 GLY E O 1 ATOM 886 N N . LEU A 1 124 ? 29.212 17.430 16.558 1.00 4.57 ? 124 LEU E N 1 ATOM 887 C CA . LEU A 1 124 ? 29.014 18.850 16.218 1.00 6.50 ? 124 LEU E CA 1 ATOM 888 C C . LEU A 1 124 ? 28.471 19.697 17.395 1.00 7.12 ? 124 LEU E C 1 ATOM 889 O O . LEU A 1 124 ? 28.033 20.838 17.147 1.00 7.54 ? 124 LEU E O 1 ATOM 890 C CB . LEU A 1 124 ? 28.079 18.972 14.987 1.00 5.99 ? 124 LEU E CB 1 ATOM 891 C CG . LEU A 1 124 ? 28.701 18.430 13.702 1.00 8.98 ? 124 LEU E CG 1 ATOM 892 C CD1 . LEU A 1 124 ? 27.640 18.258 12.613 1.00 10.78 ? 124 LEU E CD1 1 ATOM 893 C CD2 . LEU A 1 124 ? 29.835 19.366 13.245 1.00 8.67 ? 124 LEU E CD2 1 ATOM 894 N N . ALA A 1 125 ? 28.531 19.228 18.611 1.00 4.91 ? 125 ALA E N 1 ATOM 895 C CA . ALA A 1 125 ? 28.199 19.993 19.802 1.00 4.20 ? 125 ALA E CA 1 ATOM 896 C C . ALA A 1 125 ? 29.423 20.883 20.097 1.00 6.66 ? 125 ALA E C 1 ATOM 897 O O . ALA A 1 125 ? 30.374 20.892 19.291 1.00 8.08 ? 125 ALA E O 1 ATOM 898 C CB . ALA A 1 125 ? 27.912 19.087 21.007 1.00 3.19 ? 125 ALA E CB 1 ATOM 899 N N . PHE A 1 126 ? 29.430 21.644 21.179 1.00 6.56 ? 126 PHE E N 1 ATOM 900 C CA . PHE A 1 126 ? 30.577 22.541 21.481 1.00 7.22 ? 126 PHE E CA 1 ATOM 901 C C . PHE A 1 126 ? 31.783 21.715 21.962 1.00 6.80 ? 126 PHE E C 1 ATOM 902 O O . PHE A 1 126 ? 31.568 20.685 22.592 1.00 8.07 ? 126 PHE E O 1 ATOM 903 C CB . PHE A 1 126 ? 30.110 23.545 22.479 1.00 4.75 ? 126 PHE E CB 1 ATOM 904 C CG . PHE A 1 126 ? 29.126 24.474 21.874 1.00 5.66 ? 126 PHE E CG 1 ATOM 905 C CD1 . PHE A 1 126 ? 27.780 24.202 21.891 1.00 6.39 ? 126 PHE E CD1 1 ATOM 906 C CD2 . PHE A 1 126 ? 29.576 25.685 21.310 1.00 11.50 ? 126 PHE E CD2 1 ATOM 907 C CE1 . PHE A 1 126 ? 26.877 25.115 21.327 1.00 9.12 ? 126 PHE E CE1 1 ATOM 908 C CE2 . PHE A 1 126 ? 28.667 26.599 20.736 1.00 10.82 ? 126 PHE E CE2 1 ATOM 909 C CZ . PHE A 1 126 ? 27.328 26.285 20.748 1.00 10.04 ? 126 PHE E CZ 1 ATOM 910 N N . SER A 1 127 ? 32.972 22.179 21.610 1.00 7.11 ? 127 SER E N 1 ATOM 911 C CA . SER A 1 127 ? 34.186 21.425 21.920 1.00 6.06 ? 127 SER E CA 1 ATOM 912 C C . SER A 1 127 ? 34.406 21.271 23.436 1.00 8.86 ? 127 SER E C 1 ATOM 913 O O . SER A 1 127 ? 35.184 20.363 23.789 1.00 9.34 ? 127 SER E O 1 ATOM 914 C CB . SER A 1 127 ? 35.414 22.030 21.310 1.00 8.46 ? 127 SER E CB 1 ATOM 915 O OG . SER A 1 127 ? 35.357 21.885 19.914 1.00 9.26 ? 127 SER E OG 1 ATOM 916 N N . SER A 1 128 ? 33.794 22.077 24.239 1.00 8.58 ? 128 SER E N 1 ATOM 917 C CA . SER A 1 128 ? 33.944 22.006 25.698 1.00 9.76 ? 128 SER E CA 1 ATOM 918 C C . SER A 1 128 ? 33.621 20.627 26.272 1.00 11.61 ? 128 SER E C 1 ATOM 919 O O . SER A 1 128 ? 34.060 20.319 27.403 1.00 13.20 ? 128 SER E O 1 ATOM 920 C CB . SER A 1 128 ? 33.099 23.033 26.409 1.00 7.25 ? 128 SER E CB 1 ATOM 921 O OG . SER A 1 128 ? 31.731 22.956 26.158 1.00 13.08 ? 128 SER E OG 1 ATOM 922 N N . ILE A 1 129 ? 32.817 19.818 25.593 1.00 9.99 ? 129 ILE E N 1 ATOM 923 C CA . ILE A 1 129 ? 32.434 18.491 26.061 1.00 9.50 ? 129 ILE E CA 1 ATOM 924 C C . ILE A 1 129 ? 33.119 17.363 25.292 1.00 8.10 ? 129 ILE E C 1 ATOM 925 O O . ILE A 1 129 ? 32.702 16.198 25.424 1.00 8.66 ? 129 ILE E O 1 ATOM 926 C CB . ILE A 1 129 ? 30.882 18.298 26.109 1.00 10.55 ? 129 ILE E CB 1 ATOM 927 C CG1 . ILE A 1 129 ? 30.135 18.465 24.761 1.00 8.91 ? 129 ILE E CG1 1 ATOM 928 C CG2 . ILE A 1 129 ? 30.370 19.315 27.184 1.00 10.93 ? 129 ILE E CG2 1 ATOM 929 C CD1 . ILE A 1 129 ? 28.680 17.892 24.825 1.00 9.15 ? 129 ILE E CD1 1 ATOM 930 N N . ASN A 1 130 ? 34.189 17.695 24.597 1.00 6.37 ? 130 ASN E N 1 ATOM 931 C CA . ASN A 1 130 ? 34.955 16.613 23.943 1.00 6.88 ? 130 ASN E CA 1 ATOM 932 C C . ASN A 1 130 ? 35.603 15.796 25.087 1.00 8.77 ? 130 ASN E C 1 ATOM 933 O O . ASN A 1 130 ? 36.068 16.413 26.077 1.00 10.98 ? 130 ASN E O 1 ATOM 934 C CB . ASN A 1 130 ? 36.007 17.245 23.052 1.00 7.56 ? 130 ASN E CB 1 ATOM 935 C CG . ASN A 1 130 ? 36.921 16.182 22.467 1.00 9.38 ? 130 ASN E CG 1 ATOM 936 O OD1 . ASN A 1 130 ? 37.999 15.949 23.077 1.00 8.46 ? 130 ASN E OD1 1 ATOM 937 N ND2 . ASN A 1 130 ? 36.544 15.523 21.346 1.00 8.11 ? 130 ASN E ND2 1 ATOM 938 N N . THR A 1 131 ? 35.550 14.502 24.939 1.00 8.83 ? 131 THR E N 1 ATOM 939 C CA . THR A 1 131 ? 36.030 13.587 25.991 1.00 9.43 ? 131 THR E CA 1 ATOM 940 C C . THR A 1 131 ? 37.516 13.284 25.931 1.00 9.06 ? 131 THR E C 1 ATOM 941 O O . THR A 1 131 ? 37.915 12.519 26.821 1.00 10.66 ? 131 THR E O 1 ATOM 942 C CB . THR A 1 131 ? 35.190 12.259 26.053 1.00 8.38 ? 131 THR E CB 1 ATOM 943 O OG1 . THR A 1 131 ? 35.665 11.465 24.929 1.00 9.50 ? 131 THR E OG1 1 ATOM 944 C CG2 . THR A 1 131 ? 33.643 12.402 25.963 1.00 8.37 ? 131 THR E CG2 1 ATOM 945 N N . VAL A 1 132 ? 38.324 13.730 25.021 1.00 9.38 ? 132 VAL E N 1 ATOM 946 C CA . VAL A 1 132 ? 39.736 13.382 24.920 1.00 7.82 ? 132 VAL E CA 1 ATOM 947 C C . VAL A 1 132 ? 40.462 13.759 26.196 1.00 8.93 ? 132 VAL E C 1 ATOM 948 O O . VAL A 1 132 ? 40.285 14.867 26.673 1.00 10.35 ? 132 VAL E O 1 ATOM 949 C CB . VAL A 1 132 ? 40.390 13.881 23.626 1.00 7.78 ? 132 VAL E CB 1 ATOM 950 C CG1 . VAL A 1 132 ? 41.912 13.593 23.712 1.00 7.93 ? 132 VAL E CG1 1 ATOM 951 C CG2 . VAL A 1 132 ? 39.802 13.137 22.434 1.00 8.74 ? 132 VAL E CG2 1 ATOM 952 N N . GLN A 1 133 ? 41.336 12.912 26.713 1.00 11.02 ? 133 GLN E N 1 ATOM 953 C CA . GLN A 1 133 ? 42.149 13.103 27.911 1.00 11.95 ? 133 GLN E CA 1 ATOM 954 C C . GLN A 1 133 ? 43.626 12.889 27.549 1.00 9.63 ? 133 GLN E C 1 ATOM 955 O O . GLN A 1 133 ? 43.922 12.049 26.702 1.00 10.23 ? 133 GLN E O 1 ATOM 956 C CB . GLN A 1 133 ? 41.887 11.980 28.935 1.00 13.63 ? 133 GLN E CB 1 ATOM 957 C CG . GLN A 1 133 ? 40.520 11.772 29.482 1.00 24.28 ? 133 GLN E CG 1 ATOM 958 C CD . GLN A 1 133 ? 40.279 12.620 30.691 1.00 29.32 ? 133 GLN E CD 1 ATOM 959 O OE1 . GLN A 1 133 ? 39.631 12.129 31.659 1.00 35.20 ? 133 GLN E OE1 1 ATOM 960 N NE2 . GLN A 1 133 ? 40.833 13.824 30.610 1.00 24.22 ? 133 GLN E NE2 1 ATOM 961 N N . PRO A 1 134 ? 44.556 13.633 28.128 1.00 10.06 ? 134 PRO E N 1 ATOM 962 C CA . PRO A 1 134 ? 44.395 14.621 29.190 1.00 10.87 ? 134 PRO E CA 1 ATOM 963 C C . PRO A 1 134 ? 43.992 16.028 28.782 1.00 11.70 ? 134 PRO E C 1 ATOM 964 O O . PRO A 1 134 ? 43.700 16.832 29.714 1.00 11.97 ? 134 PRO E O 1 ATOM 965 C CB . PRO A 1 134 ? 45.778 14.703 29.856 1.00 10.25 ? 134 PRO E CB 1 ATOM 966 C CG . PRO A 1 134 ? 46.744 14.335 28.783 1.00 9.75 ? 134 PRO E CG 1 ATOM 967 C CD . PRO A 1 134 ? 46.009 13.365 27.844 1.00 9.21 ? 134 PRO E CD 1 ATOM 968 N N . GLN A 1 135 ? 44.020 16.297 27.510 1.00 10.38 ? 135 GLN E N 1 ATOM 969 C CA . GLN A 1 135 ? 43.623 17.615 26.962 1.00 10.40 ? 135 GLN E CA 1 ATOM 970 C C . GLN A 1 135 ? 42.542 17.396 25.907 1.00 10.29 ? 135 GLN E C 1 ATOM 971 O O . GLN A 1 135 ? 42.826 16.616 24.978 1.00 12.42 ? 135 GLN E O 1 ATOM 972 C CB . GLN A 1 135 ? 44.794 18.387 26.457 1.00 11.95 ? 135 GLN E CB 1 ATOM 973 C CG . GLN A 1 135 ? 45.740 18.643 27.653 1.00 14.36 ? 135 GLN E CG 1 ATOM 974 C CD . GLN A 1 135 ? 46.876 19.560 27.263 1.00 21.20 ? 135 GLN E CD 1 ATOM 975 O OE1 . GLN A 1 135 ? 47.224 20.568 27.875 1.00 21.06 ? 135 GLN E OE1 1 ATOM 976 N NE2 . GLN A 1 135 ? 47.532 19.178 26.198 1.00 23.87 ? 135 GLN E NE2 1 ATOM 977 N N . SER A 1 136 ? 41.441 18.067 26.093 1.00 9.38 ? 136 SER E N 1 ATOM 978 C CA . SER A 1 136 ? 40.307 17.924 25.136 1.00 10.21 ? 136 SER E CA 1 ATOM 979 C C . SER A 1 136 ? 40.697 18.482 23.772 1.00 11.84 ? 136 SER E C 1 ATOM 980 O O . SER A 1 136 ? 41.622 19.324 23.608 1.00 12.04 ? 136 SER E O 1 ATOM 981 C CB . SER A 1 136 ? 38.996 18.440 25.730 1.00 11.61 ? 136 SER E CB 1 ATOM 982 O OG . SER A 1 136 ? 39.264 19.821 25.923 1.00 15.12 ? 136 SER E OG 1 ATOM 983 N N . GLN A 1 137 ? 40.042 17.971 22.728 1.00 9.36 ? 137 GLN E N 1 ATOM 984 C CA . GLN A 1 137 ? 40.299 18.375 21.357 1.00 7.76 ? 137 GLN E CA 1 ATOM 985 C C . GLN A 1 137 ? 39.146 19.149 20.745 1.00 8.98 ? 137 GLN E C 1 ATOM 986 O O . GLN A 1 137 ? 38.038 19.157 21.367 1.00 11.20 ? 137 GLN E O 1 ATOM 987 C CB . GLN A 1 137 ? 40.635 17.142 20.469 1.00 9.82 ? 137 GLN E CB 1 ATOM 988 C CG . GLN A 1 137 ? 41.749 16.268 21.102 1.00 10.11 ? 137 GLN E CG 1 ATOM 989 C CD . GLN A 1 137 ? 43.072 16.975 20.992 1.00 12.43 ? 137 GLN E CD 1 ATOM 990 O OE1 . GLN A 1 137 ? 43.568 17.448 19.966 1.00 13.95 ? 137 GLN E OE1 1 ATOM 991 N NE2 . GLN A 1 137 ? 43.737 17.027 22.161 1.00 13.44 ? 137 GLN E NE2 1 ATOM 992 N N . THR A 1 138 ? 39.352 19.754 19.570 1.00 7.31 ? 138 THR E N 1 ATOM 993 C CA . THR A 1 138 ? 38.256 20.485 18.922 1.00 8.78 ? 138 THR E CA 1 ATOM 994 C C . THR A 1 138 ? 37.508 19.618 17.900 1.00 9.19 ? 138 THR E C 1 ATOM 995 O O . THR A 1 138 ? 38.063 18.744 17.265 1.00 8.98 ? 138 THR E O 1 ATOM 996 C CB . THR A 1 138 ? 38.709 21.855 18.242 1.00 9.59 ? 138 THR E CB 1 ATOM 997 O OG1 . THR A 1 138 ? 39.663 21.525 17.233 1.00 12.87 ? 138 THR E OG1 1 ATOM 998 C CG2 . THR A 1 138 ? 39.301 22.813 19.264 1.00 11.84 ? 138 THR E CG2 1 ATOM 999 N N . THR A 1 139 ? 36.209 19.869 17.761 1.00 8.56 ? 139 THR E N 1 ATOM 1000 C CA . THR A 1 139 ? 35.351 19.229 16.812 1.00 7.20 ? 139 THR E CA 1 ATOM 1001 C C . THR A 1 139 ? 35.775 19.623 15.392 1.00 8.41 ? 139 THR E C 1 ATOM 1002 O O . THR A 1 139 ? 36.477 20.638 15.184 1.00 10.18 ? 139 THR E O 1 ATOM 1003 C CB . THR A 1 139 ? 33.833 19.646 16.983 1.00 10.01 ? 139 THR E CB 1 ATOM 1004 O OG1 . THR A 1 139 ? 33.798 21.068 16.673 1.00 9.13 ? 139 THR E OG1 1 ATOM 1005 C CG2 . THR A 1 139 ? 33.235 19.392 18.383 1.00 6.39 ? 139 THR E CG2 1 ATOM 1006 N N . PHE A 1 140 ? 35.399 18.839 14.391 1.00 8.69 ? 140 PHE E N 1 ATOM 1007 C CA . PHE A 1 140 ? 35.688 19.194 12.997 1.00 7.05 ? 140 PHE E CA 1 ATOM 1008 C C . PHE A 1 140 ? 35.217 20.641 12.787 1.00 8.36 ? 140 PHE E C 1 ATOM 1009 O O . PHE A 1 140 ? 35.937 21.412 12.113 1.00 8.76 ? 140 PHE E O 1 ATOM 1010 C CB . PHE A 1 140 ? 34.869 18.205 12.117 1.00 7.54 ? 140 PHE E CB 1 ATOM 1011 C CG . PHE A 1 140 ? 34.877 18.631 10.676 1.00 9.99 ? 140 PHE E CG 1 ATOM 1012 C CD1 . PHE A 1 140 ? 35.983 18.330 9.894 1.00 7.93 ? 140 PHE E CD1 1 ATOM 1013 C CD2 . PHE A 1 140 ? 33.782 19.318 10.149 1.00 10.93 ? 140 PHE E CD2 1 ATOM 1014 C CE1 . PHE A 1 140 ? 35.984 18.706 8.538 1.00 7.95 ? 140 PHE E CE1 1 ATOM 1015 C CE2 . PHE A 1 140 ? 33.802 19.733 8.790 1.00 11.32 ? 140 PHE E CE2 1 ATOM 1016 C CZ . PHE A 1 140 ? 34.917 19.407 8.021 1.00 10.17 ? 140 PHE E CZ 1 ATOM 1017 N N . PHE A 1 141 ? 34.012 20.988 13.260 1.00 6.56 ? 141 PHE E N 1 ATOM 1018 C CA . PHE A 1 141 ? 33.509 22.347 12.982 1.00 6.46 ? 141 PHE E CA 1 ATOM 1019 C C . PHE A 1 141 ? 34.370 23.407 13.607 1.00 8.21 ? 141 PHE E C 1 ATOM 1020 O O . PHE A 1 141 ? 34.630 24.424 12.920 1.00 9.31 ? 141 PHE E O 1 ATOM 1021 C CB . PHE A 1 141 ? 32.037 22.423 13.380 1.00 9.87 ? 141 PHE E CB 1 ATOM 1022 C CG . PHE A 1 141 ? 31.440 23.821 13.250 1.00 11.95 ? 141 PHE E CG 1 ATOM 1023 C CD1 . PHE A 1 141 ? 31.139 24.512 14.413 1.00 12.81 ? 141 PHE E CD1 1 ATOM 1024 C CD2 . PHE A 1 141 ? 31.251 24.345 11.936 1.00 11.83 ? 141 PHE E CD2 1 ATOM 1025 C CE1 . PHE A 1 141 ? 30.572 25.808 14.311 1.00 14.06 ? 141 PHE E CE1 1 ATOM 1026 C CE2 . PHE A 1 141 ? 30.732 25.676 11.863 1.00 11.33 ? 141 PHE E CE2 1 ATOM 1027 C CZ . PHE A 1 141 ? 30.403 26.349 13.026 1.00 11.98 ? 141 PHE E CZ 1 ATOM 1028 N N . ASP A 1 142 ? 34.754 23.257 14.878 1.00 7.05 ? 142 ASP E N 1 ATOM 1029 C CA . ASP A 1 142 ? 35.622 24.250 15.527 1.00 8.30 ? 142 ASP E CA 1 ATOM 1030 C C . ASP A 1 142 ? 36.955 24.319 14.841 1.00 10.48 ? 142 ASP E C 1 ATOM 1031 O O . ASP A 1 142 ? 37.622 25.363 14.816 1.00 11.61 ? 142 ASP E O 1 ATOM 1032 C CB . ASP A 1 142 ? 35.792 24.013 17.013 1.00 10.56 ? 142 ASP E CB 1 ATOM 1033 C CG . ASP A 1 142 ? 34.610 24.470 17.779 1.00 16.29 ? 142 ASP E CG 1 ATOM 1034 O OD1 . ASP A 1 142 ? 34.182 24.031 18.847 1.00 20.02 ? 142 ASP E OD1 1 ATOM 1035 O OD2 . ASP A 1 142 ? 33.836 25.313 17.221 1.00 19.34 ? 142 ASP E OD2 1 ATOM 1036 N N . THR A 1 143 ? 37.421 23.183 14.321 1.00 8.77 ? 143 THR E N 1 ATOM 1037 C CA . THR A 1 143 ? 38.725 23.189 13.656 1.00 10.18 ? 143 THR E CA 1 ATOM 1038 C C . THR A 1 143 ? 38.669 24.046 12.397 1.00 11.02 ? 143 THR E C 1 ATOM 1039 O O . THR A 1 143 ? 39.651 24.775 12.177 1.00 12.86 ? 143 THR E O 1 ATOM 1040 C CB . THR A 1 143 ? 39.227 21.712 13.335 1.00 11.77 ? 143 THR E CB 1 ATOM 1041 O OG1 . THR A 1 143 ? 39.393 20.994 14.584 1.00 11.76 ? 143 THR E OG1 1 ATOM 1042 C CG2 . THR A 1 143 ? 40.556 21.699 12.577 1.00 13.74 ? 143 THR E CG2 1 ATOM 1043 N N . VAL A 1 144 ? 37.637 23.950 11.602 1.00 10.39 ? 144 VAL E N 1 ATOM 1044 C CA . VAL A 1 144 ? 37.566 24.682 10.330 1.00 10.68 ? 144 VAL E CA 1 ATOM 1045 C C . VAL A 1 144 ? 36.818 25.992 10.397 1.00 9.88 ? 144 VAL E C 1 ATOM 1046 O O . VAL A 1 144 ? 36.857 26.677 9.383 1.00 11.47 ? 144 VAL E O 1 ATOM 1047 C CB . VAL A 1 144 ? 36.900 23.751 9.277 1.00 10.83 ? 144 VAL E CB 1 ATOM 1048 C CG1 . VAL A 1 144 ? 37.656 22.424 9.128 1.00 13.53 ? 144 VAL E CG1 1 ATOM 1049 C CG2 . VAL A 1 144 ? 35.430 23.508 9.497 1.00 10.34 ? 144 VAL E CG2 1 ATOM 1050 N N . LYS A 1 145 ? 36.125 26.339 11.404 1.00 10.76 ? 145 LYS E N 1 ATOM 1051 C CA . LYS A 1 145 ? 35.220 27.471 11.529 1.00 12.21 ? 145 LYS E CA 1 ATOM 1052 C C . LYS A 1 145 ? 35.798 28.795 10.998 1.00 12.85 ? 145 LYS E C 1 ATOM 1053 O O . LYS A 1 145 ? 35.100 29.570 10.302 1.00 15.32 ? 145 LYS E O 1 ATOM 1054 C CB . LYS A 1 145 ? 34.957 27.545 13.038 1.00 13.87 ? 145 LYS E CB 1 ATOM 1055 C CG . LYS A 1 145 ? 34.203 28.627 13.629 1.00 20.90 ? 145 LYS E CG 1 ATOM 1056 C CD . LYS A 1 145 ? 33.727 28.408 15.054 1.00 21.96 ? 145 LYS E CD 1 ATOM 1057 C CE . LYS A 1 145 ? 34.840 28.719 16.009 1.00 25.48 ? 145 LYS E CE 1 ATOM 1058 N NZ . LYS A 1 145 ? 34.472 28.176 17.336 1.00 30.74 ? 145 LYS E NZ 1 ATOM 1059 N N . SER A 1 146 ? 37.003 29.045 11.360 1.00 13.56 ? 146 SER E N 1 ATOM 1060 C CA . SER A 1 146 ? 37.708 30.289 10.944 1.00 18.04 ? 146 SER E CA 1 ATOM 1061 C C . SER A 1 146 ? 38.019 30.310 9.472 1.00 18.62 ? 146 SER E C 1 ATOM 1062 O O . SER A 1 146 ? 38.209 31.458 8.960 1.00 20.91 ? 146 SER E O 1 ATOM 1063 C CB . SER A 1 146 ? 38.880 30.562 11.857 1.00 17.97 ? 146 SER E CB 1 ATOM 1064 O OG . SER A 1 146 ? 40.035 29.836 11.529 1.00 24.53 ? 146 SER E OG 1 ATOM 1065 N N . SER A 1 147 ? 38.026 29.235 8.749 1.00 15.67 ? 147 SER E N 1 ATOM 1066 C CA . SER A 1 147 ? 38.254 29.201 7.307 1.00 14.20 ? 147 SER E CA 1 ATOM 1067 C C . SER A 1 147 ? 36.943 29.322 6.556 1.00 11.49 ? 147 SER E C 1 ATOM 1068 O O . SER A 1 147 ? 36.993 29.567 5.325 1.00 14.43 ? 147 SER E O 1 ATOM 1069 C CB . SER A 1 147 ? 38.886 27.911 6.844 1.00 17.35 ? 147 SER E CB 1 ATOM 1070 O OG . SER A 1 147 ? 40.050 27.806 7.625 1.00 27.97 ? 147 SER E OG 1 ATOM 1071 N N . LEU A 1 148 ? 35.820 29.102 7.202 1.00 9.78 ? 148 LEU E N 1 ATOM 1072 C CA . LEU A 1 148 ? 34.537 29.161 6.519 1.00 9.48 ? 148 LEU E CA 1 ATOM 1073 C C . LEU A 1 148 ? 34.124 30.619 6.219 1.00 9.80 ? 148 LEU E C 1 ATOM 1074 O O . LEU A 1 148 ? 34.431 31.571 6.949 1.00 11.78 ? 148 LEU E O 1 ATOM 1075 C CB . LEU A 1 148 ? 33.527 28.433 7.407 1.00 8.76 ? 148 LEU E CB 1 ATOM 1076 C CG . LEU A 1 148 ? 33.679 26.969 7.680 1.00 7.43 ? 148 LEU E CG 1 ATOM 1077 C CD1 . LEU A 1 148 ? 32.521 26.470 8.538 1.00 8.40 ? 148 LEU E CD1 1 ATOM 1078 C CD2 . LEU A 1 148 ? 33.680 26.141 6.382 1.00 9.62 ? 148 LEU E CD2 1 ATOM 1079 N N . ALA A 1 149 ? 33.306 30.724 5.191 1.00 11.12 ? 149 ALA E N 1 ATOM 1080 C CA . ALA A 1 149 ? 32.754 32.069 4.819 1.00 12.30 ? 149 ALA E CA 1 ATOM 1081 C C . ALA A 1 149 ? 31.989 32.634 5.996 1.00 14.21 ? 149 ALA E C 1 ATOM 1082 O O . ALA A 1 149 ? 32.073 33.841 6.364 1.00 14.91 ? 149 ALA E O 1 ATOM 1083 C CB . ALA A 1 149 ? 31.909 31.875 3.559 1.00 12.68 ? 149 ALA E CB 1 ATOM 1084 N N . GLN A 1 150 ? 31.113 31.873 6.694 1.00 10.98 ? 150 GLN E N 1 ATOM 1085 C CA . GLN A 1 150 ? 30.402 32.245 7.905 1.00 11.06 ? 150 GLN E CA 1 ATOM 1086 C C . GLN A 1 150 ? 30.655 31.095 8.884 1.00 10.30 ? 150 GLN E C 1 ATOM 1087 O O . GLN A 1 150 ? 30.657 29.974 8.374 1.00 9.03 ? 150 GLN E O 1 ATOM 1088 C CB . GLN A 1 150 ? 28.908 32.403 7.645 1.00 15.44 ? 150 GLN E CB 1 ATOM 1089 C CG . GLN A 1 150 ? 28.779 33.406 6.458 1.00 24.48 ? 150 GLN E CG 1 ATOM 1090 C CD . GLN A 1 150 ? 27.319 33.755 6.299 1.00 30.93 ? 150 GLN E CD 1 ATOM 1091 O OE1 . GLN A 1 150 ? 26.664 33.122 5.461 1.00 35.95 ? 150 GLN E OE1 1 ATOM 1092 N NE2 . GLN A 1 150 ? 26.925 34.677 7.171 1.00 33.39 ? 150 GLN E NE2 1 ATOM 1093 N N . PRO A 1 151 ? 30.779 31.342 10.148 1.00 10.26 ? 151 PRO E N 1 ATOM 1094 C CA . PRO A 1 151 ? 31.057 30.294 11.147 1.00 8.40 ? 151 PRO E CA 1 ATOM 1095 C C . PRO A 1 151 ? 29.790 29.626 11.615 1.00 9.08 ? 151 PRO E C 1 ATOM 1096 O O . PRO A 1 151 ? 29.348 29.762 12.759 1.00 10.01 ? 151 PRO E O 1 ATOM 1097 C CB . PRO A 1 151 ? 31.807 31.076 12.214 1.00 10.98 ? 151 PRO E CB 1 ATOM 1098 C CG . PRO A 1 151 ? 31.053 32.391 12.229 1.00 9.73 ? 151 PRO E CG 1 ATOM 1099 C CD . PRO A 1 151 ? 30.828 32.705 10.738 1.00 9.50 ? 151 PRO E CD 1 ATOM 1100 N N . LEU A 1 152 ? 29.145 28.930 10.734 1.00 6.67 ? 152 LEU E N 1 ATOM 1101 C CA . LEU A 1 152 ? 27.877 28.225 10.932 1.00 7.84 ? 152 LEU E CA 1 ATOM 1102 C C . LEU A 1 152 ? 27.789 26.976 10.032 1.00 7.13 ? 152 LEU E C 1 ATOM 1103 O O . LEU A 1 152 ? 28.534 26.791 9.076 1.00 7.74 ? 152 LEU E O 1 ATOM 1104 C CB . LEU A 1 152 ? 26.739 29.246 10.618 1.00 6.28 ? 152 LEU E CB 1 ATOM 1105 C CG . LEU A 1 152 ? 26.573 29.751 9.166 1.00 7.31 ? 152 LEU E CG 1 ATOM 1106 C CD1 . LEU A 1 152 ? 25.886 28.769 8.243 1.00 7.03 ? 152 LEU E CD1 1 ATOM 1107 C CD2 . LEU A 1 152 ? 25.857 31.099 9.253 1.00 7.99 ? 152 LEU E CD2 1 ATOM 1108 N N . PHE A 1 153 ? 26.812 26.126 10.383 1.00 7.73 ? 153 PHE E N 1 ATOM 1109 C CA . PHE A 1 153 ? 26.445 24.953 9.583 1.00 6.08 ? 153 PHE E CA 1 ATOM 1110 C C . PHE A 1 153 ? 24.906 24.907 9.643 1.00 7.27 ? 153 PHE E C 1 ATOM 1111 O O . PHE A 1 153 ? 24.329 25.499 10.565 1.00 8.49 ? 153 PHE E O 1 ATOM 1112 C CB . PHE A 1 153 ? 27.221 23.709 9.959 1.00 5.94 ? 153 PHE E CB 1 ATOM 1113 C CG . PHE A 1 153 ? 26.891 23.115 11.316 1.00 6.18 ? 153 PHE E CG 1 ATOM 1114 C CD1 . PHE A 1 153 ? 27.628 23.542 12.424 1.00 9.40 ? 153 PHE E CD1 1 ATOM 1115 C CD2 . PHE A 1 153 ? 25.844 22.226 11.443 1.00 6.21 ? 153 PHE E CD2 1 ATOM 1116 C CE1 . PHE A 1 153 ? 27.364 23.034 13.699 1.00 7.71 ? 153 PHE E CE1 1 ATOM 1117 C CE2 . PHE A 1 153 ? 25.561 21.735 12.723 1.00 6.41 ? 153 PHE E CE2 1 ATOM 1118 C CZ . PHE A 1 153 ? 26.321 22.163 13.847 1.00 7.81 ? 153 PHE E CZ 1 ATOM 1119 N N . ALA A 1 154 ? 24.278 24.287 8.691 1.00 7.05 ? 154 ALA E N 1 ATOM 1120 C CA . ALA A 1 154 ? 22.809 24.159 8.630 1.00 9.15 ? 154 ALA E CA 1 ATOM 1121 C C . ALA A 1 154 ? 22.462 22.719 8.228 1.00 7.21 ? 154 ALA E C 1 ATOM 1122 O O . ALA A 1 154 ? 23.255 22.060 7.558 1.00 9.37 ? 154 ALA E O 1 ATOM 1123 C CB . ALA A 1 154 ? 22.239 25.234 7.719 1.00 9.75 ? 154 ALA E CB 1 ATOM 1124 N N . VAL A 1 155 ? 21.269 22.350 8.677 1.00 7.71 ? 155 VAL E N 1 ATOM 1125 C CA . VAL A 1 155 ? 20.855 20.958 8.371 1.00 8.44 ? 155 VAL E CA 1 ATOM 1126 C C . VAL A 1 155 ? 19.429 20.849 7.893 1.00 8.54 ? 155 VAL E C 1 ATOM 1127 O O . VAL A 1 155 ? 18.568 21.515 8.433 1.00 7.18 ? 155 VAL E O 1 ATOM 1128 C CB . VAL A 1 155 ? 21.080 20.061 9.610 1.00 11.56 ? 155 VAL E CB 1 ATOM 1129 C CG1 . VAL A 1 155 ? 20.265 20.465 10.775 1.00 17.93 ? 155 VAL E CG1 1 ATOM 1130 C CG2 . VAL A 1 155 ? 20.752 18.607 9.334 1.00 12.11 ? 155 VAL E CG2 1 ATOM 1131 N N . ALA A 1 156 ? 19.210 20.009 6.924 1.00 6.62 ? 156 ALA E N 1 ATOM 1132 C CA . ALA A 1 156 ? 17.932 19.618 6.425 1.00 5.25 ? 156 ALA E CA 1 ATOM 1133 C C . ALA A 1 156 ? 17.970 18.089 6.433 1.00 7.95 ? 156 ALA E C 1 ATOM 1134 O O . ALA A 1 156 ? 18.595 17.467 5.577 1.00 9.43 ? 156 ALA E O 1 ATOM 1135 C CB . ALA A 1 156 ? 17.700 20.179 5.026 1.00 8.39 ? 156 ALA E CB 1 ATOM 1136 N N . LEU A 1 157 ? 17.280 17.526 7.406 1.00 6.21 ? 157 LEU E N 1 ATOM 1137 C CA . LEU A 1 157 ? 17.082 16.061 7.499 1.00 6.72 ? 157 LEU E CA 1 ATOM 1138 C C . LEU A 1 157 ? 15.682 15.796 6.922 1.00 6.12 ? 157 LEU E C 1 ATOM 1139 O O . LEU A 1 157 ? 14.774 16.562 7.228 1.00 8.14 ? 157 LEU E O 1 ATOM 1140 C CB . LEU A 1 157 ? 17.152 15.567 8.943 1.00 7.79 ? 157 LEU E CB 1 ATOM 1141 C CG . LEU A 1 157 ? 18.388 15.816 9.736 1.00 7.37 ? 157 LEU E CG 1 ATOM 1142 C CD1 . LEU A 1 157 ? 18.245 15.040 11.052 1.00 10.13 ? 157 LEU E CD1 1 ATOM 1143 C CD2 . LEU A 1 157 ? 19.633 15.282 9.081 1.00 10.89 ? 157 LEU E CD2 1 ATOM 1144 N N . LYS A 1 158 ? 15.541 14.757 6.132 1.00 7.71 ? 158 LYS E N 1 ATOM 1145 C CA . LYS A 1 158 ? 14.227 14.502 5.496 1.00 9.02 ? 158 LYS E CA 1 ATOM 1146 C C . LYS A 1 158 ? 13.770 13.108 5.789 1.00 9.71 ? 158 LYS E C 1 ATOM 1147 O O . LYS A 1 158 ? 14.515 12.255 6.234 1.00 8.82 ? 158 LYS E O 1 ATOM 1148 C CB . LYS A 1 158 ? 14.435 14.697 4.026 1.00 8.21 ? 158 LYS E CB 1 ATOM 1149 C CG . LYS A 1 158 ? 14.884 16.117 3.705 1.00 14.88 ? 158 LYS E CG 1 ATOM 1150 C CD . LYS A 1 158 ? 14.773 16.368 2.212 1.00 21.00 ? 158 LYS E CD 1 ATOM 1151 C CE . LYS A 1 158 ? 15.208 17.807 1.956 1.00 26.55 ? 158 LYS E CE 1 ATOM 1152 N NZ . LYS A 1 158 ? 13.950 18.618 2.194 1.00 28.50 ? 158 LYS E NZ 1 ATOM 1153 N N . HIS A 1 159 ? 12.480 12.912 5.514 1.00 8.72 ? 159 HIS E N 1 ATOM 1154 C CA . HIS A 1 159 ? 11.869 11.570 5.653 1.00 8.66 ? 159 HIS E CA 1 ATOM 1155 C C . HIS A 1 159 ? 12.057 10.759 4.380 1.00 9.65 ? 159 HIS E C 1 ATOM 1156 O O . HIS A 1 159 ? 11.547 11.113 3.304 1.00 9.94 ? 159 HIS E O 1 ATOM 1157 C CB . HIS A 1 159 ? 10.340 11.792 5.828 1.00 11.80 ? 159 HIS E CB 1 ATOM 1158 C CG . HIS A 1 159 ? 9.706 10.465 6.057 1.00 12.65 ? 159 HIS E CG 1 ATOM 1159 N ND1 . HIS A 1 159 ? 10.125 9.531 6.918 1.00 16.84 ? 159 HIS E ND1 1 ATOM 1160 C CD2 . HIS A 1 159 ? 8.556 10.010 5.473 1.00 17.75 ? 159 HIS E CD2 1 ATOM 1161 C CE1 . HIS A 1 159 ? 9.282 8.495 6.866 1.00 18.72 ? 159 HIS E CE1 1 ATOM 1162 N NE2 . HIS A 1 159 ? 8.339 8.748 5.969 1.00 17.60 ? 159 HIS E NE2 1 ATOM 1163 N N . GLN A 1 160 ? 12.851 9.721 4.488 1.00 10.83 ? 160 GLN E N 1 ATOM 1164 C CA . GLN A 1 160 ? 13.161 8.798 3.390 1.00 10.42 ? 160 GLN E CA 1 ATOM 1165 C C . GLN A 1 160 ? 13.563 9.484 2.129 1.00 12.11 ? 160 GLN E C 1 ATOM 1166 O O . GLN A 1 160 ? 13.166 9.110 0.999 1.00 12.90 ? 160 GLN E O 1 ATOM 1167 C CB . GLN A 1 160 ? 11.938 7.819 3.278 1.00 16.77 ? 160 GLN E CB 1 ATOM 1168 C CG . GLN A 1 160 ? 11.878 6.963 4.542 1.00 26.81 ? 160 GLN E CG 1 ATOM 1169 C CD . GLN A 1 160 ? 13.089 6.086 4.886 1.00 36.74 ? 160 GLN E CD 1 ATOM 1170 O OE1 . GLN A 1 160 ? 13.039 4.953 4.297 1.00 42.70 ? 160 GLN E OE1 1 ATOM 1171 N NE2 . GLN A 1 160 ? 14.177 6.256 5.650 1.00 33.30 ? 160 GLN E NE2 1 ATOM 1172 N N . GLN A 1 161 ? 14.423 10.482 2.181 1.00 10.87 ? 161 GLN E N 1 ATOM 1173 C CA . GLN A 1 161 ? 14.993 11.181 1.048 1.00 10.67 ? 161 GLN E CA 1 ATOM 1174 C C . GLN A 1 161 ? 16.351 11.719 1.570 1.00 8.10 ? 161 GLN E C 1 ATOM 1175 O O . GLN A 1 161 ? 16.510 11.959 2.780 1.00 9.91 ? 161 GLN E O 1 ATOM 1176 C CB . GLN A 1 161 ? 14.186 12.386 0.615 1.00 15.36 ? 161 GLN E CB 1 ATOM 1177 C CG . GLN A 1 161 ? 12.693 12.230 0.381 1.00 24.04 ? 161 GLN E CG 1 ATOM 1178 C CD . GLN A 1 161 ? 12.095 13.641 0.277 1.00 30.23 ? 161 GLN E CD 1 ATOM 1179 O OE1 . GLN A 1 161 ? 12.480 14.378 -0.615 1.00 32.97 ? 161 GLN E OE1 1 ATOM 1180 N NE2 . GLN A 1 161 ? 11.213 13.981 1.208 1.00 34.85 ? 161 GLN E NE2 1 ATOM 1181 N N . PRO A 1 162 ? 17.276 11.916 0.667 1.00 9.93 ? 162 PRO E N 1 ATOM 1182 C CA . PRO A 1 162 ? 18.591 12.469 1.013 1.00 8.69 ? 162 PRO E CA 1 ATOM 1183 C C . PRO A 1 162 ? 18.354 13.944 1.451 1.00 7.41 ? 162 PRO E C 1 ATOM 1184 O O . PRO A 1 162 ? 17.438 14.632 0.957 1.00 9.52 ? 162 PRO E O 1 ATOM 1185 C CB . PRO A 1 162 ? 19.387 12.453 -0.319 1.00 10.41 ? 162 PRO E CB 1 ATOM 1186 C CG . PRO A 1 162 ? 18.649 11.388 -1.105 1.00 11.67 ? 162 PRO E CG 1 ATOM 1187 C CD . PRO A 1 162 ? 17.204 11.635 -0.804 1.00 10.01 ? 162 PRO E CD 1 ATOM 1188 N N . GLY A 1 163 ? 19.194 14.387 2.351 1.00 6.18 ? 163 GLY E N 1 ATOM 1189 C CA . GLY A 1 163 ? 19.112 15.781 2.861 1.00 2.87 ? 163 GLY E CA 1 ATOM 1190 C C . GLY A 1 163 ? 20.515 16.318 2.831 1.00 5.59 ? 163 GLY E C 1 ATOM 1191 O O . GLY A 1 163 ? 21.439 15.761 2.194 1.00 9.33 ? 163 GLY E O 1 ATOM 1192 N N . VAL A 1 164 ? 20.778 17.421 3.462 1.00 6.61 ? 164 VAL E N 1 ATOM 1193 C CA . VAL A 1 164 ? 22.098 18.018 3.447 1.00 7.61 ? 164 VAL E CA 1 ATOM 1194 C C . VAL A 1 164 ? 22.554 18.588 4.781 1.00 5.92 ? 164 VAL E C 1 ATOM 1195 O O . VAL A 1 164 ? 21.735 18.878 5.624 1.00 8.65 ? 164 VAL E O 1 ATOM 1196 C CB . VAL A 1 164 ? 22.087 19.255 2.463 1.00 10.35 ? 164 VAL E CB 1 ATOM 1197 C CG1 . VAL A 1 164 ? 21.925 18.826 1.011 1.00 12.63 ? 164 VAL E CG1 1 ATOM 1198 C CG2 . VAL A 1 164 ? 21.152 20.375 2.894 1.00 10.04 ? 164 VAL E CG2 1 ATOM 1199 N N . TYR A 1 165 ? 23.827 18.697 4.854 1.00 5.67 ? 165 TYR E N 1 ATOM 1200 C CA . TYR A 1 165 ? 24.579 19.475 5.871 1.00 6.87 ? 165 TYR E CA 1 ATOM 1201 C C . TYR A 1 165 ? 25.265 20.622 5.084 1.00 7.25 ? 165 TYR E C 1 ATOM 1202 O O . TYR A 1 165 ? 26.097 20.261 4.235 1.00 9.52 ? 165 TYR E O 1 ATOM 1203 C CB . TYR A 1 165 ? 25.673 18.702 6.646 1.00 9.43 ? 165 TYR E CB 1 ATOM 1204 C CG . TYR A 1 165 ? 25.005 17.849 7.726 1.00 8.41 ? 165 TYR E CG 1 ATOM 1205 C CD1 . TYR A 1 165 ? 24.634 16.536 7.570 1.00 10.41 ? 165 TYR E CD1 1 ATOM 1206 C CD2 . TYR A 1 165 ? 24.803 18.476 8.967 1.00 11.11 ? 165 TYR E CD2 1 ATOM 1207 C CE1 . TYR A 1 165 ? 24.041 15.790 8.604 1.00 10.86 ? 165 TYR E CE1 1 ATOM 1208 C CE2 . TYR A 1 165 ? 24.185 17.754 10.000 1.00 13.68 ? 165 TYR E CE2 1 ATOM 1209 C CZ . TYR A 1 165 ? 23.783 16.458 9.806 1.00 11.41 ? 165 TYR E CZ 1 ATOM 1210 O OH . TYR A 1 165 ? 23.187 15.826 10.880 1.00 12.73 ? 165 TYR E OH 1 ATOM 1211 N N . ASP A 1 166 ? 24.920 21.835 5.336 1.00 5.69 ? 166 ASP E N 1 ATOM 1212 C CA . ASP A 1 166 ? 25.573 22.944 4.621 1.00 6.26 ? 166 ASP E CA 1 ATOM 1213 C C . ASP A 1 166 ? 26.646 23.449 5.549 1.00 8.81 ? 166 ASP E C 1 ATOM 1214 O O . ASP A 1 166 ? 26.249 23.815 6.678 1.00 10.37 ? 166 ASP E O 1 ATOM 1215 C CB . ASP A 1 166 ? 24.606 24.060 4.296 1.00 7.61 ? 166 ASP E CB 1 ATOM 1216 C CG . ASP A 1 166 ? 23.587 23.695 3.255 1.00 7.43 ? 166 ASP E CG 1 ATOM 1217 O OD1 . ASP A 1 166 ? 22.444 24.075 3.373 1.00 11.43 ? 166 ASP E OD1 1 ATOM 1218 O OD2 . ASP A 1 166 ? 23.922 23.045 2.255 1.00 10.06 ? 166 ASP E OD2 1 ATOM 1219 N N . PHE A 1 167 ? 27.881 23.549 5.119 1.00 8.66 ? 167 PHE E N 1 ATOM 1220 C CA . PHE A 1 167 ? 28.879 24.146 6.035 1.00 7.07 ? 167 PHE E CA 1 ATOM 1221 C C . PHE A 1 167 ? 29.272 25.540 5.548 1.00 8.94 ? 167 PHE E C 1 ATOM 1222 O O . PHE A 1 167 ? 29.700 25.625 4.358 1.00 9.41 ? 167 PHE E O 1 ATOM 1223 C CB . PHE A 1 167 ? 30.116 23.236 6.103 1.00 7.93 ? 167 PHE E CB 1 ATOM 1224 C CG . PHE A 1 167 ? 29.872 22.051 7.045 1.00 7.71 ? 167 PHE E CG 1 ATOM 1225 C CD1 . PHE A 1 167 ? 29.339 20.857 6.559 1.00 11.90 ? 167 PHE E CD1 1 ATOM 1226 C CD2 . PHE A 1 167 ? 30.200 22.173 8.378 1.00 11.02 ? 167 PHE E CD2 1 ATOM 1227 C CE1 . PHE A 1 167 ? 29.090 19.782 7.386 1.00 11.08 ? 167 PHE E CE1 1 ATOM 1228 C CE2 . PHE A 1 167 ? 29.941 21.083 9.257 1.00 14.46 ? 167 PHE E CE2 1 ATOM 1229 C CZ . PHE A 1 167 ? 29.354 19.896 8.748 1.00 11.85 ? 167 PHE E CZ 1 ATOM 1230 N N . GLY A 1 168 ? 29.235 26.544 6.373 1.00 8.50 ? 168 GLY E N 1 ATOM 1231 C CA . GLY A 1 168 ? 29.734 27.879 6.058 1.00 9.54 ? 168 GLY E CA 1 ATOM 1232 C C . GLY A 1 168 ? 28.791 28.764 5.245 1.00 10.11 ? 168 GLY E C 1 ATOM 1233 O O . GLY A 1 168 ? 29.302 29.828 4.834 1.00 13.22 ? 168 GLY E O 1 ATOM 1234 N N . PHE A 1 169 ? 27.597 28.344 4.959 1.00 8.70 ? 169 PHE E N 1 ATOM 1235 C CA . PHE A 1 169 ? 26.662 29.202 4.188 1.00 8.80 ? 169 PHE E CA 1 ATOM 1236 C C . PHE A 1 169 ? 25.266 28.623 4.449 1.00 6.92 ? 169 PHE E C 1 ATOM 1237 O O . PHE A 1 169 ? 25.073 27.480 4.876 1.00 8.75 ? 169 PHE E O 1 ATOM 1238 C CB . PHE A 1 169 ? 27.033 29.248 2.689 1.00 8.83 ? 169 PHE E CB 1 ATOM 1239 C CG . PHE A 1 169 ? 26.539 28.041 1.945 1.00 11.30 ? 169 PHE E CG 1 ATOM 1240 C CD1 . PHE A 1 169 ? 27.157 26.796 2.159 1.00 11.03 ? 169 PHE E CD1 1 ATOM 1241 C CD2 . PHE A 1 169 ? 25.474 28.098 1.052 1.00 13.17 ? 169 PHE E CD2 1 ATOM 1242 C CE1 . PHE A 1 169 ? 26.742 25.667 1.511 1.00 11.74 ? 169 PHE E CE1 1 ATOM 1243 C CE2 . PHE A 1 169 ? 25.011 26.953 0.408 1.00 14.06 ? 169 PHE E CE2 1 ATOM 1244 C CZ . PHE A 1 169 ? 25.657 25.714 0.660 1.00 13.18 ? 169 PHE E CZ 1 ATOM 1245 N N . ILE A 1 170 ? 24.279 29.469 4.137 1.00 7.90 ? 170 ILE E N 1 ATOM 1246 C CA . ILE A 1 170 ? 22.862 29.141 4.286 1.00 7.38 ? 170 ILE E CA 1 ATOM 1247 C C . ILE A 1 170 ? 22.243 28.999 2.905 1.00 9.76 ? 170 ILE E C 1 ATOM 1248 O O . ILE A 1 170 ? 22.476 29.899 2.054 1.00 10.93 ? 170 ILE E O 1 ATOM 1249 C CB . ILE A 1 170 ? 22.096 30.238 5.104 1.00 10.36 ? 170 ILE E CB 1 ATOM 1250 C CG1 . ILE A 1 170 ? 22.598 30.215 6.550 1.00 11.35 ? 170 ILE E CG1 1 ATOM 1251 C CG2 . ILE A 1 170 ? 20.559 30.068 5.126 1.00 10.68 ? 170 ILE E CG2 1 ATOM 1252 C CD1 . ILE A 1 170 ? 22.339 31.452 7.381 1.00 13.70 ? 170 ILE E CD1 1 ATOM 1253 N N . ASP A 1 171 ? 21.534 27.937 2.683 1.00 8.64 ? 171 ASP E N 1 ATOM 1254 C CA . ASP A 1 171 ? 20.892 27.680 1.384 1.00 8.94 ? 171 ASP E CA 1 ATOM 1255 C C . ASP A 1 171 ? 19.408 28.054 1.569 1.00 9.62 ? 171 ASP E C 1 ATOM 1256 O O . ASP A 1 171 ? 18.643 27.285 2.151 1.00 9.42 ? 171 ASP E O 1 ATOM 1257 C CB . ASP A 1 171 ? 21.185 26.297 0.904 1.00 9.36 ? 171 ASP E CB 1 ATOM 1258 C CG . ASP A 1 171 ? 20.531 25.934 -0.399 1.00 11.15 ? 171 ASP E CG 1 ATOM 1259 O OD1 . ASP A 1 171 ? 20.680 24.806 -0.856 1.00 11.60 ? 171 ASP E OD1 1 ATOM 1260 O OD2 . ASP A 1 171 ? 19.754 26.790 -0.943 1.00 11.15 ? 171 ASP E OD2 1 ATOM 1261 N N . SER A 1 172 ? 19.081 29.295 1.082 1.00 10.26 ? 172 SER E N 1 ATOM 1262 C CA . SER A 1 172 ? 17.734 29.839 1.200 1.00 9.62 ? 172 SER E CA 1 ATOM 1263 C C . SER A 1 172 ? 16.699 29.066 0.453 1.00 10.20 ? 172 SER E C 1 ATOM 1264 O O . SER A 1 172 ? 15.477 29.253 0.689 1.00 11.46 ? 172 SER E O 1 ATOM 1265 C CB . SER A 1 172 ? 17.728 31.314 0.694 1.00 12.88 ? 172 SER E CB 1 ATOM 1266 O OG . SER A 1 172 ? 18.345 31.918 1.862 1.00 19.88 ? 172 SER E OG 1 ATOM 1267 N N . SER A 1 173 ? 17.095 28.242 -0.483 1.00 10.08 ? 173 SER E N 1 ATOM 1268 C CA . SER A 1 173 ? 16.129 27.410 -1.249 1.00 10.63 ? 173 SER E CA 1 ATOM 1269 C C . SER A 1 173 ? 15.625 26.216 -0.430 1.00 10.93 ? 173 SER E C 1 ATOM 1270 O O . SER A 1 173 ? 14.669 25.524 -0.850 1.00 13.28 ? 173 SER E O 1 ATOM 1271 C CB . SER A 1 173 ? 16.686 27.039 -2.593 1.00 10.96 ? 173 SER E CB 1 ATOM 1272 O OG . SER A 1 173 ? 17.600 25.961 -2.417 1.00 12.32 ? 173 SER E OG 1 ATOM 1273 N N . LYS A 1 174 ? 16.219 25.981 0.756 1.00 8.92 ? 174 LYS E N 1 ATOM 1274 C CA . LYS A 1 174 ? 15.855 24.847 1.598 1.00 8.53 ? 174 LYS E CA 1 ATOM 1275 C C . LYS A 1 174 ? 14.726 25.069 2.597 1.00 8.13 ? 174 LYS E C 1 ATOM 1276 O O . LYS A 1 174 ? 14.215 24.125 3.193 1.00 10.15 ? 174 LYS E O 1 ATOM 1277 C CB . LYS A 1 174 ? 17.098 24.381 2.340 1.00 9.88 ? 174 LYS E CB 1 ATOM 1278 C CG . LYS A 1 174 ? 18.122 23.811 1.374 1.00 10.71 ? 174 LYS E CG 1 ATOM 1279 C CD . LYS A 1 174 ? 17.620 22.452 0.952 1.00 15.99 ? 174 LYS E CD 1 ATOM 1280 C CE . LYS A 1 174 ? 18.640 21.739 0.111 1.00 19.52 ? 174 LYS E CE 1 ATOM 1281 N NZ . LYS A 1 174 ? 18.710 22.405 -1.190 1.00 24.40 ? 174 LYS E NZ 1 ATOM 1282 N N . TYR A 1 175 ? 14.259 26.329 2.724 1.00 8.18 ? 175 TYR E N 1 ATOM 1283 C CA . TYR A 1 175 ? 13.179 26.651 3.634 1.00 7.92 ? 175 TYR E CA 1 ATOM 1284 C C . TYR A 1 175 ? 12.265 27.686 2.970 1.00 10.50 ? 175 TYR E C 1 ATOM 1285 O O . TYR A 1 175 ? 12.602 28.336 1.978 1.00 11.74 ? 175 TYR E O 1 ATOM 1286 C CB . TYR A 1 175 ? 13.749 27.142 4.944 1.00 6.16 ? 175 TYR E CB 1 ATOM 1287 C CG . TYR A 1 175 ? 14.654 28.328 4.910 1.00 9.00 ? 175 TYR E CG 1 ATOM 1288 C CD1 . TYR A 1 175 ? 16.020 28.184 4.700 1.00 9.99 ? 175 TYR E CD1 1 ATOM 1289 C CD2 . TYR A 1 175 ? 14.178 29.622 4.962 1.00 7.20 ? 175 TYR E CD2 1 ATOM 1290 C CE1 . TYR A 1 175 ? 16.863 29.281 4.668 1.00 10.13 ? 175 TYR E CE1 1 ATOM 1291 C CE2 . TYR A 1 175 ? 14.980 30.756 4.899 1.00 10.42 ? 175 TYR E CE2 1 ATOM 1292 C CZ . TYR A 1 175 ? 16.356 30.563 4.758 1.00 12.30 ? 175 TYR E CZ 1 ATOM 1293 O OH . TYR A 1 175 ? 17.194 31.648 4.696 1.00 14.64 ? 175 TYR E OH 1 ATOM 1294 N N . THR A 1 176 ? 11.101 27.816 3.593 1.00 10.77 ? 176 THR E N 1 ATOM 1295 C CA . THR A 1 176 ? 10.117 28.782 3.129 1.00 9.71 ? 176 THR E CA 1 ATOM 1296 C C . THR A 1 176 ? 10.183 29.973 4.024 1.00 11.28 ? 176 THR E C 1 ATOM 1297 O O . THR A 1 176 ? 10.303 29.849 5.263 1.00 11.73 ? 176 THR E O 1 ATOM 1298 C CB . THR A 1 176 ? 8.714 28.061 3.447 1.00 15.40 ? 176 THR E CB 1 ATOM 1299 O OG1 . THR A 1 176 ? 8.617 26.959 2.539 1.00 20.17 ? 176 THR E OG1 1 ATOM 1300 C CG2 . THR A 1 176 ? 7.623 29.112 3.323 1.00 18.79 ? 176 THR E CG2 1 ATOM 1301 N N . GLY A 1 177 ? 10.027 31.177 3.499 1.00 12.85 ? 177 GLY E N 1 ATOM 1302 C CA . GLY A 1 177 ? 9.956 32.374 4.362 1.00 13.92 ? 177 GLY E CA 1 ATOM 1303 C C . GLY A 1 177 ? 11.323 32.787 4.852 1.00 13.67 ? 177 GLY E C 1 ATOM 1304 O O . GLY A 1 177 ? 12.308 32.486 4.190 1.00 17.64 ? 177 GLY E O 1 ATOM 1305 N N . SER A 1 178 ? 11.381 33.378 6.009 1.00 14.19 ? 178 SER E N 1 ATOM 1306 C CA . SER A 1 178 ? 12.629 33.836 6.627 1.00 14.75 ? 178 SER E CA 1 ATOM 1307 C C . SER A 1 178 ? 13.002 33.026 7.886 1.00 12.90 ? 178 SER E C 1 ATOM 1308 O O . SER A 1 178 ? 12.070 32.496 8.511 1.00 13.74 ? 178 SER E O 1 ATOM 1309 C CB . SER A 1 178 ? 12.301 35.286 7.148 1.00 20.21 ? 178 SER E CB 1 ATOM 1310 O OG . SER A 1 178 ? 12.516 36.122 6.037 1.00 26.51 ? 178 SER E OG 1 ATOM 1311 N N . LEU A 1 179 ? 14.289 33.040 8.233 1.00 12.54 ? 179 LEU E N 1 ATOM 1312 C CA . LEU A 1 179 ? 14.647 32.343 9.493 1.00 10.24 ? 179 LEU E CA 1 ATOM 1313 C C . LEU A 1 179 ? 14.281 33.183 10.718 1.00 12.21 ? 179 LEU E C 1 ATOM 1314 O O . LEU A 1 179 ? 14.284 34.431 10.712 1.00 12.89 ? 179 LEU E O 1 ATOM 1315 C CB . LEU A 1 179 ? 16.127 32.075 9.459 1.00 8.12 ? 179 LEU E CB 1 ATOM 1316 C CG . LEU A 1 179 ? 16.641 31.100 8.441 1.00 9.10 ? 179 LEU E CG 1 ATOM 1317 C CD1 . LEU A 1 179 ? 18.129 31.313 8.328 1.00 10.52 ? 179 LEU E CD1 1 ATOM 1318 C CD2 . LEU A 1 179 ? 16.319 29.696 8.863 1.00 12.85 ? 179 LEU E CD2 1 ATOM 1319 N N . THR A 1 180 ? 13.997 32.463 11.793 1.00 9.61 ? 180 THR E N 1 ATOM 1320 C CA . THR A 1 180 ? 13.789 33.132 13.089 1.00 10.79 ? 180 THR E CA 1 ATOM 1321 C C . THR A 1 180 ? 14.923 32.641 13.982 1.00 9.99 ? 180 THR E C 1 ATOM 1322 O O . THR A 1 180 ? 15.075 31.426 14.019 1.00 12.27 ? 180 THR E O 1 ATOM 1323 C CB . THR A 1 180 ? 12.412 32.792 13.734 1.00 10.14 ? 180 THR E CB 1 ATOM 1324 O OG1 . THR A 1 180 ? 11.423 33.258 12.742 1.00 14.52 ? 180 THR E OG1 1 ATOM 1325 C CG2 . THR A 1 180 ? 12.286 33.448 15.111 1.00 12.83 ? 180 THR E CG2 1 ATOM 1326 N N . TYR A 1 181 ? 15.603 33.496 14.666 1.00 11.37 ? 181 TYR E N 1 ATOM 1327 C CA . TYR A 1 181 ? 16.720 33.077 15.528 1.00 10.16 ? 181 TYR E CA 1 ATOM 1328 C C . TYR A 1 181 ? 16.370 33.139 16.992 1.00 9.91 ? 181 TYR E C 1 ATOM 1329 O O . TYR A 1 181 ? 15.587 33.966 17.434 1.00 11.16 ? 181 TYR E O 1 ATOM 1330 C CB . TYR A 1 181 ? 17.953 33.945 15.226 1.00 9.21 ? 181 TYR E CB 1 ATOM 1331 C CG . TYR A 1 181 ? 18.606 33.602 13.902 1.00 10.47 ? 181 TYR E CG 1 ATOM 1332 C CD1 . TYR A 1 181 ? 18.190 34.245 12.737 1.00 12.18 ? 181 TYR E CD1 1 ATOM 1333 C CD2 . TYR A 1 181 ? 19.657 32.705 13.830 1.00 11.30 ? 181 TYR E CD2 1 ATOM 1334 C CE1 . TYR A 1 181 ? 18.781 33.978 11.517 1.00 12.45 ? 181 TYR E CE1 1 ATOM 1335 C CE2 . TYR A 1 181 ? 20.300 32.453 12.589 1.00 11.26 ? 181 TYR E CE2 1 ATOM 1336 C CZ . TYR A 1 181 ? 19.822 33.104 11.457 1.00 12.49 ? 181 TYR E CZ 1 ATOM 1337 O OH . TYR A 1 181 ? 20.445 32.844 10.258 1.00 15.65 ? 181 TYR E OH 1 ATOM 1338 N N . THR A 1 182 ? 16.999 32.278 17.785 1.00 6.88 ? 182 THR E N 1 ATOM 1339 C CA . THR A 1 182 ? 16.824 32.192 19.218 1.00 9.11 ? 182 THR E CA 1 ATOM 1340 C C . THR A 1 182 ? 18.197 32.008 19.842 1.00 11.18 ? 182 THR E C 1 ATOM 1341 O O . THR A 1 182 ? 19.086 31.475 19.173 1.00 11.03 ? 182 THR E O 1 ATOM 1342 C CB . THR A 1 182 ? 15.768 31.068 19.574 1.00 7.98 ? 182 THR E CB 1 ATOM 1343 O OG1 . THR A 1 182 ? 15.320 31.528 20.877 1.00 12.58 ? 182 THR E OG1 1 ATOM 1344 C CG2 . THR A 1 182 ? 16.371 29.692 19.525 1.00 7.33 ? 182 THR E CG2 1 ATOM 1345 N N . GLY A 1 183 ? 18.416 32.522 21.071 1.00 11.25 ? 183 GLY E N 1 ATOM 1346 C CA . GLY A 1 183 ? 19.738 32.397 21.695 1.00 9.27 ? 183 GLY E CA 1 ATOM 1347 C C . GLY A 1 183 ? 20.001 30.982 22.214 1.00 7.72 ? 183 GLY E C 1 ATOM 1348 O O . GLY A 1 183 ? 19.057 30.255 22.561 1.00 10.68 ? 183 GLY E O 1 ATOM 1349 N N . VAL A 1 184 ? 21.236 30.615 22.163 1.00 6.68 ? 184 VAL E N 1 ATOM 1350 C CA . VAL A 1 184 ? 21.731 29.309 22.608 1.00 7.37 ? 184 VAL E CA 1 ATOM 1351 C C . VAL A 1 184 ? 22.496 29.430 23.891 1.00 9.31 ? 184 VAL E C 1 ATOM 1352 O O . VAL A 1 184 ? 23.316 30.343 24.064 1.00 10.21 ? 184 VAL E O 1 ATOM 1353 C CB . VAL A 1 184 ? 22.641 28.607 21.501 1.00 8.63 ? 184 VAL E CB 1 ATOM 1354 C CG1 . VAL A 1 184 ? 23.436 27.441 22.039 1.00 6.76 ? 184 VAL E CG1 1 ATOM 1355 C CG2 . VAL A 1 184 ? 21.686 28.257 20.374 1.00 8.31 ? 184 VAL E CG2 1 ATOM 1356 N N . ASP A 1 185 ? 22.227 28.487 24.781 1.00 8.85 ? 185 ASP E N 1 ATOM 1357 C CA . ASP A 1 185 ? 22.942 28.407 26.065 1.00 9.06 ? 185 ASP E CA 1 ATOM 1358 C C . ASP A 1 185 ? 23.929 27.245 25.872 1.00 8.17 ? 185 ASP E C 1 ATOM 1359 O O . ASP A 1 185 ? 23.433 26.101 25.800 1.00 9.02 ? 185 ASP E O 1 ATOM 1360 C CB . ASP A 1 185 ? 21.901 28.210 27.184 1.00 11.06 ? 185 ASP E CB 1 ATOM 1361 C CG . ASP A 1 185 ? 22.591 27.902 28.497 1.00 17.90 ? 185 ASP E CG 1 ATOM 1362 O OD1 . ASP A 1 185 ? 21.929 27.551 29.478 1.00 23.94 ? 185 ASP E OD1 1 ATOM 1363 O OD2 . ASP A 1 185 ? 23.817 27.986 28.642 1.00 13.10 ? 185 ASP E OD2 1 ATOM 1364 N N . ASN A 1 186 ? 25.204 27.523 25.744 1.00 7.60 ? 186 ASN E N 1 ATOM 1365 C CA . ASN A 1 186 ? 26.167 26.429 25.521 1.00 8.92 ? 186 ASN E CA 1 ATOM 1366 C C . ASN A 1 186 ? 26.904 26.008 26.797 1.00 8.56 ? 186 ASN E C 1 ATOM 1367 O O . ASN A 1 186 ? 27.951 25.392 26.631 1.00 9.62 ? 186 ASN E O 1 ATOM 1368 C CB . ASN A 1 186 ? 27.176 26.761 24.436 1.00 10.77 ? 186 ASN E CB 1 ATOM 1369 C CG . ASN A 1 186 ? 27.997 27.994 24.671 1.00 15.90 ? 186 ASN E CG 1 ATOM 1370 O OD1 . ASN A 1 186 ? 27.916 28.584 25.761 1.00 15.20 ? 186 ASN E OD1 1 ATOM 1371 N ND2 . ASN A 1 186 ? 28.839 28.397 23.683 1.00 17.86 ? 186 ASN E ND2 1 ATOM 1372 N N . SER A 1 187 ? 26.371 26.385 27.940 1.00 9.88 ? 187 SER E N 1 ATOM 1373 C CA . SER A 1 187 ? 27.095 26.064 29.184 1.00 12.28 ? 187 SER E CA 1 ATOM 1374 C C . SER A 1 187 ? 27.234 24.575 29.465 1.00 13.86 ? 187 SER E C 1 ATOM 1375 O O . SER A 1 187 ? 28.148 24.275 30.270 1.00 15.66 ? 187 SER E O 1 ATOM 1376 C CB . SER A 1 187 ? 26.385 26.773 30.320 1.00 13.45 ? 187 SER E CB 1 ATOM 1377 O OG . SER A 1 187 ? 25.081 26.229 30.536 1.00 20.62 ? 187 SER E OG 1 ATOM 1378 N N . GLN A 1 188 ? 26.480 23.674 28.916 1.00 9.81 ? 188 GLN E N 1 ATOM 1379 C CA . GLN A 1 188 ? 26.653 22.226 29.126 1.00 10.34 ? 188 GLN E CA 1 ATOM 1380 C C . GLN A 1 188 ? 27.133 21.624 27.840 1.00 8.80 ? 188 GLN E C 1 ATOM 1381 O O . GLN A 1 188 ? 27.063 20.422 27.679 1.00 11.10 ? 188 GLN E O 1 ATOM 1382 C CB . GLN A 1 188 ? 25.307 21.608 29.609 1.00 10.73 ? 188 GLN E CB 1 ATOM 1383 C CG . GLN A 1 188 ? 25.214 21.868 31.141 1.00 14.17 ? 188 GLN E CG 1 ATOM 1384 C CD . GLN A 1 188 ? 26.189 21.200 32.029 1.00 17.75 ? 188 GLN E CD 1 ATOM 1385 O OE1 . GLN A 1 188 ? 26.501 21.665 33.146 1.00 23.96 ? 188 GLN E OE1 1 ATOM 1386 N NE2 . GLN A 1 188 ? 26.904 20.123 31.654 1.00 15.69 ? 188 GLN E NE2 1 ATOM 1387 N N . GLY A 1 189 ? 27.569 22.474 26.905 1.00 9.28 ? 189 GLY E N 1 ATOM 1388 C CA . GLY A 1 189 ? 28.164 22.011 25.618 1.00 7.32 ? 189 GLY E CA 1 ATOM 1389 C C . GLY A 1 189 ? 27.130 21.661 24.585 1.00 5.93 ? 189 GLY E C 1 ATOM 1390 O O . GLY A 1 189 ? 27.585 21.258 23.493 1.00 8.41 ? 189 GLY E O 1 ATOM 1391 N N . PHE A 1 190 ? 25.874 21.909 24.809 1.00 7.03 ? 190 PHE E N 1 ATOM 1392 C CA . PHE A 1 190 ? 24.850 21.531 23.800 1.00 5.42 ? 190 PHE E CA 1 ATOM 1393 C C . PHE A 1 190 ? 24.348 22.776 23.070 1.00 8.39 ? 190 PHE E C 1 ATOM 1394 O O . PHE A 1 190 ? 24.501 23.889 23.551 1.00 9.30 ? 190 PHE E O 1 ATOM 1395 C CB . PHE A 1 190 ? 23.637 20.882 24.511 1.00 5.42 ? 190 PHE E CB 1 ATOM 1396 C CG . PHE A 1 190 ? 23.925 19.533 25.196 1.00 6.39 ? 190 PHE E CG 1 ATOM 1397 C CD1 . PHE A 1 190 ? 24.519 18.484 24.515 1.00 6.64 ? 190 PHE E CD1 1 ATOM 1398 C CD2 . PHE A 1 190 ? 23.691 19.465 26.581 1.00 6.48 ? 190 PHE E CD2 1 ATOM 1399 C CE1 . PHE A 1 190 ? 24.804 17.300 25.167 1.00 8.97 ? 190 PHE E CE1 1 ATOM 1400 C CE2 . PHE A 1 190 ? 23.941 18.228 27.226 1.00 6.75 ? 190 PHE E CE2 1 ATOM 1401 C CZ . PHE A 1 190 ? 24.489 17.166 26.510 1.00 7.45 ? 190 PHE E CZ 1 ATOM 1402 N N . TRP A 1 191 ? 23.615 22.532 21.985 1.00 5.75 ? 191 TRP E N 1 ATOM 1403 C CA . TRP A 1 191 ? 22.904 23.599 21.267 1.00 6.25 ? 191 TRP E CA 1 ATOM 1404 C C . TRP A 1 191 ? 21.552 23.638 22.016 1.00 7.16 ? 191 TRP E C 1 ATOM 1405 O O . TRP A 1 191 ? 20.524 23.142 21.495 1.00 7.24 ? 191 TRP E O 1 ATOM 1406 C CB . TRP A 1 191 ? 22.765 23.266 19.769 1.00 6.58 ? 191 TRP E CB 1 ATOM 1407 C CG . TRP A 1 191 ? 24.119 23.343 19.058 1.00 6.18 ? 191 TRP E CG 1 ATOM 1408 C CD1 . TRP A 1 191 ? 25.010 22.315 18.844 1.00 6.23 ? 191 TRP E CD1 1 ATOM 1409 C CD2 . TRP A 1 191 ? 24.702 24.491 18.490 1.00 5.77 ? 191 TRP E CD2 1 ATOM 1410 N NE1 . TRP A 1 191 ? 26.077 22.775 18.166 1.00 6.23 ? 191 TRP E NE1 1 ATOM 1411 C CE2 . TRP A 1 191 ? 25.922 24.119 17.944 1.00 6.56 ? 191 TRP E CE2 1 ATOM 1412 C CE3 . TRP A 1 191 ? 24.278 25.837 18.320 1.00 8.17 ? 191 TRP E CE3 1 ATOM 1413 C CZ2 . TRP A 1 191 ? 26.759 25.013 17.228 1.00 9.04 ? 191 TRP E CZ2 1 ATOM 1414 C CZ3 . TRP A 1 191 ? 25.095 26.729 17.662 1.00 8.99 ? 191 TRP E CZ3 1 ATOM 1415 C CH2 . TRP A 1 191 ? 26.319 26.313 17.130 1.00 9.10 ? 191 TRP E CH2 1 ATOM 1416 N N . SER A 1 192 ? 21.539 24.255 23.177 1.00 5.59 ? 192 SER E N 1 ATOM 1417 C CA . SER A 1 192 ? 20.321 24.359 23.989 1.00 7.18 ? 192 SER E CA 1 ATOM 1418 C C . SER A 1 192 ? 19.539 25.641 23.785 1.00 6.59 ? 192 SER E C 1 ATOM 1419 O O . SER A 1 192 ? 20.145 26.682 23.709 1.00 8.59 ? 192 SER E O 1 ATOM 1420 C CB . SER A 1 192 ? 20.806 24.233 25.438 1.00 8.24 ? 192 SER E CB 1 ATOM 1421 O OG . SER A 1 192 ? 19.705 24.236 26.346 1.00 12.34 ? 192 SER E OG 1 ATOM 1422 N N . PHE A 1 193 ? 18.218 25.547 23.755 1.00 6.70 ? 193 PHE E N 1 ATOM 1423 C CA . PHE A 1 193 ? 17.379 26.726 23.561 1.00 5.41 ? 193 PHE E CA 1 ATOM 1424 C C . PHE A 1 193 ? 16.088 26.565 24.398 1.00 8.53 ? 193 PHE E C 1 ATOM 1425 O O . PHE A 1 193 ? 15.799 25.475 24.825 1.00 8.65 ? 193 PHE E O 1 ATOM 1426 C CB . PHE A 1 193 ? 16.984 26.910 22.069 1.00 6.81 ? 193 PHE E CB 1 ATOM 1427 C CG . PHE A 1 193 ? 16.247 25.783 21.398 1.00 6.85 ? 193 PHE E CG 1 ATOM 1428 C CD1 . PHE A 1 193 ? 16.909 24.596 20.970 1.00 6.63 ? 193 PHE E CD1 1 ATOM 1429 C CD2 . PHE A 1 193 ? 14.856 25.878 21.223 1.00 9.88 ? 193 PHE E CD2 1 ATOM 1430 C CE1 . PHE A 1 193 ? 16.197 23.574 20.404 1.00 6.62 ? 193 PHE E CE1 1 ATOM 1431 C CE2 . PHE A 1 193 ? 14.133 24.801 20.652 1.00 10.20 ? 193 PHE E CE2 1 ATOM 1432 C CZ . PHE A 1 193 ? 14.865 23.633 20.284 1.00 9.42 ? 193 PHE E CZ 1 ATOM 1433 N N . ASN A 1 194 ? 15.380 27.678 24.447 1.00 9.33 ? 194 ASN E N 1 ATOM 1434 C CA . ASN A 1 194 ? 14.095 27.689 25.149 1.00 9.72 ? 194 ASN E CA 1 ATOM 1435 C C . ASN A 1 194 ? 12.906 27.756 24.247 1.00 9.98 ? 194 ASN E C 1 ATOM 1436 O O . ASN A 1 194 ? 13.004 28.507 23.276 1.00 10.30 ? 194 ASN E O 1 ATOM 1437 C CB . ASN A 1 194 ? 14.164 28.947 26.054 1.00 15.81 ? 194 ASN E CB 1 ATOM 1438 C CG . ASN A 1 194 ? 14.728 28.471 27.380 1.00 23.57 ? 194 ASN E CG 1 ATOM 1439 O OD1 . ASN A 1 194 ? 13.931 28.511 28.374 1.00 33.61 ? 194 ASN E OD1 1 ATOM 1440 N ND2 . ASN A 1 194 ? 15.920 27.953 27.468 1.00 20.30 ? 194 ASN E ND2 1 ATOM 1441 N N . VAL A 1 195 ? 11.811 27.108 24.683 1.00 8.51 ? 195 VAL E N 1 ATOM 1442 C CA . VAL A 1 195 ? 10.543 27.258 23.964 1.00 11.48 ? 195 VAL E CA 1 ATOM 1443 C C . VAL A 1 195 ? 9.636 27.967 25.016 1.00 11.48 ? 195 VAL E C 1 ATOM 1444 O O . VAL A 1 195 ? 9.714 27.683 26.223 1.00 12.87 ? 195 VAL E O 1 ATOM 1445 C CB . VAL A 1 195 ? 9.914 25.991 23.346 1.00 16.38 ? 195 VAL E CB 1 ATOM 1446 C CG1 . VAL A 1 195 ? 10.932 25.223 22.463 1.00 11.39 ? 195 VAL E CG1 1 ATOM 1447 C CG2 . VAL A 1 195 ? 9.272 25.112 24.378 1.00 15.76 ? 195 VAL E CG2 1 ATOM 1448 N N . ASP A 1 196 ? 8.822 28.811 24.510 1.00 9.74 ? 196 ASP E N 1 ATOM 1449 C CA . ASP A 1 196 ? 7.917 29.604 25.398 1.00 11.89 ? 196 ASP E CA 1 ATOM 1450 C C . ASP A 1 196 ? 6.649 28.867 25.730 1.00 12.82 ? 196 ASP E C 1 ATOM 1451 O O . ASP A 1 196 ? 6.042 29.127 26.797 1.00 13.64 ? 196 ASP E O 1 ATOM 1452 C CB . ASP A 1 196 ? 7.672 30.940 24.708 1.00 12.83 ? 196 ASP E CB 1 ATOM 1453 C CG . ASP A 1 196 ? 8.850 31.912 24.865 1.00 17.73 ? 196 ASP E CG 1 ATOM 1454 O OD1 . ASP A 1 196 ? 9.046 32.550 23.838 1.00 21.15 ? 196 ASP E OD1 1 ATOM 1455 O OD2 . ASP A 1 196 ? 9.423 31.969 25.976 1.00 19.89 ? 196 ASP E OD2 1 ATOM 1456 N N . SER A 1 197 ? 6.225 28.009 24.821 1.00 11.57 ? 197 SER E N 1 ATOM 1457 C CA . SER A 1 197 ? 4.980 27.249 25.007 1.00 10.00 ? 197 SER E CA 1 ATOM 1458 C C . SER A 1 197 ? 4.969 26.055 24.023 1.00 9.94 ? 197 SER E C 1 ATOM 1459 O O . SER A 1 197 ? 5.822 26.081 23.142 1.00 9.00 ? 197 SER E O 1 ATOM 1460 C CB . SER A 1 197 ? 3.788 28.151 24.797 1.00 10.11 ? 197 SER E CB 1 ATOM 1461 O OG . SER A 1 197 ? 3.598 28.503 23.460 1.00 19.70 ? 197 SER E OG 1 ATOM 1462 N N . TYR A 1 198 ? 4.010 25.136 24.196 1.00 8.59 ? 198 TYR E N 1 ATOM 1463 C CA . TYR A 1 198 ? 3.849 24.010 23.312 1.00 8.96 ? 198 TYR E CA 1 ATOM 1464 C C . TYR A 1 198 ? 2.343 23.777 23.103 1.00 10.18 ? 198 TYR E C 1 ATOM 1465 O O . TYR A 1 198 ? 1.580 24.231 23.951 1.00 11.10 ? 198 TYR E O 1 ATOM 1466 C CB . TYR A 1 198 ? 4.577 22.724 23.713 1.00 9.36 ? 198 TYR E CB 1 ATOM 1467 C CG . TYR A 1 198 ? 3.861 22.069 24.926 1.00 8.97 ? 198 TYR E CG 1 ATOM 1468 C CD1 . TYR A 1 198 ? 4.251 22.437 26.215 1.00 10.60 ? 198 TYR E CD1 1 ATOM 1469 C CD2 . TYR A 1 198 ? 2.882 21.128 24.743 1.00 11.83 ? 198 TYR E CD2 1 ATOM 1470 C CE1 . TYR A 1 198 ? 3.588 21.866 27.305 1.00 12.63 ? 198 TYR E CE1 1 ATOM 1471 C CE2 . TYR A 1 198 ? 2.183 20.582 25.835 1.00 13.44 ? 198 TYR E CE2 1 ATOM 1472 C CZ . TYR A 1 198 ? 2.599 20.942 27.108 1.00 14.67 ? 198 TYR E CZ 1 ATOM 1473 O OH . TYR A 1 198 ? 1.945 20.415 28.195 1.00 19.87 ? 198 TYR E OH 1 ATOM 1474 N N . THR A 1 199 ? 2.031 23.172 22.001 1.00 8.33 ? 199 THR E N 1 ATOM 1475 C CA . THR A 1 199 ? 0.617 22.756 21.738 1.00 9.99 ? 199 THR E CA 1 ATOM 1476 C C . THR A 1 199 ? 0.693 21.284 21.314 1.00 11.52 ? 199 THR E C 1 ATOM 1477 O O . THR A 1 199 ? 1.366 21.020 20.313 1.00 10.33 ? 199 THR E O 1 ATOM 1478 C CB . THR A 1 199 ? -0.110 23.588 20.644 1.00 11.95 ? 199 THR E CB 1 ATOM 1479 O OG1 . THR A 1 199 ? -0.080 24.967 21.155 1.00 14.42 ? 199 THR E OG1 1 ATOM 1480 C CG2 . THR A 1 199 ? -1.553 23.124 20.377 1.00 14.09 ? 199 THR E CG2 1 ATOM 1481 N N . ALA A 1 200 ? 0.041 20.422 22.024 1.00 11.64 ? 200 ALA E N 1 ATOM 1482 C CA . ALA A 1 200 ? -0.015 18.962 21.696 1.00 10.23 ? 200 ALA E CA 1 ATOM 1483 C C . ALA A 1 200 ? -1.460 18.769 21.277 1.00 11.77 ? 200 ALA E C 1 ATOM 1484 O O . ALA A 1 200 ? -2.334 18.699 22.152 1.00 12.06 ? 200 ALA E O 1 ATOM 1485 C CB . ALA A 1 200 ? 0.454 18.200 22.909 1.00 9.10 ? 200 ALA E CB 1 ATOM 1486 N N . GLY A 1 201 ? -1.752 18.779 19.987 1.00 11.93 ? 201 GLY E N 1 ATOM 1487 C CA . GLY A 1 201 ? -3.106 18.634 19.492 1.00 13.70 ? 201 GLY E CA 1 ATOM 1488 C C . GLY A 1 201 ? -4.016 19.652 20.129 1.00 12.78 ? 201 GLY E C 1 ATOM 1489 O O . GLY A 1 201 ? -3.795 20.842 19.855 1.00 14.07 ? 201 GLY E O 1 ATOM 1490 N N . SER A 1 202 ? -4.942 19.295 20.943 1.00 12.29 ? 202 SER E N 1 ATOM 1491 C CA . SER A 1 202 ? -5.907 20.198 21.587 1.00 12.44 ? 202 SER E CA 1 ATOM 1492 C C . SER A 1 202 ? -5.497 20.818 22.885 1.00 13.42 ? 202 SER E C 1 ATOM 1493 O O . SER A 1 202 ? -6.365 21.507 23.477 1.00 13.30 ? 202 SER E O 1 ATOM 1494 C CB . SER A 1 202 ? -7.193 19.416 21.973 1.00 16.28 ? 202 SER E CB 1 ATOM 1495 O OG . SER A 1 202 ? -7.517 18.706 20.833 1.00 25.41 ? 202 SER E OG 1 ATOM 1496 N N . GLN A 1 203 ? -4.312 20.478 23.365 1.00 12.40 ? 203 GLN E N 1 ATOM 1497 C CA . GLN A 1 203 ? -3.867 20.998 24.659 1.00 13.28 ? 203 GLN E CA 1 ATOM 1498 C C . GLN A 1 203 ? -2.643 21.884 24.564 1.00 12.76 ? 203 GLN E C 1 ATOM 1499 O O . GLN A 1 203 ? -1.774 21.519 23.814 1.00 14.04 ? 203 GLN E O 1 ATOM 1500 C CB . GLN A 1 203 ? -3.511 19.855 25.591 1.00 19.11 ? 203 GLN E CB 1 ATOM 1501 C CG . GLN A 1 203 ? -4.661 18.842 25.640 1.00 26.47 ? 203 GLN E CG 1 ATOM 1502 C CD . GLN A 1 203 ? -5.266 18.990 27.012 1.00 33.39 ? 203 GLN E CD 1 ATOM 1503 O OE1 . GLN A 1 203 ? -4.426 19.064 27.926 1.00 40.22 ? 203 GLN E OE1 1 ATOM 1504 N NE2 . GLN A 1 203 ? -6.585 19.056 27.054 1.00 35.75 ? 203 GLN E NE2 1 ATOM 1505 N N . SER A 1 204 ? -2.515 22.947 25.314 1.00 14.91 ? 204 SER E N 1 ATOM 1506 C CA . SER A 1 204 ? -1.310 23.806 25.274 1.00 13.88 ? 204 SER E CA 1 ATOM 1507 C C . SER A 1 204 ? -0.669 23.805 26.619 1.00 15.81 ? 204 SER E C 1 ATOM 1508 O O . SER A 1 204 ? -1.452 23.567 27.554 1.00 19.95 ? 204 SER E O 1 ATOM 1509 C CB . SER A 1 204 ? -1.648 25.206 24.817 1.00 17.03 ? 204 SER E CB 1 ATOM 1510 O OG . SER A 1 204 ? -2.181 25.200 23.459 1.00 17.37 ? 204 SER E OG 1 ATOM 1511 N N . GLY A 1 205 ? 0.605 24.126 26.797 1.00 13.88 ? 205 GLY E N 1 ATOM 1512 C CA . GLY A 1 205 ? 1.199 24.107 28.163 1.00 13.12 ? 205 GLY E CA 1 ATOM 1513 C C . GLY A 1 205 ? 2.352 25.108 28.162 1.00 14.62 ? 205 GLY E C 1 ATOM 1514 O O . GLY A 1 205 ? 2.616 25.754 27.151 1.00 14.28 ? 205 GLY E O 1 ATOM 1515 N N . ASP A 1 206 ? 3.008 25.195 29.296 1.00 16.76 ? 206 ASP E N 1 ATOM 1516 C CA . ASP A 1 206 ? 4.100 26.205 29.383 1.00 19.61 ? 206 ASP E CA 1 ATOM 1517 C C . ASP A 1 206 ? 5.367 25.589 28.808 1.00 15.40 ? 206 ASP E C 1 ATOM 1518 O O . ASP A 1 206 ? 5.477 24.427 28.505 1.00 14.88 ? 206 ASP E O 1 ATOM 1519 C CB . ASP A 1 206 ? 4.090 26.858 30.749 1.00 32.04 ? 206 ASP E CB 1 ATOM 1520 C CG . ASP A 1 206 ? 2.742 27.586 30.994 1.00 41.16 ? 206 ASP E CG 1 ATOM 1521 O OD1 . ASP A 1 206 ? 1.995 27.080 31.871 1.00 45.50 ? 206 ASP E OD1 1 ATOM 1522 O OD2 . ASP A 1 206 ? 2.402 28.605 30.324 1.00 43.65 ? 206 ASP E OD2 1 ATOM 1523 N N . GLY A 1 207 ? 6.295 26.484 28.642 1.00 14.55 ? 207 GLY E N 1 ATOM 1524 C CA . GLY A 1 207 ? 7.622 26.238 28.058 1.00 13.05 ? 207 GLY E CA 1 ATOM 1525 C C . GLY A 1 207 ? 8.561 25.416 28.881 1.00 12.88 ? 207 GLY E C 1 ATOM 1526 O O . GLY A 1 207 ? 8.348 24.938 30.003 1.00 11.63 ? 207 GLY E O 1 ATOM 1527 N N . PHE A 1 208 ? 9.752 25.203 28.235 1.00 12.36 ? 208 PHE E N 1 ATOM 1528 C CA . PHE A 1 208 ? 10.813 24.355 28.775 1.00 10.62 ? 208 PHE E CA 1 ATOM 1529 C C . PHE A 1 208 ? 12.061 24.584 27.924 1.00 10.74 ? 208 PHE E C 1 ATOM 1530 O O . PHE A 1 208 ? 11.944 25.359 26.979 1.00 10.68 ? 208 PHE E O 1 ATOM 1531 C CB . PHE A 1 208 ? 10.330 22.881 28.846 1.00 7.83 ? 208 PHE E CB 1 ATOM 1532 C CG . PHE A 1 208 ? 9.748 22.346 27.567 1.00 9.26 ? 208 PHE E CG 1 ATOM 1533 C CD1 . PHE A 1 208 ? 8.387 22.349 27.349 1.00 11.89 ? 208 PHE E CD1 1 ATOM 1534 C CD2 . PHE A 1 208 ? 10.607 21.829 26.587 1.00 9.66 ? 208 PHE E CD2 1 ATOM 1535 C CE1 . PHE A 1 208 ? 7.875 21.878 26.141 1.00 10.73 ? 208 PHE E CE1 1 ATOM 1536 C CE2 . PHE A 1 208 ? 10.124 21.374 25.367 1.00 9.45 ? 208 PHE E CE2 1 ATOM 1537 C CZ . PHE A 1 208 ? 8.729 21.387 25.167 1.00 11.22 ? 208 PHE E CZ 1 ATOM 1538 N N . SER A 1 209 ? 13.140 23.878 28.231 1.00 8.72 ? 209 SER E N 1 ATOM 1539 C CA . SER A 1 209 ? 14.372 24.026 27.428 1.00 8.71 ? 209 SER E CA 1 ATOM 1540 C C . SER A 1 209 ? 14.651 22.628 26.809 1.00 7.81 ? 209 SER E C 1 ATOM 1541 O O . SER A 1 209 ? 14.171 21.612 27.293 1.00 6.64 ? 209 SER E O 1 ATOM 1542 C CB . SER A 1 209 ? 15.600 24.549 28.129 1.00 8.60 ? 209 SER E CB 1 ATOM 1543 O OG . SER A 1 209 ? 16.002 23.519 28.973 1.00 12.20 ? 209 SER E OG 1 ATOM 1544 N N . GLY A 1 210 ? 15.417 22.715 25.705 1.00 8.01 ? 210 GLY E N 1 ATOM 1545 C CA . GLY A 1 210 ? 15.752 21.440 25.020 1.00 8.34 ? 210 GLY E CA 1 ATOM 1546 C C . GLY A 1 210 ? 16.995 21.628 24.185 1.00 7.59 ? 210 GLY E C 1 ATOM 1547 O O . GLY A 1 210 ? 17.427 22.767 23.992 1.00 7.76 ? 210 GLY E O 1 ATOM 1548 N N . ILE A 1 211 ? 17.507 20.526 23.632 1.00 5.42 ? 211 ILE E N 1 ATOM 1549 C CA . ILE A 1 211 ? 18.735 20.635 22.800 1.00 3.98 ? 211 ILE E CA 1 ATOM 1550 C C . ILE A 1 211 ? 18.402 20.190 21.395 1.00 3.87 ? 211 ILE E C 1 ATOM 1551 O O . ILE A 1 211 ? 17.651 19.208 21.247 1.00 7.33 ? 211 ILE E O 1 ATOM 1552 C CB . ILE A 1 211 ? 19.799 19.784 23.520 1.00 5.65 ? 211 ILE E CB 1 ATOM 1553 C CG1 . ILE A 1 211 ? 19.496 18.245 23.617 1.00 6.88 ? 211 ILE E CG1 1 ATOM 1554 C CG2 . ILE A 1 211 ? 20.090 20.338 24.934 1.00 6.85 ? 211 ILE E CG2 1 ATOM 1555 C CD1 . ILE A 1 211 ? 20.888 17.497 23.754 1.00 7.81 ? 211 ILE E CD1 1 ATOM 1556 N N . ALA A 1 212 ? 18.988 20.756 20.361 1.00 4.48 ? 212 ALA E N 1 ATOM 1557 C CA . ALA A 1 212 ? 18.821 20.376 18.953 1.00 4.76 ? 212 ALA E CA 1 ATOM 1558 C C . ALA A 1 212 ? 19.892 19.312 18.729 1.00 6.21 ? 212 ALA E C 1 ATOM 1559 O O . ALA A 1 212 ? 21.102 19.519 18.835 1.00 5.20 ? 212 ALA E O 1 ATOM 1560 C CB . ALA A 1 212 ? 19.101 21.590 18.043 1.00 4.15 ? 212 ALA E CB 1 ATOM 1561 N N . ASP A 1 213 ? 19.402 18.079 18.514 1.00 6.64 ? 213 ASP E N 1 ATOM 1562 C CA . ASP A 1 213 ? 20.253 16.869 18.495 1.00 5.56 ? 213 ASP E CA 1 ATOM 1563 C C . ASP A 1 213 ? 20.000 15.914 17.360 1.00 6.50 ? 213 ASP E C 1 ATOM 1564 O O . ASP A 1 213 ? 19.088 15.063 17.391 1.00 6.52 ? 213 ASP E O 1 ATOM 1565 C CB . ASP A 1 213 ? 19.931 16.205 19.886 1.00 4.76 ? 213 ASP E CB 1 ATOM 1566 C CG . ASP A 1 213 ? 20.868 15.029 20.142 1.00 9.38 ? 213 ASP E CG 1 ATOM 1567 O OD1 . ASP A 1 213 ? 21.732 14.667 19.353 1.00 7.98 ? 213 ASP E OD1 1 ATOM 1568 O OD2 . ASP A 1 213 ? 20.686 14.448 21.223 1.00 13.39 ? 213 ASP E OD2 1 ATOM 1569 N N . THR A 1 214 ? 20.848 16.027 16.325 1.00 6.59 ? 214 THR E N 1 ATOM 1570 C CA . THR A 1 214 ? 20.705 15.152 15.159 1.00 4.65 ? 214 THR E CA 1 ATOM 1571 C C . THR A 1 214 ? 21.014 13.697 15.483 1.00 3.75 ? 214 THR E C 1 ATOM 1572 O O . THR A 1 214 ? 20.594 12.884 14.670 1.00 6.33 ? 214 THR E O 1 ATOM 1573 C CB . THR A 1 214 ? 21.635 15.684 13.974 1.00 7.15 ? 214 THR E CB 1 ATOM 1574 O OG1 . THR A 1 214 ? 22.985 15.659 14.564 1.00 6.76 ? 214 THR E OG1 1 ATOM 1575 C CG2 . THR A 1 214 ? 21.251 17.088 13.473 1.00 5.52 ? 214 THR E CG2 1 ATOM 1576 N N . GLY A 1 215 ? 21.705 13.397 16.554 1.00 3.60 ? 215 GLY E N 1 ATOM 1577 C CA . GLY A 1 215 ? 22.077 12.032 16.926 1.00 3.76 ? 215 GLY E CA 1 ATOM 1578 C C . GLY A 1 215 ? 20.984 11.270 17.662 1.00 5.92 ? 215 GLY E C 1 ATOM 1579 O O . GLY A 1 215 ? 21.282 10.107 18.002 1.00 7.34 ? 215 GLY E O 1 ATOM 1580 N N . THR A 1 216 ? 19.863 11.848 17.949 1.00 4.47 ? 216 THR E N 1 ATOM 1581 C CA . THR A 1 216 ? 18.716 11.191 18.638 1.00 4.93 ? 216 THR E CA 1 ATOM 1582 C C . THR A 1 216 ? 17.621 11.024 17.614 1.00 7.61 ? 216 THR E C 1 ATOM 1583 O O . THR A 1 216 ? 17.199 11.995 16.967 1.00 8.26 ? 216 THR E O 1 ATOM 1584 C CB . THR A 1 216 ? 18.198 11.929 19.939 1.00 6.06 ? 216 THR E CB 1 ATOM 1585 O OG1 . THR A 1 216 ? 19.314 11.770 20.818 1.00 8.30 ? 216 THR E OG1 1 ATOM 1586 C CG2 . THR A 1 216 ? 16.931 11.342 20.577 1.00 4.21 ? 216 THR E CG2 1 ATOM 1587 N N . THR A 1 217 ? 17.108 9.833 17.529 1.00 6.43 ? 217 THR E N 1 ATOM 1588 C CA . THR A 1 217 ? 16.065 9.510 16.553 1.00 5.09 ? 217 THR E CA 1 ATOM 1589 C C . THR A 1 217 ? 14.743 10.209 16.815 1.00 6.57 ? 217 THR E C 1 ATOM 1590 O O . THR A 1 217 ? 14.097 10.648 15.856 1.00 7.18 ? 217 THR E O 1 ATOM 1591 C CB . THR A 1 217 ? 15.846 7.932 16.511 1.00 5.60 ? 217 THR E CB 1 ATOM 1592 O OG1 . THR A 1 217 ? 17.115 7.325 16.267 1.00 7.56 ? 217 THR E OG1 1 ATOM 1593 C CG2 . THR A 1 217 ? 14.804 7.543 15.468 1.00 5.16 ? 217 THR E CG2 1 ATOM 1594 N N . LEU A 1 218 ? 14.308 10.220 18.075 1.00 5.64 ? 218 LEU E N 1 ATOM 1595 C CA . LEU A 1 218 ? 12.931 10.679 18.365 1.00 7.49 ? 218 LEU E CA 1 ATOM 1596 C C . LEU A 1 218 ? 12.901 12.055 18.985 1.00 7.01 ? 218 LEU E C 1 ATOM 1597 O O . LEU A 1 218 ? 13.939 12.643 19.189 1.00 8.15 ? 218 LEU E O 1 ATOM 1598 C CB . LEU A 1 218 ? 12.324 9.557 19.229 1.00 6.91 ? 218 LEU E CB 1 ATOM 1599 C CG . LEU A 1 218 ? 12.361 8.110 18.695 1.00 9.18 ? 218 LEU E CG 1 ATOM 1600 C CD1 . LEU A 1 218 ? 11.825 7.156 19.742 1.00 13.31 ? 218 LEU E CD1 1 ATOM 1601 C CD2 . LEU A 1 218 ? 11.556 8.033 17.399 1.00 8.14 ? 218 LEU E CD2 1 ATOM 1602 N N . LEU A 1 219 ? 11.696 12.496 19.317 1.00 5.77 ? 219 LEU E N 1 ATOM 1603 C CA . LEU A 1 219 ? 11.440 13.770 20.011 1.00 6.55 ? 219 LEU E CA 1 ATOM 1604 C C . LEU A 1 219 ? 11.208 13.312 21.496 1.00 6.59 ? 219 LEU E C 1 ATOM 1605 O O . LEU A 1 219 ? 10.129 12.700 21.704 1.00 8.00 ? 219 LEU E O 1 ATOM 1606 C CB . LEU A 1 219 ? 10.219 14.426 19.359 1.00 5.83 ? 219 LEU E CB 1 ATOM 1607 C CG . LEU A 1 219 ? 9.713 15.698 19.972 1.00 4.95 ? 219 LEU E CG 1 ATOM 1608 C CD1 . LEU A 1 219 ? 10.824 16.707 20.279 1.00 7.09 ? 219 LEU E CD1 1 ATOM 1609 C CD2 . LEU A 1 219 ? 8.670 16.347 19.039 1.00 7.07 ? 219 LEU E CD2 1 ATOM 1610 N N . LEU A 1 220 ? 12.112 13.592 22.370 1.00 6.19 ? 220 LEU E N 1 ATOM 1611 C CA . LEU A 1 220 ? 12.004 13.103 23.759 1.00 7.02 ? 220 LEU E CA 1 ATOM 1612 C C . LEU A 1 220 ? 11.530 14.235 24.699 1.00 6.88 ? 220 LEU E C 1 ATOM 1613 O O . LEU A 1 220 ? 12.268 15.196 24.825 1.00 6.80 ? 220 LEU E O 1 ATOM 1614 C CB . LEU A 1 220 ? 13.278 12.404 24.186 1.00 6.27 ? 220 LEU E CB 1 ATOM 1615 C CG . LEU A 1 220 ? 13.860 11.286 23.325 1.00 7.34 ? 220 LEU E CG 1 ATOM 1616 C CD1 . LEU A 1 220 ? 15.207 10.834 23.880 1.00 9.45 ? 220 LEU E CD1 1 ATOM 1617 C CD2 . LEU A 1 220 ? 12.809 10.180 23.223 1.00 6.88 ? 220 LEU E CD2 1 ATOM 1618 N N . LEU A 1 221 ? 10.365 14.102 25.275 1.00 5.99 ? 221 LEU E N 1 ATOM 1619 C CA . LEU A 1 221 ? 9.739 15.147 26.080 1.00 7.95 ? 221 LEU E CA 1 ATOM 1620 C C . LEU A 1 221 ? 9.457 14.677 27.494 1.00 8.99 ? 221 LEU E C 1 ATOM 1621 O O . LEU A 1 221 ? 9.596 13.490 27.767 1.00 9.68 ? 221 LEU E O 1 ATOM 1622 C CB . LEU A 1 221 ? 8.484 15.612 25.320 1.00 8.67 ? 221 LEU E CB 1 ATOM 1623 C CG . LEU A 1 221 ? 8.599 16.126 23.889 1.00 9.63 ? 221 LEU E CG 1 ATOM 1624 C CD1 . LEU A 1 221 ? 7.194 16.304 23.369 1.00 10.43 ? 221 LEU E CD1 1 ATOM 1625 C CD2 . LEU A 1 221 ? 9.368 17.447 23.880 1.00 10.32 ? 221 LEU E CD2 1 ATOM 1626 N N . ASP A 1 222 ? 9.082 15.589 28.403 1.00 8.04 ? 222 ASP E N 1 ATOM 1627 C CA . ASP A 1 222 ? 8.753 15.199 29.756 1.00 8.94 ? 222 ASP E CA 1 ATOM 1628 C C . ASP A 1 222 ? 7.582 14.232 29.748 1.00 10.63 ? 222 ASP E C 1 ATOM 1629 O O . ASP A 1 222 ? 6.713 14.394 28.906 1.00 11.47 ? 222 ASP E O 1 ATOM 1630 C CB . ASP A 1 222 ? 8.322 16.440 30.585 1.00 11.06 ? 222 ASP E CB 1 ATOM 1631 C CG . ASP A 1 222 ? 9.576 17.275 30.929 1.00 18.23 ? 222 ASP E CG 1 ATOM 1632 O OD1 . ASP A 1 222 ? 10.747 16.886 30.923 1.00 16.61 ? 222 ASP E OD1 1 ATOM 1633 O OD2 . ASP A 1 222 ? 9.249 18.470 31.124 1.00 24.03 ? 222 ASP E OD2 1 ATOM 1634 N N . ASP A 1 223 ? 7.541 13.321 30.675 1.00 13.19 ? 223 ASP E N 1 ATOM 1635 C CA . ASP A 1 223 ? 6.456 12.331 30.781 1.00 13.68 ? 223 ASP E CA 1 ATOM 1636 C C . ASP A 1 223 ? 5.099 12.967 30.781 1.00 14.27 ? 223 ASP E C 1 ATOM 1637 O O . ASP A 1 223 ? 4.156 12.445 30.206 1.00 15.03 ? 223 ASP E O 1 ATOM 1638 C CB . ASP A 1 223 ? 6.689 11.544 32.074 1.00 19.66 ? 223 ASP E CB 1 ATOM 1639 C CG . ASP A 1 223 ? 7.848 10.561 32.079 1.00 27.75 ? 223 ASP E CG 1 ATOM 1640 O OD1 . ASP A 1 223 ? 8.532 10.359 33.129 1.00 28.02 ? 223 ASP E OD1 1 ATOM 1641 O OD2 . ASP A 1 223 ? 8.078 9.977 30.980 1.00 29.67 ? 223 ASP E OD2 1 ATOM 1642 N N . SER A 1 224 ? 4.937 14.133 31.399 1.00 16.30 ? 224 SER E N 1 ATOM 1643 C CA . SER A 1 224 ? 3.710 14.918 31.490 1.00 14.44 ? 224 SER E CA 1 ATOM 1644 C C . SER A 1 224 ? 3.208 15.286 30.095 1.00 15.08 ? 224 SER E C 1 ATOM 1645 O O . SER A 1 224 ? 2.003 15.190 29.824 1.00 15.24 ? 224 SER E O 1 ATOM 1646 C CB . SER A 1 224 ? 3.759 16.133 32.402 1.00 17.44 ? 224 SER E CB 1 ATOM 1647 O OG . SER A 1 224 ? 4.751 17.092 32.054 1.00 22.97 ? 224 SER E OG 1 ATOM 1648 N N . VAL A 1 225 ? 4.111 15.717 29.223 1.00 12.36 ? 225 VAL E N 1 ATOM 1649 C CA . VAL A 1 225 ? 3.798 16.116 27.862 1.00 10.31 ? 225 VAL E CA 1 ATOM 1650 C C . VAL A 1 225 ? 3.462 14.868 27.022 1.00 10.26 ? 225 VAL E C 1 ATOM 1651 O O . VAL A 1 225 ? 2.512 14.953 26.209 1.00 10.52 ? 225 VAL E O 1 ATOM 1652 C CB . VAL A 1 225 ? 4.883 16.990 27.198 1.00 9.72 ? 225 VAL E CB 1 ATOM 1653 C CG1 . VAL A 1 225 ? 4.416 17.376 25.800 1.00 12.03 ? 225 VAL E CG1 1 ATOM 1654 C CG2 . VAL A 1 225 ? 5.217 18.218 28.058 1.00 11.72 ? 225 VAL E CG2 1 ATOM 1655 N N . VAL A 1 226 ? 4.289 13.840 27.230 1.00 9.19 ? 226 VAL E N 1 ATOM 1656 C CA . VAL A 1 226 ? 3.986 12.567 26.505 1.00 9.97 ? 226 VAL E CA 1 ATOM 1657 C C . VAL A 1 226 ? 2.570 12.044 26.830 1.00 11.32 ? 226 VAL E C 1 ATOM 1658 O O . VAL A 1 226 ? 1.812 11.703 25.906 1.00 10.19 ? 226 VAL E O 1 ATOM 1659 C CB . VAL A 1 226 ? 5.080 11.524 26.862 1.00 8.40 ? 226 VAL E CB 1 ATOM 1660 C CG1 . VAL A 1 226 ? 4.846 10.215 26.122 1.00 9.12 ? 226 VAL E CG1 1 ATOM 1661 C CG2 . VAL A 1 226 ? 6.400 12.186 26.491 1.00 11.24 ? 226 VAL E CG2 1 ATOM 1662 N N . SER A 1 227 ? 2.229 12.016 28.123 1.00 12.37 ? 227 SER E N 1 ATOM 1663 C CA . SER A 1 227 ? 0.893 11.553 28.529 1.00 12.36 ? 227 SER E CA 1 ATOM 1664 C C . SER A 1 227 ? -0.196 12.315 27.868 1.00 13.72 ? 227 SER E C 1 ATOM 1665 O O . SER A 1 227 ? -1.216 11.815 27.330 1.00 16.63 ? 227 SER E O 1 ATOM 1666 C CB . SER A 1 227 ? 0.751 11.756 30.068 1.00 13.77 ? 227 SER E CB 1 ATOM 1667 O OG . SER A 1 227 ? 1.549 10.629 30.529 1.00 23.01 ? 227 SER E OG 1 ATOM 1668 N N . GLN A 1 228 ? -0.053 13.651 27.918 1.00 13.56 ? 228 GLN E N 1 ATOM 1669 C CA . GLN A 1 228 ? -1.013 14.602 27.351 1.00 13.53 ? 228 GLN E CA 1 ATOM 1670 C C . GLN A 1 228 ? -1.199 14.380 25.862 1.00 14.42 ? 228 GLN E C 1 ATOM 1671 O O . GLN A 1 228 ? -2.336 14.517 25.384 1.00 16.35 ? 228 GLN E O 1 ATOM 1672 C CB . GLN A 1 228 ? -0.468 16.003 27.673 1.00 17.51 ? 228 GLN E CB 1 ATOM 1673 C CG . GLN A 1 228 ? -1.402 17.123 27.409 1.00 25.79 ? 228 GLN E CG 1 ATOM 1674 C CD . GLN A 1 228 ? -0.754 18.411 27.907 1.00 30.22 ? 228 GLN E CD 1 ATOM 1675 O OE1 . GLN A 1 228 ? -1.353 19.081 28.748 1.00 37.66 ? 228 GLN E OE1 1 ATOM 1676 N NE2 . GLN A 1 228 ? 0.422 18.750 27.455 1.00 27.63 ? 228 GLN E NE2 1 ATOM 1677 N N . TYR A 1 229 ? -0.099 14.124 25.148 1.00 11.01 ? 229 TYR E N 1 ATOM 1678 C CA . TYR A 1 229 ? -0.155 13.844 23.728 1.00 12.93 ? 229 TYR E CA 1 ATOM 1679 C C . TYR A 1 229 ? -0.937 12.554 23.436 1.00 11.06 ? 229 TYR E C 1 ATOM 1680 O O . TYR A 1 229 ? -1.896 12.556 22.639 1.00 10.57 ? 229 TYR E O 1 ATOM 1681 C CB . TYR A 1 229 ? 1.315 13.787 23.125 1.00 10.51 ? 229 TYR E CB 1 ATOM 1682 C CG . TYR A 1 229 ? 1.239 13.653 21.624 1.00 12.18 ? 229 TYR E CG 1 ATOM 1683 C CD1 . TYR A 1 229 ? 1.051 14.770 20.817 1.00 9.39 ? 229 TYR E CD1 1 ATOM 1684 C CD2 . TYR A 1 229 ? 1.392 12.375 21.036 1.00 10.25 ? 229 TYR E CD2 1 ATOM 1685 C CE1 . TYR A 1 229 ? 0.923 14.593 19.434 1.00 10.87 ? 229 TYR E CE1 1 ATOM 1686 C CE2 . TYR A 1 229 ? 1.279 12.210 19.666 1.00 10.05 ? 229 TYR E CE2 1 ATOM 1687 C CZ . TYR A 1 229 ? 1.060 13.329 18.848 1.00 13.38 ? 229 TYR E CZ 1 ATOM 1688 O OH . TYR A 1 229 ? 0.975 13.127 17.505 1.00 10.91 ? 229 TYR E OH 1 ATOM 1689 N N . TYR A 1 230 ? -0.480 11.421 23.999 1.00 10.95 ? 230 TYR E N 1 ATOM 1690 C CA . TYR A 1 230 ? -1.090 10.102 23.751 1.00 9.69 ? 230 TYR E CA 1 ATOM 1691 C C . TYR A 1 230 ? -2.518 9.927 24.323 1.00 11.77 ? 230 TYR E C 1 ATOM 1692 O O . TYR A 1 230 ? -3.225 9.014 23.829 1.00 12.78 ? 230 TYR E O 1 ATOM 1693 C CB . TYR A 1 230 ? -0.104 8.998 24.126 1.00 8.20 ? 230 TYR E CB 1 ATOM 1694 C CG . TYR A 1 230 ? 1.076 9.034 23.172 1.00 10.68 ? 230 TYR E CG 1 ATOM 1695 C CD1 . TYR A 1 230 ? 2.356 9.386 23.638 1.00 8.54 ? 230 TYR E CD1 1 ATOM 1696 C CD2 . TYR A 1 230 ? 0.895 8.676 21.837 1.00 8.64 ? 230 TYR E CD2 1 ATOM 1697 C CE1 . TYR A 1 230 ? 3.434 9.324 22.740 1.00 9.81 ? 230 TYR E CE1 1 ATOM 1698 C CE2 . TYR A 1 230 ? 1.972 8.674 20.958 1.00 11.24 ? 230 TYR E CE2 1 ATOM 1699 C CZ . TYR A 1 230 ? 3.232 9.019 21.425 1.00 7.37 ? 230 TYR E CZ 1 ATOM 1700 O OH . TYR A 1 230 ? 4.276 8.992 20.539 1.00 10.77 ? 230 TYR E OH 1 ATOM 1701 N N . SER A 1 231 ? -2.883 10.827 25.231 1.00 13.04 ? 231 SER E N 1 ATOM 1702 C CA . SER A 1 231 ? -4.284 10.788 25.759 1.00 14.14 ? 231 SER E CA 1 ATOM 1703 C C . SER A 1 231 ? -5.203 11.117 24.577 1.00 13.59 ? 231 SER E C 1 ATOM 1704 O O . SER A 1 231 ? -6.427 10.775 24.566 1.00 15.86 ? 231 SER E O 1 ATOM 1705 C CB . SER A 1 231 ? -4.394 11.663 26.956 1.00 14.16 ? 231 SER E CB 1 ATOM 1706 O OG . SER A 1 231 ? -4.637 13.022 26.486 1.00 17.76 ? 231 SER E OG 1 ATOM 1707 N N . GLN A 1 232 ? -4.664 11.799 23.584 1.00 13.43 ? 232 GLN E N 1 ATOM 1708 C CA . GLN A 1 232 ? -5.473 12.142 22.391 1.00 14.73 ? 232 GLN E CA 1 ATOM 1709 C C . GLN A 1 232 ? -5.354 11.172 21.274 1.00 16.28 ? 232 GLN E C 1 ATOM 1710 O O . GLN A 1 232 ? -5.881 11.482 20.190 1.00 18.12 ? 232 GLN E O 1 ATOM 1711 C CB . GLN A 1 232 ? -5.062 13.553 21.923 1.00 16.18 ? 232 GLN E CB 1 ATOM 1712 C CG . GLN A 1 232 ? -5.259 14.544 23.077 1.00 13.86 ? 232 GLN E CG 1 ATOM 1713 C CD . GLN A 1 232 ? -4.644 15.896 22.703 1.00 15.71 ? 232 GLN E CD 1 ATOM 1714 O OE1 . GLN A 1 232 ? -5.065 16.468 21.719 1.00 16.70 ? 232 GLN E OE1 1 ATOM 1715 N NE2 . GLN A 1 232 ? -3.600 16.316 23.341 1.00 13.80 ? 232 GLN E NE2 1 ATOM 1716 N N . VAL A 1 233 ? -4.705 10.048 21.444 1.00 14.53 ? 233 VAL E N 1 ATOM 1717 C CA . VAL A 1 233 ? -4.485 9.053 20.392 1.00 14.62 ? 233 VAL E CA 1 ATOM 1718 C C . VAL A 1 233 ? -5.246 7.795 20.848 1.00 15.85 ? 233 VAL E C 1 ATOM 1719 O O . VAL A 1 233 ? -4.912 7.214 21.886 1.00 14.18 ? 233 VAL E O 1 ATOM 1720 C CB . VAL A 1 233 ? -3.003 8.727 20.181 1.00 12.36 ? 233 VAL E CB 1 ATOM 1721 C CG1 . VAL A 1 233 ? -2.758 7.618 19.178 1.00 15.28 ? 233 VAL E CG1 1 ATOM 1722 C CG2 . VAL A 1 233 ? -2.223 9.999 19.821 1.00 14.42 ? 233 VAL E CG2 1 ATOM 1723 N N . SER A 1 234 ? -6.268 7.531 20.085 1.00 18.84 ? 234 SER E N 1 ATOM 1724 C CA . SER A 1 234 ? -7.147 6.413 20.430 1.00 21.94 ? 234 SER E CA 1 ATOM 1725 C C . SER A 1 234 ? -6.382 5.085 20.505 1.00 19.72 ? 234 SER E C 1 ATOM 1726 O O . SER A 1 234 ? -5.724 4.818 19.499 1.00 20.82 ? 234 SER E O 1 ATOM 1727 C CB . SER A 1 234 ? -8.277 6.319 19.398 1.00 28.61 ? 234 SER E CB 1 ATOM 1728 O OG . SER A 1 234 ? -9.308 5.649 20.193 1.00 36.11 ? 234 SER E OG 1 ATOM 1729 N N . GLY A 1 235 ? -6.503 4.379 21.626 1.00 19.23 ? 235 GLY E N 1 ATOM 1730 C CA . GLY A 1 235 ? -5.873 3.084 21.760 1.00 20.52 ? 235 GLY E CA 1 ATOM 1731 C C . GLY A 1 235 ? -4.372 3.075 21.918 1.00 21.91 ? 235 GLY E C 1 ATOM 1732 O O . GLY A 1 235 ? -3.800 1.989 21.796 1.00 23.44 ? 235 GLY E O 1 ATOM 1733 N N . ALA A 1 236 ? -3.724 4.218 22.106 1.00 21.00 ? 236 ALA E N 1 ATOM 1734 C CA . ALA A 1 236 ? -2.271 4.235 22.261 1.00 18.68 ? 236 ALA E CA 1 ATOM 1735 C C . ALA A 1 236 ? -1.932 3.494 23.544 1.00 19.05 ? 236 ALA E C 1 ATOM 1736 O O . ALA A 1 236 ? -2.569 3.783 24.569 1.00 19.82 ? 236 ALA E O 1 ATOM 1737 C CB . ALA A 1 236 ? -1.743 5.670 22.296 1.00 20.92 ? 236 ALA E CB 1 ATOM 1738 N N . GLN A 1 237 ? -0.889 2.652 23.493 1.00 15.21 ? 237 GLN E N 1 ATOM 1739 C CA . GLN A 1 237 ? -0.491 1.952 24.735 1.00 16.34 ? 237 GLN E CA 1 ATOM 1740 C C . GLN A 1 237 ? 1.037 1.821 24.712 1.00 12.36 ? 237 GLN E C 1 ATOM 1741 O O . GLN A 1 237 ? 1.618 1.891 23.641 1.00 12.19 ? 237 GLN E O 1 ATOM 1742 C CB . GLN A 1 237 ? -1.173 0.573 24.829 1.00 22.79 ? 237 GLN E CB 1 ATOM 1743 C CG . GLN A 1 237 ? -0.856 -0.095 23.501 1.00 36.32 ? 237 GLN E CG 1 ATOM 1744 C CD . GLN A 1 237 ? -1.328 -1.507 23.292 1.00 44.30 ? 237 GLN E CD 1 ATOM 1745 O OE1 . GLN A 1 237 ? -2.316 -1.927 23.930 1.00 47.95 ? 237 GLN E OE1 1 ATOM 1746 N NE2 . GLN A 1 237 ? -0.582 -2.165 22.370 1.00 44.91 ? 237 GLN E NE2 1 ATOM 1747 N N . GLN A 1 238 ? 1.640 1.669 25.840 1.00 10.74 ? 238 GLN E N 1 ATOM 1748 C CA . GLN A 1 238 ? 3.072 1.455 25.983 1.00 10.69 ? 238 GLN E CA 1 ATOM 1749 C C . GLN A 1 238 ? 3.373 0.004 25.673 1.00 10.13 ? 238 GLN E C 1 ATOM 1750 O O . GLN A 1 238 ? 2.633 -0.925 26.075 1.00 11.54 ? 238 GLN E O 1 ATOM 1751 C CB . GLN A 1 238 ? 3.511 1.820 27.380 1.00 12.80 ? 238 GLN E CB 1 ATOM 1752 C CG . GLN A 1 238 ? 3.649 3.347 27.343 1.00 18.83 ? 238 GLN E CG 1 ATOM 1753 C CD . GLN A 1 238 ? 4.360 3.804 28.597 1.00 21.43 ? 238 GLN E CD 1 ATOM 1754 O OE1 . GLN A 1 238 ? 3.579 4.074 29.515 1.00 26.27 ? 238 GLN E OE1 1 ATOM 1755 N NE2 . GLN A 1 238 ? 5.653 3.778 28.570 1.00 23.54 ? 238 GLN E NE2 1 ATOM 1756 N N . ASP A 1 239 ? 4.432 -0.236 24.920 1.00 9.30 ? 239 ASP E N 1 ATOM 1757 C CA . ASP A 1 239 ? 4.850 -1.618 24.556 1.00 9.67 ? 239 ASP E CA 1 ATOM 1758 C C . ASP A 1 239 ? 6.368 -1.656 24.729 1.00 11.63 ? 239 ASP E C 1 ATOM 1759 O O . ASP A 1 239 ? 7.102 -1.100 23.902 1.00 11.32 ? 239 ASP E O 1 ATOM 1760 C CB . ASP A 1 239 ? 4.322 -1.928 23.159 1.00 10.99 ? 239 ASP E CB 1 ATOM 1761 C CG . ASP A 1 239 ? 4.796 -3.273 22.691 1.00 14.73 ? 239 ASP E CG 1 ATOM 1762 O OD1 . ASP A 1 239 ? 4.375 -3.650 21.605 1.00 19.29 ? 239 ASP E OD1 1 ATOM 1763 O OD2 . ASP A 1 239 ? 5.588 -3.917 23.348 1.00 15.97 ? 239 ASP E OD2 1 ATOM 1764 N N . SER A 1 240 ? 6.860 -2.299 25.784 1.00 11.57 ? 240 SER E N 1 ATOM 1765 C CA . SER A 1 240 ? 8.308 -2.318 26.038 1.00 15.24 ? 240 SER E CA 1 ATOM 1766 C C . SER A 1 240 ? 9.015 -3.122 24.939 1.00 17.36 ? 240 SER E C 1 ATOM 1767 O O . SER A 1 240 ? 10.224 -2.893 24.831 1.00 20.19 ? 240 SER E O 1 ATOM 1768 C CB . SER A 1 240 ? 8.664 -2.806 27.431 1.00 16.36 ? 240 SER E CB 1 ATOM 1769 O OG . SER A 1 240 ? 8.127 -4.108 27.586 1.00 17.65 ? 240 SER E OG 1 ATOM 1770 N N . ASN A 1 241 ? 8.351 -3.955 24.218 1.00 16.78 ? 241 ASN E N 1 ATOM 1771 C CA . ASN A 1 241 ? 8.952 -4.706 23.092 1.00 17.19 ? 241 ASN E CA 1 ATOM 1772 C C . ASN A 1 241 ? 9.267 -3.661 22.001 1.00 18.67 ? 241 ASN E C 1 ATOM 1773 O O . ASN A 1 241 ? 10.324 -3.754 21.350 1.00 22.52 ? 241 ASN E O 1 ATOM 1774 C CB . ASN A 1 241 ? 7.995 -5.720 22.494 1.00 16.00 ? 241 ASN E CB 1 ATOM 1775 C CG . ASN A 1 241 ? 7.595 -6.863 23.435 1.00 19.58 ? 241 ASN E CG 1 ATOM 1776 O OD1 . ASN A 1 241 ? 8.472 -7.313 24.189 1.00 20.83 ? 241 ASN E OD1 1 ATOM 1777 N ND2 . ASN A 1 241 ? 6.313 -7.164 23.317 1.00 16.75 ? 241 ASN E ND2 1 ATOM 1778 N N . ALA A 1 242 ? 8.428 -2.688 21.773 1.00 16.09 ? 242 ALA E N 1 ATOM 1779 C CA . ALA A 1 242 ? 8.586 -1.675 20.719 1.00 13.96 ? 242 ALA E CA 1 ATOM 1780 C C . ALA A 1 242 ? 9.441 -0.543 21.213 1.00 16.67 ? 242 ALA E C 1 ATOM 1781 O O . ALA A 1 242 ? 10.128 0.088 20.388 1.00 20.38 ? 242 ALA E O 1 ATOM 1782 C CB . ALA A 1 242 ? 7.201 -1.288 20.241 1.00 12.19 ? 242 ALA E CB 1 ATOM 1783 N N . GLY A 1 243 ? 9.506 -0.215 22.482 1.00 14.77 ? 243 GLY E N 1 ATOM 1784 C CA . GLY A 1 243 ? 10.295 0.932 22.935 1.00 16.03 ? 243 GLY E CA 1 ATOM 1785 C C . GLY A 1 243 ? 9.497 2.105 23.439 1.00 14.66 ? 243 GLY E C 1 ATOM 1786 O O . GLY A 1 243 ? 10.062 3.219 23.699 1.00 17.57 ? 243 GLY E O 1 ATOM 1787 N N . GLY A 1 244 ? 8.186 1.997 23.603 1.00 10.71 ? 244 GLY E N 1 ATOM 1788 C CA . GLY A 1 244 ? 7.435 3.151 24.095 1.00 10.94 ? 244 GLY E CA 1 ATOM 1789 C C . GLY A 1 244 ? 6.030 3.102 23.676 1.00 10.33 ? 244 GLY E C 1 ATOM 1790 O O . GLY A 1 244 ? 5.532 1.976 23.485 1.00 11.23 ? 244 GLY E O 1 ATOM 1791 N N . TYR A 1 245 ? 5.414 4.238 23.460 1.00 9.80 ? 245 TYR E N 1 ATOM 1792 C CA . TYR A 1 245 ? 3.983 4.211 23.076 1.00 8.96 ? 245 TYR E CA 1 ATOM 1793 C C . TYR A 1 245 ? 3.809 3.809 21.632 1.00 9.04 ? 245 TYR E C 1 ATOM 1794 O O . TYR A 1 245 ? 4.525 4.329 20.747 1.00 10.89 ? 245 TYR E O 1 ATOM 1795 C CB . TYR A 1 245 ? 3.440 5.655 23.219 1.00 7.28 ? 245 TYR E CB 1 ATOM 1796 C CG . TYR A 1 245 ? 3.067 6.036 24.629 1.00 9.42 ? 245 TYR E CG 1 ATOM 1797 C CD1 . TYR A 1 245 ? 3.969 6.570 25.515 1.00 10.83 ? 245 TYR E CD1 1 ATOM 1798 C CD2 . TYR A 1 245 ? 1.728 5.810 25.026 1.00 13.58 ? 245 TYR E CD2 1 ATOM 1799 C CE1 . TYR A 1 245 ? 3.642 6.894 26.841 1.00 12.98 ? 245 TYR E CE1 1 ATOM 1800 C CE2 . TYR A 1 245 ? 1.353 6.176 26.318 1.00 15.85 ? 245 TYR E CE2 1 ATOM 1801 C CZ . TYR A 1 245 ? 2.306 6.700 27.193 1.00 16.49 ? 245 TYR E CZ 1 ATOM 1802 O OH . TYR A 1 245 ? 1.807 6.968 28.446 1.00 23.49 ? 245 TYR E OH 1 ATOM 1803 N N . VAL A 1 246 ? 2.830 2.933 21.371 1.00 9.20 ? 246 VAL E N 1 ATOM 1804 C CA . VAL A 1 246 ? 2.500 2.454 20.036 1.00 8.38 ? 246 VAL E CA 1 ATOM 1805 C C . VAL A 1 246 ? 0.981 2.663 19.779 1.00 10.77 ? 246 VAL E C 1 ATOM 1806 O O . VAL A 1 246 ? 0.257 2.868 20.763 1.00 12.10 ? 246 VAL E O 1 ATOM 1807 C CB . VAL A 1 246 ? 2.903 0.991 19.831 1.00 9.56 ? 246 VAL E CB 1 ATOM 1808 C CG1 . VAL A 1 246 ? 4.353 0.718 20.024 1.00 7.57 ? 246 VAL E CG1 1 ATOM 1809 C CG2 . VAL A 1 246 ? 2.064 0.046 20.741 1.00 11.70 ? 246 VAL E CG2 1 ATOM 1810 N N . PHE A 1 247 ? 0.636 2.576 18.519 1.00 9.95 ? 247 PHE E N 1 ATOM 1811 C CA . PHE A 1 247 ? -0.777 2.808 18.122 1.00 11.61 ? 247 PHE E CA 1 ATOM 1812 C C . PHE A 1 247 ? -0.897 2.179 16.740 1.00 13.55 ? 247 PHE E C 1 ATOM 1813 O O . PHE A 1 247 ? 0.042 1.778 16.046 1.00 12.40 ? 247 PHE E O 1 ATOM 1814 C CB . PHE A 1 247 ? -1.166 4.330 18.117 1.00 10.83 ? 247 PHE E CB 1 ATOM 1815 C CG . PHE A 1 247 ? -0.092 5.130 17.445 1.00 12.32 ? 247 PHE E CG 1 ATOM 1816 C CD1 . PHE A 1 247 ? 0.885 5.747 18.245 1.00 16.05 ? 247 PHE E CD1 1 ATOM 1817 C CD2 . PHE A 1 247 ? 0.031 5.193 16.059 1.00 12.96 ? 247 PHE E CD2 1 ATOM 1818 C CE1 . PHE A 1 247 ? 1.950 6.400 17.648 1.00 16.01 ? 247 PHE E CE1 1 ATOM 1819 C CE2 . PHE A 1 247 ? 1.101 5.875 15.476 1.00 14.84 ? 247 PHE E CE2 1 ATOM 1820 C CZ . PHE A 1 247 ? 2.079 6.460 16.257 1.00 14.16 ? 247 PHE E CZ 1 ATOM 1821 N N . ASP A 1 248 ? -2.198 2.054 16.340 1.00 17.57 ? 248 ASP E N 1 ATOM 1822 C CA . ASP A 1 248 ? -2.517 1.482 15.027 1.00 18.50 ? 248 ASP E CA 1 ATOM 1823 C C . ASP A 1 248 ? -1.961 2.485 14.030 1.00 16.64 ? 248 ASP E C 1 ATOM 1824 O O . ASP A 1 248 ? -2.124 3.711 14.184 1.00 18.02 ? 248 ASP E O 1 ATOM 1825 C CB . ASP A 1 248 ? -3.981 1.100 14.784 1.00 29.70 ? 248 ASP E CB 1 ATOM 1826 C CG . ASP A 1 248 ? -4.419 0.988 13.328 1.00 35.87 ? 248 ASP E CG 1 ATOM 1827 O OD1 . ASP A 1 248 ? -5.318 1.783 12.954 1.00 43.22 ? 248 ASP E OD1 1 ATOM 1828 O OD2 . ASP A 1 248 ? -4.010 0.167 12.447 1.00 41.48 ? 248 ASP E OD2 1 ATOM 1829 N N . CYS A 1 249 ? -1.330 1.944 13.035 1.00 16.91 ? 249 CYS E N 1 ATOM 1830 C CA . CYS A 1 249 ? -0.685 2.705 11.971 1.00 17.39 ? 249 CYS E CA 1 ATOM 1831 C C . CYS A 1 249 ? -1.653 3.580 11.204 1.00 18.90 ? 249 CYS E C 1 ATOM 1832 O O . CYS A 1 249 ? -1.067 4.519 10.629 1.00 20.47 ? 249 CYS E O 1 ATOM 1833 C CB . CYS A 1 249 ? 0.115 1.800 11.053 1.00 17.41 ? 249 CYS E CB 1 ATOM 1834 S SG . CYS A 1 249 ? 1.408 0.909 11.898 1.00 16.46 ? 249 CYS E SG 1 ATOM 1835 N N . SER A 1 250 ? -2.914 3.399 11.198 1.00 17.47 ? 250 SER E N 1 ATOM 1836 C CA . SER A 1 250 ? -3.851 4.226 10.439 1.00 21.54 ? 250 SER E CA 1 ATOM 1837 C C . SER A 1 250 ? -4.453 5.382 11.204 1.00 21.93 ? 250 SER E C 1 ATOM 1838 O O . SER A 1 250 ? -5.283 6.184 10.708 1.00 23.71 ? 250 SER E O 1 ATOM 1839 C CB . SER A 1 250 ? -4.939 3.289 9.879 1.00 22.57 ? 250 SER E CB 1 ATOM 1840 O OG . SER A 1 250 ? -5.807 3.070 10.995 1.00 27.35 ? 250 SER E OG 1 ATOM 1841 N N . THR A 1 251 ? -4.067 5.490 12.444 1.00 21.63 ? 251 THR E N 1 ATOM 1842 C CA . THR A 1 251 ? -4.491 6.557 13.352 1.00 24.72 ? 251 THR E CA 1 ATOM 1843 C C . THR A 1 251 ? -4.126 7.933 12.800 1.00 23.67 ? 251 THR E C 1 ATOM 1844 O O . THR A 1 251 ? -3.104 8.106 12.150 1.00 25.22 ? 251 THR E O 1 ATOM 1845 C CB . THR A 1 251 ? -3.897 6.348 14.797 1.00 26.63 ? 251 THR E CB 1 ATOM 1846 O OG1 . THR A 1 251 ? -4.731 5.236 15.291 1.00 34.96 ? 251 THR E OG1 1 ATOM 1847 C CG2 . THR A 1 251 ? -4.083 7.485 15.763 1.00 30.09 ? 251 THR E CG2 1 ATOM 1848 N N . ASN A 1 252 ? -4.996 8.870 13.075 1.00 24.84 ? 252 ASN E N 1 ATOM 1849 C CA . ASN A 1 252 ? -4.873 10.295 12.788 1.00 27.42 ? 252 ASN E CA 1 ATOM 1850 C C . ASN A 1 252 ? -4.137 10.890 14.019 1.00 26.01 ? 252 ASN E C 1 ATOM 1851 O O . ASN A 1 252 ? -4.792 10.884 15.107 1.00 29.97 ? 252 ASN E O 1 ATOM 1852 C CB . ASN A 1 252 ? -6.247 10.990 12.753 1.00 33.71 ? 252 ASN E CB 1 ATOM 1853 C CG . ASN A 1 252 ? -7.032 10.566 11.518 1.00 37.92 ? 252 ASN E CG 1 ATOM 1854 O OD1 . ASN A 1 252 ? -8.209 10.199 11.628 1.00 38.79 ? 252 ASN E OD1 1 ATOM 1855 N ND2 . ASN A 1 252 ? -6.265 10.634 10.426 1.00 40.29 ? 252 ASN E ND2 1 ATOM 1856 N N . LEU A 1 253 ? -2.886 11.297 13.867 1.00 19.79 ? 253 LEU E N 1 ATOM 1857 C CA . LEU A 1 253 ? -2.215 11.813 15.060 1.00 12.98 ? 253 LEU E CA 1 ATOM 1858 C C . LEU A 1 253 ? -2.318 13.343 15.037 1.00 13.90 ? 253 LEU E C 1 ATOM 1859 O O . LEU A 1 253 ? -2.180 13.943 13.955 1.00 14.00 ? 253 LEU E O 1 ATOM 1860 C CB . LEU A 1 253 ? -0.757 11.356 14.889 1.00 13.76 ? 253 LEU E CB 1 ATOM 1861 C CG . LEU A 1 253 ? -0.421 9.865 14.960 1.00 13.56 ? 253 LEU E CG 1 ATOM 1862 C CD1 . LEU A 1 253 ? 1.065 9.753 14.766 1.00 15.99 ? 253 LEU E CD1 1 ATOM 1863 C CD2 . LEU A 1 253 ? -0.708 9.366 16.369 1.00 15.59 ? 253 LEU E CD2 1 ATOM 1864 N N . PRO A 1 254 ? -2.468 13.913 16.186 1.00 12.95 ? 254 PRO E N 1 ATOM 1865 C CA . PRO A 1 254 ? -2.458 15.375 16.312 1.00 13.67 ? 254 PRO E CA 1 ATOM 1866 C C . PRO A 1 254 ? -1.061 15.911 16.026 1.00 12.14 ? 254 PRO E C 1 ATOM 1867 O O . PRO A 1 254 ? -0.018 15.276 16.134 1.00 12.26 ? 254 PRO E O 1 ATOM 1868 C CB . PRO A 1 254 ? -2.723 15.619 17.802 1.00 14.20 ? 254 PRO E CB 1 ATOM 1869 C CG . PRO A 1 254 ? -3.009 14.307 18.426 1.00 15.61 ? 254 PRO E CG 1 ATOM 1870 C CD . PRO A 1 254 ? -2.663 13.231 17.480 1.00 11.77 ? 254 PRO E CD 1 ATOM 1871 N N . ASP A 1 255 ? -1.028 17.201 15.687 1.00 12.23 ? 255 ASP E N 1 ATOM 1872 C CA . ASP A 1 255 ? 0.282 17.888 15.440 1.00 11.48 ? 255 ASP E CA 1 ATOM 1873 C C . ASP A 1 255 ? 0.822 18.291 16.805 1.00 12.78 ? 255 ASP E C 1 ATOM 1874 O O . ASP A 1 255 ? 0.099 18.262 17.809 1.00 10.55 ? 255 ASP E O 1 ATOM 1875 C CB . ASP A 1 255 ? 0.031 19.130 14.607 1.00 12.94 ? 255 ASP E CB 1 ATOM 1876 C CG . ASP A 1 255 ? -0.607 18.964 13.286 1.00 18.26 ? 255 ASP E CG 1 ATOM 1877 O OD1 . ASP A 1 255 ? -1.299 19.898 12.807 1.00 25.14 ? 255 ASP E OD1 1 ATOM 1878 O OD2 . ASP A 1 255 ? -0.453 17.947 12.582 1.00 13.62 ? 255 ASP E OD2 1 ATOM 1879 N N . PHE A 1 256 ? 2.100 18.597 16.780 1.00 10.07 ? 256 PHE E N 1 ATOM 1880 C CA . PHE A 1 256 ? 2.819 19.064 17.950 1.00 8.99 ? 256 PHE E CA 1 ATOM 1881 C C . PHE A 1 256 ? 3.519 20.336 17.576 1.00 9.09 ? 256 PHE E C 1 ATOM 1882 O O . PHE A 1 256 ? 4.219 20.275 16.543 1.00 10.86 ? 256 PHE E O 1 ATOM 1883 C CB . PHE A 1 256 ? 3.778 17.964 18.466 1.00 9.54 ? 256 PHE E CB 1 ATOM 1884 C CG . PHE A 1 256 ? 4.550 18.406 19.679 1.00 10.35 ? 256 PHE E CG 1 ATOM 1885 C CD1 . PHE A 1 256 ? 5.815 18.958 19.509 1.00 8.42 ? 256 PHE E CD1 1 ATOM 1886 C CD2 . PHE A 1 256 ? 3.948 18.267 20.935 1.00 12.74 ? 256 PHE E CD2 1 ATOM 1887 C CE1 . PHE A 1 256 ? 6.494 19.419 20.642 1.00 9.11 ? 256 PHE E CE1 1 ATOM 1888 C CE2 . PHE A 1 256 ? 4.602 18.748 22.075 1.00 11.59 ? 256 PHE E CE2 1 ATOM 1889 C CZ . PHE A 1 256 ? 5.870 19.290 21.892 1.00 10.52 ? 256 PHE E CZ 1 ATOM 1890 N N . SER A 1 257 ? 3.433 21.425 18.267 1.00 8.28 ? 257 SER E N 1 ATOM 1891 C CA . SER A 1 257 ? 4.248 22.606 17.884 1.00 9.85 ? 257 SER E CA 1 ATOM 1892 C C . SER A 1 257 ? 4.849 23.220 19.122 1.00 9.28 ? 257 SER E C 1 ATOM 1893 O O . SER A 1 257 ? 4.351 23.006 20.269 1.00 8.62 ? 257 SER E O 1 ATOM 1894 C CB . SER A 1 257 ? 3.381 23.508 17.001 1.00 13.84 ? 257 SER E CB 1 ATOM 1895 O OG . SER A 1 257 ? 2.471 24.083 17.866 1.00 18.23 ? 257 SER E OG 1 ATOM 1896 N N . VAL A 1 258 ? 5.896 24.009 18.919 1.00 7.79 ? 258 VAL E N 1 ATOM 1897 C CA . VAL A 1 258 ? 6.525 24.780 20.004 1.00 9.25 ? 258 VAL E CA 1 ATOM 1898 C C . VAL A 1 258 ? 6.643 26.229 19.520 1.00 8.44 ? 258 VAL E C 1 ATOM 1899 O O . VAL A 1 258 ? 6.763 26.415 18.299 1.00 9.37 ? 258 VAL E O 1 ATOM 1900 C CB . VAL A 1 258 ? 7.873 24.222 20.461 1.00 8.26 ? 258 VAL E CB 1 ATOM 1901 C CG1 . VAL A 1 258 ? 7.604 22.857 21.110 1.00 8.72 ? 258 VAL E CG1 1 ATOM 1902 C CG2 . VAL A 1 258 ? 8.810 24.092 19.273 1.00 9.89 ? 258 VAL E CG2 1 ATOM 1903 N N . SER A 1 259 ? 6.604 27.138 20.472 1.00 9.29 ? 259 SER E N 1 ATOM 1904 C CA . SER A 1 259 ? 6.739 28.576 20.085 1.00 9.66 ? 259 SER E CA 1 ATOM 1905 C C . SER A 1 259 ? 8.131 28.953 20.476 1.00 10.82 ? 259 SER E C 1 ATOM 1906 O O . SER A 1 259 ? 8.482 28.803 21.697 1.00 11.96 ? 259 SER E O 1 ATOM 1907 C CB . SER A 1 259 ? 5.568 29.319 20.782 1.00 12.99 ? 259 SER E CB 1 ATOM 1908 O OG . SER A 1 259 ? 5.965 30.682 20.626 1.00 18.85 ? 259 SER E OG 1 ATOM 1909 N N . ILE A 1 260 ? 8.968 29.372 19.576 1.00 11.05 ? 260 ILE E N 1 ATOM 1910 C CA . ILE A 1 260 ? 10.376 29.724 19.817 1.00 12.73 ? 260 ILE E CA 1 ATOM 1911 C C . ILE A 1 260 ? 10.563 31.191 19.386 1.00 15.13 ? 260 ILE E C 1 ATOM 1912 O O . ILE A 1 260 ? 10.469 31.511 18.202 1.00 15.63 ? 260 ILE E O 1 ATOM 1913 C CB . ILE A 1 260 ? 11.316 28.846 18.920 1.00 15.20 ? 260 ILE E CB 1 ATOM 1914 C CG1 . ILE A 1 260 ? 11.122 27.324 19.210 1.00 16.16 ? 260 ILE E CG1 1 ATOM 1915 C CG2 . ILE A 1 260 ? 12.793 29.313 19.030 1.00 13.18 ? 260 ILE E CG2 1 ATOM 1916 C CD1 . ILE A 1 260 ? 11.605 26.388 18.040 1.00 16.51 ? 260 ILE E CD1 1 ATOM 1917 N N . SER A 1 261 ? 10.762 32.048 20.365 1.00 18.30 ? 261 SER E N 1 ATOM 1918 C CA . SER A 1 261 ? 10.941 33.500 20.098 1.00 19.05 ? 261 SER E CA 1 ATOM 1919 C C . SER A 1 261 ? 9.979 33.975 19.030 1.00 19.67 ? 261 SER E C 1 ATOM 1920 O O . SER A 1 261 ? 10.453 34.632 18.082 1.00 19.77 ? 261 SER E O 1 ATOM 1921 C CB . SER A 1 261 ? 12.404 33.827 19.739 1.00 20.17 ? 261 SER E CB 1 ATOM 1922 O OG . SER A 1 261 ? 13.236 33.412 20.849 1.00 24.18 ? 261 SER E OG 1 ATOM 1923 N N . GLY A 1 262 ? 8.706 33.701 19.093 1.00 19.17 ? 262 GLY E N 1 ATOM 1924 C CA . GLY A 1 262 ? 7.666 34.172 18.203 1.00 19.70 ? 262 GLY E CA 1 ATOM 1925 C C . GLY A 1 262 ? 7.260 33.338 17.036 1.00 21.12 ? 262 GLY E C 1 ATOM 1926 O O . GLY A 1 262 ? 6.185 33.428 16.421 1.00 23.60 ? 262 GLY E O 1 ATOM 1927 N N . TYR A 1 263 ? 8.143 32.394 16.722 1.00 18.23 ? 263 TYR E N 1 ATOM 1928 C CA . TYR A 1 263 ? 7.993 31.458 15.594 1.00 15.62 ? 263 TYR E CA 1 ATOM 1929 C C . TYR A 1 263 ? 7.398 30.131 16.125 1.00 14.72 ? 263 TYR E C 1 ATOM 1930 O O . TYR A 1 263 ? 7.875 29.670 17.174 1.00 15.48 ? 263 TYR E O 1 ATOM 1931 C CB . TYR A 1 263 ? 9.454 31.174 15.087 1.00 13.07 ? 263 TYR E CB 1 ATOM 1932 C CG . TYR A 1 263 ? 9.420 30.048 14.061 1.00 13.02 ? 263 TYR E CG 1 ATOM 1933 C CD1 . TYR A 1 263 ? 10.111 28.838 14.311 1.00 12.24 ? 263 TYR E CD1 1 ATOM 1934 C CD2 . TYR A 1 263 ? 8.722 30.123 12.878 1.00 14.20 ? 263 TYR E CD2 1 ATOM 1935 C CE1 . TYR A 1 263 ? 10.127 27.832 13.379 1.00 9.03 ? 263 TYR E CE1 1 ATOM 1936 C CE2 . TYR A 1 263 ? 8.704 29.096 11.944 1.00 14.60 ? 263 TYR E CE2 1 ATOM 1937 C CZ . TYR A 1 263 ? 9.438 27.928 12.196 1.00 10.80 ? 263 TYR E CZ 1 ATOM 1938 O OH . TYR A 1 263 ? 9.356 26.904 11.314 1.00 14.88 ? 263 TYR E OH 1 ATOM 1939 N N . THR A 1 264 ? 6.405 29.680 15.413 1.00 11.87 ? 264 THR E N 1 ATOM 1940 C CA . THR A 1 264 ? 5.808 28.398 15.792 1.00 12.35 ? 264 THR E CA 1 ATOM 1941 C C . THR A 1 264 ? 6.429 27.284 14.937 1.00 13.09 ? 264 THR E C 1 ATOM 1942 O O . THR A 1 264 ? 6.175 27.217 13.704 1.00 13.15 ? 264 THR E O 1 ATOM 1943 C CB . THR A 1 264 ? 4.247 28.401 15.607 1.00 17.66 ? 264 THR E CB 1 ATOM 1944 O OG1 . THR A 1 264 ? 3.761 29.515 16.407 1.00 16.33 ? 264 THR E OG1 1 ATOM 1945 C CG2 . THR A 1 264 ? 3.588 27.091 16.038 1.00 14.81 ? 264 THR E CG2 1 ATOM 1946 N N . ALA A 1 265 ? 7.143 26.389 15.573 1.00 10.72 ? 265 ALA E N 1 ATOM 1947 C CA . ALA A 1 265 ? 7.741 25.257 14.793 1.00 10.96 ? 265 ALA E CA 1 ATOM 1948 C C . ALA A 1 265 ? 6.743 24.126 14.897 1.00 10.23 ? 265 ALA E C 1 ATOM 1949 O O . ALA A 1 265 ? 6.547 23.632 16.006 1.00 11.13 ? 265 ALA E O 1 ATOM 1950 C CB . ALA A 1 265 ? 9.081 24.880 15.406 1.00 9.95 ? 265 ALA E CB 1 ATOM 1951 N N . THR A 1 266 ? 6.154 23.670 13.871 1.00 10.37 ? 266 THR E N 1 ATOM 1952 C CA . THR A 1 266 ? 5.145 22.618 13.892 1.00 9.31 ? 266 THR E CA 1 ATOM 1953 C C . THR A 1 266 ? 5.657 21.324 13.299 1.00 10.17 ? 266 THR E C 1 ATOM 1954 O O . THR A 1 266 ? 6.135 21.350 12.172 1.00 10.54 ? 266 THR E O 1 ATOM 1955 C CB . THR A 1 266 ? 3.843 23.094 13.113 1.00 12.45 ? 266 THR E CB 1 ATOM 1956 O OG1 . THR A 1 266 ? 3.320 24.272 13.843 1.00 15.06 ? 266 THR E OG1 1 ATOM 1957 C CG2 . THR A 1 266 ? 2.837 21.967 12.890 1.00 12.80 ? 266 THR E CG2 1 ATOM 1958 N N . VAL A 1 267 ? 5.478 20.282 14.080 1.00 9.73 ? 267 VAL E N 1 ATOM 1959 C CA . VAL A 1 267 ? 5.762 18.928 13.563 1.00 9.86 ? 267 VAL E CA 1 ATOM 1960 C C . VAL A 1 267 ? 4.382 18.338 13.204 1.00 11.22 ? 267 VAL E C 1 ATOM 1961 O O . VAL A 1 267 ? 3.558 18.071 14.114 1.00 11.47 ? 267 VAL E O 1 ATOM 1962 C CB . VAL A 1 267 ? 6.483 18.111 14.677 1.00 11.81 ? 267 VAL E CB 1 ATOM 1963 C CG1 . VAL A 1 267 ? 6.785 16.689 14.103 1.00 10.37 ? 267 VAL E CG1 1 ATOM 1964 C CG2 . VAL A 1 267 ? 7.681 18.809 15.270 1.00 10.67 ? 267 VAL E CG2 1 ATOM 1965 N N . PRO A 1 268 ? 4.090 18.099 11.942 1.00 11.65 ? 268 PRO E N 1 ATOM 1966 C CA . PRO A 1 268 ? 2.826 17.546 11.518 1.00 12.57 ? 268 PRO E CA 1 ATOM 1967 C C . PRO A 1 268 ? 2.607 16.158 12.061 1.00 10.99 ? 268 PRO E C 1 ATOM 1968 O O . PRO A 1 268 ? 3.597 15.421 12.200 1.00 10.84 ? 268 PRO E O 1 ATOM 1969 C CB . PRO A 1 268 ? 2.824 17.636 10.013 1.00 13.22 ? 268 PRO E CB 1 ATOM 1970 C CG . PRO A 1 268 ? 4.198 18.039 9.625 1.00 15.78 ? 268 PRO E CG 1 ATOM 1971 C CD . PRO A 1 268 ? 5.029 18.369 10.804 1.00 13.63 ? 268 PRO E CD 1 ATOM 1972 N N . GLY A 1 269 ? 1.385 15.805 12.350 1.00 10.87 ? 269 GLY E N 1 ATOM 1973 C CA . GLY A 1 269 ? 1.099 14.461 12.855 1.00 10.92 ? 269 GLY E CA 1 ATOM 1974 C C . GLY A 1 269 ? 1.640 13.363 11.935 1.00 12.80 ? 269 GLY E C 1 ATOM 1975 O O . GLY A 1 269 ? 2.067 12.350 12.492 1.00 13.33 ? 269 GLY E O 1 ATOM 1976 N N . SER A 1 270 ? 1.713 13.507 10.632 1.00 13.89 ? 270 SER E N 1 ATOM 1977 C CA . SER A 1 270 ? 2.225 12.406 9.790 1.00 14.32 ? 270 SER E CA 1 ATOM 1978 C C . SER A 1 270 ? 3.686 12.099 10.118 1.00 14.04 ? 270 SER E C 1 ATOM 1979 O O . SER A 1 270 ? 4.057 10.913 10.001 1.00 14.70 ? 270 SER E O 1 ATOM 1980 C CB . SER A 1 270 ? 2.048 12.785 8.325 1.00 19.03 ? 270 SER E CB 1 ATOM 1981 O OG . SER A 1 270 ? 2.501 14.091 8.114 1.00 27.92 ? 270 SER E OG 1 ATOM 1982 N N . LEU A 1 271 ? 4.476 13.053 10.540 1.00 10.91 ? 271 LEU E N 1 ATOM 1983 C CA . LEU A 1 271 ? 5.873 12.819 10.911 1.00 9.47 ? 271 LEU E CA 1 ATOM 1984 C C . LEU A 1 271 ? 6.001 12.190 12.274 1.00 11.85 ? 271 LEU E C 1 ATOM 1985 O O . LEU A 1 271 ? 7.078 11.617 12.536 1.00 13.81 ? 271 LEU E O 1 ATOM 1986 C CB . LEU A 1 271 ? 6.620 14.151 10.782 1.00 15.33 ? 271 LEU E CB 1 ATOM 1987 C CG . LEU A 1 271 ? 6.979 14.792 9.475 1.00 16.88 ? 271 LEU E CG 1 ATOM 1988 C CD1 . LEU A 1 271 ? 8.087 15.863 9.762 1.00 17.43 ? 271 LEU E CD1 1 ATOM 1989 C CD2 . LEU A 1 271 ? 7.566 13.759 8.541 1.00 19.78 ? 271 LEU E CD2 1 ATOM 1990 N N . ILE A 1 272 ? 5.020 12.195 13.128 1.00 10.19 ? 272 ILE E N 1 ATOM 1991 C CA . ILE A 1 272 ? 5.070 11.574 14.456 1.00 11.26 ? 272 ILE E CA 1 ATOM 1992 C C . ILE A 1 272 ? 4.820 10.079 14.369 1.00 12.13 ? 272 ILE E C 1 ATOM 1993 O O . ILE A 1 272 ? 4.986 9.333 15.341 1.00 13.21 ? 272 ILE E O 1 ATOM 1994 C CB . ILE A 1 272 ? 4.188 12.373 15.483 1.00 12.49 ? 272 ILE E CB 1 ATOM 1995 C CG1 . ILE A 1 272 ? 4.664 13.871 15.561 1.00 12.28 ? 272 ILE E CG1 1 ATOM 1996 C CG2 . ILE A 1 272 ? 4.149 11.723 16.869 1.00 11.96 ? 272 ILE E CG2 1 ATOM 1997 C CD1 . ILE A 1 272 ? 3.622 14.826 16.266 1.00 11.87 ? 272 ILE E CD1 1 ATOM 1998 N N . ASN A 1 273 ? 4.418 9.606 13.199 1.00 12.04 ? 273 ASN E N 1 ATOM 1999 C CA . ASN A 1 273 ? 4.261 8.122 12.997 1.00 11.80 ? 273 ASN E CA 1 ATOM 2000 C C . ASN A 1 273 ? 5.687 7.688 12.590 1.00 11.45 ? 273 ASN E C 1 ATOM 2001 O O . ASN A 1 273 ? 5.999 7.889 11.374 1.00 13.90 ? 273 ASN E O 1 ATOM 2002 C CB . ASN A 1 273 ? 3.162 7.848 11.999 1.00 15.02 ? 273 ASN E CB 1 ATOM 2003 C CG . ASN A 1 273 ? 3.017 6.322 11.788 1.00 16.06 ? 273 ASN E CG 1 ATOM 2004 O OD1 . ASN A 1 273 ? 3.871 5.541 12.192 1.00 15.29 ? 273 ASN E OD1 1 ATOM 2005 N ND2 . ASN A 1 273 ? 1.926 5.898 11.169 1.00 19.10 ? 273 ASN E ND2 1 ATOM 2006 N N . TYR A 1 274 ? 6.464 7.196 13.517 1.00 9.17 ? 274 TYR E N 1 ATOM 2007 C CA . TYR A 1 274 ? 7.858 6.829 13.210 1.00 10.66 ? 274 TYR E CA 1 ATOM 2008 C C . TYR A 1 274 ? 7.955 5.704 12.182 1.00 12.69 ? 274 TYR E C 1 ATOM 2009 O O . TYR A 1 274 ? 8.788 5.702 11.236 1.00 15.71 ? 274 TYR E O 1 ATOM 2010 C CB . TYR A 1 274 ? 8.603 6.542 14.515 1.00 10.66 ? 274 TYR E CB 1 ATOM 2011 C CG . TYR A 1 274 ? 9.945 5.845 14.361 1.00 13.49 ? 274 TYR E CG 1 ATOM 2012 C CD1 . TYR A 1 274 ? 11.045 6.614 13.944 1.00 15.74 ? 274 TYR E CD1 1 ATOM 2013 C CD2 . TYR A 1 274 ? 10.156 4.491 14.599 1.00 15.52 ? 274 TYR E CD2 1 ATOM 2014 C CE1 . TYR A 1 274 ? 12.294 6.007 13.804 1.00 12.56 ? 274 TYR E CE1 1 ATOM 2015 C CE2 . TYR A 1 274 ? 11.395 3.865 14.426 1.00 16.53 ? 274 TYR E CE2 1 ATOM 2016 C CZ . TYR A 1 274 ? 12.474 4.682 14.069 1.00 15.11 ? 274 TYR E CZ 1 ATOM 2017 O OH . TYR A 1 274 ? 13.742 4.153 13.885 1.00 19.17 ? 274 TYR E OH 1 ATOM 2018 N N . GLY A 1 275 ? 7.110 4.696 12.390 1.00 12.58 ? 275 GLY E N 1 ATOM 2019 C CA . GLY A 1 275 ? 7.129 3.531 11.521 1.00 15.43 ? 275 GLY E CA 1 ATOM 2020 C C . GLY A 1 275 ? 6.656 2.350 12.341 1.00 17.93 ? 275 GLY E C 1 ATOM 2021 O O . GLY A 1 275 ? 6.268 2.433 13.484 1.00 15.32 ? 275 GLY E O 1 ATOM 2022 N N . PRO A 1 276 ? 6.773 1.227 11.648 1.00 22.47 ? 276 PRO E N 1 ATOM 2023 C CA . PRO A 1 276 ? 6.310 -0.084 12.215 1.00 23.45 ? 276 PRO E CA 1 ATOM 2024 C C . PRO A 1 276 ? 6.996 -0.331 13.500 1.00 24.05 ? 276 PRO E C 1 ATOM 2025 O O . PRO A 1 276 ? 8.220 -0.128 13.489 1.00 26.92 ? 276 PRO E O 1 ATOM 2026 C CB . PRO A 1 276 ? 6.612 -1.065 11.102 1.00 25.96 ? 276 PRO E CB 1 ATOM 2027 C CG . PRO A 1 276 ? 7.795 -0.385 10.400 1.00 26.67 ? 276 PRO E CG 1 ATOM 2028 C CD . PRO A 1 276 ? 7.273 1.059 10.262 1.00 24.27 ? 276 PRO E CD 1 ATOM 2029 N N . SER A 1 277 ? 6.266 -0.716 14.513 1.00 25.83 ? 277 SER E N 1 ATOM 2030 C CA . SER A 1 277 ? 6.896 -0.902 15.830 1.00 29.21 ? 277 SER E CA 1 ATOM 2031 C C . SER A 1 277 ? 7.731 -2.183 15.793 1.00 33.94 ? 277 SER E C 1 ATOM 2032 O O . SER A 1 277 ? 8.590 -2.281 16.681 1.00 34.56 ? 277 SER E O 1 ATOM 2033 C CB . SER A 1 277 ? 5.849 -0.957 16.911 1.00 25.13 ? 277 SER E CB 1 ATOM 2034 O OG . SER A 1 277 ? 5.236 -2.216 16.724 1.00 22.86 ? 277 SER E OG 1 ATOM 2035 N N . GLY A 1 278 ? 7.463 -3.045 14.824 1.00 38.09 ? 278 GLY E N 1 ATOM 2036 C CA . GLY A 1 278 ? 8.165 -4.319 14.728 1.00 42.31 ? 278 GLY E CA 1 ATOM 2037 C C . GLY A 1 278 ? 7.620 -5.297 15.776 1.00 47.12 ? 278 GLY E C 1 ATOM 2038 O O . GLY A 1 278 ? 8.106 -6.436 15.946 1.00 48.57 ? 278 GLY E O 1 ATOM 2039 N N . ASP A 1 279 ? 6.633 -4.827 16.520 1.00 48.90 ? 279 ASP E N 1 ATOM 2040 C CA . ASP A 1 279 ? 5.907 -5.566 17.566 1.00 49.49 ? 279 ASP E CA 1 ATOM 2041 C C . ASP A 1 279 ? 4.464 -5.752 17.005 1.00 48.56 ? 279 ASP E C 1 ATOM 2042 O O . ASP A 1 279 ? 3.447 -5.095 17.304 1.00 48.91 ? 279 ASP E O 1 ATOM 2043 C CB . ASP A 1 279 ? 5.965 -5.035 18.996 1.00 51.34 ? 279 ASP E CB 1 ATOM 2044 C CG . ASP A 1 279 ? 5.611 -6.083 20.046 1.00 55.08 ? 279 ASP E CG 1 ATOM 2045 O OD1 . ASP A 1 279 ? 5.954 -7.293 19.934 1.00 58.44 ? 279 ASP E OD1 1 ATOM 2046 O OD2 . ASP A 1 279 ? 4.896 -5.776 21.131 1.00 54.36 ? 279 ASP E OD2 1 ATOM 2047 N N . GLY A 1 280 ? 4.469 -6.726 16.103 1.00 46.98 ? 280 GLY E N 1 ATOM 2048 C CA . GLY A 1 280 ? 3.210 -7.104 15.419 1.00 44.82 ? 280 GLY E CA 1 ATOM 2049 C C . GLY A 1 280 ? 3.010 -5.979 14.385 1.00 42.15 ? 280 GLY E C 1 ATOM 2050 O O . GLY A 1 280 ? 3.904 -5.535 13.671 1.00 43.93 ? 280 GLY E O 1 ATOM 2051 N N . SER A 1 281 ? 1.816 -5.516 14.378 1.00 37.95 ? 281 SER E N 1 ATOM 2052 C CA . SER A 1 281 ? 1.078 -4.579 13.610 1.00 33.82 ? 281 SER E CA 1 ATOM 2053 C C . SER A 1 281 ? 0.792 -3.156 14.061 1.00 29.87 ? 281 SER E C 1 ATOM 2054 O O . SER A 1 281 ? -0.159 -2.542 13.536 1.00 31.63 ? 281 SER E O 1 ATOM 2055 C CB . SER A 1 281 ? -0.329 -5.272 13.680 1.00 38.42 ? 281 SER E CB 1 ATOM 2056 O OG . SER A 1 281 ? -0.381 -5.594 15.120 1.00 42.34 ? 281 SER E OG 1 ATOM 2057 N N . THR A 1 282 ? 1.519 -2.619 15.022 1.00 23.63 ? 282 THR E N 1 ATOM 2058 C CA . THR A 1 282 ? 1.286 -1.247 15.480 1.00 17.22 ? 282 THR E CA 1 ATOM 2059 C C . THR A 1 282 ? 2.462 -0.422 14.966 1.00 13.92 ? 282 THR E C 1 ATOM 2060 O O . THR A 1 282 ? 3.391 -1.033 14.413 1.00 14.72 ? 282 THR E O 1 ATOM 2061 C CB . THR A 1 282 ? 1.242 -1.150 17.037 1.00 19.62 ? 282 THR E CB 1 ATOM 2062 O OG1 . THR A 1 282 ? 2.496 -1.790 17.460 1.00 18.36 ? 282 THR E OG1 1 ATOM 2063 C CG2 . THR A 1 282 ? -0.040 -1.809 17.571 1.00 19.37 ? 282 THR E CG2 1 ATOM 2064 N N . CYS A 1 283 ? 2.364 0.848 15.210 1.00 13.44 ? 283 CYS E N 1 ATOM 2065 C CA . CYS A 1 283 ? 3.452 1.753 14.741 1.00 12.75 ? 283 CYS E CA 1 ATOM 2066 C C . CYS A 1 283 ? 4.035 2.410 15.982 1.00 12.60 ? 283 CYS E C 1 ATOM 2067 O O . CYS A 1 283 ? 3.236 2.586 16.901 1.00 10.16 ? 283 CYS E O 1 ATOM 2068 C CB . CYS A 1 283 ? 2.803 2.765 13.813 1.00 14.67 ? 283 CYS E CB 1 ATOM 2069 S SG . CYS A 1 283 ? 2.926 2.305 12.076 1.00 14.91 ? 283 CYS E SG 1 ATOM 2070 N N . LEU A 1 284 ? 5.295 2.804 15.986 1.00 10.89 ? 284 LEU E N 1 ATOM 2071 C CA . LEU A 1 284 ? 5.866 3.464 17.184 1.00 10.18 ? 284 LEU E CA 1 ATOM 2072 C C . LEU A 1 284 ? 5.654 4.981 17.049 1.00 9.33 ? 284 LEU E C 1 ATOM 2073 O O . LEU A 1 284 ? 5.818 5.474 15.932 1.00 10.49 ? 284 LEU E O 1 ATOM 2074 C CB . LEU A 1 284 ? 7.369 3.060 17.194 1.00 9.50 ? 284 LEU E CB 1 ATOM 2075 C CG . LEU A 1 284 ? 8.168 3.619 18.358 1.00 14.46 ? 284 LEU E CG 1 ATOM 2076 C CD1 . LEU A 1 284 ? 7.753 3.033 19.689 1.00 12.54 ? 284 LEU E CD1 1 ATOM 2077 C CD2 . LEU A 1 284 ? 9.659 3.485 18.169 1.00 16.76 ? 284 LEU E CD2 1 ATOM 2078 N N . GLY A 1 285 ? 5.317 5.701 18.102 1.00 7.61 ? 285 GLY E N 1 ATOM 2079 C CA . GLY A 1 285 ? 5.154 7.143 18.004 1.00 6.20 ? 285 GLY E CA 1 ATOM 2080 C C . GLY A 1 285 ? 6.534 7.791 18.002 1.00 6.49 ? 285 GLY E C 1 ATOM 2081 O O . GLY A 1 285 ? 7.481 7.312 18.653 1.00 8.00 ? 285 GLY E O 1 ATOM 2082 N N . GLY A 1 286 ? 6.557 8.956 17.357 1.00 6.21 ? 286 GLY E N 1 ATOM 2083 C CA . GLY A 1 286 ? 7.834 9.737 17.282 1.00 7.11 ? 286 GLY E CA 1 ATOM 2084 C C . GLY A 1 286 ? 8.079 10.522 18.571 1.00 7.66 ? 286 GLY E C 1 ATOM 2085 O O . GLY A 1 286 ? 9.183 11.052 18.718 1.00 8.09 ? 286 GLY E O 1 ATOM 2086 N N . ILE A 1 287 ? 7.103 10.683 19.433 1.00 7.57 ? 287 ILE E N 1 ATOM 2087 C CA . ILE A 1 287 ? 7.252 11.337 20.732 1.00 8.01 ? 287 ILE E CA 1 ATOM 2088 C C . ILE A 1 287 ? 7.385 10.271 21.807 1.00 7.34 ? 287 ILE E C 1 ATOM 2089 O O . ILE A 1 287 ? 6.524 9.408 21.862 1.00 7.23 ? 287 ILE E O 1 ATOM 2090 C CB . ILE A 1 287 ? 6.045 12.294 20.986 1.00 8.62 ? 287 ILE E CB 1 ATOM 2091 C CG1 . ILE A 1 287 ? 6.138 13.488 20.042 1.00 8.53 ? 287 ILE E CG1 1 ATOM 2092 C CG2 . ILE A 1 287 ? 5.973 12.740 22.484 1.00 9.90 ? 287 ILE E CG2 1 ATOM 2093 C CD1 . ILE A 1 287 ? 4.888 14.396 20.143 1.00 8.51 ? 287 ILE E CD1 1 ATOM 2094 N N . GLN A 1 288 ? 8.422 10.338 22.633 1.00 6.65 ? 288 GLN E N 1 ATOM 2095 C CA . GLN A 1 288 ? 8.597 9.319 23.729 1.00 8.27 ? 288 GLN E CA 1 ATOM 2096 C C . GLN A 1 288 ? 9.171 10.094 24.894 1.00 8.53 ? 288 GLN E C 1 ATOM 2097 O O . GLN A 1 288 ? 9.560 11.271 24.809 1.00 8.40 ? 288 GLN E O 1 ATOM 2098 C CB . GLN A 1 288 ? 9.457 8.105 23.375 1.00 8.68 ? 288 GLN E CB 1 ATOM 2099 C CG . GLN A 1 288 ? 8.924 7.336 22.151 1.00 8.65 ? 288 GLN E CG 1 ATOM 2100 C CD . GLN A 1 288 ? 7.615 6.612 22.356 1.00 9.57 ? 288 GLN E CD 1 ATOM 2101 O OE1 . GLN A 1 288 ? 7.198 6.417 23.498 1.00 11.58 ? 288 GLN E OE1 1 ATOM 2102 N NE2 . GLN A 1 288 ? 6.992 6.253 21.243 1.00 7.73 ? 288 GLN E NE2 1 ATOM 2103 N N . SER A 1 289 ? 9.217 9.434 26.026 1.00 9.70 ? 289 SER E N 1 ATOM 2104 C CA . SER A 1 289 ? 9.722 10.062 27.288 1.00 9.50 ? 289 SER E CA 1 ATOM 2105 C C . SER A 1 289 ? 11.203 10.322 27.260 1.00 10.39 ? 289 SER E C 1 ATOM 2106 O O . SER A 1 289 ? 11.982 9.536 26.709 1.00 9.94 ? 289 SER E O 1 ATOM 2107 C CB . SER A 1 289 ? 9.350 9.076 28.385 1.00 13.33 ? 289 SER E CB 1 ATOM 2108 O OG . SER A 1 289 ? 10.113 9.228 29.542 1.00 16.30 ? 289 SER E OG 1 ATOM 2109 N N . ASN A 1 290 ? 11.648 11.384 27.942 1.00 11.07 ? 290 ASN E N 1 ATOM 2110 C CA . ASN A 1 290 ? 13.024 11.711 28.166 1.00 8.50 ? 290 ASN E CA 1 ATOM 2111 C C . ASN A 1 290 ? 13.581 11.131 29.454 1.00 10.26 ? 290 ASN E C 1 ATOM 2112 O O . ASN A 1 290 ? 14.715 11.385 29.838 1.00 11.90 ? 290 ASN E O 1 ATOM 2113 C CB . ASN A 1 290 ? 13.247 13.243 28.131 1.00 10.38 ? 290 ASN E CB 1 ATOM 2114 C CG . ASN A 1 290 ? 12.528 13.967 29.243 1.00 11.48 ? 290 ASN E CG 1 ATOM 2115 O OD1 . ASN A 1 290 ? 11.919 13.268 30.132 1.00 11.72 ? 290 ASN E OD1 1 ATOM 2116 N ND2 . ASN A 1 290 ? 12.440 15.288 29.230 1.00 10.01 ? 290 ASN E ND2 1 ATOM 2117 N N . SER A 1 291 ? 12.841 10.237 30.136 1.00 13.14 ? 291 SER E N 1 ATOM 2118 C CA . SER A 1 291 ? 13.264 9.548 31.325 1.00 12.05 ? 291 SER E CA 1 ATOM 2119 C C . SER A 1 291 ? 13.540 10.423 32.552 1.00 14.03 ? 291 SER E C 1 ATOM 2120 O O . SER A 1 291 ? 14.378 9.990 33.364 1.00 12.55 ? 291 SER E O 1 ATOM 2121 C CB . SER A 1 291 ? 14.522 8.702 31.112 1.00 17.38 ? 291 SER E CB 1 ATOM 2122 O OG . SER A 1 291 ? 14.244 7.803 30.048 1.00 22.20 ? 291 SER E OG 1 ATOM 2123 N N . GLY A 1 292 ? 12.881 11.552 32.611 1.00 12.51 ? 292 GLY E N 1 ATOM 2124 C CA . GLY A 1 292 ? 13.037 12.452 33.748 1.00 10.60 ? 292 GLY E CA 1 ATOM 2125 C C . GLY A 1 292 ? 14.314 13.201 33.783 1.00 11.47 ? 292 GLY E C 1 ATOM 2126 O O . GLY A 1 292 ? 14.660 13.666 34.896 1.00 13.68 ? 292 GLY E O 1 ATOM 2127 N N . ILE A 1 293 ? 15.018 13.397 32.697 1.00 8.58 ? 293 ILE E N 1 ATOM 2128 C CA . ILE A 1 293 ? 16.262 14.179 32.759 1.00 13.15 ? 293 ILE E CA 1 ATOM 2129 C C . ILE A 1 293 ? 16.126 15.682 32.944 1.00 12.56 ? 293 ILE E C 1 ATOM 2130 O O . ILE A 1 293 ? 17.187 16.284 33.229 1.00 15.81 ? 293 ILE E O 1 ATOM 2131 C CB . ILE A 1 293 ? 17.238 13.861 31.574 1.00 15.17 ? 293 ILE E CB 1 ATOM 2132 C CG1 . ILE A 1 293 ? 16.561 14.253 30.259 1.00 14.08 ? 293 ILE E CG1 1 ATOM 2133 C CG2 . ILE A 1 293 ? 17.775 12.434 31.594 1.00 20.00 ? 293 ILE E CG2 1 ATOM 2134 C CD1 . ILE A 1 293 ? 17.567 14.167 29.087 1.00 18.26 ? 293 ILE E CD1 1 ATOM 2135 N N . GLY A 1 294 ? 15.014 16.300 32.824 1.00 10.50 ? 294 GLY E N 1 ATOM 2136 C CA . GLY A 1 294 ? 14.931 17.764 33.095 1.00 10.94 ? 294 GLY E CA 1 ATOM 2137 C C . GLY A 1 294 ? 15.023 18.636 31.929 1.00 10.88 ? 294 GLY E C 1 ATOM 2138 O O . GLY A 1 294 ? 14.932 19.851 32.159 1.00 12.31 ? 294 GLY E O 1 ATOM 2139 N N . PHE A 1 295 ? 15.185 18.116 30.699 1.00 9.14 ? 295 PHE E N 1 ATOM 2140 C CA . PHE A 1 295 ? 15.257 18.965 29.486 1.00 7.23 ? 295 PHE E CA 1 ATOM 2141 C C . PHE A 1 295 ? 14.867 18.041 28.324 1.00 8.04 ? 295 PHE E C 1 ATOM 2142 O O . PHE A 1 295 ? 14.908 16.822 28.508 1.00 8.23 ? 295 PHE E O 1 ATOM 2143 C CB . PHE A 1 295 ? 16.585 19.669 29.292 1.00 8.72 ? 295 PHE E CB 1 ATOM 2144 C CG . PHE A 1 295 ? 17.773 18.717 29.158 1.00 9.25 ? 295 PHE E CG 1 ATOM 2145 C CD1 . PHE A 1 295 ? 18.427 18.271 30.307 1.00 9.55 ? 295 PHE E CD1 1 ATOM 2146 C CD2 . PHE A 1 295 ? 18.140 18.320 27.887 1.00 7.70 ? 295 PHE E CD2 1 ATOM 2147 C CE1 . PHE A 1 295 ? 19.518 17.417 30.170 1.00 10.64 ? 295 PHE E CE1 1 ATOM 2148 C CE2 . PHE A 1 295 ? 19.256 17.482 27.758 1.00 10.88 ? 295 PHE E CE2 1 ATOM 2149 C CZ . PHE A 1 295 ? 19.906 17.012 28.908 1.00 10.09 ? 295 PHE E CZ 1 ATOM 2150 N N . SER A 1 296 ? 14.381 18.640 27.254 1.00 6.27 ? 296 SER E N 1 ATOM 2151 C CA . SER A 1 296 ? 13.857 17.880 26.097 1.00 6.45 ? 296 SER E CA 1 ATOM 2152 C C . SER A 1 296 ? 14.936 17.734 25.021 1.00 6.67 ? 296 SER E C 1 ATOM 2153 O O . SER A 1 296 ? 15.920 18.442 24.953 1.00 7.35 ? 296 SER E O 1 ATOM 2154 C CB . SER A 1 296 ? 12.642 18.602 25.524 1.00 7.15 ? 296 SER E CB 1 ATOM 2155 O OG . SER A 1 296 ? 11.632 18.471 26.549 1.00 9.01 ? 296 SER E OG 1 ATOM 2156 N N . ILE A 1 297 ? 14.778 16.618 24.288 1.00 7.09 ? 297 ILE E N 1 ATOM 2157 C CA . ILE A 1 297 ? 15.752 16.277 23.199 1.00 7.42 ? 297 ILE E CA 1 ATOM 2158 C C . ILE A 1 297 ? 14.996 16.411 21.874 1.00 7.87 ? 297 ILE E C 1 ATOM 2159 O O . ILE A 1 297 ? 14.078 15.636 21.563 1.00 7.58 ? 297 ILE E O 1 ATOM 2160 C CB . ILE A 1 297 ? 16.378 14.870 23.351 1.00 7.56 ? 297 ILE E CB 1 ATOM 2161 C CG1 . ILE A 1 297 ? 17.238 14.850 24.654 1.00 13.76 ? 297 ILE E CG1 1 ATOM 2162 C CG2 . ILE A 1 297 ? 17.368 14.628 22.149 1.00 8.72 ? 297 ILE E CG2 1 ATOM 2163 C CD1 . ILE A 1 297 ? 16.534 14.248 25.852 1.00 19.18 ? 297 ILE E CD1 1 ATOM 2164 N N . PHE A 1 298 ? 15.336 17.507 21.158 1.00 6.22 ? 298 PHE E N 1 ATOM 2165 C CA . PHE A 1 298 ? 14.700 17.784 19.872 1.00 8.18 ? 298 PHE E CA 1 ATOM 2166 C C . PHE A 1 298 ? 15.499 17.003 18.808 1.00 7.52 ? 298 PHE E C 1 ATOM 2167 O O . PHE A 1 298 ? 16.392 17.544 18.157 1.00 7.52 ? 298 PHE E O 1 ATOM 2168 C CB . PHE A 1 298 ? 14.686 19.297 19.598 1.00 7.15 ? 298 PHE E CB 1 ATOM 2169 C CG . PHE A 1 298 ? 13.655 19.983 20.456 1.00 9.14 ? 298 PHE E CG 1 ATOM 2170 C CD1 . PHE A 1 298 ? 14.045 20.579 21.627 1.00 13.47 ? 298 PHE E CD1 1 ATOM 2171 C CD2 . PHE A 1 298 ? 12.357 20.153 20.024 1.00 11.98 ? 298 PHE E CD2 1 ATOM 2172 C CE1 . PHE A 1 298 ? 13.154 21.296 22.437 1.00 14.44 ? 298 PHE E CE1 1 ATOM 2173 C CE2 . PHE A 1 298 ? 11.365 20.783 20.845 1.00 10.00 ? 298 PHE E CE2 1 ATOM 2174 C CZ . PHE A 1 298 ? 11.867 21.366 22.017 1.00 13.74 ? 298 PHE E CZ 1 ATOM 2175 N N . GLY A 1 299 ? 15.176 15.717 18.657 1.00 5.92 ? 299 GLY E N 1 ATOM 2176 C CA . GLY A 1 299 ? 15.790 14.774 17.775 1.00 5.64 ? 299 GLY E CA 1 ATOM 2177 C C . GLY A 1 299 ? 15.215 14.795 16.373 1.00 6.82 ? 299 GLY E C 1 ATOM 2178 O O . GLY A 1 299 ? 14.521 15.750 15.947 1.00 6.46 ? 299 GLY E O 1 ATOM 2179 N N . ASP A 1 300 ? 15.532 13.771 15.593 1.00 6.22 ? 300 ASP E N 1 ATOM 2180 C CA . ASP A 1 300 ? 15.219 13.768 14.185 1.00 4.48 ? 300 ASP E CA 1 ATOM 2181 C C . ASP A 1 300 ? 13.776 13.960 13.873 1.00 6.43 ? 300 ASP E C 1 ATOM 2182 O O . ASP A 1 300 ? 13.565 14.499 12.740 1.00 6.20 ? 300 ASP E O 1 ATOM 2183 C CB . ASP A 1 300 ? 15.747 12.449 13.562 1.00 6.08 ? 300 ASP E CB 1 ATOM 2184 C CG . ASP A 1 300 ? 17.240 12.308 13.757 1.00 6.95 ? 300 ASP E CG 1 ATOM 2185 O OD1 . ASP A 1 300 ? 17.785 11.221 13.632 1.00 7.68 ? 300 ASP E OD1 1 ATOM 2186 O OD2 . ASP A 1 300 ? 18.011 13.288 13.930 1.00 8.03 ? 300 ASP E OD2 1 ATOM 2187 N N . ILE A 1 301 ? 12.882 13.433 14.669 1.00 5.94 ? 301 ILE E N 1 ATOM 2188 C CA . ILE A 1 301 ? 11.416 13.591 14.372 1.00 6.26 ? 301 ILE E CA 1 ATOM 2189 C C . ILE A 1 301 ? 11.102 15.087 14.188 1.00 6.98 ? 301 ILE E C 1 ATOM 2190 O O . ILE A 1 301 ? 10.339 15.440 13.284 1.00 6.96 ? 301 ILE E O 1 ATOM 2191 C CB . ILE A 1 301 ? 10.557 12.936 15.525 1.00 4.61 ? 301 ILE E CB 1 ATOM 2192 C CG1 . ILE A 1 301 ? 10.682 11.379 15.435 1.00 6.29 ? 301 ILE E CG1 1 ATOM 2193 C CG2 . ILE A 1 301 ? 9.077 13.406 15.493 1.00 7.58 ? 301 ILE E CG2 1 ATOM 2194 C CD1 . ILE A 1 301 ? 10.010 10.769 14.203 1.00 7.10 ? 301 ILE E CD1 1 ATOM 2195 N N . PHE A 1 302 ? 11.659 15.868 15.084 1.00 6.87 ? 302 PHE E N 1 ATOM 2196 C CA . PHE A 1 302 ? 11.450 17.335 15.083 1.00 8.32 ? 302 PHE E CA 1 ATOM 2197 C C . PHE A 1 302 ? 12.198 17.963 13.932 1.00 6.76 ? 302 PHE E C 1 ATOM 2198 O O . PHE A 1 302 ? 11.606 18.784 13.248 1.00 8.78 ? 302 PHE E O 1 ATOM 2199 C CB . PHE A 1 302 ? 11.829 17.983 16.431 1.00 9.00 ? 302 PHE E CB 1 ATOM 2200 C CG . PHE A 1 302 ? 11.807 19.509 16.438 1.00 7.19 ? 302 PHE E CG 1 ATOM 2201 C CD1 . PHE A 1 302 ? 10.589 20.170 16.619 1.00 9.43 ? 302 PHE E CD1 1 ATOM 2202 C CD2 . PHE A 1 302 ? 12.981 20.228 16.226 1.00 8.78 ? 302 PHE E CD2 1 ATOM 2203 C CE1 . PHE A 1 302 ? 10.574 21.566 16.556 1.00 11.30 ? 302 PHE E CE1 1 ATOM 2204 C CE2 . PHE A 1 302 ? 12.967 21.657 16.218 1.00 9.65 ? 302 PHE E CE2 1 ATOM 2205 C CZ . PHE A 1 302 ? 11.725 22.271 16.393 1.00 9.53 ? 302 PHE E CZ 1 ATOM 2206 N N . LEU A 1 303 ? 13.441 17.601 13.763 1.00 5.32 ? 303 LEU E N 1 ATOM 2207 C CA . LEU A 1 303 ? 14.299 18.211 12.729 1.00 6.58 ? 303 LEU E CA 1 ATOM 2208 C C . LEU A 1 303 ? 13.819 17.966 11.307 1.00 7.29 ? 303 LEU E C 1 ATOM 2209 O O . LEU A 1 303 ? 14.085 18.825 10.479 1.00 8.31 ? 303 LEU E O 1 ATOM 2210 C CB . LEU A 1 303 ? 15.775 17.839 12.933 1.00 8.25 ? 303 LEU E CB 1 ATOM 2211 C CG . LEU A 1 303 ? 16.370 18.182 14.289 1.00 9.38 ? 303 LEU E CG 1 ATOM 2212 C CD1 . LEU A 1 303 ? 17.714 17.465 14.371 1.00 11.28 ? 303 LEU E CD1 1 ATOM 2213 C CD2 . LEU A 1 303 ? 16.510 19.687 14.451 1.00 11.34 ? 303 LEU E CD2 1 ATOM 2214 N N . LYS A 1 304 ? 13.169 16.865 11.035 1.00 8.06 ? 304 LYS E N 1 ATOM 2215 C CA . LYS A 1 304 ? 12.617 16.565 9.711 1.00 9.85 ? 304 LYS E CA 1 ATOM 2216 C C . LYS A 1 304 ? 11.637 17.628 9.273 1.00 11.26 ? 304 LYS E C 1 ATOM 2217 O O . LYS A 1 304 ? 11.317 17.725 8.068 1.00 12.64 ? 304 LYS E O 1 ATOM 2218 C CB . LYS A 1 304 ? 11.864 15.190 9.689 1.00 8.71 ? 304 LYS E CB 1 ATOM 2219 C CG . LYS A 1 304 ? 12.924 14.074 9.507 1.00 10.28 ? 304 LYS E CG 1 ATOM 2220 C CD . LYS A 1 304 ? 12.067 12.774 9.521 1.00 10.16 ? 304 LYS E CD 1 ATOM 2221 C CE . LYS A 1 304 ? 12.471 11.978 10.727 1.00 10.04 ? 304 LYS E CE 1 ATOM 2222 N NZ . LYS A 1 304 ? 11.704 10.690 10.701 1.00 8.55 ? 304 LYS E NZ 1 ATOM 2223 N N . SER A 1 305 ? 11.135 18.452 10.166 1.00 8.62 ? 305 SER E N 1 ATOM 2224 C CA . SER A 1 305 ? 10.189 19.490 9.778 1.00 7.80 ? 305 SER E CA 1 ATOM 2225 C C . SER A 1 305 ? 10.835 20.830 9.518 1.00 9.10 ? 305 SER E C 1 ATOM 2226 O O . SER A 1 305 ? 10.113 21.703 8.969 1.00 11.35 ? 305 SER E O 1 ATOM 2227 C CB . SER A 1 305 ? 9.091 19.688 10.831 1.00 7.89 ? 305 SER E CB 1 ATOM 2228 O OG . SER A 1 305 ? 9.578 20.237 12.083 1.00 8.11 ? 305 SER E OG 1 ATOM 2229 N N . GLN A 1 306 ? 12.064 21.062 9.897 1.00 8.07 ? 306 GLN E N 1 ATOM 2230 C CA . GLN A 1 306 ? 12.698 22.344 9.877 1.00 8.44 ? 306 GLN E CA 1 ATOM 2231 C C . GLN A 1 306 ? 14.010 22.389 9.148 1.00 8.57 ? 306 GLN E C 1 ATOM 2232 O O . GLN A 1 306 ? 14.715 21.399 9.088 1.00 9.46 ? 306 GLN E O 1 ATOM 2233 C CB . GLN A 1 306 ? 13.070 22.732 11.352 1.00 8.96 ? 306 GLN E CB 1 ATOM 2234 C CG . GLN A 1 306 ? 11.900 22.704 12.344 1.00 10.24 ? 306 GLN E CG 1 ATOM 2235 C CD . GLN A 1 306 ? 10.801 23.700 12.115 1.00 10.74 ? 306 GLN E CD 1 ATOM 2236 O OE1 . GLN A 1 306 ? 11.050 24.899 11.996 1.00 13.99 ? 306 GLN E OE1 1 ATOM 2237 N NE2 . GLN A 1 306 ? 9.585 23.233 12.017 1.00 10.92 ? 306 GLN E NE2 1 ATOM 2238 N N . TYR A 1 307 ? 14.365 23.565 8.719 1.00 7.28 ? 307 TYR E N 1 ATOM 2239 C CA . TYR A 1 307 ? 15.750 23.801 8.229 1.00 7.41 ? 307 TYR E CA 1 ATOM 2240 C C . TYR A 1 307 ? 16.367 24.501 9.461 1.00 7.35 ? 307 TYR E C 1 ATOM 2241 O O . TYR A 1 307 ? 15.775 25.477 9.953 1.00 6.72 ? 307 TYR E O 1 ATOM 2242 C CB . TYR A 1 307 ? 15.844 24.766 7.070 1.00 6.84 ? 307 TYR E CB 1 ATOM 2243 C CG . TYR A 1 307 ? 17.231 25.007 6.513 1.00 6.73 ? 307 TYR E CG 1 ATOM 2244 C CD1 . TYR A 1 307 ? 17.783 26.262 6.638 1.00 6.08 ? 307 TYR E CD1 1 ATOM 2245 C CD2 . TYR A 1 307 ? 17.922 24.014 5.838 1.00 8.10 ? 307 TYR E CD2 1 ATOM 2246 C CE1 . TYR A 1 307 ? 19.020 26.539 6.082 1.00 6.85 ? 307 TYR E CE1 1 ATOM 2247 C CE2 . TYR A 1 307 ? 19.190 24.269 5.282 1.00 7.46 ? 307 TYR E CE2 1 ATOM 2248 C CZ . TYR A 1 307 ? 19.701 25.544 5.384 1.00 7.00 ? 307 TYR E CZ 1 ATOM 2249 O OH . TYR A 1 307 ? 20.921 25.819 4.828 1.00 8.53 ? 307 TYR E OH 1 ATOM 2250 N N . VAL A 1 308 ? 17.465 23.989 9.989 1.00 6.25 ? 308 VAL E N 1 ATOM 2251 C CA . VAL A 1 308 ? 18.001 24.591 11.217 1.00 6.61 ? 308 VAL E CA 1 ATOM 2252 C C . VAL A 1 308 ? 19.421 25.105 10.970 1.00 4.96 ? 308 VAL E C 1 ATOM 2253 O O . VAL A 1 308 ? 20.236 24.358 10.455 1.00 4.96 ? 308 VAL E O 1 ATOM 2254 C CB . VAL A 1 308 ? 17.973 23.565 12.384 1.00 8.14 ? 308 VAL E CB 1 ATOM 2255 C CG1 . VAL A 1 308 ? 18.429 24.161 13.722 1.00 8.13 ? 308 VAL E CG1 1 ATOM 2256 C CG2 . VAL A 1 308 ? 16.571 22.934 12.488 1.00 9.28 ? 308 VAL E CG2 1 ATOM 2257 N N . VAL A 1 309 ? 19.651 26.319 11.426 1.00 5.98 ? 309 VAL E N 1 ATOM 2258 C CA . VAL A 1 309 ? 20.988 26.947 11.294 1.00 5.58 ? 309 VAL E CA 1 ATOM 2259 C C . VAL A 1 309 ? 21.639 26.978 12.674 1.00 7.18 ? 309 VAL E C 1 ATOM 2260 O O . VAL A 1 309 ? 21.108 27.492 13.641 1.00 9.47 ? 309 VAL E O 1 ATOM 2261 C CB . VAL A 1 309 ? 20.893 28.379 10.708 1.00 7.68 ? 309 VAL E CB 1 ATOM 2262 C CG1 . VAL A 1 309 ? 22.239 29.057 10.671 1.00 8.05 ? 309 VAL E CG1 1 ATOM 2263 C CG2 . VAL A 1 309 ? 20.397 28.359 9.265 1.00 10.89 ? 309 VAL E CG2 1 ATOM 2264 N N . PHE A 1 310 ? 22.841 26.382 12.775 1.00 6.72 ? 310 PHE E N 1 ATOM 2265 C CA . PHE A 1 310 ? 23.660 26.328 13.988 1.00 6.62 ? 310 PHE E CA 1 ATOM 2266 C C . PHE A 1 310 ? 24.750 27.397 13.790 1.00 7.54 ? 310 PHE E C 1 ATOM 2267 O O . PHE A 1 310 ? 25.733 27.152 13.084 1.00 7.28 ? 310 PHE E O 1 ATOM 2268 C CB . PHE A 1 310 ? 24.246 24.931 14.131 1.00 6.72 ? 310 PHE E CB 1 ATOM 2269 C CG . PHE A 1 310 ? 23.253 23.835 14.386 1.00 6.33 ? 310 PHE E CG 1 ATOM 2270 C CD1 . PHE A 1 310 ? 22.501 23.322 13.323 1.00 6.94 ? 310 PHE E CD1 1 ATOM 2271 C CD2 . PHE A 1 310 ? 23.141 23.284 15.648 1.00 4.64 ? 310 PHE E CD2 1 ATOM 2272 C CE1 . PHE A 1 310 ? 21.558 22.284 13.554 1.00 8.33 ? 310 PHE E CE1 1 ATOM 2273 C CE2 . PHE A 1 310 ? 22.192 22.267 15.898 1.00 6.38 ? 310 PHE E CE2 1 ATOM 2274 C CZ . PHE A 1 310 ? 21.426 21.753 14.848 1.00 8.87 ? 310 PHE E CZ 1 ATOM 2275 N N . ASP A 1 311 ? 24.522 28.542 14.466 1.00 8.19 ? 311 ASP E N 1 ATOM 2276 C CA . ASP A 1 311 ? 25.483 29.695 14.246 1.00 7.54 ? 311 ASP E CA 1 ATOM 2277 C C . ASP A 1 311 ? 26.354 29.887 15.469 1.00 8.32 ? 311 ASP E C 1 ATOM 2278 O O . ASP A 1 311 ? 25.826 30.121 16.567 1.00 8.21 ? 311 ASP E O 1 ATOM 2279 C CB . ASP A 1 311 ? 24.528 30.846 13.908 1.00 8.93 ? 311 ASP E CB 1 ATOM 2280 C CG . ASP A 1 311 ? 25.294 32.088 13.512 1.00 12.89 ? 311 ASP E CG 1 ATOM 2281 O OD1 . ASP A 1 311 ? 26.516 32.186 13.574 1.00 11.79 ? 311 ASP E OD1 1 ATOM 2282 O OD2 . ASP A 1 311 ? 24.532 33.004 13.069 1.00 15.33 ? 311 ASP E OD2 1 ATOM 2283 N N . SER A 1 312 ? 27.642 29.835 15.292 1.00 6.45 ? 312 SER E N 1 ATOM 2284 C CA . SER A 1 312 ? 28.582 30.005 16.399 1.00 10.69 ? 312 SER E CA 1 ATOM 2285 C C . SER A 1 312 ? 28.556 31.447 16.860 1.00 10.38 ? 312 SER E C 1 ATOM 2286 O O . SER A 1 312 ? 29.038 31.624 17.966 1.00 13.16 ? 312 SER E O 1 ATOM 2287 C CB . SER A 1 312 ? 29.979 29.509 16.085 1.00 11.11 ? 312 SER E CB 1 ATOM 2288 O OG . SER A 1 312 ? 30.528 30.323 15.068 1.00 18.88 ? 312 SER E OG 1 ATOM 2289 N N . ASP A 1 313 ? 28.080 32.380 16.083 1.00 12.26 ? 313 ASP E N 1 ATOM 2290 C CA . ASP A 1 313 ? 28.029 33.821 16.547 1.00 14.08 ? 313 ASP E CA 1 ATOM 2291 C C . ASP A 1 313 ? 26.773 34.019 17.391 1.00 14.20 ? 313 ASP E C 1 ATOM 2292 O O . ASP A 1 313 ? 25.668 33.971 16.856 1.00 16.15 ? 313 ASP E O 1 ATOM 2293 C CB . ASP A 1 313 ? 28.107 34.714 15.330 1.00 20.21 ? 313 ASP E CB 1 ATOM 2294 C CG . ASP A 1 313 ? 29.590 34.927 14.974 1.00 33.39 ? 313 ASP E CG 1 ATOM 2295 O OD1 . ASP A 1 313 ? 30.556 34.821 15.784 1.00 35.09 ? 313 ASP E OD1 1 ATOM 2296 O OD2 . ASP A 1 313 ? 29.708 35.164 13.715 1.00 38.08 ? 313 ASP E OD2 1 ATOM 2297 N N . GLY A 1 314 ? 26.939 34.213 18.668 1.00 12.31 ? 314 GLY E N 1 ATOM 2298 C CA . GLY A 1 314 ? 25.777 34.368 19.596 1.00 15.51 ? 314 GLY E CA 1 ATOM 2299 C C . GLY A 1 314 ? 26.212 33.533 20.827 1.00 15.24 ? 314 GLY E C 1 ATOM 2300 O O . GLY A 1 314 ? 26.654 34.148 21.781 1.00 18.05 ? 314 GLY E O 1 ATOM 2301 N N . PRO A 1 315 ? 26.164 32.214 20.767 1.00 12.21 ? 315 PRO E N 1 ATOM 2302 C CA . PRO A 1 315 ? 25.639 31.428 19.642 1.00 9.76 ? 315 PRO E CA 1 ATOM 2303 C C . PRO A 1 315 ? 24.149 31.546 19.549 1.00 9.64 ? 315 PRO E C 1 ATOM 2304 O O . PRO A 1 315 ? 23.390 32.014 20.467 1.00 10.67 ? 315 PRO E O 1 ATOM 2305 C CB . PRO A 1 315 ? 26.147 30.012 19.932 1.00 10.56 ? 315 PRO E CB 1 ATOM 2306 C CG . PRO A 1 315 ? 26.243 29.953 21.423 1.00 11.88 ? 315 PRO E CG 1 ATOM 2307 C CD . PRO A 1 315 ? 26.585 31.347 21.869 1.00 13.84 ? 315 PRO E CD 1 ATOM 2308 N N . GLN A 1 316 ? 23.625 31.087 18.401 1.00 9.21 ? 316 GLN E N 1 ATOM 2309 C CA . GLN A 1 316 ? 22.163 31.103 18.197 1.00 9.26 ? 316 GLN E CA 1 ATOM 2310 C C . GLN A 1 316 ? 21.767 30.019 17.192 1.00 8.75 ? 316 GLN E C 1 ATOM 2311 O O . GLN A 1 316 ? 22.624 29.514 16.472 1.00 9.35 ? 316 GLN E O 1 ATOM 2312 C CB . GLN A 1 316 ? 21.716 32.472 17.653 1.00 13.15 ? 316 GLN E CB 1 ATOM 2313 C CG . GLN A 1 316 ? 22.300 32.898 16.354 1.00 15.15 ? 316 GLN E CG 1 ATOM 2314 C CD . GLN A 1 316 ? 21.991 34.315 15.884 1.00 17.97 ? 316 GLN E CD 1 ATOM 2315 O OE1 . GLN A 1 316 ? 21.172 35.038 16.356 1.00 17.81 ? 316 GLN E OE1 1 ATOM 2316 N NE2 . GLN A 1 316 ? 22.644 34.761 14.801 1.00 22.84 ? 316 GLN E NE2 1 ATOM 2317 N N . LEU A 1 317 ? 20.489 29.703 17.175 1.00 7.92 ? 317 LEU E N 1 ATOM 2318 C CA . LEU A 1 317 ? 19.926 28.729 16.263 1.00 7.39 ? 317 LEU E CA 1 ATOM 2319 C C . LEU A 1 317 ? 18.861 29.447 15.419 1.00 7.79 ? 317 LEU E C 1 ATOM 2320 O O . LEU A 1 317 ? 18.058 30.196 16.054 1.00 10.75 ? 317 LEU E O 1 ATOM 2321 C CB . LEU A 1 317 ? 19.196 27.620 17.021 1.00 7.19 ? 317 LEU E CB 1 ATOM 2322 C CG . LEU A 1 317 ? 20.039 26.537 17.646 1.00 9.06 ? 317 LEU E CG 1 ATOM 2323 C CD1 . LEU A 1 317 ? 19.160 25.707 18.574 1.00 9.91 ? 317 LEU E CD1 1 ATOM 2324 C CD2 . LEU A 1 317 ? 20.511 25.604 16.521 1.00 7.97 ? 317 LEU E CD2 1 ATOM 2325 N N . GLY A 1 318 ? 18.834 29.171 14.124 1.00 7.06 ? 318 GLY E N 1 ATOM 2326 C CA . GLY A 1 318 ? 17.778 29.775 13.317 1.00 7.08 ? 318 GLY E CA 1 ATOM 2327 C C . GLY A 1 318 ? 16.902 28.646 12.843 1.00 7.19 ? 318 GLY E C 1 ATOM 2328 O O . GLY A 1 318 ? 17.349 27.515 12.532 1.00 9.86 ? 318 GLY E O 1 ATOM 2329 N N . PHE A 1 319 ? 15.611 28.926 12.727 1.00 8.12 ? 319 PHE E N 1 ATOM 2330 C CA . PHE A 1 319 ? 14.617 27.972 12.247 1.00 6.90 ? 319 PHE E CA 1 ATOM 2331 C C . PHE A 1 319 ? 13.703 28.512 11.141 1.00 7.40 ? 319 PHE E C 1 ATOM 2332 O O . PHE A 1 319 ? 13.305 29.683 11.191 1.00 8.56 ? 319 PHE E O 1 ATOM 2333 C CB . PHE A 1 319 ? 13.692 27.576 13.421 1.00 9.81 ? 319 PHE E CB 1 ATOM 2334 C CG . PHE A 1 319 ? 14.368 26.938 14.586 1.00 7.87 ? 319 PHE E CG 1 ATOM 2335 C CD1 . PHE A 1 319 ? 14.508 25.557 14.614 1.00 12.37 ? 319 PHE E CD1 1 ATOM 2336 C CD2 . PHE A 1 319 ? 14.825 27.743 15.633 1.00 11.12 ? 319 PHE E CD2 1 ATOM 2337 C CE1 . PHE A 1 319 ? 15.106 24.942 15.705 1.00 12.26 ? 319 PHE E CE1 1 ATOM 2338 C CE2 . PHE A 1 319 ? 15.448 27.117 16.711 1.00 12.03 ? 319 PHE E CE2 1 ATOM 2339 C CZ . PHE A 1 319 ? 15.559 25.695 16.718 1.00 11.71 ? 319 PHE E CZ 1 ATOM 2340 N N . ALA A 1 320 ? 13.337 27.573 10.263 1.00 8.10 ? 320 ALA E N 1 ATOM 2341 C CA . ALA A 1 320 ? 12.280 27.918 9.256 1.00 9.36 ? 320 ALA E CA 1 ATOM 2342 C C . ALA A 1 320 ? 11.685 26.602 8.793 1.00 7.72 ? 320 ALA E C 1 ATOM 2343 O O . ALA A 1 320 ? 12.440 25.608 8.821 1.00 7.61 ? 320 ALA E O 1 ATOM 2344 C CB . ALA A 1 320 ? 12.788 28.852 8.147 1.00 9.49 ? 320 ALA E CB 1 ATOM 2345 N N . PRO A 1 321 ? 10.482 26.555 8.269 1.00 6.89 ? 321 PRO E N 1 ATOM 2346 C CA . PRO A 1 321 ? 9.912 25.313 7.758 1.00 8.22 ? 321 PRO E CA 1 ATOM 2347 C C . PRO A 1 321 ? 10.671 24.825 6.543 1.00 7.97 ? 321 PRO E C 1 ATOM 2348 O O . PRO A 1 321 ? 11.043 25.653 5.689 1.00 10.21 ? 321 PRO E O 1 ATOM 2349 C CB . PRO A 1 321 ? 8.475 25.660 7.382 1.00 8.79 ? 321 PRO E CB 1 ATOM 2350 C CG . PRO A 1 321 ? 8.229 26.994 7.938 1.00 9.06 ? 321 PRO E CG 1 ATOM 2351 C CD . PRO A 1 321 ? 9.566 27.699 8.185 1.00 7.94 ? 321 PRO E CD 1 ATOM 2352 N N . GLN A 1 322 ? 10.921 23.546 6.405 1.00 7.80 ? 322 GLN E N 1 ATOM 2353 C CA . GLN A 1 322 ? 11.626 22.999 5.265 1.00 11.44 ? 322 GLN E CA 1 ATOM 2354 C C . GLN A 1 322 ? 10.752 23.214 4.024 1.00 14.12 ? 322 GLN E C 1 ATOM 2355 O O . GLN A 1 322 ? 9.522 23.104 4.136 1.00 14.48 ? 322 GLN E O 1 ATOM 2356 C CB . GLN A 1 322 ? 11.904 21.505 5.475 1.00 15.21 ? 322 GLN E CB 1 ATOM 2357 C CG . GLN A 1 322 ? 13.303 21.269 5.943 1.00 15.74 ? 322 GLN E CG 1 ATOM 2358 C CD . GLN A 1 322 ? 13.646 19.767 5.942 1.00 14.74 ? 322 GLN E CD 1 ATOM 2359 O OE1 . GLN A 1 322 ? 13.256 19.144 4.954 1.00 20.51 ? 322 GLN E OE1 1 ATOM 2360 N NE2 . GLN A 1 322 ? 14.205 19.289 7.028 1.00 8.49 ? 322 GLN E NE2 1 ATOM 2361 N N . ALA A 1 323 ? 11.420 23.485 2.917 1.00 17.96 ? 323 ALA E N 1 ATOM 2362 C CA . ALA A 1 323 ? 10.683 23.757 1.663 1.00 22.38 ? 323 ALA E CA 1 ATOM 2363 C C . ALA A 1 323 ? 10.238 22.425 1.062 1.00 28.27 ? 323 ALA E C 1 ATOM 2364 O O . ALA A 1 323 ? 11.090 21.496 1.103 1.00 30.06 ? 323 ALA E O 1 ATOM 2365 C CB . ALA A 1 323 ? 11.517 24.613 0.761 1.00 21.23 ? 323 ALA E CB 1 ATOM 2366 O OXT . ALA A 1 323 ? 9.068 22.381 0.666 1.00 33.82 ? 323 ALA E OXT 1 HETATM 2367 C C1 . 0P1 B 2 . ? 16.961 5.056 18.839 1.00 21.19 ? 324 0P1 E C1 1 HETATM 2368 O O1 . 0P1 B 2 . ? 16.786 4.793 20.063 1.00 24.49 ? 324 0P1 E O1 1 HETATM 2369 O O2 . 0P1 B 2 . ? 15.838 4.904 17.992 1.00 22.98 ? 324 0P1 E O2 1 HETATM 2370 C C2 . 0P1 B 2 . ? 14.571 4.871 18.705 1.00 27.27 ? 324 0P1 E C2 1 HETATM 2371 C C3 . 0P1 B 2 . ? 13.991 3.494 18.504 1.00 30.02 ? 324 0P1 E C3 1 HETATM 2372 C C4 . 0P1 B 2 . ? 13.375 2.828 19.582 1.00 34.64 ? 324 0P1 E C4 1 HETATM 2373 C C5 . 0P1 B 2 . ? 12.849 1.571 19.388 1.00 35.75 ? 324 0P1 E C5 1 HETATM 2374 C C6 . 0P1 B 2 . ? 12.915 1.001 18.112 1.00 39.57 ? 324 0P1 E C6 1 HETATM 2375 C C7 . 0P1 B 2 . ? 13.546 1.669 17.036 1.00 39.60 ? 324 0P1 E C7 1 HETATM 2376 C C8 . 0P1 B 2 . ? 14.080 2.953 17.244 1.00 36.61 ? 324 0P1 E C8 1 HETATM 2377 N N . 0P1 B 2 . ? 18.071 5.525 18.386 1.00 14.36 ? 324 0P1 E N 1 HETATM 2378 C CA . 0P1 B 2 . ? 19.205 5.754 19.248 1.00 12.48 ? 324 0P1 E CA 1 HETATM 2379 C C . 0P1 B 2 . ? 19.030 7.103 20.012 1.00 9.92 ? 324 0P1 E C 1 HETATM 2380 O O . 0P1 B 2 . ? 18.161 7.950 19.602 1.00 9.12 ? 324 0P1 E O 1 HETATM 2381 C CB . 0P1 B 2 . ? 20.362 5.945 18.256 1.00 13.01 ? 324 0P1 E CB 1 HETATM 2382 N N1 . 0P1 B 2 . ? 19.818 7.245 21.046 1.00 10.29 ? 324 0P1 E N1 1 HETATM 2383 C CA1 . 0P1 B 2 . ? 19.787 8.486 21.820 1.00 9.67 ? 324 0P1 E CA1 1 HETATM 2384 C C9 . 0P1 B 2 . ? 21.248 8.850 22.054 1.00 9.67 ? 324 0P1 E C9 1 HETATM 2385 O O3 . 0P1 B 2 . ? 21.810 8.471 23.059 1.00 10.42 ? 324 0P1 E O3 1 HETATM 2386 C CB1 . 0P1 B 2 . ? 18.912 8.385 23.090 1.00 8.36 ? 324 0P1 E CB1 1 HETATM 2387 C CA2 . 0P1 B 2 . ? 23.271 9.945 21.125 1.00 9.08 ? 324 0P1 E CA2 1 HETATM 2388 C CB2 . 0P1 B 2 . ? 24.034 9.373 19.866 1.00 8.20 ? 324 0P1 E CB2 1 HETATM 2389 C CG . 0P1 B 2 . ? 23.768 7.877 19.529 1.00 10.84 ? 324 0P1 E CG 1 HETATM 2390 C CD1 . 0P1 B 2 . ? 24.499 7.605 18.216 1.00 12.55 ? 324 0P1 E CD1 1 HETATM 2391 C CD2 . 0P1 B 2 . ? 24.255 6.951 20.675 1.00 11.01 ? 324 0P1 E CD2 1 HETATM 2392 N N2 . 0P1 B 2 . ? 21.889 9.568 21.082 1.00 9.00 ? 324 0P1 E N2 1 HETATM 2393 P P . 0P1 B 2 . ? 23.455 11.772 21.239 1.00 8.45 ? 324 0P1 E P 1 HETATM 2394 O O11 . 0P1 B 2 . ? 24.835 12.087 21.250 1.00 8.56 ? 324 0P1 E O11 1 HETATM 2395 O O21 . 0P1 B 2 . ? 22.528 12.322 20.307 1.00 10.63 ? 324 0P1 E O21 1 HETATM 2396 C CA3 . 0P1 B 2 . ? 23.511 13.042 23.514 1.00 11.00 ? 324 0P1 E CA3 1 HETATM 2397 C CB3 . 0P1 B 2 . ? 22.344 13.909 24.038 1.00 8.82 ? 324 0P1 E CB3 1 HETATM 2398 C CG1 . 0P1 B 2 . ? 21.335 13.152 24.864 1.00 11.96 ? 324 0P1 E CG1 1 HETATM 2399 C CD11 . 0P1 B 2 . ? 21.404 13.365 26.264 1.00 13.46 ? 324 0P1 E CD11 1 HETATM 2400 C CD21 . 0P1 B 2 . ? 20.383 12.298 24.360 1.00 12.18 ? 324 0P1 E CD21 1 HETATM 2401 C CE1 . 0P1 B 2 . ? 20.545 12.734 27.139 1.00 14.83 ? 324 0P1 E CE1 1 HETATM 2402 C CE2 . 0P1 B 2 . ? 19.511 11.681 25.222 1.00 11.86 ? 324 0P1 E CE2 1 HETATM 2403 C CZ . 0P1 B 2 . ? 19.604 11.874 26.598 1.00 13.60 ? 324 0P1 E CZ 1 HETATM 2404 C CC . 0P1 B 2 . ? 24.232 12.497 24.739 1.00 13.25 ? 324 0P1 E CC 1 HETATM 2405 C CS . 0P1 B 2 . ? 25.714 12.999 26.630 1.00 17.98 ? 324 0P1 E CS 1 HETATM 2406 O OP . 0P1 B 2 . ? 22.955 11.942 22.718 1.00 11.26 ? 324 0P1 E OP 1 HETATM 2407 O OS . 0P1 B 2 . ? 24.739 13.313 25.741 1.00 14.26 ? 324 0P1 E OS 1 HETATM 2408 O O4 . 0P1 B 2 . ? 24.407 11.320 24.920 1.00 15.59 ? 324 0P1 E O4 1 HETATM 2409 C C1 . MAN C 3 . ? 30.097 27.916 -0.362 1.00 11.85 ? 329 MAN E C1 1 HETATM 2410 C C2 . MAN C 3 . ? 30.220 27.374 -1.810 1.00 15.88 ? 329 MAN E C2 1 HETATM 2411 C C3 . MAN C 3 . ? 31.602 27.689 -2.277 1.00 16.02 ? 329 MAN E C3 1 HETATM 2412 C C4 . MAN C 3 . ? 31.897 29.204 -2.114 1.00 14.93 ? 329 MAN E C4 1 HETATM 2413 C C5 . MAN C 3 . ? 31.928 29.443 -0.624 1.00 14.15 ? 329 MAN E C5 1 HETATM 2414 C C6 . MAN C 3 . ? 32.390 30.831 -0.206 1.00 14.49 ? 329 MAN E C6 1 HETATM 2415 O O2 . MAN C 3 . ? 29.239 28.187 -2.547 1.00 18.58 ? 329 MAN E O2 1 HETATM 2416 O O3 . MAN C 3 . ? 31.700 27.416 -3.676 1.00 20.57 ? 329 MAN E O3 1 HETATM 2417 O O4 . MAN C 3 . ? 33.196 29.376 -2.671 1.00 15.29 ? 329 MAN E O4 1 HETATM 2418 O O5 . MAN C 3 . ? 30.551 29.257 -0.170 1.00 14.22 ? 329 MAN E O5 1 HETATM 2419 O O6 . MAN C 3 . ? 31.381 31.692 -0.739 1.00 21.98 ? 329 MAN E O6 1 HETATM 2420 C C1 . ARA D 4 . ? 24.994 15.173 -1.958 1.00 31.09 ? 330 ARA E C1 1 HETATM 2421 C C2 . ARA D 4 . ? 23.951 15.378 -3.009 1.00 36.98 ? 330 ARA E C2 1 HETATM 2422 C C3 . ARA D 4 . ? 23.815 16.666 -3.745 1.00 38.89 ? 330 ARA E C3 1 HETATM 2423 C C4 . ARA D 4 . ? 24.814 17.716 -3.348 1.00 40.01 ? 330 ARA E C4 1 HETATM 2424 C C5 . ARA D 4 . ? 26.117 17.238 -2.817 1.00 39.26 ? 330 ARA E C5 1 HETATM 2425 O O2 . ARA D 4 . ? 23.537 14.194 -3.625 1.00 45.68 ? 330 ARA E O2 1 HETATM 2426 O O3 . ARA D 4 . ? 22.522 17.219 -3.520 1.00 40.39 ? 330 ARA E O3 1 HETATM 2427 O O4 . ARA D 4 . ? 24.128 18.718 -2.623 1.00 40.87 ? 330 ARA E O4 1 HETATM 2428 O O5 . ARA D 4 . ? 26.135 15.976 -2.173 1.00 39.05 ? 330 ARA E O5 1 HETATM 2429 S S . SO4 E 5 . ? 16.310 34.746 5.865 0.98 49.20 ? 331 SO4 E S 1 HETATM 2430 O O1 . SO4 E 5 . ? 17.344 35.123 6.882 0.82 49.98 ? 331 SO4 E O1 1 HETATM 2431 O O2 . SO4 E 5 . ? 14.977 35.162 6.423 0.72 50.83 ? 331 SO4 E O2 1 HETATM 2432 O O3 . SO4 E 5 . ? 16.595 35.448 4.585 0.65 50.65 ? 331 SO4 E O3 1 HETATM 2433 O O4 . SO4 E 5 . ? 16.193 33.294 5.592 0.69 50.70 ? 331 SO4 E O4 1 HETATM 2434 O O . HOH F 6 . ? 33.957 16.394 15.338 1.00 7.65 ? 332 HOH E O 1 HETATM 2435 O O . HOH F 6 . ? 46.421 7.956 21.801 1.00 12.36 ? 333 HOH E O 1 HETATM 2436 O O . HOH F 6 . ? 35.518 16.039 17.723 1.00 8.66 ? 334 HOH E O 1 HETATM 2437 O O . HOH F 6 . ? 22.980 19.816 20.951 1.00 8.67 ? 335 HOH E O 1 HETATM 2438 O O . HOH F 6 . ? 13.535 9.778 12.848 1.00 10.59 ? 336 HOH E O 1 HETATM 2439 O O . HOH F 6 . ? 16.729 19.394 9.595 1.00 9.10 ? 337 HOH E O 1 HETATM 2440 O O . HOH F 6 . ? 37.785 14.440 17.916 1.00 11.48 ? 338 HOH E O 1 HETATM 2441 O O . HOH F 6 . ? 24.298 23.600 26.929 1.00 12.30 ? 339 HOH E O 1 HETATM 2442 O O . HOH F 6 . ? 16.385 30.277 23.290 1.00 11.98 ? 340 HOH E O 1 HETATM 2443 O O . HOH F 6 . ? 40.848 18.312 16.608 0.98 10.88 ? 341 HOH E O 1 HETATM 2444 O O . HOH F 6 . ? 50.991 3.575 21.740 1.00 18.10 ? 342 HOH E O 1 HETATM 2445 O O . HOH F 6 . ? 36.063 3.095 2.364 1.00 17.62 ? 343 HOH E O 1 HETATM 2446 O O . HOH F 6 . ? 8.798 18.417 27.447 1.00 12.69 ? 344 HOH E O 1 HETATM 2447 O O . HOH F 6 . ? 35.073 7.866 -1.690 1.00 11.80 ? 345 HOH E O 1 HETATM 2448 O O . HOH F 6 . ? 22.349 22.890 0.122 0.98 12.91 ? 346 HOH E O 1 HETATM 2449 O O . HOH F 6 . ? 31.276 14.548 23.567 1.00 13.86 ? 347 HOH E O 1 HETATM 2450 O O . HOH F 6 . ? 44.544 9.303 29.568 1.00 45.98 ? 348 HOH E O 1 HETATM 2451 O O . HOH F 6 . ? 17.686 13.353 4.847 1.00 8.37 ? 349 HOH E O 1 HETATM 2452 O O . HOH F 6 . ? 39.771 1.699 25.391 0.99 17.42 ? 350 HOH E O 1 HETATM 2453 O O . HOH F 6 . ? 28.165 7.107 1.327 1.00 21.00 ? 351 HOH E O 1 HETATM 2454 O O . HOH F 6 . ? 31.076 1.715 5.197 0.92 18.75 ? 352 HOH E O 1 HETATM 2455 O O . HOH F 6 . ? 14.716 8.526 27.411 1.00 19.01 ? 353 HOH E O 1 HETATM 2456 O O . HOH F 6 . ? 10.996 31.361 10.682 1.00 17.56 ? 354 HOH E O 1 HETATM 2457 O O . HOH F 6 . ? 8.905 10.715 10.791 1.00 18.03 ? 355 HOH E O 1 HETATM 2458 O O . HOH F 6 . ? 18.788 29.400 25.594 0.96 25.16 ? 356 HOH E O 1 HETATM 2459 O O . HOH F 6 . ? 30.492 25.201 25.846 1.00 19.12 ? 357 HOH E O 1 HETATM 2460 O O . HOH F 6 . ? 42.350 19.653 18.928 0.96 16.28 ? 358 HOH E O 1 HETATM 2461 O O . HOH F 6 . ? 31.457 22.437 17.422 1.00 20.31 ? 359 HOH E O 1 HETATM 2462 O O . HOH F 6 . ? 45.155 -4.519 15.818 1.00 15.83 ? 360 HOH E O 1 HETATM 2463 O O . HOH F 6 . ? 7.024 24.886 11.257 0.98 16.97 ? 361 HOH E O 1 HETATM 2464 O O . HOH F 6 . ? 21.573 11.070 12.669 1.00 11.29 ? 362 HOH E O 1 HETATM 2465 O O . HOH F 6 . ? 11.372 28.118 -0.537 1.00 14.22 ? 363 HOH E O 1 HETATM 2466 O O . HOH F 6 . ? 7.921 6.800 26.162 1.00 13.99 ? 364 HOH E O 1 HETATM 2467 O O . HOH F 6 . ? 12.022 31.096 22.863 1.00 22.44 ? 365 HOH E O 1 HETATM 2468 O O . HOH F 6 . ? 29.095 0.781 7.337 1.00 23.18 ? 366 HOH E O 1 HETATM 2469 O O . HOH F 6 . ? 34.331 15.503 0.301 1.00 21.73 ? 367 HOH E O 1 HETATM 2470 O O . HOH F 6 . ? -2.351 21.124 17.302 0.97 20.36 ? 368 HOH E O 1 HETATM 2471 O O . HOH F 6 . ? 7.819 -7.832 26.871 1.00 16.00 ? 369 HOH E O 1 HETATM 2472 O O . HOH F 6 . ? 11.822 19.438 28.988 0.98 15.29 ? 370 HOH E O 1 HETATM 2473 O O . HOH F 6 . ? 51.866 3.092 19.479 0.87 20.29 ? 371 HOH E O 1 HETATM 2474 O O . HOH F 6 . ? 46.122 -1.154 13.902 0.96 31.99 ? 372 HOH E O 1 HETATM 2475 O O . HOH F 6 . ? 19.572 9.324 14.844 0.99 10.77 ? 373 HOH E O 1 HETATM 2476 O O . HOH F 6 . ? 34.338 11.197 29.873 0.50 46.85 ? 374 HOH E O 1 HETATM 2477 O O . HOH F 6 . ? 18.407 26.930 27.038 1.00 18.76 ? 375 HOH E O 1 HETATM 2478 O O . HOH F 6 . ? 33.436 25.034 23.407 0.86 15.95 ? 376 HOH E O 1 HETATM 2479 O O . HOH F 6 . ? 25.092 12.124 9.284 1.00 15.32 ? 377 HOH E O 1 HETATM 2480 O O . HOH F 6 . ? 14.067 22.418 30.779 1.00 19.26 ? 378 HOH E O 1 HETATM 2481 O O . HOH F 6 . ? 9.565 31.082 7.846 0.88 27.30 ? 379 HOH E O 1 HETATM 2482 O O . HOH F 6 . ? 17.139 13.078 36.434 1.00 21.50 ? 380 HOH E O 1 HETATM 2483 O O . HOH F 6 . ? 0.245 26.337 18.500 0.97 32.80 ? 381 HOH E O 1 HETATM 2484 O O . HOH F 6 . ? 22.955 13.209 11.186 1.00 13.77 ? 382 HOH E O 1 HETATM 2485 O O . HOH F 6 . ? 46.437 18.038 22.915 0.93 21.25 ? 383 HOH E O 1 HETATM 2486 O O . HOH F 6 . ? 18.344 22.261 27.550 0.99 24.23 ? 384 HOH E O 1 HETATM 2487 O O . HOH F 6 . ? 28.583 14.276 0.758 0.92 20.60 ? 385 HOH E O 1 HETATM 2488 O O . HOH F 6 . ? 38.525 7.884 -0.711 1.00 22.24 ? 386 HOH E O 1 HETATM 2489 O O . HOH F 6 . ? 23.294 33.363 10.775 1.00 31.16 ? 387 HOH E O 1 HETATM 2490 O O . HOH F 6 . ? 0.832 -1.243 28.243 0.94 20.28 ? 388 HOH E O 1 HETATM 2491 O O . HOH F 6 . ? 34.768 -4.014 21.395 1.00 20.56 ? 389 HOH E O 1 HETATM 2492 O O . HOH F 6 . ? 27.459 33.669 11.803 0.89 25.45 ? 390 HOH E O 1 HETATM 2493 O O . HOH F 6 . ? 27.850 1.542 14.795 1.00 17.70 ? 391 HOH E O 1 HETATM 2494 O O . HOH F 6 . ? 33.105 25.268 20.805 1.00 24.48 ? 392 HOH E O 1 HETATM 2495 O O . HOH F 6 . ? 25.010 32.263 3.682 0.93 24.06 ? 393 HOH E O 1 HETATM 2496 O O . HOH F 6 . ? 40.329 27.269 10.007 1.00 32.35 ? 394 HOH E O 1 HETATM 2497 O O . HOH F 6 . ? 0.029 22.069 16.988 0.98 26.41 ? 395 HOH E O 1 HETATM 2498 O O . HOH F 6 . ? 15.218 36.321 14.328 1.00 23.66 ? 396 HOH E O 1 HETATM 2499 O O . HOH F 6 . ? 30.541 22.600 28.877 1.00 31.67 ? 397 HOH E O 1 HETATM 2500 O O . HOH F 6 . ? 20.054 34.667 8.466 0.93 23.84 ? 398 HOH E O 1 HETATM 2501 O O . HOH F 6 . ? -6.516 -0.216 9.082 1.00 31.10 ? 399 HOH E O 1 HETATM 2502 O O . HOH F 6 . ? 37.650 10.161 28.498 1.00 29.40 ? 400 HOH E O 1 HETATM 2503 O O . HOH F 6 . ? 16.606 10.393 28.508 1.00 37.26 ? 401 HOH E O 1 HETATM 2504 O O . HOH F 6 . ? 48.174 5.691 21.981 0.83 43.24 ? 402 HOH E O 1 HETATM 2505 O O . HOH F 6 . ? 1.639 -3.478 25.289 0.98 25.90 ? 403 HOH E O 1 HETATM 2506 O O . HOH F 6 . ? 47.786 20.582 31.054 1.00 31.63 ? 404 HOH E O 1 HETATM 2507 O O . HOH F 6 . ? 48.183 1.860 16.086 1.00 41.95 ? 405 HOH E O 1 HETATM 2508 O O . HOH F 6 . ? 40.831 13.919 3.970 1.00 40.45 ? 406 HOH E O 1 HETATM 2509 O O . HOH F 6 . ? 31.425 14.424 2.550 0.94 24.49 ? 407 HOH E O 1 HETATM 2510 O O . HOH F 6 . ? -6.723 16.076 19.115 0.83 35.16 ? 408 HOH E O 1 HETATM 2511 O O . HOH F 6 . ? -2.715 15.990 12.415 0.92 32.68 ? 409 HOH E O 1 HETATM 2512 O O . HOH F 6 . ? 9.777 13.571 32.601 1.00 22.87 ? 410 HOH E O 1 HETATM 2513 O O . HOH F 6 . ? -5.019 7.205 24.637 0.89 30.93 ? 411 HOH E O 1 HETATM 2514 O O . HOH F 6 . ? 38.752 27.556 13.571 0.86 21.37 ? 412 HOH E O 1 HETATM 2515 O O . HOH F 6 . ? 45.979 5.266 25.181 1.00 38.69 ? 413 HOH E O 1 HETATM 2516 O O . HOH F 6 . ? 34.333 31.925 9.670 1.00 18.39 ? 414 HOH E O 1 HETATM 2517 O O . HOH F 6 . ? 22.068 23.044 28.543 1.00 24.93 ? 415 HOH E O 1 HETATM 2518 O O . HOH F 6 . ? 7.417 0.765 27.406 1.00 22.21 ? 416 HOH E O 1 HETATM 2519 O O . HOH F 6 . ? 10.503 7.786 10.502 1.00 21.53 ? 417 HOH E O 1 HETATM 2520 O O . HOH F 6 . ? 32.250 32.523 15.442 1.00 26.72 ? 418 HOH E O 1 HETATM 2521 O O . HOH F 6 . ? 42.595 -6.221 15.772 1.00 26.45 ? 419 HOH E O 1 HETATM 2522 O O . HOH F 6 . ? 37.689 -4.425 21.997 0.93 30.70 ? 420 HOH E O 1 HETATM 2523 O O . HOH F 6 . ? 37.992 20.940 23.730 0.95 22.04 ? 421 HOH E O 1 HETATM 2524 O O . HOH F 6 . ? 34.093 12.828 1.734 1.00 30.18 ? 422 HOH E O 1 HETATM 2525 O O . HOH F 6 . ? 24.850 9.767 2.419 0.95 30.98 ? 423 HOH E O 1 HETATM 2526 O O . HOH F 6 . ? 0.117 29.255 24.530 1.00 34.44 ? 424 HOH E O 1 HETATM 2527 O O . HOH F 6 . ? 7.658 21.843 8.094 0.81 30.05 ? 425 HOH E O 1 HETATM 2528 O O . HOH F 6 . ? 5.393 22.202 9.618 1.00 29.95 ? 426 HOH E O 1 HETATM 2529 O O . HOH F 6 . ? 42.357 4.146 6.780 1.00 25.22 ? 427 HOH E O 1 HETATM 2530 O O . HOH F 6 . ? 22.825 21.680 -2.245 1.00 28.39 ? 428 HOH E O 1 HETATM 2531 O O . HOH F 6 . ? 14.496 21.465 2.636 0.90 31.12 ? 429 HOH E O 1 HETATM 2532 O O . HOH F 6 . ? -7.606 22.554 25.409 1.00 24.99 ? 430 HOH E O 1 HETATM 2533 O O . HOH F 6 . ? 0.136 1.567 28.512 0.78 34.86 ? 431 HOH E O 1 HETATM 2534 O O . HOH F 6 . ? 15.824 14.972 -1.393 0.87 32.33 ? 432 HOH E O 1 HETATM 2535 O O . HOH F 6 . ? 10.981 28.618 28.696 1.00 34.22 ? 433 HOH E O 1 HETATM 2536 O O . HOH F 6 . ? 44.072 6.261 6.605 1.00 34.05 ? 434 HOH E O 1 HETATM 2537 O O . HOH F 6 . ? 2.509 30.236 28.642 0.98 42.38 ? 435 HOH E O 1 HETATM 2538 O O . HOH F 6 . ? 41.543 26.380 13.826 1.00 37.81 ? 436 HOH E O 1 HETATM 2539 O O . HOH F 6 . ? 34.426 1.499 25.942 0.87 27.77 ? 437 HOH E O 1 HETATM 2540 O O . HOH F 6 . ? 25.598 35.620 12.600 0.99 25.79 ? 438 HOH E O 1 HETATM 2541 O O . HOH F 6 . ? 19.208 35.199 18.442 1.00 37.81 ? 439 HOH E O 1 HETATM 2542 O O . HOH F 6 . ? -8.887 16.524 22.482 1.00 41.00 ? 440 HOH E O 1 HETATM 2543 O O . HOH F 6 . ? 21.890 -2.445 11.340 1.00 45.89 ? 441 HOH E O 1 HETATM 2544 O O . HOH F 6 . ? 18.539 17.481 34.760 0.90 27.21 ? 442 HOH E O 1 HETATM 2545 O O . HOH F 6 . ? 6.627 6.537 28.453 0.83 43.14 ? 443 HOH E O 1 HETATM 2546 O O . HOH F 6 . ? -0.767 17.866 9.948 0.95 28.91 ? 444 HOH E O 1 HETATM 2547 O O . HOH F 6 . ? 33.844 22.500 -0.784 0.83 35.57 ? 445 HOH E O 1 HETATM 2548 O O . HOH F 6 . ? 52.919 11.835 20.919 1.00 36.44 ? 446 HOH E O 1 HETATM 2549 O O . HOH F 6 . ? 38.288 15.996 28.403 1.00 32.36 ? 447 HOH E O 1 HETATM 2550 O O . HOH F 6 . ? 25.570 30.707 25.438 1.00 27.29 ? 448 HOH E O 1 HETATM 2551 O O . HOH F 6 . ? 51.722 7.200 10.330 1.00 46.74 ? 449 HOH E O 1 HETATM 2552 O O . HOH F 6 . ? 12.185 7.121 25.634 0.90 41.38 ? 450 HOH E O 1 HETATM 2553 O O . HOH F 6 . ? 17.070 1.302 10.351 1.00 40.00 ? 451 HOH E O 1 HETATM 2554 O O . HOH F 6 . ? -0.319 15.259 9.313 0.94 27.46 ? 452 HOH E O 1 HETATM 2555 O O . HOH F 6 . ? 38.409 -11.356 15.610 0.94 39.78 ? 453 HOH E O 1 HETATM 2556 O O . HOH F 6 . ? -4.992 23.944 26.412 1.00 29.43 ? 454 HOH E O 1 HETATM 2557 O O . HOH F 6 . ? 42.399 20.516 15.335 1.00 30.94 ? 455 HOH E O 1 HETATM 2558 O O . HOH F 6 . ? 34.772 -14.371 14.083 0.90 38.91 ? 456 HOH E O 1 HETATM 2559 O O . HOH F 6 . ? -4.352 2.816 18.459 0.87 32.78 ? 457 HOH E O 1 HETATM 2560 O O . HOH F 6 . ? -0.592 7.310 11.788 0.95 39.01 ? 458 HOH E O 1 HETATM 2561 O O . HOH F 6 . ? 21.218 32.572 1.617 0.92 42.08 ? 459 HOH E O 1 HETATM 2562 O O . HOH F 6 . ? 28.220 24.534 33.513 0.90 37.26 ? 460 HOH E O 1 HETATM 2563 O O . HOH F 6 . ? 36.118 18.111 27.796 1.00 54.67 ? 461 HOH E O 1 HETATM 2564 O O . HOH F 6 . ? 36.588 -4.045 7.279 1.00 30.55 ? 462 HOH E O 1 HETATM 2565 O O . HOH F 6 . ? 13.140 4.483 1.493 1.00 24.72 ? 463 HOH E O 1 HETATM 2566 O O . HOH F 6 . ? 11.538 34.707 1.622 1.00 51.83 ? 464 HOH E O 1 HETATM 2567 O O . HOH F 6 . ? 6.220 22.346 30.394 0.90 37.40 ? 465 HOH E O 1 HETATM 2568 O O . HOH F 6 . ? 27.690 14.268 24.634 0.98 36.38 ? 466 HOH E O 1 HETATM 2569 O O . HOH F 6 . ? 16.709 34.481 22.544 0.92 33.04 ? 467 HOH E O 1 HETATM 2570 O O . HOH F 6 . ? 21.915 8.675 15.768 1.00 11.06 ? 468 HOH E O 1 HETATM 2571 O O . HOH F 6 . ? 41.967 23.521 16.717 1.00 39.45 ? 469 HOH E O 1 HETATM 2572 O O . HOH F 6 . ? -1.555 8.156 28.064 1.00 56.05 ? 470 HOH E O 1 HETATM 2573 O O . HOH F 6 . ? 37.494 0.927 3.123 1.00 33.00 ? 471 HOH E O 1 HETATM 2574 O O . HOH F 6 . ? 48.279 9.820 29.868 1.00 37.23 ? 472 HOH E O 1 HETATM 2575 O O . HOH F 6 . ? 0.296 8.529 33.452 0.66 32.57 ? 473 HOH E O 1 HETATM 2576 O O . HOH F 6 . ? -8.173 7.889 24.035 1.00 47.15 ? 474 HOH E O 1 HETATM 2577 O O . HOH F 6 . ? 41.522 -9.690 16.321 1.00 39.29 ? 475 HOH E O 1 HETATM 2578 O O . HOH F 6 . ? 41.450 18.075 30.799 1.00 18.32 ? 476 HOH E O 1 HETATM 2579 O O . HOH F 6 . ? 43.923 3.318 25.242 1.00 37.76 ? 477 HOH E O 1 HETATM 2580 O O . HOH F 6 . ? 19.276 27.389 29.191 1.00 45.05 ? 478 HOH E O 1 HETATM 2581 O O . HOH F 6 . ? 37.899 -0.357 5.287 0.95 32.89 ? 479 HOH E O 1 HETATM 2582 O O . HOH F 6 . ? 48.061 14.970 11.216 1.00 30.26 ? 480 HOH E O 1 HETATM 2583 O O . HOH F 6 . ? 32.304 -0.233 2.621 0.73 48.34 ? 481 HOH E O 1 HETATM 2584 O O . HOH F 6 . ? 7.641 32.767 21.897 1.00 26.95 ? 482 HOH E O 1 HETATM 2585 O O . HOH F 6 . ? 11.374 17.195 5.337 1.00 34.33 ? 483 HOH E O 1 HETATM 2586 O O . HOH F 6 . ? 30.549 11.592 19.669 1.00 14.39 ? 484 HOH E O 1 HETATM 2587 O O . HOH F 6 . ? 41.014 4.108 25.956 1.00 21.00 ? 485 HOH E O 1 HETATM 2588 O O . HOH F 6 . ? 25.103 -0.723 23.803 1.00 22.18 ? 486 HOH E O 1 HETATM 2589 O O . HOH F 6 . ? 19.975 2.351 11.501 1.00 24.85 ? 487 HOH E O 1 HETATM 2590 O O . HOH F 6 . ? 48.665 13.033 9.696 1.00 27.24 ? 488 HOH E O 1 HETATM 2591 O O . HOH F 6 . ? 10.660 15.088 4.906 1.00 28.35 ? 489 HOH E O 1 HETATM 2592 O O . HOH F 6 . ? 22.314 5.678 15.705 0.94 25.39 ? 490 HOH E O 1 HETATM 2593 O O . HOH F 6 . ? 39.799 8.192 28.377 0.94 26.01 ? 491 HOH E O 1 HETATM 2594 O O . HOH F 6 . ? 9.946 24.286 32.340 1.00 30.63 ? 492 HOH E O 1 HETATM 2595 O O . HOH F 6 . ? -1.653 -1.075 12.668 1.00 30.86 ? 493 HOH E O 1 HETATM 2596 O O . HOH F 6 . ? 42.928 -5.644 17.452 1.00 31.15 ? 494 HOH E O 1 HETATM 2597 O O . HOH F 6 . ? 27.885 2.281 5.636 0.98 29.92 ? 495 HOH E O 1 HETATM 2598 O O . HOH F 6 . ? 6.931 15.201 33.890 1.00 31.45 ? 496 HOH E O 1 HETATM 2599 O O . HOH F 6 . ? 28.829 5.520 31.824 0.92 26.74 ? 497 HOH E O 1 HETATM 2600 O O . HOH F 6 . ? 0.879 28.190 27.140 1.00 32.32 ? 498 HOH E O 1 HETATM 2601 O O . HOH F 6 . ? 10.181 -0.431 17.418 1.00 32.52 ? 499 HOH E O 1 HETATM 2602 O O . HOH F 6 . ? 23.343 3.657 17.021 0.95 29.61 ? 500 HOH E O 1 HETATM 2603 O O . HOH F 6 . ? 28.368 32.155 3.514 0.92 27.80 ? 501 HOH E O 1 HETATM 2604 O O . HOH F 6 . ? 43.434 -5.484 12.413 0.89 26.13 ? 502 HOH E O 1 HETATM 2605 O O . HOH F 6 . ? 22.076 -1.367 16.749 0.95 30.01 ? 503 HOH E O 1 HETATM 2606 O O . HOH F 6 . ? 13.419 1.574 13.643 1.00 34.90 ? 504 HOH E O 1 HETATM 2607 O O . HOH F 6 . ? 24.105 34.547 8.625 1.00 35.29 ? 505 HOH E O 1 HETATM 2608 O O . HOH F 6 . ? 7.994 20.028 29.776 0.99 34.59 ? 506 HOH E O 1 HETATM 2609 O O . HOH F 6 . ? 40.343 15.779 32.109 1.00 35.38 ? 507 HOH E O 1 HETATM 2610 O O . HOH F 6 . ? 5.067 30.958 12.728 1.00 35.59 ? 508 HOH E O 1 HETATM 2611 O O . HOH F 6 . ? 15.727 32.351 24.993 0.91 29.87 ? 509 HOH E O 1 HETATM 2612 O O . HOH F 6 . ? 13.558 12.196 37.552 0.97 34.11 ? 510 HOH E O 1 HETATM 2613 O O . HOH F 6 . ? 37.836 10.086 31.291 1.00 36.49 ? 511 HOH E O 1 HETATM 2614 O O . HOH F 6 . ? 5.744 8.828 29.678 1.00 36.93 ? 512 HOH E O 1 HETATM 2615 O O . HOH F 6 . ? 21.808 6.619 29.982 0.99 36.50 ? 513 HOH E O 1 HETATM 2616 O O . HOH F 6 . ? 39.005 13.390 34.324 1.00 37.74 ? 514 HOH E O 1 HETATM 2617 O O . HOH F 6 . ? 9.868 4.491 26.557 0.97 35.95 ? 515 HOH E O 1 HETATM 2618 O O . HOH F 6 . ? 45.830 19.132 15.957 1.00 38.26 ? 516 HOH E O 1 HETATM 2619 O O . HOH F 6 . ? -7.054 13.354 18.644 0.96 35.90 ? 517 HOH E O 1 HETATM 2620 O O . HOH F 6 . ? 14.787 33.532 2.080 1.00 39.12 ? 518 HOH E O 1 HETATM 2621 O O . HOH F 6 . ? 27.580 0.551 26.903 0.87 29.64 ? 519 HOH E O 1 HETATM 2622 O O . HOH F 6 . ? 9.545 12.092 35.394 0.89 31.08 ? 520 HOH E O 1 HETATM 2623 O O . HOH F 6 . ? 4.286 27.267 11.546 1.00 40.46 ? 521 HOH E O 1 HETATM 2624 O O . HOH F 6 . ? 18.779 0.751 6.641 0.91 33.76 ? 522 HOH E O 1 HETATM 2625 O O . HOH F 6 . ? 32.146 -10.803 12.146 0.95 36.98 ? 523 HOH E O 1 HETATM 2626 O O . HOH F 6 . ? 39.034 26.614 17.301 1.00 41.41 ? 524 HOH E O 1 HETATM 2627 O O . HOH F 6 . ? 5.178 31.943 18.629 0.97 39.02 ? 525 HOH E O 1 HETATM 2628 O O . HOH F 6 . ? 11.585 6.009 29.749 0.99 40.91 ? 526 HOH E O 1 HETATM 2629 O O . HOH F 6 . ? 32.382 0.178 25.346 0.90 33.96 ? 527 HOH E O 1 HETATM 2630 O O . HOH F 6 . ? 6.924 9.102 9.467 1.00 41.93 ? 528 HOH E O 1 HETATM 2631 O O . HOH F 6 . ? 2.116 -7.091 22.532 1.00 42.16 ? 529 HOH E O 1 HETATM 2632 O O . HOH F 6 . ? 10.665 0.020 14.639 0.98 40.77 ? 530 HOH E O 1 HETATM 2633 O O . HOH F 6 . ? 36.106 25.247 23.670 1.00 42.55 ? 531 HOH E O 1 HETATM 2634 O O . HOH F 6 . ? 8.929 27.338 -0.014 0.96 39.36 ? 532 HOH E O 1 HETATM 2635 O O . HOH F 6 . ? 28.059 31.909 25.327 1.00 42.73 ? 533 HOH E O 1 HETATM 2636 O O . HOH F 6 . ? 27.916 -3.666 25.427 1.00 42.88 ? 534 HOH E O 1 HETATM 2637 O O . HOH F 6 . ? 16.140 36.584 9.641 1.00 43.02 ? 535 HOH E O 1 HETATM 2638 O O . HOH F 6 . ? 24.120 34.669 6.022 0.99 42.24 ? 536 HOH E O 1 HETATM 2639 O O . HOH F 6 . ? 7.937 21.978 5.657 0.95 39.55 ? 537 HOH E O 1 HETATM 2640 O O . HOH F 6 . ? 16.035 8.387 33.655 0.90 35.58 ? 538 HOH E O 1 HETATM 2641 O O . HOH F 6 . ? 29.277 31.421 0.815 1.00 43.97 ? 539 HOH E O 1 HETATM 2642 O O . HOH F 6 . ? 22.952 0.381 24.091 0.93 38.06 ? 540 HOH E O 1 HETATM 2643 O O . HOH F 6 . ? -2.020 0.128 20.390 1.00 44.16 ? 541 HOH E O 1 HETATM 2644 O O . HOH F 6 . ? 3.995 32.019 15.209 0.74 24.22 ? 542 HOH E O 1 HETATM 2645 O O . HOH F 6 . ? 20.969 20.329 -2.620 0.98 43.20 ? 543 HOH E O 1 HETATM 2646 O O . HOH F 6 . ? 27.006 37.417 22.191 1.00 45.10 ? 544 HOH E O 1 HETATM 2647 O O . HOH F 6 . ? 7.488 24.744 3.728 0.97 42.83 ? 545 HOH E O 1 HETATM 2648 O O . HOH F 6 . ? -0.713 26.633 30.363 1.00 45.64 ? 546 HOH E O 1 HETATM 2649 O O . HOH F 6 . ? 25.274 30.430 28.672 0.95 41.21 ? 547 HOH E O 1 HETATM 2650 O O . HOH F 6 . ? 33.045 13.013 29.637 1.00 45.76 ? 548 HOH E O 1 HETATM 2651 O O . HOH F 6 . ? 30.259 -0.569 4.879 0.87 34.75 ? 549 HOH E O 1 HETATM 2652 O O . HOH F 6 . ? 29.664 35.922 11.489 0.94 40.59 ? 550 HOH E O 1 HETATM 2653 O O . HOH F 6 . ? 46.297 4.673 27.500 1.00 46.08 ? 551 HOH E O 1 HETATM 2654 O O . HOH F 6 . ? -9.399 2.909 20.287 0.92 40.17 ? 552 HOH E O 1 HETATM 2655 O O . HOH F 6 . ? 20.818 34.299 4.619 0.95 42.94 ? 553 HOH E O 1 HETATM 2656 O O . HOH F 6 . ? 12.001 -0.245 26.302 0.97 44.87 ? 554 HOH E O 1 HETATM 2657 O O . HOH F 6 . ? 30.637 20.991 -1.583 0.81 31.42 ? 555 HOH E O 1 HETATM 2658 O O . HOH F 6 . ? 45.895 18.341 18.761 0.94 42.55 ? 556 HOH E O 1 HETATM 2659 O O . HOH F 6 . ? 39.207 23.007 2.831 0.75 27.34 ? 557 HOH E O 1 HETATM 2660 O O . HOH F 6 . ? 39.693 24.061 6.056 0.95 43.98 ? 558 HOH E O 1 HETATM 2661 O O . HOH F 6 . ? 31.454 26.958 18.163 0.97 46.31 ? 559 HOH E O 1 HETATM 2662 O O . HOH F 6 . ? 23.394 28.945 -1.979 0.97 46.50 ? 560 HOH E O 1 HETATM 2663 O O . HOH F 6 . ? 46.529 16.596 8.602 0.83 34.08 ? 561 HOH E O 1 HETATM 2664 O O . HOH F 6 . ? 13.242 35.823 22.616 0.95 44.81 ? 562 HOH E O 1 HETATM 2665 O O . HOH F 6 . ? 31.927 14.933 28.201 0.92 42.15 ? 563 HOH E O 1 HETATM 2666 O O . HOH F 6 . ? 8.073 33.321 1.610 1.00 49.93 ? 564 HOH E O 1 HETATM 2667 O O . HOH F 6 . ? -3.466 -1.838 16.740 1.00 50.28 ? 565 HOH E O 1 HETATM 2668 O O . HOH F 6 . ? -6.916 9.538 17.887 0.87 38.23 ? 566 HOH E O 1 HETATM 2669 O O . HOH F 6 . ? 36.783 24.586 0.499 1.00 50.99 ? 567 HOH E O 1 HETATM 2670 O O . HOH F 6 . ? 34.470 -6.339 5.624 1.00 51.46 ? 568 HOH E O 1 HETATM 2671 O O . HOH F 6 . ? 17.484 7.783 26.394 0.99 50.55 ? 569 HOH E O 1 HETATM 2672 O O . HOH F 6 . ? 5.580 7.991 5.510 0.97 49.13 ? 570 HOH E O 1 HETATM 2673 O O . HOH F 6 . ? 22.884 9.038 -0.429 1.00 52.35 ? 571 HOH E O 1 HETATM 2674 O O . HOH F 6 . ? 12.294 36.149 10.761 0.93 45.66 ? 572 HOH E O 1 HETATM 2675 O O . HOH F 6 . ? 20.874 23.843 -3.391 0.96 48.68 ? 573 HOH E O 1 HETATM 2676 O O . HOH F 6 . ? 27.040 26.415 -3.736 1.00 53.11 ? 574 HOH E O 1 HETATM 2677 O O . HOH F 6 . ? 32.484 12.184 -0.406 1.00 53.12 ? 575 HOH E O 1 HETATM 2678 O O . HOH F 6 . ? -0.669 8.098 31.273 1.00 53.30 ? 576 HOH E O 1 HETATM 2679 O O . HOH F 6 . ? 36.860 25.860 20.694 0.87 40.95 ? 577 HOH E O 1 HETATM 2680 O O . HOH F 6 . ? -2.598 4.638 27.048 0.90 44.86 ? 578 HOH E O 1 HETATM 2681 O O . HOH F 6 . ? 44.517 3.104 28.204 1.00 55.55 ? 579 HOH E O 1 HETATM 2682 O O . HOH F 6 . ? 34.129 33.793 11.657 0.94 49.25 ? 580 HOH E O 1 HETATM 2683 O O . HOH F 6 . ? -5.683 -0.566 20.151 1.00 55.98 ? 581 HOH E O 1 HETATM 2684 O O . HOH F 6 . ? 46.703 12.264 5.481 0.85 40.53 ? 582 HOH E O 1 HETATM 2685 O O . HOH F 6 . ? 27.315 35.254 9.972 0.84 39.86 ? 583 HOH E O 1 HETATM 2686 O O . HOH F 6 . ? 29.543 34.823 19.883 0.83 39.09 ? 584 HOH E O 1 HETATM 2687 O O . HOH F 6 . ? 9.410 10.940 1.346 0.76 32.80 ? 585 HOH E O 1 HETATM 2688 O O . HOH F 6 . ? 14.404 38.152 7.918 0.92 48.39 ? 586 HOH E O 1 HETATM 2689 O O . HOH F 6 . ? 24.559 5.967 29.285 0.83 39.62 ? 587 HOH E O 1 HETATM 2690 O O . HOH F 6 . ? 24.323 0.740 29.132 0.91 47.72 ? 588 HOH E O 1 HETATM 2691 O O . HOH F 6 . ? 3.445 8.553 29.857 0.89 46.08 ? 589 HOH E O 1 HETATM 2692 O O . HOH F 6 . ? 2.806 8.915 8.295 0.82 39.23 ? 590 HOH E O 1 HETATM 2693 O O . HOH F 6 . ? 41.963 -1.020 6.473 1.00 58.37 ? 591 HOH E O 1 HETATM 2694 O O . HOH F 6 . ? 37.280 33.114 6.413 0.90 47.57 ? 592 HOH E O 1 HETATM 2695 O O . HOH F 6 . ? 7.130 17.827 33.406 0.95 53.52 ? 593 HOH E O 1 HETATM 2696 O O . HOH F 6 . ? 27.696 30.038 29.100 0.83 40.88 ? 594 HOH E O 1 HETATM 2697 O O . HOH F 6 . ? 33.137 25.056 -4.126 1.00 59.80 ? 595 HOH E O 1 HETATM 2698 O O . HOH F 6 . ? 23.151 34.411 22.023 0.87 45.52 ? 596 HOH E O 1 HETATM 2699 O O . HOH F 6 . ? -6.265 0.585 23.709 1.00 61.27 ? 597 HOH E O 1 HETATM 2700 O O . HOH F 6 . ? 9.204 -9.834 21.631 1.00 61.46 ? 598 HOH E O 1 HETATM 2701 O O . HOH F 6 . ? 2.334 22.952 31.320 1.00 61.53 ? 599 HOH E O 1 HETATM 2702 O O . HOH F 6 . ? 35.523 15.826 30.166 0.91 51.15 ? 600 HOH E O 1 HETATM 2703 O O . HOH F 6 . ? 21.382 36.996 12.729 0.89 50.01 ? 601 HOH E O 1 HETATM 2704 O O . HOH F 6 . ? 7.016 30.624 8.908 0.86 46.74 ? 602 HOH E O 1 HETATM 2705 O O . HOH F 6 . ? 4.695 13.568 35.357 0.94 56.43 ? 603 HOH E O 1 HETATM 2706 O O . HOH F 6 . ? -10.755 10.892 10.298 0.91 53.34 ? 604 HOH E O 1 HETATM 2707 O O . HOH F 6 . ? 37.687 22.639 27.071 0.91 53.68 ? 605 HOH E O 1 HETATM 2708 O O . HOH F 6 . ? 53.583 2.536 9.637 0.79 40.99 ? 606 HOH E O 1 HETATM 2709 O O . HOH F 6 . ? 33.500 4.197 27.707 0.78 40.11 ? 607 HOH E O 1 HETATM 2710 O O . HOH F 6 . ? -4.365 -1.993 14.123 0.90 53.70 ? 608 HOH E O 1 HETATM 2711 O O . HOH F 6 . ? 10.776 -1.597 12.338 0.87 52.49 ? 609 HOH E O 1 HETATM 2712 O O . HOH F 6 . ? 54.308 13.332 15.472 0.91 57.53 ? 610 HOH E O 1 HETATM 2713 O O . HOH F 6 . ? 21.085 13.624 -3.488 0.88 53.85 ? 611 HOH E O 1 HETATM 2714 O O . HOH F 6 . ? 25.603 -2.356 25.825 0.68 32.35 ? 612 HOH E O 1 HETATM 2715 O O . HOH F 6 . ? -9.122 12.692 24.033 0.76 41.85 ? 613 HOH E O 1 HETATM 2716 O O . HOH F 6 . ? 32.436 -2.890 25.850 0.82 48.83 ? 614 HOH E O 1 HETATM 2717 O O . HOH F 6 . ? -4.115 9.515 9.424 0.83 50.23 ? 615 HOH E O 1 HETATM 2718 O O . HOH F 6 . ? 9.403 4.773 8.309 0.78 44.46 ? 616 HOH E O 1 HETATM 2719 O O . HOH F 6 . ? 25.560 10.653 0.233 0.74 40.14 ? 617 HOH E O 1 HETATM 2720 O O . HOH F 6 . ? 15.786 6.824 25.102 0.87 55.60 ? 618 HOH E O 1 HETATM 2721 O O . HOH F 6 . ? 32.723 35.706 4.100 0.65 31.17 ? 619 HOH E O 1 HETATM 2722 O O . HOH F 6 . ? -7.034 14.108 26.187 0.80 47.89 ? 620 HOH E O 1 HETATM 2723 O O . HOH F 6 . ? 28.967 -3.074 13.953 0.72 39.62 ? 621 HOH E O 1 HETATM 2724 O O . HOH F 6 . ? 12.139 2.821 5.869 0.79 48.28 ? 622 HOH E O 1 HETATM 2725 O O . HOH F 6 . ? 6.394 19.497 7.459 0.74 42.38 ? 623 HOH E O 1 HETATM 2726 O O . HOH F 6 . ? 30.173 30.198 20.124 0.62 30.81 ? 624 HOH E O 1 HETATM 2727 O O . HOH F 6 . ? 20.603 -1.424 13.657 0.64 33.76 ? 625 HOH E O 1 HETATM 2728 O O . HOH F 6 . ? 19.419 37.351 15.151 0.83 58.07 ? 626 HOH E O 1 HETATM 2729 O O . HOH F 6 . ? -5.606 3.690 25.650 0.80 54.28 ? 627 HOH E O 1 HETATM 2730 O O . HOH F 6 . ? 28.365 -8.064 10.720 0.79 55.55 ? 628 HOH E O 1 HETATM 2731 O O . HOH F 6 . ? 6.843 6.009 4.873 0.82 61.99 ? 629 HOH E O 1 HETATM 2732 O O . HOH F 6 . ? 32.166 26.906 24.735 0.63 37.03 ? 630 HOH E O 1 HETATM 2733 O O . HOH F 6 . ? -2.215 21.531 29.497 0.75 52.86 ? 631 HOH E O 1 HETATM 2734 O O . HOH F 6 . ? 25.190 2.992 15.379 0.59 38.45 ? 632 HOH E O 1 HETATM 2735 O O . HOH F 6 . ? 27.901 12.343 -0.842 0.58 38.09 ? 633 HOH E O 1 HETATM 2736 O O . HOH F 6 . ? 9.051 34.845 13.444 0.56 40.52 ? 634 HOH E O 1 HETATM 2737 O O . HOH F 6 . ? 36.215 21.774 -2.196 0.58 48.94 ? 635 HOH E O 1 HETATM 2738 O O . HOH F 6 . ? 15.422 8.314 20.249 1.00 10.72 ? 636 HOH E O 1 HETATM 2739 O O . HOH F 6 . ? 14.572 6.866 22.419 0.98 41.19 ? 637 HOH E 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 # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 0P1 1 324 324 0P1 CBZ E . C 3 MAN 1 329 329 MAN MAN E . D 4 ARA 1 330 330 ARA XYS E . E 5 SO4 1 331 36 SO4 SO4 E . F 6 HOH 1 332 1 HOH HOH E . F 6 HOH 2 333 2 HOH HOH E . F 6 HOH 3 334 3 HOH HOH E . F 6 HOH 4 335 4 HOH HOH E . F 6 HOH 5 336 5 HOH HOH E . F 6 HOH 6 337 6 HOH HOH E . F 6 HOH 7 338 7 HOH HOH E . F 6 HOH 8 339 8 HOH HOH E . F 6 HOH 9 340 9 HOH HOH E . F 6 HOH 10 341 10 HOH HOH E . F 6 HOH 11 342 11 HOH HOH E . F 6 HOH 12 343 12 HOH HOH E . F 6 HOH 13 344 13 HOH HOH E . F 6 HOH 14 345 15 HOH HOH E . F 6 HOH 15 346 16 HOH HOH E . F 6 HOH 16 347 17 HOH HOH E . F 6 HOH 17 348 18 HOH HOH E . F 6 HOH 18 349 19 HOH HOH E . F 6 HOH 19 350 20 HOH HOH E . F 6 HOH 20 351 21 HOH HOH E . F 6 HOH 21 352 22 HOH HOH E . F 6 HOH 22 353 23 HOH HOH E . F 6 HOH 23 354 24 HOH HOH E . F 6 HOH 24 355 25 HOH HOH E . F 6 HOH 25 356 26 HOH HOH E . F 6 HOH 26 357 27 HOH HOH E . F 6 HOH 27 358 28 HOH HOH E . F 6 HOH 28 359 29 HOH HOH E . F 6 HOH 29 360 30 HOH HOH E . F 6 HOH 30 361 31 HOH HOH E . F 6 HOH 31 362 32 HOH HOH E . F 6 HOH 32 363 33 HOH HOH E . F 6 HOH 33 364 34 HOH HOH E . F 6 HOH 34 365 35 HOH HOH E . F 6 HOH 35 366 37 HOH HOH E . F 6 HOH 36 367 38 HOH HOH E . F 6 HOH 37 368 40 HOH HOH E . F 6 HOH 38 369 41 HOH HOH E . F 6 HOH 39 370 42 HOH HOH E . F 6 HOH 40 371 44 HOH HOH E . F 6 HOH 41 372 45 HOH HOH E . F 6 HOH 42 373 46 HOH HOH E . F 6 HOH 43 374 47 HOH HOH E . F 6 HOH 44 375 48 HOH HOH E . F 6 HOH 45 376 49 HOH HOH E . F 6 HOH 46 377 50 HOH HOH E . F 6 HOH 47 378 51 HOH HOH E . F 6 HOH 48 379 53 HOH HOH E . F 6 HOH 49 380 54 HOH HOH E . F 6 HOH 50 381 55 HOH HOH E . F 6 HOH 51 382 56 HOH HOH E . F 6 HOH 52 383 57 HOH HOH E . F 6 HOH 53 384 58 HOH HOH E . F 6 HOH 54 385 59 HOH HOH E . F 6 HOH 55 386 62 HOH HOH E . F 6 HOH 56 387 63 HOH HOH E . F 6 HOH 57 388 64 HOH HOH E . F 6 HOH 58 389 65 HOH HOH E . F 6 HOH 59 390 66 HOH HOH E . F 6 HOH 60 391 67 HOH HOH E . F 6 HOH 61 392 68 HOH HOH E . F 6 HOH 62 393 69 HOH HOH E . F 6 HOH 63 394 71 HOH HOH E . F 6 HOH 64 395 72 HOH HOH E . F 6 HOH 65 396 73 HOH HOH E . F 6 HOH 66 397 74 HOH HOH E . F 6 HOH 67 398 75 HOH HOH E . F 6 HOH 68 399 76 HOH HOH E . F 6 HOH 69 400 77 HOH HOH E . F 6 HOH 70 401 78 HOH HOH E . F 6 HOH 71 402 79 HOH HOH E . F 6 HOH 72 403 80 HOH HOH E . F 6 HOH 73 404 83 HOH HOH E . F 6 HOH 74 405 85 HOH HOH E . F 6 HOH 75 406 86 HOH HOH E . F 6 HOH 76 407 87 HOH HOH E . F 6 HOH 77 408 89 HOH HOH E . F 6 HOH 78 409 90 HOH HOH E . F 6 HOH 79 410 92 HOH HOH E . F 6 HOH 80 411 93 HOH HOH E . F 6 HOH 81 412 94 HOH HOH E . F 6 HOH 82 413 95 HOH HOH E . F 6 HOH 83 414 96 HOH HOH E . F 6 HOH 84 415 97 HOH HOH E . F 6 HOH 85 416 98 HOH HOH E . F 6 HOH 86 417 99 HOH HOH E . F 6 HOH 87 418 100 HOH HOH E . F 6 HOH 88 419 101 HOH HOH E . F 6 HOH 89 420 102 HOH HOH E . F 6 HOH 90 421 103 HOH HOH E . F 6 HOH 91 422 104 HOH HOH E . F 6 HOH 92 423 105 HOH HOH E . F 6 HOH 93 424 106 HOH HOH E . F 6 HOH 94 425 107 HOH HOH E . F 6 HOH 95 426 109 HOH HOH E . F 6 HOH 96 427 110 HOH HOH E . F 6 HOH 97 428 112 HOH HOH E . F 6 HOH 98 429 113 HOH HOH E . F 6 HOH 99 430 114 HOH HOH E . F 6 HOH 100 431 115 HOH HOH E . F 6 HOH 101 432 116 HOH HOH E . F 6 HOH 102 433 119 HOH HOH E . F 6 HOH 103 434 120 HOH HOH E . F 6 HOH 104 435 121 HOH HOH E . F 6 HOH 105 436 122 HOH HOH E . F 6 HOH 106 437 124 HOH HOH E . F 6 HOH 107 438 125 HOH HOH E . F 6 HOH 108 439 126 HOH HOH E . F 6 HOH 109 440 127 HOH HOH E . F 6 HOH 110 441 128 HOH HOH E . F 6 HOH 111 442 131 HOH HOH E . F 6 HOH 112 443 132 HOH HOH E . F 6 HOH 113 444 134 HOH HOH E . F 6 HOH 114 445 135 HOH HOH E . F 6 HOH 115 446 137 HOH HOH E . F 6 HOH 116 447 138 HOH HOH E . F 6 HOH 117 448 140 HOH HOH E . F 6 HOH 118 449 141 HOH HOH E . F 6 HOH 119 450 142 HOH HOH E . F 6 HOH 120 451 143 HOH HOH E . F 6 HOH 121 452 144 HOH HOH E . F 6 HOH 122 453 146 HOH HOH E . F 6 HOH 123 454 147 HOH HOH E . F 6 HOH 124 455 148 HOH HOH E . F 6 HOH 125 456 150 HOH HOH E . F 6 HOH 126 457 153 HOH HOH E . F 6 HOH 127 458 154 HOH HOH E . F 6 HOH 128 459 156 HOH HOH E . F 6 HOH 129 460 157 HOH HOH E . F 6 HOH 130 461 158 HOH HOH E . F 6 HOH 131 462 161 HOH HOH E . F 6 HOH 132 463 162 HOH HOH E . F 6 HOH 133 464 165 HOH HOH E . F 6 HOH 134 465 169 HOH HOH E . F 6 HOH 135 466 170 HOH HOH E . F 6 HOH 136 467 173 HOH HOH E . F 6 HOH 137 468 174 HOH HOH E . F 6 HOH 138 469 176 HOH HOH E . F 6 HOH 139 470 177 HOH HOH E . F 6 HOH 140 471 178 HOH HOH E . F 6 HOH 141 472 179 HOH HOH E . F 6 HOH 142 473 180 HOH HOH E . F 6 HOH 143 474 182 HOH HOH E . F 6 HOH 144 475 184 HOH HOH E . F 6 HOH 145 476 185 HOH HOH E . F 6 HOH 146 477 188 HOH HOH E . F 6 HOH 147 478 190 HOH HOH E . F 6 HOH 148 479 191 HOH HOH E . F 6 HOH 149 480 192 HOH HOH E . F 6 HOH 150 481 196 HOH HOH E . F 6 HOH 151 482 197 HOH HOH E . F 6 HOH 152 483 198 HOH HOH E . F 6 HOH 153 484 201 HOH HOH E . F 6 HOH 154 485 202 HOH HOH E . F 6 HOH 155 486 203 HOH HOH E . F 6 HOH 156 487 204 HOH HOH E . F 6 HOH 157 488 205 HOH HOH E . F 6 HOH 158 489 206 HOH HOH E . F 6 HOH 159 490 207 HOH HOH E . F 6 HOH 160 491 208 HOH HOH E . F 6 HOH 161 492 209 HOH HOH E . F 6 HOH 162 493 210 HOH HOH E . F 6 HOH 163 494 211 HOH HOH E . F 6 HOH 164 495 212 HOH HOH E . F 6 HOH 165 496 213 HOH HOH E . F 6 HOH 166 497 214 HOH HOH E . F 6 HOH 167 498 215 HOH HOH E . F 6 HOH 168 499 216 HOH HOH E . F 6 HOH 169 500 217 HOH HOH E . F 6 HOH 170 501 218 HOH HOH E . F 6 HOH 171 502 219 HOH HOH E . F 6 HOH 172 503 220 HOH HOH E . F 6 HOH 173 504 221 HOH HOH E . F 6 HOH 174 505 222 HOH HOH E . F 6 HOH 175 506 223 HOH HOH E . F 6 HOH 176 507 224 HOH HOH E . F 6 HOH 177 508 225 HOH HOH E . F 6 HOH 178 509 226 HOH HOH E . F 6 HOH 179 510 227 HOH HOH E . F 6 HOH 180 511 228 HOH HOH E . F 6 HOH 181 512 229 HOH HOH E . F 6 HOH 182 513 230 HOH HOH E . F 6 HOH 183 514 231 HOH HOH E . F 6 HOH 184 515 232 HOH HOH E . F 6 HOH 185 516 233 HOH HOH E . F 6 HOH 186 517 234 HOH HOH E . F 6 HOH 187 518 235 HOH HOH E . F 6 HOH 188 519 236 HOH HOH E . F 6 HOH 189 520 237 HOH HOH E . F 6 HOH 190 521 238 HOH HOH E . F 6 HOH 191 522 239 HOH HOH E . F 6 HOH 192 523 240 HOH HOH E . F 6 HOH 193 524 241 HOH HOH E . F 6 HOH 194 525 242 HOH HOH E . F 6 HOH 195 526 243 HOH HOH E . F 6 HOH 196 527 244 HOH HOH E . F 6 HOH 197 528 245 HOH HOH E . F 6 HOH 198 529 246 HOH HOH E . F 6 HOH 199 530 247 HOH HOH E . F 6 HOH 200 531 248 HOH HOH E . F 6 HOH 201 532 249 HOH HOH E . F 6 HOH 202 533 250 HOH HOH E . F 6 HOH 203 534 251 HOH HOH E . F 6 HOH 204 535 253 HOH HOH E . F 6 HOH 205 536 254 HOH HOH E . F 6 HOH 206 537 255 HOH HOH E . F 6 HOH 207 538 256 HOH HOH E . F 6 HOH 208 539 257 HOH HOH E . F 6 HOH 209 540 258 HOH HOH E . F 6 HOH 210 541 259 HOH HOH E . F 6 HOH 211 542 260 HOH HOH E . F 6 HOH 212 543 261 HOH HOH E . F 6 HOH 213 544 262 HOH HOH E . F 6 HOH 214 545 263 HOH HOH E . F 6 HOH 215 546 264 HOH HOH E . F 6 HOH 216 547 265 HOH HOH E . F 6 HOH 217 548 266 HOH HOH E . F 6 HOH 218 549 267 HOH HOH E . F 6 HOH 219 550 268 HOH HOH E . F 6 HOH 220 551 269 HOH HOH E . F 6 HOH 221 552 270 HOH HOH E . F 6 HOH 222 553 271 HOH HOH E . F 6 HOH 223 554 272 HOH HOH E . F 6 HOH 224 555 273 HOH HOH E . F 6 HOH 225 556 274 HOH HOH E . F 6 HOH 226 557 275 HOH HOH E . F 6 HOH 227 558 276 HOH HOH E . F 6 HOH 228 559 277 HOH HOH E . F 6 HOH 229 560 278 HOH HOH E . F 6 HOH 230 561 279 HOH HOH E . F 6 HOH 231 562 280 HOH HOH E . F 6 HOH 232 563 281 HOH HOH E . F 6 HOH 233 564 282 HOH HOH E . F 6 HOH 234 565 283 HOH HOH E . F 6 HOH 235 566 284 HOH HOH E . F 6 HOH 236 567 285 HOH HOH E . F 6 HOH 237 568 286 HOH HOH E . F 6 HOH 238 569 287 HOH HOH E . F 6 HOH 239 570 288 HOH HOH E . F 6 HOH 240 571 289 HOH HOH E . F 6 HOH 241 572 290 HOH HOH E . F 6 HOH 242 573 291 HOH HOH E . F 6 HOH 243 574 292 HOH HOH E . F 6 HOH 244 575 293 HOH HOH E . F 6 HOH 245 576 294 HOH HOH E . F 6 HOH 246 577 295 HOH HOH E . F 6 HOH 247 578 296 HOH HOH E . F 6 HOH 248 579 297 HOH HOH E . F 6 HOH 249 580 298 HOH HOH E . F 6 HOH 250 581 299 HOH HOH E . F 6 HOH 251 582 300 HOH HOH E . F 6 HOH 252 583 301 HOH HOH E . F 6 HOH 253 584 302 HOH HOH E . F 6 HOH 254 585 303 HOH HOH E . F 6 HOH 255 586 304 HOH HOH E . F 6 HOH 256 587 305 HOH HOH E . F 6 HOH 257 588 306 HOH HOH E . F 6 HOH 258 589 307 HOH HOH E . F 6 HOH 259 590 308 HOH HOH E . F 6 HOH 260 591 309 HOH HOH E . F 6 HOH 261 592 310 HOH HOH E . F 6 HOH 262 593 311 HOH HOH E . F 6 HOH 263 594 312 HOH HOH E . F 6 HOH 264 595 313 HOH HOH E . F 6 HOH 265 596 314 HOH HOH E . F 6 HOH 266 597 315 HOH HOH E . F 6 HOH 267 598 316 HOH HOH E . F 6 HOH 268 599 317 HOH HOH E . F 6 HOH 269 600 318 HOH HOH E . F 6 HOH 270 601 319 HOH HOH E . F 6 HOH 271 602 320 HOH HOH E . F 6 HOH 272 603 321 HOH HOH E . F 6 HOH 273 604 322 HOH HOH E . F 6 HOH 274 605 323 HOH HOH E . F 6 HOH 275 606 324 HOH HOH E . F 6 HOH 276 607 325 HOH HOH E . F 6 HOH 277 608 326 HOH HOH E . F 6 HOH 278 609 327 HOH HOH E . F 6 HOH 279 610 328 HOH HOH E . F 6 HOH 280 611 329 HOH HOH E . F 6 HOH 281 612 330 HOH HOH E . F 6 HOH 282 613 331 HOH HOH E . F 6 HOH 283 614 332 HOH HOH E . F 6 HOH 284 615 333 HOH HOH E . F 6 HOH 285 616 334 HOH HOH E . F 6 HOH 286 617 335 HOH HOH E . F 6 HOH 287 618 336 HOH HOH E . F 6 HOH 288 619 337 HOH HOH E . F 6 HOH 289 620 338 HOH HOH E . F 6 HOH 290 621 339 HOH HOH E . F 6 HOH 291 622 340 HOH HOH E . F 6 HOH 292 623 341 HOH HOH E . F 6 HOH 293 624 342 HOH HOH E . F 6 HOH 294 625 343 HOH HOH E . F 6 HOH 295 626 344 HOH HOH E . F 6 HOH 296 627 345 HOH HOH E . F 6 HOH 297 628 346 HOH HOH E . F 6 HOH 298 629 347 HOH HOH E . F 6 HOH 299 630 348 HOH HOH E . F 6 HOH 300 631 349 HOH HOH E . F 6 HOH 301 632 350 HOH HOH E . F 6 HOH 302 633 351 HOH HOH E . F 6 HOH 303 634 352 HOH HOH E . F 6 HOH 304 635 353 HOH HOH E . F 6 HOH 305 636 52 HOH HOH E . F 6 HOH 306 637 252 HOH HOH E . # _pdbx_molecule_features.prd_id PRD_000328 _pdbx_molecule_features.name 'Cbz-Ala-Ala-Leu(P)-(O)-Phe-OMe' _pdbx_molecule_features.type Peptide-like _pdbx_molecule_features.class Inhibitor _pdbx_molecule_features.details ? # _pdbx_molecule.instance_id 1 _pdbx_molecule.prd_id PRD_000328 _pdbx_molecule.asym_id B # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 A SER 3 E SER 3 ? SER 'GLYCOSYLATION SITE' 2 A THR 7 E THR 7 ? THR 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F # _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 374 _pdbx_struct_special_symmetry.PDB_ins_code ? _pdbx_struct_special_symmetry.label_asym_id F _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 1993-10-31 2 'Structure model' 1 1 2008-03-03 3 'Structure model' 1 2 2011-07-13 4 'Structure model' 1 3 2012-12-12 # _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' 8 4 'Structure model' Other # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal X-PLOR 'model building' . ? 1 PROLSQ refinement . ? 2 X-PLOR refinement . ? 3 X-PLOR phasing . ? 4 # _pdbx_entry_details.entry_id 1PPM _pdbx_entry_details.compound_details ? _pdbx_entry_details.source_details ? _pdbx_entry_details.nonpolymer_details 'XYS IS POORLY DEFINED IN THE ELECTRON DENSITY' _pdbx_entry_details.sequence_details ? # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 O E HOH 419 ? ? O E HOH 494 ? ? 1.81 2 1 OH E TYR 175 ? ? O4 E SO4 331 ? ? 2.12 # 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 ALA 2 ? ? CA E ALA 2 ? ? C E ALA 2 ? ? 119.80 110.10 9.70 1.50 N 2 1 N E ALA 61 ? ? CA E ALA 61 ? ? CB E ALA 61 ? ? 100.74 110.10 -9.36 1.40 N 3 1 CB E ASP 142 ? ? CG E ASP 142 ? ? OD1 E ASP 142 ? ? 128.03 118.30 9.73 0.90 N 4 1 CG E GLN 160 ? ? CD E GLN 160 ? ? NE2 E GLN 160 ? ? 134.11 116.70 17.41 2.40 N 5 1 CB E TYR 165 ? ? CG E TYR 165 ? ? CD2 E TYR 165 ? ? 115.95 121.00 -5.05 0.60 N 6 1 CB E TYR 165 ? ? CG E TYR 165 ? ? CD1 E TYR 165 ? ? 124.81 121.00 3.81 0.60 N 7 1 CB E ASP 196 ? ? CG E ASP 196 ? ? OD1 E ASP 196 ? ? 111.52 118.30 -6.78 0.90 N 8 1 CB E ASP 222 ? ? CG E ASP 222 ? ? OD1 E ASP 222 ? ? 126.77 118.30 8.47 0.90 N 9 1 CB E ASP 222 ? ? CG E ASP 222 ? ? OD2 E ASP 222 ? ? 109.75 118.30 -8.55 0.90 N 10 1 CB E TYR 245 ? ? CG E TYR 245 ? ? CD2 E TYR 245 ? ? 117.15 121.00 -3.85 0.60 N 11 1 CB E ASP 248 ? ? CG E ASP 248 ? ? OD2 E ASP 248 ? ? 128.07 118.30 9.77 0.90 N 12 1 N E SER 281 ? ? CA E SER 281 ? ? CB E SER 281 ? ? 98.66 110.50 -11.84 1.50 N 13 1 CB E ASP 311 ? ? CG E ASP 311 ? ? OD1 E ASP 311 ? ? 123.83 118.30 5.53 0.90 N 14 1 CB E ASP 311 ? ? CG E ASP 311 ? ? OD2 E ASP 311 ? ? 112.30 118.30 -6.00 0.90 N 15 1 CB E ASP 313 ? ? CG E ASP 313 ? ? OD1 E ASP 313 ? ? 125.15 118.30 6.85 0.90 N 16 1 CB E ASP 313 ? ? CG E ASP 313 ? ? OD2 E ASP 313 ? ? 109.88 118.30 -8.42 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 ASN E 13 ? ? 57.61 19.73 2 1 ASP E 279 ? ? -112.01 77.21 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 ;N-[(benzyloxy)carbonyl]-L-alanyl-N-{(1S)-1-[(R)-[(1R)-1-benzyl-2-methoxy-2-oxoethoxy](hydroxy)phosphoryl]-3-methylbutyl}-L-alaninamide ; 0P1 3 ALPHA-D-MANNOSE MAN 4 ALPHA-L-ARABINOSE ARA 5 'SULFATE ION' SO4 6 water HOH #