data_5EZI # _entry.id 5EZI # _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 5EZI WWPDB D_1000215760 # _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.entry_id 5EZI _pdbx_database_status.recvd_initial_deposition_date 2015-11-26 _pdbx_database_status.SG_entry N _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site PDBE _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal _audit_author.identifier_ORCID 'Favuzza, P.' 1 ? 'Pluschke, G.' 2 ? 'Rudolph, M.G.' 3 ? # _citation.abstract ? _citation.abstract_id_CAS ? _citation.book_id_ISBN ? _citation.book_publisher ? _citation.book_publisher_city ? _citation.book_title ? _citation.coordinate_linkage ? _citation.country US _citation.database_id_Medline ? _citation.details ? _citation.id primary _citation.journal_abbrev Elife _citation.journal_id_ASTM ? _citation.journal_id_CSD ? _citation.journal_id_ISSN 2050-084X _citation.journal_full ? _citation.journal_issue ? _citation.journal_volume 6 _citation.language ? _citation.page_first ? _citation.page_last ? _citation.title 'Structure of the malaria vaccine candidate antigen CyRPA and its complex with a parasite invasion inhibitory antibody.' _citation.year 2017 _citation.database_id_CSD ? _citation.pdbx_database_id_DOI 10.7554/eLife.20383 _citation.pdbx_database_id_PubMed 28195038 _citation.unpublished_flag ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Favuzza, P.' 1 primary 'Guffart, E.' 2 primary 'Tamborrini, M.' 3 primary 'Scherer, B.' 4 primary 'Dreyer, A.M.' 5 primary 'Rufer, A.C.' 6 primary 'Erny, J.' 7 primary 'Hoernschemeyer, J.' 8 primary 'Thoma, R.' 9 primary 'Schmid, G.' 10 primary 'Gsell, B.' 11 primary 'Lamelas, A.' 12 primary 'Benz, J.' 13 primary 'Joseph, C.' 14 primary 'Matile, H.' 15 primary 'Pluschke, G.' 16 primary 'Rudolph, M.G.' 17 # _cell.entry_id 5EZI _cell.length_a 82.700 _cell.length_b 82.700 _cell.length_c 361.880 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 120.00 _cell.Z_PDB 12 _cell.pdbx_unique_axis ? # _symmetry.entry_id 5EZI _symmetry.space_group_name_H-M 'P 65 2 2' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 179 # 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 'Fab c12 heavy chain' 23676.471 1 ? ? ? ? 2 polymer man 'Fab c12 Light chain' 23684.289 1 ? ? ? ? 3 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 4 ? ? ? ? 4 non-polymer man BETA-D-MANNOSE 180.156 1 ? ? ? ? 5 non-polymer man ALPHA-D-MANNOSE 180.156 2 ? ? ? ? 6 non-polymer man BETA-D-GALACTOSE 180.156 1 ? ? ? ? 7 non-polymer man ALPHA-L-FUCOSE 164.156 1 ? ? ? ? 8 non-polymer syn 'CHLORIDE ION' 35.453 1 ? ? ? ? 9 water nat water 18.015 444 ? ? ? ? # loop_ _entity_poly.entity_id _entity_poly.type _entity_poly.nstd_linkage _entity_poly.nstd_monomer _entity_poly.pdbx_seq_one_letter_code _entity_poly.pdbx_seq_one_letter_code_can _entity_poly.pdbx_strand_id _entity_poly.pdbx_target_identifier 1 'polypeptide(L)' no no ;NVNLLESGGGLVQPGGSLNLSCAASGFDFSRYWMSWARQAPGKGQEWIGEINPGSSTIKYTPSLKDKFIISRDNAKNTLY LQMSKVSSEDTALYYCARYGSYVYAMDYWGPGTSVTVSSAKTTAPSVYPLAPVCGDTTGSSVTLGCLVKGYFPEPVTLTW NSGSLSSGVHTFPAVLQSDLYTLSSSVTVTSSTWPSQSITCNVAHPASSTKVDKKIEPRGPT ; ;NVNLLESGGGLVQPGGSLNLSCAASGFDFSRYWMSWARQAPGKGQEWIGEINPGSSTIKYTPSLKDKFIISRDNAKNTLY LQMSKVSSEDTALYYCARYGSYVYAMDYWGPGTSVTVSSAKTTAPSVYPLAPVCGDTTGSSVTLGCLVKGYFPEPVTLTW NSGSLSSGVHTFPAVLQSDLYTLSSSVTVTSSTWPSQSITCNVAHPASSTKVDKKIEPRGPT ; H ? 2 'polypeptide(L)' no no ;SIVMTQTPKFLLVSAGDRITITCKASQSVRNDVAWYQQKPGQSPKLLIYFASNRYTGVPDRFTGSGSGTDFTFTISTVQA EDLAVYFCQQGYTSPRTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVL NSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC ; ;SIVMTQTPKFLLVSAGDRITITCKASQSVRNDVAWYQQKPGQSPKLLIYFASNRYTGVPDRFTGSGSGTDFTFTISTVQA EDLAVYFCQQGYTSPRTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVL NSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC ; L ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 ASN n 1 2 VAL n 1 3 ASN n 1 4 LEU n 1 5 LEU n 1 6 GLU n 1 7 SER n 1 8 GLY n 1 9 GLY n 1 10 GLY n 1 11 LEU n 1 12 VAL n 1 13 GLN n 1 14 PRO n 1 15 GLY n 1 16 GLY n 1 17 SER n 1 18 LEU n 1 19 ASN n 1 20 LEU n 1 21 SER n 1 22 CYS n 1 23 ALA n 1 24 ALA n 1 25 SER n 1 26 GLY n 1 27 PHE n 1 28 ASP n 1 29 PHE n 1 30 SER n 1 31 ARG n 1 32 TYR n 1 33 TRP n 1 34 MET n 1 35 SER n 1 36 TRP n 1 37 ALA n 1 38 ARG n 1 39 GLN n 1 40 ALA n 1 41 PRO n 1 42 GLY n 1 43 LYS n 1 44 GLY n 1 45 GLN n 1 46 GLU n 1 47 TRP n 1 48 ILE n 1 49 GLY n 1 50 GLU n 1 51 ILE n 1 52 ASN n 1 53 PRO n 1 54 GLY n 1 55 SER n 1 56 SER n 1 57 THR n 1 58 ILE n 1 59 LYS n 1 60 TYR n 1 61 THR n 1 62 PRO n 1 63 SER n 1 64 LEU n 1 65 LYS n 1 66 ASP n 1 67 LYS n 1 68 PHE n 1 69 ILE n 1 70 ILE n 1 71 SER n 1 72 ARG n 1 73 ASP n 1 74 ASN n 1 75 ALA n 1 76 LYS n 1 77 ASN n 1 78 THR n 1 79 LEU n 1 80 TYR n 1 81 LEU n 1 82 GLN n 1 83 MET n 1 84 SER n 1 85 LYS n 1 86 VAL n 1 87 SER n 1 88 SER n 1 89 GLU n 1 90 ASP n 1 91 THR n 1 92 ALA n 1 93 LEU n 1 94 TYR n 1 95 TYR n 1 96 CYS n 1 97 ALA n 1 98 ARG n 1 99 TYR n 1 100 GLY n 1 101 SER n 1 102 TYR n 1 103 VAL n 1 104 TYR n 1 105 ALA n 1 106 MET n 1 107 ASP n 1 108 TYR n 1 109 TRP n 1 110 GLY n 1 111 PRO n 1 112 GLY n 1 113 THR n 1 114 SER n 1 115 VAL n 1 116 THR n 1 117 VAL n 1 118 SER n 1 119 SER n 1 120 ALA n 1 121 LYS n 1 122 THR n 1 123 THR n 1 124 ALA n 1 125 PRO n 1 126 SER n 1 127 VAL n 1 128 TYR n 1 129 PRO n 1 130 LEU n 1 131 ALA n 1 132 PRO n 1 133 VAL n 1 134 CYS n 1 135 GLY n 1 136 ASP n 1 137 THR n 1 138 THR n 1 139 GLY n 1 140 SER n 1 141 SER n 1 142 VAL n 1 143 THR n 1 144 LEU n 1 145 GLY n 1 146 CYS n 1 147 LEU n 1 148 VAL n 1 149 LYS n 1 150 GLY n 1 151 TYR n 1 152 PHE n 1 153 PRO n 1 154 GLU n 1 155 PRO n 1 156 VAL n 1 157 THR n 1 158 LEU n 1 159 THR n 1 160 TRP n 1 161 ASN n 1 162 SER n 1 163 GLY n 1 164 SER n 1 165 LEU n 1 166 SER n 1 167 SER n 1 168 GLY n 1 169 VAL n 1 170 HIS n 1 171 THR n 1 172 PHE n 1 173 PRO n 1 174 ALA n 1 175 VAL n 1 176 LEU n 1 177 GLN n 1 178 SER n 1 179 ASP n 1 180 LEU n 1 181 TYR n 1 182 THR n 1 183 LEU n 1 184 SER n 1 185 SER n 1 186 SER n 1 187 VAL n 1 188 THR n 1 189 VAL n 1 190 THR n 1 191 SER n 1 192 SER n 1 193 THR n 1 194 TRP n 1 195 PRO n 1 196 SER n 1 197 GLN n 1 198 SER n 1 199 ILE n 1 200 THR n 1 201 CYS n 1 202 ASN n 1 203 VAL n 1 204 ALA n 1 205 HIS n 1 206 PRO n 1 207 ALA n 1 208 SER n 1 209 SER n 1 210 THR n 1 211 LYS n 1 212 VAL n 1 213 ASP n 1 214 LYS n 1 215 LYS n 1 216 ILE n 1 217 GLU n 1 218 PRO n 1 219 ARG n 1 220 GLY n 1 221 PRO n 1 222 THR n 2 1 SER n 2 2 ILE n 2 3 VAL n 2 4 MET n 2 5 THR n 2 6 GLN n 2 7 THR n 2 8 PRO n 2 9 LYS n 2 10 PHE n 2 11 LEU n 2 12 LEU n 2 13 VAL n 2 14 SER n 2 15 ALA n 2 16 GLY n 2 17 ASP n 2 18 ARG n 2 19 ILE n 2 20 THR n 2 21 ILE n 2 22 THR n 2 23 CYS n 2 24 LYS n 2 25 ALA n 2 26 SER n 2 27 GLN n 2 28 SER n 2 29 VAL n 2 30 ARG n 2 31 ASN n 2 32 ASP n 2 33 VAL n 2 34 ALA n 2 35 TRP n 2 36 TYR n 2 37 GLN n 2 38 GLN n 2 39 LYS n 2 40 PRO n 2 41 GLY n 2 42 GLN n 2 43 SER n 2 44 PRO n 2 45 LYS n 2 46 LEU n 2 47 LEU n 2 48 ILE n 2 49 TYR n 2 50 PHE n 2 51 ALA n 2 52 SER n 2 53 ASN n 2 54 ARG n 2 55 TYR n 2 56 THR n 2 57 GLY n 2 58 VAL n 2 59 PRO n 2 60 ASP n 2 61 ARG n 2 62 PHE n 2 63 THR n 2 64 GLY n 2 65 SER n 2 66 GLY n 2 67 SER n 2 68 GLY n 2 69 THR n 2 70 ASP n 2 71 PHE n 2 72 THR n 2 73 PHE n 2 74 THR n 2 75 ILE n 2 76 SER n 2 77 THR n 2 78 VAL n 2 79 GLN n 2 80 ALA n 2 81 GLU n 2 82 ASP n 2 83 LEU n 2 84 ALA n 2 85 VAL n 2 86 TYR n 2 87 PHE n 2 88 CYS n 2 89 GLN n 2 90 GLN n 2 91 GLY n 2 92 TYR n 2 93 THR n 2 94 SER n 2 95 PRO n 2 96 ARG n 2 97 THR n 2 98 PHE n 2 99 GLY n 2 100 GLY n 2 101 GLY n 2 102 THR n 2 103 LYS n 2 104 LEU n 2 105 GLU n 2 106 ILE n 2 107 LYS n 2 108 ARG n 2 109 ALA n 2 110 ASP n 2 111 ALA n 2 112 ALA n 2 113 PRO n 2 114 THR n 2 115 VAL n 2 116 SER n 2 117 ILE n 2 118 PHE n 2 119 PRO n 2 120 PRO n 2 121 SER n 2 122 SER n 2 123 GLU n 2 124 GLN n 2 125 LEU n 2 126 THR n 2 127 SER n 2 128 GLY n 2 129 GLY n 2 130 ALA n 2 131 SER n 2 132 VAL n 2 133 VAL n 2 134 CYS n 2 135 PHE n 2 136 LEU n 2 137 ASN n 2 138 ASN n 2 139 PHE n 2 140 TYR n 2 141 PRO n 2 142 LYS n 2 143 ASP n 2 144 ILE n 2 145 ASN n 2 146 VAL n 2 147 LYS n 2 148 TRP n 2 149 LYS n 2 150 ILE n 2 151 ASP n 2 152 GLY n 2 153 SER n 2 154 GLU n 2 155 ARG n 2 156 GLN n 2 157 ASN n 2 158 GLY n 2 159 VAL n 2 160 LEU n 2 161 ASN n 2 162 SER n 2 163 TRP n 2 164 THR n 2 165 ASP n 2 166 GLN n 2 167 ASP n 2 168 SER n 2 169 LYS n 2 170 ASP n 2 171 SER n 2 172 THR n 2 173 TYR n 2 174 SER n 2 175 MET n 2 176 SER n 2 177 SER n 2 178 THR n 2 179 LEU n 2 180 THR n 2 181 LEU n 2 182 THR n 2 183 LYS n 2 184 ASP n 2 185 GLU n 2 186 TYR n 2 187 GLU n 2 188 ARG n 2 189 HIS n 2 190 ASN n 2 191 SER n 2 192 TYR n 2 193 THR n 2 194 CYS n 2 195 GLU n 2 196 ALA n 2 197 THR n 2 198 HIS n 2 199 LYS n 2 200 THR n 2 201 SER n 2 202 THR n 2 203 SER n 2 204 PRO n 2 205 ILE n 2 206 VAL n 2 207 LYS n 2 208 SER n 2 209 PHE n 2 210 ASN n 2 211 ARG n 2 212 ASN n 2 213 GLU n 2 214 CYS n # loop_ _entity_src_gen.entity_id _entity_src_gen.pdbx_src_id _entity_src_gen.pdbx_alt_source_flag _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 _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id _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 1 1 sample 'Biological sequence' 1 222 human ? ? ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? human 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 2 1 sample 'Biological sequence' 1 214 human ? ? ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? human 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? # loop_ _struct_ref.id _struct_ref.db_name _struct_ref.db_code _struct_ref.pdbx_db_accession _struct_ref.pdbx_db_isoform _struct_ref.entity_id _struct_ref.pdbx_seq_one_letter_code _struct_ref.pdbx_align_begin 1 PDB 5EZI 5EZI ? 1 ? 1 2 PDB 5EZI 5EZI ? 2 ? 1 # loop_ _struct_ref_seq.align_id _struct_ref_seq.ref_id _struct_ref_seq.pdbx_PDB_id_code _struct_ref_seq.pdbx_strand_id _struct_ref_seq.seq_align_beg _struct_ref_seq.pdbx_seq_align_beg_ins_code _struct_ref_seq.seq_align_end _struct_ref_seq.pdbx_seq_align_end_ins_code _struct_ref_seq.pdbx_db_accession _struct_ref_seq.db_align_beg _struct_ref_seq.pdbx_db_align_beg_ins_code _struct_ref_seq.db_align_end _struct_ref_seq.pdbx_db_align_end_ins_code _struct_ref_seq.pdbx_auth_seq_align_beg _struct_ref_seq.pdbx_auth_seq_align_end 1 1 5EZI H 1 ? 222 ? 5EZI 15 ? 236 ? 15 236 2 2 5EZI L 1 ? 214 ? 5EZI 25 ? 238 ? 25 238 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 BMA D-saccharide . BETA-D-MANNOSE ? 'C6 H12 O6' 180.156 CL non-polymer . 'CHLORIDE ION' ? 'Cl -1' 35.453 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 FUC saccharide . ALPHA-L-FUCOSE ? 'C6 H12 O5' 164.156 GAL D-saccharide . BETA-D-GALACTOSE ? 'C6 H12 O6' 180.156 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MAN D-saccharide . ALPHA-D-MANNOSE ? 'C6 H12 O6' 180.156 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.absorpt_coefficient_mu ? _exptl.absorpt_correction_T_max ? _exptl.absorpt_correction_T_min ? _exptl.absorpt_correction_type ? _exptl.absorpt_process_details ? _exptl.entry_id 5EZI _exptl.crystals_number 1 _exptl.details ? _exptl.method 'X-RAY DIFFRACTION' _exptl.method_details ? # _exptl_crystal.colour ? _exptl_crystal.density_diffrn ? _exptl_crystal.density_Matthews 3.77 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 67.39 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.id 1 _exptl_crystal.preparation ? _exptl_crystal.size_max ? _exptl_crystal.size_mid ? _exptl_crystal.size_min ? _exptl_crystal.size_rad ? _exptl_crystal.colour_lustre ? _exptl_crystal.colour_modifier ? _exptl_crystal.colour_primary ? _exptl_crystal.density_meas ? _exptl_crystal.density_meas_esd ? _exptl_crystal.density_meas_gt ? _exptl_crystal.density_meas_lt ? _exptl_crystal.density_meas_temp ? _exptl_crystal.density_meas_temp_esd ? _exptl_crystal.density_meas_temp_gt ? _exptl_crystal.density_meas_temp_lt ? _exptl_crystal.pdbx_crystal_image_url ? _exptl_crystal.pdbx_crystal_image_format ? _exptl_crystal.pdbx_mosaicity ? _exptl_crystal.pdbx_mosaicity_esd ? # _exptl_crystal_grow.apparatus ? _exptl_crystal_grow.atmosphere ? _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.details ? _exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' _exptl_crystal_grow.method_ref ? _exptl_crystal_grow.pH 6.5 _exptl_crystal_grow.pressure ? _exptl_crystal_grow.pressure_esd ? _exptl_crystal_grow.seeding ? _exptl_crystal_grow.seeding_ref ? _exptl_crystal_grow.temp 295 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.temp_esd ? _exptl_crystal_grow.time ? _exptl_crystal_grow.pdbx_details '1.6 M sodium citrate pH 6.5' _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.ambient_environment ? _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.ambient_temp_esd ? _diffrn.crystal_id 1 _diffrn.crystal_support ? _diffrn.crystal_treatment ? _diffrn.details ? _diffrn.id 1 _diffrn.ambient_pressure ? _diffrn.ambient_pressure_esd ? _diffrn.ambient_pressure_gt ? _diffrn.ambient_pressure_lt ? _diffrn.ambient_temp_gt ? _diffrn.ambient_temp_lt ? # _diffrn_detector.details ? _diffrn_detector.detector PIXEL _diffrn_detector.diffrn_id 1 _diffrn_detector.type 'PSI PILATUS 6M' _diffrn_detector.area_resol_mean ? _diffrn_detector.dtime ? _diffrn_detector.pdbx_frames_total ? _diffrn_detector.pdbx_collection_time_total ? _diffrn_detector.pdbx_collection_date 1970-01-31 # _diffrn_radiation.collimation ? _diffrn_radiation.diffrn_id 1 _diffrn_radiation.filter_edge ? _diffrn_radiation.inhomogeneity ? _diffrn_radiation.monochromator ? _diffrn_radiation.polarisn_norm ? _diffrn_radiation.polarisn_ratio ? _diffrn_radiation.probe ? _diffrn_radiation.type ? _diffrn_radiation.xray_symbol ? _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_wavelength_list ? _diffrn_radiation.pdbx_wavelength ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_analyzer ? _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.current ? _diffrn_source.details ? _diffrn_source.diffrn_id 1 _diffrn_source.power ? _diffrn_source.size ? _diffrn_source.source SYNCHROTRON _diffrn_source.target ? _diffrn_source.type 'SLS BEAMLINE X10SA' _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 1 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline X10SA _diffrn_source.pdbx_synchrotron_site SLS # _reflns.B_iso_Wilson_estimate ? _reflns.entry_id 5EZI _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 1.61 _reflns.d_resolution_low 50.9 _reflns.details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.number_all ? _reflns.number_obs 96028 _reflns.observed_criterion ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.observed_criterion_I_max ? _reflns.observed_criterion_I_min ? _reflns.observed_criterion_sigma_F ? _reflns.observed_criterion_sigma_I ? _reflns.percent_possible_obs 100 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 13.8 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_av_sigmaI ? _reflns.pdbx_netI_over_sigmaI 8.54 _reflns.pdbx_res_netI_over_av_sigmaI_2 ? _reflns.pdbx_res_netI_over_sigmaI_2 ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_d_res_high_opt ? _reflns.pdbx_d_res_low_opt ? _reflns.pdbx_d_res_opt_method ? _reflns.phase_calculation_details ? _reflns.pdbx_Rrim_I_all ? _reflns.pdbx_Rpim_I_all ? _reflns.pdbx_d_opt ? _reflns.pdbx_number_measured_all ? _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.pdbx_CC_half ? _reflns.pdbx_R_split ? # _reflns_shell.d_res_high 1.61 _reflns_shell.d_res_low 1.67 _reflns_shell.meanI_over_sigI_all ? _reflns_shell.meanI_over_sigI_obs 0.84 _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_possible ? _reflns_shell.number_unique_all ? _reflns_shell.number_unique_obs ? _reflns_shell.percent_possible_all 100 _reflns_shell.percent_possible_obs ? _reflns_shell.Rmerge_F_all ? _reflns_shell.Rmerge_F_obs ? _reflns_shell.Rmerge_I_all ? _reflns_shell.Rmerge_I_obs ? _reflns_shell.meanI_over_sigI_gt ? _reflns_shell.meanI_over_uI_all ? _reflns_shell.meanI_over_uI_gt ? _reflns_shell.number_measured_gt ? _reflns_shell.number_unique_gt ? _reflns_shell.percent_possible_gt ? _reflns_shell.Rmerge_F_gt ? _reflns_shell.Rmerge_I_gt ? _reflns_shell.pdbx_redundancy 16.3 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_netI_over_sigmaI_all ? _reflns_shell.pdbx_netI_over_sigmaI_obs ? _reflns_shell.pdbx_Rrim_I_all ? _reflns_shell.pdbx_Rpim_I_all ? _reflns_shell.pdbx_rejects ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_CC_half ? _reflns_shell.pdbx_R_split ? # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 5EZI _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 95862 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 1.33 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 56.154 _refine.ls_d_res_high 1.610 _refine.ls_percent_reflns_obs 99.80 _refine.ls_R_factor_obs 0.1961 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.1949 _refine.ls_R_factor_R_free 0.2209 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.01 _refine.ls_number_reflns_R_free 4802 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _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 'FLAT BULK SOLVENT MODEL' _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.11 _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii 0.90 _refine.pdbx_ls_cross_valid_method 'FREE R-VALUE' _refine.details ? _refine.pdbx_starting_model 'homology model' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values ML _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML 0.28 _refine.pdbx_overall_phase_error 30.01 _refine.overall_SU_B ? _refine.overall_SU_R_Cruickshank_DPI ? _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 3329 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 111 _refine_hist.number_atoms_solvent 444 _refine_hist.number_atoms_total 3884 _refine_hist.d_res_high 1.610 _refine_hist.d_res_low 56.154 # 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 f_bond_d 0.006 ? ? 3588 'X-RAY DIFFRACTION' ? f_angle_d 0.887 ? ? 4924 'X-RAY DIFFRACTION' ? f_dihedral_angle_d 15.286 ? ? 2176 'X-RAY DIFFRACTION' ? f_chiral_restr 0.054 ? ? 578 'X-RAY DIFFRACTION' ? f_plane_restr 0.005 ? ? 610 'X-RAY DIFFRACTION' ? # loop_ _refine_ls_shell.pdbx_refine_id _refine_ls_shell.pdbx_total_number_of_bins_used _refine_ls_shell.d_res_high _refine_ls_shell.d_res_low _refine_ls_shell.number_reflns_R_work _refine_ls_shell.R_factor_R_work _refine_ls_shell.percent_reflns_obs _refine_ls_shell.R_factor_R_free _refine_ls_shell.R_factor_R_free_error _refine_ls_shell.percent_reflns_R_free _refine_ls_shell.number_reflns_R_free _refine_ls_shell.number_reflns_all _refine_ls_shell.R_factor_all _refine_ls_shell.R_factor_obs _refine_ls_shell.number_reflns_obs 'X-RAY DIFFRACTION' . 1.6100 1.6283 2943 0.4660 100.00 0.4685 . . 179 . . . . 'X-RAY DIFFRACTION' . 1.6283 1.6475 2967 0.4410 100.00 0.4154 . . 171 . . . . 'X-RAY DIFFRACTION' . 1.6475 1.6675 2957 0.4322 100.00 0.4553 . . 153 . . . . 'X-RAY DIFFRACTION' . 1.6675 1.6887 3001 0.4184 100.00 0.4526 . . 153 . . . . 'X-RAY DIFFRACTION' . 1.6887 1.7109 2968 0.4035 100.00 0.4174 . . 159 . . . . 'X-RAY DIFFRACTION' . 1.7109 1.7343 2982 0.3870 100.00 0.4474 . . 143 . . . . 'X-RAY DIFFRACTION' . 1.7343 1.7591 2968 0.3697 100.00 0.3958 . . 172 . . . . 'X-RAY DIFFRACTION' . 1.7591 1.7854 2984 0.3511 100.00 0.3970 . . 142 . . . . 'X-RAY DIFFRACTION' . 1.7854 1.8133 2982 0.3302 99.00 0.3691 . . 159 . . . . 'X-RAY DIFFRACTION' . 1.8133 1.8430 2983 0.3091 100.00 0.3590 . . 146 . . . . 'X-RAY DIFFRACTION' . 1.8430 1.8748 2998 0.2846 100.00 0.3229 . . 155 . . . . 'X-RAY DIFFRACTION' . 1.8748 1.9089 2967 0.2705 100.00 0.2500 . . 172 . . . . 'X-RAY DIFFRACTION' . 1.9089 1.9456 3008 0.2685 100.00 0.2889 . . 141 . . . . 'X-RAY DIFFRACTION' . 1.9456 1.9853 3033 0.2463 100.00 0.2674 . . 152 . . . . 'X-RAY DIFFRACTION' . 1.9853 2.0285 2978 0.2270 100.00 0.2467 . . 166 . . . . 'X-RAY DIFFRACTION' . 2.0285 2.0756 3007 0.2158 100.00 0.2799 . . 160 . . . . 'X-RAY DIFFRACTION' . 2.0756 2.1276 3020 0.2057 100.00 0.2193 . . 151 . . . . 'X-RAY DIFFRACTION' . 2.1276 2.1851 3015 0.2001 100.00 0.2327 . . 158 . . . . 'X-RAY DIFFRACTION' . 2.1851 2.2494 3006 0.2041 100.00 0.2277 . . 164 . . . . 'X-RAY DIFFRACTION' . 2.2494 2.3220 3033 0.1970 100.00 0.2381 . . 143 . . . . 'X-RAY DIFFRACTION' . 2.3220 2.4050 3046 0.2017 100.00 0.2316 . . 154 . . . . 'X-RAY DIFFRACTION' . 2.4050 2.5013 3030 0.2058 100.00 0.2269 . . 178 . . . . 'X-RAY DIFFRACTION' . 2.5013 2.6151 3043 0.2119 100.00 0.2557 . . 165 . . . . 'X-RAY DIFFRACTION' . 2.6151 2.7530 3068 0.2095 100.00 0.2723 . . 175 . . . . 'X-RAY DIFFRACTION' . 2.7530 2.9255 3031 0.2044 100.00 0.2326 . . 188 . . . . 'X-RAY DIFFRACTION' . 2.9255 3.1513 3105 0.1943 100.00 0.2148 . . 142 . . . . 'X-RAY DIFFRACTION' . 3.1513 3.4684 3141 0.1672 100.00 0.2017 . . 158 . . . . 'X-RAY DIFFRACTION' . 3.4684 3.9702 3128 0.1360 100.00 0.1522 . . 172 . . . . 'X-RAY DIFFRACTION' . 3.9702 5.0015 3204 0.1171 100.00 0.1380 . . 156 . . . . 'X-RAY DIFFRACTION' . 5.0015 56.1883 3464 0.1609 100.00 0.1681 . . 175 . . . . # _struct.entry_id 5EZI _struct.title 'Crystal Structure of Fab of parasite invasion inhibitory antibody c1 - hexagonal form' _struct.pdbx_descriptor 'Fab c12' _struct.pdbx_model_details ? _struct.pdbx_formula_weight ? _struct.pdbx_formula_weight_method ? _struct.pdbx_model_type_details ? _struct.pdbx_CASP_flag ? # _struct_keywords.entry_id 5EZI _struct_keywords.text 'MALARIA INHIBITORY ANTIBODY, FAB, immune system, cyrpa' _struct_keywords.pdbx_keywords 'IMMUNE SYSTEM' # 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 3 ? E N N 4 ? F N N 5 ? G N N 3 ? H N N 6 ? I N N 5 ? J N N 3 ? K N N 7 ? L N N 8 ? M N N 9 ? N N N 9 ? # 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 AA1 ASP A 28 ? TYR A 32 ? ASP H 42 TYR H 46 5 ? 5 HELX_P HELX_P2 AA2 PRO A 62 ? LYS A 65 ? PRO H 76 LYS H 79 5 ? 4 HELX_P HELX_P3 AA3 SER A 87 ? THR A 91 ? SER H 101 THR H 105 5 ? 5 HELX_P HELX_P4 AA4 SER A 162 ? SER A 164 ? SER H 176 SER H 178 5 ? 3 HELX_P HELX_P5 AA5 PRO A 206 ? SER A 209 ? PRO H 220 SER H 223 5 ? 4 HELX_P HELX_P6 AA6 GLN B 79 ? LEU B 83 ? GLN L 103 LEU L 107 5 ? 5 HELX_P HELX_P7 AA7 SER B 121 ? SER B 127 ? SER L 145 SER L 151 1 ? 7 HELX_P HELX_P8 AA8 LYS B 183 ? ARG B 188 ? LYS L 207 ARG L 212 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 22 SG ? ? ? 1_555 A CYS 96 SG A ? H CYS 36 H CYS 110 1_555 ? ? ? ? ? ? ? 2.049 ? disulf2 disulf ? ? A CYS 22 SG ? ? ? 1_555 A CYS 96 SG B ? H CYS 36 H CYS 110 1_555 ? ? ? ? ? ? ? 2.028 ? disulf3 disulf ? ? A CYS 134 SG ? ? ? 1_555 B CYS 214 SG ? ? H CYS 148 L CYS 238 1_555 ? ? ? ? ? ? ? 2.037 ? disulf4 disulf ? ? A CYS 146 SG ? ? ? 1_555 A CYS 201 SG A ? H CYS 160 H CYS 215 1_555 ? ? ? ? ? ? ? 2.028 ? disulf5 disulf ? ? A CYS 146 SG ? ? ? 1_555 A CYS 201 SG B ? H CYS 160 H CYS 215 1_555 ? ? ? ? ? ? ? 2.063 ? disulf6 disulf ? ? B CYS 23 SG A ? ? 1_555 B CYS 88 SG ? ? L CYS 47 L CYS 112 1_555 ? ? ? ? ? ? ? 2.070 ? disulf7 disulf ? ? B CYS 23 SG B ? ? 1_555 B CYS 88 SG ? ? L CYS 47 L CYS 112 1_555 ? ? ? ? ? ? ? 2.030 ? disulf8 disulf ? ? B CYS 134 SG A ? ? 1_555 B CYS 194 SG A ? L CYS 158 L CYS 218 1_555 ? ? ? ? ? ? ? 2.045 ? disulf9 disulf ? ? B CYS 134 SG B ? ? 1_555 B CYS 194 SG B ? L CYS 158 L CYS 218 1_555 ? ? ? ? ? ? ? 2.033 ? covale1 covale one ? A ASN 19 ND2 ? ? ? 1_555 C NAG . C1 ? ? H ASN 33 H NAG 501 1_555 ? ? ? ? ? ? ? 1.443 ? covale2 covale both ? C NAG . O4 ? ? ? 1_555 D NAG . C1 ? ? H NAG 501 H NAG 502 1_555 ? ? ? ? ? ? ? 1.436 ? covale3 covale one ? C NAG . O6 ? ? ? 1_555 K FUC . C1 ? ? H NAG 501 H FUC 509 1_555 ? ? ? ? ? ? ? 1.434 ? covale4 covale both ? D NAG . O4 ? ? ? 1_555 E BMA . C1 ? ? H NAG 502 H BMA 503 1_555 ? ? ? ? ? ? ? 1.430 ? covale5 covale one ? E BMA . O3 ? ? ? 1_555 F MAN . C1 ? ? H BMA 503 H MAN 504 1_555 ? ? ? ? ? ? ? 1.439 ? covale6 covale one ? E BMA . O6 ? ? ? 1_555 I MAN . C1 ? ? H BMA 503 H MAN 507 1_555 ? ? ? ? ? ? ? 1.433 ? covale7 covale one ? F MAN . O2 ? ? ? 1_555 G NAG . C1 ? ? H MAN 504 H NAG 505 1_555 ? ? ? ? ? ? ? 1.433 ? covale8 covale both ? G NAG . O4 ? ? ? 1_555 H GAL . C1 ? ? H NAG 505 H GAL 506 1_555 ? ? ? ? ? ? ? 1.439 ? covale9 covale one ? I MAN . O2 ? ? ? 1_555 J NAG . C1 ? ? H MAN 507 H NAG 508 1_555 ? ? ? ? ? ? ? 1.439 ? # 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 PHE 152 A . ? PHE 166 H PRO 153 A ? PRO 167 H 1 -3.14 2 GLU 154 A . ? GLU 168 H PRO 155 A ? PRO 169 H 1 4.05 3 TRP 194 A . ? TRP 208 H PRO 195 A ? PRO 209 H 1 8.06 4 THR 7 B . ? THR 31 L PRO 8 B ? PRO 32 L 1 -7.74 5 SER 94 B . ? SER 118 L PRO 95 B ? PRO 119 L 1 0.33 6 TYR 140 B . ? TYR 164 L PRO 141 B ? PRO 165 L 1 4.09 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA1 ? 4 ? AA2 ? 6 ? AA3 ? 4 ? AA4 ? 4 ? AA5 ? 4 ? AA6 ? 3 ? AA7 ? 4 ? AA8 ? 6 ? AA9 ? 4 ? AB1 ? 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 AA1 1 2 ? anti-parallel AA1 2 3 ? anti-parallel AA1 3 4 ? anti-parallel AA2 1 2 ? parallel AA2 2 3 ? anti-parallel AA2 3 4 ? anti-parallel AA2 4 5 ? anti-parallel AA2 5 6 ? anti-parallel AA3 1 2 ? parallel AA3 2 3 ? anti-parallel AA3 3 4 ? anti-parallel AA4 1 2 ? anti-parallel AA4 2 3 ? anti-parallel AA4 3 4 ? anti-parallel AA5 1 2 ? anti-parallel AA5 2 3 ? anti-parallel AA5 3 4 ? anti-parallel AA6 1 2 ? anti-parallel AA6 2 3 ? anti-parallel AA7 1 2 ? anti-parallel AA7 2 3 ? anti-parallel AA7 3 4 ? anti-parallel AA8 1 2 ? parallel AA8 2 3 ? anti-parallel AA8 3 4 ? anti-parallel AA8 4 5 ? anti-parallel AA8 5 6 ? anti-parallel AA9 1 2 ? anti-parallel AA9 2 3 ? anti-parallel AA9 3 4 ? anti-parallel AB1 1 2 ? anti-parallel AB1 2 3 ? anti-parallel AB1 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 AA1 1 ASN A 3 ? SER A 7 ? ASN H 17 SER H 21 AA1 2 LEU A 18 ? SER A 25 ? LEU H 32 SER H 39 AA1 3 THR A 78 ? MET A 83 ? THR H 92 MET H 97 AA1 4 PHE A 68 ? ASP A 73 ? PHE H 82 ASP H 87 AA2 1 GLY A 10 ? VAL A 12 ? GLY H 24 VAL H 26 AA2 2 THR A 113 ? VAL A 117 ? THR H 127 VAL H 131 AA2 3 ALA A 92 ? TYR A 99 ? ALA H 106 TYR H 113 AA2 4 MET A 34 ? GLN A 39 ? MET H 48 GLN H 53 AA2 5 GLN A 45 ? ILE A 51 ? GLN H 59 ILE H 65 AA2 6 ILE A 58 ? TYR A 60 ? ILE H 72 TYR H 74 AA3 1 GLY A 10 ? VAL A 12 ? GLY H 24 VAL H 26 AA3 2 THR A 113 ? VAL A 117 ? THR H 127 VAL H 131 AA3 3 ALA A 92 ? TYR A 99 ? ALA H 106 TYR H 113 AA3 4 MET A 106 ? TRP A 109 ? MET H 120 TRP H 123 AA4 1 SER A 126 ? LEU A 130 ? SER H 140 LEU H 144 AA4 2 SER A 141 ? TYR A 151 ? SER H 155 TYR H 165 AA4 3 LEU A 180 ? THR A 190 ? LEU H 194 THR H 204 AA4 4 VAL A 169 ? THR A 171 ? VAL H 183 THR H 185 AA5 1 SER A 126 ? LEU A 130 ? SER H 140 LEU H 144 AA5 2 SER A 141 ? TYR A 151 ? SER H 155 TYR H 165 AA5 3 LEU A 180 ? THR A 190 ? LEU H 194 THR H 204 AA5 4 VAL A 175 ? GLN A 177 ? VAL H 189 GLN H 191 AA6 1 THR A 157 ? TRP A 160 ? THR H 171 TRP H 174 AA6 2 THR A 200 ? HIS A 205 ? THR H 214 HIS H 219 AA6 3 THR A 210 ? LYS A 215 ? THR H 224 LYS H 229 AA7 1 MET B 4 ? THR B 7 ? MET L 28 THR L 31 AA7 2 ILE B 19 ? ALA B 25 ? ILE L 43 ALA L 49 AA7 3 ASP B 70 ? ILE B 75 ? ASP L 94 ILE L 99 AA7 4 PHE B 62 ? SER B 67 ? PHE L 86 SER L 91 AA8 1 PHE B 10 ? SER B 14 ? PHE L 34 SER L 38 AA8 2 THR B 102 ? LYS B 107 ? THR L 126 LYS L 131 AA8 3 ALA B 84 ? GLN B 90 ? ALA L 108 GLN L 114 AA8 4 VAL B 33 ? GLN B 38 ? VAL L 57 GLN L 62 AA8 5 LYS B 45 ? TYR B 49 ? LYS L 69 TYR L 73 AA8 6 ASN B 53 ? ARG B 54 ? ASN L 77 ARG L 78 AA9 1 THR B 114 ? PHE B 118 ? THR L 138 PHE L 142 AA9 2 GLY B 129 ? PHE B 139 ? GLY L 153 PHE L 163 AA9 3 TYR B 173 ? THR B 182 ? TYR L 197 THR L 206 AA9 4 VAL B 159 ? TRP B 163 ? VAL L 183 TRP L 187 AB1 1 SER B 153 ? ARG B 155 ? SER L 177 ARG L 179 AB1 2 ASN B 145 ? ILE B 150 ? ASN L 169 ILE L 174 AB1 3 SER B 191 ? THR B 197 ? SER L 215 THR L 221 AB1 4 ILE B 205 ? ASN B 210 ? ILE L 229 ASN L 234 # 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 AA1 1 2 N LEU A 5 ? N LEU H 19 O ALA A 23 ? O ALA H 37 AA1 2 3 N LEU A 18 ? N LEU H 32 O MET A 83 ? O MET H 97 AA1 3 4 O GLN A 82 ? O GLN H 96 N ILE A 69 ? N ILE H 83 AA2 1 2 N VAL A 12 ? N VAL H 26 O THR A 116 ? O THR H 130 AA2 2 3 O THR A 113 ? O THR H 127 N TYR A 94 ? N TYR H 108 AA2 3 4 O TYR A 95 ? O TYR H 109 N ALA A 37 ? N ALA H 51 AA2 4 5 N TRP A 36 ? N TRP H 50 O ILE A 48 ? O ILE H 62 AA2 5 6 N GLU A 50 ? N GLU H 64 O LYS A 59 ? O LYS H 73 AA3 1 2 N VAL A 12 ? N VAL H 26 O THR A 116 ? O THR H 130 AA3 2 3 O THR A 113 ? O THR H 127 N TYR A 94 ? N TYR H 108 AA3 3 4 N ARG A 98 ? N ARG H 112 O TYR A 108 ? O TYR H 122 AA4 1 2 N TYR A 128 ? N TYR H 142 O LEU A 147 ? O LEU H 161 AA4 2 3 N VAL A 148 ? N VAL H 162 O LEU A 183 ? O LEU H 197 AA4 3 4 O SER A 186 ? O SER H 200 N HIS A 170 ? N HIS H 184 AA5 1 2 N TYR A 128 ? N TYR H 142 O LEU A 147 ? O LEU H 161 AA5 2 3 N VAL A 148 ? N VAL H 162 O LEU A 183 ? O LEU H 197 AA5 3 4 O LEU A 180 ? O LEU H 194 N GLN A 177 ? N GLN H 191 AA6 1 2 N THR A 159 ? N THR H 173 O ASN A 202 ? O ASN H 216 AA6 2 3 N VAL A 203 ? N VAL H 217 O VAL A 212 ? O VAL H 226 AA7 1 2 N THR B 7 ? N THR L 31 O THR B 22 ? O THR L 46 AA7 2 3 N ILE B 21 ? N ILE L 45 O PHE B 73 ? O PHE L 97 AA7 3 4 O THR B 72 ? O THR L 96 N SER B 65 ? N SER L 89 AA8 1 2 N LEU B 11 ? N LEU L 35 O GLU B 105 ? O GLU L 129 AA8 2 3 O LEU B 104 ? O LEU L 128 N ALA B 84 ? N ALA L 108 AA8 3 4 O PHE B 87 ? O PHE L 111 N TYR B 36 ? N TYR L 60 AA8 4 5 N TRP B 35 ? N TRP L 59 O LEU B 47 ? O LEU L 71 AA8 5 6 N TYR B 49 ? N TYR L 73 O ASN B 53 ? O ASN L 77 AA9 1 2 N PHE B 118 ? N PHE L 142 O VAL B 133 ? O VAL L 157 AA9 2 3 N ALA B 130 ? N ALA L 154 O LEU B 181 ? O LEU L 205 AA9 3 4 O SER B 176 ? O SER L 200 N SER B 162 ? N SER L 186 AB1 1 2 O SER B 153 ? O SER L 177 N ILE B 150 ? N ILE L 174 AB1 2 3 N ASN B 145 ? N ASN L 169 O THR B 197 ? O THR L 221 AB1 3 4 N ALA B 196 ? N ALA L 220 O ILE B 205 ? O ILE L 229 # 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 H CL 510 ? 4 'binding site for residue CL H 510' AC2 Software H ASN 33 ? 29 'binding site for Poly-Saccharide residues NAG H 501 through FUC H 509 bound to ASN H 33' # 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 4 TRP A 47 ? TRP H 61 . ? 1_555 ? 2 AC1 4 HOH M . ? HOH H 620 . ? 1_555 ? 3 AC1 4 THR B 97 ? THR L 121 . ? 1_555 ? 4 AC1 4 PHE B 98 ? PHE L 122 . ? 1_555 ? 5 AC2 29 GLY A 9 ? GLY H 23 . ? 8_555 ? 6 AC2 29 GLY A 10 ? GLY H 24 . ? 8_555 ? 7 AC2 29 GLN A 13 ? GLN H 27 . ? 8_555 ? 8 AC2 29 ASN A 19 ? ASN H 33 . ? 1_555 ? 9 AC2 29 TYR A 80 ? TYR H 94 . ? 1_555 ? 10 AC2 29 GLN A 82 ? GLN H 96 . ? 1_555 ? 11 AC2 29 SER A 119 ? SER H 133 . ? 8_555 ? 12 AC2 29 LYS A 121 ? LYS H 135 . ? 8_555 ? 13 AC2 29 THR A 122 ? THR H 136 . ? 8_555 ? 14 AC2 29 ALA A 207 ? ALA H 221 . ? 8_555 ? 15 AC2 29 SER A 208 ? SER H 222 . ? 8_555 ? 16 AC2 29 HOH M . ? HOH H 601 . ? 1_555 ? 17 AC2 29 HOH M . ? HOH H 616 . ? 1_555 ? 18 AC2 29 HOH M . ? HOH H 626 . ? 1_555 ? 19 AC2 29 HOH M . ? HOH H 643 . ? 1_555 ? 20 AC2 29 HOH M . ? HOH H 649 . ? 1_555 ? 21 AC2 29 HOH M . ? HOH H 653 . ? 1_555 ? 22 AC2 29 HOH M . ? HOH H 660 . ? 1_555 ? 23 AC2 29 HOH M . ? HOH H 665 . ? 1_555 ? 24 AC2 29 HOH M . ? HOH H 673 . ? 1_555 ? 25 AC2 29 HOH M . ? HOH H 674 . ? 1_555 ? 26 AC2 29 HOH M . ? HOH H 676 . ? 1_555 ? 27 AC2 29 HOH M . ? HOH H 682 . ? 1_555 ? 28 AC2 29 HOH M . ? HOH H 719 . ? 1_555 ? 29 AC2 29 HOH M . ? HOH H 728 . ? 1_555 ? 30 AC2 29 HOH M . ? HOH H 730 . ? 1_555 ? 31 AC2 29 HOH M . ? HOH H 755 . ? 1_555 ? 32 AC2 29 HOH M . ? HOH H 764 . ? 1_555 ? 33 AC2 29 HOH M . ? HOH H 776 . ? 1_555 ? # _atom_sites.entry_id 5EZI _atom_sites.fract_transf_matrix[1][1] 0.012092 _atom_sites.fract_transf_matrix[1][2] 0.006981 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.013963 _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] 0.002763 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C CL N O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . ASN A 1 1 ? 71.929 -3.126 -2.801 1.00 73.27 ? 15 ASN H N 1 ATOM 2 C CA . ASN A 1 1 ? 71.537 -3.679 -1.502 1.00 59.97 ? 15 ASN H CA 1 ATOM 3 C C . ASN A 1 1 ? 70.048 -4.015 -1.494 1.00 40.14 ? 15 ASN H C 1 ATOM 4 O O . ASN A 1 1 ? 69.211 -3.133 -1.311 1.00 43.60 ? 15 ASN H O 1 ATOM 5 C CB . ASN A 1 1 ? 71.869 -2.698 -0.384 1.00 66.11 ? 15 ASN H CB 1 ATOM 6 C CG . ASN A 1 1 ? 72.046 -3.385 0.947 1.00 73.43 ? 15 ASN H CG 1 ATOM 7 O OD1 . ASN A 1 1 ? 71.191 -4.161 1.375 1.00 73.31 ? 15 ASN H OD1 1 ATOM 8 N ND2 . ASN A 1 1 ? 73.173 -3.125 1.602 1.00 77.29 ? 15 ASN H ND2 1 ATOM 9 N N . VAL A 1 2 ? 69.732 -5.299 -1.670 1.00 35.74 ? 16 VAL H N 1 ATOM 10 C CA . VAL A 1 2 ? 68.388 -5.701 -2.070 1.00 36.22 ? 16 VAL H CA 1 ATOM 11 C C . VAL A 1 2 ? 67.414 -5.545 -0.912 1.00 39.43 ? 16 VAL H C 1 ATOM 12 O O . VAL A 1 2 ? 67.686 -5.973 0.219 1.00 39.38 ? 16 VAL H O 1 ATOM 13 C CB . VAL A 1 2 ? 68.399 -7.142 -2.600 1.00 36.92 ? 16 VAL H CB 1 ATOM 14 C CG1 . VAL A 1 2 ? 66.978 -7.613 -2.891 1.00 34.81 ? 16 VAL H CG1 1 ATOM 15 C CG2 . VAL A 1 2 ? 69.265 -7.226 -3.844 1.00 41.41 ? 16 VAL H CG2 1 ATOM 16 N N . ASN A 1 3 ? 66.261 -4.936 -1.195 1.00 33.53 ? 17 ASN H N 1 ATOM 17 C CA . ASN A 1 3 ? 65.227 -4.732 -0.197 1.00 31.90 ? 17 ASN H CA 1 ATOM 18 C C . ASN A 1 3 ? 63.857 -4.927 -0.833 1.00 35.20 ? 17 ASN H C 1 ATOM 19 O O . ASN A 1 3 ? 63.609 -4.478 -1.958 1.00 31.52 ? 17 ASN H O 1 ATOM 20 C CB . ASN A 1 3 ? 65.336 -3.339 0.434 1.00 34.75 ? 17 ASN H CB 1 ATOM 21 C CG . ASN A 1 3 ? 65.006 -3.348 1.915 1.00 61.22 ? 17 ASN H CG 1 ATOM 22 O OD1 . ASN A 1 3 ? 63.885 -3.034 2.314 1.00 73.76 ? 17 ASN H OD1 1 ATOM 23 N ND2 . ASN A 1 3 ? 65.981 -3.726 2.736 1.00 54.82 ? 17 ASN H ND2 1 ATOM 24 N N . LEU A 1 4 ? 62.990 -5.635 -0.121 1.00 28.63 ? 18 LEU H N 1 ATOM 25 C CA . LEU A 1 4 ? 61.572 -5.739 -0.435 1.00 27.98 ? 18 LEU H CA 1 ATOM 26 C C . LEU A 1 4 ? 60.802 -5.382 0.822 1.00 32.34 ? 18 LEU H C 1 ATOM 27 O O . LEU A 1 4 ? 61.216 -5.750 1.924 1.00 30.91 ? 18 LEU H O 1 ATOM 28 C CB . LEU A 1 4 ? 61.182 -7.151 -0.879 1.00 25.39 ? 18 LEU H CB 1 ATOM 29 C CG . LEU A 1 4 ? 61.859 -7.645 -2.160 1.00 27.41 ? 18 LEU H CG 1 ATOM 30 C CD1 . LEU A 1 4 ? 61.533 -9.116 -2.372 1.00 27.13 ? 18 LEU H CD1 1 ATOM 31 C CD2 . LEU A 1 4 ? 61.392 -6.808 -3.340 1.00 30.35 ? 18 LEU H CD2 1 ATOM 32 N N . LEU A 1 5 ? 59.683 -4.686 0.667 1.00 26.23 ? 19 LEU H N 1 ATOM 33 C CA . LEU A 1 5 ? 58.890 -4.320 1.845 1.00 26.66 ? 19 LEU H CA 1 ATOM 34 C C . LEU A 1 5 ? 57.415 -4.356 1.469 1.00 29.90 ? 19 LEU H C 1 ATOM 35 O O . LEU A 1 5 ? 56.954 -3.511 0.697 1.00 31.45 ? 19 LEU H O 1 ATOM 36 C CB . LEU A 1 5 ? 59.312 -2.944 2.368 1.00 28.36 ? 19 LEU H CB 1 ATOM 37 C CG . LEU A 1 5 ? 58.943 -2.588 3.817 1.00 29.50 ? 19 LEU H CG 1 ATOM 38 C CD1 . LEU A 1 5 ? 59.798 -1.434 4.308 1.00 31.50 ? 19 LEU H CD1 1 ATOM 39 C CD2 . LEU A 1 5 ? 57.481 -2.234 3.920 1.00 32.60 ? 19 LEU H CD2 1 ATOM 40 N N . GLU A 1 6 ? 56.687 -5.331 2.010 1.00 27.52 ? 20 GLU H N 1 ATOM 41 C CA . GLU A 1 6 ? 55.255 -5.458 1.766 1.00 27.82 ? 20 GLU H CA 1 ATOM 42 C C . GLU A 1 6 ? 54.446 -4.519 2.655 1.00 32.85 ? 20 GLU H C 1 ATOM 43 O O . GLU A 1 6 ? 54.796 -4.261 3.812 1.00 30.37 ? 20 GLU H O 1 ATOM 44 C CB . GLU A 1 6 ? 54.784 -6.893 2.016 1.00 28.24 ? 20 GLU H CB 1 ATOM 45 C CG . GLU A 1 6 ? 55.557 -7.967 1.258 1.00 31.61 ? 20 GLU H CG 1 ATOM 46 C CD . GLU A 1 6 ? 56.787 -8.453 2.010 1.00 32.58 ? 20 GLU H CD 1 ATOM 47 O OE1 . GLU A 1 6 ? 57.244 -9.574 1.715 1.00 28.46 ? 20 GLU H OE1 1 ATOM 48 O OE2 . GLU A 1 6 ? 57.286 -7.724 2.905 1.00 32.02 ? 20 GLU H OE2 1 ATOM 49 N N . SER A 1 7 ? 53.334 -4.026 2.110 1.00 26.50 ? 21 SER H N 1 ATOM 50 C CA . SER A 1 7 ? 52.405 -3.225 2.890 1.00 29.10 ? 21 SER H CA 1 ATOM 51 C C . SER A 1 7 ? 50.988 -3.484 2.402 1.00 30.14 ? 21 SER H C 1 ATOM 52 O O . SER A 1 7 ? 50.763 -4.186 1.411 1.00 30.77 ? 21 SER H O 1 ATOM 53 C CB . SER A 1 7 ? 52.736 -1.733 2.813 1.00 31.34 ? 21 SER H CB 1 ATOM 54 O OG . SER A 1 7 ? 52.107 -1.036 3.877 1.00 39.50 ? 21 SER H OG 1 ATOM 55 N N . GLY A 1 8 ? 50.028 -2.910 3.123 1.00 31.86 ? 22 GLY H N 1 ATOM 56 C CA . GLY A 1 8 ? 48.630 -3.004 2.774 1.00 37.78 ? 22 GLY H CA 1 ATOM 57 C C . GLY A 1 8 ? 47.837 -4.034 3.549 1.00 33.23 ? 22 GLY H C 1 ATOM 58 O O . GLY A 1 8 ? 46.608 -4.055 3.425 1.00 37.12 ? 22 GLY H O 1 ATOM 59 N N . GLY A 1 9 ? 48.490 -4.873 4.350 1.00 34.98 ? 23 GLY H N 1 ATOM 60 C CA . GLY A 1 9 ? 47.778 -5.891 5.101 1.00 33.50 ? 23 GLY H CA 1 ATOM 61 C C . GLY A 1 9 ? 46.917 -5.321 6.225 1.00 36.56 ? 23 GLY H C 1 ATOM 62 O O . GLY A 1 9 ? 46.924 -4.126 6.528 1.00 42.31 ? 23 GLY H O 1 ATOM 63 N N . GLY A 1 10 ? 46.148 -6.209 6.846 1.00 35.20 ? 24 GLY H N 1 ATOM 64 C CA . GLY A 1 10 ? 45.290 -5.841 7.961 1.00 35.05 ? 24 GLY H CA 1 ATOM 65 C C . GLY A 1 10 ? 44.029 -6.692 7.976 1.00 32.38 ? 24 GLY H C 1 ATOM 66 O O . GLY A 1 10 ? 43.959 -7.728 7.331 1.00 37.76 ? 24 GLY H O 1 ATOM 67 N N . LEU A 1 11 ? 43.043 -6.233 8.747 1.00 36.44 ? 25 LEU H N 1 ATOM 68 C CA . LEU A 1 11 ? 41.769 -6.933 8.878 1.00 35.19 ? 25 LEU H CA 1 ATOM 69 C C . LEU A 1 11 ? 40.885 -6.680 7.659 1.00 41.64 ? 25 LEU H C 1 ATOM 70 O O . LEU A 1 11 ? 40.744 -5.539 7.209 1.00 45.24 ? 25 LEU H O 1 ATOM 71 C CB . LEU A 1 11 ? 41.054 -6.472 10.151 1.00 39.57 ? 25 LEU H CB 1 ATOM 72 C CG . LEU A 1 11 ? 39.648 -6.990 10.463 1.00 40.54 ? 25 LEU H CG 1 ATOM 73 C CD1 . LEU A 1 11 ? 39.628 -8.513 10.534 1.00 40.83 ? 25 LEU H CD1 1 ATOM 74 C CD2 . LEU A 1 11 ? 39.126 -6.372 11.751 1.00 44.48 ? 25 LEU H CD2 1 ATOM 75 N N . VAL A 1 12 ? 40.282 -7.741 7.134 1.00 34.21 ? 26 VAL H N 1 ATOM 76 C CA . VAL A 1 12 ? 39.331 -7.639 6.029 1.00 41.32 ? 26 VAL H CA 1 ATOM 77 C C . VAL A 1 12 ? 38.177 -8.594 6.308 1.00 41.32 ? 26 VAL H C 1 ATOM 78 O O . VAL A 1 12 ? 38.387 -9.724 6.760 1.00 42.60 ? 26 VAL H O 1 ATOM 79 C CB . VAL A 1 12 ? 40.000 -7.930 4.664 1.00 38.07 ? 26 VAL H CB 1 ATOM 80 C CG1 . VAL A 1 12 ? 40.717 -9.272 4.668 1.00 34.61 ? 26 VAL H CG1 1 ATOM 81 C CG2 . VAL A 1 12 ? 38.978 -7.871 3.515 1.00 43.23 ? 26 VAL H CG2 1 ATOM 82 N N . GLN A 1 13 ? 36.954 -8.130 6.070 1.00 42.00 ? 27 GLN H N 1 ATOM 83 C CA . GLN A 1 13 ? 35.804 -8.972 6.335 1.00 46.20 ? 27 GLN H CA 1 ATOM 84 C C . GLN A 1 13 ? 35.723 -10.099 5.305 1.00 47.72 ? 27 GLN H C 1 ATOM 85 O O . GLN A 1 13 ? 36.183 -9.949 4.168 1.00 43.34 ? 27 GLN H O 1 ATOM 86 C CB . GLN A 1 13 ? 34.518 -8.151 6.323 1.00 54.92 ? 27 GLN H CB 1 ATOM 87 C CG . GLN A 1 13 ? 34.194 -7.500 4.995 1.00 66.34 ? 27 GLN H CG 1 ATOM 88 C CD . GLN A 1 13 ? 32.778 -6.957 4.953 1.00 81.11 ? 27 GLN H CD 1 ATOM 89 O OE1 . GLN A 1 13 ? 32.000 -7.145 5.889 1.00 84.17 ? 27 GLN H OE1 1 ATOM 90 N NE2 . GLN A 1 13 ? 32.435 -6.283 3.861 1.00 86.77 ? 27 GLN H NE2 1 ATOM 91 N N . PRO A 1 14 ? 35.187 -11.253 5.695 1.00 46.97 ? 28 PRO H N 1 ATOM 92 C CA . PRO A 1 14 ? 35.015 -12.351 4.739 1.00 46.31 ? 28 PRO H CA 1 ATOM 93 C C . PRO A 1 14 ? 34.236 -11.901 3.509 1.00 46.45 ? 28 PRO H C 1 ATOM 94 O O . PRO A 1 14 ? 33.234 -11.191 3.608 1.00 49.24 ? 28 PRO H O 1 ATOM 95 C CB . PRO A 1 14 ? 34.252 -13.411 5.546 1.00 45.50 ? 28 PRO H CB 1 ATOM 96 C CG . PRO A 1 14 ? 33.975 -12.799 6.905 1.00 50.45 ? 28 PRO H CG 1 ATOM 97 C CD . PRO A 1 14 ? 34.917 -11.668 7.081 1.00 51.17 ? 28 PRO H CD 1 ATOM 98 N N . GLY A 1 15 ? 34.721 -12.307 2.338 1.00 45.84 ? 29 GLY H N 1 ATOM 99 C CA . GLY A 1 15 ? 34.141 -11.892 1.082 1.00 43.29 ? 29 GLY H CA 1 ATOM 100 C C . GLY A 1 15 ? 34.619 -10.552 0.569 1.00 40.00 ? 29 GLY H C 1 ATOM 101 O O . GLY A 1 15 ? 34.217 -10.150 -0.528 1.00 45.72 ? 29 GLY H O 1 ATOM 102 N N . GLY A 1 16 ? 35.469 -9.852 1.317 1.00 38.57 ? 30 GLY H N 1 ATOM 103 C CA . GLY A 1 16 ? 35.939 -8.540 0.930 1.00 47.81 ? 30 GLY H CA 1 ATOM 104 C C . GLY A 1 16 ? 37.173 -8.600 0.049 1.00 45.30 ? 30 GLY H C 1 ATOM 105 O O . GLY A 1 16 ? 37.590 -9.656 -0.429 1.00 44.10 ? 30 GLY H O 1 ATOM 106 N N . SER A 1 17 ? 37.765 -7.426 -0.165 1.00 44.16 ? 31 SER H N 1 ATOM 107 C CA . SER A 1 17 ? 38.883 -7.269 -1.083 1.00 44.81 ? 31 SER H CA 1 ATOM 108 C C . SER A 1 17 ? 39.963 -6.410 -0.446 1.00 46.09 ? 31 SER H C 1 ATOM 109 O O . SER A 1 17 ? 39.675 -5.474 0.306 1.00 40.25 ? 31 SER H O 1 ATOM 110 C CB . SER A 1 17 ? 38.434 -6.639 -2.407 1.00 48.57 ? 31 SER H CB 1 ATOM 111 O OG . SER A 1 17 ? 37.406 -7.408 -2.999 1.00 50.35 ? 31 SER H OG 1 ATOM 112 N N . LEU A 1 18 ? 41.214 -6.734 -0.769 1.00 39.64 ? 32 LEU H N 1 ATOM 113 C CA . LEU A 1 18 ? 42.373 -6.056 -0.208 1.00 40.02 ? 32 LEU H CA 1 ATOM 114 C C . LEU A 1 18 ? 43.503 -6.121 -1.227 1.00 36.65 ? 32 LEU H C 1 ATOM 115 O O . LEU A 1 18 ? 43.735 -7.171 -1.829 1.00 38.51 ? 32 LEU H O 1 ATOM 116 C CB . LEU A 1 18 ? 42.793 -6.713 1.115 1.00 39.58 ? 32 LEU H CB 1 ATOM 117 C CG . LEU A 1 18 ? 43.829 -6.041 2.011 1.00 49.00 ? 32 LEU H CG 1 ATOM 118 C CD1 . LEU A 1 18 ? 43.257 -4.762 2.604 1.00 49.73 ? 32 LEU H CD1 1 ATOM 119 C CD2 . LEU A 1 18 ? 44.265 -6.995 3.110 1.00 46.72 ? 32 LEU H CD2 1 ATOM 120 N N . ASN A 1 19 ? 44.198 -5.004 -1.425 1.00 33.81 ? 33 ASN H N 1 ATOM 121 C CA . ASN A 1 19 ? 45.372 -4.958 -2.292 1.00 34.30 ? 33 ASN H CA 1 ATOM 122 C C . ASN A 1 19 ? 46.642 -4.825 -1.463 1.00 36.05 ? 33 ASN H C 1 ATOM 123 O O . ASN A 1 19 ? 46.766 -3.906 -0.644 1.00 39.12 ? 33 ASN H O 1 ATOM 124 C CB . ASN A 1 19 ? 45.292 -3.802 -3.285 1.00 34.31 ? 33 ASN H CB 1 ATOM 125 C CG . ASN A 1 19 ? 44.257 -4.032 -4.357 1.00 31.96 ? 33 ASN H CG 1 ATOM 126 O OD1 . ASN A 1 19 ? 43.715 -5.132 -4.479 1.00 31.54 ? 33 ASN H OD1 1 ATOM 127 N ND2 . ASN A 1 19 ? 43.979 -2.995 -5.137 1.00 38.77 ? 33 ASN H ND2 1 ATOM 128 N N . LEU A 1 20 ? 47.583 -5.733 -1.685 1.00 28.00 ? 34 LEU H N 1 ATOM 129 C CA . LEU A 1 20 ? 48.902 -5.668 -1.080 1.00 30.30 ? 34 LEU H CA 1 ATOM 130 C C . LEU A 1 20 ? 49.902 -5.086 -2.071 1.00 33.53 ? 34 LEU H C 1 ATOM 131 O O . LEU A 1 20 ? 49.796 -5.279 -3.290 1.00 29.54 ? 34 LEU H O 1 ATOM 132 C CB . LEU A 1 20 ? 49.366 -7.053 -0.617 1.00 26.12 ? 34 LEU H CB 1 ATOM 133 C CG . LEU A 1 20 ? 48.384 -7.820 0.266 1.00 29.61 ? 34 LEU H CG 1 ATOM 134 C CD1 . LEU A 1 20 ? 48.948 -9.176 0.650 1.00 31.09 ? 34 LEU H CD1 1 ATOM 135 C CD2 . LEU A 1 20 ? 48.040 -7.012 1.529 1.00 30.16 ? 34 LEU H CD2 1 ATOM 136 N N . SER A 1 21 ? 50.868 -4.354 -1.537 1.00 30.14 ? 35 SER H N 1 ATOM 137 C CA . SER A 1 21 ? 51.953 -3.804 -2.329 1.00 30.16 ? 35 SER H CA 1 ATOM 138 C C . SER A 1 21 ? 53.273 -4.352 -1.808 1.00 33.39 ? 35 SER H C 1 ATOM 139 O O . SER A 1 21 ? 53.387 -4.746 -0.641 1.00 31.10 ? 35 SER H O 1 ATOM 140 C CB . SER A 1 21 ? 51.954 -2.270 -2.284 1.00 32.34 ? 35 SER H CB 1 ATOM 141 O OG . SER A 1 21 ? 52.198 -1.828 -0.950 1.00 42.77 ? 35 SER H OG 1 ATOM 142 N N . CYS A 1 22 ? 54.264 -4.391 -2.692 1.00 27.79 ? 36 CYS H N 1 ATOM 143 C CA . CYS A 1 22 ? 55.616 -4.832 -2.358 1.00 25.99 ? 36 CYS H CA 1 ATOM 144 C C . CYS A 1 22 ? 56.578 -3.849 -3.013 1.00 33.35 ? 36 CYS H C 1 ATOM 145 O O . CYS A 1 22 ? 56.730 -3.852 -4.243 1.00 33.56 ? 36 CYS H O 1 ATOM 146 C CB . CYS A 1 22 ? 55.861 -6.267 -2.839 1.00 27.83 ? 36 CYS H CB 1 ATOM 147 S SG . CYS A 1 22 ? 57.600 -6.843 -2.895 1.00 36.89 ? 36 CYS H SG 1 ATOM 148 N N . ALA A 1 23 ? 57.200 -3.000 -2.197 1.00 27.73 ? 37 ALA H N 1 ATOM 149 C CA . ALA A 1 23 ? 58.162 -2.011 -2.669 1.00 30.07 ? 37 ALA H CA 1 ATOM 150 C C . ALA A 1 23 ? 59.551 -2.639 -2.786 1.00 32.88 ? 37 ALA H C 1 ATOM 151 O O . ALA A 1 23 ? 60.031 -3.289 -1.850 1.00 28.31 ? 37 ALA H O 1 ATOM 152 C CB . ALA A 1 23 ? 58.191 -0.807 -1.718 1.00 30.35 ? 37 ALA H CB 1 ATOM 153 N N . ALA A 1 24 ? 60.204 -2.445 -3.935 1.00 27.11 ? 38 ALA H N 1 ATOM 154 C CA . ALA A 1 24 ? 61.503 -3.049 -4.201 1.00 25.52 ? 38 ALA H CA 1 ATOM 155 C C . ALA A 1 24 ? 62.568 -1.979 -4.389 1.00 27.57 ? 38 ALA H C 1 ATOM 156 O O . ALA A 1 24 ? 62.308 -0.928 -4.981 1.00 31.45 ? 38 ALA H O 1 ATOM 157 C CB . ALA A 1 24 ? 61.446 -3.934 -5.456 1.00 26.74 ? 38 ALA H CB 1 ATOM 158 N N . SER A 1 25 ? 63.779 -2.256 -3.909 1.00 27.84 ? 39 SER H N 1 ATOM 159 C CA . SER A 1 25 ? 64.899 -1.357 -4.148 1.00 26.94 ? 39 SER H CA 1 ATOM 160 C C . SER A 1 25 ? 66.185 -2.164 -4.134 1.00 29.71 ? 39 SER H C 1 ATOM 161 O O . SER A 1 25 ? 66.217 -3.311 -3.677 1.00 31.46 ? 39 SER H O 1 ATOM 162 C CB . SER A 1 25 ? 64.966 -0.222 -3.113 1.00 40.31 ? 39 SER H CB 1 ATOM 163 O OG . SER A 1 25 ? 65.379 -0.707 -1.840 1.00 35.65 ? 39 SER H OG 1 ATOM 164 N N . GLY A 1 26 ? 67.249 -1.554 -4.650 1.00 30.80 ? 40 GLY H N 1 ATOM 165 C CA . GLY A 1 26 ? 68.561 -2.161 -4.590 1.00 36.17 ? 40 GLY H CA 1 ATOM 166 C C . GLY A 1 26 ? 68.876 -3.123 -5.709 1.00 38.23 ? 40 GLY H C 1 ATOM 167 O O . GLY A 1 26 ? 69.926 -3.776 -5.665 1.00 39.19 ? 40 GLY H O 1 ATOM 168 N N . PHE A 1 27 ? 68.000 -3.244 -6.700 1.00 35.17 ? 41 PHE H N 1 ATOM 169 C CA . PHE A 1 27 ? 68.276 -4.060 -7.876 1.00 37.86 ? 41 PHE H CA 1 ATOM 170 C C . PHE A 1 27 ? 67.402 -3.550 -9.013 1.00 36.83 ? 41 PHE H C 1 ATOM 171 O O . PHE A 1 27 ? 66.454 -2.793 -8.799 1.00 34.45 ? 41 PHE H O 1 ATOM 172 C CB . PHE A 1 27 ? 68.034 -5.551 -7.598 1.00 37.32 ? 41 PHE H CB 1 ATOM 173 C CG . PHE A 1 27 ? 66.595 -5.896 -7.279 1.00 39.76 ? 41 PHE H CG 1 ATOM 174 C CD1 . PHE A 1 27 ? 66.066 -5.662 -6.018 1.00 32.89 ? 41 PHE H CD1 1 ATOM 175 C CD2 . PHE A 1 27 ? 65.782 -6.479 -8.242 1.00 34.60 ? 41 PHE H CD2 1 ATOM 176 C CE1 . PHE A 1 27 ? 64.748 -5.980 -5.729 1.00 30.66 ? 41 PHE H CE1 1 ATOM 177 C CE2 . PHE A 1 27 ? 64.470 -6.797 -7.968 1.00 31.25 ? 41 PHE H CE2 1 ATOM 178 C CZ . PHE A 1 27 ? 63.947 -6.555 -6.703 1.00 33.53 ? 41 PHE H CZ 1 ATOM 179 N N . ASP A 1 28 ? 67.730 -3.971 -10.229 1.00 35.68 ? 42 ASP H N 1 ATOM 180 C CA . ASP A 1 28 ? 66.948 -3.561 -11.396 1.00 37.09 ? 42 ASP H CA 1 ATOM 181 C C . ASP A 1 28 ? 65.667 -4.387 -11.440 1.00 34.44 ? 42 ASP H C 1 ATOM 182 O O . ASP A 1 28 ? 65.613 -5.463 -12.039 1.00 37.45 ? 42 ASP H O 1 ATOM 183 C CB . ASP A 1 28 ? 67.761 -3.714 -12.676 1.00 38.20 ? 42 ASP H CB 1 ATOM 184 C CG . ASP A 1 28 ? 67.068 -3.095 -13.889 1.00 47.68 ? 42 ASP H CG 1 ATOM 185 O OD1 . ASP A 1 28 ? 65.872 -2.730 -13.783 1.00 42.05 ? 42 ASP H OD1 1 ATOM 186 O OD2 . ASP A 1 28 ? 67.719 -2.983 -14.953 1.00 50.19 ? 42 ASP H OD2 1 ATOM 187 N N . PHE A 1 29 ? 64.613 -3.840 -10.824 1.00 37.34 ? 43 PHE H N 1 ATOM 188 C CA . PHE A 1 29 ? 63.332 -4.536 -10.695 1.00 31.60 ? 43 PHE H CA 1 ATOM 189 C C . PHE A 1 29 ? 62.805 -5.016 -12.045 1.00 33.63 ? 43 PHE H C 1 ATOM 190 O O . PHE A 1 29 ? 62.258 -6.120 -12.150 1.00 33.19 ? 43 PHE H O 1 ATOM 191 C CB . PHE A 1 29 ? 62.331 -3.596 -10.017 1.00 32.26 ? 43 PHE H CB 1 ATOM 192 C CG . PHE A 1 29 ? 60.967 -4.192 -9.759 1.00 30.47 ? 43 PHE H CG 1 ATOM 193 C CD1 . PHE A 1 29 ? 60.751 -5.023 -8.676 1.00 28.29 ? 43 PHE H CD1 1 ATOM 194 C CD2 . PHE A 1 29 ? 59.881 -3.847 -10.560 1.00 27.64 ? 43 PHE H CD2 1 ATOM 195 C CE1 . PHE A 1 29 ? 59.485 -5.545 -8.408 1.00 28.42 ? 43 PHE H CE1 1 ATOM 196 C CE2 . PHE A 1 29 ? 58.614 -4.366 -10.301 1.00 32.65 ? 43 PHE H CE2 1 ATOM 197 C CZ . PHE A 1 29 ? 58.416 -5.214 -9.218 1.00 29.69 ? 43 PHE H CZ 1 ATOM 198 N N . SER A 1 30 ? 62.980 -4.208 -13.094 1.00 35.27 ? 44 SER H N 1 ATOM 199 C CA . SER A 1 30 ? 62.397 -4.525 -14.395 1.00 35.69 ? 44 SER H CA 1 ATOM 200 C C . SER A 1 30 ? 63.008 -5.761 -15.042 1.00 36.86 ? 44 SER H C 1 ATOM 201 O O . SER A 1 30 ? 62.486 -6.220 -16.064 1.00 40.21 ? 44 SER H O 1 ATOM 202 C CB . SER A 1 30 ? 62.544 -3.330 -15.339 1.00 33.60 ? 44 SER H CB 1 ATOM 203 O OG . SER A 1 30 ? 63.900 -3.159 -15.725 1.00 42.86 ? 44 SER H OG 1 ATOM 204 N N . ARG A 1 31 ? 64.088 -6.310 -14.487 1.00 36.79 ? 45 ARG H N 1 ATOM 205 C CA . ARG A 1 31 ? 64.767 -7.452 -15.082 1.00 46.05 ? 45 ARG H CA 1 ATOM 206 C C . ARG A 1 31 ? 64.482 -8.770 -14.370 1.00 40.65 ? 45 ARG H C 1 ATOM 207 O O . ARG A 1 31 ? 65.010 -9.801 -14.790 1.00 38.72 ? 45 ARG H O 1 ATOM 208 C CB . ARG A 1 31 ? 66.284 -7.218 -15.100 1.00 50.68 ? 45 ARG H CB 1 ATOM 209 C CG . ARG A 1 31 ? 66.749 -6.031 -15.924 1.00 62.42 ? 45 ARG H CG 1 ATOM 210 C CD . ARG A 1 31 ? 66.611 -6.285 -17.415 1.00 76.46 ? 45 ARG H CD 1 ATOM 211 N NE . ARG A 1 31 ? 67.375 -5.317 -18.201 1.00 89.86 ? 45 ARG H NE 1 ATOM 212 C CZ . ARG A 1 31 ? 66.932 -4.111 -18.544 1.00 91.72 ? 45 ARG H CZ 1 ATOM 213 N NH1 . ARG A 1 31 ? 67.702 -3.299 -19.258 1.00 96.25 ? 45 ARG H NH1 1 ATOM 214 N NH2 . ARG A 1 31 ? 65.721 -3.713 -18.174 1.00 88.29 ? 45 ARG H NH2 1 ATOM 215 N N . TYR A 1 32 ? 63.677 -8.773 -13.304 1.00 33.91 ? 46 TYR H N 1 ATOM 216 C CA . TYR A 1 32 ? 63.497 -9.961 -12.483 1.00 30.09 ? 46 TYR H CA 1 ATOM 217 C C . TYR A 1 32 ? 62.053 -10.448 -12.481 1.00 30.36 ? 46 TYR H C 1 ATOM 218 O O . TYR A 1 32 ? 61.110 -9.650 -12.464 1.00 31.84 ? 46 TYR H O 1 ATOM 219 C CB . TYR A 1 32 ? 63.943 -9.687 -11.031 1.00 29.67 ? 46 TYR H CB 1 ATOM 220 C CG . TYR A 1 32 ? 65.445 -9.644 -10.848 1.00 33.99 ? 46 TYR H CG 1 ATOM 221 C CD1 . TYR A 1 32 ? 66.167 -8.483 -11.114 1.00 36.00 ? 46 TYR H CD1 1 ATOM 222 C CD2 . TYR A 1 32 ? 66.143 -10.764 -10.419 1.00 32.85 ? 46 TYR H CD2 1 ATOM 223 C CE1 . TYR A 1 32 ? 67.540 -8.445 -10.943 1.00 39.38 ? 46 TYR H CE1 1 ATOM 224 C CE2 . TYR A 1 32 ? 67.517 -10.736 -10.249 1.00 38.06 ? 46 TYR H CE2 1 ATOM 225 C CZ . TYR A 1 32 ? 68.209 -9.574 -10.507 1.00 46.95 ? 46 TYR H CZ 1 ATOM 226 O OH . TYR A 1 32 ? 69.576 -9.541 -10.339 1.00 53.60 ? 46 TYR H OH 1 ATOM 227 N N . TRP A 1 33 ? 61.893 -11.769 -12.457 1.00 29.05 ? 47 TRP H N 1 ATOM 228 C CA . TRP A 1 33 ? 60.616 -12.367 -12.107 1.00 27.24 ? 47 TRP H CA 1 ATOM 229 C C . TRP A 1 33 ? 60.337 -12.105 -10.632 1.00 29.36 ? 47 TRP H C 1 ATOM 230 O O . TRP A 1 33 ? 61.261 -12.025 -9.818 1.00 30.56 ? 47 TRP H O 1 ATOM 231 C CB . TRP A 1 33 ? 60.638 -13.874 -12.350 1.00 29.46 ? 47 TRP H CB 1 ATOM 232 C CG . TRP A 1 33 ? 60.664 -14.336 -13.801 1.00 33.86 ? 47 TRP H CG 1 ATOM 233 C CD1 . TRP A 1 33 ? 61.652 -14.117 -14.730 1.00 33.20 ? 47 TRP H CD1 1 ATOM 234 C CD2 . TRP A 1 33 ? 59.693 -15.164 -14.441 1.00 36.14 ? 47 TRP H CD2 1 ATOM 235 N NE1 . TRP A 1 33 ? 61.329 -14.732 -15.919 1.00 38.43 ? 47 TRP H NE1 1 ATOM 236 C CE2 . TRP A 1 33 ? 60.131 -15.381 -15.768 1.00 37.98 ? 47 TRP H CE2 1 ATOM 237 C CE3 . TRP A 1 33 ? 58.478 -15.722 -14.032 1.00 35.55 ? 47 TRP H CE3 1 ATOM 238 C CZ2 . TRP A 1 33 ? 59.407 -16.148 -16.677 1.00 44.46 ? 47 TRP H CZ2 1 ATOM 239 C CZ3 . TRP A 1 33 ? 57.759 -16.481 -14.939 1.00 36.61 ? 47 TRP H CZ3 1 ATOM 240 C CH2 . TRP A 1 33 ? 58.224 -16.685 -16.245 1.00 41.26 ? 47 TRP H CH2 1 ATOM 241 N N . MET A 1 34 ? 59.056 -11.942 -10.296 1.00 24.87 ? 48 MET H N 1 ATOM 242 C CA . MET A 1 34 ? 58.636 -11.725 -8.909 1.00 22.96 ? 48 MET H CA 1 ATOM 243 C C . MET A 1 34 ? 57.548 -12.724 -8.537 1.00 30.57 ? 48 MET H C 1 ATOM 244 O O . MET A 1 34 ? 56.902 -13.319 -9.403 1.00 28.52 ? 48 MET H O 1 ATOM 245 C CB . MET A 1 34 ? 58.132 -10.287 -8.692 1.00 29.30 ? 48 MET H CB 1 ATOM 246 C CG . MET A 1 34 ? 59.189 -9.201 -8.900 1.00 31.18 ? 48 MET H CG 1 ATOM 247 S SD . MET A 1 34 ? 60.566 -9.241 -7.699 1.00 29.64 ? 48 MET H SD 1 ATOM 248 C CE . MET A 1 34 ? 59.729 -8.953 -6.122 1.00 26.76 ? 48 MET H CE 1 ATOM 249 N N . SER A 1 35 ? 57.344 -12.918 -7.230 1.00 25.87 ? 49 SER H N 1 ATOM 250 C CA . SER A 1 35 ? 56.388 -13.924 -6.791 1.00 22.50 ? 49 SER H CA 1 ATOM 251 C C . SER A 1 35 ? 55.779 -13.535 -5.446 1.00 26.12 ? 49 SER H C 1 ATOM 252 O O . SER A 1 35 ? 56.269 -12.643 -4.737 1.00 26.92 ? 49 SER H O 1 ATOM 253 C CB . SER A 1 35 ? 57.046 -15.302 -6.684 1.00 27.74 ? 49 SER H CB 1 ATOM 254 O OG . SER A 1 35 ? 58.120 -15.285 -5.741 1.00 28.60 ? 49 SER H OG 1 ATOM 255 N N . TRP A 1 36 ? 54.685 -14.210 -5.113 1.00 27.56 ? 50 TRP H N 1 ATOM 256 C CA . TRP A 1 36 ? 54.049 -14.080 -3.806 1.00 25.97 ? 50 TRP H CA 1 ATOM 257 C C . TRP A 1 36 ? 53.937 -15.458 -3.167 1.00 28.94 ? 50 TRP H C 1 ATOM 258 O O . TRP A 1 36 ? 53.783 -16.466 -3.863 1.00 27.89 ? 50 TRP H O 1 ATOM 259 C CB . TRP A 1 36 ? 52.647 -13.453 -3.907 1.00 29.03 ? 50 TRP H CB 1 ATOM 260 C CG . TRP A 1 36 ? 52.599 -11.987 -4.244 1.00 28.59 ? 50 TRP H CG 1 ATOM 261 C CD1 . TRP A 1 36 ? 52.446 -11.433 -5.489 1.00 27.63 ? 50 TRP H CD1 1 ATOM 262 C CD2 . TRP A 1 36 ? 52.674 -10.888 -3.325 1.00 27.19 ? 50 TRP H CD2 1 ATOM 263 N NE1 . TRP A 1 36 ? 52.425 -10.059 -5.397 1.00 28.69 ? 50 TRP H NE1 1 ATOM 264 C CE2 . TRP A 1 36 ? 52.561 -9.700 -4.080 1.00 30.77 ? 50 TRP H CE2 1 ATOM 265 C CE3 . TRP A 1 36 ? 52.818 -10.793 -1.936 1.00 27.68 ? 50 TRP H CE3 1 ATOM 266 C CZ2 . TRP A 1 36 ? 52.602 -8.436 -3.498 1.00 29.41 ? 50 TRP H CZ2 1 ATOM 267 C CZ3 . TRP A 1 36 ? 52.859 -9.536 -1.360 1.00 27.34 ? 50 TRP H CZ3 1 ATOM 268 C CH2 . TRP A 1 36 ? 52.749 -8.375 -2.131 1.00 28.45 ? 50 TRP H CH2 1 ATOM 269 N N . ALA A 1 37 ? 54.037 -15.493 -1.833 1.00 27.25 ? 51 ALA H N 1 ATOM 270 C CA . ALA A 1 37 ? 53.806 -16.702 -1.053 1.00 26.14 ? 51 ALA H CA 1 ATOM 271 C C . ALA A 1 37 ? 53.149 -16.292 0.255 1.00 27.31 ? 51 ALA H C 1 ATOM 272 O O . ALA A 1 37 ? 53.120 -15.109 0.613 1.00 27.65 ? 51 ALA H O 1 ATOM 273 C CB . ALA A 1 37 ? 55.104 -17.481 -0.780 1.00 25.06 ? 51 ALA H CB 1 ATOM 274 N N . ARG A 1 38 ? 52.625 -17.276 0.981 1.00 29.33 ? 52 ARG H N 1 ATOM 275 C CA . ARG A 1 38 ? 51.975 -16.965 2.246 1.00 27.32 ? 52 ARG H CA 1 ATOM 276 C C . ARG A 1 38 ? 52.164 -18.103 3.235 1.00 31.24 ? 52 ARG H C 1 ATOM 277 O O . ARG A 1 38 ? 52.320 -19.268 2.859 1.00 32.85 ? 52 ARG H O 1 ATOM 278 C CB . ARG A 1 38 ? 50.485 -16.682 2.053 1.00 30.64 ? 52 ARG H CB 1 ATOM 279 C CG . ARG A 1 38 ? 49.688 -17.892 1.596 1.00 30.28 ? 52 ARG H CG 1 ATOM 280 C CD . ARG A 1 38 ? 48.234 -17.522 1.381 1.00 35.53 ? 52 ARG H CD 1 ATOM 281 N NE . ARG A 1 38 ? 47.444 -18.672 0.947 1.00 34.77 ? 52 ARG H NE 1 ATOM 282 C CZ . ARG A 1 38 ? 46.134 -18.635 0.730 1.00 37.28 ? 52 ARG H CZ 1 ATOM 283 N NH1 . ARG A 1 38 ? 45.496 -19.731 0.329 1.00 36.49 ? 52 ARG H NH1 1 ATOM 284 N NH2 . ARG A 1 38 ? 45.462 -17.499 0.897 1.00 32.22 ? 52 ARG H NH2 1 ATOM 285 N N . GLN A 1 39 ? 52.137 -17.755 4.517 1.00 28.38 ? 53 GLN H N 1 ATOM 286 C CA . GLN A 1 39 ? 52.225 -18.746 5.584 1.00 28.66 ? 53 GLN H CA 1 ATOM 287 C C . GLN A 1 39 ? 51.073 -18.516 6.548 1.00 36.48 ? 53 GLN H C 1 ATOM 288 O O . GLN A 1 39 ? 51.065 -17.525 7.284 1.00 34.08 ? 53 GLN H O 1 ATOM 289 C CB . GLN A 1 39 ? 53.562 -18.662 6.314 1.00 33.86 ? 53 GLN H CB 1 ATOM 290 C CG . GLN A 1 39 ? 53.716 -19.695 7.407 1.00 36.88 ? 53 GLN H CG 1 ATOM 291 C CD . GLN A 1 39 ? 55.150 -19.845 7.855 1.00 46.05 ? 53 GLN H CD 1 ATOM 292 O OE1 . GLN A 1 39 ? 55.857 -18.857 8.058 1.00 49.06 ? 53 GLN H OE1 1 ATOM 293 N NE2 . GLN A 1 39 ? 55.596 -21.085 7.996 1.00 51.43 ? 53 GLN H NE2 1 ATOM 294 N N . ALA A 1 40 ? 50.106 -19.425 6.532 1.00 37.90 ? 54 ALA H N 1 ATOM 295 C CA . ALA A 1 40 ? 48.981 -19.364 7.441 1.00 43.51 ? 54 ALA H CA 1 ATOM 296 C C . ALA A 1 40 ? 49.417 -19.836 8.822 1.00 43.98 ? 54 ALA H C 1 ATOM 297 O O . ALA A 1 40 ? 50.410 -20.558 8.954 1.00 48.17 ? 54 ALA H O 1 ATOM 298 C CB . ALA A 1 40 ? 47.832 -20.218 6.910 1.00 46.82 ? 54 ALA H CB 1 ATOM 299 N N . PRO A 1 41 ? 48.708 -19.420 9.871 1.00 54.16 ? 55 PRO H N 1 ATOM 300 C CA . PRO A 1 41 ? 49.065 -19.855 11.229 1.00 54.68 ? 55 PRO H CA 1 ATOM 301 C C . PRO A 1 41 ? 49.198 -21.369 11.328 1.00 55.77 ? 55 PRO H C 1 ATOM 302 O O . PRO A 1 41 ? 48.320 -22.122 10.898 1.00 59.03 ? 55 PRO H O 1 ATOM 303 C CB . PRO A 1 41 ? 47.902 -19.333 12.076 1.00 55.40 ? 55 PRO H CB 1 ATOM 304 C CG . PRO A 1 41 ? 47.445 -18.116 11.349 1.00 52.73 ? 55 PRO H CG 1 ATOM 305 C CD . PRO A 1 41 ? 47.616 -18.428 9.883 1.00 52.51 ? 55 PRO H CD 1 ATOM 306 N N . GLY A 1 42 ? 50.330 -21.813 11.868 1.00 53.76 ? 56 GLY H N 1 ATOM 307 C CA . GLY A 1 42 ? 50.585 -23.225 12.070 1.00 62.37 ? 56 GLY H CA 1 ATOM 308 C C . GLY A 1 42 ? 50.890 -24.038 10.829 1.00 60.83 ? 56 GLY H C 1 ATOM 309 O O . GLY A 1 42 ? 51.171 -25.234 10.953 1.00 63.39 ? 56 GLY H O 1 ATOM 310 N N . LYS A 1 43 ? 50.859 -23.446 9.641 1.00 54.39 ? 57 LYS H N 1 ATOM 311 C CA . LYS A 1 43 ? 51.068 -24.196 8.412 1.00 50.99 ? 57 LYS H CA 1 ATOM 312 C C . LYS A 1 43 ? 52.410 -23.839 7.786 1.00 51.03 ? 57 LYS H C 1 ATOM 313 O O . LYS A 1 43 ? 53.092 -22.896 8.197 1.00 44.88 ? 57 LYS H O 1 ATOM 314 C CB . LYS A 1 43 ? 49.930 -23.936 7.417 1.00 56.09 ? 57 LYS H CB 1 ATOM 315 C CG . LYS A 1 43 ? 48.570 -24.403 7.911 1.00 71.38 ? 57 LYS H CG 1 ATOM 316 C CD . LYS A 1 43 ? 47.488 -24.160 6.869 1.00 82.70 ? 57 LYS H CD 1 ATOM 317 C CE . LYS A 1 43 ? 46.123 -24.607 7.380 1.00 93.57 ? 57 LYS H CE 1 ATOM 318 N NZ . LYS A 1 43 ? 45.033 -24.254 6.425 1.00 96.03 ? 57 LYS H NZ 1 ATOM 319 N N . GLY A 1 44 ? 52.788 -24.621 6.778 1.00 44.73 ? 58 GLY H N 1 ATOM 320 C CA . GLY A 1 44 ? 53.986 -24.338 6.024 1.00 42.94 ? 58 GLY H CA 1 ATOM 321 C C . GLY A 1 44 ? 53.768 -23.219 5.029 1.00 39.57 ? 58 GLY H C 1 ATOM 322 O O . GLY A 1 44 ? 52.688 -22.640 4.914 1.00 42.65 ? 58 GLY H O 1 ATOM 323 N N . GLN A 1 45 ? 54.827 -22.911 4.289 1.00 32.62 ? 59 GLN H N 1 ATOM 324 C CA . GLN A 1 45 ? 54.722 -21.919 3.229 1.00 32.77 ? 59 GLN H CA 1 ATOM 325 C C . GLN A 1 45 ? 53.881 -22.457 2.074 1.00 34.76 ? 59 GLN H C 1 ATOM 326 O O . GLN A 1 45 ? 53.878 -23.658 1.791 1.00 33.13 ? 59 GLN H O 1 ATOM 327 C CB . GLN A 1 45 ? 56.110 -21.533 2.721 1.00 37.24 ? 59 GLN H CB 1 ATOM 328 C CG . GLN A 1 45 ? 56.930 -20.728 3.717 1.00 37.72 ? 59 GLN H CG 1 ATOM 329 C CD . GLN A 1 45 ? 56.472 -19.280 3.820 1.00 34.63 ? 59 GLN H CD 1 ATOM 330 O OE1 . GLN A 1 45 ? 55.685 -18.804 3.003 1.00 36.85 ? 59 GLN H OE1 1 ATOM 331 N NE2 . GLN A 1 45 ? 56.980 -18.570 4.818 1.00 36.85 ? 59 GLN H NE2 1 ATOM 332 N N . GLU A 1 46 ? 53.156 -21.548 1.416 1.00 32.27 ? 60 GLU H N 1 ATOM 333 C CA . GLU A 1 46 ? 52.336 -21.857 0.246 1.00 33.52 ? 60 GLU H CA 1 ATOM 334 C C . GLU A 1 46 ? 52.635 -20.864 -0.870 1.00 32.57 ? 60 GLU H C 1 ATOM 335 O O . GLU A 1 46 ? 52.487 -19.652 -0.686 1.00 28.56 ? 60 GLU H O 1 ATOM 336 C CB . GLU A 1 46 ? 50.838 -21.831 0.579 1.00 32.97 ? 60 GLU H CB 1 ATOM 337 C CG . GLU A 1 46 ? 49.971 -22.155 -0.641 1.00 42.70 ? 60 GLU H CG 1 ATOM 338 C CD . GLU A 1 46 ? 48.479 -22.169 -0.350 1.00 48.37 ? 60 GLU H CD 1 ATOM 339 O OE1 . GLU A 1 46 ? 48.020 -21.421 0.543 1.00 42.35 ? 60 GLU H OE1 1 ATOM 340 O OE2 . GLU A 1 46 ? 47.760 -22.935 -1.026 1.00 42.19 ? 60 GLU H OE2 1 ATOM 341 N N . TRP A 1 47 ? 53.026 -21.381 -2.037 1.00 28.56 ? 61 TRP H N 1 ATOM 342 C CA . TRP A 1 47 ? 53.313 -20.533 -3.187 1.00 26.45 ? 61 TRP H CA 1 ATOM 343 C C . TRP A 1 47 ? 52.011 -20.035 -3.803 1.00 28.11 ? 61 TRP H C 1 ATOM 344 O O . TRP A 1 47 ? 51.087 -20.820 -4.030 1.00 34.87 ? 61 TRP H O 1 ATOM 345 C CB . TRP A 1 47 ? 54.117 -21.342 -4.206 1.00 26.23 ? 61 TRP H CB 1 ATOM 346 C CG . TRP A 1 47 ? 54.586 -20.636 -5.451 1.00 30.29 ? 61 TRP H CG 1 ATOM 347 C CD1 . TRP A 1 47 ? 55.772 -19.982 -5.625 1.00 31.32 ? 61 TRP H CD1 1 ATOM 348 C CD2 . TRP A 1 47 ? 53.915 -20.597 -6.730 1.00 31.18 ? 61 TRP H CD2 1 ATOM 349 N NE1 . TRP A 1 47 ? 55.871 -19.512 -6.923 1.00 34.45 ? 61 TRP H NE1 1 ATOM 350 C CE2 . TRP A 1 47 ? 54.743 -19.873 -7.615 1.00 32.69 ? 61 TRP H CE2 1 ATOM 351 C CE3 . TRP A 1 47 ? 52.685 -21.074 -7.194 1.00 34.97 ? 61 TRP H CE3 1 ATOM 352 C CZ2 . TRP A 1 47 ? 54.386 -19.629 -8.950 1.00 32.32 ? 61 TRP H CZ2 1 ATOM 353 C CZ3 . TRP A 1 47 ? 52.331 -20.833 -8.531 1.00 35.48 ? 61 TRP H CZ3 1 ATOM 354 C CH2 . TRP A 1 47 ? 53.180 -20.118 -9.384 1.00 33.45 ? 61 TRP H CH2 1 ATOM 355 N N . ILE A 1 48 ? 51.923 -18.734 -4.052 1.00 26.42 ? 62 ILE H N 1 ATOM 356 C CA . ILE A 1 48 ? 50.711 -18.131 -4.598 1.00 28.41 ? 62 ILE H CA 1 ATOM 357 C C . ILE A 1 48 ? 50.791 -17.981 -6.113 1.00 31.45 ? 62 ILE H C 1 ATOM 358 O O . ILE A 1 48 ? 49.891 -18.414 -6.830 1.00 30.95 ? 62 ILE H O 1 ATOM 359 C CB . ILE A 1 48 ? 50.423 -16.776 -3.915 1.00 29.25 ? 62 ILE H CB 1 ATOM 360 C CG1 . ILE A 1 48 ? 50.211 -16.986 -2.412 1.00 27.21 ? 62 ILE H CG1 1 ATOM 361 C CG2 . ILE A 1 48 ? 49.209 -16.111 -4.558 1.00 29.65 ? 62 ILE H CG2 1 ATOM 362 C CD1 . ILE A 1 48 ? 50.079 -15.683 -1.604 1.00 27.12 ? 62 ILE H CD1 1 ATOM 363 N N . GLY A 1 49 ? 51.856 -17.368 -6.618 1.00 26.57 ? 63 GLY H N 1 ATOM 364 C CA . GLY A 1 49 ? 51.970 -17.156 -8.051 1.00 26.52 ? 63 GLY H CA 1 ATOM 365 C C . GLY A 1 49 ? 53.228 -16.386 -8.380 1.00 30.65 ? 63 GLY H C 1 ATOM 366 O O . GLY A 1 49 ? 54.016 -16.026 -7.496 1.00 28.56 ? 63 GLY H O 1 ATOM 367 N N . GLU A 1 50 ? 53.405 -16.135 -9.678 1.00 29.36 ? 64 GLU H N 1 ATOM 368 C CA . GLU A 1 50 ? 54.617 -15.517 -10.191 1.00 27.74 ? 64 GLU H CA 1 ATOM 369 C C . GLU A 1 50 ? 54.264 -14.639 -11.387 1.00 33.68 ? 64 GLU H C 1 ATOM 370 O O . GLU A 1 50 ? 53.243 -14.838 -12.049 1.00 31.52 ? 64 GLU H O 1 ATOM 371 C CB . GLU A 1 50 ? 55.645 -16.579 -10.603 1.00 26.88 ? 64 GLU H CB 1 ATOM 372 C CG . GLU A 1 50 ? 55.183 -17.395 -11.814 1.00 28.33 ? 64 GLU H CG 1 ATOM 373 C CD . GLU A 1 50 ? 56.057 -18.594 -12.136 1.00 37.01 ? 64 GLU H CD 1 ATOM 374 O OE1 . GLU A 1 50 ? 56.870 -19.020 -11.286 1.00 36.06 ? 64 GLU H OE1 1 ATOM 375 O OE2 . GLU A 1 50 ? 55.910 -19.137 -13.259 1.00 35.20 ? 64 GLU H OE2 1 ATOM 376 N N . ILE A 1 51 ? 55.135 -13.677 -11.675 1.00 29.18 ? 65 ILE H N 1 ATOM 377 C CA . ILE A 1 51 ? 54.954 -12.786 -12.818 1.00 27.83 ? 65 ILE H CA 1 ATOM 378 C C . ILE A 1 51 ? 56.317 -12.487 -13.424 1.00 29.73 ? 65 ILE H C 1 ATOM 379 O O . ILE A 1 51 ? 57.290 -12.239 -12.707 1.00 32.62 ? 65 ILE H O 1 ATOM 380 C CB . ILE A 1 51 ? 54.206 -11.500 -12.404 1.00 29.07 ? 65 ILE H CB 1 ATOM 381 C CG1 . ILE A 1 51 ? 53.972 -10.585 -13.608 1.00 30.89 ? 65 ILE H CG1 1 ATOM 382 C CG2 . ILE A 1 51 ? 54.923 -10.781 -11.248 1.00 32.82 ? 65 ILE H CG2 1 ATOM 383 C CD1 . ILE A 1 51 ? 52.997 -9.465 -13.304 1.00 31.93 ? 65 ILE H CD1 1 ATOM 384 N N . ASN A 1 52 ? 56.399 -12.525 -14.748 1.00 29.76 ? 66 ASN H N 1 ATOM 385 C CA . ASN A 1 52 ? 57.670 -12.289 -15.420 1.00 31.02 ? 66 ASN H CA 1 ATOM 386 C C . ASN A 1 52 ? 57.878 -10.788 -15.601 1.00 33.71 ? 66 ASN H C 1 ATOM 387 O O . ASN A 1 52 ? 56.970 -9.994 -15.338 1.00 34.26 ? 66 ASN H O 1 ATOM 388 C CB . ASN A 1 52 ? 57.720 -13.088 -16.733 1.00 32.47 ? 66 ASN H CB 1 ATOM 389 C CG . ASN A 1 52 ? 56.862 -12.501 -17.859 1.00 36.41 ? 66 ASN H CG 1 ATOM 390 O OD1 . ASN A 1 52 ? 55.954 -11.709 -17.640 1.00 37.59 ? 66 ASN H OD1 1 ATOM 391 N ND2 . ASN A 1 52 ? 57.143 -12.938 -19.086 1.00 41.82 ? 66 ASN H ND2 1 ATOM 392 N N . PRO A 1 53 ? 59.087 -10.357 -16.005 1.00 34.67 ? 67 PRO H N 1 ATOM 393 C CA . PRO A 1 53 ? 59.357 -8.907 -16.058 1.00 32.80 ? 67 PRO H CA 1 ATOM 394 C C . PRO A 1 53 ? 58.366 -8.106 -16.883 1.00 37.82 ? 67 PRO H C 1 ATOM 395 O O . PRO A 1 53 ? 57.981 -7.004 -16.467 1.00 38.86 ? 67 PRO H O 1 ATOM 396 C CB . PRO A 1 53 ? 60.769 -8.847 -16.654 1.00 36.65 ? 67 PRO H CB 1 ATOM 397 C CG . PRO A 1 53 ? 61.412 -10.087 -16.167 1.00 36.77 ? 67 PRO H CG 1 ATOM 398 C CD . PRO A 1 53 ? 60.326 -11.137 -16.188 1.00 43.42 ? 67 PRO H CD 1 ATOM 399 N N . GLY A 1 54 ? 57.944 -8.617 -18.041 1.00 36.79 ? 68 GLY H N 1 ATOM 400 C CA . GLY A 1 54 ? 57.037 -7.878 -18.889 1.00 37.96 ? 68 GLY H CA 1 ATOM 401 C C . GLY A 1 54 ? 55.558 -8.108 -18.658 1.00 38.28 ? 68 GLY H C 1 ATOM 402 O O . GLY A 1 54 ? 54.749 -7.622 -19.459 1.00 43.21 ? 68 GLY H O 1 ATOM 403 N N . SER A 1 55 ? 55.181 -8.843 -17.609 1.00 37.22 ? 69 SER H N 1 ATOM 404 C CA . SER A 1 55 ? 53.787 -9.142 -17.271 1.00 36.54 ? 69 SER H CA 1 ATOM 405 C C . SER A 1 55 ? 53.074 -9.928 -18.370 1.00 42.98 ? 69 SER H C 1 ATOM 406 O O . SER A 1 55 ? 51.839 -9.962 -18.413 1.00 44.84 ? 69 SER H O 1 ATOM 407 C CB . SER A 1 55 ? 52.997 -7.866 -16.948 1.00 40.25 ? 69 SER H CB 1 ATOM 408 O OG . SER A 1 55 ? 53.600 -7.144 -15.885 1.00 35.65 ? 69 SER H OG 1 ATOM 409 N N . SER A 1 56 ? 53.820 -10.559 -19.271 1.00 42.63 ? 70 SER H N 1 ATOM 410 C CA . SER A 1 56 ? 53.207 -11.390 -20.296 1.00 43.03 ? 70 SER H CA 1 ATOM 411 C C . SER A 1 56 ? 52.991 -12.822 -19.829 1.00 42.79 ? 70 SER H C 1 ATOM 412 O O . SER A 1 56 ? 52.271 -13.574 -20.494 1.00 45.49 ? 70 SER H O 1 ATOM 413 C CB . SER A 1 56 ? 54.059 -11.379 -21.569 1.00 49.13 ? 70 SER H CB 1 ATOM 414 O OG . SER A 1 56 ? 55.374 -11.819 -21.292 1.00 47.22 ? 70 SER H OG 1 ATOM 415 N N . THR A 1 57 ? 53.591 -13.209 -18.703 1.00 37.08 ? 71 THR H N 1 ATOM 416 C CA . THR A 1 57 ? 53.367 -14.512 -18.091 1.00 40.28 ? 71 THR H CA 1 ATOM 417 C C . THR A 1 57 ? 53.029 -14.299 -16.626 1.00 37.71 ? 71 THR H C 1 ATOM 418 O O . THR A 1 57 ? 53.833 -13.729 -15.882 1.00 34.60 ? 71 THR H O 1 ATOM 419 C CB . THR A 1 57 ? 54.596 -15.414 -18.227 1.00 42.83 ? 71 THR H CB 1 ATOM 420 O OG1 . THR A 1 57 ? 54.796 -15.736 -19.604 1.00 45.13 ? 71 THR H OG1 1 ATOM 421 C CG2 . THR A 1 57 ? 54.395 -16.704 -17.451 1.00 44.52 ? 71 THR H CG2 1 ATOM 422 N N . ILE A 1 58 ? 51.837 -14.731 -16.224 1.00 37.66 ? 72 ILE H N 1 ATOM 423 C CA . ILE A 1 58 ? 51.394 -14.677 -14.833 1.00 34.97 ? 72 ILE H CA 1 ATOM 424 C C . ILE A 1 58 ? 50.769 -16.026 -14.513 1.00 36.85 ? 72 ILE H C 1 ATOM 425 O O . ILE A 1 58 ? 49.871 -16.479 -15.232 1.00 41.63 ? 72 ILE H O 1 ATOM 426 C CB . ILE A 1 58 ? 50.379 -13.540 -14.587 1.00 34.31 ? 72 ILE H CB 1 ATOM 427 C CG1 . ILE A 1 58 ? 50.869 -12.226 -15.206 1.00 36.22 ? 72 ILE H CG1 1 ATOM 428 C CG2 . ILE A 1 58 ? 50.104 -13.375 -13.084 1.00 32.86 ? 72 ILE H CG2 1 ATOM 429 C CD1 . ILE A 1 58 ? 49.868 -11.085 -15.138 1.00 39.91 ? 72 ILE H CD1 1 ATOM 430 N N . LYS A 1 59 ? 51.252 -16.679 -13.453 1.00 33.85 ? 73 LYS H N 1 ATOM 431 C CA . LYS A 1 59 ? 50.771 -18.006 -13.100 1.00 35.04 ? 73 LYS H CA 1 ATOM 432 C C . LYS A 1 59 ? 50.392 -18.028 -11.631 1.00 32.94 ? 73 LYS H C 1 ATOM 433 O O . LYS A 1 59 ? 50.949 -17.283 -10.821 1.00 33.20 ? 73 LYS H O 1 ATOM 434 C CB . LYS A 1 59 ? 51.809 -19.095 -13.390 1.00 34.93 ? 73 LYS H CB 1 ATOM 435 C CG . LYS A 1 59 ? 52.129 -19.267 -14.884 1.00 41.13 ? 73 LYS H CG 1 ATOM 436 C CD . LYS A 1 59 ? 53.071 -20.433 -15.125 1.00 52.36 ? 73 LYS H CD 1 ATOM 437 C CE . LYS A 1 59 ? 53.327 -20.661 -16.616 1.00 61.74 ? 73 LYS H CE 1 ATOM 438 N NZ . LYS A 1 59 ? 52.067 -20.891 -17.381 1.00 72.49 ? 73 LYS H NZ 1 ATOM 439 N N . TYR A 1 60 ? 49.432 -18.889 -11.304 1.00 36.23 ? 74 TYR H N 1 ATOM 440 C CA . TYR A 1 60 ? 48.881 -18.982 -9.960 1.00 36.15 ? 74 TYR H CA 1 ATOM 441 C C . TYR A 1 60 ? 48.734 -20.441 -9.557 1.00 36.98 ? 74 TYR H C 1 ATOM 442 O O . TYR A 1 60 ? 48.663 -21.334 -10.403 1.00 38.79 ? 74 TYR H O 1 ATOM 443 C CB . TYR A 1 60 ? 47.487 -18.343 -9.861 1.00 34.85 ? 74 TYR H CB 1 ATOM 444 C CG . TYR A 1 60 ? 47.371 -16.926 -10.358 1.00 34.74 ? 74 TYR H CG 1 ATOM 445 C CD1 . TYR A 1 60 ? 47.132 -16.650 -11.703 1.00 39.60 ? 74 TYR H CD1 1 ATOM 446 C CD2 . TYR A 1 60 ? 47.479 -15.860 -9.479 1.00 29.70 ? 74 TYR H CD2 1 ATOM 447 C CE1 . TYR A 1 60 ? 47.020 -15.346 -12.148 1.00 35.04 ? 74 TYR H CE1 1 ATOM 448 C CE2 . TYR A 1 60 ? 47.372 -14.563 -9.912 1.00 35.22 ? 74 TYR H CE2 1 ATOM 449 C CZ . TYR A 1 60 ? 47.138 -14.305 -11.240 1.00 37.02 ? 74 TYR H CZ 1 ATOM 450 O OH . TYR A 1 60 ? 47.030 -13.002 -11.650 1.00 35.13 ? 74 TYR H OH 1 ATOM 451 N N . THR A 1 61 ? 48.671 -20.679 -8.254 1.00 34.27 ? 75 THR H N 1 ATOM 452 C CA A THR A 1 61 ? 48.189 -21.964 -7.765 0.50 35.58 ? 75 THR H CA 1 ATOM 453 C CA B THR A 1 61 ? 48.201 -21.975 -7.803 0.50 35.43 ? 75 THR H CA 1 ATOM 454 C C . THR A 1 61 ? 46.707 -22.076 -8.108 1.00 37.86 ? 75 THR H C 1 ATOM 455 O O . THR A 1 61 ? 45.960 -21.114 -7.892 1.00 35.52 ? 75 THR H O 1 ATOM 456 C CB A THR A 1 61 ? 48.403 -22.088 -6.252 0.50 37.16 ? 75 THR H CB 1 ATOM 457 C CB B THR A 1 61 ? 48.480 -22.184 -6.308 0.50 37.24 ? 75 THR H CB 1 ATOM 458 O OG1 A THR A 1 61 ? 49.801 -22.225 -5.973 0.50 34.23 ? 75 THR H OG1 1 ATOM 459 O OG1 B THR A 1 61 ? 47.984 -23.465 -5.898 0.50 41.43 ? 75 THR H OG1 1 ATOM 460 C CG2 A THR A 1 61 ? 47.660 -23.295 -5.691 0.50 42.14 ? 75 THR H CG2 1 ATOM 461 C CG2 B THR A 1 61 ? 47.842 -21.097 -5.463 0.50 31.56 ? 75 THR H CG2 1 ATOM 462 N N . PRO A 1 62 ? 46.255 -23.205 -8.666 1.00 43.01 ? 76 PRO H N 1 ATOM 463 C CA . PRO A 1 62 ? 44.857 -23.292 -9.141 1.00 47.20 ? 76 PRO H CA 1 ATOM 464 C C . PRO A 1 62 ? 43.796 -22.863 -8.135 1.00 51.47 ? 76 PRO H C 1 ATOM 465 O O . PRO A 1 62 ? 42.834 -22.189 -8.524 1.00 46.37 ? 76 PRO H O 1 ATOM 466 C CB . PRO A 1 62 ? 44.722 -24.775 -9.506 1.00 47.14 ? 76 PRO H CB 1 ATOM 467 C CG . PRO A 1 62 ? 46.095 -25.173 -9.926 1.00 47.62 ? 76 PRO H CG 1 ATOM 468 C CD . PRO A 1 62 ? 47.051 -24.378 -9.068 1.00 45.41 ? 76 PRO H CD 1 ATOM 469 N N . SER A 1 63 ? 43.942 -23.221 -6.856 1.00 53.08 ? 77 SER H N 1 ATOM 470 C CA . SER A 1 63 ? 42.927 -22.871 -5.867 1.00 50.19 ? 77 SER H CA 1 ATOM 471 C C . SER A 1 63 ? 42.761 -21.364 -5.702 1.00 46.29 ? 77 SER H C 1 ATOM 472 O O . SER A 1 63 ? 41.724 -20.916 -5.203 1.00 51.69 ? 77 SER H O 1 ATOM 473 C CB . SER A 1 63 ? 43.271 -23.501 -4.518 1.00 51.65 ? 77 SER H CB 1 ATOM 474 O OG . SER A 1 63 ? 44.448 -22.922 -3.982 1.00 59.57 ? 77 SER H OG 1 ATOM 475 N N . LEU A 1 64 ? 43.748 -20.572 -6.113 1.00 39.78 ? 78 LEU H N 1 ATOM 476 C CA . LEU A 1 64 ? 43.714 -19.127 -5.949 1.00 38.05 ? 78 LEU H CA 1 ATOM 477 C C . LEU A 1 64 ? 43.561 -18.375 -7.262 1.00 45.89 ? 78 LEU H C 1 ATOM 478 O O . LEU A 1 64 ? 43.466 -17.144 -7.247 1.00 46.96 ? 78 LEU H O 1 ATOM 479 C CB . LEU A 1 64 ? 44.987 -18.650 -5.247 1.00 39.79 ? 78 LEU H CB 1 ATOM 480 C CG . LEU A 1 64 ? 45.120 -19.104 -3.803 1.00 49.31 ? 78 LEU H CG 1 ATOM 481 C CD1 . LEU A 1 64 ? 46.469 -18.678 -3.247 1.00 49.43 ? 78 LEU H CD1 1 ATOM 482 C CD2 . LEU A 1 64 ? 43.977 -18.505 -2.990 1.00 51.54 ? 78 LEU H CD2 1 ATOM 483 N N . LYS A 1 65 ? 43.534 -19.073 -8.395 1.00 39.00 ? 79 LYS H N 1 ATOM 484 C CA . LYS A 1 65 ? 43.596 -18.401 -9.690 1.00 43.05 ? 79 LYS H CA 1 ATOM 485 C C . LYS A 1 65 ? 42.365 -17.557 -9.992 1.00 51.14 ? 79 LYS H C 1 ATOM 486 O O . LYS A 1 65 ? 42.405 -16.764 -10.938 1.00 55.48 ? 79 LYS H O 1 ATOM 487 C CB . LYS A 1 65 ? 43.800 -19.427 -10.806 1.00 40.16 ? 79 LYS H CB 1 ATOM 488 C CG . LYS A 1 65 ? 42.565 -20.240 -11.121 1.00 51.98 ? 79 LYS H CG 1 ATOM 489 C CD . LYS A 1 65 ? 42.856 -21.329 -12.139 1.00 60.31 ? 79 LYS H CD 1 ATOM 490 C CE . LYS A 1 65 ? 41.602 -22.126 -12.441 1.00 68.56 ? 79 LYS H CE 1 ATOM 491 N NZ . LYS A 1 65 ? 40.526 -21.267 -13.017 1.00 73.84 ? 79 LYS H NZ 1 ATOM 492 N N . ASP A 1 66 ? 41.283 -17.697 -9.227 1.00 54.84 ? 80 ASP H N 1 ATOM 493 C CA . ASP A 1 66 ? 40.077 -16.912 -9.452 1.00 63.31 ? 80 ASP H CA 1 ATOM 494 C C . ASP A 1 66 ? 39.815 -15.894 -8.351 1.00 63.89 ? 80 ASP H C 1 ATOM 495 O O . ASP A 1 66 ? 38.882 -15.096 -8.476 1.00 70.04 ? 80 ASP H O 1 ATOM 496 C CB . ASP A 1 66 ? 38.862 -17.836 -9.607 1.00 70.18 ? 80 ASP H CB 1 ATOM 497 C CG . ASP A 1 66 ? 38.917 -18.671 -10.881 1.00 77.39 ? 80 ASP H CG 1 ATOM 498 O OD1 . ASP A 1 66 ? 39.252 -18.124 -11.958 1.00 66.19 ? 80 ASP H OD1 1 ATOM 499 O OD2 . ASP A 1 66 ? 38.625 -19.883 -10.806 1.00 85.26 ? 80 ASP H OD2 1 ATOM 500 N N . LYS A 1 67 ? 40.609 -15.898 -7.282 1.00 58.87 ? 81 LYS H N 1 ATOM 501 C CA . LYS A 1 67 ? 40.496 -14.937 -6.192 1.00 52.14 ? 81 LYS H CA 1 ATOM 502 C C . LYS A 1 67 ? 41.552 -13.847 -6.254 1.00 47.55 ? 81 LYS H C 1 ATOM 503 O O . LYS A 1 67 ? 41.267 -12.691 -5.924 1.00 54.48 ? 81 LYS H O 1 ATOM 504 C CB . LYS A 1 67 ? 40.626 -15.645 -4.842 1.00 55.52 ? 81 LYS H CB 1 ATOM 505 C CG . LYS A 1 67 ? 39.692 -16.807 -4.656 1.00 63.11 ? 81 LYS H CG 1 ATOM 506 C CD . LYS A 1 67 ? 40.064 -17.591 -3.416 1.00 56.90 ? 81 LYS H CD 1 ATOM 507 C CE . LYS A 1 67 ? 39.971 -16.739 -2.167 1.00 49.31 ? 81 LYS H CE 1 ATOM 508 N NZ . LYS A 1 67 ? 39.609 -17.600 -1.016 1.00 50.77 ? 81 LYS H NZ 1 ATOM 509 N N . PHE A 1 68 ? 42.770 -14.202 -6.648 1.00 35.30 ? 82 PHE H N 1 ATOM 510 C CA . PHE A 1 68 ? 43.931 -13.329 -6.573 1.00 34.03 ? 82 PHE H CA 1 ATOM 511 C C . PHE A 1 68 ? 44.375 -12.918 -7.972 1.00 38.85 ? 82 PHE H C 1 ATOM 512 O O . PHE A 1 68 ? 44.264 -13.690 -8.926 1.00 35.80 ? 82 PHE H O 1 ATOM 513 C CB . PHE A 1 68 ? 45.093 -14.023 -5.856 1.00 29.58 ? 82 PHE H CB 1 ATOM 514 C CG . PHE A 1 68 ? 44.864 -14.223 -4.380 1.00 39.82 ? 82 PHE H CG 1 ATOM 515 C CD1 . PHE A 1 68 ? 43.659 -13.864 -3.793 1.00 48.61 ? 82 PHE H CD1 1 ATOM 516 C CD2 . PHE A 1 68 ? 45.856 -14.747 -3.583 1.00 42.72 ? 82 PHE H CD2 1 ATOM 517 C CE1 . PHE A 1 68 ? 43.445 -14.041 -2.444 1.00 49.94 ? 82 PHE H CE1 1 ATOM 518 C CE2 . PHE A 1 68 ? 45.650 -14.916 -2.222 1.00 35.74 ? 82 PHE H CE2 1 ATOM 519 C CZ . PHE A 1 68 ? 44.445 -14.571 -1.660 1.00 37.23 ? 82 PHE H CZ 1 ATOM 520 N N . ILE A 1 69 ? 44.882 -11.692 -8.082 1.00 32.90 ? 83 ILE H N 1 ATOM 521 C CA . ILE A 1 69 ? 45.468 -11.185 -9.318 1.00 31.77 ? 83 ILE H CA 1 ATOM 522 C C . ILE A 1 69 ? 46.817 -10.577 -8.972 1.00 36.87 ? 83 ILE H C 1 ATOM 523 O O . ILE A 1 69 ? 46.917 -9.774 -8.037 1.00 32.54 ? 83 ILE H O 1 ATOM 524 C CB . ILE A 1 69 ? 44.574 -10.136 -10.000 1.00 30.52 ? 83 ILE H CB 1 ATOM 525 C CG1 . ILE A 1 69 ? 43.240 -10.749 -10.428 1.00 33.10 ? 83 ILE H CG1 1 ATOM 526 C CG2 . ILE A 1 69 ? 45.300 -9.511 -11.198 1.00 30.77 ? 83 ILE H CG2 1 ATOM 527 C CD1 . ILE A 1 69 ? 42.200 -9.731 -10.761 1.00 40.36 ? 83 ILE H CD1 1 ATOM 528 N N . ILE A 1 70 ? 47.848 -10.961 -9.713 1.00 34.48 ? 84 ILE H N 1 ATOM 529 C CA . ILE A 1 70 ? 49.189 -10.415 -9.542 1.00 31.53 ? 84 ILE H CA 1 ATOM 530 C C . ILE A 1 70 ? 49.451 -9.411 -10.654 1.00 32.04 ? 84 ILE H C 1 ATOM 531 O O . ILE A 1 70 ? 49.047 -9.625 -11.804 1.00 30.96 ? 84 ILE H O 1 ATOM 532 C CB . ILE A 1 70 ? 50.247 -11.535 -9.533 1.00 31.33 ? 84 ILE H CB 1 ATOM 533 C CG1 . ILE A 1 70 ? 50.042 -12.440 -8.310 1.00 28.68 ? 84 ILE H CG1 1 ATOM 534 C CG2 . ILE A 1 70 ? 51.651 -10.940 -9.493 1.00 30.78 ? 84 ILE H CG2 1 ATOM 535 C CD1 . ILE A 1 70 ? 50.877 -13.714 -8.341 1.00 29.74 ? 84 ILE H CD1 1 ATOM 536 N N . SER A 1 71 ? 50.108 -8.303 -10.310 1.00 31.72 ? 85 SER H N 1 ATOM 537 C CA . SER A 1 71 ? 50.491 -7.286 -11.281 1.00 31.54 ? 85 SER H CA 1 ATOM 538 C C . SER A 1 71 ? 51.754 -6.605 -10.776 1.00 34.47 ? 85 SER H C 1 ATOM 539 O O . SER A 1 71 ? 52.160 -6.777 -9.619 1.00 30.40 ? 85 SER H O 1 ATOM 540 C CB . SER A 1 71 ? 49.369 -6.262 -11.511 1.00 33.80 ? 85 SER H CB 1 ATOM 541 O OG . SER A 1 71 ? 49.139 -5.497 -10.327 1.00 32.16 ? 85 SER H OG 1 ATOM 542 N N . ARG A 1 72 ? 52.374 -5.819 -11.652 1.00 33.26 ? 86 ARG H N 1 ATOM 543 C CA . ARG A 1 72 ? 53.603 -5.127 -11.293 1.00 31.60 ? 86 ARG H CA 1 ATOM 544 C C . ARG A 1 72 ? 53.690 -3.824 -12.076 1.00 40.15 ? 86 ARG H C 1 ATOM 545 O O . ARG A 1 72 ? 53.117 -3.693 -13.162 1.00 40.04 ? 86 ARG H O 1 ATOM 546 C CB . ARG A 1 72 ? 54.832 -6.003 -11.566 1.00 31.36 ? 86 ARG H CB 1 ATOM 547 C CG . ARG A 1 72 ? 55.024 -6.334 -13.055 1.00 31.13 ? 86 ARG H CG 1 ATOM 548 C CD . ARG A 1 72 ? 56.095 -7.409 -13.257 1.00 32.73 ? 86 ARG H CD 1 ATOM 549 N NE . ARG A 1 72 ? 57.427 -6.895 -12.957 1.00 32.09 ? 86 ARG H NE 1 ATOM 550 C CZ . ARG A 1 72 ? 58.482 -7.649 -12.662 1.00 30.27 ? 86 ARG H CZ 1 ATOM 551 N NH1 . ARG A 1 72 ? 59.645 -7.069 -12.397 1.00 34.24 ? 86 ARG H NH1 1 ATOM 552 N NH2 . ARG A 1 72 ? 58.382 -8.977 -12.621 1.00 27.87 ? 86 ARG H NH2 1 ATOM 553 N N . ASP A 1 73 ? 54.421 -2.861 -11.511 1.00 29.12 ? 87 ASP H N 1 ATOM 554 C CA . ASP A 1 73 ? 54.643 -1.546 -12.113 1.00 31.51 ? 87 ASP H CA 1 ATOM 555 C C . ASP A 1 73 ? 56.151 -1.315 -12.158 1.00 46.21 ? 87 ASP H C 1 ATOM 556 O O . ASP A 1 73 ? 56.735 -0.828 -11.187 1.00 38.92 ? 87 ASP H O 1 ATOM 557 C CB . ASP A 1 73 ? 53.917 -0.450 -11.323 1.00 39.30 ? 87 ASP H CB 1 ATOM 558 C CG . ASP A 1 73 ? 53.950 0.901 -12.022 1.00 40.28 ? 87 ASP H CG 1 ATOM 559 O OD1 . ASP A 1 73 ? 54.742 1.066 -12.979 1.00 45.25 ? 87 ASP H OD1 1 ATOM 560 O OD2 . ASP A 1 73 ? 53.192 1.809 -11.606 1.00 42.45 ? 87 ASP H OD2 1 ATOM 561 N N . ASN A 1 74 ? 56.783 -1.636 -13.292 1.00 34.40 ? 88 ASN H N 1 ATOM 562 C CA . ASN A 1 74 ? 58.237 -1.519 -13.358 1.00 35.23 ? 88 ASN H CA 1 ATOM 563 C C . ASN A 1 74 ? 58.697 -0.075 -13.222 1.00 39.82 ? 88 ASN H C 1 ATOM 564 O O . ASN A 1 74 ? 59.788 0.178 -12.694 1.00 40.96 ? 88 ASN H O 1 ATOM 565 C CB . ASN A 1 74 ? 58.764 -2.117 -14.662 1.00 35.11 ? 88 ASN H CB 1 ATOM 566 C CG . ASN A 1 74 ? 58.650 -3.625 -14.699 1.00 38.90 ? 88 ASN H CG 1 ATOM 567 O OD1 . ASN A 1 74 ? 58.382 -4.266 -13.685 1.00 38.48 ? 88 ASN H OD1 1 ATOM 568 N ND2 . ASN A 1 74 ? 58.876 -4.204 -15.872 1.00 38.61 ? 88 ASN H ND2 1 ATOM 569 N N . ALA A 1 75 ? 57.887 0.880 -13.689 1.00 34.59 ? 89 ALA H N 1 ATOM 570 C CA . ALA A 1 75 ? 58.249 2.280 -13.548 1.00 36.61 ? 89 ALA H CA 1 ATOM 571 C C . ALA A 1 75 ? 58.302 2.697 -12.081 1.00 36.25 ? 89 ALA H C 1 ATOM 572 O O . ALA A 1 75 ? 59.071 3.595 -11.726 1.00 39.41 ? 89 ALA H O 1 ATOM 573 C CB . ALA A 1 75 ? 57.259 3.161 -14.308 1.00 40.38 ? 89 ALA H CB 1 ATOM 574 N N . LYS A 1 76 ? 57.490 2.075 -11.227 1.00 34.59 ? 90 LYS H N 1 ATOM 575 C CA . LYS A 1 76 ? 57.445 2.415 -9.807 1.00 35.71 ? 90 LYS H CA 1 ATOM 576 C C . LYS A 1 76 ? 58.082 1.363 -8.910 1.00 32.89 ? 90 LYS H C 1 ATOM 577 O O . LYS A 1 76 ? 58.010 1.500 -7.675 1.00 32.45 ? 90 LYS H O 1 ATOM 578 C CB . LYS A 1 76 ? 55.998 2.657 -9.359 1.00 36.02 ? 90 LYS H CB 1 ATOM 579 C CG . LYS A 1 76 ? 55.298 3.821 -10.061 1.00 42.49 ? 90 LYS H CG 1 ATOM 580 C CD . LYS A 1 76 ? 56.159 5.072 -10.097 1.00 53.72 ? 90 LYS H CD 1 ATOM 581 C CE . LYS A 1 76 ? 56.237 5.738 -8.733 1.00 53.73 ? 90 LYS H CE 1 ATOM 582 N NZ . LYS A 1 76 ? 54.877 6.025 -8.200 1.00 58.96 ? 90 LYS H NZ 1 ATOM 583 N N . ASN A 1 77 ? 58.696 0.324 -9.478 1.00 31.23 ? 91 ASN H N 1 ATOM 584 C CA . ASN A 1 77 ? 59.414 -0.700 -8.703 1.00 36.82 ? 91 ASN H CA 1 ATOM 585 C C . ASN A 1 77 ? 58.522 -1.347 -7.645 1.00 36.45 ? 91 ASN H C 1 ATOM 586 O O . ASN A 1 77 ? 58.951 -1.602 -6.518 1.00 33.56 ? 91 ASN H O 1 ATOM 587 C CB . ASN A 1 77 ? 60.672 -0.118 -8.053 1.00 36.11 ? 91 ASN H CB 1 ATOM 588 C CG . ASN A 1 77 ? 61.700 0.319 -9.075 1.00 46.95 ? 91 ASN H CG 1 ATOM 589 O OD1 . ASN A 1 77 ? 61.923 -0.360 -10.076 1.00 50.60 ? 91 ASN H OD1 1 ATOM 590 N ND2 . ASN A 1 77 ? 62.309 1.477 -8.845 1.00 49.23 ? 91 ASN H ND2 1 ATOM 591 N N . THR A 1 78 ? 57.274 -1.630 -8.008 1.00 30.88 ? 92 THR H N 1 ATOM 592 C CA . THR A 1 78 ? 56.298 -2.143 -7.055 1.00 29.25 ? 92 THR H CA 1 ATOM 593 C C . THR A 1 78 ? 55.626 -3.378 -7.636 1.00 33.48 ? 92 THR H C 1 ATOM 594 O O . THR A 1 78 ? 55.296 -3.420 -8.827 1.00 32.29 ? 92 THR H O 1 ATOM 595 C CB . THR A 1 78 ? 55.231 -1.084 -6.686 1.00 31.25 ? 92 THR H CB 1 ATOM 596 O OG1 . THR A 1 78 ? 55.866 0.120 -6.235 1.00 33.73 ? 92 THR H OG1 1 ATOM 597 C CG2 . THR A 1 78 ? 54.354 -1.576 -5.551 1.00 31.59 ? 92 THR H CG2 1 ATOM 598 N N . LEU A 1 79 ? 55.450 -4.388 -6.792 1.00 31.02 ? 93 LEU H N 1 ATOM 599 C CA . LEU A 1 79 ? 54.684 -5.587 -7.103 1.00 27.69 ? 93 LEU H CA 1 ATOM 600 C C . LEU A 1 79 ? 53.389 -5.546 -6.302 1.00 32.91 ? 93 LEU H C 1 ATOM 601 O O . LEU A 1 79 ? 53.364 -5.034 -5.181 1.00 30.42 ? 93 LEU H O 1 ATOM 602 C CB . LEU A 1 79 ? 55.488 -6.845 -6.760 1.00 29.33 ? 93 LEU H CB 1 ATOM 603 C CG . LEU A 1 79 ? 54.811 -8.214 -6.864 1.00 28.21 ? 93 LEU H CG 1 ATOM 604 C CD1 . LEU A 1 79 ? 54.669 -8.665 -8.328 1.00 28.82 ? 93 LEU H CD1 1 ATOM 605 C CD2 . LEU A 1 79 ? 55.570 -9.244 -6.062 1.00 27.30 ? 93 LEU H CD2 1 ATOM 606 N N . TYR A 1 80 ? 52.307 -6.072 -6.874 1.00 31.96 ? 94 TYR H N 1 ATOM 607 C CA . TYR A 1 80 ? 51.001 -5.995 -6.229 1.00 30.85 ? 94 TYR H CA 1 ATOM 608 C C . TYR A 1 80 ? 50.326 -7.360 -6.168 1.00 30.63 ? 94 TYR H C 1 ATOM 609 O O . TYR A 1 80 ? 50.527 -8.208 -7.038 1.00 29.70 ? 94 TYR H O 1 ATOM 610 C CB . TYR A 1 80 ? 50.076 -5.030 -6.963 1.00 30.04 ? 94 TYR H CB 1 ATOM 611 C CG . TYR A 1 80 ? 50.568 -3.607 -7.024 1.00 33.45 ? 94 TYR H CG 1 ATOM 612 C CD1 . TYR A 1 80 ? 50.511 -2.786 -5.904 1.00 33.00 ? 94 TYR H CD1 1 ATOM 613 C CD2 . TYR A 1 80 ? 51.074 -3.075 -8.204 1.00 33.72 ? 94 TYR H CD2 1 ATOM 614 C CE1 . TYR A 1 80 ? 50.937 -1.474 -5.955 1.00 34.82 ? 94 TYR H CE1 1 ATOM 615 C CE2 . TYR A 1 80 ? 51.508 -1.753 -8.267 1.00 35.73 ? 94 TYR H CE2 1 ATOM 616 C CZ . TYR A 1 80 ? 51.441 -0.962 -7.135 1.00 34.52 ? 94 TYR H CZ 1 ATOM 617 O OH . TYR A 1 80 ? 51.867 0.348 -7.160 1.00 40.40 ? 94 TYR H OH 1 ATOM 618 N N . LEU A 1 81 ? 49.504 -7.554 -5.134 1.00 31.63 ? 95 LEU H N 1 ATOM 619 C CA . LEU A 1 81 ? 48.625 -8.717 -5.027 1.00 30.67 ? 95 LEU H CA 1 ATOM 620 C C . LEU A 1 81 ? 47.218 -8.218 -4.732 1.00 37.47 ? 95 LEU H C 1 ATOM 621 O O . LEU A 1 81 ? 46.975 -7.624 -3.671 1.00 36.24 ? 95 LEU H O 1 ATOM 622 C CB . LEU A 1 81 ? 49.089 -9.692 -3.932 1.00 30.23 ? 95 LEU H CB 1 ATOM 623 C CG . LEU A 1 81 ? 48.301 -11.009 -3.812 1.00 30.80 ? 95 LEU H CG 1 ATOM 624 C CD1 . LEU A 1 81 ? 48.495 -11.889 -5.041 1.00 29.26 ? 95 LEU H CD1 1 ATOM 625 C CD2 . LEU A 1 81 ? 48.669 -11.799 -2.549 1.00 27.70 ? 95 LEU H CD2 1 ATOM 626 N N . GLN A 1 82 ? 46.299 -8.449 -5.671 1.00 29.46 ? 96 GLN H N 1 ATOM 627 C CA . GLN A 1 82 ? 44.895 -8.075 -5.508 1.00 32.85 ? 96 GLN H CA 1 ATOM 628 C C . GLN A 1 82 ? 44.136 -9.274 -4.957 1.00 36.55 ? 96 GLN H C 1 ATOM 629 O O . GLN A 1 82 ? 43.936 -10.263 -5.663 1.00 40.02 ? 96 GLN H O 1 ATOM 630 C CB . GLN A 1 82 ? 44.285 -7.629 -6.834 1.00 32.13 ? 96 GLN H CB 1 ATOM 631 C CG . GLN A 1 82 ? 44.856 -6.349 -7.403 1.00 36.89 ? 96 GLN H CG 1 ATOM 632 C CD . GLN A 1 82 ? 44.533 -6.186 -8.883 1.00 39.10 ? 96 GLN H CD 1 ATOM 633 O OE1 . GLN A 1 82 ? 45.437 -6.070 -9.709 1.00 44.23 ? 96 GLN H OE1 1 ATOM 634 N NE2 . GLN A 1 82 ? 43.244 -6.189 -9.226 1.00 38.62 ? 96 GLN H NE2 1 ATOM 635 N N . MET A 1 83 ? 43.703 -9.185 -3.703 1.00 34.08 ? 97 MET H N 1 ATOM 636 C CA . MET A 1 83 ? 42.932 -10.250 -3.084 1.00 36.77 ? 97 MET H CA 1 ATOM 637 C C . MET A 1 83 ? 41.453 -9.900 -3.147 1.00 37.93 ? 97 MET H C 1 ATOM 638 O O . MET A 1 83 ? 41.067 -8.754 -2.901 1.00 40.79 ? 97 MET H O 1 ATOM 639 C CB . MET A 1 83 ? 43.360 -10.458 -1.630 1.00 33.67 ? 97 MET H CB 1 ATOM 640 C CG . MET A 1 83 ? 44.875 -10.458 -1.415 1.00 33.97 ? 97 MET H CG 1 ATOM 641 S SD . MET A 1 83 ? 45.321 -10.490 0.350 1.00 39.97 ? 97 MET H SD 1 ATOM 642 C CE . MET A 1 83 ? 44.421 -11.939 0.897 1.00 37.36 ? 97 MET H CE 1 ATOM 643 N N . SER A 1 84 ? 40.628 -10.881 -3.494 1.00 34.01 ? 98 SER H N 1 ATOM 644 C CA . SER A 1 84 ? 39.188 -10.677 -3.522 1.00 40.44 ? 98 SER H CA 1 ATOM 645 C C . SER A 1 84 ? 38.509 -11.950 -3.048 1.00 40.56 ? 98 SER H C 1 ATOM 646 O O . SER A 1 84 ? 39.126 -13.018 -2.984 1.00 42.36 ? 98 SER H O 1 ATOM 647 C CB . SER A 1 84 ? 38.698 -10.283 -4.920 1.00 42.46 ? 98 SER H CB 1 ATOM 648 O OG . SER A 1 84 ? 38.720 -11.400 -5.781 1.00 49.64 ? 98 SER H OG 1 ATOM 649 N N . LYS A 1 85 ? 37.227 -11.815 -2.695 1.00 45.79 ? 99 LYS H N 1 ATOM 650 C CA . LYS A 1 85 ? 36.403 -12.919 -2.196 1.00 37.05 ? 99 LYS H CA 1 ATOM 651 C C . LYS A 1 85 ? 37.128 -13.715 -1.108 1.00 38.34 ? 99 LYS H C 1 ATOM 652 O O . LYS A 1 85 ? 37.138 -14.947 -1.102 1.00 43.93 ? 99 LYS H O 1 ATOM 653 C CB . LYS A 1 85 ? 35.968 -13.825 -3.351 1.00 49.04 ? 99 LYS H CB 1 ATOM 654 C CG . LYS A 1 85 ? 35.030 -13.135 -4.334 1.00 51.54 ? 99 LYS H CG 1 ATOM 655 C CD . LYS A 1 85 ? 34.828 -13.946 -5.608 1.00 70.79 ? 99 LYS H CD 1 ATOM 656 C CE . LYS A 1 85 ? 36.100 -13.973 -6.447 1.00 76.92 ? 99 LYS H CE 1 ATOM 657 N NZ . LYS A 1 85 ? 35.900 -14.638 -7.767 1.00 80.47 ? 99 LYS H NZ 1 ATOM 658 N N . VAL A 1 86 ? 37.740 -12.996 -0.163 1.00 34.32 ? 100 VAL H N 1 ATOM 659 C CA . VAL A 1 86 ? 38.619 -13.674 0.787 1.00 40.01 ? 100 VAL H CA 1 ATOM 660 C C . VAL A 1 86 ? 37.794 -14.461 1.802 1.00 36.51 ? 100 VAL H C 1 ATOM 661 O O . VAL A 1 86 ? 36.616 -14.180 2.058 1.00 42.13 ? 100 VAL H O 1 ATOM 662 C CB . VAL A 1 86 ? 39.571 -12.687 1.484 1.00 40.23 ? 100 VAL H CB 1 ATOM 663 C CG1 . VAL A 1 86 ? 40.474 -12.014 0.453 1.00 38.83 ? 100 VAL H CG1 1 ATOM 664 C CG2 . VAL A 1 86 ? 38.788 -11.655 2.323 1.00 38.84 ? 100 VAL H CG2 1 ATOM 665 N N . SER A 1 87 ? 38.427 -15.480 2.376 1.00 41.81 ? 101 SER H N 1 ATOM 666 C CA . SER A 1 87 ? 37.807 -16.326 3.386 1.00 45.22 ? 101 SER H CA 1 ATOM 667 C C . SER A 1 87 ? 38.825 -16.596 4.484 1.00 38.53 ? 101 SER H C 1 ATOM 668 O O . SER A 1 87 ? 39.977 -16.159 4.413 1.00 35.45 ? 101 SER H O 1 ATOM 669 C CB . SER A 1 87 ? 37.287 -17.629 2.772 1.00 47.01 ? 101 SER H CB 1 ATOM 670 O OG . SER A 1 87 ? 38.359 -18.396 2.265 1.00 54.72 ? 101 SER H OG 1 ATOM 671 N N . SER A 1 88 ? 38.394 -17.335 5.510 1.00 45.30 ? 102 SER H N 1 ATOM 672 C CA . SER A 1 88 ? 39.235 -17.513 6.693 1.00 48.94 ? 102 SER H CA 1 ATOM 673 C C . SER A 1 88 ? 40.559 -18.192 6.358 1.00 43.19 ? 102 SER H C 1 ATOM 674 O O . SER A 1 88 ? 41.575 -17.923 7.010 1.00 42.92 ? 102 SER H O 1 ATOM 675 C CB . SER A 1 88 ? 38.484 -18.311 7.760 1.00 53.50 ? 102 SER H CB 1 ATOM 676 O OG . SER A 1 88 ? 38.240 -19.635 7.322 1.00 63.02 ? 102 SER H OG 1 ATOM 677 N N . GLU A 1 89 ? 40.578 -19.062 5.346 1.00 44.81 ? 103 GLU H N 1 ATOM 678 C CA . GLU A 1 89 ? 41.833 -19.708 4.976 1.00 46.64 ? 103 GLU H CA 1 ATOM 679 C C . GLU A 1 89 ? 42.801 -18.768 4.269 1.00 38.52 ? 103 GLU H C 1 ATOM 680 O O . GLU A 1 89 ? 43.925 -19.181 3.958 1.00 44.06 ? 103 GLU H O 1 ATOM 681 C CB . GLU A 1 89 ? 41.571 -20.931 4.094 1.00 57.05 ? 103 GLU H CB 1 ATOM 682 C CG . GLU A 1 89 ? 40.864 -20.630 2.797 1.00 67.73 ? 103 GLU H CG 1 ATOM 683 C CD . GLU A 1 89 ? 39.423 -21.094 2.809 1.00 82.79 ? 103 GLU H CD 1 ATOM 684 O OE1 . GLU A 1 89 ? 38.809 -21.106 3.902 1.00 78.11 ? 103 GLU H OE1 1 ATOM 685 O OE2 . GLU A 1 89 ? 38.908 -21.447 1.725 1.00 90.85 ? 103 GLU H OE2 1 ATOM 686 N N . ASP A 1 90 ? 42.406 -17.531 3.996 1.00 33.54 ? 104 ASP H N 1 ATOM 687 C CA . ASP A 1 90 ? 43.335 -16.552 3.460 1.00 32.15 ? 104 ASP H CA 1 ATOM 688 C C . ASP A 1 90 ? 44.025 -15.758 4.560 1.00 35.88 ? 104 ASP H C 1 ATOM 689 O O . ASP A 1 90 ? 44.919 -14.958 4.266 1.00 37.64 ? 104 ASP H O 1 ATOM 690 C CB . ASP A 1 90 ? 42.611 -15.617 2.487 1.00 30.78 ? 104 ASP H CB 1 ATOM 691 C CG . ASP A 1 90 ? 41.991 -16.370 1.313 1.00 40.06 ? 104 ASP H CG 1 ATOM 692 O OD1 . ASP A 1 90 ? 42.688 -17.228 0.725 1.00 40.65 ? 104 ASP H OD1 1 ATOM 693 O OD2 . ASP A 1 90 ? 40.807 -16.118 0.989 1.00 38.21 ? 104 ASP H OD2 1 ATOM 694 N N . THR A 1 91 ? 43.645 -15.970 5.820 1.00 34.63 ? 105 THR H N 1 ATOM 695 C CA . THR A 1 91 ? 44.389 -15.375 6.918 1.00 30.99 ? 105 THR H CA 1 ATOM 696 C C . THR A 1 91 ? 45.798 -15.948 6.935 1.00 30.59 ? 105 THR H C 1 ATOM 697 O O . THR A 1 91 ? 45.975 -17.168 7.026 1.00 38.53 ? 105 THR H O 1 ATOM 698 C CB . THR A 1 91 ? 43.671 -15.638 8.246 1.00 28.64 ? 105 THR H CB 1 ATOM 699 O OG1 . THR A 1 91 ? 42.423 -14.932 8.252 1.00 31.06 ? 105 THR H OG1 1 ATOM 700 C CG2 . THR A 1 91 ? 44.533 -15.172 9.418 1.00 34.24 ? 105 THR H CG2 1 ATOM 701 N N . ALA A 1 92 ? 46.801 -15.072 6.827 1.00 31.38 ? 106 ALA H N 1 ATOM 702 C CA . ALA A 1 92 ? 48.193 -15.503 6.715 1.00 29.86 ? 106 ALA H CA 1 ATOM 703 C C . ALA A 1 92 ? 49.116 -14.291 6.728 1.00 28.70 ? 106 ALA H C 1 ATOM 704 O O . ALA A 1 92 ? 48.681 -13.142 6.611 1.00 34.87 ? 106 ALA H O 1 ATOM 705 C CB . ALA A 1 92 ? 48.445 -16.312 5.435 1.00 30.28 ? 106 ALA H CB 1 ATOM 706 N N . LEU A 1 93 ? 50.406 -14.574 6.878 1.00 30.52 ? 107 LEU H N 1 ATOM 707 C CA . LEU A 1 93 ? 51.464 -13.621 6.572 1.00 27.24 ? 107 LEU H CA 1 ATOM 708 C C . LEU A 1 93 ? 51.786 -13.766 5.088 1.00 30.61 ? 107 LEU H C 1 ATOM 709 O O . LEU A 1 93 ? 52.086 -14.869 4.632 1.00 28.35 ? 107 LEU H O 1 ATOM 710 C CB . LEU A 1 93 ? 52.710 -13.898 7.416 1.00 27.62 ? 107 LEU H CB 1 ATOM 711 C CG . LEU A 1 93 ? 53.736 -12.762 7.486 1.00 48.06 ? 107 LEU H CG 1 ATOM 712 C CD1 . LEU A 1 93 ? 53.096 -11.503 8.056 1.00 49.49 ? 107 LEU H CD1 1 ATOM 713 C CD2 . LEU A 1 93 ? 54.934 -13.152 8.328 1.00 53.25 ? 107 LEU H CD2 1 ATOM 714 N N . TYR A 1 94 ? 51.718 -12.666 4.343 1.00 26.71 ? 108 TYR H N 1 ATOM 715 C CA . TYR A 1 94 ? 51.937 -12.677 2.901 1.00 25.89 ? 108 TYR H CA 1 ATOM 716 C C . TYR A 1 94 ? 53.319 -12.126 2.588 1.00 28.90 ? 108 TYR H C 1 ATOM 717 O O . TYR A 1 94 ? 53.677 -11.037 3.058 1.00 28.29 ? 108 TYR H O 1 ATOM 718 C CB . TYR A 1 94 ? 50.857 -11.864 2.186 1.00 29.02 ? 108 TYR H CB 1 ATOM 719 C CG . TYR A 1 94 ? 49.556 -12.616 2.107 1.00 30.05 ? 108 TYR H CG 1 ATOM 720 C CD1 . TYR A 1 94 ? 48.750 -12.761 3.237 1.00 31.32 ? 108 TYR H CD1 1 ATOM 721 C CD2 . TYR A 1 94 ? 49.142 -13.209 0.914 1.00 27.31 ? 108 TYR H CD2 1 ATOM 722 C CE1 . TYR A 1 94 ? 47.560 -13.466 3.179 1.00 29.71 ? 108 TYR H CE1 1 ATOM 723 C CE2 . TYR A 1 94 ? 47.951 -13.913 0.838 1.00 31.28 ? 108 TYR H CE2 1 ATOM 724 C CZ . TYR A 1 94 ? 47.173 -14.055 1.979 1.00 27.83 ? 108 TYR H CZ 1 ATOM 725 O OH . TYR A 1 94 ? 45.989 -14.756 1.907 1.00 32.15 ? 108 TYR H OH 1 ATOM 726 N N . TYR A 1 95 ? 54.083 -12.872 1.785 1.00 29.53 ? 109 TYR H N 1 ATOM 727 C CA . TYR A 1 95 ? 55.449 -12.510 1.431 1.00 25.72 ? 109 TYR H CA 1 ATOM 728 C C . TYR A 1 95 ? 55.570 -12.249 -0.055 1.00 26.67 ? 109 TYR H C 1 ATOM 729 O O . TYR A 1 95 ? 55.050 -13.005 -0.882 1.00 28.70 ? 109 TYR H O 1 ATOM 730 C CB . TYR A 1 95 ? 56.464 -13.612 1.745 1.00 25.88 ? 109 TYR H CB 1 ATOM 731 C CG . TYR A 1 95 ? 56.546 -14.028 3.182 1.00 26.17 ? 109 TYR H CG 1 ATOM 732 C CD1 . TYR A 1 95 ? 57.381 -13.362 4.067 1.00 25.36 ? 109 TYR H CD1 1 ATOM 733 C CD2 . TYR A 1 95 ? 55.819 -15.114 3.640 1.00 31.86 ? 109 TYR H CD2 1 ATOM 734 C CE1 . TYR A 1 95 ? 57.466 -13.763 5.398 1.00 28.03 ? 109 TYR H CE1 1 ATOM 735 C CE2 . TYR A 1 95 ? 55.894 -15.516 4.960 1.00 32.08 ? 109 TYR H CE2 1 ATOM 736 C CZ . TYR A 1 95 ? 56.720 -14.844 5.825 1.00 36.98 ? 109 TYR H CZ 1 ATOM 737 O OH . TYR A 1 95 ? 56.792 -15.255 7.137 1.00 39.38 ? 109 TYR H OH 1 ATOM 738 N N . CYS A 1 96 ? 56.300 -11.207 -0.387 1.00 24.24 ? 110 CYS H N 1 ATOM 739 C CA A CYS A 1 96 ? 56.749 -11.065 -1.764 0.50 24.21 ? 110 CYS H CA 1 ATOM 740 C CA B CYS A 1 96 ? 56.778 -10.972 -1.738 0.50 25.36 ? 110 CYS H CA 1 ATOM 741 C C . CYS A 1 96 ? 58.196 -11.525 -1.866 1.00 29.05 ? 110 CYS H C 1 ATOM 742 O O . CYS A 1 96 ? 58.974 -11.451 -0.915 1.00 26.98 ? 110 CYS H O 1 ATOM 743 C CB A CYS A 1 96 ? 56.597 -9.633 -2.284 0.50 32.00 ? 110 CYS H CB 1 ATOM 744 C CB B CYS A 1 96 ? 56.733 -9.470 -1.983 0.50 31.16 ? 110 CYS H CB 1 ATOM 745 S SG A CYS A 1 96 ? 57.643 -8.377 -1.538 0.50 26.09 ? 110 CYS H SG 1 ATOM 746 S SG B CYS A 1 96 ? 57.551 -8.810 -3.385 0.50 41.41 ? 110 CYS H SG 1 ATOM 747 N N . ALA A 1 97 ? 58.544 -12.063 -3.036 1.00 26.37 ? 111 ALA H N 1 ATOM 748 C CA . ALA A 1 97 ? 59.866 -12.654 -3.175 1.00 24.46 ? 111 ALA H CA 1 ATOM 749 C C . ALA A 1 97 ? 60.383 -12.470 -4.595 1.00 27.16 ? 111 ALA H C 1 ATOM 750 O O . ALA A 1 97 ? 59.636 -12.634 -5.560 1.00 31.38 ? 111 ALA H O 1 ATOM 751 C CB . ALA A 1 97 ? 59.859 -14.145 -2.833 1.00 28.45 ? 111 ALA H CB 1 ATOM 752 N N . ARG A 1 98 ? 61.672 -12.157 -4.701 1.00 26.13 ? 112 ARG H N 1 ATOM 753 C CA . ARG A 1 98 ? 62.356 -12.096 -5.992 1.00 27.55 ? 112 ARG H CA 1 ATOM 754 C C . ARG A 1 98 ? 62.812 -13.484 -6.420 1.00 32.56 ? 112 ARG H C 1 ATOM 755 O O . ARG A 1 98 ? 63.243 -14.291 -5.595 1.00 29.82 ? 112 ARG H O 1 ATOM 756 C CB . ARG A 1 98 ? 63.568 -11.173 -5.891 1.00 28.59 ? 112 ARG H CB 1 ATOM 757 C CG . ARG A 1 98 ? 64.186 -10.796 -7.232 1.00 30.53 ? 112 ARG H CG 1 ATOM 758 C CD . ARG A 1 98 ? 65.436 -9.951 -7.039 1.00 37.77 ? 112 ARG H CD 1 ATOM 759 N NE . ARG A 1 98 ? 66.581 -10.734 -6.581 1.00 31.75 ? 112 ARG H NE 1 ATOM 760 C CZ . ARG A 1 98 ? 67.820 -10.256 -6.504 1.00 38.04 ? 112 ARG H CZ 1 ATOM 761 N NH1 . ARG A 1 98 ? 68.063 -8.998 -6.846 1.00 38.86 ? 112 ARG H NH1 1 ATOM 762 N NH2 . ARG A 1 98 ? 68.815 -11.031 -6.094 1.00 38.41 ? 112 ARG H NH2 1 ATOM 763 N N . TYR A 1 99 ? 62.726 -13.768 -7.721 1.00 28.88 ? 113 TYR H N 1 ATOM 764 C CA . TYR A 1 99 ? 63.380 -14.945 -8.264 1.00 29.60 ? 113 TYR H CA 1 ATOM 765 C C . TYR A 1 99 ? 64.824 -14.598 -8.591 1.00 33.22 ? 113 TYR H C 1 ATOM 766 O O . TYR A 1 99 ? 65.104 -13.519 -9.115 1.00 35.26 ? 113 TYR H O 1 ATOM 767 C CB . TYR A 1 99 ? 62.694 -15.438 -9.545 1.00 30.86 ? 113 TYR H CB 1 ATOM 768 C CG . TYR A 1 99 ? 61.420 -16.226 -9.364 1.00 30.78 ? 113 TYR H CG 1 ATOM 769 C CD1 . TYR A 1 99 ? 60.889 -16.480 -8.095 1.00 32.53 ? 113 TYR H CD1 1 ATOM 770 C CD2 . TYR A 1 99 ? 60.759 -16.748 -10.470 1.00 35.33 ? 113 TYR H CD2 1 ATOM 771 C CE1 . TYR A 1 99 ? 59.720 -17.211 -7.950 1.00 30.33 ? 113 TYR H CE1 1 ATOM 772 C CE2 . TYR A 1 99 ? 59.598 -17.477 -10.336 1.00 34.38 ? 113 TYR H CE2 1 ATOM 773 C CZ . TYR A 1 99 ? 59.079 -17.705 -9.084 1.00 32.47 ? 113 TYR H CZ 1 ATOM 774 O OH . TYR A 1 99 ? 57.919 -18.443 -8.978 1.00 33.50 ? 113 TYR H OH 1 ATOM 775 N N . GLY A 1 100 ? 65.736 -15.525 -8.313 1.00 31.11 ? 114 GLY H N 1 ATOM 776 C CA . GLY A 1 100 ? 67.100 -15.347 -8.769 1.00 35.98 ? 114 GLY H CA 1 ATOM 777 C C . GLY A 1 100 ? 67.176 -15.220 -10.280 1.00 38.69 ? 114 GLY H C 1 ATOM 778 O O . GLY A 1 100 ? 66.269 -15.614 -11.009 1.00 35.04 ? 114 GLY H O 1 ATOM 779 N N . SER A 1 101 ? 68.277 -14.644 -10.753 1.00 38.41 ? 115 SER H N 1 ATOM 780 C CA . SER A 1 101 ? 68.481 -14.472 -12.192 1.00 45.16 ? 115 SER H CA 1 ATOM 781 C C . SER A 1 101 ? 68.472 -15.820 -12.904 1.00 45.97 ? 115 SER H C 1 ATOM 782 O O . SER A 1 101 ? 69.316 -16.678 -12.628 1.00 47.91 ? 115 SER H O 1 ATOM 783 C CB . SER A 1 101 ? 69.799 -13.747 -12.459 1.00 54.84 ? 115 SER H CB 1 ATOM 784 O OG . SER A 1 101 ? 69.710 -12.368 -12.147 1.00 64.00 ? 115 SER H OG 1 ATOM 785 N N . TYR A 1 102 ? 67.498 -16.009 -13.801 1.00 45.10 ? 116 TYR H N 1 ATOM 786 C CA . TYR A 1 102 ? 67.423 -17.186 -14.678 1.00 46.72 ? 116 TYR H CA 1 ATOM 787 C C . TYR A 1 102 ? 67.211 -18.488 -13.905 1.00 48.14 ? 116 TYR H C 1 ATOM 788 O O . TYR A 1 102 ? 67.625 -19.564 -14.348 1.00 53.13 ? 116 TYR H O 1 ATOM 789 C CB . TYR A 1 102 ? 68.666 -17.279 -15.576 1.00 53.85 ? 116 TYR H CB 1 ATOM 790 C CG . TYR A 1 102 ? 68.971 -15.950 -16.215 1.00 62.20 ? 116 TYR H CG 1 ATOM 791 C CD1 . TYR A 1 102 ? 68.137 -15.432 -17.200 1.00 72.69 ? 116 TYR H CD1 1 ATOM 792 C CD2 . TYR A 1 102 ? 70.061 -15.190 -15.806 1.00 62.43 ? 116 TYR H CD2 1 ATOM 793 C CE1 . TYR A 1 102 ? 68.389 -14.204 -17.776 1.00 76.38 ? 116 TYR H CE1 1 ATOM 794 C CE2 . TYR A 1 102 ? 70.324 -13.957 -16.379 1.00 68.30 ? 116 TYR H CE2 1 ATOM 795 C CZ . TYR A 1 102 ? 69.482 -13.470 -17.361 1.00 76.05 ? 116 TYR H CZ 1 ATOM 796 O OH . TYR A 1 102 ? 69.728 -12.245 -17.931 1.00 85.22 ? 116 TYR H OH 1 ATOM 797 N N . VAL A 1 103 ? 66.547 -18.408 -12.753 1.00 39.54 ? 117 VAL H N 1 ATOM 798 C CA . VAL A 1 103 ? 66.165 -19.582 -11.981 1.00 41.89 ? 117 VAL H CA 1 ATOM 799 C C . VAL A 1 103 ? 64.798 -19.304 -11.367 1.00 48.91 ? 117 VAL H C 1 ATOM 800 O O . VAL A 1 103 ? 64.436 -18.152 -11.117 1.00 48.65 ? 117 VAL H O 1 ATOM 801 C CB . VAL A 1 103 ? 67.221 -19.914 -10.895 1.00 52.32 ? 117 VAL H CB 1 ATOM 802 C CG1 . VAL A 1 103 ? 67.231 -18.840 -9.811 1.00 41.84 ? 117 VAL H CG1 1 ATOM 803 C CG2 . VAL A 1 103 ? 66.985 -21.303 -10.283 1.00 59.19 ? 117 VAL H CG2 1 ATOM 804 N N . TYR A 1 104 ? 64.011 -20.362 -11.167 1.00 35.00 ? 118 TYR H N 1 ATOM 805 C CA . TYR A 1 104 ? 62.705 -20.236 -10.518 1.00 33.40 ? 118 TYR H CA 1 ATOM 806 C C . TYR A 1 104 ? 62.804 -20.470 -9.022 1.00 43.45 ? 118 TYR H C 1 ATOM 807 O O . TYR A 1 104 ? 61.924 -21.092 -8.425 1.00 58.95 ? 118 TYR H O 1 ATOM 808 C CB . TYR A 1 104 ? 61.703 -21.204 -11.132 1.00 34.58 ? 118 TYR H CB 1 ATOM 809 C CG . TYR A 1 104 ? 61.293 -20.887 -12.559 1.00 41.06 ? 118 TYR H CG 1 ATOM 810 C CD1 . TYR A 1 104 ? 61.004 -19.586 -12.951 1.00 41.97 ? 118 TYR H CD1 1 ATOM 811 C CD2 . TYR A 1 104 ? 61.184 -21.895 -13.506 1.00 50.68 ? 118 TYR H CD2 1 ATOM 812 C CE1 . TYR A 1 104 ? 60.620 -19.296 -14.249 1.00 49.76 ? 118 TYR H CE1 1 ATOM 813 C CE2 . TYR A 1 104 ? 60.805 -21.616 -14.809 1.00 54.32 ? 118 TYR H CE2 1 ATOM 814 C CZ . TYR A 1 104 ? 60.525 -20.316 -15.176 1.00 55.62 ? 118 TYR H CZ 1 ATOM 815 O OH . TYR A 1 104 ? 60.141 -20.044 -16.469 1.00 57.89 ? 118 TYR H OH 1 ATOM 816 N N . ALA A 1 105 ? 63.889 -20.019 -8.408 1.00 33.07 ? 119 ALA H N 1 ATOM 817 C CA . ALA A 1 105 ? 64.089 -20.120 -6.967 1.00 29.86 ? 119 ALA H CA 1 ATOM 818 C C . ALA A 1 105 ? 63.952 -18.727 -6.374 1.00 31.21 ? 119 ALA H C 1 ATOM 819 O O . ALA A 1 105 ? 64.281 -17.729 -7.020 1.00 32.96 ? 119 ALA H O 1 ATOM 820 C CB . ALA A 1 105 ? 65.462 -20.718 -6.640 1.00 30.90 ? 119 ALA H CB 1 ATOM 821 N N . MET A 1 106 ? 63.439 -18.651 -5.146 1.00 27.84 ? 120 MET H N 1 ATOM 822 C CA . MET A 1 106 ? 63.113 -17.364 -4.541 1.00 28.90 ? 120 MET H CA 1 ATOM 823 C C . MET A 1 106 ? 64.302 -16.918 -3.696 1.00 34.44 ? 120 MET H C 1 ATOM 824 O O . MET A 1 106 ? 64.475 -17.366 -2.560 1.00 28.08 ? 120 MET H O 1 ATOM 825 C CB . MET A 1 106 ? 61.827 -17.485 -3.727 1.00 29.58 ? 120 MET H CB 1 ATOM 826 C CG . MET A 1 106 ? 60.613 -17.756 -4.632 1.00 31.81 ? 120 MET H CG 1 ATOM 827 S SD . MET A 1 106 ? 59.291 -18.688 -3.828 1.00 31.68 ? 120 MET H SD 1 ATOM 828 C CE . MET A 1 106 ? 58.464 -17.379 -2.936 1.00 32.71 ? 120 MET H CE 1 ATOM 829 N N . ASP A 1 107 ? 65.134 -16.030 -4.248 1.00 27.21 ? 121 ASP H N 1 ATOM 830 C CA . ASP A 1 107 ? 66.411 -15.733 -3.609 1.00 29.10 ? 121 ASP H CA 1 ATOM 831 C C . ASP A 1 107 ? 66.347 -14.548 -2.649 1.00 27.76 ? 121 ASP H C 1 ATOM 832 O O . ASP A 1 107 ? 67.317 -14.318 -1.914 1.00 28.36 ? 121 ASP H O 1 ATOM 833 C CB . ASP A 1 107 ? 67.517 -15.532 -4.673 1.00 29.60 ? 121 ASP H CB 1 ATOM 834 C CG . ASP A 1 107 ? 67.461 -14.165 -5.384 1.00 30.13 ? 121 ASP H CG 1 ATOM 835 O OD1 . ASP A 1 107 ? 66.407 -13.494 -5.403 1.00 31.62 ? 121 ASP H OD1 1 ATOM 836 O OD2 . ASP A 1 107 ? 68.505 -13.766 -5.953 1.00 35.60 ? 121 ASP H OD2 1 ATOM 837 N N . TYR A 1 108 ? 65.239 -13.808 -2.610 1.00 26.66 ? 122 TYR H N 1 ATOM 838 C CA . TYR A 1 108 ? 65.063 -12.787 -1.577 1.00 26.46 ? 122 TYR H CA 1 ATOM 839 C C . TYR A 1 108 ? 63.591 -12.649 -1.221 1.00 25.84 ? 122 TYR H C 1 ATOM 840 O O . TYR A 1 108 ? 62.755 -12.441 -2.104 1.00 27.88 ? 122 TYR H O 1 ATOM 841 C CB . TYR A 1 108 ? 65.622 -11.430 -2.009 1.00 27.63 ? 122 TYR H CB 1 ATOM 842 C CG . TYR A 1 108 ? 65.729 -10.468 -0.847 1.00 38.01 ? 122 TYR H CG 1 ATOM 843 C CD1 . TYR A 1 108 ? 64.648 -9.670 -0.468 1.00 36.78 ? 122 TYR H CD1 1 ATOM 844 C CD2 . TYR A 1 108 ? 66.903 -10.373 -0.113 1.00 47.44 ? 122 TYR H CD2 1 ATOM 845 C CE1 . TYR A 1 108 ? 64.745 -8.794 0.620 1.00 40.67 ? 122 TYR H CE1 1 ATOM 846 C CE2 . TYR A 1 108 ? 67.011 -9.501 0.966 1.00 50.63 ? 122 TYR H CE2 1 ATOM 847 C CZ . TYR A 1 108 ? 65.932 -8.718 1.327 1.00 46.72 ? 122 TYR H CZ 1 ATOM 848 O OH . TYR A 1 108 ? 66.053 -7.859 2.397 1.00 55.77 ? 122 TYR H OH 1 ATOM 849 N N . TRP A 1 109 ? 63.286 -12.747 0.081 1.00 24.86 ? 123 TRP H N 1 ATOM 850 C CA . TRP A 1 109 ? 61.928 -12.651 0.604 1.00 28.40 ? 123 TRP H CA 1 ATOM 851 C C . TRP A 1 109 ? 61.781 -11.408 1.468 1.00 26.56 ? 123 TRP H C 1 ATOM 852 O O . TRP A 1 109 ? 62.639 -11.125 2.316 1.00 27.46 ? 123 TRP H O 1 ATOM 853 C CB . TRP A 1 109 ? 61.566 -13.856 1.481 1.00 26.84 ? 123 TRP H CB 1 ATOM 854 C CG . TRP A 1 109 ? 61.590 -15.212 0.828 1.00 27.67 ? 123 TRP H CG 1 ATOM 855 C CD1 . TRP A 1 109 ? 62.629 -15.793 0.139 1.00 26.97 ? 123 TRP H CD1 1 ATOM 856 C CD2 . TRP A 1 109 ? 60.543 -16.182 0.865 1.00 26.14 ? 123 TRP H CD2 1 ATOM 857 N NE1 . TRP A 1 109 ? 62.276 -17.062 -0.263 1.00 26.41 ? 123 TRP H NE1 1 ATOM 858 C CE2 . TRP A 1 109 ? 60.997 -17.320 0.156 1.00 28.40 ? 123 TRP H CE2 1 ATOM 859 C CE3 . TRP A 1 109 ? 59.252 -16.194 1.404 1.00 28.33 ? 123 TRP H CE3 1 ATOM 860 C CZ2 . TRP A 1 109 ? 60.212 -18.467 0.002 1.00 26.84 ? 123 TRP H CZ2 1 ATOM 861 C CZ3 . TRP A 1 109 ? 58.471 -17.328 1.239 1.00 28.60 ? 123 TRP H CZ3 1 ATOM 862 C CH2 . TRP A 1 109 ? 58.956 -18.451 0.547 1.00 27.44 ? 123 TRP H CH2 1 ATOM 863 N N . GLY A 1 110 ? 60.667 -10.703 1.297 1.00 24.22 ? 124 GLY H N 1 ATOM 864 C CA . GLY A 1 110 ? 60.361 -9.571 2.140 1.00 26.25 ? 124 GLY H CA 1 ATOM 865 C C . GLY A 1 110 ? 59.994 -9.993 3.556 1.00 28.85 ? 124 GLY H C 1 ATOM 866 O O . GLY A 1 110 ? 59.824 -11.181 3.845 1.00 27.72 ? 124 GLY H O 1 ATOM 867 N N . PRO A 1 111 ? 59.872 -9.013 4.463 1.00 25.67 ? 125 PRO H N 1 ATOM 868 C CA . PRO A 1 111 ? 59.503 -9.325 5.862 1.00 28.59 ? 125 PRO H CA 1 ATOM 869 C C . PRO A 1 111 ? 58.085 -9.836 6.031 1.00 31.70 ? 125 PRO H C 1 ATOM 870 O O . PRO A 1 111 ? 57.791 -10.449 7.070 1.00 33.22 ? 125 PRO H O 1 ATOM 871 C CB . PRO A 1 111 ? 59.665 -7.986 6.593 1.00 34.16 ? 125 PRO H CB 1 ATOM 872 C CG . PRO A 1 111 ? 60.252 -7.030 5.644 1.00 37.29 ? 125 PRO H CG 1 ATOM 873 C CD . PRO A 1 111 ? 60.203 -7.593 4.261 1.00 28.00 ? 125 PRO H CD 1 ATOM 874 N N . GLY A 1 112 ? 57.195 -9.561 5.091 1.00 28.80 ? 126 GLY H N 1 ATOM 875 C CA . GLY A 1 112 ? 55.831 -10.038 5.161 1.00 27.65 ? 126 GLY H CA 1 ATOM 876 C C . GLY A 1 112 ? 54.863 -8.978 5.664 1.00 33.18 ? 126 GLY H C 1 ATOM 877 O O . GLY A 1 112 ? 55.231 -8.038 6.381 1.00 34.29 ? 126 GLY H O 1 ATOM 878 N N . THR A 1 113 ? 53.601 -9.122 5.275 1.00 29.78 ? 127 THR H N 1 ATOM 879 C CA . THR A 1 113 ? 52.531 -8.265 5.770 1.00 31.90 ? 127 THR H CA 1 ATOM 880 C C . THR A 1 113 ? 51.363 -9.156 6.182 1.00 29.88 ? 127 THR H C 1 ATOM 881 O O . THR A 1 113 ? 51.007 -10.105 5.470 1.00 29.64 ? 127 THR H O 1 ATOM 882 C CB . THR A 1 113 ? 52.117 -7.204 4.719 1.00 28.80 ? 127 THR H CB 1 ATOM 883 O OG1 . THR A 1 113 ? 51.162 -6.302 5.291 1.00 34.63 ? 127 THR H OG1 1 ATOM 884 C CG2 . THR A 1 113 ? 51.517 -7.848 3.476 1.00 27.62 ? 127 THR H CG2 1 ATOM 885 N N . SER A 1 114 ? 50.801 -8.871 7.354 1.00 32.62 ? 128 SER H N 1 ATOM 886 C CA . SER A 1 114 ? 49.807 -9.740 7.963 1.00 32.28 ? 128 SER H CA 1 ATOM 887 C C . SER A 1 114 ? 48.409 -9.396 7.459 1.00 31.93 ? 128 SER H C 1 ATOM 888 O O . SER A 1 114 ? 48.029 -8.221 7.403 1.00 33.38 ? 128 SER H O 1 ATOM 889 C CB . SER A 1 114 ? 49.885 -9.610 9.491 1.00 32.82 ? 128 SER H CB 1 ATOM 890 O OG . SER A 1 114 ? 48.781 -10.228 10.117 1.00 40.39 ? 128 SER H OG 1 ATOM 891 N N . VAL A 1 115 ? 47.644 -10.419 7.088 1.00 28.22 ? 129 VAL H N 1 ATOM 892 C CA . VAL A 1 115 ? 46.247 -10.263 6.698 1.00 30.78 ? 129 VAL H CA 1 ATOM 893 C C . VAL A 1 115 ? 45.396 -11.159 7.588 1.00 32.95 ? 129 VAL H C 1 ATOM 894 O O . VAL A 1 115 ? 45.706 -12.344 7.757 1.00 32.10 ? 129 VAL H O 1 ATOM 895 C CB . VAL A 1 115 ? 46.023 -10.603 5.214 1.00 36.69 ? 129 VAL H CB 1 ATOM 896 C CG1 . VAL A 1 115 ? 44.541 -10.493 4.867 1.00 32.34 ? 129 VAL H CG1 1 ATOM 897 C CG2 . VAL A 1 115 ? 46.862 -9.683 4.328 1.00 31.00 ? 129 VAL H CG2 1 ATOM 898 N N . THR A 1 116 ? 44.321 -10.599 8.142 1.00 31.91 ? 130 THR H N 1 ATOM 899 C CA . THR A 1 116 ? 43.365 -11.347 8.953 1.00 33.28 ? 130 THR H CA 1 ATOM 900 C C . THR A 1 116 ? 41.994 -11.237 8.303 1.00 40.52 ? 130 THR H C 1 ATOM 901 O O . THR A 1 116 ? 41.484 -10.126 8.110 1.00 35.69 ? 130 THR H O 1 ATOM 902 C CB . THR A 1 116 ? 43.298 -10.817 10.393 1.00 37.50 ? 130 THR H CB 1 ATOM 903 O OG1 . THR A 1 116 ? 44.596 -10.866 10.996 1.00 37.18 ? 130 THR H OG1 1 ATOM 904 C CG2 . THR A 1 116 ? 42.339 -11.660 11.227 1.00 38.16 ? 130 THR H CG2 1 ATOM 905 N N . VAL A 1 117 ? 41.391 -12.378 7.990 1.00 34.99 ? 131 VAL H N 1 ATOM 906 C CA . VAL A 1 117 ? 40.044 -12.417 7.430 1.00 36.72 ? 131 VAL H CA 1 ATOM 907 C C . VAL A 1 117 ? 39.083 -12.836 8.536 1.00 38.80 ? 131 VAL H C 1 ATOM 908 O O . VAL A 1 117 ? 39.070 -13.999 8.953 1.00 39.96 ? 131 VAL H O 1 ATOM 909 C CB . VAL A 1 117 ? 39.956 -13.361 6.223 1.00 36.28 ? 131 VAL H CB 1 ATOM 910 C CG1 . VAL A 1 117 ? 38.543 -13.336 5.658 1.00 38.54 ? 131 VAL H CG1 1 ATOM 911 C CG2 . VAL A 1 117 ? 40.974 -12.960 5.171 1.00 34.48 ? 131 VAL H CG2 1 ATOM 912 N N . SER A 1 118 ? 38.256 -11.900 8.997 1.00 33.76 ? 132 SER H N 1 ATOM 913 C CA . SER A 1 118 ? 37.396 -12.159 10.145 1.00 39.97 ? 132 SER H CA 1 ATOM 914 C C . SER A 1 118 ? 36.303 -11.103 10.213 1.00 33.25 ? 132 SER H C 1 ATOM 915 O O . SER A 1 118 ? 36.492 -9.968 9.770 1.00 41.69 ? 132 SER H O 1 ATOM 916 C CB . SER A 1 118 ? 38.201 -12.167 11.452 1.00 43.12 ? 132 SER H CB 1 ATOM 917 O OG . SER A 1 118 ? 37.335 -12.238 12.574 1.00 41.35 ? 132 SER H OG 1 ATOM 918 N N . SER A 1 119 ? 35.161 -11.490 10.775 1.00 34.97 ? 133 SER H N 1 ATOM 919 C CA . SER A 1 119 ? 34.092 -10.545 11.059 1.00 36.10 ? 133 SER H CA 1 ATOM 920 C C . SER A 1 119 ? 34.087 -10.089 12.516 1.00 33.86 ? 133 SER H C 1 ATOM 921 O O . SER A 1 119 ? 33.182 -9.353 12.914 1.00 33.65 ? 133 SER H O 1 ATOM 922 C CB . SER A 1 119 ? 32.731 -11.146 10.690 1.00 45.12 ? 133 SER H CB 1 ATOM 923 O OG . SER A 1 119 ? 32.560 -12.412 11.297 1.00 54.60 ? 133 SER H OG 1 ATOM 924 N N . ALA A 1 120 ? 35.073 -10.497 13.312 1.00 36.00 ? 134 ALA H N 1 ATOM 925 C CA . ALA A 1 120 ? 35.197 -9.973 14.666 1.00 36.73 ? 134 ALA H CA 1 ATOM 926 C C . ALA A 1 120 ? 35.614 -8.505 14.626 1.00 37.90 ? 134 ALA H C 1 ATOM 927 O O . ALA A 1 120 ? 36.336 -8.063 13.728 1.00 33.42 ? 134 ALA H O 1 ATOM 928 C CB . ALA A 1 120 ? 36.208 -10.793 15.465 1.00 34.05 ? 134 ALA H CB 1 ATOM 929 N N . LYS A 1 121 ? 35.146 -7.744 15.612 1.00 34.49 ? 135 LYS H N 1 ATOM 930 C CA . LYS A 1 121 ? 35.333 -6.298 15.613 1.00 37.14 ? 135 LYS H CA 1 ATOM 931 C C . LYS A 1 121 ? 36.731 -5.903 16.078 1.00 38.97 ? 135 LYS H C 1 ATOM 932 O O . LYS A 1 121 ? 37.288 -6.500 17.008 1.00 33.45 ? 135 LYS H O 1 ATOM 933 C CB . LYS A 1 121 ? 34.299 -5.630 16.518 1.00 48.52 ? 135 LYS H CB 1 ATOM 934 C CG . LYS A 1 121 ? 32.860 -5.853 16.092 1.00 53.36 ? 135 LYS H CG 1 ATOM 935 C CD . LYS A 1 121 ? 31.902 -5.250 17.107 1.00 60.18 ? 135 LYS H CD 1 ATOM 936 C CE . LYS A 1 121 ? 30.462 -5.387 16.647 1.00 66.77 ? 135 LYS H CE 1 ATOM 937 N NZ . LYS A 1 121 ? 29.516 -4.726 17.589 1.00 69.04 ? 135 LYS H NZ 1 ATOM 938 N N . THR A 1 122 ? 37.281 -4.870 15.438 1.00 34.39 ? 136 THR H N 1 ATOM 939 C CA . THR A 1 122 ? 38.507 -4.239 15.916 1.00 36.50 ? 136 THR H CA 1 ATOM 940 C C . THR A 1 122 ? 38.311 -3.700 17.329 1.00 38.82 ? 136 THR H C 1 ATOM 941 O O . THR A 1 122 ? 37.366 -2.949 17.588 1.00 35.44 ? 136 THR H O 1 ATOM 942 C CB . THR A 1 122 ? 38.901 -3.099 14.981 1.00 33.39 ? 136 THR H CB 1 ATOM 943 O OG1 . THR A 1 122 ? 39.072 -3.604 13.650 1.00 33.12 ? 136 THR H OG1 1 ATOM 944 C CG2 . THR A 1 122 ? 40.194 -2.425 15.441 1.00 31.15 ? 136 THR H CG2 1 ATOM 945 N N . THR A 1 123 ? 39.224 -4.061 18.234 1.00 33.35 ? 137 THR H N 1 ATOM 946 C CA . THR A 1 123 ? 39.140 -3.683 19.644 1.00 33.92 ? 137 THR H CA 1 ATOM 947 C C . THR A 1 123 ? 40.518 -3.277 20.149 1.00 32.48 ? 137 THR H C 1 ATOM 948 O O . THR A 1 123 ? 41.507 -3.962 19.875 1.00 33.46 ? 137 THR H O 1 ATOM 949 C CB . THR A 1 123 ? 38.593 -4.837 20.486 1.00 38.63 ? 137 THR H CB 1 ATOM 950 O OG1 . THR A 1 123 ? 37.383 -5.324 19.893 1.00 41.49 ? 137 THR H OG1 1 ATOM 951 C CG2 . THR A 1 123 ? 38.305 -4.366 21.903 1.00 34.38 ? 137 THR H CG2 1 ATOM 952 N N . ALA A 1 124 ? 40.581 -2.153 20.897 1.00 32.93 ? 138 ALA H N 1 ATOM 953 C CA . ALA A 1 124 ? 41.844 -1.651 21.422 1.00 32.99 ? 138 ALA H CA 1 ATOM 954 C C . ALA A 1 124 ? 42.297 -2.468 22.637 1.00 34.80 ? 138 ALA H C 1 ATOM 955 O O . ALA A 1 124 ? 41.470 -2.991 23.387 1.00 35.96 ? 138 ALA H O 1 ATOM 956 C CB . ALA A 1 124 ? 41.714 -0.177 21.814 1.00 40.49 ? 138 ALA H CB 1 ATOM 957 N N . PRO A 1 125 ? 43.604 -2.587 22.849 1.00 35.18 ? 139 PRO H N 1 ATOM 958 C CA . PRO A 1 125 ? 44.109 -3.343 23.997 1.00 31.79 ? 139 PRO H CA 1 ATOM 959 C C . PRO A 1 125 ? 44.038 -2.539 25.287 1.00 28.98 ? 139 PRO H C 1 ATOM 960 O O . PRO A 1 125 ? 44.019 -1.308 25.287 1.00 33.86 ? 139 PRO H O 1 ATOM 961 C CB . PRO A 1 125 ? 45.568 -3.613 23.621 1.00 32.91 ? 139 PRO H CB 1 ATOM 962 C CG . PRO A 1 125 ? 45.936 -2.454 22.739 1.00 33.70 ? 139 PRO H CG 1 ATOM 963 C CD . PRO A 1 125 ? 44.687 -2.153 21.948 1.00 34.70 ? 139 PRO H CD 1 ATOM 964 N N . SER A 1 126 ? 43.999 -3.271 26.389 1.00 31.79 ? 140 SER H N 1 ATOM 965 C CA . SER A 1 126 ? 44.306 -2.737 27.711 1.00 35.20 ? 140 SER H CA 1 ATOM 966 C C . SER A 1 126 ? 45.703 -3.209 28.087 1.00 32.34 ? 140 SER H C 1 ATOM 967 O O . SER A 1 126 ? 46.057 -4.366 27.840 1.00 36.46 ? 140 SER H O 1 ATOM 968 C CB . SER A 1 126 ? 43.290 -3.208 28.752 1.00 38.87 ? 140 SER H CB 1 ATOM 969 O OG . SER A 1 126 ? 41.976 -2.823 28.400 1.00 43.09 ? 140 SER H OG 1 ATOM 970 N N . VAL A 1 127 ? 46.502 -2.318 28.664 1.00 31.60 ? 141 VAL H N 1 ATOM 971 C CA . VAL A 1 127 ? 47.905 -2.608 28.944 1.00 33.17 ? 141 VAL H CA 1 ATOM 972 C C . VAL A 1 127 ? 48.127 -2.511 30.447 1.00 33.51 ? 141 VAL H C 1 ATOM 973 O O . VAL A 1 127 ? 47.901 -1.450 31.045 1.00 37.56 ? 141 VAL H O 1 ATOM 974 C CB . VAL A 1 127 ? 48.844 -1.659 28.186 1.00 35.65 ? 141 VAL H CB 1 ATOM 975 C CG1 . VAL A 1 127 ? 50.281 -1.990 28.511 1.00 38.05 ? 141 VAL H CG1 1 ATOM 976 C CG2 . VAL A 1 127 ? 48.585 -1.762 26.669 1.00 34.35 ? 141 VAL H CG2 1 ATOM 977 N N . TYR A 1 128 ? 48.593 -3.604 31.053 1.00 30.96 ? 142 TYR H N 1 ATOM 978 C CA . TYR A 1 128 ? 48.692 -3.688 32.513 1.00 35.14 ? 142 TYR H CA 1 ATOM 979 C C . TYR A 1 128 ? 50.132 -3.914 32.959 1.00 36.71 ? 142 TYR H C 1 ATOM 980 O O . TYR A 1 128 ? 50.760 -4.902 32.538 1.00 34.16 ? 142 TYR H O 1 ATOM 981 C CB . TYR A 1 128 ? 47.798 -4.814 33.041 1.00 32.21 ? 142 TYR H CB 1 ATOM 982 C CG . TYR A 1 128 ? 46.335 -4.660 32.684 1.00 37.13 ? 142 TYR H CG 1 ATOM 983 C CD1 . TYR A 1 128 ? 45.639 -3.496 32.996 1.00 39.51 ? 142 TYR H CD1 1 ATOM 984 C CD2 . TYR A 1 128 ? 45.653 -5.678 32.030 1.00 36.86 ? 142 TYR H CD2 1 ATOM 985 C CE1 . TYR A 1 128 ? 44.299 -3.352 32.660 1.00 41.26 ? 142 TYR H CE1 1 ATOM 986 C CE2 . TYR A 1 128 ? 44.306 -5.549 31.702 1.00 35.20 ? 142 TYR H CE2 1 ATOM 987 C CZ . TYR A 1 128 ? 43.639 -4.384 32.019 1.00 41.79 ? 142 TYR H CZ 1 ATOM 988 O OH . TYR A 1 128 ? 42.310 -4.249 31.691 1.00 45.57 ? 142 TYR H OH 1 ATOM 989 N N . PRO A 1 129 ? 50.686 -3.062 33.818 1.00 35.54 ? 143 PRO H N 1 ATOM 990 C CA . PRO A 1 129 ? 52.043 -3.292 34.331 1.00 34.84 ? 143 PRO H CA 1 ATOM 991 C C . PRO A 1 129 ? 52.061 -4.357 35.421 1.00 39.30 ? 143 PRO H C 1 ATOM 992 O O . PRO A 1 129 ? 51.188 -4.392 36.294 1.00 41.09 ? 143 PRO H O 1 ATOM 993 C CB . PRO A 1 129 ? 52.427 -1.922 34.902 1.00 44.18 ? 143 PRO H CB 1 ATOM 994 C CG . PRO A 1 129 ? 51.111 -1.385 35.409 1.00 50.78 ? 143 PRO H CG 1 ATOM 995 C CD . PRO A 1 129 ? 50.086 -1.836 34.372 1.00 45.03 ? 143 PRO H CD 1 ATOM 996 N N . LEU A 1 130 ? 53.084 -5.214 35.388 1.00 33.07 ? 144 LEU H N 1 ATOM 997 C CA . LEU A 1 130 ? 53.219 -6.316 36.341 1.00 37.72 ? 144 LEU H CA 1 ATOM 998 C C . LEU A 1 130 ? 54.494 -6.151 37.160 1.00 34.48 ? 144 LEU H C 1 ATOM 999 O O . LEU A 1 130 ? 55.598 -6.213 36.612 1.00 33.05 ? 144 LEU H O 1 ATOM 1000 C CB . LEU A 1 130 ? 53.237 -7.664 35.620 1.00 35.41 ? 144 LEU H CB 1 ATOM 1001 C CG . LEU A 1 130 ? 52.107 -7.944 34.630 1.00 40.79 ? 144 LEU H CG 1 ATOM 1002 C CD1 . LEU A 1 130 ? 52.324 -9.280 33.944 1.00 38.10 ? 144 LEU H CD1 1 ATOM 1003 C CD2 . LEU A 1 130 ? 50.770 -7.913 35.350 1.00 41.70 ? 144 LEU H CD2 1 ATOM 1004 N N . ALA A 1 131 ? 54.349 -5.965 38.480 1.00 33.55 ? 145 ALA H N 1 ATOM 1005 C CA . ALA A 1 131 ? 55.489 -5.857 39.379 1.00 36.51 ? 145 ALA H CA 1 ATOM 1006 C C . ALA A 1 131 ? 55.320 -6.833 40.536 1.00 35.51 ? 145 ALA H C 1 ATOM 1007 O O . ALA A 1 131 ? 54.191 -7.158 40.904 1.00 35.78 ? 145 ALA H O 1 ATOM 1008 C CB . ALA A 1 131 ? 55.627 -4.428 39.932 1.00 41.60 ? 145 ALA H CB 1 ATOM 1009 N N . PRO A 1 132 ? 56.414 -7.334 41.112 1.00 37.66 ? 146 PRO H N 1 ATOM 1010 C CA . PRO A 1 132 ? 56.288 -8.322 42.192 1.00 38.90 ? 146 PRO H CA 1 ATOM 1011 C C . PRO A 1 132 ? 55.799 -7.695 43.490 1.00 38.48 ? 146 PRO H C 1 ATOM 1012 O O . PRO A 1 132 ? 55.935 -6.494 43.728 1.00 39.18 ? 146 PRO H O 1 ATOM 1013 C CB . PRO A 1 132 ? 57.713 -8.862 42.349 1.00 38.90 ? 146 PRO H CB 1 ATOM 1014 C CG . PRO A 1 132 ? 58.583 -7.733 41.899 1.00 39.58 ? 146 PRO H CG 1 ATOM 1015 C CD . PRO A 1 132 ? 57.824 -7.032 40.800 1.00 37.92 ? 146 PRO H CD 1 ATOM 1016 N N . VAL A 1 133 ? 55.218 -8.536 44.341 1.00 38.92 ? 147 VAL H N 1 ATOM 1017 C CA . VAL A 1 133 ? 54.853 -8.123 45.692 1.00 40.00 ? 147 VAL H CA 1 ATOM 1018 C C . VAL A 1 133 ? 55.758 -8.829 46.690 1.00 43.55 ? 147 VAL H C 1 ATOM 1019 O O . VAL A 1 133 ? 56.416 -9.827 46.383 1.00 42.39 ? 147 VAL H O 1 ATOM 1020 C CB . VAL A 1 133 ? 53.373 -8.404 46.031 1.00 41.92 ? 147 VAL H CB 1 ATOM 1021 C CG1 . VAL A 1 133 ? 52.458 -7.554 45.174 1.00 41.29 ? 147 VAL H CG1 1 ATOM 1022 C CG2 . VAL A 1 133 ? 53.062 -9.898 45.895 1.00 40.64 ? 147 VAL H CG2 1 ATOM 1023 N N . CYS A 1 134 ? 55.774 -8.295 47.914 1.00 43.66 ? 148 CYS H N 1 ATOM 1024 C CA . CYS A 1 134 ? 56.423 -8.912 49.070 1.00 51.23 ? 148 CYS H CA 1 ATOM 1025 C C . CYS A 1 134 ? 57.936 -9.043 48.916 1.00 47.39 ? 148 CYS H C 1 ATOM 1026 O O . CYS A 1 134 ? 58.576 -9.772 49.681 1.00 52.76 ? 148 CYS H O 1 ATOM 1027 C CB . CYS A 1 134 ? 55.807 -10.280 49.373 1.00 57.72 ? 148 CYS H CB 1 ATOM 1028 S SG . CYS A 1 134 ? 54.038 -10.206 49.692 1.00 55.89 ? 148 CYS H SG 1 ATOM 1029 N N . GLY A 1 135 ? 58.534 -8.331 47.966 1.00 48.60 ? 149 GLY H N 1 ATOM 1030 C CA . GLY A 1 135 ? 59.962 -8.441 47.746 1.00 62.11 ? 149 GLY H CA 1 ATOM 1031 C C . GLY A 1 135 ? 60.398 -9.694 47.018 1.00 67.93 ? 149 GLY H C 1 ATOM 1032 O O . GLY A 1 135 ? 61.533 -10.146 47.209 1.00 69.62 ? 149 GLY H O 1 ATOM 1033 N N . ASP A 1 136 ? 59.531 -10.268 46.182 1.00 64.20 ? 150 ASP H N 1 ATOM 1034 C CA . ASP A 1 136 ? 59.858 -11.498 45.468 1.00 74.37 ? 150 ASP H CA 1 ATOM 1035 C C . ASP A 1 136 ? 60.978 -11.253 44.461 1.00 78.59 ? 150 ASP H C 1 ATOM 1036 O O . ASP A 1 136 ? 60.867 -10.386 43.586 1.00 71.59 ? 150 ASP H O 1 ATOM 1037 C CB . ASP A 1 136 ? 58.622 -12.056 44.765 1.00 76.22 ? 150 ASP H CB 1 ATOM 1038 C CG . ASP A 1 136 ? 57.901 -13.100 45.599 1.00 79.34 ? 150 ASP H CG 1 ATOM 1039 O OD1 . ASP A 1 136 ? 57.995 -13.022 46.842 1.00 78.15 ? 150 ASP H OD1 1 ATOM 1040 O OD2 . ASP A 1 136 ? 57.248 -13.999 45.016 1.00 73.90 ? 150 ASP H OD2 1 ATOM 1041 N N . THR A 1 137 ? 62.055 -12.023 44.591 1.00 83.59 ? 151 THR H N 1 ATOM 1042 C CA . THR A 1 137 ? 63.192 -11.947 43.690 1.00 79.08 ? 151 THR H CA 1 ATOM 1043 C C . THR A 1 137 ? 63.693 -13.354 43.407 1.00 75.26 ? 151 THR H C 1 ATOM 1044 O O . THR A 1 137 ? 63.497 -14.274 44.205 1.00 75.90 ? 151 THR H O 1 ATOM 1045 C CB . THR A 1 137 ? 64.341 -11.105 44.275 1.00 75.80 ? 151 THR H CB 1 ATOM 1046 O OG1 . THR A 1 137 ? 64.614 -11.530 45.618 1.00 69.23 ? 151 THR H OG1 1 ATOM 1047 C CG2 . THR A 1 137 ? 63.988 -9.625 44.268 1.00 72.88 ? 151 THR H CG2 1 ATOM 1048 N N . THR A 1 138 ? 64.340 -13.513 42.261 1.00 71.61 ? 152 THR H N 1 ATOM 1049 C CA . THR A 1 138 ? 65.066 -14.736 41.932 1.00 75.38 ? 152 THR H CA 1 ATOM 1050 C C . THR A 1 138 ? 66.556 -14.407 42.039 1.00 79.90 ? 152 THR H C 1 ATOM 1051 O O . THR A 1 138 ? 67.182 -13.948 41.080 1.00 76.78 ? 152 THR H O 1 ATOM 1052 C CB . THR A 1 138 ? 64.696 -15.266 40.544 1.00 69.28 ? 152 THR H CB 1 ATOM 1053 O OG1 . THR A 1 138 ? 63.304 -15.617 40.517 1.00 69.72 ? 152 THR H OG1 1 ATOM 1054 C CG2 . THR A 1 138 ? 65.525 -16.499 40.215 1.00 67.89 ? 152 THR H CG2 1 ATOM 1055 N N . GLY A 1 139 ? 67.111 -14.625 43.226 1.00 84.84 ? 153 GLY H N 1 ATOM 1056 C CA . GLY A 1 139 ? 68.533 -14.404 43.434 1.00 85.94 ? 153 GLY H CA 1 ATOM 1057 C C . GLY A 1 139 ? 68.901 -12.936 43.338 1.00 80.11 ? 153 GLY H C 1 ATOM 1058 O O . GLY A 1 139 ? 68.419 -12.098 44.110 1.00 79.32 ? 153 GLY H O 1 ATOM 1059 N N . SER A 1 140 ? 69.762 -12.612 42.373 1.00 73.34 ? 154 SER H N 1 ATOM 1060 C CA . SER A 1 140 ? 70.279 -11.262 42.203 1.00 70.43 ? 154 SER H CA 1 ATOM 1061 C C . SER A 1 140 ? 69.492 -10.438 41.191 1.00 63.69 ? 154 SER H C 1 ATOM 1062 O O . SER A 1 140 ? 69.838 -9.275 40.963 1.00 64.57 ? 154 SER H O 1 ATOM 1063 C CB . SER A 1 140 ? 71.752 -11.316 41.787 1.00 78.99 ? 154 SER H CB 1 ATOM 1064 O OG . SER A 1 140 ? 71.904 -11.974 40.539 1.00 81.05 ? 154 SER H OG 1 ATOM 1065 N N . SER A 1 141 ? 68.453 -11.000 40.579 1.00 55.91 ? 155 SER H N 1 ATOM 1066 C CA . SER A 1 141 ? 67.691 -10.284 39.569 1.00 50.09 ? 155 SER H CA 1 ATOM 1067 C C . SER A 1 141 ? 66.215 -10.251 39.946 1.00 55.26 ? 155 SER H C 1 ATOM 1068 O O . SER A 1 141 ? 65.745 -11.009 40.800 1.00 51.36 ? 155 SER H O 1 ATOM 1069 C CB . SER A 1 141 ? 67.885 -10.907 38.179 1.00 61.75 ? 155 SER H CB 1 ATOM 1070 O OG . SER A 1 141 ? 67.762 -12.313 38.234 1.00 75.38 ? 155 SER H OG 1 ATOM 1071 N N . VAL A 1 142 ? 65.498 -9.324 39.317 1.00 46.37 ? 156 VAL H N 1 ATOM 1072 C CA . VAL A 1 142 ? 64.057 -9.187 39.456 1.00 43.65 ? 156 VAL H CA 1 ATOM 1073 C C . VAL A 1 142 ? 63.442 -9.316 38.072 1.00 49.29 ? 156 VAL H C 1 ATOM 1074 O O . VAL A 1 142 ? 64.065 -8.970 37.062 1.00 42.33 ? 156 VAL H O 1 ATOM 1075 C CB . VAL A 1 142 ? 63.661 -7.846 40.110 1.00 44.00 ? 156 VAL H CB 1 ATOM 1076 C CG1 . VAL A 1 142 ? 64.127 -6.674 39.270 1.00 44.30 ? 156 VAL H CG1 1 ATOM 1077 C CG2 . VAL A 1 142 ? 62.157 -7.775 40.365 1.00 48.25 ? 156 VAL H CG2 1 ATOM 1078 N N . THR A 1 143 ? 62.216 -9.822 38.026 1.00 39.74 ? 157 THR H N 1 ATOM 1079 C CA . THR A 1 143 ? 61.490 -9.984 36.772 1.00 37.78 ? 157 THR H CA 1 ATOM 1080 C C . THR A 1 143 ? 60.230 -9.139 36.847 1.00 45.33 ? 157 THR H C 1 ATOM 1081 O O . THR A 1 143 ? 59.491 -9.202 37.836 1.00 38.89 ? 157 THR H O 1 ATOM 1082 C CB . THR A 1 143 ? 61.159 -11.455 36.505 1.00 37.00 ? 157 THR H CB 1 ATOM 1083 O OG1 . THR A 1 143 ? 62.378 -12.186 36.321 1.00 38.28 ? 157 THR H OG1 1 ATOM 1084 C CG2 . THR A 1 143 ? 60.286 -11.617 35.257 1.00 35.41 ? 157 THR H CG2 1 ATOM 1085 N N . LEU A 1 144 ? 60.036 -8.298 35.843 1.00 35.85 ? 158 LEU H N 1 ATOM 1086 C CA . LEU A 1 144 ? 58.841 -7.490 35.681 1.00 34.81 ? 158 LEU H CA 1 ATOM 1087 C C . LEU A 1 144 ? 58.097 -7.969 34.444 1.00 36.91 ? 158 LEU H C 1 ATOM 1088 O O . LEU A 1 144 ? 58.620 -8.748 33.643 1.00 34.20 ? 158 LEU H O 1 ATOM 1089 C CB . LEU A 1 144 ? 59.194 -6.005 35.549 1.00 35.63 ? 158 LEU H CB 1 ATOM 1090 C CG . LEU A 1 144 ? 60.226 -5.468 36.536 1.00 37.82 ? 158 LEU H CG 1 ATOM 1091 C CD1 . LEU A 1 144 ? 60.575 -4.040 36.195 1.00 43.93 ? 158 LEU H CD1 1 ATOM 1092 C CD2 . LEU A 1 144 ? 59.681 -5.564 37.959 1.00 37.94 ? 158 LEU H CD2 1 ATOM 1093 N N . GLY A 1 145 ? 56.859 -7.507 34.287 1.00 35.11 ? 159 GLY H N 1 ATOM 1094 C CA . GLY A 1 145 ? 56.102 -7.942 33.129 1.00 33.95 ? 159 GLY H CA 1 ATOM 1095 C C . GLY A 1 145 ? 55.109 -6.915 32.634 1.00 35.98 ? 159 GLY H C 1 ATOM 1096 O O . GLY A 1 145 ? 54.857 -5.884 33.264 1.00 32.48 ? 159 GLY H O 1 ATOM 1097 N N . CYS A 1 146 ? 54.530 -7.233 31.480 1.00 31.02 ? 160 CYS H N 1 ATOM 1098 C CA . CYS A 1 146 ? 53.532 -6.391 30.843 1.00 30.08 ? 160 CYS H CA 1 ATOM 1099 C C . CYS A 1 146 ? 52.473 -7.302 30.238 1.00 35.78 ? 160 CYS H C 1 ATOM 1100 O O . CYS A 1 146 ? 52.809 -8.238 29.500 1.00 31.91 ? 160 CYS H O 1 ATOM 1101 C CB . CYS A 1 146 ? 54.192 -5.520 29.764 1.00 34.04 ? 160 CYS H CB 1 ATOM 1102 S SG . CYS A 1 146 ? 53.217 -4.174 29.099 1.00 46.13 ? 160 CYS H SG 1 ATOM 1103 N N . LEU A 1 147 ? 51.206 -7.029 30.543 1.00 29.15 ? 161 LEU H N 1 ATOM 1104 C CA . LEU A 1 147 ? 50.084 -7.858 30.106 1.00 28.68 ? 161 LEU H CA 1 ATOM 1105 C C . LEU A 1 147 ? 49.190 -7.035 29.191 1.00 34.30 ? 161 LEU H C 1 ATOM 1106 O O . LEU A 1 147 ? 48.734 -5.952 29.572 1.00 33.04 ? 161 LEU H O 1 ATOM 1107 C CB . LEU A 1 147 ? 49.287 -8.392 31.305 1.00 29.82 ? 161 LEU H CB 1 ATOM 1108 C CG . LEU A 1 147 ? 48.063 -9.266 30.981 1.00 26.80 ? 161 LEU H CG 1 ATOM 1109 C CD1 . LEU A 1 147 ? 48.434 -10.575 30.290 1.00 27.67 ? 161 LEU H CD1 1 ATOM 1110 C CD2 . LEU A 1 147 ? 47.272 -9.575 32.276 1.00 30.74 ? 161 LEU H CD2 1 ATOM 1111 N N . VAL A 1 148 ? 48.956 -7.539 27.978 1.00 29.32 ? 162 VAL H N 1 ATOM 1112 C CA . VAL A 1 148 ? 48.174 -6.848 26.959 1.00 33.11 ? 162 VAL H CA 1 ATOM 1113 C C . VAL A 1 148 ? 46.959 -7.714 26.657 1.00 40.03 ? 162 VAL H C 1 ATOM 1114 O O . VAL A 1 148 ? 47.105 -8.860 26.212 1.00 33.68 ? 162 VAL H O 1 ATOM 1115 C CB . VAL A 1 148 ? 49.002 -6.596 25.686 1.00 32.88 ? 162 VAL H CB 1 ATOM 1116 C CG1 . VAL A 1 148 ? 48.213 -5.776 24.686 1.00 35.29 ? 162 VAL H CG1 1 ATOM 1117 C CG2 . VAL A 1 148 ? 50.311 -5.906 26.032 1.00 31.44 ? 162 VAL H CG2 1 ATOM 1118 N N . LYS A 1 149 ? 45.763 -7.175 26.895 1.00 28.18 ? 163 LYS H N 1 ATOM 1119 C CA . LYS A 1 149 ? 44.555 -7.986 26.880 1.00 28.03 ? 163 LYS H CA 1 ATOM 1120 C C . LYS A 1 149 ? 43.453 -7.312 26.079 1.00 28.94 ? 163 LYS H C 1 ATOM 1121 O O . LYS A 1 149 ? 43.396 -6.085 25.977 1.00 33.79 ? 163 LYS H O 1 ATOM 1122 C CB . LYS A 1 149 ? 44.043 -8.253 28.319 1.00 31.26 ? 163 LYS H CB 1 ATOM 1123 C CG . LYS A 1 149 ? 44.583 -9.530 28.924 1.00 35.02 ? 163 LYS H CG 1 ATOM 1124 C CD . LYS A 1 149 ? 44.028 -9.757 30.331 1.00 32.10 ? 163 LYS H CD 1 ATOM 1125 C CE . LYS A 1 149 ? 42.544 -10.101 30.308 1.00 32.49 ? 163 LYS H CE 1 ATOM 1126 N NZ . LYS A 1 149 ? 42.279 -11.315 29.494 1.00 36.97 ? 163 LYS H NZ 1 ATOM 1127 N N . GLY A 1 150 ? 42.580 -8.140 25.518 1.00 28.99 ? 164 GLY H N 1 ATOM 1128 C CA . GLY A 1 150 ? 41.313 -7.683 24.987 1.00 38.10 ? 164 GLY H CA 1 ATOM 1129 C C . GLY A 1 150 ? 41.356 -6.992 23.645 1.00 37.85 ? 164 GLY H C 1 ATOM 1130 O O . GLY A 1 150 ? 40.488 -6.161 23.368 1.00 33.09 ? 164 GLY H O 1 ATOM 1131 N N . TYR A 1 151 ? 42.325 -7.311 22.789 1.00 30.92 ? 165 TYR H N 1 ATOM 1132 C CA . TYR A 1 151 ? 42.443 -6.596 21.525 1.00 33.16 ? 165 TYR H CA 1 ATOM 1133 C C . TYR A 1 151 ? 42.199 -7.513 20.333 1.00 32.43 ? 165 TYR H C 1 ATOM 1134 O O . TYR A 1 151 ? 42.237 -8.744 20.435 1.00 31.51 ? 165 TYR H O 1 ATOM 1135 C CB . TYR A 1 151 ? 43.818 -5.919 21.375 1.00 32.06 ? 165 TYR H CB 1 ATOM 1136 C CG . TYR A 1 151 ? 44.986 -6.868 21.198 1.00 34.80 ? 165 TYR H CG 1 ATOM 1137 C CD1 . TYR A 1 151 ? 45.657 -7.383 22.305 1.00 33.90 ? 165 TYR H CD1 1 ATOM 1138 C CD2 . TYR A 1 151 ? 45.430 -7.238 19.923 1.00 34.38 ? 165 TYR H CD2 1 ATOM 1139 C CE1 . TYR A 1 151 ? 46.725 -8.239 22.159 1.00 32.63 ? 165 TYR H CE1 1 ATOM 1140 C CE2 . TYR A 1 151 ? 46.503 -8.106 19.764 1.00 33.40 ? 165 TYR H CE2 1 ATOM 1141 C CZ . TYR A 1 151 ? 47.151 -8.593 20.888 1.00 33.10 ? 165 TYR H CZ 1 ATOM 1142 O OH . TYR A 1 151 ? 48.218 -9.447 20.755 1.00 31.94 ? 165 TYR H OH 1 ATOM 1143 N N . PHE A 1 152 ? 41.947 -6.875 19.190 1.00 29.26 ? 166 PHE H N 1 ATOM 1144 C CA . PHE A 1 152 ? 41.758 -7.558 17.911 1.00 27.99 ? 166 PHE H CA 1 ATOM 1145 C C . PHE A 1 152 ? 41.834 -6.534 16.775 1.00 30.86 ? 166 PHE H C 1 ATOM 1146 O O . PHE A 1 152 ? 41.310 -5.431 16.911 1.00 33.15 ? 166 PHE H O 1 ATOM 1147 C CB . PHE A 1 152 ? 40.409 -8.287 17.878 1.00 29.49 ? 166 PHE H CB 1 ATOM 1148 C CG . PHE A 1 152 ? 40.245 -9.190 16.697 1.00 30.92 ? 166 PHE H CG 1 ATOM 1149 C CD1 . PHE A 1 152 ? 40.726 -10.492 16.738 1.00 30.14 ? 166 PHE H CD1 1 ATOM 1150 C CD2 . PHE A 1 152 ? 39.623 -8.740 15.533 1.00 31.12 ? 166 PHE H CD2 1 ATOM 1151 C CE1 . PHE A 1 152 ? 40.598 -11.336 15.645 1.00 34.03 ? 166 PHE H CE1 1 ATOM 1152 C CE2 . PHE A 1 152 ? 39.486 -9.587 14.422 1.00 33.40 ? 166 PHE H CE2 1 ATOM 1153 C CZ . PHE A 1 152 ? 39.974 -10.882 14.480 1.00 37.78 ? 166 PHE H CZ 1 ATOM 1154 N N . PRO A 1 153 ? 42.488 -6.887 15.650 1.00 30.77 ? 167 PRO H N 1 ATOM 1155 C CA . PRO A 1 153 ? 43.214 -8.126 15.365 1.00 27.75 ? 167 PRO H CA 1 ATOM 1156 C C . PRO A 1 153 ? 44.676 -8.034 15.791 1.00 28.74 ? 167 PRO H C 1 ATOM 1157 O O . PRO A 1 153 ? 45.102 -7.015 16.337 1.00 30.07 ? 167 PRO H O 1 ATOM 1158 C CB . PRO A 1 153 ? 43.120 -8.225 13.840 1.00 34.27 ? 167 PRO H CB 1 ATOM 1159 C CG . PRO A 1 153 ? 43.257 -6.782 13.417 1.00 32.37 ? 167 PRO H CG 1 ATOM 1160 C CD . PRO A 1 153 ? 42.486 -5.990 14.473 1.00 29.98 ? 167 PRO H CD 1 ATOM 1161 N N . GLU A 1 154 ? 45.444 -9.084 15.518 1.00 32.67 ? 168 GLU H N 1 ATOM 1162 C CA . GLU A 1 154 ? 46.896 -8.976 15.563 1.00 30.28 ? 168 GLU H CA 1 ATOM 1163 C C . GLU A 1 154 ? 47.321 -8.101 14.369 1.00 31.50 ? 168 GLU H C 1 ATOM 1164 O O . GLU A 1 154 ? 46.582 -8.011 13.382 1.00 35.22 ? 168 GLU H O 1 ATOM 1165 C CB . GLU A 1 154 ? 47.537 -10.374 15.516 1.00 33.71 ? 168 GLU H CB 1 ATOM 1166 C CG . GLU A 1 154 ? 47.779 -10.991 16.912 1.00 36.23 ? 168 GLU H CG 1 ATOM 1167 C CD . GLU A 1 154 ? 49.108 -10.552 17.534 1.00 38.32 ? 168 GLU H CD 1 ATOM 1168 O OE1 . GLU A 1 154 ? 49.130 -9.593 18.345 1.00 39.90 ? 168 GLU H OE1 1 ATOM 1169 O OE2 . GLU A 1 154 ? 50.142 -11.170 17.200 1.00 39.75 ? 168 GLU H OE2 1 ATOM 1170 N N . PRO A 1 155 ? 48.505 -7.465 14.439 1.00 33.72 ? 169 PRO H N 1 ATOM 1171 C CA . PRO A 1 155 ? 49.501 -7.573 15.512 1.00 32.52 ? 169 PRO H CA 1 ATOM 1172 C C . PRO A 1 155 ? 49.586 -6.408 16.487 1.00 38.86 ? 169 PRO H C 1 ATOM 1173 O O . PRO A 1 155 ? 49.300 -5.261 16.154 1.00 37.48 ? 169 PRO H O 1 ATOM 1174 C CB . PRO A 1 155 ? 50.809 -7.667 14.730 1.00 35.06 ? 169 PRO H CB 1 ATOM 1175 C CG . PRO A 1 155 ? 50.564 -6.731 13.559 1.00 41.85 ? 169 PRO H CG 1 ATOM 1176 C CD . PRO A 1 155 ? 49.077 -6.811 13.242 1.00 34.99 ? 169 PRO H CD 1 ATOM 1177 N N . VAL A 1 156 ? 49.998 -6.737 17.702 1.00 37.15 ? 170 VAL H N 1 ATOM 1178 C CA . VAL A 1 156 ? 50.486 -5.770 18.676 1.00 35.40 ? 170 VAL H CA 1 ATOM 1179 C C . VAL A 1 156 ? 52.006 -5.834 18.669 1.00 36.51 ? 170 VAL H C 1 ATOM 1180 O O . VAL A 1 156 ? 52.589 -6.921 18.563 1.00 44.25 ? 170 VAL H O 1 ATOM 1181 C CB . VAL A 1 156 ? 49.917 -6.067 20.079 1.00 36.85 ? 170 VAL H CB 1 ATOM 1182 C CG1 . VAL A 1 156 ? 50.898 -5.641 21.159 1.00 39.89 ? 170 VAL H CG1 1 ATOM 1183 C CG2 . VAL A 1 156 ? 48.590 -5.356 20.269 1.00 34.64 ? 170 VAL H CG2 1 ATOM 1184 N N . THR A 1 157 ? 52.655 -4.678 18.774 1.00 35.34 ? 171 THR H N 1 ATOM 1185 C CA . THR A 1 157 ? 54.099 -4.603 18.948 1.00 33.95 ? 171 THR H CA 1 ATOM 1186 C C . THR A 1 157 ? 54.408 -4.133 20.361 1.00 36.12 ? 171 THR H C 1 ATOM 1187 O O . THR A 1 157 ? 53.950 -3.064 20.772 1.00 36.97 ? 171 THR H O 1 ATOM 1188 C CB . THR A 1 157 ? 54.735 -3.649 17.943 1.00 37.35 ? 171 THR H CB 1 ATOM 1189 O OG1 . THR A 1 157 ? 54.528 -4.151 16.618 1.00 41.39 ? 171 THR H OG1 1 ATOM 1190 C CG2 . THR A 1 157 ? 56.226 -3.530 18.199 1.00 43.51 ? 171 THR H CG2 1 ATOM 1191 N N . LEU A 1 158 ? 55.192 -4.920 21.087 1.00 31.12 ? 172 LEU H N 1 ATOM 1192 C CA . LEU A 1 158 ? 55.575 -4.597 22.460 1.00 31.88 ? 172 LEU H CA 1 ATOM 1193 C C . LEU A 1 158 ? 57.084 -4.435 22.523 1.00 32.27 ? 172 LEU H C 1 ATOM 1194 O O . LEU A 1 158 ? 57.826 -5.292 22.027 1.00 39.43 ? 172 LEU H O 1 ATOM 1195 C CB . LEU A 1 158 ? 55.109 -5.684 23.423 1.00 29.77 ? 172 LEU H CB 1 ATOM 1196 C CG . LEU A 1 158 ? 55.270 -5.389 24.926 1.00 35.02 ? 172 LEU H CG 1 ATOM 1197 C CD1 . LEU A 1 158 ? 54.287 -6.213 25.724 1.00 36.71 ? 172 LEU H CD1 1 ATOM 1198 C CD2 . LEU A 1 158 ? 56.689 -5.673 25.410 1.00 34.60 ? 172 LEU H CD2 1 ATOM 1199 N N . THR A 1 159 ? 57.537 -3.346 23.130 1.00 34.34 ? 173 THR H N 1 ATOM 1200 C CA . THR A 1 159 ? 58.949 -3.151 23.405 1.00 31.64 ? 173 THR H CA 1 ATOM 1201 C C . THR A 1 159 ? 59.115 -2.708 24.855 1.00 32.10 ? 173 THR H C 1 ATOM 1202 O O . THR A 1 159 ? 58.141 -2.457 25.568 1.00 35.19 ? 173 THR H O 1 ATOM 1203 C CB . THR A 1 159 ? 59.589 -2.112 22.472 1.00 33.47 ? 173 THR H CB 1 ATOM 1204 O OG1 . THR A 1 159 ? 58.903 -0.856 22.581 1.00 40.29 ? 173 THR H OG1 1 ATOM 1205 C CG2 . THR A 1 159 ? 59.580 -2.590 21.001 1.00 38.24 ? 173 THR H CG2 1 ATOM 1206 N N . TRP A 1 160 ? 60.369 -2.633 25.282 1.00 35.51 ? 174 TRP H N 1 ATOM 1207 C CA . TRP A 1 160 ? 60.734 -2.179 26.619 1.00 39.35 ? 174 TRP H CA 1 ATOM 1208 C C . TRP A 1 160 ? 61.719 -1.028 26.488 1.00 45.79 ? 174 TRP H C 1 ATOM 1209 O O . TRP A 1 160 ? 62.716 -1.142 25.763 1.00 40.58 ? 174 TRP H O 1 ATOM 1210 C CB . TRP A 1 160 ? 61.354 -3.314 27.437 1.00 36.08 ? 174 TRP H CB 1 ATOM 1211 C CG . TRP A 1 160 ? 60.395 -4.401 27.815 1.00 35.79 ? 174 TRP H CG 1 ATOM 1212 C CD1 . TRP A 1 160 ? 60.169 -5.570 27.146 1.00 33.47 ? 174 TRP H CD1 1 ATOM 1213 C CD2 . TRP A 1 160 ? 59.546 -4.433 28.972 1.00 34.68 ? 174 TRP H CD2 1 ATOM 1214 N NE1 . TRP A 1 160 ? 59.225 -6.313 27.795 1.00 36.18 ? 174 TRP H NE1 1 ATOM 1215 C CE2 . TRP A 1 160 ? 58.828 -5.646 28.927 1.00 34.50 ? 174 TRP H CE2 1 ATOM 1216 C CE3 . TRP A 1 160 ? 59.315 -3.550 30.031 1.00 35.11 ? 174 TRP H CE3 1 ATOM 1217 C CZ2 . TRP A 1 160 ? 57.895 -6.001 29.905 1.00 36.42 ? 174 TRP H CZ2 1 ATOM 1218 C CZ3 . TRP A 1 160 ? 58.390 -3.906 31.005 1.00 35.75 ? 174 TRP H CZ3 1 ATOM 1219 C CH2 . TRP A 1 160 ? 57.690 -5.118 30.935 1.00 34.41 ? 174 TRP H CH2 1 ATOM 1220 N N . ASN A 1 161 ? 61.451 0.072 27.200 1.00 39.89 ? 175 ASN H N 1 ATOM 1221 C CA . ASN A 1 161 ? 62.265 1.284 27.110 1.00 40.56 ? 175 ASN H CA 1 ATOM 1222 C C . ASN A 1 161 ? 62.508 1.663 25.651 1.00 41.43 ? 175 ASN H C 1 ATOM 1223 O O . ASN A 1 161 ? 63.628 1.982 25.242 1.00 43.45 ? 175 ASN H O 1 ATOM 1224 C CB . ASN A 1 161 ? 63.583 1.120 27.871 1.00 41.99 ? 175 ASN H CB 1 ATOM 1225 C CG . ASN A 1 161 ? 63.383 1.194 29.373 1.00 58.06 ? 175 ASN H CG 1 ATOM 1226 O OD1 . ASN A 1 161 ? 62.272 1.444 29.829 1.00 41.28 ? 175 ASN H OD1 1 ATOM 1227 N ND2 . ASN A 1 161 ? 64.447 0.977 30.144 1.00 43.21 ? 175 ASN H ND2 1 ATOM 1228 N N . SER A 1 162 ? 61.432 1.596 24.860 1.00 40.04 ? 176 SER H N 1 ATOM 1229 C CA . SER A 1 162 ? 61.439 1.982 23.443 1.00 43.52 ? 176 SER H CA 1 ATOM 1230 C C . SER A 1 162 ? 62.430 1.156 22.632 1.00 49.84 ? 176 SER H C 1 ATOM 1231 O O . SER A 1 162 ? 62.944 1.615 21.603 1.00 48.01 ? 176 SER H O 1 ATOM 1232 C CB . SER A 1 162 ? 61.726 3.478 23.276 1.00 51.99 ? 176 SER H CB 1 ATOM 1233 O OG . SER A 1 162 ? 60.801 4.251 24.023 1.00 63.02 ? 176 SER H OG 1 ATOM 1234 N N . GLY A 1 163 ? 62.696 -0.069 23.083 1.00 43.55 ? 177 GLY H N 1 ATOM 1235 C CA . GLY A 1 163 ? 63.626 -0.956 22.424 1.00 44.80 ? 177 GLY H CA 1 ATOM 1236 C C . GLY A 1 163 ? 65.032 -0.936 22.976 1.00 49.71 ? 177 GLY H C 1 ATOM 1237 O O . GLY A 1 163 ? 65.832 -1.806 22.607 1.00 47.90 ? 177 GLY H O 1 ATOM 1238 N N . SER A 1 164 ? 65.364 0.033 23.841 1.00 45.81 ? 178 SER H N 1 ATOM 1239 C CA . SER A 1 164 ? 66.699 0.078 24.431 1.00 53.23 ? 178 SER H CA 1 ATOM 1240 C C . SER A 1 164 ? 66.980 -1.157 25.270 1.00 57.03 ? 178 SER H C 1 ATOM 1241 O O . SER A 1 164 ? 68.136 -1.577 25.396 1.00 56.70 ? 178 SER H O 1 ATOM 1242 C CB . SER A 1 164 ? 66.859 1.333 25.292 1.00 53.69 ? 178 SER H CB 1 ATOM 1243 O OG . SER A 1 164 ? 66.719 2.507 24.510 1.00 62.07 ? 178 SER H OG 1 ATOM 1244 N N . LEU A 1 165 ? 65.940 -1.741 25.855 1.00 52.83 ? 179 LEU H N 1 ATOM 1245 C CA . LEU A 1 165 ? 66.051 -2.925 26.693 1.00 49.90 ? 179 LEU H CA 1 ATOM 1246 C C . LEU A 1 165 ? 65.553 -4.124 25.886 1.00 48.53 ? 179 LEU H C 1 ATOM 1247 O O . LEU A 1 165 ? 64.348 -4.264 25.655 1.00 51.16 ? 179 LEU H O 1 ATOM 1248 C CB . LEU A 1 165 ? 65.246 -2.731 27.977 1.00 45.72 ? 179 LEU H CB 1 ATOM 1249 C CG . LEU A 1 165 ? 65.392 -3.751 29.099 1.00 52.45 ? 179 LEU H CG 1 ATOM 1250 C CD1 . LEU A 1 165 ? 66.851 -3.930 29.453 1.00 53.30 ? 179 LEU H CD1 1 ATOM 1251 C CD2 . LEU A 1 165 ? 64.599 -3.277 30.315 1.00 47.30 ? 179 LEU H CD2 1 ATOM 1252 N N . SER A 1 166 ? 66.481 -4.979 25.449 1.00 46.73 ? 180 SER H N 1 ATOM 1253 C CA . SER A 1 166 ? 66.122 -6.156 24.660 1.00 47.05 ? 180 SER H CA 1 ATOM 1254 C C . SER A 1 166 ? 66.681 -7.433 25.278 1.00 50.96 ? 180 SER H C 1 ATOM 1255 O O . SER A 1 166 ? 66.139 -8.523 25.059 1.00 54.43 ? 180 SER H O 1 ATOM 1256 C CB . SER A 1 166 ? 66.612 -5.998 23.214 1.00 47.21 ? 180 SER H CB 1 ATOM 1257 O OG . SER A 1 166 ? 67.969 -5.601 23.191 1.00 48.34 ? 180 SER H OG 1 ATOM 1258 N N . SER A 1 167 ? 67.763 -7.314 26.047 1.00 44.75 ? 181 SER H N 1 ATOM 1259 C CA . SER A 1 167 ? 68.302 -8.462 26.766 1.00 51.13 ? 181 SER H CA 1 ATOM 1260 C C . SER A 1 167 ? 67.384 -8.843 27.917 1.00 46.96 ? 181 SER H C 1 ATOM 1261 O O . SER A 1 167 ? 66.808 -7.976 28.581 1.00 48.89 ? 181 SER H O 1 ATOM 1262 C CB . SER A 1 167 ? 69.692 -8.151 27.315 1.00 53.50 ? 181 SER H CB 1 ATOM 1263 O OG . SER A 1 167 ? 70.526 -7.603 26.313 1.00 72.13 ? 181 SER H OG 1 ATOM 1264 N N . GLY A 1 168 ? 67.259 -10.146 28.162 1.00 50.48 ? 182 GLY H N 1 ATOM 1265 C CA . GLY A 1 168 ? 66.452 -10.606 29.279 1.00 41.76 ? 182 GLY H CA 1 ATOM 1266 C C . GLY A 1 168 ? 64.962 -10.484 29.065 1.00 40.02 ? 182 GLY H C 1 ATOM 1267 O O . GLY A 1 168 ? 64.195 -10.518 30.037 1.00 38.85 ? 182 GLY H O 1 ATOM 1268 N N . VAL A 1 169 ? 64.530 -10.352 27.814 1.00 35.89 ? 183 VAL H N 1 ATOM 1269 C CA . VAL A 1 169 ? 63.131 -10.157 27.456 1.00 37.81 ? 183 VAL H CA 1 ATOM 1270 C C . VAL A 1 169 ? 62.589 -11.445 26.853 1.00 32.13 ? 183 VAL H C 1 ATOM 1271 O O . VAL A 1 169 ? 63.228 -12.058 25.989 1.00 32.18 ? 183 VAL H O 1 ATOM 1272 C CB . VAL A 1 169 ? 62.973 -8.994 26.455 1.00 37.87 ? 183 VAL H CB 1 ATOM 1273 C CG1 . VAL A 1 169 ? 61.523 -8.898 25.948 1.00 36.23 ? 183 VAL H CG1 1 ATOM 1274 C CG2 . VAL A 1 169 ? 63.426 -7.683 27.076 1.00 36.96 ? 183 VAL H CG2 1 ATOM 1275 N N . HIS A 1 170 ? 61.398 -11.835 27.285 1.00 30.93 ? 184 HIS H N 1 ATOM 1276 C CA . HIS A 1 170 ? 60.626 -12.882 26.636 1.00 33.77 ? 184 HIS H CA 1 ATOM 1277 C C . HIS A 1 170 ? 59.276 -12.293 26.273 1.00 33.29 ? 184 HIS H C 1 ATOM 1278 O O . HIS A 1 170 ? 58.505 -11.914 27.158 1.00 33.62 ? 184 HIS H O 1 ATOM 1279 C CB . HIS A 1 170 ? 60.459 -14.103 27.544 1.00 32.97 ? 184 HIS H CB 1 ATOM 1280 C CG . HIS A 1 170 ? 61.749 -14.787 27.871 1.00 37.39 ? 184 HIS H CG 1 ATOM 1281 N ND1 . HIS A 1 170 ? 62.477 -15.490 26.934 1.00 40.30 ? 184 HIS H ND1 1 ATOM 1282 C CD2 . HIS A 1 170 ? 62.441 -14.878 29.031 1.00 42.27 ? 184 HIS H CD2 1 ATOM 1283 C CE1 . HIS A 1 170 ? 63.567 -15.976 27.502 1.00 45.53 ? 184 HIS H CE1 1 ATOM 1284 N NE2 . HIS A 1 170 ? 63.566 -15.625 28.775 1.00 48.69 ? 184 HIS H NE2 1 ATOM 1285 N N . THR A 1 171 ? 58.987 -12.205 24.981 1.00 30.94 ? 185 THR H N 1 ATOM 1286 C CA . THR A 1 171 ? 57.678 -11.745 24.540 1.00 30.70 ? 185 THR H CA 1 ATOM 1287 C C . THR A 1 171 ? 56.936 -12.929 23.937 1.00 33.05 ? 185 THR H C 1 ATOM 1288 O O . THR A 1 171 ? 57.427 -13.561 22.992 1.00 31.53 ? 185 THR H O 1 ATOM 1289 C CB . THR A 1 171 ? 57.813 -10.583 23.560 1.00 32.65 ? 185 THR H CB 1 ATOM 1290 O OG1 . THR A 1 171 ? 58.411 -9.476 24.249 1.00 34.39 ? 185 THR H OG1 1 ATOM 1291 C CG2 . THR A 1 171 ? 56.447 -10.166 23.039 1.00 34.73 ? 185 THR H CG2 1 ATOM 1292 N N . PHE A 1 172 ? 55.768 -13.227 24.484 1.00 26.71 ? 186 PHE H N 1 ATOM 1293 C CA . PHE A 1 172 ? 55.124 -14.488 24.154 1.00 29.55 ? 186 PHE H CA 1 ATOM 1294 C C . PHE A 1 172 ? 54.141 -14.326 22.993 1.00 36.28 ? 186 PHE H C 1 ATOM 1295 O O . PHE A 1 172 ? 53.578 -13.246 22.791 1.00 32.52 ? 186 PHE H O 1 ATOM 1296 C CB . PHE A 1 172 ? 54.421 -15.044 25.393 1.00 28.57 ? 186 PHE H CB 1 ATOM 1297 C CG . PHE A 1 172 ? 55.382 -15.371 26.501 1.00 29.19 ? 186 PHE H CG 1 ATOM 1298 C CD1 . PHE A 1 172 ? 55.791 -14.396 27.401 1.00 31.84 ? 186 PHE H CD1 1 ATOM 1299 C CD2 . PHE A 1 172 ? 55.934 -16.636 26.597 1.00 30.61 ? 186 PHE H CD2 1 ATOM 1300 C CE1 . PHE A 1 172 ? 56.709 -14.685 28.404 1.00 31.09 ? 186 PHE H CE1 1 ATOM 1301 C CE2 . PHE A 1 172 ? 56.848 -16.933 27.593 1.00 31.22 ? 186 PHE H CE2 1 ATOM 1302 C CZ . PHE A 1 172 ? 57.232 -15.958 28.502 1.00 31.09 ? 186 PHE H CZ 1 ATOM 1303 N N . PRO A 1 173 ? 53.974 -15.366 22.175 1.00 29.67 ? 187 PRO H N 1 ATOM 1304 C CA . PRO A 1 173 ? 52.992 -15.293 21.088 1.00 33.11 ? 187 PRO H CA 1 ATOM 1305 C C . PRO A 1 173 ? 51.605 -14.970 21.617 1.00 31.21 ? 187 PRO H C 1 ATOM 1306 O O . PRO A 1 173 ? 51.178 -15.481 22.656 1.00 30.80 ? 187 PRO H O 1 ATOM 1307 C CB . PRO A 1 173 ? 53.039 -16.696 20.469 1.00 34.02 ? 187 PRO H CB 1 ATOM 1308 C CG . PRO A 1 173 ? 54.407 -17.187 20.776 1.00 32.76 ? 187 PRO H CG 1 ATOM 1309 C CD . PRO A 1 173 ? 54.750 -16.618 22.135 1.00 30.46 ? 187 PRO H CD 1 ATOM 1310 N N . ALA A 1 174 ? 50.904 -14.106 20.887 1.00 29.23 ? 188 ALA H N 1 ATOM 1311 C CA . ALA A 1 174 ? 49.525 -13.775 21.220 1.00 31.64 ? 188 ALA H CA 1 ATOM 1312 C C . ALA A 1 174 ? 48.647 -15.014 21.146 1.00 33.90 ? 188 ALA H C 1 ATOM 1313 O O . ALA A 1 174 ? 48.819 -15.868 20.269 1.00 30.25 ? 188 ALA H O 1 ATOM 1314 C CB . ALA A 1 174 ? 48.993 -12.707 20.261 1.00 32.29 ? 188 ALA H CB 1 ATOM 1315 N N . VAL A 1 175 ? 47.687 -15.109 22.065 1.00 27.03 ? 189 VAL H N 1 ATOM 1316 C CA . VAL A 1 175 ? 46.752 -16.230 22.106 1.00 31.44 ? 189 VAL H CA 1 ATOM 1317 C C . VAL A 1 175 ? 45.334 -15.686 21.987 1.00 31.61 ? 189 VAL H C 1 ATOM 1318 O O . VAL A 1 175 ? 44.978 -14.713 22.660 1.00 33.48 ? 189 VAL H O 1 ATOM 1319 C CB . VAL A 1 175 ? 46.924 -17.069 23.384 1.00 36.80 ? 189 VAL H CB 1 ATOM 1320 C CG1 . VAL A 1 175 ? 45.859 -18.160 23.450 1.00 35.59 ? 189 VAL H CG1 1 ATOM 1321 C CG2 . VAL A 1 175 ? 48.309 -17.689 23.409 1.00 38.77 ? 189 VAL H CG2 1 ATOM 1322 N N . LEU A 1 176 ? 44.537 -16.299 21.111 1.00 32.25 ? 190 LEU H N 1 ATOM 1323 C CA . LEU A 1 176 ? 43.181 -15.851 20.824 1.00 36.97 ? 190 LEU H CA 1 ATOM 1324 C C . LEU A 1 176 ? 42.179 -16.621 21.679 1.00 41.51 ? 190 LEU H C 1 ATOM 1325 O O . LEU A 1 176 ? 42.233 -17.853 21.749 1.00 47.49 ? 190 LEU H O 1 ATOM 1326 C CB . LEU A 1 176 ? 42.857 -16.039 19.338 1.00 33.81 ? 190 LEU H CB 1 ATOM 1327 C CG . LEU A 1 176 ? 41.504 -15.526 18.839 1.00 38.66 ? 190 LEU H CG 1 ATOM 1328 C CD1 . LEU A 1 176 ? 41.455 -14.008 18.886 1.00 32.22 ? 190 LEU H CD1 1 ATOM 1329 C CD2 . LEU A 1 176 ? 41.221 -16.029 17.421 1.00 41.07 ? 190 LEU H CD2 1 ATOM 1330 N N . GLN A 1 177 ? 41.267 -15.895 22.329 1.00 35.48 ? 191 GLN H N 1 ATOM 1331 C CA . GLN A 1 177 ? 40.136 -16.511 23.021 1.00 40.41 ? 191 GLN H CA 1 ATOM 1332 C C . GLN A 1 177 ? 38.901 -15.644 22.815 1.00 34.82 ? 191 GLN H C 1 ATOM 1333 O O . GLN A 1 177 ? 38.930 -14.448 23.122 1.00 36.38 ? 191 GLN H O 1 ATOM 1334 C CB . GLN A 1 177 ? 40.415 -16.695 24.520 1.00 42.25 ? 191 GLN H CB 1 ATOM 1335 C CG . GLN A 1 177 ? 39.219 -17.270 25.287 1.00 42.94 ? 191 GLN H CG 1 ATOM 1336 C CD . GLN A 1 177 ? 39.508 -17.536 26.757 1.00 66.70 ? 191 GLN H CD 1 ATOM 1337 O OE1 . GLN A 1 177 ? 40.640 -17.829 27.140 1.00 70.28 ? 191 GLN H OE1 1 ATOM 1338 N NE2 . GLN A 1 177 ? 38.476 -17.439 27.588 1.00 69.32 ? 191 GLN H NE2 1 ATOM 1339 N N . SER A 1 178 ? 37.823 -16.249 22.311 1.00 36.80 ? 192 SER H N 1 ATOM 1340 C CA . SER A 1 178 ? 36.552 -15.560 22.060 1.00 39.19 ? 192 SER H CA 1 ATOM 1341 C C . SER A 1 178 ? 36.765 -14.226 21.340 1.00 44.92 ? 192 SER H C 1 ATOM 1342 O O . SER A 1 178 ? 36.258 -13.178 21.752 1.00 41.28 ? 192 SER H O 1 ATOM 1343 C CB . SER A 1 178 ? 35.776 -15.356 23.364 1.00 45.67 ? 192 SER H CB 1 ATOM 1344 O OG . SER A 1 178 ? 35.586 -16.591 24.033 1.00 60.74 ? 192 SER H OG 1 ATOM 1345 N N . ASP A 1 179 ? 37.551 -14.270 20.262 1.00 38.26 ? 193 ASP H N 1 ATOM 1346 C CA . ASP A 1 179 ? 37.759 -13.144 19.350 1.00 34.42 ? 193 ASP H CA 1 ATOM 1347 C C . ASP A 1 179 ? 38.565 -12.000 19.958 1.00 38.04 ? 193 ASP H C 1 ATOM 1348 O O . ASP A 1 179 ? 38.575 -10.893 19.407 1.00 36.44 ? 193 ASP H O 1 ATOM 1349 C CB . ASP A 1 179 ? 36.426 -12.611 18.819 1.00 38.98 ? 193 ASP H CB 1 ATOM 1350 C CG . ASP A 1 179 ? 35.735 -13.598 17.892 1.00 48.11 ? 193 ASP H CG 1 ATOM 1351 O OD1 . ASP A 1 179 ? 36.439 -14.381 17.216 1.00 50.10 ? 193 ASP H OD1 1 ATOM 1352 O OD2 . ASP A 1 179 ? 34.489 -13.586 17.843 1.00 49.88 ? 193 ASP H OD2 1 ATOM 1353 N N . LEU A 1 180 ? 39.268 -12.234 21.066 1.00 31.56 ? 194 LEU H N 1 ATOM 1354 C CA . LEU A 1 180 ? 40.161 -11.235 21.638 1.00 31.27 ? 194 LEU H CA 1 ATOM 1355 C C . LEU A 1 180 ? 41.502 -11.873 21.975 1.00 29.88 ? 194 LEU H C 1 ATOM 1356 O O . LEU A 1 180 ? 41.558 -13.015 22.437 1.00 33.67 ? 194 LEU H O 1 ATOM 1357 C CB . LEU A 1 180 ? 39.556 -10.598 22.901 1.00 37.60 ? 194 LEU H CB 1 ATOM 1358 C CG . LEU A 1 180 ? 38.232 -9.864 22.704 1.00 39.48 ? 194 LEU H CG 1 ATOM 1359 C CD1 . LEU A 1 180 ? 37.613 -9.520 24.058 1.00 46.16 ? 194 LEU H CD1 1 ATOM 1360 C CD2 . LEU A 1 180 ? 38.445 -8.615 21.855 1.00 35.41 ? 194 LEU H CD2 1 ATOM 1361 N N . TYR A 1 181 ? 42.579 -11.125 21.755 1.00 28.15 ? 195 TYR H N 1 ATOM 1362 C CA . TYR A 1 181 ? 43.926 -11.617 22.000 1.00 29.57 ? 195 TYR H CA 1 ATOM 1363 C C . TYR A 1 181 ? 44.445 -11.221 23.373 1.00 34.90 ? 195 TYR H C 1 ATOM 1364 O O . TYR A 1 181 ? 44.131 -10.148 23.894 1.00 35.21 ? 195 TYR H O 1 ATOM 1365 C CB . TYR A 1 181 ? 44.892 -11.079 20.958 1.00 27.18 ? 195 TYR H CB 1 ATOM 1366 C CG . TYR A 1 181 ? 44.828 -11.817 19.652 1.00 28.73 ? 195 TYR H CG 1 ATOM 1367 C CD1 . TYR A 1 181 ? 45.434 -13.062 19.510 1.00 29.29 ? 195 TYR H CD1 1 ATOM 1368 C CD2 . TYR A 1 181 ? 44.172 -11.272 18.559 1.00 33.74 ? 195 TYR H CD2 1 ATOM 1369 C CE1 . TYR A 1 181 ? 45.394 -13.741 18.307 1.00 30.20 ? 195 TYR H CE1 1 ATOM 1370 C CE2 . TYR A 1 181 ? 44.120 -11.954 17.348 1.00 31.44 ? 195 TYR H CE2 1 ATOM 1371 C CZ . TYR A 1 181 ? 44.733 -13.183 17.234 1.00 34.14 ? 195 TYR H CZ 1 ATOM 1372 O OH . TYR A 1 181 ? 44.682 -13.850 16.032 1.00 37.80 ? 195 TYR H OH 1 ATOM 1373 N N . THR A 1 182 ? 45.259 -12.107 23.944 1.00 32.38 ? 196 THR H N 1 ATOM 1374 C CA . THR A 1 182 ? 46.102 -11.816 25.096 1.00 32.83 ? 196 THR H CA 1 ATOM 1375 C C . THR A 1 182 ? 47.552 -11.978 24.676 1.00 29.01 ? 196 THR H C 1 ATOM 1376 O O . THR A 1 182 ? 47.906 -12.968 24.024 1.00 32.68 ? 196 THR H O 1 ATOM 1377 C CB . THR A 1 182 ? 45.821 -12.756 26.276 1.00 31.70 ? 196 THR H CB 1 ATOM 1378 O OG1 . THR A 1 182 ? 44.460 -12.628 26.702 1.00 39.26 ? 196 THR H OG1 1 ATOM 1379 C CG2 . THR A 1 182 ? 46.761 -12.439 27.451 1.00 36.03 ? 196 THR H CG2 1 ATOM 1380 N N . LEU A 1 183 ? 48.384 -11.023 25.055 1.00 25.49 ? 197 LEU H N 1 ATOM 1381 C CA . LEU A 1 183 ? 49.819 -11.107 24.846 1.00 25.41 ? 197 LEU H CA 1 ATOM 1382 C C . LEU A 1 183 ? 50.501 -10.669 26.135 1.00 32.99 ? 197 LEU H C 1 ATOM 1383 O O . LEU A 1 183 ? 49.970 -9.834 26.867 1.00 34.06 ? 197 LEU H O 1 ATOM 1384 C CB . LEU A 1 183 ? 50.256 -10.226 23.650 1.00 27.05 ? 197 LEU H CB 1 ATOM 1385 C CG . LEU A 1 183 ? 51.731 -10.121 23.303 1.00 29.54 ? 197 LEU H CG 1 ATOM 1386 C CD1 . LEU A 1 183 ? 51.915 -9.974 21.785 1.00 34.74 ? 197 LEU H CD1 1 ATOM 1387 C CD2 . LEU A 1 183 ? 52.319 -8.936 24.020 1.00 35.01 ? 197 LEU H CD2 1 ATOM 1388 N N . SER A 1 184 ? 51.667 -11.245 26.422 1.00 30.07 ? 198 SER H N 1 ATOM 1389 C CA . SER A 1 184 ? 52.424 -10.853 27.609 1.00 29.23 ? 198 SER H CA 1 ATOM 1390 C C . SER A 1 184 ? 53.910 -10.860 27.286 1.00 32.53 ? 198 SER H C 1 ATOM 1391 O O . SER A 1 184 ? 54.352 -11.446 26.292 1.00 28.94 ? 198 SER H O 1 ATOM 1392 C CB . SER A 1 184 ? 52.134 -11.776 28.810 1.00 28.04 ? 198 SER H CB 1 ATOM 1393 O OG . SER A 1 184 ? 52.610 -13.091 28.565 1.00 29.33 ? 198 SER H OG 1 ATOM 1394 N N . SER A 1 185 ? 54.675 -10.174 28.128 1.00 28.97 ? 199 SER H N 1 ATOM 1395 C CA . SER A 1 185 ? 56.120 -10.085 27.984 1.00 28.82 ? 199 SER H CA 1 ATOM 1396 C C . SER A 1 185 ? 56.723 -9.945 29.372 1.00 33.45 ? 199 SER H C 1 ATOM 1397 O O . SER A 1 185 ? 56.164 -9.250 30.225 1.00 32.77 ? 199 SER H O 1 ATOM 1398 C CB . SER A 1 185 ? 56.532 -8.890 27.117 1.00 29.01 ? 199 SER H CB 1 ATOM 1399 O OG . SER A 1 185 ? 57.944 -8.783 26.996 1.00 31.18 ? 199 SER H OG 1 ATOM 1400 N N . SER A 1 186 ? 57.860 -10.600 29.591 1.00 31.61 ? 200 SER H N 1 ATOM 1401 C CA . SER A 1 186 ? 58.601 -10.457 30.836 1.00 32.12 ? 200 SER H CA 1 ATOM 1402 C C . SER A 1 186 ? 59.978 -9.889 30.539 1.00 31.80 ? 200 SER H C 1 ATOM 1403 O O . SER A 1 186 ? 60.545 -10.111 29.464 1.00 32.28 ? 200 SER H O 1 ATOM 1404 C CB . SER A 1 186 ? 58.738 -11.798 31.575 1.00 31.32 ? 200 SER H CB 1 ATOM 1405 O OG . SER A 1 186 ? 59.597 -12.681 30.866 1.00 36.27 ? 200 SER H OG 1 ATOM 1406 N N . VAL A 1 187 ? 60.524 -9.149 31.499 1.00 31.69 ? 201 VAL H N 1 ATOM 1407 C CA . VAL A 1 187 ? 61.878 -8.630 31.378 1.00 33.62 ? 201 VAL H CA 1 ATOM 1408 C C . VAL A 1 187 ? 62.576 -8.858 32.710 1.00 37.43 ? 201 VAL H C 1 ATOM 1409 O O . VAL A 1 187 ? 61.988 -8.627 33.774 1.00 35.68 ? 201 VAL H O 1 ATOM 1410 C CB . VAL A 1 187 ? 61.898 -7.143 30.959 1.00 34.52 ? 201 VAL H CB 1 ATOM 1411 C CG1 . VAL A 1 187 ? 61.211 -6.258 31.992 1.00 36.75 ? 201 VAL H CG1 1 ATOM 1412 C CG2 . VAL A 1 187 ? 63.324 -6.675 30.696 1.00 40.79 ? 201 VAL H CG2 1 ATOM 1413 N N . THR A 1 188 ? 63.804 -9.368 32.655 1.00 39.15 ? 202 THR H N 1 ATOM 1414 C CA . THR A 1 188 ? 64.566 -9.694 33.857 1.00 40.10 ? 202 THR H CA 1 ATOM 1415 C C . THR A 1 188 ? 65.817 -8.828 33.888 1.00 40.38 ? 202 THR H C 1 ATOM 1416 O O . THR A 1 188 ? 66.608 -8.836 32.937 1.00 47.44 ? 202 THR H O 1 ATOM 1417 C CB . THR A 1 188 ? 64.923 -11.182 33.893 1.00 41.63 ? 202 THR H CB 1 ATOM 1418 O OG1 . THR A 1 188 ? 63.719 -11.962 33.845 1.00 41.16 ? 202 THR H OG1 1 ATOM 1419 C CG2 . THR A 1 188 ? 65.664 -11.523 35.177 1.00 36.90 ? 202 THR H CG2 1 ATOM 1420 N N . VAL A 1 189 ? 65.970 -8.051 34.960 1.00 39.97 ? 203 VAL H N 1 ATOM 1421 C CA . VAL A 1 189 ? 67.114 -7.171 35.143 1.00 43.42 ? 203 VAL H CA 1 ATOM 1422 C C . VAL A 1 189 ? 67.685 -7.426 36.529 1.00 50.05 ? 203 VAL H C 1 ATOM 1423 O O . VAL A 1 189 ? 67.037 -8.016 37.394 1.00 50.92 ? 203 VAL H O 1 ATOM 1424 C CB . VAL A 1 189 ? 66.755 -5.677 34.979 1.00 48.09 ? 203 VAL H CB 1 ATOM 1425 C CG1 . VAL A 1 189 ? 66.226 -5.396 33.580 1.00 46.46 ? 203 VAL H CG1 1 ATOM 1426 C CG2 . VAL A 1 189 ? 65.744 -5.253 36.025 1.00 48.84 ? 203 VAL H CG2 1 ATOM 1427 N N . THR A 1 190 ? 68.914 -6.968 36.735 1.00 51.54 ? 204 THR H N 1 ATOM 1428 C CA . THR A 1 190 ? 69.548 -7.131 38.035 1.00 49.88 ? 204 THR H CA 1 ATOM 1429 C C . THR A 1 190 ? 68.855 -6.274 39.094 1.00 54.02 ? 204 THR H C 1 ATOM 1430 O O . THR A 1 190 ? 68.337 -5.189 38.813 1.00 46.57 ? 204 THR H O 1 ATOM 1431 C CB . THR A 1 190 ? 71.031 -6.770 37.952 1.00 58.38 ? 204 THR H CB 1 ATOM 1432 O OG1 . THR A 1 190 ? 71.168 -5.396 37.574 1.00 71.07 ? 204 THR H OG1 1 ATOM 1433 C CG2 . THR A 1 190 ? 71.728 -7.643 36.920 1.00 53.34 ? 204 THR H CG2 1 ATOM 1434 N N . SER A 1 191 ? 68.856 -6.780 40.333 1.00 61.75 ? 205 SER H N 1 ATOM 1435 C CA . SER A 1 191 ? 68.160 -6.105 41.427 1.00 72.89 ? 205 SER H CA 1 ATOM 1436 C C . SER A 1 191 ? 68.632 -4.668 41.613 1.00 67.03 ? 205 SER H C 1 ATOM 1437 O O . SER A 1 191 ? 67.839 -3.804 42.001 1.00 65.55 ? 205 SER H O 1 ATOM 1438 C CB . SER A 1 191 ? 68.340 -6.889 42.728 1.00 79.45 ? 205 SER H CB 1 ATOM 1439 O OG . SER A 1 191 ? 67.741 -8.171 42.633 1.00 84.66 ? 205 SER H OG 1 ATOM 1440 N N . SER A 1 192 ? 69.909 -4.392 41.339 1.00 72.91 ? 206 SER H N 1 ATOM 1441 C CA . SER A 1 192 ? 70.420 -3.028 41.456 1.00 78.41 ? 206 SER H CA 1 ATOM 1442 C C . SER A 1 192 ? 69.746 -2.097 40.454 1.00 77.29 ? 206 SER H C 1 ATOM 1443 O O . SER A 1 192 ? 69.394 -0.960 40.788 1.00 80.33 ? 206 SER H O 1 ATOM 1444 C CB . SER A 1 192 ? 71.934 -3.018 41.252 1.00 80.53 ? 206 SER H CB 1 ATOM 1445 O OG . SER A 1 192 ? 72.499 -4.284 41.545 1.00 82.11 ? 206 SER H OG 1 ATOM 1446 N N . THR A 1 193 ? 69.563 -2.575 39.221 1.00 69.79 ? 207 THR H N 1 ATOM 1447 C CA . THR A 1 193 ? 69.019 -1.773 38.126 1.00 68.52 ? 207 THR H CA 1 ATOM 1448 C C . THR A 1 193 ? 67.722 -1.069 38.507 1.00 66.34 ? 207 THR H C 1 ATOM 1449 O O . THR A 1 193 ? 67.583 0.148 38.343 1.00 64.24 ? 207 THR H O 1 ATOM 1450 C CB . THR A 1 193 ? 68.777 -2.675 36.911 1.00 69.06 ? 207 THR H CB 1 ATOM 1451 O OG1 . THR A 1 193 ? 70.031 -3.091 36.357 1.00 78.36 ? 207 THR H OG1 1 ATOM 1452 C CG2 . THR A 1 193 ? 67.938 -1.961 35.843 1.00 70.45 ? 207 THR H CG2 1 ATOM 1453 N N . TRP A 1 194 ? 66.755 -1.831 39.005 1.00 63.08 ? 208 TRP H N 1 ATOM 1454 C CA . TRP A 1 194 ? 65.387 -1.352 39.163 1.00 51.58 ? 208 TRP H CA 1 ATOM 1455 C C . TRP A 1 194 ? 65.012 -1.290 40.640 1.00 56.40 ? 208 TRP H C 1 ATOM 1456 O O . TRP A 1 194 ? 65.361 -2.190 41.403 1.00 67.32 ? 208 TRP H O 1 ATOM 1457 C CB . TRP A 1 194 ? 64.440 -2.271 38.382 1.00 50.55 ? 208 TRP H CB 1 ATOM 1458 C CG . TRP A 1 194 ? 63.018 -1.842 38.364 1.00 42.96 ? 208 TRP H CG 1 ATOM 1459 C CD1 . TRP A 1 194 ? 62.443 -0.938 37.523 1.00 40.52 ? 208 TRP H CD1 1 ATOM 1460 C CD2 . TRP A 1 194 ? 61.983 -2.300 39.235 1.00 47.03 ? 208 TRP H CD2 1 ATOM 1461 N NE1 . TRP A 1 194 ? 61.106 -0.811 37.810 1.00 41.45 ? 208 TRP H NE1 1 ATOM 1462 C CE2 . TRP A 1 194 ? 60.799 -1.635 38.861 1.00 39.94 ? 208 TRP H CE2 1 ATOM 1463 C CE3 . TRP A 1 194 ? 61.944 -3.207 40.301 1.00 43.67 ? 208 TRP H CE3 1 ATOM 1464 C CZ2 . TRP A 1 194 ? 59.585 -1.849 39.510 1.00 44.28 ? 208 TRP H CZ2 1 ATOM 1465 C CZ3 . TRP A 1 194 ? 60.736 -3.426 40.942 1.00 41.82 ? 208 TRP H CZ3 1 ATOM 1466 C CH2 . TRP A 1 194 ? 59.573 -2.746 40.547 1.00 42.40 ? 208 TRP H CH2 1 ATOM 1467 N N . PRO A 1 195 ? 64.285 -0.237 41.050 1.00 48.90 ? 209 PRO H N 1 ATOM 1468 C CA . PRO A 1 195 ? 63.662 0.794 40.213 1.00 44.98 ? 209 PRO H CA 1 ATOM 1469 C C . PRO A 1 195 ? 64.484 2.051 39.934 1.00 46.80 ? 209 PRO H C 1 ATOM 1470 O O . PRO A 1 195 ? 63.907 2.985 39.382 1.00 50.78 ? 209 PRO H O 1 ATOM 1471 C CB . PRO A 1 195 ? 62.414 1.180 41.017 1.00 56.50 ? 209 PRO H CB 1 ATOM 1472 C CG . PRO A 1 195 ? 62.604 0.567 42.408 1.00 55.56 ? 209 PRO H CG 1 ATOM 1473 C CD . PRO A 1 195 ? 63.970 -0.027 42.468 1.00 56.47 ? 209 PRO H CD 1 ATOM 1474 N N . SER A 1 196 ? 65.772 2.088 40.290 1.00 48.39 ? 210 SER H N 1 ATOM 1475 C CA . SER A 1 196 ? 66.549 3.309 40.083 1.00 53.42 ? 210 SER H CA 1 ATOM 1476 C C . SER A 1 196 ? 66.619 3.675 38.604 1.00 52.69 ? 210 SER H C 1 ATOM 1477 O O . SER A 1 196 ? 66.580 4.858 38.245 1.00 53.31 ? 210 SER H O 1 ATOM 1478 C CB . SER A 1 196 ? 67.951 3.156 40.676 1.00 60.89 ? 210 SER H CB 1 ATOM 1479 O OG . SER A 1 196 ? 68.493 1.881 40.383 1.00 68.78 ? 210 SER H OG 1 ATOM 1480 N N . GLN A 1 197 ? 66.716 2.673 37.739 1.00 48.83 ? 211 GLN H N 1 ATOM 1481 C CA . GLN A 1 197 ? 66.581 2.847 36.298 1.00 54.57 ? 211 GLN H CA 1 ATOM 1482 C C . GLN A 1 197 ? 65.173 2.424 35.907 1.00 50.30 ? 211 GLN H C 1 ATOM 1483 O O . GLN A 1 197 ? 64.791 1.267 36.112 1.00 44.92 ? 211 GLN H O 1 ATOM 1484 C CB . GLN A 1 197 ? 67.630 2.025 35.553 1.00 49.81 ? 211 GLN H CB 1 ATOM 1485 C CG . GLN A 1 197 ? 69.057 2.373 35.966 1.00 64.65 ? 211 GLN H CG 1 ATOM 1486 C CD . GLN A 1 197 ? 70.101 1.517 35.276 1.00 78.88 ? 211 GLN H CD 1 ATOM 1487 O OE1 . GLN A 1 197 ? 69.929 1.108 34.124 1.00 87.10 ? 211 GLN H OE1 1 ATOM 1488 N NE2 . GLN A 1 197 ? 71.192 1.236 35.982 1.00 78.32 ? 211 GLN H NE2 1 ATOM 1489 N N . SER A 1 198 ? 64.392 3.361 35.384 1.00 46.15 ? 212 SER H N 1 ATOM 1490 C CA . SER A 1 198 ? 62.992 3.059 35.138 1.00 47.73 ? 212 SER H CA 1 ATOM 1491 C C . SER A 1 198 ? 62.859 2.063 33.991 1.00 47.00 ? 212 SER H C 1 ATOM 1492 O O . SER A 1 198 ? 63.703 1.992 33.093 1.00 42.67 ? 212 SER H O 1 ATOM 1493 C CB . SER A 1 198 ? 62.207 4.333 34.831 1.00 53.91 ? 212 SER H CB 1 ATOM 1494 O OG . SER A 1 198 ? 62.644 4.937 33.627 1.00 58.31 ? 212 SER H OG 1 ATOM 1495 N N . ILE A 1 199 ? 61.798 1.268 34.051 1.00 39.91 ? 213 ILE H N 1 ATOM 1496 C CA . ILE A 1 199 ? 61.493 0.272 33.035 1.00 42.69 ? 213 ILE H CA 1 ATOM 1497 C C . ILE A 1 199 ? 60.059 0.497 32.583 1.00 43.38 ? 213 ILE H C 1 ATOM 1498 O O . ILE A 1 199 ? 59.146 0.592 33.411 1.00 39.49 ? 213 ILE H O 1 ATOM 1499 C CB . ILE A 1 199 ? 61.703 -1.159 33.561 1.00 37.10 ? 213 ILE H CB 1 ATOM 1500 C CG1 . ILE A 1 199 ? 63.197 -1.421 33.746 1.00 42.92 ? 213 ILE H CG1 1 ATOM 1501 C CG2 . ILE A 1 199 ? 61.079 -2.192 32.615 1.00 35.28 ? 213 ILE H CG2 1 ATOM 1502 C CD1 . ILE A 1 199 ? 63.519 -2.806 34.221 1.00 46.57 ? 213 ILE H CD1 1 ATOM 1503 N N . THR A 1 200 ? 59.867 0.618 31.274 1.00 43.56 ? 214 THR H N 1 ATOM 1504 C CA . THR A 1 200 ? 58.578 0.988 30.716 1.00 35.53 ? 214 THR H CA 1 ATOM 1505 C C . THR A 1 200 ? 58.271 0.059 29.561 1.00 35.13 ? 214 THR H C 1 ATOM 1506 O O . THR A 1 200 ? 59.130 -0.168 28.707 1.00 37.32 ? 214 THR H O 1 ATOM 1507 C CB . THR A 1 200 ? 58.582 2.444 30.236 1.00 43.52 ? 214 THR H CB 1 ATOM 1508 O OG1 . THR A 1 200 ? 58.789 3.307 31.359 1.00 45.55 ? 214 THR H OG1 1 ATOM 1509 C CG2 . THR A 1 200 ? 57.272 2.812 29.550 1.00 37.45 ? 214 THR H CG2 1 ATOM 1510 N N . CYS A 1 201 ? 57.066 -0.492 29.548 1.00 35.60 ? 215 CYS H N 1 ATOM 1511 C CA A CYS A 1 201 ? 56.557 -1.294 28.449 0.50 41.34 ? 215 CYS H CA 1 ATOM 1512 C CA B CYS A 1 201 ? 56.635 -1.276 28.398 0.50 40.84 ? 215 CYS H CA 1 ATOM 1513 C C . CYS A 1 201 ? 55.839 -0.384 27.456 1.00 38.43 ? 215 CYS H C 1 ATOM 1514 O O . CYS A 1 201 ? 54.994 0.414 27.872 1.00 34.68 ? 215 CYS H O 1 ATOM 1515 C CB A CYS A 1 201 ? 55.610 -2.340 29.042 0.50 41.54 ? 215 CYS H CB 1 ATOM 1516 C CB B CYS A 1 201 ? 55.849 -2.545 28.772 0.50 42.89 ? 215 CYS H CB 1 ATOM 1517 S SG A CYS A 1 201 ? 54.560 -3.210 27.924 0.50 33.04 ? 215 CYS H SG 1 ATOM 1518 S SG B CYS A 1 201 ? 54.226 -2.431 29.546 0.50 42.76 ? 215 CYS H SG 1 ATOM 1519 N N . ASN A 1 202 ? 56.177 -0.480 26.174 1.00 36.67 ? 216 ASN H N 1 ATOM 1520 C CA . ASN A 1 202 ? 55.543 0.303 25.122 1.00 37.38 ? 216 ASN H CA 1 ATOM 1521 C C . ASN A 1 202 ? 54.733 -0.643 24.257 1.00 34.81 ? 216 ASN H C 1 ATOM 1522 O O . ASN A 1 202 ? 55.261 -1.659 23.794 1.00 38.21 ? 216 ASN H O 1 ATOM 1523 C CB . ASN A 1 202 ? 56.574 1.037 24.258 1.00 43.47 ? 216 ASN H CB 1 ATOM 1524 C CG . ASN A 1 202 ? 57.796 1.480 25.044 1.00 45.16 ? 216 ASN H CG 1 ATOM 1525 O OD1 . ASN A 1 202 ? 58.861 0.867 24.954 1.00 49.23 ? 216 ASN H OD1 1 ATOM 1526 N ND2 . ASN A 1 202 ? 57.655 2.560 25.801 1.00 42.06 ? 216 ASN H ND2 1 ATOM 1527 N N . VAL A 1 203 ? 53.461 -0.319 24.039 1.00 37.51 ? 217 VAL H N 1 ATOM 1528 C CA . VAL A 1 203 ? 52.563 -1.171 23.264 1.00 35.36 ? 217 VAL H CA 1 ATOM 1529 C C . VAL A 1 203 ? 51.944 -0.359 22.132 1.00 37.59 ? 217 VAL H C 1 ATOM 1530 O O . VAL A 1 203 ? 51.402 0.728 22.362 1.00 35.22 ? 217 VAL H O 1 ATOM 1531 C CB . VAL A 1 203 ? 51.471 -1.793 24.156 1.00 35.15 ? 217 VAL H CB 1 ATOM 1532 C CG1 . VAL A 1 203 ? 50.447 -2.527 23.307 1.00 31.56 ? 217 VAL H CG1 1 ATOM 1533 C CG2 . VAL A 1 203 ? 52.105 -2.754 25.145 1.00 35.79 ? 217 VAL H CG2 1 ATOM 1534 N N . ALA A 1 204 ? 52.027 -0.885 20.911 1.00 33.03 ? 218 ALA H N 1 ATOM 1535 C CA . ALA A 1 204 ? 51.455 -0.249 19.732 1.00 37.70 ? 218 ALA H CA 1 ATOM 1536 C C . ALA A 1 204 ? 50.458 -1.200 19.082 1.00 33.87 ? 218 ALA H C 1 ATOM 1537 O O . ALA A 1 204 ? 50.772 -2.373 18.853 1.00 35.50 ? 218 ALA H O 1 ATOM 1538 C CB . ALA A 1 204 ? 52.550 0.143 18.738 1.00 39.37 ? 218 ALA H CB 1 ATOM 1539 N N . HIS A 1 205 ? 49.254 -0.699 18.800 1.00 36.72 ? 219 HIS H N 1 ATOM 1540 C CA . HIS A 1 205 ? 48.222 -1.471 18.107 1.00 33.53 ? 219 HIS H CA 1 ATOM 1541 C C . HIS A 1 205 ? 47.663 -0.578 17.010 1.00 35.20 ? 219 HIS H C 1 ATOM 1542 O O . HIS A 1 205 ? 46.684 0.154 17.223 1.00 34.63 ? 219 HIS H O 1 ATOM 1543 C CB . HIS A 1 205 ? 47.126 -1.943 19.060 1.00 33.71 ? 219 HIS H CB 1 ATOM 1544 C CG . HIS A 1 205 ? 46.117 -2.848 18.421 1.00 33.52 ? 219 HIS H CG 1 ATOM 1545 N ND1 . HIS A 1 205 ? 44.766 -2.567 18.409 1.00 33.29 ? 219 HIS H ND1 1 ATOM 1546 C CD2 . HIS A 1 205 ? 46.260 -4.030 17.773 1.00 31.86 ? 219 HIS H CD2 1 ATOM 1547 C CE1 . HIS A 1 205 ? 44.121 -3.538 17.786 1.00 31.85 ? 219 HIS H CE1 1 ATOM 1548 N NE2 . HIS A 1 205 ? 45.005 -4.437 17.389 1.00 34.07 ? 219 HIS H NE2 1 ATOM 1549 N N . PRO A 1 206 ? 48.288 -0.589 15.831 1.00 34.88 ? 220 PRO H N 1 ATOM 1550 C CA . PRO A 1 206 ? 47.858 0.310 14.748 1.00 36.85 ? 220 PRO H CA 1 ATOM 1551 C C . PRO A 1 206 ? 46.394 0.169 14.365 1.00 33.81 ? 220 PRO H C 1 ATOM 1552 O O . PRO A 1 206 ? 45.770 1.179 14.014 1.00 35.66 ? 220 PRO H O 1 ATOM 1553 C CB . PRO A 1 206 ? 48.782 -0.086 13.587 1.00 42.88 ? 220 PRO H CB 1 ATOM 1554 C CG . PRO A 1 206 ? 50.017 -0.605 14.259 1.00 39.63 ? 220 PRO H CG 1 ATOM 1555 C CD . PRO A 1 206 ? 49.550 -1.283 15.530 1.00 32.30 ? 220 PRO H CD 1 ATOM 1556 N N . ALA A 1 207 ? 45.824 -1.040 14.446 1.00 36.37 ? 221 ALA H N 1 ATOM 1557 C CA . ALA A 1 207 ? 44.441 -1.243 14.019 1.00 36.91 ? 221 ALA H CA 1 ATOM 1558 C C . ALA A 1 207 ? 43.464 -0.406 14.835 1.00 40.78 ? 221 ALA H C 1 ATOM 1559 O O . ALA A 1 207 ? 42.410 -0.011 14.322 1.00 38.45 ? 221 ALA H O 1 ATOM 1560 C CB . ALA A 1 207 ? 44.073 -2.723 14.104 1.00 34.90 ? 221 ALA H CB 1 ATOM 1561 N N . SER A 1 208 ? 43.792 -0.113 16.093 1.00 34.50 ? 222 SER H N 1 ATOM 1562 C CA . SER A 1 208 ? 42.973 0.776 16.906 1.00 35.78 ? 222 SER H CA 1 ATOM 1563 C C . SER A 1 208 ? 43.647 2.118 17.174 1.00 40.40 ? 222 SER H C 1 ATOM 1564 O O . SER A 1 208 ? 43.157 2.886 18.016 1.00 44.27 ? 222 SER H O 1 ATOM 1565 C CB . SER A 1 208 ? 42.614 0.092 18.227 1.00 42.01 ? 222 SER H CB 1 ATOM 1566 O OG . SER A 1 208 ? 43.771 -0.174 18.999 1.00 39.24 ? 222 SER H OG 1 ATOM 1567 N N . SER A 1 209 ? 44.737 2.424 16.463 1.00 46.69 ? 223 SER H N 1 ATOM 1568 C CA . SER A 1 209 ? 45.606 3.585 16.716 1.00 45.34 ? 223 SER H CA 1 ATOM 1569 C C . SER A 1 209 ? 45.853 3.781 18.210 1.00 44.98 ? 223 SER H C 1 ATOM 1570 O O . SER A 1 209 ? 45.695 4.871 18.771 1.00 46.71 ? 223 SER H O 1 ATOM 1571 C CB . SER A 1 209 ? 45.056 4.858 16.065 1.00 59.70 ? 223 SER H CB 1 ATOM 1572 O OG . SER A 1 209 ? 43.760 5.182 16.525 1.00 63.66 ? 223 SER H OG 1 ATOM 1573 N N . THR A 1 210 ? 46.261 2.697 18.855 1.00 42.94 ? 224 THR H N 1 ATOM 1574 C CA . THR A 1 210 ? 46.629 2.711 20.259 1.00 43.05 ? 224 THR H CA 1 ATOM 1575 C C . THR A 1 210 ? 48.144 2.746 20.369 1.00 41.99 ? 224 THR H C 1 ATOM 1576 O O . THR A 1 210 ? 48.836 1.953 19.729 1.00 44.62 ? 224 THR H O 1 ATOM 1577 C CB . THR A 1 210 ? 46.074 1.483 20.979 1.00 43.86 ? 224 THR H CB 1 ATOM 1578 O OG1 . THR A 1 210 ? 44.643 1.480 20.876 1.00 42.28 ? 224 THR H OG1 1 ATOM 1579 C CG2 . THR A 1 210 ? 46.485 1.487 22.448 1.00 43.40 ? 224 THR H CG2 1 ATOM 1580 N N . LYS A 1 211 ? 48.652 3.673 21.173 1.00 43.11 ? 225 LYS H N 1 ATOM 1581 C CA . LYS A 1 211 ? 50.078 3.746 21.470 1.00 51.25 ? 225 LYS H CA 1 ATOM 1582 C C . LYS A 1 211 ? 50.174 4.096 22.945 1.00 54.81 ? 225 LYS H C 1 ATOM 1583 O O . LYS A 1 211 ? 49.785 5.196 23.343 1.00 54.10 ? 225 LYS H O 1 ATOM 1584 C CB . LYS A 1 211 ? 50.778 4.782 20.591 1.00 54.92 ? 225 LYS H CB 1 ATOM 1585 C CG . LYS A 1 211 ? 52.298 4.803 20.698 1.00 68.36 ? 225 LYS H CG 1 ATOM 1586 C CD . LYS A 1 211 ? 52.970 3.870 19.694 1.00 66.69 ? 225 LYS H CD 1 ATOM 1587 C CE . LYS A 1 211 ? 54.422 4.294 19.452 1.00 57.10 ? 225 LYS H CE 1 ATOM 1588 N NZ . LYS A 1 211 ? 55.239 3.222 18.818 1.00 60.82 ? 225 LYS H NZ 1 ATOM 1589 N N . VAL A 1 212 ? 50.654 3.156 23.755 1.00 42.61 ? 226 VAL H N 1 ATOM 1590 C CA . VAL A 1 212 ? 50.580 3.256 25.206 1.00 46.60 ? 226 VAL H CA 1 ATOM 1591 C C . VAL A 1 212 ? 51.960 2.993 25.792 1.00 41.80 ? 226 VAL H C 1 ATOM 1592 O O . VAL A 1 212 ? 52.646 2.052 25.378 1.00 41.85 ? 226 VAL H O 1 ATOM 1593 C CB . VAL A 1 212 ? 49.544 2.265 25.778 1.00 48.21 ? 226 VAL H CB 1 ATOM 1594 C CG1 . VAL A 1 212 ? 49.766 2.033 27.267 1.00 55.02 ? 226 VAL H CG1 1 ATOM 1595 C CG2 . VAL A 1 212 ? 48.140 2.781 25.528 1.00 50.75 ? 226 VAL H CG2 1 ATOM 1596 N N . ASP A 1 213 ? 52.364 3.826 26.749 1.00 42.97 ? 227 ASP H N 1 ATOM 1597 C CA . ASP A 1 213 ? 53.534 3.578 27.579 1.00 46.16 ? 227 ASP H CA 1 ATOM 1598 C C . ASP A 1 213 ? 53.048 3.297 28.991 1.00 54.42 ? 227 ASP H C 1 ATOM 1599 O O . ASP A 1 213 ? 52.229 4.051 29.525 1.00 48.82 ? 227 ASP H O 1 ATOM 1600 C CB . ASP A 1 213 ? 54.488 4.773 27.595 1.00 48.88 ? 227 ASP H CB 1 ATOM 1601 C CG . ASP A 1 213 ? 55.037 5.106 26.225 1.00 60.15 ? 227 ASP H CG 1 ATOM 1602 O OD1 . ASP A 1 213 ? 55.472 4.183 25.503 1.00 54.86 ? 227 ASP H OD1 1 ATOM 1603 O OD2 . ASP A 1 213 ? 55.035 6.303 25.875 1.00 75.65 ? 227 ASP H OD2 1 ATOM 1604 N N . LYS A 1 214 ? 53.538 2.216 29.589 1.00 40.90 ? 228 LYS H N 1 ATOM 1605 C CA . LYS A 1 214 ? 53.192 1.881 30.968 1.00 42.59 ? 228 LYS H CA 1 ATOM 1606 C C . LYS A 1 214 ? 54.482 1.679 31.755 1.00 42.04 ? 228 LYS H C 1 ATOM 1607 O O . LYS A 1 214 ? 55.178 0.676 31.573 1.00 39.92 ? 228 LYS H O 1 ATOM 1608 C CB . LYS A 1 214 ? 52.298 0.642 31.022 1.00 40.96 ? 228 LYS H CB 1 ATOM 1609 C CG . LYS A 1 214 ? 51.427 0.580 32.269 1.00 54.94 ? 228 LYS H CG 1 ATOM 1610 C CD . LYS A 1 214 ? 50.342 1.655 32.260 1.00 58.95 ? 228 LYS H CD 1 ATOM 1611 C CE . LYS A 1 214 ? 49.486 1.562 31.002 1.00 65.45 ? 228 LYS H CE 1 ATOM 1612 N NZ . LYS A 1 214 ? 48.346 2.521 31.013 1.00 66.33 ? 228 LYS H NZ 1 ATOM 1613 N N . LYS A 1 215 ? 54.814 2.641 32.614 1.00 42.49 ? 229 LYS H N 1 ATOM 1614 C CA . LYS A 1 215 ? 55.968 2.491 33.488 1.00 43.26 ? 229 LYS H CA 1 ATOM 1615 C C . LYS A 1 215 ? 55.675 1.453 34.569 1.00 47.73 ? 229 LYS H C 1 ATOM 1616 O O . LYS A 1 215 ? 54.570 1.402 35.115 1.00 46.36 ? 229 LYS H O 1 ATOM 1617 C CB . LYS A 1 215 ? 56.321 3.840 34.128 1.00 45.85 ? 229 LYS H CB 1 ATOM 1618 C CG . LYS A 1 215 ? 57.538 3.812 35.030 1.00 47.15 ? 229 LYS H CG 1 ATOM 1619 C CD . LYS A 1 215 ? 57.852 5.219 35.552 1.00 56.85 ? 229 LYS H CD 1 ATOM 1620 C CE . LYS A 1 215 ? 59.094 5.233 36.423 1.00 69.00 ? 229 LYS H CE 1 ATOM 1621 N NZ . LYS A 1 215 ? 59.396 6.599 36.939 1.00 75.86 ? 229 LYS H NZ 1 ATOM 1622 N N . ILE A 1 216 ? 56.663 0.611 34.870 1.00 41.42 ? 230 ILE H N 1 ATOM 1623 C CA . ILE A 1 216 ? 56.516 -0.405 35.908 1.00 40.20 ? 230 ILE H CA 1 ATOM 1624 C C . ILE A 1 216 ? 56.889 0.224 37.244 1.00 41.78 ? 230 ILE H C 1 ATOM 1625 O O . ILE A 1 216 ? 58.016 0.692 37.431 1.00 45.03 ? 230 ILE H O 1 ATOM 1626 C CB . ILE A 1 216 ? 57.380 -1.644 35.634 1.00 39.71 ? 230 ILE H CB 1 ATOM 1627 C CG1 . ILE A 1 216 ? 57.183 -2.149 34.193 1.00 39.29 ? 230 ILE H CG1 1 ATOM 1628 C CG2 . ILE A 1 216 ? 57.042 -2.737 36.654 1.00 38.49 ? 230 ILE H CG2 1 ATOM 1629 C CD1 . ILE A 1 216 ? 55.752 -2.463 33.841 1.00 37.17 ? 230 ILE H CD1 1 ATOM 1630 N N . GLU A 1 217 ? 55.952 0.222 38.178 1.00 40.97 ? 231 GLU H N 1 ATOM 1631 C CA . GLU A 1 217 ? 56.277 0.871 39.434 1.00 43.67 ? 231 GLU H CA 1 ATOM 1632 C C . GLU A 1 217 ? 56.192 -0.123 40.580 1.00 41.50 ? 231 GLU H C 1 ATOM 1633 O O . GLU A 1 217 ? 55.377 -1.048 40.544 1.00 39.73 ? 231 GLU H O 1 ATOM 1634 C CB . GLU A 1 217 ? 55.344 2.054 39.691 1.00 50.76 ? 231 GLU H CB 1 ATOM 1635 C CG . GLU A 1 217 ? 55.893 3.342 39.112 1.00 69.22 ? 231 GLU H CG 1 ATOM 1636 C CD . GLU A 1 217 ? 54.807 4.305 38.717 1.00 78.45 ? 231 GLU H CD 1 ATOM 1637 O OE1 . GLU A 1 217 ? 53.631 3.881 38.683 1.00 79.05 ? 231 GLU H OE1 1 ATOM 1638 O OE2 . GLU A 1 217 ? 55.131 5.479 38.437 1.00 75.75 ? 231 GLU H OE2 1 ATOM 1639 N N . PRO A 1 218 ? 57.034 0.035 41.602 1.00 42.83 ? 232 PRO H N 1 ATOM 1640 C CA . PRO A 1 218 ? 57.060 -0.952 42.690 1.00 44.14 ? 232 PRO H CA 1 ATOM 1641 C C . PRO A 1 218 ? 55.751 -0.978 43.471 1.00 41.30 ? 232 PRO H C 1 ATOM 1642 O O . PRO A 1 218 ? 55.113 0.052 43.693 1.00 43.00 ? 232 PRO H O 1 ATOM 1643 C CB . PRO A 1 218 ? 58.226 -0.485 43.569 1.00 47.30 ? 232 PRO H CB 1 ATOM 1644 C CG . PRO A 1 218 ? 59.054 0.375 42.705 1.00 54.28 ? 232 PRO H CG 1 ATOM 1645 C CD . PRO A 1 218 ? 58.130 1.011 41.705 1.00 48.62 ? 232 PRO H CD 1 ATOM 1646 N N . ARG A 1 219 ? 55.355 -2.175 43.886 1.00 39.86 ? 233 ARG H N 1 ATOM 1647 C CA . ARG A 1 219 ? 54.289 -2.332 44.870 1.00 39.56 ? 233 ARG H CA 1 ATOM 1648 C C . ARG A 1 219 ? 54.746 -3.256 45.990 1.00 39.49 ? 233 ARG H C 1 ATOM 1649 O O . ARG A 1 219 ? 53.947 -3.988 46.579 1.00 38.76 ? 233 ARG H O 1 ATOM 1650 C CB . ARG A 1 219 ? 53.003 -2.844 44.226 1.00 39.23 ? 233 ARG H CB 1 ATOM 1651 C CG . ARG A 1 219 ? 53.185 -4.032 43.327 1.00 37.75 ? 233 ARG H CG 1 ATOM 1652 C CD . ARG A 1 219 ? 51.839 -4.539 42.857 1.00 39.59 ? 233 ARG H CD 1 ATOM 1653 N NE . ARG A 1 219 ? 51.985 -5.575 41.847 1.00 40.86 ? 233 ARG H NE 1 ATOM 1654 C CZ . ARG A 1 219 ? 50.965 -6.208 41.278 1.00 39.04 ? 233 ARG H CZ 1 ATOM 1655 N NH1 . ARG A 1 219 ? 49.720 -5.917 41.647 1.00 39.12 ? 233 ARG H NH1 1 ATOM 1656 N NH2 . ARG A 1 219 ? 51.192 -7.132 40.350 1.00 40.58 ? 233 ARG H NH2 1 ATOM 1657 N N . GLY A 1 220 ? 56.041 -3.239 46.266 1.00 40.90 ? 234 GLY H N 1 ATOM 1658 C CA . GLY A 1 220 ? 56.637 -4.012 47.326 1.00 40.90 ? 234 GLY H CA 1 ATOM 1659 C C . GLY A 1 220 ? 58.054 -3.534 47.554 1.00 44.38 ? 234 GLY H C 1 ATOM 1660 O O . GLY A 1 220 ? 58.568 -2.684 46.813 1.00 46.39 ? 234 GLY H O 1 ATOM 1661 N N . PRO A 1 221 ? 58.710 -4.072 48.583 1.00 43.65 ? 235 PRO H N 1 ATOM 1662 C CA . PRO A 1 221 ? 60.070 -3.630 48.915 1.00 47.54 ? 235 PRO H CA 1 ATOM 1663 C C . PRO A 1 221 ? 61.039 -3.807 47.755 1.00 49.20 ? 235 PRO H C 1 ATOM 1664 O O . PRO A 1 221 ? 60.965 -4.776 46.994 1.00 53.37 ? 235 PRO H O 1 ATOM 1665 C CB . PRO A 1 221 ? 60.454 -4.527 50.096 1.00 53.27 ? 235 PRO H CB 1 ATOM 1666 C CG . PRO A 1 221 ? 59.151 -4.936 50.697 1.00 44.80 ? 235 PRO H CG 1 ATOM 1667 C CD . PRO A 1 221 ? 58.175 -5.028 49.569 1.00 42.91 ? 235 PRO H CD 1 ATOM 1668 N N . THR A 1 222 ? 61.956 -2.853 47.638 1.00 54.77 ? 236 THR H N 1 ATOM 1669 C CA . THR A 1 222 ? 62.983 -2.872 46.604 1.00 67.43 ? 236 THR H CA 1 ATOM 1670 C C . THR A 1 222 ? 64.363 -2.693 47.226 1.00 78.20 ? 236 THR H C 1 ATOM 1671 O O . THR A 1 222 ? 65.354 -3.208 46.713 1.00 88.01 ? 236 THR H O 1 ATOM 1672 C CB . THR A 1 222 ? 62.752 -1.771 45.557 1.00 65.01 ? 236 THR H CB 1 ATOM 1673 O OG1 . THR A 1 222 ? 62.615 -0.504 46.216 1.00 70.69 ? 236 THR H OG1 1 ATOM 1674 C CG2 . THR A 1 222 ? 61.496 -2.058 44.754 1.00 60.46 ? 236 THR H CG2 1 ATOM 1675 N N . SER B 2 1 ? 49.013 -30.838 -9.813 1.00 63.17 ? 25 SER L N 1 ATOM 1676 C CA . SER B 2 1 ? 50.135 -30.155 -9.182 1.00 56.14 ? 25 SER L CA 1 ATOM 1677 C C . SER B 2 1 ? 51.083 -31.152 -8.521 1.00 52.59 ? 25 SER L C 1 ATOM 1678 O O . SER B 2 1 ? 50.646 -32.135 -7.922 1.00 52.19 ? 25 SER L O 1 ATOM 1679 C CB . SER B 2 1 ? 49.631 -29.145 -8.153 1.00 56.61 ? 25 SER L CB 1 ATOM 1680 O OG . SER B 2 1 ? 48.591 -28.353 -8.700 1.00 62.95 ? 25 SER L OG 1 ATOM 1681 N N . ILE B 2 2 ? 52.384 -30.885 -8.633 1.00 43.34 ? 26 ILE L N 1 ATOM 1682 C CA . ILE B 2 2 ? 53.388 -31.772 -8.059 1.00 40.66 ? 26 ILE L CA 1 ATOM 1683 C C . ILE B 2 2 ? 53.385 -31.641 -6.541 1.00 38.81 ? 26 ILE L C 1 ATOM 1684 O O . ILE B 2 2 ? 53.362 -30.531 -5.993 1.00 40.73 ? 26 ILE L O 1 ATOM 1685 C CB . ILE B 2 2 ? 54.769 -31.462 -8.651 1.00 37.96 ? 26 ILE L CB 1 ATOM 1686 C CG1 . ILE B 2 2 ? 54.739 -31.684 -10.164 1.00 42.79 ? 26 ILE L CG1 1 ATOM 1687 C CG2 . ILE B 2 2 ? 55.838 -32.318 -7.985 1.00 42.66 ? 26 ILE L CG2 1 ATOM 1688 C CD1 . ILE B 2 2 ? 56.045 -31.425 -10.864 1.00 38.86 ? 26 ILE L CD1 1 ATOM 1689 N N . VAL B 2 3 ? 53.402 -32.779 -5.854 1.00 40.98 ? 27 VAL L N 1 ATOM 1690 C CA . VAL B 2 3 ? 53.442 -32.831 -4.398 1.00 42.33 ? 27 VAL L CA 1 ATOM 1691 C C . VAL B 2 3 ? 54.876 -33.104 -3.968 1.00 37.51 ? 27 VAL L C 1 ATOM 1692 O O . VAL B 2 3 ? 55.506 -34.049 -4.456 1.00 40.95 ? 27 VAL L O 1 ATOM 1693 C CB . VAL B 2 3 ? 52.493 -33.913 -3.856 1.00 46.38 ? 27 VAL L CB 1 ATOM 1694 C CG1 . VAL B 2 3 ? 52.548 -33.965 -2.329 1.00 46.37 ? 27 VAL L CG1 1 ATOM 1695 C CG2 . VAL B 2 3 ? 51.070 -33.670 -4.345 1.00 48.13 ? 27 VAL L CG2 1 ATOM 1696 N N . MET B 2 4 ? 55.395 -32.281 -3.060 1.00 35.31 ? 28 MET L N 1 ATOM 1697 C CA . MET B 2 4 ? 56.706 -32.503 -2.454 1.00 34.25 ? 28 MET L CA 1 ATOM 1698 C C . MET B 2 4 ? 56.487 -33.035 -1.038 1.00 33.87 ? 28 MET L C 1 ATOM 1699 O O . MET B 2 4 ? 55.980 -32.315 -0.171 1.00 35.80 ? 28 MET L O 1 ATOM 1700 C CB . MET B 2 4 ? 57.525 -31.214 -2.440 1.00 33.64 ? 28 MET L CB 1 ATOM 1701 C CG . MET B 2 4 ? 57.765 -30.620 -3.823 1.00 31.91 ? 28 MET L CG 1 ATOM 1702 S SD . MET B 2 4 ? 58.805 -31.694 -4.831 1.00 37.27 ? 28 MET L SD 1 ATOM 1703 C CE . MET B 2 4 ? 60.423 -31.034 -4.458 1.00 40.09 ? 28 MET L CE 1 ATOM 1704 N N . THR B 2 5 ? 56.868 -34.291 -0.802 1.00 34.01 ? 29 THR L N 1 ATOM 1705 C CA . THR B 2 5 ? 56.638 -34.948 0.487 1.00 35.61 ? 29 THR L CA 1 ATOM 1706 C C . THR B 2 5 ? 57.932 -34.916 1.291 1.00 31.70 ? 29 THR L C 1 ATOM 1707 O O . THR B 2 5 ? 58.888 -35.630 0.974 1.00 36.39 ? 29 THR L O 1 ATOM 1708 C CB . THR B 2 5 ? 56.145 -36.378 0.291 1.00 38.71 ? 29 THR L CB 1 ATOM 1709 O OG1 . THR B 2 5 ? 54.874 -36.349 -0.369 1.00 39.73 ? 29 THR L OG1 1 ATOM 1710 C CG2 . THR B 2 5 ? 56.001 -37.098 1.650 1.00 37.14 ? 29 THR L CG2 1 ATOM 1711 N N . GLN B 2 6 ? 57.954 -34.098 2.336 1.00 33.02 ? 30 GLN L N 1 ATOM 1712 C CA . GLN B 2 6 ? 59.165 -33.817 3.094 1.00 33.02 ? 30 GLN L CA 1 ATOM 1713 C C . GLN B 2 6 ? 59.134 -34.546 4.430 1.00 34.32 ? 30 GLN L C 1 ATOM 1714 O O . GLN B 2 6 ? 58.152 -34.449 5.173 1.00 36.60 ? 30 GLN L O 1 ATOM 1715 C CB . GLN B 2 6 ? 59.314 -32.311 3.319 1.00 31.96 ? 30 GLN L CB 1 ATOM 1716 C CG . GLN B 2 6 ? 60.615 -31.922 3.998 1.00 32.64 ? 30 GLN L CG 1 ATOM 1717 C CD . GLN B 2 6 ? 60.784 -30.423 4.124 1.00 37.50 ? 30 GLN L CD 1 ATOM 1718 O OE1 . GLN B 2 6 ? 60.156 -29.652 3.395 1.00 33.17 ? 30 GLN L OE1 1 ATOM 1719 N NE2 . GLN B 2 6 ? 61.639 -30.000 5.053 1.00 30.43 ? 30 GLN L NE2 1 ATOM 1720 N N . THR B 2 7 ? 60.212 -35.264 4.732 1.00 32.47 ? 31 THR L N 1 ATOM 1721 C CA . THR B 2 7 ? 60.339 -36.007 5.988 1.00 31.52 ? 31 THR L CA 1 ATOM 1722 C C . THR B 2 7 ? 61.751 -35.857 6.542 1.00 39.81 ? 31 THR L C 1 ATOM 1723 O O . THR B 2 7 ? 62.697 -35.650 5.787 1.00 34.23 ? 31 THR L O 1 ATOM 1724 C CB . THR B 2 7 ? 60.046 -37.509 5.807 1.00 36.53 ? 31 THR L CB 1 ATOM 1725 O OG1 . THR B 2 7 ? 60.894 -38.035 4.777 1.00 41.21 ? 31 THR L OG1 1 ATOM 1726 C CG2 . THR B 2 7 ? 58.580 -37.751 5.447 1.00 37.28 ? 31 THR L CG2 1 ATOM 1727 N N . PRO B 2 8 ? 61.904 -35.934 7.872 1.00 37.97 ? 32 PRO L N 1 ATOM 1728 C CA . PRO B 2 8 ? 60.854 -35.993 8.898 1.00 36.86 ? 32 PRO L CA 1 ATOM 1729 C C . PRO B 2 8 ? 60.238 -34.619 9.126 1.00 43.04 ? 32 PRO L C 1 ATOM 1730 O O . PRO B 2 8 ? 60.814 -33.638 8.679 1.00 40.64 ? 32 PRO L O 1 ATOM 1731 C CB . PRO B 2 8 ? 61.608 -36.463 10.145 1.00 34.49 ? 32 PRO L CB 1 ATOM 1732 C CG . PRO B 2 8 ? 62.975 -35.897 9.971 1.00 34.81 ? 32 PRO L CG 1 ATOM 1733 C CD . PRO B 2 8 ? 63.254 -35.940 8.460 1.00 32.76 ? 32 PRO L CD 1 ATOM 1734 N N . LYS B 2 9 ? 59.095 -34.541 9.813 1.00 40.34 ? 33 LYS L N 1 ATOM 1735 C CA . LYS B 2 9 ? 58.514 -33.236 10.092 1.00 38.79 ? 33 LYS L CA 1 ATOM 1736 C C . LYS B 2 9 ? 59.199 -32.541 11.261 1.00 38.20 ? 33 LYS L C 1 ATOM 1737 O O . LYS B 2 9 ? 59.115 -31.313 11.374 1.00 34.53 ? 33 LYS L O 1 ATOM 1738 C CB . LYS B 2 9 ? 57.015 -33.370 10.365 1.00 45.78 ? 33 LYS L CB 1 ATOM 1739 C CG . LYS B 2 9 ? 56.206 -33.823 9.164 1.00 51.41 ? 33 LYS L CG 1 ATOM 1740 C CD . LYS B 2 9 ? 54.725 -33.899 9.502 1.00 66.98 ? 33 LYS L CD 1 ATOM 1741 C CE . LYS B 2 9 ? 53.918 -34.477 8.348 1.00 77.19 ? 33 LYS L CE 1 ATOM 1742 N NZ . LYS B 2 9 ? 52.463 -34.565 8.673 1.00 86.93 ? 33 LYS L NZ 1 ATOM 1743 N N . PHE B 2 10 ? 59.883 -33.298 12.117 1.00 38.61 ? 34 PHE L N 1 ATOM 1744 C CA . PHE B 2 10 ? 60.550 -32.759 13.292 1.00 35.18 ? 34 PHE L CA 1 ATOM 1745 C C . PHE B 2 10 ? 61.896 -33.439 13.482 1.00 38.32 ? 34 PHE L C 1 ATOM 1746 O O . PHE B 2 10 ? 62.023 -34.644 13.251 1.00 37.87 ? 34 PHE L O 1 ATOM 1747 C CB . PHE B 2 10 ? 59.700 -32.968 14.557 1.00 37.89 ? 34 PHE L CB 1 ATOM 1748 C CG . PHE B 2 10 ? 58.354 -32.304 14.501 1.00 41.27 ? 34 PHE L CG 1 ATOM 1749 C CD1 . PHE B 2 10 ? 57.271 -32.945 13.916 1.00 40.03 ? 34 PHE L CD1 1 ATOM 1750 C CD2 . PHE B 2 10 ? 58.172 -31.043 15.034 1.00 39.22 ? 34 PHE L CD2 1 ATOM 1751 C CE1 . PHE B 2 10 ? 56.035 -32.333 13.851 1.00 40.98 ? 34 PHE L CE1 1 ATOM 1752 C CE2 . PHE B 2 10 ? 56.939 -30.430 14.985 1.00 43.31 ? 34 PHE L CE2 1 ATOM 1753 C CZ . PHE B 2 10 ? 55.866 -31.075 14.392 1.00 48.65 ? 34 PHE L CZ 1 ATOM 1754 N N . LEU B 2 11 ? 62.886 -32.673 13.932 1.00 35.87 ? 35 LEU L N 1 ATOM 1755 C CA . LEU B 2 11 ? 64.217 -33.188 14.230 1.00 34.40 ? 35 LEU L CA 1 ATOM 1756 C C . LEU B 2 11 ? 64.701 -32.590 15.542 1.00 39.41 ? 35 LEU L C 1 ATOM 1757 O O . LEU B 2 11 ? 64.595 -31.377 15.749 1.00 40.40 ? 35 LEU L O 1 ATOM 1758 C CB . LEU B 2 11 ? 65.211 -32.852 13.101 1.00 40.13 ? 35 LEU L CB 1 ATOM 1759 C CG . LEU B 2 11 ? 65.314 -33.757 11.883 1.00 43.99 ? 35 LEU L CG 1 ATOM 1760 C CD1 . LEU B 2 11 ? 66.381 -33.202 10.958 1.00 46.14 ? 35 LEU L CD1 1 ATOM 1761 C CD2 . LEU B 2 11 ? 65.658 -35.173 12.292 1.00 42.09 ? 35 LEU L CD2 1 ATOM 1762 N N . LEU B 2 12 ? 65.219 -33.442 16.430 1.00 38.73 ? 36 LEU L N 1 ATOM 1763 C CA . LEU B 2 12 ? 65.858 -33.014 17.673 1.00 49.32 ? 36 LEU L CA 1 ATOM 1764 C C . LEU B 2 12 ? 67.290 -33.522 17.643 1.00 51.52 ? 36 LEU L C 1 ATOM 1765 O O . LEU B 2 12 ? 67.524 -34.733 17.708 1.00 59.14 ? 36 LEU L O 1 ATOM 1766 C CB . LEU B 2 12 ? 65.116 -33.539 18.904 1.00 41.14 ? 36 LEU L CB 1 ATOM 1767 C CG . LEU B 2 12 ? 65.761 -33.242 20.260 1.00 42.97 ? 36 LEU L CG 1 ATOM 1768 C CD1 . LEU B 2 12 ? 66.110 -31.766 20.389 1.00 43.60 ? 36 LEU L CD1 1 ATOM 1769 C CD2 . LEU B 2 12 ? 64.839 -33.671 21.412 1.00 45.98 ? 36 LEU L CD2 1 ATOM 1770 N N . VAL B 2 13 ? 68.245 -32.605 17.550 1.00 43.07 ? 37 VAL L N 1 ATOM 1771 C CA . VAL B 2 13 ? 69.635 -32.978 17.347 1.00 47.38 ? 37 VAL L CA 1 ATOM 1772 C C . VAL B 2 13 ? 70.520 -32.193 18.304 1.00 40.87 ? 37 VAL L C 1 ATOM 1773 O O . VAL B 2 13 ? 70.198 -31.069 18.704 1.00 46.56 ? 37 VAL L O 1 ATOM 1774 C CB . VAL B 2 13 ? 70.049 -32.753 15.873 1.00 45.78 ? 37 VAL L CB 1 ATOM 1775 C CG1 . VAL B 2 13 ? 70.336 -31.285 15.596 1.00 41.80 ? 37 VAL L CG1 1 ATOM 1776 C CG2 . VAL B 2 13 ? 71.218 -33.612 15.515 1.00 56.07 ? 37 VAL L CG2 1 ATOM 1777 N N . SER B 2 14 ? 71.629 -32.812 18.699 1.00 43.07 ? 38 SER L N 1 ATOM 1778 C CA . SER B 2 14 ? 72.649 -32.125 19.476 1.00 43.92 ? 38 SER L CA 1 ATOM 1779 C C . SER B 2 14 ? 73.572 -31.342 18.552 1.00 49.67 ? 38 SER L C 1 ATOM 1780 O O . SER B 2 14 ? 73.796 -31.721 17.398 1.00 43.96 ? 38 SER L O 1 ATOM 1781 C CB . SER B 2 14 ? 73.468 -33.119 20.298 1.00 52.48 ? 38 SER L CB 1 ATOM 1782 O OG . SER B 2 14 ? 72.685 -33.719 21.317 1.00 60.42 ? 38 SER L OG 1 ATOM 1783 N N . ALA B 2 15 ? 74.107 -30.238 19.066 1.00 51.15 ? 39 ALA L N 1 ATOM 1784 C CA . ALA B 2 15 ? 75.067 -29.469 18.289 1.00 48.41 ? 39 ALA L CA 1 ATOM 1785 C C . ALA B 2 15 ? 76.261 -30.349 17.946 1.00 50.35 ? 39 ALA L C 1 ATOM 1786 O O . ALA B 2 15 ? 76.707 -31.162 18.760 1.00 51.31 ? 39 ALA L O 1 ATOM 1787 C CB . ALA B 2 15 ? 75.519 -28.229 19.062 1.00 51.21 ? 39 ALA L CB 1 ATOM 1788 N N . GLY B 2 16 ? 76.760 -30.203 16.723 1.00 46.08 ? 40 GLY L N 1 ATOM 1789 C CA . GLY B 2 16 ? 77.834 -31.028 16.229 1.00 47.02 ? 40 GLY L CA 1 ATOM 1790 C C . GLY B 2 16 ? 77.395 -32.234 15.424 1.00 50.37 ? 40 GLY L C 1 ATOM 1791 O O . GLY B 2 16 ? 78.220 -32.823 14.716 1.00 47.79 ? 40 GLY L O 1 ATOM 1792 N N . ASP B 2 17 ? 76.123 -32.616 15.498 1.00 40.69 ? 41 ASP L N 1 ATOM 1793 C CA . ASP B 2 17 ? 75.681 -33.792 14.769 1.00 47.88 ? 41 ASP L CA 1 ATOM 1794 C C . ASP B 2 17 ? 75.317 -33.444 13.323 1.00 43.56 ? 41 ASP L C 1 ATOM 1795 O O . ASP B 2 17 ? 75.172 -32.278 12.940 1.00 44.56 ? 41 ASP L O 1 ATOM 1796 C CB . ASP B 2 17 ? 74.482 -34.441 15.452 1.00 52.82 ? 41 ASP L CB 1 ATOM 1797 C CG . ASP B 2 17 ? 74.752 -34.821 16.895 1.00 64.62 ? 41 ASP L CG 1 ATOM 1798 O OD1 . ASP B 2 17 ? 75.933 -34.885 17.305 1.00 60.89 ? 41 ASP L OD1 1 ATOM 1799 O OD2 . ASP B 2 17 ? 73.762 -35.069 17.617 1.00 68.70 ? 41 ASP L OD2 1 ATOM 1800 N N . ARG B 2 18 ? 75.161 -34.494 12.522 1.00 42.64 ? 42 ARG L N 1 ATOM 1801 C CA . ARG B 2 18 ? 74.742 -34.393 11.128 1.00 38.97 ? 42 ARG L CA 1 ATOM 1802 C C . ARG B 2 18 ? 73.253 -34.695 11.033 1.00 44.11 ? 42 ARG L C 1 ATOM 1803 O O . ARG B 2 18 ? 72.751 -35.588 11.719 1.00 46.77 ? 42 ARG L O 1 ATOM 1804 C CB . ARG B 2 18 ? 75.537 -35.373 10.268 1.00 44.48 ? 42 ARG L CB 1 ATOM 1805 C CG . ARG B 2 18 ? 74.901 -35.709 8.909 1.00 48.06 ? 42 ARG L CG 1 ATOM 1806 C CD . ARG B 2 18 ? 75.661 -36.828 8.229 1.00 58.82 ? 42 ARG L CD 1 ATOM 1807 N NE . ARG B 2 18 ? 76.848 -36.312 7.562 1.00 74.05 ? 42 ARG L NE 1 ATOM 1808 C CZ . ARG B 2 18 ? 76.942 -36.125 6.250 1.00 80.07 ? 42 ARG L CZ 1 ATOM 1809 N NH1 . ARG B 2 18 ? 75.923 -36.435 5.458 1.00 81.95 ? 42 ARG L NH1 1 ATOM 1810 N NH2 . ARG B 2 18 ? 78.061 -35.641 5.728 1.00 84.91 ? 42 ARG L NH2 1 ATOM 1811 N N . ILE B 2 19 ? 72.539 -33.933 10.211 1.00 36.68 ? 43 ILE L N 1 ATOM 1812 C CA . ILE B 2 19 ? 71.133 -34.214 9.948 1.00 32.64 ? 43 ILE L CA 1 ATOM 1813 C C . ILE B 2 19 ? 70.918 -34.310 8.445 1.00 34.45 ? 43 ILE L C 1 ATOM 1814 O O . ILE B 2 19 ? 71.612 -33.662 7.655 1.00 35.71 ? 43 ILE L O 1 ATOM 1815 C CB . ILE B 2 19 ? 70.186 -33.155 10.546 1.00 31.50 ? 43 ILE L CB 1 ATOM 1816 C CG1 . ILE B 2 19 ? 70.434 -31.772 9.939 1.00 39.02 ? 43 ILE L CG1 1 ATOM 1817 C CG2 . ILE B 2 19 ? 70.286 -33.130 12.077 1.00 45.12 ? 43 ILE L CG2 1 ATOM 1818 C CD1 . ILE B 2 19 ? 69.388 -31.361 8.919 1.00 42.15 ? 43 ILE L CD1 1 ATOM 1819 N N . THR B 2 20 ? 69.926 -35.108 8.054 1.00 32.79 ? 44 THR L N 1 ATOM 1820 C CA . THR B 2 20 ? 69.536 -35.219 6.652 1.00 34.48 ? 44 THR L CA 1 ATOM 1821 C C . THR B 2 20 ? 68.020 -35.188 6.550 1.00 35.41 ? 44 THR L C 1 ATOM 1822 O O . THR B 2 20 ? 67.331 -35.943 7.242 1.00 39.65 ? 44 THR L O 1 ATOM 1823 C CB . THR B 2 20 ? 70.096 -36.493 6.019 1.00 38.72 ? 44 THR L CB 1 ATOM 1824 O OG1 . THR B 2 20 ? 71.527 -36.409 5.993 1.00 44.16 ? 44 THR L OG1 1 ATOM 1825 C CG2 . THR B 2 20 ? 69.579 -36.657 4.589 1.00 36.73 ? 44 THR L CG2 1 ATOM 1826 N N . ILE B 2 21 ? 67.517 -34.287 5.717 1.00 29.09 ? 45 ILE L N 1 ATOM 1827 C CA . ILE B 2 21 ? 66.100 -34.141 5.417 1.00 31.06 ? 45 ILE L CA 1 ATOM 1828 C C . ILE B 2 21 ? 65.860 -34.678 4.012 1.00 34.94 ? 45 ILE L C 1 ATOM 1829 O O . ILE B 2 21 ? 66.704 -34.503 3.128 1.00 32.32 ? 45 ILE L O 1 ATOM 1830 C CB . ILE B 2 21 ? 65.676 -32.663 5.519 1.00 28.14 ? 45 ILE L CB 1 ATOM 1831 C CG1 . ILE B 2 21 ? 65.815 -32.184 6.970 1.00 29.00 ? 45 ILE L CG1 1 ATOM 1832 C CG2 . ILE B 2 21 ? 64.249 -32.461 5.027 1.00 34.19 ? 45 ILE L CG2 1 ATOM 1833 C CD1 . ILE B 2 21 ? 65.624 -30.699 7.117 1.00 31.30 ? 45 ILE L CD1 1 ATOM 1834 N N . THR B 2 22 ? 64.715 -35.327 3.805 1.00 31.51 ? 46 THR L N 1 ATOM 1835 C CA . THR B 2 22 ? 64.379 -35.934 2.519 1.00 30.77 ? 46 THR L CA 1 ATOM 1836 C C . THR B 2 22 ? 63.135 -35.279 1.932 1.00 34.96 ? 46 THR L C 1 ATOM 1837 O O . THR B 2 22 ? 62.190 -34.961 2.658 1.00 32.77 ? 46 THR L O 1 ATOM 1838 C CB . THR B 2 22 ? 64.150 -37.438 2.679 1.00 35.43 ? 46 THR L CB 1 ATOM 1839 O OG1 . THR B 2 22 ? 65.349 -38.050 3.166 1.00 39.84 ? 46 THR L OG1 1 ATOM 1840 C CG2 . THR B 2 22 ? 63.755 -38.088 1.346 1.00 39.88 ? 46 THR L CG2 1 ATOM 1841 N N . CYS B 2 23 ? 63.145 -35.067 0.613 1.00 35.24 ? 47 CYS L N 1 ATOM 1842 C CA A CYS B 2 23 ? 62.010 -34.527 -0.129 0.50 37.98 ? 47 CYS L CA 1 ATOM 1843 C CA B CYS B 2 23 ? 61.985 -34.563 -0.111 0.50 37.61 ? 47 CYS L CA 1 ATOM 1844 C C . CYS B 2 23 ? 61.767 -35.460 -1.313 1.00 42.92 ? 47 CYS L C 1 ATOM 1845 O O . CYS B 2 23 ? 62.686 -35.688 -2.107 1.00 37.77 ? 47 CYS L O 1 ATOM 1846 C CB A CYS B 2 23 ? 62.322 -33.085 -0.582 0.50 39.76 ? 47 CYS L CB 1 ATOM 1847 C CB B CYS B 2 23 ? 62.150 -33.101 -0.548 0.50 40.72 ? 47 CYS L CB 1 ATOM 1848 S SG A CYS B 2 23 ? 61.020 -32.049 -1.345 0.50 54.45 ? 47 CYS L SG 1 ATOM 1849 S SG B CYS B 2 23 ? 61.535 -31.942 0.706 0.50 38.83 ? 47 CYS L SG 1 ATOM 1850 N N . LYS B 2 24 ? 60.558 -36.013 -1.422 1.00 33.97 ? 48 LYS L N 1 ATOM 1851 C CA . LYS B 2 24 ? 60.206 -36.897 -2.529 1.00 39.49 ? 48 LYS L CA 1 ATOM 1852 C C . LYS B 2 24 ? 59.107 -36.263 -3.371 1.00 41.43 ? 48 LYS L C 1 ATOM 1853 O O . LYS B 2 24 ? 58.064 -35.861 -2.847 1.00 40.06 ? 48 LYS L O 1 ATOM 1854 C CB . LYS B 2 24 ? 59.775 -38.275 -2.022 1.00 44.09 ? 48 LYS L CB 1 ATOM 1855 C CG . LYS B 2 24 ? 60.948 -39.169 -1.652 1.00 56.16 ? 48 LYS L CG 1 ATOM 1856 C CD . LYS B 2 24 ? 60.531 -40.273 -0.691 1.00 68.68 ? 48 LYS L CD 1 ATOM 1857 C CE . LYS B 2 24 ? 61.745 -40.968 -0.095 1.00 72.53 ? 48 LYS L CE 1 ATOM 1858 N NZ . LYS B 2 24 ? 61.390 -41.748 1.121 1.00 82.52 ? 48 LYS L NZ 1 ATOM 1859 N N . ALA B 2 25 ? 59.347 -36.172 -4.674 1.00 37.46 ? 49 ALA L N 1 ATOM 1860 C CA . ALA B 2 25 ? 58.432 -35.501 -5.584 1.00 40.54 ? 49 ALA L CA 1 ATOM 1861 C C . ALA B 2 25 ? 57.492 -36.514 -6.222 1.00 43.40 ? 49 ALA L C 1 ATOM 1862 O O . ALA B 2 25 ? 57.903 -37.627 -6.561 1.00 39.69 ? 49 ALA L O 1 ATOM 1863 C CB . ALA B 2 25 ? 59.209 -34.752 -6.669 1.00 34.26 ? 49 ALA L CB 1 ATOM 1864 N N . SER B 2 26 ? 56.227 -36.116 -6.394 1.00 43.48 ? 50 SER L N 1 ATOM 1865 C CA . SER B 2 26 ? 55.226 -37.029 -6.933 1.00 44.91 ? 50 SER L CA 1 ATOM 1866 C C . SER B 2 26 ? 55.467 -37.360 -8.401 1.00 44.29 ? 50 SER L C 1 ATOM 1867 O O . SER B 2 26 ? 54.922 -38.351 -8.896 1.00 48.05 ? 50 SER L O 1 ATOM 1868 C CB . SER B 2 26 ? 53.826 -36.445 -6.748 1.00 43.12 ? 50 SER L CB 1 ATOM 1869 O OG . SER B 2 26 ? 53.682 -35.223 -7.447 1.00 42.58 ? 50 SER L OG 1 ATOM 1870 N N . GLN B 2 27 ? 56.251 -36.551 -9.107 1.00 43.07 ? 51 GLN L N 1 ATOM 1871 C CA . GLN B 2 27 ? 56.744 -36.904 -10.430 1.00 49.15 ? 51 GLN L CA 1 ATOM 1872 C C . GLN B 2 27 ? 58.114 -36.264 -10.592 1.00 48.96 ? 51 GLN L C 1 ATOM 1873 O O . GLN B 2 27 ? 58.536 -35.455 -9.766 1.00 40.87 ? 51 GLN L O 1 ATOM 1874 C CB . GLN B 2 27 ? 55.779 -36.461 -11.531 1.00 50.21 ? 51 GLN L CB 1 ATOM 1875 C CG . GLN B 2 27 ? 55.356 -35.017 -11.411 1.00 55.45 ? 51 GLN L CG 1 ATOM 1876 C CD . GLN B 2 27 ? 54.297 -34.638 -12.419 1.00 64.14 ? 51 GLN L CD 1 ATOM 1877 O OE1 . GLN B 2 27 ? 53.102 -34.679 -12.125 1.00 69.23 ? 51 GLN L OE1 1 ATOM 1878 N NE2 . GLN B 2 27 ? 54.730 -34.265 -13.618 1.00 61.34 ? 51 GLN L NE2 1 ATOM 1879 N N . SER B 2 28 ? 58.810 -36.633 -11.665 1.00 44.42 ? 52 SER L N 1 ATOM 1880 C CA . SER B 2 28 ? 60.178 -36.164 -11.844 1.00 46.79 ? 52 SER L CA 1 ATOM 1881 C C . SER B 2 28 ? 60.222 -34.647 -12.005 1.00 41.93 ? 52 SER L C 1 ATOM 1882 O O . SER B 2 28 ? 59.391 -34.053 -12.700 1.00 40.23 ? 52 SER L O 1 ATOM 1883 C CB . SER B 2 28 ? 60.817 -36.845 -13.055 1.00 53.10 ? 52 SER L CB 1 ATOM 1884 O OG . SER B 2 28 ? 62.127 -36.352 -13.279 1.00 57.53 ? 52 SER L OG 1 ATOM 1885 N N . VAL B 2 29 ? 61.197 -34.017 -11.348 1.00 38.49 ? 53 VAL L N 1 ATOM 1886 C CA . VAL B 2 29 ? 61.376 -32.570 -11.446 1.00 34.95 ? 53 VAL L CA 1 ATOM 1887 C C . VAL B 2 29 ? 62.812 -32.228 -11.828 1.00 35.84 ? 53 VAL L C 1 ATOM 1888 O O . VAL B 2 29 ? 63.309 -31.152 -11.473 1.00 35.02 ? 53 VAL L O 1 ATOM 1889 C CB . VAL B 2 29 ? 60.993 -31.854 -10.134 1.00 37.22 ? 53 VAL L CB 1 ATOM 1890 C CG1 . VAL B 2 29 ? 59.490 -31.898 -9.907 1.00 35.22 ? 53 VAL L CG1 1 ATOM 1891 C CG2 . VAL B 2 29 ? 61.749 -32.455 -8.945 1.00 32.69 ? 53 VAL L CG2 1 ATOM 1892 N N . ARG B 2 30 ? 63.480 -33.127 -12.552 1.00 37.94 ? 54 ARG L N 1 ATOM 1893 C CA . ARG B 2 30 ? 64.852 -32.914 -13.039 1.00 40.67 ? 54 ARG L CA 1 ATOM 1894 C C . ARG B 2 30 ? 65.731 -32.575 -11.838 1.00 42.99 ? 54 ARG L C 1 ATOM 1895 O O . ARG B 2 30 ? 65.697 -33.296 -10.824 1.00 39.45 ? 54 ARG L O 1 ATOM 1896 C CB . ARG B 2 30 ? 64.867 -31.847 -14.128 1.00 43.62 ? 54 ARG L CB 1 ATOM 1897 C CG . ARG B 2 30 ? 63.855 -31.926 -15.235 1.00 58.11 ? 54 ARG L CG 1 ATOM 1898 C CD . ARG B 2 30 ? 64.385 -31.038 -16.350 1.00 77.83 ? 54 ARG L CD 1 ATOM 1899 N NE . ARG B 2 30 ? 63.427 -30.086 -16.898 1.00 90.33 ? 54 ARG L NE 1 ATOM 1900 C CZ . ARG B 2 30 ? 63.496 -28.769 -16.720 1.00 86.27 ? 54 ARG L CZ 1 ATOM 1901 N NH1 . ARG B 2 30 ? 62.583 -27.973 -17.263 1.00 94.46 ? 54 ARG L NH1 1 ATOM 1902 N NH2 . ARG B 2 30 ? 64.480 -28.245 -16.004 1.00 65.79 ? 54 ARG L NH2 1 ATOM 1903 N N . ASN B 2 31 ? 66.516 -31.497 -11.901 1.00 34.64 ? 55 ASN L N 1 ATOM 1904 C CA . ASN B 2 31 ? 67.257 -30.966 -10.762 1.00 35.98 ? 55 ASN L CA 1 ATOM 1905 C C . ASN B 2 31 ? 66.675 -29.649 -10.256 1.00 35.28 ? 55 ASN L C 1 ATOM 1906 O O . ASN B 2 31 ? 67.384 -28.883 -9.600 1.00 32.92 ? 55 ASN L O 1 ATOM 1907 C CB . ASN B 2 31 ? 68.730 -30.772 -11.136 1.00 35.66 ? 55 ASN L CB 1 ATOM 1908 C CG . ASN B 2 31 ? 68.926 -29.702 -12.210 1.00 46.28 ? 55 ASN L CG 1 ATOM 1909 O OD1 . ASN B 2 31 ? 67.983 -29.333 -12.915 1.00 44.61 ? 55 ASN L OD1 1 ATOM 1910 N ND2 . ASN B 2 31 ? 70.155 -29.202 -12.335 1.00 44.18 ? 55 ASN L ND2 1 ATOM 1911 N N . ASP B 2 32 ? 65.407 -29.360 -10.571 1.00 30.59 ? 56 ASP L N 1 ATOM 1912 C CA . ASP B 2 32 ? 64.771 -28.081 -10.238 1.00 31.82 ? 56 ASP L CA 1 ATOM 1913 C C . ASP B 2 32 ? 64.228 -28.070 -8.800 1.00 32.18 ? 56 ASP L C 1 ATOM 1914 O O . ASP B 2 32 ? 63.026 -27.929 -8.564 1.00 34.02 ? 56 ASP L O 1 ATOM 1915 C CB . ASP B 2 32 ? 63.644 -27.784 -11.224 1.00 29.94 ? 56 ASP L CB 1 ATOM 1916 C CG . ASP B 2 32 ? 64.142 -27.426 -12.631 1.00 45.08 ? 56 ASP L CG 1 ATOM 1917 O OD1 . ASP B 2 32 ? 65.018 -26.549 -12.763 1.00 45.51 ? 56 ASP L OD1 1 ATOM 1918 O OD2 . ASP B 2 32 ? 63.638 -28.012 -13.613 1.00 45.15 ? 56 ASP L OD2 1 ATOM 1919 N N . VAL B 2 33 ? 65.126 -28.216 -7.820 1.00 29.12 ? 57 VAL L N 1 ATOM 1920 C CA . VAL B 2 33 ? 64.735 -28.235 -6.410 1.00 28.11 ? 57 VAL L CA 1 ATOM 1921 C C . VAL B 2 33 ? 65.544 -27.195 -5.643 1.00 29.46 ? 57 VAL L C 1 ATOM 1922 O O . VAL B 2 33 ? 66.756 -27.056 -5.844 1.00 28.85 ? 57 VAL L O 1 ATOM 1923 C CB . VAL B 2 33 ? 64.906 -29.637 -5.786 1.00 29.76 ? 57 VAL L CB 1 ATOM 1924 C CG1 . VAL B 2 33 ? 64.789 -29.579 -4.241 1.00 29.51 ? 57 VAL L CG1 1 ATOM 1925 C CG2 . VAL B 2 33 ? 63.865 -30.582 -6.357 1.00 30.62 ? 57 VAL L CG2 1 ATOM 1926 N N . ALA B 2 34 ? 64.862 -26.449 -4.782 1.00 26.69 ? 58 ALA L N 1 ATOM 1927 C CA . ALA B 2 34 ? 65.487 -25.463 -3.917 1.00 23.81 ? 58 ALA L CA 1 ATOM 1928 C C . ALA B 2 34 ? 65.219 -25.831 -2.460 1.00 25.77 ? 58 ALA L C 1 ATOM 1929 O O . ALA B 2 34 ? 64.227 -26.504 -2.145 1.00 27.17 ? 58 ALA L O 1 ATOM 1930 C CB . ALA B 2 34 ? 64.951 -24.057 -4.209 1.00 23.86 ? 58 ALA L CB 1 ATOM 1931 N N . TRP B 2 35 ? 66.122 -25.411 -1.575 1.00 23.49 ? 59 TRP L N 1 ATOM 1932 C CA . TRP B 2 35 ? 65.936 -25.588 -0.131 1.00 23.43 ? 59 TRP L CA 1 ATOM 1933 C C . TRP B 2 35 ? 66.048 -24.254 0.586 1.00 27.34 ? 59 TRP L C 1 ATOM 1934 O O . TRP B 2 35 ? 66.954 -23.461 0.300 1.00 25.76 ? 59 TRP L O 1 ATOM 1935 C CB . TRP B 2 35 ? 66.964 -26.548 0.463 1.00 26.05 ? 59 TRP L CB 1 ATOM 1936 C CG . TRP B 2 35 ? 66.814 -27.951 0.030 1.00 26.60 ? 59 TRP L CG 1 ATOM 1937 C CD1 . TRP B 2 35 ? 67.374 -28.534 -1.075 1.00 27.40 ? 59 TRP L CD1 1 ATOM 1938 C CD2 . TRP B 2 35 ? 66.053 -28.970 0.679 1.00 29.29 ? 59 TRP L CD2 1 ATOM 1939 N NE1 . TRP B 2 35 ? 67.017 -29.858 -1.146 1.00 29.28 ? 59 TRP L NE1 1 ATOM 1940 C CE2 . TRP B 2 35 ? 66.205 -30.150 -0.075 1.00 28.64 ? 59 TRP L CE2 1 ATOM 1941 C CE3 . TRP B 2 35 ? 65.267 -29.005 1.841 1.00 28.39 ? 59 TRP L CE3 1 ATOM 1942 C CZ2 . TRP B 2 35 ? 65.590 -31.352 0.283 1.00 31.32 ? 59 TRP L CZ2 1 ATOM 1943 C CZ3 . TRP B 2 35 ? 64.657 -30.189 2.192 1.00 31.72 ? 59 TRP L CZ3 1 ATOM 1944 C CH2 . TRP B 2 35 ? 64.826 -31.350 1.429 1.00 31.48 ? 59 TRP L CH2 1 ATOM 1945 N N . TYR B 2 36 ? 65.152 -24.023 1.552 1.00 23.57 ? 60 TYR L N 1 ATOM 1946 C CA . TYR B 2 36 ? 65.083 -22.755 2.254 1.00 23.86 ? 60 TYR L CA 1 ATOM 1947 C C . TYR B 2 36 ? 65.194 -22.992 3.752 1.00 24.59 ? 60 TYR L C 1 ATOM 1948 O O . TYR B 2 36 ? 64.887 -24.074 4.252 1.00 26.85 ? 60 TYR L O 1 ATOM 1949 C CB . TYR B 2 36 ? 63.772 -22.003 1.977 1.00 23.84 ? 60 TYR L CB 1 ATOM 1950 C CG . TYR B 2 36 ? 63.529 -21.734 0.507 1.00 23.73 ? 60 TYR L CG 1 ATOM 1951 C CD1 . TYR B 2 36 ? 62.963 -22.705 -0.309 1.00 27.23 ? 60 TYR L CD1 1 ATOM 1952 C CD2 . TYR B 2 36 ? 63.853 -20.508 -0.046 1.00 23.98 ? 60 TYR L CD2 1 ATOM 1953 C CE1 . TYR B 2 36 ? 62.747 -22.460 -1.680 1.00 24.97 ? 60 TYR L CE1 1 ATOM 1954 C CE2 . TYR B 2 36 ? 63.632 -20.249 -1.401 1.00 24.09 ? 60 TYR L CE2 1 ATOM 1955 C CZ . TYR B 2 36 ? 63.070 -21.231 -2.197 1.00 25.90 ? 60 TYR L CZ 1 ATOM 1956 O OH . TYR B 2 36 ? 62.853 -20.979 -3.538 1.00 28.16 ? 60 TYR L OH 1 ATOM 1957 N N . GLN B 2 37 ? 65.634 -21.950 4.447 1.00 25.39 ? 61 GLN L N 1 ATOM 1958 C CA . GLN B 2 37 ? 65.743 -21.945 5.902 1.00 27.82 ? 61 GLN L CA 1 ATOM 1959 C C . GLN B 2 37 ? 64.981 -20.749 6.444 1.00 27.34 ? 61 GLN L C 1 ATOM 1960 O O . GLN B 2 37 ? 65.202 -19.616 6.003 1.00 30.47 ? 61 GLN L O 1 ATOM 1961 C CB . GLN B 2 37 ? 67.211 -21.890 6.309 1.00 27.94 ? 61 GLN L CB 1 ATOM 1962 C CG . GLN B 2 37 ? 67.461 -21.615 7.789 1.00 28.98 ? 61 GLN L CG 1 ATOM 1963 C CD . GLN B 2 37 ? 68.871 -21.134 8.021 1.00 33.56 ? 61 GLN L CD 1 ATOM 1964 O OE1 . GLN B 2 37 ? 69.232 -20.028 7.610 1.00 34.51 ? 61 GLN L OE1 1 ATOM 1965 N NE2 . GLN B 2 37 ? 69.688 -21.965 8.666 1.00 33.85 ? 61 GLN L NE2 1 ATOM 1966 N N . GLN B 2 38 ? 64.101 -20.988 7.426 1.00 28.32 ? 62 GLN L N 1 ATOM 1967 C CA . GLN B 2 38 ? 63.287 -19.925 7.999 1.00 29.54 ? 62 GLN L CA 1 ATOM 1968 C C . GLN B 2 38 ? 63.463 -19.978 9.513 1.00 36.54 ? 62 GLN L C 1 ATOM 1969 O O . GLN B 2 38 ? 62.899 -20.848 10.184 1.00 32.09 ? 62 GLN L O 1 ATOM 1970 C CB . GLN B 2 38 ? 61.818 -20.046 7.604 1.00 30.62 ? 62 GLN L CB 1 ATOM 1971 C CG . GLN B 2 38 ? 60.989 -18.848 8.086 1.00 32.09 ? 62 GLN L CG 1 ATOM 1972 C CD . GLN B 2 38 ? 59.565 -18.851 7.562 1.00 35.66 ? 62 GLN L CD 1 ATOM 1973 O OE1 . GLN B 2 38 ? 59.186 -19.706 6.763 1.00 35.51 ? 62 GLN L OE1 1 ATOM 1974 N NE2 . GLN B 2 38 ? 58.774 -17.885 8.001 1.00 45.35 ? 62 GLN L NE2 1 ATOM 1975 N N . LYS B 2 39 ? 64.266 -19.065 10.027 1.00 31.10 ? 63 LYS L N 1 ATOM 1976 C CA . LYS B 2 39 ? 64.497 -18.954 11.458 1.00 30.87 ? 63 LYS L CA 1 ATOM 1977 C C . LYS B 2 39 ? 63.315 -18.288 12.151 1.00 32.84 ? 63 LYS L C 1 ATOM 1978 O O . LYS B 2 39 ? 62.500 -17.615 11.515 1.00 37.71 ? 63 LYS L O 1 ATOM 1979 C CB . LYS B 2 39 ? 65.784 -18.175 11.705 1.00 35.25 ? 63 LYS L CB 1 ATOM 1980 C CG . LYS B 2 39 ? 67.000 -18.910 11.187 1.00 37.71 ? 63 LYS L CG 1 ATOM 1981 C CD . LYS B 2 39 ? 68.299 -18.216 11.531 1.00 44.50 ? 63 LYS L CD 1 ATOM 1982 C CE . LYS B 2 39 ? 69.472 -18.979 10.929 1.00 39.19 ? 63 LYS L CE 1 ATOM 1983 N NZ . LYS B 2 39 ? 70.801 -18.521 11.428 1.00 51.92 ? 63 LYS L NZ 1 ATOM 1984 N N . PRO B 2 40 ? 63.179 -18.490 13.462 1.00 43.43 ? 64 PRO L N 1 ATOM 1985 C CA . PRO B 2 40 ? 62.048 -17.898 14.183 1.00 40.62 ? 64 PRO L CA 1 ATOM 1986 C C . PRO B 2 40 ? 61.999 -16.385 14.009 1.00 44.04 ? 64 PRO L C 1 ATOM 1987 O O . PRO B 2 40 ? 63.002 -15.688 14.180 1.00 41.76 ? 64 PRO L O 1 ATOM 1988 C CB . PRO B 2 40 ? 62.314 -18.298 15.639 1.00 48.86 ? 64 PRO L CB 1 ATOM 1989 C CG . PRO B 2 40 ? 63.104 -19.565 15.532 1.00 45.41 ? 64 PRO L CG 1 ATOM 1990 C CD . PRO B 2 40 ? 63.930 -19.454 14.288 1.00 44.69 ? 64 PRO L CD 1 ATOM 1991 N N . GLY B 2 41 ? 60.823 -15.886 13.632 1.00 38.10 ? 65 GLY L N 1 ATOM 1992 C CA . GLY B 2 41 ? 60.608 -14.461 13.486 1.00 47.89 ? 65 GLY L CA 1 ATOM 1993 C C . GLY B 2 41 ? 61.237 -13.821 12.267 1.00 40.46 ? 65 GLY L C 1 ATOM 1994 O O . GLY B 2 41 ? 61.190 -12.592 12.141 1.00 44.37 ? 65 GLY L O 1 ATOM 1995 N N . GLN B 2 42 ? 61.834 -14.608 11.380 1.00 37.65 ? 66 GLN L N 1 ATOM 1996 C CA . GLN B 2 42 ? 62.491 -14.102 10.182 1.00 36.61 ? 66 GLN L CA 1 ATOM 1997 C C . GLN B 2 42 ? 61.847 -14.677 8.926 1.00 35.47 ? 66 GLN L C 1 ATOM 1998 O O . GLN B 2 42 ? 61.133 -15.681 8.961 1.00 35.99 ? 66 GLN L O 1 ATOM 1999 C CB . GLN B 2 42 ? 63.984 -14.454 10.167 1.00 35.96 ? 66 GLN L CB 1 ATOM 2000 C CG . GLN B 2 42 ? 64.783 -13.930 11.362 1.00 43.91 ? 66 GLN L CG 1 ATOM 2001 C CD . GLN B 2 42 ? 66.252 -14.312 11.246 1.00 56.24 ? 66 GLN L CD 1 ATOM 2002 O OE1 . GLN B 2 42 ? 66.704 -14.760 10.190 1.00 57.58 ? 66 GLN L OE1 1 ATOM 2003 N NE2 . GLN B 2 42 ? 66.998 -14.152 12.332 1.00 66.24 ? 66 GLN L NE2 1 ATOM 2004 N N . SER B 2 43 ? 62.141 -14.042 7.805 1.00 33.45 ? 67 SER L N 1 ATOM 2005 C CA . SER B 2 43 ? 61.707 -14.554 6.510 1.00 30.48 ? 67 SER L CA 1 ATOM 2006 C C . SER B 2 43 ? 62.608 -15.686 6.024 1.00 30.40 ? 67 SER L C 1 ATOM 2007 O O . SER B 2 43 ? 63.754 -15.812 6.459 1.00 31.35 ? 67 SER L O 1 ATOM 2008 C CB . SER B 2 43 ? 61.697 -13.415 5.501 1.00 28.85 ? 67 SER L CB 1 ATOM 2009 O OG . SER B 2 43 ? 60.779 -12.424 5.927 1.00 34.24 ? 67 SER L OG 1 ATOM 2010 N N . PRO B 2 44 ? 62.118 -16.523 5.097 1.00 29.51 ? 68 PRO L N 1 ATOM 2011 C CA . PRO B 2 44 ? 62.966 -17.587 4.551 1.00 34.24 ? 68 PRO L CA 1 ATOM 2012 C C . PRO B 2 44 ? 64.188 -17.034 3.828 1.00 28.26 ? 68 PRO L C 1 ATOM 2013 O O . PRO B 2 44 ? 64.165 -15.933 3.274 1.00 30.78 ? 68 PRO L O 1 ATOM 2014 C CB . PRO B 2 44 ? 62.038 -18.318 3.568 1.00 32.77 ? 68 PRO L CB 1 ATOM 2015 C CG . PRO B 2 44 ? 60.658 -18.007 4.036 1.00 26.79 ? 68 PRO L CG 1 ATOM 2016 C CD . PRO B 2 44 ? 60.731 -16.614 4.600 1.00 32.37 ? 68 PRO L CD 1 ATOM 2017 N N . LYS B 2 45 ? 65.267 -17.811 3.868 1.00 26.88 ? 69 LYS L N 1 ATOM 2018 C CA . LYS B 2 45 ? 66.475 -17.558 3.094 1.00 26.74 ? 69 LYS L CA 1 ATOM 2019 C C . LYS B 2 45 ? 66.778 -18.760 2.205 1.00 25.61 ? 69 LYS L C 1 ATOM 2020 O O . LYS B 2 45 ? 66.623 -19.913 2.623 1.00 25.88 ? 69 LYS L O 1 ATOM 2021 C CB . LYS B 2 45 ? 67.673 -17.278 4.001 1.00 34.67 ? 69 LYS L CB 1 ATOM 2022 C CG . LYS B 2 45 ? 67.548 -15.975 4.769 1.00 46.52 ? 69 LYS L CG 1 ATOM 2023 C CD . LYS B 2 45 ? 68.808 -15.661 5.551 1.00 59.53 ? 69 LYS L CD 1 ATOM 2024 C CE . LYS B 2 45 ? 68.636 -14.378 6.361 1.00 66.18 ? 69 LYS L CE 1 ATOM 2025 N NZ . LYS B 2 45 ? 69.612 -14.278 7.478 1.00 77.36 ? 69 LYS L NZ 1 ATOM 2026 N N . LEU B 2 46 ? 67.216 -18.482 0.973 1.00 26.58 ? 70 LEU L N 1 ATOM 2027 C CA . LEU B 2 46 ? 67.562 -19.526 0.010 1.00 26.56 ? 70 LEU L CA 1 ATOM 2028 C C . LEU B 2 46 ? 68.931 -20.117 0.351 1.00 24.27 ? 70 LEU L C 1 ATOM 2029 O O . LEU B 2 46 ? 69.917 -19.379 0.454 1.00 30.28 ? 70 LEU L O 1 ATOM 2030 C CB . LEU B 2 46 ? 67.556 -18.941 -1.408 1.00 24.14 ? 70 LEU L CB 1 ATOM 2031 C CG . LEU B 2 46 ? 67.971 -19.895 -2.544 1.00 23.01 ? 70 LEU L CG 1 ATOM 2032 C CD1 . LEU B 2 46 ? 67.004 -21.076 -2.621 1.00 23.77 ? 70 LEU L CD1 1 ATOM 2033 C CD2 . LEU B 2 46 ? 68.033 -19.137 -3.882 1.00 24.71 ? 70 LEU L CD2 1 ATOM 2034 N N . LEU B 2 47 ? 68.999 -21.438 0.546 1.00 25.91 ? 71 LEU L N 1 ATOM 2035 C CA . LEU B 2 47 ? 70.267 -22.116 0.821 1.00 27.40 ? 71 LEU L CA 1 ATOM 2036 C C . LEU B 2 47 ? 70.805 -22.906 -0.364 1.00 27.42 ? 71 LEU L C 1 ATOM 2037 O O . LEU B 2 47 ? 71.998 -22.822 -0.666 1.00 27.19 ? 71 LEU L O 1 ATOM 2038 C CB . LEU B 2 47 ? 70.143 -23.070 2.016 1.00 26.00 ? 71 LEU L CB 1 ATOM 2039 C CG . LEU B 2 47 ? 69.822 -22.423 3.363 1.00 28.13 ? 71 LEU L CG 1 ATOM 2040 C CD1 . LEU B 2 47 ? 70.019 -23.441 4.487 1.00 28.25 ? 71 LEU L CD1 1 ATOM 2041 C CD2 . LEU B 2 47 ? 70.648 -21.162 3.605 1.00 27.19 ? 71 LEU L CD2 1 ATOM 2042 N N . ILE B 2 48 ? 69.961 -23.711 -1.007 1.00 24.69 ? 72 ILE L N 1 ATOM 2043 C CA . ILE B 2 48 ? 70.374 -24.627 -2.066 1.00 24.52 ? 72 ILE L CA 1 ATOM 2044 C C . ILE B 2 48 ? 69.469 -24.389 -3.265 1.00 26.52 ? 72 ILE L C 1 ATOM 2045 O O . ILE B 2 48 ? 68.259 -24.194 -3.106 1.00 28.68 ? 72 ILE L O 1 ATOM 2046 C CB . ILE B 2 48 ? 70.285 -26.107 -1.608 1.00 25.43 ? 72 ILE L CB 1 ATOM 2047 C CG1 . ILE B 2 48 ? 71.098 -26.357 -0.330 1.00 29.25 ? 72 ILE L CG1 1 ATOM 2048 C CG2 . ILE B 2 48 ? 70.756 -27.064 -2.730 1.00 28.63 ? 72 ILE L CG2 1 ATOM 2049 C CD1 . ILE B 2 48 ? 72.599 -26.295 -0.553 1.00 34.19 ? 72 ILE L CD1 1 ATOM 2050 N N . TYR B 2 49 ? 70.047 -24.406 -4.466 1.00 29.18 ? 73 TYR L N 1 ATOM 2051 C CA . TYR B 2 49 ? 69.241 -24.320 -5.670 1.00 28.29 ? 73 TYR L CA 1 ATOM 2052 C C . TYR B 2 49 ? 69.853 -25.217 -6.742 1.00 33.10 ? 73 TYR L C 1 ATOM 2053 O O . TYR B 2 49 ? 71.007 -25.647 -6.640 1.00 28.84 ? 73 TYR L O 1 ATOM 2054 C CB . TYR B 2 49 ? 69.070 -22.860 -6.148 1.00 27.44 ? 73 TYR L CB 1 ATOM 2055 C CG . TYR B 2 49 ? 70.297 -22.141 -6.692 1.00 32.99 ? 73 TYR L CG 1 ATOM 2056 C CD1 . TYR B 2 49 ? 71.523 -22.202 -6.048 1.00 33.48 ? 73 TYR L CD1 1 ATOM 2057 C CD2 . TYR B 2 49 ? 70.208 -21.370 -7.843 1.00 44.67 ? 73 TYR L CD2 1 ATOM 2058 C CE1 . TYR B 2 49 ? 72.626 -21.533 -6.537 1.00 36.52 ? 73 TYR L CE1 1 ATOM 2059 C CE2 . TYR B 2 49 ? 71.315 -20.696 -8.348 1.00 42.48 ? 73 TYR L CE2 1 ATOM 2060 C CZ . TYR B 2 49 ? 72.519 -20.779 -7.687 1.00 43.58 ? 73 TYR L CZ 1 ATOM 2061 O OH . TYR B 2 49 ? 73.623 -20.115 -8.179 1.00 44.44 ? 73 TYR L OH 1 ATOM 2062 N N . PHE B 2 50 ? 69.045 -25.516 -7.762 1.00 31.37 ? 74 PHE L N 1 ATOM 2063 C CA . PHE B 2 50 ? 69.367 -26.562 -8.738 1.00 31.72 ? 74 PHE L CA 1 ATOM 2064 C C . PHE B 2 50 ? 69.797 -27.851 -8.029 1.00 31.27 ? 74 PHE L C 1 ATOM 2065 O O . PHE B 2 50 ? 70.780 -28.502 -8.400 1.00 32.81 ? 74 PHE L O 1 ATOM 2066 C CB . PHE B 2 50 ? 70.425 -26.087 -9.740 1.00 31.80 ? 74 PHE L CB 1 ATOM 2067 C CG . PHE B 2 50 ? 69.904 -25.121 -10.766 1.00 37.71 ? 74 PHE L CG 1 ATOM 2068 C CD1 . PHE B 2 50 ? 68.949 -25.516 -11.691 1.00 38.08 ? 74 PHE L CD1 1 ATOM 2069 C CD2 . PHE B 2 50 ? 70.382 -23.819 -10.820 1.00 42.92 ? 74 PHE L CD2 1 ATOM 2070 C CE1 . PHE B 2 50 ? 68.479 -24.632 -12.657 1.00 43.30 ? 74 PHE L CE1 1 ATOM 2071 C CE2 . PHE B 2 50 ? 69.914 -22.930 -11.775 1.00 46.87 ? 74 PHE L CE2 1 ATOM 2072 C CZ . PHE B 2 50 ? 68.963 -23.338 -12.699 1.00 43.52 ? 74 PHE L CZ 1 ATOM 2073 N N . ALA B 2 51 ? 69.048 -28.199 -6.974 1.00 28.88 ? 75 ALA L N 1 ATOM 2074 C CA . ALA B 2 51 ? 69.167 -29.431 -6.189 1.00 28.81 ? 75 ALA L CA 1 ATOM 2075 C C . ALA B 2 51 ? 70.427 -29.543 -5.338 1.00 32.09 ? 75 ALA L C 1 ATOM 2076 O O . ALA B 2 51 ? 70.366 -30.083 -4.227 1.00 32.21 ? 75 ALA L O 1 ATOM 2077 C CB . ALA B 2 51 ? 69.072 -30.672 -7.081 1.00 32.35 ? 75 ALA L CB 1 ATOM 2078 N N . SER B 2 52 ? 71.576 -29.080 -5.833 1.00 31.99 ? 76 SER L N 1 ATOM 2079 C CA . SER B 2 52 ? 72.822 -29.388 -5.143 1.00 30.86 ? 76 SER L CA 1 ATOM 2080 C C . SER B 2 52 ? 73.827 -28.240 -5.130 1.00 35.26 ? 76 SER L C 1 ATOM 2081 O O . SER B 2 52 ? 74.976 -28.456 -4.725 1.00 38.51 ? 76 SER L O 1 ATOM 2082 C CB . SER B 2 52 ? 73.465 -30.639 -5.771 1.00 29.38 ? 76 SER L CB 1 ATOM 2083 O OG . SER B 2 52 ? 73.729 -30.414 -7.153 1.00 43.00 ? 76 SER L OG 1 ATOM 2084 N N . ASN B 2 53 ? 73.446 -27.034 -5.546 1.00 30.40 ? 77 ASN L N 1 ATOM 2085 C CA . ASN B 2 53 ? 74.356 -25.894 -5.559 1.00 31.48 ? 77 ASN L CA 1 ATOM 2086 C C . ASN B 2 53 ? 74.068 -24.986 -4.370 1.00 34.63 ? 77 ASN L C 1 ATOM 2087 O O . ASN B 2 53 ? 72.914 -24.608 -4.142 1.00 29.28 ? 77 ASN L O 1 ATOM 2088 C CB . ASN B 2 53 ? 74.207 -25.086 -6.841 1.00 28.63 ? 77 ASN L CB 1 ATOM 2089 C CG . ASN B 2 53 ? 74.537 -25.893 -8.081 1.00 37.99 ? 77 ASN L CG 1 ATOM 2090 O OD1 . ASN B 2 53 ? 73.653 -26.463 -8.722 1.00 41.08 ? 77 ASN L OD1 1 ATOM 2091 N ND2 . ASN B 2 53 ? 75.815 -25.943 -8.424 1.00 33.11 ? 77 ASN L ND2 1 ATOM 2092 N N . ARG B 2 54 ? 75.115 -24.607 -3.642 1.00 31.15 ? 78 ARG L N 1 ATOM 2093 C CA . ARG B 2 54 ? 74.946 -23.619 -2.579 1.00 33.78 ? 78 ARG L CA 1 ATOM 2094 C C . ARG B 2 54 ? 74.723 -22.238 -3.175 1.00 31.70 ? 78 ARG L C 1 ATOM 2095 O O . ARG B 2 54 ? 75.441 -21.816 -4.088 1.00 31.03 ? 78 ARG L O 1 ATOM 2096 C CB . ARG B 2 54 ? 76.167 -23.573 -1.670 1.00 34.48 ? 78 ARG L CB 1 ATOM 2097 C CG . ARG B 2 54 ? 76.348 -24.762 -0.779 1.00 36.97 ? 78 ARG L CG 1 ATOM 2098 C CD . ARG B 2 54 ? 77.574 -24.531 0.082 1.00 37.63 ? 78 ARG L CD 1 ATOM 2099 N NE . ARG B 2 54 ? 78.085 -25.780 0.625 1.00 42.57 ? 78 ARG L NE 1 ATOM 2100 C CZ . ARG B 2 54 ? 79.108 -26.458 0.121 1.00 47.85 ? 78 ARG L CZ 1 ATOM 2101 N NH1 . ARG B 2 54 ? 79.492 -27.586 0.702 1.00 47.08 ? 78 ARG L NH1 1 ATOM 2102 N NH2 . ARG B 2 54 ? 79.748 -26.012 -0.954 1.00 45.63 ? 78 ARG L NH2 1 ATOM 2103 N N . TYR B 2 55 ? 73.733 -21.530 -2.647 1.00 28.93 ? 79 TYR L N 1 ATOM 2104 C CA . TYR B 2 55 ? 73.507 -20.161 -3.061 1.00 28.85 ? 79 TYR L CA 1 ATOM 2105 C C . TYR B 2 55 ? 74.635 -19.272 -2.534 1.00 37.36 ? 79 TYR L C 1 ATOM 2106 O O . TYR B 2 55 ? 75.387 -19.651 -1.631 1.00 34.05 ? 79 TYR L O 1 ATOM 2107 C CB . TYR B 2 55 ? 72.136 -19.692 -2.578 1.00 32.44 ? 79 TYR L CB 1 ATOM 2108 C CG . TYR B 2 55 ? 71.746 -18.312 -3.044 1.00 43.22 ? 79 TYR L CG 1 ATOM 2109 C CD1 . TYR B 2 55 ? 71.457 -18.060 -4.381 1.00 42.93 ? 79 TYR L CD1 1 ATOM 2110 C CD2 . TYR B 2 55 ? 71.661 -17.259 -2.139 1.00 54.57 ? 79 TYR L CD2 1 ATOM 2111 C CE1 . TYR B 2 55 ? 71.096 -16.787 -4.804 1.00 43.57 ? 79 TYR L CE1 1 ATOM 2112 C CE2 . TYR B 2 55 ? 71.305 -15.992 -2.549 1.00 57.00 ? 79 TYR L CE2 1 ATOM 2113 C CZ . TYR B 2 55 ? 71.023 -15.761 -3.880 1.00 44.69 ? 79 TYR L CZ 1 ATOM 2114 O OH . TYR B 2 55 ? 70.668 -14.491 -4.265 1.00 46.05 ? 79 TYR L OH 1 ATOM 2115 N N . THR B 2 56 ? 74.772 -18.092 -3.137 1.00 35.98 ? 80 THR L N 1 ATOM 2116 C CA . THR B 2 56 ? 75.870 -17.191 -2.797 1.00 45.24 ? 80 THR L CA 1 ATOM 2117 C C . THR B 2 56 ? 75.939 -16.951 -1.294 1.00 46.16 ? 80 THR L C 1 ATOM 2118 O O . THR B 2 56 ? 74.945 -16.573 -0.669 1.00 44.68 ? 80 THR L O 1 ATOM 2119 C CB . THR B 2 56 ? 75.702 -15.854 -3.525 1.00 51.54 ? 80 THR L CB 1 ATOM 2120 O OG1 . THR B 2 56 ? 75.443 -16.087 -4.914 1.00 63.43 ? 80 THR L OG1 1 ATOM 2121 C CG2 . THR B 2 56 ? 76.962 -15.011 -3.382 1.00 46.65 ? 80 THR L CG2 1 ATOM 2122 N N . GLY B 2 57 ? 77.116 -17.196 -0.716 1.00 42.25 ? 81 GLY L N 1 ATOM 2123 C CA . GLY B 2 57 ? 77.367 -16.903 0.681 1.00 45.81 ? 81 GLY L CA 1 ATOM 2124 C C . GLY B 2 57 ? 76.863 -17.929 1.674 1.00 42.19 ? 81 GLY L C 1 ATOM 2125 O O . GLY B 2 57 ? 76.984 -17.702 2.885 1.00 46.47 ? 81 GLY L O 1 ATOM 2126 N N . VAL B 2 58 ? 76.303 -19.038 1.213 1.00 40.25 ? 82 VAL L N 1 ATOM 2127 C CA . VAL B 2 58 ? 75.819 -20.087 2.116 1.00 37.93 ? 82 VAL L CA 1 ATOM 2128 C C . VAL B 2 58 ? 77.013 -20.895 2.615 1.00 38.37 ? 82 VAL L C 1 ATOM 2129 O O . VAL B 2 58 ? 77.864 -21.292 1.800 1.00 39.26 ? 82 VAL L O 1 ATOM 2130 C CB . VAL B 2 58 ? 74.809 -20.979 1.397 1.00 34.43 ? 82 VAL L CB 1 ATOM 2131 C CG1 . VAL B 2 58 ? 74.487 -22.193 2.229 1.00 31.35 ? 82 VAL L CG1 1 ATOM 2132 C CG2 . VAL B 2 58 ? 73.548 -20.195 1.104 1.00 30.74 ? 82 VAL L CG2 1 ATOM 2133 N N . PRO B 2 59 ? 77.118 -21.156 3.919 1.00 36.61 ? 83 PRO L N 1 ATOM 2134 C CA . PRO B 2 59 ? 78.302 -21.844 4.449 1.00 39.26 ? 83 PRO L CA 1 ATOM 2135 C C . PRO B 2 59 ? 78.388 -23.299 4.007 1.00 38.68 ? 83 PRO L C 1 ATOM 2136 O O . PRO B 2 59 ? 77.406 -23.925 3.602 1.00 35.95 ? 83 PRO L O 1 ATOM 2137 C CB . PRO B 2 59 ? 78.129 -21.738 5.970 1.00 47.68 ? 83 PRO L CB 1 ATOM 2138 C CG . PRO B 2 59 ? 76.698 -21.450 6.181 1.00 48.61 ? 83 PRO L CG 1 ATOM 2139 C CD . PRO B 2 59 ? 76.232 -20.673 4.989 1.00 40.29 ? 83 PRO L CD 1 ATOM 2140 N N . ASP B 2 60 ? 79.602 -23.844 4.134 1.00 41.22 ? 84 ASP L N 1 ATOM 2141 C CA . ASP B 2 60 ? 79.914 -25.169 3.602 1.00 44.92 ? 84 ASP L CA 1 ATOM 2142 C C . ASP B 2 60 ? 79.090 -26.283 4.240 1.00 44.32 ? 84 ASP L C 1 ATOM 2143 O O . ASP B 2 60 ? 78.852 -27.312 3.595 1.00 40.21 ? 84 ASP L O 1 ATOM 2144 C CB . ASP B 2 60 ? 81.398 -25.474 3.794 1.00 57.25 ? 84 ASP L CB 1 ATOM 2145 C CG . ASP B 2 60 ? 82.279 -24.684 2.859 1.00 67.41 ? 84 ASP L CG 1 ATOM 2146 O OD1 . ASP B 2 60 ? 81.779 -24.244 1.803 1.00 66.25 ? 84 ASP L OD1 1 ATOM 2147 O OD2 . ASP B 2 60 ? 83.474 -24.509 3.178 1.00 76.16 ? 84 ASP L OD2 1 ATOM 2148 N N . ARG B 2 61 ? 78.665 -26.121 5.496 1.00 40.31 ? 85 ARG L N 1 ATOM 2149 C CA . ARG B 2 61 ? 78.001 -27.233 6.169 1.00 37.01 ? 85 ARG L CA 1 ATOM 2150 C C . ARG B 2 61 ? 76.645 -27.574 5.561 1.00 39.29 ? 85 ARG L C 1 ATOM 2151 O O . ARG B 2 61 ? 76.110 -28.645 5.867 1.00 34.34 ? 85 ARG L O 1 ATOM 2152 C CB . ARG B 2 61 ? 77.847 -26.948 7.670 1.00 35.95 ? 85 ARG L CB 1 ATOM 2153 C CG . ARG B 2 61 ? 76.912 -25.814 8.053 1.00 34.14 ? 85 ARG L CG 1 ATOM 2154 C CD . ARG B 2 61 ? 76.927 -25.626 9.580 1.00 38.33 ? 85 ARG L CD 1 ATOM 2155 N NE . ARG B 2 61 ? 76.068 -24.544 10.044 1.00 37.82 ? 85 ARG L NE 1 ATOM 2156 C CZ . ARG B 2 61 ? 76.407 -23.260 10.000 1.00 41.45 ? 85 ARG L CZ 1 ATOM 2157 N NH1 . ARG B 2 61 ? 77.586 -22.905 9.504 1.00 44.20 ? 85 ARG L NH1 1 ATOM 2158 N NH2 . ARG B 2 61 ? 75.570 -22.330 10.444 1.00 42.52 ? 85 ARG L NH2 1 ATOM 2159 N N . PHE B 2 62 ? 76.089 -26.712 4.708 1.00 31.04 ? 86 PHE L N 1 ATOM 2160 C CA . PHE B 2 62 ? 74.832 -26.984 4.022 1.00 32.25 ? 86 PHE L CA 1 ATOM 2161 C C . PHE B 2 62 ? 75.109 -27.554 2.640 1.00 34.29 ? 86 PHE L C 1 ATOM 2162 O O . PHE B 2 62 ? 75.858 -26.955 1.864 1.00 35.58 ? 86 PHE L O 1 ATOM 2163 C CB . PHE B 2 62 ? 73.997 -25.715 3.881 1.00 30.20 ? 86 PHE L CB 1 ATOM 2164 C CG . PHE B 2 62 ? 73.643 -25.082 5.190 1.00 31.04 ? 86 PHE L CG 1 ATOM 2165 C CD1 . PHE B 2 62 ? 72.747 -25.702 6.045 1.00 29.80 ? 86 PHE L CD1 1 ATOM 2166 C CD2 . PHE B 2 62 ? 74.199 -23.871 5.566 1.00 34.12 ? 86 PHE L CD2 1 ATOM 2167 C CE1 . PHE B 2 62 ? 72.411 -25.122 7.277 1.00 35.13 ? 86 PHE L CE1 1 ATOM 2168 C CE2 . PHE B 2 62 ? 73.869 -23.286 6.797 1.00 36.28 ? 86 PHE L CE2 1 ATOM 2169 C CZ . PHE B 2 62 ? 72.975 -23.916 7.649 1.00 37.79 ? 86 PHE L CZ 1 ATOM 2170 N N . THR B 2 63 ? 74.499 -28.700 2.331 1.00 33.84 ? 87 THR L N 1 ATOM 2171 C CA . THR B 2 63 ? 74.585 -29.284 0.994 1.00 30.44 ? 87 THR L CA 1 ATOM 2172 C C . THR B 2 63 ? 73.241 -29.896 0.624 1.00 32.93 ? 87 THR L C 1 ATOM 2173 O O . THR B 2 63 ? 72.405 -30.174 1.482 1.00 32.63 ? 87 THR L O 1 ATOM 2174 C CB . THR B 2 63 ? 75.668 -30.369 0.891 1.00 35.75 ? 87 THR L CB 1 ATOM 2175 O OG1 . THR B 2 63 ? 75.358 -31.434 1.793 1.00 35.99 ? 87 THR L OG1 1 ATOM 2176 C CG2 . THR B 2 63 ? 77.050 -29.823 1.209 1.00 41.30 ? 87 THR L CG2 1 ATOM 2177 N N . GLY B 2 64 ? 73.035 -30.100 -0.674 1.00 33.10 ? 88 GLY L N 1 ATOM 2178 C CA . GLY B 2 64 ? 71.878 -30.836 -1.142 1.00 30.95 ? 88 GLY L CA 1 ATOM 2179 C C . GLY B 2 64 ? 72.290 -31.814 -2.223 1.00 32.36 ? 88 GLY L C 1 ATOM 2180 O O . GLY B 2 64 ? 73.329 -31.655 -2.863 1.00 34.90 ? 88 GLY L O 1 ATOM 2181 N N . SER B 2 65 ? 71.470 -32.848 -2.411 1.00 30.31 ? 89 SER L N 1 ATOM 2182 C CA . SER B 2 65 ? 71.742 -33.798 -3.482 1.00 31.50 ? 89 SER L CA 1 ATOM 2183 C C . SER B 2 65 ? 70.446 -34.438 -3.960 1.00 34.58 ? 89 SER L C 1 ATOM 2184 O O . SER B 2 65 ? 69.432 -34.442 -3.264 1.00 35.75 ? 89 SER L O 1 ATOM 2185 C CB . SER B 2 65 ? 72.748 -34.874 -3.052 1.00 41.62 ? 89 SER L CB 1 ATOM 2186 O OG . SER B 2 65 ? 72.283 -35.600 -1.935 1.00 51.69 ? 89 SER L OG 1 ATOM 2187 N N . GLY B 2 66 ? 70.484 -34.949 -5.189 1.00 29.91 ? 90 GLY L N 1 ATOM 2188 C CA . GLY B 2 66 ? 69.354 -35.667 -5.733 1.00 32.84 ? 90 GLY L CA 1 ATOM 2189 C C . GLY B 2 66 ? 69.037 -35.282 -7.165 1.00 35.34 ? 90 GLY L C 1 ATOM 2190 O O . GLY B 2 66 ? 69.603 -34.332 -7.709 1.00 33.99 ? 90 GLY L O 1 ATOM 2191 N N . SER B 2 67 ? 68.111 -36.013 -7.767 1.00 35.40 ? 91 SER L N 1 ATOM 2192 C CA . SER B 2 67 ? 67.649 -35.782 -9.128 1.00 36.89 ? 91 SER L CA 1 ATOM 2193 C C . SER B 2 67 ? 66.359 -36.566 -9.293 1.00 46.26 ? 91 SER L C 1 ATOM 2194 O O . SER B 2 67 ? 66.113 -37.534 -8.569 1.00 46.27 ? 91 SER L O 1 ATOM 2195 C CB . SER B 2 67 ? 68.691 -36.218 -10.167 1.00 40.00 ? 91 SER L CB 1 ATOM 2196 O OG . SER B 2 67 ? 68.938 -37.611 -10.093 1.00 50.06 ? 91 SER L OG 1 ATOM 2197 N N . GLY B 2 68 ? 65.523 -36.122 -10.225 1.00 39.04 ? 92 GLY L N 1 ATOM 2198 C CA . GLY B 2 68 ? 64.336 -36.888 -10.558 1.00 41.55 ? 92 GLY L CA 1 ATOM 2199 C C . GLY B 2 68 ? 63.249 -36.722 -9.515 1.00 40.24 ? 92 GLY L C 1 ATOM 2200 O O . GLY B 2 68 ? 62.556 -35.704 -9.508 1.00 36.72 ? 92 GLY L O 1 ATOM 2201 N N . THR B 2 69 ? 63.070 -37.714 -8.637 1.00 38.65 ? 93 THR L N 1 ATOM 2202 C CA . THR B 2 69 ? 62.057 -37.616 -7.595 1.00 38.04 ? 93 THR L CA 1 ATOM 2203 C C . THR B 2 69 ? 62.619 -37.607 -6.183 1.00 44.65 ? 93 THR L C 1 ATOM 2204 O O . THR B 2 69 ? 61.871 -37.295 -5.251 1.00 45.84 ? 93 THR L O 1 ATOM 2205 C CB . THR B 2 69 ? 61.041 -38.764 -7.703 1.00 44.36 ? 93 THR L CB 1 ATOM 2206 O OG1 . THR B 2 69 ? 61.712 -40.018 -7.532 1.00 46.21 ? 93 THR L OG1 1 ATOM 2207 C CG2 . THR B 2 69 ? 60.333 -38.742 -9.057 1.00 47.19 ? 93 THR L CG2 1 ATOM 2208 N N . ASP B 2 70 ? 63.897 -37.921 -5.988 1.00 35.64 ? 94 ASP L N 1 ATOM 2209 C CA . ASP B 2 70 ? 64.451 -38.133 -4.652 1.00 40.41 ? 94 ASP L CA 1 ATOM 2210 C C . ASP B 2 70 ? 65.512 -37.079 -4.363 1.00 40.03 ? 94 ASP L C 1 ATOM 2211 O O . ASP B 2 70 ? 66.497 -36.967 -5.101 1.00 39.74 ? 94 ASP L O 1 ATOM 2212 C CB . ASP B 2 70 ? 65.033 -39.544 -4.532 1.00 47.04 ? 94 ASP L CB 1 ATOM 2213 C CG . ASP B 2 70 ? 63.991 -40.627 -4.765 1.00 60.50 ? 94 ASP L CG 1 ATOM 2214 O OD1 . ASP B 2 70 ? 62.937 -40.603 -4.095 1.00 61.11 ? 94 ASP L OD1 1 ATOM 2215 O OD2 . ASP B 2 70 ? 64.218 -41.497 -5.632 1.00 72.52 ? 94 ASP L OD2 1 ATOM 2216 N N . PHE B 2 71 ? 65.313 -36.313 -3.290 1.00 30.47 ? 95 PHE L N 1 ATOM 2217 C CA . PHE B 2 71 ? 66.192 -35.204 -2.953 1.00 28.59 ? 95 PHE L CA 1 ATOM 2218 C C . PHE B 2 71 ? 66.485 -35.213 -1.461 1.00 36.43 ? 95 PHE L C 1 ATOM 2219 O O . PHE B 2 71 ? 65.612 -35.556 -0.656 1.00 37.34 ? 95 PHE L O 1 ATOM 2220 C CB . PHE B 2 71 ? 65.561 -33.862 -3.367 1.00 33.29 ? 95 PHE L CB 1 ATOM 2221 C CG . PHE B 2 71 ? 65.268 -33.793 -4.834 1.00 31.69 ? 95 PHE L CG 1 ATOM 2222 C CD1 . PHE B 2 71 ? 64.079 -34.305 -5.339 1.00 29.67 ? 95 PHE L CD1 1 ATOM 2223 C CD2 . PHE B 2 71 ? 66.212 -33.291 -5.714 1.00 29.49 ? 95 PHE L CD2 1 ATOM 2224 C CE1 . PHE B 2 71 ? 63.820 -34.299 -6.715 1.00 31.17 ? 95 PHE L CE1 1 ATOM 2225 C CE2 . PHE B 2 71 ? 65.958 -33.276 -7.092 1.00 30.03 ? 95 PHE L CE2 1 ATOM 2226 C CZ . PHE B 2 71 ? 64.764 -33.776 -7.585 1.00 31.93 ? 95 PHE L CZ 1 ATOM 2227 N N . THR B 2 72 ? 67.713 -34.842 -1.094 1.00 31.69 ? 96 THR L N 1 ATOM 2228 C CA . THR B 2 72 ? 68.071 -34.704 0.317 1.00 30.41 ? 96 THR L CA 1 ATOM 2229 C C . THR B 2 72 ? 68.772 -33.376 0.560 1.00 32.63 ? 96 THR L C 1 ATOM 2230 O O . THR B 2 72 ? 69.322 -32.756 -0.352 1.00 31.54 ? 96 THR L O 1 ATOM 2231 C CB . THR B 2 72 ? 68.969 -35.854 0.815 1.00 35.87 ? 96 THR L CB 1 ATOM 2232 O OG1 . THR B 2 72 ? 70.190 -35.874 0.070 1.00 36.69 ? 96 THR L OG1 1 ATOM 2233 C CG2 . THR B 2 72 ? 68.260 -37.199 0.687 1.00 38.32 ? 96 THR L CG2 1 ATOM 2234 N N . PHE B 2 73 ? 68.707 -32.931 1.817 1.00 27.38 ? 97 PHE L N 1 ATOM 2235 C CA . PHE B 2 73 ? 69.383 -31.736 2.295 1.00 27.80 ? 97 PHE L CA 1 ATOM 2236 C C . PHE B 2 73 ? 70.107 -32.127 3.574 1.00 30.43 ? 97 PHE L C 1 ATOM 2237 O O . PHE B 2 73 ? 69.524 -32.808 4.426 1.00 31.46 ? 97 PHE L O 1 ATOM 2238 C CB . PHE B 2 73 ? 68.367 -30.610 2.547 1.00 28.38 ? 97 PHE L CB 1 ATOM 2239 C CG . PHE B 2 73 ? 68.905 -29.443 3.336 1.00 24.66 ? 97 PHE L CG 1 ATOM 2240 C CD1 . PHE B 2 73 ? 69.502 -28.373 2.700 1.00 28.01 ? 97 PHE L CD1 1 ATOM 2241 C CD2 . PHE B 2 73 ? 68.765 -29.402 4.731 1.00 29.87 ? 97 PHE L CD2 1 ATOM 2242 C CE1 . PHE B 2 73 ? 69.981 -27.287 3.426 1.00 29.19 ? 97 PHE L CE1 1 ATOM 2243 C CE2 . PHE B 2 73 ? 69.240 -28.325 5.467 1.00 32.54 ? 97 PHE L CE2 1 ATOM 2244 C CZ . PHE B 2 73 ? 69.848 -27.262 4.824 1.00 30.62 ? 97 PHE L CZ 1 ATOM 2245 N N . THR B 2 74 ? 71.372 -31.726 3.706 1.00 30.27 ? 98 THR L N 1 ATOM 2246 C CA . THR B 2 74 ? 72.191 -32.168 4.834 1.00 29.69 ? 98 THR L CA 1 ATOM 2247 C C . THR B 2 74 ? 72.864 -30.983 5.510 1.00 30.23 ? 98 THR L C 1 ATOM 2248 O O . THR B 2 74 ? 73.354 -30.074 4.838 1.00 30.41 ? 98 THR L O 1 ATOM 2249 C CB . THR B 2 74 ? 73.254 -33.171 4.357 1.00 34.05 ? 98 THR L CB 1 ATOM 2250 O OG1 . THR B 2 74 ? 72.605 -34.352 3.870 1.00 39.29 ? 98 THR L OG1 1 ATOM 2251 C CG2 . THR B 2 74 ? 74.212 -33.557 5.490 1.00 39.10 ? 98 THR L CG2 1 ATOM 2252 N N . ILE B 2 75 ? 72.868 -30.979 6.846 1.00 29.24 ? 99 ILE L N 1 ATOM 2253 C CA . ILE B 2 75 ? 73.761 -30.127 7.624 1.00 31.31 ? 99 ILE L CA 1 ATOM 2254 C C . ILE B 2 75 ? 74.829 -31.035 8.216 1.00 34.51 ? 99 ILE L C 1 ATOM 2255 O O . ILE B 2 75 ? 74.528 -31.900 9.050 1.00 35.93 ? 99 ILE L O 1 ATOM 2256 C CB . ILE B 2 75 ? 73.022 -29.355 8.728 1.00 35.35 ? 99 ILE L CB 1 ATOM 2257 C CG1 . ILE B 2 75 ? 71.794 -28.632 8.165 1.00 31.93 ? 99 ILE L CG1 1 ATOM 2258 C CG2 . ILE B 2 75 ? 73.962 -28.347 9.381 1.00 36.39 ? 99 ILE L CG2 1 ATOM 2259 C CD1 . ILE B 2 75 ? 70.941 -27.957 9.239 1.00 32.55 ? 99 ILE L CD1 1 ATOM 2260 N N . SER B 2 76 ? 76.076 -30.842 7.792 1.00 32.37 ? 100 SER L N 1 ATOM 2261 C CA . SER B 2 76 ? 77.131 -31.769 8.185 1.00 34.77 ? 100 SER L CA 1 ATOM 2262 C C . SER B 2 76 ? 77.405 -31.693 9.682 1.00 45.75 ? 100 SER L C 1 ATOM 2263 O O . SER B 2 76 ? 77.575 -32.727 10.337 1.00 55.35 ? 100 SER L O 1 ATOM 2264 C CB . SER B 2 76 ? 78.402 -31.486 7.393 1.00 43.04 ? 100 SER L CB 1 ATOM 2265 O OG . SER B 2 76 ? 78.871 -30.177 7.657 1.00 49.08 ? 100 SER L OG 1 ATOM 2266 N N . THR B 2 77 ? 77.476 -30.480 10.237 1.00 43.69 ? 101 THR L N 1 ATOM 2267 C CA . THR B 2 77 ? 77.670 -30.283 11.674 1.00 47.71 ? 101 THR L CA 1 ATOM 2268 C C . THR B 2 77 ? 76.720 -29.182 12.125 1.00 42.90 ? 101 THR L C 1 ATOM 2269 O O . THR B 2 77 ? 76.964 -28.001 11.860 1.00 37.54 ? 101 THR L O 1 ATOM 2270 C CB . THR B 2 77 ? 79.114 -29.913 12.018 1.00 57.23 ? 101 THR L CB 1 ATOM 2271 O OG1 . THR B 2 77 ? 79.339 -28.535 11.698 1.00 71.50 ? 101 THR L OG1 1 ATOM 2272 C CG2 . THR B 2 77 ? 80.105 -30.773 11.245 1.00 44.93 ? 101 THR L CG2 1 ATOM 2273 N N . VAL B 2 78 ? 75.648 -29.572 12.816 1.00 39.25 ? 102 VAL L N 1 ATOM 2274 C CA . VAL B 2 78 ? 74.619 -28.628 13.230 1.00 34.80 ? 102 VAL L CA 1 ATOM 2275 C C . VAL B 2 78 ? 75.170 -27.674 14.282 1.00 44.96 ? 102 VAL L C 1 ATOM 2276 O O . VAL B 2 78 ? 75.889 -28.077 15.209 1.00 44.18 ? 102 VAL L O 1 ATOM 2277 C CB . VAL B 2 78 ? 73.393 -29.395 13.756 1.00 38.21 ? 102 VAL L CB 1 ATOM 2278 C CG1 . VAL B 2 78 ? 72.425 -28.460 14.478 1.00 38.65 ? 102 VAL L CG1 1 ATOM 2279 C CG2 . VAL B 2 78 ? 72.692 -30.116 12.603 1.00 35.68 ? 102 VAL L CG2 1 ATOM 2280 N N . GLN B 2 79 ? 74.838 -26.397 14.137 1.00 38.57 ? 103 GLN L N 1 ATOM 2281 C CA . GLN B 2 79 ? 75.154 -25.379 15.124 1.00 41.23 ? 103 GLN L CA 1 ATOM 2282 C C . GLN B 2 79 ? 73.867 -24.858 15.750 1.00 40.63 ? 103 GLN L C 1 ATOM 2283 O O . GLN B 2 79 ? 72.786 -24.957 15.165 1.00 39.69 ? 103 GLN L O 1 ATOM 2284 C CB . GLN B 2 79 ? 75.954 -24.246 14.477 1.00 44.06 ? 103 GLN L CB 1 ATOM 2285 C CG . GLN B 2 79 ? 77.225 -24.757 13.827 1.00 56.26 ? 103 GLN L CG 1 ATOM 2286 C CD . GLN B 2 79 ? 78.031 -23.671 13.153 1.00 61.53 ? 103 GLN L CD 1 ATOM 2287 O OE1 . GLN B 2 79 ? 77.723 -22.485 13.272 1.00 64.15 ? 103 GLN L OE1 1 ATOM 2288 N NE2 . GLN B 2 79 ? 79.077 -24.073 12.437 1.00 56.27 ? 103 GLN L NE2 1 ATOM 2289 N N . ALA B 2 80 ? 73.984 -24.323 16.974 1.00 42.92 ? 104 ALA L N 1 ATOM 2290 C CA . ALA B 2 80 ? 72.797 -23.848 17.681 1.00 42.94 ? 104 ALA L CA 1 ATOM 2291 C C . ALA B 2 80 ? 72.047 -22.796 16.873 1.00 46.06 ? 104 ALA L C 1 ATOM 2292 O O . ALA B 2 80 ? 70.810 -22.758 16.885 1.00 45.94 ? 104 ALA L O 1 ATOM 2293 C CB . ALA B 2 80 ? 73.182 -23.288 19.046 1.00 46.39 ? 104 ALA L CB 1 ATOM 2294 N N . GLU B 2 81 ? 72.777 -21.939 16.159 1.00 46.06 ? 105 GLU L N 1 ATOM 2295 C CA . GLU B 2 81 ? 72.141 -20.934 15.318 1.00 52.90 ? 105 GLU L CA 1 ATOM 2296 C C . GLU B 2 81 ? 71.376 -21.531 14.143 1.00 46.95 ? 105 GLU L C 1 ATOM 2297 O O . GLU B 2 81 ? 70.664 -20.788 13.461 1.00 42.77 ? 105 GLU L O 1 ATOM 2298 C CB . GLU B 2 81 ? 73.183 -19.943 14.793 1.00 61.97 ? 105 GLU L CB 1 ATOM 2299 C CG . GLU B 2 81 ? 74.272 -20.568 13.938 1.00 81.10 ? 105 GLU L CG 1 ATOM 2300 C CD . GLU B 2 81 ? 75.186 -19.532 13.307 1.00 98.06 ? 105 GLU L CD 1 ATOM 2301 O OE1 . GLU B 2 81 ? 74.733 -18.386 13.097 1.00 105.62 ? 105 GLU L OE1 1 ATOM 2302 O OE2 . GLU B 2 81 ? 76.358 -19.862 13.022 1.00 102.23 ? 105 GLU L OE2 1 ATOM 2303 N N . ASP B 2 82 ? 71.496 -22.835 13.885 1.00 36.61 ? 106 ASP L N 1 ATOM 2304 C CA . ASP B 2 82 ? 70.773 -23.453 12.777 1.00 34.18 ? 106 ASP L CA 1 ATOM 2305 C C . ASP B 2 82 ? 69.341 -23.823 13.135 1.00 35.27 ? 106 ASP L C 1 ATOM 2306 O O . ASP B 2 82 ? 68.624 -24.359 12.285 1.00 33.09 ? 106 ASP L O 1 ATOM 2307 C CB . ASP B 2 82 ? 71.513 -24.697 12.283 1.00 35.25 ? 106 ASP L CB 1 ATOM 2308 C CG . ASP B 2 82 ? 72.893 -24.374 11.724 1.00 35.78 ? 106 ASP L CG 1 ATOM 2309 O OD1 . ASP B 2 82 ? 73.114 -23.225 11.285 1.00 37.04 ? 106 ASP L OD1 1 ATOM 2310 O OD2 . ASP B 2 82 ? 73.758 -25.272 11.737 1.00 36.25 ? 106 ASP L OD2 1 ATOM 2311 N N . LEU B 2 83 ? 68.917 -23.579 14.373 1.00 35.91 ? 107 LEU L N 1 ATOM 2312 C CA . LEU B 2 83 ? 67.516 -23.732 14.743 1.00 35.70 ? 107 LEU L CA 1 ATOM 2313 C C . LEU B 2 83 ? 66.627 -22.947 13.780 1.00 34.46 ? 107 LEU L C 1 ATOM 2314 O O . LEU B 2 83 ? 66.803 -21.740 13.603 1.00 39.24 ? 107 LEU L O 1 ATOM 2315 C CB . LEU B 2 83 ? 67.342 -23.256 16.195 1.00 40.85 ? 107 LEU L CB 1 ATOM 2316 C CG . LEU B 2 83 ? 66.023 -22.773 16.783 1.00 54.65 ? 107 LEU L CG 1 ATOM 2317 C CD1 . LEU B 2 83 ? 64.959 -23.845 16.706 1.00 67.46 ? 107 LEU L CD1 1 ATOM 2318 C CD2 . LEU B 2 83 ? 66.277 -22.384 18.225 1.00 62.95 ? 107 LEU L CD2 1 ATOM 2319 N N . ALA B 2 84 ? 65.691 -23.644 13.138 1.00 32.98 ? 108 ALA L N 1 ATOM 2320 C CA . ALA B 2 84 ? 64.932 -23.101 12.015 1.00 33.66 ? 108 ALA L CA 1 ATOM 2321 C C . ALA B 2 84 ? 63.966 -24.167 11.516 1.00 36.72 ? 108 ALA L C 1 ATOM 2322 O O . ALA B 2 84 ? 64.071 -25.348 11.864 1.00 33.44 ? 108 ALA L O 1 ATOM 2323 C CB . ALA B 2 84 ? 65.846 -22.663 10.853 1.00 31.49 ? 108 ALA L CB 1 ATOM 2324 N N . VAL B 2 85 ? 63.030 -23.734 10.673 1.00 31.43 ? 109 VAL L N 1 ATOM 2325 C CA . VAL B 2 85 ? 62.260 -24.636 9.831 1.00 29.96 ? 109 VAL L CA 1 ATOM 2326 C C . VAL B 2 85 ? 62.911 -24.648 8.453 1.00 31.12 ? 109 VAL L C 1 ATOM 2327 O O . VAL B 2 85 ? 63.212 -23.586 7.894 1.00 32.88 ? 109 VAL L O 1 ATOM 2328 C CB . VAL B 2 85 ? 60.786 -24.206 9.744 1.00 32.45 ? 109 VAL L CB 1 ATOM 2329 C CG1 . VAL B 2 85 ? 60.014 -25.143 8.803 1.00 31.58 ? 109 VAL L CG1 1 ATOM 2330 C CG2 . VAL B 2 85 ? 60.156 -24.174 11.141 1.00 36.32 ? 109 VAL L CG2 1 ATOM 2331 N N . TYR B 2 86 ? 63.154 -25.843 7.922 1.00 27.05 ? 110 TYR L N 1 ATOM 2332 C CA . TYR B 2 86 ? 63.746 -26.025 6.597 1.00 26.76 ? 110 TYR L CA 1 ATOM 2333 C C . TYR B 2 86 ? 62.690 -26.589 5.662 1.00 28.96 ? 110 TYR L C 1 ATOM 2334 O O . TYR B 2 86 ? 61.920 -27.464 6.053 1.00 31.52 ? 110 TYR L O 1 ATOM 2335 C CB . TYR B 2 86 ? 64.957 -26.970 6.660 1.00 26.31 ? 110 TYR L CB 1 ATOM 2336 C CG . TYR B 2 86 ? 66.091 -26.383 7.465 1.00 26.59 ? 110 TYR L CG 1 ATOM 2337 C CD1 . TYR B 2 86 ? 66.109 -26.487 8.858 1.00 29.37 ? 110 TYR L CD1 1 ATOM 2338 C CD2 . TYR B 2 86 ? 67.124 -25.698 6.846 1.00 26.96 ? 110 TYR L CD2 1 ATOM 2339 C CE1 . TYR B 2 86 ? 67.133 -25.926 9.601 1.00 31.80 ? 110 TYR L CE1 1 ATOM 2340 C CE2 . TYR B 2 86 ? 68.152 -25.133 7.574 1.00 27.01 ? 110 TYR L CE2 1 ATOM 2341 C CZ . TYR B 2 86 ? 68.153 -25.254 8.964 1.00 30.60 ? 110 TYR L CZ 1 ATOM 2342 O OH . TYR B 2 86 ? 69.171 -24.688 9.709 1.00 29.41 ? 110 TYR L OH 1 ATOM 2343 N N . PHE B 2 87 ? 62.639 -26.090 4.424 1.00 28.94 ? 111 PHE L N 1 ATOM 2344 C CA . PHE B 2 87 ? 61.667 -26.658 3.496 1.00 27.30 ? 111 PHE L CA 1 ATOM 2345 C C . PHE B 2 87 ? 62.198 -26.648 2.068 1.00 26.15 ? 111 PHE L C 1 ATOM 2346 O O . PHE B 2 87 ? 62.977 -25.774 1.676 1.00 26.78 ? 111 PHE L O 1 ATOM 2347 C CB . PHE B 2 87 ? 60.308 -25.940 3.571 1.00 31.98 ? 111 PHE L CB 1 ATOM 2348 C CG . PHE B 2 87 ? 60.365 -24.453 3.361 1.00 33.76 ? 111 PHE L CG 1 ATOM 2349 C CD1 . PHE B 2 87 ? 60.587 -23.591 4.428 1.00 36.01 ? 111 PHE L CD1 1 ATOM 2350 C CD2 . PHE B 2 87 ? 60.145 -23.907 2.094 1.00 32.61 ? 111 PHE L CD2 1 ATOM 2351 C CE1 . PHE B 2 87 ? 60.614 -22.214 4.243 1.00 35.85 ? 111 PHE L CE1 1 ATOM 2352 C CE2 . PHE B 2 87 ? 60.168 -22.536 1.897 1.00 30.12 ? 111 PHE L CE2 1 ATOM 2353 C CZ . PHE B 2 87 ? 60.408 -21.680 2.972 1.00 33.57 ? 111 PHE L CZ 1 ATOM 2354 N N . CYS B 2 88 ? 61.776 -27.652 1.309 1.00 25.76 ? 112 CYS L N 1 ATOM 2355 C CA . CYS B 2 88 ? 62.120 -27.780 -0.103 1.00 26.65 ? 112 CYS L CA 1 ATOM 2356 C C . CYS B 2 88 ? 61.047 -27.142 -0.975 1.00 30.87 ? 112 CYS L C 1 ATOM 2357 O O . CYS B 2 88 ? 59.962 -26.774 -0.516 1.00 29.94 ? 112 CYS L O 1 ATOM 2358 C CB . CYS B 2 88 ? 62.295 -29.254 -0.495 1.00 25.93 ? 112 CYS L CB 1 ATOM 2359 S SG . CYS B 2 88 ? 60.813 -30.304 -0.251 1.00 36.69 ? 112 CYS L SG 1 ATOM 2360 N N . GLN B 2 89 ? 61.369 -27.028 -2.263 1.00 29.04 ? 113 GLN L N 1 ATOM 2361 C CA . GLN B 2 89 ? 60.461 -26.509 -3.272 1.00 29.62 ? 113 GLN L CA 1 ATOM 2362 C C . GLN B 2 89 ? 60.899 -27.074 -4.614 1.00 29.65 ? 113 GLN L C 1 ATOM 2363 O O . GLN B 2 89 ? 62.099 -27.162 -4.880 1.00 29.52 ? 113 GLN L O 1 ATOM 2364 C CB . GLN B 2 89 ? 60.493 -24.979 -3.313 1.00 28.50 ? 113 GLN L CB 1 ATOM 2365 C CG . GLN B 2 89 ? 59.558 -24.365 -4.359 1.00 31.44 ? 113 GLN L CG 1 ATOM 2366 C CD . GLN B 2 89 ? 59.908 -22.933 -4.702 1.00 32.17 ? 113 GLN L CD 1 ATOM 2367 O OE1 . GLN B 2 89 ? 61.080 -22.550 -4.717 1.00 33.34 ? 113 GLN L OE1 1 ATOM 2368 N NE2 . GLN B 2 89 ? 58.888 -22.131 -4.998 1.00 32.23 ? 113 GLN L NE2 1 ATOM 2369 N N . GLN B 2 90 ? 59.944 -27.460 -5.456 1.00 29.30 ? 114 GLN L N 1 ATOM 2370 C CA . GLN B 2 90 ? 60.270 -27.780 -6.840 1.00 30.04 ? 114 GLN L CA 1 ATOM 2371 C C . GLN B 2 90 ? 59.932 -26.576 -7.709 1.00 32.58 ? 114 GLN L C 1 ATOM 2372 O O . GLN B 2 90 ? 58.912 -25.913 -7.499 1.00 30.62 ? 114 GLN L O 1 ATOM 2373 C CB . GLN B 2 90 ? 59.541 -29.036 -7.340 1.00 31.11 ? 114 GLN L CB 1 ATOM 2374 C CG . GLN B 2 90 ? 58.022 -28.943 -7.409 1.00 37.71 ? 114 GLN L CG 1 ATOM 2375 C CD . GLN B 2 90 ? 57.517 -28.337 -8.703 1.00 37.77 ? 114 GLN L CD 1 ATOM 2376 O OE1 . GLN B 2 90 ? 58.247 -28.251 -9.702 1.00 35.99 ? 114 GLN L OE1 1 ATOM 2377 N NE2 . GLN B 2 90 ? 56.258 -27.911 -8.696 1.00 34.83 ? 114 GLN L NE2 1 ATOM 2378 N N . GLY B 2 91 ? 60.808 -26.281 -8.669 1.00 34.24 ? 115 GLY L N 1 ATOM 2379 C CA . GLY B 2 91 ? 60.586 -25.169 -9.572 1.00 31.44 ? 115 GLY L CA 1 ATOM 2380 C C . GLY B 2 91 ? 60.497 -25.621 -11.016 1.00 38.27 ? 115 GLY L C 1 ATOM 2381 O O . GLY B 2 91 ? 60.669 -24.819 -11.943 1.00 36.63 ? 115 GLY L O 1 ATOM 2382 N N . TYR B 2 92 ? 60.235 -26.916 -11.218 1.00 36.96 ? 116 TYR L N 1 ATOM 2383 C CA . TYR B 2 92 ? 60.176 -27.469 -12.570 1.00 40.78 ? 116 TYR L CA 1 ATOM 2384 C C . TYR B 2 92 ? 58.934 -26.990 -13.309 1.00 39.42 ? 116 TYR L C 1 ATOM 2385 O O . TYR B 2 92 ? 59.009 -26.580 -14.476 1.00 44.00 ? 116 TYR L O 1 ATOM 2386 C CB . TYR B 2 92 ? 60.218 -28.995 -12.493 1.00 44.53 ? 116 TYR L CB 1 ATOM 2387 C CG . TYR B 2 92 ? 59.904 -29.695 -13.784 1.00 46.84 ? 116 TYR L CG 1 ATOM 2388 C CD1 . TYR B 2 92 ? 60.773 -29.621 -14.859 1.00 45.08 ? 116 TYR L CD1 1 ATOM 2389 C CD2 . TYR B 2 92 ? 58.746 -30.448 -13.924 1.00 46.49 ? 116 TYR L CD2 1 ATOM 2390 C CE1 . TYR B 2 92 ? 60.492 -30.266 -16.054 1.00 51.11 ? 116 TYR L CE1 1 ATOM 2391 C CE2 . TYR B 2 92 ? 58.459 -31.103 -15.118 1.00 54.02 ? 116 TYR L CE2 1 ATOM 2392 C CZ . TYR B 2 92 ? 59.336 -31.006 -16.179 1.00 57.23 ? 116 TYR L CZ 1 ATOM 2393 O OH . TYR B 2 92 ? 59.062 -31.650 -17.369 1.00 66.20 ? 116 TYR L OH 1 ATOM 2394 N N . THR B 2 93 ? 57.783 -27.017 -12.645 1.00 37.24 ? 117 THR L N 1 ATOM 2395 C CA . THR B 2 93 ? 56.538 -26.585 -13.259 1.00 42.67 ? 117 THR L CA 1 ATOM 2396 C C . THR B 2 93 ? 55.708 -25.812 -12.246 1.00 43.85 ? 117 THR L C 1 ATOM 2397 O O . THR B 2 93 ? 55.894 -25.932 -11.034 1.00 39.92 ? 117 THR L O 1 ATOM 2398 C CB . THR B 2 93 ? 55.722 -27.768 -13.793 1.00 51.44 ? 117 THR L CB 1 ATOM 2399 O OG1 . THR B 2 93 ? 54.704 -27.276 -14.668 1.00 70.61 ? 117 THR L OG1 1 ATOM 2400 C CG2 . THR B 2 93 ? 55.056 -28.511 -12.645 1.00 43.09 ? 117 THR L CG2 1 ATOM 2401 N N . SER B 2 94 ? 54.774 -25.025 -12.765 1.00 43.54 ? 118 SER L N 1 ATOM 2402 C CA . SER B 2 94 ? 53.868 -24.253 -11.921 1.00 40.21 ? 118 SER L CA 1 ATOM 2403 C C . SER B 2 94 ? 52.618 -25.072 -11.575 1.00 39.99 ? 118 SER L C 1 ATOM 2404 O O . SER B 2 94 ? 52.094 -25.773 -12.428 1.00 39.06 ? 118 SER L O 1 ATOM 2405 C CB . SER B 2 94 ? 53.473 -22.954 -12.625 1.00 48.72 ? 118 SER L CB 1 ATOM 2406 O OG . SER B 2 94 ? 52.578 -22.203 -11.826 1.00 51.32 ? 118 SER L OG 1 ATOM 2407 N N . PRO B 2 95 ? 52.126 -24.977 -10.327 1.00 41.25 ? 119 PRO L N 1 ATOM 2408 C CA . PRO B 2 95 ? 52.641 -24.163 -9.223 1.00 38.17 ? 119 PRO L CA 1 ATOM 2409 C C . PRO B 2 95 ? 53.945 -24.714 -8.664 1.00 35.39 ? 119 PRO L C 1 ATOM 2410 O O . PRO B 2 95 ? 54.111 -25.935 -8.643 1.00 33.11 ? 119 PRO L O 1 ATOM 2411 C CB . PRO B 2 95 ? 51.526 -24.250 -8.175 1.00 38.79 ? 119 PRO L CB 1 ATOM 2412 C CG . PRO B 2 95 ? 50.880 -25.562 -8.437 1.00 37.27 ? 119 PRO L CG 1 ATOM 2413 C CD . PRO B 2 95 ? 50.929 -25.743 -9.930 1.00 38.32 ? 119 PRO L CD 1 ATOM 2414 N N . ARG B 2 96 ? 54.846 -23.818 -8.249 1.00 33.77 ? 120 ARG L N 1 ATOM 2415 C CA . ARG B 2 96 ? 56.164 -24.186 -7.730 1.00 34.84 ? 120 ARG L CA 1 ATOM 2416 C C . ARG B 2 96 ? 56.005 -24.528 -6.251 1.00 32.30 ? 120 ARG L C 1 ATOM 2417 O O . ARG B 2 96 ? 56.243 -23.714 -5.358 1.00 35.00 ? 120 ARG L O 1 ATOM 2418 C CB . ARG B 2 96 ? 57.165 -23.056 -7.942 1.00 31.97 ? 120 ARG L CB 1 ATOM 2419 C CG . ARG B 2 96 ? 56.919 -22.239 -9.205 1.00 43.59 ? 120 ARG L CG 1 ATOM 2420 C CD . ARG B 2 96 ? 57.860 -22.617 -10.319 1.00 31.05 ? 120 ARG L CD 1 ATOM 2421 N NE . ARG B 2 96 ? 57.554 -21.843 -11.529 1.00 35.83 ? 120 ARG L NE 1 ATOM 2422 C CZ . ARG B 2 96 ? 57.694 -22.289 -12.769 1.00 40.53 ? 120 ARG L CZ 1 ATOM 2423 N NH1 . ARG B 2 96 ? 57.359 -21.505 -13.789 1.00 37.56 ? 120 ARG L NH1 1 ATOM 2424 N NH2 . ARG B 2 96 ? 58.173 -23.511 -12.995 1.00 40.41 ? 120 ARG L NH2 1 ATOM 2425 N N . THR B 2 97 ? 55.619 -25.771 -6.004 1.00 32.84 ? 121 THR L N 1 ATOM 2426 C CA . THR B 2 97 ? 55.090 -26.182 -4.712 1.00 32.95 ? 121 THR L CA 1 ATOM 2427 C C . THR B 2 97 ? 56.192 -26.429 -3.679 1.00 34.27 ? 121 THR L C 1 ATOM 2428 O O . THR B 2 97 ? 57.285 -26.911 -3.996 1.00 29.82 ? 121 THR L O 1 ATOM 2429 C CB . THR B 2 97 ? 54.246 -27.441 -4.894 1.00 36.30 ? 121 THR L CB 1 ATOM 2430 O OG1 . THR B 2 97 ? 54.940 -28.353 -5.756 1.00 38.66 ? 121 THR L OG1 1 ATOM 2431 C CG2 . THR B 2 97 ? 52.916 -27.086 -5.554 1.00 37.56 ? 121 THR L CG2 1 ATOM 2432 N N . PHE B 2 98 ? 55.874 -26.116 -2.421 1.00 28.99 ? 122 PHE L N 1 ATOM 2433 C CA . PHE B 2 98 ? 56.785 -26.294 -1.296 1.00 29.79 ? 122 PHE L CA 1 ATOM 2434 C C . PHE B 2 98 ? 56.567 -27.632 -0.602 1.00 32.15 ? 122 PHE L C 1 ATOM 2435 O O . PHE B 2 98 ? 55.456 -28.164 -0.562 1.00 31.76 ? 122 PHE L O 1 ATOM 2436 C CB . PHE B 2 98 ? 56.599 -25.180 -0.251 1.00 29.73 ? 122 PHE L CB 1 ATOM 2437 C CG . PHE B 2 98 ? 56.997 -23.806 -0.728 1.00 29.00 ? 122 PHE L CG 1 ATOM 2438 C CD1 . PHE B 2 98 ? 58.329 -23.490 -0.961 1.00 31.78 ? 122 PHE L CD1 1 ATOM 2439 C CD2 . PHE B 2 98 ? 56.042 -22.815 -0.901 1.00 27.06 ? 122 PHE L CD2 1 ATOM 2440 C CE1 . PHE B 2 98 ? 58.698 -22.219 -1.397 1.00 30.60 ? 122 PHE L CE1 1 ATOM 2441 C CE2 . PHE B 2 98 ? 56.400 -21.538 -1.329 1.00 29.42 ? 122 PHE L CE2 1 ATOM 2442 C CZ . PHE B 2 98 ? 57.732 -21.239 -1.577 1.00 29.55 ? 122 PHE L CZ 1 ATOM 2443 N N . GLY B 2 99 ? 57.640 -28.160 -0.020 1.00 28.99 ? 123 GLY L N 1 ATOM 2444 C CA . GLY B 2 99 ? 57.500 -29.227 0.951 1.00 29.92 ? 123 GLY L CA 1 ATOM 2445 C C . GLY B 2 99 ? 56.887 -28.703 2.242 1.00 31.08 ? 123 GLY L C 1 ATOM 2446 O O . GLY B 2 99 ? 56.801 -27.499 2.482 1.00 31.05 ? 123 GLY L O 1 ATOM 2447 N N . GLY B 2 100 ? 56.455 -29.633 3.088 1.00 31.98 ? 124 GLY L N 1 ATOM 2448 C CA . GLY B 2 100 ? 55.758 -29.274 4.312 1.00 36.34 ? 124 GLY L CA 1 ATOM 2449 C C . GLY B 2 100 ? 56.628 -28.758 5.441 1.00 38.96 ? 124 GLY L C 1 ATOM 2450 O O . GLY B 2 100 ? 56.093 -28.322 6.469 1.00 36.05 ? 124 GLY L O 1 ATOM 2451 N N . GLY B 2 101 ? 57.946 -28.825 5.297 1.00 30.42 ? 125 GLY L N 1 ATOM 2452 C CA . GLY B 2 101 ? 58.856 -28.285 6.283 1.00 31.34 ? 125 GLY L CA 1 ATOM 2453 C C . GLY B 2 101 ? 59.327 -29.321 7.295 1.00 35.43 ? 125 GLY L C 1 ATOM 2454 O O . GLY B 2 101 ? 58.681 -30.340 7.548 1.00 36.51 ? 125 GLY L O 1 ATOM 2455 N N . THR B 2 102 ? 60.490 -29.037 7.879 1.00 38.14 ? 126 THR L N 1 ATOM 2456 C CA . THR B 2 102 ? 61.068 -29.807 8.973 1.00 37.53 ? 126 THR L CA 1 ATOM 2457 C C . THR B 2 102 ? 61.496 -28.825 10.045 1.00 34.85 ? 126 THR L C 1 ATOM 2458 O O . THR B 2 102 ? 62.255 -27.895 9.762 1.00 37.75 ? 126 THR L O 1 ATOM 2459 C CB . THR B 2 102 ? 62.287 -30.633 8.522 1.00 35.47 ? 126 THR L CB 1 ATOM 2460 O OG1 . THR B 2 102 ? 61.930 -31.504 7.444 1.00 40.78 ? 126 THR L OG1 1 ATOM 2461 C CG2 . THR B 2 102 ? 62.834 -31.457 9.695 1.00 37.44 ? 126 THR L CG2 1 ATOM 2462 N N . LYS B 2 103 ? 61.011 -29.017 11.269 1.00 33.16 ? 127 LYS L N 1 ATOM 2463 C CA . LYS B 2 103 ? 61.395 -28.151 12.379 1.00 33.20 ? 127 LYS L CA 1 ATOM 2464 C C . LYS B 2 103 ? 62.602 -28.757 13.084 1.00 36.54 ? 127 LYS L C 1 ATOM 2465 O O . LYS B 2 103 ? 62.527 -29.875 13.610 1.00 41.97 ? 127 LYS L O 1 ATOM 2466 C CB . LYS B 2 103 ? 60.236 -27.936 13.354 1.00 38.09 ? 127 LYS L CB 1 ATOM 2467 C CG . LYS B 2 103 ? 60.585 -26.918 14.431 1.00 36.47 ? 127 LYS L CG 1 ATOM 2468 C CD . LYS B 2 103 ? 59.352 -26.347 15.125 1.00 53.68 ? 127 LYS L CD 1 ATOM 2469 C CE . LYS B 2 103 ? 59.089 -27.046 16.440 1.00 58.64 ? 127 LYS L CE 1 ATOM 2470 N NZ . LYS B 2 103 ? 58.064 -26.339 17.267 1.00 52.86 ? 127 LYS L NZ 1 ATOM 2471 N N . LEU B 2 104 ? 63.706 -28.023 13.096 1.00 34.32 ? 128 LEU L N 1 ATOM 2472 C CA . LEU B 2 104 ? 64.948 -28.483 13.706 1.00 38.25 ? 128 LEU L CA 1 ATOM 2473 C C . LEU B 2 104 ? 65.093 -27.851 15.086 1.00 46.94 ? 128 LEU L C 1 ATOM 2474 O O . LEU B 2 104 ? 65.237 -26.630 15.196 1.00 41.21 ? 128 LEU L O 1 ATOM 2475 C CB . LEU B 2 104 ? 66.147 -28.132 12.825 1.00 41.19 ? 128 LEU L CB 1 ATOM 2476 C CG . LEU B 2 104 ? 67.535 -28.483 13.359 1.00 44.60 ? 128 LEU L CG 1 ATOM 2477 C CD1 . LEU B 2 104 ? 67.592 -29.953 13.707 1.00 50.54 ? 128 LEU L CD1 1 ATOM 2478 C CD2 . LEU B 2 104 ? 68.612 -28.137 12.335 1.00 47.69 ? 128 LEU L CD2 1 ATOM 2479 N N . GLU B 2 105 ? 65.064 -28.685 16.127 1.00 35.08 ? 129 GLU L N 1 ATOM 2480 C CA . GLU B 2 105 ? 65.268 -28.270 17.508 1.00 43.68 ? 129 GLU L CA 1 ATOM 2481 C C . GLU B 2 105 ? 66.629 -28.747 18.004 1.00 39.20 ? 129 GLU L C 1 ATOM 2482 O O . GLU B 2 105 ? 67.141 -29.778 17.562 1.00 45.01 ? 129 GLU L O 1 ATOM 2483 C CB . GLU B 2 105 ? 64.169 -28.829 18.407 1.00 40.27 ? 129 GLU L CB 1 ATOM 2484 C CG . GLU B 2 105 ? 62.756 -28.503 17.959 1.00 63.61 ? 129 GLU L CG 1 ATOM 2485 C CD . GLU B 2 105 ? 62.078 -27.482 18.853 1.00 78.92 ? 129 GLU L CD 1 ATOM 2486 O OE1 . GLU B 2 105 ? 62.431 -26.284 18.775 1.00 88.37 ? 129 GLU L OE1 1 ATOM 2487 O OE2 . GLU B 2 105 ? 61.193 -27.880 19.638 1.00 76.21 ? 129 GLU L OE2 1 ATOM 2488 N N . ILE B 2 106 ? 67.205 -28.002 18.945 1.00 40.07 ? 130 ILE L N 1 ATOM 2489 C CA . ILE B 2 106 ? 68.567 -28.231 19.412 1.00 37.35 ? 130 ILE L CA 1 ATOM 2490 C C . ILE B 2 106 ? 68.517 -28.838 20.809 1.00 45.12 ? 130 ILE L C 1 ATOM 2491 O O . ILE B 2 106 ? 67.780 -28.353 21.675 1.00 45.94 ? 130 ILE L O 1 ATOM 2492 C CB . ILE B 2 106 ? 69.381 -26.928 19.422 1.00 48.27 ? 130 ILE L CB 1 ATOM 2493 C CG1 . ILE B 2 106 ? 69.336 -26.259 18.043 1.00 48.22 ? 130 ILE L CG1 1 ATOM 2494 C CG2 . ILE B 2 106 ? 70.812 -27.202 19.858 1.00 53.07 ? 130 ILE L CG2 1 ATOM 2495 C CD1 . ILE B 2 106 ? 69.949 -27.091 16.935 1.00 43.75 ? 130 ILE L CD1 1 ATOM 2496 N N . LYS B 2 107 ? 69.306 -29.887 21.026 1.00 42.10 ? 131 LYS L N 1 ATOM 2497 C CA . LYS B 2 107 ? 69.426 -30.508 22.343 1.00 47.98 ? 131 LYS L CA 1 ATOM 2498 C C . LYS B 2 107 ? 70.447 -29.754 23.190 1.00 39.82 ? 131 LYS L C 1 ATOM 2499 O O . LYS B 2 107 ? 71.501 -29.349 22.697 1.00 48.34 ? 131 LYS L O 1 ATOM 2500 C CB . LYS B 2 107 ? 69.859 -31.966 22.185 1.00 54.68 ? 131 LYS L CB 1 ATOM 2501 C CG . LYS B 2 107 ? 69.031 -32.988 22.933 1.00 64.84 ? 131 LYS L CG 1 ATOM 2502 C CD . LYS B 2 107 ? 69.399 -34.394 22.469 1.00 71.18 ? 131 LYS L CD 1 ATOM 2503 C CE . LYS B 2 107 ? 68.598 -35.461 23.198 1.00 78.84 ? 131 LYS L CE 1 ATOM 2504 N NZ . LYS B 2 107 ? 68.987 -36.831 22.755 1.00 82.53 ? 131 LYS L NZ 1 ATOM 2505 N N . ARG B 2 108 ? 70.143 -29.565 24.471 1.00 39.61 ? 132 ARG L N 1 ATOM 2506 C CA . ARG B 2 108 ? 71.083 -28.910 25.369 1.00 41.97 ? 132 ARG L CA 1 ATOM 2507 C C . ARG B 2 108 ? 70.931 -29.510 26.760 1.00 42.81 ? 132 ARG L C 1 ATOM 2508 O O . ARG B 2 108 ? 70.086 -30.378 26.995 1.00 49.67 ? 132 ARG L O 1 ATOM 2509 C CB . ARG B 2 108 ? 70.869 -27.393 25.406 1.00 46.30 ? 132 ARG L CB 1 ATOM 2510 C CG . ARG B 2 108 ? 69.485 -26.966 25.869 1.00 47.07 ? 132 ARG L CG 1 ATOM 2511 C CD . ARG B 2 108 ? 69.539 -25.624 26.581 1.00 44.93 ? 132 ARG L CD 1 ATOM 2512 N NE . ARG B 2 108 ? 70.112 -25.767 27.914 1.00 44.54 ? 132 ARG L NE 1 ATOM 2513 C CZ . ARG B 2 108 ? 70.640 -24.774 28.623 1.00 51.24 ? 132 ARG L CZ 1 ATOM 2514 N NH1 . ARG B 2 108 ? 70.689 -23.546 28.120 1.00 48.72 ? 132 ARG L NH1 1 ATOM 2515 N NH2 . ARG B 2 108 ? 71.125 -25.012 29.837 1.00 48.08 ? 132 ARG L NH2 1 ATOM 2516 N N . ALA B 2 109 ? 71.766 -29.040 27.684 1.00 45.58 ? 133 ALA L N 1 ATOM 2517 C CA . ALA B 2 109 ? 71.701 -29.512 29.060 1.00 49.40 ? 133 ALA L CA 1 ATOM 2518 C C . ALA B 2 109 ? 70.388 -29.094 29.710 1.00 44.56 ? 133 ALA L C 1 ATOM 2519 O O . ALA B 2 109 ? 69.791 -28.071 29.360 1.00 47.18 ? 133 ALA L O 1 ATOM 2520 C CB . ALA B 2 109 ? 72.878 -28.971 29.870 1.00 50.93 ? 133 ALA L CB 1 ATOM 2521 N N . ASP B 2 110 ? 69.931 -29.915 30.653 1.00 43.48 ? 134 ASP L N 1 ATOM 2522 C CA . ASP B 2 110 ? 68.711 -29.611 31.389 1.00 45.63 ? 134 ASP L CA 1 ATOM 2523 C C . ASP B 2 110 ? 68.829 -28.271 32.105 1.00 46.77 ? 134 ASP L C 1 ATOM 2524 O O . ASP B 2 110 ? 69.905 -27.879 32.565 1.00 48.25 ? 134 ASP L O 1 ATOM 2525 C CB . ASP B 2 110 ? 68.415 -30.709 32.413 1.00 47.67 ? 134 ASP L CB 1 ATOM 2526 C CG . ASP B 2 110 ? 68.005 -32.021 31.773 1.00 56.28 ? 134 ASP L CG 1 ATOM 2527 O OD1 . ASP B 2 110 ? 67.669 -32.030 30.569 1.00 55.67 ? 134 ASP L OD1 1 ATOM 2528 O OD2 . ASP B 2 110 ? 68.004 -33.047 32.490 1.00 61.39 ? 134 ASP L OD2 1 ATOM 2529 N N . ALA B 2 111 ? 67.701 -27.572 32.213 1.00 48.58 ? 135 ALA L N 1 ATOM 2530 C CA . ALA B 2 111 ? 67.649 -26.295 32.919 1.00 47.30 ? 135 ALA L CA 1 ATOM 2531 C C . ALA B 2 111 ? 66.286 -26.153 33.577 1.00 37.35 ? 135 ALA L C 1 ATOM 2532 O O . ALA B 2 111 ? 65.264 -26.263 32.894 1.00 40.14 ? 135 ALA L O 1 ATOM 2533 C CB . ALA B 2 111 ? 67.909 -25.132 31.956 1.00 45.64 ? 135 ALA L CB 1 ATOM 2534 N N . ALA B 2 112 ? 66.267 -25.921 34.893 1.00 40.03 ? 136 ALA L N 1 ATOM 2535 C CA . ALA B 2 112 ? 65.006 -25.721 35.592 1.00 39.38 ? 136 ALA L CA 1 ATOM 2536 C C . ALA B 2 112 ? 64.434 -24.341 35.266 1.00 36.53 ? 136 ALA L C 1 ATOM 2537 O O . ALA B 2 112 ? 65.184 -23.385 35.055 1.00 39.33 ? 136 ALA L O 1 ATOM 2538 C CB . ALA B 2 112 ? 65.194 -25.860 37.102 1.00 41.78 ? 136 ALA L CB 1 ATOM 2539 N N . PRO B 2 113 ? 63.109 -24.212 35.209 1.00 35.96 ? 137 PRO L N 1 ATOM 2540 C CA . PRO B 2 113 ? 62.513 -22.905 34.918 1.00 37.19 ? 137 PRO L CA 1 ATOM 2541 C C . PRO B 2 113 ? 62.719 -21.927 36.061 1.00 39.33 ? 137 PRO L C 1 ATOM 2542 O O . PRO B 2 113 ? 62.809 -22.310 37.231 1.00 37.48 ? 137 PRO L O 1 ATOM 2543 C CB . PRO B 2 113 ? 61.027 -23.227 34.742 1.00 39.28 ? 137 PRO L CB 1 ATOM 2544 C CG . PRO B 2 113 ? 60.816 -24.429 35.589 1.00 42.51 ? 137 PRO L CG 1 ATOM 2545 C CD . PRO B 2 113 ? 62.081 -25.241 35.435 1.00 47.06 ? 137 PRO L CD 1 ATOM 2546 N N . THR B 2 114 ? 62.790 -20.648 35.705 1.00 36.43 ? 138 THR L N 1 ATOM 2547 C CA . THR B 2 114 ? 62.759 -19.559 36.675 1.00 37.74 ? 138 THR L CA 1 ATOM 2548 C C . THR B 2 114 ? 61.333 -19.021 36.724 1.00 38.18 ? 138 THR L C 1 ATOM 2549 O O . THR B 2 114 ? 60.832 -18.482 35.728 1.00 33.64 ? 138 THR L O 1 ATOM 2550 C CB . THR B 2 114 ? 63.745 -18.454 36.302 1.00 42.29 ? 138 THR L CB 1 ATOM 2551 O OG1 . THR B 2 114 ? 65.076 -18.984 36.282 1.00 40.22 ? 138 THR L OG1 1 ATOM 2552 C CG2 . THR B 2 114 ? 63.666 -17.316 37.314 1.00 41.16 ? 138 THR L CG2 1 ATOM 2553 N N . VAL B 2 115 ? 60.688 -19.162 37.876 1.00 33.95 ? 139 VAL L N 1 ATOM 2554 C CA . VAL B 2 115 ? 59.250 -18.970 38.007 1.00 31.26 ? 139 VAL L CA 1 ATOM 2555 C C . VAL B 2 115 ? 58.982 -17.687 38.781 1.00 37.69 ? 139 VAL L C 1 ATOM 2556 O O . VAL B 2 115 ? 59.575 -17.456 39.845 1.00 35.65 ? 139 VAL L O 1 ATOM 2557 C CB . VAL B 2 115 ? 58.599 -20.180 38.692 1.00 36.32 ? 139 VAL L CB 1 ATOM 2558 C CG1 . VAL B 2 115 ? 57.083 -20.019 38.744 1.00 31.62 ? 139 VAL L CG1 1 ATOM 2559 C CG2 . VAL B 2 115 ? 59.009 -21.462 37.975 1.00 35.79 ? 139 VAL L CG2 1 ATOM 2560 N N . SER B 2 116 ? 58.077 -16.859 38.256 1.00 33.24 ? 140 SER L N 1 ATOM 2561 C CA . SER B 2 116 ? 57.692 -15.608 38.900 1.00 36.49 ? 140 SER L CA 1 ATOM 2562 C C . SER B 2 116 ? 56.182 -15.452 38.816 1.00 38.03 ? 140 SER L C 1 ATOM 2563 O O . SER B 2 116 ? 55.592 -15.708 37.762 1.00 36.08 ? 140 SER L O 1 ATOM 2564 C CB . SER B 2 116 ? 58.370 -14.404 38.238 1.00 41.93 ? 140 SER L CB 1 ATOM 2565 O OG . SER B 2 116 ? 59.763 -14.596 38.110 1.00 43.30 ? 140 SER L OG 1 ATOM 2566 N N . ILE B 2 117 ? 55.558 -15.029 39.922 1.00 31.83 ? 141 ILE L N 1 ATOM 2567 C CA . ILE B 2 117 ? 54.112 -14.855 39.963 1.00 29.59 ? 141 ILE L CA 1 ATOM 2568 C C . ILE B 2 117 ? 53.792 -13.381 40.196 1.00 28.21 ? 141 ILE L C 1 ATOM 2569 O O . ILE B 2 117 ? 54.510 -12.663 40.905 1.00 31.18 ? 141 ILE L O 1 ATOM 2570 C CB . ILE B 2 117 ? 53.465 -15.761 41.043 1.00 29.06 ? 141 ILE L CB 1 ATOM 2571 C CG1 . ILE B 2 117 ? 51.939 -15.768 40.910 1.00 29.55 ? 141 ILE L CG1 1 ATOM 2572 C CG2 . ILE B 2 117 ? 53.892 -15.315 42.447 1.00 29.49 ? 141 ILE L CG2 1 ATOM 2573 C CD1 . ILE B 2 117 ? 51.233 -16.827 41.788 1.00 31.59 ? 141 ILE L CD1 1 ATOM 2574 N N . PHE B 2 118 ? 52.685 -12.930 39.595 1.00 28.30 ? 142 PHE L N 1 ATOM 2575 C CA . PHE B 2 118 ? 52.274 -11.529 39.675 1.00 31.32 ? 142 PHE L CA 1 ATOM 2576 C C . PHE B 2 118 ? 50.781 -11.413 39.951 1.00 31.36 ? 142 PHE L C 1 ATOM 2577 O O . PHE B 2 118 ? 49.962 -11.944 39.188 1.00 31.98 ? 142 PHE L O 1 ATOM 2578 C CB . PHE B 2 118 ? 52.618 -10.783 38.373 1.00 30.56 ? 142 PHE L CB 1 ATOM 2579 C CG . PHE B 2 118 ? 54.076 -10.786 38.050 1.00 31.00 ? 142 PHE L CG 1 ATOM 2580 C CD1 . PHE B 2 118 ? 54.638 -11.844 37.344 1.00 31.08 ? 142 PHE L CD1 1 ATOM 2581 C CD2 . PHE B 2 118 ? 54.892 -9.747 38.457 1.00 30.24 ? 142 PHE L CD2 1 ATOM 2582 C CE1 . PHE B 2 118 ? 55.983 -11.858 37.068 1.00 32.88 ? 142 PHE L CE1 1 ATOM 2583 C CE2 . PHE B 2 118 ? 56.240 -9.756 38.182 1.00 35.50 ? 142 PHE L CE2 1 ATOM 2584 C CZ . PHE B 2 118 ? 56.784 -10.815 37.479 1.00 35.83 ? 142 PHE L CZ 1 ATOM 2585 N N . PRO B 2 119 ? 50.384 -10.727 41.020 1.00 31.11 ? 143 PRO L N 1 ATOM 2586 C CA . PRO B 2 119 ? 48.959 -10.473 41.258 1.00 30.89 ? 143 PRO L CA 1 ATOM 2587 C C . PRO B 2 119 ? 48.393 -9.537 40.206 1.00 32.64 ? 143 PRO L C 1 ATOM 2588 O O . PRO B 2 119 ? 49.155 -8.862 39.498 1.00 33.53 ? 143 PRO L O 1 ATOM 2589 C CB . PRO B 2 119 ? 48.945 -9.810 42.648 1.00 30.85 ? 143 PRO L CB 1 ATOM 2590 C CG . PRO B 2 119 ? 50.245 -10.194 43.277 1.00 32.75 ? 143 PRO L CG 1 ATOM 2591 C CD . PRO B 2 119 ? 51.222 -10.243 42.132 1.00 29.18 ? 143 PRO L CD 1 ATOM 2592 N N . PRO B 2 120 ? 47.067 -9.455 40.087 1.00 31.25 ? 144 PRO L N 1 ATOM 2593 C CA . PRO B 2 120 ? 46.462 -8.504 39.146 1.00 32.97 ? 144 PRO L CA 1 ATOM 2594 C C . PRO B 2 120 ? 46.924 -7.079 39.409 1.00 35.80 ? 144 PRO L C 1 ATOM 2595 O O . PRO B 2 120 ? 47.130 -6.674 40.554 1.00 35.08 ? 144 PRO L O 1 ATOM 2596 C CB . PRO B 2 120 ? 44.959 -8.655 39.408 1.00 38.38 ? 144 PRO L CB 1 ATOM 2597 C CG . PRO B 2 120 ? 44.808 -10.007 40.021 1.00 34.82 ? 144 PRO L CG 1 ATOM 2598 C CD . PRO B 2 120 ? 46.059 -10.266 40.789 1.00 32.22 ? 144 PRO L CD 1 ATOM 2599 N N . SER B 2 121 ? 47.092 -6.319 38.332 1.00 35.01 ? 145 SER L N 1 ATOM 2600 C CA . SER B 2 121 ? 47.419 -4.910 38.474 1.00 35.09 ? 145 SER L CA 1 ATOM 2601 C C . SER B 2 121 ? 46.197 -4.137 38.960 1.00 33.20 ? 145 SER L C 1 ATOM 2602 O O . SER B 2 121 ? 45.051 -4.491 38.669 1.00 34.99 ? 145 SER L O 1 ATOM 2603 C CB . SER B 2 121 ? 47.910 -4.335 37.144 1.00 37.53 ? 145 SER L CB 1 ATOM 2604 O OG . SER B 2 121 ? 46.816 -4.155 36.262 1.00 43.95 ? 145 SER L OG 1 ATOM 2605 N N . SER B 2 122 ? 46.446 -3.075 39.729 1.00 34.12 ? 146 SER L N 1 ATOM 2606 C CA . SER B 2 122 ? 45.322 -2.286 40.209 1.00 38.01 ? 146 SER L CA 1 ATOM 2607 C C . SER B 2 122 ? 44.575 -1.634 39.058 1.00 37.91 ? 146 SER L C 1 ATOM 2608 O O . SER B 2 122 ? 43.364 -1.402 39.161 1.00 40.37 ? 146 SER L O 1 ATOM 2609 C CB . SER B 2 122 ? 45.794 -1.237 41.213 1.00 44.84 ? 146 SER L CB 1 ATOM 2610 O OG . SER B 2 122 ? 46.801 -0.404 40.674 1.00 51.75 ? 146 SER L OG 1 ATOM 2611 N N . GLU B 2 123 ? 45.273 -1.350 37.953 1.00 35.08 ? 147 GLU L N 1 ATOM 2612 C CA A GLU B 2 123 ? 44.603 -0.787 36.787 0.50 40.22 ? 147 GLU L CA 1 ATOM 2613 C CA B GLU B 2 123 ? 44.620 -0.797 36.771 0.50 40.16 ? 147 GLU L CA 1 ATOM 2614 C C . GLU B 2 123 ? 43.553 -1.752 36.244 1.00 36.47 ? 147 GLU L C 1 ATOM 2615 O O . GLU B 2 123 ? 42.422 -1.347 35.950 1.00 40.69 ? 147 GLU L O 1 ATOM 2616 C CB A GLU B 2 123 ? 45.638 -0.420 35.721 0.50 43.86 ? 147 GLU L CB 1 ATOM 2617 C CB B GLU B 2 123 ? 45.664 -0.493 35.693 0.50 43.70 ? 147 GLU L CB 1 ATOM 2618 C CG A GLU B 2 123 ? 46.860 0.280 36.315 0.50 49.55 ? 147 GLU L CG 1 ATOM 2619 C CG B GLU B 2 123 ? 46.691 0.582 36.074 0.50 50.17 ? 147 GLU L CG 1 ATOM 2620 C CD A GLU B 2 123 ? 47.728 0.974 35.283 0.50 53.86 ? 147 GLU L CD 1 ATOM 2621 C CD B GLU B 2 123 ? 47.805 0.080 36.992 0.50 52.26 ? 147 GLU L CD 1 ATOM 2622 O OE1 A GLU B 2 123 ? 48.705 1.640 35.690 0.50 60.70 ? 147 GLU L OE1 1 ATOM 2623 O OE1 B GLU B 2 123 ? 47.710 -1.054 37.512 0.50 44.86 ? 147 GLU L OE1 1 ATOM 2624 O OE2 A GLU B 2 123 ? 47.436 0.862 34.074 0.50 53.33 ? 147 GLU L OE2 1 ATOM 2625 O OE2 B GLU B 2 123 ? 48.782 0.835 37.194 0.50 61.04 ? 147 GLU L OE2 1 ATOM 2626 N N . GLN B 2 124 ? 43.888 -3.038 36.154 1.00 35.21 ? 148 GLN L N 1 ATOM 2627 C CA . GLN B 2 124 ? 42.900 -4.011 35.690 1.00 33.83 ? 148 GLN L CA 1 ATOM 2628 C C . GLN B 2 124 ? 41.759 -4.175 36.690 1.00 38.56 ? 148 GLN L C 1 ATOM 2629 O O . GLN B 2 124 ? 40.589 -4.272 36.295 1.00 35.72 ? 148 GLN L O 1 ATOM 2630 C CB . GLN B 2 124 ? 43.571 -5.355 35.408 1.00 35.60 ? 148 GLN L CB 1 ATOM 2631 C CG . GLN B 2 124 ? 42.590 -6.405 34.889 1.00 34.82 ? 148 GLN L CG 1 ATOM 2632 C CD . GLN B 2 124 ? 43.204 -7.777 34.713 1.00 32.84 ? 148 GLN L CD 1 ATOM 2633 O OE1 . GLN B 2 124 ? 44.175 -8.135 35.382 1.00 31.53 ? 148 GLN L OE1 1 ATOM 2634 N NE2 . GLN B 2 124 ? 42.631 -8.564 33.800 1.00 33.22 ? 148 GLN L NE2 1 ATOM 2635 N N . LEU B 2 125 ? 42.070 -4.201 37.990 1.00 32.61 ? 149 LEU L N 1 ATOM 2636 C CA . LEU B 2 125 ? 41.017 -4.383 38.985 1.00 36.84 ? 149 LEU L CA 1 ATOM 2637 C C . LEU B 2 125 ? 39.990 -3.257 38.912 1.00 42.32 ? 149 LEU L C 1 ATOM 2638 O O . LEU B 2 125 ? 38.790 -3.487 39.104 1.00 43.13 ? 149 LEU L O 1 ATOM 2639 C CB . LEU B 2 125 ? 41.624 -4.479 40.389 1.00 36.73 ? 149 LEU L CB 1 ATOM 2640 C CG . LEU B 2 125 ? 42.421 -5.762 40.627 1.00 37.90 ? 149 LEU L CG 1 ATOM 2641 C CD1 . LEU B 2 125 ? 43.228 -5.677 41.910 1.00 42.27 ? 149 LEU L CD1 1 ATOM 2642 C CD2 . LEU B 2 125 ? 41.482 -6.951 40.661 1.00 34.78 ? 149 LEU L CD2 1 ATOM 2643 N N . THR B 2 126 ? 40.441 -2.038 38.611 1.00 42.86 ? 150 THR L N 1 ATOM 2644 C CA . THR B 2 126 ? 39.516 -0.923 38.429 1.00 46.19 ? 150 THR L CA 1 ATOM 2645 C C . THR B 2 126 ? 38.473 -1.225 37.357 1.00 50.42 ? 150 THR L C 1 ATOM 2646 O O . THR B 2 126 ? 37.312 -0.817 37.480 1.00 50.44 ? 150 THR L O 1 ATOM 2647 C CB . THR B 2 126 ? 40.298 0.340 38.073 1.00 52.02 ? 150 THR L CB 1 ATOM 2648 O OG1 . THR B 2 126 ? 41.150 0.687 39.171 1.00 54.88 ? 150 THR L OG1 1 ATOM 2649 C CG2 . THR B 2 126 ? 39.357 1.499 37.793 1.00 57.71 ? 150 THR L CG2 1 ATOM 2650 N N . SER B 2 127 ? 38.859 -1.945 36.304 1.00 49.00 ? 151 SER L N 1 ATOM 2651 C CA . SER B 2 127 ? 37.955 -2.224 35.195 1.00 50.95 ? 151 SER L CA 1 ATOM 2652 C C . SER B 2 127 ? 37.129 -3.489 35.402 1.00 51.51 ? 151 SER L C 1 ATOM 2653 O O . SER B 2 127 ? 36.351 -3.856 34.515 1.00 50.85 ? 151 SER L O 1 ATOM 2654 C CB . SER B 2 127 ? 38.738 -2.317 33.873 1.00 47.88 ? 151 SER L CB 1 ATOM 2655 O OG . SER B 2 127 ? 39.630 -3.418 33.864 1.00 52.22 ? 151 SER L OG 1 ATOM 2656 N N . GLY B 2 128 ? 37.277 -4.164 36.541 1.00 42.95 ? 152 GLY L N 1 ATOM 2657 C CA . GLY B 2 128 ? 36.436 -5.293 36.878 1.00 42.46 ? 152 GLY L CA 1 ATOM 2658 C C . GLY B 2 128 ? 37.007 -6.663 36.576 1.00 39.96 ? 152 GLY L C 1 ATOM 2659 O O . GLY B 2 128 ? 36.341 -7.665 36.875 1.00 44.24 ? 152 GLY L O 1 ATOM 2660 N N . GLY B 2 129 ? 38.207 -6.747 36.000 1.00 40.16 ? 153 GLY L N 1 ATOM 2661 C CA . GLY B 2 129 ? 38.851 -8.010 35.720 1.00 42.32 ? 153 GLY L CA 1 ATOM 2662 C C . GLY B 2 129 ? 40.046 -8.228 36.636 1.00 38.49 ? 153 GLY L C 1 ATOM 2663 O O . GLY B 2 129 ? 40.522 -7.315 37.307 1.00 37.87 ? 153 GLY L O 1 ATOM 2664 N N . ALA B 2 130 ? 40.522 -9.476 36.667 1.00 33.00 ? 154 ALA L N 1 ATOM 2665 C CA . ALA B 2 130 ? 41.632 -9.832 37.557 1.00 31.25 ? 154 ALA L CA 1 ATOM 2666 C C . ALA B 2 130 ? 42.421 -10.979 36.924 1.00 33.06 ? 154 ALA L C 1 ATOM 2667 O O . ALA B 2 130 ? 41.996 -12.138 36.989 1.00 37.74 ? 154 ALA L O 1 ATOM 2668 C CB . ALA B 2 130 ? 41.114 -10.203 38.943 1.00 31.75 ? 154 ALA L CB 1 ATOM 2669 N N . SER B 2 131 ? 43.575 -10.660 36.338 1.00 30.24 ? 155 SER L N 1 ATOM 2670 C CA . SER B 2 131 ? 44.457 -11.666 35.755 1.00 33.53 ? 155 SER L CA 1 ATOM 2671 C C . SER B 2 131 ? 45.664 -11.874 36.658 1.00 32.62 ? 155 SER L C 1 ATOM 2672 O O . SER B 2 131 ? 46.346 -10.909 37.026 1.00 32.76 ? 155 SER L O 1 ATOM 2673 C CB . SER B 2 131 ? 44.921 -11.261 34.350 1.00 30.24 ? 155 SER L CB 1 ATOM 2674 O OG . SER B 2 131 ? 43.827 -11.213 33.464 1.00 30.89 ? 155 SER L OG 1 ATOM 2675 N N . VAL B 2 132 ? 45.931 -13.133 37.000 1.00 28.43 ? 156 VAL L N 1 ATOM 2676 C CA . VAL B 2 132 ? 47.151 -13.528 37.702 1.00 29.72 ? 156 VAL L CA 1 ATOM 2677 C C . VAL B 2 132 ? 48.099 -14.149 36.682 1.00 30.68 ? 156 VAL L C 1 ATOM 2678 O O . VAL B 2 132 ? 47.699 -15.030 35.912 1.00 29.20 ? 156 VAL L O 1 ATOM 2679 C CB . VAL B 2 132 ? 46.847 -14.520 38.841 1.00 32.19 ? 156 VAL L CB 1 ATOM 2680 C CG1 . VAL B 2 132 ? 48.046 -14.624 39.769 1.00 29.65 ? 156 VAL L CG1 1 ATOM 2681 C CG2 . VAL B 2 132 ? 45.593 -14.107 39.617 1.00 35.33 ? 156 VAL L CG2 1 ATOM 2682 N N . VAL B 2 133 ? 49.362 -13.723 36.692 1.00 27.06 ? 157 VAL L N 1 ATOM 2683 C CA . VAL B 2 133 ? 50.328 -14.105 35.661 1.00 27.36 ? 157 VAL L CA 1 ATOM 2684 C C . VAL B 2 133 ? 51.492 -14.852 36.302 1.00 32.22 ? 157 VAL L C 1 ATOM 2685 O O . VAL B 2 133 ? 52.018 -14.428 37.340 1.00 32.03 ? 157 VAL L O 1 ATOM 2686 C CB . VAL B 2 133 ? 50.839 -12.880 34.880 1.00 30.77 ? 157 VAL L CB 1 ATOM 2687 C CG1 . VAL B 2 133 ? 51.907 -13.307 33.864 1.00 29.00 ? 157 VAL L CG1 1 ATOM 2688 C CG2 . VAL B 2 133 ? 49.686 -12.180 34.170 1.00 31.63 ? 157 VAL L CG2 1 ATOM 2689 N N . CYS B 2 134 ? 51.877 -15.972 35.689 1.00 26.59 ? 158 CYS L N 1 ATOM 2690 C CA A CYS B 2 134 ? 53.044 -16.762 36.069 0.50 27.95 ? 158 CYS L CA 1 ATOM 2691 C CA B CYS B 2 134 ? 53.074 -16.707 36.075 0.50 27.66 ? 158 CYS L CA 1 ATOM 2692 C C . CYS B 2 134 ? 53.953 -16.897 34.853 1.00 34.01 ? 158 CYS L C 1 ATOM 2693 O O . CYS B 2 134 ? 53.507 -17.399 33.816 1.00 33.45 ? 158 CYS L O 1 ATOM 2694 C CB A CYS B 2 134 ? 52.596 -18.141 36.560 0.50 30.49 ? 158 CYS L CB 1 ATOM 2695 C CB B CYS B 2 134 ? 52.757 -18.064 36.721 0.50 30.62 ? 158 CYS L CB 1 ATOM 2696 S SG A CYS B 2 134 ? 53.848 -19.172 37.328 0.50 28.66 ? 158 CYS L SG 1 ATOM 2697 S SG B CYS B 2 134 ? 52.644 -17.913 38.525 0.50 42.26 ? 158 CYS L SG 1 ATOM 2698 N N . PHE B 2 135 ? 55.207 -16.466 34.971 1.00 26.36 ? 159 PHE L N 1 ATOM 2699 C CA . PHE B 2 135 ? 56.194 -16.688 33.920 1.00 29.85 ? 159 PHE L CA 1 ATOM 2700 C C . PHE B 2 135 ? 57.098 -17.835 34.346 1.00 38.14 ? 159 PHE L C 1 ATOM 2701 O O . PHE B 2 135 ? 57.513 -17.912 35.509 1.00 35.86 ? 159 PHE L O 1 ATOM 2702 C CB . PHE B 2 135 ? 57.052 -15.447 33.639 1.00 26.90 ? 159 PHE L CB 1 ATOM 2703 C CG . PHE B 2 135 ? 56.295 -14.278 33.084 1.00 34.01 ? 159 PHE L CG 1 ATOM 2704 C CD1 . PHE B 2 135 ? 55.718 -14.334 31.818 1.00 33.33 ? 159 PHE L CD1 1 ATOM 2705 C CD2 . PHE B 2 135 ? 56.225 -13.088 33.791 1.00 31.40 ? 159 PHE L CD2 1 ATOM 2706 C CE1 . PHE B 2 135 ? 55.043 -13.241 31.307 1.00 33.18 ? 159 PHE L CE1 1 ATOM 2707 C CE2 . PHE B 2 135 ? 55.554 -11.993 33.284 1.00 35.85 ? 159 PHE L CE2 1 ATOM 2708 C CZ . PHE B 2 135 ? 54.960 -12.069 32.037 1.00 35.16 ? 159 PHE L CZ 1 ATOM 2709 N N . LEU B 2 136 ? 57.378 -18.738 33.412 1.00 29.09 ? 160 LEU L N 1 ATOM 2710 C CA . LEU B 2 136 ? 58.265 -19.874 33.657 1.00 30.36 ? 160 LEU L CA 1 ATOM 2711 C C . LEU B 2 136 ? 59.342 -19.817 32.584 1.00 33.99 ? 160 LEU L C 1 ATOM 2712 O O . LEU B 2 136 ? 59.090 -20.178 31.429 1.00 33.72 ? 160 LEU L O 1 ATOM 2713 C CB . LEU B 2 136 ? 57.501 -21.189 33.636 1.00 30.29 ? 160 LEU L CB 1 ATOM 2714 C CG . LEU B 2 136 ? 56.313 -21.259 34.601 1.00 39.38 ? 160 LEU L CG 1 ATOM 2715 C CD1 . LEU B 2 136 ? 55.027 -20.734 33.969 1.00 43.56 ? 160 LEU L CD1 1 ATOM 2716 C CD2 . LEU B 2 136 ? 56.137 -22.679 35.012 1.00 43.16 ? 160 LEU L CD2 1 ATOM 2717 N N . ASN B 2 137 ? 60.534 -19.346 32.950 1.00 29.80 ? 161 ASN L N 1 ATOM 2718 C CA . ASN B 2 137 ? 61.478 -18.854 31.954 1.00 30.75 ? 161 ASN L CA 1 ATOM 2719 C C . ASN B 2 137 ? 62.768 -19.661 31.895 1.00 37.89 ? 161 ASN L C 1 ATOM 2720 O O . ASN B 2 137 ? 63.305 -20.085 32.925 1.00 34.66 ? 161 ASN L O 1 ATOM 2721 C CB . ASN B 2 137 ? 61.808 -17.378 32.193 1.00 32.09 ? 161 ASN L CB 1 ATOM 2722 C CG . ASN B 2 137 ? 60.668 -16.470 31.789 1.00 39.76 ? 161 ASN L CG 1 ATOM 2723 O OD1 . ASN B 2 137 ? 59.752 -16.897 31.082 1.00 37.22 ? 161 ASN L OD1 1 ATOM 2724 N ND2 . ASN B 2 137 ? 60.710 -15.218 32.231 1.00 35.50 ? 161 ASN L ND2 1 ATOM 2725 N N . ASN B 2 138 ? 63.239 -19.860 30.657 1.00 32.44 ? 162 ASN L N 1 ATOM 2726 C CA . ASN B 2 138 ? 64.569 -20.384 30.334 1.00 34.83 ? 162 ASN L CA 1 ATOM 2727 C C . ASN B 2 138 ? 64.771 -21.803 30.868 1.00 34.59 ? 162 ASN L C 1 ATOM 2728 O O . ASN B 2 138 ? 65.711 -22.087 31.610 1.00 43.19 ? 162 ASN L O 1 ATOM 2729 C CB . ASN B 2 138 ? 65.672 -19.447 30.840 1.00 37.72 ? 162 ASN L CB 1 ATOM 2730 C CG . ASN B 2 138 ? 65.576 -18.060 30.244 1.00 43.60 ? 162 ASN L CG 1 ATOM 2731 O OD1 . ASN B 2 138 ? 65.018 -17.156 30.858 1.00 47.29 ? 162 ASN L OD1 1 ATOM 2732 N ND2 . ASN B 2 138 ? 66.123 -17.880 29.043 1.00 43.13 ? 162 ASN L ND2 1 ATOM 2733 N N . PHE B 2 139 ? 63.894 -22.707 30.440 1.00 35.39 ? 163 PHE L N 1 ATOM 2734 C CA . PHE B 2 139 ? 63.955 -24.092 30.876 1.00 34.80 ? 163 PHE L CA 1 ATOM 2735 C C . PHE B 2 139 ? 64.211 -25.018 29.691 1.00 38.89 ? 163 PHE L C 1 ATOM 2736 O O . PHE B 2 139 ? 64.022 -24.655 28.518 1.00 39.20 ? 163 PHE L O 1 ATOM 2737 C CB . PHE B 2 139 ? 62.670 -24.515 31.630 1.00 33.17 ? 163 PHE L CB 1 ATOM 2738 C CG . PHE B 2 139 ? 61.399 -24.375 30.821 1.00 34.17 ? 163 PHE L CG 1 ATOM 2739 C CD1 . PHE B 2 139 ? 60.962 -25.405 30.001 1.00 35.78 ? 163 PHE L CD1 1 ATOM 2740 C CD2 . PHE B 2 139 ? 60.637 -23.221 30.897 1.00 30.36 ? 163 PHE L CD2 1 ATOM 2741 C CE1 . PHE B 2 139 ? 59.790 -25.277 29.252 1.00 36.09 ? 163 PHE L CE1 1 ATOM 2742 C CE2 . PHE B 2 139 ? 59.462 -23.086 30.159 1.00 31.93 ? 163 PHE L CE2 1 ATOM 2743 C CZ . PHE B 2 139 ? 59.040 -24.116 29.338 1.00 35.07 ? 163 PHE L CZ 1 ATOM 2744 N N . TYR B 2 140 ? 64.684 -26.217 30.019 1.00 37.06 ? 164 TYR L N 1 ATOM 2745 C CA . TYR B 2 140 ? 64.895 -27.280 29.042 1.00 36.51 ? 164 TYR L CA 1 ATOM 2746 C C . TYR B 2 140 ? 64.903 -28.623 29.779 1.00 40.71 ? 164 TYR L C 1 ATOM 2747 O O . TYR B 2 140 ? 65.550 -28.746 30.819 1.00 40.59 ? 164 TYR L O 1 ATOM 2748 C CB . TYR B 2 140 ? 66.204 -27.082 28.259 1.00 38.87 ? 164 TYR L CB 1 ATOM 2749 C CG . TYR B 2 140 ? 66.312 -28.073 27.126 1.00 43.65 ? 164 TYR L CG 1 ATOM 2750 C CD1 . TYR B 2 140 ? 66.806 -29.353 27.346 1.00 44.84 ? 164 TYR L CD1 1 ATOM 2751 C CD2 . TYR B 2 140 ? 65.871 -27.748 25.845 1.00 42.16 ? 164 TYR L CD2 1 ATOM 2752 C CE1 . TYR B 2 140 ? 66.865 -30.273 26.325 1.00 48.68 ? 164 TYR L CE1 1 ATOM 2753 C CE2 . TYR B 2 140 ? 65.931 -28.666 24.820 1.00 42.94 ? 164 TYR L CE2 1 ATOM 2754 C CZ . TYR B 2 140 ? 66.429 -29.923 25.071 1.00 47.30 ? 164 TYR L CZ 1 ATOM 2755 O OH . TYR B 2 140 ? 66.490 -30.845 24.065 1.00 50.74 ? 164 TYR L OH 1 ATOM 2756 N N . PRO B 2 141 ? 64.219 -29.649 29.234 1.00 46.32 ? 165 PRO L N 1 ATOM 2757 C CA . PRO B 2 141 ? 63.496 -29.727 27.957 1.00 46.05 ? 165 PRO L CA 1 ATOM 2758 C C . PRO B 2 141 ? 62.148 -29.014 27.966 1.00 49.59 ? 165 PRO L C 1 ATOM 2759 O O . PRO B 2 141 ? 61.782 -28.436 28.979 1.00 40.51 ? 165 PRO L O 1 ATOM 2760 C CB . PRO B 2 141 ? 63.320 -31.235 27.751 1.00 45.45 ? 165 PRO L CB 1 ATOM 2761 C CG . PRO B 2 141 ? 63.277 -31.793 29.111 1.00 48.96 ? 165 PRO L CG 1 ATOM 2762 C CD . PRO B 2 141 ? 64.191 -30.938 29.953 1.00 44.42 ? 165 PRO L CD 1 ATOM 2763 N N . LYS B 2 142 ? 61.428 -29.051 26.839 1.00 44.69 ? 166 LYS L N 1 ATOM 2764 C CA . LYS B 2 142 ? 60.260 -28.191 26.665 1.00 33.68 ? 166 LYS L CA 1 ATOM 2765 C C . LYS B 2 142 ? 59.028 -28.684 27.416 1.00 38.21 ? 166 LYS L C 1 ATOM 2766 O O . LYS B 2 142 ? 58.113 -27.893 27.662 1.00 41.13 ? 166 LYS L O 1 ATOM 2767 C CB . LYS B 2 142 ? 59.936 -28.062 25.167 1.00 38.06 ? 166 LYS L CB 1 ATOM 2768 C CG . LYS B 2 142 ? 59.319 -29.299 24.562 1.00 47.79 ? 166 LYS L CG 1 ATOM 2769 C CD . LYS B 2 142 ? 59.407 -29.273 23.030 1.00 53.05 ? 166 LYS L CD 1 ATOM 2770 C CE . LYS B 2 142 ? 58.863 -30.560 22.447 1.00 59.62 ? 166 LYS L CE 1 ATOM 2771 N NZ . LYS B 2 142 ? 59.078 -30.674 20.978 1.00 63.38 ? 166 LYS L NZ 1 ATOM 2772 N N . ASP B 2 143 ? 58.977 -29.957 27.794 1.00 38.57 ? 167 ASP L N 1 ATOM 2773 C CA A ASP B 2 143 ? 57.763 -30.487 28.398 0.50 37.14 ? 167 ASP L CA 1 ATOM 2774 C CA B ASP B 2 143 ? 57.791 -30.529 28.417 0.50 37.28 ? 167 ASP L CA 1 ATOM 2775 C C . ASP B 2 143 ? 57.676 -30.024 29.846 1.00 40.07 ? 167 ASP L C 1 ATOM 2776 O O . ASP B 2 143 ? 58.585 -30.247 30.651 1.00 42.37 ? 167 ASP L O 1 ATOM 2777 C CB A ASP B 2 143 ? 57.703 -32.009 28.285 0.50 39.10 ? 167 ASP L CB 1 ATOM 2778 C CB B ASP B 2 143 ? 57.884 -32.053 28.393 0.50 39.45 ? 167 ASP L CB 1 ATOM 2779 C CG A ASP B 2 143 ? 57.289 -32.471 26.885 0.50 48.62 ? 167 ASP L CG 1 ATOM 2780 C CG B ASP B 2 143 ? 58.479 -32.580 27.093 0.50 46.45 ? 167 ASP L CG 1 ATOM 2781 O OD1 A ASP B 2 143 ? 56.174 -32.117 26.433 0.50 42.06 ? 167 ASP L OD1 1 ATOM 2782 O OD1 B ASP B 2 143 ? 57.720 -32.692 26.107 0.50 45.36 ? 167 ASP L OD1 1 ATOM 2783 O OD2 A ASP B 2 143 ? 58.081 -33.189 26.236 0.50 48.61 ? 167 ASP L OD2 1 ATOM 2784 O OD2 B ASP B 2 143 ? 59.697 -32.877 27.053 0.50 40.71 ? 167 ASP L OD2 1 ATOM 2785 N N . ILE B 2 144 ? 56.576 -29.350 30.162 1.00 33.26 ? 168 ILE L N 1 ATOM 2786 C CA . ILE B 2 144 ? 56.409 -28.727 31.467 1.00 32.25 ? 168 ILE L CA 1 ATOM 2787 C C . ILE B 2 144 ? 54.921 -28.632 31.745 1.00 43.16 ? 168 ILE L C 1 ATOM 2788 O O . ILE B 2 144 ? 54.110 -28.481 30.830 1.00 36.51 ? 168 ILE L O 1 ATOM 2789 C CB . ILE B 2 144 ? 57.094 -27.342 31.497 1.00 31.97 ? 168 ILE L CB 1 ATOM 2790 C CG1 . ILE B 2 144 ? 57.120 -26.779 32.915 1.00 32.96 ? 168 ILE L CG1 1 ATOM 2791 C CG2 . ILE B 2 144 ? 56.403 -26.389 30.533 1.00 33.63 ? 168 ILE L CG2 1 ATOM 2792 C CD1 . ILE B 2 144 ? 57.896 -25.488 33.039 1.00 35.89 ? 168 ILE L CD1 1 ATOM 2793 N N . ASN B 2 145 ? 54.550 -28.755 33.013 1.00 33.94 ? 169 ASN L N 1 ATOM 2794 C CA . ASN B 2 145 ? 53.146 -28.672 33.378 1.00 35.00 ? 169 ASN L CA 1 ATOM 2795 C C . ASN B 2 145 ? 52.967 -27.604 34.441 1.00 44.90 ? 169 ASN L C 1 ATOM 2796 O O . ASN B 2 145 ? 53.769 -27.513 35.377 1.00 45.84 ? 169 ASN L O 1 ATOM 2797 C CB . ASN B 2 145 ? 52.627 -30.039 33.822 1.00 35.92 ? 169 ASN L CB 1 ATOM 2798 C CG . ASN B 2 145 ? 52.405 -30.976 32.622 1.00 61.43 ? 169 ASN L CG 1 ATOM 2799 O OD1 . ASN B 2 145 ? 51.686 -30.630 31.682 1.00 62.82 ? 169 ASN L OD1 1 ATOM 2800 N ND2 . ASN B 2 145 ? 53.054 -32.136 32.633 1.00 55.10 ? 169 ASN L ND2 1 ATOM 2801 N N . VAL B 2 146 ? 51.948 -26.765 34.265 1.00 30.46 ? 170 VAL L N 1 ATOM 2802 C CA . VAL B 2 146 ? 51.627 -25.706 35.217 1.00 30.70 ? 170 VAL L CA 1 ATOM 2803 C C . VAL B 2 146 ? 50.227 -25.948 35.755 1.00 30.07 ? 170 VAL L C 1 ATOM 2804 O O . VAL B 2 146 ? 49.300 -26.240 34.989 1.00 30.81 ? 170 VAL L O 1 ATOM 2805 C CB . VAL B 2 146 ? 51.718 -24.308 34.582 1.00 37.20 ? 170 VAL L CB 1 ATOM 2806 C CG1 . VAL B 2 146 ? 51.413 -23.250 35.627 1.00 37.88 ? 170 VAL L CG1 1 ATOM 2807 C CG2 . VAL B 2 146 ? 53.089 -24.102 33.985 1.00 45.20 ? 170 VAL L CG2 1 ATOM 2808 N N . LYS B 2 147 ? 50.092 -25.864 37.074 1.00 30.37 ? 171 LYS L N 1 ATOM 2809 C CA A LYS B 2 147 ? 48.818 -26.008 37.759 0.50 33.27 ? 171 LYS L CA 1 ATOM 2810 C CA B LYS B 2 147 ? 48.826 -26.018 37.772 0.50 33.35 ? 171 LYS L CA 1 ATOM 2811 C C . LYS B 2 147 ? 48.562 -24.753 38.578 1.00 31.19 ? 171 LYS L C 1 ATOM 2812 O O . LYS B 2 147 ? 49.463 -24.253 39.261 1.00 33.54 ? 171 LYS L O 1 ATOM 2813 C CB A LYS B 2 147 ? 48.801 -27.242 38.677 0.50 35.01 ? 171 LYS L CB 1 ATOM 2814 C CB B LYS B 2 147 ? 48.877 -27.249 38.685 0.50 35.14 ? 171 LYS L CB 1 ATOM 2815 C CG A LYS B 2 147 ? 49.030 -28.567 37.965 0.50 38.53 ? 171 LYS L CG 1 ATOM 2816 C CG B LYS B 2 147 ? 47.557 -27.685 39.284 0.50 42.89 ? 171 LYS L CG 1 ATOM 2817 C CD A LYS B 2 147 ? 48.599 -29.753 38.816 0.50 54.01 ? 171 LYS L CD 1 ATOM 2818 C CD B LYS B 2 147 ? 47.641 -29.145 39.718 0.50 50.52 ? 171 LYS L CD 1 ATOM 2819 C CE A LYS B 2 147 ? 48.466 -31.013 37.963 0.50 59.01 ? 171 LYS L CE 1 ATOM 2820 C CE B LYS B 2 147 ? 48.164 -30.006 38.571 0.50 56.01 ? 171 LYS L CE 1 ATOM 2821 N NZ A LYS B 2 147 ? 47.842 -32.141 38.707 0.50 66.00 ? 171 LYS L NZ 1 ATOM 2822 N NZ B LYS B 2 147 ? 48.120 -31.466 38.851 0.50 61.46 ? 171 LYS L NZ 1 ATOM 2823 N N . TRP B 2 148 ? 47.345 -24.224 38.486 1.00 29.66 ? 172 TRP L N 1 ATOM 2824 C CA . TRP B 2 148 ? 46.936 -23.087 39.306 1.00 28.89 ? 172 TRP L CA 1 ATOM 2825 C C . TRP B 2 148 ? 46.133 -23.604 40.493 1.00 30.11 ? 172 TRP L C 1 ATOM 2826 O O . TRP B 2 148 ? 45.318 -24.516 40.348 1.00 31.30 ? 172 TRP L O 1 ATOM 2827 C CB . TRP B 2 148 ? 46.096 -22.090 38.499 1.00 31.26 ? 172 TRP L CB 1 ATOM 2828 C CG . TRP B 2 148 ? 46.906 -21.224 37.595 1.00 27.84 ? 172 TRP L CG 1 ATOM 2829 C CD1 . TRP B 2 148 ? 47.157 -21.435 36.262 1.00 31.19 ? 172 TRP L CD1 1 ATOM 2830 C CD2 . TRP B 2 148 ? 47.596 -20.024 37.950 1.00 27.88 ? 172 TRP L CD2 1 ATOM 2831 N NE1 . TRP B 2 148 ? 47.947 -20.427 35.767 1.00 30.26 ? 172 TRP L NE1 1 ATOM 2832 C CE2 . TRP B 2 148 ? 48.238 -19.551 36.777 1.00 25.93 ? 172 TRP L CE2 1 ATOM 2833 C CE3 . TRP B 2 148 ? 47.728 -19.295 39.135 1.00 29.10 ? 172 TRP L CE3 1 ATOM 2834 C CZ2 . TRP B 2 148 ? 48.995 -18.388 36.764 1.00 29.44 ? 172 TRP L CZ2 1 ATOM 2835 C CZ3 . TRP B 2 148 ? 48.487 -18.140 39.124 1.00 34.22 ? 172 TRP L CZ3 1 ATOM 2836 C CH2 . TRP B 2 148 ? 49.112 -17.695 37.940 1.00 33.59 ? 172 TRP L CH2 1 ATOM 2837 N N . LYS B 2 149 ? 46.382 -23.040 41.675 1.00 30.19 ? 173 LYS L N 1 ATOM 2838 C CA . LYS B 2 149 ? 45.554 -23.351 42.831 1.00 34.91 ? 173 LYS L CA 1 ATOM 2839 C C . LYS B 2 149 ? 45.060 -22.060 43.458 1.00 34.28 ? 173 LYS L C 1 ATOM 2840 O O . LYS B 2 149 ? 45.799 -21.072 43.526 1.00 33.65 ? 173 LYS L O 1 ATOM 2841 C CB . LYS B 2 149 ? 46.314 -24.192 43.864 1.00 35.08 ? 173 LYS L CB 1 ATOM 2842 C CG . LYS B 2 149 ? 46.657 -25.574 43.346 1.00 41.11 ? 173 LYS L CG 1 ATOM 2843 C CD . LYS B 2 149 ? 47.433 -26.394 44.357 1.00 50.21 ? 173 LYS L CD 1 ATOM 2844 C CE . LYS B 2 149 ? 47.935 -27.676 43.707 1.00 56.63 ? 173 LYS L CE 1 ATOM 2845 N NZ . LYS B 2 149 ? 48.658 -28.559 44.660 1.00 58.03 ? 173 LYS L NZ 1 ATOM 2846 N N . ILE B 2 150 ? 43.803 -22.073 43.897 1.00 33.96 ? 174 ILE L N 1 ATOM 2847 C CA . ILE B 2 150 ? 43.184 -20.952 44.589 1.00 32.15 ? 174 ILE L CA 1 ATOM 2848 C C . ILE B 2 150 ? 42.738 -21.467 45.946 1.00 34.21 ? 174 ILE L C 1 ATOM 2849 O O . ILE B 2 150 ? 41.901 -22.378 46.021 1.00 33.65 ? 174 ILE L O 1 ATOM 2850 C CB . ILE B 2 150 ? 41.992 -20.374 43.813 1.00 36.31 ? 174 ILE L CB 1 ATOM 2851 C CG1 . ILE B 2 150 ? 42.389 -20.030 42.372 1.00 34.78 ? 174 ILE L CG1 1 ATOM 2852 C CG2 . ILE B 2 150 ? 41.433 -19.157 44.544 1.00 34.05 ? 174 ILE L CG2 1 ATOM 2853 C CD1 . ILE B 2 150 ? 41.233 -19.529 41.546 1.00 35.64 ? 174 ILE L CD1 1 ATOM 2854 N N . ASP B 2 151 ? 43.313 -20.910 47.011 1.00 35.52 ? 175 ASP L N 1 ATOM 2855 C CA . ASP B 2 151 ? 43.092 -21.424 48.363 1.00 37.48 ? 175 ASP L CA 1 ATOM 2856 C C . ASP B 2 151 ? 43.262 -22.942 48.398 1.00 37.39 ? 175 ASP L C 1 ATOM 2857 O O . ASP B 2 151 ? 42.487 -23.660 49.026 1.00 38.05 ? 175 ASP L O 1 ATOM 2858 C CB . ASP B 2 151 ? 41.716 -21.017 48.893 1.00 42.63 ? 175 ASP L CB 1 ATOM 2859 C CG . ASP B 2 151 ? 41.648 -19.548 49.281 1.00 47.43 ? 175 ASP L CG 1 ATOM 2860 O OD1 . ASP B 2 151 ? 42.715 -18.915 49.455 1.00 38.65 ? 175 ASP L OD1 1 ATOM 2861 O OD2 . ASP B 2 151 ? 40.519 -19.029 49.420 1.00 50.60 ? 175 ASP L OD2 1 ATOM 2862 N N . GLY B 2 152 ? 44.262 -23.440 47.663 1.00 38.41 ? 176 GLY L N 1 ATOM 2863 C CA . GLY B 2 152 ? 44.588 -24.848 47.671 1.00 41.67 ? 176 GLY L CA 1 ATOM 2864 C C . GLY B 2 152 ? 43.832 -25.719 46.682 1.00 42.15 ? 176 GLY L C 1 ATOM 2865 O O . GLY B 2 152 ? 44.154 -26.907 46.569 1.00 42.30 ? 176 GLY L O 1 ATOM 2866 N N . SER B 2 153 ? 42.841 -25.183 45.970 1.00 37.15 ? 177 SER L N 1 ATOM 2867 C CA . SER B 2 153 ? 42.018 -25.972 45.057 1.00 37.17 ? 177 SER L CA 1 ATOM 2868 C C . SER B 2 153 ? 42.435 -25.692 43.621 1.00 35.61 ? 177 SER L C 1 ATOM 2869 O O . SER B 2 153 ? 42.569 -24.532 43.234 1.00 33.75 ? 177 SER L O 1 ATOM 2870 C CB . SER B 2 153 ? 40.536 -25.649 45.231 1.00 40.53 ? 177 SER L CB 1 ATOM 2871 O OG . SER B 2 153 ? 40.085 -26.000 46.523 1.00 49.43 ? 177 SER L OG 1 ATOM 2872 N N . GLU B 2 154 ? 42.617 -26.753 42.842 1.00 36.75 ? 178 GLU L N 1 ATOM 2873 C CA . GLU B 2 154 ? 43.074 -26.602 41.468 1.00 37.47 ? 178 GLU L CA 1 ATOM 2874 C C . GLU B 2 154 ? 42.036 -25.851 40.646 1.00 34.79 ? 178 GLU L C 1 ATOM 2875 O O . GLU B 2 154 ? 40.834 -26.102 40.754 1.00 37.57 ? 178 GLU L O 1 ATOM 2876 C CB . GLU B 2 154 ? 43.350 -27.973 40.854 1.00 42.00 ? 178 GLU L CB 1 ATOM 2877 C CG . GLU B 2 154 ? 43.816 -27.927 39.391 1.00 49.45 ? 178 GLU L CG 1 ATOM 2878 C CD . GLU B 2 154 ? 43.686 -29.272 38.692 1.00 60.63 ? 178 GLU L CD 1 ATOM 2879 O OE1 . GLU B 2 154 ? 42.560 -29.828 38.651 1.00 55.70 ? 178 GLU L OE1 1 ATOM 2880 O OE2 . GLU B 2 154 ? 44.714 -29.769 38.182 1.00 65.83 ? 178 GLU L OE2 1 ATOM 2881 N N . ARG B 2 155 ? 42.514 -24.926 39.817 1.00 36.42 ? 179 ARG L N 1 ATOM 2882 C CA . ARG B 2 155 ? 41.679 -24.106 38.950 1.00 32.53 ? 179 ARG L CA 1 ATOM 2883 C C . ARG B 2 155 ? 42.143 -24.303 37.514 1.00 32.52 ? 179 ARG L C 1 ATOM 2884 O O . ARG B 2 155 ? 43.307 -24.045 37.206 1.00 31.64 ? 179 ARG L O 1 ATOM 2885 C CB . ARG B 2 155 ? 41.799 -22.635 39.345 1.00 32.68 ? 179 ARG L CB 1 ATOM 2886 C CG . ARG B 2 155 ? 41.070 -21.688 38.439 1.00 36.67 ? 179 ARG L CG 1 ATOM 2887 C CD . ARG B 2 155 ? 39.592 -21.928 38.488 1.00 42.89 ? 179 ARG L CD 1 ATOM 2888 N NE . ARG B 2 155 ? 38.895 -20.969 37.643 1.00 45.74 ? 179 ARG L NE 1 ATOM 2889 C CZ . ARG B 2 155 ? 38.039 -20.058 38.087 1.00 48.79 ? 179 ARG L CZ 1 ATOM 2890 N NH1 . ARG B 2 155 ? 37.742 -19.994 39.381 1.00 42.99 ? 179 ARG L NH1 1 ATOM 2891 N NH2 . ARG B 2 155 ? 37.461 -19.230 37.227 1.00 51.63 ? 179 ARG L NH2 1 ATOM 2892 N N . GLN B 2 156 ? 41.245 -24.752 36.641 1.00 29.08 ? 180 GLN L N 1 ATOM 2893 C CA . GLN B 2 156 ? 41.605 -24.905 35.229 1.00 37.41 ? 180 GLN L CA 1 ATOM 2894 C C . GLN B 2 156 ? 40.907 -23.914 34.310 1.00 38.53 ? 180 GLN L C 1 ATOM 2895 O O . GLN B 2 156 ? 41.522 -23.419 33.357 1.00 36.22 ? 180 GLN L O 1 ATOM 2896 C CB . GLN B 2 156 ? 41.310 -26.333 34.761 1.00 36.77 ? 180 GLN L CB 1 ATOM 2897 C CG . GLN B 2 156 ? 42.200 -27.389 35.397 1.00 33.95 ? 180 GLN L CG 1 ATOM 2898 C CD . GLN B 2 156 ? 42.054 -28.753 34.747 1.00 37.05 ? 180 GLN L CD 1 ATOM 2899 O OE1 . GLN B 2 156 ? 42.119 -28.883 33.517 1.00 31.72 ? 180 GLN L OE1 1 ATOM 2900 N NE2 . GLN B 2 156 ? 41.855 -29.778 35.560 1.00 32.69 ? 180 GLN L NE2 1 ATOM 2901 N N . ASN B 2 157 ? 39.638 -23.615 34.565 1.00 34.76 ? 181 ASN L N 1 ATOM 2902 C CA . ASN B 2 157 ? 38.913 -22.641 33.761 1.00 36.88 ? 181 ASN L CA 1 ATOM 2903 C C . ASN B 2 157 ? 39.565 -21.261 33.862 1.00 34.44 ? 181 ASN L C 1 ATOM 2904 O O . ASN B 2 157 ? 39.957 -20.821 34.943 1.00 32.17 ? 181 ASN L O 1 ATOM 2905 C CB . ASN B 2 157 ? 37.457 -22.597 34.227 1.00 46.61 ? 181 ASN L CB 1 ATOM 2906 C CG . ASN B 2 157 ? 36.656 -21.505 33.556 1.00 61.94 ? 181 ASN L CG 1 ATOM 2907 O OD1 . ASN B 2 157 ? 36.037 -20.680 34.226 1.00 67.13 ? 181 ASN L OD1 1 ATOM 2908 N ND2 . ASN B 2 157 ? 36.660 -21.494 32.225 1.00 59.52 ? 181 ASN L ND2 1 ATOM 2909 N N . GLY B 2 158 ? 39.704 -20.586 32.718 1.00 33.82 ? 182 GLY L N 1 ATOM 2910 C CA . GLY B 2 158 ? 40.264 -19.249 32.680 1.00 29.98 ? 182 GLY L CA 1 ATOM 2911 C C . GLY B 2 158 ? 41.769 -19.164 32.533 1.00 27.16 ? 182 GLY L C 1 ATOM 2912 O O . GLY B 2 158 ? 42.326 -18.066 32.669 1.00 30.80 ? 182 GLY L O 1 ATOM 2913 N N . VAL B 2 159 ? 42.449 -20.278 32.268 1.00 30.89 ? 183 VAL L N 1 ATOM 2914 C CA . VAL B 2 159 ? 43.903 -20.301 32.152 1.00 26.54 ? 183 VAL L CA 1 ATOM 2915 C C . VAL B 2 159 ? 44.268 -20.244 30.672 1.00 24.93 ? 183 VAL L C 1 ATOM 2916 O O . VAL B 2 159 ? 43.736 -21.014 29.866 1.00 29.46 ? 183 VAL L O 1 ATOM 2917 C CB . VAL B 2 159 ? 44.494 -21.551 32.823 1.00 29.26 ? 183 VAL L CB 1 ATOM 2918 C CG1 . VAL B 2 159 ? 45.999 -21.604 32.628 1.00 26.33 ? 183 VAL L CG1 1 ATOM 2919 C CG2 . VAL B 2 159 ? 44.147 -21.552 34.324 1.00 27.48 ? 183 VAL L CG2 1 ATOM 2920 N N . LEU B 2 160 ? 45.173 -19.331 30.320 1.00 25.51 ? 184 LEU L N 1 ATOM 2921 C CA . LEU B 2 160 ? 45.664 -19.181 28.946 1.00 30.17 ? 184 LEU L CA 1 ATOM 2922 C C . LEU B 2 160 ? 47.184 -19.251 28.965 1.00 30.57 ? 184 LEU L C 1 ATOM 2923 O O . LEU B 2 160 ? 47.829 -18.467 29.666 1.00 30.25 ? 184 LEU L O 1 ATOM 2924 C CB . LEU B 2 160 ? 45.204 -17.853 28.337 1.00 32.16 ? 184 LEU L CB 1 ATOM 2925 C CG . LEU B 2 160 ? 43.829 -17.770 27.669 1.00 40.43 ? 184 LEU L CG 1 ATOM 2926 C CD1 . LEU B 2 160 ? 43.640 -16.390 27.036 1.00 41.47 ? 184 LEU L CD1 1 ATOM 2927 C CD2 . LEU B 2 160 ? 43.639 -18.877 26.629 1.00 43.84 ? 184 LEU L CD2 1 ATOM 2928 N N . ASN B 2 161 ? 47.754 -20.187 28.212 1.00 28.09 ? 185 ASN L N 1 ATOM 2929 C CA . ASN B 2 161 ? 49.192 -20.412 28.194 1.00 25.90 ? 185 ASN L CA 1 ATOM 2930 C C . ASN B 2 161 ? 49.780 -20.046 26.837 1.00 29.99 ? 185 ASN L C 1 ATOM 2931 O O . ASN B 2 161 ? 49.140 -20.229 25.797 1.00 30.85 ? 185 ASN L O 1 ATOM 2932 C CB . ASN B 2 161 ? 49.524 -21.873 28.492 1.00 24.46 ? 185 ASN L CB 1 ATOM 2933 C CG . ASN B 2 161 ? 49.096 -22.292 29.885 1.00 27.57 ? 185 ASN L CG 1 ATOM 2934 O OD1 . ASN B 2 161 ? 49.106 -21.484 30.800 1.00 29.52 ? 185 ASN L OD1 1 ATOM 2935 N ND2 . ASN B 2 161 ? 48.702 -23.558 30.037 1.00 33.68 ? 185 ASN L ND2 1 ATOM 2936 N N . SER B 2 162 ? 51.014 -19.538 26.857 1.00 27.02 ? 186 SER L N 1 ATOM 2937 C CA . SER B 2 162 ? 51.740 -19.247 25.623 1.00 26.03 ? 186 SER L CA 1 ATOM 2938 C C . SER B 2 162 ? 53.193 -19.668 25.786 1.00 33.07 ? 186 SER L C 1 ATOM 2939 O O . SER B 2 162 ? 53.768 -19.541 26.873 1.00 30.91 ? 186 SER L O 1 ATOM 2940 C CB . SER B 2 162 ? 51.640 -17.761 25.266 1.00 29.28 ? 186 SER L CB 1 ATOM 2941 O OG . SER B 2 162 ? 52.277 -17.474 24.028 1.00 34.11 ? 186 SER L OG 1 ATOM 2942 N N . TRP B 2 163 ? 53.785 -20.169 24.700 1.00 30.05 ? 187 TRP L N 1 ATOM 2943 C CA . TRP B 2 163 ? 55.147 -20.684 24.722 1.00 32.73 ? 187 TRP L CA 1 ATOM 2944 C C . TRP B 2 163 ? 55.984 -19.992 23.660 1.00 33.53 ? 187 TRP L C 1 ATOM 2945 O O . TRP B 2 163 ? 55.540 -19.823 22.521 1.00 33.47 ? 187 TRP L O 1 ATOM 2946 C CB . TRP B 2 163 ? 55.184 -22.197 24.472 1.00 32.63 ? 187 TRP L CB 1 ATOM 2947 C CG . TRP B 2 163 ? 54.417 -23.018 25.453 1.00 41.77 ? 187 TRP L CG 1 ATOM 2948 C CD1 . TRP B 2 163 ? 54.919 -23.669 26.543 1.00 39.02 ? 187 TRP L CD1 1 ATOM 2949 C CD2 . TRP B 2 163 ? 53.011 -23.293 25.431 1.00 38.58 ? 187 TRP L CD2 1 ATOM 2950 N NE1 . TRP B 2 163 ? 53.912 -24.333 27.201 1.00 42.40 ? 187 TRP L NE1 1 ATOM 2951 C CE2 . TRP B 2 163 ? 52.730 -24.114 26.541 1.00 36.58 ? 187 TRP L CE2 1 ATOM 2952 C CE3 . TRP B 2 163 ? 51.962 -22.922 24.581 1.00 44.44 ? 187 TRP L CE3 1 ATOM 2953 C CZ2 . TRP B 2 163 ? 51.443 -24.577 26.823 1.00 39.35 ? 187 TRP L CZ2 1 ATOM 2954 C CZ3 . TRP B 2 163 ? 50.684 -23.379 24.861 1.00 45.88 ? 187 TRP L CZ3 1 ATOM 2955 C CH2 . TRP B 2 163 ? 50.436 -24.200 25.973 1.00 43.67 ? 187 TRP L CH2 1 ATOM 2956 N N . THR B 2 164 ? 57.197 -19.595 24.032 1.00 31.92 ? 188 THR L N 1 ATOM 2957 C CA . THR B 2 164 ? 58.132 -19.094 23.045 1.00 34.67 ? 188 THR L CA 1 ATOM 2958 C C . THR B 2 164 ? 58.686 -20.243 22.214 1.00 35.50 ? 188 THR L C 1 ATOM 2959 O O . THR B 2 164 ? 58.684 -21.406 22.629 1.00 34.45 ? 188 THR L O 1 ATOM 2960 C CB . THR B 2 164 ? 59.296 -18.347 23.697 1.00 38.37 ? 188 THR L CB 1 ATOM 2961 O OG1 . THR B 2 164 ? 59.950 -19.209 24.636 1.00 35.94 ? 188 THR L OG1 1 ATOM 2962 C CG2 . THR B 2 164 ? 58.813 -17.086 24.386 1.00 37.97 ? 188 THR L CG2 1 ATOM 2963 N N . ASP B 2 165 ? 59.146 -19.899 21.014 1.00 38.08 ? 189 ASP L N 1 ATOM 2964 C CA . ASP B 2 165 ? 59.984 -20.821 20.272 1.00 39.58 ? 189 ASP L CA 1 ATOM 2965 C C . ASP B 2 165 ? 61.314 -20.987 20.988 1.00 39.72 ? 189 ASP L C 1 ATOM 2966 O O . ASP B 2 165 ? 61.740 -20.135 21.774 1.00 40.90 ? 189 ASP L O 1 ATOM 2967 C CB . ASP B 2 165 ? 60.216 -20.321 18.847 1.00 48.26 ? 189 ASP L CB 1 ATOM 2968 C CG . ASP B 2 165 ? 58.979 -20.421 18.000 1.00 54.32 ? 189 ASP L CG 1 ATOM 2969 O OD1 . ASP B 2 165 ? 58.272 -21.447 18.123 1.00 61.11 ? 189 ASP L OD1 1 ATOM 2970 O OD2 . ASP B 2 165 ? 58.709 -19.474 17.235 1.00 70.31 ? 189 ASP L OD2 1 ATOM 2971 N N . GLN B 2 166 ? 61.978 -22.101 20.706 1.00 34.75 ? 190 GLN L N 1 ATOM 2972 C CA . GLN B 2 166 ? 63.288 -22.323 21.292 1.00 38.50 ? 190 GLN L CA 1 ATOM 2973 C C . GLN B 2 166 ? 64.195 -21.147 20.964 1.00 40.63 ? 190 GLN L C 1 ATOM 2974 O O . GLN B 2 166 ? 64.207 -20.649 19.830 1.00 44.50 ? 190 GLN L O 1 ATOM 2975 C CB . GLN B 2 166 ? 63.881 -23.634 20.783 1.00 36.63 ? 190 GLN L CB 1 ATOM 2976 C CG . GLN B 2 166 ? 65.190 -24.007 21.446 1.00 38.21 ? 190 GLN L CG 1 ATOM 2977 C CD . GLN B 2 166 ? 65.693 -25.373 21.031 1.00 42.59 ? 190 GLN L CD 1 ATOM 2978 O OE1 . GLN B 2 166 ? 65.560 -25.783 19.869 1.00 45.28 ? 190 GLN L OE1 1 ATOM 2979 N NE2 . GLN B 2 166 ? 66.275 -26.089 21.976 1.00 38.83 ? 190 GLN L NE2 1 ATOM 2980 N N . ASP B 2 167 ? 64.929 -20.679 21.965 1.00 38.03 ? 191 ASP L N 1 ATOM 2981 C CA . ASP B 2 167 ? 65.776 -19.507 21.784 1.00 45.52 ? 191 ASP L CA 1 ATOM 2982 C C . ASP B 2 167 ? 67.030 -19.894 21.008 1.00 48.60 ? 191 ASP L C 1 ATOM 2983 O O . ASP B 2 167 ? 67.681 -20.890 21.327 1.00 49.79 ? 191 ASP L O 1 ATOM 2984 C CB . ASP B 2 167 ? 66.136 -18.926 23.150 1.00 43.59 ? 191 ASP L CB 1 ATOM 2985 C CG . ASP B 2 167 ? 66.782 -17.561 23.057 1.00 57.77 ? 191 ASP L CG 1 ATOM 2986 O OD1 . ASP B 2 167 ? 67.955 -17.492 22.643 1.00 62.73 ? 191 ASP L OD1 1 ATOM 2987 O OD2 . ASP B 2 167 ? 66.124 -16.561 23.421 1.00 67.52 ? 191 ASP L OD2 1 ATOM 2988 N N . SER B 2 168 ? 67.372 -19.122 19.973 1.00 57.12 ? 192 SER L N 1 ATOM 2989 C CA . SER B 2 168 ? 68.557 -19.483 19.203 1.00 66.90 ? 192 SER L CA 1 ATOM 2990 C C . SER B 2 168 ? 69.848 -19.227 19.971 1.00 70.74 ? 192 SER L C 1 ATOM 2991 O O . SER B 2 168 ? 70.877 -19.823 19.637 1.00 78.39 ? 192 SER L O 1 ATOM 2992 C CB . SER B 2 168 ? 68.580 -18.740 17.862 1.00 64.60 ? 192 SER L CB 1 ATOM 2993 O OG . SER B 2 168 ? 68.313 -17.359 18.027 1.00 65.07 ? 192 SER L OG 1 ATOM 2994 N N . LYS B 2 169 ? 69.817 -18.375 20.999 1.00 56.95 ? 193 LYS L N 1 ATOM 2995 C CA . LYS B 2 169 ? 71.029 -18.020 21.730 1.00 64.57 ? 193 LYS L CA 1 ATOM 2996 C C . LYS B 2 169 ? 71.346 -18.972 22.884 1.00 64.66 ? 193 LYS L C 1 ATOM 2997 O O . LYS B 2 169 ? 72.508 -19.354 23.054 1.00 72.41 ? 193 LYS L O 1 ATOM 2998 C CB . LYS B 2 169 ? 70.927 -16.582 22.245 1.00 70.94 ? 193 LYS L CB 1 ATOM 2999 C CG . LYS B 2 169 ? 70.899 -15.545 21.126 1.00 79.79 ? 193 LYS L CG 1 ATOM 3000 C CD . LYS B 2 169 ? 70.876 -14.123 21.671 1.00 86.69 ? 193 LYS L CD 1 ATOM 3001 C CE . LYS B 2 169 ? 70.795 -13.097 20.548 1.00 89.18 ? 193 LYS L CE 1 ATOM 3002 N NZ . LYS B 2 169 ? 70.713 -11.699 21.064 1.00 91.29 ? 193 LYS L NZ 1 ATOM 3003 N N . ASP B 2 170 ? 70.361 -19.370 23.693 1.00 54.44 ? 194 ASP L N 1 ATOM 3004 C CA . ASP B 2 170 ? 70.629 -20.303 24.784 1.00 46.24 ? 194 ASP L CA 1 ATOM 3005 C C . ASP B 2 170 ? 69.889 -21.627 24.652 1.00 49.12 ? 194 ASP L C 1 ATOM 3006 O O . ASP B 2 170 ? 69.990 -22.470 25.555 1.00 44.66 ? 194 ASP L O 1 ATOM 3007 C CB . ASP B 2 170 ? 70.310 -19.664 26.148 1.00 49.17 ? 194 ASP L CB 1 ATOM 3008 C CG . ASP B 2 170 ? 68.835 -19.320 26.326 1.00 52.38 ? 194 ASP L CG 1 ATOM 3009 O OD1 . ASP B 2 170 ? 67.969 -19.881 25.622 1.00 49.36 ? 194 ASP L OD1 1 ATOM 3010 O OD2 . ASP B 2 170 ? 68.537 -18.479 27.201 1.00 55.95 ? 194 ASP L OD2 1 ATOM 3011 N N . SER B 2 171 ? 69.131 -21.824 23.574 1.00 41.27 ? 195 SER L N 1 ATOM 3012 C CA . SER B 2 171 ? 68.445 -23.081 23.279 1.00 39.99 ? 195 SER L CA 1 ATOM 3013 C C . SER B 2 171 ? 67.420 -23.466 24.342 1.00 35.98 ? 195 SER L C 1 ATOM 3014 O O . SER B 2 171 ? 67.048 -24.638 24.433 1.00 34.95 ? 195 SER L O 1 ATOM 3015 C CB . SER B 2 171 ? 69.443 -24.232 23.085 1.00 40.65 ? 195 SER L CB 1 ATOM 3016 O OG . SER B 2 171 ? 70.348 -23.958 22.032 1.00 43.78 ? 195 SER L OG 1 ATOM 3017 N N . THR B 2 172 ? 66.939 -22.515 25.141 1.00 35.82 ? 196 THR L N 1 ATOM 3018 C CA . THR B 2 172 ? 65.913 -22.803 26.136 1.00 34.54 ? 196 THR L CA 1 ATOM 3019 C C . THR B 2 172 ? 64.526 -22.430 25.622 1.00 37.42 ? 196 THR L C 1 ATOM 3020 O O . THR B 2 172 ? 64.356 -21.801 24.574 1.00 36.91 ? 196 THR L O 1 ATOM 3021 C CB . THR B 2 172 ? 66.171 -22.058 27.455 1.00 38.11 ? 196 THR L CB 1 ATOM 3022 O OG1 . THR B 2 172 ? 66.080 -20.640 27.246 1.00 35.88 ? 196 THR L OG1 1 ATOM 3023 C CG2 . THR B 2 172 ? 67.537 -22.415 28.033 1.00 37.13 ? 196 THR L CG2 1 ATOM 3024 N N . TYR B 2 173 ? 63.526 -22.826 26.397 1.00 32.16 ? 197 TYR L N 1 ATOM 3025 C CA . TYR B 2 173 ? 62.138 -22.458 26.196 1.00 30.14 ? 197 TYR L CA 1 ATOM 3026 C C . TYR B 2 173 ? 61.659 -21.597 27.358 1.00 30.67 ? 197 TYR L C 1 ATOM 3027 O O . TYR B 2 173 ? 62.225 -21.619 28.458 1.00 34.15 ? 197 TYR L O 1 ATOM 3028 C CB . TYR B 2 173 ? 61.256 -23.703 26.096 1.00 32.73 ? 197 TYR L CB 1 ATOM 3029 C CG . TYR B 2 173 ? 61.646 -24.637 24.984 1.00 37.17 ? 197 TYR L CG 1 ATOM 3030 C CD1 . TYR B 2 173 ? 61.099 -24.489 23.715 1.00 34.50 ? 197 TYR L CD1 1 ATOM 3031 C CD2 . TYR B 2 173 ? 62.564 -25.665 25.194 1.00 33.56 ? 197 TYR L CD2 1 ATOM 3032 C CE1 . TYR B 2 173 ? 61.455 -25.332 22.684 1.00 39.80 ? 197 TYR L CE1 1 ATOM 3033 C CE2 . TYR B 2 173 ? 62.927 -26.517 24.152 1.00 37.37 ? 197 TYR L CE2 1 ATOM 3034 C CZ . TYR B 2 173 ? 62.365 -26.343 22.911 1.00 42.45 ? 197 TYR L CZ 1 ATOM 3035 O OH . TYR B 2 173 ? 62.716 -27.187 21.879 1.00 43.04 ? 197 TYR L OH 1 ATOM 3036 N N . SER B 2 174 ? 60.609 -20.820 27.099 1.00 31.34 ? 198 SER L N 1 ATOM 3037 C CA . SER B 2 174 ? 59.938 -20.078 28.160 1.00 28.99 ? 198 SER L CA 1 ATOM 3038 C C . SER B 2 174 ? 58.436 -20.186 27.949 1.00 33.57 ? 198 SER L C 1 ATOM 3039 O O . SER B 2 174 ? 57.958 -20.525 26.861 1.00 32.93 ? 198 SER L O 1 ATOM 3040 C CB . SER B 2 174 ? 60.378 -18.613 28.205 1.00 31.91 ? 198 SER L CB 1 ATOM 3041 O OG . SER B 2 174 ? 61.751 -18.506 28.530 1.00 34.34 ? 198 SER L OG 1 ATOM 3042 N N . MET B 2 175 ? 57.690 -19.912 29.015 1.00 27.45 ? 199 MET L N 1 ATOM 3043 C CA . MET B 2 175 ? 56.252 -20.098 29.000 1.00 26.65 ? 199 MET L CA 1 ATOM 3044 C C . MET B 2 175 ? 55.598 -19.033 29.865 1.00 34.35 ? 199 MET L C 1 ATOM 3045 O O . MET B 2 175 ? 56.171 -18.586 30.862 1.00 34.20 ? 199 MET L O 1 ATOM 3046 C CB . MET B 2 175 ? 55.888 -21.499 29.495 1.00 35.33 ? 199 MET L CB 1 ATOM 3047 C CG . MET B 2 175 ? 54.447 -21.678 29.892 1.00 43.71 ? 199 MET L CG 1 ATOM 3048 S SD . MET B 2 175 ? 54.171 -23.333 30.515 1.00 35.84 ? 199 MET L SD 1 ATOM 3049 C CE . MET B 2 175 ? 52.390 -23.367 30.572 1.00 35.42 ? 199 MET L CE 1 ATOM 3050 N N . SER B 2 176 ? 54.391 -18.633 29.475 1.00 28.75 ? 200 SER L N 1 ATOM 3051 C CA . SER B 2 176 ? 53.596 -17.675 30.235 1.00 26.92 ? 200 SER L CA 1 ATOM 3052 C C . SER B 2 176 ? 52.222 -18.271 30.504 1.00 28.20 ? 200 SER L C 1 ATOM 3053 O O . SER B 2 176 ? 51.608 -18.851 29.601 1.00 28.14 ? 200 SER L O 1 ATOM 3054 C CB . SER B 2 176 ? 53.482 -16.349 29.463 1.00 30.42 ? 200 SER L CB 1 ATOM 3055 O OG . SER B 2 176 ? 52.608 -15.442 30.116 1.00 34.64 ? 200 SER L OG 1 ATOM 3056 N N . SER B 2 177 ? 51.740 -18.153 31.754 1.00 24.65 ? 201 SER L N 1 ATOM 3057 C CA . SER B 2 177 ? 50.426 -18.680 32.100 1.00 27.98 ? 201 SER L CA 1 ATOM 3058 C C . SER B 2 177 ? 49.614 -17.592 32.785 1.00 30.90 ? 201 SER L C 1 ATOM 3059 O O . SER B 2 177 ? 50.075 -16.987 33.762 1.00 28.74 ? 201 SER L O 1 ATOM 3060 C CB . SER B 2 177 ? 50.534 -19.911 33.005 1.00 27.56 ? 201 SER L CB 1 ATOM 3061 O OG . SER B 2 177 ? 49.258 -20.477 33.219 1.00 28.10 ? 201 SER L OG 1 ATOM 3062 N N . THR B 2 178 ? 48.407 -17.345 32.276 1.00 31.46 ? 202 THR L N 1 ATOM 3063 C CA . THR B 2 178 ? 47.567 -16.254 32.763 1.00 31.16 ? 202 THR L CA 1 ATOM 3064 C C . THR B 2 178 ? 46.219 -16.805 33.200 1.00 30.82 ? 202 THR L C 1 ATOM 3065 O O . THR B 2 178 ? 45.479 -17.371 32.388 1.00 29.29 ? 202 THR L O 1 ATOM 3066 C CB . THR B 2 178 ? 47.374 -15.178 31.691 1.00 33.69 ? 202 THR L CB 1 ATOM 3067 O OG1 . THR B 2 178 ? 48.647 -14.636 31.317 1.00 33.68 ? 202 THR L OG1 1 ATOM 3068 C CG2 . THR B 2 178 ? 46.487 -14.060 32.228 1.00 31.35 ? 202 THR L CG2 1 ATOM 3069 N N . LEU B 2 179 ? 45.894 -16.637 34.484 1.00 25.77 ? 203 LEU L N 1 ATOM 3070 C CA . LEU B 2 179 ? 44.602 -17.038 35.020 1.00 28.66 ? 203 LEU L CA 1 ATOM 3071 C C . LEU B 2 179 ? 43.735 -15.794 35.160 1.00 29.96 ? 203 LEU L C 1 ATOM 3072 O O . LEU B 2 179 ? 44.070 -14.895 35.935 1.00 32.05 ? 203 LEU L O 1 ATOM 3073 C CB . LEU B 2 179 ? 44.782 -17.719 36.378 1.00 29.49 ? 203 LEU L CB 1 ATOM 3074 C CG . LEU B 2 179 ? 43.520 -17.887 37.216 1.00 29.08 ? 203 LEU L CG 1 ATOM 3075 C CD1 . LEU B 2 179 ? 42.527 -18.806 36.523 1.00 32.01 ? 203 LEU L CD1 1 ATOM 3076 C CD2 . LEU B 2 179 ? 43.895 -18.405 38.607 1.00 32.87 ? 203 LEU L CD2 1 ATOM 3077 N N . THR B 2 180 ? 42.620 -15.738 34.433 1.00 31.04 ? 204 THR L N 1 ATOM 3078 C CA . THR B 2 180 ? 41.777 -14.545 34.435 1.00 34.66 ? 204 THR L CA 1 ATOM 3079 C C . THR B 2 180 ? 40.454 -14.844 35.126 1.00 34.98 ? 204 THR L C 1 ATOM 3080 O O . THR B 2 180 ? 39.724 -15.750 34.710 1.00 32.20 ? 204 THR L O 1 ATOM 3081 C CB . THR B 2 180 ? 41.535 -14.023 33.018 1.00 35.28 ? 204 THR L CB 1 ATOM 3082 O OG1 . THR B 2 180 ? 42.774 -13.544 32.472 1.00 31.43 ? 204 THR L OG1 1 ATOM 3083 C CG2 . THR B 2 180 ? 40.540 -12.866 33.067 1.00 36.20 ? 204 THR L CG2 1 ATOM 3084 N N . LEU B 2 181 ? 40.158 -14.083 36.182 1.00 32.39 ? 205 LEU L N 1 ATOM 3085 C CA . LEU B 2 181 ? 38.899 -14.123 36.911 1.00 36.86 ? 205 LEU L CA 1 ATOM 3086 C C . LEU B 2 181 ? 38.222 -12.762 36.828 1.00 33.78 ? 205 LEU L C 1 ATOM 3087 O O . LEU B 2 181 ? 38.800 -11.779 36.357 1.00 34.74 ? 205 LEU L O 1 ATOM 3088 C CB . LEU B 2 181 ? 39.121 -14.468 38.394 1.00 37.68 ? 205 LEU L CB 1 ATOM 3089 C CG . LEU B 2 181 ? 40.217 -15.471 38.739 1.00 46.65 ? 205 LEU L CG 1 ATOM 3090 C CD1 . LEU B 2 181 ? 40.555 -15.384 40.211 1.00 48.79 ? 205 LEU L CD1 1 ATOM 3091 C CD2 . LEU B 2 181 ? 39.755 -16.874 38.385 1.00 45.19 ? 205 LEU L CD2 1 ATOM 3092 N N . THR B 2 182 ? 36.992 -12.701 37.322 1.00 35.89 ? 206 THR L N 1 ATOM 3093 C CA . THR B 2 182 ? 36.413 -11.402 37.619 1.00 34.37 ? 206 THR L CA 1 ATOM 3094 C C . THR B 2 182 ? 37.005 -10.857 38.917 1.00 35.91 ? 206 THR L C 1 ATOM 3095 O O . THR B 2 182 ? 37.496 -11.604 39.769 1.00 33.15 ? 206 THR L O 1 ATOM 3096 C CB . THR B 2 182 ? 34.893 -11.498 37.735 1.00 37.68 ? 206 THR L CB 1 ATOM 3097 O OG1 . THR B 2 182 ? 34.546 -12.305 38.870 1.00 38.33 ? 206 THR L OG1 1 ATOM 3098 C CG2 . THR B 2 182 ? 34.307 -12.119 36.460 1.00 39.51 ? 206 THR L CG2 1 ATOM 3099 N N . LYS B 2 183 ? 36.966 -9.531 39.060 1.00 38.86 ? 207 LYS L N 1 ATOM 3100 C CA . LYS B 2 183 ? 37.422 -8.935 40.313 1.00 36.08 ? 207 LYS L CA 1 ATOM 3101 C C . LYS B 2 183 ? 36.662 -9.519 41.495 1.00 38.04 ? 207 LYS L C 1 ATOM 3102 O O . LYS B 2 183 ? 37.248 -9.790 42.552 1.00 37.50 ? 207 LYS L O 1 ATOM 3103 C CB . LYS B 2 183 ? 37.264 -7.413 40.271 1.00 35.09 ? 207 LYS L CB 1 ATOM 3104 C CG . LYS B 2 183 ? 37.516 -6.710 41.615 1.00 36.59 ? 207 LYS L CG 1 ATOM 3105 C CD . LYS B 2 183 ? 37.180 -5.227 41.512 1.00 47.34 ? 207 LYS L CD 1 ATOM 3106 C CE . LYS B 2 183 ? 37.751 -4.424 42.665 1.00 65.44 ? 207 LYS L CE 1 ATOM 3107 N NZ . LYS B 2 183 ? 37.665 -2.959 42.399 1.00 77.59 ? 207 LYS L NZ 1 ATOM 3108 N N . ASP B 2 184 ? 35.362 -9.762 41.323 1.00 38.40 ? 208 ASP L N 1 ATOM 3109 C CA . ASP B 2 184 ? 34.563 -10.275 42.430 1.00 44.58 ? 208 ASP L CA 1 ATOM 3110 C C . ASP B 2 184 ? 35.016 -11.670 42.845 1.00 40.01 ? 208 ASP L C 1 ATOM 3111 O O . ASP B 2 184 ? 35.166 -11.948 44.040 1.00 36.48 ? 208 ASP L O 1 ATOM 3112 C CB . ASP B 2 184 ? 33.081 -10.260 42.061 1.00 52.14 ? 208 ASP L CB 1 ATOM 3113 C CG . ASP B 2 184 ? 32.454 -8.890 42.253 1.00 66.18 ? 208 ASP L CG 1 ATOM 3114 O OD1 . ASP B 2 184 ? 33.063 -8.055 42.958 1.00 70.15 ? 208 ASP L OD1 1 ATOM 3115 O OD2 . ASP B 2 184 ? 31.357 -8.648 41.706 1.00 74.17 ? 208 ASP L OD2 1 ATOM 3116 N N . GLU B 2 185 ? 35.247 -12.566 41.876 1.00 34.75 ? 209 GLU L N 1 ATOM 3117 C CA . GLU B 2 185 ? 35.724 -13.896 42.245 1.00 37.66 ? 209 GLU L CA 1 ATOM 3118 C C . GLU B 2 185 ? 37.127 -13.833 42.835 1.00 36.73 ? 209 GLU L C 1 ATOM 3119 O O . GLU B 2 185 ? 37.441 -14.556 43.789 1.00 37.24 ? 209 GLU L O 1 ATOM 3120 C CB . GLU B 2 185 ? 35.700 -14.845 41.044 1.00 39.87 ? 209 GLU L CB 1 ATOM 3121 C CG . GLU B 2 185 ? 36.207 -16.242 41.412 1.00 54.35 ? 209 GLU L CG 1 ATOM 3122 C CD . GLU B 2 185 ? 35.863 -17.310 40.391 1.00 74.21 ? 209 GLU L CD 1 ATOM 3123 O OE1 . GLU B 2 185 ? 35.923 -17.023 39.176 1.00 78.37 ? 209 GLU L OE1 1 ATOM 3124 O OE2 . GLU B 2 185 ? 35.535 -18.441 40.811 1.00 82.96 ? 209 GLU L OE2 1 ATOM 3125 N N . TYR B 2 186 ? 37.982 -12.973 42.277 1.00 34.15 ? 210 TYR L N 1 ATOM 3126 C CA . TYR B 2 186 ? 39.344 -12.840 42.780 1.00 30.83 ? 210 TYR L CA 1 ATOM 3127 C C . TYR B 2 186 ? 39.356 -12.446 44.254 1.00 34.64 ? 210 TYR L C 1 ATOM 3128 O O . TYR B 2 186 ? 40.133 -12.992 45.043 1.00 34.76 ? 210 TYR L O 1 ATOM 3129 C CB . TYR B 2 186 ? 40.106 -11.821 41.929 1.00 34.33 ? 210 TYR L CB 1 ATOM 3130 C CG . TYR B 2 186 ? 41.461 -11.456 42.464 1.00 30.38 ? 210 TYR L CG 1 ATOM 3131 C CD1 . TYR B 2 186 ? 42.498 -12.379 42.473 1.00 31.52 ? 210 TYR L CD1 1 ATOM 3132 C CD2 . TYR B 2 186 ? 41.709 -10.181 42.961 1.00 31.17 ? 210 TYR L CD2 1 ATOM 3133 C CE1 . TYR B 2 186 ? 43.745 -12.035 42.985 1.00 29.41 ? 210 TYR L CE1 1 ATOM 3134 C CE2 . TYR B 2 186 ? 42.953 -9.832 43.457 1.00 34.46 ? 210 TYR L CE2 1 ATOM 3135 C CZ . TYR B 2 186 ? 43.967 -10.764 43.457 1.00 30.57 ? 210 TYR L CZ 1 ATOM 3136 O OH . TYR B 2 186 ? 45.201 -10.409 43.963 1.00 34.92 ? 210 TYR L OH 1 ATOM 3137 N N . GLU B 2 187 ? 38.480 -11.526 44.647 1.00 33.22 ? 211 GLU L N 1 ATOM 3138 C CA . GLU B 2 187 ? 38.445 -11.035 46.020 1.00 36.89 ? 211 GLU L CA 1 ATOM 3139 C C . GLU B 2 187 ? 37.773 -12.003 46.985 1.00 38.82 ? 211 GLU L C 1 ATOM 3140 O O . GLU B 2 187 ? 37.825 -11.777 48.198 1.00 39.80 ? 211 GLU L O 1 ATOM 3141 C CB . GLU B 2 187 ? 37.743 -9.680 46.056 1.00 39.37 ? 211 GLU L CB 1 ATOM 3142 C CG . GLU B 2 187 ? 38.559 -8.560 45.459 1.00 41.96 ? 211 GLU L CG 1 ATOM 3143 C CD . GLU B 2 187 ? 37.839 -7.228 45.523 1.00 54.00 ? 211 GLU L CD 1 ATOM 3144 O OE1 . GLU B 2 187 ? 36.647 -7.212 45.894 1.00 63.33 ? 211 GLU L OE1 1 ATOM 3145 O OE2 . GLU B 2 187 ? 38.462 -6.200 45.198 1.00 61.10 ? 211 GLU L OE2 1 ATOM 3146 N N . ARG B 2 188 ? 37.155 -13.070 46.480 1.00 38.89 ? 212 ARG L N 1 ATOM 3147 C CA . ARG B 2 188 ? 36.530 -14.100 47.298 1.00 45.45 ? 212 ARG L CA 1 ATOM 3148 C C . ARG B 2 188 ? 37.537 -15.087 47.876 1.00 40.83 ? 212 ARG L C 1 ATOM 3149 O O . ARG B 2 188 ? 37.160 -15.915 48.710 1.00 40.60 ? 212 ARG L O 1 ATOM 3150 C CB . ARG B 2 188 ? 35.480 -14.855 46.466 1.00 45.21 ? 212 ARG L CB 1 ATOM 3151 C CG . ARG B 2 188 ? 34.054 -14.715 46.965 1.00 62.61 ? 212 ARG L CG 1 ATOM 3152 C CD . ARG B 2 188 ? 33.116 -14.187 45.890 1.00 65.42 ? 212 ARG L CD 1 ATOM 3153 N NE . ARG B 2 188 ? 33.015 -15.089 44.746 1.00 70.24 ? 212 ARG L NE 1 ATOM 3154 C CZ . ARG B 2 188 ? 32.475 -14.753 43.577 1.00 73.45 ? 212 ARG L CZ 1 ATOM 3155 N NH1 . ARG B 2 188 ? 31.986 -13.532 43.397 1.00 78.43 ? 212 ARG L NH1 1 ATOM 3156 N NH2 . ARG B 2 188 ? 32.427 -15.633 42.584 1.00 67.19 ? 212 ARG L NH2 1 ATOM 3157 N N . HIS B 2 189 ? 38.799 -15.022 47.459 1.00 37.73 ? 213 HIS L N 1 ATOM 3158 C CA . HIS B 2 189 ? 39.825 -15.954 47.902 1.00 35.20 ? 213 HIS L CA 1 ATOM 3159 C C . HIS B 2 189 ? 41.108 -15.184 48.165 1.00 40.35 ? 213 HIS L C 1 ATOM 3160 O O . HIS B 2 189 ? 41.308 -14.087 47.638 1.00 45.06 ? 213 HIS L O 1 ATOM 3161 C CB . HIS B 2 189 ? 40.072 -17.047 46.860 1.00 40.21 ? 213 HIS L CB 1 ATOM 3162 C CG . HIS B 2 189 ? 38.838 -17.804 46.487 1.00 51.19 ? 213 HIS L CG 1 ATOM 3163 N ND1 . HIS B 2 189 ? 38.319 -18.810 47.272 1.00 56.78 ? 213 HIS L ND1 1 ATOM 3164 C CD2 . HIS B 2 189 ? 38.011 -17.692 45.421 1.00 55.32 ? 213 HIS L CD2 1 ATOM 3165 C CE1 . HIS B 2 189 ? 37.229 -19.291 46.703 1.00 59.04 ? 213 HIS L CE1 1 ATOM 3166 N NE2 . HIS B 2 189 ? 37.019 -18.629 45.579 1.00 56.54 ? 213 HIS L NE2 1 ATOM 3167 N N . ASN B 2 190 ? 41.987 -15.770 48.980 1.00 39.79 ? 214 ASN L N 1 ATOM 3168 C CA . ASN B 2 190 ? 43.180 -15.058 49.424 1.00 35.88 ? 214 ASN L CA 1 ATOM 3169 C C . ASN B 2 190 ? 44.493 -15.612 48.886 1.00 34.31 ? 214 ASN L C 1 ATOM 3170 O O . ASN B 2 190 ? 45.409 -14.827 48.630 1.00 42.83 ? 214 ASN L O 1 ATOM 3171 C CB . ASN B 2 190 ? 43.238 -15.029 50.958 1.00 47.95 ? 214 ASN L CB 1 ATOM 3172 C CG . ASN B 2 190 ? 42.129 -14.189 51.560 1.00 54.54 ? 214 ASN L CG 1 ATOM 3173 O OD1 . ASN B 2 190 ? 41.553 -13.330 50.889 1.00 52.50 ? 214 ASN L OD1 1 ATOM 3174 N ND2 . ASN B 2 190 ? 41.824 -14.431 52.831 1.00 58.65 ? 214 ASN L ND2 1 ATOM 3175 N N . SER B 2 191 ? 44.611 -16.921 48.683 1.00 34.05 ? 215 SER L N 1 ATOM 3176 C CA . SER B 2 191 ? 45.869 -17.553 48.294 1.00 33.46 ? 215 SER L CA 1 ATOM 3177 C C . SER B 2 191 ? 45.840 -17.972 46.828 1.00 31.57 ? 215 SER L C 1 ATOM 3178 O O . SER B 2 191 ? 44.958 -18.731 46.425 1.00 32.30 ? 215 SER L O 1 ATOM 3179 C CB . SER B 2 191 ? 46.139 -18.781 49.159 1.00 36.62 ? 215 SER L CB 1 ATOM 3180 O OG . SER B 2 191 ? 47.366 -19.388 48.804 1.00 43.19 ? 215 SER L OG 1 ATOM 3181 N N . TYR B 2 192 ? 46.827 -17.516 46.052 1.00 30.56 ? 216 TYR L N 1 ATOM 3182 C CA . TYR B 2 192 ? 46.972 -17.875 44.643 1.00 30.62 ? 216 TYR L CA 1 ATOM 3183 C C . TYR B 2 192 ? 48.344 -18.486 44.426 1.00 29.29 ? 216 TYR L C 1 ATOM 3184 O O . TYR B 2 192 ? 49.353 -17.913 44.842 1.00 33.67 ? 216 TYR L O 1 ATOM 3185 C CB . TYR B 2 192 ? 46.769 -16.651 43.735 1.00 29.17 ? 216 TYR L CB 1 ATOM 3186 C CG . TYR B 2 192 ? 45.338 -16.189 43.802 1.00 34.58 ? 216 TYR L CG 1 ATOM 3187 C CD1 . TYR B 2 192 ? 44.901 -15.371 44.841 1.00 32.78 ? 216 TYR L CD1 1 ATOM 3188 C CD2 . TYR B 2 192 ? 44.403 -16.637 42.879 1.00 27.80 ? 216 TYR L CD2 1 ATOM 3189 C CE1 . TYR B 2 192 ? 43.577 -14.986 44.931 1.00 35.19 ? 216 TYR L CE1 1 ATOM 3190 C CE2 . TYR B 2 192 ? 43.085 -16.258 42.958 1.00 34.62 ? 216 TYR L CE2 1 ATOM 3191 C CZ . TYR B 2 192 ? 42.674 -15.430 43.982 1.00 33.16 ? 216 TYR L CZ 1 ATOM 3192 O OH . TYR B 2 192 ? 41.355 -15.059 44.058 1.00 34.70 ? 216 TYR L OH 1 ATOM 3193 N N . THR B 2 193 ? 48.378 -19.633 43.754 1.00 32.65 ? 217 THR L N 1 ATOM 3194 C CA . THR B 2 193 ? 49.598 -20.406 43.583 1.00 28.59 ? 217 THR L CA 1 ATOM 3195 C C . THR B 2 193 ? 49.727 -20.898 42.148 1.00 27.41 ? 217 THR L C 1 ATOM 3196 O O . THR B 2 193 ? 48.748 -21.365 41.563 1.00 31.43 ? 217 THR L O 1 ATOM 3197 C CB . THR B 2 193 ? 49.591 -21.619 44.509 1.00 32.25 ? 217 THR L CB 1 ATOM 3198 O OG1 . THR B 2 193 ? 49.594 -21.171 45.865 1.00 33.01 ? 217 THR L OG1 1 ATOM 3199 C CG2 . THR B 2 193 ? 50.796 -22.504 44.268 1.00 33.71 ? 217 THR L CG2 1 ATOM 3200 N N . CYS B 2 194 ? 50.936 -20.813 41.600 1.00 27.12 ? 218 CYS L N 1 ATOM 3201 C CA A CYS B 2 194 ? 51.324 -21.440 40.335 0.50 29.35 ? 218 CYS L CA 1 ATOM 3202 C CA B CYS B 2 194 ? 51.247 -21.526 40.372 0.50 28.87 ? 218 CYS L CA 1 ATOM 3203 C C . CYS B 2 194 ? 52.374 -22.501 40.666 1.00 33.46 ? 218 CYS L C 1 ATOM 3204 O O . CYS B 2 194 ? 53.373 -22.164 41.316 1.00 33.41 ? 218 CYS L O 1 ATOM 3205 C CB A CYS B 2 194 ? 51.874 -20.361 39.390 0.50 31.28 ? 218 CYS L CB 1 ATOM 3206 C CB B CYS B 2 194 ? 51.593 -20.592 39.217 0.50 32.60 ? 218 CYS L CB 1 ATOM 3207 S SG A CYS B 2 194 ? 52.817 -20.839 37.910 0.50 33.25 ? 218 CYS L SG 1 ATOM 3208 S SG B CYS B 2 194 ? 53.113 -19.702 39.369 0.50 31.78 ? 218 CYS L SG 1 ATOM 3209 N N . GLU B 2 195 ? 52.139 -23.755 40.275 1.00 29.39 ? 219 GLU L N 1 ATOM 3210 C CA . GLU B 2 195 ? 53.042 -24.872 40.549 1.00 29.50 ? 219 GLU L CA 1 ATOM 3211 C C . GLU B 2 195 ? 53.531 -25.435 39.228 1.00 32.67 ? 219 GLU L C 1 ATOM 3212 O O . GLU B 2 195 ? 52.722 -25.801 38.369 1.00 34.97 ? 219 GLU L O 1 ATOM 3213 C CB . GLU B 2 195 ? 52.368 -25.999 41.346 1.00 30.97 ? 219 GLU L CB 1 ATOM 3214 C CG . GLU B 2 195 ? 51.893 -25.617 42.719 1.00 49.34 ? 219 GLU L CG 1 ATOM 3215 C CD . GLU B 2 195 ? 51.411 -26.815 43.532 1.00 55.43 ? 219 GLU L CD 1 ATOM 3216 O OE1 . GLU B 2 195 ? 51.546 -27.965 43.057 1.00 54.21 ? 219 GLU L OE1 1 ATOM 3217 O OE2 . GLU B 2 195 ? 50.894 -26.598 44.648 1.00 62.16 ? 219 GLU L OE2 1 ATOM 3218 N N . ALA B 2 196 ? 54.846 -25.534 39.085 1.00 31.57 ? 220 ALA L N 1 ATOM 3219 C CA . ALA B 2 196 ? 55.472 -26.009 37.857 1.00 35.05 ? 220 ALA L CA 1 ATOM 3220 C C . ALA B 2 196 ? 56.069 -27.389 38.083 1.00 38.03 ? 220 ALA L C 1 ATOM 3221 O O . ALA B 2 196 ? 56.860 -27.583 39.011 1.00 38.02 ? 220 ALA L O 1 ATOM 3222 C CB . ALA B 2 196 ? 56.567 -25.046 37.406 1.00 36.24 ? 220 ALA L CB 1 ATOM 3223 N N . THR B 2 197 ? 55.718 -28.338 37.224 1.00 33.82 ? 221 THR L N 1 ATOM 3224 C CA . THR B 2 197 ? 56.304 -29.668 37.262 1.00 32.88 ? 221 THR L CA 1 ATOM 3225 C C . THR B 2 197 ? 57.152 -29.856 36.009 1.00 35.70 ? 221 THR L C 1 ATOM 3226 O O . THR B 2 197 ? 56.676 -29.623 34.891 1.00 34.36 ? 221 THR L O 1 ATOM 3227 C CB . THR B 2 197 ? 55.213 -30.737 37.380 1.00 35.46 ? 221 THR L CB 1 ATOM 3228 O OG1 . THR B 2 197 ? 54.735 -30.777 38.741 1.00 42.49 ? 221 THR L OG1 1 ATOM 3229 C CG2 . THR B 2 197 ? 55.740 -32.109 36.994 1.00 45.99 ? 221 THR L CG2 1 ATOM 3230 N N . HIS B 2 198 ? 58.413 -30.244 36.204 1.00 36.54 ? 222 HIS L N 1 ATOM 3231 C CA . HIS B 2 198 ? 59.401 -30.319 35.131 1.00 36.41 ? 222 HIS L CA 1 ATOM 3232 C C . HIS B 2 198 ? 60.416 -31.394 35.494 1.00 45.37 ? 222 HIS L C 1 ATOM 3233 O O . HIS B 2 198 ? 60.671 -31.637 36.675 1.00 41.52 ? 222 HIS L O 1 ATOM 3234 C CB . HIS B 2 198 ? 60.090 -28.962 34.934 1.00 35.49 ? 222 HIS L CB 1 ATOM 3235 C CG . HIS B 2 198 ? 61.013 -28.902 33.752 1.00 35.71 ? 222 HIS L CG 1 ATOM 3236 N ND1 . HIS B 2 198 ? 62.386 -28.879 33.882 1.00 36.31 ? 222 HIS L ND1 1 ATOM 3237 C CD2 . HIS B 2 198 ? 60.761 -28.824 32.421 1.00 35.83 ? 222 HIS L CD2 1 ATOM 3238 C CE1 . HIS B 2 198 ? 62.941 -28.806 32.682 1.00 35.65 ? 222 HIS L CE1 1 ATOM 3239 N NE2 . HIS B 2 198 ? 61.977 -28.775 31.777 1.00 35.07 ? 222 HIS L NE2 1 ATOM 3240 N N . LYS B 2 199 ? 61.018 -32.022 34.477 1.00 45.46 ? 223 LYS L N 1 ATOM 3241 C CA . LYS B 2 199 ? 61.842 -33.200 34.745 1.00 45.19 ? 223 LYS L CA 1 ATOM 3242 C C . LYS B 2 199 ? 63.072 -32.890 35.592 1.00 47.20 ? 223 LYS L C 1 ATOM 3243 O O . LYS B 2 199 ? 63.672 -33.817 36.144 1.00 47.22 ? 223 LYS L O 1 ATOM 3244 C CB . LYS B 2 199 ? 62.293 -33.856 33.441 1.00 50.51 ? 223 LYS L CB 1 ATOM 3245 C CG . LYS B 2 199 ? 63.446 -33.136 32.782 1.00 45.17 ? 223 LYS L CG 1 ATOM 3246 C CD . LYS B 2 199 ? 64.274 -34.071 31.924 1.00 59.83 ? 223 LYS L CD 1 ATOM 3247 C CE . LYS B 2 199 ? 65.137 -34.971 32.783 1.00 64.42 ? 223 LYS L CE 1 ATOM 3248 N NZ . LYS B 2 199 ? 66.086 -35.765 31.961 1.00 76.14 ? 223 LYS L NZ 1 ATOM 3249 N N . THR B 2 200 ? 63.459 -31.616 35.714 1.00 42.58 ? 224 THR L N 1 ATOM 3250 C CA . THR B 2 200 ? 64.675 -31.282 36.450 1.00 42.35 ? 224 THR L CA 1 ATOM 3251 C C . THR B 2 200 ? 64.520 -31.493 37.955 1.00 49.36 ? 224 THR L C 1 ATOM 3252 O O . THR B 2 200 ? 65.517 -31.716 38.650 1.00 48.81 ? 224 THR L O 1 ATOM 3253 C CB . THR B 2 200 ? 65.092 -29.838 36.162 1.00 39.63 ? 224 THR L CB 1 ATOM 3254 O OG1 . THR B 2 200 ? 63.956 -28.971 36.266 1.00 38.44 ? 224 THR L OG1 1 ATOM 3255 C CG2 . THR B 2 200 ? 65.678 -29.724 34.755 1.00 41.28 ? 224 THR L CG2 1 ATOM 3256 N N . SER B 2 201 ? 63.304 -31.428 38.486 1.00 38.68 ? 225 SER L N 1 ATOM 3257 C CA . SER B 2 201 ? 63.129 -31.582 39.927 1.00 39.75 ? 225 SER L CA 1 ATOM 3258 C C . SER B 2 201 ? 62.063 -32.618 40.240 1.00 47.45 ? 225 SER L C 1 ATOM 3259 O O . SER B 2 201 ? 61.064 -32.744 39.525 1.00 46.40 ? 225 SER L O 1 ATOM 3260 C CB . SER B 2 201 ? 62.765 -30.259 40.597 1.00 42.52 ? 225 SER L CB 1 ATOM 3261 O OG . SER B 2 201 ? 62.576 -30.449 41.997 1.00 54.52 ? 225 SER L OG 1 ATOM 3262 N N . THR B 2 202 ? 62.282 -33.358 41.328 1.00 52.43 ? 226 THR L N 1 ATOM 3263 C CA . THR B 2 202 ? 61.282 -34.323 41.752 1.00 56.61 ? 226 THR L CA 1 ATOM 3264 C C . THR B 2 202 ? 60.063 -33.621 42.334 1.00 49.91 ? 226 THR L C 1 ATOM 3265 O O . THR B 2 202 ? 58.938 -34.120 42.222 1.00 50.77 ? 226 THR L O 1 ATOM 3266 C CB . THR B 2 202 ? 61.897 -35.282 42.771 1.00 71.07 ? 226 THR L CB 1 ATOM 3267 O OG1 . THR B 2 202 ? 63.174 -35.729 42.287 1.00 69.57 ? 226 THR L OG1 1 ATOM 3268 C CG2 . THR B 2 202 ? 60.991 -36.474 42.978 1.00 72.62 ? 226 THR L CG2 1 ATOM 3269 N N . SER B 2 203 ? 60.258 -32.537 42.909 1.00 51.54 ? 227 SER L N 1 ATOM 3270 C CA . SER B 2 203 ? 59.349 -31.648 43.602 1.00 48.37 ? 227 SER L CA 1 ATOM 3271 C C . SER B 2 203 ? 58.886 -30.544 42.668 1.00 37.80 ? 227 SER L C 1 ATOM 3272 O O . SER B 2 203 ? 59.685 -30.020 41.886 1.00 39.39 ? 227 SER L O 1 ATOM 3273 C CB . SER B 2 203 ? 60.039 -31.021 44.811 1.00 51.34 ? 227 SER L CB 1 ATOM 3274 O OG . SER B 2 203 ? 60.773 -31.999 45.522 1.00 62.97 ? 227 SER L OG 1 ATOM 3275 N N . PRO B 2 204 ? 57.617 -30.155 42.725 1.00 39.18 ? 228 PRO L N 1 ATOM 3276 C CA . PRO B 2 204 ? 57.177 -29.003 41.930 1.00 35.10 ? 228 PRO L CA 1 ATOM 3277 C C . PRO B 2 204 ? 57.778 -27.710 42.458 1.00 42.52 ? 228 PRO L C 1 ATOM 3278 O O . PRO B 2 204 ? 58.025 -27.553 43.663 1.00 38.08 ? 228 PRO L O 1 ATOM 3279 C CB . PRO B 2 204 ? 55.652 -29.004 42.097 1.00 36.65 ? 228 PRO L CB 1 ATOM 3280 C CG . PRO B 2 204 ? 55.311 -30.305 42.785 1.00 44.36 ? 228 PRO L CG 1 ATOM 3281 C CD . PRO B 2 204 ? 56.530 -30.725 43.529 1.00 42.66 ? 228 PRO L CD 1 ATOM 3282 N N . ILE B 2 205 ? 58.005 -26.781 41.533 1.00 39.94 ? 229 ILE L N 1 ATOM 3283 C CA . ILE B 2 205 ? 58.368 -25.412 41.882 1.00 37.53 ? 229 ILE L CA 1 ATOM 3284 C C . ILE B 2 205 ? 57.080 -24.661 42.184 1.00 34.08 ? 229 ILE L C 1 ATOM 3285 O O . ILE B 2 205 ? 56.151 -24.656 41.371 1.00 37.59 ? 229 ILE L O 1 ATOM 3286 C CB . ILE B 2 205 ? 59.153 -24.736 40.750 1.00 39.31 ? 229 ILE L CB 1 ATOM 3287 C CG1 . ILE B 2 205 ? 60.523 -25.393 40.570 1.00 40.68 ? 229 ILE L CG1 1 ATOM 3288 C CG2 . ILE B 2 205 ? 59.330 -23.258 41.051 1.00 38.04 ? 229 ILE L CG2 1 ATOM 3289 C CD1 . ILE B 2 205 ? 61.291 -24.877 39.343 1.00 50.20 ? 229 ILE L CD1 1 ATOM 3290 N N . VAL B 2 206 ? 57.005 -24.054 43.365 1.00 33.36 ? 230 VAL L N 1 ATOM 3291 C CA . VAL B 2 206 ? 55.767 -23.454 43.851 1.00 33.03 ? 230 VAL L CA 1 ATOM 3292 C C . VAL B 2 206 ? 56.017 -21.973 44.095 1.00 42.73 ? 230 VAL L C 1 ATOM 3293 O O . VAL B 2 206 ? 56.889 -21.609 44.895 1.00 45.08 ? 230 VAL L O 1 ATOM 3294 C CB . VAL B 2 206 ? 55.261 -24.142 45.128 1.00 43.50 ? 230 VAL L CB 1 ATOM 3295 C CG1 . VAL B 2 206 ? 54.025 -23.436 45.651 1.00 43.31 ? 230 VAL L CG1 1 ATOM 3296 C CG2 . VAL B 2 206 ? 54.965 -25.610 44.858 1.00 44.33 ? 230 VAL L CG2 1 ATOM 3297 N N . LYS B 2 207 ? 55.251 -21.125 43.414 1.00 33.79 ? 231 LYS L N 1 ATOM 3298 C CA . LYS B 2 207 ? 55.281 -19.678 43.600 1.00 32.24 ? 231 LYS L CA 1 ATOM 3299 C C . LYS B 2 207 ? 53.883 -19.244 44.016 1.00 33.37 ? 231 LYS L C 1 ATOM 3300 O O . LYS B 2 207 ? 52.896 -19.665 43.408 1.00 32.94 ? 231 LYS L O 1 ATOM 3301 C CB . LYS B 2 207 ? 55.725 -18.963 42.316 1.00 34.57 ? 231 LYS L CB 1 ATOM 3302 C CG . LYS B 2 207 ? 57.067 -18.289 42.403 1.00 47.40 ? 231 LYS L CG 1 ATOM 3303 C CD . LYS B 2 207 ? 58.155 -19.239 42.861 1.00 49.83 ? 231 LYS L CD 1 ATOM 3304 C CE . LYS B 2 207 ? 59.439 -18.488 43.093 1.00 54.89 ? 231 LYS L CE 1 ATOM 3305 N NZ . LYS B 2 207 ? 60.544 -19.399 43.483 1.00 62.97 ? 231 LYS L NZ 1 ATOM 3306 N N . SER B 2 208 ? 53.784 -18.427 45.065 1.00 31.44 ? 232 SER L N 1 ATOM 3307 C CA A SER B 2 208 ? 52.476 -18.120 45.622 0.50 32.64 ? 232 SER L CA 1 ATOM 3308 C CA B SER B 2 208 ? 52.476 -18.117 45.620 0.50 32.66 ? 232 SER L CA 1 ATOM 3309 C C . SER B 2 208 ? 52.471 -16.708 46.194 1.00 32.04 ? 232 SER L C 1 ATOM 3310 O O . SER B 2 208 ? 53.519 -16.140 46.514 1.00 36.64 ? 232 SER L O 1 ATOM 3311 C CB A SER B 2 208 ? 52.096 -19.146 46.701 0.50 35.58 ? 232 SER L CB 1 ATOM 3312 C CB B SER B 2 208 ? 52.095 -19.119 46.713 0.50 35.67 ? 232 SER L CB 1 ATOM 3313 O OG A SER B 2 208 ? 50.771 -18.960 47.152 0.50 45.75 ? 232 SER L OG 1 ATOM 3314 O OG B SER B 2 208 ? 53.020 -19.027 47.780 0.50 39.85 ? 232 SER L OG 1 ATOM 3315 N N . PHE B 2 209 ? 51.271 -16.146 46.316 1.00 32.13 ? 233 PHE L N 1 ATOM 3316 C CA . PHE B 2 209 ? 51.076 -14.919 47.086 1.00 34.40 ? 233 PHE L CA 1 ATOM 3317 C C . PHE B 2 209 ? 49.726 -14.984 47.781 1.00 34.89 ? 233 PHE L C 1 ATOM 3318 O O . PHE B 2 209 ? 48.852 -15.776 47.422 1.00 31.38 ? 233 PHE L O 1 ATOM 3319 C CB . PHE B 2 209 ? 51.167 -13.640 46.225 1.00 32.13 ? 233 PHE L CB 1 ATOM 3320 C CG . PHE B 2 209 ? 50.014 -13.461 45.272 1.00 32.42 ? 233 PHE L CG 1 ATOM 3321 C CD1 . PHE B 2 209 ? 48.858 -12.804 45.667 1.00 31.48 ? 233 PHE L CD1 1 ATOM 3322 C CD2 . PHE B 2 209 ? 50.093 -13.941 43.974 1.00 32.61 ? 233 PHE L CD2 1 ATOM 3323 C CE1 . PHE B 2 209 ? 47.793 -12.644 44.797 1.00 31.95 ? 233 PHE L CE1 1 ATOM 3324 C CE2 . PHE B 2 209 ? 49.033 -13.779 43.099 1.00 33.07 ? 233 PHE L CE2 1 ATOM 3325 C CZ . PHE B 2 209 ? 47.881 -13.134 43.512 1.00 34.76 ? 233 PHE L CZ 1 ATOM 3326 N N . ASN B 2 210 ? 49.578 -14.156 48.815 1.00 32.09 ? 234 ASN L N 1 ATOM 3327 C CA . ASN B 2 210 ? 48.307 -13.959 49.493 1.00 32.70 ? 234 ASN L CA 1 ATOM 3328 C C . ASN B 2 210 ? 47.882 -12.513 49.270 1.00 33.12 ? 234 ASN L C 1 ATOM 3329 O O . ASN B 2 210 ? 48.701 -11.604 49.426 1.00 34.35 ? 234 ASN L O 1 ATOM 3330 C CB . ASN B 2 210 ? 48.443 -14.265 51.000 1.00 34.73 ? 234 ASN L CB 1 ATOM 3331 C CG . ASN B 2 210 ? 47.118 -14.180 51.740 1.00 37.95 ? 234 ASN L CG 1 ATOM 3332 O OD1 . ASN B 2 210 ? 46.492 -13.119 51.803 1.00 36.12 ? 234 ASN L OD1 1 ATOM 3333 N ND2 . ASN B 2 210 ? 46.689 -15.299 52.320 1.00 39.60 ? 234 ASN L ND2 1 ATOM 3334 N N . ARG B 2 211 ? 46.608 -12.296 48.919 1.00 32.83 ? 235 ARG L N 1 ATOM 3335 C CA . ARG B 2 211 ? 46.125 -10.931 48.687 1.00 33.63 ? 235 ARG L CA 1 ATOM 3336 C C . ARG B 2 211 ? 46.403 -10.005 49.863 1.00 35.57 ? 235 ARG L C 1 ATOM 3337 O O . ARG B 2 211 ? 46.590 -8.798 49.678 1.00 36.73 ? 235 ARG L O 1 ATOM 3338 C CB . ARG B 2 211 ? 44.622 -10.926 48.433 1.00 33.77 ? 235 ARG L CB 1 ATOM 3339 C CG . ARG B 2 211 ? 44.169 -11.598 47.142 1.00 35.66 ? 235 ARG L CG 1 ATOM 3340 C CD . ARG B 2 211 ? 42.736 -11.196 46.819 1.00 34.12 ? 235 ARG L CD 1 ATOM 3341 N NE . ARG B 2 211 ? 41.833 -11.375 47.952 1.00 40.44 ? 235 ARG L NE 1 ATOM 3342 C CZ . ARG B 2 211 ? 41.315 -10.373 48.656 1.00 46.26 ? 235 ARG L CZ 1 ATOM 3343 N NH1 . ARG B 2 211 ? 40.510 -10.627 49.674 1.00 49.90 ? 235 ARG L NH1 1 ATOM 3344 N NH2 . ARG B 2 211 ? 41.600 -9.117 48.335 1.00 48.44 ? 235 ARG L NH2 1 ATOM 3345 N N . ASN B 2 212 ? 46.405 -10.546 51.074 1.00 36.52 ? 236 ASN L N 1 ATOM 3346 C CA . ASN B 2 212 ? 46.425 -9.731 52.280 1.00 38.95 ? 236 ASN L CA 1 ATOM 3347 C C . ASN B 2 212 ? 47.718 -9.810 53.072 1.00 49.55 ? 236 ASN L C 1 ATOM 3348 O O . ASN B 2 212 ? 47.881 -9.041 54.027 1.00 47.29 ? 236 ASN L O 1 ATOM 3349 C CB . ASN B 2 212 ? 45.267 -10.142 53.192 1.00 42.01 ? 236 ASN L CB 1 ATOM 3350 C CG . ASN B 2 212 ? 43.922 -9.813 52.598 1.00 44.60 ? 236 ASN L CG 1 ATOM 3351 O OD1 . ASN B 2 212 ? 43.699 -8.703 52.115 1.00 44.36 ? 236 ASN L OD1 1 ATOM 3352 N ND2 . ASN B 2 212 ? 43.012 -10.776 52.630 1.00 44.93 ? 236 ASN L ND2 1 ATOM 3353 N N . GLU B 2 213 ? 48.629 -10.712 52.729 1.00 39.81 ? 237 GLU L N 1 ATOM 3354 C CA . GLU B 2 213 ? 49.751 -11.008 53.607 1.00 45.11 ? 237 GLU L CA 1 ATOM 3355 C C . GLU B 2 213 ? 51.044 -11.077 52.815 1.00 41.66 ? 237 GLU L C 1 ATOM 3356 O O . GLU B 2 213 ? 51.043 -11.413 51.630 1.00 42.84 ? 237 GLU L O 1 ATOM 3357 C CB . GLU B 2 213 ? 49.537 -12.340 54.342 1.00 50.02 ? 237 GLU L CB 1 ATOM 3358 C CG . GLU B 2 213 ? 48.978 -12.238 55.734 1.00 78.28 ? 237 GLU L CG 1 ATOM 3359 C CD . GLU B 2 213 ? 48.645 -13.601 56.297 1.00 88.81 ? 237 GLU L CD 1 ATOM 3360 O OE1 . GLU B 2 213 ? 47.688 -14.222 55.794 1.00 88.49 ? 237 GLU L OE1 1 ATOM 3361 O OE2 . GLU B 2 213 ? 49.350 -14.061 57.221 1.00 100.24 ? 237 GLU L OE2 1 ATOM 3362 N N . CYS B 2 214 ? 52.147 -10.775 53.486 1.00 47.70 ? 238 CYS L N 1 ATOM 3363 C CA . CYS B 2 214 ? 53.482 -10.988 52.935 1.00 55.68 ? 238 CYS L CA 1 ATOM 3364 C C . CYS B 2 214 ? 54.296 -11.878 53.863 1.00 76.65 ? 238 CYS L C 1 ATOM 3365 O O . CYS B 2 214 ? 55.525 -11.840 53.849 1.00 87.06 ? 238 CYS L O 1 ATOM 3366 C CB . CYS B 2 214 ? 54.216 -9.659 52.714 1.00 48.96 ? 238 CYS L CB 1 ATOM 3367 S SG . CYS B 2 214 ? 53.830 -8.804 51.155 1.00 58.87 ? 238 CYS L SG 1 ATOM 3368 O OXT . CYS B 2 214 ? 53.745 -12.639 54.658 1.00 83.44 ? 238 CYS L OXT 1 HETATM 3369 C C1 . NAG C 3 . ? 43.035 -3.028 -6.228 1.00 38.80 ? 501 NAG H C1 1 HETATM 3370 C C2 . NAG C 3 . ? 41.829 -2.130 -5.960 1.00 41.50 ? 501 NAG H C2 1 HETATM 3371 C C3 . NAG C 3 . ? 40.905 -2.088 -7.182 1.00 37.97 ? 501 NAG H C3 1 HETATM 3372 C C4 . NAG C 3 . ? 41.682 -1.748 -8.448 1.00 32.94 ? 501 NAG H C4 1 HETATM 3373 C C5 . NAG C 3 . ? 42.895 -2.661 -8.584 1.00 31.70 ? 501 NAG H C5 1 HETATM 3374 C C6 . NAG C 3 . ? 43.792 -2.261 -9.728 1.00 32.79 ? 501 NAG H C6 1 HETATM 3375 C C7 . NAG C 3 . ? 41.335 -2.146 -3.553 1.00 50.97 ? 501 NAG H C7 1 HETATM 3376 C C8 . NAG C 3 . ? 40.492 -2.748 -2.468 1.00 46.64 ? 501 NAG H C8 1 HETATM 3377 N N2 . NAG C 3 . ? 41.100 -2.594 -4.792 1.00 39.42 ? 501 NAG H N2 1 HETATM 3378 O O3 . NAG C 3 . ? 39.912 -1.094 -6.954 1.00 41.47 ? 501 NAG H O3 1 HETATM 3379 O O4 . NAG C 3 . ? 40.864 -1.987 -9.589 1.00 35.60 ? 501 NAG H O4 1 HETATM 3380 O O5 . NAG C 3 . ? 43.697 -2.600 -7.395 1.00 37.37 ? 501 NAG H O5 1 HETATM 3381 O O6 . NAG C 3 . ? 44.179 -0.901 -9.601 1.00 35.15 ? 501 NAG H O6 1 HETATM 3382 O O7 . NAG C 3 . ? 42.190 -1.295 -3.318 1.00 48.05 ? 501 NAG H O7 1 HETATM 3383 C C1 . NAG D 3 . ? 40.262 -0.799 -10.127 1.00 37.20 ? 502 NAG H C1 1 HETATM 3384 C C2 . NAG D 3 . ? 39.783 -1.191 -11.516 1.00 34.96 ? 502 NAG H C2 1 HETATM 3385 C C3 . NAG D 3 . ? 39.026 -0.034 -12.159 1.00 35.41 ? 502 NAG H C3 1 HETATM 3386 C C4 . NAG D 3 . ? 37.906 0.452 -11.248 1.00 37.68 ? 502 NAG H C4 1 HETATM 3387 C C5 . NAG D 3 . ? 38.425 0.726 -9.838 1.00 42.34 ? 502 NAG H C5 1 HETATM 3388 C C6 . NAG D 3 . ? 37.306 0.978 -8.856 1.00 45.58 ? 502 NAG H C6 1 HETATM 3389 C C7 . NAG D 3 . ? 41.199 -2.889 -12.574 1.00 38.89 ? 502 NAG H C7 1 HETATM 3390 C C8 . NAG D 3 . ? 42.363 -3.144 -13.488 1.00 38.58 ? 502 NAG H C8 1 HETATM 3391 N N2 . NAG D 3 . ? 40.891 -1.608 -12.360 1.00 38.25 ? 502 NAG H N2 1 HETATM 3392 O O3 . NAG D 3 . ? 38.474 -0.481 -13.393 1.00 40.14 ? 502 NAG H O3 1 HETATM 3393 O O4 . NAG D 3 . ? 37.390 1.675 -11.759 1.00 38.12 ? 502 NAG H O4 1 HETATM 3394 O O5 . NAG D 3 . ? 39.154 -0.405 -9.335 1.00 41.84 ? 502 NAG H O5 1 HETATM 3395 O O6 . NAG D 3 . ? 37.811 1.415 -7.604 1.00 67.07 ? 502 NAG H O6 1 HETATM 3396 O O7 . NAG D 3 . ? 40.567 -3.801 -12.055 1.00 43.97 ? 502 NAG H O7 1 HETATM 3397 C C1 . BMA E 4 . ? 36.081 1.491 -12.304 1.00 39.57 ? 503 BMA H C1 1 HETATM 3398 C C2 . BMA E 4 . ? 35.357 2.820 -12.150 1.00 43.65 ? 503 BMA H C2 1 HETATM 3399 C C3 . BMA E 4 . ? 33.992 2.763 -12.858 1.00 46.49 ? 503 BMA H C3 1 HETATM 3400 C C4 . BMA E 4 . ? 34.143 2.259 -14.288 1.00 49.26 ? 503 BMA H C4 1 HETATM 3401 C C5 . BMA E 4 . ? 34.874 0.920 -14.276 1.00 43.84 ? 503 BMA H C5 1 HETATM 3402 C C6 . BMA E 4 . ? 35.119 0.362 -15.647 1.00 42.75 ? 503 BMA H C6 1 HETATM 3403 O O2 . BMA E 4 . ? 36.115 3.851 -12.781 1.00 39.08 ? 503 BMA H O2 1 HETATM 3404 O O3 . BMA E 4 . ? 33.352 4.025 -12.878 1.00 47.26 ? 503 BMA H O3 1 HETATM 3405 O O4 . BMA E 4 . ? 32.867 2.078 -14.858 1.00 54.03 ? 503 BMA H O4 1 HETATM 3406 O O5 . BMA E 4 . ? 36.153 1.099 -13.648 1.00 41.58 ? 503 BMA H O5 1 HETATM 3407 O O6 . BMA E 4 . ? 35.847 -0.820 -15.444 1.00 45.43 ? 503 BMA H O6 1 HETATM 3408 C C1 . MAN F 5 . ? 32.179 4.031 -12.045 1.00 50.91 ? 504 MAN H C1 1 HETATM 3409 C C2 . MAN F 5 . ? 31.395 5.329 -12.292 1.00 60.95 ? 504 MAN H C2 1 HETATM 3410 C C3 . MAN F 5 . ? 32.148 6.499 -11.694 1.00 56.23 ? 504 MAN H C3 1 HETATM 3411 C C4 . MAN F 5 . ? 32.370 6.254 -10.199 1.00 60.57 ? 504 MAN H C4 1 HETATM 3412 C C5 . MAN F 5 . ? 33.144 4.947 -9.996 1.00 56.50 ? 504 MAN H C5 1 HETATM 3413 C C6 . MAN F 5 . ? 33.265 4.580 -8.532 1.00 52.37 ? 504 MAN H C6 1 HETATM 3414 O O2 . MAN F 5 . ? 30.179 5.311 -11.563 1.00 72.76 ? 504 MAN H O2 1 HETATM 3415 O O3 . MAN F 5 . ? 31.444 7.723 -11.881 1.00 54.64 ? 504 MAN H O3 1 HETATM 3416 O O4 . MAN F 5 . ? 33.099 7.332 -9.614 1.00 59.44 ? 504 MAN H O4 1 HETATM 3417 O O5 . MAN F 5 . ? 32.469 3.845 -10.679 1.00 55.24 ? 504 MAN H O5 1 HETATM 3418 O O6 . MAN F 5 . ? 34.226 3.533 -8.415 1.00 52.24 ? 504 MAN H O6 1 HETATM 3419 C C1 . NAG G 3 . ? 29.163 4.687 -12.358 1.00 76.54 ? 505 NAG H C1 1 HETATM 3420 C C2 . NAG G 3 . ? 28.246 3.873 -11.457 1.00 75.45 ? 505 NAG H C2 1 HETATM 3421 C C3 . NAG G 3 . ? 27.153 3.203 -12.287 1.00 79.68 ? 505 NAG H C3 1 HETATM 3422 C C4 . NAG G 3 . ? 26.438 4.217 -13.174 1.00 90.51 ? 505 NAG H C4 1 HETATM 3423 C C5 . NAG G 3 . ? 27.442 5.062 -13.956 1.00 85.81 ? 505 NAG H C5 1 HETATM 3424 C C6 . NAG G 3 . ? 26.797 6.205 -14.704 1.00 84.23 ? 505 NAG H C6 1 HETATM 3425 C C7 . NAG G 3 . ? 29.430 3.064 -9.454 1.00 68.34 ? 505 NAG H C7 1 HETATM 3426 C C8 . NAG G 3 . ? 30.185 1.923 -8.844 1.00 61.53 ? 505 NAG H C8 1 HETATM 3427 N N2 . NAG G 3 . ? 28.997 2.878 -10.707 1.00 72.08 ? 505 NAG H N2 1 HETATM 3428 O O3 . NAG G 3 . ? 26.224 2.574 -11.412 1.00 72.26 ? 505 NAG H O3 1 HETATM 3429 O O4 . NAG G 3 . ? 25.635 3.526 -14.124 1.00 109.20 ? 505 NAG H O4 1 HETATM 3430 O O5 . NAG G 3 . ? 28.404 5.644 -13.067 1.00 80.92 ? 505 NAG H O5 1 HETATM 3431 O O6 . NAG G 3 . ? 27.611 6.654 -15.779 1.00 81.85 ? 505 NAG H O6 1 HETATM 3432 O O7 . NAG G 3 . ? 29.225 4.108 -8.841 1.00 69.43 ? 505 NAG H O7 1 HETATM 3433 C C1 . GAL H 6 . ? 24.241 3.505 -13.768 1.00 125.03 ? 506 GAL H C1 1 HETATM 3434 C C2 . GAL H 6 . ? 23.462 3.147 -15.052 1.00 130.53 ? 506 GAL H C2 1 HETATM 3435 C C3 . GAL H 6 . ? 21.974 3.008 -14.772 1.00 135.35 ? 506 GAL H C3 1 HETATM 3436 C C4 . GAL H 6 . ? 21.760 1.936 -13.699 1.00 136.28 ? 506 GAL H C4 1 HETATM 3437 C C5 . GAL H 6 . ? 22.567 2.295 -12.445 1.00 133.93 ? 506 GAL H C5 1 HETATM 3438 C C6 . GAL H 6 . ? 22.562 1.197 -11.373 1.00 130.39 ? 506 GAL H C6 1 HETATM 3439 O O2 . GAL H 6 . ? 23.618 4.126 -16.079 1.00 126.81 ? 506 GAL H O2 1 HETATM 3440 O O3 . GAL H 6 . ? 21.275 2.594 -15.941 1.00 135.91 ? 506 GAL H O3 1 HETATM 3441 O O4 . GAL H 6 . ? 22.170 0.667 -14.185 1.00 137.86 ? 506 GAL H O4 1 HETATM 3442 O O5 . GAL H 6 . ? 23.968 2.547 -12.737 1.00 133.04 ? 506 GAL H O5 1 HETATM 3443 O O6 . GAL H 6 . ? 23.298 1.577 -10.224 1.00 129.06 ? 506 GAL H O6 1 HETATM 3444 C C1 . MAN I 5 . ? 35.883 -1.619 -16.633 1.00 44.66 ? 507 MAN H C1 1 HETATM 3445 C C2 . MAN I 5 . ? 36.246 -3.044 -16.211 1.00 54.66 ? 507 MAN H C2 1 HETATM 3446 C C3 . MAN I 5 . ? 37.665 -3.048 -15.644 1.00 51.69 ? 507 MAN H C3 1 HETATM 3447 C C4 . MAN I 5 . ? 38.660 -2.378 -16.624 1.00 49.37 ? 507 MAN H C4 1 HETATM 3448 C C5 . MAN I 5 . ? 38.143 -0.984 -17.029 1.00 48.19 ? 507 MAN H C5 1 HETATM 3449 C C6 . MAN I 5 . ? 38.981 -0.330 -18.103 1.00 50.16 ? 507 MAN H C6 1 HETATM 3450 O O2 . MAN I 5 . ? 36.286 -3.928 -17.337 1.00 64.37 ? 507 MAN H O2 1 HETATM 3451 O O3 . MAN I 5 . ? 38.099 -4.362 -15.325 1.00 56.15 ? 507 MAN H O3 1 HETATM 3452 O O4 . MAN I 5 . ? 39.923 -2.237 -16.002 1.00 55.65 ? 507 MAN H O4 1 HETATM 3453 O O5 . MAN I 5 . ? 36.796 -1.102 -17.540 1.00 47.21 ? 507 MAN H O5 1 HETATM 3454 O O6 . MAN I 5 . ? 39.020 -1.217 -19.205 1.00 53.98 ? 507 MAN H O6 1 HETATM 3455 C C1 . NAG J 3 . ? 35.003 -4.562 -17.485 1.00 84.29 ? 508 NAG H C1 1 HETATM 3456 C C2 . NAG J 3 . ? 34.915 -5.165 -18.880 1.00 89.25 ? 508 NAG H C2 1 HETATM 3457 C C3 . NAG J 3 . ? 33.551 -5.819 -19.083 1.00 100.93 ? 508 NAG H C3 1 HETATM 3458 C C4 . NAG J 3 . ? 33.285 -6.835 -17.979 1.00 104.28 ? 508 NAG H C4 1 HETATM 3459 C C5 . NAG J 3 . ? 33.460 -6.187 -16.606 1.00 99.92 ? 508 NAG H C5 1 HETATM 3460 C C6 . NAG J 3 . ? 33.356 -7.176 -15.469 1.00 97.97 ? 508 NAG H C6 1 HETATM 3461 C C7 . NAG J 3 . ? 36.368 -3.967 -20.451 1.00 76.31 ? 508 NAG H C7 1 HETATM 3462 C C8 . NAG J 3 . ? 36.452 -2.887 -21.487 1.00 75.67 ? 508 NAG H C8 1 HETATM 3463 N N2 . NAG J 3 . ? 35.165 -4.160 -19.900 1.00 81.12 ? 508 NAG H N2 1 HETATM 3464 O O3 . NAG J 3 . ? 33.507 -6.458 -20.354 1.00 106.57 ? 508 NAG H O3 1 HETATM 3465 O O4 . NAG J 3 . ? 31.964 -7.353 -18.096 1.00 108.67 ? 508 NAG H O4 1 HETATM 3466 O O5 . NAG J 3 . ? 34.758 -5.579 -16.505 1.00 94.47 ? 508 NAG H O5 1 HETATM 3467 O O6 . NAG J 3 . ? 34.609 -7.352 -14.821 1.00 95.96 ? 508 NAG H O6 1 HETATM 3468 O O7 . NAG J 3 . ? 37.345 -4.636 -20.129 1.00 76.93 ? 508 NAG H O7 1 HETATM 3469 C C1 . FUC K 7 . ? 45.459 -0.702 -10.215 1.00 32.56 ? 509 FUC H C1 1 HETATM 3470 C C2 . FUC K 7 . ? 45.734 0.788 -10.182 1.00 37.88 ? 509 FUC H C2 1 HETATM 3471 C C3 . FUC K 7 . ? 45.884 1.259 -8.731 1.00 36.99 ? 509 FUC H C3 1 HETATM 3472 C C4 . FUC K 7 . ? 46.963 0.452 -8.019 1.00 40.15 ? 509 FUC H C4 1 HETATM 3473 C C5 . FUC K 7 . ? 46.645 -1.038 -8.153 1.00 35.90 ? 509 FUC H C5 1 HETATM 3474 C C6 . FUC K 7 . ? 47.706 -1.950 -7.564 1.00 38.06 ? 509 FUC H C6 1 HETATM 3475 O O2 . FUC K 7 . ? 44.707 1.544 -10.804 1.00 37.99 ? 509 FUC H O2 1 HETATM 3476 O O3 . FUC K 7 . ? 46.270 2.634 -8.721 1.00 37.71 ? 509 FUC H O3 1 HETATM 3477 O O4 . FUC K 7 . ? 48.233 0.735 -8.586 1.00 39.17 ? 509 FUC H O4 1 HETATM 3478 O O5 . FUC K 7 . ? 46.458 -1.423 -9.558 1.00 38.95 ? 509 FUC H O5 1 HETATM 3479 CL CL . CL L 8 . ? 52.941 -24.581 -2.291 1.00 39.36 ? 510 CL H CL 1 HETATM 3480 O O . HOH M 9 . ? 42.261 1.058 -3.507 1.00 55.73 ? 601 HOH H O 1 HETATM 3481 O O . HOH M 9 . ? 64.166 -6.334 2.660 1.00 47.26 ? 602 HOH H O 1 HETATM 3482 O O . HOH M 9 . ? 41.138 -6.390 -7.978 1.00 53.47 ? 603 HOH H O 1 HETATM 3483 O O . HOH M 9 . ? 67.725 -1.029 -1.185 1.00 44.15 ? 604 HOH H O 1 HETATM 3484 O O . HOH M 9 . ? 53.111 -1.926 40.115 1.00 54.52 ? 605 HOH H O 1 HETATM 3485 O O . HOH M 9 . ? 43.342 -13.841 13.957 1.00 51.30 ? 606 HOH H O 1 HETATM 3486 O O . HOH M 9 . ? 34.128 -12.220 22.569 1.00 56.05 ? 607 HOH H O 1 HETATM 3487 O O . HOH M 9 . ? 55.107 -16.605 8.799 1.00 43.54 ? 608 HOH H O 1 HETATM 3488 O O . HOH M 9 . ? 54.853 -13.619 45.593 1.00 58.76 ? 609 HOH H O 1 HETATM 3489 O O . HOH M 9 . ? 71.063 -11.123 -9.104 1.00 57.17 ? 610 HOH H O 1 HETATM 3490 O O . HOH M 9 . ? 47.643 -6.887 -8.836 1.00 58.11 ? 611 HOH H O 1 HETATM 3491 O O . HOH M 9 . ? 43.219 -14.172 -11.156 1.00 49.76 ? 612 HOH H O 1 HETATM 3492 O O . HOH M 9 . ? 62.035 -18.699 -17.434 1.00 58.82 ? 613 HOH H O 1 HETATM 3493 O O . HOH M 9 . ? 35.336 -6.238 21.082 1.00 58.46 ? 614 HOH H O 1 HETATM 3494 O O . HOH M 9 . ? 51.915 1.585 -9.414 1.00 43.56 ? 615 HOH H O 1 HETATM 3495 O O . HOH M 9 . ? 35.757 6.230 -11.917 1.00 48.00 ? 616 HOH H O 1 HETATM 3496 O O . HOH M 9 . ? 48.055 -21.725 3.087 1.00 51.46 ? 617 HOH H O 1 HETATM 3497 O O . HOH M 9 . ? 60.251 1.629 36.540 1.00 37.57 ? 618 HOH H O 1 HETATM 3498 O O . HOH M 9 . ? 67.416 0.069 42.109 1.00 58.97 ? 619 HOH H O 1 HETATM 3499 O O . HOH M 9 . ? 51.063 -23.819 -4.362 1.00 41.84 ? 620 HOH H O 1 HETATM 3500 O O . HOH M 9 . ? 35.778 -9.434 -2.918 1.00 43.52 ? 621 HOH H O 1 HETATM 3501 O O . HOH M 9 . ? 51.757 -16.892 9.718 1.00 47.24 ? 622 HOH H O 1 HETATM 3502 O O . HOH M 9 . ? 50.037 -14.642 24.850 1.00 30.97 ? 623 HOH H O 1 HETATM 3503 O O . HOH M 9 . ? 43.957 -13.322 29.383 1.00 41.88 ? 624 HOH H O 1 HETATM 3504 O O . HOH M 9 . ? 65.549 3.572 32.117 1.00 51.11 ? 625 HOH H O 1 HETATM 3505 O O . HOH M 9 . ? 42.431 1.832 -9.539 1.00 43.96 ? 626 HOH H O 1 HETATM 3506 O O . HOH M 9 . ? 69.347 -12.683 -2.187 1.00 54.16 ? 627 HOH H O 1 HETATM 3507 O O . HOH M 9 . ? 59.191 -7.558 22.641 1.00 36.82 ? 628 HOH H O 1 HETATM 3508 O O . HOH M 9 . ? 59.552 -11.865 8.425 1.00 33.46 ? 629 HOH H O 1 HETATM 3509 O O . HOH M 9 . ? 38.548 -14.165 13.903 1.00 52.44 ? 630 HOH H O 1 HETATM 3510 O O . HOH M 9 . ? 55.641 -5.598 -16.550 1.00 33.06 ? 631 HOH H O 1 HETATM 3511 O O . HOH M 9 . ? 63.823 -12.938 38.409 1.00 51.69 ? 632 HOH H O 1 HETATM 3512 O O . HOH M 9 . ? 42.399 -13.332 25.195 1.00 40.32 ? 633 HOH H O 1 HETATM 3513 O O . HOH M 9 . ? 63.247 -9.855 4.564 1.00 39.69 ? 634 HOH H O 1 HETATM 3514 O O . HOH M 9 . ? 52.793 4.063 -12.949 1.00 43.78 ? 635 HOH H O 1 HETATM 3515 O O . HOH M 9 . ? 61.388 3.849 31.308 1.00 36.15 ? 636 HOH H O 1 HETATM 3516 O O . HOH M 9 . ? 46.334 -12.591 -14.180 1.00 34.75 ? 637 HOH H O 1 HETATM 3517 O O . HOH M 9 . ? 67.745 -7.255 30.965 1.00 47.38 ? 638 HOH H O 1 HETATM 3518 O O . HOH M 9 . ? 54.469 -25.918 3.073 1.00 47.19 ? 639 HOH H O 1 HETATM 3519 O O . HOH M 9 . ? 41.347 -6.332 30.327 1.00 52.15 ? 640 HOH H O 1 HETATM 3520 O O . HOH M 9 . ? 52.562 0.854 43.813 1.00 53.53 ? 641 HOH H O 1 HETATM 3521 O O . HOH M 9 . ? 42.616 -19.728 -0.229 1.00 49.08 ? 642 HOH H O 1 HETATM 3522 O O . HOH M 9 . ? 32.673 1.871 -17.522 1.00 54.32 ? 643 HOH H O 1 HETATM 3523 O O . HOH M 9 . ? 62.294 -4.719 4.151 1.00 40.25 ? 644 HOH H O 1 HETATM 3524 O O . HOH M 9 . ? 52.153 -3.571 15.485 1.00 45.55 ? 645 HOH H O 1 HETATM 3525 O O . HOH M 9 . ? 41.396 -6.504 -4.594 1.00 43.01 ? 646 HOH H O 1 HETATM 3526 O O . HOH M 9 . ? 53.575 1.192 -15.408 1.00 44.19 ? 647 HOH H O 1 HETATM 3527 O O . HOH M 9 . ? 50.300 -21.410 4.651 1.00 43.61 ? 648 HOH H O 1 HETATM 3528 O O . HOH M 9 . ? 42.068 -6.154 -11.658 1.00 41.57 ? 649 HOH H O 1 HETATM 3529 O O . HOH M 9 . ? 41.312 -1.738 31.605 1.00 51.45 ? 650 HOH H O 1 HETATM 3530 O O . HOH M 9 . ? 57.279 -4.250 43.038 1.00 33.48 ? 651 HOH H O 1 HETATM 3531 O O . HOH M 9 . ? 54.159 2.160 -5.732 1.00 31.52 ? 652 HOH H O 1 HETATM 3532 O O . HOH M 9 . ? 36.660 4.699 -8.197 1.00 53.72 ? 653 HOH H O 1 HETATM 3533 O O . HOH M 9 . ? 52.243 -9.428 17.594 1.00 40.21 ? 654 HOH H O 1 HETATM 3534 O O . HOH M 9 . ? 63.396 1.497 -5.544 1.00 47.23 ? 655 HOH H O 1 HETATM 3535 O O . HOH M 9 . ? 56.562 -5.529 5.448 1.00 32.33 ? 656 HOH H O 1 HETATM 3536 O O . HOH M 9 . ? 46.324 -8.824 10.492 1.00 40.14 ? 657 HOH H O 1 HETATM 3537 O O . HOH M 9 . ? 62.232 -23.426 -7.057 1.00 40.14 ? 658 HOH H O 1 HETATM 3538 O O . HOH M 9 . ? 45.560 -2.387 1.268 1.00 37.02 ? 659 HOH H O 1 HETATM 3539 O O . HOH M 9 . ? 35.817 7.151 -9.494 1.00 50.85 ? 660 HOH H O 1 HETATM 3540 O O . HOH M 9 . ? 30.207 -2.449 18.933 1.00 64.70 ? 661 HOH H O 1 HETATM 3541 O O . HOH M 9 . ? 47.679 -8.324 -13.781 1.00 34.26 ? 662 HOH H O 1 HETATM 3542 O O . HOH M 9 . ? 63.873 -16.098 -12.831 1.00 43.76 ? 663 HOH H O 1 HETATM 3543 O O . HOH M 9 . ? 61.500 3.444 38.166 1.00 43.04 ? 664 HOH H O 1 HETATM 3544 O O . HOH M 9 . ? 48.184 -3.003 -10.984 1.00 38.04 ? 665 HOH H O 1 HETATM 3545 O O . HOH M 9 . ? 44.201 -19.224 7.395 1.00 42.25 ? 666 HOH H O 1 HETATM 3546 O O . HOH M 9 . ? 50.622 -14.516 27.322 1.00 33.66 ? 667 HOH H O 1 HETATM 3547 O O . HOH M 9 . ? 49.931 -15.561 17.773 1.00 40.09 ? 668 HOH H O 1 HETATM 3548 O O . HOH M 9 . ? 40.346 -19.370 -7.254 1.00 61.68 ? 669 HOH H O 1 HETATM 3549 O O . HOH M 9 . ? 45.037 -23.182 -0.706 1.00 57.74 ? 670 HOH H O 1 HETATM 3550 O O . HOH M 9 . ? 40.896 -15.734 10.399 1.00 51.00 ? 671 HOH H O 1 HETATM 3551 O O . HOH M 9 . ? 67.629 -15.604 0.502 1.00 31.53 ? 672 HOH H O 1 HETATM 3552 O O . HOH M 9 . ? 50.109 0.625 -10.604 1.00 39.52 ? 673 HOH H O 1 HETATM 3553 O O . HOH M 9 . ? 40.710 -3.363 -19.588 1.00 50.50 ? 674 HOH H O 1 HETATM 3554 O O . HOH M 9 . ? 45.453 -21.478 4.074 1.00 50.00 ? 675 HOH H O 1 HETATM 3555 O O . HOH M 9 . ? 34.058 1.044 -9.603 1.00 58.70 ? 676 HOH H O 1 HETATM 3556 O O . HOH M 9 . ? 62.256 -3.835 23.658 1.00 36.90 ? 677 HOH H O 1 HETATM 3557 O O . HOH M 9 . ? 39.087 -4.035 8.850 1.00 65.76 ? 678 HOH H O 1 HETATM 3558 O O . HOH M 9 . ? 56.186 -19.581 -15.988 1.00 36.39 ? 679 HOH H O 1 HETATM 3559 O O . HOH M 9 . ? 36.770 -8.852 18.394 1.00 40.76 ? 680 HOH H O 1 HETATM 3560 O O . HOH M 9 . ? 51.633 -3.974 39.006 1.00 34.76 ? 681 HOH H O 1 HETATM 3561 O O . HOH M 9 . ? 47.909 4.162 -10.376 1.00 49.21 ? 682 HOH H O 1 HETATM 3562 O O . HOH M 9 . ? 71.694 -5.578 -6.846 1.00 59.47 ? 683 HOH H O 1 HETATM 3563 O O . HOH M 9 . ? 50.316 0.000 0.000 0.50 38.36 ? 684 HOH H O 1 HETATM 3564 O O . HOH M 9 . ? 41.115 -3.179 11.791 1.00 40.48 ? 685 HOH H O 1 HETATM 3565 O O . HOH M 9 . ? 51.451 -6.029 -14.480 1.00 30.33 ? 686 HOH H O 1 HETATM 3566 O O . HOH M 9 . ? 54.282 -5.887 48.611 1.00 29.45 ? 687 HOH H O 1 HETATM 3567 O O . HOH M 9 . ? 49.206 -6.218 8.969 1.00 59.90 ? 688 HOH H O 1 HETATM 3568 O O . HOH M 9 . ? 58.046 -6.574 45.837 1.00 36.73 ? 689 HOH H O 1 HETATM 3569 O O . HOH M 9 . ? 57.969 5.972 31.051 1.00 47.83 ? 690 HOH H O 1 HETATM 3570 O O . HOH M 9 . ? 37.986 -16.780 19.086 1.00 56.61 ? 691 HOH H O 1 HETATM 3571 O O . HOH M 9 . ? 59.455 -20.305 -7.344 1.00 46.74 ? 692 HOH H O 1 HETATM 3572 O O . HOH M 9 . ? 56.023 -7.334 19.909 1.00 43.36 ? 693 HOH H O 1 HETATM 3573 O O . HOH M 9 . ? 53.246 -0.481 37.803 1.00 44.10 ? 694 HOH H O 1 HETATM 3574 O O . HOH M 9 . ? 47.021 3.581 13.220 1.00 38.20 ? 695 HOH H O 1 HETATM 3575 O O . HOH M 9 . ? 35.626 -17.463 6.056 1.00 57.46 ? 696 HOH H O 1 HETATM 3576 O O . HOH M 9 . ? 49.551 -11.518 -18.985 1.00 46.41 ? 697 HOH H O 1 HETATM 3577 O O . HOH M 9 . ? 51.995 -12.774 18.607 1.00 33.29 ? 698 HOH H O 1 HETATM 3578 O O . HOH M 9 . ? 64.390 -4.240 43.089 1.00 53.13 ? 699 HOH H O 1 HETATM 3579 O O . HOH M 9 . ? 62.353 -12.239 31.316 1.00 35.49 ? 700 HOH H O 1 HETATM 3580 O O . HOH M 9 . ? 33.497 -8.984 17.547 1.00 44.65 ? 701 HOH H O 1 HETATM 3581 O O . HOH M 9 . ? 54.230 -11.900 20.381 1.00 37.13 ? 702 HOH H O 1 HETATM 3582 O O . HOH M 9 . ? 59.704 -4.923 44.445 1.00 48.29 ? 703 HOH H O 1 HETATM 3583 O O . HOH M 9 . ? 40.602 -3.748 25.993 1.00 46.34 ? 704 HOH H O 1 HETATM 3584 O O . HOH M 9 . ? 59.242 -10.546 -19.691 1.00 33.02 ? 705 HOH H O 1 HETATM 3585 O O . HOH M 9 . ? 69.997 -5.672 -10.539 1.00 48.17 ? 706 HOH H O 1 HETATM 3586 O O . HOH M 9 . ? 58.405 -14.039 9.153 1.00 47.61 ? 707 HOH H O 1 HETATM 3587 O O . HOH M 9 . ? 34.908 -2.562 18.986 1.00 46.73 ? 708 HOH H O 1 HETATM 3588 O O . HOH M 9 . ? 61.953 -0.918 49.739 1.00 58.06 ? 709 HOH H O 1 HETATM 3589 O O . HOH M 9 . ? 64.186 -13.450 -12.168 1.00 30.33 ? 710 HOH H O 1 HETATM 3590 O O . HOH M 9 . ? 44.636 -11.263 13.852 1.00 31.34 ? 711 HOH H O 1 HETATM 3591 O O . HOH M 9 . ? 62.534 -1.102 -12.773 1.00 44.89 ? 712 HOH H O 1 HETATM 3592 O O . HOH M 9 . ? 45.563 0.388 28.774 1.00 46.83 ? 713 HOH H O 1 HETATM 3593 O O . HOH M 9 . ? 61.057 -12.843 23.102 1.00 42.73 ? 714 HOH H O 1 HETATM 3594 O O . HOH M 9 . ? 64.851 -0.203 -12.881 1.00 61.84 ? 715 HOH H O 1 HETATM 3595 O O . HOH M 9 . ? 41.341 -10.108 -7.176 1.00 46.40 ? 716 HOH H O 1 HETATM 3596 O O . HOH M 9 . ? 58.731 4.187 -6.964 1.00 37.33 ? 717 HOH H O 1 HETATM 3597 O O . HOH M 9 . ? 54.930 -6.790 15.556 1.00 54.10 ? 718 HOH H O 1 HETATM 3598 O O . HOH M 9 . ? 43.928 4.314 -10.806 1.00 34.69 ? 719 HOH H O 1 HETATM 3599 O O . HOH M 9 . ? 41.771 -10.723 26.496 1.00 36.91 ? 720 HOH H O 1 HETATM 3600 O O . HOH M 9 . ? 51.937 -25.549 0.812 1.00 54.16 ? 721 HOH H O 1 HETATM 3601 O O . HOH M 9 . ? 61.340 -5.258 -18.527 1.00 43.30 ? 722 HOH H O 1 HETATM 3602 O O . HOH M 9 . ? 45.570 -18.471 19.523 1.00 43.00 ? 723 HOH H O 1 HETATM 3603 O O . HOH M 9 . ? 67.085 0.911 28.983 1.00 53.51 ? 724 HOH H O 1 HETATM 3604 O O . HOH M 9 . ? 56.860 -24.943 4.055 1.00 49.59 ? 725 HOH H O 1 HETATM 3605 O O . HOH M 9 . ? 38.814 -13.200 25.721 1.00 51.55 ? 726 HOH H O 1 HETATM 3606 O O . HOH M 9 . ? 52.341 -4.177 6.851 1.00 47.97 ? 727 HOH H O 1 HETATM 3607 O O . HOH M 9 . ? 38.147 0.572 -21.298 1.00 41.75 ? 728 HOH H O 1 HETATM 3608 O O . HOH M 9 . ? 50.031 -15.537 -18.332 1.00 46.94 ? 729 HOH H O 1 HETATM 3609 O O . HOH M 9 . ? 31.309 9.197 -8.320 1.00 51.96 ? 730 HOH H O 1 HETATM 3610 O O . HOH M 9 . ? 52.257 3.082 35.548 1.00 49.64 ? 731 HOH H O 1 HETATM 3611 O O . HOH M 9 . ? 47.643 -13.004 9.800 1.00 34.52 ? 732 HOH H O 1 HETATM 3612 O O . HOH M 9 . ? 63.427 -11.469 23.164 1.00 53.66 ? 733 HOH H O 1 HETATM 3613 O O . HOH M 9 . ? 59.750 -10.989 40.096 1.00 40.50 ? 734 HOH H O 1 HETATM 3614 O O . HOH M 9 . ? 57.527 -14.468 42.175 1.00 35.19 ? 735 HOH H O 1 HETATM 3615 O O . HOH M 9 . ? 52.002 -6.866 9.059 1.00 36.67 ? 736 HOH H O 1 HETATM 3616 O O . HOH M 9 . ? 34.909 -14.333 11.259 1.00 58.81 ? 737 HOH H O 1 HETATM 3617 O O . HOH M 9 . ? 62.420 -14.976 24.080 1.00 48.24 ? 738 HOH H O 1 HETATM 3618 O O . HOH M 9 . ? 53.034 -2.096 -15.594 1.00 52.46 ? 739 HOH H O 1 HETATM 3619 O O . HOH M 9 . ? 50.660 6.076 27.467 1.00 46.46 ? 740 HOH H O 1 HETATM 3620 O O . HOH M 9 . ? 59.390 -5.716 19.594 1.00 50.23 ? 741 HOH H O 1 HETATM 3621 O O . HOH M 9 . ? 64.782 -0.789 -10.547 1.00 50.16 ? 742 HOH H O 1 HETATM 3622 O O . HOH M 9 . ? 58.470 3.745 22.322 1.00 59.11 ? 743 HOH H O 1 HETATM 3623 O O . HOH M 9 . ? 39.394 -11.789 29.705 1.00 48.28 ? 744 HOH H O 1 HETATM 3624 O O . HOH M 9 . ? 54.970 -1.430 0.119 1.00 35.35 ? 745 HOH H O 1 HETATM 3625 O O . HOH M 9 . ? 65.074 -22.924 -12.126 1.00 63.66 ? 746 HOH H O 1 HETATM 3626 O O . HOH M 9 . ? 36.203 -5.207 0.963 1.00 64.29 ? 747 HOH H O 1 HETATM 3627 O O . HOH M 9 . ? 70.135 -5.645 34.407 1.00 50.78 ? 748 HOH H O 1 HETATM 3628 O O . HOH M 9 . ? 69.321 -4.856 26.488 1.00 57.33 ? 749 HOH H O 1 HETATM 3629 O O . HOH M 9 . ? 56.242 -9.244 9.275 1.00 40.57 ? 750 HOH H O 1 HETATM 3630 O O . HOH M 9 . ? 37.984 -5.652 24.849 1.00 47.04 ? 751 HOH H O 1 HETATM 3631 O O . HOH M 9 . ? 67.303 1.122 -5.923 1.00 55.60 ? 752 HOH H O 1 HETATM 3632 O O . HOH M 9 . ? 34.791 -14.514 14.753 1.00 59.92 ? 753 HOH H O 1 HETATM 3633 O O . HOH M 9 . ? 70.912 -8.160 -6.783 1.00 46.93 ? 754 HOH H O 1 HETATM 3634 O O . HOH M 9 . ? 39.040 -4.407 -9.578 1.00 55.54 ? 755 HOH H O 1 HETATM 3635 O O . HOH M 9 . ? 65.818 -13.503 26.295 1.00 51.09 ? 756 HOH H O 1 HETATM 3636 O O . HOH M 9 . ? 46.241 -21.814 -12.091 1.00 56.79 ? 757 HOH H O 1 HETATM 3637 O O . HOH M 9 . ? 47.444 -3.635 14.451 1.00 36.60 ? 758 HOH H O 1 HETATM 3638 O O . HOH M 9 . ? 56.035 -0.913 20.649 1.00 42.67 ? 759 HOH H O 1 HETATM 3639 O O . HOH M 9 . ? 47.934 -20.024 -13.641 1.00 41.77 ? 760 HOH H O 1 HETATM 3640 O O . HOH M 9 . ? 49.389 -1.727 5.819 1.00 40.78 ? 761 HOH H O 1 HETATM 3641 O O . HOH M 9 . ? 50.162 -10.661 12.772 1.00 39.53 ? 762 HOH H O 1 HETATM 3642 O O . HOH M 9 . ? 59.903 -14.006 -19.735 1.00 51.73 ? 763 HOH H O 1 HETATM 3643 O O . HOH M 9 . ? 43.504 -2.025 -0.687 1.00 37.66 ? 764 HOH H O 1 HETATM 3644 O O . HOH M 9 . ? 46.588 5.639 22.201 1.00 55.35 ? 765 HOH H O 1 HETATM 3645 O O . HOH M 9 . ? 55.294 2.768 15.806 1.00 33.93 ? 766 HOH H O 1 HETATM 3646 O O . HOH M 9 . ? 48.248 -1.348 -1.414 1.00 49.63 ? 767 HOH H O 1 HETATM 3647 O O . HOH M 9 . ? 59.949 4.204 26.980 1.00 40.14 ? 768 HOH H O 1 HETATM 3648 O O . HOH M 9 . ? 66.485 -14.732 28.573 1.00 50.17 ? 769 HOH H O 1 HETATM 3649 O O . HOH M 9 . ? 58.249 -10.908 52.504 1.00 55.28 ? 770 HOH H O 1 HETATM 3650 O O . HOH M 9 . ? 42.608 -3.111 7.083 1.00 49.79 ? 771 HOH H O 1 HETATM 3651 O O . HOH M 9 . ? 45.462 -0.367 -4.535 1.00 36.93 ? 772 HOH H O 1 HETATM 3652 O O . HOH M 9 . ? 52.785 4.962 32.671 1.00 52.92 ? 773 HOH H O 1 HETATM 3653 O O . HOH M 9 . ? 53.843 -26.274 9.806 1.00 51.48 ? 774 HOH H O 1 HETATM 3654 O O . HOH M 9 . ? 55.883 0.342 -15.978 1.00 52.08 ? 775 HOH H O 1 HETATM 3655 O O . HOH M 9 . ? 40.633 1.562 -5.549 1.00 53.72 ? 776 HOH H O 1 HETATM 3656 O O . HOH M 9 . ? 46.050 -5.489 11.654 1.00 52.94 ? 777 HOH H O 1 HETATM 3657 O O . HOH M 9 . ? 52.136 -16.849 -20.764 1.00 52.39 ? 778 HOH H O 1 HETATM 3658 O O . HOH M 9 . ? 41.048 -16.317 29.835 1.00 33.23 ? 779 HOH H O 1 HETATM 3659 O O . HOH M 9 . ? 33.283 -17.325 22.052 1.00 59.52 ? 780 HOH H O 1 HETATM 3660 O O . HOH M 9 . ? 49.629 2.410 16.725 1.00 45.31 ? 781 HOH H O 1 HETATM 3661 O O . HOH M 9 . ? 39.864 -18.881 19.915 1.00 45.81 ? 782 HOH H O 1 HETATM 3662 O O . HOH M 9 . ? 62.754 -13.879 -18.622 1.00 55.81 ? 783 HOH H O 1 HETATM 3663 O O . HOH M 9 . ? 43.504 6.897 13.859 1.00 46.41 ? 784 HOH H O 1 HETATM 3664 O O . HOH M 9 . ? 40.103 -11.994 -8.806 1.00 55.42 ? 785 HOH H O 1 HETATM 3665 O O . HOH M 9 . ? 61.357 3.700 -6.762 1.00 41.22 ? 786 HOH H O 1 HETATM 3666 O O . HOH M 9 . ? 44.512 -2.384 5.358 1.00 43.62 ? 787 HOH H O 1 HETATM 3667 O O . HOH M 9 . ? 45.621 -6.157 -12.918 1.00 40.29 ? 788 HOH H O 1 HETATM 3668 O O . HOH M 9 . ? 58.121 1.820 20.924 1.00 57.66 ? 789 HOH H O 1 HETATM 3669 O O . HOH M 9 . ? 36.688 -4.991 5.239 1.00 60.09 ? 790 HOH H O 1 HETATM 3670 O O . HOH M 9 . ? 63.694 -8.611 22.848 1.00 48.45 ? 791 HOH H O 1 HETATM 3671 O O . HOH M 9 . ? 65.419 -11.963 3.892 1.00 62.94 ? 792 HOH H O 1 HETATM 3672 O O . HOH M 9 . ? 65.985 -13.130 -14.440 1.00 48.29 ? 793 HOH H O 1 HETATM 3673 O O . HOH M 9 . ? 59.517 5.631 -9.107 1.00 44.25 ? 794 HOH H O 1 HETATM 3674 O O . HOH M 9 . ? 58.210 -21.397 10.084 1.00 50.27 ? 795 HOH H O 1 HETATM 3675 O O . HOH M 9 . ? 54.563 -9.578 19.204 1.00 43.95 ? 796 HOH H O 1 HETATM 3676 O O . HOH M 9 . ? 50.606 -1.898 -11.669 1.00 39.71 ? 797 HOH H O 1 HETATM 3677 O O . HOH M 9 . ? 58.944 1.185 -17.047 1.00 55.84 ? 798 HOH H O 1 HETATM 3678 O O . HOH M 9 . ? 56.100 -23.224 10.824 1.00 60.97 ? 799 HOH H O 1 HETATM 3679 O O . HOH M 9 . ? 38.691 -19.731 22.129 1.00 49.69 ? 800 HOH H O 1 HETATM 3680 O O . HOH M 9 . ? 61.436 -6.847 44.075 1.00 60.39 ? 801 HOH H O 1 HETATM 3681 O O . HOH M 9 . ? 46.928 -14.536 -16.014 1.00 44.15 ? 802 HOH H O 1 HETATM 3682 O O . HOH M 9 . ? 41.432 1.436 -1.033 1.00 47.66 ? 803 HOH H O 1 HETATM 3683 O O . HOH M 9 . ? 57.629 -24.288 6.172 1.00 56.54 ? 804 HOH H O 1 HETATM 3684 O O . HOH M 9 . ? 40.669 -14.092 27.453 1.00 49.92 ? 805 HOH H O 1 HETATM 3685 O O . HOH M 9 . ? 49.627 3.047 -12.048 1.00 42.55 ? 806 HOH H O 1 HETATM 3686 O O . HOH M 9 . ? 40.736 -13.148 -11.166 1.00 56.68 ? 807 HOH H O 1 HETATM 3687 O O . HOH M 9 . ? 48.189 0.196 4.378 1.00 40.90 ? 808 HOH H O 1 HETATM 3688 O O . HOH M 9 . ? 43.828 -13.290 -13.717 1.00 48.36 ? 809 HOH H O 1 HETATM 3689 O O . HOH M 9 . ? 69.818 -10.440 -2.431 1.00 56.85 ? 810 HOH H O 1 HETATM 3690 O O . HOH M 9 . ? 65.540 -22.799 -14.586 1.00 62.34 ? 811 HOH H O 1 HETATM 3691 O O . HOH M 9 . ? 39.224 -10.685 27.186 1.00 47.30 ? 812 HOH H O 1 HETATM 3692 O O . HOH M 9 . ? 44.881 -16.054 12.815 1.00 48.40 ? 813 HOH H O 1 HETATM 3693 O O . HOH M 9 . ? 56.961 -0.215 17.981 1.00 68.91 ? 814 HOH H O 1 HETATM 3694 O O . HOH M 9 . ? 45.673 -0.219 -1.811 1.00 39.58 ? 815 HOH H O 1 HETATM 3695 O O . HOH M 9 . ? 39.054 -7.456 -11.795 1.00 64.61 ? 816 HOH H O 1 HETATM 3696 O O . HOH M 9 . ? 54.492 -6.222 13.184 1.00 43.43 ? 817 HOH H O 1 HETATM 3697 O O . HOH M 9 . ? 59.712 -9.271 20.454 1.00 49.14 ? 818 HOH H O 1 HETATM 3698 O O . HOH M 9 . ? 58.729 -8.077 10.282 1.00 45.44 ? 819 HOH H O 1 HETATM 3699 O O . HOH M 9 . ? 34.867 -8.645 20.081 1.00 51.61 ? 820 HOH H O 1 HETATM 3700 O O . HOH M 9 . ? 48.162 -24.681 3.199 1.00 55.18 ? 821 HOH H O 1 HETATM 3701 O O . HOH M 9 . ? 48.408 4.216 15.250 1.00 49.78 ? 822 HOH H O 1 HETATM 3702 O O . HOH M 9 . ? 53.916 -9.589 15.578 1.00 60.78 ? 823 HOH H O 1 HETATM 3703 O O . HOH M 9 . ? 56.391 -11.621 10.914 1.00 49.12 ? 824 HOH H O 1 HETATM 3704 O O . HOH M 9 . ? 49.342 -7.022 -15.514 1.00 39.74 ? 825 HOH H O 1 HETATM 3705 O O . HOH M 9 . ? 69.833 -14.979 1.499 1.00 47.87 ? 826 HOH H O 1 HETATM 3706 O O . HOH M 9 . ? 62.037 -6.696 22.963 1.00 44.19 ? 827 HOH H O 1 HETATM 3707 O O . HOH M 9 . ? 41.055 -14.664 13.596 1.00 53.92 ? 828 HOH H O 1 HETATM 3708 O O . HOH M 9 . ? 46.100 -10.135 -15.100 1.00 37.56 ? 829 HOH H O 1 HETATM 3709 O O . HOH M 9 . ? 53.213 -14.635 17.022 1.00 47.08 ? 830 HOH H O 1 HETATM 3710 O O . HOH M 9 . ? 43.331 9.463 14.961 1.00 46.55 ? 831 HOH H O 1 HETATM 3711 O O . HOH M 9 . ? 38.508 -9.802 31.760 1.00 41.78 ? 832 HOH H O 1 HETATM 3712 O O . HOH M 9 . ? 62.040 -6.020 20.176 1.00 50.85 ? 833 HOH H O 1 HETATM 3713 O O . HOH M 9 . ? 65.187 -8.582 20.454 1.00 56.27 ? 834 HOH H O 1 HETATM 3714 O O . HOH M 9 . ? 52.812 -10.144 12.565 1.00 58.33 ? 835 HOH H O 1 HETATM 3715 O O . HOH M 9 . ? 37.853 -13.797 30.599 1.00 53.41 ? 836 HOH H O 1 HETATM 3716 O O . HOH M 9 . ? 38.146 -8.212 27.455 1.00 50.12 ? 837 HOH H O 1 HETATM 3717 O O . HOH M 9 . ? 46.886 -10.157 -17.769 1.00 45.88 ? 838 HOH H O 1 HETATM 3718 O O . HOH M 9 . ? 59.902 -3.543 17.648 1.00 50.54 ? 839 HOH H O 1 HETATM 3719 O O . HOH M 9 . ? 41.837 -11.295 -14.238 1.00 55.79 ? 840 HOH H O 1 HETATM 3720 O O . HOH N 9 . ? 40.544 -6.228 44.515 1.00 51.26 ? 301 HOH L O 1 HETATM 3721 O O . HOH N 9 . ? 35.609 -15.205 37.691 1.00 47.54 ? 302 HOH L O 1 HETATM 3722 O O . HOH N 9 . ? 39.929 -8.808 51.135 1.00 59.73 ? 303 HOH L O 1 HETATM 3723 O O . HOH N 9 . ? 52.294 -35.433 -9.413 1.00 53.65 ? 304 HOH L O 1 HETATM 3724 O O . HOH N 9 . ? 78.702 -35.215 8.720 1.00 52.22 ? 305 HOH L O 1 HETATM 3725 O O . HOH N 9 . ? 73.747 -29.256 21.695 1.00 42.33 ? 306 HOH L O 1 HETATM 3726 O O . HOH N 9 . ? 66.261 -33.185 24.830 1.00 48.97 ? 307 HOH L O 1 HETATM 3727 O O . HOH N 9 . ? 77.792 -25.025 -7.237 1.00 45.56 ? 308 HOH L O 1 HETATM 3728 O O . HOH N 9 . ? 67.250 -39.645 -7.874 1.00 59.07 ? 309 HOH L O 1 HETATM 3729 O O . HOH N 9 . ? 69.262 -32.271 28.409 1.00 47.49 ? 310 HOH L O 1 HETATM 3730 O O . HOH N 9 . ? 53.661 -28.276 7.063 1.00 50.53 ? 311 HOH L O 1 HETATM 3731 O O . HOH N 9 . ? 58.455 -22.025 7.421 1.00 41.46 ? 312 HOH L O 1 HETATM 3732 O O . HOH N 9 . ? 62.426 -19.026 24.181 1.00 36.65 ? 313 HOH L O 1 HETATM 3733 O O . HOH N 9 . ? 45.474 -28.187 36.345 1.00 44.29 ? 314 HOH L O 1 HETATM 3734 O O . HOH N 9 . ? 59.939 -32.093 31.757 1.00 42.06 ? 315 HOH L O 1 HETATM 3735 O O . HOH N 9 . ? 68.083 -19.808 14.653 1.00 42.71 ? 316 HOH L O 1 HETATM 3736 O O . HOH N 9 . ? 60.874 -25.409 -15.782 1.00 64.59 ? 317 HOH L O 1 HETATM 3737 O O . HOH N 9 . ? 59.076 -31.224 38.952 1.00 54.69 ? 318 HOH L O 1 HETATM 3738 O O . HOH N 9 . ? 48.451 -9.480 36.579 1.00 34.89 ? 319 HOH L O 1 HETATM 3739 O O . HOH N 9 . ? 52.002 -12.962 49.796 1.00 35.93 ? 320 HOH L O 1 HETATM 3740 O O . HOH N 9 . ? 45.789 0.162 32.198 1.00 56.91 ? 321 HOH L O 1 HETATM 3741 O O . HOH N 9 . ? 57.824 -23.508 21.355 1.00 50.57 ? 322 HOH L O 1 HETATM 3742 O O . HOH N 9 . ? 61.742 -28.096 42.816 1.00 54.78 ? 323 HOH L O 1 HETATM 3743 O O . HOH N 9 . ? 45.406 -8.030 45.060 1.00 40.88 ? 324 HOH L O 1 HETATM 3744 O O . HOH N 9 . ? 71.336 -32.048 31.332 1.00 55.68 ? 325 HOH L O 1 HETATM 3745 O O . HOH N 9 . ? 66.746 -37.377 9.390 1.00 48.21 ? 326 HOH L O 1 HETATM 3746 O O . HOH N 9 . ? 66.951 -27.239 -14.446 1.00 47.40 ? 327 HOH L O 1 HETATM 3747 O O . HOH N 9 . ? 66.449 -40.005 1.746 1.00 52.48 ? 328 HOH L O 1 HETATM 3748 O O . HOH N 9 . ? 59.934 -37.800 2.091 1.00 36.81 ? 329 HOH L O 1 HETATM 3749 O O . HOH N 9 . ? 57.462 -34.631 -14.432 1.00 55.68 ? 330 HOH L O 1 HETATM 3750 O O . HOH N 9 . ? 46.454 -7.539 47.340 1.00 42.55 ? 331 HOH L O 1 HETATM 3751 O O . HOH N 9 . ? 60.377 -15.809 35.822 1.00 33.91 ? 332 HOH L O 1 HETATM 3752 O O . HOH N 9 . ? 65.757 -20.762 34.422 1.00 39.97 ? 333 HOH L O 1 HETATM 3753 O O . HOH N 9 . ? 75.497 -29.044 -2.178 1.00 40.65 ? 334 HOH L O 1 HETATM 3754 O O . HOH N 9 . ? 72.137 -21.063 10.062 1.00 34.99 ? 335 HOH L O 1 HETATM 3755 O O . HOH N 9 . ? 55.099 -36.609 -3.017 1.00 47.76 ? 336 HOH L O 1 HETATM 3756 O O . HOH N 9 . ? 46.417 -6.416 43.115 1.00 32.64 ? 337 HOH L O 1 HETATM 3757 O O . HOH N 9 . ? 67.591 -32.903 35.128 1.00 51.89 ? 338 HOH L O 1 HETATM 3758 O O . HOH N 9 . ? 37.720 -21.753 41.397 1.00 62.45 ? 339 HOH L O 1 HETATM 3759 O O . HOH N 9 . ? 51.698 -29.430 40.820 1.00 59.13 ? 340 HOH L O 1 HETATM 3760 O O . HOH N 9 . ? 62.792 -37.133 13.875 1.00 54.86 ? 341 HOH L O 1 HETATM 3761 O O . HOH N 9 . ? 60.729 -32.450 48.170 1.00 51.22 ? 342 HOH L O 1 HETATM 3762 O O . HOH N 9 . ? 65.351 -13.940 1.917 1.00 31.61 ? 343 HOH L O 1 HETATM 3763 O O . HOH N 9 . ? 58.653 -33.619 23.644 1.00 38.67 ? 344 HOH L O 1 HETATM 3764 O O . HOH N 9 . ? 54.910 -16.697 48.750 1.00 45.77 ? 345 HOH L O 1 HETATM 3765 O O . HOH N 9 . ? 75.825 -32.112 -3.777 1.00 40.50 ? 346 HOH L O 1 HETATM 3766 O O . HOH N 9 . ? 72.123 -34.256 1.036 1.00 42.51 ? 347 HOH L O 1 HETATM 3767 O O . HOH N 9 . ? 58.979 -17.294 20.322 1.00 39.56 ? 348 HOH L O 1 HETATM 3768 O O . HOH N 9 . ? 65.299 -17.081 8.287 1.00 33.07 ? 349 HOH L O 1 HETATM 3769 O O . HOH N 9 . ? 49.977 -22.668 -12.459 1.00 52.64 ? 350 HOH L O 1 HETATM 3770 O O . HOH N 9 . ? 70.120 -37.538 -2.078 1.00 45.30 ? 351 HOH L O 1 HETATM 3771 O O . HOH N 9 . ? 63.778 -11.872 7.904 1.00 51.76 ? 352 HOH L O 1 HETATM 3772 O O . HOH N 9 . ? 57.431 -28.667 46.073 1.00 42.64 ? 353 HOH L O 1 HETATM 3773 O O . HOH N 9 . ? 68.385 -21.707 31.962 1.00 47.79 ? 354 HOH L O 1 HETATM 3774 O O . HOH N 9 . ? 43.579 -24.716 32.122 1.00 49.33 ? 355 HOH L O 1 HETATM 3775 O O . HOH N 9 . ? 41.303 -20.477 28.753 1.00 48.33 ? 356 HOH L O 1 HETATM 3776 O O . HOH N 9 . ? 75.602 -36.986 13.546 1.00 45.73 ? 357 HOH L O 1 HETATM 3777 O O . HOH N 9 . ? 47.965 -28.600 34.659 1.00 39.66 ? 358 HOH L O 1 HETATM 3778 O O . HOH N 9 . ? 73.794 -16.434 1.806 1.00 49.93 ? 359 HOH L O 1 HETATM 3779 O O . HOH N 9 . ? 65.641 -15.993 14.846 1.00 47.10 ? 360 HOH L O 1 HETATM 3780 O O . HOH N 9 . ? 45.583 -25.426 36.545 1.00 30.30 ? 361 HOH L O 1 HETATM 3781 O O . HOH N 9 . ? 60.352 -41.120 -4.860 1.00 64.48 ? 362 HOH L O 1 HETATM 3782 O O . HOH N 9 . ? 50.149 -9.480 48.463 1.00 53.94 ? 363 HOH L O 1 HETATM 3783 O O . HOH N 9 . ? 78.444 -20.586 -0.790 1.00 54.12 ? 364 HOH L O 1 HETATM 3784 O O . HOH N 9 . ? 53.074 -28.261 -9.677 1.00 41.34 ? 365 HOH L O 1 HETATM 3785 O O . HOH N 9 . ? 38.616 -5.748 32.813 1.00 54.34 ? 366 HOH L O 1 HETATM 3786 O O . HOH N 9 . ? 49.676 -16.197 29.299 1.00 32.65 ? 367 HOH L O 1 HETATM 3787 O O . HOH N 9 . ? 58.460 -22.585 25.108 1.00 37.33 ? 368 HOH L O 1 HETATM 3788 O O . HOH N 9 . ? 72.322 -29.555 -10.428 1.00 31.66 ? 369 HOH L O 1 HETATM 3789 O O . HOH N 9 . ? 40.551 -17.184 51.471 1.00 47.74 ? 370 HOH L O 1 HETATM 3790 O O . HOH N 9 . ? 65.946 -37.910 5.890 1.00 41.30 ? 371 HOH L O 1 HETATM 3791 O O . HOH N 9 . ? 34.218 -10.314 46.053 1.00 42.63 ? 372 HOH L O 1 HETATM 3792 O O . HOH N 9 . ? 53.958 -30.216 -1.910 1.00 49.72 ? 373 HOH L O 1 HETATM 3793 O O . HOH N 9 . ? 60.558 -20.593 11.636 1.00 46.56 ? 374 HOH L O 1 HETATM 3794 O O . HOH N 9 . ? 55.794 -32.413 2.729 1.00 36.24 ? 375 HOH L O 1 HETATM 3795 O O . HOH N 9 . ? 71.680 -18.897 6.976 1.00 41.56 ? 376 HOH L O 1 HETATM 3796 O O . HOH N 9 . ? 67.971 -17.579 7.925 1.00 50.00 ? 377 HOH L O 1 HETATM 3797 O O . HOH N 9 . ? 76.453 -30.985 4.302 1.00 35.28 ? 378 HOH L O 1 HETATM 3798 O O . HOH N 9 . ? 33.514 -19.777 39.458 1.00 72.04 ? 379 HOH L O 1 HETATM 3799 O O . HOH N 9 . ? 68.265 -31.548 -3.159 1.00 26.29 ? 380 HOH L O 1 HETATM 3800 O O . HOH N 9 . ? 55.610 -35.535 5.444 1.00 48.86 ? 381 HOH L O 1 HETATM 3801 O O . HOH N 9 . ? 63.624 -29.780 22.292 1.00 57.00 ? 382 HOH L O 1 HETATM 3802 O O . HOH N 9 . ? 79.825 -24.414 -3.230 1.00 56.58 ? 383 HOH L O 1 HETATM 3803 O O . HOH N 9 . ? 46.814 -7.280 35.627 1.00 31.37 ? 384 HOH L O 1 HETATM 3804 O O . HOH N 9 . ? 59.131 -24.419 45.138 1.00 42.29 ? 385 HOH L O 1 HETATM 3805 O O . HOH N 9 . ? 53.402 -31.843 0.820 1.00 53.86 ? 386 HOH L O 1 HETATM 3806 O O . HOH N 9 . ? 43.627 -15.746 30.960 1.00 28.38 ? 387 HOH L O 1 HETATM 3807 O O . HOH N 9 . ? 40.442 -7.700 32.269 1.00 41.34 ? 388 HOH L O 1 HETATM 3808 O O . HOH N 9 . ? 64.282 -36.155 39.741 1.00 54.76 ? 389 HOH L O 1 HETATM 3809 O O . HOH N 9 . ? 61.764 -31.477 20.792 1.00 44.65 ? 390 HOH L O 1 HETATM 3810 O O . HOH N 9 . ? 62.756 -35.978 37.692 1.00 53.45 ? 391 HOH L O 1 HETATM 3811 O O . HOH N 9 . ? 56.911 -29.617 10.893 1.00 52.32 ? 392 HOH L O 1 HETATM 3812 O O . HOH N 9 . ? 53.309 -26.506 28.901 1.00 50.72 ? 393 HOH L O 1 HETATM 3813 O O . HOH N 9 . ? 63.785 -19.133 26.580 1.00 33.12 ? 394 HOH L O 1 HETATM 3814 O O . HOH N 9 . ? 53.245 -27.870 1.187 1.00 59.45 ? 395 HOH L O 1 HETATM 3815 O O . HOH N 9 . ? 41.491 0.820 34.376 1.00 64.56 ? 396 HOH L O 1 HETATM 3816 O O . HOH N 9 . ? 33.814 -8.498 39.307 1.00 40.95 ? 397 HOH L O 1 HETATM 3817 O O . HOH N 9 . ? 60.765 -33.986 29.438 1.00 52.37 ? 398 HOH L O 1 HETATM 3818 O O . HOH N 9 . ? 62.169 -27.918 38.205 1.00 39.29 ? 399 HOH L O 1 HETATM 3819 O O . HOH N 9 . ? 54.864 -11.401 43.427 1.00 35.17 ? 400 HOH L O 1 HETATM 3820 O O . HOH N 9 . ? 42.022 -0.977 41.633 1.00 45.55 ? 401 HOH L O 1 HETATM 3821 O O . HOH N 9 . ? 53.004 -34.741 1.056 1.00 51.88 ? 402 HOH L O 1 HETATM 3822 O O . HOH N 9 . ? 39.205 -20.990 29.937 1.00 42.51 ? 403 HOH L O 1 HETATM 3823 O O . HOH N 9 . ? 50.898 -29.817 -4.741 1.00 51.05 ? 404 HOH L O 1 HETATM 3824 O O . HOH N 9 . ? 50.506 -27.160 31.828 1.00 38.63 ? 405 HOH L O 1 HETATM 3825 O O . HOH N 9 . ? 62.483 -30.516 24.620 1.00 44.73 ? 406 HOH L O 1 HETATM 3826 O O . HOH N 9 . ? 73.168 -32.141 -9.365 1.00 54.94 ? 407 HOH L O 1 HETATM 3827 O O . HOH N 9 . ? 66.425 -24.403 -8.059 1.00 36.53 ? 408 HOH L O 1 HETATM 3828 O O . HOH N 9 . ? 63.380 -38.833 5.958 1.00 45.44 ? 409 HOH L O 1 HETATM 3829 O O . HOH N 9 . ? 59.655 -17.202 10.891 1.00 50.31 ? 410 HOH L O 1 HETATM 3830 O O . HOH N 9 . ? 56.993 -27.468 9.055 1.00 44.25 ? 411 HOH L O 1 HETATM 3831 O O . HOH N 9 . ? 77.720 -25.614 -4.305 1.00 39.36 ? 412 HOH L O 1 HETATM 3832 O O . HOH N 9 . ? 78.391 -27.168 16.305 1.00 56.33 ? 413 HOH L O 1 HETATM 3833 O O . HOH N 9 . ? 71.138 -17.229 1.935 1.00 52.96 ? 414 HOH L O 1 HETATM 3834 O O . HOH N 9 . ? 63.845 -24.595 -10.997 1.00 49.03 ? 415 HOH L O 1 HETATM 3835 O O . HOH N 9 . ? 59.861 -15.394 41.842 1.00 49.00 ? 416 HOH L O 1 HETATM 3836 O O . HOH N 9 . ? 61.363 -13.277 40.116 1.00 47.96 ? 417 HOH L O 1 HETATM 3837 O O . HOH N 9 . ? 56.810 -31.921 6.019 1.00 36.80 ? 418 HOH L O 1 HETATM 3838 O O . HOH N 9 . ? 57.324 -12.004 40.975 1.00 42.45 ? 419 HOH L O 1 HETATM 3839 O O . HOH N 9 . ? 37.425 -10.987 33.924 1.00 39.00 ? 420 HOH L O 1 HETATM 3840 O O . HOH N 9 . ? 75.549 -21.309 16.762 1.00 67.46 ? 421 HOH L O 1 HETATM 3841 O O . HOH N 9 . ? 61.332 -33.405 -17.833 1.00 52.77 ? 422 HOH L O 1 HETATM 3842 O O . HOH N 9 . ? 49.296 -2.551 39.993 1.00 40.86 ? 423 HOH L O 1 HETATM 3843 O O . HOH N 9 . ? 48.167 -25.071 32.465 1.00 34.34 ? 424 HOH L O 1 HETATM 3844 O O . HOH N 9 . ? 39.584 -27.480 38.510 1.00 50.63 ? 425 HOH L O 1 HETATM 3845 O O . HOH N 9 . ? 74.303 -33.720 0.316 1.00 45.90 ? 426 HOH L O 1 HETATM 3846 O O . HOH N 9 . ? 62.087 -20.371 40.143 1.00 41.84 ? 427 HOH L O 1 HETATM 3847 O O . HOH N 9 . ? 38.332 -25.030 36.783 1.00 36.58 ? 428 HOH L O 1 HETATM 3848 O O . HOH N 9 . ? 57.640 -38.759 -13.321 1.00 53.79 ? 429 HOH L O 1 HETATM 3849 O O . HOH N 9 . ? 38.871 -27.834 42.102 1.00 44.38 ? 430 HOH L O 1 HETATM 3850 O O . HOH N 9 . ? 79.698 -24.212 7.917 1.00 47.31 ? 431 HOH L O 1 HETATM 3851 O O . HOH N 9 . ? 60.864 -23.780 18.546 1.00 44.09 ? 432 HOH L O 1 HETATM 3852 O O . HOH N 9 . ? 72.213 -21.630 29.792 1.00 65.83 ? 433 HOH L O 1 HETATM 3853 O O . HOH N 9 . ? 62.993 -25.000 -14.279 1.00 56.35 ? 434 HOH L O 1 HETATM 3854 O O . HOH N 9 . ? 49.765 -20.992 22.995 1.00 51.30 ? 435 HOH L O 1 HETATM 3855 O O . HOH N 9 . ? 65.646 -13.537 6.183 1.00 46.79 ? 436 HOH L O 1 HETATM 3856 O O . HOH N 9 . ? 69.049 -36.874 10.291 1.00 44.00 ? 437 HOH L O 1 HETATM 3857 O O . HOH N 9 . ? 46.548 -21.415 46.767 1.00 28.91 ? 438 HOH L O 1 HETATM 3858 O O . HOH N 9 . ? 64.540 -40.292 -9.003 1.00 62.59 ? 439 HOH L O 1 HETATM 3859 O O . HOH N 9 . ? 56.406 -17.913 46.419 1.00 47.08 ? 440 HOH L O 1 HETATM 3860 O O . HOH N 9 . ? 52.536 -29.798 45.212 1.00 51.73 ? 441 HOH L O 1 HETATM 3861 O O . HOH N 9 . ? 68.821 -26.071 36.472 1.00 52.84 ? 442 HOH L O 1 HETATM 3862 O O . HOH N 9 . ? 33.417 -8.149 36.368 1.00 62.48 ? 443 HOH L O 1 HETATM 3863 O O . HOH N 9 . ? 73.048 -13.145 -5.536 1.00 63.88 ? 444 HOH L O 1 HETATM 3864 O O . HOH N 9 . ? 76.743 -24.375 18.198 1.00 53.87 ? 445 HOH L O 1 HETATM 3865 O O . HOH N 9 . ? 73.994 -27.021 27.377 1.00 52.91 ? 446 HOH L O 1 HETATM 3866 O O . HOH N 9 . ? 52.373 -28.807 38.226 1.00 49.22 ? 447 HOH L O 1 HETATM 3867 O O . HOH N 9 . ? 64.824 -36.386 15.826 1.00 49.29 ? 448 HOH L O 1 HETATM 3868 O O . HOH N 9 . ? 61.894 -33.089 24.969 1.00 46.03 ? 449 HOH L O 1 HETATM 3869 O O . HOH N 9 . ? 50.357 -11.525 58.585 1.00 55.18 ? 450 HOH L O 1 HETATM 3870 O O . HOH N 9 . ? 78.805 -30.294 4.249 1.00 54.21 ? 451 HOH L O 1 HETATM 3871 O O . HOH N 9 . ? 63.828 -24.997 -8.118 1.00 44.35 ? 452 HOH L O 1 HETATM 3872 O O . HOH N 9 . ? 77.710 -19.837 9.640 1.00 53.90 ? 453 HOH L O 1 HETATM 3873 O O . HOH N 9 . ? 68.027 -38.234 -2.753 1.00 49.42 ? 454 HOH L O 1 HETATM 3874 O O . HOH N 9 . ? 62.715 -14.795 34.527 1.00 41.27 ? 455 HOH L O 1 HETATM 3875 O O . HOH N 9 . ? 31.478 -12.313 39.155 1.00 58.99 ? 456 HOH L O 1 HETATM 3876 O O . HOH N 9 . ? 77.382 -22.541 -6.369 1.00 65.00 ? 457 HOH L O 1 HETATM 3877 O O . HOH N 9 . ? 39.216 -23.614 48.277 1.00 60.30 ? 458 HOH L O 1 HETATM 3878 O O . HOH N 9 . ? 55.167 -24.297 -15.739 1.00 48.06 ? 459 HOH L O 1 HETATM 3879 O O . HOH N 9 . ? 51.874 -19.956 22.215 1.00 34.54 ? 460 HOH L O 1 HETATM 3880 O O . HOH N 9 . ? 57.726 -37.317 9.616 1.00 52.93 ? 461 HOH L O 1 HETATM 3881 O O . HOH N 9 . ? 59.891 -29.106 38.917 1.00 56.51 ? 462 HOH L O 1 HETATM 3882 O O . HOH N 9 . ? 57.663 -23.556 -16.124 1.00 50.60 ? 463 HOH L O 1 HETATM 3883 O O . HOH N 9 . ? 51.490 -17.113 49.751 1.00 47.67 ? 464 HOH L O 1 HETATM 3884 O O . HOH N 9 . ? 35.466 -9.282 34.288 1.00 49.68 ? 465 HOH L O 1 HETATM 3885 O O . HOH N 9 . ? 65.117 -33.058 42.729 1.00 49.28 ? 466 HOH L O 1 HETATM 3886 O O . HOH N 9 . ? 42.601 -7.368 45.868 1.00 52.45 ? 467 HOH L O 1 HETATM 3887 O O . HOH N 9 . ? 38.763 -15.902 31.676 1.00 54.94 ? 468 HOH L O 1 HETATM 3888 O O . HOH N 9 . ? 48.402 -17.986 52.098 1.00 52.31 ? 469 HOH L O 1 HETATM 3889 O O . HOH N 9 . ? 45.095 -28.158 32.598 1.00 46.10 ? 470 HOH L O 1 HETATM 3890 O O . HOH N 9 . ? 60.926 -10.329 9.857 1.00 58.33 ? 471 HOH L O 1 HETATM 3891 O O . HOH N 9 . ? 62.818 -9.928 6.810 1.00 57.33 ? 472 HOH L O 1 HETATM 3892 O O . HOH N 9 . ? 35.225 -21.712 37.385 1.00 56.13 ? 473 HOH L O 1 HETATM 3893 O O . HOH N 9 . ? 54.322 -13.390 48.282 1.00 47.62 ? 474 HOH L O 1 HETATM 3894 O O . HOH N 9 . ? 65.180 -16.005 34.028 1.00 62.15 ? 475 HOH L O 1 HETATM 3895 O O . HOH N 9 . ? 62.737 -16.902 22.489 1.00 52.73 ? 476 HOH L O 1 HETATM 3896 O O . HOH N 9 . ? 71.144 -38.168 -4.074 1.00 40.81 ? 477 HOH L O 1 HETATM 3897 O O . HOH N 9 . ? 68.164 -34.268 -13.335 1.00 53.38 ? 478 HOH L O 1 HETATM 3898 O O . HOH N 9 . ? 59.554 -29.795 48.005 1.00 49.85 ? 479 HOH L O 1 HETATM 3899 O O . HOH N 9 . ? 36.135 -15.712 34.880 1.00 51.62 ? 480 HOH L O 1 HETATM 3900 O O . HOH N 9 . ? 78.009 -28.836 -2.693 1.00 59.88 ? 481 HOH L O 1 HETATM 3901 O O . HOH N 9 . ? 74.072 -19.801 8.156 1.00 52.51 ? 482 HOH L O 1 HETATM 3902 O O . HOH N 9 . ? 48.697 -8.402 46.465 1.00 50.94 ? 483 HOH L O 1 HETATM 3903 O O . HOH N 9 . ? 33.610 -21.805 40.997 1.00 48.79 ? 484 HOH L O 1 HETATM 3904 O O . HOH N 9 . ? 54.428 -31.925 6.602 1.00 63.65 ? 485 HOH L O 1 HETATM 3905 O O . HOH N 9 . ? 62.372 -39.745 8.583 1.00 59.80 ? 486 HOH L O 1 HETATM 3906 O O . HOH N 9 . ? 63.977 -27.154 40.376 1.00 47.64 ? 487 HOH L O 1 HETATM 3907 O O . HOH N 9 . ? 68.337 -19.985 34.313 1.00 51.35 ? 488 HOH L O 1 HETATM 3908 O O . HOH N 9 . ? 59.989 -36.091 37.694 1.00 54.59 ? 489 HOH L O 1 HETATM 3909 O O . HOH N 9 . ? 45.665 -25.236 33.759 1.00 46.31 ? 490 HOH L O 1 HETATM 3910 O O . HOH N 9 . ? 67.308 -27.279 -18.640 1.00 53.48 ? 491 HOH L O 1 HETATM 3911 O O . HOH N 9 . ? 36.260 -13.394 33.303 1.00 50.25 ? 492 HOH L O 1 HETATM 3912 O O . HOH N 9 . ? 59.759 -39.281 9.093 1.00 58.62 ? 493 HOH L O 1 HETATM 3913 O O . HOH N 9 . ? 65.019 -36.372 24.049 1.00 56.38 ? 494 HOH L O 1 HETATM 3914 O O . HOH N 9 . ? 67.842 -40.019 6.318 1.00 59.91 ? 495 HOH L O 1 HETATM 3915 O O . HOH N 9 . ? 52.542 -37.569 -3.665 1.00 54.72 ? 496 HOH L O 1 HETATM 3916 O O . HOH N 9 . ? 45.426 -3.645 43.943 1.00 40.86 ? 497 HOH L O 1 HETATM 3917 O O . HOH N 9 . ? 43.368 -2.171 43.574 1.00 56.52 ? 498 HOH L O 1 HETATM 3918 O O . HOH N 9 . ? 71.719 -17.447 4.546 1.00 51.37 ? 499 HOH L O 1 HETATM 3919 O O . HOH N 9 . ? 54.683 -28.964 46.866 1.00 48.46 ? 500 HOH L O 1 HETATM 3920 O O . HOH N 9 . ? 51.695 -29.939 2.241 1.00 58.00 ? 501 HOH L O 1 HETATM 3921 O O . HOH N 9 . ? 76.448 -24.932 21.134 1.00 62.24 ? 502 HOH L O 1 HETATM 3922 O O . HOH N 9 . ? 54.971 -38.511 4.898 1.00 59.63 ? 503 HOH L O 1 HETATM 3923 O O . HOH N 9 . ? 56.255 -40.450 3.742 1.00 62.23 ? 504 HOH L O 1 # loop_ _atom_site_anisotrop.id _atom_site_anisotrop.type_symbol _atom_site_anisotrop.pdbx_label_atom_id _atom_site_anisotrop.pdbx_label_alt_id _atom_site_anisotrop.pdbx_label_comp_id _atom_site_anisotrop.pdbx_label_asym_id _atom_site_anisotrop.pdbx_label_seq_id _atom_site_anisotrop.pdbx_PDB_ins_code _atom_site_anisotrop.U[1][1] _atom_site_anisotrop.U[2][2] _atom_site_anisotrop.U[3][3] _atom_site_anisotrop.U[1][2] _atom_site_anisotrop.U[1][3] _atom_site_anisotrop.U[2][3] _atom_site_anisotrop.pdbx_auth_seq_id _atom_site_anisotrop.pdbx_auth_comp_id _atom_site_anisotrop.pdbx_auth_asym_id _atom_site_anisotrop.pdbx_auth_atom_id 1 N N . ASN A 1 ? 0.9698 0.8365 0.9778 -0.0819 0.1823 0.0036 15 ASN H N 2 C CA . ASN A 1 ? 0.7727 0.7010 0.8048 -0.0748 0.1586 0.0143 15 ASN H CA 3 C C . ASN A 1 ? 0.5482 0.4295 0.5475 -0.0552 0.1452 0.0165 15 ASN H C 4 O O . ASN A 1 ? 0.6154 0.4610 0.5802 -0.0633 0.1400 0.0003 15 ASN H O 5 C CB . ASN A 1 ? 0.8324 0.8111 0.8683 -0.1052 0.1505 -0.0008 15 ASN H CB 6 C CG . ASN A 1 ? 0.8828 0.9510 0.9564 -0.1055 0.1289 0.0151 15 ASN H CG 7 O OD1 . ASN A 1 ? 0.8814 0.9512 0.9530 -0.0862 0.1136 0.0279 15 ASN H OD1 8 N ND2 . ASN A 1 ? 0.8943 1.0404 1.0019 -0.1292 0.1270 0.0159 15 ASN H ND2 9 N N . VAL A 2 ? 0.4873 0.3702 0.5006 -0.0300 0.1412 0.0362 16 VAL H N 10 C CA . VAL A 2 ? 0.5234 0.3505 0.5023 -0.0120 0.1344 0.0379 16 VAL H CA 11 C C . VAL A 2 ? 0.5587 0.4092 0.5303 -0.0134 0.1129 0.0338 16 VAL H C 12 O O . VAL A 2 ? 0.5260 0.4435 0.5267 -0.0167 0.1003 0.0431 16 VAL H O 13 C CB . VAL A 2 ? 0.5293 0.3495 0.5238 0.0110 0.1407 0.0577 16 VAL H CB 14 C CG1 . VAL A 2 ? 0.5304 0.3027 0.4896 0.0254 0.1317 0.0589 16 VAL H CG1 15 C CG2 . VAL A 2 ? 0.5966 0.3843 0.5926 0.0099 0.1669 0.0567 16 VAL H CG2 16 N N . ASN A 3 ? 0.5146 0.3114 0.4480 -0.0114 0.1088 0.0207 17 ASN H N 17 C CA . ASN A 3 ? 0.4913 0.3034 0.4172 -0.0124 0.0925 0.0130 17 ASN H CA 18 C C . ASN A 3 ? 0.5616 0.3180 0.4581 0.0052 0.0873 0.0126 17 ASN H C 19 O O . ASN A 3 ? 0.5437 0.2401 0.4140 0.0091 0.0949 0.0094 17 ASN H O 20 C CB . ASN A 3 ? 0.5280 0.3460 0.4462 -0.0362 0.0949 -0.0101 17 ASN H CB 21 C CG . ASN A 3 ? 0.8403 0.7160 0.7697 -0.0482 0.0816 -0.0163 17 ASN H CG 22 O OD1 . ASN A 3 ? 1.0099 0.8686 0.9240 -0.0458 0.0760 -0.0284 17 ASN H OD1 23 N ND2 . ASN A 3 ? 0.7260 0.6732 0.6835 -0.0622 0.0765 -0.0070 17 ASN H ND2 24 N N . LEU A 4 ? 0.4691 0.2488 0.3697 0.0140 0.0735 0.0176 18 LEU H N 25 C CA . LEU A 4 ? 0.4807 0.2237 0.3587 0.0270 0.0654 0.0145 18 LEU H CA 26 C C . LEU A 4 ? 0.5230 0.2993 0.4065 0.0201 0.0547 0.0014 18 LEU H C 27 O O . LEU A 4 ? 0.4798 0.3127 0.3818 0.0098 0.0494 0.0044 18 LEU H O 28 C CB . LEU A 4 ? 0.4509 0.1874 0.3266 0.0428 0.0628 0.0323 18 LEU H CB 29 C CG . LEU A 4 ? 0.4912 0.1911 0.3591 0.0482 0.0775 0.0430 18 LEU H CG 30 C CD1 . LEU A 4 ? 0.4879 0.1862 0.3567 0.0606 0.0784 0.0583 18 LEU H CD1 31 C CD2 . LEU A 4 ? 0.5540 0.2060 0.3931 0.0458 0.0786 0.0335 18 LEU H CD2 32 N N . LEU A 5 ? 0.4616 0.2050 0.3302 0.0253 0.0518 -0.0121 19 LEU H N 33 C CA . LEU A 5 ? 0.4549 0.2275 0.3304 0.0181 0.0460 -0.0284 19 LEU H CA 34 C C . LEU A 5 ? 0.5085 0.2524 0.3752 0.0349 0.0390 -0.0316 19 LEU H C 35 O O . LEU A 5 ? 0.5469 0.2440 0.4041 0.0435 0.0419 -0.0371 19 LEU H O 36 C CB . LEU A 5 ? 0.4760 0.2483 0.3534 -0.0008 0.0566 -0.0506 19 LEU H CB 37 C CG . LEU A 5 ? 0.4732 0.2890 0.3588 -0.0190 0.0562 -0.0705 19 LEU H CG 38 C CD1 . LEU A 5 ? 0.4963 0.3187 0.3817 -0.0453 0.0697 -0.0901 19 LEU H CD1 39 C CD2 . LEU A 5 ? 0.5204 0.3136 0.4048 -0.0069 0.0553 -0.0847 19 LEU H CD2 40 N N . GLU A 6 ? 0.4671 0.2405 0.3378 0.0391 0.0295 -0.0266 20 GLU H N 41 C CA . GLU A 6 ? 0.4771 0.2358 0.3440 0.0525 0.0220 -0.0303 20 GLU H CA 42 C C . GLU A 6 ? 0.5324 0.3038 0.4118 0.0477 0.0245 -0.0546 20 GLU H C 43 O O . GLU A 6 ? 0.4862 0.2941 0.3736 0.0294 0.0295 -0.0681 20 GLU H O 44 C CB . GLU A 6 ? 0.4746 0.2589 0.3394 0.0556 0.0135 -0.0174 20 GLU H CB 45 C CG . GLU A 6 ? 0.5245 0.2964 0.3802 0.0602 0.0155 0.0052 20 GLU H CG 46 C CD . GLU A 6 ? 0.5196 0.3293 0.3891 0.0502 0.0188 0.0155 20 GLU H CD 47 O OE1 . GLU A 6 ? 0.4670 0.2770 0.3372 0.0557 0.0210 0.0346 20 GLU H OE1 48 O OE2 . GLU A 6 ? 0.4984 0.3388 0.3794 0.0363 0.0198 0.0049 20 GLU H OE2 49 N N . SER A 7 ? 0.4604 0.2037 0.3427 0.0632 0.0217 -0.0600 21 SER H N 50 C CA . SER A 7 ? 0.4836 0.2375 0.3845 0.0630 0.0267 -0.0834 21 SER H CA 51 C C . SER A 7 ? 0.4956 0.2443 0.4052 0.0824 0.0164 -0.0801 21 SER H C 52 O O . SER A 7 ? 0.5132 0.2466 0.4094 0.0932 0.0049 -0.0603 21 SER H O 53 C CB . SER A 7 ? 0.5218 0.2408 0.4283 0.0613 0.0410 -0.0988 21 SER H CB 54 O OG . SER A 7 ? 0.6129 0.3494 0.5387 0.0538 0.0525 -0.1263 21 SER H OG 55 N N . GLY A 8 ? 0.5043 0.2686 0.4376 0.0846 0.0219 -0.1012 22 GLY H N 56 C CA . GLY A 8 ? 0.5720 0.3402 0.5233 0.1030 0.0131 -0.1008 22 GLY H CA 57 C C . GLY A 8 ? 0.4961 0.3137 0.4528 0.0950 0.0083 -0.1067 22 GLY H C 58 O O . GLY A 8 ? 0.5342 0.3646 0.5118 0.1075 0.0030 -0.1110 22 GLY H O 59 N N . GLY A 9 ? 0.5139 0.3613 0.4539 0.0743 0.0098 -0.1059 23 GLY H N 60 C CA . GLY A 9 ? 0.4810 0.3711 0.4207 0.0640 0.0061 -0.1096 23 GLY H CA 61 C C . GLY A 9 ? 0.5013 0.4224 0.4652 0.0555 0.0181 -0.1396 23 GLY H C 62 O O . GLY A 9 ? 0.5720 0.4814 0.5542 0.0565 0.0320 -0.1598 23 GLY H O 63 N N . GLY A 10 ? 0.4718 0.4305 0.4350 0.0456 0.0154 -0.1440 24 GLY H N 64 C CA . GLY A 10 ? 0.4517 0.4446 0.4355 0.0334 0.0290 -0.1740 24 GLY H CA 65 C C . GLY A 10 ? 0.4053 0.4272 0.3976 0.0355 0.0226 -0.1751 24 GLY H C 66 O O . GLY A 10 ? 0.4807 0.4993 0.4547 0.0392 0.0083 -0.1527 24 GLY H O 67 N N . LEU A 11 ? 0.4378 0.4881 0.4585 0.0306 0.0363 -0.2039 25 LEU H N 68 C CA . LEU A 11 ? 0.4058 0.4909 0.4402 0.0295 0.0335 -0.2103 25 LEU H CA 69 C C . LEU A 11 ? 0.4807 0.5553 0.5462 0.0604 0.0215 -0.2005 25 LEU H C 70 O O . LEU A 11 ? 0.5226 0.5758 0.6203 0.0827 0.0257 -0.2056 25 LEU H O 71 C CB . LEU A 11 ? 0.4416 0.5632 0.4985 0.0118 0.0556 -0.2471 25 LEU H CB 72 C CG . LEU A 11 ? 0.4321 0.5965 0.5119 0.0079 0.0589 -0.2621 25 LEU H CG 73 C CD1 . LEU A 11 ? 0.4435 0.6246 0.4832 -0.0108 0.0454 -0.2430 25 LEU H CD1 74 C CD2 . LEU A 11 ? 0.4647 0.6595 0.5659 -0.0118 0.0864 -0.3022 25 LEU H CD2 75 N N . VAL A 12 ? 0.3851 0.4747 0.4400 0.0602 0.0069 -0.1856 26 VAL H N 76 C CA . VAL A 12 ? 0.4653 0.5575 0.5471 0.0837 -0.0075 -0.1755 26 VAL H CA 77 C C . VAL A 12 ? 0.4476 0.5870 0.5354 0.0706 -0.0102 -0.1831 26 VAL H C 78 O O . VAL A 12 ? 0.4734 0.6219 0.5234 0.0462 -0.0096 -0.1794 26 VAL H O 79 C CB . VAL A 12 ? 0.4482 0.4983 0.5001 0.0954 -0.0263 -0.1430 26 VAL H CB 80 C CG1 . VAL A 12 ? 0.4246 0.4655 0.4249 0.0743 -0.0302 -0.1270 26 VAL H CG1 81 C CG2 . VAL A 12 ? 0.5032 0.5619 0.5777 0.1146 -0.0443 -0.1302 26 VAL H CG2 82 N N . GLN A 13 ? 0.4291 0.5998 0.5668 0.0865 -0.0121 -0.1934 27 GLN H N 83 C CA . GLN A 13 ? 0.4620 0.6834 0.6100 0.0725 -0.0134 -0.2033 27 GLN H CA 84 C C . GLN A 13 ? 0.4957 0.7105 0.6070 0.0661 -0.0343 -0.1772 27 GLN H C 85 O O . GLN A 13 ? 0.4565 0.6365 0.5536 0.0812 -0.0501 -0.1530 27 GLN H O 86 C CB . GLN A 13 ? 0.5348 0.7976 0.7542 0.0930 -0.0099 -0.2205 27 GLN H CB 87 C CG . GLN A 13 ? 0.6728 0.9244 0.9232 0.1264 -0.0309 -0.1975 27 GLN H CG 88 C CD . GLN A 13 ? 0.8169 1.1225 1.1423 0.1461 -0.0312 -0.2095 27 GLN H CD 89 O OE1 . GLN A 13 ? 0.8304 1.1836 1.1841 0.1329 -0.0141 -0.2375 27 GLN H OE1 90 N NE2 . GLN A 13 ? 0.8789 1.1795 1.2384 0.1775 -0.0508 -0.1870 27 GLN H NE2 91 N N . PRO A 14 ? 0.4835 0.7276 0.5738 0.0404 -0.0323 -0.1827 28 PRO H N 92 C CA . PRO A 14 ? 0.4892 0.7265 0.5438 0.0301 -0.0480 -0.1622 28 PRO H CA 93 C C . PRO A 14 ? 0.4753 0.7279 0.5616 0.0510 -0.0685 -0.1503 28 PRO H C 94 O O . PRO A 14 ? 0.4763 0.7733 0.6213 0.0659 -0.0700 -0.1629 28 PRO H O 95 C CB . PRO A 14 ? 0.4699 0.7464 0.5125 -0.0005 -0.0381 -0.1781 28 PRO H CB 96 C CG . PRO A 14 ? 0.5114 0.8193 0.5862 -0.0054 -0.0181 -0.2073 28 PRO H CG 97 C CD . PRO A 14 ? 0.5277 0.8027 0.6138 0.0141 -0.0129 -0.2072 28 PRO H CD 98 N N . GLY A 15 ? 0.4923 0.7088 0.5405 0.0516 -0.0838 -0.1249 29 GLY H N 99 C CA . GLY A 15 ? 0.4505 0.6766 0.5178 0.0680 -0.1064 -0.1081 29 GLY H CA 100 C C . GLY A 15 ? 0.4101 0.6064 0.5032 0.1003 -0.1135 -0.0959 29 GLY H C 101 O O . GLY A 15 ? 0.4772 0.6772 0.5828 0.1149 -0.1346 -0.0767 29 GLY H O 102 N N . GLY A 16 ? 0.3999 0.5667 0.4987 0.1096 -0.0968 -0.1053 30 GLY H N 103 C CA . GLY A 16 ? 0.5201 0.6540 0.6425 0.1380 -0.0992 -0.0967 30 GLY H CA 104 C C . GLY A 16 ? 0.5261 0.5980 0.5969 0.1374 -0.1053 -0.0734 30 GLY H C 105 O O . GLY A 16 ? 0.5336 0.5884 0.5536 0.1177 -0.1093 -0.0620 30 GLY H O 106 N N . SER A 17 ? 0.5191 0.5544 0.6043 0.1588 -0.1032 -0.0677 31 SER H N 107 C CA . SER A 17 ? 0.5608 0.5380 0.6038 0.1605 -0.1085 -0.0460 31 SER H CA 108 C C . SER A 17 ? 0.5886 0.5290 0.6334 0.1662 -0.0898 -0.0558 31 SER H C 109 O O . SER A 17 ? 0.4968 0.4476 0.5848 0.1789 -0.0776 -0.0737 31 SER H O 110 C CB . SER A 17 ? 0.6092 0.5752 0.6612 0.1795 -0.1314 -0.0208 31 SER H CB 111 O OG . SER A 17 ? 0.6185 0.6257 0.6689 0.1707 -0.1503 -0.0120 31 SER H OG 112 N N . LEU A 18 ? 0.5477 0.5020 0.4564 0.0699 -0.0884 0.0203 32 LEU H N 113 C CA . LEU A 18 ? 0.5497 0.5153 0.4555 0.0787 -0.0842 0.0019 32 LEU H CA 114 C C . LEU A 18 ? 0.5285 0.4424 0.4216 0.0636 -0.0779 -0.0087 32 LEU H C 115 O O . LEU A 18 ? 0.5591 0.4501 0.4541 0.0524 -0.0722 0.0017 32 LEU H O 116 C CB . LEU A 18 ? 0.5176 0.5413 0.4449 0.0928 -0.0773 0.0141 32 LEU H CB 117 C CG . LEU A 18 ? 0.6267 0.6797 0.5553 0.1068 -0.0748 -0.0041 32 LEU H CG 118 C CD1 . LEU A 18 ? 0.6279 0.7093 0.5521 0.1242 -0.0867 -0.0232 32 LEU H CD1 119 C CD2 . LEU A 18 ? 0.5722 0.6800 0.5227 0.1171 -0.0656 0.0142 32 LEU H CD2 120 N N . ASN A 19 ? 0.5014 0.3989 0.3844 0.0643 -0.0802 -0.0288 33 ASN H N 121 C CA . ASN A 19 ? 0.5239 0.3822 0.3971 0.0525 -0.0738 -0.0364 33 ASN H CA 122 C C . ASN A 19 ? 0.5357 0.4154 0.4186 0.0603 -0.0677 -0.0443 33 ASN H C 123 O O . ASN A 19 ? 0.5635 0.4688 0.4541 0.0727 -0.0745 -0.0577 33 ASN H O 124 C CB . ASN A 19 ? 0.5403 0.3630 0.4004 0.0447 -0.0812 -0.0478 33 ASN H CB 125 C CG . ASN A 19 ? 0.5238 0.3198 0.3708 0.0341 -0.0851 -0.0398 33 ASN H CG 126 O OD1 . ASN A 19 ? 0.5178 0.3149 0.3656 0.0307 -0.0826 -0.0275 33 ASN H OD1 127 N ND2 . ASN A 19 ? 0.6204 0.3935 0.4590 0.0288 -0.0925 -0.0461 33 ASN H ND2 128 N N . LEU A 20 ? 0.4368 0.3066 0.3205 0.0539 -0.0562 -0.0377 34 LEU H N 129 C CA . LEU A 20 ? 0.4585 0.3430 0.3499 0.0586 -0.0492 -0.0437 34 LEU H CA 130 C C . LEU A 20 ? 0.5159 0.3616 0.3963 0.0479 -0.0470 -0.0525 34 LEU H C 131 O O . LEU A 20 ? 0.4822 0.2922 0.3481 0.0362 -0.0454 -0.0490 34 LEU H O 132 C CB . LEU A 20 ? 0.3953 0.2984 0.2986 0.0597 -0.0373 -0.0284 34 LEU H CB 133 C CG . LEU A 20 ? 0.4198 0.3646 0.3405 0.0685 -0.0385 -0.0111 34 LEU H CG 134 C CD1 . LEU A 20 ? 0.4271 0.3876 0.3666 0.0680 -0.0274 0.0068 34 LEU H CD1 135 C CD2 . LEU A 20 ? 0.4064 0.4044 0.3352 0.0868 -0.0451 -0.0179 34 LEU H CD2 136 N N . SER A 21 ? 0.4663 0.3234 0.3554 0.0529 -0.0480 -0.0633 35 SER H N 137 C CA . SER A 21 ? 0.4773 0.3060 0.3629 0.0436 -0.0458 -0.0672 35 SER H CA 138 C C . SER A 21 ? 0.5107 0.3541 0.4037 0.0459 -0.0345 -0.0652 35 SER H C 139 O O . SER A 21 ? 0.4654 0.3460 0.3701 0.0568 -0.0321 -0.0657 35 SER H O 140 C CB . SER A 21 ? 0.5029 0.3266 0.3992 0.0454 -0.0607 -0.0810 35 SER H CB 141 O OG . SER A 21 ? 0.6170 0.4768 0.5312 0.0600 -0.0674 -0.0946 35 SER H OG 142 N N . CYS A 22 ? 0.4504 0.2690 0.3367 0.0362 -0.0272 -0.0613 36 CYS H N 143 C CA . CYS A 22 ? 0.4221 0.2509 0.3145 0.0371 -0.0161 -0.0584 36 CYS H CA 144 C C . CYS A 22 ? 0.5201 0.3310 0.4161 0.0299 -0.0188 -0.0600 36 CYS H C 145 O O . CYS A 22 ? 0.5355 0.3210 0.4184 0.0207 -0.0151 -0.0522 36 CYS H O 146 C CB . CYS A 22 ? 0.4518 0.2719 0.3338 0.0336 -0.0016 -0.0470 36 CYS H CB 147 S SG . CYS A 22 ? 0.5650 0.3873 0.4493 0.0323 0.0139 -0.0414 36 CYS H SG 148 N N . ALA A 23 ? 0.4366 0.2643 0.3528 0.0348 -0.0266 -0.0694 37 ALA H N 149 C CA . ALA A 23 ? 0.4661 0.2806 0.3959 0.0279 -0.0319 -0.0685 37 ALA H CA 150 C C . ALA A 23 ? 0.5007 0.3192 0.4295 0.0249 -0.0170 -0.0584 37 ALA H C 151 O O . ALA A 23 ? 0.4334 0.2760 0.3662 0.0321 -0.0096 -0.0609 37 ALA H O 152 C CB . ALA A 23 ? 0.4553 0.2849 0.4131 0.0353 -0.0506 -0.0860 37 ALA H CB 153 N N . ALA A 24 ? 0.4355 0.2348 0.3597 0.0151 -0.0121 -0.0453 38 ALA H N 154 C CA . ALA A 24 ? 0.4151 0.2187 0.3357 0.0129 0.0029 -0.0340 38 ALA H CA 155 C C . ALA A 24 ? 0.4329 0.2368 0.3779 0.0070 -0.0038 -0.0269 38 ALA H C 156 O O . ALA A 24 ? 0.4817 0.2731 0.4400 0.0006 -0.0164 -0.0226 38 ALA H O 157 C CB . ALA A 24 ? 0.4449 0.2333 0.3379 0.0093 0.0164 -0.0228 38 ALA H CB 158 N N . SER A 25 ? 0.4282 0.2472 0.3825 0.0085 0.0041 -0.0232 39 SER H N 159 C CA . SER A 25 ? 0.4077 0.2283 0.3878 0.0018 -0.0014 -0.0122 39 SER H CA 160 C C . SER A 25 ? 0.4402 0.2741 0.4144 0.0027 0.0163 -0.0008 39 SER H C 161 O O . SER A 25 ? 0.4651 0.3084 0.4218 0.0095 0.0300 -0.0052 39 SER H O 162 C CB . SER A 25 ? 0.5620 0.3906 0.5791 0.0040 -0.0228 -0.0278 39 SER H CB 163 O OG . SER A 25 ? 0.4935 0.3466 0.5146 0.0135 -0.0197 -0.0414 39 SER H OG 164 N N . GLY A 26 ? 0.4470 0.2834 0.4397 -0.0042 0.0156 0.0164 40 GLY H N 165 C CA . GLY A 26 ? 0.5104 0.3620 0.5019 -0.0033 0.0308 0.0284 40 GLY H CA 166 C C . GLY A 26 ? 0.5473 0.3979 0.5075 -0.0019 0.0509 0.0436 40 GLY H C 167 O O . GLY A 26 ? 0.5563 0.4204 0.5121 0.0010 0.0654 0.0524 40 GLY H O 168 N N . PHE A 27 ? 0.5203 0.3574 0.4587 -0.0026 0.0517 0.0454 41 PHE H N 169 C CA . PHE A 27 ? 0.5632 0.4028 0.4723 0.0010 0.0680 0.0568 41 PHE H CA 170 C C . PHE A 27 ? 0.5570 0.3871 0.4554 -0.0025 0.0613 0.0628 41 PHE H C 171 O O . PHE A 27 ? 0.5271 0.3446 0.4372 -0.0072 0.0460 0.0557 41 PHE H O 172 C CB . PHE A 27 ? 0.5661 0.4025 0.4494 0.0103 0.0814 0.0426 41 PHE H CB 173 C CG . PHE A 27 ? 0.6058 0.4261 0.4788 0.0120 0.0741 0.0246 41 PHE H CG 174 C CD1 . PHE A 27 ? 0.5125 0.3347 0.4024 0.0123 0.0645 0.0122 41 PHE H CD1 175 C CD2 . PHE A 27 ? 0.5533 0.3609 0.4005 0.0146 0.0765 0.0204 41 PHE H CD2 176 C CE1 . PHE A 27 ? 0.4902 0.3027 0.3722 0.0146 0.0582 -0.0006 41 PHE H CE1 177 C CE2 . PHE A 27 ? 0.5177 0.3113 0.3585 0.0154 0.0691 0.0066 41 PHE H CE2 178 C CZ . PHE A 27 ? 0.5396 0.3363 0.3982 0.0151 0.0605 -0.0023 41 PHE H CZ 179 N N . ASP A 28 ? 0.5465 0.3863 0.4227 0.0013 0.0728 0.0757 42 ASP H N 180 C CA . ASP A 28 ? 0.5692 0.4072 0.4327 -0.0004 0.0681 0.0830 42 ASP H CA 181 C C . ASP A 28 ? 0.5514 0.3699 0.3872 0.0044 0.0673 0.0600 42 ASP H C 182 O O . ASP A 28 ? 0.5988 0.4185 0.4056 0.0134 0.0778 0.0521 42 ASP H O 183 C CB . ASP A 28 ? 0.5793 0.4438 0.4283 0.0048 0.0803 0.1047 42 ASP H CB 184 C CG . ASP A 28 ? 0.6992 0.5717 0.5409 0.0029 0.0746 0.1180 42 ASP H CG 185 O OD1 . ASP A 28 ? 0.6344 0.4866 0.4769 -0.0020 0.0625 0.1069 42 ASP H OD1 186 O OD2 . ASP A 28 ? 0.7228 0.6262 0.5581 0.0074 0.0827 0.1409 42 ASP H OD2 187 N N . PHE A 29 ? 0.5900 0.3912 0.4376 -0.0010 0.0530 0.0489 43 PHE H N 188 C CA . PHE A 29 ? 0.5296 0.3133 0.3577 0.0022 0.0500 0.0294 43 PHE H CA 189 C C . PHE A 29 ? 0.5657 0.3486 0.3636 0.0061 0.0540 0.0297 43 PHE H C 190 O O . PHE A 29 ? 0.5702 0.3433 0.3475 0.0124 0.0576 0.0140 43 PHE H O 191 C CB . PHE A 29 ? 0.5355 0.3073 0.3829 -0.0038 0.0329 0.0225 43 PHE H CB 192 C CG . PHE A 29 ? 0.5228 0.2799 0.3551 -0.0012 0.0284 0.0056 43 PHE H CG 193 C CD1 . PHE A 29 ? 0.4946 0.2517 0.3286 0.0040 0.0308 -0.0075 43 PHE H CD1 194 C CD2 . PHE A 29 ? 0.4941 0.2411 0.3151 -0.0042 0.0206 0.0059 43 PHE H CD2 195 C CE1 . PHE A 29 ? 0.5021 0.2497 0.3280 0.0060 0.0257 -0.0185 43 PHE H CE1 196 C CE2 . PHE A 29 ? 0.5653 0.2998 0.3755 -0.0024 0.0154 -0.0077 43 PHE H CE2 197 C CZ . PHE A 29 ? 0.5263 0.2614 0.3402 0.0026 0.0177 -0.0191 43 PHE H CZ 198 N N . SER A 30 ? 0.5819 0.3782 0.3800 0.0031 0.0523 0.0483 44 SER H N 199 C CA . SER A 30 ? 0.5948 0.3968 0.3645 0.0080 0.0543 0.0483 44 SER H CA 200 C C . SER A 30 ? 0.6149 0.4294 0.3564 0.0211 0.0682 0.0406 44 SER H C 201 O O . SER A 30 ? 0.6643 0.4840 0.3795 0.0283 0.0688 0.0335 44 SER H O 202 C CB . SER A 30 ? 0.5576 0.3803 0.3387 0.0026 0.0500 0.0752 44 SER H CB 203 O OG . SER A 30 ? 0.6626 0.5143 0.4517 0.0054 0.0599 0.0971 44 SER H OG 204 N N . ARG A 31 ? 0.6101 0.4307 0.3570 0.0255 0.0785 0.0403 45 ARG H N 205 C CA . ARG A 31 ? 0.7309 0.5644 0.4544 0.0396 0.0913 0.0325 45 ARG H CA 206 C C . ARG A 31 ? 0.6714 0.4824 0.3906 0.0453 0.0931 0.0075 45 ARG H C 207 O O . ARG A 31 ? 0.6498 0.4674 0.3539 0.0579 0.1018 -0.0028 45 ARG H O 208 C CB . ARG A 31 ? 0.7771 0.6380 0.5106 0.0424 0.1028 0.0529 45 ARG H CB 209 C CG . ARG A 31 ? 0.9125 0.8037 0.6556 0.0383 0.1022 0.0837 45 ARG H CG 210 C CD . ARG A 31 ? 1.0910 1.0105 0.8037 0.0508 0.1068 0.0868 45 ARG H CD 211 N NE . ARG A 31 ? 1.2427 1.2039 0.9675 0.0499 0.1102 0.1231 45 ARG H NE 212 C CZ . ARG A 31 ? 1.2567 1.2261 1.0021 0.0387 0.1003 0.1464 45 ARG H CZ 213 N NH1 . ARG A 31 ? 1.2942 1.3061 1.0565 0.0382 0.1035 0.1839 45 ARG H NH1 214 N NH2 . ARG A 31 ? 1.2217 1.1589 0.9740 0.0285 0.0867 0.1343 45 ARG H NH2 215 N N . TYR A 32 ? 0.5885 0.3764 0.3236 0.0374 0.0846 -0.0014 46 TYR H N 216 C CA . TYR A 32 ? 0.5433 0.3158 0.2842 0.0415 0.0864 -0.0175 46 TYR H CA 217 C C . TYR A 32 ? 0.5554 0.3059 0.2924 0.0402 0.0750 -0.0332 46 TYR H C 218 O O . TYR A 32 ? 0.5758 0.3195 0.3145 0.0323 0.0646 -0.0307 46 TYR H O 219 C CB . TYR A 32 ? 0.5283 0.3027 0.2963 0.0355 0.0877 -0.0110 46 TYR H CB 220 C CG . TYR A 32 ? 0.5742 0.3680 0.3492 0.0384 0.1000 0.0010 46 TYR H CG 221 C CD1 . TYR A 32 ? 0.5918 0.4018 0.3742 0.0330 0.1002 0.0195 46 TYR H CD1 222 C CD2 . TYR A 32 ? 0.5578 0.3542 0.3360 0.0461 0.1104 -0.0041 46 TYR H CD2 223 C CE1 . TYR A 32 ? 0.6254 0.4544 0.4165 0.0351 0.1108 0.0325 46 TYR H CE1 224 C CE2 . TYR A 32 ? 0.6155 0.4307 0.3998 0.0489 0.1220 0.0077 46 TYR H CE2 225 C CZ . TYR A 32 ? 0.7208 0.5526 0.5106 0.0433 0.1222 0.0260 46 TYR H CZ 226 O OH . TYR A 32 ? 0.7956 0.6474 0.5937 0.0455 0.1330 0.0397 46 TYR H OH 227 N N . TRP A 33 ? 0.5427 0.2822 0.2788 0.0478 0.0760 -0.0484 47 TRP H N 228 C CA . TRP A 33 ? 0.5237 0.2429 0.2683 0.0453 0.0648 -0.0596 47 TRP H CA 229 C C . TRP A 33 ? 0.5415 0.2616 0.3126 0.0378 0.0626 -0.0509 47 TRP H C 230 O O . TRP A 33 ? 0.5477 0.2809 0.3326 0.0381 0.0711 -0.0425 47 TRP H O 231 C CB . TRP A 33 ? 0.5546 0.2624 0.3023 0.0552 0.0646 -0.0760 47 TRP H CB 232 C CG . TRP A 33 ? 0.6192 0.3265 0.3410 0.0664 0.0626 -0.0927 47 TRP H CG 233 C CD1 . TRP A 33 ? 0.6114 0.3397 0.3104 0.0760 0.0720 -0.0922 47 TRP H CD1 234 C CD2 . TRP A 33 ? 0.6551 0.3445 0.3735 0.0711 0.0496 -0.1132 47 TRP H CD2 235 N NE1 . TRP A 33 ? 0.6847 0.4125 0.3631 0.0882 0.0659 -0.1129 47 TRP H NE1 236 C CE2 . TRP A 33 ? 0.6837 0.3853 0.3741 0.0850 0.0513 -0.1277 47 TRP H CE2 237 C CE3 . TRP A 33 ? 0.6486 0.3157 0.3864 0.0655 0.0357 -0.1199 47 TRP H CE3 238 C CZ2 . TRP A 33 ? 0.7721 0.4634 0.4538 0.0938 0.0383 -0.1527 47 TRP H CZ2 239 C CZ3 . TRP A 33 ? 0.6653 0.3239 0.4017 0.0711 0.0224 -0.1404 47 TRP H CZ3 240 C CH2 . TRP A 33 ? 0.7277 0.4006 0.4392 0.0843 0.0231 -0.1571 47 TRP H CH2 241 N N . MET A 34 ? 0.4430 0.2302 0.2719 0.0444 0.0547 -0.0272 48 MET H N 242 C CA . MET A 34 ? 0.4040 0.2094 0.2590 0.0465 0.0403 -0.0275 48 MET H CA 243 C C . MET A 34 ? 0.5020 0.3039 0.3558 0.0521 0.0329 -0.0328 48 MET H C 244 O O . MET A 34 ? 0.4896 0.2725 0.3214 0.0512 0.0326 -0.0379 48 MET H O 245 C CB . MET A 34 ? 0.4883 0.2865 0.3385 0.0409 0.0266 -0.0259 48 MET H CB 246 C CG . MET A 34 ? 0.5107 0.3085 0.3654 0.0306 0.0334 -0.0201 48 MET H CG 247 S SD . MET A 34 ? 0.4636 0.3006 0.3621 0.0266 0.0371 -0.0195 48 MET H SD 248 C CE . MET A 34 ? 0.4219 0.2665 0.3284 0.0314 0.0168 -0.0266 48 MET H CE 249 N N . SER A 35 ? 0.4290 0.2490 0.3049 0.0561 0.0270 -0.0317 49 SER H N 250 C CA . SER A 35 ? 0.3862 0.2042 0.2647 0.0590 0.0241 -0.0341 49 SER H CA 251 C C . SER A 35 ? 0.4213 0.2569 0.3142 0.0611 0.0153 -0.0325 49 SER H C 252 O O . SER A 35 ? 0.4249 0.2733 0.3245 0.0617 0.0113 -0.0313 49 SER H O 253 C CB . SER A 35 ? 0.4514 0.2660 0.3366 0.0652 0.0374 -0.0317 49 SER H CB 254 O OG . SER A 35 ? 0.4475 0.2851 0.3540 0.0725 0.0406 -0.0238 49 SER H OG 255 N N . TRP A 36 ? 0.4385 0.2739 0.3346 0.0606 0.0135 -0.0337 50 TRP H N 256 C CA . TRP A 36 ? 0.4091 0.2616 0.3162 0.0636 0.0109 -0.0315 50 TRP H CA 257 C C . TRP A 36 ? 0.4450 0.2966 0.3581 0.0647 0.0200 -0.0248 50 TRP H C 258 O O . TRP A 36 ? 0.4384 0.2722 0.3491 0.0605 0.0252 -0.0258 50 TRP H O 259 C CB . TRP A 36 ? 0.4446 0.3027 0.3557 0.0620 0.0027 -0.0369 50 TRP H CB 260 C CG . TRP A 36 ? 0.4422 0.2971 0.3470 0.0649 -0.0065 -0.0410 50 TRP H CG 261 C CD1 . TRP A 36 ? 0.4390 0.2789 0.3319 0.0629 -0.0140 -0.0426 50 TRP H CD1 262 C CD2 . TRP A 36 ? 0.4223 0.2830 0.3276 0.0705 -0.0090 -0.0437 50 TRP H CD2 263 N NE1 . TRP A 36 ? 0.4559 0.2898 0.3445 0.0677 -0.0202 -0.0437 50 TRP H NE1 264 C CE2 . TRP A 36 ? 0.4757 0.3207 0.3726 0.0719 -0.0171 -0.0463 50 TRP H CE2 265 C CE3 . TRP A 36 ? 0.4237 0.2974 0.3308 0.0746 -0.0053 -0.0447 50 TRP H CE3 266 C CZ2 . TRP A 36 ? 0.4622 0.2999 0.3553 0.0767 -0.0205 -0.0511 50 TRP H CZ2 267 C CZ3 . TRP A 36 ? 0.4231 0.2925 0.3233 0.0788 -0.0097 -0.0519 50 TRP H CZ3 268 C CH2 . TRP A 36 ? 0.4454 0.2952 0.3404 0.0796 -0.0167 -0.0559 50 TRP H CH2 269 N N . ALA A 37 ? 0.4176 0.2839 0.3338 0.0701 0.0220 -0.0180 51 ALA H N 270 C CA . ALA A 37 ? 0.4040 0.2671 0.3219 0.0716 0.0313 -0.0076 51 ALA H CA 271 C C . ALA A 37 ? 0.4135 0.2952 0.3289 0.0738 0.0324 -0.0043 51 ALA H C 272 O O . ALA A 37 ? 0.4149 0.3098 0.3261 0.0767 0.0255 -0.0117 51 ALA H O 273 C CB . ALA A 37 ? 0.3929 0.2502 0.3091 0.0812 0.0358 0.0031 51 ALA H CB 274 N N . ARG A 38 ? 0.4403 0.3190 0.3553 0.0724 0.0431 0.0067 52 ARG H N 275 C CA . ARG A 38 ? 0.4114 0.3076 0.3190 0.0749 0.0488 0.0108 52 ARG H CA 276 C C . ARG A 38 ? 0.4681 0.3560 0.3630 0.0781 0.0600 0.0301 52 ARG H C 277 O O . ARG A 38 ? 0.4946 0.3595 0.3940 0.0750 0.0664 0.0396 52 ARG H O 278 C CB . ARG A 38 ? 0.4432 0.3524 0.3686 0.0666 0.0540 0.0034 52 ARG H CB 279 C CG . ARG A 38 ? 0.4361 0.3352 0.3791 0.0527 0.0632 0.0091 52 ARG H CG 280 C CD . ARG A 38 ? 0.4855 0.4090 0.4554 0.0442 0.0652 0.0013 52 ARG H CD 281 N NE . ARG A 38 ? 0.4710 0.3879 0.4621 0.0258 0.0719 0.0051 52 ARG H NE 282 C CZ . ARG A 38 ? 0.4830 0.4264 0.5070 0.0139 0.0735 0.0003 52 ARG H CZ 283 N NH1 . ARG A 38 ? 0.4690 0.4044 0.5130 -0.0072 0.0779 0.0025 52 ARG H NH1 284 N NH2 . ARG A 38 ? 0.4023 0.3800 0.4418 0.0233 0.0703 -0.0074 52 ARG H NH2 285 N N . GLN A 39 ? 0.4339 0.3361 0.3083 0.0849 0.0628 0.0359 53 GLN H N 286 C CA . GLN A 39 ? 0.4470 0.3410 0.3011 0.0891 0.0738 0.0576 53 GLN H CA 287 C C . GLN A 39 ? 0.5446 0.4535 0.3881 0.0855 0.0896 0.0598 53 GLN H C 288 O O . GLN A 39 ? 0.5149 0.4416 0.3385 0.0925 0.0864 0.0507 53 GLN H O 289 C CB . GLN A 39 ? 0.5195 0.4175 0.3495 0.1037 0.0607 0.0663 53 GLN H CB 290 C CG . GLN A 39 ? 0.5704 0.4572 0.3737 0.1114 0.0693 0.0926 53 GLN H CG 291 C CD . GLN A 39 ? 0.6895 0.5813 0.4787 0.1277 0.0517 0.1038 53 GLN H CD 292 O OE1 . GLN A 39 ? 0.7216 0.6371 0.5056 0.1317 0.0335 0.0912 53 GLN H OE1 293 N NE2 . GLN A 39 ? 0.7663 0.6357 0.5521 0.1372 0.0564 0.1276 53 GLN H NE2 294 N N . ALA A 40 ? 0.5604 0.4616 0.4178 0.0736 0.1080 0.0704 54 ALA H N 295 C CA . ALA A 40 ? 0.6272 0.5460 0.4798 0.0689 0.1287 0.0757 54 ALA H CA 296 C C . ALA A 40 ? 0.6513 0.5617 0.4580 0.0782 0.1381 0.0978 54 ALA H C 297 O O . ALA A 40 ? 0.7182 0.6054 0.5067 0.0857 0.1299 0.1138 54 ALA H O 298 C CB . ALA A 40 ? 0.6579 0.5743 0.5470 0.0487 0.1450 0.0806 54 ALA H CB 299 N N . PRO A 41 ? 0.7811 0.7106 0.5662 0.0803 0.1552 0.0994 55 PRO H N 300 C CA . PRO A 41 ? 0.8085 0.7291 0.5399 0.0892 0.1645 0.1217 55 PRO H CA 301 C C . PRO A 41 ? 0.8349 0.7224 0.5618 0.0831 0.1757 0.1530 55 PRO H C 302 O O . PRO A 41 ? 0.8683 0.7470 0.6276 0.0652 0.1944 0.1603 55 PRO H O 303 C CB . PRO A 41 ? 0.8131 0.7588 0.5331 0.0873 0.1909 0.1174 55 PRO H CB 304 C CG . PRO A 41 ? 0.7593 0.7297 0.5145 0.0883 0.1826 0.0858 55 PRO H CG 305 C CD . PRO A 41 ? 0.7432 0.7040 0.5479 0.0784 0.1659 0.0797 55 PRO H CD 306 N N . GLY A 42 ? 0.8284 0.6968 0.5174 0.0981 0.1622 0.1712 56 GLY H N 307 C CA . GLY A 42 ? 0.9542 0.7840 0.6317 0.0982 0.1716 0.2039 56 GLY H CA 308 C C . GLY A 42 ? 0.9306 0.7307 0.6499 0.0921 0.1656 0.2032 56 GLY H C 309 O O . GLY A 42 ? 0.9797 0.7395 0.6893 0.0944 0.1732 0.2295 56 GLY H O 310 N N . LYS A 43 ? 0.8308 0.6445 0.5913 0.0856 0.1531 0.1747 57 LYS H N 311 C CA . LYS A 43 ? 0.7865 0.5703 0.5805 0.0787 0.1496 0.1704 57 LYS H CA 312 C C . LYS A 43 ? 0.7847 0.5708 0.5833 0.0965 0.1247 0.1596 57 LYS H C 313 O O . LYS A 43 ? 0.7019 0.5174 0.4859 0.1097 0.1079 0.1521 57 LYS H O 314 C CB . LYS A 43 ? 0.8330 0.6286 0.6696 0.0553 0.1557 0.1477 57 LYS H CB 315 C CG . LYS A 43 ? 1.0222 0.8211 0.8687 0.0341 0.1821 0.1585 57 LYS H CG 316 C CD . LYS A 43 ? 1.1427 0.9609 1.0385 0.0116 0.1827 0.1358 57 LYS H CD 317 C CE . LYS A 43 ? 1.2692 1.1009 1.1852 -0.0115 0.2098 0.1466 57 LYS H CE 318 N NZ . LYS A 43 ? 1.2716 1.1354 1.2416 -0.0319 0.2061 0.1241 57 LYS H NZ 319 N N . GLY A 44 ? 0.7088 0.4627 0.5281 0.0957 0.1238 0.1580 58 GLY H N 320 C CA . GLY A 44 ? 0.6809 0.4391 0.5117 0.1109 0.1058 0.1467 58 GLY H CA 321 C C . GLY A 44 ? 0.6216 0.4066 0.4753 0.1009 0.0954 0.1160 58 GLY H C 322 O O . GLY A 44 ? 0.6520 0.4537 0.5147 0.0849 0.0997 0.1032 58 GLY H O 323 N N . GLN A 45 ? 0.5281 0.3185 0.3929 0.1118 0.0825 0.1059 59 GLN H N 324 C CA . GLN A 45 ? 0.5182 0.3262 0.4007 0.1030 0.0738 0.0801 59 GLN H CA 325 C C . GLN A 45 ? 0.5475 0.3288 0.4443 0.0859 0.0822 0.0681 59 GLN H C 326 O O . GLN A 45 ? 0.5397 0.2826 0.4364 0.0845 0.0928 0.0758 59 GLN H O 327 C CB . GLN A 45 ? 0.5680 0.3880 0.4590 0.1171 0.0618 0.0750 59 GLN H CB 328 C CG . GLN A 45 ? 0.5651 0.4206 0.4474 0.1285 0.0469 0.0801 59 GLN H CG 329 C CD . GLN A 45 ? 0.5183 0.4001 0.3973 0.1178 0.0379 0.0618 59 GLN H CD 330 O OE1 . GLN A 45 ? 0.5449 0.4222 0.4330 0.1053 0.0411 0.0463 59 GLN H OE1 331 N NE2 . GLN A 45 ? 0.5428 0.4500 0.4072 0.1235 0.0251 0.0631 59 GLN H NE2 332 N N . GLU A 46 ? 0.5063 0.3061 0.4138 0.0733 0.0760 0.0489 60 GLU H N 333 C CA . GLU A 46 ? 0.5235 0.3067 0.4435 0.0561 0.0773 0.0345 60 GLU H CA 334 C C . GLU A 46 ? 0.5066 0.3017 0.4293 0.0565 0.0644 0.0157 60 GLU H C 335 O O . GLU A 46 ? 0.4454 0.2696 0.3701 0.0585 0.0554 0.0096 60 GLU H O 336 C CB . GLU A 46 ? 0.5072 0.3048 0.4407 0.0382 0.0826 0.0335 60 GLU H CB 337 C CG . GLU A 46 ? 0.6289 0.4153 0.5783 0.0183 0.0787 0.0176 60 GLU H CG 338 C CD . GLU A 46 ? 0.6845 0.4946 0.6588 -0.0006 0.0831 0.0170 60 GLU H CD 339 O OE1 . GLU A 46 ? 0.5944 0.4398 0.5752 0.0046 0.0868 0.0219 60 GLU H OE1 340 O OE2 . GLU A 46 ? 0.6066 0.4011 0.5953 -0.0214 0.0833 0.0102 60 GLU H OE2 341 N N . TRP A 47 ? 0.4661 0.2339 0.3851 0.0545 0.0650 0.0065 61 TRP H N 342 C CA . TRP A 47 ? 0.4389 0.2124 0.3536 0.0540 0.0554 -0.0089 61 TRP H CA 343 C C . TRP A 47 ? 0.4545 0.2384 0.3751 0.0379 0.0453 -0.0212 61 TRP H C 344 O O . TRP A 47 ? 0.5422 0.3134 0.4693 0.0230 0.0469 -0.0248 61 TRP H O 345 C CB . TRP A 47 ? 0.4514 0.1906 0.3545 0.0583 0.0629 -0.0149 61 TRP H CB 346 C CG . TRP A 47 ? 0.5068 0.2460 0.3978 0.0588 0.0583 -0.0283 61 TRP H CG 347 C CD1 . TRP A 47 ? 0.5152 0.2686 0.4061 0.0710 0.0603 -0.0263 61 TRP H CD1 348 C CD2 . TRP A 47 ? 0.5291 0.2517 0.4039 0.0454 0.0519 -0.0447 61 TRP H CD2 349 N NE1 . TRP A 47 ? 0.5637 0.3081 0.4372 0.0662 0.0589 -0.0386 61 TRP H NE1 350 C CE2 . TRP A 47 ? 0.5526 0.2772 0.4123 0.0517 0.0524 -0.0500 61 TRP H CE2 351 C CE3 . TRP A 47 ? 0.5824 0.2919 0.4545 0.0272 0.0444 -0.0548 61 TRP H CE3 352 C CZ2 . TRP A 47 ? 0.5617 0.2710 0.3953 0.0428 0.0461 -0.0638 61 TRP H CZ2 353 C CZ3 . TRP A 47 ? 0.6001 0.2981 0.4498 0.0179 0.0342 -0.0707 61 TRP H CZ3 354 C CH2 . TRP A 47 ? 0.5826 0.2787 0.4095 0.0269 0.0353 -0.0743 61 TRP H CH2 355 N N . ILE A 48 ? 0.4253 0.2326 0.3460 0.0407 0.0341 -0.0270 62 ILE H N 356 C CA . ILE A 48 ? 0.4426 0.2650 0.3718 0.0309 0.0218 -0.0361 62 ILE H CA 357 C C . ILE A 48 ? 0.4929 0.2981 0.4041 0.0260 0.0119 -0.0480 62 ILE H C 358 O O . ILE A 48 ? 0.4876 0.2879 0.4003 0.0127 0.0035 -0.0567 62 ILE H O 359 C CB . ILE A 48 ? 0.4402 0.2931 0.3782 0.0395 0.0158 -0.0344 62 ILE H CB 360 C CG1 . ILE A 48 ? 0.4057 0.2746 0.3537 0.0433 0.0268 -0.0244 62 ILE H CG1 361 C CG2 . ILE A 48 ? 0.4355 0.3053 0.3859 0.0346 0.0020 -0.0422 62 ILE H CG2 362 C CD1 . ILE A 48 ? 0.3964 0.2886 0.3454 0.0539 0.0238 -0.0255 62 ILE H CD1 363 N N . GLY A 49 ? 0.4398 0.2369 0.3327 0.0352 0.0126 -0.0484 63 GLY H N 364 C CA . GLY A 49 ? 0.4536 0.2329 0.3212 0.0314 0.0058 -0.0577 63 GLY H CA 365 C C . GLY A 49 ? 0.5120 0.2878 0.3648 0.0410 0.0120 -0.0541 63 GLY H C 366 O O . GLY A 49 ? 0.4764 0.2661 0.3427 0.0491 0.0186 -0.0460 63 GLY H O 367 N N . GLU A 50 ? 0.5113 0.2694 0.3349 0.0383 0.0093 -0.0602 64 GLU H N 368 C CA . GLU A 50 ? 0.4978 0.2501 0.3059 0.0440 0.0196 -0.0564 64 GLU H CA 369 C C . GLU A 50 ? 0.5876 0.3284 0.3637 0.0400 0.0089 -0.0580 64 GLU H C 370 O O . GLU A 50 ? 0.5683 0.3013 0.3281 0.0339 -0.0061 -0.0650 64 GLU H O 371 C CB . GLU A 50 ? 0.4967 0.2302 0.2946 0.0483 0.0399 -0.0601 64 GLU H CB 372 C CG . GLU A 50 ? 0.5378 0.2388 0.2998 0.0414 0.0398 -0.0741 64 GLU H CG 373 C CD . GLU A 50 ? 0.6596 0.3350 0.4115 0.0483 0.0620 -0.0809 64 GLU H CD 374 O OE1 . GLU A 50 ? 0.6349 0.3202 0.4151 0.0596 0.0756 -0.0728 64 GLU H OE1 375 O OE2 . GLU A 50 ? 0.6602 0.3039 0.3733 0.0436 0.0653 -0.0950 64 GLU H OE2 376 N N . ILE A 51 ? 0.5340 0.2738 0.3009 0.0426 0.0159 -0.0505 65 ILE H N 377 C CA . ILE A 51 ? 0.5346 0.2576 0.2650 0.0400 0.0088 -0.0473 65 ILE H CA 378 C C . ILE A 51 ? 0.5677 0.2809 0.2811 0.0397 0.0307 -0.0417 65 ILE H C 379 O O . ILE A 51 ? 0.5888 0.3190 0.3316 0.0410 0.0434 -0.0361 65 ILE H O 380 C CB . ILE A 51 ? 0.5436 0.2756 0.2853 0.0426 -0.0094 -0.0396 65 ILE H CB 381 C CG1 . ILE A 51 ? 0.5878 0.2974 0.2884 0.0424 -0.0186 -0.0325 65 ILE H CG1 382 C CG2 . ILE A 51 ? 0.5754 0.3226 0.3489 0.0448 -0.0021 -0.0336 65 ILE H CG2 383 C CD1 . ILE A 51 ? 0.5962 0.3099 0.3072 0.0493 -0.0393 -0.0257 65 ILE H CD1 384 N N . ASN A 52 ? 0.5920 0.2806 0.2580 0.0370 0.0356 -0.0434 66 ASN H N 385 C CA . ASN A 52 ? 0.6166 0.2974 0.2647 0.0361 0.0615 -0.0376 66 ASN H CA 386 C C . ASN A 52 ? 0.6546 0.3310 0.2953 0.0312 0.0590 -0.0216 66 ASN H C 387 O O . ASN A 52 ? 0.6621 0.3354 0.3043 0.0318 0.0363 -0.0166 66 ASN H O 388 C CB . ASN A 52 ? 0.6624 0.3150 0.2561 0.0359 0.0724 -0.0479 66 ASN H CB 389 C CG . ASN A 52 ? 0.7401 0.3673 0.2758 0.0317 0.0540 -0.0453 66 ASN H CG 390 O OD1 . ASN A 52 ? 0.7521 0.3834 0.2929 0.0313 0.0282 -0.0378 66 ASN H OD1 391 N ND2 . ASN A 52 ? 0.8371 0.4375 0.3144 0.0307 0.0672 -0.0521 66 ASN H ND2 392 N N . PRO A 53 ? 0.6681 0.3441 0.3050 0.0265 0.0840 -0.0127 67 PRO H N 393 C CA . PRO A 53 ? 0.6479 0.3155 0.2829 0.0182 0.0836 0.0036 67 PRO H CA 394 C C . PRO A 53 ? 0.7391 0.3733 0.3244 0.0189 0.0645 0.0125 67 PRO H C 395 O O . PRO A 53 ? 0.7517 0.3776 0.3470 0.0181 0.0500 0.0222 67 PRO H O 396 C CB . PRO A 53 ? 0.6960 0.3682 0.3284 0.0110 0.1180 0.0108 67 PRO H CB 397 C CG . PRO A 53 ? 0.6760 0.3773 0.3439 0.0186 0.1326 -0.0014 67 PRO H CG 398 C CD . PRO A 53 ? 0.7706 0.4597 0.4194 0.0284 0.1150 -0.0164 67 PRO H CD 399 N N . GLY A 54 ? 0.7518 0.3647 0.2815 0.0217 0.0629 0.0093 68 GLY H N 400 C CA . GLY A 54 ? 0.7933 0.3769 0.2722 0.0242 0.0418 0.0201 68 GLY H CA 401 C C . GLY A 54 ? 0.7936 0.3838 0.2771 0.0328 0.0056 0.0120 68 GLY H C 402 O O . GLY A 54 ? 0.8769 0.4475 0.3175 0.0374 -0.0157 0.0205 68 GLY H O 403 N N . SER A 55 ? 0.7533 0.3728 0.2880 0.0350 -0.0018 -0.0027 69 SER H N 404 C CA . SER A 55 ? 0.7340 0.3687 0.2856 0.0407 -0.0324 -0.0109 69 SER H CA 405 C C . SER A 55 ? 0.8347 0.4588 0.3395 0.0386 -0.0480 -0.0209 69 SER H C 406 O O . SER A 55 ? 0.8521 0.4887 0.3630 0.0418 -0.0779 -0.0242 69 SER H O 407 C CB . SER A 55 ? 0.7769 0.4109 0.3414 0.0499 -0.0538 0.0026 69 SER H CB 408 O OG . SER A 55 ? 0.7036 0.3431 0.3079 0.0500 -0.0414 0.0076 69 SER H OG 409 N N . SER A 56 ? 0.8528 0.4557 0.3112 0.0330 -0.0285 -0.0272 70 SER H N 410 C CA . SER A 56 ? 0.8797 0.4680 0.2874 0.0289 -0.0430 -0.0416 70 SER H CA 411 C C . SER A 56 ? 0.8641 0.4627 0.2989 0.0229 -0.0411 -0.0651 70 SER H C 412 O O . SER A 56 ? 0.9092 0.5014 0.3179 0.0160 -0.0586 -0.0801 70 SER H O 413 C CB . SER A 56 ? 0.9907 0.5469 0.3290 0.0265 -0.0210 -0.0385 70 SER H CB 414 O OG . SER A 56 ? 0.9628 0.5171 0.3143 0.0258 0.0187 -0.0424 70 SER H OG 415 N N . THR A 57 ? 0.7677 0.3833 0.2580 0.0245 -0.0213 -0.0670 71 THR H N 416 C CA . THR A 57 ? 0.7957 0.4179 0.3168 0.0201 -0.0189 -0.0846 71 THR H CA 417 C C . THR A 57 ? 0.7289 0.3847 0.3192 0.0231 -0.0243 -0.0776 71 THR H C 418 O O . THR A 57 ? 0.6760 0.3438 0.2949 0.0293 -0.0087 -0.0662 71 THR H O 419 C CB . THR A 57 ? 0.8376 0.4413 0.3483 0.0227 0.0159 -0.0935 71 THR H CB 420 O OG1 . THR A 57 ? 0.8916 0.4737 0.3495 0.0194 0.0218 -0.0999 71 THR H OG1 421 C CG2 . THR A 57 ? 0.8453 0.4523 0.3939 0.0203 0.0192 -0.1067 71 THR H CG2 422 N N . ILE A 58 ? 0.7142 0.3863 0.3303 0.0174 -0.0464 -0.0849 72 ILE H N 423 C CA . ILE A 58 ? 0.6494 0.3529 0.3264 0.0197 -0.0492 -0.0800 72 ILE H CA 424 C C . ILE A 58 ? 0.6665 0.3710 0.3624 0.0085 -0.0518 -0.0942 72 ILE H C 425 O O . ILE A 58 ? 0.7339 0.4342 0.4135 -0.0028 -0.0715 -0.1057 72 ILE H O 426 C CB . ILE A 58 ? 0.6257 0.3547 0.3232 0.0253 -0.0732 -0.0700 72 ILE H CB 427 C CG1 . ILE A 58 ? 0.6653 0.3796 0.3312 0.0341 -0.0739 -0.0560 72 ILE H CG1 428 C CG2 . ILE A 58 ? 0.5784 0.3373 0.3328 0.0301 -0.0689 -0.0652 72 ILE H CG2 429 C CD1 . ILE A 58 ? 0.7024 0.4323 0.3815 0.0438 -0.0981 -0.0456 72 ILE H CD1 430 N N . LYS A 59 ? 0.6163 0.3246 0.3450 0.0104 -0.0330 -0.0927 73 LYS H N 431 C CA . LYS A 59 ? 0.6287 0.3291 0.3736 -0.0008 -0.0308 -0.1032 73 LYS H CA 432 C C . LYS A 59 ? 0.5750 0.3048 0.3717 0.0010 -0.0273 -0.0929 73 LYS H C 433 O O . LYS A 59 ? 0.5670 0.3139 0.3806 0.0134 -0.0192 -0.0804 73 LYS H O 434 C CB . LYS A 59 ? 0.6479 0.3099 0.3696 0.0012 -0.0069 -0.1116 73 LYS H CB 435 C CG . LYS A 59 ? 0.7576 0.3851 0.4201 -0.0016 -0.0063 -0.1258 73 LYS H CG 436 C CD . LYS A 59 ? 0.9107 0.5126 0.5660 0.0030 0.0195 -0.1324 73 LYS H CD 437 C CE . LYS A 59 ? 1.0519 0.6344 0.6594 0.0003 0.0217 -0.1439 73 LYS H CE 438 N NZ . LYS A 59 ? 1.1975 0.7741 0.7824 -0.0183 -0.0060 -0.1589 73 LYS H NZ 439 N N . TYR A 60 ? 0.6076 0.3420 0.4269 -0.0134 -0.0332 -0.0988 74 TYR H N 440 C CA . TYR A 60 ? 0.5820 0.3448 0.4468 -0.0142 -0.0285 -0.0888 74 TYR H CA 441 C C . TYR A 60 ? 0.5968 0.3367 0.4717 -0.0276 -0.0162 -0.0924 74 TYR H C 442 O O . TYR A 60 ? 0.6384 0.3444 0.4909 -0.0407 -0.0183 -0.1069 74 TYR H O 443 C CB . TYR A 60 ? 0.5412 0.3459 0.4370 -0.0203 -0.0492 -0.0883 74 TYR H CB 444 C CG . TYR A 60 ? 0.5371 0.3595 0.4235 -0.0071 -0.0651 -0.0845 74 TYR H CG 445 C CD1 . TYR A 60 ? 0.6126 0.4249 0.4670 -0.0105 -0.0852 -0.0921 74 TYR H CD1 446 C CD2 . TYR A 60 ? 0.4593 0.3043 0.3647 0.0089 -0.0605 -0.0731 74 TYR H CD2 447 C CE1 . TYR A 60 ? 0.5550 0.3780 0.3982 0.0031 -0.0995 -0.0847 74 TYR H CE1 448 C CE2 . TYR A 60 ? 0.5299 0.3824 0.4259 0.0215 -0.0737 -0.0688 74 TYR H CE2 449 C CZ . TYR A 60 ? 0.5664 0.4077 0.4327 0.0193 -0.0929 -0.0728 74 TYR H CZ 450 O OH . TYR A 60 ? 0.5455 0.3890 0.4003 0.0334 -0.1056 -0.0648 74 TYR H OH 451 N N . THR A 61 ? 0.5479 0.3018 0.4523 -0.0248 -0.0031 -0.0793 75 THR H N 452 C CA A THR A 61 ? 0.5652 0.3014 0.4855 -0.0411 0.0069 -0.0787 75 THR H CA 453 C CA B THR A 61 ? 0.5639 0.2990 0.4832 -0.0412 0.0067 -0.0792 75 THR H CA 454 C C . THR A 61 ? 0.5771 0.3379 0.5235 -0.0648 -0.0105 -0.0879 75 THR H C 455 O O . THR A 61 ? 0.5230 0.3315 0.4951 -0.0617 -0.0225 -0.0841 75 THR H O 456 C CB A THR A 61 ? 0.5740 0.3226 0.5152 -0.0318 0.0247 -0.0591 75 THR H CB 457 C CB B THR A 61 ? 0.5775 0.3213 0.5161 -0.0319 0.0255 -0.0596 75 THR H CB 458 O OG1 A THR A 61 ? 0.5516 0.2770 0.4719 -0.0118 0.0382 -0.0511 75 THR H OG1 459 O OG1 B THR A 61 ? 0.6346 0.3543 0.5852 -0.0495 0.0367 -0.0566 75 THR H OG1 460 C CG2 A THR A 61 ? 0.6353 0.3696 0.5962 -0.0519 0.0353 -0.0546 75 THR H CG2 461 C CG2 B THR A 61 ? 0.4794 0.2750 0.4447 -0.0259 0.0212 -0.0506 75 THR H CG2 462 N N . PRO A 62 ? 0.6536 0.3842 0.5963 -0.0885 -0.0133 -0.1010 76 PRO H N 463 C CA . PRO A 62 ? 0.6874 0.4476 0.6583 -0.1145 -0.0351 -0.1122 76 PRO H CA 464 C C . PRO A 62 ? 0.7027 0.5227 0.7305 -0.1191 -0.0341 -0.0991 76 PRO H C 465 O O . PRO A 62 ? 0.6129 0.4810 0.6678 -0.1239 -0.0561 -0.1039 76 PRO H O 466 C CB . PRO A 62 ? 0.7075 0.4158 0.6680 -0.1411 -0.0300 -0.1257 76 PRO H CB 467 C CG . PRO A 62 ? 0.7507 0.3992 0.6594 -0.1235 -0.0152 -0.1303 76 PRO H CG 468 C CD . PRO A 62 ? 0.7167 0.3828 0.6260 -0.0916 0.0005 -0.1093 76 PRO H CD 469 N N . SER A 63 ? 0.7172 0.5370 0.7627 -0.1158 -0.0088 -0.0818 77 SER H N 470 C CA . SER A 63 ? 0.6450 0.5206 0.7413 -0.1202 -0.0023 -0.0697 77 SER H CA 471 C C . SER A 63 ? 0.5753 0.5007 0.6827 -0.0955 -0.0119 -0.0660 77 SER H C 472 O O . SER A 63 ? 0.6104 0.5900 0.7636 -0.0978 -0.0121 -0.0616 77 SER H O 473 C CB . SER A 63 ? 0.6685 0.5271 0.7667 -0.1178 0.0286 -0.0499 77 SER H CB 474 O OG . SER A 63 ? 0.7842 0.6296 0.8497 -0.0875 0.0380 -0.0398 77 SER H OG 475 N N . LEU A 64 ? 0.5117 0.4193 0.5805 -0.0721 -0.0182 -0.0677 78 LEU H N 476 C CA . LEU A 64 ? 0.4770 0.4185 0.5503 -0.0484 -0.0258 -0.0640 78 LEU H CA 477 C C . LEU A 64 ? 0.5797 0.5257 0.6384 -0.0438 -0.0538 -0.0746 78 LEU H C 478 O O . LEU A 64 ? 0.5846 0.5531 0.6464 -0.0240 -0.0620 -0.0711 78 LEU H O 479 C CB . LEU A 64 ? 0.5168 0.4361 0.5590 -0.0260 -0.0103 -0.0548 78 LEU H CB 480 C CG . LEU A 64 ? 0.6335 0.5554 0.6847 -0.0241 0.0145 -0.0410 78 LEU H CG 481 C CD1 . LEU A 64 ? 0.6529 0.5539 0.6711 -0.0036 0.0231 -0.0340 78 LEU H CD1 482 C CD2 . LEU A 64 ? 0.6314 0.6047 0.7221 -0.0216 0.0196 -0.0368 78 LEU H CD2 483 N N . LYS A 65 ? 0.5076 0.4285 0.5458 -0.0610 -0.0685 -0.0874 79 LYS H N 484 C CA . LYS A 65 ? 0.5709 0.4862 0.5785 -0.0550 -0.0939 -0.0957 79 LYS H CA 485 C C . LYS A 65 ? 0.6434 0.6127 0.6871 -0.0515 -0.1195 -0.0953 79 LYS H C 486 O O . LYS A 65 ? 0.7078 0.6751 0.7251 -0.0403 -0.1410 -0.0967 79 LYS H O 487 C CB . LYS A 65 ? 0.5604 0.4341 0.5315 -0.0752 -0.1031 -0.1121 79 LYS H CB 488 C CG . LYS A 65 ? 0.6921 0.5871 0.6960 -0.1048 -0.1205 -0.1239 79 LYS H CG 489 C CD . LYS A 65 ? 0.8296 0.6722 0.7898 -0.1261 -0.1270 -0.1438 79 LYS H CD 490 C CE . LYS A 65 ? 0.9151 0.7795 0.9106 -0.1605 -0.1473 -0.1577 79 LYS H CE 491 N NZ . LYS A 65 ? 0.9524 0.8780 0.9752 -0.1603 -0.1833 -0.1590 79 LYS H NZ 492 N N . ASP A 66 ? 0.6538 0.6724 0.7576 -0.0592 -0.1167 -0.0917 80 ASP H N 493 C CA . ASP A 66 ? 0.7261 0.8044 0.8749 -0.0525 -0.1398 -0.0903 80 ASP H CA 494 C C . ASP A 66 ? 0.7104 0.8241 0.8932 -0.0266 -0.1239 -0.0779 80 ASP H C 495 O O . ASP A 66 ? 0.7590 0.9216 0.9806 -0.0131 -0.1401 -0.0753 80 ASP H O 496 C CB . ASP A 66 ? 0.7824 0.9009 0.9833 -0.0834 -0.1524 -0.0985 80 ASP H CB 497 C CG . ASP A 66 ? 0.8962 0.9828 1.0615 -0.1089 -0.1769 -0.1155 80 ASP H CG 498 O OD1 . ASP A 66 ? 0.7763 0.8437 0.8948 -0.0978 -0.2004 -0.1199 80 ASP H OD1 499 O OD2 . ASP A 66 ? 0.9941 1.0708 1.1746 -0.1408 -0.1717 -0.1246 80 ASP H OD2 500 N N . LYS A 67 ? 0.6595 0.7498 0.8276 -0.0179 -0.0935 -0.0710 81 LYS H N 501 C CA . LYS A 67 ? 0.5602 0.6738 0.7473 0.0066 -0.0764 -0.0626 81 LYS H CA 502 C C . LYS A 67 ? 0.5299 0.6065 0.6704 0.0311 -0.0761 -0.0599 81 LYS H C 503 O O . LYS A 67 ? 0.6082 0.7015 0.7603 0.0547 -0.0767 -0.0570 81 LYS H O 504 C CB . LYS A 67 ? 0.5989 0.7132 0.7975 -0.0014 -0.0436 -0.0565 81 LYS H CB 505 C CG . LYS A 67 ? 0.6707 0.8136 0.9137 -0.0301 -0.0374 -0.0566 81 LYS H CG 506 C CD . LYS A 67 ? 0.5997 0.7259 0.8364 -0.0381 -0.0040 -0.0468 81 LYS H CD 507 C CE . LYS A 67 ? 0.4932 0.6434 0.7370 -0.0144 0.0182 -0.0392 81 LYS H CE 508 N NZ . LYS A 67 ? 0.5019 0.6636 0.7635 -0.0289 0.0490 -0.0282 81 LYS H NZ 509 N N . PHE A 68 ? 0.4081 0.4344 0.4987 0.0257 -0.0732 -0.0611 82 PHE H N 510 C CA . PHE A 68 ? 0.4171 0.4085 0.4672 0.0428 -0.0679 -0.0579 82 PHE H CA 511 C C . PHE A 68 ? 0.5001 0.4636 0.5125 0.0444 -0.0882 -0.0598 82 PHE H C 512 O O . PHE A 68 ? 0.4690 0.4230 0.4681 0.0287 -0.1003 -0.0657 82 PHE H O 513 C CB . PHE A 68 ? 0.3788 0.3403 0.4050 0.0372 -0.0460 -0.0555 82 PHE H CB 514 C CG . PHE A 68 ? 0.4945 0.4759 0.5426 0.0398 -0.0247 -0.0505 82 PHE H CG 515 C CD1 . PHE A 68 ? 0.5781 0.6023 0.6667 0.0451 -0.0216 -0.0499 82 PHE H CD1 516 C CD2 . PHE A 68 ? 0.5455 0.5049 0.5727 0.0388 -0.0074 -0.0453 82 PHE H CD2 517 C CE1 . PHE A 68 ? 0.5848 0.6260 0.6865 0.0477 0.0012 -0.0451 82 PHE H CE1 518 C CE2 . PHE A 68 ? 0.4482 0.4236 0.4861 0.0419 0.0113 -0.0392 82 PHE H CE2 519 C CZ . PHE A 68 ? 0.4427 0.4570 0.5148 0.0454 0.0171 -0.0394 82 PHE H CZ 520 N N . ILE A 69 ? 0.4374 0.3841 0.4287 0.0625 -0.0907 -0.0551 83 ILE H N 521 C CA . ILE A 69 ? 0.4483 0.3624 0.3963 0.0650 -0.1043 -0.0529 83 ILE H CA 522 C C . ILE A 69 ? 0.5337 0.4142 0.4529 0.0711 -0.0880 -0.0487 83 ILE H C 523 O O . ILE A 69 ? 0.4737 0.3575 0.4052 0.0830 -0.0795 -0.0466 83 ILE H O 524 C CB . ILE A 69 ? 0.4261 0.3534 0.3800 0.0806 -0.1283 -0.0476 83 ILE H CB 525 C CG1 . ILE A 69 ? 0.4332 0.4028 0.4215 0.0727 -0.1491 -0.0520 83 ILE H CG1 526 C CG2 . ILE A 69 ? 0.4610 0.3472 0.3609 0.0840 -0.1385 -0.0413 83 ILE H CG2 527 C CD1 . ILE A 69 ? 0.5079 0.5057 0.5201 0.0935 -0.1719 -0.0452 83 ILE H CD1 528 N N . ILE A 70 ? 0.5262 0.3757 0.4082 0.0622 -0.0832 -0.0490 84 ILE H N 529 C CA . ILE A 70 ? 0.5052 0.3283 0.3646 0.0647 -0.0687 -0.0446 84 ILE H CA 530 C C . ILE A 70 ? 0.5319 0.3286 0.3566 0.0696 -0.0783 -0.0372 84 ILE H C 531 O O . ILE A 70 ? 0.5288 0.3181 0.3294 0.0666 -0.0922 -0.0369 84 ILE H O 532 C CB . ILE A 70 ? 0.5105 0.3215 0.3584 0.0538 -0.0518 -0.0479 84 ILE H CB 533 C CG1 . ILE A 70 ? 0.4599 0.2912 0.3386 0.0510 -0.0414 -0.0506 84 ILE H CG1 534 C CG2 . ILE A 70 ? 0.5152 0.3078 0.3465 0.0553 -0.0385 -0.0427 84 ILE H CG2 535 C CD1 . ILE A 70 ? 0.4808 0.2981 0.3511 0.0434 -0.0269 -0.0527 84 ILE H CD1 536 N N . SER A 71 ? 0.5354 0.3153 0.3543 0.0759 -0.0717 -0.0311 85 SER H N 537 C CA . SER A 71 ? 0.5556 0.3032 0.3397 0.0788 -0.0763 -0.0206 85 SER H CA 538 C C . SER A 71 ? 0.6000 0.3288 0.3808 0.0740 -0.0593 -0.0175 85 SER H C 539 O O . SER A 71 ? 0.5350 0.2788 0.3411 0.0720 -0.0495 -0.0241 85 SER H O 540 C CB . SER A 71 ? 0.5838 0.3294 0.3712 0.0954 -0.0962 -0.0138 85 SER H CB 541 O OG . SER A 71 ? 0.5513 0.3025 0.3681 0.1064 -0.0919 -0.0166 85 SER H OG 542 N N . ARG A 72 ? 0.6063 0.3026 0.3547 0.0709 -0.0565 -0.0066 86 ARG H N 543 C CA . ARG A 72 ? 0.5909 0.2704 0.3393 0.0616 -0.0408 -0.0031 86 ARG H CA 544 C C . ARG A 72 ? 0.7232 0.3611 0.4412 0.0629 -0.0438 0.0117 86 ARG H C 545 O O . ARG A 72 ? 0.7380 0.3594 0.4239 0.0693 -0.0545 0.0216 86 ARG H O 546 C CB . ARG A 72 ? 0.5860 0.2746 0.3310 0.0478 -0.0217 -0.0046 86 ARG H CB 547 C CG . ARG A 72 ? 0.6033 0.2735 0.3058 0.0440 -0.0170 0.0026 86 ARG H CG 548 C CD . ARG A 72 ? 0.6187 0.3022 0.3227 0.0356 0.0043 -0.0025 86 ARG H CD 549 N NE . ARG A 72 ? 0.6044 0.2905 0.3245 0.0253 0.0231 0.0030 86 ARG H NE 550 C CZ . ARG A 72 ? 0.5657 0.2755 0.3088 0.0209 0.0411 -0.0011 86 ARG H CZ 551 N NH1 . ARG A 72 ? 0.6060 0.3247 0.3702 0.0099 0.0550 0.0044 86 ARG H NH1 552 N NH2 . ARG A 72 ? 0.5288 0.2533 0.2768 0.0273 0.0447 -0.0105 86 ARG H NH2 553 N N . ASP A 73 ? 0.5872 0.2058 0.3133 0.0558 -0.0353 0.0134 87 ASP H N 554 C CA . ASP A 73 ? 0.6425 0.2130 0.3417 0.0537 -0.0345 0.0286 87 ASP H CA 555 C C . ASP A 73 ? 0.8309 0.3935 0.5314 0.0299 -0.0132 0.0323 87 ASP H C 556 O O . ASP A 73 ? 0.7297 0.2931 0.4561 0.0200 -0.0089 0.0240 87 ASP H O 557 C CB . ASP A 73 ? 0.7444 0.2927 0.4561 0.0678 -0.0458 0.0253 87 ASP H CB 558 C CG . ASP A 73 ? 0.7871 0.2760 0.4674 0.0697 -0.0470 0.0433 87 ASP H CG 559 O OD1 . ASP A 73 ? 0.8676 0.3335 0.5183 0.0546 -0.0355 0.0589 87 ASP H OD1 560 O OD2 . ASP A 73 ? 0.8183 0.2883 0.5063 0.0860 -0.0567 0.0421 87 ASP H OD2 561 N N . ASN A 74 ? 0.7292 0.2585 0.3195 0.0454 -0.0029 0.0105 88 ASN H N 562 C CA . ASN A 74 ? 0.7416 0.2701 0.3268 0.0320 0.0151 0.0138 88 ASN H CA 563 C C . ASN A 74 ? 0.8096 0.3110 0.3924 0.0227 0.0228 0.0210 88 ASN H C 564 O O . ASN A 74 ? 0.8173 0.3302 0.4089 0.0049 0.0362 0.0184 88 ASN H O 565 C CB . ASN A 74 ? 0.7527 0.2766 0.3048 0.0300 0.0225 0.0206 88 ASN H CB 566 C CG . ASN A 74 ? 0.7949 0.3354 0.3478 0.0328 0.0278 0.0087 88 ASN H CG 567 O OD1 . ASN A 74 ? 0.7731 0.3329 0.3558 0.0368 0.0275 -0.0004 88 ASN H OD1 568 N ND2 . ASN A 74 ? 0.8067 0.3361 0.3243 0.0293 0.0369 0.0084 88 ASN H ND2 569 N N . ALA A 75 ? 0.7582 0.2261 0.3302 0.0333 0.0173 0.0322 89 ALA H N 570 C CA . ALA A 75 ? 0.7983 0.2253 0.3673 0.0249 0.0320 0.0386 89 ALA H CA 571 C C . ALA A 75 ? 0.7855 0.2118 0.3799 0.0116 0.0408 0.0177 89 ALA H C 572 O O . ALA A 75 ? 0.8348 0.2375 0.4251 -0.0113 0.0590 0.0123 89 ALA H O 573 C CB . ALA A 75 ? 0.8617 0.2530 0.4196 0.0466 0.0287 0.0616 89 ALA H CB 574 N N . LYS A 76 ? 0.7479 0.2008 0.3655 0.0214 0.0296 0.0044 90 LYS H N 575 C CA . LYS A 76 ? 0.7533 0.2118 0.3916 0.0077 0.0377 -0.0170 90 LYS H CA 576 C C . LYS A 76 ? 0.6906 0.2119 0.3473 -0.0069 0.0336 -0.0292 90 LYS H C 577 O O . LYS A 76 ? 0.6731 0.2140 0.3460 -0.0203 0.0374 -0.0466 90 LYS H O 578 C CB . LYS A 76 ? 0.7525 0.2048 0.4112 0.0306 0.0318 -0.0197 90 LYS H CB 579 C CG . LYS A 76 ? 0.8450 0.2633 0.5062 0.0486 0.0399 -0.0010 90 LYS H CG 580 C CD . LYS A 76 ? 1.0037 0.3822 0.6552 0.0279 0.0652 -0.0025 90 LYS H CD 581 C CE . LYS A 76 ? 1.0005 0.3734 0.6676 0.0067 0.0839 -0.0293 90 LYS H CE 582 N NZ . LYS A 76 ? 1.0563 0.4312 0.7527 0.0316 0.0847 -0.0302 90 LYS H NZ 583 N N . ASN A 77 ? 0.6594 0.2133 0.3140 -0.0038 0.0293 -0.0189 91 ASN H N 584 C CA . ASN A 77 ? 0.7023 0.3179 0.3787 -0.0119 0.0310 -0.0205 91 ASN H CA 585 C C . ASN A 77 ? 0.6800 0.3234 0.3816 -0.0023 0.0217 -0.0310 91 ASN H C 586 O O . ASN A 77 ? 0.6200 0.3128 0.3423 -0.0156 0.0247 -0.0354 91 ASN H O 587 C CB . ASN A 77 ? 0.6815 0.3284 0.3620 -0.0439 0.0437 -0.0225 91 ASN H CB 588 C CG . ASN A 77 ? 0.8308 0.4624 0.4905 -0.0548 0.0544 -0.0092 91 ASN H CG 589 O OD1 . ASN A 77 ? 0.8811 0.5098 0.5317 -0.0383 0.0552 0.0051 91 ASN H OD1 590 N ND2 . ASN A 77 ? 0.8680 0.4856 0.5168 -0.0856 0.0658 -0.0161 91 ASN H ND2 591 N N . THR A 78 ? 0.6175 0.2381 0.3179 0.0190 0.0099 -0.0327 92 THR H N 592 C CA . THR A 78 ? 0.5814 0.2247 0.3054 0.0279 0.0014 -0.0425 92 THR H CA 593 C C . THR A 78 ? 0.6325 0.2818 0.3576 0.0445 -0.0073 -0.0379 92 THR H C 594 O O . THR A 78 ? 0.6337 0.2570 0.3363 0.0516 -0.0124 -0.0321 92 THR H O 595 C CB . THR A 78 ? 0.6164 0.2286 0.3424 0.0337 -0.0013 -0.0522 92 THR H CB 596 O OG1 . THR A 78 ? 0.6579 0.2484 0.3754 0.0132 0.0140 -0.0613 92 THR H OG1 597 C CG2 . THR A 78 ? 0.6018 0.2450 0.3537 0.0395 -0.0072 -0.0633 92 THR H CG2 598 N N . LEU A 79 ? 0.5815 0.2667 0.3304 0.0471 -0.0069 -0.0405 93 LEU H N 599 C CA . LEU A 79 ? 0.5376 0.2248 0.2897 0.0574 -0.0109 -0.0413 93 LEU H CA 600 C C . LEU A 79 ? 0.5927 0.2931 0.3647 0.0632 -0.0233 -0.0505 93 LEU H C 601 O O . LEU A 79 ? 0.5485 0.2689 0.3386 0.0598 -0.0226 -0.0558 93 LEU H O 602 C CB . LEU A 79 ? 0.5449 0.2574 0.3120 0.0587 0.0061 -0.0325 93 LEU H CB 603 C CG . LEU A 79 ? 0.5305 0.2383 0.3031 0.0653 0.0116 -0.0353 93 LEU H CG 604 C CD1 . LEU A 79 ? 0.5637 0.2306 0.3008 0.0622 0.0162 -0.0410 93 LEU H CD1 605 C CD2 . LEU A 79 ? 0.4994 0.2377 0.3000 0.0718 0.0328 -0.0202 93 LEU H CD2 606 N N . TYR A 80 ? 0.5844 0.2785 0.3513 0.0689 -0.0338 -0.0535 94 TYR H N 607 C CA . TYR A 80 ? 0.5575 0.2697 0.3450 0.0754 -0.0460 -0.0593 94 TYR H CA 608 C C . TYR A 80 ? 0.5464 0.2749 0.3426 0.0723 -0.0471 -0.0638 94 TYR H C 609 O O . TYR A 80 ? 0.5466 0.2594 0.3226 0.0646 -0.0409 -0.0651 94 TYR H O 610 C CB . TYR A 80 ? 0.5548 0.2540 0.3324 0.0849 -0.0598 -0.0543 94 TYR H CB 611 C CG . TYR A 80 ? 0.6103 0.2809 0.3799 0.0893 -0.0535 -0.0491 94 TYR H CG 612 C CD1 . TYR A 80 ? 0.5995 0.2676 0.3868 0.0911 -0.0447 -0.0570 94 TYR H CD1 613 C CD2 . TYR A 80 ? 0.6325 0.2750 0.3738 0.0890 -0.0527 -0.0377 94 TYR H CD2 614 C CE1 . TYR A 80 ? 0.6387 0.2692 0.4152 0.0907 -0.0324 -0.0561 94 TYR H CE1 615 C CE2 . TYR A 80 ? 0.6717 0.2803 0.4055 0.0916 -0.0426 -0.0319 94 TYR H CE2 616 C CZ . TYR A 80 ? 0.6538 0.2527 0.4050 0.0914 -0.0310 -0.0424 94 TYR H CZ 617 O OH . TYR A 80 ? 0.7423 0.3051 0.4874 0.0876 -0.0141 -0.0400 94 TYR H OH 618 N N . LEU A 81 ? 0.5404 0.2968 0.3647 0.0757 -0.0516 -0.0680 95 LEU H N 619 C CA . LEU A 81 ? 0.5196 0.2916 0.3543 0.0703 -0.0533 -0.0728 95 LEU H CA 620 C C . LEU A 81 ? 0.5910 0.3895 0.4431 0.0766 -0.0707 -0.0747 95 LEU H C 621 O O . LEU A 81 ? 0.5617 0.3779 0.4372 0.0858 -0.0704 -0.0755 95 LEU H O 622 C CB . LEU A 81 ? 0.5007 0.2892 0.3588 0.0694 -0.0365 -0.0698 95 LEU H CB 623 C CG . LEU A 81 ? 0.5030 0.2963 0.3709 0.0613 -0.0306 -0.0740 95 LEU H CG 624 C CD1 . LEU A 81 ? 0.5068 0.2611 0.3439 0.0479 -0.0186 -0.0805 95 LEU H CD1 625 C CD2 . LEU A 81 ? 0.4464 0.2621 0.3442 0.0661 -0.0134 -0.0635 95 LEU H CD2 626 N N . GLN A 82 ? 0.4908 0.2977 0.3309 0.0701 -0.0842 -0.0749 96 GLN H N 627 C CA . GLN A 82 ? 0.5138 0.3596 0.3748 0.0773 -0.1009 -0.0707 96 GLN H CA 628 C C . GLN A 82 ? 0.5455 0.4190 0.4243 0.0629 -0.1001 -0.0794 96 GLN H C 629 O O . GLN A 82 ? 0.5967 0.4673 0.4565 0.0401 -0.0995 -0.0873 96 GLN H O 630 C CB . GLN A 82 ? 0.5069 0.3659 0.3478 0.0761 -0.1183 -0.0599 96 GLN H CB 631 C CG . GLN A 82 ? 0.5808 0.4134 0.4074 0.0933 -0.1180 -0.0457 96 GLN H CG 632 C CD . GLN A 82 ? 0.6137 0.4606 0.4113 0.0870 -0.1330 -0.0321 96 GLN H CD 633 O OE1 . GLN A 82 ? 0.7003 0.5152 0.4649 0.0803 -0.1279 -0.0312 96 GLN H OE1 634 N NE2 . GLN A 82 ? 0.5843 0.4886 0.3943 0.0875 -0.1517 -0.0194 96 GLN H NE2 635 N N . MET A 83 ? 0.4949 0.3926 0.4072 0.0729 -0.0973 -0.0796 97 MET H N 636 C CA . MET A 83 ? 0.5127 0.4388 0.4455 0.0602 -0.0954 -0.0850 97 MET H CA 637 C C . MET A 83 ? 0.5032 0.4810 0.4571 0.0638 -0.1137 -0.0796 97 MET H C 638 O O . MET A 83 ? 0.5287 0.5219 0.4990 0.0876 -0.1194 -0.0699 97 MET H O 639 C CB . MET A 83 ? 0.4635 0.3953 0.4206 0.0677 -0.0803 -0.0852 97 MET H CB 640 C CG . MET A 83 ? 0.4818 0.3826 0.4261 0.0705 -0.0642 -0.0824 97 MET H CG 641 S SD . MET A 83 ? 0.5378 0.4706 0.5103 0.0770 -0.0512 -0.0776 97 MET H SD 642 C CE . MET A 83 ? 0.4892 0.4454 0.4851 0.0674 -0.0446 -0.0746 97 MET H CE 643 N N . SER A 84 ? 0.4447 0.4493 0.3984 0.0394 -0.1198 -0.0849 98 SER H N 644 C CA . SER A 84 ? 0.4959 0.5662 0.4745 0.0393 -0.1378 -0.0765 98 SER H CA 645 C C . SER A 84 ? 0.4852 0.5791 0.4768 0.0113 -0.1328 -0.0872 98 SER H C 646 O O . SER A 84 ? 0.5278 0.5792 0.5024 -0.0097 -0.1145 -0.1004 98 SER H O 647 C CB . SER A 84 ? 0.5184 0.6184 0.4766 0.0315 -0.1585 -0.0662 98 SER H CB 648 O OG . SER A 84 ? 0.6229 0.7162 0.5469 -0.0103 -0.1586 -0.0823 98 SER H OG 649 N N . LYS A 85 ? 0.5180 0.6793 0.5425 0.0131 -0.1456 -0.0787 99 LYS H N 650 C CA . LYS A 85 ? 0.3907 0.5845 0.4325 -0.0148 -0.1419 -0.0868 99 LYS H CA 651 C C . LYS A 85 ? 0.4208 0.5679 0.4681 -0.0158 -0.1158 -0.0954 99 LYS H C 652 O O . LYS A 85 ? 0.5019 0.6274 0.5397 -0.0464 -0.1007 -0.1066 99 LYS H O 653 C CB . LYS A 85 ? 0.5483 0.7553 0.5597 -0.0624 -0.1494 -0.0993 99 LYS H CB 654 C CG . LYS A 85 ? 0.5539 0.8380 0.5664 -0.0656 -0.1789 -0.0839 99 LYS H CG 655 C CD . LYS A 85 ? 0.8088 1.1038 0.7771 -0.1194 -0.1862 -0.1004 99 LYS H CD 656 C CE . LYS A 85 ? 0.9299 1.1452 0.8474 -0.1233 -0.1746 -0.1130 99 LYS H CE 657 N NZ . LYS A 85 ? 0.9876 1.2151 0.8548 -0.1773 -0.1803 -0.1315 99 LYS H NZ 658 N N . VAL A 86 ? 0.3694 0.5027 0.4319 0.0169 -0.1077 -0.0886 100 VAL H N 659 C CA . VAL A 86 ? 0.4522 0.5508 0.5170 0.0178 -0.0843 -0.0900 100 VAL H CA 660 C C . VAL A 86 ? 0.3854 0.5206 0.4811 0.0076 -0.0763 -0.0878 100 VAL H C 661 O O . VAL A 86 ? 0.4292 0.6212 0.5506 0.0085 -0.0889 -0.0851 100 VAL H O 662 C CB . VAL A 86 ? 0.4595 0.5432 0.5259 0.0468 -0.0788 -0.0850 100 VAL H CB 663 C CG1 . VAL A 86 ? 0.4661 0.5082 0.5008 0.0530 -0.0833 -0.0864 100 VAL H CG1 664 C CG2 . VAL A 86 ? 0.4176 0.5459 0.5122 0.0685 -0.0853 -0.0821 100 VAL H CG2 665 N N . SER A 87 ? 0.4629 0.5676 0.5582 -0.0005 -0.0528 -0.0849 101 SER H N 666 C CA . SER A 87 ? 0.4879 0.6195 0.6108 -0.0100 -0.0401 -0.0789 101 SER H CA 667 C C . SER A 87 ? 0.4044 0.5236 0.5360 0.0071 -0.0188 -0.0632 101 SER H C 668 O O . SER A 87 ? 0.3787 0.4729 0.4953 0.0229 -0.0151 -0.0585 101 SER H O 669 C CB . SER A 87 ? 0.5211 0.6306 0.6342 -0.0484 -0.0280 -0.0879 101 SER H CB 670 O OG . SER A 87 ? 0.6521 0.6891 0.7381 -0.0557 -0.0030 -0.0894 101 SER H OG 671 N N . SER A 88 ? 0.4730 0.6181 0.6300 0.0024 -0.0048 -0.0520 102 SER H N 672 C CA . SER A 88 ? 0.5109 0.6682 0.6804 0.0197 0.0124 -0.0307 102 SER H CA 673 C C . SER A 88 ? 0.4608 0.5653 0.6151 0.0244 0.0353 -0.0160 102 SER H C 674 O O . SER A 88 ? 0.4508 0.5719 0.6081 0.0429 0.0416 0.0022 102 SER H O 675 C CB . SER A 88 ? 0.5466 0.7408 0.7453 0.0122 0.0256 -0.0172 102 SER H CB 676 O OG . SER A 88 ? 0.6818 0.8332 0.8796 -0.0107 0.0474 -0.0143 102 SER H OG 677 N N . GLU A 89 ? 0.5068 0.5516 0.6441 0.0065 0.0504 -0.0234 103 GLU H N 678 C CA . GLU A 89 ? 0.5528 0.5421 0.6772 0.0151 0.0785 -0.0084 103 GLU H CA 679 C C . GLU A 89 ? 0.4625 0.4379 0.5633 0.0287 0.0648 -0.0147 103 GLU H C 680 O O . GLU A 89 ? 0.5480 0.4857 0.6403 0.0395 0.0874 -0.0002 103 GLU H O 681 C CB . GLU A 89 ? 0.7138 0.6322 0.8218 -0.0113 0.1067 -0.0196 103 GLU H CB 682 C CG . GLU A 89 ? 0.8657 0.7652 0.9424 -0.0403 0.0863 -0.0554 103 GLU H CG 683 C CD . GLU A 89 ? 1.0463 0.9688 1.1307 -0.0743 0.0800 -0.0714 103 GLU H CD 684 O OE1 . GLU A 89 ? 0.9588 0.9327 1.0762 -0.0683 0.0757 -0.0580 103 GLU H OE1 685 O OE2 . GLU A 89 ? 1.1671 1.0620 1.2229 -0.1103 0.0795 -0.0977 103 GLU H OE2 686 N N . ASP A 90 ? 0.3931 0.3963 0.4851 0.0301 0.0323 -0.0331 104 ASP H N 687 C CA . ASP A 90 ? 0.3860 0.3780 0.4575 0.0429 0.0209 -0.0367 104 ASP H CA 688 C C . ASP A 90 ? 0.4131 0.4525 0.4977 0.0608 0.0163 -0.0230 104 ASP H C 689 O O . ASP A 90 ? 0.4426 0.4760 0.5114 0.0684 0.0104 -0.0243 104 ASP H O 690 C CB . ASP A 90 ? 0.3755 0.3655 0.4285 0.0355 -0.0067 -0.0602 104 ASP H CB 691 C CG . ASP A 90 ? 0.5114 0.4666 0.5442 0.0096 -0.0045 -0.0755 104 ASP H CG 692 O OD1 . ASP A 90 ? 0.5430 0.4448 0.5568 0.0011 0.0195 -0.0754 104 ASP H OD1 693 O OD2 . ASP A 90 ? 0.4770 0.4620 0.5127 -0.0037 -0.0245 -0.0873 104 ASP H OD2 694 N N . THR A 91 ? 0.3723 0.4612 0.4824 0.0635 0.0202 -0.0109 105 THR H N 695 C CA . THR A 91 ? 0.3064 0.4473 0.4239 0.0732 0.0196 0.0023 105 THR H CA 696 C C . THR A 91 ? 0.3022 0.4398 0.4202 0.0825 0.0392 0.0315 105 THR H C 697 O O . THR A 91 ? 0.4022 0.5261 0.5355 0.0875 0.0638 0.0565 105 THR H O 698 C CB . THR A 91 ? 0.2491 0.4477 0.3915 0.0717 0.0225 0.0115 105 THR H CB 699 O OG1 . THR A 91 ? 0.2757 0.4844 0.4201 0.0671 0.0056 -0.0143 105 THR H OG1 700 C CG2 . THR A 91 ? 0.2978 0.5599 0.4431 0.0752 0.0245 0.0269 105 THR H CG2 701 N N . ALA A 92 ? 0.4343 0.4072 0.3507 0.0037 0.0185 -0.0506 106 ALA H N 702 C CA . ALA A 92 ? 0.4306 0.3793 0.3248 0.0040 0.0133 -0.0393 106 ALA H CA 703 C C . ALA A 92 ? 0.4213 0.3625 0.3068 0.0137 0.0085 -0.0436 106 ALA H C 704 O O . ALA A 92 ? 0.4935 0.4410 0.3906 0.0213 0.0087 -0.0541 106 ALA H O 705 C CB . ALA A 92 ? 0.4401 0.3727 0.3377 0.0034 0.0054 -0.0352 106 ALA H CB 706 N N . LEU A 93 ? 0.4542 0.3817 0.3235 0.0135 0.0050 -0.0356 107 LEU H N 707 C CA . LEU A 93 ? 0.4172 0.3342 0.2835 0.0200 0.0002 -0.0395 107 LEU H CA 708 C C . LEU A 93 ? 0.4645 0.3637 0.3347 0.0249 -0.0059 -0.0349 107 LEU H C 709 O O . LEU A 93 ? 0.4401 0.3308 0.3063 0.0220 -0.0078 -0.0271 107 LEU H O 710 C CB . LEU A 93 ? 0.4265 0.3449 0.2780 0.0173 -0.0018 -0.0347 107 LEU H CB 711 C CG . LEU A 93 ? 0.6852 0.6019 0.5390 0.0199 -0.0043 -0.0447 107 LEU H CG 712 C CD1 . LEU A 93 ? 0.6977 0.6237 0.5588 0.0202 0.0018 -0.0622 107 LEU H CD1 713 C CD2 . LEU A 93 ? 0.7511 0.6786 0.5937 0.0175 -0.0094 -0.0411 107 LEU H CD2 714 N N . TYR A 94 ? 0.4152 0.3075 0.2921 0.0328 -0.0073 -0.0395 108 TYR H N 715 C CA . TYR A 94 ? 0.4103 0.2884 0.2849 0.0385 -0.0119 -0.0340 108 TYR H CA 716 C C . TYR A 94 ? 0.4557 0.3172 0.3252 0.0401 -0.0099 -0.0313 108 TYR H C 717 O O . TYR A 94 ? 0.4469 0.3051 0.3228 0.0412 -0.0055 -0.0368 108 TYR H O 718 C CB . TYR A 94 ? 0.4453 0.3279 0.3292 0.0483 -0.0148 -0.0359 108 TYR H CB 719 C CG . TYR A 94 ? 0.4484 0.3518 0.3418 0.0459 -0.0188 -0.0394 108 TYR H CG 720 C CD1 . TYR A 94 ? 0.4541 0.3763 0.3596 0.0402 -0.0132 -0.0463 108 TYR H CD1 721 C CD2 . TYR A 94 ? 0.4132 0.3205 0.3039 0.0475 -0.0272 -0.0381 108 TYR H CD2 722 C CE1 . TYR A 94 ? 0.4218 0.3651 0.3417 0.0354 -0.0144 -0.0508 108 TYR H CE1 723 C CE2 . TYR A 94 ? 0.4510 0.3813 0.3561 0.0426 -0.0312 -0.0452 108 TYR H CE2 724 C CZ . TYR A 94 ? 0.3959 0.3435 0.3180 0.0359 -0.0240 -0.0511 108 TYR H CZ 725 O OH . TYR A 94 ? 0.4357 0.4081 0.3778 0.0287 -0.0255 -0.0592 108 TYR H OH 726 N N . TYR A 95 ? 0.4697 0.3212 0.3312 0.0392 -0.0111 -0.0253 109 TYR H N 727 C CA . TYR A 95 ? 0.4258 0.2651 0.2863 0.0393 -0.0071 -0.0231 109 TYR H CA 728 C C . TYR A 95 ? 0.4456 0.2709 0.2970 0.0449 -0.0051 -0.0174 109 TYR H C 729 O O . TYR A 95 ? 0.4741 0.3006 0.3156 0.0466 -0.0091 -0.0159 109 TYR H O 730 C CB . TYR A 95 ? 0.4271 0.2685 0.2876 0.0351 -0.0076 -0.0207 109 TYR H CB 731 C CG . TYR A 95 ? 0.4250 0.2813 0.2880 0.0310 -0.0105 -0.0215 109 TYR H CG 732 C CD1 . TYR A 95 ? 0.4093 0.2761 0.2781 0.0289 -0.0109 -0.0268 109 TYR H CD1 733 C CD2 . TYR A 95 ? 0.4969 0.3578 0.3557 0.0286 -0.0122 -0.0167 109 TYR H CD2 734 C CE1 . TYR A 95 ? 0.4384 0.3237 0.3030 0.0263 -0.0152 -0.0265 109 TYR H CE1 735 C CE2 . TYR A 95 ? 0.4965 0.3706 0.3518 0.0259 -0.0135 -0.0129 109 TYR H CE2 736 C CZ . TYR A 95 ? 0.5540 0.4417 0.4093 0.0258 -0.0161 -0.0172 109 TYR H CZ 737 O OH . TYR A 95 ? 0.5818 0.4869 0.4273 0.0242 -0.0189 -0.0125 109 TYR H OH 738 N N . CYS A 96 ? 0.4181 0.2307 0.2722 0.0466 0.0022 -0.0149 110 CYS H N 739 C CA A CYS A 96 ? 0.4268 0.2255 0.2675 0.0507 0.0076 -0.0066 110 CYS H CA 740 C CA B CYS A 96 ? 0.4414 0.2394 0.2830 0.0507 0.0082 -0.0065 110 CYS H CA 741 C C . CYS A 96 ? 0.4873 0.2837 0.3327 0.0446 0.0150 -0.0081 110 CYS H C 742 O O . CYS A 96 ? 0.4530 0.2565 0.3156 0.0388 0.0163 -0.0142 110 CYS H O 743 C CB A CYS A 96 ? 0.5313 0.3132 0.3714 0.0574 0.0146 0.0018 110 CYS H CB 744 C CB B CYS A 96 ? 0.5188 0.3004 0.3646 0.0556 0.0159 -0.0003 110 CYS H CB 745 S SG A CYS A 96 ? 0.4530 0.2215 0.3170 0.0502 0.0279 -0.0032 110 CYS H SG 746 S SG B CYS A 96 ? 0.6609 0.4198 0.4928 0.0588 0.0296 0.0141 110 CYS H SG 747 N N . ALA A 97 ? 0.4603 0.2510 0.2906 0.0466 0.0193 -0.0043 111 ALA H N 748 C CA . ALA A 97 ? 0.4329 0.2247 0.2717 0.0423 0.0273 -0.0075 111 ALA H CA 749 C C . ALA A 97 ? 0.4766 0.2574 0.2981 0.0443 0.0399 -0.0020 111 ALA H C 750 O O . ALA A 97 ? 0.5397 0.3175 0.3352 0.0495 0.0372 0.0017 111 ALA H O 751 C CB . ALA A 97 ? 0.4793 0.2800 0.3218 0.0416 0.0206 -0.0134 111 ALA H CB 752 N N . ARG A 98 ? 0.4592 0.2381 0.2954 0.0397 0.0535 -0.0025 112 ARG H N 753 C CA . ARG A 98 ? 0.4849 0.2558 0.3059 0.0399 0.0700 0.0021 112 ARG H CA 754 C C . ARG A 98 ? 0.5460 0.3256 0.3654 0.0409 0.0716 -0.0079 112 ARG H C 755 O O . ARG A 98 ? 0.4995 0.2898 0.3437 0.0401 0.0660 -0.0161 112 ARG H O 756 C CB . ARG A 98 ? 0.4914 0.2587 0.3362 0.0324 0.0871 0.0037 112 ARG H CB 757 C CG . ARG A 98 ? 0.5259 0.2816 0.3526 0.0314 0.1091 0.0128 112 ARG H CG 758 C CD . ARG A 98 ? 0.6071 0.3615 0.4665 0.0207 0.1284 0.0120 112 ARG H CD 759 N NE . ARG A 98 ? 0.5113 0.2895 0.4056 0.0160 0.1306 -0.0033 112 ARG H NE 760 C CZ . ARG A 98 ? 0.5764 0.3635 0.5055 0.0059 0.1475 -0.0085 112 ARG H CZ 761 N NH1 . ARG A 98 ? 0.5914 0.3605 0.5244 -0.0028 0.1660 0.0003 112 ARG H NH1 762 N NH2 . ARG A 98 ? 0.5605 0.3747 0.5241 0.0049 0.1467 -0.0221 112 ARG H NH2 763 N N . TYR A 99 ? 0.5110 0.2858 0.3006 0.0437 0.0800 -0.0073 113 TYR H N 764 C CA . TYR A 99 ? 0.5177 0.2981 0.3089 0.0439 0.0881 -0.0200 113 TYR H CA 765 C C . TYR A 99 ? 0.5569 0.3396 0.3658 0.0401 0.1101 -0.0200 113 TYR H C 766 O O . TYR A 99 ? 0.5889 0.3639 0.3869 0.0372 0.1238 -0.0085 113 TYR H O 767 C CB . TYR A 99 ? 0.5480 0.3269 0.2978 0.0470 0.0886 -0.0247 113 TYR H CB 768 C CG . TYR A 99 ? 0.5486 0.3315 0.2894 0.0484 0.0690 -0.0334 113 TYR H CG 769 C CD1 . TYR A 99 ? 0.5616 0.3464 0.3280 0.0472 0.0543 -0.0335 113 TYR H CD1 770 C CD2 . TYR A 99 ? 0.6159 0.4037 0.3227 0.0495 0.0664 -0.0432 113 TYR H CD2 771 C CE1 . TYR A 99 ? 0.5338 0.3228 0.2958 0.0461 0.0398 -0.0417 113 TYR H CE1 772 C CE2 . TYR A 99 ? 0.6025 0.3972 0.3068 0.0481 0.0494 -0.0545 113 TYR H CE2 773 C CZ . TYR A 99 ? 0.5685 0.3627 0.3023 0.0459 0.0373 -0.0531 113 TYR H CZ 774 O OH . TYR A 99 ? 0.5788 0.3804 0.3136 0.0423 0.0236 -0.0647 113 TYR H OH 775 N N . GLY A 100 ? 0.5168 0.3099 0.3555 0.0408 0.1149 -0.0320 114 GLY H N 776 C CA . GLY A 100 ? 0.5690 0.3699 0.4280 0.0377 0.1375 -0.0354 114 GLY H CA 777 C C . GLY A 100 ? 0.6186 0.4124 0.4389 0.0370 0.1579 -0.0346 114 GLY H C 778 O O . GLY A 100 ? 0.5881 0.3754 0.3677 0.0406 0.1522 -0.0367 114 GLY H O 779 N N . SER A 101 ? 0.6094 0.4077 0.4422 0.0315 0.1825 -0.0323 115 SER H N 780 C CA . SER A 101 ? 0.7099 0.5031 0.5030 0.0302 0.2064 -0.0296 115 SER H CA 781 C C . SER A 101 ? 0.7231 0.5228 0.5009 0.0359 0.2100 -0.0499 115 SER H C 782 O O . SER A 101 ? 0.7304 0.5421 0.5480 0.0382 0.2166 -0.0663 115 SER H O 783 C CB . SER A 101 ? 0.8215 0.6209 0.6411 0.0213 0.2361 -0.0257 115 SER H CB 784 O OG . SER A 101 ? 0.9409 0.7270 0.7638 0.0139 0.2390 -0.0067 115 SER H OG 785 N N . TYR A 102 ? 0.7326 0.5258 0.4552 0.0389 0.2047 -0.0502 116 TYR H N 786 C CA . TYR A 102 ? 0.7587 0.5575 0.4589 0.0419 0.2109 -0.0735 116 TYR H CA 787 C C . TYR A 102 ? 0.7647 0.5637 0.5005 0.0459 0.1947 -0.0935 116 TYR H C 788 O O . TYR A 102 ? 0.8242 0.6261 0.5685 0.0482 0.2061 -0.1168 116 TYR H O 789 C CB . TYR A 102 ? 0.8457 0.6535 0.5469 0.0394 0.2456 -0.0826 116 TYR H CB 790 C CG . TYR A 102 ? 0.9625 0.7663 0.6343 0.0340 0.2654 -0.0582 116 TYR H CG 791 C CD1 . TYR A 102 ? 1.1201 0.9181 0.7234 0.0358 0.2642 -0.0442 116 TYR H CD1 792 C CD2 . TYR A 102 ? 0.9505 0.7569 0.6648 0.0272 0.2845 -0.0479 116 TYR H CD2 793 C CE1 . TYR A 102 ? 1.1794 0.9685 0.7544 0.0324 0.2837 -0.0166 116 TYR H CE1 794 C CE2 . TYR A 102 ? 1.0358 0.8329 0.7263 0.0206 0.3058 -0.0240 116 TYR H CE2 795 C CZ . TYR A 102 ? 1.1616 0.9471 0.7811 0.0239 0.3061 -0.0063 116 TYR H CZ 796 O OH . TYR A 102 ? 1.2907 1.0621 0.8851 0.0189 0.3288 0.0223 116 TYR H OH 797 N N . VAL A 103 ? 0.6506 0.4448 0.4071 0.0469 0.1700 -0.0845 117 VAL H N 798 C CA . VAL A 103 ? 0.6724 0.4625 0.4567 0.0502 0.1544 -0.0974 117 VAL H CA 799 C C . VAL A 103 ? 0.7679 0.5530 0.5375 0.0487 0.1283 -0.0872 117 VAL H C 800 O O . VAL A 103 ? 0.7684 0.5540 0.5260 0.0473 0.1213 -0.0685 117 VAL H O 801 C CB . VAL A 103 ? 0.7830 0.5783 0.6266 0.0546 0.1562 -0.0960 117 VAL H CB 802 C CG1 . VAL A 103 ? 0.6429 0.4434 0.5036 0.0521 0.1435 -0.0756 117 VAL H CG1 803 C CG2 . VAL A 103 ? 0.8639 0.6505 0.7346 0.0605 0.1462 -0.1076 117 VAL H CG2 804 N N . TYR A 104 ? 0.5925 0.3722 0.3652 0.0486 0.1160 -0.1009 118 TYR H N 805 C CA . TYR A 104 ? 0.5747 0.3531 0.3412 0.0462 0.0931 -0.0939 118 TYR H CA 806 C C . TYR A 104 ? 0.6898 0.4642 0.4969 0.0478 0.0831 -0.0841 118 TYR H C 807 O O . TYR A 104 ? 0.8853 0.6548 0.6999 0.0456 0.0703 -0.0866 118 TYR H O 808 C CB . TYR A 104 ? 0.5960 0.3735 0.3445 0.0421 0.0862 -0.1150 118 TYR H CB 809 C CG . TYR A 104 ? 0.6908 0.4798 0.3895 0.0407 0.0888 -0.1241 118 TYR H CG 810 C CD1 . TYR A 104 ? 0.7105 0.5081 0.3762 0.0438 0.0847 -0.1038 118 TYR H CD1 811 C CD2 . TYR A 104 ? 0.8169 0.6080 0.5006 0.0369 0.0956 -0.1531 118 TYR H CD2 812 C CE1 . TYR A 104 ? 0.8219 0.6320 0.4369 0.0449 0.0856 -0.1078 118 TYR H CE1 813 C CE2 . TYR A 104 ? 0.8749 0.6820 0.5072 0.0360 0.0963 -0.1623 118 TYR H CE2 814 C CZ . TYR A 104 ? 0.8998 0.7175 0.4959 0.0409 0.0905 -0.1375 118 TYR H CZ 815 O OH . TYR A 104 ? 0.9412 0.7769 0.4814 0.0423 0.0897 -0.1426 118 TYR H OH 816 N N . ALA A 105 ? 0.5480 0.3268 0.3817 0.0511 0.0893 -0.0739 119 ALA H N 817 C CA . ALA A 105 ? 0.4953 0.2768 0.3626 0.0537 0.0784 -0.0633 119 ALA H CA 818 C C . ALA A 105 ? 0.5109 0.3007 0.3742 0.0506 0.0712 -0.0485 119 ALA H C 819 O O . ALA A 105 ? 0.5369 0.3287 0.3867 0.0481 0.0809 -0.0447 119 ALA H O 820 C CB . ALA A 105 ? 0.4935 0.2805 0.3999 0.0609 0.0882 -0.0659 119 ALA H CB 821 N N . MET A 106 ? 0.4635 0.2564 0.3379 0.0503 0.0560 -0.0405 120 MET H N 822 C CA . MET A 106 ? 0.4763 0.2752 0.3466 0.0468 0.0491 -0.0309 120 MET H CA 823 C C . MET A 106 ? 0.5312 0.3447 0.4326 0.0469 0.0506 -0.0283 120 MET H C 824 O O . MET A 106 ? 0.4410 0.2647 0.3614 0.0496 0.0401 -0.0257 120 MET H O 825 C CB . MET A 106 ? 0.4877 0.2858 0.3505 0.0453 0.0337 -0.0273 120 MET H CB 826 C CG . MET A 106 ? 0.5271 0.3182 0.3635 0.0439 0.0308 -0.0324 120 MET H CG 827 S SD . MET A 106 ? 0.5241 0.3150 0.3645 0.0406 0.0182 -0.0344 120 MET H SD 828 C CE . MET A 106 ? 0.5348 0.3360 0.3722 0.0397 0.0087 -0.0253 120 MET H CE 829 N N . ASP A 107 ? 0.4368 0.2535 0.3437 0.0433 0.0639 -0.0289 121 ASP H N 830 C CA . ASP A 107 ? 0.4419 0.2781 0.3856 0.0419 0.0670 -0.0315 121 ASP H CA 831 C C . ASP A 107 ? 0.4187 0.2638 0.3722 0.0349 0.0596 -0.0302 121 ASP H C 832 O O . ASP A 107 ? 0.4078 0.2757 0.3939 0.0324 0.0574 -0.0354 121 ASP H O 833 C CB . ASP A 107 ? 0.4438 0.2826 0.3982 0.0396 0.0891 -0.0363 121 ASP H CB 834 C CG . ASP A 107 ? 0.4598 0.2869 0.3980 0.0307 0.1036 -0.0309 121 ASP H CG 835 O OD1 . ASP A 107 ? 0.4929 0.3044 0.4043 0.0294 0.0973 -0.0231 121 ASP H OD1 836 O OD2 . ASP A 107 ? 0.5216 0.3546 0.4766 0.0256 0.1233 -0.0335 121 ASP H OD2 837 N N . TYR A 108 ? 0.4176 0.2483 0.3471 0.0320 0.0552 -0.0255 122 TYR H N 838 C CA . TYR A 108 ? 0.4092 0.2469 0.3493 0.0261 0.0481 -0.0281 122 TYR H CA 839 C C . TYR A 108 ? 0.4130 0.2402 0.3288 0.0285 0.0373 -0.0239 122 TYR H C 840 O O . TYR A 108 ? 0.4527 0.2621 0.3446 0.0313 0.0409 -0.0176 122 TYR H O 841 C CB . TYR A 108 ? 0.4229 0.2526 0.3743 0.0171 0.0641 -0.0297 122 TYR H CB 842 C CG . TYR A 108 ? 0.5435 0.3843 0.5163 0.0089 0.0583 -0.0394 122 TYR H CG 843 C CD1 . TYR A 108 ? 0.5374 0.3636 0.4965 0.0084 0.0543 -0.0386 122 TYR H CD1 844 C CD2 . TYR A 108 ? 0.6415 0.5108 0.6503 0.0020 0.0564 -0.0522 122 TYR H CD2 845 C CE1 . TYR A 108 ? 0.5767 0.4131 0.5555 0.0001 0.0506 -0.0525 122 TYR H CE1 846 C CE2 . TYR A 108 ? 0.6709 0.5543 0.6984 -0.0072 0.0503 -0.0663 122 TYR H CE2 847 C CZ . TYR A 108 ? 0.6329 0.4981 0.6442 -0.0086 0.0484 -0.0673 122 TYR H CZ 848 O OH . TYR A 108 ? 0.7366 0.6158 0.7667 -0.0185 0.0441 -0.0858 122 TYR H OH 849 N N . TRP A 109 ? 0.3934 0.2356 0.3157 0.0279 0.0240 -0.0275 123 TRP H N 850 C CA . TRP A 109 ? 0.4453 0.2833 0.3503 0.0293 0.0152 -0.0257 123 TRP H CA 851 C C . TRP A 109 ? 0.4173 0.2604 0.3315 0.0236 0.0146 -0.0343 123 TRP H C 852 O O . TRP A 109 ? 0.4159 0.2782 0.3491 0.0181 0.0118 -0.0438 123 TRP H O 853 C CB . TRP A 109 ? 0.4229 0.2730 0.3239 0.0327 0.0035 -0.0227 123 TRP H CB 854 C CG . TRP A 109 ? 0.4378 0.2797 0.3340 0.0379 0.0044 -0.0169 123 TRP H CG 855 C CD1 . TRP A 109 ? 0.4257 0.2660 0.3332 0.0411 0.0112 -0.0172 123 TRP H CD1 856 C CD2 . TRP A 109 ? 0.4250 0.2595 0.3086 0.0395 0.0002 -0.0127 123 TRP H CD2 857 N NE1 . TRP A 109 ? 0.4241 0.2537 0.3257 0.0453 0.0114 -0.0147 123 TRP H NE1 858 C CE2 . TRP A 109 ? 0.4555 0.2806 0.3430 0.0432 0.0048 -0.0119 123 TRP H CE2 859 C CE3 . TRP A 109 ? 0.4560 0.2915 0.3288 0.0370 -0.0050 -0.0115 123 TRP H CE3 860 C CZ2 . TRP A 109 ? 0.4414 0.2553 0.3233 0.0432 0.0040 -0.0107 123 TRP H CZ2 861 C CZ3 . TRP A 109 ? 0.4636 0.2913 0.3316 0.0364 -0.0056 -0.0090 123 TRP H CZ3 862 C CH2 . TRP A 109 ? 0.4514 0.2669 0.3242 0.0388 -0.0012 -0.0090 123 TRP H CH2 863 N N . GLY A 110 ? 0.3960 0.2251 0.2989 0.0254 0.0161 -0.0328 124 GLY H N 864 C CA . GLY A 110 ? 0.4178 0.2488 0.3306 0.0211 0.0170 -0.0435 124 GLY H CA 865 C C . GLY A 110 ? 0.4436 0.2985 0.3541 0.0193 0.0059 -0.0516 124 GLY H C 866 O O . GLY A 110 ? 0.4292 0.2951 0.3289 0.0223 -0.0021 -0.0444 124 GLY H O 867 N N . PRO A 111 ? 0.3978 0.2598 0.3177 0.0139 0.0072 -0.0668 125 PRO H N 868 C CA . PRO A 111 ? 0.4288 0.3168 0.3407 0.0117 -0.0017 -0.0757 125 PRO H CA 869 C C . PRO A 111 ? 0.4742 0.3612 0.3689 0.0173 -0.0036 -0.0683 125 PRO H C 870 O O . PRO A 111 ? 0.4906 0.3985 0.3731 0.0159 -0.0094 -0.0689 125 PRO H O 871 C CB . PRO A 111 ? 0.4926 0.3852 0.4200 0.0036 0.0035 -0.0987 125 PRO H CB 872 C CG . PRO A 111 ? 0.5339 0.4012 0.4819 0.0005 0.0156 -0.1004 125 PRO H CG 873 C CD . PRO A 111 ? 0.4262 0.2723 0.3653 0.0084 0.0189 -0.0779 125 PRO H CD 874 N N . GLY A 112 ? 0.4446 0.3112 0.3386 0.0233 0.0014 -0.0615 126 GLY H N 875 C CA . GLY A 112 ? 0.4319 0.3022 0.3165 0.0278 -0.0004 -0.0567 126 GLY H CA 876 C C . GLY A 112 ? 0.4985 0.3703 0.3919 0.0299 0.0052 -0.0691 126 GLY H C 877 O O . GLY A 112 ? 0.5085 0.3829 0.4114 0.0256 0.0100 -0.0852 126 GLY H O 878 N N . THR A 113 ? 0.4551 0.3271 0.3491 0.0366 0.0051 -0.0642 127 THR H N 879 C CA . THR A 113 ? 0.4759 0.3535 0.3825 0.0412 0.0109 -0.0757 127 THR H CA 880 C C . THR A 113 ? 0.4444 0.3438 0.3473 0.0404 0.0092 -0.0739 127 THR H C 881 O O . THR A 113 ? 0.4424 0.3430 0.3406 0.0411 0.0034 -0.0619 127 THR H O 882 C CB . THR A 113 ? 0.4392 0.2946 0.3606 0.0536 0.0142 -0.0711 127 THR H CB 883 O OG1 . THR A 113 ? 0.5054 0.3653 0.4451 0.0600 0.0212 -0.0842 127 THR H OG1 884 C CG2 . THR A 113 ? 0.4269 0.2809 0.3416 0.0619 0.0060 -0.0541 127 THR H CG2 885 N N . SER A 114 ? 0.4720 0.3896 0.3778 0.0371 0.0160 -0.0880 128 SER H N 886 C CA . SER A 114 ? 0.4613 0.4020 0.3633 0.0328 0.0187 -0.0868 128 SER H CA 887 C C . SER A 114 ? 0.4463 0.3949 0.3718 0.0418 0.0211 -0.0897 128 SER H C 888 O O . SER A 114 ? 0.4599 0.4042 0.4042 0.0515 0.0258 -0.1002 128 SER H O 889 C CB . SER A 114 ? 0.4654 0.4263 0.3553 0.0247 0.0267 -0.1004 128 SER H CB 890 O OG . SER A 114 ? 0.5543 0.5373 0.4432 0.0206 0.0345 -0.1002 128 SER H OG 891 N N . VAL A 115 ? 0.3944 0.3552 0.3227 0.0390 0.0179 -0.0812 129 VAL H N 892 C CA . VAL A 115 ? 0.4118 0.3911 0.3665 0.0461 0.0184 -0.0856 129 VAL H CA 893 C C . VAL A 115 ? 0.4293 0.4352 0.3873 0.0339 0.0280 -0.0891 129 VAL H C 894 O O . VAL A 115 ? 0.4246 0.4283 0.3667 0.0218 0.0281 -0.0789 129 VAL H O 895 C CB . VAL A 115 ? 0.4865 0.4606 0.4469 0.0530 0.0047 -0.0749 129 VAL H CB 896 C CG1 . VAL A 115 ? 0.4116 0.4144 0.4028 0.0606 0.0023 -0.0810 129 VAL H CG1 897 C CG2 . VAL A 115 ? 0.4260 0.3724 0.3794 0.0650 -0.0013 -0.0680 129 VAL H CG2 898 N N . THR A 116 ? 0.4005 0.4302 0.3818 0.0376 0.0382 -0.1027 130 THR H N 899 C CA . THR A 116 ? 0.4055 0.4639 0.3952 0.0257 0.0513 -0.1069 130 THR H CA 900 C C . THR A 116 ? 0.4744 0.5595 0.5056 0.0328 0.0492 -0.1139 130 THR H C 901 O O . THR A 116 ? 0.4022 0.4951 0.4587 0.0491 0.0488 -0.1242 130 THR H O 902 C CB . THR A 116 ? 0.4576 0.5295 0.4378 0.0217 0.0691 -0.1207 130 THR H CB 903 O OG1 . THR A 116 ? 0.4721 0.5260 0.4144 0.0162 0.0674 -0.1159 130 THR H OG1 904 C CG2 . THR A 116 ? 0.4546 0.5556 0.4396 0.0078 0.0861 -0.1217 130 THR H CG2 905 N N . VAL A 117 ? 0.3957 0.4959 0.4379 0.0209 0.0483 -0.1093 131 VAL H N 906 C CA . VAL A 117 ? 0.3914 0.5265 0.4775 0.0246 0.0453 -0.1186 131 VAL H CA 907 C C . VAL A 117 ? 0.4008 0.5677 0.5058 0.0104 0.0678 -0.1282 131 VAL H C 908 O O . VAL A 117 ? 0.4190 0.5853 0.5140 -0.0098 0.0781 -0.1211 131 VAL H O 909 C CB . VAL A 117 ? 0.3839 0.5192 0.4755 0.0191 0.0287 -0.1125 131 VAL H CB 910 C CG1 . VAL A 117 ? 0.3813 0.5614 0.5217 0.0233 0.0226 -0.1253 131 VAL H CG1 911 C CG2 . VAL A 117 ? 0.3798 0.4837 0.4464 0.0322 0.0100 -0.1021 131 VAL H CG2 912 N N . SER A 118 ? 0.2809 0.4766 0.5253 -0.0251 0.0197 -0.0788 132 SER H N 913 C CA . SER A 118 ? 0.3582 0.5317 0.6289 -0.0239 0.0203 -0.0643 132 SER H CA 914 C C . SER A 118 ? 0.2935 0.4375 0.5323 -0.0106 0.0348 -0.0467 132 SER H C 915 O O . SER A 118 ? 0.4275 0.5437 0.6128 -0.0102 0.0452 -0.0400 132 SER H O 916 C CB . SER A 118 ? 0.4069 0.5597 0.6719 -0.0459 0.0288 -0.0575 132 SER H CB 917 O OG . SER A 118 ? 0.3836 0.5247 0.6629 -0.0468 0.0337 -0.0401 132 SER H OG 918 N N . SER A 119 ? 0.3008 0.4534 0.5746 -0.0008 0.0315 -0.0391 133 SER H N 919 C CA . SER A 119 ? 0.3287 0.4629 0.5799 0.0157 0.0440 -0.0286 133 SER H CA 920 C C . SER A 119 ? 0.3105 0.4295 0.5465 0.0075 0.0606 -0.0190 133 SER H C 921 O O . SER A 119 ? 0.3142 0.4279 0.5366 0.0251 0.0693 -0.0166 133 SER H O 922 C CB . SER A 119 ? 0.4155 0.5845 0.7145 0.0344 0.0316 -0.0289 133 SER H CB 923 O OG . SER A 119 ? 0.5043 0.7079 0.8623 0.0204 0.0188 -0.0242 133 SER H OG 924 N N . ALA A 120 ? 0.3381 0.4540 0.5758 -0.0160 0.0632 -0.0169 134 ALA H N 925 C CA . ALA A 120 ? 0.3600 0.4612 0.5744 -0.0235 0.0789 -0.0097 134 ALA H CA 926 C C . ALA A 120 ? 0.4138 0.4615 0.5647 -0.0164 0.0892 -0.0131 134 ALA H C 927 O O . ALA A 120 ? 0.3753 0.3964 0.4981 -0.0218 0.0849 -0.0150 134 ALA H O 928 C CB . ALA A 120 ? 0.3187 0.4255 0.5496 -0.0511 0.0748 -0.0062 134 ALA H CB 929 N N . LYS A 121 ? 0.3818 0.4178 0.5108 -0.0051 0.0996 -0.0139 135 LYS H N 930 C CA . LYS A 121 ? 0.4536 0.4309 0.5267 0.0072 0.0999 -0.0194 135 LYS H CA 931 C C . LYS A 121 ? 0.5020 0.4383 0.5405 -0.0176 0.1023 -0.0170 135 LYS H C 932 O O . LYS A 121 ? 0.4217 0.3761 0.4731 -0.0352 0.1093 -0.0156 135 LYS H O 933 C CB . LYS A 121 ? 0.5973 0.5829 0.6634 0.0356 0.1051 -0.0302 135 LYS H CB 934 C CG . LYS A 121 ? 0.6325 0.6630 0.7320 0.0626 0.1026 -0.0350 135 LYS H CG 935 C CD . LYS A 121 ? 0.7103 0.7693 0.8069 0.0917 0.1094 -0.0516 135 LYS H CD 936 C CE . LYS A 121 ? 0.7654 0.8748 0.8969 0.1203 0.1061 -0.0590 135 LYS H CE 937 N NZ . LYS A 121 ? 0.7809 0.9315 0.9105 0.1539 0.1120 -0.0823 135 LYS H NZ 938 N N . THR A 122 ? 0.4772 0.3578 0.4715 -0.0212 0.0934 -0.0139 136 THR H N 939 C CA . THR A 122 ? 0.5312 0.3670 0.4887 -0.0440 0.0927 -0.0107 136 THR H CA 940 C C . THR A 122 ? 0.5720 0.3888 0.5141 -0.0310 0.0965 -0.0216 136 THR H C 941 O O . THR A 122 ? 0.5389 0.3392 0.4684 0.0003 0.0902 -0.0329 136 THR H O 942 C CB . THR A 122 ? 0.5263 0.3042 0.4383 -0.0515 0.0768 0.0004 136 THR H CB 943 O OG1 . THR A 122 ? 0.5086 0.3184 0.4315 -0.0633 0.0749 0.0094 136 THR H OG1 944 C CG2 . THR A 122 ? 0.5248 0.2572 0.4014 -0.0801 0.0729 0.0072 136 THR H CG2 945 N N . THR A 123 ? 0.5009 0.3228 0.4435 -0.0524 0.1044 -0.0217 137 THR H N 946 C CA . THR A 123 ? 0.5153 0.3306 0.4430 -0.0422 0.1091 -0.0334 137 THR H CA 947 C C . THR A 123 ? 0.5211 0.2927 0.4201 -0.0681 0.1054 -0.0317 137 THR H C 948 O O . THR A 123 ? 0.5244 0.3095 0.4376 -0.0979 0.1084 -0.0226 137 THR H O 949 C CB . THR A 123 ? 0.5374 0.4257 0.5048 -0.0423 0.1234 -0.0327 137 THR H CB 950 O OG1 . THR A 123 ? 0.5472 0.4811 0.5482 -0.0245 0.1250 -0.0307 137 THR H OG1 951 C CG2 . THR A 123 ? 0.4869 0.3846 0.4347 -0.0271 0.1296 -0.0464 137 THR H CG2 952 N N . ALA A 124 ? 0.5563 0.2774 0.4174 -0.0542 0.0957 -0.0442 138 ALA H N 953 C CA . ALA A 124 ? 0.5822 0.2561 0.4153 -0.0778 0.0884 -0.0435 138 ALA H CA 954 C C . ALA A 124 ? 0.5870 0.3010 0.4343 -0.0893 0.1027 -0.0479 138 ALA H C 955 O O . ALA A 124 ? 0.5787 0.3448 0.4427 -0.0720 0.1142 -0.0548 138 ALA H O 956 C CB . ALA A 124 ? 0.7160 0.3161 0.5063 -0.0563 0.0652 -0.0580 138 ALA H CB 957 N N . PRO A 125 ? 0.6001 0.2954 0.4411 -0.1204 0.1005 -0.0421 139 PRO H N 958 C CA . PRO A 125 ? 0.5433 0.2692 0.3953 -0.1329 0.1090 -0.0449 139 PRO H CA 959 C C . PRO A 125 ? 0.5277 0.2283 0.3453 -0.1152 0.1049 -0.0626 139 PRO H C 960 O O . PRO A 125 ? 0.6203 0.2620 0.4042 -0.0998 0.0892 -0.0745 139 PRO H O 961 C CB . PRO A 125 ? 0.5398 0.2988 0.4120 -0.1414 0.0907 -0.0330 139 PRO H CB 962 C CG . PRO A 125 ? 0.5690 0.2901 0.4215 -0.1428 0.0768 -0.0271 139 PRO H CG 963 C CD . PRO A 125 ? 0.5953 0.2870 0.4363 -0.1345 0.0826 -0.0276 139 PRO H CD 964 N N . SER A 126 ? 0.5448 0.2915 0.3717 -0.1180 0.1150 -0.0641 140 SER H N 965 C CA . SER A 126 ? 0.6034 0.3360 0.3982 -0.1100 0.1115 -0.0806 140 SER H CA 966 C C . SER A 126 ? 0.5715 0.2884 0.3687 -0.1453 0.1074 -0.0722 140 SER H C 967 O O . SER A 126 ? 0.5976 0.3566 0.4313 -0.1641 0.1096 -0.0550 140 SER H O 968 C CB . SER A 126 ? 0.6235 0.4308 0.4223 -0.0912 0.1255 -0.0862 140 SER H CB 969 O OG . SER A 126 ? 0.6668 0.5013 0.4693 -0.0571 0.1298 -0.0972 140 SER H OG 970 N N . VAL A 127 ? 0.5915 0.2541 0.3551 -0.1470 0.0944 -0.0856 141 VAL H N 971 C CA . VAL A 127 ? 0.5951 0.2839 0.3813 -0.1578 0.0809 -0.0693 141 VAL H CA 972 C C . VAL A 127 ? 0.6156 0.2880 0.3694 -0.1619 0.0820 -0.0862 141 VAL H C 973 O O . VAL A 127 ? 0.6946 0.3232 0.4092 -0.1432 0.0736 -0.1106 141 VAL H O 974 C CB . VAL A 127 ? 0.6289 0.3010 0.4246 -0.1534 0.0596 -0.0602 141 VAL H CB 975 C CG1 . VAL A 127 ? 0.6414 0.3435 0.4608 -0.1600 0.0496 -0.0520 141 VAL H CG1 976 C CG2 . VAL A 127 ? 0.5987 0.2894 0.4171 -0.1526 0.0593 -0.0470 141 VAL H CG2 977 N N . TYR A 128 ? 0.5636 0.2774 0.3352 -0.1784 0.0856 -0.0750 142 TYR H N 978 C CA . TYR A 128 ? 0.6317 0.3369 0.3666 -0.1901 0.0885 -0.0908 142 TYR H CA 979 C C . TYR A 128 ? 0.6404 0.3579 0.3964 -0.1918 0.0708 -0.0768 142 TYR H C 980 O O . TYR A 128 ? 0.5783 0.3393 0.3802 -0.1897 0.0622 -0.0577 142 TYR H O 981 C CB . TYR A 128 ? 0.5626 0.3467 0.3144 -0.1923 0.1015 -0.0738 142 TYR H CB 982 C CG . TYR A 128 ? 0.6085 0.4370 0.3653 -0.1650 0.1158 -0.0752 142 TYR H CG 983 C CD1 . TYR A 128 ? 0.6517 0.4744 0.3751 -0.1266 0.1174 -0.1035 142 TYR H CD1 984 C CD2 . TYR A 128 ? 0.5754 0.4515 0.3734 -0.1753 0.1232 -0.0515 142 TYR H CD2 985 C CE1 . TYR A 128 ? 0.6557 0.5246 0.3873 -0.0987 0.1288 -0.1089 142 TYR H CE1 986 C CE2 . TYR A 128 ? 0.5367 0.4581 0.3425 -0.1510 0.1358 -0.0530 142 TYR H CE2 987 C CZ . TYR A 128 ? 0.6316 0.5519 0.4044 -0.1126 0.1398 -0.0821 142 TYR H CZ 988 O OH . TYR A 128 ? 0.6591 0.6295 0.4429 -0.0857 0.1506 -0.0876 142 TYR H OH 989 N N . PRO A 129 ? 0.6470 0.3300 0.3736 -0.1863 0.0604 -0.0922 143 PRO H N 990 C CA . PRO A 129 ? 0.6274 0.3221 0.3745 -0.1892 0.0456 -0.0825 143 PRO H CA 991 C C . PRO A 129 ? 0.6807 0.3980 0.4145 -0.2089 0.0489 -0.0790 143 PRO H C 992 O O . PRO A 129 ? 0.7219 0.4344 0.4050 -0.2239 0.0594 -0.0962 143 PRO H O 993 C CB . PRO A 129 ? 0.7700 0.4178 0.4908 -0.1763 0.0309 -0.1024 143 PRO H CB 994 C CG . PRO A 129 ? 0.8790 0.5034 0.5468 -0.1619 0.0386 -0.1324 143 PRO H CG 995 C CD . PRO A 129 ? 0.7977 0.4377 0.4756 -0.1645 0.0563 -0.1246 143 PRO H CD 996 N N . LEU A 130 ? 0.5773 0.3256 0.3535 -0.2063 0.0359 -0.0623 144 LEU H N 997 C CA . LEU A 130 ? 0.6303 0.3998 0.4032 -0.2226 0.0298 -0.0526 144 LEU H CA 998 C C . LEU A 130 ? 0.5930 0.3502 0.3669 -0.2200 0.0149 -0.0563 144 LEU H C 999 O O . LEU A 130 ? 0.5544 0.3242 0.3773 -0.2021 0.0040 -0.0539 144 LEU H O 1000 C CB . LEU A 130 ? 0.5674 0.3795 0.3986 -0.2124 0.0203 -0.0341 144 LEU H CB 1001 C CG . LEU A 130 ? 0.6237 0.4547 0.4714 -0.2080 0.0298 -0.0282 144 LEU H CG 1002 C CD1 . LEU A 130 ? 0.5579 0.4213 0.4684 -0.1929 0.0143 -0.0151 144 LEU H CD1 1003 C CD2 . LEU A 130 ? 0.6481 0.4856 0.4507 -0.2361 0.0462 -0.0259 144 LEU H CD2 1004 N N . ALA A 131 ? 0.5033 0.4108 0.3606 -0.2501 0.1083 -0.1298 145 ALA H N 1005 C CA . ALA A 131 ? 0.5317 0.4696 0.3860 -0.2629 0.1018 -0.1408 145 ALA H CA 1006 C C . ALA A 131 ? 0.5208 0.4693 0.3591 -0.2562 0.0906 -0.1354 145 ALA H C 1007 O O . ALA A 131 ? 0.5357 0.4612 0.3625 -0.2513 0.0942 -0.1299 145 ALA H O 1008 C CB . ALA A 131 ? 0.5963 0.5355 0.4489 -0.2720 0.1125 -0.1510 145 ALA H CB 1009 N N . PRO A 132 ? 0.5369 0.5196 0.3743 -0.2551 0.0771 -0.1366 146 PRO H N 1010 C CA . PRO A 132 ? 0.5569 0.5467 0.3746 -0.2464 0.0657 -0.1289 146 PRO H CA 1011 C C . PRO A 132 ? 0.5618 0.5440 0.3564 -0.2605 0.0699 -0.1381 146 PRO H C 1012 O O . PRO A 132 ? 0.5697 0.5532 0.3657 -0.2786 0.0786 -0.1532 146 PRO H O 1013 C CB . PRO A 132 ? 0.5400 0.5717 0.3665 -0.2410 0.0493 -0.1285 146 PRO H CB 1014 C CG . PRO A 132 ? 0.5358 0.5866 0.3816 -0.2569 0.0542 -0.1444 146 PRO H CG 1015 C CD . PRO A 132 ? 0.5231 0.5399 0.3778 -0.2611 0.0716 -0.1453 146 PRO H CD 1016 N N . VAL A 133 ? 0.5786 0.5501 0.3500 -0.2528 0.0656 -0.1295 147 VAL H N 1017 C CA . VAL A 133 ? 0.6033 0.5690 0.3475 -0.2659 0.0683 -0.1376 147 VAL H CA 1018 C C . VAL A 133 ? 0.6452 0.6402 0.3694 -0.2613 0.0496 -0.1337 147 VAL H C 1019 O O . VAL A 133 ? 0.6224 0.6354 0.3530 -0.2441 0.0358 -0.1216 147 VAL H O 1020 C CB . VAL A 133 ? 0.6462 0.5721 0.3743 -0.2638 0.0811 -0.1330 147 VAL H CB 1021 C CG1 . VAL A 133 ? 0.6400 0.5404 0.3884 -0.2687 0.0983 -0.1384 147 VAL H CG1 1022 C CG2 . VAL A 133 ? 0.6357 0.5523 0.3560 -0.2434 0.0747 -0.1153 147 VAL H CG2 1023 N N . CYS A 134 ? 0.6535 0.6529 0.3525 -0.2768 0.0493 -0.1442 148 CYS H N 1024 C CA . CYS A 134 ? 0.7513 0.7733 0.4218 -0.2736 0.0313 -0.1403 148 CYS H CA 1025 C C . CYS A 134 ? 0.6800 0.7525 0.3680 -0.2687 0.0111 -0.1420 148 CYS H C 1026 O O . CYS A 134 ? 0.7466 0.8421 0.4160 -0.2591 -0.0080 -0.1344 148 CYS H O 1027 C CB . CYS A 134 ? 0.8494 0.8474 0.4962 -0.2539 0.0279 -0.1205 148 CYS H CB 1028 S SG . CYS A 134 ? 0.8514 0.7938 0.4784 -0.2607 0.0519 -0.1209 148 CYS H SG 1029 N N . GLY A 135 ? 0.6778 0.7681 0.4009 -0.2754 0.0151 -0.1523 149 GLY H N 1030 C CA . GLY A 135 ? 0.8249 0.9646 0.5704 -0.2717 -0.0019 -0.1562 149 GLY H CA 1031 C C . GLY A 135 ? 0.8898 1.0390 0.6522 -0.2455 -0.0133 -0.1379 149 GLY H C 1032 O O . GLY A 135 ? 0.8936 1.0849 0.6666 -0.2365 -0.0323 -0.1366 149 GLY H O 1033 N N . ASP A 136 ? 0.8533 0.9658 0.6203 -0.2330 -0.0020 -0.1247 150 ASP H N 1034 C CA . ASP A 136 ? 0.9759 1.0923 0.7575 -0.2091 -0.0096 -0.1078 150 ASP H CA 1035 C C . ASP A 136 ? 1.0051 1.1544 0.8264 -0.2090 -0.0125 -0.1150 150 ASP H C 1036 O O . ASP A 136 ? 0.9132 1.0535 0.7534 -0.2217 0.0017 -0.1256 150 ASP H O 1037 C CB . ASP A 136 ? 1.0161 1.0861 0.7940 -0.1999 0.0054 -0.0957 150 ASP H CB 1038 C CG . ASP A 136 ? 1.0749 1.1203 0.8192 -0.1872 0.0032 -0.0807 150 ASP H CG 1039 O OD1 . ASP A 136 ? 1.0672 1.1193 0.7827 -0.1920 -0.0050 -0.0823 150 ASP H OD1 1040 O OD2 . ASP A 136 ? 1.0148 1.0332 0.7599 -0.1735 0.0105 -0.0680 150 ASP H OD2 1041 N N . THR A 137 ? 1.0521 1.2382 0.8857 -0.1940 -0.0303 -0.1091 151 THR H N 1042 C CA . THR A 137 ? 0.9703 1.1906 0.8438 -0.1922 -0.0333 -0.1160 151 THR H CA 1043 C C . THR A 137 ? 0.9144 1.1456 0.7994 -0.1651 -0.0445 -0.0983 151 THR H C 1044 O O . THR A 137 ? 0.9324 1.1581 0.7931 -0.1487 -0.0556 -0.0830 151 THR H O 1045 C CB . THR A 137 ? 0.9072 1.1786 0.7942 -0.2075 -0.0446 -0.1357 151 THR H CB 1046 O OG1 . THR A 137 ? 0.8247 1.1187 0.6869 -0.2008 -0.0650 -0.1310 151 THR H OG1 1047 C CG2 . THR A 137 ? 0.8752 1.1348 0.7590 -0.2361 -0.0282 -0.1559 151 THR H CG2 1048 N N . THR A 138 ? 0.8521 1.0960 0.7728 -0.1607 -0.0399 -0.1005 152 THR H N 1049 C CA . THR A 138 ? 0.8872 1.1493 0.8276 -0.1364 -0.0496 -0.0874 152 THR H CA 1050 C C . THR A 138 ? 0.9130 1.2353 0.8875 -0.1388 -0.0634 -0.1014 152 THR H C 1051 O O . THR A 138 ? 0.8570 1.1946 0.8656 -0.1479 -0.0544 -0.1143 152 THR H O 1052 C CB . THR A 138 ? 0.8147 1.0466 0.7711 -0.1294 -0.0328 -0.0800 152 THR H CB 1053 O OG1 . THR A 138 ? 0.8472 1.0282 0.7735 -0.1270 -0.0216 -0.0683 152 THR H OG1 1054 C CG2 . THR A 138 ? 0.7828 1.0344 0.7623 -0.1053 -0.0407 -0.0683 152 THR H CG2 1055 N N . GLY A 139 ? 0.9675 1.3243 0.9318 -0.1315 -0.0853 -0.0998 153 GLY H N 1056 C CA . GLY A 139 ? 0.9489 1.3692 0.9473 -0.1318 -0.1018 -0.1133 153 GLY H CA 1057 C C . GLY A 139 ? 0.8628 1.3049 0.8759 -0.1628 -0.0940 -0.1411 153 GLY H C 1058 O O . GLY A 139 ? 0.8647 1.2991 0.8500 -0.1814 -0.0930 -0.1504 153 GLY H O 1059 N N . SER A 140 ? 0.7543 1.2213 0.8110 -0.1695 -0.0861 -0.1555 154 SER H N 1060 C CA . SER A 140 ? 0.7038 1.1936 0.7787 -0.1988 -0.0766 -0.1834 154 SER H CA 1061 C C . SER A 140 ? 0.6372 1.0768 0.7060 -0.2176 -0.0478 -0.1893 154 SER H C 1062 O O . SER A 140 ? 0.6412 1.0901 0.7219 -0.2426 -0.0354 -0.2117 154 SER H O 1063 C CB . SER A 140 ? 0.7751 1.3240 0.9023 -0.1973 -0.0836 -0.1985 154 SER H CB 1064 O OG . SER A 140 ? 0.7978 1.3307 0.9509 -0.1847 -0.0710 -0.1903 154 SER H OG 1065 N N . SER A 141 ? 0.5625 0.9492 0.6127 -0.2062 -0.0366 -0.1704 155 SER H N 1066 C CA . SER A 141 ? 0.5064 0.8464 0.5504 -0.2208 -0.0118 -0.1739 155 SER H CA 1067 C C . SER A 141 ? 0.6023 0.8918 0.6054 -0.2202 -0.0061 -0.1610 155 SER H C 1068 O O . SER A 141 ? 0.5624 0.8467 0.5424 -0.2059 -0.0188 -0.1466 155 SER H O 1069 C CB . SER A 141 ? 0.6511 0.9770 0.7182 -0.2103 -0.0006 -0.1668 155 SER H CB 1070 O OG . SER A 141 ? 0.8251 1.1483 0.8907 -0.1836 -0.0113 -0.1460 155 SER H OG 1071 N N . VAL A 142 ? 0.5050 0.7572 0.4995 -0.2363 0.0139 -0.1671 156 VAL H N 1072 C CA . VAL A 142 ? 0.4975 0.7007 0.4603 -0.2367 0.0225 -0.1571 156 VAL H CA 1073 C C . VAL A 142 ? 0.5805 0.7449 0.5473 -0.2325 0.0382 -0.1489 156 VAL H C 1074 O O . VAL A 142 ? 0.4839 0.6525 0.4718 -0.2389 0.0479 -0.1567 156 VAL H O 1075 C CB . VAL A 142 ? 0.5106 0.7042 0.4570 -0.2598 0.0313 -0.1724 156 VAL H CB 1076 C CG1 . VAL A 142 ? 0.5093 0.7006 0.4732 -0.2795 0.0488 -0.1898 156 VAL H CG1 1077 C CG2 . VAL A 142 ? 0.5901 0.7364 0.5069 -0.2583 0.0394 -0.1622 156 VAL H CG2 1078 N N . THR A 143 ? 0.4791 0.6060 0.4248 -0.2224 0.0411 -0.1340 157 THR H N 1079 C CA . THR A 143 ? 0.4663 0.5567 0.4123 -0.2180 0.0539 -0.1258 157 THR H CA 1080 C C . THR A 143 ? 0.5814 0.6340 0.5069 -0.2274 0.0649 -0.1266 157 THR H C 1081 O O . THR A 143 ? 0.5092 0.5528 0.4156 -0.2264 0.0612 -0.1235 157 THR H O 1082 C CB . THR A 143 ? 0.4599 0.5418 0.4042 -0.1966 0.0483 -0.1081 157 THR H CB 1083 O OG1 . THR A 143 ? 0.4571 0.5730 0.4246 -0.1871 0.0401 -0.1076 157 THR H OG1 1084 C CG2 . THR A 143 ? 0.4530 0.4977 0.3946 -0.1938 0.0608 -0.1009 157 THR H CG2 1085 N N . LEU A 144 ? 0.4673 0.4981 0.3967 -0.2368 0.0790 -0.1316 158 LEU H N 1086 C CA . LEU A 144 ? 0.4717 0.4648 0.3859 -0.2428 0.0902 -0.1309 158 LEU H CA 1087 C C . LEU A 144 ? 0.5084 0.4727 0.4215 -0.2322 0.0952 -0.1190 158 LEU H C 1088 O O . LEU A 144 ? 0.4679 0.4400 0.3916 -0.2243 0.0931 -0.1138 158 LEU H O 1089 C CB . LEU A 144 ? 0.4832 0.4712 0.3994 -0.2623 0.1032 -0.1462 158 LEU H CB 1090 C CG . LEU A 144 ? 0.4971 0.5203 0.4195 -0.2766 0.0998 -0.1625 158 LEU H CG 1091 C CD1 . LEU A 144 ? 0.5770 0.5916 0.5006 -0.2823 0.1154 -0.1706 158 LEU H CD1 1092 C CD2 . LEU A 144 ? 0.5027 0.5307 0.4083 -0.2771 0.0918 -0.1626 158 LEU H CD2 1093 N N . GLY A 145 ? 0.5003 0.4323 0.4013 -0.2322 0.1019 -0.1152 159 GLY H N 1094 C CA . GLY A 145 ? 0.4942 0.4020 0.3936 -0.2225 0.1047 -0.1048 159 GLY H CA 1095 C C . GLY A 145 ? 0.5322 0.4113 0.4237 -0.2199 0.1126 -0.1024 159 GLY H C 1096 O O . GLY A 145 ? 0.4905 0.3656 0.3778 -0.2231 0.1172 -0.1074 159 GLY H O 1097 N N . CYS A 146 ? 0.4755 0.3376 0.3653 -0.2103 0.1130 -0.0934 160 CYS H N 1098 C CA . CYS A 146 ? 0.4736 0.3120 0.3572 -0.2028 0.1169 -0.0885 160 CYS H CA 1099 C C . CYS A 146 ? 0.5499 0.3771 0.4322 -0.1926 0.1117 -0.0794 160 CYS H C 1100 O O . CYS A 146 ? 0.4995 0.3299 0.3830 -0.1908 0.1093 -0.0757 160 CYS H O 1101 C CB . CYS A 146 ? 0.5279 0.3573 0.4082 -0.2051 0.1240 -0.0894 160 CYS H CB 1102 S SG . CYS A 146 ? 0.6945 0.4932 0.5648 -0.1995 0.1306 -0.0847 160 CYS H SG 1103 N N . LEU A 147 ? 0.4703 0.2855 0.3518 -0.1865 0.1110 -0.0770 161 LEU H N 1104 C CA . LEU A 147 ? 0.4664 0.2740 0.3493 -0.1780 0.1063 -0.0710 161 LEU H CA 1105 C C . LEU A 147 ? 0.5446 0.3327 0.4258 -0.1726 0.1071 -0.0669 161 LEU H C 1106 O O . LEU A 147 ? 0.5314 0.3101 0.4137 -0.1724 0.1112 -0.0688 161 LEU H O 1107 C CB . LEU A 147 ? 0.4784 0.2903 0.3645 -0.1763 0.1051 -0.0732 161 LEU H CB 1108 C CG . LEU A 147 ? 0.4406 0.2468 0.3308 -0.1684 0.1021 -0.0697 161 LEU H CG 1109 C CD1 . LEU A 147 ? 0.4507 0.2614 0.3394 -0.1671 0.0994 -0.0660 161 LEU H CD1 1110 C CD2 . LEU A 147 ? 0.4892 0.2973 0.3816 -0.1677 0.1042 -0.0735 161 LEU H CD2 1111 N N . VAL A 148 ? 0.4856 0.2659 0.3627 -0.1692 0.1037 -0.0614 162 VAL H N 1112 C CA . VAL A 148 ? 0.5428 0.3012 0.4139 -0.1656 0.1030 -0.0565 162 VAL H CA 1113 C C . VAL A 148 ? 0.6294 0.3860 0.5056 -0.1605 0.0965 -0.0549 162 VAL H C 1114 O O . VAL A 148 ? 0.5466 0.3115 0.4215 -0.1607 0.0934 -0.0541 162 VAL H O 1115 C CB . VAL A 148 ? 0.5483 0.2960 0.4050 -0.1686 0.1051 -0.0525 162 VAL H CB 1116 C CG1 . VAL A 148 ? 0.5926 0.3113 0.4368 -0.1654 0.1046 -0.0461 162 VAL H CG1 1117 C CG2 . VAL A 148 ? 0.5284 0.2828 0.3836 -0.1751 0.1128 -0.0572 162 VAL H CG2 1118 N N . LYS A 149 ? 0.4804 0.2263 0.3639 -0.1565 0.0958 -0.0558 163 LYS H N 1119 C CA . LYS A 149 ? 0.4716 0.2264 0.3671 -0.1493 0.0894 -0.0571 163 LYS H CA 1120 C C . LYS A 149 ? 0.4852 0.2302 0.3844 -0.1393 0.0828 -0.0530 163 LYS H C 1121 O O . LYS A 149 ? 0.5535 0.2812 0.4491 -0.1369 0.0856 -0.0498 163 LYS H O 1122 C CB . LYS A 149 ? 0.5052 0.2684 0.4142 -0.1512 0.0941 -0.0648 163 LYS H CB 1123 C CG . LYS A 149 ? 0.5471 0.3283 0.4552 -0.1528 0.0945 -0.0663 163 LYS H CG 1124 C CD . LYS A 149 ? 0.5048 0.2938 0.4212 -0.1518 0.0987 -0.0717 163 LYS H CD 1125 C CE . LYS A 149 ? 0.5049 0.2933 0.4362 -0.1476 0.0984 -0.0764 163 LYS H CE 1126 N NZ . LYS A 149 ? 0.5600 0.3530 0.4918 -0.1469 0.0950 -0.0765 163 LYS H NZ 1127 N N . GLY A 150 ? 0.4795 0.2358 0.3860 -0.1332 0.0742 -0.0535 164 GLY H N 1128 C CA . GLY A 150 ? 0.5916 0.3471 0.5088 -0.1221 0.0655 -0.0519 164 GLY H CA 1129 C C . GLY A 150 ? 0.5989 0.3403 0.4989 -0.1152 0.0573 -0.0416 164 GLY H C 1130 O O . GLY A 150 ? 0.5387 0.2731 0.4455 -0.1043 0.0514 -0.0379 164 GLY H O 1131 N N . TYR A 151 ? 0.5205 0.2564 0.3978 -0.1208 0.0571 -0.0367 165 TYR H N 1132 C CA . TYR A 151 ? 0.5628 0.2799 0.4173 -0.1155 0.0512 -0.0264 165 TYR H CA 1133 C C . TYR A 151 ? 0.5539 0.2810 0.3973 -0.1144 0.0401 -0.0246 165 TYR H C 1134 O O . TYR A 151 ? 0.5335 0.2796 0.3843 -0.1204 0.0403 -0.0317 165 TYR H O 1135 C CB . TYR A 151 ? 0.5636 0.2588 0.3958 -0.1245 0.0628 -0.0223 165 TYR H CB 1136 C CG . TYR A 151 ? 0.5985 0.3020 0.4217 -0.1365 0.0685 -0.0258 165 TYR H CG 1137 C CD1 . TYR A 151 ? 0.5779 0.2956 0.4147 -0.1448 0.0769 -0.0337 165 TYR H CD1 1138 C CD2 . TYR A 151 ? 0.6031 0.2996 0.4037 -0.1392 0.0658 -0.0212 165 TYR H CD2 1139 C CE1 . TYR A 151 ? 0.5605 0.2869 0.3924 -0.1534 0.0817 -0.0363 165 TYR H CE1 1140 C CE2 . TYR A 151 ? 0.5897 0.2937 0.3855 -0.1498 0.0728 -0.0252 165 TYR H CE2 1141 C CZ . TYR A 151 ? 0.5749 0.2944 0.3882 -0.1559 0.0805 -0.0325 165 TYR H CZ 1142 O OH . TYR A 151 ? 0.5578 0.2860 0.3698 -0.1641 0.0870 -0.0359 165 TYR H OH 1143 N N . PHE A 152 ? 0.4441 0.3132 0.3543 -0.0990 0.0726 -0.0559 166 PHE H N 1144 C CA . PHE A 152 ? 0.4246 0.2935 0.3455 -0.0942 0.0601 -0.0611 166 PHE H CA 1145 C C . PHE A 152 ? 0.4769 0.3262 0.3693 -0.0809 0.0609 -0.0673 166 PHE H C 1146 O O . PHE A 152 ? 0.5143 0.3557 0.3896 -0.0726 0.0670 -0.0676 166 PHE H O 1147 C CB . PHE A 152 ? 0.4246 0.3172 0.3786 -0.0926 0.0505 -0.0592 166 PHE H CB 1148 C CG . PHE A 152 ? 0.4389 0.3291 0.4067 -0.0890 0.0327 -0.0661 166 PHE H CG 1149 C CD1 . PHE A 152 ? 0.4233 0.3126 0.4093 -0.0989 0.0209 -0.0654 166 PHE H CD1 1150 C CD2 . PHE A 152 ? 0.4459 0.3315 0.4050 -0.0734 0.0258 -0.0745 166 PHE H CD2 1151 C CE1 . PHE A 152 ? 0.4721 0.3542 0.4667 -0.0925 0.0009 -0.0744 166 PHE H CE1 1152 C CE2 . PHE A 152 ? 0.4730 0.3546 0.4416 -0.0671 0.0068 -0.0832 166 PHE H CE2 1153 C CZ . PHE A 152 ? 0.5235 0.4024 0.5094 -0.0763 -0.0065 -0.0839 166 PHE H CZ 1154 N N . PRO A 153 ? 0.4810 0.3222 0.3658 -0.0766 0.0544 -0.0718 167 PRO H N 1155 C CA . PRO A 153 ? 0.4369 0.2832 0.3342 -0.0809 0.0454 -0.0740 167 PRO H CA 1156 C C . PRO A 153 ? 0.4554 0.2973 0.3392 -0.0906 0.0543 -0.0697 167 PRO H C 1157 O O . PRO A 153 ? 0.4807 0.3141 0.3478 -0.0967 0.0660 -0.0647 167 PRO H O 1158 C CB . PRO A 153 ? 0.5250 0.3659 0.4113 -0.0639 0.0353 -0.0822 167 PRO H CB 1159 C CG . PRO A 153 ? 0.5157 0.3429 0.3715 -0.0571 0.0470 -0.0792 167 PRO H CG 1160 C CD . PRO A 153 ? 0.4851 0.3108 0.3433 -0.0625 0.0550 -0.0751 167 PRO H CD 1161 N N . GLU A 154 ? 0.5014 0.3484 0.3915 -0.0908 0.0466 -0.0723 168 GLU H N 1162 C CA . GLU A 154 ? 0.4754 0.3241 0.3510 -0.0953 0.0539 -0.0691 168 GLU H CA 1163 C C . GLU A 154 ? 0.5005 0.3452 0.3510 -0.0846 0.0590 -0.0682 168 GLU H C 1164 O O . GLU A 154 ? 0.5508 0.3914 0.3960 -0.0699 0.0525 -0.0734 168 GLU H O 1165 C CB . GLU A 154 ? 0.5125 0.3691 0.3992 -0.0932 0.0429 -0.0734 168 GLU H CB 1166 C CG . GLU A 154 ? 0.5376 0.3982 0.4408 -0.1083 0.0440 -0.0685 168 GLU H CG 1167 C CD . GLU A 154 ? 0.5658 0.4329 0.4572 -0.1174 0.0559 -0.0631 168 GLU H CD 1168 O OE1 . GLU A 154 ? 0.5887 0.4527 0.4746 -0.1282 0.0671 -0.0574 168 GLU H OE1 1169 O OE2 . GLU A 154 ? 0.5823 0.4585 0.4695 -0.1123 0.0524 -0.0653 168 GLU H OE2 1170 N N . PRO A 155 ? 0.5324 0.3802 0.3685 -0.0922 0.0697 -0.0602 169 PRO H N 1171 C CA . PRO A 155 ? 0.5129 0.3681 0.3546 -0.1084 0.0756 -0.0550 169 PRO H CA 1172 C C . PRO A 155 ? 0.6001 0.4418 0.4345 -0.1241 0.0848 -0.0484 169 PRO H C 1173 O O . PRO A 155 ? 0.5937 0.4187 0.4118 -0.1239 0.0889 -0.0446 169 PRO H O 1174 C CB . PRO A 155 ? 0.5424 0.4158 0.3740 -0.1043 0.0790 -0.0504 169 PRO H CB 1175 C CG . PRO A 155 ? 0.6369 0.5039 0.4492 -0.0949 0.0830 -0.0458 169 PRO H CG 1176 C CD . PRO A 155 ? 0.5548 0.4054 0.3694 -0.0831 0.0747 -0.0550 169 PRO H CD 1177 N N . VAL A 156 ? 0.5736 0.4199 0.4179 -0.1359 0.0860 -0.0477 170 VAL H N 1178 C CA . VAL A 156 ? 0.5579 0.3937 0.3935 -0.1505 0.0920 -0.0428 170 VAL H CA 1179 C C . VAL A 156 ? 0.5666 0.4186 0.4021 -0.1610 0.0947 -0.0369 170 VAL H C 1180 O O . VAL A 156 ? 0.6537 0.5274 0.5002 -0.1571 0.0921 -0.0388 170 VAL H O 1181 C CB . VAL A 156 ? 0.5738 0.4078 0.4186 -0.1542 0.0914 -0.0459 170 VAL H CB 1182 C CG1 . VAL A 156 ? 0.6146 0.4470 0.4541 -0.1681 0.0940 -0.0434 170 VAL H CG1 1183 C CG2 . VAL A 156 ? 0.5533 0.3717 0.3913 -0.1466 0.0920 -0.0485 170 VAL H CG2 1184 N N . THR A 157 ? 0.5591 0.4009 0.3827 -0.1740 0.0984 -0.0294 171 THR H N 1185 C CA . THR A 157 ? 0.5339 0.3947 0.3615 -0.1880 0.1005 -0.0217 171 THR H CA 1186 C C . THR A 157 ? 0.5657 0.4140 0.3928 -0.2029 0.0980 -0.0234 171 THR H C 1187 O O . THR A 157 ? 0.5907 0.4096 0.4046 -0.2063 0.0951 -0.0241 171 THR H O 1188 C CB . THR A 157 ? 0.5797 0.4421 0.3975 -0.1950 0.1045 -0.0084 171 THR H CB 1189 O OG1 . THR A 157 ? 0.6262 0.5048 0.4417 -0.1773 0.1069 -0.0073 171 THR H OG1 1190 C CG2 . THR A 157 ? 0.6459 0.5344 0.4728 -0.2124 0.1064 0.0019 171 THR H CG2 1191 N N . LEU A 158 ? 0.4906 0.3614 0.3302 -0.2067 0.0967 -0.0252 172 LEU H N 1192 C CA . LEU A 158 ? 0.5013 0.3683 0.3419 -0.2110 0.0903 -0.0284 172 LEU H CA 1193 C C . LEU A 158 ? 0.4952 0.3865 0.3446 -0.2219 0.0875 -0.0214 172 LEU H C 1194 O O . LEU A 158 ? 0.5717 0.4946 0.4318 -0.2221 0.0913 -0.0183 172 LEU H O 1195 C CB . LEU A 158 ? 0.4703 0.3428 0.3179 -0.2041 0.0901 -0.0359 172 LEU H CB 1196 C CG . LEU A 158 ? 0.5409 0.4061 0.3836 -0.2074 0.0859 -0.0398 172 LEU H CG 1197 C CD1 . LEU A 158 ? 0.5621 0.4253 0.4072 -0.1998 0.0887 -0.0441 172 LEU H CD1 1198 C CD2 . LEU A 158 ? 0.5253 0.4133 0.3761 -0.2158 0.0823 -0.0380 172 LEU H CD2 1199 N N . THR A 159 ? 0.5276 0.4051 0.3722 -0.2317 0.0803 -0.0190 173 THR H N 1200 C CA . THR A 159 ? 0.4817 0.3824 0.3380 -0.2443 0.0756 -0.0125 173 THR H CA 1201 C C . THR A 159 ? 0.4951 0.3787 0.3456 -0.2498 0.0664 -0.0197 173 THR H C 1202 O O . THR A 159 ? 0.5494 0.4033 0.3845 -0.2436 0.0648 -0.0286 173 THR H O 1203 C CB . THR A 159 ? 0.5028 0.4063 0.3626 -0.2557 0.0740 0.0020 173 THR H CB 1204 O OG1 . THR A 159 ? 0.6090 0.4693 0.4526 -0.2588 0.0676 0.0019 173 THR H OG1 1205 C CG2 . THR A 159 ? 0.5540 0.4813 0.4176 -0.2499 0.0847 0.0109 173 THR H CG2 1206 N N . TRP A 160 ? 0.5273 0.4323 0.3896 -0.2617 0.0607 -0.0158 174 TRP H N 1207 C CA . TRP A 160 ? 0.5824 0.4733 0.4395 -0.2694 0.0500 -0.0225 174 TRP H CA 1208 C C . TRP A 160 ? 0.6619 0.5508 0.5271 -0.2869 0.0391 -0.0128 174 TRP H C 1209 O O . TRP A 160 ? 0.5777 0.5017 0.4625 -0.2956 0.0414 -0.0005 174 TRP H O 1210 C CB . TRP A 160 ? 0.5284 0.4484 0.3940 -0.2684 0.0514 -0.0283 174 TRP H CB 1211 C CG . TRP A 160 ? 0.5282 0.4451 0.3867 -0.2538 0.0594 -0.0369 174 TRP H CG 1212 C CD1 . TRP A 160 ? 0.4890 0.4267 0.3559 -0.2442 0.0683 -0.0356 174 TRP H CD1 1213 C CD2 . TRP A 160 ? 0.5279 0.4196 0.3700 -0.2485 0.0584 -0.0471 174 TRP H CD2 1214 N NE1 . TRP A 160 ? 0.5294 0.4555 0.3897 -0.2343 0.0720 -0.0424 174 TRP H NE1 1215 C CE2 . TRP A 160 ? 0.5215 0.4226 0.3668 -0.2370 0.0676 -0.0487 174 TRP H CE2 1216 C CE3 . TRP A 160 ? 0.5498 0.4110 0.3734 -0.2521 0.0496 -0.0553 174 TRP H CE3 1217 C CZ2 . TRP A 160 ? 0.5546 0.4408 0.3884 -0.2305 0.0706 -0.0549 174 TRP H CZ2 1218 C CZ3 . TRP A 160 ? 0.5690 0.4137 0.3756 -0.2443 0.0527 -0.0651 174 TRP H CZ3 1219 C CH2 . TRP A 160 ? 0.5433 0.4061 0.3580 -0.2299 0.0639 -0.0621 174 TRP H CH2 1220 N N . ASN A 161 ? 0.6054 0.4540 0.4561 -0.2920 0.0265 -0.0179 175 ASN H N 1221 C CA . ASN A 161 ? 0.6152 0.4524 0.4735 -0.3096 0.0127 -0.0088 175 ASN H CA 1222 C C . ASN A 161 ? 0.6175 0.4684 0.4883 -0.3160 0.0191 0.0091 175 ASN H C 1223 O O . ASN A 161 ? 0.6273 0.5042 0.5196 -0.3316 0.0160 0.0233 175 ASN H O 1224 C CB . ASN A 161 ? 0.6181 0.4826 0.4945 -0.3231 0.0036 -0.0083 175 ASN H CB 1225 C CG . ASN A 161 ? 0.8359 0.6746 0.6956 -0.3196 -0.0083 -0.0258 175 ASN H CG 1226 O OD1 . ASN A 161 ? 0.6446 0.4451 0.4788 -0.3071 -0.0096 -0.0373 175 ASN H OD1 1227 N ND2 . ASN A 161 ? 0.6360 0.4971 0.5088 -0.3296 -0.0173 -0.0283 175 ASN H ND2 1228 N N . SER A 162 ? 0.6095 0.4452 0.4668 -0.3035 0.0287 0.0090 176 SER H N 1229 C CA . SER A 162 ? 0.6493 0.4921 0.5121 -0.3066 0.0354 0.0249 176 SER H CA 1230 C C . SER A 162 ? 0.7022 0.6025 0.5890 -0.3095 0.0462 0.0376 176 SER H C 1231 O O . SER A 162 ? 0.6698 0.5868 0.5676 -0.3178 0.0498 0.0556 176 SER H O 1232 C CB . SER A 162 ? 0.7678 0.5788 0.6288 -0.3226 0.0224 0.0355 176 SER H CB 1233 O OG . SER A 162 ? 0.9346 0.6904 0.7695 -0.3171 0.0110 0.0222 176 SER H OG 1234 N N . GLY A 163 ? 0.6099 0.5414 0.5034 -0.3016 0.0516 0.0291 177 GLY H N 1235 C CA . GLY A 163 ? 0.6007 0.5879 0.5135 -0.3010 0.0609 0.0383 177 GLY H CA 1236 C C . GLY A 163 ? 0.6444 0.6661 0.5782 -0.3155 0.0545 0.0445 177 GLY H C 1237 O O . GLY A 163 ? 0.5995 0.6726 0.5481 -0.3125 0.0619 0.0497 177 GLY H O 1238 N N . SER A 164 ? 0.6030 0.5994 0.5381 -0.3306 0.0399 0.0436 178 SER H N 1239 C CA . SER A 164 ? 0.6792 0.7078 0.6356 -0.3459 0.0318 0.0485 178 SER H CA 1240 C C . SER A 164 ? 0.7180 0.7734 0.6754 -0.3374 0.0339 0.0352 178 SER H C 1241 O O . SER A 164 ? 0.6914 0.7942 0.6687 -0.3444 0.0333 0.0408 178 SER H O 1242 C CB . SER A 164 ? 0.6993 0.6872 0.6536 -0.3624 0.0130 0.0465 178 SER H CB 1243 O OG . SER A 164 ? 0.8133 0.7770 0.7682 -0.3727 0.0097 0.0604 178 SER H OG 1244 N N . LEU A 165 ? 0.6811 0.7086 0.6178 -0.3225 0.0364 0.0184 179 LEU H N 1245 C CA . LEU A 165 ? 0.6384 0.6845 0.5731 -0.3141 0.0386 0.0056 179 LEU H CA 1246 C C . LEU A 165 ? 0.6151 0.6816 0.5473 -0.2969 0.0534 0.0041 179 LEU H C 1247 O O . LEU A 165 ? 0.6640 0.6993 0.5804 -0.2850 0.0585 -0.0020 179 LEU H O 1248 C CB . LEU A 165 ? 0.6073 0.6085 0.5212 -0.3102 0.0306 -0.0107 179 LEU H CB 1249 C CG . LEU A 165 ? 0.6895 0.7035 0.5996 -0.3050 0.0301 -0.0236 179 LEU H CG 1250 C CD1 . LEU A 165 ? 0.6790 0.7366 0.6096 -0.3177 0.0232 -0.0199 179 LEU H CD1 1251 C CD2 . LEU A 165 ? 0.6474 0.6153 0.5346 -0.3020 0.0215 -0.0374 179 LEU H CD2 1252 N N . SER A 166 ? 0.5690 0.6896 0.5170 -0.2951 0.0593 0.0097 180 SER H N 1253 C CA . SER A 166 ? 0.5668 0.7092 0.5118 -0.2781 0.0715 0.0076 180 SER H CA 1254 C C . SER A 166 ? 0.6027 0.7810 0.5526 -0.2719 0.0731 -0.0008 180 SER H C 1255 O O . SER A 166 ? 0.6497 0.8276 0.5910 -0.2533 0.0786 -0.0086 180 SER H O 1256 C CB . SER A 166 ? 0.5532 0.7321 0.5084 -0.2755 0.0797 0.0236 180 SER H CB 1257 O OG . SER A 166 ? 0.5460 0.7688 0.5220 -0.2875 0.0763 0.0365 180 SER H OG 1258 N N . SER A 167 ? 0.5104 0.7164 0.4733 -0.2829 0.0655 0.0001 181 SER H N 1259 C CA . SER A 167 ? 0.5799 0.8169 0.5459 -0.2734 0.0642 -0.0092 181 SER H CA 1260 C C . SER A 167 ? 0.5498 0.7375 0.4968 -0.2642 0.0588 -0.0242 181 SER H C 1261 O O . SER A 167 ? 0.5908 0.7379 0.5290 -0.2778 0.0538 -0.0276 181 SER H O 1262 C CB . SER A 167 ? 0.5876 0.8709 0.5744 -0.2900 0.0566 -0.0041 181 SER H CB 1263 O OG . SER A 167 ? 0.8050 1.1265 0.8090 -0.2944 0.0590 0.0131 181 SER H OG 1264 N N . GLY A 168 ? 0.5955 0.7873 0.5351 -0.2398 0.0590 -0.0322 182 GLY H N 1265 C CA . GLY A 168 ? 0.5034 0.6562 0.4271 -0.2311 0.0550 -0.0422 182 GLY H CA 1266 C C . GLY A 168 ? 0.5013 0.6071 0.4121 -0.2272 0.0599 -0.0436 182 GLY H C 1267 O O . GLY A 168 ? 0.5009 0.5754 0.3997 -0.2247 0.0580 -0.0487 182 GLY H O 1268 N N . VAL A 169 ? 0.4489 0.5531 0.3617 -0.2250 0.0664 -0.0386 183 VAL H N 1269 C CA . VAL A 169 ? 0.4896 0.5543 0.3928 -0.2218 0.0706 -0.0394 183 VAL H CA 1270 C C . VAL A 169 ? 0.4191 0.4814 0.3203 -0.2002 0.0711 -0.0421 183 VAL H C 1271 O O . VAL A 169 ? 0.4088 0.4994 0.3144 -0.1884 0.0709 -0.0412 183 VAL H O 1272 C CB . VAL A 169 ? 0.4915 0.5510 0.3963 -0.2349 0.0753 -0.0319 183 VAL H CB 1273 C CG1 . VAL A 169 ? 0.4861 0.5095 0.3811 -0.2274 0.0792 -0.0336 183 VAL H CG1 1274 C CG2 . VAL A 169 ? 0.4828 0.5335 0.3882 -0.2564 0.0699 -0.0293 183 VAL H CG2 1275 N N . HIS A 170 ? 0.4170 0.4467 0.3117 -0.1943 0.0705 -0.0449 184 HIS H N 1276 C CA . HIS A 170 ? 0.4570 0.4745 0.3514 -0.1784 0.0682 -0.0465 184 HIS H CA 1277 C C . HIS A 170 ? 0.4612 0.4501 0.3535 -0.1823 0.0723 -0.0451 184 HIS H C 1278 O O . HIS A 170 ? 0.4731 0.4426 0.3618 -0.1881 0.0743 -0.0443 184 HIS H O 1279 C CB . HIS A 170 ? 0.4504 0.4590 0.3433 -0.1686 0.0616 -0.0481 184 HIS H CB 1280 C CG . HIS A 170 ? 0.4976 0.5329 0.3902 -0.1605 0.0562 -0.0506 184 HIS H CG 1281 N ND1 . HIS A 170 ? 0.5271 0.5841 0.4202 -0.1449 0.0516 -0.0539 184 HIS H ND1 1282 C CD2 . HIS A 170 ? 0.5567 0.6026 0.4469 -0.1629 0.0540 -0.0511 184 HIS H CD2 1283 C CE1 . HIS A 170 ? 0.5856 0.6668 0.4776 -0.1384 0.0472 -0.0560 184 HIS H CE1 1284 N NE2 . HIS A 170 ? 0.6282 0.7025 0.5192 -0.1499 0.0483 -0.0543 184 HIS H NE2 1285 N N . THR A 171 ? 0.4312 0.4204 0.3241 -0.1765 0.0734 -0.0450 185 THR H N 1286 C CA . THR A 171 ? 0.4371 0.4012 0.3282 -0.1772 0.0759 -0.0445 185 THR H CA 1287 C C . THR A 171 ? 0.4686 0.4229 0.3641 -0.1624 0.0682 -0.0478 185 THR H C 1288 O O . THR A 171 ? 0.4459 0.4120 0.3401 -0.1492 0.0629 -0.0514 185 THR H O 1289 C CB . THR A 171 ? 0.4623 0.4293 0.3490 -0.1832 0.0818 -0.0413 185 THR H CB 1290 O OG1 . THR A 171 ? 0.4850 0.4531 0.3686 -0.2001 0.0850 -0.0378 185 THR H OG1 1291 C CG2 . THR A 171 ? 0.4983 0.4400 0.3815 -0.1803 0.0833 -0.0419 185 THR H CG2 1292 N N . PHE A 172 ? 0.3934 0.3275 0.2938 -0.1638 0.0663 -0.0463 186 PHE H N 1293 C CA . PHE A 172 ? 0.4306 0.3532 0.3389 -0.1538 0.0550 -0.0478 186 PHE H CA 1294 C C . PHE A 172 ? 0.5187 0.4300 0.4297 -0.1483 0.0519 -0.0506 186 PHE H C 1295 O O . PHE A 172 ? 0.4732 0.3811 0.3813 -0.1538 0.0603 -0.0490 186 PHE H O 1296 C CB . PHE A 172 ? 0.4188 0.3312 0.3354 -0.1599 0.0535 -0.0407 186 PHE H CB 1297 C CG . PHE A 172 ? 0.4251 0.3472 0.3368 -0.1618 0.0543 -0.0386 186 PHE H CG 1298 C CD1 . PHE A 172 ? 0.4582 0.3892 0.3623 -0.1703 0.0641 -0.0373 186 PHE H CD1 1299 C CD2 . PHE A 172 ? 0.4434 0.3638 0.3557 -0.1530 0.0430 -0.0395 186 PHE H CD2 1300 C CE1 . PHE A 172 ? 0.4469 0.3883 0.3459 -0.1707 0.0634 -0.0367 186 PHE H CE1 1301 C CE2 . PHE A 172 ? 0.4497 0.3803 0.3562 -0.1527 0.0432 -0.0381 186 PHE H CE2 1302 C CZ . PHE A 172 ? 0.4459 0.3888 0.3465 -0.1618 0.0538 -0.0366 186 PHE H CZ 1303 N N . PRO A 173 ? 0.4366 0.3403 0.3504 -0.1353 0.0380 -0.0561 187 PRO H N 1304 C CA . PRO A 173 ? 0.4830 0.3754 0.3996 -0.1287 0.0322 -0.0602 187 PRO H CA 1305 C C . PRO A 173 ? 0.4580 0.3398 0.3882 -0.1398 0.0350 -0.0537 187 PRO H C 1306 O O . PRO A 173 ? 0.4499 0.3283 0.3920 -0.1485 0.0336 -0.0460 187 PRO H O 1307 C CB . PRO A 173 ? 0.4981 0.3784 0.4160 -0.1134 0.0115 -0.0680 187 PRO H CB 1308 C CG . PRO A 173 ? 0.4811 0.3747 0.3890 -0.1060 0.0106 -0.0704 187 PRO H CG 1309 C CD . PRO A 173 ? 0.4474 0.3514 0.3587 -0.1232 0.0249 -0.0609 187 PRO H CD 1310 N N . ALA A 174 ? 0.4345 0.3143 0.3620 -0.1381 0.0396 -0.0555 188 ALA H N 1311 C CA . ALA A 174 ? 0.4622 0.3373 0.4025 -0.1446 0.0417 -0.0503 188 ALA H CA 1312 C C . ALA A 174 ? 0.4865 0.3532 0.4483 -0.1447 0.0248 -0.0486 188 ALA H C 1313 O O . ALA A 174 ? 0.4436 0.3001 0.4057 -0.1347 0.0084 -0.0567 188 ALA H O 1314 C CB . ALA A 174 ? 0.4744 0.3472 0.4054 -0.1386 0.0467 -0.0543 188 ALA H CB 1315 N N . VAL A 175 ? 0.3918 0.2636 0.3716 -0.1555 0.0277 -0.0374 189 VAL H N 1316 C CA . VAL A 175 ? 0.4406 0.3071 0.4467 -0.1612 0.0116 -0.0309 189 VAL H CA 1317 C C . VAL A 175 ? 0.4334 0.3117 0.4562 -0.1645 0.0148 -0.0256 189 VAL H C 1318 O O . VAL A 175 ? 0.4532 0.3470 0.4716 -0.1664 0.0320 -0.0198 189 VAL H O 1319 C CB . VAL A 175 ? 0.5041 0.3727 0.5215 -0.1724 0.0110 -0.0170 189 VAL H CB 1320 C CG1 . VAL A 175 ? 0.4800 0.3436 0.5285 -0.1826 -0.0061 -0.0056 189 VAL H CG1 1321 C CG2 . VAL A 175 ? 0.5386 0.3955 0.5391 -0.1661 0.0050 -0.0239 189 VAL H CG2 1322 N N . LEU A 176 ? 0.4380 0.3089 0.4784 -0.1629 -0.0036 -0.0290 190 LEU H N 1323 C CA . LEU A 176 ? 0.4870 0.3722 0.5456 -0.1643 -0.0036 -0.0254 190 LEU H CA 1324 C C . LEU A 176 ? 0.5270 0.4283 0.6220 -0.1810 -0.0090 -0.0061 190 LEU H C 1325 O O . LEU A 176 ? 0.6015 0.4890 0.7138 -0.1902 -0.0275 -0.0008 190 LEU H O 1326 C CB . LEU A 176 ? 0.4519 0.3229 0.5099 -0.1526 -0.0221 -0.0404 190 LEU H CB 1327 C CG . LEU A 176 ? 0.5028 0.3887 0.5773 -0.1506 -0.0243 -0.0401 190 LEU H CG 1328 C CD1 . LEU A 176 ? 0.4252 0.3224 0.4766 -0.1413 -0.0016 -0.0424 190 LEU H CD1 1329 C CD2 . LEU A 176 ? 0.5386 0.4071 0.6148 -0.1393 -0.0488 -0.0553 190 LEU H CD2 1330 N N . GLN A 177 ? 0.4371 0.3682 0.5430 -0.1841 0.0066 0.0054 191 GLN H N 1331 C CA . GLN A 177 ? 0.4777 0.4355 0.6224 -0.1993 0.0032 0.0269 191 GLN H CA 1332 C C . GLN A 177 ? 0.3925 0.3812 0.5492 -0.1935 0.0111 0.0291 191 GLN H C 1333 O O . GLN A 177 ? 0.4165 0.4164 0.5493 -0.1809 0.0308 0.0248 191 GLN H O 1334 C CB . GLN A 177 ? 0.4950 0.4695 0.6408 -0.2081 0.0185 0.0459 191 GLN H CB 1335 C CG . GLN A 177 ? 0.4780 0.4887 0.6650 -0.2238 0.0184 0.0732 191 GLN H CG 1336 C CD . GLN A 177 ? 0.7739 0.8017 0.9588 -0.2287 0.0335 0.0927 191 GLN H CD 1337 O OE1 . GLN A 177 ? 0.8349 0.8384 0.9970 -0.2255 0.0344 0.0872 191 GLN H OE1 1338 N NE2 . GLN A 177 ? 0.7852 0.8574 0.9913 -0.2306 0.0458 0.1136 191 GLN H NE2 1339 N N . SER A 178 ? 0.4011 0.4025 0.5945 -0.2022 -0.0061 0.0356 192 SER H N 1340 C CA . SER A 178 ? 0.4140 0.4504 0.6246 -0.1966 -0.0016 0.0386 192 SER H CA 1341 C C . SER A 178 ? 0.5030 0.5282 0.6755 -0.1734 0.0089 0.0174 192 SER H C 1342 O O . SER A 178 ? 0.4521 0.5020 0.6143 -0.1619 0.0267 0.0195 192 SER H O 1343 C CB . SER A 178 ? 0.4726 0.5590 0.7037 -0.2028 0.0172 0.0636 192 SER H CB 1344 O OG . SER A 178 ? 0.6479 0.7451 0.9148 -0.2261 0.0080 0.0872 192 SER H OG 1345 N N . ASP A 179 ? 0.4393 0.4261 0.5884 -0.1649 -0.0027 -0.0025 193 ASP H N 1346 C CA . ASP A 179 ? 0.4068 0.3789 0.5219 -0.1447 0.0030 -0.0208 193 ASP H CA 1347 C C . ASP A 179 ? 0.4679 0.4328 0.5446 -0.1361 0.0262 -0.0234 193 ASP H C 1348 O O . ASP A 179 ? 0.4597 0.4154 0.5093 -0.1210 0.0333 -0.0338 193 ASP H O 1349 C CB . ASP A 179 ? 0.4514 0.4479 0.5817 -0.1358 0.0000 -0.0220 193 ASP H CB 1350 C CG . ASP A 179 ? 0.5565 0.5524 0.7192 -0.1416 -0.0277 -0.0253 193 ASP H CG 1351 O OD1 . ASP A 179 ? 0.5945 0.5581 0.7510 -0.1426 -0.0455 -0.0357 193 ASP H OD1 1352 O OD2 . ASP A 179 ? 0.5575 0.5861 0.7514 -0.1437 -0.0330 -0.0181 193 ASP H OD2 1353 N N . LEU A 180 ? 0.3869 0.3527 0.4595 -0.1454 0.0361 -0.0144 194 LEU H N 1354 C CA . LEU A 180 ? 0.3991 0.3534 0.4358 -0.1390 0.0535 -0.0185 194 LEU H CA 1355 C C . LEU A 180 ? 0.3907 0.3266 0.4179 -0.1477 0.0521 -0.0190 194 LEU H C 1356 O O . LEU A 180 ? 0.4298 0.3705 0.4790 -0.1595 0.0444 -0.0095 194 LEU H O 1357 C CB . LEU A 180 ? 0.4704 0.4519 0.5066 -0.1362 0.0699 -0.0074 194 LEU H CB 1358 C CG . LEU A 180 ? 0.4840 0.4896 0.5266 -0.1234 0.0733 -0.0067 194 LEU H CG 1359 C CD1 . LEU A 180 ? 0.5557 0.5966 0.6017 -0.1189 0.0883 0.0067 194 LEU H CD1 1360 C CD2 . LEU A 180 ? 0.4534 0.4321 0.4602 -0.1070 0.0755 -0.0232 194 LEU H CD2 1361 N N . TYR A 181 ? 0.3863 0.3020 0.3813 -0.1421 0.0590 -0.0288 195 TYR H N 1362 C CA . TYR A 181 ? 0.4120 0.3148 0.3966 -0.1480 0.0581 -0.0305 195 TYR H CA 1363 C C . TYR A 181 ? 0.4813 0.3901 0.4546 -0.1528 0.0715 -0.0241 195 TYR H C 1364 O O . TYR A 181 ? 0.4890 0.4013 0.4475 -0.1474 0.0825 -0.0241 195 TYR H O 1365 C CB . TYR A 181 ? 0.3963 0.2805 0.3558 -0.1407 0.0575 -0.0424 195 TYR H CB 1366 C CG . TYR A 181 ? 0.4164 0.2929 0.3823 -0.1337 0.0416 -0.0503 195 TYR H CG 1367 C CD1 . TYR A 181 ? 0.4224 0.2936 0.3968 -0.1355 0.0285 -0.0521 195 TYR H CD1 1368 C CD2 . TYR A 181 ? 0.4830 0.3557 0.4434 -0.1225 0.0381 -0.0571 195 TYR H CD2 1369 C CE1 . TYR A 181 ? 0.4369 0.2980 0.4126 -0.1250 0.0112 -0.0619 195 TYR H CE1 1370 C CE2 . TYR A 181 ? 0.4555 0.3207 0.4184 -0.1128 0.0217 -0.0661 195 TYR H CE2 1371 C CZ . TYR A 181 ? 0.4893 0.3483 0.4594 -0.1136 0.0079 -0.0691 195 TYR H CZ 1372 O OH . TYR A 181 ? 0.5397 0.3886 0.5081 -0.1002 -0.0109 -0.0805 195 TYR H OH 1373 N N . THR A 182 ? 0.4483 0.3561 0.4261 -0.1606 0.0685 -0.0200 196 THR H N 1374 C CA . THR A 182 ? 0.4584 0.3680 0.4210 -0.1638 0.0782 -0.0172 196 THR H CA 1375 C C . THR A 182 ? 0.4192 0.3156 0.3676 -0.1649 0.0744 -0.0255 196 THR H C 1376 O O . THR A 182 ? 0.4644 0.3557 0.4217 -0.1645 0.0629 -0.0279 196 THR H O 1377 C CB . THR A 182 ? 0.4331 0.3583 0.4132 -0.1708 0.0788 -0.0026 196 THR H CB 1378 O OG1 . THR A 182 ? 0.5160 0.4632 0.5125 -0.1698 0.0839 0.0085 196 THR H OG1 1379 C CG2 . THR A 182 ? 0.4939 0.4204 0.4546 -0.1713 0.0877 -0.0018 196 THR H CG2 1380 N N . LEU A 183 ? 0.3834 0.2753 0.3099 -0.1653 0.0826 -0.0298 197 LEU H N 1381 C CA . LEU A 183 ? 0.3870 0.2755 0.3029 -0.1679 0.0808 -0.0348 197 LEU H CA 1382 C C . LEU A 183 ? 0.4859 0.3776 0.3900 -0.1729 0.0872 -0.0331 197 LEU H C 1383 O O . LEU A 183 ? 0.5033 0.3929 0.3979 -0.1715 0.0935 -0.0322 197 LEU H O 1384 C CB . LEU A 183 ? 0.4151 0.2955 0.3174 -0.1651 0.0817 -0.0414 197 LEU H CB 1385 C CG . LEU A 183 ? 0.4480 0.3334 0.3410 -0.1682 0.0817 -0.0438 197 LEU H CG 1386 C CD1 . LEU A 183 ? 0.5154 0.4008 0.4038 -0.1609 0.0794 -0.0469 197 LEU H CD1 1387 C CD2 . LEU A 183 ? 0.5237 0.4044 0.4021 -0.1771 0.0882 -0.0431 197 LEU H CD2 1388 N N . SER A 184 ? 0.4473 0.3447 0.3505 -0.1761 0.0841 -0.0338 198 SER H N 1389 C CA . SER A 184 ? 0.4392 0.3403 0.3310 -0.1803 0.0878 -0.0338 198 SER H CA 1390 C C . SER A 184 ? 0.4803 0.3881 0.3674 -0.1843 0.0847 -0.0382 198 SER H C 1391 O O . SER A 184 ? 0.4310 0.3445 0.3242 -0.1810 0.0803 -0.0400 198 SER H O 1392 C CB . SER A 184 ? 0.4190 0.3286 0.3176 -0.1790 0.0880 -0.0258 198 SER H CB 1393 O OG . SER A 184 ? 0.4304 0.3434 0.3405 -0.1784 0.0799 -0.0234 198 SER H OG 1394 N N . SER A 185 ? 0.4384 0.3478 0.3144 -0.1901 0.0862 -0.0404 199 SER H N 1395 C CA . SER A 185 ? 0.4325 0.3550 0.3073 -0.1962 0.0833 -0.0428 199 SER H CA 1396 C C . SER A 185 ? 0.4923 0.4189 0.3595 -0.1994 0.0817 -0.0444 199 SER H C 1397 O O . SER A 185 ? 0.4920 0.4055 0.3475 -0.1989 0.0832 -0.0460 199 SER H O 1398 C CB . SER A 185 ? 0.4382 0.3565 0.3077 -0.2047 0.0845 -0.0436 199 SER H CB 1399 O OG . SER A 185 ? 0.4578 0.3964 0.3305 -0.2127 0.0822 -0.0428 199 SER H OG 1400 N N . SER A 186 ? 0.4612 0.4069 0.3330 -0.1999 0.0776 -0.0450 200 SER H N 1401 C CA . SER A 186 ? 0.4679 0.4202 0.3323 -0.2025 0.0743 -0.0477 200 SER H CA 1402 C C . SER A 186 ? 0.4568 0.4267 0.3247 -0.2135 0.0699 -0.0502 200 SER H C 1403 O O . SER A 186 ? 0.4537 0.4411 0.3319 -0.2147 0.0706 -0.0477 200 SER H O 1404 C CB . SER A 186 ? 0.4538 0.4158 0.3206 -0.1925 0.0721 -0.0448 200 SER H CB 1405 O OG . SER A 186 ? 0.5074 0.4872 0.3836 -0.1884 0.0680 -0.0451 200 SER H OG 1406 N N . VAL A 187 ? 0.4589 0.4266 0.3186 -0.2210 0.0646 -0.0546 201 VAL H N 1407 C CA . VAL A 187 ? 0.4739 0.4623 0.3412 -0.2346 0.0582 -0.0553 201 VAL H CA 1408 C C . VAL A 187 ? 0.5207 0.5188 0.3825 -0.2325 0.0505 -0.0610 201 VAL H C 1409 O O . VAL A 187 ? 0.5110 0.4886 0.3562 -0.2263 0.0484 -0.0659 201 VAL H O 1410 C CB . VAL A 187 ? 0.4924 0.4625 0.3567 -0.2517 0.0548 -0.0546 201 VAL H CB 1411 C CG1 . VAL A 187 ? 0.5396 0.4738 0.3829 -0.2508 0.0489 -0.0625 201 VAL H CG1 1412 C CG2 . VAL A 187 ? 0.5577 0.5555 0.4368 -0.2697 0.0480 -0.0507 201 VAL H CG2 1413 N N . THR A 188 ? 0.5270 0.5595 0.4012 -0.2343 0.0465 -0.0603 202 THR H N 1414 C CA . THR A 188 ? 0.5359 0.5822 0.4057 -0.2304 0.0383 -0.0659 202 THR H CA 1415 C C . THR A 188 ? 0.5282 0.5963 0.4097 -0.2493 0.0280 -0.0674 202 THR H C 1416 O O . THR A 188 ? 0.6005 0.7007 0.5013 -0.2579 0.0296 -0.0607 202 THR H O 1417 C CB . THR A 188 ? 0.5463 0.6155 0.4199 -0.2133 0.0402 -0.0640 202 THR H CB 1418 O OG1 . THR A 188 ? 0.5508 0.5966 0.4166 -0.1999 0.0472 -0.0603 202 THR H OG1 1419 C CG2 . THR A 188 ? 0.4846 0.5666 0.3508 -0.2071 0.0316 -0.0696 202 THR H CG2 1420 N N . VAL A 189 ? 0.5324 0.5841 0.4024 -0.2556 0.0165 -0.0756 203 VAL H N 1421 C CA . VAL A 189 ? 0.5667 0.6341 0.4487 -0.2763 0.0022 -0.0776 203 VAL H CA 1422 C C . VAL A 189 ? 0.6517 0.7264 0.5237 -0.2682 -0.0100 -0.0883 203 VAL H C 1423 O O . VAL A 189 ? 0.6750 0.7339 0.5259 -0.2477 -0.0069 -0.0935 203 VAL H O 1424 C CB . VAL A 189 ? 0.6406 0.6702 0.5166 -0.2955 -0.0063 -0.0787 203 VAL H CB 1425 C CG1 . VAL A 189 ? 0.6190 0.6425 0.5036 -0.3028 0.0056 -0.0672 203 VAL H CG1 1426 C CG2 . VAL A 189 ? 0.6761 0.6592 0.5204 -0.2821 -0.0113 -0.0908 203 VAL H CG2 1427 N N . THR A 190 ? 0.6561 0.7576 0.5444 -0.2848 -0.0243 -0.0900 204 THR H N 1428 C CA . THR A 190 ? 0.6352 0.7454 0.5145 -0.2775 -0.0387 -0.1015 204 THR H CA 1429 C C . THR A 190 ? 0.7143 0.7748 0.5634 -0.2733 -0.0507 -0.1147 204 THR H C 1430 O O . THR A 190 ? 0.6342 0.6583 0.4768 -0.2860 -0.0559 -0.1160 204 THR H O 1431 C CB . THR A 190 ? 0.7188 0.8727 0.6266 -0.2987 -0.0532 -0.0998 204 THR H CB 1432 O OG1 . THR A 190 ? 0.8824 1.0171 0.8008 -0.3280 -0.0653 -0.0971 204 THR H OG1 1433 C CG2 . THR A 190 ? 0.6274 0.8371 0.5621 -0.2971 -0.0405 -0.0871 204 THR H CG2 1434 N N . SER A 191 ? 0.8580 0.7625 0.7258 -0.2181 -0.1663 -0.2317 205 SER H N 1435 C CA . SER A 191 ? 1.0161 0.8940 0.8595 -0.2469 -0.1354 -0.2089 205 SER H CA 1436 C C . SER A 191 ? 0.9376 0.8299 0.7792 -0.2739 -0.1025 -0.2032 205 SER H C 1437 O O . SER A 191 ? 0.9315 0.8061 0.7530 -0.2930 -0.0707 -0.1856 205 SER H O 1438 C CB . SER A 191 ? 1.1097 0.9688 0.9403 -0.2466 -0.1574 -0.2140 205 SER H CB 1439 O OG . SER A 191 ? 1.1833 1.0287 1.0048 -0.2322 -0.1776 -0.2143 205 SER H OG 1440 N N . SER A 192 ? 0.9942 0.9215 0.8544 -0.2754 -0.1104 -0.2202 206 SER H N 1441 C CA . SER A 192 ? 1.0573 1.0043 0.9175 -0.3044 -0.0778 -0.2169 206 SER H CA 1442 C C . SER A 192 ? 1.0427 0.9937 0.9003 -0.3164 -0.0443 -0.2034 206 SER H C 1443 O O . SER A 192 ? 1.0919 1.0263 0.9339 -0.3367 -0.0163 -0.1927 206 SER H O 1444 C CB . SER A 192 ? 1.0613 1.0566 0.9420 -0.3064 -0.0926 -0.2381 206 SER H CB 1445 O OG . SER A 192 ? 1.0810 1.0733 0.9655 -0.2788 -0.1390 -0.2556 206 SER H OG 1446 N N . THR A 193 ? 0.9373 0.9068 0.8076 -0.3015 -0.0512 -0.2059 207 THR H N 1447 C CA . THR A 193 ? 0.9193 0.8954 0.7887 -0.3117 -0.0241 -0.1950 207 THR H CA 1448 C C . THR A 193 ? 0.9156 0.8448 0.7604 -0.3184 -0.0005 -0.1758 207 THR H C 1449 O O . THR A 193 ? 0.8952 0.8156 0.7299 -0.3364 0.0230 -0.1690 207 THR H O 1450 C CB . THR A 193 ? 0.9156 0.9102 0.7982 -0.2886 -0.0407 -0.2002 207 THR H CB 1451 O OG1 . THR A 193 ? 1.0080 1.0592 0.9103 -0.2825 -0.0591 -0.2212 207 THR H OG1 1452 C CG2 . THR A 193 ? 0.9361 0.9264 0.8143 -0.2967 -0.0148 -0.1859 207 THR H CG2 1453 N N . TRP A 194 ? 0.8882 0.7876 0.7211 -0.3035 -0.0099 -0.1685 208 TRP H N 1454 C CA . TRP A 194 ? 0.7605 0.6276 0.5718 -0.3048 0.0094 -0.1538 208 TRP H CA 1455 C C . TRP A 194 ? 0.8367 0.6804 0.6257 -0.3122 0.0115 -0.1507 208 TRP H C 1456 O O . TRP A 194 ? 0.9761 0.8183 0.7634 -0.3084 -0.0093 -0.1539 208 TRP H O 1457 C CB . TRP A 194 ? 0.7485 0.6099 0.5621 -0.2856 -0.0002 -0.1473 208 TRP H CB 1458 C CG . TRP A 194 ? 0.6665 0.5040 0.4616 -0.2852 0.0179 -0.1351 208 TRP H CG 1459 C CD1 . TRP A 194 ? 0.6374 0.4697 0.4324 -0.2865 0.0367 -0.1310 208 TRP H CD1 1460 C CD2 . TRP A 194 ? 0.7319 0.5497 0.5055 -0.2842 0.0167 -0.1275 208 TRP H CD2 1461 N NE1 . TRP A 194 ? 0.6611 0.4733 0.4405 -0.2826 0.0461 -0.1245 208 TRP H NE1 1462 C CE2 . TRP A 194 ? 0.6484 0.4555 0.4138 -0.2831 0.0357 -0.1223 208 TRP H CE2 1463 C CE3 . TRP A 194 ? 0.6973 0.5060 0.4560 -0.2863 0.0001 -0.1251 208 TRP H CE3 1464 C CZ2 . TRP A 194 ? 0.7138 0.5093 0.4593 -0.2848 0.0404 -0.1172 208 TRP H CZ2 1465 C CZ3 . TRP A 194 ? 0.6873 0.4815 0.4202 -0.2916 0.0057 -0.1159 208 TRP H CZ3 1466 C CH2 . TRP A 194 ? 0.6971 0.4888 0.4250 -0.2911 0.0266 -0.1134 208 TRP H CH2 1467 N N . PRO A 195 ? 0.7538 0.5786 0.5257 -0.3219 0.0335 -0.1468 209 PRO H N 1468 C CA . PRO A 195 ? 0.7074 0.5226 0.4792 -0.3228 0.0521 -0.1438 209 PRO H CA 1469 C C . PRO A 195 ? 0.7289 0.5441 0.5053 -0.3387 0.0621 -0.1485 209 PRO H C 1470 O O . PRO A 195 ? 0.7866 0.5828 0.5601 -0.3405 0.0733 -0.1453 209 PRO H O 1471 C CB . PRO A 195 ? 0.8672 0.6595 0.6201 -0.3231 0.0632 -0.1423 209 PRO H CB 1472 C CG . PRO A 195 ? 0.8598 0.6527 0.5987 -0.3299 0.0547 -0.1441 209 PRO H CG 1473 C CD . PRO A 195 ? 0.8617 0.6710 0.6128 -0.3317 0.0376 -0.1476 209 PRO H CD 1474 N N . SER A 196 ? 0.7402 0.5743 0.5239 -0.3511 0.0559 -0.1555 210 SER H N 1475 C CA . SER A 196 ? 0.8040 0.6375 0.5883 -0.3716 0.0643 -0.1582 210 SER H CA 1476 C C . SER A 196 ? 0.7884 0.6322 0.5815 -0.3754 0.0687 -0.1524 210 SER H C 1477 O O . SER A 196 ? 0.8057 0.6280 0.5920 -0.3900 0.0763 -0.1477 210 SER H O 1478 C CB . SER A 196 ? 0.8866 0.7476 0.6793 -0.3853 0.0559 -0.1677 210 SER H CB 1479 O OG . SER A 196 ? 0.9687 0.8647 0.7800 -0.3731 0.0393 -0.1734 210 SER H OG 1480 N N . GLN A 197 ? 0.7244 0.5985 0.5325 -0.3633 0.0610 -0.1526 211 GLN H N 1481 C CA . GLN A 197 ? 0.7903 0.6770 0.6059 -0.3645 0.0651 -0.1465 211 GLN H CA 1482 C C . GLN A 197 ? 0.7461 0.6079 0.5572 -0.3422 0.0664 -0.1388 211 GLN H C 1483 O O . GLN A 197 ? 0.6742 0.5425 0.4900 -0.3237 0.0559 -0.1406 211 GLN H O 1484 C CB . GLN A 197 ? 0.7028 0.6483 0.5416 -0.3656 0.0546 -0.1557 211 GLN H CB 1485 C CG . GLN A 197 ? 0.8770 0.8593 0.7202 -0.3903 0.0543 -0.1668 211 GLN H CG 1486 C CD . GLN A 197 ? 1.0260 1.0847 0.8864 -0.3971 0.0475 -0.1855 211 GLN H CD 1487 O OE1 . GLN A 197 ? 1.1175 1.2101 0.9820 -0.3966 0.0503 -0.1890 211 GLN H OE1 1488 N NE2 . GLN A 197 ? 1.0030 1.0963 0.8766 -0.4010 0.0365 -0.2007 211 GLN H NE2 1489 N N . SER A 198 ? 0.7068 0.5377 0.5091 -0.3445 0.0762 -0.1301 212 SER H N 1490 C CA . SER A 198 ? 0.7355 0.5441 0.5340 -0.3240 0.0782 -0.1248 212 SER H CA 1491 C C . SER A 198 ? 0.7131 0.5477 0.5248 -0.3110 0.0718 -0.1220 212 SER H C 1492 O O . SER A 198 ? 0.6446 0.5104 0.4662 -0.3218 0.0704 -0.1234 212 SER H O 1493 C CB . SER A 198 ? 0.8298 0.5978 0.6208 -0.3277 0.0862 -0.1185 212 SER H CB 1494 O OG . SER A 198 ? 0.8832 0.6536 0.6789 -0.3411 0.0871 -0.1096 212 SER H OG 1495 N N . ILE A 199 ? 0.6270 0.4527 0.4368 -0.2911 0.0680 -0.1196 213 ILE H N 1496 C CA . ILE A 199 ? 0.6524 0.4957 0.4740 -0.2761 0.0590 -0.1174 213 ILE H CA 1497 C C . ILE A 199 ? 0.6719 0.4893 0.4869 -0.2641 0.0662 -0.1093 213 ILE H C 1498 O O . ILE A 199 ? 0.6331 0.4306 0.4369 -0.2592 0.0703 -0.1088 213 ILE H O 1499 C CB . ILE A 199 ? 0.5745 0.4330 0.4023 -0.2632 0.0390 -0.1229 213 ILE H CB 1500 C CG1 . ILE A 199 ? 0.6329 0.5233 0.4745 -0.2710 0.0274 -0.1352 213 ILE H CG1 1501 C CG2 . ILE A 199 ? 0.5464 0.4110 0.3831 -0.2438 0.0257 -0.1211 213 ILE H CG2 1502 C CD1 . ILE A 199 ? 0.6737 0.5724 0.5232 -0.2543 -0.0009 -0.1442 213 ILE H CD1 1503 N N . THR A 200 ? 0.6712 0.4922 0.4917 -0.2628 0.0689 -0.1045 214 THR H N 1504 C CA . THR A 200 ? 0.5793 0.3747 0.3958 -0.2524 0.0755 -0.0973 214 THR H CA 1505 C C . THR A 200 ? 0.5696 0.3789 0.3864 -0.2453 0.0721 -0.0962 214 THR H C 1506 O O . THR A 200 ? 0.5895 0.4236 0.4049 -0.2597 0.0732 -0.1006 214 THR H O 1507 C CB . THR A 200 ? 0.6922 0.4598 0.5014 -0.2675 0.0868 -0.0917 214 THR H CB 1508 O OG1 . THR A 200 ? 0.7244 0.4740 0.5324 -0.2739 0.0874 -0.0949 214 THR H OG1 1509 C CG2 . THR A 200 ? 0.6257 0.3645 0.4328 -0.2554 0.0911 -0.0851 214 THR H CG2 1510 N N . CYS A 201 ? 0.5780 0.3776 0.3969 -0.2261 0.0674 -0.0925 215 CYS H N 1511 C CA A CYS A 201 ? 0.6491 0.4543 0.4675 -0.2172 0.0630 -0.0908 215 CYS H CA 1512 C CA B CYS A 201 ? 0.6425 0.4486 0.4606 -0.2184 0.0633 -0.0910 215 CYS H CA 1513 C C . CYS A 201 ? 0.6232 0.4038 0.4334 -0.2202 0.0781 -0.0840 215 CYS H C 1514 O O . CYS A 201 ? 0.5840 0.3396 0.3941 -0.2145 0.0842 -0.0812 215 CYS H O 1515 C CB A CYS A 201 ? 0.6494 0.4555 0.4734 -0.1974 0.0477 -0.0884 215 CYS H CB 1516 C CB B CYS A 201 ? 0.6647 0.4757 0.4893 -0.1979 0.0450 -0.0897 215 CYS H CB 1517 S SG A CYS A 201 ? 0.5430 0.3467 0.3655 -0.1828 0.0402 -0.0847 215 CYS H SG 1518 S SG B CYS A 201 ? 0.6700 0.4646 0.4900 -0.1887 0.0494 -0.0844 215 CYS H SG 1519 N N . ASN A 202 ? 0.6002 0.3888 0.4042 -0.2304 0.0826 -0.0828 216 ASN H N 1520 C CA . ASN A 202 ? 0.6206 0.3829 0.4166 -0.2331 0.0942 -0.0717 216 ASN H CA 1521 C C . ASN A 202 ? 0.5882 0.3520 0.3823 -0.2188 0.0901 -0.0716 216 ASN H C 1522 O O . ASN A 202 ? 0.6212 0.4151 0.4153 -0.2222 0.0806 -0.0814 216 ASN H O 1523 C CB . ASN A 202 ? 0.6961 0.4707 0.4847 -0.2620 0.1033 -0.0640 216 ASN H CB 1524 C CG . ASN A 202 ? 0.7107 0.5042 0.5011 -0.2815 0.1026 -0.0695 216 ASN H CG 1525 O OD1 . ASN A 202 ? 0.7445 0.5876 0.5384 -0.2975 0.1003 -0.0807 216 ASN H OD1 1526 N ND2 . ASN A 202 ? 0.6832 0.4419 0.4730 -0.2814 0.1033 -0.0643 216 ASN H ND2 1527 N N . VAL A 203 ? 0.6328 0.3665 0.4260 -0.2024 0.0939 -0.0645 217 VAL H N 1528 C CA . VAL A 203 ? 0.6076 0.3382 0.3977 -0.1869 0.0894 -0.0637 217 VAL H CA 1529 C C . VAL A 203 ? 0.6496 0.3477 0.4309 -0.1849 0.1021 -0.0489 217 VAL H C 1530 O O . VAL A 203 ? 0.6292 0.2974 0.4117 -0.1802 0.1073 -0.0432 217 VAL H O 1531 C CB . VAL A 203 ? 0.6010 0.3350 0.3996 -0.1678 0.0789 -0.0680 217 VAL H CB 1532 C CG1 . VAL A 203 ? 0.5592 0.2867 0.3531 -0.1526 0.0734 -0.0659 217 VAL H CG1 1533 C CG2 . VAL A 203 ? 0.5969 0.3601 0.4028 -0.1682 0.0614 -0.0741 217 VAL H CG2 1534 N N . ALA A 204 ? 0.5908 0.2998 0.3645 -0.1844 0.1033 -0.0415 218 ALA H N 1535 C CA . ALA A 204 ? 0.6566 0.3517 0.4243 -0.1719 0.1107 -0.0196 218 ALA H CA 1536 C C . ALA A 204 ? 0.6006 0.3124 0.3738 -0.1362 0.0999 -0.0205 218 ALA H C 1537 O O . ALA A 204 ? 0.6036 0.3617 0.3833 -0.1225 0.0847 -0.0303 218 ALA H O 1538 C CB . ALA A 204 ? 0.6656 0.4021 0.4283 -0.1890 0.1161 -0.0028 218 ALA H CB 1539 N N . HIS A 205 ? 0.6509 0.3234 0.4209 -0.1195 0.1042 -0.0126 219 HIS H N 1540 C CA . HIS A 205 ? 0.6040 0.2914 0.3788 -0.0874 0.0949 -0.0113 219 HIS H CA 1541 C C . HIS A 205 ? 0.6360 0.2986 0.4028 -0.0741 0.1012 0.0099 219 HIS H C 1542 O O . HIS A 205 ? 0.6447 0.2615 0.4096 -0.0640 0.1045 0.0091 219 HIS H O 1543 C CB . HIS A 205 ? 0.6092 0.2824 0.3892 -0.0801 0.0899 -0.0282 219 HIS H CB 1544 C CG . HIS A 205 ? 0.5986 0.2924 0.3827 -0.0533 0.0777 -0.0272 219 HIS H CG 1545 N ND1 . HIS A 205 ? 0.5991 0.2786 0.3874 -0.0368 0.0810 -0.0294 219 HIS H ND1 1546 C CD2 . HIS A 205 ? 0.5657 0.2946 0.3502 -0.0392 0.0595 -0.0265 219 HIS H CD2 1547 C CE1 . HIS A 205 ? 0.5712 0.2768 0.3620 -0.0182 0.0673 -0.0271 219 HIS H CE1 1548 N NE2 . HIS A 205 ? 0.5922 0.3230 0.3793 -0.0189 0.0529 -0.0250 219 HIS H NE2 1549 N N . PRO A 206 ? 0.6234 0.3180 0.3838 -0.0739 0.1011 0.0273 220 PRO H N 1550 C CA . PRO A 206 ? 0.6627 0.3292 0.4082 -0.0673 0.1042 0.0521 220 PRO H CA 1551 C C . PRO A 206 ? 0.6299 0.2750 0.3797 -0.0318 0.0979 0.0514 220 PRO H C 1552 O O . PRO A 206 ? 0.6749 0.2676 0.4124 -0.0248 0.0975 0.0641 220 PRO H O 1553 C CB . PRO A 206 ? 0.7191 0.4509 0.4592 -0.0725 0.1038 0.0656 220 PRO H CB 1554 C CG . PRO A 206 ? 0.6588 0.4384 0.4086 -0.0933 0.1047 0.0488 220 PRO H CG 1555 C CD . PRO A 206 ? 0.5676 0.3277 0.3318 -0.0841 0.0975 0.0234 220 PRO H CD 1556 N N . ALA A 207 ? 0.6453 0.3263 0.4102 -0.0101 0.0892 0.0363 221 ALA H N 1557 C CA . ALA A 207 ? 0.6530 0.3259 0.4235 0.0213 0.0829 0.0354 221 ALA H CA 1558 C C . ALA A 207 ? 0.7165 0.3421 0.4907 0.0268 0.0872 0.0240 221 ALA H C 1559 O O . ALA A 207 ? 0.6928 0.3002 0.4679 0.0526 0.0835 0.0266 221 ALA H O 1560 C CB . ALA A 207 ? 0.6091 0.3258 0.3913 0.0348 0.0694 0.0214 221 ALA H CB 1561 N N . SER A 208 ? 0.6416 0.2508 0.4183 0.0056 0.0934 0.0082 222 SER H N 1562 C CA . SER A 208 ? 0.6699 0.2399 0.4497 0.0124 0.0969 -0.0084 222 SER H CA 1563 C C . SER A 208 ? 0.7538 0.2636 0.5176 -0.0052 0.1003 -0.0024 222 SER H C 1564 O O . SER A 208 ? 0.8141 0.2885 0.5793 -0.0004 0.1005 -0.0220 222 SER H O 1565 C CB . SER A 208 ? 0.7347 0.3343 0.5273 0.0024 0.0992 -0.0350 222 SER H CB 1566 O OG . SER A 208 ? 0.6995 0.3039 0.4875 -0.0295 0.1024 -0.0378 222 SER H OG 1567 N N . SER A 209 ? 0.9040 0.3262 0.5438 -0.0551 -0.0074 -0.0098 223 SER H N 1568 C CA . SER A 209 ? 0.9215 0.2887 0.5123 -0.0695 0.0024 -0.0159 223 SER H CA 1569 C C . SER A 209 ? 0.9124 0.2859 0.5109 -0.0687 0.0149 -0.0253 223 SER H C 1570 O O . SER A 209 ? 0.9632 0.2863 0.5253 -0.0596 0.0194 -0.0272 223 SER H O 1571 C CB . SER A 209 ? 1.1434 0.4415 0.6835 -0.0549 -0.0050 -0.0082 223 SER H CB 1572 O OG . SER A 209 ? 1.1886 0.4881 0.7421 -0.0155 -0.0095 -0.0028 223 SER H OG 1573 N N . THR A 210 ? 0.8538 0.2838 0.4938 -0.0780 0.0200 -0.0313 224 THR H N 1574 C CA . THR A 210 ? 0.8477 0.2905 0.4974 -0.0821 0.0313 -0.0403 224 THR H CA 1575 C C . THR A 210 ? 0.8398 0.2846 0.4709 -0.1165 0.0395 -0.0474 224 THR H C 1576 O O . THR A 210 ? 0.8576 0.3361 0.5018 -0.1302 0.0383 -0.0477 224 THR H O 1577 C CB . THR A 210 ? 0.8191 0.3236 0.5237 -0.0705 0.0301 -0.0412 224 THR H CB 1578 O OG1 . THR A 210 ? 0.7891 0.3045 0.5127 -0.0420 0.0223 -0.0326 224 THR H OG1 1579 C CG2 . THR A 210 ? 0.8067 0.3231 0.5191 -0.0760 0.0415 -0.0504 224 THR H CG2 1580 N N . LYS A 211 ? 0.8772 0.2868 0.4741 -0.1299 0.0477 -0.0526 225 LYS H N 1581 C CA . LYS A 211 ? 0.9809 0.4039 0.5624 -0.1660 0.0552 -0.0580 225 LYS H CA 1582 C C . LYS A 211 ? 1.0306 0.4452 0.6067 -0.1690 0.0631 -0.0649 225 LYS H C 1583 O O . LYS A 211 ? 1.0558 0.4104 0.5893 -0.1632 0.0645 -0.0649 225 LYS H O 1584 C CB . LYS A 211 ? 1.0639 0.4370 0.5858 -0.1944 0.0544 -0.0545 225 LYS H CB 1585 C CG . LYS A 211 ? 1.2270 0.6334 0.7368 -0.2361 0.0612 -0.0570 225 LYS H CG 1586 C CD . LYS A 211 ? 1.1769 0.6434 0.7136 -0.2438 0.0612 -0.0554 225 LYS H CD 1587 C CE . LYS A 211 ? 1.0576 0.5471 0.5648 -0.2885 0.0674 -0.0546 225 LYS H CE 1588 N NZ . LYS A 211 ? 1.0662 0.6363 0.6086 -0.2895 0.0713 -0.0552 225 LYS H NZ 1589 N N . VAL A 212 ? 0.8428 0.3169 0.4594 -0.1740 0.0672 -0.0699 226 VAL H N 1590 C CA . VAL A 212 ? 0.8918 0.3663 0.5124 -0.1727 0.0736 -0.0762 226 VAL H CA 1591 C C . VAL A 212 ? 0.8172 0.3311 0.4400 -0.2054 0.0783 -0.0804 226 VAL H C 1592 O O . VAL A 212 ? 0.7880 0.3605 0.4417 -0.2109 0.0768 -0.0798 226 VAL H O 1593 C CB . VAL A 212 ? 0.8822 0.3953 0.5543 -0.1418 0.0719 -0.0767 226 VAL H CB 1594 C CG1 . VAL A 212 ? 0.9582 0.4902 0.6421 -0.1469 0.0787 -0.0836 226 VAL H CG1 1595 C CG2 . VAL A 212 ? 0.9277 0.4067 0.5937 -0.1099 0.0690 -0.0721 226 VAL H CG2 1596 N N . ASP A 213 ? 0.8540 0.3374 0.4414 -0.2248 0.0834 -0.0838 227 ASP H N 1597 C CA . ASP A 213 ? 0.8779 0.4050 0.4710 -0.2540 0.0869 -0.0868 227 ASP H CA 1598 C C . ASP A 213 ? 0.9755 0.5065 0.5859 -0.2399 0.0905 -0.0924 227 ASP H C 1599 O O . ASP A 213 ? 0.9284 0.4113 0.5151 -0.2225 0.0928 -0.0925 227 ASP H O 1600 C CB . ASP A 213 ? 0.9367 0.4439 0.4767 -0.2875 0.0873 -0.0810 227 ASP H CB 1601 C CG . ASP A 213 ? 1.0874 0.5929 0.6049 -0.3067 0.0845 -0.0749 227 ASP H CG 1602 O OD1 . ASP A 213 ? 0.9933 0.5481 0.5431 -0.3130 0.0847 -0.0766 227 ASP H OD1 1603 O OD2 . ASP A 213 ? 1.3200 0.7720 0.7825 -0.3159 0.0821 -0.0688 227 ASP H OD2 1604 N N . LYS A 214 ? 0.7691 0.3636 0.4214 -0.2421 0.0904 -0.0954 228 LYS H N 1605 C CA . LYS A 214 ? 0.7832 0.3848 0.4502 -0.2339 0.0934 -0.1005 228 LYS H CA 1606 C C . LYS A 214 ? 0.7617 0.4063 0.4293 -0.2646 0.0937 -0.1020 228 LYS H C 1607 O O . LYS A 214 ? 0.7006 0.4118 0.4044 -0.2637 0.0899 -0.1003 228 LYS H O 1608 C CB . LYS A 214 ? 0.7335 0.3710 0.4519 -0.2008 0.0899 -0.1003 228 LYS H CB 1609 C CG . LYS A 214 ? 0.9125 0.5381 0.6371 -0.1866 0.0943 -0.1045 228 LYS H CG 1610 C CD . LYS A 214 ? 0.9939 0.5585 0.6875 -0.1690 0.0998 -0.1052 228 LYS H CD 1611 C CE . LYS A 214 ? 1.0728 0.6339 0.7800 -0.1451 0.0946 -0.0988 228 LYS H CE 1612 N NZ . LYS A 214 ? 1.1093 0.6203 0.7906 -0.1193 0.0991 -0.0983 228 LYS H NZ 1613 N N . LYS A 215 ? 0.7897 0.4060 0.4187 -0.2832 0.0965 -0.1010 229 LYS H N 1614 C CA . LYS A 215 ? 0.7845 0.4453 0.4137 -0.3116 0.0954 -0.1003 229 LYS H CA 1615 C C . LYS A 215 ? 0.8190 0.5096 0.4851 -0.2979 0.0953 -0.1064 229 LYS H C 1616 O O . LYS A 215 ? 0.8109 0.4695 0.4809 -0.2733 0.0987 -0.1100 229 LYS H O 1617 C CB . LYS A 215 ? 0.8512 0.4686 0.4222 -0.3324 0.0970 -0.0955 229 LYS H CB 1618 C CG . LYS A 215 ? 0.8548 0.5175 0.4191 -0.3648 0.0944 -0.0929 229 LYS H CG 1619 C CD . LYS A 215 ? 1.0188 0.6277 0.5135 -0.3879 0.0949 -0.0876 229 LYS H CD 1620 C CE . LYS A 215 ? 1.1604 0.8169 0.6443 -0.4227 0.0905 -0.0838 229 LYS H CE 1621 N NZ . LYS A 215 ? 1.2925 0.8902 0.6997 -0.4483 0.0899 -0.0784 229 LYS H NZ 1622 N N . ILE A 216 ? 0.7078 0.4653 0.4009 -0.3118 0.0910 -0.1065 230 ILE H N 1623 C CA . ILE A 216 ? 0.6710 0.4606 0.3957 -0.2963 0.0883 -0.1092 230 ILE H CA 1624 C C . ILE A 216 ? 0.7056 0.4807 0.4011 -0.3200 0.0900 -0.1097 230 ILE H C 1625 O O . ILE A 216 ? 0.7439 0.5463 0.4210 -0.3493 0.0874 -0.1043 230 ILE H O 1626 C CB . ILE A 216 ? 0.6248 0.4942 0.3897 -0.2859 0.0809 -0.1057 230 ILE H CB 1627 C CG1 . ILE A 216 ? 0.6091 0.4911 0.3928 -0.2624 0.0793 -0.1032 230 ILE H CG1 1628 C CG2 . ILE A 216 ? 0.5958 0.4814 0.3851 -0.2663 0.0763 -0.1082 230 ILE H CG2 1629 C CD1 . ILE A 216 ? 0.5938 0.4317 0.3867 -0.2332 0.0794 -0.1050 230 ILE H CD1 1630 N N . GLU A 217 ? 0.7077 0.4490 0.4002 -0.3024 0.0938 -0.1130 231 GLU H N 1631 C CA . GLU A 217 ? 0.7573 0.4834 0.4186 -0.3182 0.0957 -0.1111 231 GLU H CA 1632 C C . GLU A 217 ? 0.7116 0.4667 0.3984 -0.3122 0.0929 -0.1143 231 GLU H C 1633 O O . GLU A 217 ? 0.6772 0.4378 0.3946 -0.2894 0.0926 -0.1189 231 GLU H O 1634 C CB . GLU A 217 ? 0.8863 0.5377 0.5045 -0.3079 0.1043 -0.1119 231 GLU H CB 1635 C CG . GLU A 217 ? 1.1490 0.7644 0.7166 -0.3285 0.1045 -0.1060 231 GLU H CG 1636 C CD . GLU A 217 ? 1.3023 0.8435 0.8350 -0.3074 0.1110 -0.1073 231 GLU H CD 1637 O OE1 . GLU A 217 ? 1.3056 0.8352 0.8629 -0.2756 0.1156 -0.1130 231 GLU H OE1 1638 O OE2 . GLU A 217 ? 1.3018 0.7969 0.7795 -0.3229 0.1110 -0.1023 231 GLU H OE2 1639 N N . PRO A 218 ? 0.7277 0.5011 0.3986 -0.3341 0.0897 -0.1112 232 PRO H N 1640 C CA . PRO A 218 ? 0.7274 0.5297 0.4200 -0.3302 0.0851 -0.1132 232 PRO H CA 1641 C C . PRO A 218 ? 0.7072 0.4666 0.3953 -0.3094 0.0931 -0.1181 232 PRO H C 1642 O O . PRO A 218 ? 0.7576 0.4642 0.4120 -0.3062 0.1027 -0.1195 232 PRO H O 1643 C CB . PRO A 218 ? 0.7691 0.5923 0.4359 -0.3607 0.0805 -0.1073 232 PRO H CB 1644 C CG . PRO A 218 ? 0.8623 0.6930 0.5071 -0.3830 0.0796 -0.1016 232 PRO H CG 1645 C CD . PRO A 218 ? 0.8127 0.5893 0.4453 -0.3666 0.0877 -0.1043 232 PRO H CD 1646 N N . ARG A 219 ? 0.6711 0.4539 0.3897 -0.2961 0.0887 -0.1208 233 ARG H N 1647 C CA . ARG A 219 ? 0.6770 0.4347 0.3915 -0.2840 0.0954 -0.1245 233 ARG H CA 1648 C C . ARG A 219 ? 0.6633 0.4509 0.3862 -0.2916 0.0869 -0.1229 233 ARG H C 1649 O O . ARG A 219 ? 0.6513 0.4369 0.3844 -0.2810 0.0874 -0.1250 233 ARG H O 1650 C CB . ARG A 219 ? 0.6686 0.4163 0.4057 -0.2600 0.0995 -0.1286 233 ARG H CB 1651 C CG . ARG A 219 ? 0.6274 0.4090 0.3980 -0.2521 0.0882 -0.1275 233 ARG H CG 1652 C CD . ARG A 219 ? 0.6460 0.4218 0.4363 -0.2287 0.0906 -0.1270 233 ARG H CD 1653 N NE . ARG A 219 ? 0.6445 0.4474 0.4605 -0.2148 0.0786 -0.1213 233 ARG H NE 1654 C CZ . ARG A 219 ? 0.6155 0.4197 0.4483 -0.1982 0.0758 -0.1179 233 ARG H CZ 1655 N NH1 . ARG A 219 ? 0.6200 0.4129 0.4536 -0.1925 0.0849 -0.1186 233 ARG H NH1 1656 N NH2 . ARG A 219 ? 0.6258 0.4447 0.4714 -0.1874 0.0640 -0.1132 233 ARG H NH2 1657 N N . GLY A 220 ? 0.6731 0.4909 0.3898 -0.3120 0.0783 -0.1185 234 GLY H N 1658 C CA . GLY A 220 ? 0.6627 0.5089 0.3825 -0.3212 0.0684 -0.1162 234 GLY H CA 1659 C C . GLY A 220 ? 0.7009 0.5791 0.4064 -0.3484 0.0616 -0.1103 234 GLY H C 1660 O O . GLY A 220 ? 0.7295 0.6098 0.4233 -0.3608 0.0642 -0.1078 234 GLY H O 1661 N N . PRO A 221 ? 0.6830 0.5887 0.3867 -0.3599 0.0518 -0.1070 235 PRO H N 1662 C CA . PRO A 221 ? 0.7235 0.6692 0.4136 -0.3885 0.0441 -0.0994 235 PRO H CA 1663 C C . PRO A 221 ? 0.7158 0.7238 0.4299 -0.3958 0.0362 -0.0969 235 PRO H C 1664 O O . PRO A 221 ? 0.7476 0.7862 0.4939 -0.3788 0.0292 -0.1021 235 PRO H O 1665 C CB . PRO A 221 ? 0.7861 0.7575 0.4803 -0.3922 0.0321 -0.0969 235 PRO H CB 1666 C CG . PRO A 221 ? 0.6969 0.6176 0.3878 -0.3719 0.0394 -0.1024 235 PRO H CG 1667 C CD . PRO A 221 ? 0.6744 0.5730 0.3832 -0.3492 0.0474 -0.1086 235 PRO H CD 1668 N N . THR A 222 ? 0.7867 0.8147 0.4797 -0.4225 0.0366 -0.0889 236 THR H N 1669 C CA . THR A 222 ? 0.9165 1.0160 0.6297 -0.4341 0.0305 -0.0838 236 THR H CA 1670 C C . THR A 222 ? 1.0324 1.2005 0.7383 -0.4628 0.0202 -0.0716 236 THR H C 1671 O O . THR A 222 ? 1.1145 1.3767 0.8526 -0.4656 0.0105 -0.0658 236 THR H O 1672 C CB . THR A 222 ? 0.9060 0.9672 0.5969 -0.4404 0.0415 -0.0837 236 THR H CB 1673 O OG1 . THR A 222 ? 1.0177 1.0155 0.6529 -0.4589 0.0482 -0.0807 236 THR H OG1 1674 C CG2 . THR A 222 ? 0.8595 0.8716 0.5662 -0.4103 0.0498 -0.0937 236 THR H CG2 1675 N N . SER B 1 ? 0.7947 0.6613 0.9442 -0.0595 -0.0713 -0.0741 25 SER L N 1676 C CA . SER B 1 ? 0.7179 0.5723 0.8427 -0.0480 -0.0567 -0.0652 25 SER L CA 1677 C C . SER B 1 ? 0.6856 0.5218 0.7908 -0.0522 -0.0343 -0.0626 25 SER L C 1678 O O . SER B 1 ? 0.6736 0.5119 0.7975 -0.0626 -0.0243 -0.0643 25 SER L O 1679 C CB . SER B 1 ? 0.7060 0.5840 0.8609 -0.0360 -0.0521 -0.0634 25 SER L CB 1680 O OG . SER B 1 ? 0.7720 0.6686 0.9512 -0.0287 -0.0753 -0.0687 25 SER L OG 1681 N N . ILE B 2 ? 0.5864 0.4059 0.6543 -0.0451 -0.0280 -0.0571 26 ILE L N 1682 C CA . ILE B 2 ? 0.5645 0.3680 0.6124 -0.0442 -0.0096 -0.0557 26 ILE L CA 1683 C C . ILE B 2 ? 0.5322 0.3438 0.5987 -0.0419 0.0089 -0.0490 26 ILE L C 1684 O O . ILE B 2 ? 0.5494 0.3739 0.6243 -0.0345 0.0101 -0.0444 26 ILE L O 1685 C CB . ILE B 2 ? 0.5460 0.3428 0.5534 -0.0367 -0.0085 -0.0522 26 ILE L CB 1686 C CG1 . ILE B 2 ? 0.6160 0.4093 0.6003 -0.0387 -0.0251 -0.0598 26 ILE L CG1 1687 C CG2 . ILE B 2 ? 0.6150 0.4005 0.6055 -0.0307 0.0092 -0.0521 26 ILE L CG2 1688 C CD1 . ILE B 2 ? 0.5777 0.3769 0.5220 -0.0331 -0.0226 -0.0562 26 ILE L CD1 1689 N N . VAL B 3 ? 0.5625 0.3629 0.6316 -0.0482 0.0213 -0.0487 27 VAL L N 1690 C CA . VAL B 3 ? 0.5737 0.3810 0.6536 -0.0477 0.0399 -0.0409 27 VAL L CA 1691 C C . VAL B 3 ? 0.5303 0.3173 0.5775 -0.0382 0.0505 -0.0363 27 VAL L C 1692 O O . VAL B 3 ? 0.5893 0.3524 0.6140 -0.0368 0.0480 -0.0402 27 VAL L O 1693 C CB . VAL B 3 ? 0.6169 0.4256 0.7196 -0.0650 0.0454 -0.0388 27 VAL L CB 1694 C CG1 . VAL B 3 ? 0.6114 0.4307 0.7197 -0.0658 0.0659 -0.0285 27 VAL L CG1 1695 C CG2 . VAL B 3 ? 0.6164 0.4554 0.7570 -0.0754 0.0337 -0.0441 27 VAL L CG2 1696 N N . MET B 4 ? 0.5000 0.2972 0.5443 -0.0296 0.0600 -0.0299 28 MET L N 1697 C CA . MET B 4 ? 0.4992 0.2842 0.5180 -0.0209 0.0699 -0.0246 28 MET L CA 1698 C C . MET B 4 ? 0.4933 0.2757 0.5178 -0.0237 0.0849 -0.0177 28 MET L C 1699 O O . MET B 4 ? 0.5063 0.3084 0.5453 -0.0226 0.0918 -0.0152 28 MET L O 1700 C CB . MET B 4 ? 0.4913 0.2874 0.4993 -0.0128 0.0668 -0.0210 28 MET L CB 1701 C CG . MET B 4 ? 0.4714 0.2718 0.4693 -0.0142 0.0518 -0.0229 28 MET L CG 1702 S SD . MET B 4 ? 0.5505 0.3449 0.5206 -0.0103 0.0520 -0.0280 28 MET L SD 1703 C CE . MET B 4 ? 0.5871 0.3983 0.5380 -0.0040 0.0581 -0.0187 28 MET L CE 1704 N N . THR B 5 ? 0.5087 0.2652 0.5185 -0.0259 0.0887 -0.0149 29 THR L N 1705 C CA . THR B 5 ? 0.5316 0.2802 0.5411 -0.0326 0.1010 -0.0045 29 THR L CA 1706 C C . THR B 5 ? 0.4939 0.2327 0.4777 -0.0182 0.1075 0.0011 29 THR L C 1707 O O . THR B 5 ? 0.5684 0.2834 0.5307 -0.0087 0.1025 -0.0010 29 THR L O 1708 C CB . THR B 5 ? 0.5818 0.2994 0.5896 -0.0474 0.0959 -0.0021 29 THR L CB 1709 O OG1 . THR B 5 ? 0.5798 0.3136 0.6160 -0.0635 0.0890 -0.0066 29 THR L OG1 1710 C CG2 . THR B 5 ? 0.5684 0.2735 0.5692 -0.0579 0.1075 0.0138 29 THR L CG2 1711 N N . GLN B 6 ? 0.5033 0.2620 0.4893 -0.0146 0.1172 0.0061 30 GLN L N 1712 C CA . GLN B 6 ? 0.5118 0.2672 0.4757 -0.0013 0.1206 0.0104 30 GLN L CA 1713 C C . GLN B 6 ? 0.5367 0.2798 0.4873 -0.0045 0.1313 0.0223 30 GLN L C 1714 O O . GLN B 6 ? 0.5567 0.3156 0.5183 -0.0146 0.1416 0.0273 30 GLN L O 1715 C CB . GLN B 6 ? 0.4886 0.2682 0.4576 0.0054 0.1190 0.0066 30 GLN L CB 1716 C CG . GLN B 6 ? 0.5046 0.2830 0.4526 0.0162 0.1185 0.0104 30 GLN L CG 1717 C CD . GLN B 6 ? 0.5606 0.3534 0.5110 0.0198 0.1113 0.0064 30 GLN L CD 1718 O OE1 . GLN B 6 ? 0.4986 0.2982 0.4634 0.0167 0.1030 0.0007 30 GLN L OE1 1719 N NE2 . GLN B 6 ? 0.4764 0.2692 0.4104 0.0265 0.1110 0.0096 30 GLN L NE2 1720 N N . THR B 7 ? 0.5297 0.2483 0.4559 0.0051 0.1286 0.0271 31 THR L N 1721 C CA . THR B 7 ? 0.5308 0.2302 0.4367 0.0031 0.1352 0.0411 31 THR L CA 1722 C C . THR B 7 ? 0.6446 0.3401 0.5279 0.0219 0.1316 0.0426 31 THR L C 1723 O O . THR B 7 ? 0.5722 0.2734 0.4551 0.0351 0.1230 0.0338 31 THR L O 1724 C CB . THR B 7 ? 0.6117 0.2685 0.5077 -0.0070 0.1292 0.0485 31 THR L CB 1725 O OG1 . THR B 7 ? 0.6814 0.3155 0.5690 0.0083 0.1150 0.0373 31 THR L OG1 1726 C CG2 . THR B 7 ? 0.6109 0.2746 0.5309 -0.0314 0.1322 0.0505 31 THR L CG2 1727 N N . PRO B 8 ? 0.6288 0.3206 0.4932 0.0226 0.1381 0.0541 32 PRO L N 1728 C CA . PRO B 8 ? 0.6130 0.3125 0.4752 0.0072 0.1517 0.0654 32 PRO L CA 1729 C C . PRO B 8 ? 0.6713 0.4130 0.5510 0.0076 0.1602 0.0557 32 PRO L C 1730 O O . PRO B 8 ? 0.6347 0.3887 0.5206 0.0191 0.1525 0.0439 32 PRO L O 1731 C CB . PRO B 8 ? 0.6006 0.2813 0.4284 0.0141 0.1520 0.0791 32 PRO L CB 1732 C CG . PRO B 8 ? 0.6049 0.2911 0.4267 0.0356 0.1412 0.0697 32 PRO L CG 1733 C CD . PRO B 8 ? 0.5720 0.2584 0.4142 0.0404 0.1318 0.0566 32 PRO L CD 1734 N N . LYS B 9 ? 0.6272 0.3917 0.5137 -0.0044 0.1744 0.0605 33 LYS L N 1735 C CA . LYS B 9 ? 0.5896 0.3934 0.4906 0.0028 0.1804 0.0473 33 LYS L CA 1736 C C . LYS B 9 ? 0.5896 0.3987 0.4630 0.0176 0.1821 0.0455 33 LYS L C 1737 O O . LYS B 9 ? 0.5351 0.3629 0.4139 0.0300 0.1787 0.0302 33 LYS L O 1738 C CB . LYS B 9 ? 0.6593 0.4985 0.5818 -0.0119 0.1959 0.0497 33 LYS L CB 1739 C CG . LYS B 9 ? 0.7192 0.5598 0.6743 -0.0269 0.1911 0.0479 33 LYS L CG 1740 C CD . LYS B 9 ? 0.8917 0.7796 0.8735 -0.0425 0.2065 0.0506 33 LYS L CD 1741 C CE . LYS B 9 ? 1.0103 0.8983 1.0243 -0.0611 0.1991 0.0506 33 LYS L CE 1742 N NZ . LYS B 9 ? 1.1041 1.0486 1.1502 -0.0788 0.2136 0.0541 33 LYS L NZ 1743 N N . PHE B 10 ? 0.6124 0.4004 0.4541 0.0174 0.1838 0.0601 34 PHE L N 1744 C CA . PHE B 10 ? 0.5781 0.3694 0.3892 0.0304 0.1838 0.0595 34 PHE L CA 1745 C C . PHE B 10 ? 0.6376 0.3953 0.4233 0.0369 0.1715 0.0700 34 PHE L C 1746 O O . PHE B 10 ? 0.6431 0.3731 0.4228 0.0294 0.1695 0.0838 34 PHE L O 1747 C CB . PHE B 10 ? 0.6108 0.4253 0.4034 0.0236 0.2031 0.0686 34 PHE L CB 1748 C CG . PHE B 10 ? 0.6295 0.4896 0.4490 0.0214 0.2168 0.0563 34 PHE L CG 1749 C CD1 . PHE B 10 ? 0.5987 0.4749 0.4475 0.0019 0.2263 0.0633 34 PHE L CD1 1750 C CD2 . PHE B 10 ? 0.5958 0.4827 0.4117 0.0404 0.2176 0.0361 34 PHE L CD2 1751 C CE1 . PHE B 10 ? 0.5840 0.5108 0.4625 0.0022 0.2379 0.0508 34 PHE L CE1 1752 C CE2 . PHE B 10 ? 0.6239 0.5558 0.4657 0.0444 0.2285 0.0217 34 PHE L CE2 1753 C CZ . PHE B 10 ? 0.6723 0.6286 0.5476 0.0256 0.2396 0.0293 34 PHE L CZ 1754 N N . LEU B 11 ? 0.6111 0.3703 0.3815 0.0514 0.1609 0.0629 35 LEU L N 1755 C CA . LEU B 11 ? 0.6069 0.3448 0.3554 0.0609 0.1479 0.0710 35 LEU L CA 1756 C C . LEU B 11 ? 0.6787 0.4231 0.3957 0.0703 0.1450 0.0702 35 LEU L C 1757 O O . LEU B 11 ? 0.6844 0.4466 0.4039 0.0753 0.1423 0.0551 35 LEU L O 1758 C CB . LEU B 11 ? 0.6716 0.4116 0.4415 0.0680 0.1321 0.0616 35 LEU L CB 1759 C CG . LEU B 11 ? 0.7188 0.4456 0.5068 0.0662 0.1291 0.0631 35 LEU L CG 1760 C CD1 . LEU B 11 ? 0.7347 0.4789 0.5394 0.0740 0.1160 0.0536 35 LEU L CD1 1761 C CD2 . LEU B 11 ? 0.7133 0.4073 0.4788 0.0707 0.1263 0.0774 35 LEU L CD2 1762 N N . LEU B 12 ? 0.6874 0.4128 0.3715 0.0735 0.1428 0.0861 36 LEU L N 1763 C CA . LEU B 12 ? 0.8323 0.5604 0.4812 0.0837 0.1363 0.0865 36 LEU L CA 1764 C C . LEU B 12 ? 0.8684 0.5799 0.5091 0.0956 0.1162 0.0928 36 LEU L C 1765 O O . LEU B 12 ? 0.9783 0.6631 0.6057 0.0970 0.1133 0.1088 36 LEU L O 1766 C CB . LEU B 12 ? 0.7418 0.4680 0.3533 0.0770 0.1518 0.1016 36 LEU L CB 1767 C CG . LEU B 12 ? 0.7801 0.5061 0.3465 0.0881 0.1445 0.1037 36 LEU L CG 1768 C CD1 . LEU B 12 ? 0.7800 0.5258 0.3508 0.0998 0.1342 0.0787 36 LEU L CD1 1769 C CD2 . LEU B 12 ? 0.8281 0.5622 0.3565 0.0786 0.1644 0.1187 36 LEU L CD2 1770 N N . VAL B 13 ? 0.7534 0.4810 0.4023 0.1042 0.1003 0.0802 37 VAL L N 1771 C CA . VAL B 13 ? 0.8067 0.5343 0.4592 0.1160 0.0812 0.0833 37 VAL L CA 1772 C C . VAL B 13 ? 0.7271 0.4667 0.3591 0.1232 0.0649 0.0786 37 VAL L C 1773 O O . VAL B 13 ? 0.7981 0.5471 0.4239 0.1188 0.0643 0.0667 37 VAL L O 1774 C CB . VAL B 13 ? 0.7660 0.5121 0.4614 0.1147 0.0764 0.0739 37 VAL L CB 1775 C CG1 . VAL B 13 ? 0.7012 0.4733 0.4139 0.1078 0.0676 0.0602 37 VAL L CG1 1776 C CG2 . VAL B 13 ? 0.8933 0.6420 0.5950 0.1298 0.0632 0.0784 37 VAL L CG2 1777 N N . SER B 14 ? 0.7599 0.4968 0.3796 0.1362 0.0490 0.0869 38 SER L N 1778 C CA . SER B 14 ? 0.7699 0.5227 0.3760 0.1426 0.0287 0.0824 38 SER L CA 1779 C C . SER B 14 ? 0.8174 0.6056 0.4643 0.1389 0.0144 0.0717 38 SER L C 1780 O O . SER B 14 ? 0.7290 0.5318 0.4095 0.1394 0.0175 0.0714 38 SER L O 1781 C CB . SER B 14 ? 0.8925 0.6316 0.4698 0.1591 0.0150 0.0965 38 SER L CB 1782 O OG . SER B 14 ? 1.0192 0.7262 0.5505 0.1581 0.0257 0.1101 38 SER L OG 1783 N N . ALA B 15 ? 0.8332 0.6358 0.4747 0.1337 -0.0023 0.0633 39 ALA L N 1784 C CA . ALA B 15 ? 0.7740 0.6132 0.4521 0.1243 -0.0187 0.0575 39 ALA L CA 1785 C C . ALA B 15 ? 0.7816 0.6516 0.4799 0.1380 -0.0283 0.0650 39 ALA L C 1786 O O . ALA B 15 ? 0.8045 0.6654 0.4795 0.1558 -0.0358 0.0723 39 ALA L O 1787 C CB . ALA B 15 ? 0.8134 0.6557 0.4768 0.1150 -0.0408 0.0489 39 ALA L CB 1788 N N . GLY B 16 ? 0.7007 0.6091 0.4410 0.1315 -0.0284 0.0629 40 GLY L N 1789 C CA . GLY B 16 ? 0.6913 0.6392 0.4560 0.1483 -0.0347 0.0659 40 GLY L CA 1790 C C . GLY B 16 ? 0.7364 0.6697 0.5078 0.1646 -0.0182 0.0666 40 GLY L C 1791 O O . GLY B 16 ? 0.6824 0.6538 0.4794 0.1803 -0.0218 0.0640 40 GLY L O 1792 N N . ASP B 17 ? 0.6380 0.5201 0.3879 0.1617 -0.0014 0.0687 41 ASP L N 1793 C CA . ASP B 17 ? 0.7351 0.5955 0.4885 0.1746 0.0101 0.0694 41 ASP L CA 1794 C C . ASP B 17 ? 0.6623 0.5445 0.4483 0.1625 0.0221 0.0612 41 ASP L C 1795 O O . ASP B 17 ? 0.6624 0.5665 0.4641 0.1410 0.0235 0.0578 41 ASP L O 1796 C CB . ASP B 17 ? 0.8299 0.6296 0.5476 0.1725 0.0216 0.0781 41 ASP L CB 1797 C CG . ASP B 17 ? 1.0010 0.7759 0.6786 0.1825 0.0108 0.0891 41 ASP L CG 1798 O OD1 . ASP B 17 ? 0.9458 0.7440 0.6238 0.1981 -0.0083 0.0894 41 ASP L OD1 1799 O OD2 . ASP B 17 ? 1.0764 0.8121 0.7218 0.1742 0.0214 0.0984 41 ASP L OD2 1800 N N . ARG B 18 ? 0.6524 0.5230 0.4447 0.1770 0.0282 0.0582 42 ARG L N 1801 C CA . ARG B 18 ? 0.5930 0.4783 0.4094 0.1689 0.0394 0.0500 42 ARG L CA 1802 C C . ARG B 18 ? 0.6802 0.5128 0.4828 0.1570 0.0534 0.0523 42 ARG L C 1803 O O . ARG B 18 ? 0.7381 0.5236 0.5152 0.1636 0.0542 0.0596 42 ARG L O 1804 C CB . ARG B 18 ? 0.6502 0.5590 0.4807 0.1956 0.0354 0.0412 42 ARG L CB 1805 C CG . ARG B 18 ? 0.6932 0.5974 0.5354 0.1937 0.0467 0.0318 42 ARG L CG 1806 C CD . ARG B 18 ? 0.8231 0.7415 0.6705 0.2275 0.0405 0.0194 42 ARG L CD 1807 N NE . ARG B 18 ? 0.9779 0.9810 0.8547 0.2338 0.0388 0.0120 42 ARG L NE 1808 C CZ . ARG B 18 ? 1.0333 1.0800 0.9290 0.2312 0.0476 0.0020 42 ARG L CZ 1809 N NH1 . ARG B 18 ? 1.0728 1.0809 0.9602 0.2251 0.0565 -0.0037 42 ARG L NH1 1810 N NH2 . ARG B 18 ? 1.0571 1.1898 0.9793 0.2336 0.0472 -0.0014 42 ARG L NH2 1811 N N . ILE B 19 ? 0.5775 0.4196 0.3967 0.1373 0.0628 0.0478 43 ILE L N 1812 C CA . ILE B 19 ? 0.5408 0.3445 0.3550 0.1261 0.0753 0.0482 43 ILE L CA 1813 C C . ILE B 19 ? 0.5518 0.3698 0.3875 0.1235 0.0797 0.0390 43 ILE L C 1814 O O . ILE B 19 ? 0.5466 0.4089 0.4012 0.1208 0.0766 0.0342 43 ILE L O 1815 C CB . ILE B 19 ? 0.5305 0.3264 0.3400 0.1064 0.0818 0.0503 43 ILE L CB 1816 C CG1 . ILE B 19 ? 0.6080 0.4373 0.4374 0.0927 0.0767 0.0445 43 ILE L CG1 1817 C CG2 . ILE B 19 ? 0.7176 0.4979 0.4987 0.1102 0.0789 0.0579 43 ILE L CG2 1818 C CD1 . ILE B 19 ? 0.6437 0.4690 0.4889 0.0791 0.0842 0.0395 43 ILE L CD1 1819 N N . THR B 20 ? 0.5443 0.3258 0.3756 0.1216 0.0863 0.0379 44 THR L N 1820 C CA . THR B 20 ? 0.5580 0.3467 0.4052 0.1181 0.0895 0.0282 44 THR L CA 1821 C C . THR B 20 ? 0.5793 0.3381 0.4279 0.0993 0.0981 0.0302 44 THR L C 1822 O O . THR B 20 ? 0.6504 0.3712 0.4849 0.0965 0.1010 0.0375 44 THR L O 1823 C CB . THR B 20 ? 0.6172 0.3951 0.4590 0.1419 0.0832 0.0194 44 THR L CB 1824 O OG1 . THR B 20 ? 0.6694 0.4917 0.5169 0.1612 0.0762 0.0152 44 THR L OG1 1825 C CG2 . THR B 20 ? 0.5874 0.3683 0.4398 0.1384 0.0860 0.0076 44 THR L CG2 1826 N N . ILE B 21 ? 0.4866 0.2660 0.3527 0.0852 0.1010 0.0253 45 ILE L N 1827 C CA . ILE B 21 ? 0.5141 0.2771 0.3888 0.0691 0.1072 0.0245 45 ILE L CA 1828 C C . ILE B 21 ? 0.5614 0.3220 0.4442 0.0700 0.1047 0.0150 45 ILE L C 1829 O O . ILE B 21 ? 0.5180 0.3059 0.4042 0.0777 0.1004 0.0085 45 ILE L O 1830 C CB . ILE B 21 ? 0.4667 0.2500 0.3526 0.0561 0.1077 0.0243 45 ILE L CB 1831 C CG1 . ILE B 21 ? 0.4826 0.2636 0.3555 0.0575 0.1091 0.0301 45 ILE L CG1 1832 C CG2 . ILE B 21 ? 0.5410 0.3167 0.4412 0.0435 0.1119 0.0208 45 ILE L CG2 1833 C CD1 . ILE B 21 ? 0.5053 0.3000 0.3841 0.0498 0.1040 0.0267 45 ILE L CD1 1834 N N . THR B 22 ? 0.5267 0.2587 0.4119 0.0609 0.1070 0.0144 46 THR L N 1835 C CA . THR B 22 ? 0.5192 0.2417 0.4084 0.0613 0.1018 0.0039 46 THR L CA 1836 C C . THR B 22 ? 0.5634 0.2935 0.4714 0.0426 0.1035 0.0020 46 THR L C 1837 O O . THR B 22 ? 0.5334 0.2611 0.4506 0.0299 0.1097 0.0086 46 THR L O 1838 C CB . THR B 22 ? 0.5991 0.2736 0.4733 0.0665 0.0965 0.0038 46 THR L CB 1839 O OG1 . THR B 22 ? 0.6639 0.3297 0.5200 0.0889 0.0913 0.0039 46 THR L OG1 1840 C CG2 . THR B 22 ? 0.6605 0.3192 0.5355 0.0674 0.0879 -0.0102 46 THR L CG2 1841 N N . CYS B 23 ? 0.5608 0.3046 0.4737 0.0426 0.0977 -0.0077 47 CYS L N 1842 C CA A CYS B 23 ? 0.5881 0.3376 0.5174 0.0277 0.0949 -0.0108 47 CYS L CA 1843 C CA B CYS B 23 ? 0.5837 0.3322 0.5130 0.0276 0.0950 -0.0108 47 CYS L CA 1844 C C . CYS B 23 ? 0.6582 0.3908 0.5818 0.0299 0.0867 -0.0226 47 CYS L C 1845 O O . CYS B 23 ? 0.5940 0.3372 0.5037 0.0437 0.0829 -0.0313 47 CYS L O 1846 C CB A CYS B 23 ? 0.5977 0.3799 0.5330 0.0239 0.0919 -0.0091 47 CYS L CB 1847 C CB B CYS B 23 ? 0.6100 0.3900 0.5470 0.0226 0.0921 -0.0091 47 CYS L CB 1848 S SG A CYS B 23 ? 0.7747 0.5649 0.7291 0.0092 0.0840 -0.0109 47 CYS L SG 1849 S SG B CYS B 23 ? 0.5799 0.3660 0.5293 0.0156 0.0962 -0.0013 47 CYS L SG 1850 N N . LYS B 24 ? 0.5488 0.2591 0.4827 0.0167 0.0834 -0.0239 48 LYS L N 1851 C CA . LYS B 24 ? 0.6284 0.3164 0.5556 0.0166 0.0717 -0.0365 48 LYS L CA 1852 C C . LYS B 24 ? 0.6413 0.3452 0.5876 0.0015 0.0655 -0.0399 48 LYS L C 1853 O O . LYS B 24 ? 0.6133 0.3257 0.5832 -0.0136 0.0688 -0.0327 48 LYS L O 1854 C CB . LYS B 24 ? 0.7051 0.3451 0.6252 0.0113 0.0668 -0.0348 48 LYS L CB 1855 C CG . LYS B 24 ? 0.8761 0.4885 0.7693 0.0333 0.0640 -0.0377 48 LYS L CG 1856 C CD . LYS B 24 ? 1.0542 0.6163 0.9391 0.0236 0.0601 -0.0265 48 LYS L CD 1857 C CE . LYS B 24 ? 1.1202 0.6567 0.9788 0.0483 0.0564 -0.0262 48 LYS L CE 1858 N NZ . LYS B 24 ? 1.2647 0.7576 1.1131 0.0352 0.0549 -0.0074 48 LYS L NZ 1859 N N . ALA B 25 ? 0.5919 0.3041 0.5272 0.0073 0.0562 -0.0516 49 ALA L N 1860 C CA . ALA B 25 ? 0.6214 0.3490 0.5701 -0.0045 0.0470 -0.0545 49 ALA L CA 1861 C C . ALA B 25 ? 0.6662 0.3657 0.6173 -0.0136 0.0337 -0.0652 49 ALA L C 1862 O O . ALA B 25 ? 0.6368 0.3053 0.5660 -0.0046 0.0271 -0.0763 49 ALA L O 1863 C CB . ALA B 25 ? 0.5388 0.2934 0.4697 0.0034 0.0433 -0.0581 49 ALA L CB 1864 N N . SER B 26 ? 0.7418 0.3079 0.6023 -0.0049 -0.0112 -0.0382 50 SER L N 1865 C CA . SER B 26 ? 0.7640 0.3101 0.6321 -0.0267 -0.0283 -0.0439 50 SER L CA 1866 C C . SER B 26 ? 0.7722 0.2984 0.6124 -0.0211 -0.0463 -0.0652 50 SER L C 1867 O O . SER B 26 ? 0.8322 0.3264 0.6672 -0.0365 -0.0635 -0.0750 50 SER L O 1868 C CB . SER B 26 ? 0.7119 0.3018 0.6245 -0.0468 -0.0297 -0.0342 50 SER L CB 1869 O OG . SER B 26 ? 0.6896 0.3179 0.6104 -0.0364 -0.0336 -0.0371 50 SER L OG 1870 N N . GLN B 27 ? 0.7579 0.3013 0.5775 -0.0017 -0.0426 -0.0726 51 GLN L N 1871 C CA . GLN B 27 ? 0.8545 0.3771 0.6359 0.0072 -0.0537 -0.0940 51 GLN L CA 1872 C C . GLN B 27 ? 0.8548 0.3915 0.6139 0.0317 -0.0368 -0.0974 51 GLN L C 1873 O O . GLN B 27 ? 0.7380 0.3010 0.5137 0.0386 -0.0214 -0.0830 51 GLN L O 1874 C CB . GLN B 27 ? 0.8622 0.4023 0.6435 -0.0058 -0.0733 -0.0988 51 GLN L CB 1875 C CG . GLN B 27 ? 0.9040 0.4929 0.7101 -0.0055 -0.0693 -0.0824 51 GLN L CG 1876 C CD . GLN B 27 ? 1.0072 0.6119 0.8178 -0.0175 -0.0939 -0.0848 51 GLN L CD 1877 O OE1 . GLN B 27 ? 1.0517 0.6747 0.9039 -0.0341 -0.1055 -0.0782 51 GLN L OE1 1878 N NE2 . GLN B 27 ? 0.9874 0.5880 0.7552 -0.0096 -0.1022 -0.0939 51 GLN L NE2 1879 N N . SER B 28 ? 0.8153 0.3359 0.5366 0.0436 -0.0394 -0.1180 52 SER L N 1880 C CA . SER B 28 ? 0.8452 0.3835 0.5490 0.0653 -0.0209 -0.1231 52 SER L CA 1881 C C . SER B 28 ? 0.7669 0.3495 0.4765 0.0627 -0.0127 -0.1077 52 SER L C 1882 O O . SER B 28 ? 0.7435 0.3367 0.4482 0.0504 -0.0251 -0.1034 52 SER L O 1883 C CB . SER B 28 ? 0.9464 0.4639 0.6073 0.0777 -0.0227 -0.1506 52 SER L CB 1884 O OG . SER B 28 ? 0.9972 0.5422 0.6464 0.0968 -0.0017 -0.1556 52 SER L OG 1885 N N . VAL B 29 ? 0.7120 0.3179 0.4325 0.0741 0.0055 -0.0992 53 VAL L N 1886 C CA . VAL B 29 ? 0.6542 0.2950 0.3787 0.0710 0.0133 -0.0846 53 VAL L CA 1887 C C . VAL B 29 ? 0.6642 0.3254 0.3720 0.0837 0.0315 -0.0909 53 VAL L C 1888 O O . VAL B 29 ? 0.6412 0.3289 0.3603 0.0823 0.0418 -0.0775 53 VAL L O 1889 C CB . VAL B 29 ? 0.6658 0.3212 0.4272 0.0665 0.0170 -0.0651 53 VAL L CB 1890 C CG1 . VAL B 29 ? 0.6349 0.2855 0.4178 0.0520 0.0024 -0.0577 53 VAL L CG1 1891 C CG2 . VAL B 29 ? 0.6060 0.2546 0.3813 0.0772 0.0271 -0.0648 53 VAL L CG2 1892 N N . ARG B 30 ? 0.7030 0.3531 0.3855 0.0954 0.0358 -0.1124 54 ARG L N 1893 C CA . ARG B 30 ? 0.7328 0.4103 0.4021 0.1080 0.0560 -0.1221 54 ARG L CA 1894 C C . ARG B 30 ? 0.7423 0.4431 0.4481 0.1166 0.0677 -0.1121 54 ARG L C 1895 O O . ARG B 30 ? 0.6965 0.3787 0.4238 0.1251 0.0620 -0.1120 54 ARG L O 1896 C CB . ARG B 30 ? 0.7729 0.4720 0.4125 0.0954 0.0610 -0.1151 54 ARG L CB 1897 C CG . ARG B 30 ? 0.9762 0.6536 0.5782 0.0837 0.0437 -0.1190 54 ARG L CG 1898 C CD . ARG B 30 ? 1.2316 0.9315 0.7940 0.0764 0.0554 -0.1148 54 ARG L CD 1899 N NE . ARG B 30 ? 1.3983 1.0918 0.9419 0.0587 0.0378 -0.0956 54 ARG L NE 1900 C CZ . ARG B 30 ? 1.3390 1.0483 0.8907 0.0482 0.0404 -0.0710 54 ARG L CZ 1901 N NH1 . ARG B 30 ? 1.4526 1.1503 0.9861 0.0358 0.0203 -0.0544 54 ARG L NH1 1902 N NH2 . ARG B 30 ? 1.0624 0.7968 0.6405 0.0504 0.0605 -0.0633 54 ARG L NH2 1903 N N . ASN B 31 ? 0.6218 0.3608 0.3335 0.1126 0.0822 -0.1026 55 ASN L N 1904 C CA . ASN B 31 ? 0.6193 0.3823 0.3656 0.1158 0.0892 -0.0915 55 ASN L CA 1905 C C . ASN B 31 ? 0.6051 0.3732 0.3620 0.0978 0.0845 -0.0686 55 ASN L C 1906 O O . ASN B 31 ? 0.5606 0.3524 0.3378 0.0955 0.0914 -0.0597 55 ASN L O 1907 C CB . ASN B 31 ? 0.5989 0.4048 0.3512 0.1243 0.1092 -0.1006 55 ASN L CB 1908 C CG . ASN B 31 ? 0.7332 0.5637 0.4616 0.1065 0.1212 -0.0931 55 ASN L CG 1909 O OD1 . ASN B 31 ? 0.7290 0.5385 0.4274 0.0928 0.1123 -0.0857 55 ASN L OD1 1910 N ND2 . ASN B 31 ? 0.6869 0.5628 0.4290 0.1055 0.1403 -0.0936 55 ASN L ND2 1911 N N . ASP B 32 ? 0.5567 0.3035 0.3019 0.0860 0.0713 -0.0605 56 ASP L N 1912 C CA . ASP B 32 ? 0.5686 0.3176 0.3230 0.0726 0.0654 -0.0414 56 ASP L CA 1913 C C . ASP B 32 ? 0.5660 0.3066 0.3503 0.0745 0.0602 -0.0342 56 ASP L C 1914 O O . ASP B 32 ? 0.5907 0.3185 0.3832 0.0691 0.0496 -0.0280 56 ASP L O 1915 C CB . ASP B 32 ? 0.5571 0.2909 0.2897 0.0626 0.0513 -0.0369 56 ASP L CB 1916 C CG . ASP B 32 ? 0.7594 0.5009 0.4526 0.0563 0.0566 -0.0382 56 ASP L CG 1917 O OD1 . ASP B 32 ? 0.7598 0.5206 0.4487 0.0500 0.0691 -0.0294 56 ASP L OD1 1918 O OD2 . ASP B 32 ? 0.7748 0.5023 0.4386 0.0554 0.0477 -0.0475 56 ASP L OD2 1919 N N . VAL B 33 ? 0.5180 0.2692 0.3190 0.0825 0.0678 -0.0354 57 VAL L N 1920 C CA . VAL B 33 ? 0.5015 0.2444 0.3219 0.0842 0.0645 -0.0289 57 VAL L CA 1921 C C . VAL B 33 ? 0.5085 0.2700 0.3410 0.0824 0.0696 -0.0222 57 VAL L C 1922 O O . VAL B 33 ? 0.4925 0.2758 0.3277 0.0850 0.0765 -0.0259 57 VAL L O 1923 C CB . VAL B 33 ? 0.5272 0.2535 0.3499 0.0957 0.0626 -0.0361 57 VAL L CB 1924 C CG1 . VAL B 33 ? 0.5218 0.2426 0.3567 0.0967 0.0617 -0.0272 57 VAL L CG1 1925 C CG2 . VAL B 33 ? 0.5499 0.2504 0.3629 0.0923 0.0545 -0.0413 57 VAL L CG2 1926 N N . ALA B 34 ? 0.4727 0.2275 0.3139 0.0774 0.0662 -0.0139 58 ALA L N 1927 C CA . ALA B 34 ? 0.4302 0.1948 0.2799 0.0748 0.0678 -0.0096 58 ALA L CA 1928 C C . ALA B 34 ? 0.4566 0.2117 0.3109 0.0804 0.0665 -0.0091 58 ALA L C 1929 O O . ALA B 34 ? 0.4795 0.2201 0.3328 0.0817 0.0658 -0.0081 58 ALA L O 1930 C CB . ALA B 34 ? 0.4327 0.1923 0.2816 0.0648 0.0646 -0.0021 58 ALA L CB 1931 N N . TRP B 35 ? 0.4235 0.1877 0.2814 0.0817 0.0658 -0.0094 59 TRP L N 1932 C CA . TRP B 35 ? 0.4277 0.1817 0.2810 0.0857 0.0638 -0.0081 59 TRP L CA 1933 C C . TRP B 35 ? 0.4769 0.2318 0.3300 0.0797 0.0620 -0.0082 59 TRP L C 1934 O O . TRP B 35 ? 0.4505 0.2182 0.3100 0.0737 0.0592 -0.0093 59 TRP L O 1935 C CB . TRP B 35 ? 0.4599 0.2180 0.3118 0.0959 0.0592 -0.0100 59 TRP L CB 1936 C CG . TRP B 35 ? 0.4721 0.2180 0.3206 0.1045 0.0587 -0.0113 59 TRP L CG 1937 C CD1 . TRP B 35 ? 0.4772 0.2322 0.3317 0.1110 0.0598 -0.0185 59 TRP L CD1 1938 C CD2 . TRP B 35 ? 0.5194 0.2381 0.3552 0.1066 0.0570 -0.0062 59 TRP L CD2 1939 N NE1 . TRP B 35 ? 0.5119 0.2423 0.3582 0.1189 0.0566 -0.0201 59 TRP L NE1 1940 C CE2 . TRP B 35 ? 0.5153 0.2221 0.3507 0.1146 0.0542 -0.0108 59 TRP L CE2 1941 C CE3 . TRP B 35 ? 0.5179 0.2206 0.3404 0.1014 0.0589 0.0018 59 TRP L CE3 1942 C CZ2 . TRP B 35 ? 0.5643 0.2382 0.3875 0.1154 0.0505 -0.0060 59 TRP L CZ2 1943 C CZ3 . TRP B 35 ? 0.5728 0.2491 0.3834 0.1004 0.0582 0.0084 59 TRP L CZ3 1944 C CH2 . TRP B 35 ? 0.5752 0.2346 0.3865 0.1065 0.0526 0.0054 59 TRP L CH2 1945 N N . TYR B 36 ? 0.4363 0.1776 0.2814 0.0805 0.0643 -0.0081 60 TYR L N 1946 C CA . TYR B 36 ? 0.4434 0.1788 0.2845 0.0773 0.0627 -0.0121 60 TYR L CA 1947 C C . TYR B 36 ? 0.4611 0.1899 0.2834 0.0813 0.0624 -0.0148 60 TYR L C 1948 O O . TYR B 36 ? 0.4947 0.2192 0.3064 0.0853 0.0660 -0.0104 60 TYR L O 1949 C CB . TYR B 36 ? 0.4439 0.1702 0.2916 0.0774 0.0669 -0.0131 60 TYR L CB 1950 C CG . TYR B 36 ? 0.4379 0.1661 0.2975 0.0735 0.0638 -0.0084 60 TYR L CG 1951 C CD1 . TYR B 36 ? 0.4789 0.2121 0.3436 0.0744 0.0656 -0.0049 60 TYR L CD1 1952 C CD2 . TYR B 36 ? 0.4433 0.1638 0.3042 0.0673 0.0574 -0.0069 60 TYR L CD2 1953 C CE1 . TYR B 36 ? 0.4492 0.1826 0.3171 0.0705 0.0607 -0.0008 60 TYR L CE1 1954 C CE2 . TYR B 36 ? 0.4444 0.1632 0.3079 0.0625 0.0533 0.0003 60 TYR L CE2 1955 C CZ . TYR B 36 ? 0.4640 0.1905 0.3295 0.0649 0.0550 0.0027 60 TYR L CZ 1956 O OH . TYR B 36 ? 0.4953 0.2186 0.3562 0.0599 0.0492 0.0094 60 TYR L OH 1957 N N . GLN B 37 ? 0.4755 0.1995 0.2896 0.0785 0.0568 -0.0215 61 GLN L N 1958 C CA . GLN B 37 ? 0.5179 0.2330 0.3061 0.0813 0.0549 -0.0263 61 GLN L CA 1959 C C . GLN B 37 ? 0.5198 0.2202 0.2989 0.0818 0.0596 -0.0372 61 GLN L C 1960 O O . GLN B 37 ? 0.5583 0.2517 0.3478 0.0773 0.0531 -0.0426 61 GLN L O 1961 C CB . GLN B 37 ? 0.5176 0.2415 0.3027 0.0787 0.0390 -0.0281 61 GLN L CB 1962 C CG . GLN B 37 ? 0.5453 0.2574 0.2983 0.0797 0.0314 -0.0350 61 GLN L CG 1963 C CD . GLN B 37 ? 0.5973 0.3211 0.3565 0.0735 0.0117 -0.0398 61 GLN L CD 1964 O OE1 . GLN B 37 ? 0.6042 0.3286 0.3784 0.0631 0.0066 -0.0461 61 GLN L OE1 1965 N NE2 . GLN B 37 ? 0.6012 0.3339 0.3509 0.0789 -0.0014 -0.0358 61 GLN L NE2 1966 N N . GLN B 38 ? 0.5411 0.2354 0.2996 0.0872 0.0712 -0.0407 62 GLN L N 1967 C CA . GLN B 38 ? 0.5629 0.2460 0.3134 0.0921 0.0789 -0.0549 62 GLN L CA 1968 C C . GLN B 38 ? 0.6687 0.3429 0.3769 0.0938 0.0809 -0.0628 62 GLN L C 1969 O O . GLN B 38 ? 0.6172 0.2961 0.3059 0.0950 0.0943 -0.0571 62 GLN L O 1970 C CB . GLN B 38 ? 0.5664 0.2592 0.3379 0.0982 0.0959 -0.0544 62 GLN L CB 1971 C CG . GLN B 38 ? 0.5880 0.2722 0.3593 0.1084 0.1034 -0.0722 62 GLN L CG 1972 C CD . GLN B 38 ? 0.6163 0.3178 0.4208 0.1165 0.1170 -0.0728 62 GLN L CD 1973 O OE1 . GLN B 38 ? 0.6015 0.3195 0.4284 0.1117 0.1188 -0.0595 62 GLN L OE1 1974 N NE2 . GLN B 38 ? 0.7366 0.4380 0.5484 0.1286 0.1236 -0.0894 62 GLN L NE2 1975 N N . LYS B 39 ? 0.5713 0.3364 0.2741 0.1281 0.0622 -0.0580 63 LYS L N 1976 C CA . LYS B 39 ? 0.5775 0.3482 0.2473 0.1501 0.0561 -0.0695 63 LYS L CA 1977 C C . LYS B 39 ? 0.6102 0.3785 0.2590 0.1717 0.0637 -0.0697 63 LYS L C 1978 O O . LYS B 39 ? 0.6728 0.4282 0.3320 0.1684 0.0698 -0.0671 63 LYS L O 1979 C CB . LYS B 39 ? 0.6385 0.3961 0.3048 0.1428 0.0331 -0.0949 63 LYS L CB 1980 C CG . LYS B 39 ? 0.6570 0.4272 0.3485 0.1238 0.0262 -0.0901 63 LYS L CG 1981 C CD . LYS B 39 ? 0.7443 0.5082 0.4383 0.1164 0.0022 -0.1120 63 LYS L CD 1982 C CE . LYS B 39 ? 0.6614 0.4423 0.3852 0.0988 -0.0012 -0.1026 63 LYS L CE 1983 N NZ . LYS B 39 ? 0.8192 0.6037 0.5497 0.0928 -0.0253 -0.1197 63 LYS L NZ 1984 N N . PRO B 40 ? 0.7457 0.5326 0.3719 0.1925 0.0629 -0.0683 64 PRO L N 1985 C CA . PRO B 40 ? 0.7131 0.5044 0.3257 0.2126 0.0698 -0.0642 64 PRO L CA 1986 C C . PRO B 40 ? 0.7667 0.5301 0.3767 0.2095 0.0581 -0.0871 64 PRO L C 1987 O O . PRO B 40 ? 0.7447 0.4917 0.3503 0.2021 0.0381 -0.1120 64 PRO L O 1988 C CB . PRO B 40 ? 0.8192 0.6321 0.4053 0.2345 0.0656 -0.0640 64 PRO L CB 1989 C CG . PRO B 40 ? 0.7673 0.5966 0.3613 0.2273 0.0672 -0.0527 64 PRO L CG 1990 C CD . PRO B 40 ? 0.7585 0.5672 0.3722 0.2010 0.0596 -0.0641 64 PRO L CD 1991 N N . GLY B 41 ? 0.6909 0.4491 0.3075 0.2148 0.0707 -0.0772 65 GLY L N 1992 C CA . GLY B 41 ? 0.8240 0.5560 0.4397 0.2149 0.0629 -0.0951 65 GLY L CA 1993 C C . GLY B 41 ? 0.7301 0.4358 0.3715 0.1898 0.0537 -0.1061 65 GLY L C 1994 O O . GLY B 41 ? 0.7863 0.4679 0.4317 0.1883 0.0457 -0.1212 65 GLY L O 1995 N N . GLN B 42 ? 0.6874 0.3960 0.3470 0.1711 0.0549 -0.0979 66 GLN L N 1996 C CA . GLN B 42 ? 0.6734 0.3595 0.3583 0.1478 0.0474 -0.1039 66 GLN L CA 1997 C C . GLN B 42 ? 0.6514 0.3410 0.3553 0.1380 0.0638 -0.0814 66 GLN L C 1998 O O . GLN B 42 ? 0.6514 0.3626 0.3535 0.1447 0.0783 -0.0626 66 GLN L O 1999 C CB . GLN B 42 ? 0.6644 0.3481 0.3540 0.1333 0.0318 -0.1160 66 GLN L CB 2000 C CG . GLN B 42 ? 0.7717 0.4523 0.4446 0.1405 0.0115 -0.1401 66 GLN L CG 2001 C CD . GLN B 42 ? 0.9251 0.6051 0.6068 0.1255 -0.0048 -0.1499 66 GLN L CD 2002 O OE1 . GLN B 42 ? 0.9315 0.6155 0.6407 0.1060 -0.0006 -0.1368 66 GLN L OE1 2003 N NE2 . GLN B 42 ? 1.0556 0.7401 0.7211 0.1325 -0.0234 -0.1685 66 GLN L NE2 2004 N N . SER B 43 ? 0.6237 0.2959 0.3514 0.1199 0.0600 -0.0814 67 SER L N 2005 C CA . SER B 43 ? 0.5731 0.2589 0.3263 0.1048 0.0699 -0.0594 67 SER L CA 2006 C C . SER B 43 ? 0.5617 0.2656 0.3279 0.0880 0.0674 -0.0529 67 SER L C 2007 O O . SER B 43 ? 0.5746 0.2779 0.3386 0.0834 0.0565 -0.0647 67 SER L O 2008 C CB . SER B 43 ? 0.5524 0.2180 0.3259 0.0940 0.0674 -0.0587 67 SER L CB 2009 O OG . SER B 43 ? 0.6303 0.2781 0.3927 0.1116 0.0714 -0.0632 67 SER L OG 2010 N N . PRO B 44 ? 0.5404 0.2602 0.3208 0.0793 0.0762 -0.0349 68 PRO L N 2011 C CA . PRO B 44 ? 0.5923 0.3251 0.3834 0.0656 0.0744 -0.0304 68 PRO L CA 2012 C C . PRO B 44 ? 0.5144 0.2390 0.3203 0.0505 0.0660 -0.0367 68 PRO L C 2013 O O . PRO B 44 ? 0.5477 0.2582 0.3636 0.0457 0.0638 -0.0376 68 PRO L O 2014 C CB . PRO B 44 ? 0.5661 0.3107 0.3685 0.0601 0.0829 -0.0134 68 PRO L CB 2015 C CG . PRO B 44 ? 0.4912 0.2381 0.2887 0.0739 0.0905 -0.0058 68 PRO L CG 2016 C CD . PRO B 44 ? 0.5719 0.2995 0.3583 0.0836 0.0871 -0.0186 68 PRO L CD 2017 N N . LYS B 45 ? 0.4920 0.2271 0.3021 0.0442 0.0622 -0.0384 69 LYS L N 2018 C CA . LYS B 45 ? 0.4836 0.2195 0.3128 0.0301 0.0572 -0.0387 69 LYS L CA 2019 C C . LYS B 45 ? 0.4623 0.2137 0.2971 0.0244 0.0642 -0.0282 69 LYS L C 2020 O O . LYS B 45 ? 0.4655 0.2261 0.2917 0.0299 0.0675 -0.0262 69 LYS L O 2021 C CB . LYS B 45 ? 0.5834 0.3187 0.4154 0.0291 0.0441 -0.0517 69 LYS L CB 2022 C CG . LYS B 45 ? 0.7420 0.4563 0.5691 0.0336 0.0332 -0.0669 69 LYS L CG 2023 C CD . LYS B 45 ? 0.9047 0.6186 0.7386 0.0297 0.0156 -0.0816 69 LYS L CD 2024 C CE . LYS B 45 ? 1.0004 0.6879 0.8262 0.0355 0.0016 -0.1016 69 LYS L CE 2025 N NZ . LYS B 45 ? 1.1433 0.8323 0.9636 0.0375 -0.0188 -0.1207 69 LYS L NZ 2026 N N . LEU B 46 ? 0.4691 0.2226 0.3182 0.0149 0.0670 -0.0209 70 LEU L N 2027 C CA . LEU B 46 ? 0.4644 0.2303 0.3147 0.0121 0.0735 -0.0135 70 LEU L CA 2028 C C . LEU B 46 ? 0.4290 0.2061 0.2872 0.0109 0.0711 -0.0159 70 LEU L C 2029 O O . LEU B 46 ? 0.4984 0.2783 0.3736 0.0052 0.0657 -0.0167 70 LEU L O 2030 C CB . LEU B 46 ? 0.4305 0.1979 0.2889 0.0065 0.0786 -0.0036 70 LEU L CB 2031 C CG . LEU B 46 ? 0.4135 0.1928 0.2678 0.0068 0.0853 0.0021 70 LEU L CG 2032 C CD1 . LEU B 46 ? 0.4293 0.2066 0.2671 0.0113 0.0860 -0.0012 70 LEU L CD1 2033 C CD2 . LEU B 46 ? 0.4317 0.2159 0.2913 0.0044 0.0909 0.0139 70 LEU L CD2 2034 N N . LEU B 47 ? 0.4503 0.2341 0.3003 0.0162 0.0745 -0.0158 71 LEU L N 2035 C CA . LEU B 47 ? 0.4622 0.2587 0.3202 0.0174 0.0737 -0.0158 71 LEU L CA 2036 C C . LEU B 47 ? 0.4592 0.2631 0.3196 0.0179 0.0826 -0.0097 71 LEU L C 2037 O O . LEU B 47 ? 0.4470 0.2641 0.3222 0.0166 0.0842 -0.0053 71 LEU L O 2038 C CB . LEU B 47 ? 0.4468 0.2460 0.2950 0.0262 0.0718 -0.0187 71 LEU L CB 2039 C CG . LEU B 47 ? 0.4777 0.2739 0.3174 0.0311 0.0633 -0.0258 71 LEU L CG 2040 C CD1 . LEU B 47 ? 0.4787 0.2847 0.3099 0.0420 0.0628 -0.0245 71 LEU L CD1 2041 C CD2 . LEU B 47 ? 0.4620 0.2577 0.3136 0.0246 0.0520 -0.0333 71 LEU L CD2 2042 N N . ILE B 48 ? 0.4316 0.2280 0.2785 0.0211 0.0876 -0.0096 72 ILE L N 2043 C CA . ILE B 48 ? 0.4304 0.2293 0.2721 0.0253 0.0947 -0.0084 72 ILE L CA 2044 C C . ILE B 48 ? 0.4619 0.2542 0.2916 0.0238 0.0963 -0.0080 72 ILE L C 2045 O O . ILE B 48 ? 0.4938 0.2773 0.3186 0.0208 0.0919 -0.0094 72 ILE L O 2046 C CB . ILE B 48 ? 0.4457 0.2385 0.2820 0.0322 0.0956 -0.0119 72 ILE L CB 2047 C CG1 . ILE B 48 ? 0.4876 0.2900 0.3339 0.0358 0.0934 -0.0102 72 ILE L CG1 2048 C CG2 . ILE B 48 ? 0.4899 0.2802 0.3179 0.0391 0.1022 -0.0143 72 ILE L CG2 2049 C CD1 . ILE B 48 ? 0.5402 0.3595 0.3993 0.0382 0.0967 -0.0062 72 ILE L CD1 2050 N N . TYR B 49 ? 0.4948 0.2943 0.3195 0.0275 0.1029 -0.0047 73 TYR L N 2051 C CA . TYR B 49 ? 0.4904 0.2862 0.2984 0.0290 0.1033 -0.0052 73 TYR L CA 2052 C C . TYR B 49 ? 0.5559 0.3546 0.3474 0.0400 0.1098 -0.0087 73 TYR L C 2053 O O . TYR B 49 ? 0.4971 0.3041 0.2945 0.0464 0.1169 -0.0068 73 TYR L O 2054 C CB . TYR B 49 ? 0.4747 0.2780 0.2898 0.0242 0.1048 0.0057 73 TYR L CB 2055 C CG . TYR B 49 ? 0.5347 0.3552 0.3636 0.0256 0.1140 0.0187 73 TYR L CG 2056 C CD1 . TYR B 49 ? 0.5310 0.3612 0.3800 0.0246 0.1164 0.0216 73 TYR L CD1 2057 C CD2 . TYR B 49 ? 0.6806 0.5105 0.5060 0.0280 0.1202 0.0309 73 TYR L CD2 2058 C CE1 . TYR B 49 ? 0.5563 0.4055 0.4259 0.0245 0.1245 0.0368 73 TYR L CE1 2059 C CE2 . TYR B 49 ? 0.6406 0.4891 0.4845 0.0294 0.1304 0.0478 73 TYR L CE2 2060 C CZ . TYR B 49 ? 0.6431 0.5013 0.5114 0.0267 0.1325 0.0509 73 TYR L CZ 2061 O OH . TYR B 49 ? 0.6380 0.5181 0.5324 0.0268 0.1425 0.0708 73 TYR L OH 2062 N N . PHE B 50 ? 0.5433 0.3355 0.3129 0.0437 0.1065 -0.0148 74 PHE L N 2063 C CA . PHE B 50 ? 0.5574 0.3449 0.3030 0.0566 0.1091 -0.0249 74 PHE L CA 2064 C C . PHE B 50 ? 0.5547 0.3286 0.3047 0.0604 0.1086 -0.0346 74 PHE L C 2065 O O . PHE B 50 ? 0.5760 0.3522 0.3183 0.0732 0.1173 -0.0372 74 PHE L O 2066 C CB . PHE B 50 ? 0.5543 0.3622 0.2915 0.0686 0.1229 -0.0144 74 PHE L CB 2067 C CG . PHE B 50 ? 0.6297 0.4490 0.3544 0.0698 0.1239 -0.0053 74 PHE L CG 2068 C CD1 . PHE B 50 ? 0.6471 0.4581 0.3417 0.0752 0.1148 -0.0168 74 PHE L CD1 2069 C CD2 . PHE B 50 ? 0.6824 0.5209 0.4276 0.0658 0.1326 0.0156 74 PHE L CD2 2070 C CE1 . PHE B 50 ? 0.7130 0.5380 0.3944 0.0786 0.1156 -0.0065 74 PHE L CE1 2071 C CE2 . PHE B 50 ? 0.7319 0.5816 0.4674 0.0685 0.1349 0.0275 74 PHE L CE2 2072 C CZ . PHE B 50 ? 0.7024 0.5470 0.4042 0.0759 0.1270 0.0172 74 PHE L CZ 2073 N N . ALA B 51 ? 0.5240 0.2853 0.2881 0.0508 0.1000 -0.0374 75 ALA L N 2074 C CA . ALA B 51 ? 0.5253 0.2719 0.2975 0.0529 0.0982 -0.0433 75 ALA L CA 2075 C C . ALA B 51 ? 0.5579 0.3162 0.3453 0.0579 0.1071 -0.0356 75 ALA L C 2076 O O . ALA B 51 ? 0.5564 0.3097 0.3578 0.0560 0.1050 -0.0333 75 ALA L O 2077 C CB . ALA B 51 ? 0.5833 0.3095 0.3365 0.0622 0.0949 -0.0591 75 ALA L CB 2078 N N . SER B 52 ? 0.5507 0.3271 0.3375 0.0650 0.1170 -0.0294 76 SER L N 2079 C CA . SER B 52 ? 0.5267 0.3161 0.3299 0.0712 0.1241 -0.0224 76 SER L CA 2080 C C . SER B 52 ? 0.5674 0.3846 0.3879 0.0687 0.1299 -0.0085 76 SER L C 2081 O O . SER B 52 ? 0.5977 0.4311 0.4345 0.0744 0.1355 -0.0012 76 SER L O 2082 C CB . SER B 52 ? 0.5151 0.2954 0.3056 0.0882 0.1318 -0.0295 76 SER L CB 2083 O OG . SER B 52 ? 0.6927 0.4788 0.4623 0.0983 0.1393 -0.0316 76 SER L OG 2084 N N . ASN B 53 ? 0.5030 0.3270 0.3249 0.0601 0.1283 -0.0031 77 ASN L N 2085 C CA . ASN B 53 ? 0.5010 0.3489 0.3463 0.0554 0.1325 0.0116 77 ASN L CA 2086 C C . ASN B 53 ? 0.5350 0.3816 0.3994 0.0410 0.1209 0.0124 77 ASN L C 2087 O O . ASN B 53 ? 0.4754 0.3067 0.3304 0.0344 0.1136 0.0065 77 ASN L O 2088 C CB . ASN B 53 ? 0.4648 0.3209 0.3022 0.0569 0.1396 0.0201 77 ASN L CB 2089 C CG . ASN B 53 ? 0.5906 0.4501 0.4028 0.0751 0.1514 0.0184 77 ASN L CG 2090 O OD1 . ASN B 53 ? 0.6457 0.4876 0.4274 0.0807 0.1480 0.0054 77 ASN L OD1 2091 N ND2 . ASN B 53 ? 0.5166 0.3998 0.3418 0.0853 0.1648 0.0314 77 ASN L ND2 2092 N N . ARG B 54 ? 0.4763 0.3400 0.3674 0.0373 0.1185 0.0192 78 ARG L N 2093 C CA . ARG B 54 ? 0.5051 0.3665 0.4118 0.0251 0.1055 0.0172 78 ARG L CA 2094 C C . ARG B 54 ? 0.4749 0.3362 0.3933 0.0156 0.1051 0.0245 78 ARG L C 2095 O O . ARG B 54 ? 0.4558 0.3335 0.3899 0.0158 0.1142 0.0387 78 ARG L O 2096 C CB . ARG B 54 ? 0.4987 0.3792 0.4320 0.0231 0.0992 0.0209 78 ARG L CB 2097 C CG . ARG B 54 ? 0.5329 0.4141 0.4578 0.0321 0.0970 0.0153 78 ARG L CG 2098 C CD . ARG B 54 ? 0.5240 0.4286 0.4771 0.0295 0.0881 0.0201 78 ARG L CD 2099 N NE . ARG B 54 ? 0.5846 0.4981 0.5349 0.0417 0.0908 0.0214 78 ARG L NE 2100 C CZ . ARG B 54 ? 0.6407 0.5731 0.6043 0.0511 0.1015 0.0318 78 ARG L CZ 2101 N NH1 . ARG B 54 ? 0.6300 0.5676 0.5911 0.0633 0.1035 0.0333 78 ARG L NH1 2102 N NH2 . ARG B 54 ? 0.6021 0.5495 0.5822 0.0503 0.1116 0.0431 78 ARG L NH2 2103 N N . TYR B 55 ? 0.4477 0.2915 0.3600 0.0088 0.0959 0.0171 79 TYR L N 2104 C CA . TYR B 55 ? 0.4433 0.2831 0.3698 0.0001 0.0944 0.0241 79 TYR L CA 2105 C C . TYR B 55 ? 0.5350 0.3856 0.4990 -0.0099 0.0864 0.0295 79 TYR L C 2106 O O . TYR B 55 ? 0.4866 0.3462 0.4609 -0.0104 0.0783 0.0242 79 TYR L O 2107 C CB . TYR B 55 ? 0.5018 0.3192 0.4118 -0.0017 0.0874 0.0142 79 TYR L CB 2108 C CG . TYR B 55 ? 0.6368 0.4460 0.5595 -0.0085 0.0868 0.0217 79 TYR L CG 2109 C CD1 . TYR B 55 ? 0.6324 0.4471 0.5518 -0.0064 0.0974 0.0352 79 TYR L CD1 2110 C CD2 . TYR B 55 ? 0.7806 0.5756 0.7171 -0.0152 0.0751 0.0148 79 TYR L CD2 2111 C CE1 . TYR B 55 ? 0.6382 0.4457 0.5716 -0.0114 0.0979 0.0453 79 TYR L CE1 2112 C CE2 . TYR B 55 ? 0.8105 0.5940 0.7615 -0.0207 0.0747 0.0220 79 TYR L CE2 2113 C CZ . TYR B 55 ? 0.6521 0.4426 0.6034 -0.0191 0.0868 0.0390 79 TYR L CZ 2114 O OH . TYR B 55 ? 0.6674 0.4467 0.6355 -0.0235 0.0872 0.0490 79 TYR L OH 2115 N N . THR B 56 ? 0.5095 0.3606 0.4971 -0.0181 0.0879 0.0418 80 THR L N 2116 C CA . THR B 56 ? 0.6085 0.4698 0.6407 -0.0303 0.0793 0.0496 80 THR L CA 2117 C C . THR B 56 ? 0.6234 0.4719 0.6587 -0.0360 0.0582 0.0297 80 THR L C 2118 O O . THR B 56 ? 0.6199 0.4436 0.6341 -0.0350 0.0500 0.0145 80 THR L O 2119 C CB . THR B 56 ? 0.6823 0.5368 0.7393 -0.0391 0.0821 0.0645 80 THR L CB 2120 O OG1 . THR B 56 ? 0.8333 0.6997 0.8771 -0.0300 0.1017 0.0821 80 THR L OG1 2121 C CG2 . THR B 56 ? 0.5970 0.4656 0.7098 -0.0532 0.0747 0.0778 80 THR L CG2 2122 N N . GLY B 57 ? 0.5589 0.4271 0.6192 -0.0398 0.0495 0.0303 81 GLY L N 2123 C CA . GLY B 57 ? 0.6050 0.4658 0.6700 -0.0447 0.0266 0.0118 81 GLY L CA 2124 C C . GLY B 57 ? 0.5739 0.4305 0.5987 -0.0317 0.0229 -0.0049 81 GLY L C 2125 O O . GLY B 57 ? 0.6313 0.4825 0.6519 -0.0321 0.0039 -0.0212 81 GLY L O 2126 N N . VAL B 58 ? 0.5583 0.4169 0.5541 -0.0197 0.0393 -0.0011 82 VAL L N 2127 C CA . VAL B 58 ? 0.5407 0.3964 0.5042 -0.0073 0.0380 -0.0119 82 VAL L CA 2128 C C . VAL B 58 ? 0.5330 0.4147 0.5104 -0.0034 0.0342 -0.0079 82 VAL L C 2129 O O . VAL B 58 ? 0.5307 0.4323 0.5287 -0.0033 0.0448 0.0067 82 VAL L O 2130 C CB . VAL B 58 ? 0.5088 0.3554 0.4440 0.0018 0.0548 -0.0085 82 VAL L CB 2131 C CG1 . VAL B 58 ? 0.4772 0.3243 0.3897 0.0136 0.0556 -0.0137 82 VAL L CG1 2132 C CG2 . VAL B 58 ? 0.4742 0.2983 0.3955 -0.0008 0.0559 -0.0125 82 VAL L CG2 2133 N N . PRO B 59 ? 0.5133 0.3981 0.4795 0.0022 0.0204 -0.0190 83 PRO L N 2134 C CA . PRO B 59 ? 0.5322 0.4449 0.5146 0.0063 0.0147 -0.0138 83 PRO L CA 2135 C C . PRO B 59 ? 0.5252 0.4474 0.4972 0.0193 0.0333 -0.0024 83 PRO L C 2136 O O . PRO B 59 ? 0.5050 0.4096 0.4514 0.0262 0.0466 -0.0028 83 PRO L O 2137 C CB . PRO B 59 ? 0.6461 0.5567 0.6087 0.0123 -0.0045 -0.0296 83 PRO L CB 2138 C CG . PRO B 59 ? 0.6789 0.5609 0.6073 0.0172 -0.0009 -0.0400 83 PRO L CG 2139 C CD . PRO B 59 ? 0.5753 0.4407 0.5150 0.0061 0.0082 -0.0360 83 PRO L CD 2140 N N . ASP B 60 ? 0.5403 0.4907 0.5353 0.0228 0.0324 0.0074 84 ASP L N 2141 C CA . ASP B 60 ? 0.5852 0.5447 0.5769 0.0362 0.0506 0.0191 84 ASP L CA 2142 C C . ASP B 60 ? 0.5933 0.5382 0.5526 0.0499 0.0554 0.0148 84 ASP L C 2143 O O . ASP B 60 ? 0.5475 0.4836 0.4966 0.0594 0.0716 0.0200 84 ASP L O 2144 C CB . ASP B 60 ? 0.7181 0.7135 0.7435 0.0390 0.0473 0.0315 84 ASP L CB 2145 C CG . ASP B 60 ? 0.8274 0.8419 0.8920 0.0282 0.0505 0.0440 84 ASP L CG 2146 O OD1 . ASP B 60 ? 0.8191 0.8191 0.8791 0.0237 0.0625 0.0463 84 ASP L OD1 2147 O OD2 . ASP B 60 ? 0.9150 0.9617 1.0170 0.0246 0.0412 0.0537 84 ASP L OD2 2148 N N . ARG B 61 ? 0.5487 0.4908 0.4920 0.0525 0.0418 0.0062 85 ARG L N 2149 C CA . ARG B 61 ? 0.5175 0.4520 0.4367 0.0669 0.0481 0.0083 85 ARG L CA 2150 C C . ARG B 61 ? 0.5630 0.4684 0.4617 0.0673 0.0611 0.0064 85 ARG L C 2151 O O . ARG B 61 ? 0.5067 0.4044 0.3938 0.0777 0.0693 0.0120 85 ARG L O 2152 C CB . ARG B 61 ? 0.5067 0.4491 0.4103 0.0730 0.0318 0.0017 85 ARG L CB 2153 C CG . ARG B 61 ? 0.4960 0.4205 0.3807 0.0671 0.0220 -0.0132 85 ARG L CG 2154 C CD . ARG B 61 ? 0.5521 0.4879 0.4165 0.0783 0.0058 -0.0208 85 ARG L CD 2155 N NE . ARG B 61 ? 0.5590 0.4766 0.4015 0.0770 -0.0036 -0.0370 85 ARG L NE 2156 C CZ . ARG B 61 ? 0.6037 0.5148 0.4562 0.0647 -0.0206 -0.0523 85 ARG L CZ 2157 N NH1 . ARG B 61 ? 0.6222 0.5470 0.5104 0.0510 -0.0298 -0.0507 85 ARG L NH1 2158 N NH2 . ARG B 61 ? 0.6316 0.5224 0.4617 0.0666 -0.0278 -0.0678 85 ARG L NH2 2159 N N . PHE B 62 ? 0.4638 0.3543 0.3614 0.0560 0.0626 0.0004 86 PHE L N 2160 C CA . PHE B 62 ? 0.4925 0.3589 0.3739 0.0551 0.0727 -0.0013 86 PHE L CA 2161 C C . PHE B 62 ? 0.5179 0.3800 0.4049 0.0554 0.0853 0.0028 86 PHE L C 2162 O O . PHE B 62 ? 0.5261 0.3986 0.4272 0.0501 0.0869 0.0052 86 PHE L O 2163 C CB . PHE B 62 ? 0.4731 0.3266 0.3477 0.0454 0.0670 -0.0093 86 PHE L CB 2164 C CG . PHE B 62 ? 0.4874 0.3412 0.3506 0.0482 0.0549 -0.0166 86 PHE L CG 2165 C CD1 . PHE B 62 ? 0.4795 0.3290 0.3238 0.0591 0.0579 -0.0145 86 PHE L CD1 2166 C CD2 . PHE B 62 ? 0.5221 0.3803 0.3940 0.0412 0.0405 -0.0253 86 PHE L CD2 2167 C CE1 . PHE B 62 ? 0.5518 0.4035 0.3795 0.0663 0.0483 -0.0213 86 PHE L CE1 2168 C CE2 . PHE B 62 ? 0.5558 0.4115 0.4110 0.0469 0.0278 -0.0361 86 PHE L CE2 2169 C CZ . PHE B 62 ? 0.5841 0.4376 0.4141 0.0611 0.0327 -0.0342 86 PHE L CZ 2170 N N . THR B 63 ? 0.5208 0.3674 0.3973 0.0623 0.0939 0.0039 87 THR L N 2171 C CA . THR B 63 ? 0.4821 0.3188 0.3557 0.0650 0.1042 0.0030 87 THR L CA 2172 C C . THR B 63 ? 0.5271 0.3379 0.3860 0.0641 0.1058 -0.0023 87 THR L C 2173 O O . THR B 63 ? 0.5265 0.3301 0.3833 0.0638 0.1024 -0.0004 87 THR L O 2174 C CB . THR B 63 ? 0.5436 0.3888 0.4258 0.0778 0.1121 0.0087 87 THR L CB 2175 O OG1 . THR B 63 ? 0.5499 0.3869 0.4309 0.0857 0.1121 0.0121 87 THR L OG1 2176 C CG2 . THR B 63 ? 0.5967 0.4727 0.4997 0.0784 0.1099 0.0165 87 THR L CG2 2177 N N . GLY B 64 ? 0.5363 0.3353 0.3860 0.0643 0.1106 -0.0079 88 GLY L N 2178 C CA . GLY B 64 ? 0.5208 0.2951 0.3600 0.0633 0.1092 -0.0145 88 GLY L CA 2179 C C . GLY B 64 ? 0.5461 0.3072 0.3761 0.0731 0.1151 -0.0219 88 GLY L C 2180 O O . GLY B 64 ? 0.5749 0.3486 0.4024 0.0807 0.1225 -0.0210 88 GLY L O 2181 N N . SER B 65 ? 0.5299 0.2654 0.3563 0.0737 0.1116 -0.0288 89 SER L N 2182 C CA . SER B 65 ? 0.5559 0.2720 0.3691 0.0843 0.1145 -0.0409 89 SER L CA 2183 C C . SER B 65 ? 0.6062 0.2932 0.4143 0.0777 0.1037 -0.0526 89 SER L C 2184 O O . SER B 65 ? 0.6177 0.3004 0.4404 0.0664 0.0967 -0.0468 89 SER L O 2185 C CB . SER B 65 ? 0.6821 0.3946 0.5046 0.0987 0.1226 -0.0372 89 SER L CB 2186 O OG . SER B 65 ? 0.8068 0.5094 0.6478 0.0960 0.1195 -0.0291 89 SER L OG 2187 N N . GLY B 66 ? 0.5602 0.2290 0.3473 0.0856 0.1019 -0.0692 90 GLY L N 2188 C CA . GLY B 66 ? 0.6085 0.2475 0.3918 0.0795 0.0879 -0.0839 90 GLY L CA 2189 C C . GLY B 66 ? 0.6511 0.2877 0.4039 0.0820 0.0812 -0.1000 90 GLY L C 2190 O O . GLY B 66 ? 0.6323 0.2917 0.3676 0.0879 0.0897 -0.0961 90 GLY L O 2191 N N . SER B 67 ? 0.6601 0.2740 0.4111 0.0768 0.0644 -0.1158 91 SER L N 2192 C CA . SER B 67 ? 0.6887 0.3019 0.4113 0.0791 0.0533 -0.1326 91 SER L CA 2193 C C . SER B 67 ? 0.8121 0.3980 0.5475 0.0661 0.0309 -0.1463 91 SER L C 2194 O O . SER B 67 ? 0.8085 0.3750 0.5746 0.0598 0.0265 -0.1447 91 SER L O 2195 C CB . SER B 67 ? 0.7336 0.3536 0.4325 0.0990 0.0593 -0.1441 91 SER L CB 2196 O OG . SER B 67 ? 0.8643 0.4616 0.5760 0.1044 0.0550 -0.1558 91 SER L OG 2197 N N . GLY B 68 ? 0.7274 0.3136 0.4424 0.0616 0.0165 -0.1576 92 GLY L N 2198 C CA . GLY B 68 ? 0.7626 0.3253 0.4909 0.0490 -0.0083 -0.1729 92 GLY L CA 2199 C C . GLY B 68 ? 0.7343 0.2934 0.5013 0.0280 -0.0151 -0.1559 92 GLY L C 2200 O O . GLY B 68 ? 0.6794 0.2653 0.4505 0.0188 -0.0172 -0.1434 92 GLY L O 2201 N N . THR B 69 ? 0.7087 0.2467 0.5131 0.0207 -0.0168 -0.1501 93 THR L N 2202 C CA . THR B 69 ? 0.6812 0.2311 0.5329 0.0022 -0.0194 -0.1265 93 THR L CA 2203 C C . THR B 69 ? 0.7530 0.3153 0.6283 0.0051 0.0019 -0.1011 93 THR L C 2204 O O . THR B 69 ? 0.7514 0.3317 0.6585 -0.0055 0.0047 -0.0782 93 THR L O 2205 C CB . THR B 69 ? 0.7597 0.2791 0.6465 -0.0126 -0.0426 -0.1350 93 THR L CB 2206 O OG1 . THR B 69 ? 0.7864 0.2829 0.6865 -0.0054 -0.0378 -0.1422 93 THR L OG1 2207 C CG2 . THR B 69 ? 0.8051 0.3167 0.6711 -0.0173 -0.0685 -0.1607 93 THR L CG2 2208 N N . ASP B 70 ? 0.6460 0.2023 0.5058 0.0209 0.0170 -0.1034 94 ASP L N 2209 C CA . ASP B 70 ? 0.6957 0.2612 0.5784 0.0250 0.0338 -0.0809 94 ASP L CA 2210 C C . ASP B 70 ? 0.6884 0.2845 0.5481 0.0359 0.0512 -0.0729 94 ASP L C 2211 O O . ASP B 70 ? 0.6947 0.2901 0.5253 0.0489 0.0568 -0.0857 94 ASP L O 2212 C CB . ASP B 70 ? 0.7850 0.3211 0.6813 0.0334 0.0343 -0.0868 94 ASP L CB 2213 C CG . ASP B 70 ? 0.9535 0.4615 0.8839 0.0203 0.0145 -0.0938 94 ASP L CG 2214 O OD1 . ASP B 70 ? 0.9502 0.4582 0.9135 0.0050 0.0106 -0.0754 94 ASP L OD1 2215 O OD2 . ASP B 70 ? 1.1131 0.6015 1.0410 0.0250 0.0048 -0.1170 94 ASP L OD2 2216 N N . PHE B 71 ? 0.5536 0.1768 0.4274 0.0315 0.0592 -0.0515 95 PHE L N 2217 C CA . PHE B 71 ? 0.5260 0.1773 0.3832 0.0384 0.0714 -0.0446 95 PHE L CA 2218 C C . PHE B 71 ? 0.6139 0.2809 0.4895 0.0416 0.0813 -0.0242 95 PHE L C 2219 O O . PHE B 71 ? 0.6174 0.2844 0.5168 0.0359 0.0800 -0.0101 95 PHE L O 2220 C CB . PHE B 71 ? 0.5830 0.2531 0.4286 0.0305 0.0675 -0.0443 95 PHE L CB 2221 C CG . PHE B 71 ? 0.5735 0.2332 0.3975 0.0295 0.0575 -0.0624 95 PHE L CG 2222 C CD1 . PHE B 71 ? 0.5500 0.1941 0.3833 0.0195 0.0415 -0.0698 95 PHE L CD1 2223 C CD2 . PHE B 71 ? 0.5526 0.2196 0.3483 0.0396 0.0635 -0.0710 95 PHE L CD2 2224 C CE1 . PHE B 71 ? 0.5801 0.2151 0.3890 0.0205 0.0294 -0.0889 95 PHE L CE1 2225 C CE2 . PHE B 71 ? 0.5704 0.2298 0.3407 0.0425 0.0549 -0.0872 95 PHE L CE2 2226 C CZ . PHE B 71 ? 0.5987 0.2416 0.3728 0.0334 0.0369 -0.0976 95 PHE L CZ 2227 N N . THR B 72 ? 0.5518 0.2348 0.4174 0.0517 0.0910 -0.0212 96 THR L N 2228 C CA . THR B 72 ? 0.5255 0.2277 0.4023 0.0566 0.0981 -0.0039 96 THR L CA 2229 C C . THR B 72 ? 0.5495 0.2776 0.4128 0.0579 0.1007 -0.0034 96 THR L C 2230 O O . THR B 72 ? 0.5389 0.2708 0.3886 0.0575 0.1008 -0.0131 96 THR L O 2231 C CB . THR B 72 ? 0.5934 0.2890 0.4805 0.0687 0.1049 0.0023 96 THR L CB 2232 O OG1 . THR B 72 ? 0.6082 0.3045 0.4812 0.0777 0.1091 -0.0083 96 THR L OG1 2233 C CG2 . THR B 72 ? 0.6278 0.2934 0.5348 0.0666 0.1016 0.0035 96 THR L CG2 2234 N N . PHE B 73 ? 0.4754 0.2214 0.3436 0.0600 0.1023 0.0087 97 PHE L N 2235 C CA . PHE B 73 ? 0.4765 0.2443 0.3357 0.0612 0.1016 0.0083 97 PHE L CA 2236 C C . PHE B 73 ? 0.5029 0.2860 0.3672 0.0720 0.1043 0.0191 97 PHE L C 2237 O O . PHE B 73 ? 0.5137 0.2961 0.3856 0.0770 0.1071 0.0314 97 PHE L O 2238 C CB . PHE B 73 ? 0.4840 0.2567 0.3377 0.0543 0.0977 0.0085 97 PHE L CB 2239 C CG . PHE B 73 ? 0.4335 0.2236 0.2797 0.0566 0.0947 0.0074 97 PHE L CG 2240 C CD1 . PHE B 73 ? 0.4759 0.2702 0.3183 0.0507 0.0913 -0.0010 97 PHE L CD1 2241 C CD2 . PHE B 73 ? 0.4965 0.2984 0.3398 0.0652 0.0945 0.0152 97 PHE L CD2 2242 C CE1 . PHE B 73 ? 0.4878 0.2938 0.3275 0.0509 0.0854 -0.0040 97 PHE L CE1 2243 C CE2 . PHE B 73 ? 0.5295 0.3440 0.3629 0.0680 0.0882 0.0098 97 PHE L CE2 2244 C CZ . PHE B 73 ? 0.5051 0.3198 0.3386 0.0596 0.0824 -0.0009 97 PHE L CZ 2245 N N . THR B 74 ? 0.4960 0.2955 0.3588 0.0760 0.1033 0.0168 98 THR L N 2246 C CA . THR B 74 ? 0.4811 0.2982 0.3488 0.0875 0.1039 0.0268 98 THR L CA 2247 C C . THR B 74 ? 0.4821 0.3221 0.3445 0.0868 0.0950 0.0230 98 THR L C 2248 O O . THR B 74 ? 0.4827 0.3264 0.3465 0.0785 0.0909 0.0142 98 THR L O 2249 C CB . THR B 74 ? 0.5335 0.3491 0.4113 0.0955 0.1100 0.0292 98 THR L CB 2250 O OG1 . THR B 74 ? 0.6068 0.3961 0.4901 0.0973 0.1158 0.0308 98 THR L OG1 2251 C CG2 . THR B 74 ? 0.5873 0.4262 0.4721 0.1082 0.1096 0.0411 98 THR L CG2 2252 N N . ILE B 75 ? 0.4665 0.3216 0.3230 0.0960 0.0912 0.0299 99 ILE L N 2253 C CA . ILE B 75 ? 0.4864 0.3642 0.3391 0.0983 0.0793 0.0251 99 ILE L CA 2254 C C . ILE B 75 ? 0.5172 0.4144 0.3794 0.1107 0.0800 0.0363 99 ILE L C 2255 O O . ILE B 75 ? 0.5352 0.4365 0.3937 0.1236 0.0852 0.0497 99 ILE L O 2256 C CB . ILE B 75 ? 0.5427 0.4251 0.3753 0.1031 0.0721 0.0216 99 ILE L CB 2257 C CG1 . ILE B 75 ? 0.5084 0.3710 0.3337 0.0938 0.0746 0.0145 99 ILE L CG1 2258 C CG2 . ILE B 75 ? 0.5513 0.4517 0.3796 0.1029 0.0551 0.0103 99 ILE L CG2 2259 C CD1 . ILE B 75 ? 0.5226 0.3881 0.3262 0.1027 0.0711 0.0124 99 ILE L CD1 2260 N N . SER B 76 ? 0.4722 0.3773 0.3803 0.0610 0.0870 0.0551 100 SER L N 2261 C CA . SER B 76 ? 0.4916 0.4155 0.4141 0.0717 0.0895 0.0684 100 SER L CA 2262 C C . SER B 76 ? 0.6278 0.5650 0.5456 0.0734 0.0759 0.0727 100 SER L C 2263 O O . SER B 76 ? 0.7476 0.6900 0.6655 0.0847 0.0801 0.0828 100 SER L O 2264 C CB . SER B 76 ? 0.5796 0.5282 0.5274 0.0714 0.0913 0.0780 100 SER L CB 2265 O OG . SER B 76 ? 0.6468 0.6100 0.6078 0.0572 0.0748 0.0790 100 SER L OG 2266 N N . THR B 77 ? 0.6014 0.5438 0.5148 0.0638 0.0580 0.0650 101 THR L N 2267 C CA . THR B 77 ? 0.6528 0.6066 0.5535 0.0685 0.0413 0.0641 101 THR L CA 2268 C C . THR B 77 ? 0.6057 0.5432 0.4814 0.0639 0.0293 0.0462 101 THR L C 2269 O O . THR B 77 ? 0.5361 0.4698 0.4206 0.0520 0.0137 0.0363 101 THR L O 2270 C CB . THR B 77 ? 0.7559 0.7370 0.6816 0.0650 0.0233 0.0714 101 THR L CB 2271 O OG1 . THR B 77 ? 0.9330 0.9117 0.8720 0.0494 0.0055 0.0619 101 THR L OG1 2272 C CG2 . THR B 77 ? 0.5839 0.5833 0.5401 0.0692 0.0373 0.0893 101 THR L CG2 2273 N N . VAL B 78 ? 0.5714 0.5005 0.4192 0.0744 0.0367 0.0441 102 VAL L N 2274 C CA . VAL B 78 ? 0.5288 0.4437 0.3498 0.0752 0.0295 0.0278 102 VAL L CA 2275 C C . VAL B 78 ? 0.6595 0.5825 0.4661 0.0789 0.0019 0.0146 102 VAL L C 2276 O O . VAL B 78 ? 0.6447 0.5878 0.4461 0.0889 -0.0077 0.0208 102 VAL L O 2277 C CB . VAL B 78 ? 0.5799 0.4922 0.3797 0.0884 0.0466 0.0351 102 VAL L CB 2278 C CG1 . VAL B 78 ? 0.5982 0.5048 0.3658 0.0965 0.0395 0.0202 102 VAL L CG1 2279 C CG2 . VAL B 78 ? 0.5476 0.4438 0.3643 0.0815 0.0669 0.0421 102 VAL L CG2 2280 N N . GLN B 79 ? 0.5865 0.4921 0.3870 0.0718 -0.0134 -0.0047 103 GLN L N 2281 C CA . GLN B 79 ? 0.6265 0.5305 0.4094 0.0771 -0.0440 -0.0240 103 GLN L CA 2282 C C . GLN B 79 ? 0.6378 0.5273 0.3785 0.0927 -0.0433 -0.0410 103 GLN L C 2283 O O . GLN B 79 ? 0.6311 0.5091 0.3679 0.0919 -0.0226 -0.0385 103 GLN L O 2284 C CB . GLN B 79 ? 0.6543 0.5480 0.4717 0.0566 -0.0674 -0.0322 103 GLN L CB 2285 C CG . GLN B 79 ? 0.7867 0.7020 0.6488 0.0437 -0.0648 -0.0111 103 GLN L CG 2286 C CD . GLN B 79 ? 0.8402 0.7523 0.7456 0.0227 -0.0855 -0.0111 103 GLN L CD 2287 O OE1 . GLN B 79 ? 0.8814 0.7710 0.7849 0.0166 -0.1073 -0.0293 103 GLN L OE1 2288 N NE2 . GLN B 79 ? 0.7515 0.6872 0.6994 0.0127 -0.0785 0.0114 103 GLN L NE2 2289 N N . ALA B 80 ? 0.6767 0.5693 0.3846 0.1097 -0.0668 -0.0584 104 ALA L N 2290 C CA . ALA B 80 ? 0.6950 0.5791 0.3574 0.1314 -0.0651 -0.0745 104 ALA L CA 2291 C C . ALA B 80 ? 0.7423 0.5957 0.4120 0.1208 -0.0670 -0.0904 104 ALA L C 2292 O O . ALA B 80 ? 0.7496 0.5982 0.3977 0.1327 -0.0490 -0.0917 104 ALA L O 2293 C CB . ALA B 80 ? 0.7500 0.6394 0.3731 0.1536 -0.0958 -0.0965 104 ALA L CB 2294 N N . GLU B 81 ? 0.7369 0.5720 0.4410 0.0985 -0.0882 -0.0990 105 GLU L N 2295 C CA . GLU B 81 ? 0.8290 0.6354 0.5455 0.0871 -0.0904 -0.1101 105 GLU L CA 2296 C C . GLU B 81 ? 0.7477 0.5548 0.4812 0.0766 -0.0565 -0.0905 105 GLU L C 2297 O O . GLU B 81 ? 0.6998 0.4862 0.4390 0.0702 -0.0546 -0.0974 105 GLU L O 2298 C CB . GLU B 81 ? 0.9350 0.7260 0.6935 0.0641 -0.1205 -0.1164 105 GLU L CB 2299 C CG . GLU B 81 ? 1.1546 0.9661 0.9609 0.0426 -0.1120 -0.0898 105 GLU L CG 2300 C CD . GLU B 81 ? 1.3561 1.1572 1.2125 0.0189 -0.1379 -0.0887 105 GLU L CD 2301 O OE1 . GLU B 81 ? 1.4601 1.2322 1.3209 0.0139 -0.1540 -0.1040 105 GLU L OE1 2302 O OE2 . GLU B 81 ? 1.3886 1.2120 1.2836 0.0058 -0.1421 -0.0701 105 GLU L OE2 2303 N N . ASP B 82 ? 0.6068 0.4352 0.3491 0.0754 -0.0323 -0.0675 106 ASP L N 2304 C CA . ASP B 82 ? 0.5719 0.3979 0.3291 0.0668 -0.0048 -0.0524 106 ASP L CA 2305 C C . ASP B 82 ? 0.5940 0.4209 0.3253 0.0825 0.0143 -0.0506 106 ASP L C 2306 O O . ASP B 82 ? 0.5630 0.3871 0.3073 0.0759 0.0340 -0.0393 106 ASP L O 2307 C CB . ASP B 82 ? 0.5718 0.4152 0.3522 0.0601 0.0100 -0.0309 106 ASP L CB 2308 C CG . ASP B 82 ? 0.5658 0.4146 0.3792 0.0446 -0.0036 -0.0268 106 ASP L CG 2309 O OD1 . ASP B 82 ? 0.5809 0.4168 0.4095 0.0327 -0.0197 -0.0355 106 ASP L OD1 2310 O OD2 . ASP B 82 ? 0.5606 0.4283 0.3883 0.0450 0.0018 -0.0123 106 ASP L OD2 2311 N N . LEU B 83 ? 0.6116 0.4452 0.3077 0.1045 0.0085 -0.0602 107 LEU L N 2312 C CA . LEU B 83 ? 0.6143 0.4535 0.2886 0.1216 0.0266 -0.0565 107 LEU L CA 2313 C C . LEU B 83 ? 0.6025 0.4196 0.2874 0.1119 0.0298 -0.0646 107 LEU L C 2314 O O . LEU B 83 ? 0.6706 0.4662 0.3539 0.1080 0.0101 -0.0850 107 LEU L O 2315 C CB . LEU B 83 ? 0.6911 0.5404 0.3205 0.1508 0.0153 -0.0708 107 LEU L CB 2316 C CG . LEU B 83 ? 0.8755 0.7284 0.4725 0.1759 0.0245 -0.0777 107 LEU L CG 2317 C CD1 . LEU B 83 ? 1.0263 0.9032 0.6336 0.1809 0.0574 -0.0472 107 LEU L CD1 2318 C CD2 . LEU B 83 ? 0.9928 0.8577 0.5414 0.2071 0.0085 -0.0943 107 LEU L CD2 2319 N N . ALA B 84 ? 0.5773 0.3990 0.2770 0.1074 0.0525 -0.0477 108 ALA L N 2320 C CA . ALA B 84 ? 0.5865 0.3902 0.3024 0.0950 0.0563 -0.0512 108 ALA L CA 2321 C C . ALA B 84 ? 0.6161 0.4300 0.3491 0.0919 0.0789 -0.0303 108 ALA L C 2322 O O . ALA B 84 ? 0.5667 0.3972 0.3068 0.0946 0.0900 -0.0124 108 ALA L O 2323 C CB . ALA B 84 ? 0.5563 0.3428 0.2975 0.0720 0.0449 -0.0557 108 ALA L CB 2324 N N . VAL B 85 ? 0.5493 0.3519 0.2929 0.0854 0.0831 -0.0322 109 VAL L N 2325 C CA . VAL B 85 ? 0.5216 0.3266 0.2900 0.0756 0.0969 -0.0162 109 VAL L CA 2326 C C . VAL B 85 ? 0.5361 0.3241 0.3221 0.0560 0.0910 -0.0205 109 VAL L C 2327 O O . VAL B 85 ? 0.5637 0.3378 0.3479 0.0495 0.0804 -0.0329 109 VAL L O 2328 C CB . VAL B 85 ? 0.5516 0.3594 0.3220 0.0823 0.1045 -0.0137 109 VAL L CB 2329 C CG1 . VAL B 85 ? 0.5301 0.3385 0.3315 0.0696 0.1133 0.0016 109 VAL L CG1 2330 C CG2 . VAL B 85 ? 0.5995 0.4308 0.3497 0.1071 0.1135 -0.0069 109 VAL L CG2 2331 N N . TYR B 86 ? 0.4783 0.2680 0.2815 0.0486 0.0974 -0.0095 110 TYR L N 2332 C CA . TYR B 86 ? 0.4747 0.2523 0.2898 0.0357 0.0943 -0.0128 110 TYR L CA 2333 C C . TYR B 86 ? 0.5002 0.2705 0.3298 0.0304 0.0987 -0.0089 110 TYR L C 2334 O O . TYR B 86 ? 0.5266 0.3025 0.3686 0.0333 0.1049 0.0023 110 TYR L O 2335 C CB . TYR B 86 ? 0.4654 0.2483 0.2861 0.0353 0.0953 -0.0072 110 TYR L CB 2336 C CG . TYR B 86 ? 0.4695 0.2607 0.2803 0.0384 0.0870 -0.0110 110 TYR L CG 2337 C CD1 . TYR B 86 ? 0.5048 0.3087 0.3025 0.0503 0.0863 -0.0080 110 TYR L CD1 2338 C CD2 . TYR B 86 ? 0.4730 0.2621 0.2893 0.0305 0.0785 -0.0161 110 TYR L CD2 2339 C CE1 . TYR B 86 ? 0.5368 0.3471 0.3245 0.0536 0.0739 -0.0144 110 TYR L CE1 2340 C CE2 . TYR B 86 ? 0.4718 0.2682 0.2861 0.0311 0.0666 -0.0191 110 TYR L CE2 2341 C CZ . TYR B 86 ? 0.5196 0.3248 0.3183 0.0426 0.0626 -0.0205 110 TYR L CZ 2342 O OH . TYR B 86 ? 0.5034 0.3147 0.2992 0.0439 0.0461 -0.0263 110 TYR L OH 2343 N N . PHE B 87 ? 0.5032 0.2625 0.3340 0.0228 0.0942 -0.0164 111 PHE L N 2344 C CA . PHE B 87 ? 0.4809 0.2326 0.3236 0.0187 0.0943 -0.0154 111 PHE L CA 2345 C C . PHE B 87 ? 0.4708 0.2134 0.3095 0.0145 0.0899 -0.0229 111 PHE L C 2346 O O . PHE B 87 ? 0.4810 0.2257 0.3109 0.0131 0.0882 -0.0257 111 PHE L O 2347 C CB . PHE B 87 ? 0.5385 0.2918 0.3848 0.0192 0.0941 -0.0144 111 PHE L CB 2348 C CG . PHE B 87 ? 0.5665 0.3160 0.4003 0.0192 0.0896 -0.0227 111 PHE L CG 2349 C CD1 . PHE B 87 ? 0.5978 0.3508 0.4196 0.0266 0.0887 -0.0262 111 PHE L CD1 2350 C CD2 . PHE B 87 ? 0.5544 0.2958 0.3886 0.0133 0.0844 -0.0269 111 PHE L CD2 2351 C CE1 . PHE B 87 ? 0.6010 0.3449 0.4161 0.0264 0.0811 -0.0347 111 PHE L CE1 2352 C CE2 . PHE B 87 ? 0.5265 0.2630 0.3550 0.0128 0.0796 -0.0310 111 PHE L CE2 2353 C CZ . PHE B 87 ? 0.5729 0.3085 0.3942 0.0185 0.0771 -0.0352 111 PHE L CZ 2354 N N . CYS B 88 ? 0.4663 0.1998 0.3128 0.0139 0.0871 -0.0249 112 CYS L N 2355 C CA . CYS B 88 ? 0.4832 0.2092 0.3200 0.0153 0.0825 -0.0338 112 CYS L CA 2356 C C . CYS B 88 ? 0.5386 0.2607 0.3736 0.0121 0.0759 -0.0379 112 CYS L C 2357 O O . CYS B 88 ? 0.5226 0.2463 0.3688 0.0082 0.0747 -0.0337 112 CYS L O 2358 C CB . CYS B 88 ? 0.4763 0.1902 0.3186 0.0200 0.0787 -0.0388 112 CYS L CB 2359 S SG . CYS B 88 ? 0.6074 0.3078 0.4787 0.0144 0.0692 -0.0360 112 CYS L SG 2360 N N . GLN B 89 ? 0.5212 0.2411 0.3411 0.0162 0.0724 -0.0448 113 GLN L N 2361 C CA . GLN B 89 ? 0.5312 0.2487 0.3457 0.0155 0.0646 -0.0489 113 GLN L CA 2362 C C . GLN B 89 ? 0.5396 0.2532 0.3337 0.0261 0.0595 -0.0593 113 GLN L C 2363 O O . GLN B 89 ? 0.5398 0.2613 0.3207 0.0342 0.0672 -0.0581 113 GLN L O 2364 C CB . GLN B 89 ? 0.5150 0.2424 0.3256 0.0124 0.0684 -0.0412 113 GLN L CB 2365 C CG . GLN B 89 ? 0.5540 0.2811 0.3595 0.0126 0.0608 -0.0423 113 GLN L CG 2366 C CD . GLN B 89 ? 0.5618 0.2977 0.3629 0.0117 0.0644 -0.0325 113 GLN L CD 2367 O OE1 . GLN B 89 ? 0.5750 0.3189 0.3730 0.0126 0.0709 -0.0255 113 GLN L OE1 2368 N NE2 . GLN B 89 ? 0.5612 0.2963 0.3670 0.0096 0.0592 -0.0298 113 GLN L NE2 2369 N N . GLN B 90 ? 0.5396 0.2430 0.3308 0.0280 0.0457 -0.0695 114 GLN L N 2370 C CA . GLN B 90 ? 0.5590 0.2606 0.3218 0.0426 0.0391 -0.0818 114 GLN L CA 2371 C C . GLN B 90 ? 0.5914 0.3071 0.3395 0.0444 0.0391 -0.0755 114 GLN L C 2372 O O . GLN B 90 ? 0.5613 0.2775 0.3245 0.0343 0.0343 -0.0700 114 GLN L O 2373 C CB . GLN B 90 ? 0.5795 0.2581 0.3445 0.0466 0.0186 -0.1009 114 GLN L CB 2374 C CG . GLN B 90 ? 0.6582 0.3298 0.4446 0.0353 0.0021 -0.1021 114 GLN L CG 2375 C CD . GLN B 90 ? 0.6652 0.3426 0.4272 0.0431 -0.0089 -0.1091 114 GLN L CD 2376 O OE1 . GLN B 90 ? 0.6530 0.3366 0.3780 0.0604 -0.0070 -0.1166 114 GLN L OE1 2377 N NE2 . GLN B 90 ? 0.6205 0.2997 0.4031 0.0324 -0.0195 -0.1044 114 GLN L NE2 2378 N N . GLY B 91 ? 0.6166 0.3471 0.3373 0.0589 0.0459 -0.0732 115 GLY L N 2379 C CA . GLY B 91 ? 0.5802 0.3273 0.2872 0.0627 0.0472 -0.0627 115 GLY L CA 2380 C C . GLY B 91 ? 0.6778 0.4282 0.3482 0.0836 0.0378 -0.0756 115 GLY L C 2381 O O . GLY B 91 ? 0.6564 0.4280 0.3072 0.0938 0.0429 -0.0636 115 GLY L O 2382 N N . TYR B 92 ? 0.6715 0.4006 0.3323 0.0918 0.0227 -0.0999 116 TYR L N 2383 C CA . TYR B 92 ? 0.7339 0.4617 0.3538 0.1161 0.0095 -0.1190 116 TYR L CA 2384 C C . TYR B 92 ? 0.7189 0.4465 0.3323 0.1144 -0.0088 -0.1229 116 TYR L C 2385 O O . TYR B 92 ? 0.7831 0.5287 0.3601 0.1336 -0.0100 -0.1220 116 TYR L O 2386 C CB . TYR B 92 ? 0.7926 0.4903 0.4090 0.1244 -0.0063 -0.1466 116 TYR L CB 2387 C CG . TYR B 92 ? 0.8395 0.5251 0.4153 0.1492 -0.0290 -0.1749 116 TYR L CG 2388 C CD1 . TYR B 92 ? 0.8208 0.5344 0.3578 0.1768 -0.0192 -0.1736 116 TYR L CD1 2389 C CD2 . TYR B 92 ? 0.8381 0.4967 0.4314 0.1410 -0.0606 -0.1956 116 TYR L CD2 2390 C CE1 . TYR B 92 ? 0.9045 0.6191 0.4182 0.1964 -0.0401 -0.1934 116 TYR L CE1 2391 C CE2 . TYR B 92 ? 0.9405 0.5989 0.5130 0.1587 -0.0835 -0.2161 116 TYR L CE2 2392 C CZ . TYR B 92 ? 0.9867 0.6715 0.5161 0.1875 -0.0731 -0.2163 116 TYR L CZ 2393 O OH . TYR B 92 ? 1.1090 0.7921 0.6140 0.2080 -0.0960 -0.2373 116 TYR L OH 2394 N N . THR B 93 ? 0.6846 0.3963 0.3340 0.0931 -0.0224 -0.1243 117 THR L N 2395 C CA . THR B 93 ? 0.7525 0.4655 0.4034 0.0898 -0.0411 -0.1265 117 THR L CA 2396 C C . THR B 93 ? 0.7516 0.4674 0.4471 0.0657 -0.0360 -0.1077 117 THR L C 2397 O O . THR B 93 ? 0.6939 0.4040 0.4191 0.0518 -0.0245 -0.1000 117 THR L O 2398 C CB . THR B 93 ? 0.8731 0.5604 0.5210 0.0947 -0.0743 -0.1558 117 THR L CB 2399 O OG1 . THR B 93 ? 1.1164 0.8113 0.7551 0.0974 -0.0933 -0.1581 117 THR L OG1 2400 C CG2 . THR B 93 ? 0.7572 0.4225 0.4577 0.0720 -0.0835 -0.1572 117 THR L CG2 2401 N N . SER B 94 ? 0.7435 0.4696 0.4413 0.0636 -0.0449 -0.1007 118 SER L N 2402 C CA . SER B 94 ? 0.6867 0.4169 0.4241 0.0455 -0.0412 -0.0841 118 SER L CA 2403 C C . SER B 94 ? 0.6766 0.3935 0.4495 0.0337 -0.0630 -0.0935 118 SER L C 2404 O O . SER B 94 ? 0.6707 0.3787 0.4348 0.0393 -0.0886 -0.1111 118 SER L O 2405 C CB . SER B 94 ? 0.7915 0.5406 0.5191 0.0498 -0.0394 -0.0685 118 SER L CB 2406 O OG . SER B 94 ? 0.8111 0.5630 0.5757 0.0360 -0.0361 -0.0545 118 SER L OG 2407 N N . PRO B 95 ? 0.6785 0.3959 0.4930 0.0183 -0.0542 -0.0807 119 PRO L N 2408 C CA . PRO B 95 ? 0.6336 0.3589 0.4577 0.0133 -0.0284 -0.0639 119 PRO L CA 2409 C C . PRO B 95 ? 0.6051 0.3227 0.4171 0.0156 -0.0144 -0.0678 119 PRO L C 2410 O O . PRO B 95 ? 0.5798 0.2835 0.3947 0.0160 -0.0236 -0.0804 119 PRO L O 2411 C CB . PRO B 95 ? 0.6251 0.3541 0.4946 0.0013 -0.0288 -0.0534 119 PRO L CB 2412 C CG . PRO B 95 ? 0.6024 0.3204 0.4932 -0.0039 -0.0514 -0.0641 119 PRO L CG 2413 C CD . PRO B 95 ? 0.6288 0.3403 0.4869 0.0062 -0.0723 -0.0819 119 PRO L CD 2414 N N . ARG B 96 ? 0.5852 0.3109 0.3871 0.0170 0.0049 -0.0569 120 ARG L N 2415 C CA . ARG B 96 ? 0.6029 0.3259 0.3951 0.0193 0.0183 -0.0577 120 ARG L CA 2416 C C . ARG B 96 ? 0.5629 0.2818 0.3827 0.0100 0.0255 -0.0531 120 ARG L C 2417 O O . ARG B 96 ? 0.5929 0.3174 0.4196 0.0069 0.0375 -0.0433 120 ARG L O 2418 C CB . ARG B 96 ? 0.5675 0.3027 0.3443 0.0232 0.0322 -0.0455 120 ARG L CB 2419 C CG . ARG B 96 ? 0.7168 0.4634 0.4762 0.0307 0.0278 -0.0393 120 ARG L CG 2420 C CD . ARG B 96 ? 0.5656 0.3219 0.2921 0.0462 0.0300 -0.0422 120 ARG L CD 2421 N NE . ARG B 96 ? 0.6273 0.3987 0.3354 0.0557 0.0262 -0.0331 120 ARG L NE 2422 C CZ . ARG B 96 ? 0.6955 0.4759 0.3687 0.0740 0.0198 -0.0407 120 ARG L CZ 2423 N NH1 . ARG B 96 ? 0.6575 0.4549 0.3145 0.0832 0.0171 -0.0289 120 ARG L NH1 2424 N NH2 . ARG B 96 ? 0.7035 0.4758 0.3561 0.0856 0.0156 -0.0603 120 ARG L NH2 2425 N N . THR B 97 ? 0.5677 0.2765 0.4033 0.0071 0.0166 -0.0601 121 THR L N 2426 C CA . THR B 97 ? 0.5581 0.2682 0.4258 -0.0008 0.0213 -0.0507 121 THR L CA 2427 C C . THR B 97 ? 0.5758 0.2865 0.4398 0.0005 0.0364 -0.0468 121 THR L C 2428 O O . THR B 97 ? 0.5275 0.2320 0.3735 0.0059 0.0382 -0.0543 121 THR L O 2429 C CB . THR B 97 ? 0.5950 0.2946 0.4896 -0.0061 0.0037 -0.0552 121 THR L CB 2430 O OG1 . THR B 97 ? 0.6374 0.3194 0.5121 0.0007 -0.0078 -0.0731 121 THR L OG1 2431 C CG2 . THR B 97 ? 0.6040 0.3088 0.5144 -0.0101 -0.0116 -0.0539 121 THR L CG2 2432 N N . PHE B 98 ? 0.5002 0.2206 0.3807 -0.0021 0.0469 -0.0347 122 PHE L N 2433 C CA . PHE B 98 ? 0.5102 0.2340 0.3875 0.0002 0.0593 -0.0299 122 PHE L CA 2434 C C . PHE B 98 ? 0.5325 0.2548 0.4342 -0.0021 0.0590 -0.0230 122 PHE L C 2435 O O . PHE B 98 ? 0.5172 0.2413 0.4481 -0.0070 0.0523 -0.0154 122 PHE L O 2436 C CB . PHE B 98 ? 0.5060 0.2417 0.3818 0.0033 0.0696 -0.0223 122 PHE L CB 2437 C CG . PHE B 98 ? 0.5036 0.2375 0.3609 0.0049 0.0693 -0.0270 122 PHE L CG 2438 C CD1 . PHE B 98 ? 0.5453 0.2760 0.3861 0.0052 0.0711 -0.0306 122 PHE L CD1 2439 C CD2 . PHE B 98 ? 0.4765 0.2132 0.3382 0.0062 0.0672 -0.0246 122 PHE L CD2 2440 C CE1 . PHE B 98 ? 0.5334 0.2631 0.3662 0.0048 0.0696 -0.0300 122 PHE L CE1 2441 C CE2 . PHE B 98 ? 0.5118 0.2442 0.3619 0.0072 0.0656 -0.0264 122 PHE L CE2 2442 C CZ . PHE B 98 ? 0.5189 0.2474 0.3563 0.0055 0.0663 -0.0281 122 PHE L CZ 2443 N N . GLY B 99 ? 0.4954 0.2161 0.3900 0.0012 0.0659 -0.0224 123 GLY L N 2444 C CA . GLY B 99 ? 0.4980 0.2218 0.4170 0.0004 0.0695 -0.0096 123 GLY L CA 2445 C C . GLY B 99 ? 0.5024 0.2479 0.4306 0.0037 0.0818 0.0072 123 GLY L C 2446 O O . GLY B 99 ? 0.5050 0.2589 0.4158 0.0081 0.0870 0.0045 123 GLY L O 2447 N N . GLY B 100 ? 0.5011 0.2563 0.4578 0.0035 0.0862 0.0257 124 GLY L N 2448 C CA . GLY B 100 ? 0.5443 0.3262 0.5102 0.0109 0.0998 0.0453 124 GLY L CA 2449 C C . GLY B 100 ? 0.5834 0.3776 0.5194 0.0235 0.1119 0.0456 124 GLY L C 2450 O O . GLY B 100 ? 0.5397 0.3570 0.4731 0.0352 0.1232 0.0581 124 GLY L O 2451 N N . GLY B 101 ? 0.4869 0.2682 0.4008 0.0234 0.1090 0.0326 125 GLY L N 2452 C CA . GLY B 101 ? 0.5044 0.2954 0.3910 0.0339 0.1151 0.0299 125 GLY L CA 2453 C C . GLY B 101 ? 0.5495 0.3529 0.4437 0.0399 0.1223 0.0466 125 GLY L C 2454 O O . GLY B 101 ? 0.5505 0.3614 0.4753 0.0383 0.1264 0.0669 125 GLY L O 2455 N N . THR B 102 ? 0.7066 0.3921 0.3504 0.1202 0.1411 0.0092 126 THR L N 2456 C CA . THR B 102 ? 0.6842 0.4008 0.3410 0.1267 0.1530 0.0186 126 THR L CA 2457 C C . THR B 102 ? 0.6326 0.3817 0.3100 0.1197 0.1413 0.0186 126 THR L C 2458 O O . THR B 102 ? 0.6655 0.4226 0.3462 0.1129 0.1352 0.0245 126 THR L O 2459 C CB . THR B 102 ? 0.6570 0.3815 0.3092 0.1358 0.1712 0.0367 126 THR L CB 2460 O OG1 . THR B 102 ? 0.7411 0.4346 0.3737 0.1422 0.1818 0.0370 126 THR L OG1 2461 C CG2 . THR B 102 ? 0.6697 0.4208 0.3320 0.1449 0.1796 0.0448 126 THR L CG2 2462 N N . LYS B 103 ? 0.6011 0.3682 0.2905 0.1193 0.1386 0.0116 127 LYS L N 2463 C CA . LYS B 103 ? 0.5839 0.3836 0.2941 0.1131 0.1281 0.0114 127 LYS L CA 2464 C C . LYS B 103 ? 0.6143 0.4419 0.3323 0.1201 0.1406 0.0289 127 LYS L C 2465 O O . LYS B 103 ? 0.6851 0.5125 0.3972 0.1274 0.1510 0.0323 127 LYS L O 2466 C CB . LYS B 103 ? 0.6400 0.4473 0.3599 0.1071 0.1172 -0.0079 127 LYS L CB 2467 C CG . LYS B 103 ? 0.6013 0.4413 0.3432 0.1000 0.1046 -0.0094 127 LYS L CG 2468 C CD . LYS B 103 ? 0.8132 0.6600 0.5664 0.0923 0.0889 -0.0341 127 LYS L CD 2469 C CE . LYS B 103 ? 0.8661 0.7357 0.6261 0.0893 0.0965 -0.0373 127 LYS L CE 2470 N NZ . LYS B 103 ? 0.7815 0.6691 0.5579 0.0795 0.0812 -0.0625 127 LYS L NZ 2471 N N . LEU B 104 ? 0.5749 0.4249 0.3041 0.1176 0.1385 0.0387 128 LEU L N 2472 C CA . LEU B 104 ? 0.6111 0.4915 0.3507 0.1255 0.1483 0.0529 128 LEU L CA 2473 C C . LEU B 104 ? 0.7041 0.6158 0.4638 0.1204 0.1386 0.0516 128 LEU L C 2474 O O . LEU B 104 ? 0.6234 0.5478 0.3944 0.1099 0.1266 0.0485 128 LEU L O 2475 C CB . LEU B 104 ? 0.6446 0.5355 0.3848 0.1250 0.1544 0.0626 128 LEU L CB 2476 C CG . LEU B 104 ? 0.6705 0.5989 0.4253 0.1339 0.1632 0.0737 128 LEU L CG 2477 C CD1 . LEU B 104 ? 0.7496 0.6729 0.4976 0.1516 0.1734 0.0781 128 LEU L CD1 2478 C CD2 . LEU B 104 ? 0.7059 0.6460 0.4601 0.1300 0.1708 0.0786 128 LEU L CD2 2479 N N . GLU B 105 ? 0.5502 0.4714 0.3113 0.1269 0.1431 0.0540 129 GLU L N 2480 C CA . GLU B 105 ? 0.6435 0.5943 0.4217 0.1229 0.1357 0.0540 129 GLU L CA 2481 C C . GLU B 105 ? 0.5759 0.5521 0.3615 0.1345 0.1428 0.0685 129 GLU L C 2482 O O . GLU B 105 ? 0.6566 0.6232 0.4305 0.1481 0.1536 0.0760 129 GLU L O 2483 C CB . GLU B 105 ? 0.6062 0.5471 0.3767 0.1187 0.1340 0.0440 129 GLU L CB 2484 C CG . GLU B 105 ? 0.9109 0.8304 0.6756 0.1089 0.1274 0.0252 129 GLU L CG 2485 C CD . GLU B 105 ? 1.0922 1.0316 0.8749 0.0961 0.1123 0.0097 129 GLU L CD 2486 O OE1 . GLU B 105 ? 1.2016 1.1558 1.0003 0.0918 0.1004 0.0089 129 GLU L OE1 2487 O OE2 . GLU B 105 ? 1.0587 0.9989 0.8380 0.0892 0.1122 -0.0026 129 GLU L OE2 2488 N N . ILE B 106 ? 0.5692 0.5784 0.3748 0.1303 0.1355 0.0709 130 ILE L N 2489 C CA . ILE B 106 ? 0.5209 0.5601 0.3382 0.1411 0.1397 0.0821 130 ILE L CA 2490 C C . ILE B 106 ? 0.6176 0.6631 0.4337 0.1457 0.1369 0.0843 130 ILE L C 2491 O O . ILE B 106 ? 0.6251 0.6745 0.4461 0.1338 0.1286 0.0775 130 ILE L O 2492 C CB . ILE B 106 ? 0.6406 0.7133 0.4799 0.1322 0.1339 0.0836 130 ILE L CB 2493 C CG1 . ILE B 106 ? 0.6468 0.7056 0.4796 0.1231 0.1349 0.0808 130 ILE L CG1 2494 C CG2 . ILE B 106 ? 0.6850 0.7930 0.5384 0.1441 0.1390 0.0923 130 ILE L CG2 2495 C CD1 . ILE B 106 ? 0.5969 0.6471 0.4183 0.1336 0.1489 0.0856 130 ILE L CD1 2496 N N . LYS B 107 ? 0.5818 0.6276 0.3901 0.1628 0.1427 0.0927 131 LYS L N 2497 C CA . LYS B 107 ? 0.6580 0.7052 0.4596 0.1681 0.1384 0.0965 131 LYS L CA 2498 C C . LYS B 107 ? 0.5317 0.6217 0.3595 0.1693 0.1319 0.1006 131 LYS L C 2499 O O . LYS B 107 ? 0.6243 0.7422 0.4702 0.1757 0.1345 0.1034 131 LYS L O 2500 C CB . LYS B 107 ? 0.7587 0.7820 0.5367 0.1881 0.1438 0.1030 131 LYS L CB 2501 C CG . LYS B 107 ? 0.9109 0.8968 0.6561 0.1863 0.1422 0.1029 131 LYS L CG 2502 C CD . LYS B 107 ? 1.0108 0.9651 0.7284 0.2064 0.1466 0.1087 131 LYS L CD 2503 C CE . LYS B 107 ? 1.1361 1.0463 0.8131 0.2022 0.1446 0.1094 131 LYS L CE 2504 N NZ . LYS B 107 ? 1.2046 1.0796 0.8514 0.2230 0.1464 0.1152 131 LYS L NZ 2505 N N . ARG B 108 ? 0.5262 0.6231 0.3558 0.1616 0.1240 0.0998 132 ARG L N 2506 C CA . ARG B 108 ? 0.5349 0.6714 0.3884 0.1632 0.1175 0.1039 132 ARG L CA 2507 C C . ARG B 108 ? 0.5530 0.6811 0.3925 0.1640 0.1112 0.1066 132 ARG L C 2508 O O . ARG B 108 ? 0.6619 0.7535 0.4717 0.1607 0.1124 0.1049 132 ARG L O 2509 C CB . ARG B 108 ? 0.5723 0.7357 0.4513 0.1453 0.1117 0.0983 132 ARG L CB 2510 C CG . ARG B 108 ? 0.5882 0.7376 0.4626 0.1270 0.1056 0.0880 132 ARG L CG 2511 C CD . ARG B 108 ? 0.5413 0.7237 0.4420 0.1139 0.0952 0.0840 132 ARG L CD 2512 N NE . ARG B 108 ? 0.5269 0.7307 0.4345 0.1170 0.0912 0.0897 132 ARG L NE 2513 C CZ . ARG B 108 ? 0.5918 0.8310 0.5240 0.1114 0.0838 0.0908 132 ARG L CZ 2514 N NH1 . ARG B 108 ? 0.5482 0.8041 0.4988 0.1018 0.0790 0.0867 132 ARG L NH1 2515 N NH2 . ARG B 108 ? 0.5453 0.8004 0.4810 0.1150 0.0801 0.0960 132 ARG L NH2 2516 N N . ALA B 109 ? 0.5707 0.7318 0.4293 0.1669 0.1045 0.1105 133 ALA L N 2517 C CA . ALA B 109 ? 0.6264 0.7799 0.4708 0.1663 0.0971 0.1136 133 ALA L CA 2518 C C . ALA B 109 ? 0.5704 0.7143 0.4085 0.1420 0.0944 0.1052 133 ALA L C 2519 O O . ALA B 109 ? 0.5921 0.7510 0.4496 0.1274 0.0939 0.0967 133 ALA L O 2520 C CB . ALA B 109 ? 0.6236 0.8181 0.4934 0.1740 0.0900 0.1184 133 ALA L CB 2521 N N . ASP B 110 ? 0.5756 0.6927 0.3838 0.1372 0.0917 0.1061 134 ASP L N 2522 C CA . ASP B 110 ? 0.6069 0.7189 0.4079 0.1124 0.0900 0.0955 134 ASP L CA 2523 C C . ASP B 110 ? 0.5945 0.7509 0.4315 0.1009 0.0827 0.0910 134 ASP L C 2524 O O . ASP B 110 ? 0.5976 0.7819 0.4538 0.1108 0.0776 0.0994 134 ASP L O 2525 C CB . ASP B 110 ? 0.6581 0.7355 0.4175 0.1070 0.0880 0.0985 134 ASP L CB 2526 C CG . ASP B 110 ? 0.7980 0.8249 0.5155 0.1127 0.0945 0.1004 134 ASP L CG 2527 O OD1 . ASP B 110 ? 0.7909 0.8110 0.5134 0.1166 0.1019 0.0964 134 ASP L OD1 2528 O OD2 . ASP B 110 ? 0.8884 0.8793 0.5649 0.1124 0.0914 0.1059 134 ASP L OD2 2529 N N . ALA B 111 ? 0.6120 0.7757 0.4581 0.0802 0.0814 0.0761 135 ALA L N 2530 C CA . ALA B 111 ? 0.5719 0.7751 0.4503 0.0680 0.0730 0.0693 135 ALA L CA 2531 C C . ALA B 111 ? 0.4488 0.6495 0.3206 0.0443 0.0713 0.0510 135 ALA L C 2532 O O . ALA B 111 ? 0.4921 0.6766 0.3563 0.0366 0.0749 0.0374 135 ALA L O 2533 C CB . ALA B 111 ? 0.5328 0.7588 0.4426 0.0713 0.0701 0.0666 135 ALA L CB 2534 N N . ALA B 112 ? 0.4758 0.6944 0.3509 0.0323 0.0660 0.0490 136 ALA L N 2535 C CA . ALA B 112 ? 0.4667 0.6908 0.3387 0.0075 0.0648 0.0285 136 ALA L CA 2536 C C . ALA B 112 ? 0.4071 0.6635 0.3174 0.0003 0.0565 0.0107 136 ALA L C 2537 O O . ALA B 112 ? 0.4248 0.7055 0.3639 0.0098 0.0494 0.0174 136 ALA L O 2538 C CB . ALA B 112 ? 0.4968 0.7307 0.3598 -0.0045 0.0614 0.0314 136 ALA L CB 2539 N N . PRO B 113 ? 0.4002 0.6564 0.3098 -0.0164 0.0563 -0.0136 137 PRO L N 2540 C CA . PRO B 113 ? 0.3950 0.6789 0.3392 -0.0212 0.0447 -0.0336 137 PRO L CA 2541 C C . PRO B 113 ? 0.3997 0.7233 0.3712 -0.0301 0.0343 -0.0383 137 PRO L C 2542 O O . PRO B 113 ? 0.3769 0.7084 0.3386 -0.0412 0.0372 -0.0358 137 PRO L O 2543 C CB . PRO B 113 ? 0.4279 0.7029 0.3615 -0.0369 0.0476 -0.0614 137 PRO L CB 2544 C CG . PRO B 113 ? 0.4864 0.7442 0.3847 -0.0506 0.0594 -0.0584 137 PRO L CG 2545 C CD . PRO B 113 ? 0.5601 0.7916 0.4362 -0.0324 0.0656 -0.0263 137 PRO L CD 2546 N N . THR B 114 ? 0.5038 0.5141 0.3664 -0.1019 0.0841 -0.0029 138 THR L N 2547 C CA . THR B 114 ? 0.5047 0.5398 0.3894 -0.1132 0.0744 -0.0178 138 THR L CA 2548 C C . THR B 114 ? 0.5198 0.5304 0.4004 -0.1248 0.0736 -0.0266 138 THR L C 2549 O O . THR B 114 ? 0.4662 0.4581 0.3540 -0.1316 0.0774 -0.0256 138 THR L O 2550 C CB . THR B 114 ? 0.5400 0.6002 0.4665 -0.1221 0.0723 -0.0219 138 THR L CB 2551 O OG1 . THR B 114 ? 0.5017 0.5903 0.4360 -0.1107 0.0730 -0.0131 138 THR L OG1 2552 C CG2 . THR B 114 ? 0.5090 0.5916 0.4635 -0.1351 0.0608 -0.0442 138 THR L CG2 2553 N N . VAL B 115 ? 0.4693 0.4833 0.3372 -0.1232 0.0700 -0.0333 139 VAL L N 2554 C CA . VAL B 115 ? 0.4456 0.4364 0.3057 -0.1303 0.0719 -0.0378 139 VAL L CA 2555 C C . VAL B 115 ? 0.5167 0.5231 0.3924 -0.1391 0.0636 -0.0548 139 VAL L C 2556 O O . VAL B 115 ? 0.4802 0.5164 0.3579 -0.1332 0.0553 -0.0651 139 VAL L O 2557 C CB . VAL B 115 ? 0.5218 0.5003 0.3581 -0.1195 0.0798 -0.0283 139 VAL L CB 2558 C CG1 . VAL B 115 ? 0.4693 0.4264 0.3059 -0.1280 0.0834 -0.0318 139 VAL L CG1 2559 C CG2 . VAL B 115 ? 0.5244 0.4854 0.3501 -0.1103 0.0887 -0.0147 139 VAL L CG2 2560 N N . SER B 116 ? 0.4631 0.4510 0.3489 -0.1505 0.0651 -0.0597 140 SER L N 2561 C CA . SER B 116 ? 0.4969 0.4917 0.3979 -0.1585 0.0596 -0.0765 140 SER L CA 2562 C C . SER B 116 ? 0.5273 0.4998 0.4178 -0.1615 0.0644 -0.0753 140 SER L C 2563 O O . SER B 116 ? 0.5098 0.4629 0.3979 -0.1633 0.0700 -0.0661 140 SER L O 2564 C CB . SER B 116 ? 0.5525 0.5501 0.4904 -0.1696 0.0599 -0.0829 140 SER L CB 2565 O OG . SER B 116 ? 0.5566 0.5763 0.5124 -0.1681 0.0576 -0.0813 140 SER L OG 2566 N N . ILE B 117 ? 0.4486 0.4280 0.3328 -0.1594 0.0613 -0.0860 141 ILE L N 2567 C CA . ILE B 117 ? 0.4279 0.3910 0.3052 -0.1610 0.0667 -0.0842 141 ILE L CA 2568 C C . ILE B 117 ? 0.4056 0.3676 0.2985 -0.1673 0.0638 -0.1000 141 ILE L C 2569 O O . ILE B 117 ? 0.4344 0.4121 0.3383 -0.1677 0.0559 -0.1176 141 ILE L O 2570 C CB . ILE B 117 ? 0.4270 0.3951 0.2820 -0.1489 0.0718 -0.0771 141 ILE L CB 2571 C CG1 . ILE B 117 ? 0.4380 0.3905 0.2942 -0.1520 0.0799 -0.0716 141 ILE L CG1 2572 C CG2 . ILE B 117 ? 0.4275 0.4216 0.2712 -0.1368 0.0648 -0.0904 141 ILE L CG2 2573 C CD1 . ILE B 117 ? 0.4676 0.4209 0.3116 -0.1408 0.0919 -0.0575 141 ILE L CD1 2574 N N . PHE B 118 ? 0.4116 0.3561 0.3077 -0.1710 0.0699 -0.0958 142 PHE L N 2575 C CA . PHE B 118 ? 0.4472 0.3844 0.3584 -0.1751 0.0713 -0.1072 142 PHE L CA 2576 C C . PHE B 118 ? 0.4539 0.3842 0.3535 -0.1707 0.0763 -0.1043 142 PHE L C 2577 O O . PHE B 118 ? 0.4648 0.3889 0.3612 -0.1703 0.0807 -0.0917 142 PHE L O 2578 C CB . PHE B 118 ? 0.4343 0.3583 0.3686 -0.1800 0.0779 -0.1003 142 PHE L CB 2579 C CG . PHE B 118 ? 0.4305 0.3629 0.3843 -0.1830 0.0761 -0.1000 142 PHE L CG 2580 C CD1 . PHE B 118 ? 0.4338 0.3694 0.3776 -0.1815 0.0768 -0.0869 142 PHE L CD1 2581 C CD2 . PHE B 118 ? 0.4080 0.3467 0.3942 -0.1861 0.0738 -0.1134 142 PHE L CD2 2582 C CE1 . PHE B 118 ? 0.4467 0.3929 0.4098 -0.1839 0.0768 -0.0853 142 PHE L CE1 2583 C CE2 . PHE B 118 ? 0.4621 0.4126 0.4743 -0.1904 0.0727 -0.1136 142 PHE L CE2 2584 C CZ . PHE B 118 ? 0.4689 0.4236 0.4688 -0.1911 0.0755 -0.0989 142 PHE L CZ 2585 N N . PRO B 119 ? 0.4509 0.3854 0.3459 -0.1661 0.0750 -0.1177 143 PRO L N 2586 C CA . PRO B 119 ? 0.4524 0.3817 0.3396 -0.1607 0.0818 -0.1136 143 PRO L CA 2587 C C . PRO B 119 ? 0.4747 0.3878 0.3778 -0.1644 0.0882 -0.1097 143 PRO L C 2588 O O . PRO B 119 ? 0.4831 0.3865 0.4043 -0.1699 0.0896 -0.1116 143 PRO L O 2589 C CB . PRO B 119 ? 0.4525 0.3907 0.3290 -0.1514 0.0781 -0.1324 143 PRO L CB 2590 C CG . PRO B 119 ? 0.4719 0.4283 0.3440 -0.1489 0.0673 -0.1441 143 PRO L CG 2591 C CD . PRO B 119 ? 0.4214 0.3706 0.3167 -0.1627 0.0656 -0.1397 143 PRO L CD 2592 N N . PRO B 120 ? 0.4586 0.3708 0.3579 -0.1592 0.0942 -0.1021 144 PRO L N 2593 C CA . PRO B 120 ? 0.4804 0.3816 0.3909 -0.1567 0.1013 -0.0969 144 PRO L CA 2594 C C . PRO B 120 ? 0.5173 0.4018 0.4411 -0.1571 0.1062 -0.1092 144 PRO L C 2595 O O . PRO B 120 ? 0.5092 0.3937 0.4301 -0.1565 0.1026 -0.1269 144 PRO L O 2596 C CB . PRO B 120 ? 0.5475 0.4582 0.4524 -0.1494 0.1054 -0.0910 144 PRO L CB 2597 C CG . PRO B 120 ? 0.5002 0.4248 0.3981 -0.1514 0.1025 -0.0869 144 PRO L CG 2598 C CD . PRO B 120 ? 0.4707 0.3948 0.3588 -0.1534 0.0972 -0.0952 144 PRO L CD 2599 N N . SER B 121 ? 0.5067 0.3770 0.4467 -0.1558 0.1155 -0.1003 145 SER L N 2600 C CA . SER B 121 ? 0.5075 0.3557 0.4700 -0.1565 0.1257 -0.1095 145 SER L CA 2601 C C . SER B 121 ? 0.4886 0.3293 0.4437 -0.1460 0.1328 -0.1125 145 SER L C 2602 O O . SER B 121 ? 0.5126 0.3652 0.4518 -0.1361 0.1344 -0.0993 145 SER L O 2603 C CB . SER B 121 ? 0.5361 0.3699 0.5200 -0.1536 0.1405 -0.0916 145 SER L CB 2604 O OG . SER B 121 ? 0.6210 0.4564 0.5926 -0.1370 0.1499 -0.0719 145 SER L OG 2605 N N . SER B 122 ? 0.5013 0.3238 0.4713 -0.1477 0.1365 -0.1328 146 SER L N 2606 C CA . SER B 122 ? 0.5567 0.3694 0.5182 -0.1353 0.1448 -0.1363 146 SER L CA 2607 C C . SER B 122 ? 0.5574 0.3575 0.5255 -0.1230 0.1633 -0.1116 146 SER L C 2608 O O . SER B 122 ? 0.5919 0.3966 0.5453 -0.1088 0.1689 -0.1041 146 SER L O 2609 C CB . SER B 122 ? 0.6441 0.4371 0.6224 -0.1384 0.1445 -0.1678 146 SER L CB 2610 O OG . SER B 122 ? 0.7257 0.4939 0.7468 -0.1495 0.1541 -0.1735 146 SER L OG 2611 N N . GLU B 123 ? 0.5185 0.3065 0.5078 -0.1244 0.1742 -0.0965 147 GLU L N 2612 C CA A GLU B 123 ? 0.5856 0.3671 0.5755 -0.1054 0.1931 -0.0691 147 GLU L CA 2613 C CA B GLU B 123 ? 0.5847 0.3664 0.5748 -0.1055 0.1931 -0.0689 147 GLU L CA 2614 C C . GLU B 123 ? 0.5361 0.3528 0.4967 -0.0934 0.1831 -0.0543 147 GLU L C 2615 O O . GLU B 123 ? 0.5903 0.4141 0.5417 -0.0750 0.1910 -0.0427 147 GLU L O 2616 C CB A GLU B 123 ? 0.6282 0.3942 0.6442 -0.1052 0.2088 -0.0522 147 GLU L CB 2617 C CB B GLU B 123 ? 0.6259 0.3935 0.6409 -0.1055 0.2079 -0.0518 147 GLU L CB 2618 C CG A GLU B 123 ? 0.6953 0.4337 0.7534 -0.1246 0.2144 -0.0724 147 GLU L CG 2619 C CG B GLU B 123 ? 0.7044 0.4362 0.7655 -0.1188 0.2225 -0.0653 147 GLU L CG 2620 C CD A GLU B 123 ? 0.7445 0.4604 0.8414 -0.1217 0.2404 -0.0506 147 GLU L CD 2621 C CD B GLU B 123 ? 0.7235 0.4628 0.7995 -0.1437 0.2022 -0.0955 147 GLU L CD 2622 O OE1 A GLU B 123 ? 0.8202 0.5264 0.9599 -0.1324 0.2414 -0.0662 147 GLU L OE1 2623 O OE1 B GLU B 123 ? 0.6303 0.3985 0.6757 -0.1487 0.1789 -0.1051 147 GLU L OE1 2624 O OE2 A GLU B 123 ? 0.7401 0.4637 0.8225 -0.1005 0.2540 -0.0175 147 GLU L OE2 2625 O OE2 B GLU B 123 ? 0.8234 0.5545 0.9414 -0.1499 0.2050 -0.1061 147 GLU L OE2 2626 N N . GLN B 124 ? 0.5160 0.3562 0.4657 -0.1035 0.1654 -0.0570 148 GLN L N 2627 C CA . GLN B 124 ? 0.4931 0.3666 0.4255 -0.0957 0.1544 -0.0495 148 GLN L CA 2628 C C . GLN B 124 ? 0.5512 0.4377 0.4763 -0.0953 0.1499 -0.0576 148 GLN L C 2629 O O . GLN B 124 ? 0.5087 0.4180 0.4306 -0.0825 0.1498 -0.0494 148 GLN L O 2630 C CB . GLN B 124 ? 0.5120 0.4012 0.4395 -0.1075 0.1389 -0.0526 148 GLN L CB 2631 C CG . GLN B 124 ? 0.4937 0.4158 0.4135 -0.1022 0.1267 -0.0506 148 GLN L CG 2632 C CD . GLN B 124 ? 0.4660 0.3982 0.3836 -0.1144 0.1128 -0.0565 148 GLN L CD 2633 O OE1 . GLN B 124 ? 0.4535 0.3730 0.3714 -0.1283 0.1105 -0.0626 148 GLN L OE1 2634 N NE2 . GLN B 124 ? 0.4628 0.4201 0.3795 -0.1073 0.1028 -0.0568 148 GLN L NE2 2635 N N . LEU B 125 ? 0.4797 0.3567 0.4027 -0.1061 0.1464 -0.0735 149 LEU L N 2636 C CA . LEU B 125 ? 0.5317 0.4224 0.4457 -0.1016 0.1456 -0.0775 149 LEU L CA 2637 C C . LEU B 125 ? 0.6029 0.4878 0.5172 -0.0839 0.1592 -0.0712 149 LEU L C 2638 O O . LEU B 125 ? 0.6064 0.5142 0.5182 -0.0749 0.1604 -0.0646 149 LEU L O 2639 C CB . LEU B 125 ? 0.5358 0.4187 0.4409 -0.1085 0.1408 -0.0957 149 LEU L CB 2640 C CG . LEU B 125 ? 0.5479 0.4435 0.4487 -0.1209 0.1287 -0.0982 149 LEU L CG 2641 C CD1 . LEU B 125 ? 0.6082 0.4996 0.4982 -0.1222 0.1232 -0.1176 149 LEU L CD1 2642 C CD2 . LEU B 125 ? 0.5000 0.4215 0.4001 -0.1202 0.1272 -0.0858 149 LEU L CD2 2643 N N . THR B 126 ? 0.6172 0.4717 0.5395 -0.0783 0.1720 -0.0716 150 THR L N 2644 C CA . THR B 126 ? 0.6625 0.5072 0.5853 -0.0583 0.1887 -0.0623 150 THR L CA 2645 C C . THR B 126 ? 0.7061 0.5837 0.6259 -0.0417 0.1893 -0.0412 150 THR L C 2646 O O . THR B 126 ? 0.7032 0.5940 0.6194 -0.0250 0.1963 -0.0342 150 THR L O 2647 C CB . THR B 126 ? 0.7444 0.5474 0.6846 -0.0555 0.2063 -0.0622 150 THR L CB 2648 O OG1 . THR B 126 ? 0.7860 0.5641 0.7351 -0.0705 0.2025 -0.0897 150 THR L OG1 2649 C CG2 . THR B 126 ? 0.8209 0.6100 0.7618 -0.0313 0.2277 -0.0484 150 THR L CG2 2650 N N . SER B 127 ? 0.6818 0.5769 0.6031 -0.0440 0.1807 -0.0331 151 SER L N 2651 C CA . SER B 127 ? 0.6950 0.6272 0.6136 -0.0251 0.1774 -0.0190 151 SER L CA 2652 C C . SER B 127 ? 0.6863 0.6608 0.6101 -0.0339 0.1586 -0.0271 151 SER L C 2653 O O . SER B 127 ? 0.6636 0.6769 0.5916 -0.0207 0.1505 -0.0228 151 SER L O 2654 C CB . SER B 127 ? 0.6568 0.5899 0.5724 -0.0168 0.1781 -0.0077 151 SER L CB 2655 O OG . SER B 127 ? 0.7105 0.6464 0.6271 -0.0378 0.1624 -0.0184 151 SER L OG 2656 N N . GLY B 128 ? 0.5782 0.5485 0.5053 -0.0539 0.1525 -0.0390 152 GLY L N 2657 C CA . GLY B 128 ? 0.5556 0.5607 0.4969 -0.0622 0.1420 -0.0431 152 GLY L CA 2658 C C . GLY B 128 ? 0.5175 0.5329 0.4678 -0.0803 0.1270 -0.0506 152 GLY L C 2659 O O . GLY B 128 ? 0.5566 0.5969 0.5275 -0.0896 0.1212 -0.0541 152 GLY L O 2660 N N . GLY B 129 ? 0.5300 0.5263 0.4696 -0.0852 0.1231 -0.0524 153 GLY L N 2661 C CA . GLY B 129 ? 0.5540 0.5553 0.4987 -0.1003 0.1104 -0.0595 153 GLY L CA 2662 C C . GLY B 129 ? 0.5184 0.4909 0.4533 -0.1151 0.1127 -0.0633 153 GLY L C 2663 O O . GLY B 129 ? 0.5215 0.4707 0.4466 -0.1136 0.1212 -0.0641 153 GLY L O 2664 N N . ALA B 130 ? 0.4459 0.4222 0.3860 -0.1282 0.1042 -0.0678 154 ALA L N 2665 C CA . ALA B 130 ? 0.4335 0.3904 0.3635 -0.1388 0.1052 -0.0706 154 ALA L CA 2666 C C . ALA B 130 ? 0.4555 0.4130 0.3876 -0.1474 0.0962 -0.0728 154 ALA L C 2667 O O . ALA B 130 ? 0.5064 0.4750 0.4527 -0.1543 0.0931 -0.0742 154 ALA L O 2668 C CB . ALA B 130 ? 0.4380 0.3992 0.3692 -0.1407 0.1118 -0.0693 154 ALA L CB 2669 N N . SER B 131 ? 0.4277 0.3718 0.3496 -0.1467 0.0943 -0.0725 155 SER L N 2670 C CA . SER B 131 ? 0.4706 0.4132 0.3902 -0.1519 0.0872 -0.0739 155 SER L CA 2671 C C . SER B 131 ? 0.4661 0.3955 0.3780 -0.1597 0.0886 -0.0748 155 SER L C 2672 O O . SER B 131 ? 0.4722 0.3913 0.3814 -0.1593 0.0923 -0.0766 155 SER L O 2673 C CB . SER B 131 ? 0.4308 0.3740 0.3443 -0.1408 0.0854 -0.0699 155 SER L CB 2674 O OG . SER B 131 ? 0.4309 0.3947 0.3479 -0.1286 0.0809 -0.0714 155 SER L OG 2675 N N . VAL B 132 ? 0.4123 0.3434 0.3243 -0.1656 0.0861 -0.0747 156 VAL L N 2676 C CA . VAL B 132 ? 0.4340 0.3591 0.3363 -0.1686 0.0861 -0.0744 156 VAL L CA 2677 C C . VAL B 132 ? 0.4480 0.3694 0.3481 -0.1691 0.0812 -0.0727 156 VAL L C 2678 O O . VAL B 132 ? 0.4271 0.3503 0.3319 -0.1690 0.0779 -0.0736 156 VAL L O 2679 C CB . VAL B 132 ? 0.4644 0.3933 0.3653 -0.1687 0.0915 -0.0699 156 VAL L CB 2680 C CG1 . VAL B 132 ? 0.4370 0.3673 0.3223 -0.1648 0.0911 -0.0703 156 VAL L CG1 2681 C CG2 . VAL B 132 ? 0.5003 0.4361 0.4060 -0.1650 0.0988 -0.0680 156 VAL L CG2 2682 N N . VAL B 133 ? 0.4046 0.3227 0.3008 -0.1692 0.0806 -0.0725 157 VAL L N 2683 C CA . VAL B 133 ? 0.4099 0.3258 0.3040 -0.1666 0.0787 -0.0682 157 VAL L CA 2684 C C . VAL B 133 ? 0.4723 0.3905 0.3612 -0.1684 0.0773 -0.0670 157 VAL L C 2685 O O . VAL B 133 ? 0.4674 0.3921 0.3574 -0.1703 0.0766 -0.0716 157 VAL L O 2686 C CB . VAL B 133 ? 0.4515 0.3642 0.3535 -0.1624 0.0836 -0.0639 157 VAL L CB 2687 C CG1 . VAL B 133 ? 0.4300 0.3430 0.3289 -0.1561 0.0847 -0.0557 157 VAL L CG1 2688 C CG2 . VAL B 133 ? 0.4621 0.3750 0.3648 -0.1543 0.0867 -0.0615 157 VAL L CG2 2689 N N . CYS B 134 ? 0.4042 0.3194 0.2867 -0.1653 0.0762 -0.0628 158 CYS L N 2690 C CA A CYS B 134 ? 0.4228 0.3406 0.2986 -0.1630 0.0764 -0.0585 158 CYS L CA 2691 C CA B CYS B 134 ? 0.4189 0.3371 0.2950 -0.1631 0.0763 -0.0585 158 CYS L CA 2692 C C . CYS B 134 ? 0.5006 0.4171 0.3745 -0.1571 0.0762 -0.0533 158 CYS L C 2693 O O . CYS B 134 ? 0.4977 0.4074 0.3659 -0.1515 0.0748 -0.0542 158 CYS L O 2694 C CB A CYS B 134 ? 0.4590 0.3700 0.3295 -0.1616 0.0801 -0.0553 158 CYS L CB 2695 C CB B CYS B 134 ? 0.4602 0.3733 0.3298 -0.1612 0.0801 -0.0548 158 CYS L CB 2696 S SG A CYS B 134 ? 0.4384 0.3537 0.2968 -0.1531 0.0844 -0.0458 158 CYS L SG 2697 S SG B CYS B 134 ? 0.6056 0.5310 0.4690 -0.1579 0.0841 -0.0532 158 CYS L SG 2698 N N . PHE B 135 ? 0.3984 0.3244 0.2789 -0.1565 0.0773 -0.0496 159 PHE L N 2699 C CA . PHE B 135 ? 0.4425 0.3697 0.3220 -0.1482 0.0804 -0.0406 159 PHE L CA 2700 C C . PHE B 135 ? 0.5490 0.4810 0.4189 -0.1435 0.0797 -0.0366 159 PHE L C 2701 O O . PHE B 135 ? 0.5152 0.4598 0.3875 -0.1461 0.0774 -0.0391 159 PHE L O 2702 C CB . PHE B 135 ? 0.3941 0.3303 0.2978 -0.1502 0.0862 -0.0357 159 PHE L CB 2703 C CG . PHE B 135 ? 0.4833 0.4116 0.3973 -0.1502 0.0923 -0.0342 159 PHE L CG 2704 C CD1 . PHE B 135 ? 0.4817 0.4038 0.3808 -0.1359 0.0964 -0.0261 159 PHE L CD1 2705 C CD2 . PHE B 135 ? 0.4418 0.3708 0.3805 -0.1610 0.0945 -0.0414 159 PHE L CD2 2706 C CE1 . PHE B 135 ? 0.4789 0.3967 0.3851 -0.1307 0.1042 -0.0212 159 PHE L CE1 2707 C CE2 . PHE B 135 ? 0.4981 0.4166 0.4473 -0.1586 0.1036 -0.0372 159 PHE L CE2 2708 C CZ . PHE B 135 ? 0.4968 0.4104 0.4288 -0.1424 0.1096 -0.0246 159 PHE L CZ 2709 N N . LEU B 136 ? 0.4418 0.3653 0.2982 -0.1330 0.0818 -0.0312 160 LEU L N 2710 C CA . LEU B 136 ? 0.4611 0.3856 0.3070 -0.1251 0.0840 -0.0249 160 LEU L CA 2711 C C . LEU B 136 ? 0.5052 0.4360 0.3501 -0.1135 0.0883 -0.0151 160 LEU L C 2712 O O . LEU B 136 ? 0.5104 0.4295 0.3413 -0.1025 0.0894 -0.0151 160 LEU L O 2713 C CB . LEU B 136 ? 0.4718 0.3746 0.3045 -0.1222 0.0853 -0.0289 160 LEU L CB 2714 C CG . LEU B 136 ? 0.5869 0.4833 0.4261 -0.1322 0.0856 -0.0346 160 LEU L CG 2715 C CD1 . LEU B 136 ? 0.6392 0.5295 0.4862 -0.1392 0.0806 -0.0460 160 LEU L CD1 2716 C CD2 . LEU B 136 ? 0.6419 0.5207 0.4774 -0.1279 0.0939 -0.0308 160 LEU L CD2 2717 N N . ASN B 137 ? 0.4392 0.3919 0.3010 -0.1141 0.0905 -0.0079 161 ASN L N 2718 C CA . ASN B 137 ? 0.4439 0.4068 0.3179 -0.1057 0.0985 0.0045 161 ASN L CA 2719 C C . ASN B 137 ? 0.5309 0.5072 0.4014 -0.0935 0.1023 0.0154 161 ASN L C 2720 O O . ASN B 137 ? 0.4839 0.4757 0.3575 -0.0954 0.0980 0.0134 161 ASN L O 2721 C CB . ASN B 137 ? 0.4425 0.4211 0.3556 -0.1182 0.1017 0.0045 161 ASN L CB 2722 C CG . ASN B 137 ? 0.5441 0.5071 0.4593 -0.1228 0.1039 0.0009 161 ASN L CG 2723 O OD1 . ASN B 137 ? 0.5265 0.4734 0.4145 -0.1134 0.1027 0.0001 161 ASN L OD1 2724 N ND2 . ASN B 137 ? 0.4766 0.4458 0.4264 -0.1360 0.1066 -0.0033 161 ASN L ND2 2725 N N . ASN B 138 ? 0.4662 0.4391 0.3273 -0.0768 0.1113 0.0280 162 ASN L N 2726 C CA . ASN B 138 ? 0.4908 0.4795 0.3531 -0.0621 0.1190 0.0428 162 ASN L CA 2727 C C . ASN B 138 ? 0.4990 0.4801 0.3352 -0.0535 0.1154 0.0405 162 ASN L C 2728 O O . ASN B 138 ? 0.5968 0.6009 0.4432 -0.0516 0.1153 0.0461 162 ASN L O 2729 C CB . ASN B 138 ? 0.5001 0.5234 0.4098 -0.0722 0.1225 0.0494 162 ASN L CB 2730 C CG . ASN B 138 ? 0.5624 0.5881 0.5062 -0.0793 0.1327 0.0558 162 ASN L CG 2731 O OD1 . ASN B 138 ? 0.6018 0.6266 0.5684 -0.0978 0.1277 0.0434 162 ASN L OD1 2732 N ND2 . ASN B 138 ? 0.5548 0.5824 0.5017 -0.0615 0.1498 0.0771 162 ASN L ND2 2733 N N . PHE B 139 ? 0.5298 0.4795 0.3352 -0.0466 0.1134 0.0319 163 PHE L N 2734 C CA . PHE B 139 ? 0.5348 0.4677 0.3197 -0.0382 0.1148 0.0306 163 PHE L CA 2735 C C . PHE B 139 ? 0.6018 0.5151 0.3606 -0.0160 0.1203 0.0318 163 PHE L C 2736 O O . PHE B 139 ? 0.6098 0.5203 0.3592 -0.0059 0.1202 0.0293 163 PHE L O 2737 C CB . PHE B 139 ? 0.5230 0.4325 0.3048 -0.0515 0.1100 0.0166 163 PHE L CB 2738 C CG . PHE B 139 ? 0.5443 0.4322 0.3218 -0.0568 0.1040 0.0000 163 PHE L CG 2739 C CD1 . PHE B 139 ? 0.5792 0.4399 0.3405 -0.0462 0.1037 -0.0121 163 PHE L CD1 2740 C CD2 . PHE B 139 ? 0.4884 0.3852 0.2799 -0.0709 0.0979 -0.0062 163 PHE L CD2 2741 C CE1 . PHE B 139 ? 0.5871 0.4366 0.3475 -0.0493 0.0945 -0.0323 163 PHE L CE1 2742 C CE2 . PHE B 139 ? 0.5140 0.3979 0.3015 -0.0726 0.0914 -0.0213 163 PHE L CE2 2743 C CZ . PHE B 139 ? 0.5654 0.4289 0.3380 -0.0617 0.0883 -0.0355 163 PHE L CZ 2744 N N . TYR B 140 ? 0.5873 0.4883 0.3324 -0.0043 0.1263 0.0362 164 TYR L N 2745 C CA . TYR B 140 ? 0.5972 0.4734 0.3164 0.0177 0.1317 0.0331 164 TYR L CA 2746 C C . TYR B 140 ? 0.6616 0.5117 0.3736 0.0224 0.1395 0.0337 164 TYR L C 2747 O O . TYR B 140 ? 0.6520 0.5199 0.3705 0.0234 0.1454 0.0499 164 TYR L O 2748 C CB . TYR B 140 ? 0.6215 0.5214 0.3338 0.0396 0.1398 0.0515 164 TYR L CB 2749 C CG . TYR B 140 ? 0.7015 0.5756 0.3816 0.0660 0.1439 0.0445 164 TYR L CG 2750 C CD1 . TYR B 140 ? 0.7284 0.5816 0.3936 0.0806 0.1524 0.0472 164 TYR L CD1 2751 C CD2 . TYR B 140 ? 0.6898 0.5600 0.3522 0.0795 0.1394 0.0333 164 TYR L CD2 2752 C CE1 . TYR B 140 ? 0.7957 0.6217 0.4322 0.1051 0.1553 0.0357 164 TYR L CE1 2753 C CE2 . TYR B 140 ? 0.7176 0.5664 0.3474 0.1067 0.1401 0.0208 164 TYR L CE2 2754 C CZ . TYR B 140 ? 0.7845 0.6096 0.4030 0.1178 0.1476 0.0203 164 TYR L CZ 2755 O OH . TYR B 140 ? 0.8465 0.6475 0.4337 0.1454 0.1479 0.0038 164 TYR L OH 2756 N N . PRO B 141 ? 0.7501 0.5592 0.4507 0.0279 0.1407 0.0157 165 PRO L N 2757 C CA . PRO B 141 ? 0.7563 0.5475 0.4458 0.0332 0.1310 -0.0096 165 PRO L CA 2758 C C . PRO B 141 ? 0.7953 0.5874 0.5014 0.0114 0.1176 -0.0289 165 PRO L C 2759 O O . PRO B 141 ? 0.6701 0.4734 0.3958 -0.0086 0.1174 -0.0213 165 PRO L O 2760 C CB . PRO B 141 ? 0.7658 0.5129 0.4484 0.0436 0.1378 -0.0247 165 PRO L CB 2761 C CG . PRO B 141 ? 0.8086 0.5426 0.5091 0.0327 0.1512 -0.0098 165 PRO L CG 2762 C CD . PRO B 141 ? 0.7364 0.5140 0.4374 0.0323 0.1539 0.0193 165 PRO L CD 2763 N N . LYS B 142 ? 0.7392 0.5231 0.4356 0.0185 0.1059 -0.0547 166 LYS L N 2764 C CA . LYS B 142 ? 0.5917 0.3872 0.3006 0.0038 0.0924 -0.0704 166 LYS L CA 2765 C C . LYS B 142 ? 0.6463 0.4201 0.3854 -0.0208 0.0892 -0.0887 166 LYS L C 2766 O O . LYS B 142 ? 0.6736 0.4606 0.4286 -0.0370 0.0812 -0.0944 166 LYS L O 2767 C CB . LYS B 142 ? 0.6526 0.4558 0.3378 0.0265 0.0798 -0.0921 166 LYS L CB 2768 C CG . LYS B 142 ? 0.7857 0.5607 0.4693 0.0336 0.0702 -0.1296 166 LYS L CG 2769 C CD . LYS B 142 ? 0.8598 0.6487 0.5070 0.0685 0.0585 -0.1488 166 LYS L CD 2770 C CE . LYS B 142 ? 0.9517 0.7128 0.6008 0.0759 0.0464 -0.1937 166 LYS L CE 2771 N NZ . LYS B 142 ? 1.0087 0.7846 0.6149 0.1169 0.0344 -0.2152 166 LYS L NZ 2772 N N . ASP B 143 ? 0.6582 0.3984 0.4088 -0.0229 0.0981 -0.0957 167 ASP L N 2773 C CA A ASP B 143 ? 0.6352 0.3530 0.4229 -0.0451 0.0991 -0.1123 167 ASP L CA 2774 C CA B ASP B 143 ? 0.6373 0.3540 0.4250 -0.0449 0.0998 -0.1118 167 ASP L CA 2775 C C . ASP B 143 ? 0.6641 0.3910 0.4674 -0.0617 0.1110 -0.0850 167 ASP L C 2776 O O . ASP B 143 ? 0.6962 0.4237 0.4900 -0.0546 0.1258 -0.0579 167 ASP L O 2777 C CB A ASP B 143 ? 0.6695 0.3437 0.4725 -0.0414 0.1090 -0.1285 167 ASP L CB 2778 C CB B ASP B 143 ? 0.6751 0.3484 0.4754 -0.0398 0.1121 -0.1232 167 ASP L CB 2779 C CG A ASP B 143 ? 0.7943 0.4599 0.5931 -0.0300 0.0908 -0.1714 167 ASP L CG 2780 C CG B ASP B 143 ? 0.7761 0.4410 0.5479 -0.0143 0.1041 -0.1433 167 ASP L CG 2781 O OD1 A ASP B 143 ? 0.7005 0.3792 0.5184 -0.0407 0.0725 -0.2009 167 ASP L OD1 2782 O OD1 B ASP B 143 ? 0.7607 0.4254 0.5373 -0.0120 0.0854 -0.1819 167 ASP L OD1 2783 O OD2 A ASP B 143 ? 0.8075 0.4566 0.5828 -0.0076 0.0939 -0.1771 167 ASP L OD2 2784 O OD2 B ASP B 143 ? 0.7135 0.3758 0.4575 0.0060 0.1156 -0.1217 167 ASP L OD2 2785 N N . ILE B 144 ? 0.5831 0.3115 0.3689 0.0031 -0.0271 -0.0974 168 ILE L N 2786 C CA . ILE B 144 ? 0.5676 0.3087 0.3491 -0.0058 -0.0256 -0.0764 168 ILE L CA 2787 C C . ILE B 144 ? 0.7020 0.4401 0.4980 -0.0308 -0.0219 -0.0900 168 ILE L C 2788 O O . ILE B 144 ? 0.6092 0.3608 0.4171 -0.0396 -0.0266 -0.1153 168 ILE L O 2789 C CB . ILE B 144 ? 0.5512 0.3380 0.3257 0.0004 -0.0360 -0.0694 168 ILE L CB 2790 C CG1 . ILE B 144 ? 0.5592 0.3644 0.3289 -0.0094 -0.0321 -0.0525 168 ILE L CG1 2791 C CG2 . ILE B 144 ? 0.5598 0.3725 0.3454 -0.0048 -0.0423 -0.0883 168 ILE L CG2 2792 C CD1 . ILE B 144 ? 0.5828 0.4305 0.3502 -0.0082 -0.0359 -0.0513 168 ILE L CD1 2793 N N . ASN B 145 ? 0.5888 0.3171 0.3838 -0.0408 -0.0132 -0.0726 169 ASN L N 2794 C CA . ASN B 145 ? 0.5981 0.3248 0.4069 -0.0646 -0.0088 -0.0832 169 ASN L CA 2795 C C . ASN B 145 ? 0.7152 0.4722 0.5184 -0.0717 -0.0111 -0.0689 169 ASN L C 2796 O O . ASN B 145 ? 0.7283 0.4949 0.5184 -0.0631 -0.0088 -0.0468 169 ASN L O 2797 C CB . ASN B 145 ? 0.6226 0.3005 0.4417 -0.0737 0.0104 -0.0809 169 ASN L CB 2798 C CG . ASN B 145 ? 0.9497 0.6010 0.7835 -0.0779 0.0164 -0.1113 169 ASN L CG 2799 O OD1 . ASN B 145 ? 0.9541 0.6339 0.7990 -0.0897 0.0068 -0.1425 169 ASN L OD1 2800 N ND2 . ASN B 145 ? 0.8855 0.4886 0.7197 -0.0662 0.0343 -0.1028 169 ASN L ND2 2801 N N . VAL B 146 ? 0.5214 0.3009 0.3349 -0.0859 -0.0146 -0.0827 170 VAL L N 2802 C CA . VAL B 146 ? 0.5166 0.3213 0.3286 -0.0952 -0.0127 -0.0745 170 VAL L CA 2803 C C . VAL B 146 ? 0.5071 0.3049 0.3307 -0.1152 -0.0060 -0.0784 170 VAL L C 2804 O O . VAL B 146 ? 0.5120 0.3091 0.3495 -0.1236 -0.0069 -0.0966 170 VAL L O 2805 C CB . VAL B 146 ? 0.5870 0.4237 0.4029 -0.0905 -0.0163 -0.0826 170 VAL L CB 2806 C CG1 . VAL B 146 ? 0.5888 0.4444 0.4060 -0.1024 -0.0083 -0.0780 170 VAL L CG1 2807 C CG2 . VAL B 146 ? 0.6890 0.5323 0.4963 -0.0722 -0.0212 -0.0797 170 VAL L CG2 2808 N N . LYS B 147 ? 0.5117 0.3122 0.3299 -0.1228 0.0008 -0.0627 171 LYS L N 2809 C CA A LYS B 147 ? 0.5462 0.3435 0.3745 -0.1414 0.0084 -0.0627 171 LYS L CA 2810 C CA B LYS B 147 ? 0.5474 0.3444 0.3755 -0.1413 0.0085 -0.0624 171 LYS L CA 2811 C C . LYS B 147 ? 0.5100 0.3399 0.3354 -0.1484 0.0100 -0.0601 171 LYS L C 2812 O O . LYS B 147 ? 0.5373 0.3866 0.3505 -0.1428 0.0105 -0.0517 171 LYS L O 2813 C CB A LYS B 147 ? 0.5789 0.3462 0.4053 -0.1429 0.0210 -0.0432 171 LYS L CB 2814 C CB B LYS B 147 ? 0.5807 0.3481 0.4062 -0.1418 0.0209 -0.0423 171 LYS L CB 2815 C CG A LYS B 147 ? 0.6355 0.3593 0.4693 -0.1376 0.0284 -0.0465 171 LYS L CG 2816 C CG B LYS B 147 ? 0.6783 0.4335 0.5179 -0.1614 0.0322 -0.0419 171 LYS L CG 2817 C CD A LYS B 147 ? 0.8415 0.5274 0.6832 -0.1429 0.0503 -0.0280 171 LYS L CD 2818 C CD B LYS B 147 ? 0.7882 0.4986 0.6326 -0.1586 0.0511 -0.0239 171 LYS L CD 2819 C CE A LYS B 147 ? 0.9158 0.5510 0.7753 -0.1470 0.0649 -0.0433 171 LYS L CE 2820 C CE B LYS B 147 ? 0.8673 0.5423 0.7185 -0.1511 0.0538 -0.0375 171 LYS L CE 2821 N NZ A LYS B 147 ? 1.0137 0.6042 0.8896 -0.1567 0.0940 -0.0286 171 LYS L NZ 2822 N NZ B LYS B 147 ? 0.9508 0.5702 0.8141 -0.1504 0.0807 -0.0240 171 LYS L NZ 2823 N N . TRP B 148 ? 0.4827 0.3236 0.3207 -0.1609 0.0126 -0.0702 172 TRP L N 2824 C CA . TRP B 148 ? 0.4646 0.3301 0.3030 -0.1688 0.0194 -0.0692 172 TRP L CA 2825 C C . TRP B 148 ? 0.4809 0.3435 0.3198 -0.1830 0.0264 -0.0590 172 TRP L C 2826 O O . TRP B 148 ? 0.4987 0.3430 0.3475 -0.1913 0.0284 -0.0593 172 TRP L O 2827 C CB . TRP B 148 ? 0.4842 0.3673 0.3364 -0.1681 0.0222 -0.0808 172 TRP L CB 2828 C CG . TRP B 148 ? 0.4377 0.3298 0.2903 -0.1520 0.0224 -0.0849 172 TRP L CG 2829 C CD1 . TRP B 148 ? 0.4784 0.3727 0.3341 -0.1374 0.0147 -0.0901 172 TRP L CD1 2830 C CD2 . TRP B 148 ? 0.4353 0.3368 0.2872 -0.1498 0.0340 -0.0857 172 TRP L CD2 2831 N NE1 . TRP B 148 ? 0.4635 0.3664 0.3200 -0.1234 0.0210 -0.0887 172 TRP L NE1 2832 C CE2 . TRP B 148 ? 0.4084 0.3124 0.2644 -0.1323 0.0344 -0.0874 172 TRP L CE2 2833 C CE3 . TRP B 148 ? 0.4481 0.3591 0.2986 -0.1624 0.0465 -0.0882 172 TRP L CE3 2834 C CZ2 . TRP B 148 ? 0.4495 0.3579 0.3110 -0.1283 0.0499 -0.0901 172 TRP L CZ2 2835 C CZ3 . TRP B 148 ? 0.5084 0.4270 0.3647 -0.1613 0.0613 -0.0968 172 TRP L CZ3 2836 C CH2 . TRP B 148 ? 0.4999 0.4135 0.3630 -0.1448 0.0644 -0.0969 172 TRP L CH2 2837 N N . LYS B 149 ? 0.4777 0.3620 0.3075 -0.1870 0.0323 -0.0521 173 LYS L N 2838 C CA . LYS B 149 ? 0.5354 0.4256 0.3654 -0.1988 0.0401 -0.0415 173 LYS L CA 2839 C C . LYS B 149 ? 0.5168 0.4362 0.3493 -0.2086 0.0478 -0.0515 173 LYS L C 2840 O O . LYS B 149 ? 0.5037 0.4423 0.3326 -0.2068 0.0508 -0.0625 173 LYS L O 2841 C CB . LYS B 149 ? 0.5405 0.4370 0.3554 -0.1910 0.0432 -0.0188 173 LYS L CB 2842 C CG . LYS B 149 ? 0.6295 0.4870 0.4456 -0.1801 0.0440 -0.0050 173 LYS L CG 2843 C CD . LYS B 149 ? 0.7465 0.6133 0.5480 -0.1646 0.0521 0.0257 173 LYS L CD 2844 C CE . LYS B 149 ? 0.8423 0.6627 0.6467 -0.1500 0.0581 0.0390 173 LYS L CE 2845 N NZ . LYS B 149 ? 0.8616 0.6898 0.6534 -0.1277 0.0719 0.0774 173 LYS L NZ 2846 N N . ILE B 150 ? 0.5093 0.4304 0.3506 -0.2204 0.0540 -0.0497 174 ILE L N 2847 C CA . ILE B 150 ? 0.4771 0.4225 0.3219 -0.2297 0.0649 -0.0579 174 ILE L CA 2848 C C . ILE B 150 ? 0.5004 0.4609 0.3384 -0.2383 0.0700 -0.0440 174 ILE L C 2849 O O . ILE B 150 ? 0.4962 0.4410 0.3412 -0.2433 0.0706 -0.0320 174 ILE L O 2850 C CB . ILE B 150 ? 0.5249 0.4676 0.3872 -0.2316 0.0695 -0.0659 174 ILE L CB 2851 C CG1 . ILE B 150 ? 0.5060 0.4405 0.3749 -0.2176 0.0649 -0.0736 174 ILE L CG1 2852 C CG2 . ILE B 150 ? 0.4883 0.4507 0.3548 -0.2381 0.0859 -0.0730 174 ILE L CG2 2853 C CD1 . ILE B 150 ? 0.5073 0.4544 0.3925 -0.2129 0.0699 -0.0766 174 ILE L CD1 2854 N N . ASP B 151 ? 0.5091 0.5050 0.3354 -0.2408 0.0755 -0.0472 175 ASP L N 2855 C CA . ASP B 151 ? 0.5280 0.5520 0.3442 -0.2439 0.0802 -0.0307 175 ASP L CA 2856 C C . ASP B 151 ? 0.5354 0.5377 0.3473 -0.2331 0.0771 -0.0013 175 ASP L C 2857 O O . ASP B 151 ? 0.5443 0.5421 0.3594 -0.2360 0.0848 0.0181 175 ASP L O 2858 C CB . ASP B 151 ? 0.5880 0.6180 0.4138 -0.2569 0.0900 -0.0332 175 ASP L CB 2859 C CG . ASP B 151 ? 0.6388 0.6959 0.4672 -0.2662 0.1013 -0.0590 175 ASP L CG 2860 O OD1 . ASP B 151 ? 0.5218 0.6030 0.3436 -0.2664 0.1034 -0.0761 175 ASP L OD1 2861 O OD2 . ASP B 151 ? 0.6761 0.7313 0.5153 -0.2740 0.1110 -0.0637 175 ASP L OD2 2862 N N . GLY B 152 ? 0.5562 0.5399 0.3635 -0.2200 0.0696 0.0025 176 GLY L N 2863 C CA . GLY B 152 ? 0.6070 0.5649 0.4115 -0.2065 0.0727 0.0305 176 GLY L CA 2864 C C . GLY B 152 ? 0.6260 0.5258 0.4499 -0.2125 0.0752 0.0296 176 GLY L C 2865 O O . GLY B 152 ? 0.6380 0.5054 0.4638 -0.2023 0.0833 0.0492 176 GLY L O 2866 N N . SER B 153 ? 0.5606 0.4507 0.4003 -0.2280 0.0716 0.0066 177 SER L N 2867 C CA . SER B 153 ? 0.5662 0.4190 0.4269 -0.2382 0.0740 -0.0019 177 SER L CA 2868 C C . SER B 153 ? 0.5482 0.3919 0.4129 -0.2334 0.0615 -0.0243 177 SER L C 2869 O O . SER B 153 ? 0.5178 0.3856 0.3789 -0.2299 0.0536 -0.0379 177 SER L O 2870 C CB . SER B 153 ? 0.5993 0.4645 0.4762 -0.2571 0.0787 -0.0110 177 SER L CB 2871 O OG . SER B 153 ? 0.7103 0.5829 0.5851 -0.2616 0.0917 0.0108 177 SER L OG 2872 N N . GLU B 154 ? 0.5711 0.3800 0.4451 -0.2326 0.0634 -0.0279 178 GLU L N 2873 C CA . GLU B 154 ? 0.5805 0.3860 0.4571 -0.2259 0.0515 -0.0487 178 GLU L CA 2874 C C . GLU B 154 ? 0.5320 0.3672 0.4229 -0.2354 0.0448 -0.0722 178 GLU L C 2875 O O . GLU B 154 ? 0.5589 0.4021 0.4664 -0.2527 0.0508 -0.0796 178 GLU L O 2876 C CB . GLU B 154 ? 0.6488 0.4115 0.5355 -0.2263 0.0591 -0.0523 178 GLU L CB 2877 C CG . GLU B 154 ? 0.7419 0.5057 0.6313 -0.2194 0.0469 -0.0763 178 GLU L CG 2878 C CD . GLU B 154 ? 0.8902 0.6156 0.7980 -0.2289 0.0583 -0.0925 178 GLU L CD 2879 O OE1 . GLU B 154 ? 0.8196 0.5449 0.7520 -0.2486 0.0683 -0.1071 178 GLU L OE1 2880 O OE2 . GLU B 154 ? 0.9666 0.6672 0.8674 -0.2140 0.0583 -0.0913 178 GLU L OE2 2881 N N . ARG B 155 ? 0.5475 0.4036 0.4328 -0.2218 0.0345 -0.0815 179 ARG L N 2882 C CA . ARG B 155 ? 0.4820 0.3751 0.3788 -0.2209 0.0307 -0.0965 179 ARG L CA 2883 C C . ARG B 155 ? 0.4783 0.3789 0.3782 -0.2092 0.0211 -0.1120 179 ARG L C 2884 O O . ARG B 155 ? 0.4750 0.3648 0.3623 -0.1930 0.0165 -0.1070 179 ARG L O 2885 C CB . ARG B 155 ? 0.4794 0.3935 0.3689 -0.2107 0.0351 -0.0882 179 ARG L CB 2886 C CG . ARG B 155 ? 0.5136 0.4653 0.4144 -0.2004 0.0370 -0.0947 179 ARG L CG 2887 C CD . ARG B 155 ? 0.5779 0.5573 0.4943 -0.2137 0.0396 -0.1004 179 ARG L CD 2888 N NE . ARG B 155 ? 0.5949 0.6220 0.5211 -0.1975 0.0435 -0.1009 179 ARG L NE 2889 C CZ . ARG B 155 ? 0.6238 0.6740 0.5559 -0.1940 0.0564 -0.0915 179 ARG L CZ 2890 N NH1 . ARG B 155 ? 0.5579 0.5888 0.4866 -0.2093 0.0642 -0.0852 179 ARG L NH1 2891 N NH2 . ARG B 155 ? 0.6411 0.7380 0.5826 -0.1725 0.0632 -0.0864 179 ARG L NH2 2892 N N . GLN B 156 ? 0.4434 0.2820 0.3794 -0.1940 0.0552 -0.0624 180 GLN L N 2893 C CA . GLN B 156 ? 0.5507 0.3844 0.4864 -0.1849 0.0364 -0.0675 180 GLN L CA 2894 C C . GLN B 156 ? 0.5564 0.4049 0.5027 -0.1857 0.0297 -0.0805 180 GLN L C 2895 O O . GLN B 156 ? 0.5373 0.3724 0.4666 -0.1726 0.0196 -0.0832 180 GLN L O 2896 C CB . GLN B 156 ? 0.5373 0.3710 0.4889 -0.1931 0.0278 -0.0674 180 GLN L CB 2897 C CG . GLN B 156 ? 0.5149 0.3251 0.4499 -0.1895 0.0321 -0.0563 180 GLN L CG 2898 C CD . GLN B 156 ? 0.5530 0.3537 0.5010 -0.1954 0.0225 -0.0588 180 GLN L CD 2899 O OE1 . GLN B 156 ? 0.4841 0.2850 0.4361 -0.1905 0.0072 -0.0689 180 GLN L OE1 2900 N NE2 . GLN B 156 ? 0.5000 0.2890 0.4529 -0.2063 0.0319 -0.0504 180 GLN L NE2 2901 N N . ASN B 157 ? 0.4871 0.3705 0.4631 -0.1947 0.0353 -0.0867 181 ASN L N 2902 C CA . ASN B 157 ? 0.4989 0.4136 0.4888 -0.1754 0.0261 -0.0931 181 ASN L CA 2903 C C . ASN B 157 ? 0.4833 0.3781 0.4470 -0.1518 0.0313 -0.0883 181 ASN L C 2904 O O . ASN B 157 ? 0.4632 0.3440 0.4150 -0.1509 0.0456 -0.0836 181 ASN L O 2905 C CB . ASN B 157 ? 0.5905 0.5583 0.6223 -0.1802 0.0326 -0.0964 181 ASN L CB 2906 C CG . ASN B 157 ? 0.7679 0.7722 0.8134 -0.1548 0.0245 -0.1019 181 ASN L CG 2907 O OD1 . ASN B 157 ? 0.8220 0.8502 0.8785 -0.1419 0.0363 -0.0998 181 ASN L OD1 2908 N ND2 . ASN B 157 ? 0.7372 0.7457 0.7787 -0.1440 0.0044 -0.1089 181 ASN L ND2 2909 N N . GLY B 158 ? 0.4800 0.3715 0.4334 -0.1324 0.0198 -0.0896 182 GLY L N 2910 C CA . GLY B 158 ? 0.4465 0.3144 0.3780 -0.1114 0.0260 -0.0840 182 GLY L CA 2911 C C . GLY B 158 ? 0.4363 0.2589 0.3370 -0.1134 0.0279 -0.0787 182 GLY L C 2912 O O . GLY B 158 ? 0.4949 0.2940 0.3812 -0.1017 0.0358 -0.0746 182 GLY L O 2913 N N . VAL B 159 ? 0.4907 0.3003 0.3827 -0.1279 0.0216 -0.0792 183 VAL L N 2914 C CA . VAL B 159 ? 0.4557 0.2303 0.3222 -0.1295 0.0237 -0.0746 183 VAL L CA 2915 C C . VAL B 159 ? 0.4425 0.2102 0.2946 -0.1164 0.0136 -0.0723 183 VAL L C 2916 O O . VAL B 159 ? 0.4932 0.2765 0.3497 -0.1163 0.0005 -0.0781 183 VAL L O 2917 C CB . VAL B 159 ? 0.4833 0.2707 0.3577 -0.1333 0.0225 -0.0675 183 VAL L CB 2918 C CG1 . VAL B 159 ? 0.4527 0.2327 0.3152 -0.1226 0.0220 -0.0591 183 VAL L CG1 2919 C CG2 . VAL B 159 ? 0.4557 0.2513 0.3373 -0.1405 0.0337 -0.0666 183 VAL L CG2 2920 N N . LEU B 160 ? 0.4631 0.2079 0.2983 -0.1058 0.0202 -0.0645 184 LEU L N 2921 C CA . LEU B 160 ? 0.5313 0.2673 0.3476 -0.0910 0.0154 -0.0583 184 LEU L CA 2922 C C . LEU B 160 ? 0.5496 0.2610 0.3509 -0.0972 0.0229 -0.0528 184 LEU L C 2923 O O . LEU B 160 ? 0.5439 0.2517 0.3538 -0.0984 0.0340 -0.0474 184 LEU L O 2924 C CB . LEU B 160 ? 0.5588 0.2927 0.3706 -0.0687 0.0199 -0.0496 184 LEU L CB 2925 C CG . LEU B 160 ? 0.6506 0.4155 0.4700 -0.0512 0.0080 -0.0531 184 LEU L CG 2926 C CD1 . LEU B 160 ? 0.6723 0.4250 0.4784 -0.0240 0.0151 -0.0399 184 LEU L CD1 2927 C CD2 . LEU B 160 ? 0.6898 0.4736 0.5023 -0.0491 -0.0101 -0.0608 184 LEU L CD2 2928 N N . ASN B 161 ? 0.5234 0.2331 0.3107 -0.0965 0.0154 -0.0538 185 ASN L N 2929 C CA . ASN B 161 ? 0.4978 0.2053 0.2809 -0.0965 0.0215 -0.0467 185 ASN L CA 2930 C C . ASN B 161 ? 0.5649 0.2541 0.3207 -0.0834 0.0248 -0.0393 185 ASN L C 2931 O O . ASN B 161 ? 0.5769 0.2749 0.3203 -0.0679 0.0153 -0.0398 185 ASN L O 2932 C CB . ASN B 161 ? 0.4696 0.1977 0.2621 -0.0988 0.0132 -0.0496 185 ASN L CB 2933 C CG . ASN B 161 ? 0.4921 0.2439 0.3116 -0.1043 0.0135 -0.0499 185 ASN L CG 2934 O OD1 . ASN B 161 ? 0.5110 0.2691 0.3415 -0.1057 0.0207 -0.0477 185 ASN L OD1 2935 N ND2 . ASN B 161 ? 0.5645 0.3241 0.3909 -0.1071 0.0064 -0.0534 185 ASN L ND2 2936 N N . SER B 162 ? 0.5318 0.2097 0.2852 -0.0857 0.0382 -0.0305 186 SER L N 2937 C CA . SER B 162 ? 0.5267 0.2007 0.2615 -0.0706 0.0458 -0.0179 186 SER L CA 2938 C C . SER B 162 ? 0.6153 0.2903 0.3510 -0.0785 0.0532 -0.0166 186 SER L C 2939 O O . SER B 162 ? 0.5817 0.2567 0.3359 -0.0953 0.0577 -0.0212 186 SER L O 2940 C CB . SER B 162 ? 0.5726 0.2323 0.3076 -0.0620 0.0610 -0.0023 186 SER L CB 2941 O OG . SER B 162 ? 0.6421 0.2976 0.3563 -0.0457 0.0713 0.0138 186 SER L OG 2942 N N . TRP B 163 ? 0.5824 0.2621 0.2972 -0.0641 0.0538 -0.0115 187 TRP L N 2943 C CA . TRP B 163 ? 0.6137 0.3011 0.3287 -0.0669 0.0603 -0.0107 187 TRP L CA 2944 C C . TRP B 163 ? 0.6262 0.3162 0.3317 -0.0549 0.0786 0.0072 187 TRP L C 2945 O O . TRP B 163 ? 0.6346 0.3219 0.3154 -0.0347 0.0793 0.0160 187 TRP L O 2946 C CB . TRP B 163 ? 0.6172 0.3085 0.3140 -0.0590 0.0449 -0.0233 187 TRP L CB 2947 C CG . TRP B 163 ? 0.7322 0.4177 0.4371 -0.0715 0.0300 -0.0381 187 TRP L CG 2948 C CD1 . TRP B 163 ? 0.6945 0.3792 0.4089 -0.0832 0.0279 -0.0445 187 TRP L CD1 2949 C CD2 . TRP B 163 ? 0.6930 0.3751 0.3977 -0.0728 0.0164 -0.0468 187 TRP L CD2 2950 N NE1 . TRP B 163 ? 0.7245 0.4262 0.4604 -0.0853 0.0165 -0.0470 187 TRP L NE1 2951 C CE2 . TRP B 163 ? 0.6540 0.3511 0.3848 -0.0827 0.0098 -0.0507 187 TRP L CE2 2952 C CE3 . TRP B 163 ? 0.7682 0.4549 0.4655 -0.0614 0.0097 -0.0470 187 TRP L CE3 2953 C CZ2 . TRP B 163 ? 0.6779 0.3891 0.4282 -0.0857 -0.0004 -0.0558 187 TRP L CZ2 2954 C CZ3 . TRP B 163 ? 0.7816 0.4726 0.4890 -0.0683 -0.0045 -0.0592 187 TRP L CZ3 2955 C CH2 . TRP B 163 ? 0.7390 0.4434 0.4768 -0.0821 -0.0079 -0.0627 187 TRP L CH2 2956 N N . THR B 164 ? 0.5962 0.2944 0.3220 -0.0669 0.0938 0.0128 188 THR L N 2957 C CA . THR B 164 ? 0.6304 0.3357 0.3510 -0.0578 0.1143 0.0310 188 THR L CA 2958 C C . THR B 164 ? 0.6439 0.3660 0.3389 -0.0379 0.1099 0.0286 188 THR L C 2959 O O . THR B 164 ? 0.6307 0.3579 0.3203 -0.0366 0.0931 0.0120 188 THR L O 2960 C CB . THR B 164 ? 0.6616 0.3769 0.4192 -0.0799 0.1320 0.0353 188 THR L CB 2961 O OG1 . THR B 164 ? 0.6186 0.3550 0.3919 -0.0898 0.1208 0.0184 188 THR L OG1 2962 C CG2 . THR B 164 ? 0.6568 0.3493 0.4367 -0.0978 0.1387 0.0370 188 THR L CG2 2963 N N . ASP B 165 ? 0.6809 0.4086 0.3572 -0.0202 0.1267 0.0464 189 ASP L N 2964 C CA . ASP B 165 ? 0.6999 0.4480 0.3560 -0.0013 0.1287 0.0456 189 ASP L CA 2965 C C . ASP B 165 ? 0.6821 0.4555 0.3715 -0.0166 0.1381 0.0430 189 ASP L C 2966 O O . ASP B 165 ? 0.6830 0.4606 0.4106 -0.0411 0.1490 0.0467 189 ASP L O 2967 C CB . ASP B 165 ? 0.8183 0.5700 0.4455 0.0225 0.1483 0.0678 189 ASP L CB 2968 C CG . ASP B 165 ? 0.9138 0.6498 0.5004 0.0461 0.1339 0.0665 189 ASP L CG 2969 O OD1 . ASP B 165 ? 1.0059 0.7384 0.5778 0.0518 0.1073 0.0436 189 ASP L OD1 2970 O OD2 . ASP B 165 ? 1.1247 0.8518 0.6951 0.0586 0.1491 0.0881 189 ASP L OD2 2971 N N . GLN B 166 ? 0.6180 0.4096 0.2927 -0.0003 0.1329 0.0347 190 GLN L N 2972 C CA . GLN B 166 ? 0.6446 0.4684 0.3496 -0.0089 0.1410 0.0322 190 GLN L CA 2973 C C . GLN B 166 ? 0.6543 0.5002 0.3892 -0.0205 0.1710 0.0529 190 GLN L C 2974 O O . GLN B 166 ? 0.7106 0.5542 0.4262 -0.0066 0.1897 0.0725 190 GLN L O 2975 C CB . GLN B 166 ? 0.6248 0.4638 0.3032 0.0181 0.1345 0.0234 190 GLN L CB 2976 C CG . GLN B 166 ? 0.6222 0.4989 0.3306 0.0144 0.1392 0.0187 190 GLN L CG 2977 C CD . GLN B 166 ? 0.6847 0.5701 0.3634 0.0448 0.1309 0.0084 190 GLN L CD 2978 O OE1 . GLN B 166 ? 0.7340 0.6127 0.3739 0.0712 0.1337 0.0108 190 GLN L OE1 2979 N NE2 . GLN B 166 ? 0.6277 0.5267 0.3211 0.0443 0.1202 -0.0039 190 GLN L NE2 2980 N N . ASP B 167 ? 0.5987 0.4653 0.3809 -0.0465 0.1760 0.0486 191 ASP L N 2981 C CA . ASP B 167 ? 0.6745 0.5602 0.4951 -0.0653 0.2046 0.0656 191 ASP L CA 2982 C C . ASP B 167 ? 0.6967 0.6279 0.5221 -0.0501 0.2235 0.0756 191 ASP L C 2983 O O . ASP B 167 ? 0.7004 0.6629 0.5284 -0.0390 0.2123 0.0616 191 ASP L O 2984 C CB . ASP B 167 ? 0.6294 0.5257 0.5011 -0.0991 0.1999 0.0518 191 ASP L CB 2985 C CG . ASP B 167 ? 0.7920 0.6955 0.7076 -0.1258 0.2278 0.0662 191 ASP L CG 2986 O OD1 . ASP B 167 ? 0.8317 0.7776 0.7742 -0.1285 0.2478 0.0751 191 ASP L OD1 2987 O OD2 . ASP B 167 ? 0.9245 0.7912 0.8499 -0.1446 0.2305 0.0680 191 ASP L OD2 2988 N N . SER B 168 ? 0.8034 0.7387 0.6281 -0.0469 0.2538 0.1013 192 SER L N 2989 C CA . SER B 168 ? 0.9098 0.8930 0.7391 -0.0308 0.2750 0.1123 192 SER L CA 2990 C C . SER B 168 ? 0.9185 0.9551 0.8141 -0.0570 0.2851 0.1062 192 SER L C 2991 O O . SER B 168 ? 0.9952 1.0828 0.9003 -0.0419 0.2944 0.1068 192 SER L O 2992 C CB . SER B 168 ? 0.8908 0.8655 0.6982 -0.0183 0.3079 0.1448 192 SER L CB 2993 O OG . SER B 168 ? 0.8949 0.8440 0.7335 -0.0467 0.3164 0.1569 192 SER L OG 2994 N N . LYS B 169 ? 0.7310 0.7601 0.6728 -0.0941 0.2820 0.0978 193 LYS L N 2995 C CA . LYS B 169 ? 0.7867 0.8702 0.7966 -0.1221 0.2901 0.0890 193 LYS L CA 2996 C C . LYS B 169 ? 0.7732 0.8881 0.7953 -0.1190 0.2586 0.0590 193 LYS L C 2997 O O . LYS B 169 ? 0.8389 1.0171 0.8953 -0.1170 0.2621 0.0524 193 LYS L O 2998 C CB . LYS B 169 ? 0.8600 0.9205 0.9151 -0.1642 0.3029 0.0921 193 LYS L CB 2999 C CG . LYS B 169 ? 0.9809 1.0188 1.0320 -0.1647 0.3284 0.1234 193 LYS L CG 3000 C CD . LYS B 169 ? 1.0621 1.0763 1.1554 -0.1979 0.3244 0.1219 193 LYS L CD 3001 C CE . LYS B 169 ? 1.1067 1.0940 1.1878 -0.1939 0.3433 0.1515 193 LYS L CE 3002 N NZ . LYS B 169 ? 1.1326 1.0885 1.2476 -0.2226 0.3405 0.1495 193 LYS L NZ 3003 N N . ASP B 170 ? 0.6661 0.7413 0.6611 -0.1168 0.2289 0.0417 194 ASP L N 3004 C CA . ASP B 170 ? 0.5525 0.6526 0.5519 -0.1101 0.2010 0.0171 194 ASP L CA 3005 C C . ASP B 170 ? 0.6193 0.6887 0.5583 -0.0761 0.1792 0.0112 194 ASP L C 3006 O O . ASP B 170 ? 0.5612 0.6401 0.4954 -0.0675 0.1567 -0.0061 194 ASP L O 3007 C CB . ASP B 170 ? 0.5835 0.6726 0.6124 -0.1406 0.1848 -0.0016 194 ASP L CB 3008 C CG . ASP B 170 ? 0.6583 0.6788 0.6532 -0.1452 0.1751 -0.0009 194 ASP L CG 3009 O OD1 . ASP B 170 ? 0.6488 0.6326 0.5939 -0.1222 0.1714 0.0081 194 ASP L OD1 3010 O OD2 . ASP B 170 ? 0.7001 0.7061 0.7196 -0.1716 0.1702 -0.0116 194 ASP L OD2 3011 N N . SER B 171 ? 0.5480 0.5793 0.4407 -0.0568 0.1849 0.0245 195 SER L N 3012 C CA . SER B 171 ? 0.5604 0.5614 0.3977 -0.0261 0.1658 0.0174 195 SER L CA 3013 C C . SER B 171 ? 0.5272 0.4894 0.3506 -0.0341 0.1390 0.0014 195 SER L C 3014 O O . SER B 171 ? 0.5322 0.4747 0.3209 -0.0136 0.1213 -0.0084 195 SER L O 3015 C CB . SER B 171 ? 0.5588 0.5981 0.3878 0.0028 0.1633 0.0113 195 SER L CB 3016 O OG . SER B 171 ? 0.5822 0.6606 0.4206 0.0140 0.1899 0.0269 195 SER L OG 3017 N N . THR B 172 ? 0.5214 0.4696 0.3701 -0.0629 0.1371 -0.0013 196 THR L N 3018 C CA . THR B 172 ? 0.5211 0.4348 0.3563 -0.0700 0.1152 -0.0143 196 THR L CA 3019 C C . THR B 172 ? 0.5825 0.4483 0.3910 -0.0712 0.1139 -0.0078 196 THR L C 3020 O O . THR B 172 ? 0.5814 0.4389 0.3822 -0.0676 0.1295 0.0072 196 THR L O 3021 C CB . THR B 172 ? 0.5477 0.4771 0.4231 -0.0972 0.1108 -0.0253 196 THR L CB 3022 O OG1 . THR B 172 ? 0.5125 0.4352 0.4156 -0.1210 0.1278 -0.0172 196 THR L OG1 3023 C CG2 . THR B 172 ? 0.5069 0.4920 0.4117 -0.0950 0.1086 -0.0345 196 THR L CG2 3024 N N . TYR B 173 ? 0.5300 0.3673 0.3245 -0.0749 0.0955 -0.0185 197 TYR L N 3025 C CA . TYR B 173 ? 0.5228 0.3223 0.3003 -0.0787 0.0910 -0.0163 197 TYR L CA 3026 C C . TYR B 173 ? 0.5242 0.3150 0.3260 -0.1024 0.0882 -0.0225 197 TYR L C 3027 O O . TYR B 173 ? 0.5553 0.3645 0.3780 -0.1133 0.0831 -0.0329 197 TYR L O 3028 C CB . TYR B 173 ? 0.5753 0.3501 0.3180 -0.0637 0.0728 -0.0247 197 TYR L CB 3029 C CG . TYR B 173 ? 0.6404 0.4178 0.3540 -0.0381 0.0725 -0.0235 197 TYR L CG 3030 C CD1 . TYR B 173 ? 0.6189 0.3845 0.3076 -0.0242 0.0759 -0.0169 197 TYR L CD1 3031 C CD2 . TYR B 173 ? 0.5918 0.3838 0.2995 -0.0244 0.0683 -0.0298 197 TYR L CD2 3032 C CE1 . TYR B 173 ? 0.6953 0.4635 0.3535 0.0016 0.0751 -0.0185 197 TYR L CE1 3033 C CE2 . TYR B 173 ? 0.6499 0.4419 0.3281 0.0020 0.0686 -0.0306 197 TYR L CE2 3034 C CZ . TYR B 173 ? 0.7265 0.5064 0.3799 0.0141 0.0718 -0.0260 197 TYR L CZ 3035 O OH . TYR B 173 ? 0.7450 0.5251 0.3653 0.0425 0.0711 -0.0296 197 TYR L OH 3036 N N . SER B 174 ? 0.5432 0.3075 0.3402 -0.1074 0.0910 -0.0171 198 SER L N 3037 C CA . SER B 174 ? 0.5126 0.2632 0.3256 -0.1251 0.0872 -0.0246 198 SER L CA 3038 C C . SER B 174 ? 0.5868 0.3104 0.3783 -0.1183 0.0785 -0.0242 198 SER L C 3039 O O . SER B 174 ? 0.5892 0.3046 0.3575 -0.1024 0.0773 -0.0172 198 SER L O 3040 C CB . SER B 174 ? 0.5401 0.2898 0.3825 -0.1422 0.1043 -0.0191 198 SER L CB 3041 O OG . SER B 174 ? 0.5505 0.3326 0.4217 -0.1529 0.1107 -0.0232 198 SER L OG 3042 N N . MET B 175 ? 0.4113 0.3053 0.3265 -0.1539 0.0921 -0.0345 199 MET L N 3043 C CA . MET B 175 ? 0.4118 0.2917 0.3089 -0.1544 0.0828 -0.0381 199 MET L CA 3044 C C . MET B 175 ? 0.5041 0.3846 0.4165 -0.1662 0.0819 -0.0407 199 MET L C 3045 O O . MET B 175 ? 0.4916 0.3828 0.4251 -0.1757 0.0823 -0.0453 199 MET L O 3046 C CB . MET B 175 ? 0.5285 0.4019 0.4121 -0.1538 0.0716 -0.0454 199 MET L CB 3047 C CG . MET B 175 ? 0.6394 0.5042 0.5170 -0.1605 0.0631 -0.0517 199 MET L CG 3048 S SD . MET B 175 ? 0.5478 0.3986 0.4153 -0.1618 0.0573 -0.0576 199 MET L SD 3049 C CE . MET B 175 ? 0.5440 0.3898 0.4120 -0.1715 0.0511 -0.0660 199 MET L CE 3050 N N . SER B 176 ? 0.4397 0.3116 0.3412 -0.1638 0.0799 -0.0398 200 SER L N 3051 C CA . SER B 176 ? 0.4135 0.2837 0.3257 -0.1717 0.0792 -0.0423 200 SER L CA 3052 C C . SER B 176 ? 0.4335 0.3036 0.3343 -0.1724 0.0675 -0.0487 200 SER L C 3053 O O . SER B 176 ? 0.4381 0.3079 0.3233 -0.1642 0.0628 -0.0499 200 SER L O 3054 C CB . SER B 176 ? 0.4599 0.3212 0.3746 -0.1655 0.0930 -0.0323 200 SER L CB 3055 O OG . SER B 176 ? 0.5126 0.3689 0.4346 -0.1700 0.0930 -0.0350 200 SER L OG 3056 N N . SER B 177 ? 0.3829 0.2599 0.2939 -0.1767 0.0619 -0.0533 201 SER L N 3057 C CA . SER B 177 ? 0.4249 0.3063 0.3320 -0.1761 0.0540 -0.0574 201 SER L CA 3058 C C . SER B 177 ? 0.4571 0.3437 0.3734 -0.1755 0.0548 -0.0578 201 SER L C 3059 O O . SER B 177 ? 0.4247 0.3160 0.3514 -0.1740 0.0559 -0.0582 201 SER L O 3060 C CB . SER B 177 ? 0.4183 0.3035 0.3255 -0.1748 0.0491 -0.0584 201 SER L CB 3061 O OG . SER B 177 ? 0.4237 0.3119 0.3321 -0.1758 0.0455 -0.0613 201 SER L OG 3062 N N . THR B 178 ? 0.4660 0.3519 0.3775 -0.1786 0.0540 -0.0608 202 THR L N 3063 C CA . THR B 178 ? 0.4599 0.3466 0.3775 -0.1796 0.0573 -0.0619 202 THR L CA 3064 C C . THR B 178 ? 0.4491 0.3513 0.3707 -0.1821 0.0506 -0.0681 202 THR L C 3065 O O . THR B 178 ? 0.4267 0.3401 0.3462 -0.1795 0.0445 -0.0722 202 THR L O 3066 C CB . THR B 178 ? 0.4958 0.3772 0.4073 -0.1651 0.0637 -0.0538 202 THR L CB 3067 O OG1 . THR B 178 ? 0.5004 0.3661 0.4132 -0.1644 0.0746 -0.0464 202 THR L OG1 3068 C CG2 . THR B 178 ? 0.4644 0.3452 0.3818 -0.1606 0.0680 -0.0536 202 THR L CG2 3069 N N . LEU B 179 ? 0.3800 0.2891 0.3099 -0.1808 0.0513 -0.0682 203 LEU L N 3070 C CA . LEU B 179 ? 0.4094 0.3331 0.3466 -0.1848 0.0497 -0.0725 203 LEU L CA 3071 C C . LEU B 179 ? 0.4233 0.3508 0.3642 -0.1845 0.0538 -0.0757 203 LEU L C 3072 O O . LEU B 179 ? 0.4531 0.3710 0.3935 -0.1832 0.0594 -0.0757 203 LEU L O 3073 C CB . LEU B 179 ? 0.4188 0.3444 0.3572 -0.1844 0.0515 -0.0697 203 LEU L CB 3074 C CG . LEU B 179 ? 0.4068 0.3446 0.3535 -0.1905 0.0558 -0.0725 203 LEU L CG 3075 C CD1 . LEU B 179 ? 0.4353 0.3857 0.3953 -0.1955 0.0534 -0.0762 203 LEU L CD1 3076 C CD2 . LEU B 179 ? 0.4587 0.3920 0.3981 -0.1928 0.0618 -0.0691 203 LEU L CD2 3077 N N . THR B 180 ? 0.4289 0.3757 0.3748 -0.1768 0.0495 -0.0777 204 THR L N 3078 C CA . THR B 180 ? 0.4713 0.4264 0.4193 -0.1629 0.0526 -0.0760 204 THR L CA 3079 C C . THR B 180 ? 0.4608 0.4433 0.4249 -0.1663 0.0518 -0.0822 204 THR L C 3080 O O . THR B 180 ? 0.4133 0.4200 0.3902 -0.1718 0.0453 -0.0891 204 THR L O 3081 C CB . THR B 180 ? 0.4802 0.4411 0.4191 -0.1438 0.0494 -0.0713 204 THR L CB 3082 O OG1 . THR B 180 ? 0.4455 0.3779 0.3707 -0.1396 0.0560 -0.0622 204 THR L OG1 3083 C CG2 . THR B 180 ? 0.4881 0.4591 0.4284 -0.1255 0.0535 -0.0681 204 THR L CG2 3084 N N . LEU B 181 ? 0.4284 0.4081 0.3942 -0.1637 0.0594 -0.0817 205 LEU L N 3085 C CA . LEU B 181 ? 0.4712 0.4775 0.4518 -0.1633 0.0624 -0.0855 205 LEU L CA 3086 C C . LEU B 181 ? 0.4312 0.4421 0.4101 -0.1429 0.0661 -0.0838 205 LEU L C 3087 O O . LEU B 181 ? 0.4561 0.4424 0.4214 -0.1309 0.0690 -0.0786 205 LEU L O 3088 C CB . LEU B 181 ? 0.4845 0.4836 0.4635 -0.1740 0.0705 -0.0858 205 LEU L CB 3089 C CG . LEU B 181 ? 0.6071 0.5880 0.5774 -0.1875 0.0704 -0.0838 205 LEU L CG 3090 C CD1 . LEU B 181 ? 0.6400 0.6141 0.5998 -0.1881 0.0779 -0.0833 205 LEU L CD1 3091 C CD2 . LEU B 181 ? 0.5796 0.5730 0.5642 -0.2003 0.0694 -0.0844 205 LEU L CD2 3092 N N . THR B 182 ? 0.4430 0.4840 0.4369 -0.1386 0.0686 -0.0871 206 THR L N 3093 C CA . THR B 182 ? 0.4251 0.4656 0.4152 -0.1185 0.0754 -0.0855 206 THR L CA 3094 C C . THR B 182 ? 0.4577 0.4702 0.4364 -0.1221 0.0852 -0.0876 206 THR L C 3095 O O . THR B 182 ? 0.4248 0.4332 0.4016 -0.1379 0.0866 -0.0901 206 THR L O 3096 C CB . THR B 182 ? 0.4440 0.5316 0.4561 -0.1106 0.0753 -0.0893 206 THR L CB 3097 O OG1 . THR B 182 ? 0.4429 0.5447 0.4689 -0.1277 0.0820 -0.0927 206 THR L OG1 3098 C CG2 . THR B 182 ? 0.4500 0.5741 0.4770 -0.1080 0.0621 -0.0933 206 THR L CG2 3099 N N . LYS B 183 ? 0.5048 0.4974 0.4744 -0.1052 0.0924 -0.0876 207 LYS L N 3100 C CA . LYS B 183 ? 0.4800 0.4503 0.4403 -0.1072 0.1003 -0.0956 207 LYS L CA 3101 C C . LYS B 183 ? 0.4936 0.4925 0.4592 -0.1110 0.1039 -0.0995 207 LYS L C 3102 O O . LYS B 183 ? 0.4928 0.4837 0.4483 -0.1195 0.1061 -0.1052 207 LYS L O 3103 C CB . LYS B 183 ? 0.4785 0.4228 0.4320 -0.0873 0.1098 -0.0972 207 LYS L CB 3104 C CG . LYS B 183 ? 0.5064 0.4321 0.4519 -0.0869 0.1175 -0.1113 207 LYS L CG 3105 C CD . LYS B 183 ? 0.6534 0.5508 0.5947 -0.0659 0.1293 -0.1135 207 LYS L CD 3106 C CE . LYS B 183 ? 0.8945 0.7633 0.8286 -0.0685 0.1360 -0.1332 207 LYS L CE 3107 N NZ . LYS B 183 ? 1.0631 0.8899 0.9951 -0.0513 0.1501 -0.1359 207 LYS L NZ 3108 N N . ASP B 184 ? 0.4803 0.5165 0.4622 -0.1036 0.1053 -0.0962 208 ASP L N 3109 C CA . ASP B 184 ? 0.5464 0.6109 0.5365 -0.1065 0.1135 -0.0976 208 ASP L CA 3110 C C . ASP B 184 ? 0.4865 0.5548 0.4788 -0.1282 0.1134 -0.0943 208 ASP L C 3111 O O . ASP B 184 ? 0.4462 0.5127 0.4273 -0.1304 0.1219 -0.0942 208 ASP L O 3112 C CB . ASP B 184 ? 0.6188 0.7283 0.6338 -0.0957 0.1155 -0.0958 208 ASP L CB 3113 C CG . ASP B 184 ? 0.7992 0.9074 0.8079 -0.0690 0.1221 -0.0980 208 ASP L CG 3114 O OD1 . ASP B 184 ? 0.8688 0.9411 0.8553 -0.0623 0.1279 -0.1031 208 ASP L OD1 3115 O OD2 . ASP B 184 ? 0.8825 1.0265 0.9092 -0.0538 0.1212 -0.0964 208 ASP L OD2 3116 N N . GLU B 185 ? 0.4148 0.4868 0.4185 -0.1417 0.1050 -0.0913 209 GLU L N 3117 C CA . GLU B 185 ? 0.4528 0.5209 0.4573 -0.1606 0.1073 -0.0871 209 GLU L CA 3118 C C . GLU B 185 ? 0.4616 0.4957 0.4382 -0.1624 0.1057 -0.0872 209 GLU L C 3119 O O . GLU B 185 ? 0.4726 0.5036 0.4389 -0.1673 0.1128 -0.0828 209 GLU L O 3120 C CB . GLU B 185 ? 0.4720 0.5484 0.4945 -0.1739 0.0984 -0.0875 209 GLU L CB 3121 C CG . GLU B 185 ? 0.6591 0.7239 0.6820 -0.1923 0.1036 -0.0825 209 GLU L CG 3122 C CD . GLU B 185 ? 0.8980 0.9756 0.9459 -0.2075 0.0983 -0.0870 209 GLU L CD 3123 O OE1 . GLU B 185 ? 0.9480 1.0311 0.9986 -0.2031 0.0842 -0.0938 209 GLU L OE1 3124 O OE2 . GLU B 185 ? 1.0024 1.0831 1.0666 -0.2230 0.1097 -0.0842 209 GLU L OE2 3125 N N . TYR B 186 ? 0.4406 0.4510 0.4059 -0.1572 0.0975 -0.0918 210 TYR L N 3126 C CA . TYR B 186 ? 0.4133 0.3986 0.3594 -0.1601 0.0945 -0.0960 210 TYR L CA 3127 C C . TYR B 186 ? 0.4661 0.4536 0.3966 -0.1521 0.1011 -0.1027 210 TYR L C 3128 O O . TYR B 186 ? 0.4736 0.4583 0.3887 -0.1544 0.1004 -0.1034 210 TYR L O 3129 C CB . TYR B 186 ? 0.4663 0.4274 0.4106 -0.1567 0.0891 -0.1008 210 TYR L CB 3130 C CG . TYR B 186 ? 0.4268 0.3676 0.3600 -0.1606 0.0864 -0.1102 210 TYR L CG 3131 C CD1 . TYR B 186 ? 0.4435 0.3823 0.3719 -0.1707 0.0807 -0.1082 210 TYR L CD1 3132 C CD2 . TYR B 186 ? 0.4429 0.3684 0.3730 -0.1539 0.0897 -0.1235 210 TYR L CD2 3133 C CE1 . TYR B 186 ? 0.4219 0.3513 0.3444 -0.1734 0.0766 -0.1197 210 TYR L CE1 3134 C CE2 . TYR B 186 ? 0.4899 0.4030 0.4166 -0.1598 0.0860 -0.1375 210 TYR L CE2 3135 C CZ . TYR B 186 ? 0.4395 0.3583 0.3635 -0.1694 0.0786 -0.1357 210 TYR L CZ 3136 O OH . TYR B 186 ? 0.4956 0.4110 0.4203 -0.1744 0.0733 -0.1523 210 TYR L OH 3137 N N . GLU B 187 ? 0.4451 0.4402 0.3770 -0.1393 0.1074 -0.1078 211 GLU L N 3138 C CA . GLU B 187 ? 0.4965 0.4943 0.4107 -0.1284 0.1134 -0.1172 211 GLU L CA 3139 C C . GLU B 187 ? 0.5147 0.5369 0.4235 -0.1266 0.1244 -0.1071 211 GLU L C 3140 O O . GLU B 187 ? 0.5324 0.5597 0.4201 -0.1150 0.1299 -0.1131 211 GLU L O 3141 C CB . GLU B 187 ? 0.5286 0.5222 0.4453 -0.1133 0.1183 -0.1264 211 GLU L CB 3142 C CG . GLU B 187 ? 0.5724 0.5326 0.4893 -0.1128 0.1133 -0.1376 211 GLU L CG 3143 C CD . GLU B 187 ? 0.7283 0.6773 0.6460 -0.0953 0.1215 -0.1452 211 GLU L CD 3144 O OE1 . GLU B 187 ? 0.8379 0.8107 0.7576 -0.0827 0.1290 -0.1407 211 GLU L OE1 3145 O OE2 . GLU B 187 ? 0.8293 0.7446 0.7474 -0.0940 0.1225 -0.1552 211 GLU L OE2 3146 N N . ARG B 188 ? 0.5044 0.5413 0.4320 -0.1373 0.1292 -0.0929 212 ARG L N 3147 C CA . ARG B 188 ? 0.5812 0.6362 0.5093 -0.1389 0.1446 -0.0801 212 ARG L CA 3148 C C . ARG B 188 ? 0.5347 0.5761 0.4407 -0.1422 0.1459 -0.0721 212 ARG L C 3149 O O . ARG B 188 ? 0.5312 0.5811 0.4302 -0.1396 0.1625 -0.0586 212 ARG L O 3150 C CB . ARG B 188 ? 0.5593 0.6345 0.5239 -0.1524 0.1502 -0.0717 212 ARG L CB 3151 C CG . ARG B 188 ? 0.7622 0.8705 0.7461 -0.1461 0.1661 -0.0686 212 ARG L CG 3152 C CD . ARG B 188 ? 0.7791 0.9114 0.7951 -0.1458 0.1589 -0.0754 212 ARG L CD 3153 N NE . ARG B 188 ? 0.8283 0.9680 0.8724 -0.1646 0.1514 -0.0751 212 ARG L NE 3154 C CZ . ARG B 188 ? 0.8545 1.0145 0.9216 -0.1635 0.1393 -0.0829 212 ARG L CZ 3155 N NH1 . ARG B 188 ? 0.9146 1.0861 0.9794 -0.1432 0.1353 -0.0879 212 ARG L NH1 3156 N NH2 . ARG B 188 ? 0.7648 0.9334 0.8549 -0.1800 0.1312 -0.0862 212 ARG L NH2 3157 N N . HIS B 189 ? 0.5056 0.5271 0.4007 -0.1460 0.1310 -0.0786 213 HIS L N 3158 C CA . HIS B 189 ? 0.4839 0.4953 0.3584 -0.1460 0.1302 -0.0713 213 HIS L CA 3159 C C . HIS B 189 ? 0.5580 0.5617 0.4134 -0.1389 0.1146 -0.0882 213 HIS L C 3160 O O . HIS B 189 ? 0.6166 0.6135 0.4820 -0.1410 0.1050 -0.1036 213 HIS L O 3161 C CB . HIS B 189 ? 0.5458 0.5449 0.4371 -0.1627 0.1285 -0.0610 213 HIS L CB 3162 C CG . HIS B 189 ? 0.6725 0.6813 0.5914 -0.1743 0.1423 -0.0505 213 HIS L CG 3163 N ND1 . HIS B 189 ? 0.7429 0.7541 0.6603 -0.1747 0.1632 -0.0343 213 HIS L ND1 3164 C CD2 . HIS B 189 ? 0.7105 0.7299 0.6614 -0.1855 0.1388 -0.0553 213 HIS L CD2 3165 C CE1 . HIS B 189 ? 0.7556 0.7786 0.7089 -0.1897 0.1725 -0.0318 213 HIS L CE1 3166 N NE2 . HIS B 189 ? 0.7144 0.7460 0.6879 -0.1956 0.1558 -0.0458 213 HIS L NE2 3167 N N . ASN B 190 ? 0.5588 0.5646 0.3884 -0.1296 0.1133 -0.0854 214 ASN L N 3168 C CA . ASN B 190 ? 0.5133 0.5225 0.3276 -0.1218 0.0978 -0.1060 214 ASN L CA 3169 C C . ASN B 190 ? 0.4952 0.4977 0.3107 -0.1281 0.0860 -0.1059 214 ASN L C 3170 O O . ASN B 190 ? 0.6005 0.6029 0.4241 -0.1322 0.0722 -0.1257 214 ASN L O 3171 C CB . ASN B 190 ? 0.6712 0.7001 0.4507 -0.0988 0.1015 -0.1104 214 ASN L CB 3172 C CG . ASN B 190 ? 0.7528 0.7903 0.5293 -0.0896 0.1109 -0.1175 214 ASN L CG 3173 O OD1 . ASN B 190 ? 0.7219 0.7508 0.5220 -0.0988 0.1102 -0.1260 214 ASN L OD1 3174 N ND2 . ASN B 190 ? 0.8095 0.8645 0.5542 -0.0680 0.1210 -0.1128 214 ASN L ND2 3175 N N . SER B 191 ? 0.4958 0.4916 0.3065 -0.1295 0.0928 -0.0848 215 SER L N 3176 C CA . SER B 191 ? 0.4909 0.4822 0.2984 -0.1306 0.0832 -0.0830 215 SER L CA 3177 C C . SER B 191 ? 0.4650 0.4363 0.2982 -0.1496 0.0827 -0.0756 215 SER L C 3178 O O . SER B 191 ? 0.4749 0.4354 0.3169 -0.1571 0.0946 -0.0605 215 SER L O 3179 C CB . SER B 191 ? 0.5398 0.5341 0.3176 -0.1132 0.0927 -0.0638 215 SER L CB 3180 O OG . SER B 191 ? 0.6249 0.6172 0.3988 -0.1107 0.0834 -0.0619 215 SER L OG 3181 N N . TYR B 192 ? 0.4489 0.4174 0.2947 -0.1569 0.0696 -0.0874 216 TYR L N 3182 C CA . TYR B 192 ? 0.4489 0.4008 0.3135 -0.1707 0.0680 -0.0817 216 TYR L CA 3183 C C . TYR B 192 ? 0.4337 0.3860 0.2930 -0.1675 0.0608 -0.0806 216 TYR L C 3184 O O . TYR B 192 ? 0.4844 0.4525 0.3426 -0.1624 0.0509 -0.0948 216 TYR L O 3185 C CB . TYR B 192 ? 0.4253 0.3719 0.3112 -0.1803 0.0636 -0.0934 216 TYR L CB 3186 C CG . TYR B 192 ? 0.4913 0.4391 0.3833 -0.1807 0.0711 -0.0919 216 TYR L CG 3187 C CD1 . TYR B 192 ? 0.4678 0.4257 0.3522 -0.1721 0.0736 -0.1013 216 TYR L CD1 3188 C CD2 . TYR B 192 ? 0.4025 0.3459 0.3078 -0.1879 0.0755 -0.0827 216 TYR L CD2 3189 C CE1 . TYR B 192 ? 0.4948 0.4571 0.3853 -0.1701 0.0817 -0.0991 216 TYR L CE1 3190 C CE2 . TYR B 192 ? 0.4828 0.4353 0.3973 -0.1868 0.0818 -0.0822 216 TYR L CE2 3191 C CZ . TYR B 192 ? 0.4638 0.4252 0.3710 -0.1775 0.0857 -0.0889 216 TYR L CZ 3192 O OH . TYR B 192 ? 0.4759 0.4492 0.3932 -0.1745 0.0930 -0.0878 216 TYR L OH 3193 N N . THR B 193 ? 0.4817 0.4184 0.3406 -0.1708 0.0657 -0.0663 217 THR L N 3194 C CA . THR B 193 ? 0.4332 0.3689 0.2842 -0.1641 0.0615 -0.0620 217 THR L CA 3195 C C . THR B 193 ? 0.4200 0.3371 0.2845 -0.1749 0.0616 -0.0579 217 THR L C 3196 O O . THR B 193 ? 0.4736 0.3754 0.3451 -0.1839 0.0686 -0.0519 217 THR L O 3197 C CB . THR B 193 ? 0.4895 0.4207 0.3151 -0.1487 0.0715 -0.0451 217 THR L CB 3198 O OG1 . THR B 193 ? 0.4981 0.4513 0.3049 -0.1333 0.0704 -0.0492 217 THR L OG1 3199 C CG2 . THR B 193 ? 0.5123 0.4401 0.3283 -0.1383 0.0686 -0.0385 217 THR L CG2 3200 N N . CYS B 194 ? 0.4130 0.3351 0.2823 -0.1734 0.0539 -0.0628 218 CYS L N 3201 C CA A CYS B 194 ? 0.4445 0.3511 0.3196 -0.1777 0.0544 -0.0581 218 CYS L CA 3202 C CA B CYS B 194 ? 0.4392 0.3446 0.3132 -0.1776 0.0551 -0.0572 218 CYS L CA 3203 C C . CYS B 194 ? 0.5014 0.4084 0.3615 -0.1636 0.0548 -0.0502 218 CYS L C 3204 O O . CYS B 194 ? 0.4933 0.4247 0.3512 -0.1535 0.0476 -0.0563 218 CYS L O 3205 C CB A CYS B 194 ? 0.4605 0.3736 0.3542 -0.1852 0.0487 -0.0683 218 CYS L CB 3206 C CB B CYS B 194 ? 0.4797 0.3871 0.3719 -0.1862 0.0503 -0.0657 218 CYS L CB 3207 S SG A CYS B 194 ? 0.4867 0.3912 0.3855 -0.1850 0.0486 -0.0648 218 CYS L SG 3208 S SG B CYS B 194 ? 0.4572 0.3877 0.3626 -0.1840 0.0434 -0.0772 218 CYS L SG 3209 N N . GLU B 195 ? 0.4613 0.3432 0.3122 -0.1617 0.0633 -0.0385 219 GLU L N 3210 C CA . GLU B 195 ? 0.4709 0.3457 0.3044 -0.1448 0.0670 -0.0279 219 GLU L CA 3211 C C . GLU B 195 ? 0.5146 0.3729 0.3537 -0.1477 0.0671 -0.0285 219 GLU L C 3212 O O . GLU B 195 ? 0.5492 0.3848 0.3946 -0.1599 0.0715 -0.0300 219 GLU L O 3213 C CB . GLU B 195 ? 0.5039 0.3544 0.3185 -0.1369 0.0825 -0.0114 219 GLU L CB 3214 C CG . GLU B 195 ? 0.7355 0.6014 0.5376 -0.1287 0.0859 -0.0071 219 GLU L CG 3215 C CD . GLU B 195 ? 0.8288 0.6684 0.6091 -0.1164 0.1062 0.0145 219 GLU L CD 3216 O OE1 . GLU B 195 ? 0.8257 0.6322 0.6017 -0.1144 0.1176 0.0253 219 GLU L OE1 3217 O OE2 . GLU B 195 ? 0.9151 0.7647 0.6818 -0.1079 0.1128 0.0211 219 GLU L OE2 3218 N N . ALA B 196 ? 0.4965 0.3698 0.3335 -0.1350 0.0618 -0.0291 220 ALA L N 3219 C CA . ALA B 196 ? 0.5432 0.4051 0.3834 -0.1340 0.0624 -0.0298 220 ALA L CA 3220 C C . ALA B 196 ? 0.5939 0.4371 0.4139 -0.1145 0.0702 -0.0175 220 ALA L C 3221 O O . ALA B 196 ? 0.5912 0.4535 0.3999 -0.0952 0.0685 -0.0113 220 ALA L O 3222 C CB . ALA B 196 ? 0.5415 0.4358 0.3994 -0.1342 0.0538 -0.0392 220 ALA L CB 3223 N N . THR B 197 ? 0.5543 0.3615 0.3693 -0.1175 0.0784 -0.0154 221 THR L N 3224 C CA . THR B 197 ? 0.5574 0.3383 0.3537 -0.0986 0.0885 -0.0044 221 THR L CA 3225 C C . THR B 197 ? 0.5921 0.3730 0.3915 -0.0939 0.0854 -0.0111 221 THR L C 3226 O O . THR B 197 ? 0.5746 0.3473 0.3835 -0.1087 0.0829 -0.0224 221 THR L O 3227 C CB . THR B 197 ? 0.6086 0.3413 0.3975 -0.1056 0.1044 0.0019 221 THR L CB 3228 O OG1 . THR B 197 ? 0.7009 0.4337 0.4798 -0.1002 0.1124 0.0152 221 THR L OG1 3229 C CG2 . THR B 197 ? 0.7602 0.4537 0.5334 -0.0902 0.1169 0.0090 221 THR L CG2 3230 N N . HIS B 198 ? 0.6010 0.3960 0.3915 -0.0707 0.0853 -0.0044 222 HIS L N 3231 C CA . HIS B 198 ? 0.5946 0.3994 0.3894 -0.0626 0.0832 -0.0094 222 HIS L CA 3232 C C . HIS B 198 ? 0.7164 0.5150 0.4926 -0.0324 0.0900 0.0026 222 HIS L C 3233 O O . HIS B 198 ? 0.6681 0.4770 0.4325 -0.0154 0.0910 0.0138 222 HIS L O 3234 C CB . HIS B 198 ? 0.5579 0.4135 0.3770 -0.0694 0.0721 -0.0181 222 HIS L CB 3235 C CG . HIS B 198 ? 0.5541 0.4217 0.3811 -0.0637 0.0733 -0.0220 222 HIS L CG 3236 N ND1 . HIS B 198 ? 0.5463 0.4509 0.3825 -0.0462 0.0718 -0.0201 222 HIS L ND1 3237 C CD2 . HIS B 198 ? 0.5607 0.4128 0.3880 -0.0714 0.0764 -0.0278 222 HIS L CD2 3238 C CE1 . HIS B 198 ? 0.5345 0.4430 0.3772 -0.0446 0.0763 -0.0229 222 HIS L CE1 3239 N NE2 . HIS B 198 ? 0.5407 0.4166 0.3752 -0.0583 0.0791 -0.0271 222 HIS L NE2 3240 N N . LYS B 199 ? 0.7015 0.5718 0.4542 0.0078 0.1126 0.0651 223 LYS L N 3241 C CA . LYS B 199 ? 0.7095 0.5572 0.4501 0.0296 0.1307 0.0814 223 LYS L CA 3242 C C . LYS B 199 ? 0.7185 0.6097 0.4650 0.0454 0.1308 0.1095 223 LYS L C 3243 O O . LYS B 199 ? 0.7276 0.6054 0.4613 0.0685 0.1442 0.1268 223 LYS L O 3244 C CB . LYS B 199 ? 0.7910 0.6159 0.5121 0.0499 0.1380 0.0722 223 LYS L CB 3245 C CG . LYS B 199 ? 0.7113 0.5752 0.4295 0.0672 0.1369 0.0872 223 LYS L CG 3246 C CD . LYS B 199 ? 0.9120 0.7532 0.6080 0.0968 0.1527 0.0908 223 LYS L CD 3247 C CE . LYS B 199 ? 0.9704 0.8082 0.6689 0.1158 0.1672 0.1139 223 LYS L CE 3248 N NZ . LYS B 199 ? 1.1303 0.9524 0.8101 0.1477 0.1842 0.1205 223 LYS L NZ 3249 N N . THR B 200 ? 0.6353 0.5790 0.4036 0.0358 0.1171 0.1115 224 THR L N 3250 C CA . THR B 200 ? 0.6075 0.6061 0.3957 0.0495 0.1133 0.1265 224 THR L CA 3251 C C . THR B 200 ? 0.6948 0.7042 0.4766 0.0547 0.1074 0.1345 224 THR L C 3252 O O . THR B 200 ? 0.6737 0.7223 0.4586 0.0804 0.1037 0.1459 224 THR L O 3253 C CB . THR B 200 ? 0.5443 0.5922 0.3693 0.0330 0.1059 0.1199 224 THR L CB 3254 O OG1 . THR B 200 ? 0.5322 0.5695 0.3590 0.0057 0.0971 0.1073 224 THR L OG1 3255 C CG2 . THR B 200 ? 0.5670 0.6087 0.3926 0.0430 0.1209 0.1222 224 THR L CG2 3256 N N . SER B 201 ? 0.5729 0.5522 0.3443 0.0356 0.1069 0.1282 225 SER L N 3257 C CA . SER B 201 ? 0.5897 0.5750 0.3456 0.0457 0.1061 0.1389 225 SER L CA 3258 C C . SER B 201 ? 0.7200 0.6332 0.4495 0.0450 0.1305 0.1450 225 SER L C 3259 O O . SER B 201 ? 0.7160 0.5906 0.4565 0.0199 0.1375 0.1279 225 SER L O 3260 C CB . SER B 201 ? 0.6038 0.6318 0.3802 0.0231 0.0865 0.1259 225 SER L CB 3261 O OG . SER B 201 ? 0.7630 0.7949 0.5138 0.0392 0.0863 0.1357 225 SER L OG 3262 N N . THR B 202 ? 0.7994 0.6963 0.4963 0.0755 0.1457 0.1679 226 THR L N 3263 C CA . THR B 202 ? 0.8845 0.7056 0.5610 0.0749 0.1804 0.1774 226 THR L CA 3264 C C . THR B 202 ? 0.7963 0.6145 0.4854 0.0444 0.1792 0.1657 226 THR L C 3265 O O . THR B 202 ? 0.8213 0.5844 0.5234 0.0228 0.2047 0.1572 226 THR L O 3266 C CB . THR B 202 ? 1.0920 0.8892 0.7192 0.1255 0.2041 0.2123 226 THR L CB 3267 O OG1 . THR B 202 ? 1.0680 0.8876 0.6877 0.1579 0.1979 0.2218 226 THR L OG1 3268 C CG2 . THR B 202 ? 1.1492 0.8497 0.7605 0.1260 0.2549 0.2252 226 THR L CG2 3269 N N . SER B 203 ? 0.7971 0.6724 0.4889 0.0416 0.1529 0.1616 227 SER L N 3270 C CA . SER B 203 ? 0.7501 0.6384 0.4494 0.0196 0.1460 0.1517 227 SER L CA 3271 C C . SER B 203 ? 0.5925 0.5088 0.3349 -0.0193 0.1224 0.1229 227 SER L C 3272 O O . SER B 203 ? 0.5945 0.5478 0.3541 -0.0209 0.1028 0.1148 227 SER L O 3273 C CB . SER B 203 ? 0.7781 0.7209 0.4518 0.0462 0.1267 0.1597 227 SER L CB 3274 O OG . SER B 203 ? 0.9454 0.8759 0.5712 0.0961 0.1417 0.1876 227 SER L OG 3275 N N . PRO B 204 ? 0.6097 0.5090 0.3699 -0.0472 0.1271 0.1086 228 PRO L N 3276 C CA . PRO B 204 ? 0.5378 0.4659 0.3299 -0.0748 0.1044 0.0846 228 PRO L CA 3277 C C . PRO B 204 ? 0.6125 0.5949 0.4081 -0.0753 0.0816 0.0822 228 PRO L C 3278 O O . PRO B 204 ? 0.5568 0.5569 0.3333 -0.0618 0.0799 0.0903 228 PRO L O 3279 C CB . PRO B 204 ? 0.5602 0.4612 0.3711 -0.0981 0.1169 0.0704 228 PRO L CB 3280 C CG . PRO B 204 ? 0.6799 0.5284 0.4771 -0.0878 0.1534 0.0858 228 PRO L CG 3281 C CD . PRO B 204 ? 0.6715 0.5246 0.4250 -0.0517 0.1575 0.1150 228 PRO L CD 3282 N N . ILE B 205 ? 0.5640 0.5704 0.3832 -0.0885 0.0667 0.0692 229 ILE L N 3283 C CA . ILE B 205 ? 0.5133 0.5621 0.3505 -0.0983 0.0516 0.0600 229 ILE L CA 3284 C C . ILE B 205 ? 0.4709 0.5095 0.3145 -0.1182 0.0510 0.0484 229 ILE L C 3285 O O . ILE B 205 ? 0.5204 0.5364 0.3713 -0.1284 0.0540 0.0405 229 ILE L O 3286 C CB . ILE B 205 ? 0.5220 0.5891 0.3826 -0.1019 0.0480 0.0557 229 ILE L CB 3287 C CG1 . ILE B 205 ? 0.5320 0.6194 0.3943 -0.0815 0.0494 0.0657 229 ILE L CG1 3288 C CG2 . ILE B 205 ? 0.4861 0.5840 0.3751 -0.1180 0.0415 0.0427 229 ILE L CG2 3289 C CD1 . ILE B 205 ? 0.6416 0.7388 0.5269 -0.0827 0.0557 0.0654 229 ILE L CD1 3290 N N . VAL B 206 ? 0.4563 0.5151 0.2961 -0.1198 0.0458 0.0444 230 VAL L N 3291 C CA . VAL B 206 ? 0.4551 0.5027 0.2971 -0.1347 0.0488 0.0356 230 VAL L CA 3292 C C . VAL B 206 ? 0.5614 0.6395 0.4227 -0.1467 0.0367 0.0200 230 VAL L C 3293 O O . VAL B 206 ? 0.5794 0.6919 0.4415 -0.1401 0.0265 0.0130 230 VAL L O 3294 C CB . VAL B 206 ? 0.6028 0.6343 0.4156 -0.1229 0.0622 0.0459 230 VAL L CB 3295 C CG1 . VAL B 206 ? 0.6007 0.6249 0.4200 -0.1380 0.0676 0.0360 230 VAL L CG1 3296 C CG2 . VAL B 206 ? 0.6311 0.6205 0.4329 -0.1142 0.0843 0.0608 230 VAL L CG2 3297 N N . LYS B 207 ? 0.4463 0.5129 0.3246 -0.1615 0.0383 0.0116 231 LYS L N 3298 C CA . LYS B 207 ? 0.4156 0.4962 0.3133 -0.1739 0.0353 -0.0024 231 LYS L CA 3299 C C . LYS B 207 ? 0.4366 0.5015 0.3298 -0.1811 0.0393 -0.0083 231 LYS L C 3300 O O . LYS B 207 ? 0.4378 0.4835 0.3304 -0.1806 0.0436 -0.0057 231 LYS L O 3301 C CB . LYS B 207 ? 0.4404 0.5147 0.3582 -0.1772 0.0414 -0.0013 231 LYS L CB 3302 C CG . LYS B 207 ? 0.5838 0.6849 0.5324 -0.1833 0.0434 -0.0095 231 LYS L CG 3303 C CD . LYS B 207 ? 0.6041 0.7369 0.5524 -0.1723 0.0334 -0.0079 231 LYS L CD 3304 C CE . LYS B 207 ? 0.6386 0.8130 0.6339 -0.1809 0.0323 -0.0268 231 LYS L CE 3305 N NZ . LYS B 207 ? 0.7263 0.9420 0.7243 -0.1639 0.0194 -0.0273 231 LYS L NZ 3306 N N . SER B 208 ? 0.4079 0.4853 0.3015 -0.1866 0.0371 -0.0206 232 SER L N 3307 C CA A SER B 208 ? 0.4296 0.4937 0.3168 -0.1904 0.0436 -0.0249 232 SER L CA 3308 C CA B SER B 208 ? 0.4299 0.4940 0.3172 -0.1904 0.0436 -0.0249 232 SER L CA 3309 C C . SER B 208 ? 0.4158 0.4882 0.3134 -0.1992 0.0423 -0.0430 232 SER L C 3310 O O . SER B 208 ? 0.4628 0.5565 0.3728 -0.2032 0.0353 -0.0569 232 SER L O 3311 C CB A SER B 208 ? 0.4777 0.5371 0.3371 -0.1798 0.0509 -0.0161 232 SER L CB 3312 C CB B SER B 208 ? 0.4787 0.5384 0.3382 -0.1800 0.0508 -0.0164 232 SER L CB 3313 O OG A SER B 208 ? 0.6108 0.6562 0.4711 -0.1842 0.0636 -0.0187 232 SER L OG 3314 O OG B SER B 208 ? 0.5307 0.6147 0.3686 -0.1682 0.0417 -0.0216 232 SER L OG 3315 N N . PHE B 209 ? 0.4215 0.4789 0.3205 -0.2025 0.0501 -0.0469 233 PHE L N 3316 C CA . PHE B 209 ? 0.4484 0.5074 0.3511 -0.2087 0.0523 -0.0649 233 PHE L CA 3317 C C . PHE B 209 ? 0.4622 0.5118 0.3518 -0.2048 0.0616 -0.0642 233 PHE L C 3318 O O . PHE B 209 ? 0.4193 0.4611 0.3118 -0.2016 0.0684 -0.0528 233 PHE L O 3319 C CB . PHE B 209 ? 0.4167 0.4595 0.3448 -0.2163 0.0603 -0.0710 233 PHE L CB 3320 C CG . PHE B 209 ? 0.4271 0.4488 0.3559 -0.2075 0.0681 -0.0595 233 PHE L CG 3321 C CD1 . PHE B 209 ? 0.4184 0.4313 0.3465 -0.2045 0.0751 -0.0658 233 PHE L CD1 3322 C CD2 . PHE B 209 ? 0.4316 0.4471 0.3603 -0.1976 0.0667 -0.0453 233 PHE L CD2 3323 C CE1 . PHE B 209 ? 0.4259 0.4308 0.3574 -0.1905 0.0778 -0.0593 233 PHE L CE1 3324 C CE2 . PHE B 209 ? 0.4412 0.4479 0.3674 -0.1820 0.0677 -0.0408 233 PHE L CE2 3325 C CZ . PHE B 209 ? 0.4620 0.4667 0.3919 -0.1779 0.0720 -0.0484 233 PHE L CZ 3326 N N . ASN B 210 ? 0.4288 0.4815 0.3089 -0.2054 0.0635 -0.0807 234 ASN L N 3327 C CA . ASN B 210 ? 0.4430 0.4858 0.3135 -0.2012 0.0768 -0.0818 234 ASN L CA 3328 C C . ASN B 210 ? 0.4465 0.4765 0.3352 -0.2070 0.0819 -0.0964 234 ASN L C 3329 O O . ASN B 210 ? 0.4596 0.4899 0.3559 -0.2144 0.0779 -0.1146 234 ASN L O 3330 C CB . ASN B 210 ? 0.4791 0.5311 0.3094 -0.1884 0.0787 -0.0868 234 ASN L CB 3331 C CG . ASN B 210 ? 0.5282 0.5669 0.3467 -0.1817 0.0997 -0.0839 234 ASN L CG 3332 O OD1 . ASN B 210 ? 0.5031 0.5351 0.3341 -0.1861 0.1046 -0.0974 234 ASN L OD1 3333 N ND2 . ASN B 210 ? 0.5594 0.5905 0.3549 -0.1695 0.1176 -0.0651 234 ASN L ND2 3334 N N . ARG B 211 ? 0.4423 0.4621 0.3429 -0.2027 0.0929 -0.0910 235 ARG L N 3335 C CA . ARG B 211 ? 0.4543 0.4568 0.3666 -0.2010 0.1015 -0.1007 235 ARG L CA 3336 C C . ARG B 211 ? 0.4852 0.4818 0.3845 -0.2052 0.1059 -0.1233 235 ARG L C 3337 O O . ARG B 211 ? 0.5026 0.4783 0.4145 -0.2094 0.1139 -0.1363 235 ARG L O 3338 C CB . ARG B 211 ? 0.4510 0.4553 0.3766 -0.1898 0.1105 -0.0956 235 ARG L CB 3339 C CG . ARG B 211 ? 0.4642 0.4805 0.4101 -0.1818 0.1024 -0.0848 235 ARG L CG 3340 C CD . ARG B 211 ? 0.4338 0.4609 0.4016 -0.1663 0.1075 -0.0895 235 ARG L CD 3341 N NE . ARG B 211 ? 0.5077 0.5447 0.4843 -0.1702 0.1219 -0.0964 235 ARG L NE 3342 C CZ . ARG B 211 ? 0.5873 0.6133 0.5573 -0.1641 0.1352 -0.1035 235 ARG L CZ 3343 N NH1 . ARG B 211 ? 0.6287 0.6632 0.6040 -0.1654 0.1521 -0.1076 235 ARG L NH1 3344 N NH2 . ARG B 211 ? 0.6271 0.6284 0.5852 -0.1555 0.1369 -0.1057 235 ARG L NH2 3345 N N . ASN B 212 ? 0.5017 0.5128 0.3731 -0.2010 0.1038 -0.1291 236 ASN L N 3346 C CA . ASN B 212 ? 0.5399 0.5494 0.3906 -0.1980 0.1066 -0.1546 236 ASN L CA 3347 C C . ASN B 212 ? 0.6725 0.7058 0.5046 -0.1982 0.0876 -0.1779 236 ASN L C 3348 O O . ASN B 212 ? 0.6471 0.6848 0.4648 -0.1953 0.0846 -0.2092 236 ASN L O 3349 C CB . ASN B 212 ? 0.5880 0.5964 0.4118 -0.1829 0.1227 -0.1461 236 ASN L CB 3350 C CG . ASN B 212 ? 0.6154 0.6114 0.4676 -0.1812 0.1399 -0.1354 236 ASN L CG 3351 O OD1 . ASN B 212 ? 0.6115 0.5913 0.4825 -0.1828 0.1435 -0.1446 236 ASN L OD1 3352 N ND2 . ASN B 212 ? 0.6146 0.6187 0.4740 -0.1759 0.1531 -0.1174 236 ASN L ND2 3353 N N . GLU B 213 ? 0.5422 0.5957 0.3747 -0.1986 0.0731 -0.1678 237 GLU L N 3354 C CA . GLU B 213 ? 0.6054 0.6939 0.4146 -0.1887 0.0518 -0.1890 237 GLU L CA 3355 C C . GLU B 213 ? 0.5419 0.6509 0.3900 -0.2029 0.0365 -0.1965 237 GLU L C 3356 O O . GLU B 213 ? 0.5536 0.6474 0.4269 -0.2127 0.0437 -0.1715 237 GLU L O 3357 C CB . GLU B 213 ? 0.6834 0.7798 0.4373 -0.1611 0.0538 -0.1640 237 GLU L CB 3358 C CG . GLU B 213 ? 1.0601 1.1561 0.7582 -0.1357 0.0614 -0.1727 237 GLU L CG 3359 C CD . GLU B 213 ? 1.2144 1.3015 0.8586 -0.1064 0.0780 -0.1369 237 GLU L CD 3360 O OE1 . GLU B 213 ? 1.2147 1.2729 0.8747 -0.1137 0.1051 -0.1055 237 GLU L OE1 3361 O OE2 . GLU B 213 ? 1.3702 1.4797 0.9589 -0.0740 0.0657 -0.1418 237 GLU L OE2 3362 N N . CYS B 214 ? 0.6031 0.7518 0.4574 -0.2014 0.0148 -0.2341 238 CYS L N 3363 C CA . CYS B 214 ? 0.6799 0.8615 0.5743 -0.2112 -0.0006 -0.2449 238 CYS L CA 3364 C C . CYS B 214 ? 0.9407 1.1751 0.7967 -0.1816 -0.0284 -0.2552 238 CYS L C 3365 O O . CYS B 214 ? 1.0450 1.3246 0.9381 -0.1823 -0.0485 -0.2802 238 CYS L O 3366 C CB . CYS B 214 ? 0.5699 0.7558 0.5346 -0.2345 0.0023 -0.2827 238 CYS L CB 3367 S SG . CYS B 214 ? 0.6996 0.8234 0.7139 -0.2598 0.0397 -0.2581 238 CYS L SG 3368 O OXT . CYS B 214 ? 1.0502 1.2810 0.8392 -0.1507 -0.0279 -0.2354 238 CYS L OXT 3369 C C1 . NAG C . ? 0.6334 0.3825 0.4583 0.0190 -0.0969 -0.0398 501 NAG H C1 3370 C C2 . NAG C . ? 0.6631 0.4223 0.4915 0.0249 -0.1090 -0.0414 501 NAG H C2 3371 C C3 . NAG C . ? 0.6318 0.3654 0.4455 0.0136 -0.1135 -0.0344 501 NAG H C3 3372 C C4 . NAG C . ? 0.5820 0.2857 0.3839 0.0019 -0.1099 -0.0356 501 NAG H C4 3373 C C5 . NAG C . ? 0.5692 0.2682 0.3672 -0.0009 -0.0981 -0.0361 501 NAG H C5 3374 C C6 . NAG C . ? 0.5883 0.2770 0.3808 -0.0086 -0.0916 -0.0341 501 NAG H C6 3375 C C7 . NAG C . ? 0.7503 0.5829 0.6034 0.0534 -0.1132 -0.0450 501 NAG H C7 3376 C C8 . NAG C . ? 0.6764 0.5557 0.5399 0.0668 -0.1141 -0.0343 501 NAG H C8 3377 N N2 . NAG C . ? 0.6204 0.4174 0.4598 0.0374 -0.1109 -0.0364 501 NAG H N2 3378 O O3 . NAG C . ? 0.6718 0.4135 0.4903 0.0193 -0.1246 -0.0366 501 NAG H O3 3379 O O4 . NAG C . ? 0.6252 0.3145 0.4129 -0.0073 -0.1118 -0.0280 501 NAG H O4 3380 O O5 . NAG C . ? 0.6288 0.3487 0.4424 0.0086 -0.0946 -0.0419 501 NAG H O5 3381 O O6 . NAG C . ? 0.6126 0.3037 0.4194 -0.0074 -0.0965 -0.0361 501 NAG H O6 3382 O O7 . NAG C . ? 0.7120 0.5427 0.5711 0.0575 -0.1154 -0.0600 501 NAG H O7 3383 C C1 . NAG D . ? 0.6459 0.3321 0.4355 -0.0096 -0.1191 -0.0256 502 NAG H C1 3384 C C2 . NAG D . ? 0.6279 0.3010 0.3995 -0.0198 -0.1179 -0.0180 502 NAG H C2 3385 C C3 . NAG D . ? 0.6356 0.3027 0.4070 -0.0234 -0.1266 -0.0128 502 NAG H C3 3386 C C4 . NAG D . ? 0.6584 0.3334 0.4399 -0.0161 -0.1372 -0.0143 502 NAG H C4 3387 C C5 . NAG D . ? 0.7070 0.3960 0.5057 -0.0039 -0.1389 -0.0250 502 NAG H C5 3388 C C6 . NAG D . ? 0.7388 0.4474 0.5456 0.0077 -0.1482 -0.0273 502 NAG H C6 3389 C C7 . NAG D . ? 0.6876 0.3502 0.4398 -0.0256 -0.1025 -0.0213 502 NAG H C7 3390 C C8 . NAG D . ? 0.6923 0.3441 0.4295 -0.0288 -0.0949 -0.0242 502 NAG H C8 3391 N N2 . NAG D . ? 0.6759 0.3407 0.4369 -0.0248 -0.1088 -0.0186 502 NAG H N2 3392 O O3 . NAG D . ? 0.7063 0.3615 0.4571 -0.0321 -0.1274 -0.0071 502 NAG H O3 3393 O O4 . NAG D . ? 0.6634 0.3337 0.4512 -0.0183 -0.1452 -0.0103 502 NAG H O4 3394 O O5 . NAG D . ? 0.7001 0.3943 0.4955 -0.0021 -0.1302 -0.0274 502 NAG H O5 3395 O O6 . NAG D . ? 0.9978 0.7285 0.8221 0.0223 -0.1504 -0.0398 502 NAG H O6 3396 O O7 . NAG D . ? 0.7490 0.4158 0.5057 -0.0236 -0.1047 -0.0211 502 NAG H O7 3397 C C1 . BMA E . ? 0.6883 0.3524 0.4627 -0.0230 -0.1516 -0.0028 503 BMA H C1 3398 C C2 . BMA E . ? 0.7348 0.3996 0.5241 -0.0191 -0.1628 -0.0018 503 BMA H C2 3399 C C3 . BMA E . ? 0.7767 0.4370 0.5529 -0.0250 -0.1688 0.0087 503 BMA H C3 3400 C C4 . BMA E . ? 0.8228 0.4709 0.5781 -0.0382 -0.1637 0.0171 503 BMA H C4 3401 C C5 . BMA E . ? 0.7589 0.4055 0.5012 -0.0396 -0.1548 0.0112 503 BMA H C5 3402 C C6 . BMA E . ? 0.7551 0.3933 0.4758 -0.0488 -0.1508 0.0140 503 BMA H C6 3403 O O2 . BMA E . ? 0.6732 0.3345 0.4773 -0.0234 -0.1623 0.0015 503 BMA H O2 3404 O O3 . BMA E . ? 0.7813 0.4418 0.5727 -0.0221 -0.1786 0.0114 503 BMA H O3 3405 O O4 . BMA E . ? 0.8870 0.5350 0.6307 -0.0429 -0.1694 0.0255 503 BMA H O4 3406 O O5 . BMA E . ? 0.7239 0.3764 0.4796 -0.0340 -0.1477 0.0041 503 BMA H O5 3407 O O6 . BMA E . ? 0.7915 0.4281 0.5064 -0.0473 -0.1440 0.0053 503 BMA H O6 3408 C C1 . MAN F . ? 0.8212 0.4973 0.6161 -0.0120 -0.1857 0.0098 504 MAN H C1 3409 C C2 . MAN F . ? 0.9443 0.6180 0.7537 -0.0098 -0.1966 0.0134 504 MAN H C2 3410 C C3 . MAN F . ? 0.8750 0.5474 0.7142 -0.0006 -0.2034 0.0006 504 MAN H C3 3411 C C4 . MAN F . ? 0.9202 0.6144 0.7669 0.0172 -0.2047 -0.0172 504 MAN H C4 3412 C C5 . MAN F . ? 0.8728 0.5713 0.7027 0.0135 -0.1918 -0.0170 504 MAN H C5 3413 C C6 . MAN F . ? 0.8084 0.5366 0.6449 0.0312 -0.1917 -0.0298 504 MAN H C6 3414 O O2 . MAN F . ? 1.0875 0.7795 0.8976 0.0009 -0.2030 0.0132 504 MAN H O2 3415 O O3 . MAN F . ? 0.8494 0.5181 0.7087 0.0024 -0.2156 0.0028 504 MAN H O3 3416 O O4 . MAN F . ? 0.8962 0.5894 0.7728 0.0270 -0.2137 -0.0335 504 MAN H O4 3417 O O5 . MAN F . ? 0.8659 0.5613 0.6716 0.0027 -0.1857 -0.0023 504 MAN H O5 3418 O O6 . MAN F . ? 0.8097 0.5379 0.6373 0.0265 -0.1801 -0.0292 504 MAN H O6 3419 C C1 . NAG G . ? 1.1388 0.8339 0.9354 -0.0106 -0.1970 0.0257 505 NAG H C1 3420 C C2 . NAG G . ? 1.1136 0.8385 0.9148 -0.0028 -0.1903 0.0262 505 NAG H C2 3421 C C3 . NAG G . ? 1.1673 0.8970 0.9633 -0.0151 -0.1841 0.0377 505 NAG H C3 3422 C C4 . NAG G . ? 1.3062 1.0289 1.1037 -0.0209 -0.1887 0.0431 505 NAG H C4 3423 C C5 . NAG G . ? 1.2560 0.9546 1.0500 -0.0270 -0.1944 0.0423 505 NAG H C5 3424 C C6 . NAG G . ? 1.2331 0.9303 1.0368 -0.0311 -0.1998 0.0501 505 NAG H C6 3425 C C7 . NAG G . ? 1.0109 0.7646 0.8210 0.0182 -0.1865 0.0122 505 NAG H C7 3426 C C8 . NAG G . ? 0.9219 0.6859 0.7300 0.0200 -0.1796 0.0119 505 NAG H C8 3427 N N2 . NAG G . ? 1.0686 0.8021 0.8678 0.0017 -0.1848 0.0221 505 NAG H N2 3428 O O3 . NAG G . ? 1.0589 0.8203 0.8662 -0.0073 -0.1791 0.0424 505 NAG H O3 3429 O O4 . NAG G . ? 1.5446 1.2695 1.3350 -0.0333 -0.1838 0.0514 505 NAG H O4 3430 O O5 . NAG G . ? 1.1929 0.8850 0.9969 -0.0151 -0.2018 0.0325 505 NAG H O5 3431 O O6 . NAG G . ? 1.2074 0.8924 1.0101 -0.0412 -0.1995 0.0567 505 NAG H O6 3432 O O7 . NAG G . ? 1.0167 0.7818 0.8395 0.0320 -0.1941 0.0026 505 NAG H O7 3433 C C1 . GAL H . ? 1.7335 1.4819 1.5351 -0.0289 -0.1819 0.0577 506 GAL H C1 3434 C C2 . GAL H . ? 1.8068 1.5513 1.6013 -0.0429 -0.1807 0.0653 506 GAL H C2 3435 C C3 . GAL H . ? 1.8559 1.6246 1.6622 -0.0397 -0.1785 0.0733 506 GAL H C3 3436 C C4 . GAL H . ? 1.8574 1.6470 1.6738 -0.0327 -0.1746 0.0757 506 GAL H C4 3437 C C5 . GAL H . ? 1.8228 1.6219 1.6442 -0.0179 -0.1737 0.0691 506 GAL H C5 3438 C C6 . GAL H . ? 1.7655 1.5908 1.5979 -0.0105 -0.1688 0.0738 506 GAL H C6 3439 O O2 . GAL H . ? 1.7656 1.4977 1.5550 -0.0494 -0.1841 0.0678 506 GAL H O2 3440 O O3 . GAL H . ? 1.8665 1.6309 1.6667 -0.0521 -0.1793 0.0789 506 GAL H O3 3441 O O4 . GAL H . ? 1.8841 1.6600 1.6939 -0.0435 -0.1760 0.0753 506 GAL H O4 3442 O O5 . GAL H . ? 1.8246 1.5959 1.6345 -0.0214 -0.1771 0.0593 506 GAL H O5 3443 O O6 . GAL H . ? 1.7423 1.5824 1.5789 0.0047 -0.1682 0.0670 506 GAL H O6 3444 C C1 . MAN I . ? 0.7909 0.4217 0.4844 -0.0528 -0.1429 0.0027 507 MAN H C1 3445 C C2 . MAN I . ? 0.9147 0.5488 0.6134 -0.0486 -0.1378 -0.0054 507 MAN H C2 3446 C C3 . MAN I . ? 0.8735 0.5107 0.5797 -0.0438 -0.1274 -0.0104 507 MAN H C3 3447 C C4 . MAN I . ? 0.8516 0.4827 0.5415 -0.0472 -0.1230 -0.0106 507 MAN H C4 3448 C C5 . MAN I . ? 0.8336 0.4694 0.5281 -0.0507 -0.1278 0.0021 507 MAN H C5 3449 C C6 . MAN I . ? 0.8574 0.5025 0.5458 -0.0531 -0.1222 0.0109 507 MAN H C6 3450 O O2 . MAN I . ? 1.0445 0.6742 0.7271 -0.0510 -0.1383 -0.0126 507 MAN H O2 3451 O O3 . MAN I . ? 0.9265 0.5675 0.6397 -0.0402 -0.1223 -0.0169 507 MAN H O3 3452 O O4 . MAN I . ? 0.9267 0.5606 0.6271 -0.0432 -0.1144 -0.0129 507 MAN H O4 3453 O O5 . MAN I . ? 0.8249 0.4591 0.5099 -0.0546 -0.1366 0.0053 507 MAN H O5 3454 O O6 . MAN I . ? 0.9127 0.5626 0.5757 -0.0532 -0.1199 0.0053 507 MAN H O6 3455 C C1 . NAG J . ? 1.2950 0.9253 0.9824 -0.0531 -0.1473 -0.0104 508 NAG H C1 3456 C C2 . NAG J . ? 1.3641 0.9928 1.0341 -0.0548 -0.1503 -0.0199 508 NAG H C2 3457 C C3 . NAG J . ? 1.5094 1.1377 1.1878 -0.0577 -0.1616 -0.0182 508 NAG H C3 3458 C C4 . NAG J . ? 1.5430 1.1707 1.2484 -0.0558 -0.1651 -0.0160 508 NAG H C4 3459 C C5 . NAG J . ? 1.4824 1.1151 1.1992 -0.0537 -0.1609 -0.0055 508 NAG H C5 3460 C C6 . NAG J . ? 1.4477 1.0843 1.1902 -0.0517 -0.1641 -0.0018 508 NAG H C6 3461 C C7 . NAG J . ? 1.2127 0.8472 0.8394 -0.0558 -0.1433 -0.0229 508 NAG H C7 3462 C C8 . NAG J . ? 1.2030 0.8555 0.8164 -0.0575 -0.1407 -0.0106 508 NAG H C8 3463 N N2 . NAG J . ? 1.2687 0.9000 0.9135 -0.0581 -0.1499 -0.0177 508 NAG H N2 3464 O O3 . NAG J . ? 1.5842 1.2148 1.2502 -0.0569 -0.1652 -0.0313 508 NAG H O3 3465 O O4 . NAG J . ? 1.5960 1.2218 1.3111 -0.0599 -0.1782 -0.0110 508 NAG H O4 3466 O O5 . NAG J . ? 1.4153 1.0495 1.1247 -0.0501 -0.1490 -0.0100 508 NAG H O5 3467 O O6 . NAG J . ? 1.4188 1.0593 1.1680 -0.0464 -0.1532 -0.0067 508 NAG H O6 3468 O O7 . NAG J . ? 1.2197 0.8523 0.8509 -0.0507 -0.1361 -0.0323 508 NAG H O7 3469 C C1 . FUC K . ? 0.5831 0.2653 0.3886 -0.0124 -0.0900 -0.0339 509 FUC H C1 3470 C C2 . FUC K . ? 0.6432 0.3253 0.4709 -0.0129 -0.0987 -0.0331 509 FUC H C2 3471 C C3 . FUC K . ? 0.6175 0.3183 0.4695 -0.0020 -0.1043 -0.0453 509 FUC H C3 3472 C C4 . FUC K . ? 0.6559 0.3631 0.5064 0.0021 -0.0953 -0.0508 509 FUC H C4 3473 C C5 . FUC K . ? 0.6109 0.3153 0.4380 0.0012 -0.0859 -0.0476 509 FUC H C5 3474 C C6 . FUC K . ? 0.6363 0.3470 0.4627 0.0047 -0.0755 -0.0503 509 FUC H C6 3475 O O2 . FUC K . ? 0.6460 0.3227 0.4749 -0.0165 -0.1077 -0.0273 509 FUC H O2 3476 O O3 . FUC K . ? 0.6173 0.3185 0.4970 -0.0023 -0.1137 -0.0462 509 FUC H O3 3477 O O4 . FUC K . ? 0.6458 0.3422 0.5005 -0.0042 -0.0909 -0.0458 509 FUC H O4 3478 O O5 . FUC K . ? 0.6616 0.3493 0.4690 -0.0084 -0.0815 -0.0386 509 FUC H O5 # 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 ASN 1 15 15 ASN ASN H . n A 1 2 VAL 2 16 16 VAL VAL H . n A 1 3 ASN 3 17 17 ASN ASN H . n A 1 4 LEU 4 18 18 LEU LEU H . n A 1 5 LEU 5 19 19 LEU LEU H . n A 1 6 GLU 6 20 20 GLU GLU H . n A 1 7 SER 7 21 21 SER SER H . n A 1 8 GLY 8 22 22 GLY GLY H . n A 1 9 GLY 9 23 23 GLY GLY H . n A 1 10 GLY 10 24 24 GLY GLY H . n A 1 11 LEU 11 25 25 LEU LEU H . n A 1 12 VAL 12 26 26 VAL VAL H . n A 1 13 GLN 13 27 27 GLN GLN H . n A 1 14 PRO 14 28 28 PRO PRO H . n A 1 15 GLY 15 29 29 GLY GLY H . n A 1 16 GLY 16 30 30 GLY GLY H . n A 1 17 SER 17 31 31 SER SER H . n A 1 18 LEU 18 32 32 LEU LEU H . n A 1 19 ASN 19 33 33 ASN ASN H . n A 1 20 LEU 20 34 34 LEU LEU H . n A 1 21 SER 21 35 35 SER SER H . n A 1 22 CYS 22 36 36 CYS CYS H . n A 1 23 ALA 23 37 37 ALA ALA H . n A 1 24 ALA 24 38 38 ALA ALA H . n A 1 25 SER 25 39 39 SER SER H . n A 1 26 GLY 26 40 40 GLY GLY H . n A 1 27 PHE 27 41 41 PHE PHE H . n A 1 28 ASP 28 42 42 ASP ASP H . n A 1 29 PHE 29 43 43 PHE PHE H . n A 1 30 SER 30 44 44 SER SER H . n A 1 31 ARG 31 45 45 ARG ARG H . n A 1 32 TYR 32 46 46 TYR TYR H . n A 1 33 TRP 33 47 47 TRP TRP H . n A 1 34 MET 34 48 48 MET MET H . n A 1 35 SER 35 49 49 SER SER H . n A 1 36 TRP 36 50 50 TRP TRP H . n A 1 37 ALA 37 51 51 ALA ALA H . n A 1 38 ARG 38 52 52 ARG ARG H . n A 1 39 GLN 39 53 53 GLN GLN H . n A 1 40 ALA 40 54 54 ALA ALA H . n A 1 41 PRO 41 55 55 PRO PRO H . n A 1 42 GLY 42 56 56 GLY GLY H . n A 1 43 LYS 43 57 57 LYS LYS H . n A 1 44 GLY 44 58 58 GLY GLY H . n A 1 45 GLN 45 59 59 GLN GLN H . n A 1 46 GLU 46 60 60 GLU GLU H . n A 1 47 TRP 47 61 61 TRP TRP H . n A 1 48 ILE 48 62 62 ILE ILE H . n A 1 49 GLY 49 63 63 GLY GLY H . n A 1 50 GLU 50 64 64 GLU GLU H . n A 1 51 ILE 51 65 65 ILE ILE H . n A 1 52 ASN 52 66 66 ASN ASN H . n A 1 53 PRO 53 67 67 PRO PRO H . n A 1 54 GLY 54 68 68 GLY GLY H . n A 1 55 SER 55 69 69 SER SER H . n A 1 56 SER 56 70 70 SER SER H . n A 1 57 THR 57 71 71 THR THR H . n A 1 58 ILE 58 72 72 ILE ILE H . n A 1 59 LYS 59 73 73 LYS LYS H . n A 1 60 TYR 60 74 74 TYR TYR H . n A 1 61 THR 61 75 75 THR THR H . n A 1 62 PRO 62 76 76 PRO PRO H . n A 1 63 SER 63 77 77 SER SER H . n A 1 64 LEU 64 78 78 LEU LEU H . n A 1 65 LYS 65 79 79 LYS LYS H . n A 1 66 ASP 66 80 80 ASP ASP H . n A 1 67 LYS 67 81 81 LYS LYS H . n A 1 68 PHE 68 82 82 PHE PHE H . n A 1 69 ILE 69 83 83 ILE ILE H . n A 1 70 ILE 70 84 84 ILE ILE H . n A 1 71 SER 71 85 85 SER SER H . n A 1 72 ARG 72 86 86 ARG ARG H . n A 1 73 ASP 73 87 87 ASP ASP H . n A 1 74 ASN 74 88 88 ASN ASN H . n A 1 75 ALA 75 89 89 ALA ALA H . n A 1 76 LYS 76 90 90 LYS LYS H . n A 1 77 ASN 77 91 91 ASN ASN H . n A 1 78 THR 78 92 92 THR THR H . n A 1 79 LEU 79 93 93 LEU LEU H . n A 1 80 TYR 80 94 94 TYR TYR H . n A 1 81 LEU 81 95 95 LEU LEU H . n A 1 82 GLN 82 96 96 GLN GLN H . n A 1 83 MET 83 97 97 MET MET H . n A 1 84 SER 84 98 98 SER SER H . n A 1 85 LYS 85 99 99 LYS LYS H . n A 1 86 VAL 86 100 100 VAL VAL H . n A 1 87 SER 87 101 101 SER SER H . n A 1 88 SER 88 102 102 SER SER H . n A 1 89 GLU 89 103 103 GLU GLU H . n A 1 90 ASP 90 104 104 ASP ASP H . n A 1 91 THR 91 105 105 THR THR H . n A 1 92 ALA 92 106 106 ALA ALA H . n A 1 93 LEU 93 107 107 LEU LEU H . n A 1 94 TYR 94 108 108 TYR TYR H . n A 1 95 TYR 95 109 109 TYR TYR H . n A 1 96 CYS 96 110 110 CYS CYS H . n A 1 97 ALA 97 111 111 ALA ALA H . n A 1 98 ARG 98 112 112 ARG ARG H . n A 1 99 TYR 99 113 113 TYR TYR H . n A 1 100 GLY 100 114 114 GLY GLY H . n A 1 101 SER 101 115 115 SER SER H . n A 1 102 TYR 102 116 116 TYR TYR H . n A 1 103 VAL 103 117 117 VAL VAL H . n A 1 104 TYR 104 118 118 TYR TYR H . n A 1 105 ALA 105 119 119 ALA ALA H . n A 1 106 MET 106 120 120 MET MET H . n A 1 107 ASP 107 121 121 ASP ASP H . n A 1 108 TYR 108 122 122 TYR TYR H . n A 1 109 TRP 109 123 123 TRP TRP H . n A 1 110 GLY 110 124 124 GLY GLY H . n A 1 111 PRO 111 125 125 PRO PRO H . n A 1 112 GLY 112 126 126 GLY GLY H . n A 1 113 THR 113 127 127 THR THR H . n A 1 114 SER 114 128 128 SER SER H . n A 1 115 VAL 115 129 129 VAL VAL H . n A 1 116 THR 116 130 130 THR THR H . n A 1 117 VAL 117 131 131 VAL VAL H . n A 1 118 SER 118 132 132 SER SER H . n A 1 119 SER 119 133 133 SER SER H . n A 1 120 ALA 120 134 134 ALA ALA H . n A 1 121 LYS 121 135 135 LYS LYS H . n A 1 122 THR 122 136 136 THR THR H . n A 1 123 THR 123 137 137 THR THR H . n A 1 124 ALA 124 138 138 ALA ALA H . n A 1 125 PRO 125 139 139 PRO PRO H . n A 1 126 SER 126 140 140 SER SER H . n A 1 127 VAL 127 141 141 VAL VAL H . n A 1 128 TYR 128 142 142 TYR TYR H . n A 1 129 PRO 129 143 143 PRO PRO H . n A 1 130 LEU 130 144 144 LEU LEU H . n A 1 131 ALA 131 145 145 ALA ALA H . n A 1 132 PRO 132 146 146 PRO PRO H . n A 1 133 VAL 133 147 147 VAL VAL H . n A 1 134 CYS 134 148 148 CYS CYS H . n A 1 135 GLY 135 149 149 GLY GLY H . n A 1 136 ASP 136 150 150 ASP ASP H . n A 1 137 THR 137 151 151 THR THR H . n A 1 138 THR 138 152 152 THR THR H . n A 1 139 GLY 139 153 153 GLY GLY H . n A 1 140 SER 140 154 154 SER SER H . n A 1 141 SER 141 155 155 SER SER H . n A 1 142 VAL 142 156 156 VAL VAL H . n A 1 143 THR 143 157 157 THR THR H . n A 1 144 LEU 144 158 158 LEU LEU H . n A 1 145 GLY 145 159 159 GLY GLY H . n A 1 146 CYS 146 160 160 CYS CYS H . n A 1 147 LEU 147 161 161 LEU LEU H . n A 1 148 VAL 148 162 162 VAL VAL H . n A 1 149 LYS 149 163 163 LYS LYS H . n A 1 150 GLY 150 164 164 GLY GLY H . n A 1 151 TYR 151 165 165 TYR TYR H . n A 1 152 PHE 152 166 166 PHE PHE H . n A 1 153 PRO 153 167 167 PRO PRO H . n A 1 154 GLU 154 168 168 GLU GLU H . n A 1 155 PRO 155 169 169 PRO PRO H . n A 1 156 VAL 156 170 170 VAL VAL H . n A 1 157 THR 157 171 171 THR THR H . n A 1 158 LEU 158 172 172 LEU LEU H . n A 1 159 THR 159 173 173 THR THR H . n A 1 160 TRP 160 174 174 TRP TRP H . n A 1 161 ASN 161 175 175 ASN ASN H . n A 1 162 SER 162 176 176 SER SER H . n A 1 163 GLY 163 177 177 GLY GLY H . n A 1 164 SER 164 178 178 SER SER H . n A 1 165 LEU 165 179 179 LEU LEU H . n A 1 166 SER 166 180 180 SER SER H . n A 1 167 SER 167 181 181 SER SER H . n A 1 168 GLY 168 182 182 GLY GLY H . n A 1 169 VAL 169 183 183 VAL VAL H . n A 1 170 HIS 170 184 184 HIS HIS H . n A 1 171 THR 171 185 185 THR THR H . n A 1 172 PHE 172 186 186 PHE PHE H . n A 1 173 PRO 173 187 187 PRO PRO H . n A 1 174 ALA 174 188 188 ALA ALA H . n A 1 175 VAL 175 189 189 VAL VAL H . n A 1 176 LEU 176 190 190 LEU LEU H . n A 1 177 GLN 177 191 191 GLN GLN H . n A 1 178 SER 178 192 192 SER SER H . n A 1 179 ASP 179 193 193 ASP ASP H . n A 1 180 LEU 180 194 194 LEU LEU H . n A 1 181 TYR 181 195 195 TYR TYR H . n A 1 182 THR 182 196 196 THR THR H . n A 1 183 LEU 183 197 197 LEU LEU H . n A 1 184 SER 184 198 198 SER SER H . n A 1 185 SER 185 199 199 SER SER H . n A 1 186 SER 186 200 200 SER SER H . n A 1 187 VAL 187 201 201 VAL VAL H . n A 1 188 THR 188 202 202 THR THR H . n A 1 189 VAL 189 203 203 VAL VAL H . n A 1 190 THR 190 204 204 THR THR H . n A 1 191 SER 191 205 205 SER SER H . n A 1 192 SER 192 206 206 SER SER H . n A 1 193 THR 193 207 207 THR THR H . n A 1 194 TRP 194 208 208 TRP TRP H . n A 1 195 PRO 195 209 209 PRO PRO H . n A 1 196 SER 196 210 210 SER SER H . n A 1 197 GLN 197 211 211 GLN GLN H . n A 1 198 SER 198 212 212 SER SER H . n A 1 199 ILE 199 213 213 ILE ILE H . n A 1 200 THR 200 214 214 THR THR H . n A 1 201 CYS 201 215 215 CYS CYS H . n A 1 202 ASN 202 216 216 ASN ASN H . n A 1 203 VAL 203 217 217 VAL VAL H . n A 1 204 ALA 204 218 218 ALA ALA H . n A 1 205 HIS 205 219 219 HIS HIS H . n A 1 206 PRO 206 220 220 PRO PRO H . n A 1 207 ALA 207 221 221 ALA ALA H . n A 1 208 SER 208 222 222 SER SER H . n A 1 209 SER 209 223 223 SER SER H . n A 1 210 THR 210 224 224 THR THR H . n A 1 211 LYS 211 225 225 LYS LYS H . n A 1 212 VAL 212 226 226 VAL VAL H . n A 1 213 ASP 213 227 227 ASP ASP H . n A 1 214 LYS 214 228 228 LYS LYS H . n A 1 215 LYS 215 229 229 LYS LYS H . n A 1 216 ILE 216 230 230 ILE ILE H . n A 1 217 GLU 217 231 231 GLU GLU H . n A 1 218 PRO 218 232 232 PRO PRO H . n A 1 219 ARG 219 233 233 ARG ARG H . n A 1 220 GLY 220 234 234 GLY GLY H . n A 1 221 PRO 221 235 235 PRO PRO H . n A 1 222 THR 222 236 236 THR THR H . n B 2 1 SER 1 25 25 SER SER L . n B 2 2 ILE 2 26 26 ILE ILE L . n B 2 3 VAL 3 27 27 VAL VAL L . n B 2 4 MET 4 28 28 MET MET L . n B 2 5 THR 5 29 29 THR THR L . n B 2 6 GLN 6 30 30 GLN GLN L . n B 2 7 THR 7 31 31 THR THR L . n B 2 8 PRO 8 32 32 PRO PRO L . n B 2 9 LYS 9 33 33 LYS LYS L . n B 2 10 PHE 10 34 34 PHE PHE L . n B 2 11 LEU 11 35 35 LEU LEU L . n B 2 12 LEU 12 36 36 LEU LEU L . n B 2 13 VAL 13 37 37 VAL VAL L . n B 2 14 SER 14 38 38 SER SER L . n B 2 15 ALA 15 39 39 ALA ALA L . n B 2 16 GLY 16 40 40 GLY GLY L . n B 2 17 ASP 17 41 41 ASP ASP L . n B 2 18 ARG 18 42 42 ARG ARG L . n B 2 19 ILE 19 43 43 ILE ILE L . n B 2 20 THR 20 44 44 THR THR L . n B 2 21 ILE 21 45 45 ILE ILE L . n B 2 22 THR 22 46 46 THR THR L . n B 2 23 CYS 23 47 47 CYS CYS L . n B 2 24 LYS 24 48 48 LYS LYS L . n B 2 25 ALA 25 49 49 ALA ALA L . n B 2 26 SER 26 50 50 SER SER L . n B 2 27 GLN 27 51 51 GLN GLN L . n B 2 28 SER 28 52 52 SER SER L . n B 2 29 VAL 29 53 53 VAL VAL L . n B 2 30 ARG 30 54 54 ARG ARG L . n B 2 31 ASN 31 55 55 ASN ASN L . n B 2 32 ASP 32 56 56 ASP ASP L . n B 2 33 VAL 33 57 57 VAL VAL L . n B 2 34 ALA 34 58 58 ALA ALA L . n B 2 35 TRP 35 59 59 TRP TRP L . n B 2 36 TYR 36 60 60 TYR TYR L . n B 2 37 GLN 37 61 61 GLN GLN L . n B 2 38 GLN 38 62 62 GLN GLN L . n B 2 39 LYS 39 63 63 LYS LYS L . n B 2 40 PRO 40 64 64 PRO PRO L . n B 2 41 GLY 41 65 65 GLY GLY L . n B 2 42 GLN 42 66 66 GLN GLN L . n B 2 43 SER 43 67 67 SER SER L . n B 2 44 PRO 44 68 68 PRO PRO L . n B 2 45 LYS 45 69 69 LYS LYS L . n B 2 46 LEU 46 70 70 LEU LEU L . n B 2 47 LEU 47 71 71 LEU LEU L . n B 2 48 ILE 48 72 72 ILE ILE L . n B 2 49 TYR 49 73 73 TYR TYR L . n B 2 50 PHE 50 74 74 PHE PHE L . n B 2 51 ALA 51 75 75 ALA ALA L . n B 2 52 SER 52 76 76 SER SER L . n B 2 53 ASN 53 77 77 ASN ASN L . n B 2 54 ARG 54 78 78 ARG ARG L . n B 2 55 TYR 55 79 79 TYR TYR L . n B 2 56 THR 56 80 80 THR THR L . n B 2 57 GLY 57 81 81 GLY GLY L . n B 2 58 VAL 58 82 82 VAL VAL L . n B 2 59 PRO 59 83 83 PRO PRO L . n B 2 60 ASP 60 84 84 ASP ASP L . n B 2 61 ARG 61 85 85 ARG ARG L . n B 2 62 PHE 62 86 86 PHE PHE L . n B 2 63 THR 63 87 87 THR THR L . n B 2 64 GLY 64 88 88 GLY GLY L . n B 2 65 SER 65 89 89 SER SER L . n B 2 66 GLY 66 90 90 GLY GLY L . n B 2 67 SER 67 91 91 SER SER L . n B 2 68 GLY 68 92 92 GLY GLY L . n B 2 69 THR 69 93 93 THR THR L . n B 2 70 ASP 70 94 94 ASP ASP L . n B 2 71 PHE 71 95 95 PHE PHE L . n B 2 72 THR 72 96 96 THR THR L . n B 2 73 PHE 73 97 97 PHE PHE L . n B 2 74 THR 74 98 98 THR THR L . n B 2 75 ILE 75 99 99 ILE ILE L . n B 2 76 SER 76 100 100 SER SER L . n B 2 77 THR 77 101 101 THR THR L . n B 2 78 VAL 78 102 102 VAL VAL L . n B 2 79 GLN 79 103 103 GLN GLN L . n B 2 80 ALA 80 104 104 ALA ALA L . n B 2 81 GLU 81 105 105 GLU GLU L . n B 2 82 ASP 82 106 106 ASP ASP L . n B 2 83 LEU 83 107 107 LEU LEU L . n B 2 84 ALA 84 108 108 ALA ALA L . n B 2 85 VAL 85 109 109 VAL VAL L . n B 2 86 TYR 86 110 110 TYR TYR L . n B 2 87 PHE 87 111 111 PHE PHE L . n B 2 88 CYS 88 112 112 CYS CYS L . n B 2 89 GLN 89 113 113 GLN GLN L . n B 2 90 GLN 90 114 114 GLN GLN L . n B 2 91 GLY 91 115 115 GLY GLY L . n B 2 92 TYR 92 116 116 TYR TYR L . n B 2 93 THR 93 117 117 THR THR L . n B 2 94 SER 94 118 118 SER SER L . n B 2 95 PRO 95 119 119 PRO PRO L . n B 2 96 ARG 96 120 120 ARG ARG L . n B 2 97 THR 97 121 121 THR THR L . n B 2 98 PHE 98 122 122 PHE PHE L . n B 2 99 GLY 99 123 123 GLY GLY L . n B 2 100 GLY 100 124 124 GLY GLY L . n B 2 101 GLY 101 125 125 GLY GLY L . n B 2 102 THR 102 126 126 THR THR L . n B 2 103 LYS 103 127 127 LYS LYS L . n B 2 104 LEU 104 128 128 LEU LEU L . n B 2 105 GLU 105 129 129 GLU GLU L . n B 2 106 ILE 106 130 130 ILE ILE L . n B 2 107 LYS 107 131 131 LYS LYS L . n B 2 108 ARG 108 132 132 ARG ARG L . n B 2 109 ALA 109 133 133 ALA ALA L . n B 2 110 ASP 110 134 134 ASP ASP L . n B 2 111 ALA 111 135 135 ALA ALA L . n B 2 112 ALA 112 136 136 ALA ALA L . n B 2 113 PRO 113 137 137 PRO PRO L . n B 2 114 THR 114 138 138 THR THR L . n B 2 115 VAL 115 139 139 VAL VAL L . n B 2 116 SER 116 140 140 SER SER L . n B 2 117 ILE 117 141 141 ILE ILE L . n B 2 118 PHE 118 142 142 PHE PHE L . n B 2 119 PRO 119 143 143 PRO PRO L . n B 2 120 PRO 120 144 144 PRO PRO L . n B 2 121 SER 121 145 145 SER SER L . n B 2 122 SER 122 146 146 SER SER L . n B 2 123 GLU 123 147 147 GLU GLU L . n B 2 124 GLN 124 148 148 GLN GLN L . n B 2 125 LEU 125 149 149 LEU LEU L . n B 2 126 THR 126 150 150 THR THR L . n B 2 127 SER 127 151 151 SER SER L . n B 2 128 GLY 128 152 152 GLY GLY L . n B 2 129 GLY 129 153 153 GLY GLY L . n B 2 130 ALA 130 154 154 ALA ALA L . n B 2 131 SER 131 155 155 SER SER L . n B 2 132 VAL 132 156 156 VAL VAL L . n B 2 133 VAL 133 157 157 VAL VAL L . n B 2 134 CYS 134 158 158 CYS CYS L . n B 2 135 PHE 135 159 159 PHE PHE L . n B 2 136 LEU 136 160 160 LEU LEU L . n B 2 137 ASN 137 161 161 ASN ASN L . n B 2 138 ASN 138 162 162 ASN ASN L . n B 2 139 PHE 139 163 163 PHE PHE L . n B 2 140 TYR 140 164 164 TYR TYR L . n B 2 141 PRO 141 165 165 PRO PRO L . n B 2 142 LYS 142 166 166 LYS LYS L . n B 2 143 ASP 143 167 167 ASP ASP L . n B 2 144 ILE 144 168 168 ILE ILE L . n B 2 145 ASN 145 169 169 ASN ASN L . n B 2 146 VAL 146 170 170 VAL VAL L . n B 2 147 LYS 147 171 171 LYS LYS L . n B 2 148 TRP 148 172 172 TRP TRP L . n B 2 149 LYS 149 173 173 LYS LYS L . n B 2 150 ILE 150 174 174 ILE ILE L . n B 2 151 ASP 151 175 175 ASP ASP L . n B 2 152 GLY 152 176 176 GLY GLY L . n B 2 153 SER 153 177 177 SER SER L . n B 2 154 GLU 154 178 178 GLU GLU L . n B 2 155 ARG 155 179 179 ARG ARG L . n B 2 156 GLN 156 180 180 GLN GLN L . n B 2 157 ASN 157 181 181 ASN ASN L . n B 2 158 GLY 158 182 182 GLY GLY L . n B 2 159 VAL 159 183 183 VAL VAL L . n B 2 160 LEU 160 184 184 LEU LEU L . n B 2 161 ASN 161 185 185 ASN ASN L . n B 2 162 SER 162 186 186 SER SER L . n B 2 163 TRP 163 187 187 TRP TRP L . n B 2 164 THR 164 188 188 THR THR L . n B 2 165 ASP 165 189 189 ASP ASP L . n B 2 166 GLN 166 190 190 GLN GLN L . n B 2 167 ASP 167 191 191 ASP ASP L . n B 2 168 SER 168 192 192 SER SER L . n B 2 169 LYS 169 193 193 LYS LYS L . n B 2 170 ASP 170 194 194 ASP ASP L . n B 2 171 SER 171 195 195 SER SER L . n B 2 172 THR 172 196 196 THR THR L . n B 2 173 TYR 173 197 197 TYR TYR L . n B 2 174 SER 174 198 198 SER SER L . n B 2 175 MET 175 199 199 MET MET L . n B 2 176 SER 176 200 200 SER SER L . n B 2 177 SER 177 201 201 SER SER L . n B 2 178 THR 178 202 202 THR THR L . n B 2 179 LEU 179 203 203 LEU LEU L . n B 2 180 THR 180 204 204 THR THR L . n B 2 181 LEU 181 205 205 LEU LEU L . n B 2 182 THR 182 206 206 THR THR L . n B 2 183 LYS 183 207 207 LYS LYS L . n B 2 184 ASP 184 208 208 ASP ASP L . n B 2 185 GLU 185 209 209 GLU GLU L . n B 2 186 TYR 186 210 210 TYR TYR L . n B 2 187 GLU 187 211 211 GLU GLU L . n B 2 188 ARG 188 212 212 ARG ARG L . n B 2 189 HIS 189 213 213 HIS HIS L . n B 2 190 ASN 190 214 214 ASN ASN L . n B 2 191 SER 191 215 215 SER SER L . n B 2 192 TYR 192 216 216 TYR TYR L . n B 2 193 THR 193 217 217 THR THR L . n B 2 194 CYS 194 218 218 CYS CYS L . n B 2 195 GLU 195 219 219 GLU GLU L . n B 2 196 ALA 196 220 220 ALA ALA L . n B 2 197 THR 197 221 221 THR THR L . n B 2 198 HIS 198 222 222 HIS HIS L . n B 2 199 LYS 199 223 223 LYS LYS L . n B 2 200 THR 200 224 224 THR THR L . n B 2 201 SER 201 225 225 SER SER L . n B 2 202 THR 202 226 226 THR THR L . n B 2 203 SER 203 227 227 SER SER L . n B 2 204 PRO 204 228 228 PRO PRO L . n B 2 205 ILE 205 229 229 ILE ILE L . n B 2 206 VAL 206 230 230 VAL VAL L . n B 2 207 LYS 207 231 231 LYS LYS L . n B 2 208 SER 208 232 232 SER SER L . n B 2 209 PHE 209 233 233 PHE PHE L . n B 2 210 ASN 210 234 234 ASN ASN L . n B 2 211 ARG 211 235 235 ARG ARG L . n B 2 212 ASN 212 236 236 ASN ASN L . n B 2 213 GLU 213 237 237 GLU GLU L . n B 2 214 CYS 214 238 238 CYS CYS L . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code C 3 NAG 1 501 501 NAG NAG H . D 3 NAG 2 502 502 NAG NAG H . E 4 BMA 3 503 503 BMA BMA H . F 5 MAN 4 504 504 MAN MAN H . G 3 NAG 5 505 505 NAG NAG H . H 6 GAL 6 506 506 GAL GAL H . I 5 MAN 7 507 507 MAN MAN H . J 3 NAG 8 508 508 NAG NAG H . K 7 FUC 9 509 510 FUC FUC H . L 8 CL 1 510 1 CL CL H . M 9 HOH 1 601 333 HOH HOH H . M 9 HOH 2 602 245 HOH HOH H . M 9 HOH 3 603 302 HOH HOH H . M 9 HOH 4 604 224 HOH HOH H . M 9 HOH 5 605 277 HOH HOH H . M 9 HOH 6 606 303 HOH HOH H . M 9 HOH 7 607 386 HOH HOH H . M 9 HOH 8 608 252 HOH HOH H . M 9 HOH 9 609 398 HOH HOH H . M 9 HOH 10 610 265 HOH HOH H . M 9 HOH 11 611 380 HOH HOH H . M 9 HOH 12 612 259 HOH HOH H . M 9 HOH 13 613 413 HOH HOH H . M 9 HOH 14 614 339 HOH HOH H . M 9 HOH 15 615 233 HOH HOH H . M 9 HOH 16 616 55 HOH HOH H . M 9 HOH 17 617 119 HOH HOH H . M 9 HOH 18 618 229 HOH HOH H . M 9 HOH 19 619 405 HOH HOH H . M 9 HOH 20 620 79 HOH HOH H . M 9 HOH 21 621 242 HOH HOH H . M 9 HOH 22 622 306 HOH HOH H . M 9 HOH 23 623 98 HOH HOH H . M 9 HOH 24 624 251 HOH HOH H . M 9 HOH 25 625 358 HOH HOH H . M 9 HOH 26 626 223 HOH HOH H . M 9 HOH 27 627 225 HOH HOH H . M 9 HOH 28 628 30 HOH HOH H . M 9 HOH 29 629 26 HOH HOH H . M 9 HOH 30 630 253 HOH HOH H . M 9 HOH 31 631 9 HOH HOH H . M 9 HOH 32 632 250 HOH HOH H . M 9 HOH 33 633 232 HOH HOH H . M 9 HOH 34 634 131 HOH HOH H . M 9 HOH 35 635 117 HOH HOH H . M 9 HOH 36 636 110 HOH HOH H . M 9 HOH 37 637 39 HOH HOH H . M 9 HOH 38 638 157 HOH HOH H . M 9 HOH 39 639 139 HOH HOH H . M 9 HOH 40 640 148 HOH HOH H . M 9 HOH 41 641 390 HOH HOH H . M 9 HOH 42 642 58 HOH HOH H . M 9 HOH 43 643 310 HOH HOH H . M 9 HOH 44 644 107 HOH HOH H . M 9 HOH 45 645 207 HOH HOH H . M 9 HOH 46 646 129 HOH HOH H . M 9 HOH 47 647 234 HOH HOH H . M 9 HOH 48 648 231 HOH HOH H . M 9 HOH 49 649 109 HOH HOH H . M 9 HOH 50 650 249 HOH HOH H . M 9 HOH 51 651 1 HOH HOH H . M 9 HOH 52 652 42 HOH HOH H . M 9 HOH 53 653 307 HOH HOH H . M 9 HOH 54 654 85 HOH HOH H . M 9 HOH 55 655 73 HOH HOH H . M 9 HOH 56 656 64 HOH HOH H . M 9 HOH 57 657 25 HOH HOH H . M 9 HOH 58 658 240 HOH HOH H . M 9 HOH 59 659 53 HOH HOH H . M 9 HOH 60 660 185 HOH HOH H . M 9 HOH 61 661 343 HOH HOH H . M 9 HOH 62 662 97 HOH HOH H . M 9 HOH 63 663 124 HOH HOH H . M 9 HOH 64 664 184 HOH HOH H . M 9 HOH 65 665 102 HOH HOH H . M 9 HOH 66 666 103 HOH HOH H . M 9 HOH 67 667 62 HOH HOH H . M 9 HOH 68 668 141 HOH HOH H . M 9 HOH 69 669 344 HOH HOH H . M 9 HOH 70 670 399 HOH HOH H . M 9 HOH 71 671 147 HOH HOH H . M 9 HOH 72 672 52 HOH HOH H . M 9 HOH 73 673 54 HOH HOH H . M 9 HOH 74 674 142 HOH HOH H . M 9 HOH 75 675 149 HOH HOH H . M 9 HOH 76 676 313 HOH HOH H . M 9 HOH 77 677 59 HOH HOH H . M 9 HOH 78 678 406 HOH HOH H . M 9 HOH 79 679 82 HOH HOH H . M 9 HOH 80 680 83 HOH HOH H . M 9 HOH 81 681 61 HOH HOH H . M 9 HOH 82 682 274 HOH HOH H . M 9 HOH 83 683 293 HOH HOH H . M 9 HOH 84 684 126 HOH HOH H . M 9 HOH 85 685 105 HOH HOH H . M 9 HOH 86 686 11 HOH HOH H . M 9 HOH 87 687 2 HOH HOH H . M 9 HOH 88 688 416 HOH HOH H . M 9 HOH 89 689 8 HOH HOH H . M 9 HOH 90 690 161 HOH HOH H . M 9 HOH 91 691 91 HOH HOH H . M 9 HOH 92 692 283 HOH HOH H . M 9 HOH 93 693 163 HOH HOH H . M 9 HOH 94 694 145 HOH HOH H . M 9 HOH 95 695 76 HOH HOH H . M 9 HOH 96 696 312 HOH HOH H . M 9 HOH 97 697 236 HOH HOH H . M 9 HOH 98 698 20 HOH HOH H . M 9 HOH 99 699 423 HOH HOH H . M 9 HOH 100 700 45 HOH HOH H . M 9 HOH 101 701 88 HOH HOH H . M 9 HOH 102 702 121 HOH HOH H . M 9 HOH 103 703 60 HOH HOH H . M 9 HOH 104 704 189 HOH HOH H . M 9 HOH 105 705 33 HOH HOH H . M 9 HOH 106 706 29 HOH HOH H . M 9 HOH 107 707 72 HOH HOH H . M 9 HOH 108 708 326 HOH HOH H . M 9 HOH 109 709 352 HOH HOH H . M 9 HOH 110 710 24 HOH HOH H . M 9 HOH 111 711 5 HOH HOH H . M 9 HOH 112 712 160 HOH HOH H . M 9 HOH 113 713 133 HOH HOH H . M 9 HOH 114 714 6 HOH HOH H . M 9 HOH 115 715 403 HOH HOH H . M 9 HOH 116 716 78 HOH HOH H . M 9 HOH 117 717 214 HOH HOH H . M 9 HOH 118 718 362 HOH HOH H . M 9 HOH 119 719 49 HOH HOH H . M 9 HOH 120 720 104 HOH HOH H . M 9 HOH 121 721 134 HOH HOH H . M 9 HOH 122 722 204 HOH HOH H . M 9 HOH 123 723 65 HOH HOH H . M 9 HOH 124 724 393 HOH HOH H . M 9 HOH 125 725 297 HOH HOH H . M 9 HOH 126 726 178 HOH HOH H . M 9 HOH 127 727 77 HOH HOH H . M 9 HOH 128 728 32 HOH HOH H . M 9 HOH 129 729 395 HOH HOH H . M 9 HOH 130 730 180 HOH HOH H . M 9 HOH 131 731 193 HOH HOH H . M 9 HOH 132 732 92 HOH HOH H . M 9 HOH 133 733 445 HOH HOH H . M 9 HOH 134 734 152 HOH HOH H . M 9 HOH 135 735 68 HOH HOH H . M 9 HOH 136 736 220 HOH HOH H . M 9 HOH 137 737 136 HOH HOH H . M 9 HOH 138 738 266 HOH HOH H . M 9 HOH 139 739 296 HOH HOH H . M 9 HOH 140 740 127 HOH HOH H . M 9 HOH 141 741 351 HOH HOH H . M 9 HOH 142 742 203 HOH HOH H . M 9 HOH 143 743 389 HOH HOH H . M 9 HOH 144 744 125 HOH HOH H . M 9 HOH 145 745 51 HOH HOH H . M 9 HOH 146 746 317 HOH HOH H . M 9 HOH 147 747 363 HOH HOH H . M 9 HOH 148 748 194 HOH HOH H . M 9 HOH 149 749 295 HOH HOH H . M 9 HOH 150 750 170 HOH HOH H . M 9 HOH 151 751 172 HOH HOH H . M 9 HOH 152 752 304 HOH HOH H . M 9 HOH 153 753 431 HOH HOH H . M 9 HOH 154 754 48 HOH HOH H . M 9 HOH 155 755 330 HOH HOH H . M 9 HOH 156 756 198 HOH HOH H . M 9 HOH 157 757 432 HOH HOH H . M 9 HOH 158 758 74 HOH HOH H . M 9 HOH 159 759 247 HOH HOH H . M 9 HOH 160 760 164 HOH HOH H . M 9 HOH 161 761 10 HOH HOH H . M 9 HOH 162 762 115 HOH HOH H . M 9 HOH 163 763 108 HOH HOH H . M 9 HOH 164 764 90 HOH HOH H . M 9 HOH 165 765 400 HOH HOH H . M 9 HOH 166 766 12 HOH HOH H . M 9 HOH 167 767 144 HOH HOH H . M 9 HOH 168 768 37 HOH HOH H . M 9 HOH 169 769 94 HOH HOH H . M 9 HOH 170 770 329 HOH HOH H . M 9 HOH 171 771 289 HOH HOH H . M 9 HOH 172 772 80 HOH HOH H . M 9 HOH 173 773 40 HOH HOH H . M 9 HOH 174 774 186 HOH HOH H . M 9 HOH 175 775 284 HOH HOH H . M 9 HOH 176 776 350 HOH HOH H . M 9 HOH 177 777 187 HOH HOH H . M 9 HOH 178 778 387 HOH HOH H . M 9 HOH 179 779 27 HOH HOH H . M 9 HOH 180 780 436 HOH HOH H . M 9 HOH 181 781 267 HOH HOH H . M 9 HOH 182 782 182 HOH HOH H . M 9 HOH 183 783 135 HOH HOH H . M 9 HOH 184 784 272 HOH HOH H . M 9 HOH 185 785 347 HOH HOH H . M 9 HOH 186 786 221 HOH HOH H . M 9 HOH 187 787 162 HOH HOH H . M 9 HOH 188 788 237 HOH HOH H . M 9 HOH 189 789 410 HOH HOH H . M 9 HOH 190 790 429 HOH HOH H . M 9 HOH 191 791 254 HOH HOH H . M 9 HOH 192 792 388 HOH HOH H . M 9 HOH 193 793 200 HOH HOH H . M 9 HOH 194 794 210 HOH HOH H . M 9 HOH 195 795 213 HOH HOH H . M 9 HOH 196 796 290 HOH HOH H . M 9 HOH 197 797 118 HOH HOH H . M 9 HOH 198 798 394 HOH HOH H . M 9 HOH 199 799 425 HOH HOH H . M 9 HOH 200 800 192 HOH HOH H . M 9 HOH 201 801 367 HOH HOH H . M 9 HOH 202 802 357 HOH HOH H . M 9 HOH 203 803 348 HOH HOH H . M 9 HOH 204 804 379 HOH HOH H . M 9 HOH 205 805 443 HOH HOH H . M 9 HOH 206 806 183 HOH HOH H . M 9 HOH 207 807 340 HOH HOH H . M 9 HOH 208 808 219 HOH HOH H . M 9 HOH 209 809 327 HOH HOH H . M 9 HOH 210 810 337 HOH HOH H . M 9 HOH 211 811 359 HOH HOH H . M 9 HOH 212 812 175 HOH HOH H . M 9 HOH 213 813 421 HOH HOH H . M 9 HOH 214 814 383 HOH HOH H . M 9 HOH 215 815 138 HOH HOH H . M 9 HOH 216 816 323 HOH HOH H . M 9 HOH 217 817 270 HOH HOH H . M 9 HOH 218 818 411 HOH HOH H . M 9 HOH 219 819 218 HOH HOH H . M 9 HOH 220 820 195 HOH HOH H . M 9 HOH 221 821 444 HOH HOH H . M 9 HOH 222 822 276 HOH HOH H . M 9 HOH 223 823 424 HOH HOH H . M 9 HOH 224 824 366 HOH HOH H . M 9 HOH 225 825 122 HOH HOH H . M 9 HOH 226 826 299 HOH HOH H . M 9 HOH 227 827 154 HOH HOH H . M 9 HOH 228 828 280 HOH HOH H . M 9 HOH 229 829 116 HOH HOH H . M 9 HOH 230 830 356 HOH HOH H . M 9 HOH 231 831 316 HOH HOH H . M 9 HOH 232 832 168 HOH HOH H . M 9 HOH 233 833 371 HOH HOH H . M 9 HOH 234 834 372 HOH HOH H . M 9 HOH 235 835 419 HOH HOH H . M 9 HOH 236 836 334 HOH HOH H . M 9 HOH 237 837 216 HOH HOH H . M 9 HOH 238 838 235 HOH HOH H . M 9 HOH 239 839 269 HOH HOH H . M 9 HOH 240 840 328 HOH HOH H . N 9 HOH 1 301 275 HOH HOH L . N 9 HOH 2 302 13 HOH HOH L . N 9 HOH 3 303 354 HOH HOH L . N 9 HOH 4 304 260 HOH HOH L . N 9 HOH 5 305 373 HOH HOH L . N 9 HOH 6 306 248 HOH HOH L . N 9 HOH 7 307 300 HOH HOH L . N 9 HOH 8 308 21 HOH HOH L . N 9 HOH 9 309 442 HOH HOH L . N 9 HOH 10 310 286 HOH HOH L . N 9 HOH 11 311 209 HOH HOH L . N 9 HOH 12 312 112 HOH HOH L . N 9 HOH 13 313 222 HOH HOH L . N 9 HOH 14 314 228 HOH HOH L . N 9 HOH 15 315 239 HOH HOH L . N 9 HOH 16 316 70 HOH HOH L . N 9 HOH 17 317 320 HOH HOH L . N 9 HOH 18 318 385 HOH HOH L . N 9 HOH 19 319 66 HOH HOH L . N 9 HOH 20 320 34 HOH HOH L . N 9 HOH 21 321 208 HOH HOH L . N 9 HOH 22 322 365 HOH HOH L . N 9 HOH 23 323 309 HOH HOH L . N 9 HOH 24 324 137 HOH HOH L . N 9 HOH 25 325 38 HOH HOH L . N 9 HOH 26 326 341 HOH HOH L . N 9 HOH 27 327 315 HOH HOH L . N 9 HOH 28 328 368 HOH HOH L . N 9 HOH 29 329 22 HOH HOH L . N 9 HOH 30 330 308 HOH HOH L . N 9 HOH 31 331 244 HOH HOH L . N 9 HOH 32 332 238 HOH HOH L . N 9 HOH 33 333 246 HOH HOH L . N 9 HOH 34 334 41 HOH HOH L . N 9 HOH 35 335 28 HOH HOH L . N 9 HOH 36 336 35 HOH HOH L . N 9 HOH 37 337 75 HOH HOH L . N 9 HOH 38 338 417 HOH HOH L . N 9 HOH 39 339 397 HOH HOH L . N 9 HOH 40 340 396 HOH HOH L . N 9 HOH 41 341 325 HOH HOH L . N 9 HOH 42 342 23 HOH HOH L . N 9 HOH 43 343 7 HOH HOH L . N 9 HOH 44 344 71 HOH HOH L . N 9 HOH 45 345 130 HOH HOH L . N 9 HOH 46 346 86 HOH HOH L . N 9 HOH 47 347 227 HOH HOH L . N 9 HOH 48 348 128 HOH HOH L . N 9 HOH 49 349 47 HOH HOH L . N 9 HOH 50 350 324 HOH HOH L . N 9 HOH 51 351 377 HOH HOH L . N 9 HOH 52 352 212 HOH HOH L . N 9 HOH 53 353 132 HOH HOH L . N 9 HOH 54 354 159 HOH HOH L . N 9 HOH 55 355 243 HOH HOH L . N 9 HOH 56 356 150 HOH HOH L . N 9 HOH 57 357 31 HOH HOH L . N 9 HOH 58 358 87 HOH HOH L . N 9 HOH 59 359 255 HOH HOH L . N 9 HOH 60 360 153 HOH HOH L . N 9 HOH 61 361 14 HOH HOH L . N 9 HOH 62 362 364 HOH HOH L . N 9 HOH 63 363 211 HOH HOH L . N 9 HOH 64 364 301 HOH HOH L . N 9 HOH 65 365 63 HOH HOH L . N 9 HOH 66 366 278 HOH HOH L . N 9 HOH 67 367 44 HOH HOH L . N 9 HOH 68 368 67 HOH HOH L . N 9 HOH 69 369 46 HOH HOH L . N 9 HOH 70 370 332 HOH HOH L . N 9 HOH 71 371 114 HOH HOH L . N 9 HOH 72 372 151 HOH HOH L . N 9 HOH 73 373 56 HOH HOH L . N 9 HOH 74 374 177 HOH HOH L . N 9 HOH 75 375 50 HOH HOH L . N 9 HOH 76 376 181 HOH HOH L . N 9 HOH 77 377 258 HOH HOH L . N 9 HOH 78 378 226 HOH HOH L . N 9 HOH 79 379 437 HOH HOH L . N 9 HOH 80 380 17 HOH HOH L . N 9 HOH 81 381 263 HOH HOH L . N 9 HOH 82 382 174 HOH HOH L . N 9 HOH 83 383 166 HOH HOH L . N 9 HOH 84 384 16 HOH HOH L . N 9 HOH 85 385 113 HOH HOH L . N 9 HOH 86 386 262 HOH HOH L . N 9 HOH 87 387 3 HOH HOH L . N 9 HOH 88 388 84 HOH HOH L . N 9 HOH 89 389 111 HOH HOH L . N 9 HOH 90 390 167 HOH HOH L . N 9 HOH 91 391 291 HOH HOH L . N 9 HOH 92 392 199 HOH HOH L . N 9 HOH 93 393 409 HOH HOH L . N 9 HOH 94 394 43 HOH HOH L . N 9 HOH 95 395 261 HOH HOH L . N 9 HOH 96 396 428 HOH HOH L . N 9 HOH 97 397 241 HOH HOH L . N 9 HOH 98 398 353 HOH HOH L . N 9 HOH 99 399 197 HOH HOH L . N 9 HOH 100 400 106 HOH HOH L . N 9 HOH 101 401 179 HOH HOH L . N 9 HOH 102 402 420 HOH HOH L . N 9 HOH 103 403 81 HOH HOH L . N 9 HOH 104 404 382 HOH HOH L . N 9 HOH 105 405 143 HOH HOH L . N 9 HOH 106 406 279 HOH HOH L . N 9 HOH 107 407 322 HOH HOH L . N 9 HOH 108 408 100 HOH HOH L . N 9 HOH 109 409 96 HOH HOH L . N 9 HOH 110 410 294 HOH HOH L . N 9 HOH 111 411 196 HOH HOH L . N 9 HOH 112 412 69 HOH HOH L . N 9 HOH 113 413 346 HOH HOH L . N 9 HOH 114 414 264 HOH HOH L . N 9 HOH 115 415 298 HOH HOH L . N 9 HOH 116 416 285 HOH HOH L . N 9 HOH 117 417 123 HOH HOH L . N 9 HOH 118 418 18 HOH HOH L . N 9 HOH 119 419 230 HOH HOH L . N 9 HOH 120 420 101 HOH HOH L . N 9 HOH 121 421 318 HOH HOH L . N 9 HOH 122 422 155 HOH HOH L . N 9 HOH 123 423 120 HOH HOH L . N 9 HOH 124 424 171 HOH HOH L . N 9 HOH 125 425 57 HOH HOH L . N 9 HOH 126 426 282 HOH HOH L . N 9 HOH 127 427 156 HOH HOH L . N 9 HOH 128 428 19 HOH HOH L . N 9 HOH 129 429 288 HOH HOH L . N 9 HOH 130 430 335 HOH HOH L . N 9 HOH 131 431 146 HOH HOH L . N 9 HOH 132 432 158 HOH HOH L . N 9 HOH 133 433 369 HOH HOH L . N 9 HOH 134 434 345 HOH HOH L . N 9 HOH 135 435 384 HOH HOH L . N 9 HOH 136 436 169 HOH HOH L . N 9 HOH 137 437 140 HOH HOH L . N 9 HOH 138 438 4 HOH HOH L . N 9 HOH 139 439 441 HOH HOH L . N 9 HOH 140 440 440 HOH HOH L . N 9 HOH 141 441 311 HOH HOH L . N 9 HOH 142 442 173 HOH HOH L . N 9 HOH 143 443 361 HOH HOH L . N 9 HOH 144 444 370 HOH HOH L . N 9 HOH 145 445 319 HOH HOH L . N 9 HOH 146 446 206 HOH HOH L . N 9 HOH 147 447 176 HOH HOH L . N 9 HOH 148 448 36 HOH HOH L . N 9 HOH 149 449 188 HOH HOH L . N 9 HOH 150 450 402 HOH HOH L . N 9 HOH 151 451 292 HOH HOH L . N 9 HOH 152 452 89 HOH HOH L . N 9 HOH 153 453 438 HOH HOH L . N 9 HOH 154 454 271 HOH HOH L . N 9 HOH 155 455 95 HOH HOH L . N 9 HOH 156 456 305 HOH HOH L . N 9 HOH 157 457 430 HOH HOH L . N 9 HOH 158 458 422 HOH HOH L . N 9 HOH 159 459 201 HOH HOH L . N 9 HOH 160 460 15 HOH HOH L . N 9 HOH 161 461 374 HOH HOH L . N 9 HOH 162 462 412 HOH HOH L . N 9 HOH 163 463 391 HOH HOH L . N 9 HOH 164 464 376 HOH HOH L . N 9 HOH 165 465 191 HOH HOH L . N 9 HOH 166 466 439 HOH HOH L . N 9 HOH 167 467 273 HOH HOH L . N 9 HOH 168 468 338 HOH HOH L . N 9 HOH 169 469 336 HOH HOH L . N 9 HOH 170 470 268 HOH HOH L . N 9 HOH 171 471 331 HOH HOH L . N 9 HOH 172 472 392 HOH HOH L . N 9 HOH 173 473 378 HOH HOH L . N 9 HOH 174 474 93 HOH HOH L . N 9 HOH 175 475 342 HOH HOH L . N 9 HOH 176 476 281 HOH HOH L . N 9 HOH 177 477 314 HOH HOH L . N 9 HOH 178 478 408 HOH HOH L . N 9 HOH 179 479 202 HOH HOH L . N 9 HOH 180 480 205 HOH HOH L . N 9 HOH 181 481 415 HOH HOH L . N 9 HOH 182 482 257 HOH HOH L . N 9 HOH 183 483 215 HOH HOH L . N 9 HOH 184 484 435 HOH HOH L . N 9 HOH 185 485 401 HOH HOH L . N 9 HOH 186 486 355 HOH HOH L . N 9 HOH 187 487 349 HOH HOH L . N 9 HOH 188 488 407 HOH HOH L . N 9 HOH 189 489 287 HOH HOH L . N 9 HOH 190 490 217 HOH HOH L . N 9 HOH 191 491 360 HOH HOH L . N 9 HOH 192 492 165 HOH HOH L . N 9 HOH 193 493 404 HOH HOH L . N 9 HOH 194 494 426 HOH HOH L . N 9 HOH 195 495 427 HOH HOH L . N 9 HOH 196 496 321 HOH HOH L . N 9 HOH 197 497 99 HOH HOH L . N 9 HOH 198 498 381 HOH HOH L . N 9 HOH 199 499 256 HOH HOH L . N 9 HOH 200 500 190 HOH HOH L . N 9 HOH 201 501 418 HOH HOH L . N 9 HOH 202 502 433 HOH HOH L . N 9 HOH 203 503 414 HOH HOH L . N 9 HOH 204 504 375 HOH HOH L . # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details dimeric _pdbx_struct_assembly.oligomeric_count 2 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'ABSA (A^2)' 5650 ? 1 MORE -11 ? 1 'SSA (A^2)' 20660 ? # _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 H _pdbx_struct_special_symmetry.auth_comp_id HOH _pdbx_struct_special_symmetry.auth_seq_id 684 _pdbx_struct_special_symmetry.PDB_ins_code ? _pdbx_struct_special_symmetry.label_asym_id M _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 2017-01-25 2 'Structure model' 1 1 2017-02-15 3 'Structure model' 1 2 2017-03-01 4 'Structure model' 1 3 2017-04-26 # _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' 'Structure summary' 2 3 'Structure model' 'Structure summary' 3 4 'Structure model' Other 4 4 'Structure model' 'Structure summary' # loop_ _pdbx_refine_tls.pdbx_refine_id _pdbx_refine_tls.id _pdbx_refine_tls.details _pdbx_refine_tls.method _pdbx_refine_tls.origin_x _pdbx_refine_tls.origin_y _pdbx_refine_tls.origin_z _pdbx_refine_tls.T[1][1] _pdbx_refine_tls.T[2][2] _pdbx_refine_tls.T[3][3] _pdbx_refine_tls.T[1][2] _pdbx_refine_tls.T[1][3] _pdbx_refine_tls.T[2][3] _pdbx_refine_tls.L[1][1] _pdbx_refine_tls.L[2][2] _pdbx_refine_tls.L[3][3] _pdbx_refine_tls.L[1][2] _pdbx_refine_tls.L[1][3] _pdbx_refine_tls.L[2][3] _pdbx_refine_tls.S[1][1] _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[2][2] _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][2] _pdbx_refine_tls.S[3][3] 'X-RAY DIFFRACTION' 1 ? refined 50.2211 -6.4154 2.6602 0.4163 0.2238 0.3076 0.0768 -0.0036 -0.0562 3.5915 3.1413 3.7574 2.5096 -1.7284 -0.0695 0.2944 -0.6048 0.6559 -0.2371 -0.3196 0.2449 -0.3582 -0.1929 -0.0141 'X-RAY DIFFRACTION' 2 ? refined 48.1600 -3.0669 -10.0427 0.4548 0.1341 0.2432 -0.0103 -0.0620 -0.0383 5.0083 0.4966 0.9886 -1.3158 1.3500 -0.9630 -0.1981 0.0824 0.2189 -0.3639 0.0868 -0.0773 0.0147 0.0655 -0.1187 'X-RAY DIFFRACTION' 3 ? refined 50.7830 -15.7337 -6.6955 0.3712 0.1978 0.2736 0.0367 -0.0064 -0.0503 3.8409 4.8426 4.8123 -0.1484 -0.5378 -0.2637 -0.1879 0.0588 -0.2992 -0.4264 0.0234 0.3432 0.2734 -0.3360 0.1746 'X-RAY DIFFRACTION' 4 ? refined 47.4131 -8.8680 -3.5475 0.3978 0.2144 0.2736 0.0755 -0.0596 -0.0764 6.1937 2.2838 6.6090 1.7868 -4.1096 -2.1041 -0.1881 0.0477 -0.0011 -0.5877 0.0132 0.2394 -0.0474 -0.4218 0.1599 'X-RAY DIFFRACTION' 5 ? refined 58.4667 -13.6494 -1.7267 0.4075 0.2156 0.2517 0.0415 0.0087 -0.0133 5.2613 3.4060 3.1251 -0.1327 -1.3606 0.8902 0.0965 0.1112 0.1165 -0.3202 -0.0408 -0.2052 -0.0917 -0.0448 -0.0732 'X-RAY DIFFRACTION' 6 ? refined 42.4909 -5.2576 23.4073 0.3949 0.2316 0.3196 -0.1219 0.1249 -0.0309 6.6658 2.0371 5.3233 0.2114 5.2690 1.0134 -0.0803 -0.4736 0.2127 0.2546 0.0033 0.1926 -1.1072 -0.6686 0.1818 'X-RAY DIFFRACTION' 7 ? refined 56.3971 -9.1836 36.7271 0.4692 0.4254 0.3526 -0.2179 0.0815 -0.1066 1.5575 2.4070 2.0197 0.4973 -1.3969 0.9438 0.1625 -0.4808 0.1382 0.2401 0.0319 -0.2416 -0.1308 0.6435 -0.1777 'X-RAY DIFFRACTION' 8 ? refined 54.1797 -9.0287 24.3305 0.3963 0.2937 0.2721 -0.1861 0.0876 -0.0425 2.6842 1.7152 3.8474 -1.7275 1.7917 -0.6694 0.1252 0.0250 -0.0016 0.0226 -0.0772 0.0238 -0.2560 0.3075 -0.0555 'X-RAY DIFFRACTION' 9 ? refined 58.5296 -0.5555 30.2286 0.6045 0.3052 0.3670 -0.3839 0.0753 -0.1658 3.9413 1.4655 7.0988 1.0178 4.2303 1.7595 0.5802 0.3928 0.6084 0.2300 -0.1472 -0.2021 -0.6269 0.9048 -0.2845 'X-RAY DIFFRACTION' 10 ? refined 54.1451 0.7567 34.1872 0.7111 0.3830 0.4085 -0.2553 0.0962 -0.1100 0.6768 1.7871 7.7727 0.6305 0.8335 -0.8808 0.1699 -0.0442 0.1846 0.1183 -0.1262 0.1173 -1.2558 0.7623 0.1495 'X-RAY DIFFRACTION' 11 ? refined 63.6189 -33.7630 6.2645 0.4816 0.2257 0.3667 0.0435 0.1221 0.0300 3.7391 2.7003 5.7723 -0.1262 2.7017 0.1414 -0.0297 -0.1869 -0.3457 0.3020 0.0193 0.2424 0.5521 0.0976 -0.0961 'X-RAY DIFFRACTION' 12 ? refined 63.2163 -28.3137 -5.0459 0.4578 0.1817 0.2947 0.0794 0.0580 -0.0194 3.7098 4.5175 4.7690 0.3944 1.3000 0.4898 -0.0083 0.2807 -0.2063 -0.2371 0.0891 0.1138 0.3098 0.2181 0.0769 'X-RAY DIFFRACTION' 13 ? refined 70.4155 -25.4589 0.4996 0.3966 0.1967 0.2420 0.0318 0.0870 -0.0114 4.1561 2.9096 2.3720 -1.7843 0.2790 -1.4758 -0.1057 -0.0473 0.0256 -0.0226 0.0273 -0.2094 0.0507 0.2661 0.1376 'X-RAY DIFFRACTION' 14 ? refined 63.4577 -25.8243 2.0230 0.4444 0.1924 0.2738 0.0140 0.0891 -0.0245 4.8623 3.1258 2.4661 -2.2199 1.4290 -1.6994 -0.0824 -0.0818 -0.1339 -0.0292 0.0176 0.0642 0.0285 0.1244 0.0360 'X-RAY DIFFRACTION' 15 ? refined 66.3344 -28.1200 23.1820 0.5005 0.5483 0.3202 0.1155 0.1183 0.0633 0.4031 1.2603 2.7082 0.8121 1.1078 1.9714 -0.0645 -0.2434 0.0042 -0.1019 -0.2658 -0.2052 0.5076 0.4140 0.3034 'X-RAY DIFFRACTION' 16 ? refined 52.6196 -14.7457 34.8367 0.3555 0.2720 0.2459 -0.1624 0.0784 -0.0595 5.8274 3.2649 2.8579 -3.6345 -1.7636 0.1068 0.1585 -0.0195 0.2423 -0.0495 -0.1638 -0.0638 0.0115 0.0696 -0.1216 'X-RAY DIFFRACTION' 17 ? refined 46.4914 -24.8214 39.7961 0.5021 0.3354 0.3420 -0.1765 0.0224 -0.0578 7.0239 0.5120 4.5731 -1.1667 -4.3173 0.2488 0.0348 -0.2977 -0.6812 0.1699 -0.1817 0.3069 0.6432 -0.0241 0.2533 'X-RAY DIFFRACTION' 18 ? refined 57.1395 -21.1255 25.9537 0.4916 0.1975 0.2328 -0.0857 0.0688 -0.0161 3.9467 2.9382 4.4860 -1.9340 -0.6496 0.4995 0.4457 0.4198 0.4150 -0.4385 -0.3037 -0.1954 -0.0782 0.3301 -0.0516 'X-RAY DIFFRACTION' 19 ? refined 44.9758 -17.2900 40.2328 0.3803 0.3054 0.3035 -0.2005 0.0665 -0.0775 4.3490 2.8161 3.7957 -2.2979 -1.7463 0.8228 -0.0797 -0.3118 0.0257 0.1893 0.0724 0.1708 0.0426 -0.1800 -0.0039 'X-RAY DIFFRACTION' 20 ? refined 54.4282 -20.7251 45.3191 0.3957 0.4689 0.2552 -0.1627 0.0394 0.0038 6.2968 6.2773 5.0623 -4.5030 -3.6478 2.4361 -0.2138 -0.6774 0.0825 0.4364 0.1132 -0.0328 0.3316 0.5442 -0.0486 # loop_ _pdbx_refine_tls_group.pdbx_refine_id _pdbx_refine_tls_group.id _pdbx_refine_tls_group.refine_tls_id _pdbx_refine_tls_group.beg_auth_asym_id _pdbx_refine_tls_group.beg_auth_seq_id _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.selection _pdbx_refine_tls_group.selection_details 'X-RAY DIFFRACTION' 1 1 ? ? ? ? ? ? ? ? ? ;chain 'H' and (resid 15 through 31 ) ; 'X-RAY DIFFRACTION' 2 2 ? ? ? ? ? ? ? ? ? ;chain 'H' and ((resid 32 through 47 ) or (resid 501 through 510)) ; 'X-RAY DIFFRACTION' 3 3 ? ? ? ? ? ? ? ? ? ;chain 'H' and (resid 48 through 87 ) ; 'X-RAY DIFFRACTION' 4 4 ? ? ? ? ? ? ? ? ? ;chain 'H' and (resid 88 through 105 ) ; 'X-RAY DIFFRACTION' 5 5 ? ? ? ? ? ? ? ? ? ;chain 'H' and (resid 106 through 131 ) ; 'X-RAY DIFFRACTION' 6 6 ? ? ? ? ? ? ? ? ? ;chain 'H' and (resid 132 through 144 ) ; 'X-RAY DIFFRACTION' 7 7 ? ? ? ? ? ? ? ? ? ;chain 'H' and (resid 145 through 165 ) ; 'X-RAY DIFFRACTION' 8 8 ? ? ? ? ? ? ? ? ? ;chain 'H' and (resid 166 through 204 ) ; 'X-RAY DIFFRACTION' 9 9 ? ? ? ? ? ? ? ? ? ;chain 'H' and (resid 205 through 222 ) ; 'X-RAY DIFFRACTION' 10 10 ? ? ? ? ? ? ? ? ? ;chain 'H' and (resid 223 through 236 ) ; 'X-RAY DIFFRACTION' 11 11 ? ? ? ? ? ? ? ? ? ;chain 'L' and (resid 25 through 49 ) ; 'X-RAY DIFFRACTION' 12 12 ? ? ? ? ? ? ? ? ? ;chain 'L' and (resid 50 through 62 ) ; 'X-RAY DIFFRACTION' 13 13 ? ? ? ? ? ? ? ? ? ;chain 'L' and (resid 63 through 99 ) ; 'X-RAY DIFFRACTION' 14 14 ? ? ? ? ? ? ? ? ? ;chain 'L' and (resid 100 through 125 ) ; 'X-RAY DIFFRACTION' 15 15 ? ? ? ? ? ? ? ? ? ;chain 'L' and (resid 126 through 137 ) ; 'X-RAY DIFFRACTION' 16 16 ? ? ? ? ? ? ? ? ? ;chain 'L' and (resid 138 through 167 ) ; 'X-RAY DIFFRACTION' 17 17 ? ? ? ? ? ? ? ? ? ;chain 'L' and (resid 168 through 179 ) ; 'X-RAY DIFFRACTION' 18 18 ? ? ? ? ? ? ? ? ? ;chain 'L' and (resid 180 through 198 ) ; 'X-RAY DIFFRACTION' 19 19 ? ? ? ? ? ? ? ? ? ;chain 'L' and (resid 199 through 222 ) ; 'X-RAY DIFFRACTION' 20 20 ? ? ? ? ? ? ? ? ? ;chain 'L' and (resid 223 through 238 ) ; # loop_ _software.citation_id _software.classification _software.compiler_name _software.compiler_version _software.contact_author _software.contact_author_email _software.date _software.description _software.dependencies _software.hardware _software.language _software.location _software.mods _software.name _software.os _software.os_version _software.type _software.version _software.pdbx_ordinal ? refinement ? ? ? ? ? ? ? ? ? ? ? PHENIX ? ? ? '(1.10_2155: ???)' 1 ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? XSCALE ? ? ? . 2 ? 'data extraction' ? ? ? ? ? ? ? ? ? ? ? PDB_EXTRACT ? ? ? 3.20 3 ? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS ? ? ? . 4 ? phasing ? ? ? ? ? ? ? ? ? ? ? PHASER ? ? ? . 5 # _pdbx_validate_close_contact.id 1 _pdbx_validate_close_contact.PDB_model_num 1 _pdbx_validate_close_contact.auth_atom_id_1 OE2 _pdbx_validate_close_contact.auth_asym_id_1 L _pdbx_validate_close_contact.auth_comp_id_1 GLU _pdbx_validate_close_contact.auth_seq_id_1 211 _pdbx_validate_close_contact.PDB_ins_code_1 ? _pdbx_validate_close_contact.label_alt_id_1 ? _pdbx_validate_close_contact.auth_atom_id_2 O _pdbx_validate_close_contact.auth_asym_id_2 L _pdbx_validate_close_contact.auth_comp_id_2 HOH _pdbx_validate_close_contact.auth_seq_id_2 301 _pdbx_validate_close_contact.PDB_ins_code_2 ? _pdbx_validate_close_contact.label_alt_id_2 ? _pdbx_validate_close_contact.dist 2.19 # _pdbx_validate_rmsd_angle.id 1 _pdbx_validate_rmsd_angle.PDB_model_num 1 _pdbx_validate_rmsd_angle.auth_atom_id_1 CA _pdbx_validate_rmsd_angle.auth_asym_id_1 H _pdbx_validate_rmsd_angle.auth_comp_id_1 CYS _pdbx_validate_rmsd_angle.auth_seq_id_1 215 _pdbx_validate_rmsd_angle.PDB_ins_code_1 ? _pdbx_validate_rmsd_angle.label_alt_id_1 B _pdbx_validate_rmsd_angle.auth_atom_id_2 CB _pdbx_validate_rmsd_angle.auth_asym_id_2 H _pdbx_validate_rmsd_angle.auth_comp_id_2 CYS _pdbx_validate_rmsd_angle.auth_seq_id_2 215 _pdbx_validate_rmsd_angle.PDB_ins_code_2 ? _pdbx_validate_rmsd_angle.label_alt_id_2 B _pdbx_validate_rmsd_angle.auth_atom_id_3 SG _pdbx_validate_rmsd_angle.auth_asym_id_3 H _pdbx_validate_rmsd_angle.auth_comp_id_3 CYS _pdbx_validate_rmsd_angle.auth_seq_id_3 215 _pdbx_validate_rmsd_angle.PDB_ins_code_3 ? _pdbx_validate_rmsd_angle.label_alt_id_3 B _pdbx_validate_rmsd_angle.angle_value 120.82 _pdbx_validate_rmsd_angle.angle_target_value 114.20 _pdbx_validate_rmsd_angle.angle_deviation 6.62 _pdbx_validate_rmsd_angle.angle_standard_deviation 1.10 _pdbx_validate_rmsd_angle.linker_flag 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 TYR H 118 ? ? -92.88 36.78 2 1 ARG L 54 ? ? 54.82 -129.67 3 1 ALA L 75 ? ? 69.22 -37.95 4 1 ALA L 108 ? ? 179.37 167.35 # _pdbx_distant_solvent_atoms.id 1 _pdbx_distant_solvent_atoms.PDB_model_num 1 _pdbx_distant_solvent_atoms.auth_atom_id O _pdbx_distant_solvent_atoms.label_alt_id ? _pdbx_distant_solvent_atoms.auth_asym_id H _pdbx_distant_solvent_atoms.auth_comp_id HOH _pdbx_distant_solvent_atoms.auth_seq_id 840 _pdbx_distant_solvent_atoms.PDB_ins_code ? _pdbx_distant_solvent_atoms.neighbor_macromolecule_distance 6.05 _pdbx_distant_solvent_atoms.neighbor_ligand_distance . # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 3 N-ACETYL-D-GLUCOSAMINE NAG 4 BETA-D-MANNOSE BMA 5 ALPHA-D-MANNOSE MAN 6 BETA-D-GALACTOSE GAL 7 ALPHA-L-FUCOSE FUC 8 'CHLORIDE ION' CL 9 water HOH #