diff --git "a/data/mmcif/129l.cif" "b/data/mmcif/129l.cif" deleted file mode 100644--- "a/data/mmcif/129l.cif" +++ /dev/null @@ -1,3666 +0,0 @@ -data_129L -# -_entry.id 129L -# -_audit_conform.dict_name mmcif_pdbx.dic -_audit_conform.dict_version 5.385 -_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic -# -loop_ -_database_2.database_id -_database_2.database_code -_database_2.pdbx_database_accession -_database_2.pdbx_DOI -PDB 129L pdb_0000129l 10.2210/pdb129l/pdb -WWPDB D_1000170068 ? ? -# -loop_ -_pdbx_audit_revision_history.ordinal -_pdbx_audit_revision_history.data_content_type -_pdbx_audit_revision_history.major_revision -_pdbx_audit_revision_history.minor_revision -_pdbx_audit_revision_history.revision_date -1 'Structure model' 1 0 1994-01-31 -2 'Structure model' 1 1 2008-03-24 -3 'Structure model' 1 2 2011-07-13 -4 'Structure model' 1 3 2017-11-29 -5 'Structure model' 1 4 2024-02-07 -# -_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 ? -_pdbx_audit_revision_details.details ? -# -loop_ -_pdbx_audit_revision_group.ordinal -_pdbx_audit_revision_group.revision_ordinal -_pdbx_audit_revision_group.data_content_type -_pdbx_audit_revision_group.group -1 2 'Structure model' 'Version format compliance' -2 3 'Structure model' 'Version format compliance' -3 4 'Structure model' 'Derived calculations' -4 4 'Structure model' Other -5 5 'Structure model' 'Data collection' -6 5 'Structure model' 'Database references' -7 5 'Structure model' 'Derived calculations' -# -loop_ -_pdbx_audit_revision_category.ordinal -_pdbx_audit_revision_category.revision_ordinal -_pdbx_audit_revision_category.data_content_type -_pdbx_audit_revision_category.category -1 4 'Structure model' pdbx_database_status -2 4 'Structure model' struct_conf -3 4 'Structure model' struct_conf_type -4 5 'Structure model' chem_comp_atom -5 5 'Structure model' chem_comp_bond -6 5 'Structure model' database_2 -7 5 'Structure model' struct_conn -8 5 'Structure model' struct_ref_seq_dif -9 5 'Structure model' struct_site -# -loop_ -_pdbx_audit_revision_item.ordinal -_pdbx_audit_revision_item.revision_ordinal -_pdbx_audit_revision_item.data_content_type -_pdbx_audit_revision_item.item -1 4 'Structure model' '_pdbx_database_status.process_site' -2 5 'Structure model' '_database_2.pdbx_DOI' -3 5 'Structure model' '_database_2.pdbx_database_accession' -4 5 'Structure model' '_struct_conn.pdbx_leaving_atom_flag' -5 5 'Structure model' '_struct_ref_seq_dif.details' -6 5 'Structure model' '_struct_site.pdbx_auth_asym_id' -7 5 'Structure model' '_struct_site.pdbx_auth_comp_id' -8 5 'Structure model' '_struct_site.pdbx_auth_seq_id' -# -_pdbx_database_status.status_code REL -_pdbx_database_status.entry_id 129L -_pdbx_database_status.recvd_initial_deposition_date 1993-05-28 -_pdbx_database_status.deposit_site ? -_pdbx_database_status.process_site BNL -_pdbx_database_status.SG_entry . -_pdbx_database_status.status_code_sf REL -_pdbx_database_status.pdb_format_compatible Y -_pdbx_database_status.status_code_mr ? -_pdbx_database_status.status_code_cs ? -_pdbx_database_status.methods_development_category ? -_pdbx_database_status.status_code_nmr_data ? -# -loop_ -_audit_author.name -_audit_author.pdbx_ordinal -'Pjura, P.' 1 -'Matthews, B.W.' 2 -# -loop_ -_citation.id -_citation.title -_citation.journal_abbrev -_citation.journal_volume -_citation.page_first -_citation.page_last -_citation.year -_citation.journal_id_ASTM -_citation.country -_citation.journal_id_ISSN -_citation.journal_id_CSD -_citation.book_publisher -_citation.pdbx_database_id_PubMed -_citation.pdbx_database_id_DOI -primary -;Structures of randomly generated mutants of T4 lysozyme show that protein stability can be enhanced by relaxation of strain and by improved hydrogen bonding via bound solvent. -; -'Protein Sci.' 2 2226 2232 1993 PRCIEI US 0961-8368 0795 ? 8298466 ? -1 'Development of an in Vivo Method to Identify Mutants of Phage T4 Lysozyme of Enhanced Thermostability' 'To be Published' -? ? ? ? ? ? ? 0353 ? ? ? -# -loop_ -_citation_author.citation_id -_citation_author.name -_citation_author.ordinal -_citation_author.identifier_ORCID -primary 'Pjura, P.' 1 ? -primary 'Matthews, B.W.' 2 ? -1 'Pjura, P.' 3 ? -1 'Matsumura, M.' 4 ? -1 'Baase, W.A.' 5 ? -1 'Matthews, B.W.' 6 ? -# -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 'T4 LYSOZYME' 18658.389 1 3.2.1.17 ? ? ? -2 non-polymer syn 'CHLORIDE ION' 35.453 2 ? ? ? ? -3 non-polymer syn BETA-MERCAPTOETHANOL 78.133 2 ? ? ? ? -4 water nat water 18.015 159 ? ? ? ? -# -_entity_poly.entity_id 1 -_entity_poly.type 'polypeptide(L)' -_entity_poly.nstd_linkage no -_entity_poly.nstd_monomer no -_entity_poly.pdbx_seq_one_letter_code -;MNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILR -NAKLKPVYDSLDTVRRAALINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDA -YKNL -; -_entity_poly.pdbx_seq_one_letter_code_can -;MNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILR -NAKLKPVYDSLDTVRRAALINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDA -YKNL -; -_entity_poly.pdbx_strand_id A -_entity_poly.pdbx_target_identifier ? -# -loop_ -_pdbx_entity_nonpoly.entity_id -_pdbx_entity_nonpoly.name -_pdbx_entity_nonpoly.comp_id -2 'CHLORIDE ION' CL -3 BETA-MERCAPTOETHANOL BME -4 water HOH -# -loop_ -_entity_poly_seq.entity_id -_entity_poly_seq.num -_entity_poly_seq.mon_id -_entity_poly_seq.hetero -1 1 MET n -1 2 ASN n -1 3 ILE n -1 4 PHE n -1 5 GLU n -1 6 MET n -1 7 LEU n -1 8 ARG n -1 9 ILE n -1 10 ASP n -1 11 GLU n -1 12 GLY n -1 13 LEU n -1 14 ARG n -1 15 LEU n -1 16 LYS n -1 17 ILE n -1 18 TYR n -1 19 LYS n -1 20 ASP n -1 21 THR n -1 22 GLU n -1 23 GLY n -1 24 TYR n -1 25 TYR n -1 26 THR n -1 27 ILE n -1 28 GLY n -1 29 ILE n -1 30 GLY n -1 31 HIS n -1 32 LEU n -1 33 LEU n -1 34 THR n -1 35 LYS n -1 36 SER n -1 37 PRO n -1 38 SER n -1 39 LEU n -1 40 ASN n -1 41 ALA n -1 42 ALA n -1 43 LYS n -1 44 SER n -1 45 GLU n -1 46 LEU n -1 47 ASP n -1 48 LYS n -1 49 ALA n -1 50 ILE n -1 51 GLY n -1 52 ARG n -1 53 ASN n -1 54 THR n -1 55 ASN n -1 56 GLY n -1 57 VAL n -1 58 ILE n -1 59 THR n -1 60 LYS n -1 61 ASP n -1 62 GLU n -1 63 ALA n -1 64 GLU n -1 65 LYS n -1 66 LEU n -1 67 PHE n -1 68 ASN n -1 69 GLN n -1 70 ASP n -1 71 VAL n -1 72 ASP n -1 73 ALA n -1 74 ALA n -1 75 VAL n -1 76 ARG n -1 77 GLY n -1 78 ILE n -1 79 LEU n -1 80 ARG n -1 81 ASN n -1 82 ALA n -1 83 LYS n -1 84 LEU n -1 85 LYS n -1 86 PRO n -1 87 VAL n -1 88 TYR n -1 89 ASP n -1 90 SER n -1 91 LEU n -1 92 ASP n -1 93 THR n -1 94 VAL n -1 95 ARG n -1 96 ARG n -1 97 ALA n -1 98 ALA n -1 99 LEU n -1 100 ILE n -1 101 ASN n -1 102 MET n -1 103 VAL n -1 104 PHE n -1 105 GLN n -1 106 MET n -1 107 GLY n -1 108 GLU n -1 109 THR n -1 110 GLY n -1 111 VAL n -1 112 ALA n -1 113 GLY n -1 114 PHE n -1 115 THR n -1 116 ASN n -1 117 SER n -1 118 LEU n -1 119 ARG n -1 120 MET n -1 121 LEU n -1 122 GLN n -1 123 GLN n -1 124 LYS n -1 125 ARG n -1 126 TRP n -1 127 ASP n -1 128 GLU n -1 129 ALA n -1 130 ALA n -1 131 VAL n -1 132 ASN n -1 133 LEU n -1 134 ALA n -1 135 LYS n -1 136 SER n -1 137 ARG n -1 138 TRP n -1 139 TYR n -1 140 ASN n -1 141 GLN n -1 142 THR n -1 143 PRO n -1 144 ASN n -1 145 ARG n -1 146 ALA n -1 147 LYS n -1 148 ARG n -1 149 VAL n -1 150 ILE n -1 151 THR n -1 152 THR n -1 153 PHE n -1 154 ARG n -1 155 THR n -1 156 GLY n -1 157 THR n -1 158 TRP n -1 159 ASP n -1 160 ALA n -1 161 TYR n -1 162 LYS n -1 163 ASN n -1 164 LEU n -# -_entity_src_gen.entity_id 1 -_entity_src_gen.pdbx_src_id 1 -_entity_src_gen.pdbx_alt_source_flag sample -_entity_src_gen.pdbx_seq_type ? -_entity_src_gen.pdbx_beg_seq_num ? -_entity_src_gen.pdbx_end_seq_num ? -_entity_src_gen.gene_src_common_name ? -_entity_src_gen.gene_src_genus 'T4-like viruses' -_entity_src_gen.pdbx_gene_src_gene ? -_entity_src_gen.gene_src_species 'Enterobacteria phage T4 sensu lato' -_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 'Enterobacteria phage T4' -_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 10665 -_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 PLASMID -_entity_src_gen.pdbx_host_org_vector ? -_entity_src_gen.host_org_details ? -_entity_src_gen.expression_system_id ? -_entity_src_gen.plasmid_name M13 -_entity_src_gen.plasmid_details ? -_entity_src_gen.pdbx_description ? -# -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 -BME non-polymer . BETA-MERCAPTOETHANOL ? 'C2 H6 O S' 78.133 -CL non-polymer . 'CHLORIDE ION' ? 'Cl -1' 35.453 -CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 -GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 -GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 -GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 -HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 -HOH non-polymer . WATER ? 'H2 O' 18.015 -ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 -LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 -LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 -MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 -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 -# -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 MET 1 1 1 MET MET A . n -A 1 2 ASN 2 2 2 ASN ASN A . n -A 1 3 ILE 3 3 3 ILE ILE A . n -A 1 4 PHE 4 4 4 PHE PHE A . n -A 1 5 GLU 5 5 5 GLU GLU A . n -A 1 6 MET 6 6 6 MET MET A . n -A 1 7 LEU 7 7 7 LEU LEU A . n -A 1 8 ARG 8 8 8 ARG ARG A . n -A 1 9 ILE 9 9 9 ILE ILE A . n -A 1 10 ASP 10 10 10 ASP ASP A . n -A 1 11 GLU 11 11 11 GLU GLU A . n -A 1 12 GLY 12 12 12 GLY GLY A . n -A 1 13 LEU 13 13 13 LEU LEU A . n -A 1 14 ARG 14 14 14 ARG ARG A . n -A 1 15 LEU 15 15 15 LEU LEU A . n -A 1 16 LYS 16 16 16 LYS LYS A . n -A 1 17 ILE 17 17 17 ILE ILE A . n -A 1 18 TYR 18 18 18 TYR TYR A . n -A 1 19 LYS 19 19 19 LYS LYS A . n -A 1 20 ASP 20 20 20 ASP ASP A . n -A 1 21 THR 21 21 21 THR THR A . n -A 1 22 GLU 22 22 22 GLU GLU A . n -A 1 23 GLY 23 23 23 GLY GLY A . n -A 1 24 TYR 24 24 24 TYR TYR A . n -A 1 25 TYR 25 25 25 TYR TYR A . n -A 1 26 THR 26 26 26 THR THR A . n -A 1 27 ILE 27 27 27 ILE ILE A . n -A 1 28 GLY 28 28 28 GLY GLY A . n -A 1 29 ILE 29 29 29 ILE ILE A . n -A 1 30 GLY 30 30 30 GLY GLY A . n -A 1 31 HIS 31 31 31 HIS HIS A . n -A 1 32 LEU 32 32 32 LEU LEU A . n -A 1 33 LEU 33 33 33 LEU LEU A . n -A 1 34 THR 34 34 34 THR THR A . n -A 1 35 LYS 35 35 35 LYS LYS A . n -A 1 36 SER 36 36 36 SER SER A . n -A 1 37 PRO 37 37 37 PRO PRO A . n -A 1 38 SER 38 38 38 SER SER A . n -A 1 39 LEU 39 39 39 LEU LEU A . n -A 1 40 ASN 40 40 40 ASN ASN A . n -A 1 41 ALA 41 41 41 ALA ALA A . n -A 1 42 ALA 42 42 42 ALA ALA A . n -A 1 43 LYS 43 43 43 LYS LYS A . n -A 1 44 SER 44 44 44 SER SER A . n -A 1 45 GLU 45 45 45 GLU GLU A . n -A 1 46 LEU 46 46 46 LEU LEU A . n -A 1 47 ASP 47 47 47 ASP ASP A . n -A 1 48 LYS 48 48 48 LYS LYS A . n -A 1 49 ALA 49 49 49 ALA ALA A . n -A 1 50 ILE 50 50 50 ILE ILE A . n -A 1 51 GLY 51 51 51 GLY GLY A . n -A 1 52 ARG 52 52 52 ARG ARG A . n -A 1 53 ASN 53 53 53 ASN ASN A . n -A 1 54 THR 54 54 54 THR THR A . n -A 1 55 ASN 55 55 55 ASN ASN A . n -A 1 56 GLY 56 56 56 GLY GLY A . n -A 1 57 VAL 57 57 57 VAL VAL A . n -A 1 58 ILE 58 58 58 ILE ILE A . n -A 1 59 THR 59 59 59 THR THR A . n -A 1 60 LYS 60 60 60 LYS LYS A . n -A 1 61 ASP 61 61 61 ASP ASP A . n -A 1 62 GLU 62 62 62 GLU GLU A . n -A 1 63 ALA 63 63 63 ALA ALA A . n -A 1 64 GLU 64 64 64 GLU GLU A . n -A 1 65 LYS 65 65 65 LYS LYS A . n -A 1 66 LEU 66 66 66 LEU LEU A . n -A 1 67 PHE 67 67 67 PHE PHE A . n -A 1 68 ASN 68 68 68 ASN ASN A . n -A 1 69 GLN 69 69 69 GLN GLN A . n -A 1 70 ASP 70 70 70 ASP ASP A . n -A 1 71 VAL 71 71 71 VAL VAL A . n -A 1 72 ASP 72 72 72 ASP ASP A . n -A 1 73 ALA 73 73 73 ALA ALA A . n -A 1 74 ALA 74 74 74 ALA ALA A . n -A 1 75 VAL 75 75 75 VAL VAL A . n -A 1 76 ARG 76 76 76 ARG ARG A . n -A 1 77 GLY 77 77 77 GLY GLY A . n -A 1 78 ILE 78 78 78 ILE ILE A . n -A 1 79 LEU 79 79 79 LEU LEU A . n -A 1 80 ARG 80 80 80 ARG ARG A . n -A 1 81 ASN 81 81 81 ASN ASN A . n -A 1 82 ALA 82 82 82 ALA ALA A . n -A 1 83 LYS 83 83 83 LYS LYS A . n -A 1 84 LEU 84 84 84 LEU LEU A . n -A 1 85 LYS 85 85 85 LYS LYS A . n -A 1 86 PRO 86 86 86 PRO PRO A . n -A 1 87 VAL 87 87 87 VAL VAL A . n -A 1 88 TYR 88 88 88 TYR TYR A . n -A 1 89 ASP 89 89 89 ASP ASP A . n -A 1 90 SER 90 90 90 SER SER A . n -A 1 91 LEU 91 91 91 LEU LEU A . n -A 1 92 ASP 92 92 92 ASP ASP A . n -A 1 93 THR 93 93 93 THR THR A . n -A 1 94 VAL 94 94 94 VAL VAL A . n -A 1 95 ARG 95 95 95 ARG ARG A . n -A 1 96 ARG 96 96 96 ARG ARG A . n -A 1 97 ALA 97 97 97 ALA ALA A . n -A 1 98 ALA 98 98 98 ALA ALA A . n -A 1 99 LEU 99 99 99 LEU LEU A . n -A 1 100 ILE 100 100 100 ILE ILE A . n -A 1 101 ASN 101 101 101 ASN ASN A . n -A 1 102 MET 102 102 102 MET MET A . n -A 1 103 VAL 103 103 103 VAL VAL A . n -A 1 104 PHE 104 104 104 PHE PHE A . n -A 1 105 GLN 105 105 105 GLN GLN A . n -A 1 106 MET 106 106 106 MET MET A . n -A 1 107 GLY 107 107 107 GLY GLY A . n -A 1 108 GLU 108 108 108 GLU GLU A . n -A 1 109 THR 109 109 109 THR THR A . n -A 1 110 GLY 110 110 110 GLY GLY A . n -A 1 111 VAL 111 111 111 VAL VAL A . n -A 1 112 ALA 112 112 112 ALA ALA A . n -A 1 113 GLY 113 113 113 GLY GLY A . n -A 1 114 PHE 114 114 114 PHE PHE A . n -A 1 115 THR 115 115 115 THR THR A . n -A 1 116 ASN 116 116 116 ASN ASN A . n -A 1 117 SER 117 117 117 SER SER A . n -A 1 118 LEU 118 118 118 LEU LEU A . n -A 1 119 ARG 119 119 119 ARG ARG A . n -A 1 120 MET 120 120 120 MET MET A . n -A 1 121 LEU 121 121 121 LEU LEU A . n -A 1 122 GLN 122 122 122 GLN GLN A . n -A 1 123 GLN 123 123 123 GLN GLN A . n -A 1 124 LYS 124 124 124 LYS LYS A . n -A 1 125 ARG 125 125 125 ARG ARG A . n -A 1 126 TRP 126 126 126 TRP TRP A . n -A 1 127 ASP 127 127 127 ASP ASP A . n -A 1 128 GLU 128 128 128 GLU GLU A . n -A 1 129 ALA 129 129 129 ALA ALA A . n -A 1 130 ALA 130 130 130 ALA ALA A . n -A 1 131 VAL 131 131 131 VAL VAL A . n -A 1 132 ASN 132 132 132 ASN ASN A . n -A 1 133 LEU 133 133 133 LEU LEU A . n -A 1 134 ALA 134 134 134 ALA ALA A . n -A 1 135 LYS 135 135 135 LYS LYS A . n -A 1 136 SER 136 136 136 SER SER A . n -A 1 137 ARG 137 137 137 ARG ARG A . n -A 1 138 TRP 138 138 138 TRP TRP A . n -A 1 139 TYR 139 139 139 TYR TYR A . n -A 1 140 ASN 140 140 140 ASN ASN A . n -A 1 141 GLN 141 141 141 GLN GLN A . n -A 1 142 THR 142 142 142 THR THR A . n -A 1 143 PRO 143 143 143 PRO PRO A . n -A 1 144 ASN 144 144 144 ASN ASN A . n -A 1 145 ARG 145 145 145 ARG ARG A . n -A 1 146 ALA 146 146 146 ALA ALA A . n -A 1 147 LYS 147 147 147 LYS LYS A . n -A 1 148 ARG 148 148 148 ARG ARG A . n -A 1 149 VAL 149 149 149 VAL VAL A . n -A 1 150 ILE 150 150 150 ILE ILE A . n -A 1 151 THR 151 151 151 THR THR A . n -A 1 152 THR 152 152 152 THR THR A . n -A 1 153 PHE 153 153 153 PHE PHE A . n -A 1 154 ARG 154 154 154 ARG ARG A . n -A 1 155 THR 155 155 155 THR THR A . n -A 1 156 GLY 156 156 156 GLY GLY A . n -A 1 157 THR 157 157 157 THR THR A . n -A 1 158 TRP 158 158 158 TRP TRP A . n -A 1 159 ASP 159 159 159 ASP ASP A . n -A 1 160 ALA 160 160 160 ALA ALA A . n -A 1 161 TYR 161 161 161 TYR TYR A . n -A 1 162 LYS 162 162 162 LYS LYS A . n -A 1 163 ASN 163 163 ? ? ? A . n -A 1 164 LEU 164 164 ? ? ? A . n -# -loop_ -_pdbx_nonpoly_scheme.asym_id -_pdbx_nonpoly_scheme.entity_id -_pdbx_nonpoly_scheme.mon_id -_pdbx_nonpoly_scheme.ndb_seq_num -_pdbx_nonpoly_scheme.pdb_seq_num -_pdbx_nonpoly_scheme.auth_seq_num -_pdbx_nonpoly_scheme.pdb_mon_id -_pdbx_nonpoly_scheme.auth_mon_id -_pdbx_nonpoly_scheme.pdb_strand_id -_pdbx_nonpoly_scheme.pdb_ins_code -B 2 CL 1 173 173 CL CL A . -C 2 CL 1 178 178 CL CL A . -D 3 BME 1 901 901 BME SEO A . -E 3 BME 1 902 902 BME SEO A . -F 4 HOH 1 171 171 HOH HOH A . -F 4 HOH 2 172 172 HOH HOH A . -F 4 HOH 3 174 174 HOH HOH A . -F 4 HOH 4 175 175 HOH HOH A . -F 4 HOH 5 177 177 HOH HOH A . -F 4 HOH 6 179 179 HOH HOH A . -F 4 HOH 7 180 180 HOH HOH A . -F 4 HOH 8 181 181 HOH HOH A . -F 4 HOH 9 182 182 HOH HOH A . -F 4 HOH 10 183 183 HOH HOH A . -F 4 HOH 11 184 184 HOH HOH A . -F 4 HOH 12 185 185 HOH HOH A . -F 4 HOH 13 186 186 HOH HOH A . -F 4 HOH 14 188 188 HOH HOH A . -F 4 HOH 15 189 189 HOH HOH A . -F 4 HOH 16 190 190 HOH HOH A . -F 4 HOH 17 191 191 HOH HOH A . -F 4 HOH 18 192 192 HOH HOH A . -F 4 HOH 19 193 193 HOH HOH A . -F 4 HOH 20 194 194 HOH HOH A . -F 4 HOH 21 195 195 HOH HOH A . -F 4 HOH 22 196 196 HOH HOH A . -F 4 HOH 23 197 197 HOH HOH A . -F 4 HOH 24 198 198 HOH HOH A . -F 4 HOH 25 200 200 HOH HOH A . -F 4 HOH 26 201 201 HOH HOH A . -F 4 HOH 27 202 202 HOH HOH A . -F 4 HOH 28 203 203 HOH HOH A . -F 4 HOH 29 204 204 HOH HOH A . -F 4 HOH 30 206 206 HOH HOH A . -F 4 HOH 31 207 207 HOH HOH A . -F 4 HOH 32 208 208 HOH HOH A . -F 4 HOH 33 209 209 HOH HOH A . -F 4 HOH 34 210 210 HOH HOH A . -F 4 HOH 35 211 211 HOH HOH A . -F 4 HOH 36 212 212 HOH HOH A . -F 4 HOH 37 213 213 HOH HOH A . -F 4 HOH 38 214 214 HOH HOH A . -F 4 HOH 39 215 215 HOH HOH A . -F 4 HOH 40 216 216 HOH HOH A . -F 4 HOH 41 217 217 HOH HOH A . -F 4 HOH 42 218 218 HOH HOH A . -F 4 HOH 43 219 219 HOH HOH A . -F 4 HOH 44 220 220 HOH HOH A . -F 4 HOH 45 222 222 HOH HOH A . -F 4 HOH 46 223 223 HOH HOH A . -F 4 HOH 47 224 224 HOH HOH A . -F 4 HOH 48 225 225 HOH HOH A . -F 4 HOH 49 227 227 HOH HOH A . -F 4 HOH 50 228 228 HOH HOH A . -F 4 HOH 51 229 229 HOH HOH A . -F 4 HOH 52 230 230 HOH HOH A . -F 4 HOH 53 231 231 HOH HOH A . -F 4 HOH 54 232 232 HOH HOH A . -F 4 HOH 55 233 233 HOH HOH A . -F 4 HOH 56 234 234 HOH HOH A . -F 4 HOH 57 235 235 HOH HOH A . -F 4 HOH 58 236 236 HOH HOH A . -F 4 HOH 59 237 237 HOH HOH A . -F 4 HOH 60 238 238 HOH HOH A . -F 4 HOH 61 239 239 HOH HOH A . -F 4 HOH 62 240 240 HOH HOH A . -F 4 HOH 63 242 242 HOH HOH A . -F 4 HOH 64 244 244 HOH HOH A . -F 4 HOH 65 245 245 HOH HOH A . -F 4 HOH 66 246 246 HOH HOH A . -F 4 HOH 67 247 247 HOH HOH A . -F 4 HOH 68 248 248 HOH HOH A . -F 4 HOH 69 249 249 HOH HOH A . -F 4 HOH 70 250 250 HOH HOH A . -F 4 HOH 71 251 251 HOH HOH A . -F 4 HOH 72 253 253 HOH HOH A . -F 4 HOH 73 254 254 HOH HOH A . -F 4 HOH 74 256 256 HOH HOH A . -F 4 HOH 75 257 257 HOH HOH A . -F 4 HOH 76 259 259 HOH HOH A . -F 4 HOH 77 260 260 HOH HOH A . -F 4 HOH 78 262 262 HOH HOH A . -F 4 HOH 79 263 263 HOH HOH A . -F 4 HOH 80 266 266 HOH HOH A . -F 4 HOH 81 267 267 HOH HOH A . -F 4 HOH 82 268 268 HOH HOH A . -F 4 HOH 83 269 269 HOH HOH A . -F 4 HOH 84 270 270 HOH HOH A . -F 4 HOH 85 272 272 HOH HOH A . -F 4 HOH 86 273 273 HOH HOH A . -F 4 HOH 87 274 274 HOH HOH A . -F 4 HOH 88 275 275 HOH HOH A . -F 4 HOH 89 277 277 HOH HOH A . -F 4 HOH 90 278 278 HOH HOH A . -F 4 HOH 91 280 280 HOH HOH A . -F 4 HOH 92 281 281 HOH HOH A . -F 4 HOH 93 283 283 HOH HOH A . -F 4 HOH 94 286 286 HOH HOH A . -F 4 HOH 95 288 288 HOH HOH A . -F 4 HOH 96 289 289 HOH HOH A . -F 4 HOH 97 291 291 HOH HOH A . -F 4 HOH 98 292 292 HOH HOH A . -F 4 HOH 99 293 293 HOH HOH A . -F 4 HOH 100 294 294 HOH HOH A . -F 4 HOH 101 295 295 HOH HOH A . -F 4 HOH 102 296 296 HOH HOH A . -F 4 HOH 103 297 297 HOH HOH A . -F 4 HOH 104 298 298 HOH HOH A . -F 4 HOH 105 299 299 HOH HOH A . -F 4 HOH 106 300 300 HOH HOH A . -F 4 HOH 107 301 301 HOH HOH A . -F 4 HOH 108 302 302 HOH HOH A . -F 4 HOH 109 303 303 HOH HOH A . -F 4 HOH 110 304 304 HOH HOH A . -F 4 HOH 111 306 306 HOH HOH A . -F 4 HOH 112 308 308 HOH HOH A . -F 4 HOH 113 309 309 HOH HOH A . -F 4 HOH 114 311 311 HOH HOH A . -F 4 HOH 115 312 312 HOH HOH A . -F 4 HOH 116 313 313 HOH HOH A . -F 4 HOH 117 314 314 HOH HOH A . -F 4 HOH 118 316 316 HOH HOH A . -F 4 HOH 119 318 318 HOH HOH A . -F 4 HOH 120 321 321 HOH HOH A . -F 4 HOH 121 322 322 HOH HOH A . -F 4 HOH 122 323 323 HOH HOH A . -F 4 HOH 123 324 324 HOH HOH A . -F 4 HOH 124 325 325 HOH HOH A . -F 4 HOH 125 326 326 HOH HOH A . -F 4 HOH 126 327 327 HOH HOH A . -F 4 HOH 127 328 328 HOH HOH A . -F 4 HOH 128 329 329 HOH HOH A . -F 4 HOH 129 331 331 HOH HOH A . -F 4 HOH 130 332 332 HOH HOH A . -F 4 HOH 131 333 333 HOH HOH A . -F 4 HOH 132 334 334 HOH HOH A . -F 4 HOH 133 335 335 HOH HOH A . -F 4 HOH 134 336 336 HOH HOH A . -F 4 HOH 135 338 338 HOH HOH A . -F 4 HOH 136 339 339 HOH HOH A . -F 4 HOH 137 340 340 HOH HOH A . -F 4 HOH 138 341 341 HOH HOH A . -F 4 HOH 139 342 342 HOH HOH A . -F 4 HOH 140 343 343 HOH HOH A . -F 4 HOH 141 344 344 HOH HOH A . -F 4 HOH 142 345 345 HOH HOH A . -F 4 HOH 143 346 346 HOH HOH A . -F 4 HOH 144 347 347 HOH HOH A . -F 4 HOH 145 348 348 HOH HOH A . -F 4 HOH 146 349 349 HOH HOH A . -F 4 HOH 147 350 350 HOH HOH A . -F 4 HOH 148 351 351 HOH HOH A . -F 4 HOH 149 353 353 HOH HOH A . -F 4 HOH 150 354 354 HOH HOH A . -F 4 HOH 151 355 355 HOH HOH A . -F 4 HOH 152 356 356 HOH HOH A . -F 4 HOH 153 358 358 HOH HOH A . -F 4 HOH 154 360 360 HOH HOH A . -F 4 HOH 155 361 361 HOH HOH A . -F 4 HOH 156 364 364 HOH HOH A . -F 4 HOH 157 366 366 HOH HOH A . -F 4 HOH 158 367 367 HOH HOH A . -F 4 HOH 159 368 368 HOH HOH A . -# -_software.name TNT -_software.classification refinement -_software.version . -_software.citation_id ? -_software.pdbx_ordinal 1 -# -_cell.entry_id 129L -_cell.length_a 61.000 -_cell.length_b 61.000 -_cell.length_c 97.000 -_cell.angle_alpha 90.00 -_cell.angle_beta 90.00 -_cell.angle_gamma 120.00 -_cell.Z_PDB 6 -_cell.pdbx_unique_axis ? -# -_symmetry.entry_id 129L -_symmetry.space_group_name_H-M 'P 32 2 1' -_symmetry.pdbx_full_space_group_name_H-M ? -_symmetry.cell_setting ? -_symmetry.Int_Tables_number 154 -# -_exptl.entry_id 129L -_exptl.method 'X-RAY DIFFRACTION' -_exptl.crystals_number ? -# -_exptl_crystal.id 1 -_exptl_crystal.density_meas ? -_exptl_crystal.density_Matthews 2.79 -_exptl_crystal.density_percent_sol 55.94 -_exptl_crystal.description ? -# -_diffrn.id 1 -_diffrn.ambient_temp ? -_diffrn.ambient_temp_details ? -_diffrn.crystal_id 1 -# -_diffrn_radiation.diffrn_id 1 -_diffrn_radiation.wavelength_id 1 -_diffrn_radiation.pdbx_monochromatic_or_laue_m_l ? -_diffrn_radiation.monochromator ? -_diffrn_radiation.pdbx_diffrn_protocol ? -_diffrn_radiation.pdbx_scattering_type x-ray -# -_diffrn_radiation_wavelength.id 1 -_diffrn_radiation_wavelength.wavelength . -_diffrn_radiation_wavelength.wt 1.0 -# -_refine.entry_id 129L -_refine.ls_number_reflns_obs ? -_refine.ls_number_reflns_all ? -_refine.pdbx_ls_sigma_I ? -_refine.pdbx_ls_sigma_F ? -_refine.pdbx_data_cutoff_high_absF ? -_refine.pdbx_data_cutoff_low_absF ? -_refine.pdbx_data_cutoff_high_rms_absF ? -_refine.ls_d_res_low ? -_refine.ls_d_res_high 1.7 -_refine.ls_percent_reflns_obs ? -_refine.ls_R_factor_obs 0.165 -_refine.ls_R_factor_all ? -_refine.ls_R_factor_R_work ? -_refine.ls_R_factor_R_free ? -_refine.ls_R_factor_R_free_error ? -_refine.ls_R_factor_R_free_error_details ? -_refine.ls_percent_reflns_R_free ? -_refine.ls_number_reflns_R_free ? -_refine.ls_number_parameters ? -_refine.ls_number_restraints ? -_refine.occupancy_min ? -_refine.occupancy_max ? -_refine.B_iso_mean ? -_refine.aniso_B[1][1] ? -_refine.aniso_B[2][2] ? -_refine.aniso_B[3][3] ? -_refine.aniso_B[1][2] ? -_refine.aniso_B[1][3] ? -_refine.aniso_B[2][3] ? -_refine.solvent_model_details ? -_refine.solvent_model_param_ksol ? -_refine.solvent_model_param_bsol ? -_refine.pdbx_ls_cross_valid_method ? -_refine.details -;RESIDUES 162 - 164 IN WILD-TYPE AND ALL MUTANT LYSOZYMES -ARE EXTREMELY MOBILE. THUS THE COORDINATES FOR THESE -RESIDUES ARE VERY UNRELIABLE. THIS ENTRY DOES NOT INCLUDE -RESIDUES 163 AND 164. -; -_refine.pdbx_starting_model ? -_refine.pdbx_method_to_determine_struct ? -_refine.pdbx_isotropic_thermal_model ? -_refine.pdbx_stereochemistry_target_values ? -_refine.pdbx_stereochem_target_val_spec_case ? -_refine.pdbx_R_Free_selection_details ? -_refine.pdbx_overall_ESU_R ? -_refine.pdbx_overall_ESU_R_Free ? -_refine.overall_SU_ML ? -_refine.overall_SU_B ? -_refine.pdbx_refine_id 'X-RAY DIFFRACTION' -_refine.pdbx_diffrn_id 1 -_refine.pdbx_TLS_residual_ADP_flag ? -_refine.correlation_coeff_Fo_to_Fc ? -_refine.correlation_coeff_Fo_to_Fc_free ? -_refine.pdbx_solvent_vdw_probe_radii ? -_refine.pdbx_solvent_ion_probe_radii ? -_refine.pdbx_solvent_shrinkage_radii ? -_refine.pdbx_overall_phase_error ? -_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 1294 -_refine_hist.pdbx_number_atoms_nucleic_acid 0 -_refine_hist.pdbx_number_atoms_ligand 10 -_refine_hist.number_atoms_solvent 159 -_refine_hist.number_atoms_total 1463 -_refine_hist.d_res_high 1.7 -_refine_hist.d_res_low . -# -loop_ -_refine_ls_restr.type -_refine_ls_restr.dev_ideal -_refine_ls_restr.dev_ideal_target -_refine_ls_restr.weight -_refine_ls_restr.number -_refine_ls_restr.pdbx_refine_id -_refine_ls_restr.pdbx_restraint_function -t_bond_d 0.017 ? ? ? 'X-RAY DIFFRACTION' ? -t_angle_deg 2.7 ? ? ? 'X-RAY DIFFRACTION' ? -t_dihedral_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ? -t_incorr_chiral_ct ? ? ? ? 'X-RAY DIFFRACTION' ? -t_pseud_angle ? ? ? ? 'X-RAY DIFFRACTION' ? -t_trig_c_planes ? ? ? ? 'X-RAY DIFFRACTION' ? -t_gen_planes ? ? ? ? 'X-RAY DIFFRACTION' ? -t_it ? ? ? ? 'X-RAY DIFFRACTION' ? -t_nbd ? ? ? ? 'X-RAY DIFFRACTION' ? -# -_database_PDB_matrix.entry_id 129L -_database_PDB_matrix.origx[1][1] 1.000000 -_database_PDB_matrix.origx[1][2] 0.000000 -_database_PDB_matrix.origx[1][3] 0.000000 -_database_PDB_matrix.origx[2][1] 0.000000 -_database_PDB_matrix.origx[2][2] 1.000000 -_database_PDB_matrix.origx[2][3] 0.000000 -_database_PDB_matrix.origx[3][1] 0.000000 -_database_PDB_matrix.origx[3][2] 0.000000 -_database_PDB_matrix.origx[3][3] 1.000000 -_database_PDB_matrix.origx_vector[1] 0.00000 -_database_PDB_matrix.origx_vector[2] 0.00000 -_database_PDB_matrix.origx_vector[3] 0.00000 -# -_struct.entry_id 129L -_struct.title -;STRUCTURES OF RANDOMLY GENERATED MUTANTS OF T4 LYSOZYME SHOW THAT PROTEIN STABILITY CAN BE ENHANCED BY RELAXATION OF STRAIN AND BY IMPROVED HYDROGEN BONDING VIA BOUND SOLVENT -; -_struct.pdbx_model_details ? -_struct.pdbx_CASP_flag ? -_struct.pdbx_model_type_details ? -# -_struct_keywords.entry_id 129L -_struct_keywords.pdbx_keywords 'HYDROLASE(O-GLYCOSYL)' -_struct_keywords.text 'HYDROLASE(O-GLYCOSYL)' -# -loop_ -_struct_asym.id -_struct_asym.pdbx_blank_PDB_chainid_flag -_struct_asym.pdbx_modified -_struct_asym.entity_id -_struct_asym.details -A N N 1 ? -B N N 2 ? -C N N 2 ? -D N N 3 ? -E N N 3 ? -F N N 4 ? -# -_struct_ref.id 1 -_struct_ref.db_name UNP -_struct_ref.db_code LYCV_BPT4 -_struct_ref.entity_id 1 -_struct_ref.pdbx_db_accession P00720 -_struct_ref.pdbx_align_begin 1 -_struct_ref.pdbx_seq_one_letter_code -;MNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNCNGVITKDEAEKLFNQDVDAAVRGILR -NAKLKPVYDSLDAVRRCALINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDA -YKNL -; -_struct_ref.pdbx_db_isoform ? -# -_struct_ref_seq.align_id 1 -_struct_ref_seq.ref_id 1 -_struct_ref_seq.pdbx_PDB_id_code 129L -_struct_ref_seq.pdbx_strand_id A -_struct_ref_seq.seq_align_beg 1 -_struct_ref_seq.pdbx_seq_align_beg_ins_code ? -_struct_ref_seq.seq_align_end 164 -_struct_ref_seq.pdbx_seq_align_end_ins_code ? -_struct_ref_seq.pdbx_db_accession P00720 -_struct_ref_seq.db_align_beg 1 -_struct_ref_seq.pdbx_db_align_beg_ins_code ? -_struct_ref_seq.db_align_end 164 -_struct_ref_seq.pdbx_db_align_end_ins_code ? -_struct_ref_seq.pdbx_auth_seq_align_beg 1 -_struct_ref_seq.pdbx_auth_seq_align_end 164 -# -loop_ -_struct_ref_seq_dif.align_id -_struct_ref_seq_dif.pdbx_pdb_id_code -_struct_ref_seq_dif.mon_id -_struct_ref_seq_dif.pdbx_pdb_strand_id -_struct_ref_seq_dif.seq_num -_struct_ref_seq_dif.pdbx_pdb_ins_code -_struct_ref_seq_dif.pdbx_seq_db_name -_struct_ref_seq_dif.pdbx_seq_db_accession_code -_struct_ref_seq_dif.db_mon_id -_struct_ref_seq_dif.pdbx_seq_db_seq_num -_struct_ref_seq_dif.details -_struct_ref_seq_dif.pdbx_auth_seq_num -_struct_ref_seq_dif.pdbx_ordinal -1 129L THR A 54 ? UNP P00720 CYS 54 conflict 54 1 -1 129L THR A 93 ? UNP P00720 ALA 93 conflict 93 2 -1 129L ALA A 97 ? UNP P00720 CYS 97 conflict 97 3 -# -_pdbx_struct_assembly.id 1 -_pdbx_struct_assembly.details author_defined_assembly -_pdbx_struct_assembly.method_details ? -_pdbx_struct_assembly.oligomeric_details monomeric -_pdbx_struct_assembly.oligomeric_count 1 -# -_pdbx_struct_assembly_gen.assembly_id 1 -_pdbx_struct_assembly_gen.oper_expression 1 -_pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F -# -_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 -# -_struct_biol.id 1 -# -loop_ -_struct_conf.conf_type_id -_struct_conf.id -_struct_conf.pdbx_PDB_helix_id -_struct_conf.beg_label_comp_id -_struct_conf.beg_label_asym_id -_struct_conf.beg_label_seq_id -_struct_conf.pdbx_beg_PDB_ins_code -_struct_conf.end_label_comp_id -_struct_conf.end_label_asym_id -_struct_conf.end_label_seq_id -_struct_conf.pdbx_end_PDB_ins_code -_struct_conf.beg_auth_comp_id -_struct_conf.beg_auth_asym_id -_struct_conf.beg_auth_seq_id -_struct_conf.end_auth_comp_id -_struct_conf.end_auth_asym_id -_struct_conf.end_auth_seq_id -_struct_conf.pdbx_PDB_helix_class -_struct_conf.details -_struct_conf.pdbx_PDB_helix_length -HELX_P HELX_P1 H1 ILE A 3 ? GLU A 11 ? ILE A 3 GLU A 11 1 ? 9 -HELX_P HELX_P2 H2 LEU A 39 ? ILE A 50 ? LEU A 39 ILE A 50 1 ? 12 -HELX_P HELX_P3 H3 LYS A 60 ? ARG A 80 ? LYS A 60 ARG A 80 1 ? 21 -HELX_P HELX_P4 H4 ALA A 82 ? SER A 90 ? ALA A 82 SER A 90 1 ? 9 -HELX_P HELX_P5 H5 THR A 93 ? MET A 106 ? THR A 93 MET A 106 1 ? 14 -HELX_P HELX_P6 H6 GLU A 108 ? GLY A 113 ? GLU A 108 GLY A 113 1 ? 6 -HELX_P HELX_P7 H7 THR A 115 ? GLN A 123 ? THR A 115 GLN A 123 1 ? 9 -HELX_P HELX_P8 H8 TRP A 126 ? ALA A 134 ? TRP A 126 ALA A 134 1 ? 9 -HELX_P HELX_P9 H9 ARG A 137 ? GLN A 141 ? ARG A 137 GLN A 141 1 ? 5 -HELX_P HELX_P10 H10 PRO A 143 ? THR A 155 ? PRO A 143 THR A 155 1 ? 13 -# -_struct_conf_type.id HELX_P -_struct_conf_type.criteria ? -_struct_conf_type.reference ? -# -_struct_conn.id covale1 -_struct_conn.conn_type_id covale -_struct_conn.pdbx_leaving_atom_flag none -_struct_conn.pdbx_PDB_id ? -_struct_conn.ptnr1_label_asym_id D -_struct_conn.ptnr1_label_comp_id BME -_struct_conn.ptnr1_label_seq_id . -_struct_conn.ptnr1_label_atom_id S2 -_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 1_555 -_struct_conn.ptnr2_label_asym_id E -_struct_conn.ptnr2_label_comp_id BME -_struct_conn.ptnr2_label_seq_id . -_struct_conn.ptnr2_label_atom_id S2 -_struct_conn.pdbx_ptnr2_label_alt_id ? -_struct_conn.pdbx_ptnr2_PDB_ins_code ? -_struct_conn.ptnr1_auth_asym_id A -_struct_conn.ptnr1_auth_comp_id BME -_struct_conn.ptnr1_auth_seq_id 901 -_struct_conn.ptnr2_auth_asym_id A -_struct_conn.ptnr2_auth_comp_id BME -_struct_conn.ptnr2_auth_seq_id 902 -_struct_conn.ptnr2_symmetry 1_555 -_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 2.038 -_struct_conn.pdbx_value_order ? -_struct_conn.pdbx_role ? -# -_struct_conn_type.id covale -_struct_conn_type.criteria ? -_struct_conn_type.reference ? -# -_struct_sheet.id A -_struct_sheet.type ? -_struct_sheet.number_strands 3 -_struct_sheet.details ? -# -loop_ -_struct_sheet_order.sheet_id -_struct_sheet_order.range_id_1 -_struct_sheet_order.range_id_2 -_struct_sheet_order.offset -_struct_sheet_order.sense -A 1 2 ? anti-parallel -A 2 3 ? anti-parallel -# -loop_ -_struct_sheet_range.sheet_id -_struct_sheet_range.id -_struct_sheet_range.beg_label_comp_id -_struct_sheet_range.beg_label_asym_id -_struct_sheet_range.beg_label_seq_id -_struct_sheet_range.pdbx_beg_PDB_ins_code -_struct_sheet_range.end_label_comp_id -_struct_sheet_range.end_label_asym_id -_struct_sheet_range.end_label_seq_id -_struct_sheet_range.pdbx_end_PDB_ins_code -_struct_sheet_range.beg_auth_comp_id -_struct_sheet_range.beg_auth_asym_id -_struct_sheet_range.beg_auth_seq_id -_struct_sheet_range.end_auth_comp_id -_struct_sheet_range.end_auth_asym_id -_struct_sheet_range.end_auth_seq_id -A 1 ARG A 14 ? LYS A 19 ? ARG A 14 LYS A 19 -A 2 TYR A 25 ? GLY A 28 ? TYR A 25 GLY A 28 -A 3 HIS A 31 ? THR A 34 ? HIS A 31 THR A 34 -# -loop_ -_pdbx_struct_sheet_hbond.sheet_id -_pdbx_struct_sheet_hbond.range_id_1 -_pdbx_struct_sheet_hbond.range_id_2 -_pdbx_struct_sheet_hbond.range_1_label_atom_id -_pdbx_struct_sheet_hbond.range_1_label_comp_id -_pdbx_struct_sheet_hbond.range_1_label_asym_id -_pdbx_struct_sheet_hbond.range_1_label_seq_id -_pdbx_struct_sheet_hbond.range_1_PDB_ins_code -_pdbx_struct_sheet_hbond.range_1_auth_atom_id -_pdbx_struct_sheet_hbond.range_1_auth_comp_id -_pdbx_struct_sheet_hbond.range_1_auth_asym_id -_pdbx_struct_sheet_hbond.range_1_auth_seq_id -_pdbx_struct_sheet_hbond.range_2_label_atom_id -_pdbx_struct_sheet_hbond.range_2_label_comp_id -_pdbx_struct_sheet_hbond.range_2_label_asym_id -_pdbx_struct_sheet_hbond.range_2_label_seq_id -_pdbx_struct_sheet_hbond.range_2_PDB_ins_code -_pdbx_struct_sheet_hbond.range_2_auth_atom_id -_pdbx_struct_sheet_hbond.range_2_auth_comp_id -_pdbx_struct_sheet_hbond.range_2_auth_asym_id -_pdbx_struct_sheet_hbond.range_2_auth_seq_id -A 1 2 O TYR A 18 ? O TYR A 18 N THR A 26 ? N THR A 26 -A 2 3 O ILE A 27 ? O ILE A 27 N HIS A 31 ? N HIS A 31 -# -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 A CL 173 ? 5 'BINDING SITE FOR RESIDUE CL A 173' -AC2 Software A CL 178 ? 2 'BINDING SITE FOR RESIDUE CL A 178' -AC3 Software A BME 901 ? 2 'BINDING SITE FOR RESIDUE BME A 901' -AC4 Software A BME 902 ? 6 'BINDING SITE FOR RESIDUE BME A 902' -# -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 5 THR A 142 ? THR A 142 . ? 1_555 ? -2 AC1 5 ASN A 144 ? ASN A 144 . ? 1_555 ? -3 AC1 5 ARG A 145 ? ARG A 145 . ? 1_555 ? -4 AC1 5 HOH F . ? HOH A 209 . ? 1_555 ? -5 AC1 5 HOH F . ? HOH A 291 . ? 4_655 ? -6 AC2 2 HOH F . ? HOH A 215 . ? 1_555 ? -7 AC2 2 HOH F . ? HOH A 220 . ? 3_665 ? -8 AC3 2 BME E . ? BME A 902 . ? 5_555 ? -9 AC3 2 BME E . ? BME A 902 . ? 1_555 ? -10 AC4 6 ILE A 3 ? ILE A 3 . ? 1_555 ? -11 AC4 6 THR A 93 ? THR A 93 . ? 1_555 ? -12 AC4 6 ILE A 100 ? ILE A 100 . ? 1_555 ? -13 AC4 6 HOH F . ? HOH A 364 . ? 1_555 ? -14 AC4 6 BME D . ? BME A 901 . ? 5_555 ? -15 AC4 6 BME D . ? BME A 901 . ? 1_555 ? -# -loop_ -_pdbx_validate_symm_contact.id -_pdbx_validate_symm_contact.PDB_model_num -_pdbx_validate_symm_contact.auth_atom_id_1 -_pdbx_validate_symm_contact.auth_asym_id_1 -_pdbx_validate_symm_contact.auth_comp_id_1 -_pdbx_validate_symm_contact.auth_seq_id_1 -_pdbx_validate_symm_contact.PDB_ins_code_1 -_pdbx_validate_symm_contact.label_alt_id_1 -_pdbx_validate_symm_contact.site_symmetry_1 -_pdbx_validate_symm_contact.auth_atom_id_2 -_pdbx_validate_symm_contact.auth_asym_id_2 -_pdbx_validate_symm_contact.auth_comp_id_2 -_pdbx_validate_symm_contact.auth_seq_id_2 -_pdbx_validate_symm_contact.PDB_ins_code_2 -_pdbx_validate_symm_contact.label_alt_id_2 -_pdbx_validate_symm_contact.site_symmetry_2 -_pdbx_validate_symm_contact.dist -1 1 O1 A BME 901 ? ? 1_555 S2 A BME 901 ? ? 5_555 0.87 -2 1 C1 A BME 901 ? ? 1_555 C2 A BME 901 ? ? 5_555 1.05 -3 1 C2 A BME 901 ? ? 1_555 C2 A BME 901 ? ? 5_555 1.13 -4 1 C1 A BME 901 ? ? 1_555 C1 A BME 901 ? ? 5_555 1.42 -5 1 C1 A BME 901 ? ? 1_555 S2 A BME 901 ? ? 5_555 1.61 -6 1 C2 A BME 901 ? ? 1_555 O1 A BME 901 ? ? 5_555 1.64 -# -loop_ -_pdbx_validate_rmsd_bond.id -_pdbx_validate_rmsd_bond.PDB_model_num -_pdbx_validate_rmsd_bond.auth_atom_id_1 -_pdbx_validate_rmsd_bond.auth_asym_id_1 -_pdbx_validate_rmsd_bond.auth_comp_id_1 -_pdbx_validate_rmsd_bond.auth_seq_id_1 -_pdbx_validate_rmsd_bond.PDB_ins_code_1 -_pdbx_validate_rmsd_bond.label_alt_id_1 -_pdbx_validate_rmsd_bond.auth_atom_id_2 -_pdbx_validate_rmsd_bond.auth_asym_id_2 -_pdbx_validate_rmsd_bond.auth_comp_id_2 -_pdbx_validate_rmsd_bond.auth_seq_id_2 -_pdbx_validate_rmsd_bond.PDB_ins_code_2 -_pdbx_validate_rmsd_bond.label_alt_id_2 -_pdbx_validate_rmsd_bond.bond_value -_pdbx_validate_rmsd_bond.bond_target_value -_pdbx_validate_rmsd_bond.bond_deviation -_pdbx_validate_rmsd_bond.bond_standard_deviation -_pdbx_validate_rmsd_bond.linker_flag -1 1 CD A GLU 22 ? ? OE1 A GLU 22 ? ? 1.319 1.252 0.067 0.011 N -2 1 NE A ARG 76 ? ? CZ A ARG 76 ? ? 1.411 1.326 0.085 0.013 N -3 1 CD A GLU 128 ? ? OE1 A GLU 128 ? ? 1.327 1.252 0.075 0.011 N -# -loop_ -_pdbx_validate_rmsd_angle.id -_pdbx_validate_rmsd_angle.PDB_model_num -_pdbx_validate_rmsd_angle.auth_atom_id_1 -_pdbx_validate_rmsd_angle.auth_asym_id_1 -_pdbx_validate_rmsd_angle.auth_comp_id_1 -_pdbx_validate_rmsd_angle.auth_seq_id_1 -_pdbx_validate_rmsd_angle.PDB_ins_code_1 -_pdbx_validate_rmsd_angle.label_alt_id_1 -_pdbx_validate_rmsd_angle.auth_atom_id_2 -_pdbx_validate_rmsd_angle.auth_asym_id_2 -_pdbx_validate_rmsd_angle.auth_comp_id_2 -_pdbx_validate_rmsd_angle.auth_seq_id_2 -_pdbx_validate_rmsd_angle.PDB_ins_code_2 -_pdbx_validate_rmsd_angle.label_alt_id_2 -_pdbx_validate_rmsd_angle.auth_atom_id_3 -_pdbx_validate_rmsd_angle.auth_asym_id_3 -_pdbx_validate_rmsd_angle.auth_comp_id_3 -_pdbx_validate_rmsd_angle.auth_seq_id_3 -_pdbx_validate_rmsd_angle.PDB_ins_code_3 -_pdbx_validate_rmsd_angle.label_alt_id_3 -_pdbx_validate_rmsd_angle.angle_value -_pdbx_validate_rmsd_angle.angle_target_value -_pdbx_validate_rmsd_angle.angle_deviation -_pdbx_validate_rmsd_angle.angle_standard_deviation -_pdbx_validate_rmsd_angle.linker_flag -1 1 CB A ASP 47 ? ? CG A ASP 47 ? ? OD1 A ASP 47 ? ? 127.34 118.30 9.04 0.90 N -2 1 CB A ASP 47 ? ? CG A ASP 47 ? ? OD2 A ASP 47 ? ? 107.29 118.30 -11.01 0.90 N -3 1 CB A ASP 61 ? ? CG A ASP 61 ? ? OD2 A ASP 61 ? ? 112.55 118.30 -5.75 0.90 N -4 1 CB A ASP 70 ? ? CG A ASP 70 ? ? OD1 A ASP 70 ? ? 124.71 118.30 6.41 0.90 N -5 1 CD A ARG 76 ? ? NE A ARG 76 ? ? CZ A ARG 76 ? ? 133.82 123.60 10.22 1.40 N -6 1 NH1 A ARG 76 ? ? CZ A ARG 76 ? ? NH2 A ARG 76 ? ? 111.43 119.40 -7.97 1.10 N -7 1 NE A ARG 76 ? ? CZ A ARG 76 ? ? NH1 A ARG 76 ? ? 128.29 120.30 7.99 0.50 N -8 1 NE A ARG 80 ? ? CZ A ARG 80 ? ? NH1 A ARG 80 ? ? 123.99 120.30 3.69 0.50 N -9 1 CB A ASP 92 ? ? CG A ASP 92 ? ? OD1 A ASP 92 ? ? 110.12 118.30 -8.18 0.90 N -10 1 CB A ASP 92 ? ? CG A ASP 92 ? ? OD2 A ASP 92 ? ? 124.90 118.30 6.60 0.90 N -11 1 NE A ARG 95 ? ? CZ A ARG 95 ? ? NH1 A ARG 95 ? ? 123.41 120.30 3.11 0.50 N -12 1 CA A MET 106 ? ? CB A MET 106 ? ? CG A MET 106 ? ? 124.81 113.30 11.51 1.70 N -13 1 NE A ARG 119 ? ? CZ A ARG 119 ? ? NH1 A ARG 119 ? ? 123.98 120.30 3.68 0.50 N -14 1 NE A ARG 119 ? ? CZ A ARG 119 ? ? NH2 A ARG 119 ? ? 117.17 120.30 -3.13 0.50 N -15 1 NE A ARG 125 ? ? CZ A ARG 125 ? ? NH1 A ARG 125 ? ? 124.37 120.30 4.07 0.50 N -16 1 CB A ASP 127 ? ? CG A ASP 127 ? ? OD1 A ASP 127 ? ? 128.75 118.30 10.45 0.90 N -17 1 CB A ASP 127 ? ? CG A ASP 127 ? ? OD2 A ASP 127 ? ? 108.15 118.30 -10.15 0.90 N -18 1 CB A TYR 139 ? ? CG A TYR 139 ? ? CD1 A TYR 139 ? ? 115.98 121.00 -5.02 0.60 N -19 1 CD A ARG 145 ? ? NE A ARG 145 ? ? CZ A ARG 145 ? ? 110.06 123.60 -13.54 1.40 N -20 1 NE A ARG 145 ? ? CZ A ARG 145 ? ? NH1 A ARG 145 ? ? 116.56 120.30 -3.74 0.50 N -21 1 NE A ARG 148 ? ? CZ A ARG 148 ? ? NH1 A ARG 148 ? ? 123.72 120.30 3.42 0.50 N -22 1 NE A ARG 154 ? ? CZ A ARG 154 ? ? NH1 A ARG 154 ? ? 124.44 120.30 4.14 0.50 N -23 1 NE A ARG 154 ? ? CZ A ARG 154 ? ? NH2 A ARG 154 ? ? 117.18 120.30 -3.12 0.50 N -24 1 CB A ASP 159 ? ? CG A ASP 159 ? ? OD1 A ASP 159 ? ? 112.63 118.30 -5.67 0.90 N -# -_pdbx_validate_torsion.id 1 -_pdbx_validate_torsion.PDB_model_num 1 -_pdbx_validate_torsion.auth_comp_id ILE -_pdbx_validate_torsion.auth_asym_id A -_pdbx_validate_torsion.auth_seq_id 29 -_pdbx_validate_torsion.PDB_ins_code ? -_pdbx_validate_torsion.label_alt_id ? -_pdbx_validate_torsion.phi -107.30 -_pdbx_validate_torsion.psi 74.02 -# -_pdbx_database_remark.id 700 -_pdbx_database_remark.text -;SHEET -THERE ARE SEVERAL SUBTLE ASPECTS OF THE SECONDARY STRUCTURE -OF THIS MOLECULE WHICH CANNOT CONVENIENTLY BE REPRESENTED -IN HELIX AND SHEET RECORDS BELOW. THESE ASPECTS INFLUENCE -THE REPRESENTATION OF HELIX 6 AND STRAND 3 OF SHEET *S1*. -THE PAPER J.MOL.BIOL., V. 118, P. 81, 1978 SHOULD BE -CONSULTED FOR THESE SUBTLETIES. -; -# -loop_ -_pdbx_unobs_or_zero_occ_residues.id -_pdbx_unobs_or_zero_occ_residues.PDB_model_num -_pdbx_unobs_or_zero_occ_residues.polymer_flag -_pdbx_unobs_or_zero_occ_residues.occupancy_flag -_pdbx_unobs_or_zero_occ_residues.auth_asym_id -_pdbx_unobs_or_zero_occ_residues.auth_comp_id -_pdbx_unobs_or_zero_occ_residues.auth_seq_id -_pdbx_unobs_or_zero_occ_residues.PDB_ins_code -_pdbx_unobs_or_zero_occ_residues.label_asym_id -_pdbx_unobs_or_zero_occ_residues.label_comp_id -_pdbx_unobs_or_zero_occ_residues.label_seq_id -1 1 Y 1 A ASN 163 ? A ASN 163 -2 1 Y 1 A LEU 164 ? A LEU 164 -# -loop_ -_chem_comp_atom.comp_id -_chem_comp_atom.atom_id -_chem_comp_atom.type_symbol -_chem_comp_atom.pdbx_aromatic_flag -_chem_comp_atom.pdbx_stereo_config -_chem_comp_atom.pdbx_ordinal -ALA N N N N 1 -ALA CA C N S 2 -ALA C C N N 3 -ALA O O N N 4 -ALA CB C N N 5 -ALA OXT O N N 6 -ALA H H N N 7 -ALA H2 H N N 8 -ALA HA H N N 9 -ALA HB1 H N N 10 -ALA HB2 H N N 11 -ALA HB3 H N N 12 -ALA HXT H N N 13 -ARG N N N N 14 -ARG CA C N S 15 -ARG C C N N 16 -ARG O O N N 17 -ARG CB C N N 18 -ARG CG C N N 19 -ARG CD C N N 20 -ARG NE N N N 21 -ARG CZ C N N 22 -ARG NH1 N N N 23 -ARG NH2 N N N 24 -ARG OXT O N N 25 -ARG H H N N 26 -ARG H2 H N N 27 -ARG HA H N N 28 -ARG HB2 H N N 29 -ARG HB3 H N N 30 -ARG HG2 H N N 31 -ARG HG3 H N N 32 -ARG HD2 H N N 33 -ARG HD3 H N N 34 -ARG HE H N N 35 -ARG HH11 H N N 36 -ARG HH12 H N N 37 -ARG HH21 H N N 38 -ARG HH22 H N N 39 -ARG HXT H N N 40 -ASN N N N N 41 -ASN CA C N S 42 -ASN C C N N 43 -ASN O O N N 44 -ASN CB C N N 45 -ASN CG C N N 46 -ASN OD1 O N N 47 -ASN ND2 N N N 48 -ASN OXT O N N 49 -ASN H H N N 50 -ASN H2 H N N 51 -ASN HA H N N 52 -ASN HB2 H N N 53 -ASN HB3 H N N 54 -ASN HD21 H N N 55 -ASN HD22 H N N 56 -ASN HXT H N N 57 -ASP N N N N 58 -ASP CA C N S 59 -ASP C C N N 60 -ASP O O N N 61 -ASP CB C N N 62 -ASP CG C N N 63 -ASP OD1 O N N 64 -ASP OD2 O N N 65 -ASP OXT O N N 66 -ASP H H N N 67 -ASP H2 H N N 68 -ASP HA H N N 69 -ASP HB2 H N N 70 -ASP HB3 H N N 71 -ASP HD2 H N N 72 -ASP HXT H N N 73 -BME C1 C N N 74 -BME C2 C N N 75 -BME O1 O N N 76 -BME S2 S N N 77 -BME H11 H N N 78 -BME H12 H N N 79 -BME H21 H N N 80 -BME H22 H N N 81 -BME HO1 H N N 82 -BME HS2 H N N 83 -CL CL CL N N 84 -CYS N N N N 85 -CYS CA C N R 86 -CYS C C N N 87 -CYS O O N N 88 -CYS CB C N N 89 -CYS SG S N N 90 -CYS OXT O N N 91 -CYS H H N N 92 -CYS H2 H N N 93 -CYS HA H N N 94 -CYS HB2 H N N 95 -CYS HB3 H N N 96 -CYS HG H N N 97 -CYS HXT H N N 98 -GLN N N N N 99 -GLN CA C N S 100 -GLN C C N N 101 -GLN O O N N 102 -GLN CB C N N 103 -GLN CG C N N 104 -GLN CD C N N 105 -GLN OE1 O N N 106 -GLN NE2 N N N 107 -GLN OXT O N N 108 -GLN H H N N 109 -GLN H2 H N N 110 -GLN HA H N N 111 -GLN HB2 H N N 112 -GLN HB3 H N N 113 -GLN HG2 H N N 114 -GLN HG3 H N N 115 -GLN HE21 H N N 116 -GLN HE22 H N N 117 -GLN HXT H N N 118 -GLU N N N N 119 -GLU CA C N S 120 -GLU C C N N 121 -GLU O O N N 122 -GLU CB C N N 123 -GLU CG C N N 124 -GLU CD C N N 125 -GLU OE1 O N N 126 -GLU OE2 O N N 127 -GLU OXT O N N 128 -GLU H H N N 129 -GLU H2 H N N 130 -GLU HA H N N 131 -GLU HB2 H N N 132 -GLU HB3 H N N 133 -GLU HG2 H N N 134 -GLU HG3 H N N 135 -GLU HE2 H N N 136 -GLU HXT H N N 137 -GLY N N N N 138 -GLY CA C N N 139 -GLY C C N N 140 -GLY O O N N 141 -GLY OXT O N N 142 -GLY H H N N 143 -GLY H2 H N N 144 -GLY HA2 H N N 145 -GLY HA3 H N N 146 -GLY HXT H N N 147 -HIS N N N N 148 -HIS CA C N S 149 -HIS C C N N 150 -HIS O O N N 151 -HIS CB C N N 152 -HIS CG C Y N 153 -HIS ND1 N Y N 154 -HIS CD2 C Y N 155 -HIS CE1 C Y N 156 -HIS NE2 N Y N 157 -HIS OXT O N N 158 -HIS H H N N 159 -HIS H2 H N N 160 -HIS HA H N N 161 -HIS HB2 H N N 162 -HIS HB3 H N N 163 -HIS HD1 H N N 164 -HIS HD2 H N N 165 -HIS HE1 H N N 166 -HIS HE2 H N N 167 -HIS HXT H N N 168 -HOH O O N N 169 -HOH H1 H N N 170 -HOH H2 H N N 171 -ILE N N N N 172 -ILE CA C N S 173 -ILE C C N N 174 -ILE O O N N 175 -ILE CB C N S 176 -ILE CG1 C N N 177 -ILE CG2 C N N 178 -ILE CD1 C N N 179 -ILE OXT O N N 180 -ILE H H N N 181 -ILE H2 H N N 182 -ILE HA H N N 183 -ILE HB H N N 184 -ILE HG12 H N N 185 -ILE HG13 H N N 186 -ILE HG21 H N N 187 -ILE HG22 H N N 188 -ILE HG23 H N N 189 -ILE HD11 H N N 190 -ILE HD12 H N N 191 -ILE HD13 H N N 192 -ILE HXT H N N 193 -LEU N N N N 194 -LEU CA C N S 195 -LEU C C N N 196 -LEU O O N N 197 -LEU CB C N N 198 -LEU CG C N N 199 -LEU CD1 C N N 200 -LEU CD2 C N N 201 -LEU OXT O N N 202 -LEU H H N N 203 -LEU H2 H N N 204 -LEU HA H N N 205 -LEU HB2 H N N 206 -LEU HB3 H N N 207 -LEU HG H N N 208 -LEU HD11 H N N 209 -LEU HD12 H N N 210 -LEU HD13 H N N 211 -LEU HD21 H N N 212 -LEU HD22 H N N 213 -LEU HD23 H N N 214 -LEU HXT H N N 215 -LYS N N N N 216 -LYS CA C N S 217 -LYS C C N N 218 -LYS O O N N 219 -LYS CB C N N 220 -LYS CG C N N 221 -LYS CD C N N 222 -LYS CE C N N 223 -LYS NZ N N N 224 -LYS OXT O N N 225 -LYS H H N N 226 -LYS H2 H N N 227 -LYS HA H N N 228 -LYS HB2 H N N 229 -LYS HB3 H N N 230 -LYS HG2 H N N 231 -LYS HG3 H N N 232 -LYS HD2 H N N 233 -LYS HD3 H N N 234 -LYS HE2 H N N 235 -LYS HE3 H N N 236 -LYS HZ1 H N N 237 -LYS HZ2 H N N 238 -LYS HZ3 H N N 239 -LYS HXT H N N 240 -MET N N N N 241 -MET CA C N S 242 -MET C C N N 243 -MET O O N N 244 -MET CB C N N 245 -MET CG C N N 246 -MET SD S N N 247 -MET CE C N N 248 -MET OXT O N N 249 -MET H H N N 250 -MET H2 H N N 251 -MET HA H N N 252 -MET HB2 H N N 253 -MET HB3 H N N 254 -MET HG2 H N N 255 -MET HG3 H N N 256 -MET HE1 H N N 257 -MET HE2 H N N 258 -MET HE3 H N N 259 -MET HXT H N N 260 -PHE N N N N 261 -PHE CA C N S 262 -PHE C C N N 263 -PHE O O N N 264 -PHE CB C N N 265 -PHE CG C Y N 266 -PHE CD1 C Y N 267 -PHE CD2 C Y N 268 -PHE CE1 C Y N 269 -PHE CE2 C Y N 270 -PHE CZ C Y N 271 -PHE OXT O N N 272 -PHE H H N N 273 -PHE H2 H N N 274 -PHE HA H N N 275 -PHE HB2 H N N 276 -PHE HB3 H N N 277 -PHE HD1 H N N 278 -PHE HD2 H N N 279 -PHE HE1 H N N 280 -PHE HE2 H N N 281 -PHE HZ H N N 282 -PHE HXT H N N 283 -PRO N N N N 284 -PRO CA C N S 285 -PRO C C N N 286 -PRO O O N N 287 -PRO CB C N N 288 -PRO CG C N N 289 -PRO CD C N N 290 -PRO OXT O N N 291 -PRO H H N N 292 -PRO HA H N N 293 -PRO HB2 H N N 294 -PRO HB3 H N N 295 -PRO HG2 H N N 296 -PRO HG3 H N N 297 -PRO HD2 H N N 298 -PRO HD3 H N N 299 -PRO HXT H N N 300 -SER N N N N 301 -SER CA C N S 302 -SER C C N N 303 -SER O O N N 304 -SER CB C N N 305 -SER OG O N N 306 -SER OXT O N N 307 -SER H H N N 308 -SER H2 H N N 309 -SER HA H N N 310 -SER HB2 H N N 311 -SER HB3 H N N 312 -SER HG H N N 313 -SER HXT H N N 314 -THR N N N N 315 -THR CA C N S 316 -THR C C N N 317 -THR O O N N 318 -THR CB C N R 319 -THR OG1 O N N 320 -THR CG2 C N N 321 -THR OXT O N N 322 -THR H H N N 323 -THR H2 H N N 324 -THR HA H N N 325 -THR HB H N N 326 -THR HG1 H N N 327 -THR HG21 H N N 328 -THR HG22 H N N 329 -THR HG23 H N N 330 -THR HXT H N N 331 -TRP N N N N 332 -TRP CA C N S 333 -TRP C C N N 334 -TRP O O N N 335 -TRP CB C N N 336 -TRP CG C Y N 337 -TRP CD1 C Y N 338 -TRP CD2 C Y N 339 -TRP NE1 N Y N 340 -TRP CE2 C Y N 341 -TRP CE3 C Y N 342 -TRP CZ2 C Y N 343 -TRP CZ3 C Y N 344 -TRP CH2 C Y N 345 -TRP OXT O N N 346 -TRP H H N N 347 -TRP H2 H N N 348 -TRP HA H N N 349 -TRP HB2 H N N 350 -TRP HB3 H N N 351 -TRP HD1 H N N 352 -TRP HE1 H N N 353 -TRP HE3 H N N 354 -TRP HZ2 H N N 355 -TRP HZ3 H N N 356 -TRP HH2 H N N 357 -TRP HXT H N N 358 -TYR N N N N 359 -TYR CA C N S 360 -TYR C C N N 361 -TYR O O N N 362 -TYR CB C N N 363 -TYR CG C Y N 364 -TYR CD1 C Y N 365 -TYR CD2 C Y N 366 -TYR CE1 C Y N 367 -TYR CE2 C Y N 368 -TYR CZ C Y N 369 -TYR OH O N N 370 -TYR OXT O N N 371 -TYR H H N N 372 -TYR H2 H N N 373 -TYR HA H N N 374 -TYR HB2 H N N 375 -TYR HB3 H N N 376 -TYR HD1 H N N 377 -TYR HD2 H N N 378 -TYR HE1 H N N 379 -TYR HE2 H N N 380 -TYR HH H N N 381 -TYR HXT H N N 382 -VAL N N N N 383 -VAL CA C N S 384 -VAL C C N N 385 -VAL O O N N 386 -VAL CB C N N 387 -VAL CG1 C N N 388 -VAL CG2 C N N 389 -VAL OXT O N N 390 -VAL H H N N 391 -VAL H2 H N N 392 -VAL HA H N N 393 -VAL HB H N N 394 -VAL HG11 H N N 395 -VAL HG12 H N N 396 -VAL HG13 H N N 397 -VAL HG21 H N N 398 -VAL HG22 H N N 399 -VAL HG23 H N N 400 -VAL HXT H N N 401 -# -loop_ -_chem_comp_bond.comp_id -_chem_comp_bond.atom_id_1 -_chem_comp_bond.atom_id_2 -_chem_comp_bond.value_order -_chem_comp_bond.pdbx_aromatic_flag -_chem_comp_bond.pdbx_stereo_config -_chem_comp_bond.pdbx_ordinal -ALA N CA sing N N 1 -ALA N H sing N N 2 -ALA N H2 sing N N 3 -ALA CA C sing N N 4 -ALA CA CB sing N N 5 -ALA CA HA sing N N 6 -ALA C O doub N N 7 -ALA C OXT sing N N 8 -ALA CB HB1 sing N N 9 -ALA CB HB2 sing N N 10 -ALA CB HB3 sing N N 11 -ALA OXT HXT sing N N 12 -ARG N CA sing N N 13 -ARG N H sing N N 14 -ARG N H2 sing N N 15 -ARG CA C sing N N 16 -ARG CA CB sing N N 17 -ARG CA HA sing N N 18 -ARG C O doub N N 19 -ARG C OXT sing N N 20 -ARG CB CG sing N N 21 -ARG CB HB2 sing N N 22 -ARG CB HB3 sing N N 23 -ARG CG CD sing N N 24 -ARG CG HG2 sing N N 25 -ARG CG HG3 sing N N 26 -ARG CD NE sing N N 27 -ARG CD HD2 sing N N 28 -ARG CD HD3 sing N N 29 -ARG NE CZ sing N N 30 -ARG NE HE sing N N 31 -ARG CZ NH1 sing N N 32 -ARG CZ NH2 doub N N 33 -ARG NH1 HH11 sing N N 34 -ARG NH1 HH12 sing N N 35 -ARG NH2 HH21 sing N N 36 -ARG NH2 HH22 sing N N 37 -ARG OXT HXT sing N N 38 -ASN N CA sing N N 39 -ASN N H sing N N 40 -ASN N H2 sing N N 41 -ASN CA C sing N N 42 -ASN CA CB sing N N 43 -ASN CA HA sing N N 44 -ASN C O doub N N 45 -ASN C OXT sing N N 46 -ASN CB CG sing N N 47 -ASN CB HB2 sing N N 48 -ASN CB HB3 sing N N 49 -ASN CG OD1 doub N N 50 -ASN CG ND2 sing N N 51 -ASN ND2 HD21 sing N N 52 -ASN ND2 HD22 sing N N 53 -ASN OXT HXT sing N N 54 -ASP N CA sing N N 55 -ASP N H sing N N 56 -ASP N H2 sing N N 57 -ASP CA C sing N N 58 -ASP CA CB sing N N 59 -ASP CA HA sing N N 60 -ASP C O doub N N 61 -ASP C OXT sing N N 62 -ASP CB CG sing N N 63 -ASP CB HB2 sing N N 64 -ASP CB HB3 sing N N 65 -ASP CG OD1 doub N N 66 -ASP CG OD2 sing N N 67 -ASP OD2 HD2 sing N N 68 -ASP OXT HXT sing N N 69 -BME C1 C2 sing N N 70 -BME C1 O1 sing N N 71 -BME C1 H11 sing N N 72 -BME C1 H12 sing N N 73 -BME C2 S2 sing N N 74 -BME C2 H21 sing N N 75 -BME C2 H22 sing N N 76 -BME O1 HO1 sing N N 77 -BME S2 HS2 sing N N 78 -CYS N CA sing N N 79 -CYS N H sing N N 80 -CYS N H2 sing N N 81 -CYS CA C sing N N 82 -CYS CA CB sing N N 83 -CYS CA HA sing N N 84 -CYS C O doub N N 85 -CYS C OXT sing N N 86 -CYS CB SG sing N N 87 -CYS CB HB2 sing N N 88 -CYS CB HB3 sing N N 89 -CYS SG HG sing N N 90 -CYS OXT HXT sing N N 91 -GLN N CA sing N N 92 -GLN N H sing N N 93 -GLN N H2 sing N N 94 -GLN CA C sing N N 95 -GLN CA CB sing N N 96 -GLN CA HA sing N N 97 -GLN C O doub N N 98 -GLN C OXT sing N N 99 -GLN CB CG sing N N 100 -GLN CB HB2 sing N N 101 -GLN CB HB3 sing N N 102 -GLN CG CD sing N N 103 -GLN CG HG2 sing N N 104 -GLN CG HG3 sing N N 105 -GLN CD OE1 doub N N 106 -GLN CD NE2 sing N N 107 -GLN NE2 HE21 sing N N 108 -GLN NE2 HE22 sing N N 109 -GLN OXT HXT sing N N 110 -GLU N CA sing N N 111 -GLU N H sing N N 112 -GLU N H2 sing N N 113 -GLU CA C sing N N 114 -GLU CA CB sing N N 115 -GLU CA HA sing N N 116 -GLU C O doub N N 117 -GLU C OXT sing N N 118 -GLU CB CG sing N N 119 -GLU CB HB2 sing N N 120 -GLU CB HB3 sing N N 121 -GLU CG CD sing N N 122 -GLU CG HG2 sing N N 123 -GLU CG HG3 sing N N 124 -GLU CD OE1 doub N N 125 -GLU CD OE2 sing N N 126 -GLU OE2 HE2 sing N N 127 -GLU OXT HXT sing N N 128 -GLY N CA sing N N 129 -GLY N H sing N N 130 -GLY N H2 sing N N 131 -GLY CA C sing N N 132 -GLY CA HA2 sing N N 133 -GLY CA HA3 sing N N 134 -GLY C O doub N N 135 -GLY C OXT sing N N 136 -GLY OXT HXT sing N N 137 -HIS N CA sing N N 138 -HIS N H sing N N 139 -HIS N H2 sing N N 140 -HIS CA C sing N N 141 -HIS CA CB sing N N 142 -HIS CA HA sing N N 143 -HIS C O doub N N 144 -HIS C OXT sing N N 145 -HIS CB CG sing N N 146 -HIS CB HB2 sing N N 147 -HIS CB HB3 sing N N 148 -HIS CG ND1 sing Y N 149 -HIS CG CD2 doub Y N 150 -HIS ND1 CE1 doub Y N 151 -HIS ND1 HD1 sing N N 152 -HIS CD2 NE2 sing Y N 153 -HIS CD2 HD2 sing N N 154 -HIS CE1 NE2 sing Y N 155 -HIS CE1 HE1 sing N N 156 -HIS NE2 HE2 sing N N 157 -HIS OXT HXT sing N N 158 -HOH O H1 sing N N 159 -HOH O H2 sing N N 160 -ILE N CA sing N N 161 -ILE N H sing N N 162 -ILE N H2 sing N N 163 -ILE CA C sing N N 164 -ILE CA CB sing N N 165 -ILE CA HA sing N N 166 -ILE C O doub N N 167 -ILE C OXT sing N N 168 -ILE CB CG1 sing N N 169 -ILE CB CG2 sing N N 170 -ILE CB HB sing N N 171 -ILE CG1 CD1 sing N N 172 -ILE CG1 HG12 sing N N 173 -ILE CG1 HG13 sing N N 174 -ILE CG2 HG21 sing N N 175 -ILE CG2 HG22 sing N N 176 -ILE CG2 HG23 sing N N 177 -ILE CD1 HD11 sing N N 178 -ILE CD1 HD12 sing N N 179 -ILE CD1 HD13 sing N N 180 -ILE OXT HXT sing N N 181 -LEU N CA sing N N 182 -LEU N H sing N N 183 -LEU N H2 sing N N 184 -LEU CA C sing N N 185 -LEU CA CB sing N N 186 -LEU CA HA sing N N 187 -LEU C O doub N N 188 -LEU C OXT sing N N 189 -LEU CB CG sing N N 190 -LEU CB HB2 sing N N 191 -LEU CB HB3 sing N N 192 -LEU CG CD1 sing N N 193 -LEU CG CD2 sing N N 194 -LEU CG HG sing N N 195 -LEU CD1 HD11 sing N N 196 -LEU CD1 HD12 sing N N 197 -LEU CD1 HD13 sing N N 198 -LEU CD2 HD21 sing N N 199 -LEU CD2 HD22 sing N N 200 -LEU CD2 HD23 sing N N 201 -LEU OXT HXT sing N N 202 -LYS N CA sing N N 203 -LYS N H sing N N 204 -LYS N H2 sing N N 205 -LYS CA C sing N N 206 -LYS CA CB sing N N 207 -LYS CA HA sing N N 208 -LYS C O doub N N 209 -LYS C OXT sing N N 210 -LYS CB CG sing N N 211 -LYS CB HB2 sing N N 212 -LYS CB HB3 sing N N 213 -LYS CG CD sing N N 214 -LYS CG HG2 sing N N 215 -LYS CG HG3 sing N N 216 -LYS CD CE sing N N 217 -LYS CD HD2 sing N N 218 -LYS CD HD3 sing N N 219 -LYS CE NZ sing N N 220 -LYS CE HE2 sing N N 221 -LYS CE HE3 sing N N 222 -LYS NZ HZ1 sing N N 223 -LYS NZ HZ2 sing N N 224 -LYS NZ HZ3 sing N N 225 -LYS OXT HXT sing N N 226 -MET N CA sing N N 227 -MET N H sing N N 228 -MET N H2 sing N N 229 -MET CA C sing N N 230 -MET CA CB sing N N 231 -MET CA HA sing N N 232 -MET C O doub N N 233 -MET C OXT sing N N 234 -MET CB CG sing N N 235 -MET CB HB2 sing N N 236 -MET CB HB3 sing N N 237 -MET CG SD sing N N 238 -MET CG HG2 sing N N 239 -MET CG HG3 sing N N 240 -MET SD CE sing N N 241 -MET CE HE1 sing N N 242 -MET CE HE2 sing N N 243 -MET CE HE3 sing N N 244 -MET OXT HXT sing N N 245 -PHE N CA sing N N 246 -PHE N H sing N N 247 -PHE N H2 sing N N 248 -PHE CA C sing N N 249 -PHE CA CB sing N N 250 -PHE CA HA sing N N 251 -PHE C O doub N N 252 -PHE C OXT sing N N 253 -PHE CB CG sing N N 254 -PHE CB HB2 sing N N 255 -PHE CB HB3 sing N N 256 -PHE CG CD1 doub Y N 257 -PHE CG CD2 sing Y N 258 -PHE CD1 CE1 sing Y N 259 -PHE CD1 HD1 sing N N 260 -PHE CD2 CE2 doub Y N 261 -PHE CD2 HD2 sing N N 262 -PHE CE1 CZ doub Y N 263 -PHE CE1 HE1 sing N N 264 -PHE CE2 CZ sing Y N 265 -PHE CE2 HE2 sing N N 266 -PHE CZ HZ sing N N 267 -PHE OXT HXT sing N N 268 -PRO N CA sing N N 269 -PRO N CD sing N N 270 -PRO N H sing N N 271 -PRO CA C sing N N 272 -PRO CA CB sing N N 273 -PRO CA HA sing N N 274 -PRO C O doub N N 275 -PRO C OXT sing N N 276 -PRO CB CG sing N N 277 -PRO CB HB2 sing N N 278 -PRO CB HB3 sing N N 279 -PRO CG CD sing N N 280 -PRO CG HG2 sing N N 281 -PRO CG HG3 sing N N 282 -PRO CD HD2 sing N N 283 -PRO CD HD3 sing N N 284 -PRO OXT HXT sing N N 285 -SER N CA sing N N 286 -SER N H sing N N 287 -SER N H2 sing N N 288 -SER CA C sing N N 289 -SER CA CB sing N N 290 -SER CA HA sing N N 291 -SER C O doub N N 292 -SER C OXT sing N N 293 -SER CB OG sing N N 294 -SER CB HB2 sing N N 295 -SER CB HB3 sing N N 296 -SER OG HG sing N N 297 -SER OXT HXT sing N N 298 -THR N CA sing N N 299 -THR N H sing N N 300 -THR N H2 sing N N 301 -THR CA C sing N N 302 -THR CA CB sing N N 303 -THR CA HA sing N N 304 -THR C O doub N N 305 -THR C OXT sing N N 306 -THR CB OG1 sing N N 307 -THR CB CG2 sing N N 308 -THR CB HB sing N N 309 -THR OG1 HG1 sing N N 310 -THR CG2 HG21 sing N N 311 -THR CG2 HG22 sing N N 312 -THR CG2 HG23 sing N N 313 -THR OXT HXT sing N N 314 -TRP N CA sing N N 315 -TRP N H sing N N 316 -TRP N H2 sing N N 317 -TRP CA C sing N N 318 -TRP CA CB sing N N 319 -TRP CA HA sing N N 320 -TRP C O doub N N 321 -TRP C OXT sing N N 322 -TRP CB CG sing N N 323 -TRP CB HB2 sing N N 324 -TRP CB HB3 sing N N 325 -TRP CG CD1 doub Y N 326 -TRP CG CD2 sing Y N 327 -TRP CD1 NE1 sing Y N 328 -TRP CD1 HD1 sing N N 329 -TRP CD2 CE2 doub Y N 330 -TRP CD2 CE3 sing Y N 331 -TRP NE1 CE2 sing Y N 332 -TRP NE1 HE1 sing N N 333 -TRP CE2 CZ2 sing Y N 334 -TRP CE3 CZ3 doub Y N 335 -TRP CE3 HE3 sing N N 336 -TRP CZ2 CH2 doub Y N 337 -TRP CZ2 HZ2 sing N N 338 -TRP CZ3 CH2 sing Y N 339 -TRP CZ3 HZ3 sing N N 340 -TRP CH2 HH2 sing N N 341 -TRP OXT HXT sing N N 342 -TYR N CA sing N N 343 -TYR N H sing N N 344 -TYR N H2 sing N N 345 -TYR CA C sing N N 346 -TYR CA CB sing N N 347 -TYR CA HA sing N N 348 -TYR C O doub N N 349 -TYR C OXT sing N N 350 -TYR CB CG sing N N 351 -TYR CB HB2 sing N N 352 -TYR CB HB3 sing N N 353 -TYR CG CD1 doub Y N 354 -TYR CG CD2 sing Y N 355 -TYR CD1 CE1 sing Y N 356 -TYR CD1 HD1 sing N N 357 -TYR CD2 CE2 doub Y N 358 -TYR CD2 HD2 sing N N 359 -TYR CE1 CZ doub Y N 360 -TYR CE1 HE1 sing N N 361 -TYR CE2 CZ sing Y N 362 -TYR CE2 HE2 sing N N 363 -TYR CZ OH sing N N 364 -TYR OH HH sing N N 365 -TYR OXT HXT sing N N 366 -VAL N CA sing N N 367 -VAL N H sing N N 368 -VAL N H2 sing N N 369 -VAL CA C sing N N 370 -VAL CA CB sing N N 371 -VAL CA HA sing N N 372 -VAL C O doub N N 373 -VAL C OXT sing N N 374 -VAL CB CG1 sing N N 375 -VAL CB CG2 sing N N 376 -VAL CB HB sing N N 377 -VAL CG1 HG11 sing N N 378 -VAL CG1 HG12 sing N N 379 -VAL CG1 HG13 sing N N 380 -VAL CG2 HG21 sing N N 381 -VAL CG2 HG22 sing N N 382 -VAL CG2 HG23 sing N N 383 -VAL OXT HXT sing N N 384 -# -_atom_sites.entry_id 129L -_atom_sites.fract_transf_matrix[1][1] 0.016393 -_atom_sites.fract_transf_matrix[1][2] 0.009465 -_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] 0.018930 -_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] 0.010309 -_atom_sites.fract_transf_vector[1] 0.00000 -_atom_sites.fract_transf_vector[2] 0.00000 -_atom_sites.fract_transf_vector[3] 0.00000 -# -loop_ -_atom_sites_footnote.id -_atom_sites_footnote.text -1 -;RESIDUES 162 - 164 IN WILD-TYPE AND ALL MUTANT LYSOZYMES ARE EXTREMELY MOBILE. THUS THE COORDINATES FOR THESE RESIDUES ARE VERY UNRELIABLE. THIS ENTRY DOES NOT INCLUDE RESIDUES 163 AND 164. -; -2 'SEO 901 FORMS AN S-S LINKAGE TO SEO 902.' -# -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 . MET A 1 1 ? 43.874 -3.259 8.903 1.00 22.46 ? 1 MET A N 1 -ATOM 2 C CA . MET A 1 1 ? 43.489 -1.891 8.993 1.00 14.52 ? 1 MET A CA 1 -ATOM 3 C C . MET A 1 1 ? 42.118 -1.976 9.569 1.00 14.11 ? 1 MET A C 1 -ATOM 4 O O . MET A 1 1 ? 41.447 -2.993 9.376 1.00 12.76 ? 1 MET A O 1 -ATOM 5 C CB . MET A 1 1 ? 43.428 -1.384 7.528 1.00 20.07 ? 1 MET A CB 1 -ATOM 6 C CG . MET A 1 1 ? 42.931 0.018 7.236 1.00 27.83 ? 1 MET A CG 1 -ATOM 7 S SD . MET A 1 1 ? 43.948 1.337 7.939 1.00 28.24 ? 1 MET A SD 1 -ATOM 8 C CE . MET A 1 1 ? 45.552 0.828 7.315 1.00 29.18 ? 1 MET A CE 1 -ATOM 9 N N . ASN A 1 2 ? 41.718 -0.910 10.246 1.00 15.09 ? 2 ASN A N 1 -ATOM 10 C CA . ASN A 1 2 ? 40.387 -0.847 10.794 1.00 15.58 ? 2 ASN A CA 1 -ATOM 11 C C . ASN A 1 2 ? 39.958 0.603 10.815 1.00 8.60 ? 2 ASN A C 1 -ATOM 12 O O . ASN A 1 2 ? 40.766 1.493 10.589 1.00 8.81 ? 2 ASN A O 1 -ATOM 13 C CB . ASN A 1 2 ? 40.263 -1.542 12.190 1.00 9.89 ? 2 ASN A CB 1 -ATOM 14 C CG . ASN A 1 2 ? 41.181 -0.987 13.243 1.00 11.97 ? 2 ASN A CG 1 -ATOM 15 O OD1 . ASN A 1 2 ? 41.156 0.229 13.501 1.00 10.52 ? 2 ASN A OD1 1 -ATOM 16 N ND2 . ASN A 1 2 ? 42.042 -1.829 13.757 1.00 11.18 ? 2 ASN A ND2 1 -ATOM 17 N N . ILE A 1 3 ? 38.739 0.870 11.203 1.00 11.55 ? 3 ILE A N 1 -ATOM 18 C CA . ILE A 1 3 ? 38.263 2.262 11.258 1.00 12.53 ? 3 ILE A CA 1 -ATOM 19 C C . ILE A 1 3 ? 39.101 3.201 12.114 1.00 12.70 ? 3 ILE A C 1 -ATOM 20 O O . ILE A 1 3 ? 39.251 4.393 11.820 1.00 9.55 ? 3 ILE A O 1 -ATOM 21 C CB . ILE A 1 3 ? 36.761 2.364 11.618 1.00 8.76 ? 3 ILE A CB 1 -ATOM 22 C CG1 . ILE A 1 3 ? 36.092 3.732 11.386 1.00 9.53 ? 3 ILE A CG1 1 -ATOM 23 C CG2 . ILE A 1 3 ? 36.429 1.754 13.015 1.00 9.11 ? 3 ILE A CG2 1 -ATOM 24 C CD1 . ILE A 1 3 ? 36.268 4.431 10.003 1.00 9.27 ? 3 ILE A CD1 1 -ATOM 25 N N . PHE A 1 4 ? 39.578 2.709 13.250 1.00 4.96 ? 4 PHE A N 1 -ATOM 26 C CA . PHE A 1 4 ? 40.279 3.612 14.110 1.00 7.28 ? 4 PHE A CA 1 -ATOM 27 C C . PHE A 1 4 ? 41.573 4.030 13.484 1.00 7.87 ? 4 PHE A C 1 -ATOM 28 O O . PHE A 1 4 ? 41.973 5.169 13.485 1.00 11.94 ? 4 PHE A O 1 -ATOM 29 C CB . PHE A 1 4 ? 40.524 2.903 15.441 1.00 10.22 ? 4 PHE A CB 1 -ATOM 30 C CG . PHE A 1 4 ? 39.289 2.931 16.332 1.00 7.09 ? 4 PHE A CG 1 -ATOM 31 C CD1 . PHE A 1 4 ? 38.994 4.035 17.136 1.00 16.62 ? 4 PHE A CD1 1 -ATOM 32 C CD2 . PHE A 1 4 ? 38.432 1.828 16.360 1.00 9.58 ? 4 PHE A CD2 1 -ATOM 33 C CE1 . PHE A 1 4 ? 37.877 4.056 17.966 1.00 23.05 ? 4 PHE A CE1 1 -ATOM 34 C CE2 . PHE A 1 4 ? 37.266 1.862 17.148 1.00 15.29 ? 4 PHE A CE2 1 -ATOM 35 C CZ . PHE A 1 4 ? 37.027 2.953 17.979 1.00 12.53 ? 4 PHE A CZ 1 -ATOM 36 N N . GLU A 1 5 ? 42.228 3.019 12.911 1.00 10.51 ? 5 GLU A N 1 -ATOM 37 C CA . GLU A 1 5 ? 43.482 3.292 12.273 1.00 11.02 ? 5 GLU A CA 1 -ATOM 38 C C . GLU A 1 5 ? 43.315 4.201 11.081 1.00 9.08 ? 5 GLU A C 1 -ATOM 39 O O . GLU A 1 5 ? 44.109 5.056 10.841 1.00 12.54 ? 5 GLU A O 1 -ATOM 40 C CB . GLU A 1 5 ? 44.143 2.037 11.767 1.00 9.15 ? 5 GLU A CB 1 -ATOM 41 C CG . GLU A 1 5 ? 44.611 1.092 12.896 1.00 16.72 ? 5 GLU A CG 1 -ATOM 42 C CD . GLU A 1 5 ? 45.160 -0.246 12.402 1.00 32.56 ? 5 GLU A CD 1 -ATOM 43 O OE1 . GLU A 1 5 ? 45.144 -0.612 11.242 1.00 55.75 ? 5 GLU A OE1 1 -ATOM 44 O OE2 . GLU A 1 5 ? 45.701 -0.961 13.355 1.00 38.37 ? 5 GLU A OE2 1 -ATOM 45 N N . MET A 1 6 ? 42.251 3.960 10.303 1.00 7.15 ? 6 MET A N 1 -ATOM 46 C CA . MET A 1 6 ? 42.004 4.767 9.146 1.00 1.76 ? 6 MET A CA 1 -ATOM 47 C C . MET A 1 6 ? 41.783 6.196 9.538 1.00 13.68 ? 6 MET A C 1 -ATOM 48 O O . MET A 1 6 ? 42.366 7.115 8.949 1.00 12.81 ? 6 MET A O 1 -ATOM 49 C CB . MET A 1 6 ? 40.678 4.249 8.514 1.00 7.40 ? 6 MET A CB 1 -ATOM 50 C CG . MET A 1 6 ? 40.295 4.915 7.207 1.00 7.81 ? 6 MET A CG 1 -ATOM 51 S SD . MET A 1 6 ? 38.556 4.542 6.883 1.00 13.75 ? 6 MET A SD 1 -ATOM 52 C CE . MET A 1 6 ? 38.399 4.700 5.080 1.00 15.30 ? 6 MET A CE 1 -ATOM 53 N N . LEU A 1 7 ? 40.897 6.420 10.474 1.00 10.05 ? 7 LEU A N 1 -ATOM 54 C CA . LEU A 1 7 ? 40.629 7.805 10.868 1.00 5.30 ? 7 LEU A CA 1 -ATOM 55 C C . LEU A 1 7 ? 41.855 8.422 11.510 1.00 18.47 ? 7 LEU A C 1 -ATOM 56 O O . LEU A 1 7 ? 42.118 9.604 11.411 1.00 13.16 ? 7 LEU A O 1 -ATOM 57 C CB . LEU A 1 7 ? 39.455 7.930 11.819 1.00 8.25 ? 7 LEU A CB 1 -ATOM 58 C CG . LEU A 1 7 ? 38.209 7.942 11.019 1.00 9.31 ? 7 LEU A CG 1 -ATOM 59 C CD1 . LEU A 1 7 ? 37.151 7.522 11.981 1.00 15.22 ? 7 LEU A CD1 1 -ATOM 60 C CD2 . LEU A 1 7 ? 37.934 9.358 10.508 1.00 11.37 ? 7 LEU A CD2 1 -ATOM 61 N N . ARG A 1 8 ? 42.634 7.617 12.175 1.00 10.58 ? 8 ARG A N 1 -ATOM 62 C CA . ARG A 1 8 ? 43.832 8.196 12.778 1.00 12.55 ? 8 ARG A CA 1 -ATOM 63 C C . ARG A 1 8 ? 44.788 8.741 11.726 1.00 15.46 ? 8 ARG A C 1 -ATOM 64 O O . ARG A 1 8 ? 45.407 9.771 11.913 1.00 16.13 ? 8 ARG A O 1 -ATOM 65 C CB . ARG A 1 8 ? 44.488 7.265 13.759 1.00 9.78 ? 8 ARG A CB 1 -ATOM 66 C CG . ARG A 1 8 ? 45.915 7.714 14.103 1.00 21.10 ? 8 ARG A CG 1 -ATOM 67 C CD . ARG A 1 8 ? 45.938 8.513 15.396 1.00 32.17 ? 8 ARG A CD 1 -ATOM 68 N NE . ARG A 1 8 ? 47.259 8.912 15.891 1.00 45.79 ? 8 ARG A NE 1 -ATOM 69 C CZ . ARG A 1 8 ? 48.104 9.733 15.253 1.00 57.18 ? 8 ARG A CZ 1 -ATOM 70 N NH1 . ARG A 1 8 ? 47.826 10.210 14.045 1.00 27.61 ? 8 ARG A NH1 1 -ATOM 71 N NH2 . ARG A 1 8 ? 49.277 10.062 15.811 1.00 51.22 ? 8 ARG A NH2 1 -ATOM 72 N N . ILE A 1 9 ? 44.849 8.102 10.591 1.00 11.93 ? 9 ILE A N 1 -ATOM 73 C CA . ILE A 1 9 ? 45.674 8.549 9.491 1.00 11.16 ? 9 ILE A CA 1 -ATOM 74 C C . ILE A 1 9 ? 45.020 9.783 8.877 1.00 13.07 ? 9 ILE A C 1 -ATOM 75 O O . ILE A 1 9 ? 45.674 10.777 8.596 1.00 16.75 ? 9 ILE A O 1 -ATOM 76 C CB . ILE A 1 9 ? 45.846 7.407 8.478 1.00 16.55 ? 9 ILE A CB 1 -ATOM 77 C CG1 . ILE A 1 9 ? 46.932 6.413 8.951 1.00 12.29 ? 9 ILE A CG1 1 -ATOM 78 C CG2 . ILE A 1 9 ? 46.199 7.951 7.099 1.00 6.88 ? 9 ILE A CG2 1 -ATOM 79 C CD1 . ILE A 1 9 ? 46.820 5.059 8.273 1.00 12.88 ? 9 ILE A CD1 1 -ATOM 80 N N . ASP A 1 10 ? 43.710 9.803 8.746 1.00 9.15 ? 10 ASP A N 1 -ATOM 81 C CA . ASP A 1 10 ? 43.082 10.957 8.165 1.00 5.25 ? 10 ASP A CA 1 -ATOM 82 C C . ASP A 1 10 ? 43.093 12.240 8.991 1.00 17.16 ? 10 ASP A C 1 -ATOM 83 O O . ASP A 1 10 ? 43.156 13.275 8.438 1.00 13.51 ? 10 ASP A O 1 -ATOM 84 C CB . ASP A 1 10 ? 41.633 10.658 7.716 1.00 8.66 ? 10 ASP A CB 1 -ATOM 85 C CG . ASP A 1 10 ? 41.683 9.852 6.422 1.00 14.43 ? 10 ASP A CG 1 -ATOM 86 O OD1 . ASP A 1 10 ? 42.637 9.929 5.668 1.00 10.02 ? 10 ASP A OD1 1 -ATOM 87 O OD2 . ASP A 1 10 ? 40.678 9.024 6.221 1.00 13.42 ? 10 ASP A OD2 1 -ATOM 88 N N . GLU A 1 11 ? 42.912 12.127 10.304 1.00 10.77 ? 11 GLU A N 1 -ATOM 89 C CA . GLU A 1 11 ? 42.797 13.272 11.177 1.00 10.56 ? 11 GLU A CA 1 -ATOM 90 C C . GLU A 1 11 ? 44.071 13.739 11.842 1.00 12.69 ? 11 GLU A C 1 -ATOM 91 O O . GLU A 1 11 ? 44.132 14.903 12.217 1.00 15.33 ? 11 GLU A O 1 -ATOM 92 C CB . GLU A 1 11 ? 41.732 12.946 12.249 1.00 9.02 ? 11 GLU A CB 1 -ATOM 93 C CG . GLU A 1 11 ? 40.429 12.670 11.530 1.00 16.77 ? 11 GLU A CG 1 -ATOM 94 C CD . GLU A 1 11 ? 39.682 13.873 11.047 1.00 21.82 ? 11 GLU A CD 1 -ATOM 95 O OE1 . GLU A 1 11 ? 40.302 15.012 11.273 1.00 21.57 ? 11 GLU A OE1 1 -ATOM 96 O OE2 . GLU A 1 11 ? 38.608 13.739 10.480 1.00 15.34 ? 11 GLU A OE2 1 -ATOM 97 N N . GLY A 1 12 ? 45.036 12.829 12.009 1.00 8.77 ? 12 GLY A N 1 -ATOM 98 C CA . GLY A 1 12 ? 46.263 12.991 12.777 1.00 24.86 ? 12 GLY A CA 1 -ATOM 99 C C . GLY A 1 12 ? 45.932 13.044 14.286 1.00 22.81 ? 12 GLY A C 1 -ATOM 100 O O . GLY A 1 12 ? 44.844 12.644 14.709 1.00 15.82 ? 12 GLY A O 1 -ATOM 101 N N . LEU A 1 13 ? 46.879 13.576 15.081 1.00 26.39 ? 13 LEU A N 1 -ATOM 102 C CA . LEU A 1 13 ? 46.722 13.750 16.525 1.00 21.85 ? 13 LEU A CA 1 -ATOM 103 C C . LEU A 1 13 ? 47.500 14.967 16.983 1.00 25.03 ? 13 LEU A C 1 -ATOM 104 O O . LEU A 1 13 ? 48.718 15.008 16.842 1.00 17.53 ? 13 LEU A O 1 -ATOM 105 C CB . LEU A 1 13 ? 47.316 12.523 17.214 1.00 24.67 ? 13 LEU A CB 1 -ATOM 106 C CG . LEU A 1 13 ? 47.661 12.540 18.699 1.00 49.24 ? 13 LEU A CG 1 -ATOM 107 C CD1 . LEU A 1 13 ? 46.386 12.662 19.537 1.00 32.92 ? 13 LEU A CD1 1 -ATOM 108 C CD2 . LEU A 1 13 ? 48.306 11.176 18.945 1.00 39.44 ? 13 LEU A CD2 1 -ATOM 109 N N . ARG A 1 14 ? 46.779 15.883 17.592 1.00 22.16 ? 14 ARG A N 1 -ATOM 110 C CA . ARG A 1 14 ? 47.304 17.098 18.219 1.00 23.22 ? 14 ARG A CA 1 -ATOM 111 C C . ARG A 1 14 ? 46.764 17.242 19.591 1.00 15.13 ? 14 ARG A C 1 -ATOM 112 O O . ARG A 1 14 ? 45.561 16.991 19.890 1.00 13.36 ? 14 ARG A O 1 -ATOM 113 C CB . ARG A 1 14 ? 47.159 18.362 17.416 1.00 22.64 ? 14 ARG A CB 1 -ATOM 114 C CG . ARG A 1 14 ? 47.928 18.141 16.138 1.00 26.43 ? 14 ARG A CG 1 -ATOM 115 C CD . ARG A 1 14 ? 47.848 19.307 15.168 1.00 37.44 ? 14 ARG A CD 1 -ATOM 116 N NE . ARG A 1 14 ? 48.465 20.561 15.626 1.00 49.93 ? 14 ARG A NE 1 -ATOM 117 C CZ . ARG A 1 14 ? 48.515 21.677 14.865 1.00 59.42 ? 14 ARG A CZ 1 -ATOM 118 N NH1 . ARG A 1 14 ? 47.992 21.716 13.631 1.00 53.42 ? 14 ARG A NH1 1 -ATOM 119 N NH2 . ARG A 1 14 ? 49.095 22.788 15.338 1.00 51.99 ? 14 ARG A NH2 1 -ATOM 120 N N . LEU A 1 15 ? 47.700 17.601 20.461 1.00 17.40 ? 15 LEU A N 1 -ATOM 121 C CA . LEU A 1 15 ? 47.353 17.678 21.863 1.00 24.23 ? 15 LEU A CA 1 -ATOM 122 C C . LEU A 1 15 ? 46.991 19.045 22.349 1.00 31.74 ? 15 LEU A C 1 -ATOM 123 O O . LEU A 1 15 ? 46.563 19.191 23.497 1.00 24.54 ? 15 LEU A O 1 -ATOM 124 C CB . LEU A 1 15 ? 48.390 17.034 22.772 1.00 18.99 ? 15 LEU A CB 1 -ATOM 125 C CG . LEU A 1 15 ? 48.691 15.605 22.369 1.00 24.75 ? 15 LEU A CG 1 -ATOM 126 C CD1 . LEU A 1 15 ? 49.791 15.056 23.246 1.00 25.54 ? 15 LEU A CD1 1 -ATOM 127 C CD2 . LEU A 1 15 ? 47.437 14.765 22.582 1.00 23.72 ? 15 LEU A CD2 1 -ATOM 128 N N . LYS A 1 16 ? 47.170 20.023 21.480 1.00 14.53 ? 16 LYS A N 1 -ATOM 129 C CA . LYS A 1 16 ? 46.808 21.368 21.830 1.00 18.19 ? 16 LYS A CA 1 -ATOM 130 C C . LYS A 1 16 ? 45.672 21.741 20.938 1.00 23.02 ? 16 LYS A C 1 -ATOM 131 O O . LYS A 1 16 ? 45.521 21.178 19.848 1.00 24.18 ? 16 LYS A O 1 -ATOM 132 C CB . LYS A 1 16 ? 47.936 22.421 21.685 1.00 29.15 ? 16 LYS A CB 1 -ATOM 133 C CG . LYS A 1 16 ? 49.337 21.826 21.825 1.00 57.24 ? 16 LYS A CG 1 -ATOM 134 C CD . LYS A 1 16 ? 50.363 22.641 22.632 1.00 55.00 ? 16 LYS A CD 1 -ATOM 135 C CE . LYS A 1 16 ? 50.786 22.024 23.980 1.00 59.84 ? 16 LYS A CE 1 -ATOM 136 N NZ . LYS A 1 16 ? 51.390 22.937 25.004 1.00 64.28 ? 16 LYS A NZ 1 -ATOM 137 N N . ILE A 1 17 ? 44.892 22.713 21.407 1.00 16.63 ? 17 ILE A N 1 -ATOM 138 C CA . ILE A 1 17 ? 43.783 23.182 20.574 1.00 9.65 ? 17 ILE A CA 1 -ATOM 139 C C . ILE A 1 17 ? 44.347 23.669 19.217 1.00 34.93 ? 17 ILE A C 1 -ATOM 140 O O . ILE A 1 17 ? 45.382 24.355 19.197 1.00 17.54 ? 17 ILE A O 1 -ATOM 141 C CB . ILE A 1 17 ? 43.060 24.297 21.296 1.00 15.99 ? 17 ILE A CB 1 -ATOM 142 C CG1 . ILE A 1 17 ? 42.190 23.773 22.417 1.00 26.59 ? 17 ILE A CG1 1 -ATOM 143 C CG2 . ILE A 1 17 ? 42.216 25.135 20.337 1.00 18.63 ? 17 ILE A CG2 1 -ATOM 144 C CD1 . ILE A 1 17 ? 41.459 24.934 23.101 1.00 12.56 ? 17 ILE A CD1 1 -ATOM 145 N N . TYR A 1 18 ? 43.706 23.340 18.087 1.00 13.93 ? 18 TYR A N 1 -ATOM 146 C CA . TYR A 1 18 ? 44.245 23.771 16.772 1.00 24.88 ? 18 TYR A CA 1 -ATOM 147 C C . TYR A 1 18 ? 43.081 24.154 15.857 1.00 26.31 ? 18 TYR A C 1 -ATOM 148 O O . TYR A 1 18 ? 41.942 23.834 16.183 1.00 27.08 ? 18 TYR A O 1 -ATOM 149 C CB . TYR A 1 18 ? 45.171 22.668 16.111 1.00 19.11 ? 18 TYR A CB 1 -ATOM 150 C CG . TYR A 1 18 ? 44.452 21.346 15.768 1.00 22.35 ? 18 TYR A CG 1 -ATOM 151 C CD1 . TYR A 1 18 ? 44.234 20.332 16.716 1.00 11.77 ? 18 TYR A CD1 1 -ATOM 152 C CD2 . TYR A 1 18 ? 43.969 21.127 14.472 1.00 22.46 ? 18 TYR A CD2 1 -ATOM 153 C CE1 . TYR A 1 18 ? 43.549 19.168 16.341 1.00 29.37 ? 18 TYR A CE1 1 -ATOM 154 C CE2 . TYR A 1 18 ? 43.280 19.967 14.075 1.00 22.91 ? 18 TYR A CE2 1 -ATOM 155 C CZ . TYR A 1 18 ? 43.026 19.000 15.044 1.00 18.79 ? 18 TYR A CZ 1 -ATOM 156 O OH . TYR A 1 18 ? 42.352 17.858 14.709 1.00 32.32 ? 18 TYR A OH 1 -ATOM 157 N N . LYS A 1 19 ? 43.323 24.840 14.737 1.00 15.67 ? 19 LYS A N 1 -ATOM 158 C CA . LYS A 1 19 ? 42.233 25.043 13.790 1.00 15.57 ? 19 LYS A CA 1 -ATOM 159 C C . LYS A 1 19 ? 42.243 23.959 12.711 1.00 13.53 ? 19 LYS A C 1 -ATOM 160 O O . LYS A 1 19 ? 43.262 23.640 12.119 1.00 18.35 ? 19 LYS A O 1 -ATOM 161 C CB . LYS A 1 19 ? 42.291 26.348 13.080 1.00 23.93 ? 19 LYS A CB 1 -ATOM 162 C CG . LYS A 1 19 ? 42.005 27.437 14.073 1.00 19.78 ? 19 LYS A CG 1 -ATOM 163 C CD . LYS A 1 19 ? 41.722 28.779 13.412 1.00 33.01 ? 19 LYS A CD 1 -ATOM 164 C CE . LYS A 1 19 ? 41.834 29.962 14.368 1.00 36.67 ? 19 LYS A CE 1 -ATOM 165 N NZ . LYS A 1 19 ? 41.545 31.308 13.809 1.00 43.57 ? 19 LYS A NZ 1 -ATOM 166 N N . ASP A 1 20 ? 41.067 23.416 12.457 1.00 21.01 ? 20 ASP A N 1 -ATOM 167 C CA . ASP A 1 20 ? 40.928 22.434 11.404 1.00 16.09 ? 20 ASP A CA 1 -ATOM 168 C C . ASP A 1 20 ? 41.019 23.130 10.032 1.00 18.65 ? 20 ASP A C 1 -ATOM 169 O O . ASP A 1 20 ? 41.237 24.328 9.966 1.00 17.83 ? 20 ASP A O 1 -ATOM 170 C CB . ASP A 1 20 ? 39.680 21.561 11.547 1.00 16.59 ? 20 ASP A CB 1 -ATOM 171 C CG . ASP A 1 20 ? 38.351 22.222 11.276 1.00 20.19 ? 20 ASP A CG 1 -ATOM 172 O OD1 . ASP A 1 20 ? 38.394 23.425 10.796 1.00 22.87 ? 20 ASP A OD1 1 -ATOM 173 O OD2 . ASP A 1 20 ? 37.341 21.599 11.290 1.00 24.83 ? 20 ASP A OD2 1 -ATOM 174 N N . THR A 1 21 ? 40.727 22.365 8.981 1.00 21.87 ? 21 THR A N 1 -ATOM 175 C CA . THR A 1 21 ? 40.828 22.793 7.577 1.00 36.23 ? 21 THR A CA 1 -ATOM 176 C C . THR A 1 21 ? 39.877 23.947 7.235 1.00 43.73 ? 21 THR A C 1 -ATOM 177 O O . THR A 1 21 ? 40.138 24.711 6.304 1.00 16.81 ? 21 THR A O 1 -ATOM 178 C CB . THR A 1 21 ? 40.733 21.631 6.514 1.00 42.89 ? 21 THR A CB 1 -ATOM 179 O OG1 . THR A 1 21 ? 39.395 21.215 6.452 1.00 38.88 ? 21 THR A OG1 1 -ATOM 180 C CG2 . THR A 1 21 ? 41.552 20.349 6.772 1.00 37.90 ? 21 THR A CG2 1 -ATOM 181 N N . GLU A 1 22 ? 38.807 24.074 8.032 1.00 23.72 ? 22 GLU A N 1 -ATOM 182 C CA . GLU A 1 22 ? 37.734 25.063 7.867 1.00 20.37 ? 22 GLU A CA 1 -ATOM 183 C C . GLU A 1 22 ? 37.910 26.247 8.777 1.00 18.14 ? 22 GLU A C 1 -ATOM 184 O O . GLU A 1 22 ? 37.104 27.166 8.740 1.00 28.59 ? 22 GLU A O 1 -ATOM 185 C CB . GLU A 1 22 ? 36.428 24.414 8.298 1.00 19.92 ? 22 GLU A CB 1 -ATOM 186 C CG . GLU A 1 22 ? 35.831 23.394 7.310 1.00 45.77 ? 22 GLU A CG 1 -ATOM 187 C CD . GLU A 1 22 ? 35.276 23.955 6.025 1.00 53.80 ? 22 GLU A CD 1 -ATOM 188 O OE1 . GLU A 1 22 ? 34.036 24.395 6.122 1.00 52.31 ? 22 GLU A OE1 1 -ATOM 189 O OE2 . GLU A 1 22 ? 35.854 23.820 4.968 1.00 52.11 ? 22 GLU A OE2 1 -ATOM 190 N N . GLY A 1 23 ? 38.962 26.136 9.626 1.00 16.32 ? 23 GLY A N 1 -ATOM 191 C CA . GLY A 1 23 ? 39.347 27.109 10.612 1.00 11.48 ? 23 GLY A CA 1 -ATOM 192 C C . GLY A 1 23 ? 38.583 26.981 11.930 1.00 26.09 ? 23 GLY A C 1 -ATOM 193 O O . GLY A 1 23 ? 38.504 27.942 12.673 1.00 22.40 ? 23 GLY A O 1 -ATOM 194 N N . TYR A 1 24 ? 38.039 25.812 12.249 1.00 16.49 ? 24 TYR A N 1 -ATOM 195 C CA . TYR A 1 24 ? 37.332 25.658 13.512 1.00 16.88 ? 24 TYR A CA 1 -ATOM 196 C C . TYR A 1 24 ? 38.244 25.064 14.527 1.00 32.97 ? 24 TYR A C 1 -ATOM 197 O O . TYR A 1 24 ? 38.999 24.162 14.207 1.00 20.68 ? 24 TYR A O 1 -ATOM 198 C CB . TYR A 1 24 ? 36.217 24.628 13.387 1.00 12.70 ? 24 TYR A CB 1 -ATOM 199 C CG . TYR A 1 24 ? 35.210 25.128 12.404 1.00 23.19 ? 24 TYR A CG 1 -ATOM 200 C CD1 . TYR A 1 24 ? 34.898 26.472 12.387 1.00 30.77 ? 24 TYR A CD1 1 -ATOM 201 C CD2 . TYR A 1 24 ? 34.563 24.284 11.489 1.00 24.39 ? 24 TYR A CD2 1 -ATOM 202 C CE1 . TYR A 1 24 ? 33.984 26.982 11.461 1.00 56.58 ? 24 TYR A CE1 1 -ATOM 203 C CE2 . TYR A 1 24 ? 33.674 24.781 10.538 1.00 28.57 ? 24 TYR A CE2 1 -ATOM 204 C CZ . TYR A 1 24 ? 33.391 26.140 10.516 1.00 48.25 ? 24 TYR A CZ 1 -ATOM 205 O OH . TYR A 1 24 ? 32.462 26.653 9.636 1.00 48.60 ? 24 TYR A OH 1 -ATOM 206 N N . TYR A 1 25 ? 38.073 25.477 15.759 1.00 18.85 ? 25 TYR A N 1 -ATOM 207 C CA . TYR A 1 25 ? 38.819 24.938 16.871 1.00 7.26 ? 25 TYR A CA 1 -ATOM 208 C C . TYR A 1 25 ? 38.495 23.464 17.098 1.00 12.12 ? 25 TYR A C 1 -ATOM 209 O O . TYR A 1 25 ? 37.338 23.057 17.244 1.00 12.04 ? 25 TYR A O 1 -ATOM 210 C CB . TYR A 1 25 ? 38.444 25.799 18.104 1.00 21.36 ? 25 TYR A CB 1 -ATOM 211 C CG . TYR A 1 25 ? 39.014 27.176 18.002 1.00 21.47 ? 25 TYR A CG 1 -ATOM 212 C CD1 . TYR A 1 25 ? 40.404 27.297 17.899 1.00 21.43 ? 25 TYR A CD1 1 -ATOM 213 C CD2 . TYR A 1 25 ? 38.211 28.309 18.091 1.00 16.14 ? 25 TYR A CD2 1 -ATOM 214 C CE1 . TYR A 1 25 ? 40.976 28.563 17.843 1.00 27.85 ? 25 TYR A CE1 1 -ATOM 215 C CE2 . TYR A 1 25 ? 38.757 29.586 18.014 1.00 17.58 ? 25 TYR A CE2 1 -ATOM 216 C CZ . TYR A 1 25 ? 40.148 29.686 17.911 1.00 22.36 ? 25 TYR A CZ 1 -ATOM 217 O OH . TYR A 1 25 ? 40.743 30.908 17.908 1.00 41.69 ? 25 TYR A OH 1 -ATOM 218 N N . THR A 1 26 ? 39.594 22.699 17.158 1.00 9.93 ? 26 THR A N 1 -ATOM 219 C CA . THR A 1 26 ? 39.609 21.247 17.248 1.00 10.83 ? 26 THR A CA 1 -ATOM 220 C C . THR A 1 26 ? 40.680 20.786 18.221 1.00 19.85 ? 26 THR A C 1 -ATOM 221 O O . THR A 1 26 ? 41.650 21.472 18.506 1.00 16.87 ? 26 THR A O 1 -ATOM 222 C CB . THR A 1 26 ? 39.880 20.759 15.765 1.00 14.21 ? 26 THR A CB 1 -ATOM 223 O OG1 . THR A 1 26 ? 38.876 21.277 14.901 1.00 13.49 ? 26 THR A OG1 1 -ATOM 224 C CG2 . THR A 1 26 ? 39.893 19.234 15.590 1.00 9.40 ? 26 THR A CG2 1 -ATOM 225 N N . ILE A 1 27 ? 40.590 19.568 18.724 1.00 11.50 ? 27 ILE A N 1 -ATOM 226 C CA . ILE A 1 27 ? 41.693 19.024 19.481 1.00 13.74 ? 27 ILE A CA 1 -ATOM 227 C C . ILE A 1 27 ? 41.729 17.526 19.223 1.00 12.88 ? 27 ILE A C 1 -ATOM 228 O O . ILE A 1 27 ? 40.728 16.936 18.780 1.00 12.65 ? 27 ILE A O 1 -ATOM 229 C CB . ILE A 1 27 ? 41.714 19.386 21.001 1.00 23.18 ? 27 ILE A CB 1 -ATOM 230 C CG1 . ILE A 1 27 ? 43.031 19.029 21.742 1.00 14.45 ? 27 ILE A CG1 1 -ATOM 231 C CG2 . ILE A 1 27 ? 40.519 18.729 21.652 1.00 17.70 ? 27 ILE A CG2 1 -ATOM 232 C CD1 . ILE A 1 27 ? 43.415 19.932 22.904 1.00 13.65 ? 27 ILE A CD1 1 -ATOM 233 N N . GLY A 1 28 ? 42.839 16.910 19.554 1.00 9.43 ? 28 GLY A N 1 -ATOM 234 C CA . GLY A 1 28 ? 42.957 15.451 19.520 1.00 13.79 ? 28 GLY A CA 1 -ATOM 235 C C . GLY A 1 28 ? 42.964 14.818 18.137 1.00 15.39 ? 28 GLY A C 1 -ATOM 236 O O . GLY A 1 28 ? 43.750 15.208 17.277 1.00 17.34 ? 28 GLY A O 1 -ATOM 237 N N . ILE A 1 29 ? 42.100 13.854 17.915 1.00 14.15 ? 29 ILE A N 1 -ATOM 238 C CA . ILE A 1 29 ? 42.018 13.192 16.613 1.00 9.92 ? 29 ILE A CA 1 -ATOM 239 C C . ILE A 1 29 ? 40.744 13.658 15.927 1.00 12.21 ? 29 ILE A C 1 -ATOM 240 O O . ILE A 1 29 ? 39.720 12.966 15.892 1.00 10.52 ? 29 ILE A O 1 -ATOM 241 C CB . ILE A 1 29 ? 42.028 11.690 16.869 1.00 19.97 ? 29 ILE A CB 1 -ATOM 242 C CG1 . ILE A 1 29 ? 43.284 11.422 17.711 1.00 14.74 ? 29 ILE A CG1 1 -ATOM 243 C CG2 . ILE A 1 29 ? 41.922 10.851 15.585 1.00 13.78 ? 29 ILE A CG2 1 -ATOM 244 C CD1 . ILE A 1 29 ? 43.451 9.979 18.181 1.00 18.88 ? 29 ILE A CD1 1 -ATOM 245 N N . GLY A 1 30 ? 40.791 14.882 15.462 1.00 8.70 ? 30 GLY A N 1 -ATOM 246 C CA . GLY A 1 30 ? 39.684 15.470 14.752 1.00 6.95 ? 30 GLY A CA 1 -ATOM 247 C C . GLY A 1 30 ? 38.473 15.709 15.622 1.00 10.14 ? 30 GLY A C 1 -ATOM 248 O O . GLY A 1 30 ? 37.366 15.667 15.148 1.00 18.12 ? 30 GLY A O 1 -ATOM 249 N N . HIS A 1 31 ? 38.641 16.025 16.882 1.00 10.05 ? 31 HIS A N 1 -ATOM 250 C CA . HIS A 1 31 ? 37.458 16.291 17.702 1.00 14.80 ? 31 HIS A CA 1 -ATOM 251 C C . HIS A 1 31 ? 37.078 17.775 17.635 1.00 11.10 ? 31 HIS A C 1 -ATOM 252 O O . HIS A 1 31 ? 37.753 18.629 18.234 1.00 13.72 ? 31 HIS A O 1 -ATOM 253 C CB . HIS A 1 31 ? 37.689 15.916 19.214 1.00 12.94 ? 31 HIS A CB 1 -ATOM 254 C CG . HIS A 1 31 ? 36.445 16.163 20.025 1.00 11.72 ? 31 HIS A CG 1 -ATOM 255 N ND1 . HIS A 1 31 ? 35.392 15.272 19.996 1.00 11.05 ? 31 HIS A ND1 1 -ATOM 256 C CD2 . HIS A 1 31 ? 36.065 17.223 20.833 1.00 17.71 ? 31 HIS A CD2 1 -ATOM 257 C CE1 . HIS A 1 31 ? 34.406 15.782 20.741 1.00 10.65 ? 31 HIS A CE1 1 -ATOM 258 N NE2 . HIS A 1 31 ? 34.795 16.938 21.303 1.00 10.80 ? 31 HIS A NE2 1 -ATOM 259 N N . LEU A 1 32 ? 36.025 18.110 16.945 1.00 13.09 ? 32 LEU A N 1 -ATOM 260 C CA . LEU A 1 32 ? 35.662 19.538 16.829 1.00 17.55 ? 32 LEU A CA 1 -ATOM 261 C C . LEU A 1 32 ? 35.188 20.125 18.129 1.00 12.62 ? 32 LEU A C 1 -ATOM 262 O O . LEU A 1 32 ? 34.333 19.559 18.828 1.00 18.23 ? 32 LEU A O 1 -ATOM 263 C CB . LEU A 1 32 ? 34.548 19.664 15.798 1.00 12.06 ? 32 LEU A CB 1 -ATOM 264 C CG . LEU A 1 32 ? 33.946 21.056 15.850 1.00 39.29 ? 32 LEU A CG 1 -ATOM 265 C CD1 . LEU A 1 32 ? 34.955 22.059 15.302 1.00 29.16 ? 32 LEU A CD1 1 -ATOM 266 C CD2 . LEU A 1 32 ? 32.727 21.060 14.958 1.00 30.74 ? 32 LEU A CD2 1 -ATOM 267 N N . LEU A 1 33 ? 35.682 21.261 18.496 1.00 15.07 ? 33 LEU A N 1 -ATOM 268 C CA . LEU A 1 33 ? 35.201 21.766 19.767 1.00 12.46 ? 33 LEU A CA 1 -ATOM 269 C C . LEU A 1 33 ? 34.087 22.726 19.576 1.00 30.11 ? 33 LEU A C 1 -ATOM 270 O O . LEU A 1 33 ? 33.148 22.709 20.328 1.00 19.01 ? 33 LEU A O 1 -ATOM 271 C CB . LEU A 1 33 ? 36.298 22.455 20.605 1.00 15.82 ? 33 LEU A CB 1 -ATOM 272 C CG . LEU A 1 33 ? 37.372 21.469 21.060 1.00 12.61 ? 33 LEU A CG 1 -ATOM 273 C CD1 . LEU A 1 33 ? 38.620 22.249 21.415 1.00 13.76 ? 33 LEU A CD1 1 -ATOM 274 C CD2 . LEU A 1 33 ? 36.905 20.710 22.305 1.00 11.06 ? 33 LEU A CD2 1 -ATOM 275 N N . THR A 1 34 ? 34.244 23.599 18.606 1.00 19.77 ? 34 THR A N 1 -ATOM 276 C CA . THR A 1 34 ? 33.287 24.639 18.376 1.00 19.29 ? 34 THR A CA 1 -ATOM 277 C C . THR A 1 34 ? 33.598 25.321 17.087 1.00 28.97 ? 34 THR A C 1 -ATOM 278 O O . THR A 1 34 ? 34.765 25.475 16.720 1.00 20.68 ? 34 THR A O 1 -ATOM 279 C CB . THR A 1 34 ? 33.395 25.757 19.460 1.00 29.67 ? 34 THR A CB 1 -ATOM 280 O OG1 . THR A 1 34 ? 32.284 26.618 19.333 1.00 33.21 ? 34 THR A OG1 1 -ATOM 281 C CG2 . THR A 1 34 ? 34.706 26.576 19.467 1.00 21.86 ? 34 THR A CG2 1 -ATOM 282 N N . LYS A 1 35 ? 32.543 25.857 16.518 1.00 18.20 ? 35 LYS A N 1 -ATOM 283 C CA . LYS A 1 35 ? 32.599 26.623 15.300 1.00 40.48 ? 35 LYS A CA 1 -ATOM 284 C C . LYS A 1 35 ? 32.740 28.137 15.548 1.00 43.55 ? 35 LYS A C 1 -ATOM 285 O O . LYS A 1 35 ? 33.018 28.919 14.634 1.00 40.76 ? 35 LYS A O 1 -ATOM 286 C CB . LYS A 1 35 ? 31.357 26.298 14.513 1.00 33.34 ? 35 LYS A CB 1 -ATOM 287 C CG . LYS A 1 35 ? 31.304 24.856 14.028 1.00 43.24 ? 35 LYS A CG 1 -ATOM 288 C CD . LYS A 1 35 ? 30.371 24.753 12.836 1.00 26.84 ? 35 LYS A CD 1 -ATOM 289 C CE . LYS A 1 35 ? 29.926 23.361 12.398 1.00 56.60 ? 35 LYS A CE 1 -ATOM 290 N NZ . LYS A 1 35 ? 28.692 23.383 11.579 1.00 69.30 ? 35 LYS A NZ 1 -ATOM 291 N N . SER A 1 36 ? 32.559 28.540 16.805 1.00 26.94 ? 36 SER A N 1 -ATOM 292 C CA . SER A 1 36 ? 32.702 29.923 17.226 1.00 51.70 ? 36 SER A CA 1 -ATOM 293 C C . SER A 1 36 ? 34.144 30.333 17.129 1.00 26.75 ? 36 SER A C 1 -ATOM 294 O O . SER A 1 36 ? 35.074 29.591 17.444 1.00 25.77 ? 36 SER A O 1 -ATOM 295 C CB . SER A 1 36 ? 32.112 30.219 18.614 1.00 35.18 ? 36 SER A CB 1 -ATOM 296 O OG . SER A 1 36 ? 32.860 31.171 19.358 1.00 49.78 ? 36 SER A OG 1 -ATOM 297 N N . PRO A 1 37 ? 34.337 31.562 16.722 1.00 49.48 ? 37 PRO A N 1 -ATOM 298 C CA . PRO A 1 37 ? 35.684 32.007 16.524 1.00 44.28 ? 37 PRO A CA 1 -ATOM 299 C C . PRO A 1 37 ? 36.337 32.470 17.784 1.00 44.75 ? 37 PRO A C 1 -ATOM 300 O O . PRO A 1 37 ? 37.436 33.012 17.742 1.00 49.96 ? 37 PRO A O 1 -ATOM 301 C CB . PRO A 1 37 ? 35.608 33.139 15.543 1.00 43.83 ? 37 PRO A CB 1 -ATOM 302 C CG . PRO A 1 37 ? 34.249 33.738 15.850 1.00 33.21 ? 37 PRO A CG 1 -ATOM 303 C CD . PRO A 1 37 ? 33.367 32.619 16.364 1.00 24.09 ? 37 PRO A CD 1 -ATOM 304 N N . SER A 1 38 ? 35.699 32.202 18.911 1.00 50.66 ? 38 SER A N 1 -ATOM 305 C CA . SER A 1 38 ? 36.335 32.540 20.169 1.00 25.31 ? 38 SER A CA 1 -ATOM 306 C C . SER A 1 38 ? 37.093 31.354 20.790 1.00 47.23 ? 38 SER A C 1 -ATOM 307 O O . SER A 1 38 ? 36.497 30.300 21.040 1.00 19.71 ? 38 SER A O 1 -ATOM 308 C CB . SER A 1 38 ? 35.369 33.061 21.227 1.00 42.82 ? 38 SER A CB 1 -ATOM 309 O OG . SER A 1 38 ? 36.039 33.045 22.489 1.00 42.20 ? 38 SER A OG 1 -ATOM 310 N N . LEU A 1 39 ? 38.380 31.581 21.130 1.00 26.23 ? 39 LEU A N 1 -ATOM 311 C CA . LEU A 1 39 ? 39.304 30.622 21.775 1.00 35.71 ? 39 LEU A CA 1 -ATOM 312 C C . LEU A 1 39 ? 38.851 30.290 23.187 1.00 30.65 ? 39 LEU A C 1 -ATOM 313 O O . LEU A 1 39 ? 38.968 29.181 23.733 1.00 25.02 ? 39 LEU A O 1 -ATOM 314 C CB . LEU A 1 39 ? 40.779 31.086 21.709 1.00 21.84 ? 39 LEU A CB 1 -ATOM 315 C CG . LEU A 1 39 ? 41.790 30.132 22.364 1.00 30.29 ? 39 LEU A CG 1 -ATOM 316 C CD1 . LEU A 1 39 ? 41.776 28.749 21.724 1.00 42.31 ? 39 LEU A CD1 1 -ATOM 317 C CD2 . LEU A 1 39 ? 43.210 30.687 22.370 1.00 25.46 ? 39 LEU A CD2 1 -ATOM 318 N N . ASN A 1 40 ? 38.256 31.281 23.777 1.00 26.42 ? 40 ASN A N 1 -ATOM 319 C CA . ASN A 1 40 ? 37.700 31.018 25.064 1.00 29.10 ? 40 ASN A CA 1 -ATOM 320 C C . ASN A 1 40 ? 36.529 30.102 24.949 1.00 23.32 ? 40 ASN A C 1 -ATOM 321 O O . ASN A 1 40 ? 36.388 29.179 25.762 1.00 25.59 ? 40 ASN A O 1 -ATOM 322 C CB . ASN A 1 40 ? 37.231 32.285 25.740 1.00 51.01 ? 40 ASN A CB 1 -ATOM 323 C CG . ASN A 1 40 ? 38.457 32.887 26.332 1.00 51.02 ? 40 ASN A CG 1 -ATOM 324 O OD1 . ASN A 1 40 ? 39.502 32.214 26.445 1.00 68.72 ? 40 ASN A OD1 1 -ATOM 325 N ND2 . ASN A 1 40 ? 38.364 34.178 26.607 1.00 77.36 ? 40 ASN A ND2 1 -ATOM 326 N N . ALA A 1 41 ? 35.659 30.357 23.976 1.00 15.86 ? 41 ALA A N 1 -ATOM 327 C CA . ALA A 1 41 ? 34.551 29.433 23.894 1.00 20.18 ? 41 ALA A CA 1 -ATOM 328 C C . ALA A 1 41 ? 35.127 28.012 23.701 1.00 21.76 ? 41 ALA A C 1 -ATOM 329 O O . ALA A 1 41 ? 34.598 27.034 24.197 1.00 25.05 ? 41 ALA A O 1 -ATOM 330 C CB . ALA A 1 41 ? 33.557 29.835 22.825 1.00 18.84 ? 41 ALA A CB 1 -ATOM 331 N N . ALA A 1 42 ? 36.249 27.889 23.001 1.00 19.07 ? 42 ALA A N 1 -ATOM 332 C CA . ALA A 1 42 ? 36.822 26.562 22.772 1.00 23.96 ? 42 ALA A CA 1 -ATOM 333 C C . ALA A 1 42 ? 37.407 25.913 23.997 1.00 19.69 ? 42 ALA A C 1 -ATOM 334 O O . ALA A 1 42 ? 37.316 24.695 24.205 1.00 16.56 ? 42 ALA A O 1 -ATOM 335 C CB . ALA A 1 42 ? 37.847 26.554 21.655 1.00 34.90 ? 42 ALA A CB 1 -ATOM 336 N N . LYS A 1 43 ? 38.089 26.713 24.784 1.00 17.00 ? 43 LYS A N 1 -ATOM 337 C CA . LYS A 1 43 ? 38.679 26.206 25.982 1.00 16.98 ? 43 LYS A CA 1 -ATOM 338 C C . LYS A 1 43 ? 37.607 25.739 26.932 1.00 14.10 ? 43 LYS A C 1 -ATOM 339 O O . LYS A 1 43 ? 37.762 24.759 27.628 1.00 27.14 ? 43 LYS A O 1 -ATOM 340 C CB . LYS A 1 43 ? 39.368 27.311 26.678 1.00 18.77 ? 43 LYS A CB 1 -ATOM 341 C CG . LYS A 1 43 ? 40.786 27.349 26.199 1.00 41.18 ? 43 LYS A CG 1 -ATOM 342 C CD . LYS A 1 43 ? 41.333 28.762 26.183 1.00 47.69 ? 43 LYS A CD 1 -ATOM 343 C CE . LYS A 1 43 ? 42.578 29.017 27.049 1.00 66.99 ? 43 LYS A CE 1 -ATOM 344 N NZ . LYS A 1 43 ? 43.833 28.335 26.655 1.00 67.80 ? 43 LYS A NZ 1 -ATOM 345 N N . SER A 1 44 ? 36.493 26.443 26.921 1.00 14.45 ? 44 SER A N 1 -ATOM 346 C CA . SER A 1 44 ? 35.423 26.044 27.808 1.00 13.64 ? 44 SER A CA 1 -ATOM 347 C C . SER A 1 44 ? 34.751 24.759 27.347 1.00 20.22 ? 44 SER A C 1 -ATOM 348 O O . SER A 1 44 ? 34.424 23.919 28.147 1.00 16.72 ? 44 SER A O 1 -ATOM 349 C CB . SER A 1 44 ? 34.396 27.194 28.013 1.00 21.35 ? 44 SER A CB 1 -ATOM 350 O OG . SER A 1 44 ? 33.078 26.756 28.310 1.00 44.60 ? 44 SER A OG 1 -ATOM 351 N N . GLU A 1 45 ? 34.570 24.604 26.044 1.00 16.86 ? 45 GLU A N 1 -ATOM 352 C CA . GLU A 1 45 ? 33.995 23.379 25.550 1.00 12.77 ? 45 GLU A CA 1 -ATOM 353 C C . GLU A 1 45 ? 34.950 22.254 25.857 1.00 26.12 ? 45 GLU A C 1 -ATOM 354 O O . GLU A 1 45 ? 34.562 21.142 26.231 1.00 19.93 ? 45 GLU A O 1 -ATOM 355 C CB . GLU A 1 45 ? 33.984 23.485 24.063 1.00 13.86 ? 45 GLU A CB 1 -ATOM 356 C CG . GLU A 1 45 ? 32.729 24.254 23.589 1.00 22.73 ? 45 GLU A CG 1 -ATOM 357 C CD . GLU A 1 45 ? 31.373 23.747 24.091 1.00 40.11 ? 45 GLU A CD 1 -ATOM 358 O OE1 . GLU A 1 45 ? 31.029 22.600 24.058 1.00 21.35 ? 45 GLU A OE1 1 -ATOM 359 O OE2 . GLU A 1 45 ? 30.509 24.677 24.439 1.00 29.85 ? 45 GLU A OE2 1 -ATOM 360 N N . LEU A 1 46 ? 36.235 22.566 25.704 1.00 17.34 ? 46 LEU A N 1 -ATOM 361 C CA . LEU A 1 46 ? 37.257 21.550 26.006 1.00 17.69 ? 46 LEU A CA 1 -ATOM 362 C C . LEU A 1 46 ? 37.200 21.041 27.462 1.00 14.02 ? 46 LEU A C 1 -ATOM 363 O O . LEU A 1 46 ? 37.167 19.860 27.748 1.00 13.84 ? 46 LEU A O 1 -ATOM 364 C CB . LEU A 1 46 ? 38.694 22.007 25.699 1.00 14.70 ? 46 LEU A CB 1 -ATOM 365 C CG . LEU A 1 46 ? 39.783 20.976 26.065 1.00 13.94 ? 46 LEU A CG 1 -ATOM 366 C CD1 . LEU A 1 46 ? 39.511 19.665 25.324 1.00 14.12 ? 46 LEU A CD1 1 -ATOM 367 C CD2 . LEU A 1 46 ? 41.148 21.503 25.593 1.00 14.26 ? 46 LEU A CD2 1 -ATOM 368 N N . ASP A 1 47 ? 37.229 21.932 28.436 1.00 15.55 ? 47 ASP A N 1 -ATOM 369 C CA . ASP A 1 47 ? 37.204 21.455 29.814 1.00 12.43 ? 47 ASP A CA 1 -ATOM 370 C C . ASP A 1 47 ? 35.905 20.770 30.150 1.00 18.59 ? 47 ASP A C 1 -ATOM 371 O O . ASP A 1 47 ? 35.853 19.834 30.981 1.00 16.68 ? 47 ASP A O 1 -ATOM 372 C CB . ASP A 1 47 ? 37.325 22.646 30.727 1.00 22.50 ? 47 ASP A CB 1 -ATOM 373 C CG . ASP A 1 47 ? 38.656 23.306 30.632 1.00 27.51 ? 47 ASP A CG 1 -ATOM 374 O OD1 . ASP A 1 47 ? 39.651 22.894 30.043 1.00 25.77 ? 47 ASP A OD1 1 -ATOM 375 O OD2 . ASP A 1 47 ? 38.533 24.475 31.114 1.00 25.80 ? 47 ASP A OD2 1 -ATOM 376 N N . LYS A 1 48 ? 34.839 21.267 29.528 1.00 12.62 ? 48 LYS A N 1 -ATOM 377 C CA . LYS A 1 48 ? 33.540 20.577 29.702 1.00 14.67 ? 48 LYS A CA 1 -ATOM 378 C C . LYS A 1 48 ? 33.593 19.111 29.166 1.00 12.54 ? 48 LYS A C 1 -ATOM 379 O O . LYS A 1 48 ? 33.101 18.164 29.749 1.00 12.15 ? 48 LYS A O 1 -ATOM 380 C CB . LYS A 1 48 ? 32.446 21.362 29.001 1.00 17.08 ? 48 LYS A CB 1 -ATOM 381 C CG . LYS A 1 48 ? 31.117 20.631 28.870 1.00 8.41 ? 48 LYS A CG 1 -ATOM 382 C CD . LYS A 1 48 ? 29.991 21.574 28.474 1.00 26.05 ? 48 LYS A CD 1 -ATOM 383 C CE . LYS A 1 48 ? 30.203 22.233 27.130 1.00 29.92 ? 48 LYS A CE 1 -ATOM 384 N NZ . LYS A 1 48 ? 29.658 21.464 26.016 1.00 15.36 ? 48 LYS A NZ 1 -ATOM 385 N N . ALA A 1 49 ? 34.239 18.911 28.031 1.00 10.57 ? 49 ALA A N 1 -ATOM 386 C CA . ALA A 1 49 ? 34.358 17.574 27.423 1.00 23.59 ? 49 ALA A CA 1 -ATOM 387 C C . ALA A 1 49 ? 35.245 16.591 28.201 1.00 11.45 ? 49 ALA A C 1 -ATOM 388 O O . ALA A 1 49 ? 34.959 15.417 28.314 1.00 11.76 ? 49 ALA A O 1 -ATOM 389 C CB . ALA A 1 49 ? 34.896 17.730 26.007 1.00 14.95 ? 49 ALA A CB 1 -ATOM 390 N N . ILE A 1 50 ? 36.327 17.114 28.758 1.00 9.45 ? 50 ILE A N 1 -ATOM 391 C CA . ILE A 1 50 ? 37.321 16.359 29.505 1.00 10.77 ? 50 ILE A CA 1 -ATOM 392 C C . ILE A 1 50 ? 37.019 16.252 30.968 1.00 21.64 ? 50 ILE A C 1 -ATOM 393 O O . ILE A 1 50 ? 37.454 15.320 31.651 1.00 24.87 ? 50 ILE A O 1 -ATOM 394 C CB . ILE A 1 50 ? 38.687 17.019 29.307 1.00 11.26 ? 50 ILE A CB 1 -ATOM 395 C CG1 . ILE A 1 50 ? 38.994 16.996 27.813 1.00 21.33 ? 50 ILE A CG1 1 -ATOM 396 C CG2 . ILE A 1 50 ? 39.789 16.416 30.193 1.00 10.62 ? 50 ILE A CG2 1 -ATOM 397 C CD1 . ILE A 1 50 ? 39.060 15.581 27.254 1.00 28.87 ? 50 ILE A CD1 1 -ATOM 398 N N . GLY A 1 51 ? 36.305 17.237 31.451 1.00 23.98 ? 51 GLY A N 1 -ATOM 399 C CA . GLY A 1 51 ? 35.962 17.236 32.836 1.00 19.85 ? 51 GLY A CA 1 -ATOM 400 C C . GLY A 1 51 ? 37.067 17.754 33.733 1.00 38.67 ? 51 GLY A C 1 -ATOM 401 O O . GLY A 1 51 ? 37.089 17.354 34.867 1.00 25.72 ? 51 GLY A O 1 -ATOM 402 N N . ARG A 1 52 ? 37.953 18.631 33.270 1.00 28.79 ? 52 ARG A N 1 -ATOM 403 C CA . ARG A 1 52 ? 38.996 19.218 34.114 1.00 18.14 ? 52 ARG A CA 1 -ATOM 404 C C . ARG A 1 52 ? 39.412 20.511 33.485 1.00 18.53 ? 52 ARG A C 1 -ATOM 405 O O . ARG A 1 52 ? 39.052 20.732 32.317 1.00 18.09 ? 52 ARG A O 1 -ATOM 406 C CB . ARG A 1 52 ? 40.145 18.228 34.327 1.00 35.33 ? 52 ARG A CB 1 -ATOM 407 C CG . ARG A 1 52 ? 41.317 18.245 33.352 1.00 26.13 ? 52 ARG A CG 1 -ATOM 408 C CD . ARG A 1 52 ? 42.086 16.943 33.511 1.00 24.60 ? 52 ARG A CD 1 -ATOM 409 N NE . ARG A 1 52 ? 43.025 16.706 32.423 1.00 29.54 ? 52 ARG A NE 1 -ATOM 410 C CZ . ARG A 1 52 ? 43.884 17.629 32.015 1.00 37.36 ? 52 ARG A CZ 1 -ATOM 411 N NH1 . ARG A 1 52 ? 43.949 18.824 32.587 1.00 33.01 ? 52 ARG A NH1 1 -ATOM 412 N NH2 . ARG A 1 52 ? 44.694 17.364 31.004 1.00 28.53 ? 52 ARG A NH2 1 -ATOM 413 N N . ASN A 1 53 ? 40.119 21.358 34.254 1.00 17.13 ? 53 ASN A N 1 -ATOM 414 C CA . ASN A 1 53 ? 40.656 22.603 33.743 1.00 16.26 ? 53 ASN A CA 1 -ATOM 415 C C . ASN A 1 53 ? 41.841 22.247 32.912 1.00 25.65 ? 53 ASN A C 1 -ATOM 416 O O . ASN A 1 53 ? 42.854 21.816 33.451 1.00 28.30 ? 53 ASN A O 1 -ATOM 417 C CB . ASN A 1 53 ? 41.087 23.555 34.863 1.00 23.34 ? 53 ASN A CB 1 -ATOM 418 C CG . ASN A 1 53 ? 40.077 24.627 34.700 1.00 62.60 ? 53 ASN A CG 1 -ATOM 419 O OD1 . ASN A 1 53 ? 38.907 24.288 34.934 1.00 58.04 ? 53 ASN A OD1 1 -ATOM 420 N ND2 . ASN A 1 53 ? 40.454 25.716 33.996 1.00 46.68 ? 53 ASN A ND2 1 -ATOM 421 N N . THR A 1 54 ? 41.699 22.299 31.606 1.00 25.93 ? 54 THR A N 1 -ATOM 422 C CA . THR A 1 54 ? 42.790 21.792 30.785 1.00 19.82 ? 54 THR A CA 1 -ATOM 423 C C . THR A 1 54 ? 43.827 22.781 30.355 1.00 21.43 ? 54 THR A C 1 -ATOM 424 O O . THR A 1 54 ? 44.954 22.380 30.045 1.00 28.36 ? 54 THR A O 1 -ATOM 425 C CB . THR A 1 54 ? 42.287 21.128 29.493 1.00 23.06 ? 54 THR A CB 1 -ATOM 426 O OG1 . THR A 1 54 ? 41.642 22.117 28.691 1.00 18.04 ? 54 THR A OG1 1 -ATOM 427 C CG2 . THR A 1 54 ? 41.428 19.897 29.831 1.00 23.91 ? 54 THR A CG2 1 -ATOM 428 N N . ASN A 1 55 ? 43.367 24.033 30.257 1.00 27.26 ? 55 ASN A N 1 -ATOM 429 C CA . ASN A 1 55 ? 44.150 25.143 29.767 1.00 41.42 ? 55 ASN A CA 1 -ATOM 430 C C . ASN A 1 55 ? 44.503 24.913 28.297 1.00 54.94 ? 55 ASN A C 1 -ATOM 431 O O . ASN A 1 55 ? 45.527 25.392 27.803 1.00 24.01 ? 55 ASN A O 1 -ATOM 432 C CB . ASN A 1 55 ? 45.365 25.491 30.671 1.00 50.99 ? 55 ASN A CB 1 -ATOM 433 C CG . ASN A 1 55 ? 46.098 26.846 30.507 1.00 40.40 ? 55 ASN A CG 1 -ATOM 434 O OD1 . ASN A 1 55 ? 45.547 27.926 30.185 1.00 47.94 ? 55 ASN A OD1 1 -ATOM 435 N ND2 . ASN A 1 55 ? 47.397 26.783 30.798 1.00 63.97 ? 55 ASN A ND2 1 -ATOM 436 N N . GLY A 1 56 ? 43.635 24.184 27.580 1.00 28.07 ? 56 GLY A N 1 -ATOM 437 C CA . GLY A 1 56 ? 43.824 23.955 26.145 1.00 26.34 ? 56 GLY A CA 1 -ATOM 438 C C . GLY A 1 56 ? 44.812 22.862 25.729 1.00 19.67 ? 56 GLY A C 1 -ATOM 439 O O . GLY A 1 56 ? 45.184 22.801 24.556 1.00 21.63 ? 56 GLY A O 1 -ATOM 440 N N . VAL A 1 57 ? 45.233 22.014 26.681 1.00 17.74 ? 57 VAL A N 1 -ATOM 441 C CA . VAL A 1 57 ? 46.153 20.896 26.421 1.00 17.01 ? 57 VAL A CA 1 -ATOM 442 C C . VAL A 1 57 ? 45.543 19.622 27.024 1.00 25.63 ? 57 VAL A C 1 -ATOM 443 O O . VAL A 1 57 ? 45.003 19.691 28.117 1.00 20.85 ? 57 VAL A O 1 -ATOM 444 C CB . VAL A 1 57 ? 47.562 21.112 27.017 1.00 31.01 ? 57 VAL A CB 1 -ATOM 445 C CG1 . VAL A 1 57 ? 48.504 19.936 26.723 1.00 39.81 ? 57 VAL A CG1 1 -ATOM 446 C CG2 . VAL A 1 57 ? 48.174 22.344 26.383 1.00 41.52 ? 57 VAL A CG2 1 -ATOM 447 N N . ILE A 1 58 ? 45.610 18.458 26.340 1.00 13.71 ? 58 ILE A N 1 -ATOM 448 C CA . ILE A 1 58 ? 45.038 17.266 26.949 1.00 11.26 ? 58 ILE A CA 1 -ATOM 449 C C . ILE A 1 58 ? 46.100 16.239 26.831 1.00 12.29 ? 58 ILE A C 1 -ATOM 450 O O . ILE A 1 58 ? 47.094 16.543 26.208 1.00 23.82 ? 58 ILE A O 1 -ATOM 451 C CB . ILE A 1 58 ? 43.754 16.871 26.216 1.00 16.54 ? 58 ILE A CB 1 -ATOM 452 C CG1 . ILE A 1 58 ? 44.039 16.685 24.718 1.00 13.49 ? 58 ILE A CG1 1 -ATOM 453 C CG2 . ILE A 1 58 ? 42.635 17.910 26.450 1.00 10.80 ? 58 ILE A CG2 1 -ATOM 454 C CD1 . ILE A 1 58 ? 42.892 15.955 24.010 1.00 13.93 ? 58 ILE A CD1 1 -ATOM 455 N N . THR A 1 59 ? 45.983 15.029 27.391 1.00 12.86 ? 59 THR A N 1 -ATOM 456 C CA . THR A 1 59 ? 47.026 14.047 27.176 1.00 15.44 ? 59 THR A CA 1 -ATOM 457 C C . THR A 1 59 ? 46.584 13.161 26.039 1.00 21.23 ? 59 THR A C 1 -ATOM 458 O O . THR A 1 59 ? 45.432 13.198 25.678 1.00 18.59 ? 59 THR A O 1 -ATOM 459 C CB . THR A 1 59 ? 47.052 13.067 28.365 1.00 28.52 ? 59 THR A CB 1 -ATOM 460 O OG1 . THR A 1 59 ? 45.798 12.398 28.502 1.00 24.71 ? 59 THR A OG1 1 -ATOM 461 C CG2 . THR A 1 59 ? 47.354 13.809 29.637 1.00 25.75 ? 59 THR A CG2 1 -ATOM 462 N N . LYS A 1 60 ? 47.436 12.220 25.656 1.00 18.57 ? 60 LYS A N 1 -ATOM 463 C CA . LYS A 1 60 ? 47.152 11.236 24.631 1.00 14.81 ? 60 LYS A CA 1 -ATOM 464 C C . LYS A 1 60 ? 45.937 10.379 24.941 1.00 12.99 ? 60 LYS A C 1 -ATOM 465 O O . LYS A 1 60 ? 45.073 10.069 24.121 1.00 13.42 ? 60 LYS A O 1 -ATOM 466 C CB . LYS A 1 60 ? 48.353 10.328 24.452 1.00 23.87 ? 60 LYS A CB 1 -ATOM 467 C CG . LYS A 1 60 ? 48.120 9.469 23.211 1.00 54.04 ? 60 LYS A CG 1 -ATOM 468 C CD . LYS A 1 60 ? 49.337 8.775 22.613 1.00 49.19 ? 60 LYS A CD 1 -ATOM 469 C CE . LYS A 1 60 ? 49.015 7.928 21.376 1.00 55.96 ? 60 LYS A CE 1 -ATOM 470 N NZ . LYS A 1 60 ? 50.116 7.858 20.386 1.00 55.37 ? 60 LYS A NZ 1 -ATOM 471 N N . ASP A 1 61 ? 45.882 9.978 26.193 1.00 20.72 ? 61 ASP A N 1 -ATOM 472 C CA . ASP A 1 61 ? 44.796 9.199 26.701 1.00 21.03 ? 61 ASP A CA 1 -ATOM 473 C C . ASP A 1 61 ? 43.463 9.910 26.592 1.00 16.68 ? 61 ASP A C 1 -ATOM 474 O O . ASP A 1 61 ? 42.425 9.306 26.289 1.00 11.88 ? 61 ASP A O 1 -ATOM 475 C CB . ASP A 1 61 ? 45.110 8.865 28.148 1.00 24.79 ? 61 ASP A CB 1 -ATOM 476 C CG . ASP A 1 61 ? 45.706 7.504 28.128 1.00 58.45 ? 61 ASP A CG 1 -ATOM 477 O OD1 . ASP A 1 61 ? 45.013 6.499 28.051 1.00 71.85 ? 61 ASP A OD1 1 -ATOM 478 O OD2 . ASP A 1 61 ? 47.005 7.527 27.962 1.00 51.08 ? 61 ASP A OD2 1 -ATOM 479 N N . GLU A 1 62 ? 43.505 11.187 26.931 1.00 16.68 ? 62 GLU A N 1 -ATOM 480 C CA . GLU A 1 62 ? 42.308 11.977 26.852 1.00 16.45 ? 62 GLU A CA 1 -ATOM 481 C C . GLU A 1 62 ? 41.947 12.098 25.393 1.00 21.57 ? 62 GLU A C 1 -ATOM 482 O O . GLU A 1 62 ? 40.807 12.043 25.057 1.00 11.97 ? 62 GLU A O 1 -ATOM 483 C CB . GLU A 1 62 ? 42.547 13.377 27.398 1.00 21.59 ? 62 GLU A CB 1 -ATOM 484 C CG . GLU A 1 62 ? 42.283 13.417 28.885 1.00 18.29 ? 62 GLU A CG 1 -ATOM 485 C CD . GLU A 1 62 ? 43.017 14.503 29.658 1.00 16.77 ? 62 GLU A CD 1 -ATOM 486 O OE1 . GLU A 1 62 ? 43.779 15.300 29.177 1.00 18.23 ? 62 GLU A OE1 1 -ATOM 487 O OE2 . GLU A 1 62 ? 42.721 14.453 30.921 1.00 28.66 ? 62 GLU A OE2 1 -ATOM 488 N N . ALA A 1 63 ? 42.936 12.235 24.499 1.00 9.37 ? 63 ALA A N 1 -ATOM 489 C CA . ALA A 1 63 ? 42.549 12.315 23.117 1.00 10.08 ? 63 ALA A CA 1 -ATOM 490 C C . ALA A 1 63 ? 41.884 11.051 22.618 1.00 12.19 ? 63 ALA A C 1 -ATOM 491 O O . ALA A 1 63 ? 40.965 11.073 21.817 1.00 15.08 ? 63 ALA A O 1 -ATOM 492 C CB . ALA A 1 63 ? 43.734 12.680 22.219 1.00 11.31 ? 63 ALA A CB 1 -ATOM 493 N N . GLU A 1 64 ? 42.439 9.918 23.048 1.00 12.83 ? 64 GLU A N 1 -ATOM 494 C CA . GLU A 1 64 ? 41.943 8.668 22.575 1.00 8.17 ? 64 GLU A CA 1 -ATOM 495 C C . GLU A 1 64 ? 40.590 8.401 23.144 1.00 14.79 ? 64 GLU A C 1 -ATOM 496 O O . GLU A 1 64 ? 39.757 7.771 22.527 1.00 19.08 ? 64 GLU A O 1 -ATOM 497 C CB . GLU A 1 64 ? 42.947 7.617 22.995 1.00 11.56 ? 64 GLU A CB 1 -ATOM 498 C CG . GLU A 1 64 ? 44.140 7.671 22.046 1.00 14.91 ? 64 GLU A CG 1 -ATOM 499 C CD . GLU A 1 64 ? 45.165 6.667 22.436 1.00 33.40 ? 64 GLU A CD 1 -ATOM 500 O OE1 . GLU A 1 64 ? 45.304 6.222 23.584 1.00 42.33 ? 64 GLU A OE1 1 -ATOM 501 O OE2 . GLU A 1 64 ? 45.859 6.318 21.400 1.00 28.97 ? 64 GLU A OE2 1 -ATOM 502 N N . LYS A 1 65 ? 40.323 8.980 24.270 1.00 12.93 ? 65 LYS A N 1 -ATOM 503 C CA . LYS A 1 65 ? 38.998 8.792 24.848 1.00 13.76 ? 65 LYS A CA 1 -ATOM 504 C C . LYS A 1 65 ? 37.976 9.549 24.066 1.00 15.64 ? 65 LYS A C 1 -ATOM 505 O O . LYS A 1 65 ? 36.922 9.003 23.751 1.00 14.35 ? 65 LYS A O 1 -ATOM 506 C CB . LYS A 1 65 ? 38.933 9.164 26.310 1.00 16.83 ? 65 LYS A CB 1 -ATOM 507 C CG . LYS A 1 65 ? 37.660 8.643 26.990 1.00 28.47 ? 65 LYS A CG 1 -ATOM 508 C CD . LYS A 1 65 ? 37.469 9.074 28.446 1.00 54.01 ? 65 LYS A CD 1 -ATOM 509 C CE . LYS A 1 65 ? 36.143 8.590 29.041 1.00 59.70 ? 65 LYS A CE 1 -ATOM 510 N NZ . LYS A 1 65 ? 36.196 8.209 30.468 1.00 56.15 ? 65 LYS A NZ 1 -ATOM 511 N N . LEU A 1 66 ? 38.278 10.794 23.698 1.00 11.21 ? 66 LEU A N 1 -ATOM 512 C CA . LEU A 1 66 ? 37.336 11.515 22.852 1.00 5.20 ? 66 LEU A CA 1 -ATOM 513 C C . LEU A 1 66 ? 37.147 10.799 21.527 1.00 11.36 ? 66 LEU A C 1 -ATOM 514 O O . LEU A 1 66 ? 36.026 10.793 21.014 1.00 11.97 ? 66 LEU A O 1 -ATOM 515 C CB . LEU A 1 66 ? 37.762 12.928 22.492 1.00 9.82 ? 66 LEU A CB 1 -ATOM 516 C CG . LEU A 1 66 ? 37.821 13.803 23.756 1.00 15.52 ? 66 LEU A CG 1 -ATOM 517 C CD1 . LEU A 1 66 ? 38.556 15.117 23.535 1.00 15.09 ? 66 LEU A CD1 1 -ATOM 518 C CD2 . LEU A 1 66 ? 36.438 14.114 24.295 1.00 19.01 ? 66 LEU A CD2 1 -ATOM 519 N N . PHE A 1 67 ? 38.223 10.220 21.002 1.00 10.15 ? 67 PHE A N 1 -ATOM 520 C CA . PHE A 1 67 ? 38.119 9.523 19.725 1.00 10.26 ? 67 PHE A CA 1 -ATOM 521 C C . PHE A 1 67 ? 37.213 8.332 19.831 1.00 19.41 ? 67 PHE A C 1 -ATOM 522 O O . PHE A 1 67 ? 36.347 8.123 18.972 1.00 16.47 ? 67 PHE A O 1 -ATOM 523 C CB . PHE A 1 67 ? 39.533 9.152 19.288 1.00 11.65 ? 67 PHE A CB 1 -ATOM 524 C CG . PHE A 1 67 ? 39.716 8.492 17.916 1.00 17.13 ? 67 PHE A CG 1 -ATOM 525 C CD1 . PHE A 1 67 ? 39.034 8.912 16.769 1.00 12.23 ? 67 PHE A CD1 1 -ATOM 526 C CD2 . PHE A 1 67 ? 40.732 7.542 17.763 1.00 18.79 ? 67 PHE A CD2 1 -ATOM 527 C CE1 . PHE A 1 67 ? 39.267 8.310 15.526 1.00 7.85 ? 67 PHE A CE1 1 -ATOM 528 C CE2 . PHE A 1 67 ? 41.039 6.996 16.516 1.00 14.82 ? 67 PHE A CE2 1 -ATOM 529 C CZ . PHE A 1 67 ? 40.294 7.377 15.396 1.00 14.95 ? 67 PHE A CZ 1 -ATOM 530 N N . ASN A 1 68 ? 37.402 7.503 20.885 1.00 16.33 ? 68 ASN A N 1 -ATOM 531 C CA . ASN A 1 68 ? 36.528 6.353 21.052 1.00 7.78 ? 68 ASN A CA 1 -ATOM 532 C C . ASN A 1 68 ? 35.074 6.801 21.110 1.00 12.30 ? 68 ASN A C 1 -ATOM 533 O O . ASN A 1 68 ? 34.180 6.160 20.563 1.00 10.46 ? 68 ASN A O 1 -ATOM 534 C CB . ASN A 1 68 ? 36.774 5.525 22.342 1.00 15.47 ? 68 ASN A CB 1 -ATOM 535 C CG . ASN A 1 68 ? 37.968 4.595 22.255 1.00 23.97 ? 68 ASN A CG 1 -ATOM 536 O OD1 . ASN A 1 68 ? 38.074 3.905 21.266 1.00 22.23 ? 68 ASN A OD1 1 -ATOM 537 N ND2 . ASN A 1 68 ? 38.866 4.548 23.275 1.00 25.68 ? 68 ASN A ND2 1 -ATOM 538 N N . GLN A 1 69 ? 34.786 7.856 21.862 1.00 7.79 ? 69 GLN A N 1 -ATOM 539 C CA . GLN A 1 69 ? 33.387 8.322 21.955 1.00 4.49 ? 69 GLN A CA 1 -ATOM 540 C C . GLN A 1 69 ? 32.871 8.787 20.600 1.00 7.35 ? 69 GLN A C 1 -ATOM 541 O O . GLN A 1 69 ? 31.738 8.567 20.250 1.00 13.65 ? 69 GLN A O 1 -ATOM 542 C CB . GLN A 1 69 ? 33.239 9.554 22.879 1.00 13.03 ? 69 GLN A CB 1 -ATOM 543 C CG . GLN A 1 69 ? 33.654 9.116 24.279 1.00 9.57 ? 69 GLN A CG 1 -ATOM 544 C CD . GLN A 1 69 ? 33.689 10.202 25.320 1.00 20.62 ? 69 GLN A CD 1 -ATOM 545 O OE1 . GLN A 1 69 ? 33.744 9.890 26.517 1.00 11.51 ? 69 GLN A OE1 1 -ATOM 546 N NE2 . GLN A 1 69 ? 33.689 11.463 24.894 1.00 15.02 ? 69 GLN A NE2 1 -ATOM 547 N N . ASP A 1 70 ? 33.731 9.477 19.875 1.00 5.21 ? 70 ASP A N 1 -ATOM 548 C CA . ASP A 1 70 ? 33.319 9.981 18.572 1.00 6.99 ? 70 ASP A CA 1 -ATOM 549 C C . ASP A 1 70 ? 33.081 8.889 17.553 1.00 12.25 ? 70 ASP A C 1 -ATOM 550 O O . ASP A 1 70 ? 32.237 9.033 16.738 1.00 9.58 ? 70 ASP A O 1 -ATOM 551 C CB . ASP A 1 70 ? 34.241 11.075 17.980 1.00 11.17 ? 70 ASP A CB 1 -ATOM 552 C CG . ASP A 1 70 ? 34.322 12.385 18.777 1.00 12.59 ? 70 ASP A CG 1 -ATOM 553 O OD1 . ASP A 1 70 ? 33.464 12.793 19.510 1.00 13.44 ? 70 ASP A OD1 1 -ATOM 554 O OD2 . ASP A 1 70 ? 35.441 13.016 18.628 1.00 14.38 ? 70 ASP A OD2 1 -ATOM 555 N N . VAL A 1 71 ? 33.827 7.779 17.580 1.00 9.68 ? 71 VAL A N 1 -ATOM 556 C CA . VAL A 1 71 ? 33.590 6.774 16.607 1.00 9.21 ? 71 VAL A CA 1 -ATOM 557 C C . VAL A 1 71 ? 32.259 6.094 16.911 1.00 15.91 ? 71 VAL A C 1 -ATOM 558 O O . VAL A 1 71 ? 31.469 5.850 16.029 1.00 12.45 ? 71 VAL A O 1 -ATOM 559 C CB . VAL A 1 71 ? 34.771 5.781 16.525 1.00 15.04 ? 71 VAL A CB 1 -ATOM 560 C CG1 . VAL A 1 71 ? 34.432 4.625 15.559 1.00 8.30 ? 71 VAL A CG1 1 -ATOM 561 C CG2 . VAL A 1 71 ? 35.981 6.543 16.008 1.00 8.99 ? 71 VAL A CG2 1 -ATOM 562 N N . ASP A 1 72 ? 32.040 5.877 18.206 1.00 9.21 ? 72 ASP A N 1 -ATOM 563 C CA . ASP A 1 72 ? 30.820 5.221 18.710 1.00 14.10 ? 72 ASP A CA 1 -ATOM 564 C C . ASP A 1 72 ? 29.636 6.054 18.290 1.00 11.15 ? 72 ASP A C 1 -ATOM 565 O O . ASP A 1 72 ? 28.618 5.542 17.822 1.00 13.47 ? 72 ASP A O 1 -ATOM 566 C CB . ASP A 1 72 ? 30.903 5.065 20.244 1.00 14.97 ? 72 ASP A CB 1 -ATOM 567 C CG . ASP A 1 72 ? 29.865 4.250 21.048 1.00 18.69 ? 72 ASP A CG 1 -ATOM 568 O OD1 . ASP A 1 72 ? 29.170 3.383 20.386 1.00 32.09 ? 72 ASP A OD1 1 -ATOM 569 O OD2 . ASP A 1 72 ? 29.728 4.389 22.242 1.00 36.04 ? 72 ASP A OD2 1 -ATOM 570 N N . ALA A 1 73 ? 29.775 7.358 18.499 1.00 10.18 ? 73 ALA A N 1 -ATOM 571 C CA . ALA A 1 73 ? 28.667 8.246 18.114 1.00 18.92 ? 73 ALA A CA 1 -ATOM 572 C C . ALA A 1 73 ? 28.346 8.134 16.613 1.00 16.31 ? 73 ALA A C 1 -ATOM 573 O O . ALA A 1 73 ? 27.183 8.167 16.177 1.00 15.27 ? 73 ALA A O 1 -ATOM 574 C CB . ALA A 1 73 ? 28.961 9.730 18.414 1.00 13.54 ? 73 ALA A CB 1 -ATOM 575 N N . ALA A 1 74 ? 29.416 8.080 15.813 1.00 10.69 ? 74 ALA A N 1 -ATOM 576 C CA . ALA A 1 74 ? 29.253 8.054 14.344 1.00 11.46 ? 74 ALA A CA 1 -ATOM 577 C C . ALA A 1 74 ? 28.469 6.856 13.939 1.00 17.31 ? 74 ALA A C 1 -ATOM 578 O O . ALA A 1 74 ? 27.486 7.015 13.253 1.00 14.43 ? 74 ALA A O 1 -ATOM 579 C CB . ALA A 1 74 ? 30.540 8.147 13.524 1.00 9.85 ? 74 ALA A CB 1 -ATOM 580 N N . VAL A 1 75 ? 28.922 5.688 14.392 1.00 15.96 ? 75 VAL A N 1 -ATOM 581 C CA . VAL A 1 75 ? 28.250 4.453 14.090 1.00 14.85 ? 75 VAL A CA 1 -ATOM 582 C C . VAL A 1 75 ? 26.791 4.523 14.475 1.00 17.79 ? 75 VAL A C 1 -ATOM 583 O O . VAL A 1 75 ? 25.935 4.172 13.668 1.00 25.40 ? 75 VAL A O 1 -ATOM 584 C CB . VAL A 1 75 ? 28.932 3.248 14.750 1.00 15.00 ? 75 VAL A CB 1 -ATOM 585 C CG1 . VAL A 1 75 ? 28.146 1.951 14.487 1.00 10.94 ? 75 VAL A CG1 1 -ATOM 586 C CG2 . VAL A 1 75 ? 30.333 3.093 14.177 1.00 12.99 ? 75 VAL A CG2 1 -ATOM 587 N N . ARG A 1 76 ? 26.544 4.974 15.729 1.00 12.53 ? 76 ARG A N 1 -ATOM 588 C CA . ARG A 1 76 ? 25.209 5.023 16.286 1.00 14.12 ? 76 ARG A CA 1 -ATOM 589 C C . ARG A 1 76 ? 24.289 5.924 15.459 1.00 20.34 ? 76 ARG A C 1 -ATOM 590 O O . ARG A 1 76 ? 23.124 5.615 15.134 1.00 18.48 ? 76 ARG A O 1 -ATOM 591 C CB . ARG A 1 76 ? 25.314 5.332 17.808 1.00 15.42 ? 76 ARG A CB 1 -ATOM 592 C CG . ARG A 1 76 ? 25.760 4.103 18.674 1.00 47.38 ? 76 ARG A CG 1 -ATOM 593 C CD . ARG A 1 76 ? 25.662 4.168 20.240 1.00 51.40 ? 76 ARG A CD 1 -ATOM 594 N NE . ARG A 1 76 ? 24.662 3.234 20.887 1.00 72.47 ? 76 ARG A NE 1 -ATOM 595 C CZ . ARG A 1 76 ? 23.253 3.168 20.899 1.00 61.05 ? 76 ARG A CZ 1 -ATOM 596 N NH1 . ARG A 1 76 ? 22.380 4.010 20.339 1.00 62.39 ? 76 ARG A NH1 1 -ATOM 597 N NH2 . ARG A 1 76 ? 22.637 2.171 21.514 1.00 49.92 ? 76 ARG A NH2 1 -ATOM 598 N N . GLY A 1 77 ? 24.853 7.072 15.114 1.00 10.92 ? 77 GLY A N 1 -ATOM 599 C CA . GLY A 1 77 ? 24.199 8.056 14.318 1.00 12.07 ? 77 GLY A CA 1 -ATOM 600 C C . GLY A 1 77 ? 23.781 7.446 12.984 1.00 25.75 ? 77 GLY A C 1 -ATOM 601 O O . GLY A 1 77 ? 22.690 7.618 12.491 1.00 19.97 ? 77 GLY A O 1 -ATOM 602 N N . ILE A 1 78 ? 24.690 6.742 12.363 1.00 19.79 ? 78 ILE A N 1 -ATOM 603 C CA . ILE A 1 78 ? 24.371 6.086 11.109 1.00 20.96 ? 78 ILE A CA 1 -ATOM 604 C C . ILE A 1 78 ? 23.196 5.143 11.278 1.00 33.66 ? 78 ILE A C 1 -ATOM 605 O O . ILE A 1 78 ? 22.270 5.076 10.456 1.00 14.35 ? 78 ILE A O 1 -ATOM 606 C CB . ILE A 1 78 ? 25.573 5.223 10.621 1.00 13.15 ? 78 ILE A CB 1 -ATOM 607 C CG1 . ILE A 1 78 ? 26.675 6.124 9.998 1.00 12.91 ? 78 ILE A CG1 1 -ATOM 608 C CG2 . ILE A 1 78 ? 25.054 4.228 9.588 1.00 8.12 ? 78 ILE A CG2 1 -ATOM 609 C CD1 . ILE A 1 78 ? 28.030 5.448 9.659 1.00 13.87 ? 78 ILE A CD1 1 -ATOM 610 N N . LEU A 1 79 ? 23.288 4.349 12.341 1.00 16.94 ? 79 LEU A N 1 -ATOM 611 C CA . LEU A 1 79 ? 22.297 3.313 12.557 1.00 18.85 ? 79 LEU A CA 1 -ATOM 612 C C . LEU A 1 79 ? 20.977 3.853 12.910 1.00 28.19 ? 79 LEU A C 1 -ATOM 613 O O . LEU A 1 79 ? 19.956 3.182 12.802 1.00 27.31 ? 79 LEU A O 1 -ATOM 614 C CB . LEU A 1 79 ? 22.697 2.238 13.564 1.00 17.41 ? 79 LEU A CB 1 -ATOM 615 C CG . LEU A 1 79 ? 23.919 1.480 13.092 1.00 27.59 ? 79 LEU A CG 1 -ATOM 616 C CD1 . LEU A 1 79 ? 24.231 0.531 14.207 1.00 22.55 ? 79 LEU A CD1 1 -ATOM 617 C CD2 . LEU A 1 79 ? 23.691 0.671 11.802 1.00 27.11 ? 79 LEU A CD2 1 -ATOM 618 N N . ARG A 1 80 ? 21.013 5.090 13.322 1.00 34.54 ? 80 ARG A N 1 -ATOM 619 C CA . ARG A 1 80 ? 19.788 5.731 13.683 1.00 35.20 ? 80 ARG A CA 1 -ATOM 620 C C . ARG A 1 80 ? 19.168 6.511 12.526 1.00 56.44 ? 80 ARG A C 1 -ATOM 621 O O . ARG A 1 80 ? 18.053 7.032 12.606 1.00 27.76 ? 80 ARG A O 1 -ATOM 622 C CB . ARG A 1 80 ? 20.132 6.717 14.796 1.00 37.45 ? 80 ARG A CB 1 -ATOM 623 C CG . ARG A 1 80 ? 20.103 6.119 16.200 1.00 53.09 ? 80 ARG A CG 1 -ATOM 624 C CD . ARG A 1 80 ? 20.214 7.193 17.314 1.00 68.60 ? 80 ARG A CD 1 -ATOM 625 N NE . ARG A 1 80 ? 21.583 7.543 17.802 1.00 70.13 ? 80 ARG A NE 1 -ATOM 626 C CZ . ARG A 1 80 ? 22.308 8.701 17.664 1.00 64.85 ? 80 ARG A CZ 1 -ATOM 627 N NH1 . ARG A 1 80 ? 21.875 9.783 16.996 1.00 69.03 ? 80 ARG A NH1 1 -ATOM 628 N NH2 . ARG A 1 80 ? 23.544 8.764 18.208 1.00 58.82 ? 80 ARG A NH2 1 -ATOM 629 N N . ASN A 1 81 ? 19.927 6.679 11.467 1.00 27.81 ? 81 ASN A N 1 -ATOM 630 C CA . ASN A 1 81 ? 19.488 7.542 10.416 1.00 23.94 ? 81 ASN A CA 1 -ATOM 631 C C . ASN A 1 81 ? 18.748 6.797 9.341 1.00 31.49 ? 81 ASN A C 1 -ATOM 632 O O . ASN A 1 81 ? 19.218 5.788 8.847 1.00 17.87 ? 81 ASN A O 1 -ATOM 633 C CB . ASN A 1 81 ? 20.688 8.380 9.945 1.00 18.63 ? 81 ASN A CB 1 -ATOM 634 C CG . ASN A 1 81 ? 20.261 9.384 8.924 1.00 30.89 ? 81 ASN A CG 1 -ATOM 635 O OD1 . ASN A 1 81 ? 19.750 9.055 7.865 1.00 28.28 ? 81 ASN A OD1 1 -ATOM 636 N ND2 . ASN A 1 81 ? 20.492 10.627 9.224 1.00 23.08 ? 81 ASN A ND2 1 -ATOM 637 N N . ALA A 1 82 ? 17.544 7.228 9.030 1.00 23.56 ? 82 ALA A N 1 -ATOM 638 C CA . ALA A 1 82 ? 16.741 6.485 8.066 1.00 26.96 ? 82 ALA A CA 1 -ATOM 639 C C . ALA A 1 82 ? 17.326 6.415 6.665 1.00 20.46 ? 82 ALA A C 1 -ATOM 640 O O . ALA A 1 82 ? 17.016 5.562 5.848 1.00 21.79 ? 82 ALA A O 1 -ATOM 641 C CB . ALA A 1 82 ? 15.327 7.028 8.012 1.00 24.35 ? 82 ALA A CB 1 -ATOM 642 N N . LYS A 1 83 ? 18.148 7.357 6.336 1.00 21.74 ? 83 LYS A N 1 -ATOM 643 C CA . LYS A 1 83 ? 18.733 7.327 5.028 1.00 28.13 ? 83 LYS A CA 1 -ATOM 644 C C . LYS A 1 83 ? 20.028 6.555 5.022 1.00 24.57 ? 83 LYS A C 1 -ATOM 645 O O . LYS A 1 83 ? 20.479 6.040 3.997 1.00 25.54 ? 83 LYS A O 1 -ATOM 646 C CB . LYS A 1 83 ? 19.118 8.717 4.594 1.00 38.58 ? 83 LYS A CB 1 -ATOM 647 C CG . LYS A 1 83 ? 18.019 9.474 3.890 1.00 55.09 ? 83 LYS A CG 1 -ATOM 648 C CD . LYS A 1 83 ? 17.362 10.395 4.895 1.00 58.28 ? 83 LYS A CD 1 -ATOM 649 C CE . LYS A 1 83 ? 16.676 11.639 4.351 1.00 62.55 ? 83 LYS A CE 1 -ATOM 650 N NZ . LYS A 1 83 ? 16.576 12.697 5.384 1.00 67.19 ? 83 LYS A NZ 1 -ATOM 651 N N . LEU A 1 84 ? 20.688 6.600 6.156 1.00 20.91 ? 84 LEU A N 1 -ATOM 652 C CA . LEU A 1 84 ? 21.985 6.002 6.185 1.00 11.50 ? 84 LEU A CA 1 -ATOM 653 C C . LEU A 1 84 ? 21.981 4.545 6.495 1.00 16.43 ? 84 LEU A C 1 -ATOM 654 O O . LEU A 1 84 ? 22.746 3.807 5.953 1.00 14.43 ? 84 LEU A O 1 -ATOM 655 C CB . LEU A 1 84 ? 22.949 6.717 7.145 1.00 12.39 ? 84 LEU A CB 1 -ATOM 656 C CG . LEU A 1 84 ? 23.119 8.198 6.831 1.00 18.85 ? 84 LEU A CG 1 -ATOM 657 C CD1 . LEU A 1 84 ? 24.133 8.871 7.750 1.00 18.46 ? 84 LEU A CD1 1 -ATOM 658 C CD2 . LEU A 1 84 ? 23.519 8.418 5.379 1.00 20.12 ? 84 LEU A CD2 1 -ATOM 659 N N . LYS A 1 85 ? 21.247 4.145 7.494 1.00 15.22 ? 85 LYS A N 1 -ATOM 660 C CA . LYS A 1 85 ? 21.300 2.762 7.873 1.00 16.69 ? 85 LYS A CA 1 -ATOM 661 C C . LYS A 1 85 ? 21.150 1.745 6.743 1.00 11.30 ? 85 LYS A C 1 -ATOM 662 O O . LYS A 1 85 ? 21.815 0.727 6.680 1.00 15.06 ? 85 LYS A O 1 -ATOM 663 C CB . LYS A 1 85 ? 20.139 2.599 8.792 1.00 14.62 ? 85 LYS A CB 1 -ATOM 664 C CG . LYS A 1 85 ? 19.950 1.165 9.184 1.00 18.34 ? 85 LYS A CG 1 -ATOM 665 C CD . LYS A 1 85 ? 19.170 0.979 10.466 1.00 21.14 ? 85 LYS A CD 1 -ATOM 666 C CE . LYS A 1 85 ? 19.656 -0.264 11.168 1.00 40.43 ? 85 LYS A CE 1 -ATOM 667 N NZ . LYS A 1 85 ? 19.022 -1.455 10.602 1.00 43.85 ? 85 LYS A NZ 1 -ATOM 668 N N . PRO A 1 86 ? 20.189 1.969 5.839 1.00 17.25 ? 86 PRO A N 1 -ATOM 669 C CA . PRO A 1 86 ? 19.970 0.995 4.797 1.00 29.48 ? 86 PRO A CA 1 -ATOM 670 C C . PRO A 1 86 ? 21.191 0.899 3.931 1.00 21.40 ? 86 PRO A C 1 -ATOM 671 O O . PRO A 1 86 ? 21.525 -0.170 3.446 1.00 11.76 ? 86 PRO A O 1 -ATOM 672 C CB . PRO A 1 86 ? 18.791 1.466 3.948 1.00 17.98 ? 86 PRO A CB 1 -ATOM 673 C CG . PRO A 1 86 ? 18.310 2.754 4.576 1.00 34.98 ? 86 PRO A CG 1 -ATOM 674 C CD . PRO A 1 86 ? 19.295 3.131 5.686 1.00 12.19 ? 86 PRO A CD 1 -ATOM 675 N N . VAL A 1 87 ? 21.855 2.034 3.724 1.00 13.12 ? 87 VAL A N 1 -ATOM 676 C CA . VAL A 1 87 ? 23.107 2.002 2.948 1.00 7.52 ? 87 VAL A CA 1 -ATOM 677 C C . VAL A 1 87 ? 24.208 1.187 3.653 1.00 13.75 ? 87 VAL A C 1 -ATOM 678 O O . VAL A 1 87 ? 24.860 0.286 3.101 1.00 11.77 ? 87 VAL A O 1 -ATOM 679 C CB . VAL A 1 87 ? 23.624 3.369 2.537 1.00 19.50 ? 87 VAL A CB 1 -ATOM 680 C CG1 . VAL A 1 87 ? 24.833 3.143 1.606 1.00 17.68 ? 87 VAL A CG1 1 -ATOM 681 C CG2 . VAL A 1 87 ? 22.451 4.131 1.902 1.00 18.53 ? 87 VAL A CG2 1 -ATOM 682 N N . TYR A 1 88 ? 24.431 1.507 4.892 1.00 10.98 ? 88 TYR A N 1 -ATOM 683 C CA . TYR A 1 88 ? 25.385 0.788 5.716 1.00 13.21 ? 88 TYR A CA 1 -ATOM 684 C C . TYR A 1 88 ? 25.072 -0.704 5.752 1.00 13.96 ? 88 TYR A C 1 -ATOM 685 O O . TYR A 1 88 ? 25.940 -1.570 5.584 1.00 9.49 ? 88 TYR A O 1 -ATOM 686 C CB . TYR A 1 88 ? 25.331 1.442 7.137 1.00 10.99 ? 88 TYR A CB 1 -ATOM 687 C CG . TYR A 1 88 ? 26.372 0.920 8.107 1.00 11.73 ? 88 TYR A CG 1 -ATOM 688 C CD1 . TYR A 1 88 ? 26.117 -0.205 8.879 1.00 17.01 ? 88 TYR A CD1 1 -ATOM 689 C CD2 . TYR A 1 88 ? 27.599 1.563 8.250 1.00 13.24 ? 88 TYR A CD2 1 -ATOM 690 C CE1 . TYR A 1 88 ? 27.038 -0.719 9.786 1.00 25.38 ? 88 TYR A CE1 1 -ATOM 691 C CE2 . TYR A 1 88 ? 28.504 1.109 9.205 1.00 10.65 ? 88 TYR A CE2 1 -ATOM 692 C CZ . TYR A 1 88 ? 28.244 -0.039 9.963 1.00 34.59 ? 88 TYR A CZ 1 -ATOM 693 O OH . TYR A 1 88 ? 29.189 -0.474 10.866 1.00 20.92 ? 88 TYR A OH 1 -ATOM 694 N N . ASP A 1 89 ? 23.818 -1.048 5.958 1.00 19.21 ? 89 ASP A N 1 -ATOM 695 C CA . ASP A 1 89 ? 23.469 -2.460 6.043 1.00 13.22 ? 89 ASP A CA 1 -ATOM 696 C C . ASP A 1 89 ? 23.827 -3.213 4.791 1.00 24.60 ? 89 ASP A C 1 -ATOM 697 O O . ASP A 1 89 ? 24.134 -4.393 4.825 1.00 17.30 ? 89 ASP A O 1 -ATOM 698 C CB . ASP A 1 89 ? 21.963 -2.648 6.305 1.00 15.60 ? 89 ASP A CB 1 -ATOM 699 C CG . ASP A 1 89 ? 21.546 -2.424 7.748 1.00 13.57 ? 89 ASP A CG 1 -ATOM 700 O OD1 . ASP A 1 89 ? 22.535 -2.418 8.570 1.00 17.32 ? 89 ASP A OD1 1 -ATOM 701 O OD2 . ASP A 1 89 ? 20.411 -2.262 8.079 1.00 24.92 ? 89 ASP A OD2 1 -ATOM 702 N N . SER A 1 90 ? 23.780 -2.517 3.657 1.00 13.58 ? 90 SER A N 1 -ATOM 703 C CA . SER A 1 90 ? 24.026 -3.175 2.367 1.00 8.61 ? 90 SER A CA 1 -ATOM 704 C C . SER A 1 90 ? 25.478 -3.400 2.042 1.00 9.78 ? 90 SER A C 1 -ATOM 705 O O . SER A 1 90 ? 25.875 -4.195 1.168 1.00 13.02 ? 90 SER A O 1 -ATOM 706 C CB . SER A 1 90 ? 23.359 -2.352 1.271 1.00 10.83 ? 90 SER A CB 1 -ATOM 707 O OG . SER A 1 90 ? 24.120 -1.181 1.003 1.00 12.00 ? 90 SER A OG 1 -ATOM 708 N N . LEU A 1 91 ? 26.334 -2.685 2.741 1.00 6.57 ? 91 LEU A N 1 -ATOM 709 C CA . LEU A 1 91 ? 27.713 -2.715 2.407 1.00 3.96 ? 91 LEU A CA 1 -ATOM 710 C C . LEU A 1 91 ? 28.527 -3.782 3.119 1.00 14.14 ? 91 LEU A C 1 -ATOM 711 O O . LEU A 1 91 ? 28.172 -4.225 4.213 1.00 12.23 ? 91 LEU A O 1 -ATOM 712 C CB . LEU A 1 91 ? 28.397 -1.358 2.773 1.00 10.35 ? 91 LEU A CB 1 -ATOM 713 C CG . LEU A 1 91 ? 27.859 -0.104 2.003 1.00 11.45 ? 91 LEU A CG 1 -ATOM 714 C CD1 . LEU A 1 91 ? 28.371 1.200 2.630 1.00 11.44 ? 91 LEU A CD1 1 -ATOM 715 C CD2 . LEU A 1 91 ? 28.293 -0.087 0.548 1.00 10.79 ? 91 LEU A CD2 1 -ATOM 716 N N . ASP A 1 92 ? 29.671 -4.064 2.504 1.00 7.63 ? 92 ASP A N 1 -ATOM 717 C CA . ASP A 1 92 ? 30.729 -4.923 3.050 1.00 7.04 ? 92 ASP A CA 1 -ATOM 718 C C . ASP A 1 92 ? 31.495 -4.186 4.132 1.00 17.34 ? 92 ASP A C 1 -ATOM 719 O O . ASP A 1 92 ? 31.338 -2.998 4.339 1.00 11.71 ? 92 ASP A O 1 -ATOM 720 C CB . ASP A 1 92 ? 31.751 -5.428 2.024 1.00 23.46 ? 92 ASP A CB 1 -ATOM 721 C CG . ASP A 1 92 ? 32.467 -4.305 1.334 1.00 12.79 ? 92 ASP A CG 1 -ATOM 722 O OD1 . ASP A 1 92 ? 31.717 -3.803 0.403 1.00 11.37 ? 92 ASP A OD1 1 -ATOM 723 O OD2 . ASP A 1 92 ? 33.529 -3.834 1.691 1.00 15.40 ? 92 ASP A OD2 1 -ATOM 724 N N . THR A 1 93 ? 32.376 -4.912 4.840 1.00 14.77 ? 93 THR A N 1 -ATOM 725 C CA . THR A 1 93 ? 33.053 -4.331 5.967 1.00 10.70 ? 93 THR A CA 1 -ATOM 726 C C . THR A 1 93 ? 33.984 -3.148 5.704 1.00 8.06 ? 93 THR A C 1 -ATOM 727 O O . THR A 1 93 ? 34.039 -2.177 6.480 1.00 11.33 ? 93 THR A O 1 -ATOM 728 C CB . THR A 1 93 ? 33.653 -5.414 6.928 1.00 20.99 ? 93 THR A CB 1 -ATOM 729 O OG1 . THR A 1 93 ? 33.842 -4.932 8.236 1.00 20.49 ? 93 THR A OG1 1 -ATOM 730 C CG2 . THR A 1 93 ? 34.988 -5.914 6.391 1.00 26.97 ? 93 THR A CG2 1 -ATOM 731 N N . VAL A 1 94 ? 34.722 -3.258 4.632 1.00 9.18 ? 94 VAL A N 1 -ATOM 732 C CA . VAL A 1 94 ? 35.601 -2.206 4.306 1.00 5.93 ? 94 VAL A CA 1 -ATOM 733 C C . VAL A 1 94 ? 34.819 -0.986 3.895 1.00 6.81 ? 94 VAL A C 1 -ATOM 734 O O . VAL A 1 94 ? 35.133 0.152 4.254 1.00 11.75 ? 94 VAL A O 1 -ATOM 735 C CB . VAL A 1 94 ? 36.515 -2.694 3.205 1.00 11.30 ? 94 VAL A CB 1 -ATOM 736 C CG1 . VAL A 1 94 ? 37.491 -1.602 2.890 1.00 14.45 ? 94 VAL A CG1 1 -ATOM 737 C CG2 . VAL A 1 94 ? 37.322 -3.863 3.714 1.00 14.01 ? 94 VAL A CG2 1 -ATOM 738 N N . ARG A 1 95 ? 33.803 -1.177 3.102 1.00 5.99 ? 95 ARG A N 1 -ATOM 739 C CA . ARG A 1 95 ? 33.053 0.009 2.650 1.00 10.17 ? 95 ARG A CA 1 -ATOM 740 C C . ARG A 1 95 ? 32.275 0.667 3.745 1.00 15.93 ? 95 ARG A C 1 -ATOM 741 O O . ARG A 1 95 ? 32.034 1.881 3.764 1.00 12.72 ? 95 ARG A O 1 -ATOM 742 C CB . ARG A 1 95 ? 32.226 -0.320 1.416 1.00 8.71 ? 95 ARG A CB 1 -ATOM 743 C CG . ARG A 1 95 ? 33.099 -0.677 0.250 1.00 7.23 ? 95 ARG A CG 1 -ATOM 744 C CD . ARG A 1 95 ? 32.167 -0.758 -0.962 1.00 14.19 ? 95 ARG A CD 1 -ATOM 745 N NE . ARG A 1 95 ? 32.817 -0.990 -2.234 1.00 11.59 ? 95 ARG A NE 1 -ATOM 746 C CZ . ARG A 1 95 ? 33.223 -2.175 -2.710 1.00 14.02 ? 95 ARG A CZ 1 -ATOM 747 N NH1 . ARG A 1 95 ? 33.188 -3.294 -2.005 1.00 14.25 ? 95 ARG A NH1 1 -ATOM 748 N NH2 . ARG A 1 95 ? 33.769 -2.227 -3.916 1.00 10.63 ? 95 ARG A NH2 1 -ATOM 749 N N . ARG A 1 96 ? 31.872 -0.135 4.722 1.00 9.48 ? 96 ARG A N 1 -ATOM 750 C CA . ARG A 1 96 ? 31.204 0.458 5.903 1.00 9.22 ? 96 ARG A CA 1 -ATOM 751 C C . ARG A 1 96 ? 32.136 1.422 6.628 1.00 12.56 ? 96 ARG A C 1 -ATOM 752 O O . ARG A 1 96 ? 31.685 2.445 7.163 1.00 12.27 ? 96 ARG A O 1 -ATOM 753 C CB . ARG A 1 96 ? 30.739 -0.576 6.924 1.00 6.88 ? 96 ARG A CB 1 -ATOM 754 C CG . ARG A 1 96 ? 29.582 -1.436 6.460 1.00 8.94 ? 96 ARG A CG 1 -ATOM 755 C CD . ARG A 1 96 ? 29.307 -2.640 7.364 1.00 13.39 ? 96 ARG A CD 1 -ATOM 756 N NE . ARG A 1 96 ? 28.110 -3.311 6.877 1.00 18.72 ? 96 ARG A NE 1 -ATOM 757 C CZ . ARG A 1 96 ? 27.418 -4.296 7.459 1.00 23.68 ? 96 ARG A CZ 1 -ATOM 758 N NH1 . ARG A 1 96 ? 27.767 -4.801 8.628 1.00 17.94 ? 96 ARG A NH1 1 -ATOM 759 N NH2 . ARG A 1 96 ? 26.318 -4.763 6.842 1.00 14.33 ? 96 ARG A NH2 1 -ATOM 760 N N . ALA A 1 97 ? 33.463 1.077 6.646 1.00 7.96 ? 97 ALA A N 1 -ATOM 761 C CA . ALA A 1 97 ? 34.424 1.952 7.265 1.00 6.09 ? 97 ALA A CA 1 -ATOM 762 C C . ALA A 1 97 ? 34.524 3.258 6.520 1.00 5.88 ? 97 ALA A C 1 -ATOM 763 O O . ALA A 1 97 ? 34.648 4.362 7.138 1.00 10.02 ? 97 ALA A O 1 -ATOM 764 C CB . ALA A 1 97 ? 35.763 1.225 7.352 1.00 7.30 ? 97 ALA A CB 1 -ATOM 765 N N . ALA A 1 98 ? 34.406 3.218 5.213 1.00 9.60 ? 98 ALA A N 1 -ATOM 766 C CA . ALA A 1 98 ? 34.441 4.454 4.408 1.00 13.18 ? 98 ALA A CA 1 -ATOM 767 C C . ALA A 1 98 ? 33.248 5.352 4.735 1.00 15.20 ? 98 ALA A C 1 -ATOM 768 O O . ALA A 1 98 ? 33.342 6.550 4.752 1.00 8.56 ? 98 ALA A O 1 -ATOM 769 C CB . ALA A 1 98 ? 34.468 4.142 2.900 1.00 7.42 ? 98 ALA A CB 1 -ATOM 770 N N . LEU A 1 99 ? 32.072 4.778 4.956 1.00 6.77 ? 99 LEU A N 1 -ATOM 771 C CA . LEU A 1 99 ? 30.882 5.582 5.298 1.00 6.69 ? 99 LEU A CA 1 -ATOM 772 C C . LEU A 1 99 ? 31.013 6.186 6.669 1.00 15.13 ? 99 LEU A C 1 -ATOM 773 O O . LEU A 1 99 ? 30.621 7.317 6.936 1.00 10.97 ? 99 LEU A O 1 -ATOM 774 C CB . LEU A 1 99 ? 29.615 4.685 5.198 1.00 4.88 ? 99 LEU A CB 1 -ATOM 775 C CG . LEU A 1 99 ? 28.323 5.428 5.386 1.00 14.15 ? 99 LEU A CG 1 -ATOM 776 C CD1 . LEU A 1 99 ? 28.065 6.333 4.206 1.00 14.50 ? 99 LEU A CD1 1 -ATOM 777 C CD2 . LEU A 1 99 ? 27.166 4.440 5.472 1.00 24.21 ? 99 LEU A CD2 1 -ATOM 778 N N . ILE A 1 100 ? 31.563 5.412 7.586 1.00 5.13 ? 100 ILE A N 1 -ATOM 779 C CA . ILE A 1 100 ? 31.786 5.944 8.921 1.00 8.79 ? 100 ILE A CA 1 -ATOM 780 C C . ILE A 1 100 ? 32.740 7.168 8.901 1.00 14.02 ? 100 ILE A C 1 -ATOM 781 O O . ILE A 1 100 ? 32.573 8.205 9.583 1.00 10.83 ? 100 ILE A O 1 -ATOM 782 C CB . ILE A 1 100 ? 32.238 4.851 9.921 1.00 12.55 ? 100 ILE A CB 1 -ATOM 783 C CG1 . ILE A 1 100 ? 31.274 3.643 10.124 1.00 6.98 ? 100 ILE A CG1 1 -ATOM 784 C CG2 . ILE A 1 100 ? 32.728 5.496 11.241 1.00 9.03 ? 100 ILE A CG2 1 -ATOM 785 C CD1 . ILE A 1 100 ? 31.990 2.455 10.787 1.00 7.21 ? 100 ILE A CD1 1 -ATOM 786 N N . ASN A 1 101 ? 33.820 7.072 8.111 1.00 10.24 ? 101 ASN A N 1 -ATOM 787 C CA . ASN A 1 101 ? 34.806 8.143 7.992 1.00 6.29 ? 101 ASN A CA 1 -ATOM 788 C C . ASN A 1 101 ? 34.114 9.406 7.502 1.00 12.63 ? 101 ASN A C 1 -ATOM 789 O O . ASN A 1 101 ? 34.266 10.494 8.028 1.00 12.24 ? 101 ASN A O 1 -ATOM 790 C CB . ASN A 1 101 ? 35.842 7.708 6.904 1.00 8.59 ? 101 ASN A CB 1 -ATOM 791 C CG . ASN A 1 101 ? 37.070 8.595 6.814 1.00 10.22 ? 101 ASN A CG 1 -ATOM 792 O OD1 . ASN A 1 101 ? 36.947 9.795 6.629 1.00 15.93 ? 101 ASN A OD1 1 -ATOM 793 N ND2 . ASN A 1 101 ? 38.259 7.994 6.909 1.00 10.93 ? 101 ASN A ND2 1 -ATOM 794 N N . MET A 1 102 ? 33.253 9.255 6.503 1.00 8.00 ? 102 MET A N 1 -ATOM 795 C CA . MET A 1 102 ? 32.566 10.435 6.012 1.00 10.57 ? 102 MET A CA 1 -ATOM 796 C C . MET A 1 102 ? 31.680 11.042 7.091 1.00 16.22 ? 102 MET A C 1 -ATOM 797 O O . MET A 1 102 ? 31.515 12.277 7.172 1.00 11.22 ? 102 MET A O 1 -ATOM 798 C CB . MET A 1 102 ? 31.641 10.151 4.775 1.00 11.29 ? 102 MET A CB 1 -ATOM 799 C CG . MET A 1 102 ? 32.394 9.937 3.462 1.00 15.70 ? 102 MET A CG 1 -ATOM 800 S SD . MET A 1 102 ? 31.286 9.635 2.037 1.00 18.20 ? 102 MET A SD 1 -ATOM 801 C CE . MET A 1 102 ? 30.637 11.284 1.665 1.00 14.17 ? 102 MET A CE 1 -ATOM 802 N N . VAL A 1 103 ? 31.052 10.137 7.863 1.00 6.74 ? 103 VAL A N 1 -ATOM 803 C CA . VAL A 1 103 ? 30.129 10.616 8.906 1.00 10.40 ? 103 VAL A CA 1 -ATOM 804 C C . VAL A 1 103 ? 30.906 11.320 9.997 1.00 21.90 ? 103 VAL A C 1 -ATOM 805 O O . VAL A 1 103 ? 30.508 12.356 10.495 1.00 18.18 ? 103 VAL A O 1 -ATOM 806 C CB . VAL A 1 103 ? 29.192 9.555 9.449 1.00 11.02 ? 103 VAL A CB 1 -ATOM 807 C CG1 . VAL A 1 103 ? 28.404 10.139 10.628 1.00 18.37 ? 103 VAL A CG1 1 -ATOM 808 C CG2 . VAL A 1 103 ? 28.199 9.231 8.361 1.00 11.14 ? 103 VAL A CG2 1 -ATOM 809 N N . PHE A 1 104 ? 32.073 10.786 10.291 1.00 15.66 ? 104 PHE A N 1 -ATOM 810 C CA . PHE A 1 104 ? 32.933 11.387 11.277 1.00 15.10 ? 104 PHE A CA 1 -ATOM 811 C C . PHE A 1 104 ? 33.355 12.786 10.880 1.00 20.22 ? 104 PHE A C 1 -ATOM 812 O O . PHE A 1 104 ? 33.284 13.757 11.616 1.00 11.47 ? 104 PHE A O 1 -ATOM 813 C CB . PHE A 1 104 ? 34.149 10.466 11.417 1.00 12.01 ? 104 PHE A CB 1 -ATOM 814 C CG . PHE A 1 104 ? 35.059 10.874 12.536 1.00 11.58 ? 104 PHE A CG 1 -ATOM 815 C CD1 . PHE A 1 104 ? 35.992 11.882 12.328 1.00 11.93 ? 104 PHE A CD1 1 -ATOM 816 C CD2 . PHE A 1 104 ? 35.007 10.261 13.800 1.00 11.82 ? 104 PHE A CD2 1 -ATOM 817 C CE1 . PHE A 1 104 ? 36.888 12.220 13.343 1.00 20.36 ? 104 PHE A CE1 1 -ATOM 818 C CE2 . PHE A 1 104 ? 35.910 10.576 14.818 1.00 13.49 ? 104 PHE A CE2 1 -ATOM 819 C CZ . PHE A 1 104 ? 36.844 11.597 14.595 1.00 13.93 ? 104 PHE A CZ 1 -ATOM 820 N N . GLN A 1 105 ? 33.702 12.961 9.640 1.00 14.80 ? 105 GLN A N 1 -ATOM 821 C CA . GLN A 1 105 ? 34.144 14.271 9.191 1.00 12.43 ? 105 GLN A CA 1 -ATOM 822 C C . GLN A 1 105 ? 33.054 15.312 9.035 1.00 15.06 ? 105 GLN A C 1 -ATOM 823 O O . GLN A 1 105 ? 33.222 16.488 9.316 1.00 17.94 ? 105 GLN A O 1 -ATOM 824 C CB . GLN A 1 105 ? 34.939 14.085 7.860 1.00 17.57 ? 105 GLN A CB 1 -ATOM 825 C CG . GLN A 1 105 ? 35.412 15.394 7.167 1.00 15.28 ? 105 GLN A CG 1 -ATOM 826 C CD . GLN A 1 105 ? 36.166 15.266 5.847 1.00 19.23 ? 105 GLN A CD 1 -ATOM 827 O OE1 . GLN A 1 105 ? 36.223 14.218 5.175 1.00 15.46 ? 105 GLN A OE1 1 -ATOM 828 N NE2 . GLN A 1 105 ? 36.720 16.381 5.411 1.00 16.72 ? 105 GLN A NE2 1 -ATOM 829 N N . MET A 1 106 ? 31.972 14.895 8.433 1.00 16.14 ? 106 MET A N 1 -ATOM 830 C CA . MET A 1 106 ? 30.951 15.843 8.059 1.00 14.69 ? 106 MET A CA 1 -ATOM 831 C C . MET A 1 106 ? 29.646 15.789 8.759 1.00 18.45 ? 106 MET A C 1 -ATOM 832 O O . MET A 1 106 ? 28.773 16.593 8.484 1.00 24.81 ? 106 MET A O 1 -ATOM 833 C CB . MET A 1 106 ? 30.767 15.964 6.533 1.00 16.85 ? 106 MET A CB 1 -ATOM 834 C CG . MET A 1 106 ? 30.289 14.849 5.630 1.00 54.38 ? 106 MET A CG 1 -ATOM 835 S SD . MET A 1 106 ? 30.793 15.418 3.972 1.00 45.78 ? 106 MET A SD 1 -ATOM 836 C CE . MET A 1 106 ? 32.118 14.276 3.533 1.00 51.64 ? 106 MET A CE 1 -ATOM 837 N N . GLY A 1 107 ? 29.484 14.815 9.592 1.00 13.30 ? 107 GLY A N 1 -ATOM 838 C CA . GLY A 1 107 ? 28.234 14.724 10.252 1.00 17.00 ? 107 GLY A CA 1 -ATOM 839 C C . GLY A 1 107 ? 27.222 13.966 9.429 1.00 19.30 ? 107 GLY A C 1 -ATOM 840 O O . GLY A 1 107 ? 27.232 13.868 8.196 1.00 19.87 ? 107 GLY A O 1 -ATOM 841 N N . GLU A 1 108 ? 26.303 13.465 10.187 1.00 22.12 ? 108 GLU A N 1 -ATOM 842 C CA . GLU A 1 108 ? 25.290 12.604 9.675 1.00 27.88 ? 108 GLU A CA 1 -ATOM 843 C C . GLU A 1 108 ? 24.396 13.291 8.682 1.00 31.11 ? 108 GLU A C 1 -ATOM 844 O O . GLU A 1 108 ? 23.908 12.755 7.684 1.00 23.75 ? 108 GLU A O 1 -ATOM 845 C CB . GLU A 1 108 ? 24.618 11.896 10.868 1.00 33.32 ? 108 GLU A CB 1 -ATOM 846 C CG . GLU A 1 108 ? 23.192 11.457 10.597 1.00 49.99 ? 108 GLU A CG 1 -ATOM 847 C CD . GLU A 1 108 ? 22.460 11.356 11.886 1.00 57.09 ? 108 GLU A CD 1 -ATOM 848 O OE1 . GLU A 1 108 ? 23.289 11.266 12.906 1.00 57.85 ? 108 GLU A OE1 1 -ATOM 849 O OE2 . GLU A 1 108 ? 21.243 11.301 11.951 1.00 47.30 ? 108 GLU A OE2 1 -ATOM 850 N N . THR A 1 109 ? 24.238 14.557 8.926 1.00 35.62 ? 109 THR A N 1 -ATOM 851 C CA . THR A 1 109 ? 23.385 15.330 8.083 1.00 26.69 ? 109 THR A CA 1 -ATOM 852 C C . THR A 1 109 ? 23.968 15.626 6.685 1.00 38.30 ? 109 THR A C 1 -ATOM 853 O O . THR A 1 109 ? 23.268 15.565 5.654 1.00 30.41 ? 109 THR A O 1 -ATOM 854 C CB . THR A 1 109 ? 22.926 16.586 8.872 1.00 56.15 ? 109 THR A CB 1 -ATOM 855 O OG1 . THR A 1 109 ? 22.291 16.203 10.079 1.00 56.96 ? 109 THR A OG1 1 -ATOM 856 C CG2 . THR A 1 109 ? 21.981 17.451 8.061 1.00 49.32 ? 109 THR A CG2 1 -ATOM 857 N N . GLY A 1 110 ? 25.251 16.000 6.678 1.00 20.56 ? 110 GLY A N 1 -ATOM 858 C CA . GLY A 1 110 ? 25.941 16.282 5.464 1.00 15.67 ? 110 GLY A CA 1 -ATOM 859 C C . GLY A 1 110 ? 25.986 15.012 4.649 1.00 17.14 ? 110 GLY A C 1 -ATOM 860 O O . GLY A 1 110 ? 25.759 15.037 3.463 1.00 27.78 ? 110 GLY A O 1 -ATOM 861 N N . VAL A 1 111 ? 26.264 13.883 5.295 1.00 17.03 ? 111 VAL A N 1 -ATOM 862 C CA . VAL A 1 111 ? 26.348 12.664 4.496 1.00 12.85 ? 111 VAL A CA 1 -ATOM 863 C C . VAL A 1 111 ? 25.034 12.254 3.843 1.00 20.09 ? 111 VAL A C 1 -ATOM 864 O O . VAL A 1 111 ? 24.937 11.836 2.677 1.00 13.28 ? 111 VAL A O 1 -ATOM 865 C CB . VAL A 1 111 ? 27.050 11.528 5.194 1.00 13.85 ? 111 VAL A CB 1 -ATOM 866 C CG1 . VAL A 1 111 ? 26.957 10.301 4.268 1.00 10.46 ? 111 VAL A CG1 1 -ATOM 867 C CG2 . VAL A 1 111 ? 28.497 11.967 5.523 1.00 13.18 ? 111 VAL A CG2 1 -ATOM 868 N N . ALA A 1 112 ? 24.012 12.376 4.648 1.00 20.50 ? 112 ALA A N 1 -ATOM 869 C CA . ALA A 1 112 ? 22.679 11.995 4.257 1.00 21.40 ? 112 ALA A CA 1 -ATOM 870 C C . ALA A 1 112 ? 22.208 12.738 2.992 1.00 41.57 ? 112 ALA A C 1 -ATOM 871 O O . ALA A 1 112 ? 21.388 12.260 2.175 1.00 28.59 ? 112 ALA A O 1 -ATOM 872 C CB . ALA A 1 112 ? 21.797 12.076 5.511 1.00 24.24 ? 112 ALA A CB 1 -ATOM 873 N N . GLY A 1 113 ? 22.857 13.889 2.793 1.00 24.51 ? 113 GLY A N 1 -ATOM 874 C CA . GLY A 1 113 ? 22.659 14.803 1.659 1.00 40.91 ? 113 GLY A CA 1 -ATOM 875 C C . GLY A 1 113 ? 23.226 14.373 0.288 1.00 49.72 ? 113 GLY A C 1 -ATOM 876 O O . GLY A 1 113 ? 22.874 14.924 -0.763 1.00 42.31 ? 113 GLY A O 1 -ATOM 877 N N . PHE A 1 114 ? 24.118 13.393 0.293 1.00 23.35 ? 114 PHE A N 1 -ATOM 878 C CA . PHE A 1 114 ? 24.681 12.850 -0.914 1.00 15.90 ? 114 PHE A CA 1 -ATOM 879 C C . PHE A 1 114 ? 23.736 11.785 -1.459 1.00 15.48 ? 114 PHE A C 1 -ATOM 880 O O . PHE A 1 114 ? 24.139 10.670 -1.761 1.00 19.60 ? 114 PHE A O 1 -ATOM 881 C CB . PHE A 1 114 ? 26.043 12.224 -0.578 1.00 17.20 ? 114 PHE A CB 1 -ATOM 882 C CG . PHE A 1 114 ? 27.232 13.176 -0.335 1.00 22.74 ? 114 PHE A CG 1 -ATOM 883 C CD1 . PHE A 1 114 ? 27.265 14.122 0.680 1.00 28.05 ? 114 PHE A CD1 1 -ATOM 884 C CD2 . PHE A 1 114 ? 28.358 13.086 -1.146 1.00 19.98 ? 114 PHE A CD2 1 -ATOM 885 C CE1 . PHE A 1 114 ? 28.376 14.948 0.882 1.00 26.54 ? 114 PHE A CE1 1 -ATOM 886 C CE2 . PHE A 1 114 ? 29.466 13.916 -0.985 1.00 19.10 ? 114 PHE A CE2 1 -ATOM 887 C CZ . PHE A 1 114 ? 29.474 14.869 0.035 1.00 31.79 ? 114 PHE A CZ 1 -ATOM 888 N N . THR A 1 115 ? 22.471 12.153 -1.598 1.00 18.99 ? 115 THR A N 1 -ATOM 889 C CA . THR A 1 115 ? 21.395 11.326 -2.075 1.00 15.71 ? 115 THR A CA 1 -ATOM 890 C C . THR A 1 115 ? 21.737 10.402 -3.200 1.00 16.91 ? 115 THR A C 1 -ATOM 891 O O . THR A 1 115 ? 21.549 9.199 -3.147 1.00 17.95 ? 115 THR A O 1 -ATOM 892 C CB . THR A 1 115 ? 20.215 12.172 -2.575 1.00 26.98 ? 115 THR A CB 1 -ATOM 893 O OG1 . THR A 1 115 ? 19.706 12.880 -1.478 1.00 39.81 ? 115 THR A OG1 1 -ATOM 894 C CG2 . THR A 1 115 ? 19.142 11.190 -2.972 1.00 37.65 ? 115 THR A CG2 1 -ATOM 895 N N . ASN A 1 116 ? 22.154 11.020 -4.268 1.00 12.40 ? 116 ASN A N 1 -ATOM 896 C CA . ASN A 1 116 ? 22.515 10.244 -5.435 1.00 18.08 ? 116 ASN A CA 1 -ATOM 897 C C . ASN A 1 116 ? 23.687 9.290 -5.207 1.00 14.83 ? 116 ASN A C 1 -ATOM 898 O O . ASN A 1 116 ? 23.691 8.169 -5.703 1.00 15.81 ? 116 ASN A O 1 -ATOM 899 C CB . ASN A 1 116 ? 22.695 11.066 -6.738 1.00 22.72 ? 116 ASN A CB 1 -ATOM 900 C CG . ASN A 1 116 ? 21.493 11.978 -6.983 1.00 35.06 ? 116 ASN A CG 1 -ATOM 901 O OD1 . ASN A 1 116 ? 20.361 11.542 -6.830 1.00 33.92 ? 116 ASN A OD1 1 -ATOM 902 N ND2 . ASN A 1 116 ? 21.699 13.269 -7.224 1.00 23.59 ? 116 ASN A ND2 1 -ATOM 903 N N . SER A 1 117 ? 24.725 9.728 -4.557 1.00 15.85 ? 117 SER A N 1 -ATOM 904 C CA . SER A 1 117 ? 25.815 8.783 -4.392 1.00 10.38 ? 117 SER A CA 1 -ATOM 905 C C . SER A 1 117 ? 25.367 7.654 -3.509 1.00 13.63 ? 117 SER A C 1 -ATOM 906 O O . SER A 1 117 ? 25.906 6.555 -3.650 1.00 14.84 ? 117 SER A O 1 -ATOM 907 C CB . SER A 1 117 ? 26.959 9.381 -3.605 1.00 17.31 ? 117 SER A CB 1 -ATOM 908 O OG . SER A 1 117 ? 27.395 10.571 -4.212 1.00 24.14 ? 117 SER A OG 1 -ATOM 909 N N . LEU A 1 118 ? 24.486 7.958 -2.509 1.00 9.71 ? 118 LEU A N 1 -ATOM 910 C CA . LEU A 1 118 ? 24.037 6.927 -1.545 1.00 16.64 ? 118 LEU A CA 1 -ATOM 911 C C . LEU A 1 118 ? 23.336 5.818 -2.311 1.00 16.98 ? 118 LEU A C 1 -ATOM 912 O O . LEU A 1 118 ? 23.438 4.606 -2.087 1.00 15.07 ? 118 LEU A O 1 -ATOM 913 C CB . LEU A 1 118 ? 23.153 7.399 -0.339 1.00 17.42 ? 118 LEU A CB 1 -ATOM 914 C CG . LEU A 1 118 ? 23.873 8.332 0.657 1.00 24.36 ? 118 LEU A CG 1 -ATOM 915 C CD1 . LEU A 1 118 ? 22.940 8.994 1.664 1.00 17.54 ? 118 LEU A CD1 1 -ATOM 916 C CD2 . LEU A 1 118 ? 25.019 7.660 1.410 1.00 13.44 ? 118 LEU A CD2 1 -ATOM 917 N N . ARG A 1 119 ? 22.568 6.291 -3.237 1.00 12.15 ? 119 ARG A N 1 -ATOM 918 C CA . ARG A 1 119 ? 21.798 5.392 -4.014 1.00 18.55 ? 119 ARG A CA 1 -ATOM 919 C C . ARG A 1 119 ? 22.668 4.481 -4.843 1.00 25.16 ? 119 ARG A C 1 -ATOM 920 O O . ARG A 1 119 ? 22.435 3.276 -4.947 1.00 19.06 ? 119 ARG A O 1 -ATOM 921 C CB . ARG A 1 119 ? 20.884 6.176 -4.907 1.00 19.13 ? 119 ARG A CB 1 -ATOM 922 C CG . ARG A 1 119 ? 20.086 5.221 -5.750 1.00 40.58 ? 119 ARG A CG 1 -ATOM 923 C CD . ARG A 1 119 ? 19.164 5.993 -6.681 1.00 56.68 ? 119 ARG A CD 1 -ATOM 924 N NE . ARG A 1 119 ? 19.899 6.761 -7.697 1.00 68.51 ? 119 ARG A NE 1 -ATOM 925 C CZ . ARG A 1 119 ? 19.993 8.102 -7.822 1.00 71.67 ? 119 ARG A CZ 1 -ATOM 926 N NH1 . ARG A 1 119 ? 19.370 8.981 -7.009 1.00 70.42 ? 119 ARG A NH1 1 -ATOM 927 N NH2 . ARG A 1 119 ? 20.743 8.573 -8.833 1.00 72.65 ? 119 ARG A NH2 1 -ATOM 928 N N . MET A 1 120 ? 23.696 5.085 -5.401 1.00 14.85 ? 120 MET A N 1 -ATOM 929 C CA . MET A 1 120 ? 24.618 4.323 -6.200 1.00 12.27 ? 120 MET A CA 1 -ATOM 930 C C . MET A 1 120 ? 25.348 3.351 -5.340 1.00 15.85 ? 120 MET A C 1 -ATOM 931 O O . MET A 1 120 ? 25.729 2.292 -5.797 1.00 16.15 ? 120 MET A O 1 -ATOM 932 C CB . MET A 1 120 ? 25.663 5.181 -6.983 1.00 10.74 ? 120 MET A CB 1 -ATOM 933 C CG . MET A 1 120 ? 25.090 5.850 -8.228 1.00 18.18 ? 120 MET A CG 1 -ATOM 934 S SD . MET A 1 120 ? 26.152 7.232 -8.739 1.00 29.85 ? 120 MET A SD 1 -ATOM 935 C CE . MET A 1 120 ? 25.015 8.297 -9.654 1.00 36.83 ? 120 MET A CE 1 -ATOM 936 N N . LEU A 1 121 ? 25.658 3.739 -4.118 1.00 9.54 ? 121 LEU A N 1 -ATOM 937 C CA . LEU A 1 121 ? 26.403 2.792 -3.334 1.00 12.79 ? 121 LEU A CA 1 -ATOM 938 C C . LEU A 1 121 ? 25.499 1.599 -2.989 1.00 13.39 ? 121 LEU A C 1 -ATOM 939 O O . LEU A 1 121 ? 25.909 0.446 -3.003 1.00 14.44 ? 121 LEU A O 1 -ATOM 940 C CB . LEU A 1 121 ? 26.881 3.462 -2.040 1.00 12.98 ? 121 LEU A CB 1 -ATOM 941 C CG . LEU A 1 121 ? 28.093 4.397 -2.217 1.00 9.96 ? 121 LEU A CG 1 -ATOM 942 C CD1 . LEU A 1 121 ? 28.227 5.201 -0.919 1.00 17.18 ? 121 LEU A CD1 1 -ATOM 943 C CD2 . LEU A 1 121 ? 29.373 3.633 -2.500 1.00 13.73 ? 121 LEU A CD2 1 -ATOM 944 N N . GLN A 1 122 ? 24.254 1.900 -2.644 1.00 12.74 ? 122 GLN A N 1 -ATOM 945 C CA . GLN A 1 122 ? 23.355 0.840 -2.321 1.00 17.54 ? 122 GLN A CA 1 -ATOM 946 C C . GLN A 1 122 ? 23.197 -0.151 -3.475 1.00 32.97 ? 122 GLN A C 1 -ATOM 947 O O . GLN A 1 122 ? 22.999 -1.330 -3.251 1.00 13.94 ? 122 GLN A O 1 -ATOM 948 C CB . GLN A 1 122 ? 21.993 1.446 -2.046 1.00 14.02 ? 122 GLN A CB 1 -ATOM 949 C CG . GLN A 1 122 ? 21.261 0.656 -0.981 1.00 28.28 ? 122 GLN A CG 1 -ATOM 950 C CD . GLN A 1 122 ? 20.314 1.629 -0.359 1.00 49.12 ? 122 GLN A CD 1 -ATOM 951 O OE1 . GLN A 1 122 ? 19.156 1.312 -0.124 1.00 53.87 ? 122 GLN A OE1 1 -ATOM 952 N NE2 . GLN A 1 122 ? 20.783 2.864 -0.217 1.00 58.27 ? 122 GLN A NE2 1 -ATOM 953 N N . GLN A 1 123 ? 23.245 0.349 -4.718 1.00 16.31 ? 123 GLN A N 1 -ATOM 954 C CA . GLN A 1 123 ? 23.081 -0.522 -5.866 1.00 13.14 ? 123 GLN A CA 1 -ATOM 955 C C . GLN A 1 123 ? 24.351 -1.196 -6.270 1.00 36.03 ? 123 GLN A C 1 -ATOM 956 O O . GLN A 1 123 ? 24.327 -2.011 -7.185 1.00 22.72 ? 123 GLN A O 1 -ATOM 957 C CB . GLN A 1 123 ? 22.473 0.199 -7.085 1.00 12.30 ? 123 GLN A CB 1 -ATOM 958 C CG . GLN A 1 123 ? 21.099 0.823 -6.881 1.00 20.99 ? 123 GLN A CG 1 -ATOM 959 C CD . GLN A 1 123 ? 20.746 1.559 -8.147 1.00 18.66 ? 123 GLN A CD 1 -ATOM 960 O OE1 . GLN A 1 123 ? 20.371 0.914 -9.137 1.00 61.11 ? 123 GLN A OE1 1 -ATOM 961 N NE2 . GLN A 1 123 ? 21.015 2.859 -8.183 1.00 55.06 ? 123 GLN A NE2 1 -ATOM 962 N N . LYS A 1 124 ? 25.462 -0.858 -5.594 1.00 11.55 ? 124 LYS A N 1 -ATOM 963 C CA . LYS A 1 124 ? 26.743 -1.459 -5.879 1.00 4.02 ? 124 LYS A CA 1 -ATOM 964 C C . LYS A 1 124 ? 27.389 -1.115 -7.235 1.00 15.69 ? 124 LYS A C 1 -ATOM 965 O O . LYS A 1 124 ? 28.108 -1.915 -7.853 1.00 18.99 ? 124 LYS A O 1 -ATOM 966 C CB . LYS A 1 124 ? 26.806 -2.982 -5.618 1.00 21.30 ? 124 LYS A CB 1 -ATOM 967 C CG . LYS A 1 124 ? 26.191 -3.426 -4.275 1.00 20.30 ? 124 LYS A CG 1 -ATOM 968 C CD . LYS A 1 124 ? 26.708 -4.792 -3.836 1.00 14.39 ? 124 LYS A CD 1 -ATOM 969 C CE . LYS A 1 124 ? 26.364 -5.268 -2.411 1.00 11.15 ? 124 LYS A CE 1 -ATOM 970 N NZ . LYS A 1 124 ? 26.604 -4.309 -1.358 1.00 18.72 ? 124 LYS A NZ 1 -ATOM 971 N N . ARG A 1 125 ? 27.134 0.139 -7.648 1.00 17.10 ? 125 ARG A N 1 -ATOM 972 C CA . ARG A 1 125 ? 27.595 0.760 -8.871 1.00 13.65 ? 125 ARG A CA 1 -ATOM 973 C C . ARG A 1 125 ? 28.782 1.592 -8.444 1.00 17.11 ? 125 ARG A C 1 -ATOM 974 O O . ARG A 1 125 ? 28.646 2.806 -8.239 1.00 17.11 ? 125 ARG A O 1 -ATOM 975 C CB . ARG A 1 125 ? 26.450 1.675 -9.354 1.00 12.50 ? 125 ARG A CB 1 -ATOM 976 C CG . ARG A 1 125 ? 25.222 0.937 -9.951 1.00 18.93 ? 125 ARG A CG 1 -ATOM 977 C CD . ARG A 1 125 ? 24.358 1.857 -10.831 1.00 21.30 ? 125 ARG A CD 1 -ATOM 978 N NE . ARG A 1 125 ? 22.998 1.394 -11.178 1.00 59.89 ? 125 ARG A NE 1 -ATOM 979 C CZ . ARG A 1 125 ? 22.510 0.131 -11.324 1.00 68.44 ? 125 ARG A CZ 1 -ATOM 980 N NH1 . ARG A 1 125 ? 23.242 -0.977 -11.206 1.00 73.07 ? 125 ARG A NH1 1 -ATOM 981 N NH2 . ARG A 1 125 ? 21.220 -0.043 -11.610 1.00 58.15 ? 125 ARG A NH2 1 -ATOM 982 N N . TRP A 1 126 ? 29.903 0.892 -8.192 1.00 18.40 ? 126 TRP A N 1 -ATOM 983 C CA . TRP A 1 126 ? 31.097 1.466 -7.599 1.00 15.67 ? 126 TRP A CA 1 -ATOM 984 C C . TRP A 1 126 ? 31.766 2.622 -8.338 1.00 18.33 ? 126 TRP A C 1 -ATOM 985 O O . TRP A 1 126 ? 32.147 3.665 -7.785 1.00 12.59 ? 126 TRP A O 1 -ATOM 986 C CB . TRP A 1 126 ? 32.103 0.377 -7.117 1.00 8.06 ? 126 TRP A CB 1 -ATOM 987 C CG . TRP A 1 126 ? 31.506 -0.765 -6.302 1.00 15.49 ? 126 TRP A CG 1 -ATOM 988 C CD1 . TRP A 1 126 ? 31.680 -2.108 -6.582 1.00 14.02 ? 126 TRP A CD1 1 -ATOM 989 C CD2 . TRP A 1 126 ? 30.715 -0.728 -5.102 1.00 14.60 ? 126 TRP A CD2 1 -ATOM 990 N NE1 . TRP A 1 126 ? 31.061 -2.857 -5.653 1.00 9.83 ? 126 TRP A NE1 1 -ATOM 991 C CE2 . TRP A 1 126 ? 30.482 -2.053 -4.711 1.00 13.89 ? 126 TRP A CE2 1 -ATOM 992 C CE3 . TRP A 1 126 ? 30.197 0.282 -4.294 1.00 11.49 ? 126 TRP A CE3 1 -ATOM 993 C CZ2 . TRP A 1 126 ? 29.755 -2.414 -3.581 1.00 16.29 ? 126 TRP A CZ2 1 -ATOM 994 C CZ3 . TRP A 1 126 ? 29.459 -0.080 -3.178 1.00 10.08 ? 126 TRP A CZ3 1 -ATOM 995 C CH2 . TRP A 1 126 ? 29.249 -1.410 -2.820 1.00 17.20 ? 126 TRP A CH2 1 -ATOM 996 N N . ASP A 1 127 ? 31.969 2.372 -9.600 1.00 20.33 ? 127 ASP A N 1 -ATOM 997 C CA . ASP A 1 127 ? 32.655 3.323 -10.419 1.00 16.32 ? 127 ASP A CA 1 -ATOM 998 C C . ASP A 1 127 ? 31.822 4.569 -10.604 1.00 20.84 ? 127 ASP A C 1 -ATOM 999 O O . ASP A 1 127 ? 32.297 5.695 -10.458 1.00 17.64 ? 127 ASP A O 1 -ATOM 1000 C CB . ASP A 1 127 ? 33.254 2.634 -11.653 1.00 17.02 ? 127 ASP A CB 1 -ATOM 1001 C CG . ASP A 1 127 ? 34.403 1.682 -11.361 1.00 17.88 ? 127 ASP A CG 1 -ATOM 1002 O OD1 . ASP A 1 127 ? 34.689 1.119 -10.301 1.00 44.98 ? 127 ASP A OD1 1 -ATOM 1003 O OD2 . ASP A 1 127 ? 35.027 1.459 -12.461 1.00 35.43 ? 127 ASP A OD2 1 -ATOM 1004 N N . GLU A 1 128 ? 30.529 4.386 -10.709 1.00 11.42 ? 128 GLU A N 1 -ATOM 1005 C CA . GLU A 1 128 ? 29.640 5.542 -10.784 1.00 13.08 ? 128 GLU A CA 1 -ATOM 1006 C C . GLU A 1 128 ? 29.554 6.344 -9.527 1.00 18.50 ? 128 GLU A C 1 -ATOM 1007 O O . GLU A 1 128 ? 29.471 7.570 -9.554 1.00 14.88 ? 128 GLU A O 1 -ATOM 1008 C CB . GLU A 1 128 ? 28.252 5.038 -11.065 1.00 26.92 ? 128 GLU A CB 1 -ATOM 1009 C CG . GLU A 1 128 ? 28.398 4.467 -12.462 1.00 25.26 ? 128 GLU A CG 1 -ATOM 1010 C CD . GLU A 1 128 ? 27.388 3.443 -12.823 1.00 57.64 ? 128 GLU A CD 1 -ATOM 1011 O OE1 . GLU A 1 128 ? 26.177 3.960 -12.990 1.00 65.25 ? 128 GLU A OE1 1 -ATOM 1012 O OE2 . GLU A 1 128 ? 27.700 2.278 -13.011 1.00 56.01 ? 128 GLU A OE2 1 -ATOM 1013 N N . ALA A 1 129 ? 29.470 5.614 -8.419 1.00 12.09 ? 129 ALA A N 1 -ATOM 1014 C CA . ALA A 1 129 ? 29.362 6.285 -7.138 1.00 11.13 ? 129 ALA A CA 1 -ATOM 1015 C C . ALA A 1 129 ? 30.629 7.155 -6.933 1.00 14.00 ? 129 ALA A C 1 -ATOM 1016 O O . ALA A 1 129 ? 30.573 8.261 -6.411 1.00 12.34 ? 129 ALA A O 1 -ATOM 1017 C CB . ALA A 1 129 ? 29.211 5.209 -6.050 1.00 11.43 ? 129 ALA A CB 1 -ATOM 1018 N N . ALA A 1 130 ? 31.781 6.620 -7.326 1.00 9.23 ? 130 ALA A N 1 -ATOM 1019 C CA . ALA A 1 130 ? 33.037 7.312 -7.118 1.00 6.40 ? 130 ALA A CA 1 -ATOM 1020 C C . ALA A 1 130 ? 33.090 8.564 -7.939 1.00 24.48 ? 130 ALA A C 1 -ATOM 1021 O O . ALA A 1 130 ? 33.623 9.574 -7.540 1.00 14.43 ? 130 ALA A O 1 -ATOM 1022 C CB . ALA A 1 130 ? 34.214 6.393 -7.456 1.00 11.53 ? 130 ALA A CB 1 -ATOM 1023 N N . VAL A 1 131 ? 32.520 8.527 -9.117 1.00 10.86 ? 131 VAL A N 1 -ATOM 1024 C CA . VAL A 1 131 ? 32.545 9.756 -9.888 1.00 14.53 ? 131 VAL A CA 1 -ATOM 1025 C C . VAL A 1 131 ? 31.595 10.794 -9.262 1.00 12.04 ? 131 VAL A C 1 -ATOM 1026 O O . VAL A 1 131 ? 31.862 11.989 -9.171 1.00 25.13 ? 131 VAL A O 1 -ATOM 1027 C CB . VAL A 1 131 ? 32.039 9.536 -11.340 1.00 26.29 ? 131 VAL A CB 1 -ATOM 1028 C CG1 . VAL A 1 131 ? 31.532 10.837 -11.956 1.00 31.22 ? 131 VAL A CG1 1 -ATOM 1029 C CG2 . VAL A 1 131 ? 33.103 8.926 -12.235 1.00 19.11 ? 131 VAL A CG2 1 -ATOM 1030 N N . ASN A 1 132 ? 30.447 10.326 -8.857 1.00 9.80 ? 132 ASN A N 1 -ATOM 1031 C CA . ASN A 1 132 ? 29.498 11.263 -8.309 1.00 7.85 ? 132 ASN A CA 1 -ATOM 1032 C C . ASN A 1 132 ? 30.012 11.863 -7.005 1.00 17.91 ? 132 ASN A C 1 -ATOM 1033 O O . ASN A 1 132 ? 29.859 13.030 -6.754 1.00 12.21 ? 132 ASN A O 1 -ATOM 1034 C CB . ASN A 1 132 ? 28.194 10.492 -8.075 1.00 10.11 ? 132 ASN A CB 1 -ATOM 1035 C CG . ASN A 1 132 ? 27.065 11.413 -7.676 1.00 16.59 ? 132 ASN A CG 1 -ATOM 1036 O OD1 . ASN A 1 132 ? 26.771 11.609 -6.475 1.00 15.45 ? 132 ASN A OD1 1 -ATOM 1037 N ND2 . ASN A 1 132 ? 26.558 12.140 -8.660 1.00 17.40 ? 132 ASN A ND2 1 -ATOM 1038 N N . LEU A 1 133 ? 30.618 11.064 -6.124 1.00 11.16 ? 133 LEU A N 1 -ATOM 1039 C CA . LEU A 1 133 ? 31.101 11.638 -4.868 1.00 7.66 ? 133 LEU A CA 1 -ATOM 1040 C C . LEU A 1 133 ? 32.141 12.744 -5.121 1.00 14.71 ? 133 LEU A C 1 -ATOM 1041 O O . LEU A 1 133 ? 32.293 13.675 -4.351 1.00 14.65 ? 133 LEU A O 1 -ATOM 1042 C CB . LEU A 1 133 ? 31.823 10.505 -4.054 1.00 9.61 ? 133 LEU A CB 1 -ATOM 1043 C CG . LEU A 1 133 ? 30.915 9.510 -3.298 1.00 10.98 ? 133 LEU A CG 1 -ATOM 1044 C CD1 . LEU A 1 133 ? 31.604 8.167 -2.973 1.00 12.21 ? 133 LEU A CD1 1 -ATOM 1045 C CD2 . LEU A 1 133 ? 30.317 10.117 -2.061 1.00 12.56 ? 133 LEU A CD2 1 -ATOM 1046 N N . ALA A 1 134 ? 32.888 12.617 -6.219 1.00 8.21 ? 134 ALA A N 1 -ATOM 1047 C CA . ALA A 1 134 ? 33.937 13.577 -6.545 1.00 14.71 ? 134 ALA A CA 1 -ATOM 1048 C C . ALA A 1 134 ? 33.390 14.944 -6.914 1.00 13.56 ? 134 ALA A C 1 -ATOM 1049 O O . ALA A 1 134 ? 34.097 15.939 -6.825 1.00 14.87 ? 134 ALA A O 1 -ATOM 1050 C CB . ALA A 1 134 ? 34.950 13.064 -7.565 1.00 18.72 ? 134 ALA A CB 1 -ATOM 1051 N N . LYS A 1 135 ? 32.121 15.008 -7.322 1.00 12.67 ? 135 LYS A N 1 -ATOM 1052 C CA . LYS A 1 135 ? 31.535 16.309 -7.621 1.00 11.95 ? 135 LYS A CA 1 -ATOM 1053 C C . LYS A 1 135 ? 30.933 16.943 -6.378 1.00 11.31 ? 135 LYS A C 1 -ATOM 1054 O O . LYS A 1 135 ? 29.712 16.989 -6.184 1.00 13.01 ? 135 LYS A O 1 -ATOM 1055 C CB . LYS A 1 135 ? 30.409 16.171 -8.628 1.00 9.55 ? 135 LYS A CB 1 -ATOM 1056 C CG . LYS A 1 135 ? 30.916 15.426 -9.798 1.00 15.11 ? 135 LYS A CG 1 -ATOM 1057 C CD . LYS A 1 135 ? 29.784 15.280 -10.744 1.00 28.97 ? 135 LYS A CD 1 -ATOM 1058 C CE . LYS A 1 135 ? 30.308 14.466 -11.878 1.00 45.62 ? 135 LYS A CE 1 -ATOM 1059 N NZ . LYS A 1 135 ? 29.430 14.556 -13.037 1.00 67.28 ? 135 LYS A NZ 1 -ATOM 1060 N N . SER A 1 136 ? 31.795 17.428 -5.499 1.00 6.99 ? 136 SER A N 1 -ATOM 1061 C CA . SER A 1 136 ? 31.291 17.864 -4.257 1.00 7.24 ? 136 SER A CA 1 -ATOM 1062 C C . SER A 1 136 ? 32.259 18.862 -3.725 1.00 14.32 ? 136 SER A C 1 -ATOM 1063 O O . SER A 1 136 ? 33.440 18.789 -4.045 1.00 10.94 ? 136 SER A O 1 -ATOM 1064 C CB . SER A 1 136 ? 31.238 16.708 -3.219 1.00 7.56 ? 136 SER A CB 1 -ATOM 1065 O OG . SER A 1 136 ? 32.506 16.052 -3.074 1.00 11.77 ? 136 SER A OG 1 -ATOM 1066 N N . ARG A 1 137 ? 31.776 19.743 -2.891 1.00 9.96 ? 137 ARG A N 1 -ATOM 1067 C CA . ARG A 1 137 ? 32.700 20.684 -2.226 1.00 9.14 ? 137 ARG A CA 1 -ATOM 1068 C C . ARG A 1 137 ? 33.781 19.931 -1.404 1.00 13.40 ? 137 ARG A C 1 -ATOM 1069 O O . ARG A 1 137 ? 34.948 20.328 -1.297 1.00 14.16 ? 137 ARG A O 1 -ATOM 1070 C CB . ARG A 1 137 ? 31.898 21.514 -1.212 1.00 17.49 ? 137 ARG A CB 1 -ATOM 1071 C CG . ARG A 1 137 ? 32.765 22.486 -0.408 1.00 16.86 ? 137 ARG A CG 1 -ATOM 1072 C CD . ARG A 1 137 ? 31.997 23.284 0.670 1.00 11.56 ? 137 ARG A CD 1 -ATOM 1073 N NE . ARG A 1 137 ? 32.759 24.440 1.170 1.00 34.23 ? 137 ARG A NE 1 -ATOM 1074 C CZ . ARG A 1 137 ? 33.548 24.344 2.242 1.00 45.44 ? 137 ARG A CZ 1 -ATOM 1075 N NH1 . ARG A 1 137 ? 33.637 23.194 2.885 1.00 48.51 ? 137 ARG A NH1 1 -ATOM 1076 N NH2 . ARG A 1 137 ? 34.260 25.385 2.696 1.00 50.86 ? 137 ARG A NH2 1 -ATOM 1077 N N . TRP A 1 138 ? 33.304 18.827 -0.768 1.00 12.70 ? 138 TRP A N 1 -ATOM 1078 C CA . TRP A 1 138 ? 34.095 17.898 0.048 1.00 11.34 ? 138 TRP A CA 1 -ATOM 1079 C C . TRP A 1 138 ? 35.367 17.466 -0.662 1.00 7.29 ? 138 TRP A C 1 -ATOM 1080 O O . TRP A 1 138 ? 36.460 17.599 -0.165 1.00 11.84 ? 138 TRP A O 1 -ATOM 1081 C CB . TRP A 1 138 ? 33.237 16.648 0.413 1.00 13.11 ? 138 TRP A CB 1 -ATOM 1082 C CG . TRP A 1 138 ? 34.019 15.498 1.026 1.00 8.88 ? 138 TRP A CG 1 -ATOM 1083 C CD1 . TRP A 1 138 ? 34.690 15.530 2.204 1.00 23.27 ? 138 TRP A CD1 1 -ATOM 1084 C CD2 . TRP A 1 138 ? 34.127 14.160 0.530 1.00 9.19 ? 138 TRP A CD2 1 -ATOM 1085 N NE1 . TRP A 1 138 ? 35.339 14.338 2.445 1.00 12.90 ? 138 TRP A NE1 1 -ATOM 1086 C CE2 . TRP A 1 138 ? 34.920 13.416 1.481 1.00 9.51 ? 138 TRP A CE2 1 -ATOM 1087 C CE3 . TRP A 1 138 ? 33.610 13.520 -0.590 1.00 8.06 ? 138 TRP A CE3 1 -ATOM 1088 C CZ2 . TRP A 1 138 ? 35.240 12.050 1.321 1.00 11.52 ? 138 TRP A CZ2 1 -ATOM 1089 C CZ3 . TRP A 1 138 ? 33.963 12.187 -0.760 1.00 19.01 ? 138 TRP A CZ3 1 -ATOM 1090 C CH2 . TRP A 1 138 ? 34.704 11.452 0.184 1.00 19.91 ? 138 TRP A CH2 1 -ATOM 1091 N N . TYR A 1 139 ? 35.244 17.070 -1.940 1.00 6.14 ? 139 TYR A N 1 -ATOM 1092 C CA . TYR A 1 139 ? 36.397 16.635 -2.672 1.00 13.54 ? 139 TYR A CA 1 -ATOM 1093 C C . TYR A 1 139 ? 37.273 17.785 -3.071 1.00 15.48 ? 139 TYR A C 1 -ATOM 1094 O O . TYR A 1 139 ? 38.502 17.664 -3.085 1.00 15.57 ? 139 TYR A O 1 -ATOM 1095 C CB . TYR A 1 139 ? 35.872 16.021 -3.944 1.00 20.12 ? 139 TYR A CB 1 -ATOM 1096 C CG . TYR A 1 139 ? 36.928 15.609 -4.895 1.00 14.90 ? 139 TYR A CG 1 -ATOM 1097 C CD1 . TYR A 1 139 ? 37.400 14.305 -4.756 1.00 15.90 ? 139 TYR A CD1 1 -ATOM 1098 C CD2 . TYR A 1 139 ? 37.358 16.429 -5.952 1.00 15.19 ? 139 TYR A CD2 1 -ATOM 1099 C CE1 . TYR A 1 139 ? 38.352 13.789 -5.626 1.00 18.47 ? 139 TYR A CE1 1 -ATOM 1100 C CE2 . TYR A 1 139 ? 38.313 15.920 -6.834 1.00 40.25 ? 139 TYR A CE2 1 -ATOM 1101 C CZ . TYR A 1 139 ? 38.785 14.609 -6.668 1.00 59.23 ? 139 TYR A CZ 1 -ATOM 1102 O OH . TYR A 1 139 ? 39.664 14.072 -7.546 1.00 59.84 ? 139 TYR A OH 1 -ATOM 1103 N N . ASN A 1 140 ? 36.612 18.896 -3.414 1.00 9.20 ? 140 ASN A N 1 -ATOM 1104 C CA . ASN A 1 140 ? 37.357 20.109 -3.799 1.00 8.35 ? 140 ASN A CA 1 -ATOM 1105 C C . ASN A 1 140 ? 38.136 20.758 -2.647 1.00 14.33 ? 140 ASN A C 1 -ATOM 1106 O O . ASN A 1 140 ? 39.163 21.375 -2.838 1.00 17.00 ? 140 ASN A O 1 -ATOM 1107 C CB . ASN A 1 140 ? 36.394 21.104 -4.476 1.00 20.87 ? 140 ASN A CB 1 -ATOM 1108 C CG . ASN A 1 140 ? 36.202 20.742 -5.942 1.00 22.47 ? 140 ASN A CG 1 -ATOM 1109 O OD1 . ASN A 1 140 ? 37.126 20.873 -6.744 1.00 28.51 ? 140 ASN A OD1 1 -ATOM 1110 N ND2 . ASN A 1 140 ? 35.075 20.123 -6.277 1.00 16.48 ? 140 ASN A ND2 1 -ATOM 1111 N N . GLN A 1 141 ? 37.624 20.659 -1.418 1.00 8.02 ? 141 GLN A N 1 -ATOM 1112 C CA . GLN A 1 141 ? 38.272 21.233 -0.251 1.00 18.32 ? 141 GLN A CA 1 -ATOM 1113 C C . GLN A 1 141 ? 39.302 20.334 0.352 1.00 23.89 ? 141 GLN A C 1 -ATOM 1114 O O . GLN A 1 141 ? 40.340 20.803 0.766 1.00 15.81 ? 141 GLN A O 1 -ATOM 1115 C CB . GLN A 1 141 ? 37.256 21.635 0.843 1.00 20.04 ? 141 GLN A CB 1 -ATOM 1116 C CG . GLN A 1 141 ? 36.346 22.808 0.431 1.00 26.84 ? 141 GLN A CG 1 -ATOM 1117 C CD . GLN A 1 141 ? 37.016 24.045 -0.180 1.00 50.31 ? 141 GLN A CD 1 -ATOM 1118 O OE1 . GLN A 1 141 ? 36.678 24.489 -1.308 1.00 27.24 ? 141 GLN A OE1 1 -ATOM 1119 N NE2 . GLN A 1 141 ? 37.898 24.677 0.599 1.00 16.44 ? 141 GLN A NE2 1 -ATOM 1120 N N . THR A 1 142 ? 39.004 19.057 0.507 1.00 12.20 ? 142 THR A N 1 -ATOM 1121 C CA . THR A 1 142 ? 39.993 18.164 1.056 1.00 5.87 ? 142 THR A CA 1 -ATOM 1122 C C . THR A 1 142 ? 40.120 17.025 0.092 1.00 15.73 ? 142 THR A C 1 -ATOM 1123 O O . THR A 1 142 ? 39.737 15.895 0.389 1.00 13.41 ? 142 THR A O 1 -ATOM 1124 C CB . THR A 1 142 ? 39.545 17.609 2.404 1.00 12.12 ? 142 THR A CB 1 -ATOM 1125 O OG1 . THR A 1 142 ? 38.194 17.189 2.272 1.00 15.01 ? 142 THR A OG1 1 -ATOM 1126 C CG2 . THR A 1 142 ? 39.492 18.788 3.357 1.00 14.87 ? 142 THR A CG2 1 -ATOM 1127 N N . PRO A 1 143 ? 40.780 17.317 -1.031 1.00 10.47 ? 143 PRO A N 1 -ATOM 1128 C CA . PRO A 1 143 ? 40.944 16.313 -2.052 1.00 4.65 ? 143 PRO A CA 1 -ATOM 1129 C C . PRO A 1 143 ? 41.803 15.087 -1.704 1.00 10.97 ? 143 PRO A C 1 -ATOM 1130 O O . PRO A 1 143 ? 41.534 14.013 -2.184 1.00 10.54 ? 143 PRO A O 1 -ATOM 1131 C CB . PRO A 1 143 ? 41.547 16.969 -3.297 1.00 9.71 ? 143 PRO A CB 1 -ATOM 1132 C CG . PRO A 1 143 ? 42.201 18.244 -2.776 1.00 9.96 ? 143 PRO A CG 1 -ATOM 1133 C CD . PRO A 1 143 ? 41.562 18.545 -1.408 1.00 12.43 ? 143 PRO A CD 1 -ATOM 1134 N N . ASN A 1 144 ? 42.885 15.200 -0.947 1.00 5.55 ? 144 ASN A N 1 -ATOM 1135 C CA . ASN A 1 144 ? 43.618 13.953 -0.781 1.00 6.93 ? 144 ASN A CA 1 -ATOM 1136 C C . ASN A 1 144 ? 42.874 12.944 0.080 1.00 13.66 ? 144 ASN A C 1 -ATOM 1137 O O . ASN A 1 144 ? 42.939 11.762 -0.155 1.00 10.63 ? 144 ASN A O 1 -ATOM 1138 C CB . ASN A 1 144 ? 45.013 14.126 -0.236 1.00 10.65 ? 144 ASN A CB 1 -ATOM 1139 C CG . ASN A 1 144 ? 45.907 14.771 -1.270 1.00 44.70 ? 144 ASN A CG 1 -ATOM 1140 O OD1 . ASN A 1 144 ? 45.752 14.618 -2.504 1.00 30.97 ? 144 ASN A OD1 1 -ATOM 1141 N ND2 . ASN A 1 144 ? 46.809 15.573 -0.757 1.00 17.69 ? 144 ASN A ND2 1 -ATOM 1142 N N . ARG A 1 145 ? 42.293 13.468 1.135 1.00 11.72 ? 145 ARG A N 1 -ATOM 1143 C CA . ARG A 1 145 ? 41.489 12.668 2.019 1.00 11.87 ? 145 ARG A CA 1 -ATOM 1144 C C . ARG A 1 145 ? 40.279 12.131 1.275 1.00 15.09 ? 145 ARG A C 1 -ATOM 1145 O O . ARG A 1 145 ? 39.963 10.928 1.351 1.00 12.87 ? 145 ARG A O 1 -ATOM 1146 C CB . ARG A 1 145 ? 41.046 13.456 3.261 1.00 12.92 ? 145 ARG A CB 1 -ATOM 1147 C CG . ARG A 1 145 ? 40.050 12.560 4.011 1.00 16.09 ? 145 ARG A CG 1 -ATOM 1148 C CD . ARG A 1 145 ? 39.711 13.021 5.377 1.00 29.66 ? 145 ARG A CD 1 -ATOM 1149 N NE . ARG A 1 145 ? 38.852 12.133 6.125 1.00 17.06 ? 145 ARG A NE 1 -ATOM 1150 C CZ . ARG A 1 145 ? 38.652 12.610 7.330 1.00 25.24 ? 145 ARG A CZ 1 -ATOM 1151 N NH1 . ARG A 1 145 ? 39.232 13.773 7.613 1.00 14.37 ? 145 ARG A NH1 1 -ATOM 1152 N NH2 . ARG A 1 145 ? 37.906 11.984 8.211 1.00 8.19 ? 145 ARG A NH2 1 -ATOM 1153 N N . ALA A 1 146 ? 39.576 12.988 0.523 1.00 8.21 ? 146 ALA A N 1 -ATOM 1154 C CA . ALA A 1 146 ? 38.424 12.511 -0.228 1.00 10.66 ? 146 ALA A CA 1 -ATOM 1155 C C . ALA A 1 146 ? 38.836 11.363 -1.206 1.00 17.82 ? 146 ALA A C 1 -ATOM 1156 O O . ALA A 1 146 ? 38.168 10.328 -1.309 1.00 13.00 ? 146 ALA A O 1 -ATOM 1157 C CB . ALA A 1 146 ? 37.698 13.665 -0.913 1.00 16.91 ? 146 ALA A CB 1 -ATOM 1158 N N . LYS A 1 147 ? 39.969 11.509 -1.921 1.00 12.48 ? 147 LYS A N 1 -ATOM 1159 C CA . LYS A 1 147 ? 40.425 10.461 -2.854 1.00 14.33 ? 147 LYS A CA 1 -ATOM 1160 C C . LYS A 1 147 ? 40.601 9.168 -2.134 1.00 13.48 ? 147 LYS A C 1 -ATOM 1161 O O . LYS A 1 147 ? 40.341 8.111 -2.679 1.00 11.61 ? 147 LYS A O 1 -ATOM 1162 C CB . LYS A 1 147 ? 41.784 10.762 -3.471 1.00 13.76 ? 147 LYS A CB 1 -ATOM 1163 C CG . LYS A 1 147 ? 41.552 11.900 -4.409 1.00 23.01 ? 147 LYS A CG 1 -ATOM 1164 C CD . LYS A 1 147 ? 42.544 12.081 -5.523 1.00 52.27 ? 147 LYS A CD 1 -ATOM 1165 C CE . LYS A 1 147 ? 42.632 13.569 -5.851 1.00 51.63 ? 147 LYS A CE 1 -ATOM 1166 N NZ . LYS A 1 147 ? 44.000 14.120 -5.797 1.00 67.04 ? 147 LYS A NZ 1 -ATOM 1167 N N . ARG A 1 148 ? 41.138 9.258 -0.942 1.00 8.06 ? 148 ARG A N 1 -ATOM 1168 C CA . ARG A 1 148 ? 41.355 8.048 -0.178 1.00 7.10 ? 148 ARG A CA 1 -ATOM 1169 C C . ARG A 1 148 ? 40.058 7.343 0.137 1.00 12.71 ? 148 ARG A C 1 -ATOM 1170 O O . ARG A 1 148 ? 39.958 6.108 0.000 1.00 13.39 ? 148 ARG A O 1 -ATOM 1171 C CB . ARG A 1 148 ? 42.168 8.244 1.114 1.00 5.93 ? 148 ARG A CB 1 -ATOM 1172 C CG . ARG A 1 148 ? 43.634 8.591 0.882 1.00 8.61 ? 148 ARG A CG 1 -ATOM 1173 C CD . ARG A 1 148 ? 44.438 8.432 2.141 1.00 7.98 ? 148 ARG A CD 1 -ATOM 1174 N NE . ARG A 1 148 ? 44.217 9.550 3.085 1.00 15.86 ? 148 ARG A NE 1 -ATOM 1175 C CZ . ARG A 1 148 ? 44.753 10.787 3.080 1.00 24.70 ? 148 ARG A CZ 1 -ATOM 1176 N NH1 . ARG A 1 148 ? 45.646 11.219 2.150 1.00 13.93 ? 148 ARG A NH1 1 -ATOM 1177 N NH2 . ARG A 1 148 ? 44.363 11.640 4.027 1.00 8.49 ? 148 ARG A NH2 1 -ATOM 1178 N N . VAL A 1 149 ? 39.069 8.079 0.621 1.00 7.43 ? 149 VAL A N 1 -ATOM 1179 C CA . VAL A 1 149 ? 37.761 7.446 0.991 1.00 7.57 ? 149 VAL A CA 1 -ATOM 1180 C C . VAL A 1 149 ? 37.055 6.927 -0.230 1.00 5.01 ? 149 VAL A C 1 -ATOM 1181 O O . VAL A 1 149 ? 36.439 5.859 -0.246 1.00 15.45 ? 149 VAL A O 1 -ATOM 1182 C CB . VAL A 1 149 ? 36.935 8.444 1.771 1.00 11.28 ? 149 VAL A CB 1 -ATOM 1183 C CG1 . VAL A 1 149 ? 35.486 8.022 1.996 1.00 7.50 ? 149 VAL A CG1 1 -ATOM 1184 C CG2 . VAL A 1 149 ? 37.659 8.883 3.064 1.00 7.54 ? 149 VAL A CG2 1 -ATOM 1185 N N . ILE A 1 150 ? 37.118 7.750 -1.313 1.00 7.76 ? 150 ILE A N 1 -ATOM 1186 C CA . ILE A 1 150 ? 36.542 7.374 -2.602 1.00 7.58 ? 150 ILE A CA 1 -ATOM 1187 C C . ILE A 1 150 ? 37.101 6.099 -3.162 1.00 13.35 ? 150 ILE A C 1 -ATOM 1188 O O . ILE A 1 150 ? 36.346 5.265 -3.626 1.00 13.35 ? 150 ILE A O 1 -ATOM 1189 C CB . ILE A 1 150 ? 36.642 8.458 -3.662 1.00 14.83 ? 150 ILE A CB 1 -ATOM 1190 C CG1 . ILE A 1 150 ? 35.634 9.513 -3.308 1.00 12.66 ? 150 ILE A CG1 1 -ATOM 1191 C CG2 . ILE A 1 150 ? 36.208 7.809 -4.973 1.00 17.69 ? 150 ILE A CG2 1 -ATOM 1192 C CD1 . ILE A 1 150 ? 35.858 10.840 -4.008 1.00 12.06 ? 150 ILE A CD1 1 -ATOM 1193 N N . THR A 1 151 ? 38.427 5.937 -3.140 1.00 13.29 ? 151 THR A N 1 -ATOM 1194 C CA . THR A 1 151 ? 39.100 4.728 -3.633 1.00 12.71 ? 151 THR A CA 1 -ATOM 1195 C C . THR A 1 151 ? 38.671 3.523 -2.853 1.00 10.25 ? 151 THR A C 1 -ATOM 1196 O O . THR A 1 151 ? 38.551 2.433 -3.369 1.00 10.80 ? 151 THR A O 1 -ATOM 1197 C CB . THR A 1 151 ? 40.606 4.832 -3.430 1.00 13.90 ? 151 THR A CB 1 -ATOM 1198 O OG1 . THR A 1 151 ? 41.056 5.743 -4.388 1.00 19.77 ? 151 THR A OG1 1 -ATOM 1199 C CG2 . THR A 1 151 ? 41.301 3.477 -3.678 1.00 16.19 ? 151 THR A CG2 1 -ATOM 1200 N N . THR A 1 152 ? 38.447 3.784 -1.563 1.00 6.08 ? 152 THR A N 1 -ATOM 1201 C CA . THR A 1 152 ? 37.984 2.731 -0.652 1.00 8.72 ? 152 THR A CA 1 -ATOM 1202 C C . THR A 1 152 ? 36.606 2.250 -1.068 1.00 18.14 ? 152 THR A C 1 -ATOM 1203 O O . THR A 1 152 ? 36.290 1.067 -1.109 1.00 13.27 ? 152 THR A O 1 -ATOM 1204 C CB . THR A 1 152 ? 37.989 3.203 0.813 1.00 12.59 ? 152 THR A CB 1 -ATOM 1205 O OG1 . THR A 1 152 ? 39.280 3.587 1.172 1.00 12.91 ? 152 THR A OG1 1 -ATOM 1206 C CG2 . THR A 1 152 ? 37.564 2.082 1.774 1.00 10.31 ? 152 THR A CG2 1 -ATOM 1207 N N . PHE A 1 153 ? 35.735 3.181 -1.382 1.00 7.04 ? 153 PHE A N 1 -ATOM 1208 C CA . PHE A 1 153 ? 34.449 2.756 -1.808 1.00 8.49 ? 153 PHE A CA 1 -ATOM 1209 C C . PHE A 1 153 ? 34.513 2.087 -3.159 1.00 17.56 ? 153 PHE A C 1 -ATOM 1210 O O . PHE A 1 153 ? 33.756 1.172 -3.471 1.00 17.07 ? 153 PHE A O 1 -ATOM 1211 C CB . PHE A 1 153 ? 33.600 4.045 -1.971 1.00 7.07 ? 153 PHE A CB 1 -ATOM 1212 C CG . PHE A 1 153 ? 32.890 4.511 -0.728 1.00 15.78 ? 153 PHE A CG 1 -ATOM 1213 C CD1 . PHE A 1 153 ? 32.109 3.608 -0.003 1.00 14.65 ? 153 PHE A CD1 1 -ATOM 1214 C CD2 . PHE A 1 153 ? 32.904 5.850 -0.346 1.00 11.39 ? 153 PHE A CD2 1 -ATOM 1215 C CE1 . PHE A 1 153 ? 31.376 4.017 1.101 1.00 7.67 ? 153 PHE A CE1 1 -ATOM 1216 C CE2 . PHE A 1 153 ? 32.120 6.299 0.718 1.00 12.11 ? 153 PHE A CE2 1 -ATOM 1217 C CZ . PHE A 1 153 ? 31.347 5.382 1.421 1.00 6.15 ? 153 PHE A CZ 1 -ATOM 1218 N N . ARG A 1 154 ? 35.395 2.591 -4.021 1.00 15.35 ? 154 ARG A N 1 -ATOM 1219 C CA . ARG A 1 154 ? 35.497 2.024 -5.341 1.00 13.13 ? 154 ARG A CA 1 -ATOM 1220 C C . ARG A 1 154 ? 35.975 0.604 -5.353 1.00 17.57 ? 154 ARG A C 1 -ATOM 1221 O O . ARG A 1 154 ? 35.407 -0.195 -6.074 1.00 19.63 ? 154 ARG A O 1 -ATOM 1222 C CB . ARG A 1 154 ? 36.367 2.854 -6.262 1.00 11.27 ? 154 ARG A CB 1 -ATOM 1223 C CG . ARG A 1 154 ? 36.108 2.461 -7.705 1.00 21.61 ? 154 ARG A CG 1 -ATOM 1224 C CD . ARG A 1 154 ? 36.846 3.332 -8.716 1.00 21.68 ? 154 ARG A CD 1 -ATOM 1225 N NE . ARG A 1 154 ? 38.068 3.848 -8.109 1.00 60.13 ? 154 ARG A NE 1 -ATOM 1226 C CZ . ARG A 1 154 ? 39.309 3.292 -8.092 1.00 72.59 ? 154 ARG A CZ 1 -ATOM 1227 N NH1 . ARG A 1 154 ? 39.649 2.164 -8.750 1.00 57.79 ? 154 ARG A NH1 1 -ATOM 1228 N NH2 . ARG A 1 154 ? 40.261 3.935 -7.392 1.00 60.80 ? 154 ARG A NH2 1 -ATOM 1229 N N . THR A 1 155 ? 36.986 0.303 -4.513 1.00 18.17 ? 155 THR A N 1 -ATOM 1230 C CA . THR A 1 155 ? 37.648 -0.995 -4.478 1.00 15.40 ? 155 THR A CA 1 -ATOM 1231 C C . THR A 1 155 ? 37.181 -1.996 -3.479 1.00 21.30 ? 155 THR A C 1 -ATOM 1232 O O . THR A 1 155 ? 37.402 -3.167 -3.711 1.00 24.27 ? 155 THR A O 1 -ATOM 1233 C CB . THR A 1 155 ? 39.174 -0.915 -4.375 1.00 16.87 ? 155 THR A CB 1 -ATOM 1234 O OG1 . THR A 1 155 ? 39.610 -0.193 -3.244 1.00 16.67 ? 155 THR A OG1 1 -ATOM 1235 C CG2 . THR A 1 155 ? 39.613 -0.169 -5.591 1.00 17.74 ? 155 THR A CG2 1 -ATOM 1236 N N . GLY A 1 156 ? 36.632 -1.527 -2.364 1.00 19.28 ? 156 GLY A N 1 -ATOM 1237 C CA . GLY A 1 156 ? 36.323 -2.393 -1.272 1.00 12.82 ? 156 GLY A CA 1 -ATOM 1238 C C . GLY A 1 156 ? 37.605 -2.954 -0.658 1.00 18.02 ? 156 GLY A C 1 -ATOM 1239 O O . GLY A 1 156 ? 37.561 -3.948 0.030 1.00 13.87 ? 156 GLY A O 1 -ATOM 1240 N N . THR A 1 157 ? 38.788 -2.289 -0.814 1.00 10.13 ? 157 THR A N 1 -ATOM 1241 C CA . THR A 1 157 ? 40.085 -2.684 -0.215 1.00 17.53 ? 157 THR A CA 1 -ATOM 1242 C C . THR A 1 157 ? 40.692 -1.501 0.562 1.00 21.77 ? 157 THR A C 1 -ATOM 1243 O O . THR A 1 157 ? 40.272 -0.357 0.422 1.00 16.55 ? 157 THR A O 1 -ATOM 1244 C CB . THR A 1 157 ? 41.169 -2.987 -1.285 1.00 15.41 ? 157 THR A CB 1 -ATOM 1245 O OG1 . THR A 1 157 ? 41.618 -1.775 -1.895 1.00 22.11 ? 157 THR A OG1 1 -ATOM 1246 C CG2 . THR A 1 157 ? 40.708 -4.026 -2.314 1.00 15.52 ? 157 THR A CG2 1 -ATOM 1247 N N . TRP A 1 158 ? 41.747 -1.738 1.336 1.00 16.93 ? 158 TRP A N 1 -ATOM 1248 C CA . TRP A 1 158 ? 42.403 -0.665 2.081 1.00 15.50 ? 158 TRP A CA 1 -ATOM 1249 C C . TRP A 1 158 ? 43.611 -0.138 1.331 1.00 15.68 ? 158 TRP A C 1 -ATOM 1250 O O . TRP A 1 158 ? 44.475 0.446 1.935 1.00 16.68 ? 158 TRP A O 1 -ATOM 1251 C CB . TRP A 1 158 ? 42.977 -1.255 3.382 1.00 10.35 ? 158 TRP A CB 1 -ATOM 1252 C CG . TRP A 1 158 ? 41.921 -1.660 4.397 1.00 19.13 ? 158 TRP A CG 1 -ATOM 1253 C CD1 . TRP A 1 158 ? 41.635 -2.934 4.746 1.00 14.88 ? 158 TRP A CD1 1 -ATOM 1254 C CD2 . TRP A 1 158 ? 40.923 -0.832 5.091 1.00 18.20 ? 158 TRP A CD2 1 -ATOM 1255 N NE1 . TRP A 1 158 ? 40.545 -2.965 5.605 1.00 16.68 ? 158 TRP A NE1 1 -ATOM 1256 C CE2 . TRP A 1 158 ? 40.138 -1.704 5.908 1.00 15.32 ? 158 TRP A CE2 1 -ATOM 1257 C CE3 . TRP A 1 158 ? 40.688 0.530 5.220 1.00 15.87 ? 158 TRP A CE3 1 -ATOM 1258 C CZ2 . TRP A 1 158 ? 39.086 -1.268 6.745 1.00 18.52 ? 158 TRP A CZ2 1 -ATOM 1259 C CZ3 . TRP A 1 158 ? 39.751 0.951 6.157 1.00 13.74 ? 158 TRP A CZ3 1 -ATOM 1260 C CH2 . TRP A 1 158 ? 38.944 0.081 6.888 1.00 16.05 ? 158 TRP A CH2 1 -ATOM 1261 N N . ASP A 1 159 ? 43.745 -0.429 0.045 1.00 15.73 ? 159 ASP A N 1 -ATOM 1262 C CA . ASP A 1 159 ? 44.979 0.012 -0.592 1.00 13.80 ? 159 ASP A CA 1 -ATOM 1263 C C . ASP A 1 159 ? 45.339 1.468 -0.459 1.00 19.13 ? 159 ASP A C 1 -ATOM 1264 O O . ASP A 1 159 ? 46.530 1.743 -0.558 1.00 20.39 ? 159 ASP A O 1 -ATOM 1265 C CB . ASP A 1 159 ? 45.056 -0.329 -2.071 1.00 23.38 ? 159 ASP A CB 1 -ATOM 1266 C CG . ASP A 1 159 ? 44.798 -1.773 -2.360 1.00 56.02 ? 159 ASP A CG 1 -ATOM 1267 O OD1 . ASP A 1 159 ? 45.282 -2.564 -1.440 1.00 48.28 ? 159 ASP A OD1 1 -ATOM 1268 O OD2 . ASP A 1 159 ? 44.178 -2.150 -3.336 1.00 43.98 ? 159 ASP A OD2 1 -ATOM 1269 N N . ALA A 1 160 ? 44.337 2.389 -0.339 1.00 15.79 ? 160 ALA A N 1 -ATOM 1270 C CA . ALA A 1 160 ? 44.574 3.837 -0.298 1.00 8.49 ? 160 ALA A CA 1 -ATOM 1271 C C . ALA A 1 160 ? 45.259 4.138 0.966 1.00 13.98 ? 160 ALA A C 1 -ATOM 1272 O O . ALA A 1 160 ? 45.875 5.174 1.067 1.00 24.36 ? 160 ALA A O 1 -ATOM 1273 C CB . ALA A 1 160 ? 43.350 4.749 -0.381 1.00 12.83 ? 160 ALA A CB 1 -ATOM 1274 N N . TYR A 1 161 ? 45.135 3.223 1.904 1.00 11.22 ? 161 TYR A N 1 -ATOM 1275 C CA . TYR A 1 161 ? 45.739 3.445 3.184 1.00 17.78 ? 161 TYR A CA 1 -ATOM 1276 C C . TYR A 1 161 ? 47.002 2.681 3.387 1.00 22.85 ? 161 TYR A C 1 -ATOM 1277 O O . TYR A 1 161 ? 47.596 2.768 4.468 1.00 24.75 ? 161 TYR A O 1 -ATOM 1278 C CB . TYR A 1 161 ? 44.738 3.249 4.329 1.00 14.35 ? 161 TYR A CB 1 -ATOM 1279 C CG . TYR A 1 161 ? 43.636 4.303 4.277 1.00 15.63 ? 161 TYR A CG 1 -ATOM 1280 C CD1 . TYR A 1 161 ? 42.512 4.155 3.473 1.00 8.39 ? 161 TYR A CD1 1 -ATOM 1281 C CD2 . TYR A 1 161 ? 43.782 5.433 5.059 1.00 6.47 ? 161 TYR A CD2 1 -ATOM 1282 C CE1 . TYR A 1 161 ? 41.522 5.124 3.496 1.00 14.29 ? 161 TYR A CE1 1 -ATOM 1283 C CE2 . TYR A 1 161 ? 42.800 6.426 5.112 1.00 6.43 ? 161 TYR A CE2 1 -ATOM 1284 C CZ . TYR A 1 161 ? 41.672 6.250 4.322 1.00 17.86 ? 161 TYR A CZ 1 -ATOM 1285 O OH . TYR A 1 161 ? 40.699 7.211 4.316 1.00 11.78 ? 161 TYR A OH 1 -ATOM 1286 N N . LYS A 1 162 ? 47.449 1.979 2.356 1.00 36.62 ? 162 LYS A N 1 -ATOM 1287 C CA . LYS A 1 162 ? 48.691 1.247 2.498 1.00 51.23 ? 162 LYS A CA 1 -ATOM 1288 C C . LYS A 1 162 ? 49.993 1.902 2.111 1.00 49.85 ? 162 LYS A C 1 -ATOM 1289 O O . LYS A 1 162 ? 50.873 1.999 2.969 1.00 38.58 ? 162 LYS A O 1 -ATOM 1290 C CB . LYS A 1 162 ? 48.671 -0.245 2.572 1.00 36.91 ? 162 LYS A CB 1 -ATOM 1291 C CG . LYS A 1 162 ? 47.359 -0.704 3.138 1.00 33.88 ? 162 LYS A CG 1 -ATOM 1292 C CD . LYS A 1 162 ? 47.026 -2.108 2.670 1.00 60.33 ? 162 LYS A CD 1 -ATOM 1293 C CE . LYS A 1 162 ? 46.899 -2.304 1.160 1.00 61.45 ? 162 LYS A CE 1 -ATOM 1294 N NZ . LYS A 1 162 ? 45.871 -3.323 0.835 1.00 61.34 ? 162 LYS A NZ 1 -HETATM 1295 CL CL . CL B 2 . ? 43.066 16.466 1.964 1.00 27.98 ? 173 CL A CL 1 -HETATM 1296 CL CL . CL C 2 . ? 32.021 15.321 24.065 0.50 30.32 ? 178 CL A CL 1 -HETATM 1297 C C1 . BME D 3 . ? 32.132 0.068 16.871 1.00 65.15 ? 901 BME A C1 1 -HETATM 1298 C C2 . BME D 3 . ? 33.111 -0.340 15.715 1.00 39.30 ? 901 BME A C2 1 -HETATM 1299 O O1 . BME D 3 . ? 32.059 1.465 17.190 1.00 57.65 ? 901 BME A O1 1 -HETATM 1300 S S2 . BME D 3 . ? 32.256 -1.211 14.336 1.00 70.70 ? 901 BME A S2 1 -HETATM 1301 C C1 . BME E 3 . ? 33.706 -0.601 10.482 1.00 60.79 ? 902 BME A C1 1 -HETATM 1302 C C2 . BME E 3 . ? 33.738 -0.337 12.017 1.00 21.62 ? 902 BME A C2 1 -HETATM 1303 O O1 . BME E 3 . ? 33.317 -1.925 10.100 1.00 36.38 ? 902 BME A O1 1 -HETATM 1304 S S2 . BME E 3 . ? 33.588 -1.829 12.923 1.00 42.26 ? 902 BME A S2 1 -HETATM 1305 O O . HOH F 4 . ? 38.106 12.599 18.206 1.00 10.86 ? 171 HOH A O 1 -HETATM 1306 O O . HOH F 4 . ? 36.034 18.934 2.952 1.00 23.17 ? 172 HOH A O 1 -HETATM 1307 O O . HOH F 4 . ? 41.913 23.200 1.217 1.00 18.46 ? 174 HOH A O 1 -HETATM 1308 O O . HOH F 4 . ? 41.478 2.175 0.195 1.00 20.14 ? 175 HOH A O 1 -HETATM 1309 O O . HOH F 4 . ? 32.887 -7.914 4.204 1.00 18.53 ? 177 HOH A O 1 -HETATM 1310 O O . HOH F 4 . ? 40.217 12.963 19.957 1.00 10.94 ? 179 HOH A O 1 -HETATM 1311 O O . HOH F 4 . ? 44.763 10.752 -1.826 1.00 23.97 ? 180 HOH A O 1 -HETATM 1312 O O . HOH F 4 . ? 28.305 -6.796 5.093 1.00 19.34 ? 181 HOH A O 1 -HETATM 1313 O O . HOH F 4 . ? 33.227 12.814 22.387 1.00 19.82 ? 182 HOH A O 1 -HETATM 1314 O O . HOH F 4 . ? 33.724 11.156 29.216 1.00 26.41 ? 183 HOH A O 1 -HETATM 1315 O O . HOH F 4 . ? 48.654 9.615 28.772 1.00 59.46 ? 184 HOH A O 1 -HETATM 1316 O O . HOH F 4 . ? 31.385 5.600 23.638 1.00 20.09 ? 185 HOH A O 1 -HETATM 1317 O O . HOH F 4 . ? 40.114 5.131 20.487 1.00 45.37 ? 186 HOH A O 1 -HETATM 1318 O O . HOH F 4 . ? 39.481 22.512 -6.949 1.00 25.94 ? 188 HOH A O 1 -HETATM 1319 O O . HOH F 4 . ? 50.593 17.974 19.830 1.00 38.88 ? 189 HOH A O 1 -HETATM 1320 O O . HOH F 4 . ? 36.080 27.494 15.955 1.00 26.27 ? 190 HOH A O 1 -HETATM 1321 O O . HOH F 4 . ? 36.981 29.681 14.557 1.00 45.30 ? 191 HOH A O 1 -HETATM 1322 O O . HOH F 4 . ? 43.945 25.535 9.832 1.00 27.91 ? 192 HOH A O 1 -HETATM 1323 O O . HOH F 4 . ? 19.980 -2.342 3.217 1.00 28.17 ? 193 HOH A O 1 -HETATM 1324 O O . HOH F 4 . ? 34.992 5.497 -11.102 1.00 44.24 ? 194 HOH A O 1 -HETATM 1325 O O . HOH F 4 . ? 36.871 -1.247 10.777 1.00 10.73 ? 195 HOH A O 1 -HETATM 1326 O O . HOH F 4 . ? 46.264 20.345 30.622 1.00 38.01 ? 196 HOH A O 1 -HETATM 1327 O O . HOH F 4 . ? 25.013 12.740 -4.458 1.00 22.25 ? 197 HOH A O 1 -HETATM 1328 O O . HOH F 4 . ? 31.084 25.668 28.156 1.00 32.56 ? 198 HOH A O 1 -HETATM 1329 O O . HOH F 4 . ? 33.223 18.611 22.479 1.00 34.25 ? 200 HOH A O 1 -HETATM 1330 O O . HOH F 4 . ? 29.620 8.434 22.088 1.00 18.37 ? 201 HOH A O 1 -HETATM 1331 O O . HOH F 4 . ? 30.915 12.336 20.496 1.00 49.56 ? 202 HOH A O 1 -HETATM 1332 O O . HOH F 4 . ? 37.397 19.467 13.261 1.00 23.14 ? 203 HOH A O 1 -HETATM 1333 O O . HOH F 4 . ? 39.038 17.726 11.737 1.00 33.32 ? 204 HOH A O 1 -HETATM 1334 O O . HOH F 4 . ? 26.209 17.574 9.205 1.00 42.24 ? 206 HOH A O 1 -HETATM 1335 O O . HOH F 4 . ? 41.482 16.222 8.851 1.00 39.78 ? 207 HOH A O 1 -HETATM 1336 O O . HOH F 4 . ? 35.610 11.479 4.944 1.00 12.43 ? 208 HOH A O 1 -HETATM 1337 O O . HOH F 4 . ? 42.756 16.899 4.902 1.00 22.62 ? 209 HOH A O 1 -HETATM 1338 O O . HOH F 4 . ? 35.200 -5.401 0.725 1.00 33.00 ? 210 HOH A O 1 -HETATM 1339 O O . HOH F 4 . ? 46.920 9.775 -0.079 1.00 22.90 ? 211 HOH A O 1 -HETATM 1340 O O . HOH F 4 . ? 23.282 17.492 -1.793 1.00 42.04 ? 212 HOH A O 1 -HETATM 1341 O O . HOH F 4 . ? 25.866 -1.888 -1.184 1.00 13.81 ? 213 HOH A O 1 -HETATM 1342 O O . HOH F 4 . ? 22.219 -3.804 -1.929 1.00 40.48 ? 214 HOH A O 1 -HETATM 1343 O O . HOH F 4 . ? 33.150 14.071 26.489 1.00 16.09 ? 215 HOH A O 1 -HETATM 1344 O O . HOH F 4 . ? 36.071 10.120 -8.742 1.00 38.79 ? 216 HOH A O 1 -HETATM 1345 O O . HOH F 4 . ? 34.215 -1.083 -9.622 1.00 35.85 ? 217 HOH A O 1 -HETATM 1346 O O . HOH F 4 . ? 27.990 8.802 -11.881 1.00 30.84 ? 218 HOH A O 1 -HETATM 1347 O O . HOH F 4 . ? 27.532 11.674 -11.339 1.00 27.06 ? 219 HOH A O 1 -HETATM 1348 O O . HOH F 4 . ? 34.379 18.740 -8.614 1.00 31.86 ? 220 HOH A O 1 -HETATM 1349 O O . HOH F 4 . ? 29.780 25.438 17.572 1.00 38.23 ? 222 HOH A O 1 -HETATM 1350 O O . HOH F 4 . ? 42.440 -4.701 12.718 1.00 26.35 ? 223 HOH A O 1 -HETATM 1351 O O . HOH F 4 . ? 36.165 17.314 13.019 1.00 30.89 ? 224 HOH A O 1 -HETATM 1352 O O . HOH F 4 . ? 33.867 16.922 12.045 1.00 41.12 ? 225 HOH A O 1 -HETATM 1353 O O . HOH F 4 . ? 48.881 6.649 11.941 1.00 53.17 ? 227 HOH A O 1 -HETATM 1354 O O . HOH F 4 . ? 47.796 11.300 10.029 1.00 56.34 ? 228 HOH A O 1 -HETATM 1355 O O . HOH F 4 . ? 42.091 16.839 12.142 1.00 26.47 ? 229 HOH A O 1 -HETATM 1356 O O . HOH F 4 . ? 43.409 13.859 6.019 1.00 28.59 ? 230 HOH A O 1 -HETATM 1357 O O . HOH F 4 . ? 43.131 -4.421 1.580 1.00 31.18 ? 231 HOH A O 1 -HETATM 1358 O O . HOH F 4 . ? 46.861 6.779 -0.851 1.00 29.54 ? 232 HOH A O 1 -HETATM 1359 O O . HOH F 4 . ? 44.550 7.533 -2.609 1.00 57.51 ? 233 HOH A O 1 -HETATM 1360 O O . HOH F 4 . ? 40.692 18.998 -7.157 1.00 38.96 ? 234 HOH A O 1 -HETATM 1361 O O . HOH F 4 . ? 31.223 -0.055 -11.147 1.00 30.40 ? 235 HOH A O 1 -HETATM 1362 O O . HOH F 4 . ? 46.266 20.107 11.841 1.00 50.54 ? 236 HOH A O 1 -HETATM 1363 O O . HOH F 4 . ? 40.251 16.310 6.486 1.00 31.99 ? 237 HOH A O 1 -HETATM 1364 O O . HOH F 4 . ? 35.209 -2.529 -7.770 1.00 33.75 ? 238 HOH A O 1 -HETATM 1365 O O . HOH F 4 . ? 36.146 12.616 28.542 1.00 28.05 ? 239 HOH A O 1 -HETATM 1366 O O . HOH F 4 . ? 43.463 5.187 25.446 1.00 28.46 ? 240 HOH A O 1 -HETATM 1367 O O . HOH F 4 . ? 25.532 9.630 17.293 1.00 47.04 ? 242 HOH A O 1 -HETATM 1368 O O . HOH F 4 . ? 47.042 4.491 11.775 1.00 30.16 ? 244 HOH A O 1 -HETATM 1369 O O . HOH F 4 . ? 47.474 13.565 2.485 1.00 46.09 ? 245 HOH A O 1 -HETATM 1370 O O . HOH F 4 . ? 30.204 16.023 20.299 1.00 48.31 ? 246 HOH A O 1 -HETATM 1371 O O . HOH F 4 . ? 46.004 25.982 14.334 1.00 53.17 ? 247 HOH A O 1 -HETATM 1372 O O . HOH F 4 . ? 39.256 -5.606 6.305 1.00 25.42 ? 248 HOH A O 1 -HETATM 1373 O O . HOH F 4 . ? 38.655 10.137 -7.404 1.00 53.90 ? 249 HOH A O 1 -HETATM 1374 O O . HOH F 4 . ? 36.170 11.598 -10.496 1.00 46.10 ? 250 HOH A O 1 -HETATM 1375 O O . HOH F 4 . ? 33.807 13.196 -11.161 1.00 24.14 ? 251 HOH A O 1 -HETATM 1376 O O . HOH F 4 . ? 18.956 5.861 1.451 1.00 44.72 ? 253 HOH A O 1 -HETATM 1377 O O . HOH F 4 . ? 25.136 16.309 11.745 1.00 49.79 ? 254 HOH A O 1 -HETATM 1378 O O . HOH F 4 . ? 36.967 15.762 10.602 1.00 29.50 ? 256 HOH A O 1 -HETATM 1379 O O . HOH F 4 . ? 46.214 7.129 18.186 1.00 52.36 ? 257 HOH A O 1 -HETATM 1380 O O . HOH F 4 . ? 41.021 13.059 32.239 1.00 29.90 ? 259 HOH A O 1 -HETATM 1381 O O . HOH F 4 . ? 45.043 10.792 30.836 1.00 36.80 ? 260 HOH A O 1 -HETATM 1382 O O . HOH F 4 . ? 48.669 9.586 12.000 1.00 50.66 ? 262 HOH A O 1 -HETATM 1383 O O . HOH F 4 . ? 44.770 15.896 8.745 1.00 48.14 ? 263 HOH A O 1 -HETATM 1384 O O . HOH F 4 . ? 34.246 15.539 16.255 1.00 33.20 ? 266 HOH A O 1 -HETATM 1385 O O . HOH F 4 . ? 34.977 15.444 13.616 1.00 38.33 ? 267 HOH A O 1 -HETATM 1386 O O . HOH F 4 . ? 16.637 9.339 9.882 1.00 42.32 ? 268 HOH A O 1 -HETATM 1387 O O . HOH F 4 . ? 44.357 22.066 10.214 1.00 27.65 ? 269 HOH A O 1 -HETATM 1388 O O . HOH F 4 . ? 30.184 18.468 -0.309 1.00 18.81 ? 270 HOH A O 1 -HETATM 1389 O O . HOH F 4 . ? 17.786 12.942 -5.778 1.00 39.17 ? 272 HOH A O 1 -HETATM 1390 O O . HOH F 4 . ? 38.685 -6.283 0.944 1.00 27.88 ? 273 HOH A O 1 -HETATM 1391 O O . HOH F 4 . ? 31.388 11.721 15.591 1.00 33.26 ? 274 HOH A O 1 -HETATM 1392 O O . HOH F 4 . ? 29.456 19.399 6.703 1.00 58.46 ? 275 HOH A O 1 -HETATM 1393 O O . HOH F 4 . ? 34.350 -4.727 -5.366 1.00 27.60 ? 277 HOH A O 1 -HETATM 1394 O O . HOH F 4 . ? 41.242 25.573 31.511 1.00 44.58 ? 278 HOH A O 1 -HETATM 1395 O O . HOH F 4 . ? 32.681 17.450 18.672 1.00 44.59 ? 280 HOH A O 1 -HETATM 1396 O O . HOH F 4 . ? 31.858 20.902 21.555 1.00 35.88 ? 281 HOH A O 1 -HETATM 1397 O O . HOH F 4 . ? 44.567 4.506 16.153 1.00 51.42 ? 283 HOH A O 1 -HETATM 1398 O O . HOH F 4 . ? 50.118 16.522 26.839 1.00 47.72 ? 286 HOH A O 1 -HETATM 1399 O O . HOH F 4 . ? 44.134 -1.335 15.733 1.00 24.89 ? 288 HOH A O 1 -HETATM 1400 O O . HOH F 4 . ? 21.329 10.194 14.298 1.00 54.99 ? 289 HOH A O 1 -HETATM 1401 O O . HOH F 4 . ? 23.811 -5.778 0.027 1.00 44.92 ? 291 HOH A O 1 -HETATM 1402 O O . HOH F 4 . ? 19.883 7.577 -2.206 1.00 58.96 ? 292 HOH A O 1 -HETATM 1403 O O . HOH F 4 . ? 27.809 -1.012 -11.729 1.00 40.49 ? 293 HOH A O 1 -HETATM 1404 O O . HOH F 4 . ? 47.710 1.514 10.380 1.00 40.17 ? 294 HOH A O 1 -HETATM 1405 O O . HOH F 4 . ? 47.052 3.850 15.016 1.00 41.17 ? 295 HOH A O 1 -HETATM 1406 O O . HOH F 4 . ? 41.663 -6.393 6.143 1.00 28.04 ? 296 HOH A O 1 -HETATM 1407 O O . HOH F 4 . ? 40.005 -6.311 3.317 1.00 53.78 ? 297 HOH A O 1 -HETATM 1408 O O . HOH F 4 . ? 44.961 16.266 14.509 1.00 33.47 ? 298 HOH A O 1 -HETATM 1409 O O . HOH F 4 . ? 32.946 13.245 14.724 1.00 31.31 ? 299 HOH A O 1 -HETATM 1410 O O . HOH F 4 . ? 37.513 19.094 -9.379 1.00 39.04 ? 300 HOH A O 1 -HETATM 1411 O O . HOH F 4 . ? 19.387 4.938 -1.437 1.00 51.90 ? 301 HOH A O 1 -HETATM 1412 O O . HOH F 4 . ? 18.448 -2.009 6.365 1.00 55.47 ? 302 HOH A O 1 -HETATM 1413 O O . HOH F 4 . ? 33.545 19.122 3.801 1.00 38.67 ? 303 HOH A O 1 -HETATM 1414 O O . HOH F 4 . ? 41.349 18.938 10.042 1.00 47.77 ? 304 HOH A O 1 -HETATM 1415 O O . HOH F 4 . ? 34.989 21.250 10.086 1.00 38.07 ? 306 HOH A O 1 -HETATM 1416 O O . HOH F 4 . ? 39.407 14.744 34.064 1.00 49.03 ? 308 HOH A O 1 -HETATM 1417 O O . HOH F 4 . ? 35.596 27.830 1.133 1.00 53.98 ? 309 HOH A O 1 -HETATM 1418 O O . HOH F 4 . ? 29.537 1.470 -11.697 1.00 26.04 ? 311 HOH A O 1 -HETATM 1419 O O . HOH F 4 . ? 39.837 11.790 -8.484 1.00 36.47 ? 312 HOH A O 1 -HETATM 1420 O O . HOH F 4 . ? 40.383 8.515 -5.589 1.00 54.85 ? 313 HOH A O 1 -HETATM 1421 O O . HOH F 4 . ? 36.774 21.440 4.924 1.00 63.98 ? 314 HOH A O 1 -HETATM 1422 O O . HOH F 4 . ? 42.283 16.386 -8.253 1.00 59.57 ? 316 HOH A O 1 -HETATM 1423 O O . HOH F 4 . ? 15.074 2.991 6.210 1.00 66.66 ? 318 HOH A O 1 -HETATM 1424 O O . HOH F 4 . ? 38.159 18.604 7.298 1.00 47.72 ? 321 HOH A O 1 -HETATM 1425 O O . HOH F 4 . ? 48.363 22.233 18.340 1.00 50.45 ? 322 HOH A O 1 -HETATM 1426 O O . HOH F 4 . ? 38.755 11.996 30.818 1.00 45.43 ? 323 HOH A O 1 -HETATM 1427 O O . HOH F 4 . ? 30.861 14.479 12.421 1.00 54.68 ? 324 HOH A O 1 -HETATM 1428 O O . HOH F 4 . ? 38.606 12.214 27.659 1.00 42.39 ? 325 HOH A O 1 -HETATM 1429 O O . HOH F 4 . ? 24.630 18.507 1.307 1.00 46.96 ? 326 HOH A O 1 -HETATM 1430 O O . HOH F 4 . ? 37.018 35.575 23.595 1.00 53.98 ? 327 HOH A O 1 -HETATM 1431 O O . HOH F 4 . ? 20.109 -5.222 9.535 1.00 47.29 ? 328 HOH A O 1 -HETATM 1432 O O . HOH F 4 . ? 45.244 14.063 32.661 1.00 60.20 ? 329 HOH A O 1 -HETATM 1433 O O . HOH F 4 . ? 38.139 13.734 -10.113 1.00 52.09 ? 331 HOH A O 1 -HETATM 1434 O O . HOH F 4 . ? 18.964 9.154 0.496 1.00 55.92 ? 332 HOH A O 1 -HETATM 1435 O O . HOH F 4 . ? 39.839 24.279 3.680 1.00 59.76 ? 333 HOH A O 1 -HETATM 1436 O O . HOH F 4 . ? 18.981 -4.152 12.065 1.00 58.84 ? 334 HOH A O 1 -HETATM 1437 O O . HOH F 4 . ? 34.584 -5.481 -1.982 1.00 56.18 ? 335 HOH A O 1 -HETATM 1438 O O . HOH F 4 . ? 14.452 7.807 11.328 1.00 60.45 ? 336 HOH A O 1 -HETATM 1439 O O . HOH F 4 . ? 29.766 22.907 19.920 1.00 49.90 ? 338 HOH A O 1 -HETATM 1440 O O . HOH F 4 . ? 47.319 -1.370 10.336 1.00 65.28 ? 339 HOH A O 1 -HETATM 1441 O O . HOH F 4 . ? 49.198 8.420 17.838 1.00 58.43 ? 340 HOH A O 1 -HETATM 1442 O O . HOH F 4 . ? 36.830 18.561 9.417 1.00 57.55 ? 341 HOH A O 1 -HETATM 1443 O O . HOH F 4 . ? 27.095 -6.679 11.252 1.00 48.88 ? 342 HOH A O 1 -HETATM 1444 O O . HOH F 4 . ? 38.966 -4.725 -5.855 1.00 55.57 ? 343 HOH A O 1 -HETATM 1445 O O . HOH F 4 . ? 18.312 10.408 12.505 1.00 43.87 ? 344 HOH A O 1 -HETATM 1446 O O . HOH F 4 . ? 18.475 3.493 0.963 1.00 55.07 ? 345 HOH A O 1 -HETATM 1447 O O . HOH F 4 . ? 22.262 3.248 17.652 1.00 50.12 ? 346 HOH A O 1 -HETATM 1448 O O . HOH F 4 . ? 38.541 31.900 14.393 1.00 55.37 ? 347 HOH A O 1 -HETATM 1449 O O . HOH F 4 . ? 31.467 24.059 8.504 1.00 58.32 ? 348 HOH A O 1 -HETATM 1450 O O . HOH F 4 . ? 49.421 13.551 13.503 1.00 46.17 ? 349 HOH A O 1 -HETATM 1451 O O . HOH F 4 . ? 32.234 26.776 6.189 1.00 56.28 ? 350 HOH A O 1 -HETATM 1452 O O . HOH F 4 . ? 38.470 27.451 30.132 1.00 62.46 ? 351 HOH A O 1 -HETATM 1453 O O . HOH F 4 . ? 47.232 16.522 32.212 1.00 51.81 ? 353 HOH A O 1 -HETATM 1454 O O . HOH F 4 . ? 35.327 -6.797 -4.535 1.00 59.00 ? 354 HOH A O 1 -HETATM 1455 O O . HOH F 4 . ? 23.660 15.914 14.509 1.00 63.10 ? 355 HOH A O 1 -HETATM 1456 O O . HOH F 4 . ? 35.057 15.989 -9.663 1.00 60.48 ? 356 HOH A O 1 -HETATM 1457 O O . HOH F 4 . ? 12.369 5.911 11.023 1.00 62.92 ? 358 HOH A O 1 -HETATM 1458 O O . HOH F 4 . ? 45.303 19.309 35.451 1.00 64.33 ? 360 HOH A O 1 -HETATM 1459 O O . HOH F 4 . ? 47.687 -2.941 13.331 1.00 62.84 ? 361 HOH A O 1 -HETATM 1460 O O . HOH F 4 . ? 35.153 -2.169 8.707 1.00 47.28 ? 364 HOH A O 1 -HETATM 1461 O O . HOH F 4 . ? 50.038 5.215 17.678 1.00 60.38 ? 366 HOH A O 1 -HETATM 1462 O O . HOH F 4 . ? 26.205 13.417 13.220 1.00 52.26 ? 367 HOH A O 1 -HETATM 1463 O O . HOH F 4 . ? 14.842 14.968 3.653 1.00 65.47 ? 368 HOH A O 1 -#