diff --git "a/structures/2iz9.cif" "b/structures/2iz9.cif" new file mode 100644--- /dev/null +++ "b/structures/2iz9.cif" @@ -0,0 +1,6836 @@ +data_2IZ9 +# +_entry.id 2IZ9 +# +_audit_conform.dict_name mmcif_pdbx.dic +_audit_conform.dict_version 5.391 +_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 2IZ9 pdb_00002iz9 10.2210/pdb2iz9/pdb +PDBE EBI-27079 ? ? +WWPDB D_1290027079 ? ? +# +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 2006-07-27 +2 'Structure model' 1 1 2011-05-08 +3 'Structure model' 1 2 2011-07-13 +4 'Structure model' 1 3 2018-01-17 +5 'Structure model' 1 4 2024-05-01 +# +_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' 'Data collection' +4 5 'Structure model' 'Data collection' +5 5 'Structure model' 'Database references' +6 5 'Structure model' 'Derived calculations' +7 5 'Structure model' Other +8 5 'Structure model' 'Refinement description' +# +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' diffrn_source +2 5 'Structure model' chem_comp_atom +3 5 'Structure model' chem_comp_bond +4 5 'Structure model' database_2 +5 5 'Structure model' pdbx_database_status +6 5 'Structure model' pdbx_initial_refinement_model +7 5 'Structure model' pdbx_struct_oper_list +8 5 'Structure model' struct_conn +# +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' '_diffrn_source.pdbx_synchrotron_site' +2 5 'Structure model' '_database_2.pdbx_DOI' +3 5 'Structure model' '_database_2.pdbx_database_accession' +4 5 'Structure model' '_pdbx_database_status.status_code_sf' +5 5 'Structure model' '_pdbx_struct_oper_list.name' +6 5 'Structure model' '_pdbx_struct_oper_list.symmetry_operation' +7 5 'Structure model' '_pdbx_struct_oper_list.type' +8 5 'Structure model' '_struct_conn.pdbx_leaving_atom_flag' +# +_pdbx_database_PDB_obs_spr.id SPRSDE +_pdbx_database_PDB_obs_spr.date 2006-07-27 +_pdbx_database_PDB_obs_spr.pdb_id 2IZ9 +_pdbx_database_PDB_obs_spr.replace_pdb_id 1DZS +_pdbx_database_PDB_obs_spr.details ? +# +_pdbx_database_status.status_code REL +_pdbx_database_status.entry_id 2IZ9 +_pdbx_database_status.deposit_site PDBE +_pdbx_database_status.process_site PDBE +_pdbx_database_status.SG_entry . +_pdbx_database_status.recvd_initial_deposition_date 2006-07-25 +_pdbx_database_status.pdb_format_compatible Y +_pdbx_database_status.status_code_sf REL +_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_ +_pdbx_database_related.db_name +_pdbx_database_related.db_id +_pdbx_database_related.content_type +_pdbx_database_related.details +PDB 1AQ3 unspecified 'STRUCTURE OF A MS2 COAT PROTEIN MUTANT IN COMPLEX WITH ANRNA OPERATOR' +PDB 1AQ4 unspecified 'STRUCTURE OF A MS2 COAT PROTEIN MUTANT IN COMPLEX WITH ANRNA OPERATOR' +PDB 1BMS unspecified . +PDB 1MSC unspecified . +PDB 1MST unspecified . +PDB 1MVA unspecified 'STRUCTURE OF A PROTEIN CAPSID OF THE T45A MUTANT OF PHAGEMS2' +PDB 1MVB unspecified 'STRUCTURE OF A PROTEIN CAPSID OF THE T59S MUTANT OF PHAGEMS2' +PDB 1U1Y unspecified +;CRYSTAL STRUCTURE OF A COMPLEX BETWEEN WT BACTERIOPHAGE MS2COAT PROTEIN AND AN F5 APTAMER RNA STEMLOOP WITH2AMINOPURINE SUBSTITUTED AT THE-10 POSITION +; +PDB 1ZDH unspecified 'STRUCTURE OF BACTERIOPHAGE COAT PROTEIN- OPERATOR COMPLEX' +PDB 1ZDI unspecified 'STRUCTURE OF MS2 PROTEIN CAPSID' +PDB 1ZDJ unspecified 'STRUCTURE OF BACTERIOPHAGE COAT PROTEIN-LOOP RNA COMPLEX' +PDB 1ZDK unspecified 'STRUCTURE OF BACTERIOPHAGE COAT PROTEIN-LOOP RNA COMPLEX' +PDB 1ZSE unspecified 'RNA STEMLOOP FROM BACTERIOPHAGE QBETA COMPLEXED WITH ANN87S MUTANT MS2 CAPSID' +PDB 2B2D unspecified 'RNA STEMLOOP OPERATOR FROM BACTERIOPHAGE QBETA COMPLEXEDWITH AN N87S,E89K MUTANT MS2 CAPSID' +PDB 2B2E unspecified 'RNA STEMLOOP FROM BACTERIOPHAGE MS2 COMPLEXED WITH AN N87S,E89K MUTANT MS2 CAPSID' +PDB 2B2G unspecified 'MS2 WILD-TYPE RNA STEMLOOP COMPLEXED WITH AN N87S MUTANTMS2 CAPSID' +PDB 2BNY unspecified 'MS2 (N87A MUTANT) - RNA HAIRPIN COMPLEX' +PDB 2BQ5 unspecified 'MS2 (N87AE89K MUTANT) - RNA HAIRPIN COMPLEX' +PDB 2BS0 unspecified 'MS2 (N87AE89K MUTANT) - VARIANT QBETA RNA HAIRPIN COMPLEX' +PDB 2BS1 unspecified 'MS2 (N87AE89K MUTANT) - QBETA RNA HAIRPIN COMPLEX' +PDB 2BU1 unspecified 'MS2-RNA HAIRPIN (5BRU -5) COMPLEX' +PDB 2C4Q unspecified 'MS2-RNA HAIRPIN (2ONE -5) COMPLEX' +PDB 2C4Y unspecified 'MS2-RNA HAIRPIN (2THIOURACIL-5) COMPLEX' +PDB 2C4Z unspecified 'MS2-RNA HAIRPIN (2SU -5-6) COMPLEX' +PDB 2C50 unspecified 'MS2-RNA HAIRPIN (A -5) COMPLEX' +PDB 2C51 unspecified 'MS2-RNA HAIRPIN (G -5) COMPLEX' +PDB 2MS2 unspecified 'MS2 VIRUS (BACTERIOPHAGE)' +PDB 5MSF unspecified 'F5 APTAMER MS2 COAT PROTEIN COMPLEX' +PDB 6MSF unspecified 'F6 APTAMER MS2 COAT PROTEIN COMPLEX' +PDB 7MSF unspecified 'F7 APTAMER MS2 COAT PROTEIN COMPLEX' +PDB 2IZ8 unspecified 'MS2-RNA HAIRPIN (C-7) COMPLEX' +PDB 2IZM unspecified 'MS2-RNA HAIRPIN (C-10) COMPLEX' +PDB 2IZN unspecified 'MS2-RNA HAIRPIN (G-10) COMPLEX' +# +loop_ +_audit_author.name +_audit_author.pdbx_ordinal +'Grahn, E.' 1 +'Stonehouse, N.J.' 2 +'Adams, C.J.' 3 +'Fridborg, K.' 4 +'Beigelman, L.' 5 +'Matulic-Adamic, J.' 6 +'Warriner, S.L.' 7 +'Stockley, P.G.' 8 +'Liljas, L.' 9 +# +_citation.id primary +_citation.title +;Deletion of a Single Hydrogen Bonding Atom from the MS2 RNA Operator Leads to Dramatic Rearrangements at the RNA-Coat Protein Interface +; +_citation.journal_abbrev 'Nucleic Acids Res.' +_citation.journal_volume 28 +_citation.page_first 4611 +_citation.page_last ? +_citation.year 2000 +_citation.journal_id_ASTM NARHAD +_citation.country UK +_citation.journal_id_ISSN 0305-1048 +_citation.journal_id_CSD 0389 +_citation.book_publisher ? +_citation.pdbx_database_id_PubMed 11095669 +_citation.pdbx_database_id_DOI 10.1093/NAR/28.23.4611 +# +loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +_citation_author.identifier_ORCID +primary 'Grahn, E.' 1 ? +primary 'Stonehouse, N.J.' 2 ? +primary 'Adams, C.J.' 3 ? +primary 'Fridborg, K.' 4 ? +primary 'Beigelman, L.' 5 ? +primary 'Matulic-Adamic, J.' 6 ? +primary 'Warriner, S.L.' 7 ? +primary 'Stockley, P.G.' 8 ? +primary 'Liljas, L.' 9 ? +# +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 'MS2 COAT PROTEIN' 13738.464 3 ? ? ? ? +2 polymer syn +;5'-R(*AP*CP*AP*UP*GP*AP*GP*GP*AP*U ONEP *AP*CP*CP*CP*AP*UP*GP*U)-3' +; +6045.670 2 ? ? ? 'COAT PROTEIN-BINDING HAIRPIN' +3 water nat water 18.015 156 ? ? ? ? +# +loop_ +_entity_poly.entity_id +_entity_poly.type +_entity_poly.nstd_linkage +_entity_poly.nstd_monomer +_entity_poly.pdbx_seq_one_letter_code +_entity_poly.pdbx_seq_one_letter_code_can +_entity_poly.pdbx_strand_id +_entity_poly.pdbx_target_identifier +1 'polypeptide(L)' no no +;ASNFTQFVLVDNGGTGDVTVAPSNFANGVAEWISSNSRSQAYKVTCSVRQSSAQNRKYTIKVEVPKVATQTVGGVELPVA +AWRSYLNMELTIPIFATNSDCELIVKAMQGLLKDGNPIPSAIAANSGIY +; +;ASNFTQFVLVDNGGTGDVTVAPSNFANGVAEWISSNSRSQAYKVTCSVRQSSAQNRKYTIKVEVPKVATQTVGGVELPVA +AWRSYLNMELTIPIFATNSDCELIVKAMQGLLKDGNPIPSAIAANSGIY +; +A,B,C ? +2 polyribonucleotide no yes 'ACAUGAGGAU(ONE)ACCCAUGU' ACAUGAGGAUUACCCAUGU R,S ? +# +_pdbx_entity_nonpoly.entity_id 3 +_pdbx_entity_nonpoly.name water +_pdbx_entity_nonpoly.comp_id HOH +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.num +_entity_poly_seq.mon_id +_entity_poly_seq.hetero +1 1 ALA n +1 2 SER n +1 3 ASN n +1 4 PHE n +1 5 THR n +1 6 GLN n +1 7 PHE n +1 8 VAL n +1 9 LEU n +1 10 VAL n +1 11 ASP n +1 12 ASN n +1 13 GLY n +1 14 GLY n +1 15 THR n +1 16 GLY n +1 17 ASP n +1 18 VAL n +1 19 THR n +1 20 VAL n +1 21 ALA n +1 22 PRO n +1 23 SER n +1 24 ASN n +1 25 PHE n +1 26 ALA n +1 27 ASN n +1 28 GLY n +1 29 VAL n +1 30 ALA n +1 31 GLU n +1 32 TRP n +1 33 ILE n +1 34 SER n +1 35 SER n +1 36 ASN n +1 37 SER n +1 38 ARG n +1 39 SER n +1 40 GLN n +1 41 ALA n +1 42 TYR n +1 43 LYS n +1 44 VAL n +1 45 THR n +1 46 CYS n +1 47 SER n +1 48 VAL n +1 49 ARG n +1 50 GLN n +1 51 SER n +1 52 SER n +1 53 ALA n +1 54 GLN n +1 55 ASN n +1 56 ARG n +1 57 LYS n +1 58 TYR n +1 59 THR n +1 60 ILE n +1 61 LYS n +1 62 VAL n +1 63 GLU n +1 64 VAL n +1 65 PRO n +1 66 LYS n +1 67 VAL n +1 68 ALA n +1 69 THR n +1 70 GLN n +1 71 THR n +1 72 VAL n +1 73 GLY n +1 74 GLY n +1 75 VAL n +1 76 GLU n +1 77 LEU n +1 78 PRO n +1 79 VAL n +1 80 ALA n +1 81 ALA n +1 82 TRP n +1 83 ARG n +1 84 SER n +1 85 TYR n +1 86 LEU n +1 87 ASN n +1 88 MET n +1 89 GLU n +1 90 LEU n +1 91 THR n +1 92 ILE n +1 93 PRO n +1 94 ILE n +1 95 PHE n +1 96 ALA n +1 97 THR n +1 98 ASN n +1 99 SER n +1 100 ASP n +1 101 CYS n +1 102 GLU n +1 103 LEU n +1 104 ILE n +1 105 VAL n +1 106 LYS n +1 107 ALA n +1 108 MET n +1 109 GLN n +1 110 GLY n +1 111 LEU n +1 112 LEU n +1 113 LYS n +1 114 ASP n +1 115 GLY n +1 116 ASN n +1 117 PRO n +1 118 ILE n +1 119 PRO n +1 120 SER n +1 121 ALA n +1 122 ILE n +1 123 ALA n +1 124 ALA n +1 125 ASN n +1 126 SER n +1 127 GLY n +1 128 ILE n +1 129 TYR n +2 1 A n +2 2 C n +2 3 A n +2 4 U n +2 5 G n +2 6 A n +2 7 G n +2 8 G n +2 9 A n +2 10 U n +2 11 ONE n +2 12 A n +2 13 C n +2 14 C n +2 15 C n +2 16 A n +2 17 U n +2 18 G n +2 19 U n +# +_entity_src_gen.entity_id 1 +_entity_src_gen.pdbx_src_id 1 +_entity_src_gen.pdbx_alt_source_flag sample +_entity_src_gen.pdbx_seq_type ? +_entity_src_gen.pdbx_beg_seq_num ? +_entity_src_gen.pdbx_end_seq_num ? +_entity_src_gen.gene_src_common_name ? +_entity_src_gen.gene_src_genus ? +_entity_src_gen.pdbx_gene_src_gene ? +_entity_src_gen.gene_src_species ? +_entity_src_gen.gene_src_strain ? +_entity_src_gen.gene_src_tissue ? +_entity_src_gen.gene_src_tissue_fraction ? +_entity_src_gen.gene_src_details ? +_entity_src_gen.pdbx_gene_src_fragment ? +_entity_src_gen.pdbx_gene_src_scientific_name 'ENTEROBACTERIO PHAGE MS2' +_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 12022 +_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 'ESCHERICHIA COLI' +_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 562 +_entity_src_gen.host_org_genus ? +_entity_src_gen.pdbx_host_org_gene ? +_entity_src_gen.pdbx_host_org_organ ? +_entity_src_gen.host_org_species ? +_entity_src_gen.pdbx_host_org_tissue ? +_entity_src_gen.pdbx_host_org_tissue_fraction ? +_entity_src_gen.pdbx_host_org_strain ? +_entity_src_gen.pdbx_host_org_variant ? +_entity_src_gen.pdbx_host_org_cell_line ? +_entity_src_gen.pdbx_host_org_atcc ? +_entity_src_gen.pdbx_host_org_culture_collection ? +_entity_src_gen.pdbx_host_org_cell ? +_entity_src_gen.pdbx_host_org_organelle ? +_entity_src_gen.pdbx_host_org_cellular_location ? +_entity_src_gen.pdbx_host_org_vector_type ? +_entity_src_gen.pdbx_host_org_vector ? +_entity_src_gen.host_org_details ? +_entity_src_gen.expression_system_id ? +_entity_src_gen.plasmid_name ? +_entity_src_gen.plasmid_details ? +_entity_src_gen.pdbx_description ? +# +_pdbx_entity_src_syn.entity_id 2 +_pdbx_entity_src_syn.pdbx_src_id 1 +_pdbx_entity_src_syn.pdbx_alt_source_flag sample +_pdbx_entity_src_syn.pdbx_beg_seq_num ? +_pdbx_entity_src_syn.pdbx_end_seq_num ? +_pdbx_entity_src_syn.organism_scientific 'ENTEROBACTERIO PHAGE MS2' +_pdbx_entity_src_syn.organism_common_name ? +_pdbx_entity_src_syn.ncbi_taxonomy_id 12022 +_pdbx_entity_src_syn.details ? +# +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 +A 'RNA linking' y "ADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221 +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 +C 'RNA linking' y "CYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O8 P' 323.197 +CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 +G 'RNA linking' y "GUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O8 P' 363.221 +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 +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 +ONE 'RNA linking' n "1-(BETA-D-RIBOFURANOSYL)-PYRIDIN-4-ONE-5'-PHOSPHATE" ? 'C10 H14 N O8 P' 307.194 +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 +U 'RNA linking' y "URIDINE-5'-MONOPHOSPHATE" ? 'C9 H13 N2 O9 P' 324.181 +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 ALA 1 1 1 ALA ALA A . n +A 1 2 SER 2 2 2 SER SER A . n +A 1 3 ASN 3 3 3 ASN ASN A . n +A 1 4 PHE 4 4 4 PHE PHE A . n +A 1 5 THR 5 5 5 THR THR A . n +A 1 6 GLN 6 6 6 GLN GLN A . n +A 1 7 PHE 7 7 7 PHE PHE A . n +A 1 8 VAL 8 8 8 VAL VAL A . n +A 1 9 LEU 9 9 9 LEU LEU A . n +A 1 10 VAL 10 10 10 VAL VAL A . n +A 1 11 ASP 11 11 11 ASP ASP A . n +A 1 12 ASN 12 12 12 ASN ASN A . n +A 1 13 GLY 13 13 13 GLY GLY A . n +A 1 14 GLY 14 14 14 GLY GLY A . n +A 1 15 THR 15 15 15 THR THR A . n +A 1 16 GLY 16 16 16 GLY GLY A . n +A 1 17 ASP 17 17 17 ASP ASP A . n +A 1 18 VAL 18 18 18 VAL VAL A . n +A 1 19 THR 19 19 19 THR THR A . n +A 1 20 VAL 20 20 20 VAL VAL A . n +A 1 21 ALA 21 21 21 ALA ALA A . n +A 1 22 PRO 22 22 22 PRO PRO A . n +A 1 23 SER 23 23 23 SER SER A . n +A 1 24 ASN 24 24 24 ASN ASN A . n +A 1 25 PHE 25 25 25 PHE PHE A . n +A 1 26 ALA 26 26 26 ALA ALA A . n +A 1 27 ASN 27 27 27 ASN ASN A . n +A 1 28 GLY 28 28 28 GLY GLY A . n +A 1 29 VAL 29 29 29 VAL VAL A . n +A 1 30 ALA 30 30 30 ALA ALA A . n +A 1 31 GLU 31 31 31 GLU GLU A . n +A 1 32 TRP 32 32 32 TRP TRP A . n +A 1 33 ILE 33 33 33 ILE ILE A . n +A 1 34 SER 34 34 34 SER SER A . n +A 1 35 SER 35 35 35 SER SER A . n +A 1 36 ASN 36 36 36 ASN ASN A . n +A 1 37 SER 37 37 37 SER SER A . n +A 1 38 ARG 38 38 38 ARG ARG A . n +A 1 39 SER 39 39 39 SER SER A . n +A 1 40 GLN 40 40 40 GLN GLN A . n +A 1 41 ALA 41 41 41 ALA ALA A . n +A 1 42 TYR 42 42 42 TYR TYR A . n +A 1 43 LYS 43 43 43 LYS LYS A . n +A 1 44 VAL 44 44 44 VAL VAL A . n +A 1 45 THR 45 45 45 THR THR A . n +A 1 46 CYS 46 46 46 CYS CYS A . n +A 1 47 SER 47 47 47 SER SER A . n +A 1 48 VAL 48 48 48 VAL VAL A . n +A 1 49 ARG 49 49 49 ARG ARG A . n +A 1 50 GLN 50 50 50 GLN GLN A . n +A 1 51 SER 51 51 51 SER SER A . n +A 1 52 SER 52 52 52 SER SER A . n +A 1 53 ALA 53 53 53 ALA ALA A . n +A 1 54 GLN 54 54 54 GLN GLN A . n +A 1 55 ASN 55 55 55 ASN ASN A . n +A 1 56 ARG 56 56 56 ARG ARG A . n +A 1 57 LYS 57 57 57 LYS LYS A . n +A 1 58 TYR 58 58 58 TYR TYR A . n +A 1 59 THR 59 59 59 THR THR A . n +A 1 60 ILE 60 60 60 ILE ILE A . n +A 1 61 LYS 61 61 61 LYS LYS A . n +A 1 62 VAL 62 62 62 VAL VAL A . n +A 1 63 GLU 63 63 63 GLU GLU A . n +A 1 64 VAL 64 64 64 VAL VAL A . n +A 1 65 PRO 65 65 65 PRO PRO A . n +A 1 66 LYS 66 66 66 LYS LYS A . n +A 1 67 VAL 67 67 67 VAL VAL A . n +A 1 68 ALA 68 68 68 ALA ALA A . n +A 1 69 THR 69 69 69 THR THR A . n +A 1 70 GLN 70 70 70 GLN GLN A . n +A 1 71 THR 71 71 71 THR THR A . n +A 1 72 VAL 72 72 72 VAL VAL A . n +A 1 73 GLY 73 73 73 GLY GLY A . n +A 1 74 GLY 74 74 74 GLY GLY A . n +A 1 75 VAL 75 75 75 VAL VAL A . n +A 1 76 GLU 76 76 76 GLU GLU A . n +A 1 77 LEU 77 77 77 LEU LEU A . n +A 1 78 PRO 78 78 78 PRO PRO A . n +A 1 79 VAL 79 79 79 VAL VAL A . n +A 1 80 ALA 80 80 80 ALA ALA A . n +A 1 81 ALA 81 81 81 ALA ALA A . n +A 1 82 TRP 82 82 82 TRP TRP A . n +A 1 83 ARG 83 83 83 ARG ARG A . n +A 1 84 SER 84 84 84 SER SER A . n +A 1 85 TYR 85 85 85 TYR TYR A . n +A 1 86 LEU 86 86 86 LEU LEU A . n +A 1 87 ASN 87 87 87 ASN ASN A . n +A 1 88 MET 88 88 88 MET MET A . n +A 1 89 GLU 89 89 89 GLU GLU A . n +A 1 90 LEU 90 90 90 LEU LEU A . n +A 1 91 THR 91 91 91 THR THR A . n +A 1 92 ILE 92 92 92 ILE ILE A . n +A 1 93 PRO 93 93 93 PRO PRO A . n +A 1 94 ILE 94 94 94 ILE ILE A . n +A 1 95 PHE 95 95 95 PHE PHE A . n +A 1 96 ALA 96 96 96 ALA ALA A . n +A 1 97 THR 97 97 97 THR THR A . n +A 1 98 ASN 98 98 98 ASN ASN A . n +A 1 99 SER 99 99 99 SER SER A . n +A 1 100 ASP 100 100 100 ASP ASP A . n +A 1 101 CYS 101 101 101 CYS CYS A . n +A 1 102 GLU 102 102 102 GLU GLU A . n +A 1 103 LEU 103 103 103 LEU LEU A . n +A 1 104 ILE 104 104 104 ILE ILE A . n +A 1 105 VAL 105 105 105 VAL VAL A . n +A 1 106 LYS 106 106 106 LYS LYS A . n +A 1 107 ALA 107 107 107 ALA ALA A . n +A 1 108 MET 108 108 108 MET MET A . n +A 1 109 GLN 109 109 109 GLN GLN A . n +A 1 110 GLY 110 110 110 GLY GLY A . n +A 1 111 LEU 111 111 111 LEU LEU A . n +A 1 112 LEU 112 112 112 LEU LEU A . n +A 1 113 LYS 113 113 113 LYS LYS A . n +A 1 114 ASP 114 114 114 ASP ASP A . n +A 1 115 GLY 115 115 115 GLY GLY A . n +A 1 116 ASN 116 116 116 ASN ASN A . n +A 1 117 PRO 117 117 117 PRO PRO A . n +A 1 118 ILE 118 118 118 ILE ILE A . n +A 1 119 PRO 119 119 119 PRO PRO A . n +A 1 120 SER 120 120 120 SER SER A . n +A 1 121 ALA 121 121 121 ALA ALA A . n +A 1 122 ILE 122 122 122 ILE ILE A . n +A 1 123 ALA 123 123 123 ALA ALA A . n +A 1 124 ALA 124 124 124 ALA ALA A . n +A 1 125 ASN 125 125 125 ASN ASN A . n +A 1 126 SER 126 126 126 SER SER A . n +A 1 127 GLY 127 127 127 GLY GLY A . n +A 1 128 ILE 128 128 128 ILE ILE A . n +A 1 129 TYR 129 129 129 TYR TYR A . n +B 1 1 ALA 1 1 1 ALA ALA B . n +B 1 2 SER 2 2 2 SER SER B . n +B 1 3 ASN 3 3 3 ASN ASN B . n +B 1 4 PHE 4 4 4 PHE PHE B . n +B 1 5 THR 5 5 5 THR THR B . n +B 1 6 GLN 6 6 6 GLN GLN B . n +B 1 7 PHE 7 7 7 PHE PHE B . n +B 1 8 VAL 8 8 8 VAL VAL B . n +B 1 9 LEU 9 9 9 LEU LEU B . n +B 1 10 VAL 10 10 10 VAL VAL B . n +B 1 11 ASP 11 11 11 ASP ASP B . n +B 1 12 ASN 12 12 12 ASN ASN B . n +B 1 13 GLY 13 13 13 GLY GLY B . n +B 1 14 GLY 14 14 14 GLY GLY B . n +B 1 15 THR 15 15 15 THR THR B . n +B 1 16 GLY 16 16 16 GLY GLY B . n +B 1 17 ASP 17 17 17 ASP ASP B . n +B 1 18 VAL 18 18 18 VAL VAL B . n +B 1 19 THR 19 19 19 THR THR B . n +B 1 20 VAL 20 20 20 VAL VAL B . n +B 1 21 ALA 21 21 21 ALA ALA B . n +B 1 22 PRO 22 22 22 PRO PRO B . n +B 1 23 SER 23 23 23 SER SER B . n +B 1 24 ASN 24 24 24 ASN ASN B . n +B 1 25 PHE 25 25 25 PHE PHE B . n +B 1 26 ALA 26 26 26 ALA ALA B . n +B 1 27 ASN 27 27 27 ASN ASN B . n +B 1 28 GLY 28 28 28 GLY GLY B . n +B 1 29 VAL 29 29 29 VAL VAL B . n +B 1 30 ALA 30 30 30 ALA ALA B . n +B 1 31 GLU 31 31 31 GLU GLU B . n +B 1 32 TRP 32 32 32 TRP TRP B . n +B 1 33 ILE 33 33 33 ILE ILE B . n +B 1 34 SER 34 34 34 SER SER B . n +B 1 35 SER 35 35 35 SER SER B . n +B 1 36 ASN 36 36 36 ASN ASN B . n +B 1 37 SER 37 37 37 SER SER B . n +B 1 38 ARG 38 38 38 ARG ARG B . n +B 1 39 SER 39 39 39 SER SER B . n +B 1 40 GLN 40 40 40 GLN GLN B . n +B 1 41 ALA 41 41 41 ALA ALA B . n +B 1 42 TYR 42 42 42 TYR TYR B . n +B 1 43 LYS 43 43 43 LYS LYS B . n +B 1 44 VAL 44 44 44 VAL VAL B . n +B 1 45 THR 45 45 45 THR THR B . n +B 1 46 CYS 46 46 46 CYS CYS B . n +B 1 47 SER 47 47 47 SER SER B . n +B 1 48 VAL 48 48 48 VAL VAL B . n +B 1 49 ARG 49 49 49 ARG ARG B . n +B 1 50 GLN 50 50 50 GLN GLN B . n +B 1 51 SER 51 51 51 SER SER B . n +B 1 52 SER 52 52 52 SER SER B . n +B 1 53 ALA 53 53 53 ALA ALA B . n +B 1 54 GLN 54 54 54 GLN GLN B . n +B 1 55 ASN 55 55 55 ASN ASN B . n +B 1 56 ARG 56 56 56 ARG ARG B . n +B 1 57 LYS 57 57 57 LYS LYS B . n +B 1 58 TYR 58 58 58 TYR TYR B . n +B 1 59 THR 59 59 59 THR THR B . n +B 1 60 ILE 60 60 60 ILE ILE B . n +B 1 61 LYS 61 61 61 LYS LYS B . n +B 1 62 VAL 62 62 62 VAL VAL B . n +B 1 63 GLU 63 63 63 GLU GLU B . n +B 1 64 VAL 64 64 64 VAL VAL B . n +B 1 65 PRO 65 65 65 PRO PRO B . n +B 1 66 LYS 66 66 66 LYS LYS B . n +B 1 67 VAL 67 67 67 VAL VAL B . n +B 1 68 ALA 68 68 68 ALA ALA B . n +B 1 69 THR 69 69 69 THR THR B . n +B 1 70 GLN 70 70 70 GLN GLN B . n +B 1 71 THR 71 71 71 THR THR B . n +B 1 72 VAL 72 72 72 VAL VAL B . n +B 1 73 GLY 73 73 73 GLY GLY B . n +B 1 74 GLY 74 74 74 GLY GLY B . n +B 1 75 VAL 75 75 75 VAL VAL B . n +B 1 76 GLU 76 76 76 GLU GLU B . n +B 1 77 LEU 77 77 77 LEU LEU B . n +B 1 78 PRO 78 78 78 PRO PRO B . n +B 1 79 VAL 79 79 79 VAL VAL B . n +B 1 80 ALA 80 80 80 ALA ALA B . n +B 1 81 ALA 81 81 81 ALA ALA B . n +B 1 82 TRP 82 82 82 TRP TRP B . n +B 1 83 ARG 83 83 83 ARG ARG B . n +B 1 84 SER 84 84 84 SER SER B . n +B 1 85 TYR 85 85 85 TYR TYR B . n +B 1 86 LEU 86 86 86 LEU LEU B . n +B 1 87 ASN 87 87 87 ASN ASN B . n +B 1 88 MET 88 88 88 MET MET B . n +B 1 89 GLU 89 89 89 GLU GLU B . n +B 1 90 LEU 90 90 90 LEU LEU B . n +B 1 91 THR 91 91 91 THR THR B . n +B 1 92 ILE 92 92 92 ILE ILE B . n +B 1 93 PRO 93 93 93 PRO PRO B . n +B 1 94 ILE 94 94 94 ILE ILE B . n +B 1 95 PHE 95 95 95 PHE PHE B . n +B 1 96 ALA 96 96 96 ALA ALA B . n +B 1 97 THR 97 97 97 THR THR B . n +B 1 98 ASN 98 98 98 ASN ASN B . n +B 1 99 SER 99 99 99 SER SER B . n +B 1 100 ASP 100 100 100 ASP ASP B . n +B 1 101 CYS 101 101 101 CYS CYS B . n +B 1 102 GLU 102 102 102 GLU GLU B . n +B 1 103 LEU 103 103 103 LEU LEU B . n +B 1 104 ILE 104 104 104 ILE ILE B . n +B 1 105 VAL 105 105 105 VAL VAL B . n +B 1 106 LYS 106 106 106 LYS LYS B . n +B 1 107 ALA 107 107 107 ALA ALA B . n +B 1 108 MET 108 108 108 MET MET B . n +B 1 109 GLN 109 109 109 GLN GLN B . n +B 1 110 GLY 110 110 110 GLY GLY B . n +B 1 111 LEU 111 111 111 LEU LEU B . n +B 1 112 LEU 112 112 112 LEU LEU B . n +B 1 113 LYS 113 113 113 LYS LYS B . n +B 1 114 ASP 114 114 114 ASP ASP B . n +B 1 115 GLY 115 115 115 GLY GLY B . n +B 1 116 ASN 116 116 116 ASN ASN B . n +B 1 117 PRO 117 117 117 PRO PRO B . n +B 1 118 ILE 118 118 118 ILE ILE B . n +B 1 119 PRO 119 119 119 PRO PRO B . n +B 1 120 SER 120 120 120 SER SER B . n +B 1 121 ALA 121 121 121 ALA ALA B . n +B 1 122 ILE 122 122 122 ILE ILE B . n +B 1 123 ALA 123 123 123 ALA ALA B . n +B 1 124 ALA 124 124 124 ALA ALA B . n +B 1 125 ASN 125 125 125 ASN ASN B . n +B 1 126 SER 126 126 126 SER SER B . n +B 1 127 GLY 127 127 127 GLY GLY B . n +B 1 128 ILE 128 128 128 ILE ILE B . n +B 1 129 TYR 129 129 129 TYR TYR B . n +C 1 1 ALA 1 1 1 ALA ALA C . n +C 1 2 SER 2 2 2 SER SER C . n +C 1 3 ASN 3 3 3 ASN ASN C . n +C 1 4 PHE 4 4 4 PHE PHE C . n +C 1 5 THR 5 5 5 THR THR C . n +C 1 6 GLN 6 6 6 GLN GLN C . n +C 1 7 PHE 7 7 7 PHE PHE C . n +C 1 8 VAL 8 8 8 VAL VAL C . n +C 1 9 LEU 9 9 9 LEU LEU C . n +C 1 10 VAL 10 10 10 VAL VAL C . n +C 1 11 ASP 11 11 11 ASP ASP C . n +C 1 12 ASN 12 12 12 ASN ASN C . n +C 1 13 GLY 13 13 13 GLY GLY C . n +C 1 14 GLY 14 14 14 GLY GLY C . n +C 1 15 THR 15 15 15 THR THR C . n +C 1 16 GLY 16 16 16 GLY GLY C . n +C 1 17 ASP 17 17 17 ASP ASP C . n +C 1 18 VAL 18 18 18 VAL VAL C . n +C 1 19 THR 19 19 19 THR THR C . n +C 1 20 VAL 20 20 20 VAL VAL C . n +C 1 21 ALA 21 21 21 ALA ALA C . n +C 1 22 PRO 22 22 22 PRO PRO C . n +C 1 23 SER 23 23 23 SER SER C . n +C 1 24 ASN 24 24 24 ASN ASN C . n +C 1 25 PHE 25 25 25 PHE PHE C . n +C 1 26 ALA 26 26 26 ALA ALA C . n +C 1 27 ASN 27 27 27 ASN ASN C . n +C 1 28 GLY 28 28 28 GLY GLY C . n +C 1 29 VAL 29 29 29 VAL VAL C . n +C 1 30 ALA 30 30 30 ALA ALA C . n +C 1 31 GLU 31 31 31 GLU GLU C . n +C 1 32 TRP 32 32 32 TRP TRP C . n +C 1 33 ILE 33 33 33 ILE ILE C . n +C 1 34 SER 34 34 34 SER SER C . n +C 1 35 SER 35 35 35 SER SER C . n +C 1 36 ASN 36 36 36 ASN ASN C . n +C 1 37 SER 37 37 37 SER SER C . n +C 1 38 ARG 38 38 38 ARG ARG C . n +C 1 39 SER 39 39 39 SER SER C . n +C 1 40 GLN 40 40 40 GLN GLN C . n +C 1 41 ALA 41 41 41 ALA ALA C . n +C 1 42 TYR 42 42 42 TYR TYR C . n +C 1 43 LYS 43 43 43 LYS LYS C . n +C 1 44 VAL 44 44 44 VAL VAL C . n +C 1 45 THR 45 45 45 THR THR C . n +C 1 46 CYS 46 46 46 CYS CYS C . n +C 1 47 SER 47 47 47 SER SER C . n +C 1 48 VAL 48 48 48 VAL VAL C . n +C 1 49 ARG 49 49 49 ARG ARG C . n +C 1 50 GLN 50 50 50 GLN GLN C . n +C 1 51 SER 51 51 51 SER SER C . n +C 1 52 SER 52 52 52 SER SER C . n +C 1 53 ALA 53 53 53 ALA ALA C . n +C 1 54 GLN 54 54 54 GLN GLN C . n +C 1 55 ASN 55 55 55 ASN ASN C . n +C 1 56 ARG 56 56 56 ARG ARG C . n +C 1 57 LYS 57 57 57 LYS LYS C . n +C 1 58 TYR 58 58 58 TYR TYR C . n +C 1 59 THR 59 59 59 THR THR C . n +C 1 60 ILE 60 60 60 ILE ILE C . n +C 1 61 LYS 61 61 61 LYS LYS C . n +C 1 62 VAL 62 62 62 VAL VAL C . n +C 1 63 GLU 63 63 63 GLU GLU C . n +C 1 64 VAL 64 64 64 VAL VAL C . n +C 1 65 PRO 65 65 65 PRO PRO C . n +C 1 66 LYS 66 66 66 LYS LYS C . n +C 1 67 VAL 67 67 67 VAL VAL C . n +C 1 68 ALA 68 68 68 ALA ALA C . n +C 1 69 THR 69 69 69 THR THR C . n +C 1 70 GLN 70 70 70 GLN GLN C . n +C 1 71 THR 71 71 71 THR THR C . n +C 1 72 VAL 72 72 72 VAL VAL C . n +C 1 73 GLY 73 73 73 GLY GLY C . n +C 1 74 GLY 74 74 74 GLY GLY C . n +C 1 75 VAL 75 75 75 VAL VAL C . n +C 1 76 GLU 76 76 76 GLU GLU C . n +C 1 77 LEU 77 77 77 LEU LEU C . n +C 1 78 PRO 78 78 78 PRO PRO C . n +C 1 79 VAL 79 79 79 VAL VAL C . n +C 1 80 ALA 80 80 80 ALA ALA C . n +C 1 81 ALA 81 81 81 ALA ALA C . n +C 1 82 TRP 82 82 82 TRP TRP C . n +C 1 83 ARG 83 83 83 ARG ARG C . n +C 1 84 SER 84 84 84 SER SER C . n +C 1 85 TYR 85 85 85 TYR TYR C . n +C 1 86 LEU 86 86 86 LEU LEU C . n +C 1 87 ASN 87 87 87 ASN ASN C . n +C 1 88 MET 88 88 88 MET MET C . n +C 1 89 GLU 89 89 89 GLU GLU C . n +C 1 90 LEU 90 90 90 LEU LEU C . n +C 1 91 THR 91 91 91 THR THR C . n +C 1 92 ILE 92 92 92 ILE ILE C . n +C 1 93 PRO 93 93 93 PRO PRO C . n +C 1 94 ILE 94 94 94 ILE ILE C . n +C 1 95 PHE 95 95 95 PHE PHE C . n +C 1 96 ALA 96 96 96 ALA ALA C . n +C 1 97 THR 97 97 97 THR THR C . n +C 1 98 ASN 98 98 98 ASN ASN C . n +C 1 99 SER 99 99 99 SER SER C . n +C 1 100 ASP 100 100 100 ASP ASP C . n +C 1 101 CYS 101 101 101 CYS CYS C . n +C 1 102 GLU 102 102 102 GLU GLU C . n +C 1 103 LEU 103 103 103 LEU LEU C . n +C 1 104 ILE 104 104 104 ILE ILE C . n +C 1 105 VAL 105 105 105 VAL VAL C . n +C 1 106 LYS 106 106 106 LYS LYS C . n +C 1 107 ALA 107 107 107 ALA ALA C . n +C 1 108 MET 108 108 108 MET MET C . n +C 1 109 GLN 109 109 109 GLN GLN C . n +C 1 110 GLY 110 110 110 GLY GLY C . n +C 1 111 LEU 111 111 111 LEU LEU C . n +C 1 112 LEU 112 112 112 LEU LEU C . n +C 1 113 LYS 113 113 113 LYS LYS C . n +C 1 114 ASP 114 114 114 ASP ASP C . n +C 1 115 GLY 115 115 115 GLY GLY C . n +C 1 116 ASN 116 116 116 ASN ASN C . n +C 1 117 PRO 117 117 117 PRO PRO C . n +C 1 118 ILE 118 118 118 ILE ILE C . n +C 1 119 PRO 119 119 119 PRO PRO C . n +C 1 120 SER 120 120 120 SER SER C . n +C 1 121 ALA 121 121 121 ALA ALA C . n +C 1 122 ILE 122 122 122 ILE ILE C . n +C 1 123 ALA 123 123 123 ALA ALA C . n +C 1 124 ALA 124 124 124 ALA ALA C . n +C 1 125 ASN 125 125 125 ASN ASN C . n +C 1 126 SER 126 126 126 SER SER C . n +C 1 127 GLY 127 127 127 GLY GLY C . n +C 1 128 ILE 128 128 128 ILE ILE C . n +C 1 129 TYR 129 129 129 TYR TYR C . n +D 2 1 A 1 1 ? ? ? R . n +D 2 2 C 2 2 ? ? ? R . n +D 2 3 A 3 3 3 A A R . n +D 2 4 U 4 4 4 U U R . n +D 2 5 G 5 5 5 G G R . n +D 2 6 A 6 6 6 A A R . n +D 2 7 G 7 7 7 G G R . n +D 2 8 G 8 8 8 G G R . n +D 2 9 A 9 9 9 A A R . n +D 2 10 U 10 10 10 U U R . n +D 2 11 ONE 11 11 11 ONE ONE R . n +D 2 12 A 12 12 12 A A R . n +D 2 13 C 13 13 13 C C R . n +D 2 14 C 14 14 14 C C R . n +D 2 15 C 15 15 15 C C R . n +D 2 16 A 16 16 16 A A R . n +D 2 17 U 17 17 17 U U R . n +D 2 18 G 18 18 ? ? ? R . n +D 2 19 U 19 19 ? ? ? R . n +E 2 1 A 1 1 ? ? ? S . n +E 2 2 C 2 2 ? ? ? S . n +E 2 3 A 3 3 3 A A S . n +E 2 4 U 4 4 4 U U S . n +E 2 5 G 5 5 5 G G S . n +E 2 6 A 6 6 6 A A S . n +E 2 7 G 7 7 7 G G S . n +E 2 8 G 8 8 8 G G S . n +E 2 9 A 9 9 9 A A S . n +E 2 10 U 10 10 10 U U S . n +E 2 11 ONE 11 11 11 ONE ONE S . n +E 2 12 A 12 12 12 A A S . n +E 2 13 C 13 13 13 C C S . n +E 2 14 C 14 14 14 C C S . n +E 2 15 C 15 15 15 C C S . n +E 2 16 A 16 16 16 A A S . n +E 2 17 U 17 17 17 U U S . n +E 2 18 G 18 18 ? ? ? S . n +E 2 19 U 19 19 ? ? ? S . 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 +F 3 HOH 1 2001 2001 HOH HOH A . +F 3 HOH 2 2002 2002 HOH HOH A . +F 3 HOH 3 2003 2003 HOH HOH A . +F 3 HOH 4 2004 2004 HOH HOH A . +F 3 HOH 5 2005 2005 HOH HOH A . +F 3 HOH 6 2006 2006 HOH HOH A . +F 3 HOH 7 2007 2007 HOH HOH A . +F 3 HOH 8 2008 2008 HOH HOH A . +F 3 HOH 9 2009 2009 HOH HOH A . +F 3 HOH 10 2010 2010 HOH HOH A . +F 3 HOH 11 2011 2011 HOH HOH A . +F 3 HOH 12 2012 2012 HOH HOH A . +F 3 HOH 13 2013 2013 HOH HOH A . +F 3 HOH 14 2014 2014 HOH HOH A . +F 3 HOH 15 2015 2015 HOH HOH A . +F 3 HOH 16 2016 2016 HOH HOH A . +F 3 HOH 17 2017 2017 HOH HOH A . +F 3 HOH 18 2018 2018 HOH HOH A . +F 3 HOH 19 2019 2019 HOH HOH A . +F 3 HOH 20 2020 2020 HOH HOH A . +F 3 HOH 21 2021 2021 HOH HOH A . +F 3 HOH 22 2022 2022 HOH HOH A . +F 3 HOH 23 2023 2023 HOH HOH A . +F 3 HOH 24 2024 2024 HOH HOH A . +F 3 HOH 25 2025 2025 HOH HOH A . +F 3 HOH 26 2026 2026 HOH HOH A . +F 3 HOH 27 2027 2027 HOH HOH A . +F 3 HOH 28 2028 2028 HOH HOH A . +F 3 HOH 29 2029 2029 HOH HOH A . +F 3 HOH 30 2030 2030 HOH HOH A . +F 3 HOH 31 2031 2031 HOH HOH A . +F 3 HOH 32 2032 2032 HOH HOH A . +F 3 HOH 33 2033 2033 HOH HOH A . +F 3 HOH 34 2034 2034 HOH HOH A . +F 3 HOH 35 2035 2035 HOH HOH A . +F 3 HOH 36 2036 2036 HOH HOH A . +F 3 HOH 37 2037 2037 HOH HOH A . +F 3 HOH 38 2038 2038 HOH HOH A . +F 3 HOH 39 2039 2039 HOH HOH A . +F 3 HOH 40 2040 2040 HOH HOH A . +F 3 HOH 41 2041 2041 HOH HOH A . +F 3 HOH 42 2042 2042 HOH HOH A . +F 3 HOH 43 2043 2043 HOH HOH A . +F 3 HOH 44 2044 2044 HOH HOH A . +F 3 HOH 45 2045 2045 HOH HOH A . +F 3 HOH 46 2046 2046 HOH HOH A . +G 3 HOH 1 2001 2001 HOH HOH B . +G 3 HOH 2 2002 2002 HOH HOH B . +G 3 HOH 3 2003 2003 HOH HOH B . +G 3 HOH 4 2004 2004 HOH HOH B . +G 3 HOH 5 2005 2005 HOH HOH B . +G 3 HOH 6 2006 2006 HOH HOH B . +G 3 HOH 7 2007 2007 HOH HOH B . +G 3 HOH 8 2008 2008 HOH HOH B . +G 3 HOH 9 2009 2009 HOH HOH B . +G 3 HOH 10 2010 2010 HOH HOH B . +G 3 HOH 11 2011 2011 HOH HOH B . +G 3 HOH 12 2012 2012 HOH HOH B . +G 3 HOH 13 2013 2013 HOH HOH B . +G 3 HOH 14 2014 2014 HOH HOH B . +G 3 HOH 15 2015 2015 HOH HOH B . +G 3 HOH 16 2016 2016 HOH HOH B . +G 3 HOH 17 2017 2017 HOH HOH B . +G 3 HOH 18 2018 2018 HOH HOH B . +G 3 HOH 19 2019 2019 HOH HOH B . +G 3 HOH 20 2020 2020 HOH HOH B . +G 3 HOH 21 2021 2021 HOH HOH B . +G 3 HOH 22 2022 2022 HOH HOH B . +G 3 HOH 23 2023 2023 HOH HOH B . +G 3 HOH 24 2024 2024 HOH HOH B . +G 3 HOH 25 2025 2025 HOH HOH B . +G 3 HOH 26 2026 2026 HOH HOH B . +G 3 HOH 27 2027 2027 HOH HOH B . +G 3 HOH 28 2028 2028 HOH HOH B . +G 3 HOH 29 2029 2029 HOH HOH B . +G 3 HOH 30 2030 2030 HOH HOH B . +G 3 HOH 31 2031 2031 HOH HOH B . +G 3 HOH 32 2032 2032 HOH HOH B . +G 3 HOH 33 2033 2033 HOH HOH B . +G 3 HOH 34 2034 2034 HOH HOH B . +G 3 HOH 35 2035 2035 HOH HOH B . +G 3 HOH 36 2036 2036 HOH HOH B . +G 3 HOH 37 2037 2037 HOH HOH B . +G 3 HOH 38 2038 2038 HOH HOH B . +G 3 HOH 39 2039 2039 HOH HOH B . +G 3 HOH 40 2040 2040 HOH HOH B . +G 3 HOH 41 2041 2041 HOH HOH B . +G 3 HOH 42 2042 2042 HOH HOH B . +G 3 HOH 43 2043 2043 HOH HOH B . +G 3 HOH 44 2044 2044 HOH HOH B . +G 3 HOH 45 2045 2045 HOH HOH B . +G 3 HOH 46 2046 2046 HOH HOH B . +G 3 HOH 47 2047 2047 HOH HOH B . +G 3 HOH 48 2048 2048 HOH HOH B . +G 3 HOH 49 2049 2049 HOH HOH B . +G 3 HOH 50 2050 2050 HOH HOH B . +G 3 HOH 51 2051 2051 HOH HOH B . +G 3 HOH 52 2052 2052 HOH HOH B . +G 3 HOH 53 2053 2053 HOH HOH B . +G 3 HOH 54 2054 2054 HOH HOH B . +G 3 HOH 55 2055 2055 HOH HOH B . +G 3 HOH 56 2056 2056 HOH HOH B . +G 3 HOH 57 2057 2057 HOH HOH B . +G 3 HOH 58 2058 2058 HOH HOH B . +G 3 HOH 59 2059 2059 HOH HOH B . +G 3 HOH 60 2060 2060 HOH HOH B . +G 3 HOH 61 2061 2061 HOH HOH B . +G 3 HOH 62 2062 2062 HOH HOH B . +G 3 HOH 63 2063 2063 HOH HOH B . +G 3 HOH 64 2064 2064 HOH HOH B . +G 3 HOH 65 2065 2065 HOH HOH B . +G 3 HOH 66 2066 2066 HOH HOH B . +G 3 HOH 67 2067 2067 HOH HOH B . +G 3 HOH 68 2068 2068 HOH HOH B . +G 3 HOH 69 2069 2069 HOH HOH B . +H 3 HOH 1 2001 2001 HOH HOH C . +H 3 HOH 2 2002 2002 HOH HOH C . +H 3 HOH 3 2003 2003 HOH HOH C . +H 3 HOH 4 2004 2004 HOH HOH C . +H 3 HOH 5 2005 2005 HOH HOH C . +H 3 HOH 6 2006 2006 HOH HOH C . +H 3 HOH 7 2007 2007 HOH HOH C . +H 3 HOH 8 2008 2008 HOH HOH C . +H 3 HOH 9 2009 2009 HOH HOH C . +H 3 HOH 10 2010 2010 HOH HOH C . +H 3 HOH 11 2011 2011 HOH HOH C . +H 3 HOH 12 2012 2012 HOH HOH C . +H 3 HOH 13 2013 2013 HOH HOH C . +H 3 HOH 14 2014 2014 HOH HOH C . +H 3 HOH 15 2015 2015 HOH HOH C . +H 3 HOH 16 2016 2016 HOH HOH C . +H 3 HOH 17 2017 2017 HOH HOH C . +H 3 HOH 18 2018 2018 HOH HOH C . +H 3 HOH 19 2019 2019 HOH HOH C . +H 3 HOH 20 2020 2020 HOH HOH C . +H 3 HOH 21 2021 2021 HOH HOH C . +H 3 HOH 22 2022 2022 HOH HOH C . +H 3 HOH 23 2023 2023 HOH HOH C . +H 3 HOH 24 2024 2024 HOH HOH C . +H 3 HOH 25 2025 2025 HOH HOH C . +H 3 HOH 26 2026 2026 HOH HOH C . +H 3 HOH 27 2027 2027 HOH HOH C . +H 3 HOH 28 2028 2028 HOH HOH C . +H 3 HOH 29 2029 2029 HOH HOH C . +H 3 HOH 30 2030 2030 HOH HOH C . +H 3 HOH 31 2031 2031 HOH HOH C . +H 3 HOH 32 2032 2032 HOH HOH C . +H 3 HOH 33 2033 2033 HOH HOH C . +H 3 HOH 34 2034 2034 HOH HOH C . +H 3 HOH 35 2035 2035 HOH HOH C . +H 3 HOH 36 2036 2036 HOH HOH C . +H 3 HOH 37 2037 2037 HOH HOH C . +H 3 HOH 38 2038 2038 HOH HOH C . +H 3 HOH 39 2039 2039 HOH HOH C . +H 3 HOH 40 2040 2040 HOH HOH C . +I 3 HOH 1 2001 2001 HOH HOH R . +# +loop_ +_pdbx_unobs_or_zero_occ_atoms.id +_pdbx_unobs_or_zero_occ_atoms.PDB_model_num +_pdbx_unobs_or_zero_occ_atoms.polymer_flag +_pdbx_unobs_or_zero_occ_atoms.occupancy_flag +_pdbx_unobs_or_zero_occ_atoms.auth_asym_id +_pdbx_unobs_or_zero_occ_atoms.auth_comp_id +_pdbx_unobs_or_zero_occ_atoms.auth_seq_id +_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code +_pdbx_unobs_or_zero_occ_atoms.auth_atom_id +_pdbx_unobs_or_zero_occ_atoms.label_alt_id +_pdbx_unobs_or_zero_occ_atoms.label_asym_id +_pdbx_unobs_or_zero_occ_atoms.label_comp_id +_pdbx_unobs_or_zero_occ_atoms.label_seq_id +_pdbx_unobs_or_zero_occ_atoms.label_atom_id +1 1 Y 1 R A 3 ? P ? D A 3 P +2 1 Y 1 R A 3 ? OP1 ? D A 3 OP1 +3 1 Y 1 R A 3 ? OP2 ? D A 3 OP2 +4 1 Y 1 S A 3 ? P ? E A 3 P +5 1 Y 1 S A 3 ? OP1 ? E A 3 OP1 +6 1 Y 1 S A 3 ? OP2 ? E A 3 OP2 +# +loop_ +_software.name +_software.classification +_software.version +_software.citation_id +_software.pdbx_ordinal +CNS refinement 1.0 ? 1 +DENZO 'data reduction' . ? 2 +SCALEPACK 'data scaling' . ? 3 +CNS phasing . ? 4 +# +_cell.entry_id 2IZ9 +_cell.length_a 288.000 +_cell.length_b 288.000 +_cell.length_c 653.000 +_cell.angle_alpha 90.00 +_cell.angle_beta 90.00 +_cell.angle_gamma 120.00 +_cell.Z_PDB 540 +_cell.pdbx_unique_axis ? +# +_symmetry.entry_id 2IZ9 +_symmetry.space_group_name_H-M 'H 3 2' +_symmetry.pdbx_full_space_group_name_H-M ? +_symmetry.cell_setting ? +_symmetry.Int_Tables_number 155 +# +_exptl.entry_id 2IZ9 +_exptl.method 'X-RAY DIFFRACTION' +_exptl.crystals_number 4 +# +_exptl_crystal.id 1 +_exptl_crystal.density_meas ? +_exptl_crystal.density_Matthews ? +_exptl_crystal.density_percent_sol ? +_exptl_crystal.description ? +# +_exptl_crystal_grow.crystal_id 1 +_exptl_crystal_grow.method ? +_exptl_crystal_grow.temp ? +_exptl_crystal_grow.temp_details ? +_exptl_crystal_grow.pH 7.40 +_exptl_crystal_grow.pdbx_pH_range ? +_exptl_crystal_grow.pdbx_details 'pH 7.40' +# +_diffrn.id 1 +_diffrn.ambient_temp 287.0 +_diffrn.ambient_temp_details ? +_diffrn.crystal_id 1 +# +_diffrn_detector.diffrn_id 1 +_diffrn_detector.detector 'IMAGE PLATE' +_diffrn_detector.type MARRESEARCH +_diffrn_detector.pdbx_collection_date 1997-12-09 +_diffrn_detector.details ? +# +_diffrn_radiation.diffrn_id 1 +_diffrn_radiation.wavelength_id 1 +_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M +_diffrn_radiation.monochromator ? +_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' +_diffrn_radiation.pdbx_scattering_type x-ray +# +_diffrn_radiation_wavelength.id 1 +_diffrn_radiation_wavelength.wavelength 0.927 +_diffrn_radiation_wavelength.wt 1.0 +# +_diffrn_source.diffrn_id 1 +_diffrn_source.source SYNCHROTRON +_diffrn_source.type 'MAX II BEAMLINE I711' +_diffrn_source.pdbx_synchrotron_site 'MAX II' +_diffrn_source.pdbx_synchrotron_beamline I711 +_diffrn_source.pdbx_wavelength 0.927 +_diffrn_source.pdbx_wavelength_list ? +# +_reflns.pdbx_diffrn_id 1 +_reflns.pdbx_ordinal 1 +_reflns.entry_id 2IZ9 +_reflns.observed_criterion_sigma_I 0.000 +_reflns.observed_criterion_sigma_F ? +_reflns.d_resolution_low 40.000 +_reflns.d_resolution_high 2.850 +_reflns.number_obs 161000 +_reflns.number_all ? +_reflns.percent_possible_obs 67.0 +_reflns.pdbx_Rmerge_I_obs 0.13000 +_reflns.pdbx_Rsym_value ? +_reflns.pdbx_netI_over_sigmaI ? +_reflns.B_iso_Wilson_estimate 59.8 +_reflns.pdbx_redundancy 2.700 +# +_reflns_shell.pdbx_diffrn_id 1 +_reflns_shell.pdbx_ordinal 1 +_reflns_shell.d_res_high 2.85 +_reflns_shell.d_res_low 2.95 +_reflns_shell.percent_possible_all 34.0 +_reflns_shell.Rmerge_I_obs 0.36000 +_reflns_shell.pdbx_Rsym_value ? +_reflns_shell.meanI_over_sigI_obs ? +_reflns_shell.pdbx_redundancy 1.50 +# +_refine.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine.entry_id 2IZ9 +_refine.pdbx_diffrn_id 1 +_refine.pdbx_TLS_residual_ADP_flag ? +_refine.ls_number_reflns_obs 160971 +_refine.ls_number_reflns_all ? +_refine.pdbx_ls_sigma_I ? +_refine.pdbx_ls_sigma_F 0.0 +_refine.pdbx_data_cutoff_high_absF ? +_refine.pdbx_data_cutoff_low_absF ? +_refine.pdbx_data_cutoff_high_rms_absF ? +_refine.ls_d_res_low 40.00 +_refine.ls_d_res_high 2.85 +_refine.ls_percent_reflns_obs 66.8 +_refine.ls_R_factor_obs 0.200 +_refine.ls_R_factor_all ? +_refine.ls_R_factor_R_work 0.200 +_refine.ls_R_factor_R_free 0.220 +_refine.ls_R_factor_R_free_error 0.017 +_refine.ls_R_factor_R_free_error_details ? +_refine.ls_percent_reflns_R_free 0.1 +_refine.ls_number_reflns_R_free 175 +_refine.ls_number_parameters ? +_refine.ls_number_restraints ? +_refine.occupancy_min ? +_refine.occupancy_max ? +_refine.correlation_coeff_Fo_to_Fc ? +_refine.correlation_coeff_Fo_to_Fc_free ? +_refine.B_iso_mean 33.2 +_refine.aniso_B[1][1] 0.00 +_refine.aniso_B[2][2] 0.00 +_refine.aniso_B[3][3] 0.00 +_refine.aniso_B[1][2] 0.00 +_refine.aniso_B[1][3] 0.00 +_refine.aniso_B[2][3] 0.00 +_refine.solvent_model_details 'FLAT MODEL' +_refine.solvent_model_param_ksol 0.298896 +_refine.solvent_model_param_bsol 32.5886 +_refine.pdbx_solvent_vdw_probe_radii ? +_refine.pdbx_solvent_ion_probe_radii ? +_refine.pdbx_solvent_shrinkage_radii ? +_refine.pdbx_ls_cross_valid_method THROUGHOUT +_refine.details ? +_refine.pdbx_starting_model 'MS2 RECOMBINANT CAPSIDS' +_refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' +_refine.pdbx_isotropic_thermal_model RESTRAINED +_refine.pdbx_stereochemistry_target_values ? +_refine.pdbx_stereochem_target_val_spec_case ? +_refine.pdbx_R_Free_selection_details RANDOM +_refine.pdbx_overall_ESU_R ? +_refine.pdbx_overall_ESU_R_Free ? +_refine.overall_SU_ML ? +_refine.pdbx_overall_phase_error ? +_refine.overall_SU_B ? +_refine.overall_SU_R_Cruickshank_DPI ? +_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? +_refine.pdbx_overall_SU_R_Blow_DPI ? +_refine.pdbx_overall_SU_R_free_Blow_DPI ? +# +_refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_analyze.entry_id 2IZ9 +_refine_analyze.Luzzati_coordinate_error_obs 0.32 +_refine_analyze.Luzzati_sigma_a_obs 0.35 +_refine_analyze.Luzzati_d_res_low_obs 6.00 +_refine_analyze.Luzzati_coordinate_error_free 0.29 +_refine_analyze.Luzzati_sigma_a_free 0.17 +_refine_analyze.Luzzati_d_res_low_free ? +_refine_analyze.number_disordered_residues ? +_refine_analyze.occupancy_sum_hydrogen ? +_refine_analyze.occupancy_sum_non_hydrogen ? +# +_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_hist.cycle_id LAST +_refine_hist.pdbx_number_atoms_protein 2895 +_refine_hist.pdbx_number_atoms_nucleic_acid 630 +_refine_hist.pdbx_number_atoms_ligand 0 +_refine_hist.number_atoms_solvent 156 +_refine_hist.number_atoms_total 3681 +_refine_hist.d_res_high 2.85 +_refine_hist.d_res_low 40.00 +# +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 +c_bond_d 0.007 ? ? ? 'X-RAY DIFFRACTION' ? +c_bond_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? +c_bond_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? +c_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ? +c_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? +c_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? +c_angle_deg 1.4 ? ? ? 'X-RAY DIFFRACTION' ? +c_angle_deg_na ? ? ? ? 'X-RAY DIFFRACTION' ? +c_angle_deg_prot ? ? ? ? 'X-RAY DIFFRACTION' ? +c_dihedral_angle_d 24.2 ? ? ? 'X-RAY DIFFRACTION' ? +c_dihedral_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? +c_dihedral_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? +c_improper_angle_d 1.06 ? ? ? 'X-RAY DIFFRACTION' ? +c_improper_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? +c_improper_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? +c_mcbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? +c_mcangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? +c_scbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? +c_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? +# +_refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_ls_shell.pdbx_total_number_of_bins_used 20 +_refine_ls_shell.d_res_high 2.85 +_refine_ls_shell.d_res_low 2.90 +_refine_ls_shell.number_reflns_R_work 3840 +_refine_ls_shell.R_factor_R_work 0.324 +_refine_ls_shell.percent_reflns_obs 32.2 +_refine_ls_shell.R_factor_R_free 0.300 +_refine_ls_shell.R_factor_R_free_error 0.122 +_refine_ls_shell.percent_reflns_R_free 0.2 +_refine_ls_shell.number_reflns_R_free 6 +_refine_ls_shell.number_reflns_all ? +_refine_ls_shell.R_factor_all ? +# +loop_ +_pdbx_xplor_file.pdbx_refine_id +_pdbx_xplor_file.serial_no +_pdbx_xplor_file.param_file +_pdbx_xplor_file.topol_file +'X-RAY DIFFRACTION' 1 PROTEIN_REP.PARAM PROTEIN.TOP +'X-RAY DIFFRACTION' 2 DNA-RNA-4O DNA-RNA-4O +'X-RAY DIFFRACTION' 3 WATER_REP. WATER.TOP +# +loop_ +_struct_ncs_oper.id +_struct_ncs_oper.code +_struct_ncs_oper.details +_struct_ncs_oper.matrix[1][1] +_struct_ncs_oper.matrix[1][2] +_struct_ncs_oper.matrix[1][3] +_struct_ncs_oper.matrix[2][1] +_struct_ncs_oper.matrix[2][2] +_struct_ncs_oper.matrix[2][3] +_struct_ncs_oper.matrix[3][1] +_struct_ncs_oper.matrix[3][2] +_struct_ncs_oper.matrix[3][3] +_struct_ncs_oper.vector[1] +_struct_ncs_oper.vector[2] +_struct_ncs_oper.vector[3] +1 given ? 1.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 1.000000 0.00000 0.00000 0.00000 +2 generate ? 0.500000 0.866025 0.000000 -0.645497 0.372678 0.666667 0.577350 -0.333333 0.745356 0.00000 0.00000 0.00000 +3 generate ? -0.309017 0.755761 0.577350 -0.178411 -0.642350 0.745356 0.934172 0.127322 0.333333 0.00000 0.00000 0.00000 +4 generate ? -0.309017 -0.178411 0.934172 0.755761 -0.642350 0.127322 0.577350 0.745356 0.333333 0.00000 0.00000 0.00000 +5 generate ? 0.500000 -0.645497 0.577350 0.866025 0.372678 -0.333333 0.000000 0.666667 0.745356 0.00000 0.00000 0.00000 +6 generate ? 0.309017 0.755761 0.577350 0.755761 -0.563661 0.333333 0.577350 0.333333 -0.745356 0.00000 0.00000 0.00000 +7 generate ? 0.000000 0.356822 0.934172 0.934172 0.333333 -0.127322 -0.356822 0.872678 -0.333333 0.00000 0.00000 0.00000 +8 generate ? 0.309017 -0.178411 0.934172 0.178411 0.975684 0.127322 -0.934172 0.127322 0.333333 0.00000 0.00000 0.00000 +9 generate ? 0.809017 -0.110264 0.577350 -0.467086 0.475684 0.745356 -0.356822 -0.872678 0.333333 0.00000 0.00000 0.00000 +10 generate ? 0.809017 0.467086 0.356822 -0.110264 -0.475684 0.872678 0.577350 -0.745356 -0.333333 0.00000 0.00000 0.00000 +# +_database_PDB_matrix.entry_id 2IZ9 +_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 2IZ9 +_struct.title 'MS2-RNA HAIRPIN (4ONE -5) COMPLEX' +_struct.pdbx_model_details ? +_struct.pdbx_CASP_flag ? +_struct.pdbx_model_type_details ? +# +_struct_keywords.entry_id 2IZ9 +_struct_keywords.pdbx_keywords VIRUS/RNA +_struct_keywords.text +'VIRUS/RNA, HAIRPIN, CAPSID, LEVIVIRUS, VIRUS, COMPLEX (CAPSID PROTEIN-RNA HAIRPIN), VIRUS-RNA complex' +# +loop_ +_struct_asym.id +_struct_asym.pdbx_blank_PDB_chainid_flag +_struct_asym.pdbx_modified +_struct_asym.entity_id +_struct_asym.details +A N N 1 ? +B N N 1 ? +C N N 1 ? +D N N 2 ? +E N N 2 ? +F N N 3 ? +G N N 3 ? +H N N 3 ? +I N N 3 ? +# +loop_ +_struct_ref.id +_struct_ref.db_name +_struct_ref.db_code +_struct_ref.entity_id +_struct_ref.pdbx_seq_one_letter_code +_struct_ref.pdbx_align_begin +_struct_ref.pdbx_db_accession +_struct_ref.pdbx_db_isoform +1 UNP COAT_BPMS2 1 ? ? P03612 ? +2 PDB 2IZ9 2 ? ? 2IZ9 ? +# +loop_ +_struct_ref_seq.align_id +_struct_ref_seq.ref_id +_struct_ref_seq.pdbx_PDB_id_code +_struct_ref_seq.pdbx_strand_id +_struct_ref_seq.seq_align_beg +_struct_ref_seq.pdbx_seq_align_beg_ins_code +_struct_ref_seq.seq_align_end +_struct_ref_seq.pdbx_seq_align_end_ins_code +_struct_ref_seq.pdbx_db_accession +_struct_ref_seq.db_align_beg +_struct_ref_seq.pdbx_db_align_beg_ins_code +_struct_ref_seq.db_align_end +_struct_ref_seq.pdbx_db_align_end_ins_code +_struct_ref_seq.pdbx_auth_seq_align_beg +_struct_ref_seq.pdbx_auth_seq_align_end +1 1 2IZ9 A 1 ? 129 ? P03612 1 ? 129 ? 1 129 +2 1 2IZ9 B 1 ? 129 ? P03612 1 ? 129 ? 1 129 +3 1 2IZ9 C 1 ? 129 ? P03612 1 ? 129 ? 1 129 +4 2 2IZ9 R 1 ? 19 ? 2IZ9 1 ? 19 ? 1 19 +5 2 2IZ9 S 1 ? 19 ? 2IZ9 1 ? 19 ? 1 19 +# +loop_ +_pdbx_struct_assembly.id +_pdbx_struct_assembly.details +_pdbx_struct_assembly.method_details +_pdbx_struct_assembly.oligomeric_details +_pdbx_struct_assembly.oligomeric_count +1 'complete icosahedral assembly' ? 300-MERIC 300 +2 'icosahedral asymmetric unit' ? pentameric 5 +3 'icosahedral pentamer' ? 25-meric 25 +4 'icosahedral 23 hexamer' ? 30-meric 30 +5 'icosahedral asymmetric unit, std point frame' ? pentameric 5 +6 'crystal asymmetric unit, crystal frame' ? 50-meric 50 +# +loop_ +_pdbx_struct_assembly_gen.assembly_id +_pdbx_struct_assembly_gen.oper_expression +_pdbx_struct_assembly_gen.asym_id_list +1 '(1-60)' A,B,C,D,E,F,G,H,I +2 1 A,B,C,D,E,F,G,H,I +3 '(1-5)' A,B,C,D,E,F,G,H,I +4 '(1,2,6,10,23,24)' A,B,C,D,E,F,G,H,I +5 P A,B,C,D,E,F,G,H,I +6 '(X0)(1-10)' A,B,C,D,E,F,G,H,I +# +loop_ +_pdbx_struct_oper_list.id +_pdbx_struct_oper_list.type +_pdbx_struct_oper_list.name +_pdbx_struct_oper_list.symmetry_operation +_pdbx_struct_oper_list.matrix[1][1] +_pdbx_struct_oper_list.matrix[1][2] +_pdbx_struct_oper_list.matrix[1][3] +_pdbx_struct_oper_list.vector[1] +_pdbx_struct_oper_list.matrix[2][1] +_pdbx_struct_oper_list.matrix[2][2] +_pdbx_struct_oper_list.matrix[2][3] +_pdbx_struct_oper_list.vector[2] +_pdbx_struct_oper_list.matrix[3][1] +_pdbx_struct_oper_list.matrix[3][2] +_pdbx_struct_oper_list.matrix[3][3] +_pdbx_struct_oper_list.vector[3] +P 'transform to point frame' ? ? -0.50000000 0.86602540 0.00000000 0.00000 0.30901699 0.17841104 -0.93417236 0.00000 +-0.80901699 -0.46708618 -0.35682209 0.00000 +X0 'identity operation' 1_555 x,y,z 1.00000000 0.00000000 0.00000000 0.00000 0.00000000 1.00000000 0.00000000 0.00000 +0.00000000 0.00000000 1.00000000 0.00000 +1 'identity operation' 1_555 x,y,z 1.00000000 0.00000000 0.00000000 0.00000 0.00000000 1.00000000 0.00000000 0.00000 +0.00000000 0.00000000 1.00000000 0.00000 +2 'point symmetry operation' ? ? 0.50000000 0.86602540 0.00000000 0.00000 -0.64549722 0.37267800 0.66666667 0.00000 +0.57735027 -0.33333333 0.74535599 0.00000 +3 'point symmetry operation' ? ? -0.30901699 0.75576131 0.57735027 0.00000 -0.17841104 -0.64235033 0.74535599 0.00000 +0.93417236 0.12732200 0.33333333 0.00000 +4 'point symmetry operation' ? ? -0.30901699 -0.17841104 0.93417236 0.00000 0.75576131 -0.64235033 0.12732200 0.00000 +0.57735027 0.74535599 0.33333333 0.00000 +5 'point symmetry operation' ? ? 0.50000000 -0.64549722 0.57735027 0.00000 0.86602540 0.37267800 -0.33333333 0.00000 +0.00000000 0.66666667 0.74535599 0.00000 +6 'point symmetry operation' ? ? 0.30901699 0.75576131 0.57735027 0.00000 0.75576131 -0.56366100 0.33333333 0.00000 +0.57735027 0.33333333 -0.74535599 0.00000 +7 'point symmetry operation' ? ? 0.00000000 0.35682209 0.93417236 0.00000 0.93417236 0.33333333 -0.12732200 0.00000 +-0.35682209 0.87267800 -0.33333333 0.00000 +8 'point symmetry operation' ? ? 0.30901699 -0.17841104 0.93417236 0.00000 0.17841104 0.97568366 0.12732200 0.00000 +-0.93417236 0.12732200 0.33333333 0.00000 +9 'point symmetry operation' ? ? 0.80901699 -0.11026409 0.57735027 0.00000 -0.46708618 0.47568366 0.74535599 0.00000 +-0.35682209 -0.87267800 0.33333333 0.00000 +10 'point symmetry operation' ? ? 0.80901699 0.46708618 0.35682209 0.00000 -0.11026409 -0.47568366 0.87267800 0.00000 +0.57735027 -0.74535599 -0.33333333 0.00000 +11 'point symmetry operation' ? ? -0.80901699 0.11026409 -0.57735027 0.00000 0.11026409 -0.93633900 -0.33333333 0.00000 +-0.57735027 -0.33333333 0.74535599 0.00000 +12 'point symmetry operation' ? ? -0.80901699 -0.46708618 -0.35682209 0.00000 0.46708618 -0.14235033 -0.87267800 0.00000 +0.35682209 -0.87267800 0.33333333 0.00000 +13 'point symmetry operation' ? ? -0.30901699 -0.75576131 -0.57735027 0.00000 -0.17841104 0.64235033 -0.74535599 0.00000 +0.93417236 -0.12732200 -0.33333333 0.00000 +14 'point symmetry operation' ? ? 0.00000000 -0.35682209 -0.93417236 0.00000 -0.93417236 0.33333333 -0.12732200 0.00000 +0.35682209 0.87267800 -0.33333333 0.00000 +15 'point symmetry operation' ? ? -0.30901699 0.17841104 -0.93417236 0.00000 -0.75576131 -0.64235033 0.12732200 0.00000 +-0.57735027 0.74535599 0.33333333 0.00000 +16 'point symmetry operation' ? ? -0.50000000 -0.86602540 0.00000000 0.00000 -0.86602540 0.50000000 0.00000000 0.00000 +0.00000000 0.00000000 -1.00000000 0.00000 +17 'point symmetry operation' ? ? 0.30901699 -0.75576131 -0.57735027 0.00000 -0.75576131 -0.56366100 0.33333333 0.00000 +-0.57735027 0.33333333 -0.74535599 0.00000 +18 'point symmetry operation' ? ? 0.30901699 0.17841104 -0.93417236 0.00000 0.17841104 -0.97568366 -0.12732200 0.00000 +-0.93417236 -0.12732200 -0.33333333 0.00000 +19 'point symmetry operation' ? ? -0.50000000 0.64549722 -0.57735027 0.00000 0.64549722 -0.16666667 -0.74535599 0.00000 +-0.57735027 -0.74535599 -0.33333333 0.00000 +20 'point symmetry operation' ? ? -1.00000000 0.00000000 0.00000000 0.00000 0.00000000 0.74535599 -0.66666667 0.00000 +0.00000000 -0.66666667 -0.74535599 0.00000 +21 'point symmetry operation' ? ? 0.00000000 0.35682209 0.93417236 0.00000 -0.93417236 -0.33333333 0.12732200 0.00000 +0.35682209 -0.87267800 0.33333333 0.00000 +22 'point symmetry operation' ? ? 0.30901699 -0.17841104 0.93417236 0.00000 -0.17841104 -0.97568366 -0.12732200 0.00000 +0.93417236 -0.12732200 -0.33333333 0.00000 +23 'point symmetry operation' ? ? 0.80901699 -0.11026409 0.57735027 0.00000 0.46708618 -0.47568366 -0.74535599 0.00000 +0.35682209 0.87267800 -0.33333333 0.00000 +24 'point symmetry operation' ? ? 0.80901699 0.46708618 0.35682209 0.00000 0.11026409 0.47568366 -0.87267800 0.00000 +-0.57735027 0.74535599 0.33333333 0.00000 +25 'point symmetry operation' ? ? 0.30901699 0.75576131 0.57735027 0.00000 -0.75576131 0.56366100 -0.33333333 0.00000 +-0.57735027 -0.33333333 0.74535599 0.00000 +26 'point symmetry operation' ? ? 0.80901699 0.11026409 -0.57735027 0.00000 -0.46708618 -0.47568366 -0.74535599 0.00000 +-0.35682209 0.87267800 -0.33333333 0.00000 +27 'point symmetry operation' ? ? 0.00000000 0.93417236 -0.35682209 0.00000 -0.35682209 -0.33333333 -0.87267800 0.00000 +-0.93417236 0.12732200 0.33333333 0.00000 +28 'point symmetry operation' ? ? -0.80901699 0.46708618 0.35682209 0.00000 -0.46708618 -0.14235033 -0.87267800 0.00000 +-0.35682209 -0.87267800 0.33333333 0.00000 +29 'point symmetry operation' ? ? -0.50000000 -0.64549722 0.57735027 0.00000 -0.64549722 -0.16666667 -0.74535599 0.00000 +0.57735027 -0.74535599 -0.33333333 0.00000 +30 'point symmetry operation' ? ? 0.50000000 -0.86602540 0.00000000 0.00000 -0.64549722 -0.37267800 -0.66666667 0.00000 +0.57735027 0.33333333 -0.74535599 0.00000 +31 'point symmetry operation' ? ? -0.50000000 -0.64549722 0.57735027 0.00000 0.64549722 0.16666667 0.74535599 0.00000 +-0.57735027 0.74535599 0.33333333 0.00000 +32 'point symmetry operation' ? ? 0.50000000 -0.86602540 0.00000000 0.00000 0.64549722 0.37267800 0.66666667 0.00000 +-0.57735027 -0.33333333 0.74535599 0.00000 +33 'point symmetry operation' ? ? 0.80901699 0.11026409 -0.57735027 0.00000 0.46708618 0.47568366 0.74535599 0.00000 +0.35682209 -0.87267800 0.33333333 0.00000 +34 'point symmetry operation' ? ? 0.00000000 0.93417236 -0.35682209 0.00000 0.35682209 0.33333333 0.87267800 0.00000 +0.93417236 -0.12732200 -0.33333333 0.00000 +35 'point symmetry operation' ? ? -0.80901699 0.46708618 0.35682209 0.00000 0.46708618 0.14235033 0.87267800 0.00000 +0.35682209 0.87267800 -0.33333333 0.00000 +36 'point symmetry operation' ? ? -0.30901699 0.17841104 -0.93417236 0.00000 0.75576131 0.64235033 -0.12732200 0.00000 +0.57735027 -0.74535599 -0.33333333 0.00000 +37 'point symmetry operation' ? ? -0.80901699 0.11026409 -0.57735027 0.00000 -0.11026409 0.93633900 0.33333333 0.00000 +0.57735027 0.33333333 -0.74535599 0.00000 +38 'point symmetry operation' ? ? -0.80901699 -0.46708618 -0.35682209 0.00000 -0.46708618 0.14235033 0.87267800 0.00000 +-0.35682209 0.87267800 -0.33333333 0.00000 +39 'point symmetry operation' ? ? -0.30901699 -0.75576131 -0.57735027 0.00000 0.17841104 -0.64235033 0.74535599 0.00000 +-0.93417236 0.12732200 0.33333333 0.00000 +40 'point symmetry operation' ? ? 0.00000000 -0.35682209 -0.93417236 0.00000 0.93417236 -0.33333333 0.12732200 0.00000 +-0.35682209 -0.87267800 0.33333333 0.00000 +41 'point symmetry operation' ? ? 0.00000000 -0.93417236 0.35682209 0.00000 0.35682209 -0.33333333 -0.87267800 0.00000 +0.93417236 0.12732200 0.33333333 0.00000 +42 'point symmetry operation' ? ? 0.80901699 -0.46708618 -0.35682209 0.00000 -0.11026409 0.47568366 -0.87267800 0.00000 +0.57735027 0.74535599 0.33333333 0.00000 +43 'point symmetry operation' ? ? 0.50000000 0.64549722 -0.57735027 0.00000 -0.86602540 0.37267800 -0.33333333 0.00000 +0.00000000 0.66666667 0.74535599 0.00000 +44 'point symmetry operation' ? ? -0.50000000 0.86602540 0.00000000 0.00000 -0.86602540 -0.50000000 0.00000000 0.00000 +0.00000000 0.00000000 1.00000000 0.00000 +45 'point symmetry operation' ? ? -0.80901699 -0.11026409 0.57735027 0.00000 -0.11026409 -0.93633900 -0.33333333 0.00000 +0.57735027 -0.33333333 0.74535599 0.00000 +46 'point symmetry operation' ? ? -0.50000000 0.64549722 -0.57735027 0.00000 -0.64549722 0.16666667 0.74535599 0.00000 +0.57735027 0.74535599 0.33333333 0.00000 +47 'point symmetry operation' ? ? -1.00000000 0.00000000 0.00000000 0.00000 0.00000000 -0.74535599 0.66666667 0.00000 +0.00000000 0.66666667 0.74535599 0.00000 +48 'point symmetry operation' ? ? -0.50000000 -0.86602540 0.00000000 0.00000 0.86602540 -0.50000000 0.00000000 0.00000 +0.00000000 0.00000000 1.00000000 0.00000 +49 'point symmetry operation' ? ? 0.30901699 -0.75576131 -0.57735027 0.00000 0.75576131 0.56366100 -0.33333333 0.00000 +0.57735027 -0.33333333 0.74535599 0.00000 +50 'point symmetry operation' ? ? 0.30901699 0.17841104 -0.93417236 0.00000 -0.17841104 0.97568366 0.12732200 0.00000 +0.93417236 0.12732200 0.33333333 0.00000 +51 'point symmetry operation' ? ? -0.30901699 0.75576131 0.57735027 0.00000 0.17841104 0.64235033 -0.74535599 0.00000 +-0.93417236 -0.12732200 -0.33333333 0.00000 +52 'point symmetry operation' ? ? -0.30901699 -0.17841104 0.93417236 0.00000 -0.75576131 0.64235033 -0.12732200 0.00000 +-0.57735027 -0.74535599 -0.33333333 0.00000 +53 'point symmetry operation' ? ? 0.50000000 -0.64549722 0.57735027 0.00000 -0.86602540 -0.37267800 0.33333333 0.00000 +0.00000000 -0.66666667 -0.74535599 0.00000 +54 'point symmetry operation' ? ? 1.00000000 0.00000000 0.00000000 0.00000 0.00000000 -1.00000000 0.00000000 0.00000 +0.00000000 0.00000000 -1.00000000 0.00000 +55 'point symmetry operation' ? ? 0.50000000 0.86602540 0.00000000 0.00000 0.64549722 -0.37267800 -0.66666667 0.00000 +-0.57735027 0.33333333 -0.74535599 0.00000 +56 'point symmetry operation' ? ? 0.80901699 -0.46708618 -0.35682209 0.00000 0.11026409 -0.47568366 0.87267800 0.00000 +-0.57735027 -0.74535599 -0.33333333 0.00000 +57 'point symmetry operation' ? ? 0.50000000 0.64549722 -0.57735027 0.00000 0.86602540 -0.37267800 0.33333333 0.00000 +0.00000000 -0.66666667 -0.74535599 0.00000 +58 'point symmetry operation' ? ? -0.50000000 0.86602540 0.00000000 0.00000 0.86602540 0.50000000 0.00000000 0.00000 +0.00000000 0.00000000 -1.00000000 0.00000 +59 'point symmetry operation' ? ? -0.80901699 -0.11026409 0.57735027 0.00000 0.11026409 0.93633900 0.33333333 0.00000 +-0.57735027 0.33333333 -0.74535599 0.00000 +60 'point symmetry operation' ? ? 0.00000000 -0.93417236 0.35682209 0.00000 -0.35682209 0.33333333 0.87267800 0.00000 +-0.93417236 -0.12732200 -0.33333333 0.00000 +# +_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 1 PHE A 25 ? VAL A 29 ? PHE A 25 VAL A 29 5 ? 5 +HELX_P HELX_P2 2 THR A 97 ? LYS A 113 ? THR A 97 LYS A 113 1 ? 17 +HELX_P HELX_P3 3 ASN A 116 ? ALA A 124 ? ASN A 116 ALA A 124 1 ? 9 +HELX_P HELX_P4 4 PHE B 25 ? VAL B 29 ? PHE B 25 VAL B 29 5 ? 5 +HELX_P HELX_P5 5 PRO B 78 ? ALA B 81 ? PRO B 78 ALA B 81 5 ? 4 +HELX_P HELX_P6 6 THR B 97 ? LYS B 113 ? THR B 97 LYS B 113 1 ? 17 +HELX_P HELX_P7 7 ASN B 116 ? ALA B 124 ? ASN B 116 ALA B 124 1 ? 9 +HELX_P HELX_P8 8 PHE C 25 ? VAL C 29 ? PHE C 25 VAL C 29 5 ? 5 +HELX_P HELX_P9 9 SER C 37 ? ALA C 41 ? SER C 37 ALA C 41 5 ? 5 +HELX_P HELX_P10 10 THR C 97 ? LEU C 112 ? THR C 97 LEU C 112 1 ? 16 +HELX_P HELX_P11 11 ASN C 116 ? ALA C 123 ? ASN C 116 ALA C 123 1 ? 8 +# +_struct_conf_type.id HELX_P +_struct_conf_type.criteria ? +_struct_conf_type.reference ? +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_leaving_atom_flag +_struct_conn.pdbx_PDB_id +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.pdbx_ptnr1_label_alt_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr1_standard_comp_id +_struct_conn.ptnr1_symmetry +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr2_label_alt_id +_struct_conn.pdbx_ptnr2_PDB_ins_code +_struct_conn.ptnr1_auth_asym_id +_struct_conn.ptnr1_auth_comp_id +_struct_conn.ptnr1_auth_seq_id +_struct_conn.ptnr2_auth_asym_id +_struct_conn.ptnr2_auth_comp_id +_struct_conn.ptnr2_auth_seq_id +_struct_conn.ptnr2_symmetry +_struct_conn.pdbx_ptnr3_label_atom_id +_struct_conn.pdbx_ptnr3_label_seq_id +_struct_conn.pdbx_ptnr3_label_comp_id +_struct_conn.pdbx_ptnr3_label_asym_id +_struct_conn.pdbx_ptnr3_label_alt_id +_struct_conn.pdbx_ptnr3_PDB_ins_code +_struct_conn.details +_struct_conn.pdbx_dist_value +_struct_conn.pdbx_value_order +_struct_conn.pdbx_role +covale1 covale both ? D U 10 "O3'" ? ? ? 1_555 D ONE 11 P ? ? R U 10 R ONE 11 1_555 ? ? ? ? ? ? ? 1.604 ? ? +covale2 covale both ? D ONE 11 "O3'" ? ? ? 1_555 D A 12 P ? ? R ONE 11 R A 12 1_555 ? ? ? ? ? ? ? 1.609 ? ? +covale3 covale both ? E U 10 "O3'" ? ? ? 1_555 E ONE 11 P ? ? S U 10 S ONE 11 1_555 ? ? ? ? ? ? ? 1.607 ? ? +covale4 covale both ? E ONE 11 "O3'" ? ? ? 1_555 E A 12 P ? ? S ONE 11 S A 12 1_555 ? ? ? ? ? ? ? 1.613 ? ? +hydrog1 hydrog ? ? D A 3 N1 ? ? ? 1_555 D U 17 N3 ? ? R A 3 R U 17 1_555 ? ? ? ? ? ? 'A-U PAIR' ? ? ? +hydrog2 hydrog ? ? D U 4 N3 ? ? ? 1_555 D A 16 N1 ? ? R U 4 R A 16 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog3 hydrog ? ? D U 4 O4 ? ? ? 1_555 D A 16 N6 ? ? R U 4 R A 16 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog4 hydrog ? ? D G 5 N1 ? ? ? 1_555 D C 15 N3 ? ? R G 5 R C 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog5 hydrog ? ? D G 5 N2 ? ? ? 1_555 D C 15 O2 ? ? R G 5 R C 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog6 hydrog ? ? D G 5 O6 ? ? ? 1_555 D C 15 N4 ? ? R G 5 R C 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog7 hydrog ? ? D G 7 N1 ? ? ? 1_555 D C 14 N3 ? ? R G 7 R C 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog8 hydrog ? ? D G 7 N2 ? ? ? 1_555 D C 14 O2 ? ? R G 7 R C 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog9 hydrog ? ? D G 7 O6 ? ? ? 1_555 D C 14 N4 ? ? R G 7 R C 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog10 hydrog ? ? D G 8 N1 ? ? ? 1_555 D C 13 N3 ? ? R G 8 R C 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog11 hydrog ? ? D G 8 N2 ? ? ? 1_555 D C 13 O2 ? ? R G 8 R C 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog12 hydrog ? ? D G 8 O6 ? ? ? 1_555 D C 13 N4 ? ? R G 8 R C 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog13 hydrog ? ? E U 4 N3 ? ? ? 1_555 E A 16 N1 ? ? S U 4 S A 16 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog14 hydrog ? ? E U 4 O4 ? ? ? 1_555 E A 16 N6 ? ? S U 4 S A 16 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog15 hydrog ? ? E G 5 N1 ? ? ? 1_555 E C 15 N3 ? ? S G 5 S C 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog16 hydrog ? ? E G 5 N2 ? ? ? 1_555 E C 15 O2 ? ? S G 5 S C 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog17 hydrog ? ? E G 5 O6 ? ? ? 1_555 E C 15 N4 ? ? S G 5 S C 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog18 hydrog ? ? E G 7 N1 ? ? ? 1_555 E C 14 N3 ? ? S G 7 S C 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog19 hydrog ? ? E G 7 N2 ? ? ? 1_555 E C 14 O2 ? ? S G 7 S C 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog20 hydrog ? ? E G 7 O6 ? ? ? 1_555 E C 14 N4 ? ? S G 7 S C 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog21 hydrog ? ? E G 8 N1 ? ? ? 1_555 E C 13 N3 ? ? S G 8 S C 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog22 hydrog ? ? E G 8 N2 ? ? ? 1_555 E C 13 O2 ? ? S G 8 S C 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog23 hydrog ? ? E G 8 O6 ? ? ? 1_555 E C 13 N4 ? ? S G 8 S C 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +# +loop_ +_struct_conn_type.id +_struct_conn_type.criteria +_struct_conn_type.reference +covale ? ? +hydrog ? ? +# +_struct_mon_prot_cis.pdbx_id 1 +_struct_mon_prot_cis.label_comp_id LEU +_struct_mon_prot_cis.label_seq_id 77 +_struct_mon_prot_cis.label_asym_id B +_struct_mon_prot_cis.label_alt_id . +_struct_mon_prot_cis.pdbx_PDB_ins_code ? +_struct_mon_prot_cis.auth_comp_id LEU +_struct_mon_prot_cis.auth_seq_id 77 +_struct_mon_prot_cis.auth_asym_id B +_struct_mon_prot_cis.pdbx_label_comp_id_2 PRO +_struct_mon_prot_cis.pdbx_label_seq_id_2 78 +_struct_mon_prot_cis.pdbx_label_asym_id_2 B +_struct_mon_prot_cis.pdbx_PDB_ins_code_2 ? +_struct_mon_prot_cis.pdbx_auth_comp_id_2 PRO +_struct_mon_prot_cis.pdbx_auth_seq_id_2 78 +_struct_mon_prot_cis.pdbx_auth_asym_id_2 B +_struct_mon_prot_cis.pdbx_PDB_model_num 1 +_struct_mon_prot_cis.pdbx_omega_angle 0.28 +# +loop_ +_struct_sheet.id +_struct_sheet.type +_struct_sheet.number_strands +_struct_sheet.details +AA ? 6 ? +BA ? 6 ? +CA ? 6 ? +# +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 +AA 1 2 ? anti-parallel +AA 2 3 ? anti-parallel +AA 3 4 ? anti-parallel +AA 4 5 ? anti-parallel +AA 5 6 ? anti-parallel +BA 1 2 ? anti-parallel +BA 2 3 ? anti-parallel +BA 3 4 ? anti-parallel +BA 4 5 ? anti-parallel +BA 5 6 ? anti-parallel +CA 1 2 ? anti-parallel +CA 2 3 ? anti-parallel +CA 3 4 ? anti-parallel +CA 4 5 ? anti-parallel +CA 5 6 ? 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 +AA 1 PHE A 7 ? VAL A 10 ? PHE A 7 VAL A 10 +AA 2 VAL A 18 ? ASN A 24 ? VAL A 18 ASN A 24 +AA 3 ALA A 30 ? SER A 34 ? ALA A 30 SER A 34 +AA 4 LYS A 43 ? ARG A 49 ? LYS A 43 ARG A 49 +AA 5 ASN A 55 ? VAL A 72 ? ASN A 55 VAL A 72 +AA 6 VAL A 75 ? PRO A 93 ? VAL A 75 PRO A 93 +BA 1 PHE B 7 ? VAL B 10 ? PHE B 7 VAL B 10 +BA 2 VAL B 18 ? ASN B 24 ? VAL B 18 ASN B 24 +BA 3 ALA B 30 ? ILE B 33 ? ALA B 30 ILE B 33 +BA 4 LYS B 43 ? ARG B 49 ? LYS B 43 ARG B 49 +BA 5 ASN B 55 ? PRO B 65 ? ASN B 55 PRO B 65 +BA 6 ARG B 83 ? PRO B 93 ? ARG B 83 PRO B 93 +CA 1 PHE C 7 ? VAL C 10 ? PHE C 7 VAL C 10 +CA 2 VAL C 18 ? ASN C 24 ? VAL C 18 ASN C 24 +CA 3 ALA C 30 ? SER C 34 ? ALA C 30 SER C 34 +CA 4 LYS C 43 ? GLN C 50 ? LYS C 43 GLN C 50 +CA 5 ASN C 55 ? VAL C 72 ? ASN C 55 VAL C 72 +CA 6 VAL C 75 ? PRO C 93 ? VAL C 75 PRO C 93 +# +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 +AA 1 2 N VAL A 10 ? N VAL A 10 O VAL A 18 ? O VAL A 18 +AA 2 3 N SER A 23 ? N SER A 23 O GLU A 31 ? O GLU A 31 +AA 3 4 N TRP A 32 ? N TRP A 32 O VAL A 44 ? O VAL A 44 +AA 4 5 N ARG A 49 ? N ARG A 49 O LYS A 57 ? O LYS A 57 +AA 5 6 N VAL A 72 ? N VAL A 72 O VAL A 75 ? O VAL A 75 +BA 1 2 N LEU B 9 ? N LEU B 9 O VAL B 18 ? O VAL B 18 +BA 2 3 N SER B 23 ? N SER B 23 O GLU B 31 ? O GLU B 31 +BA 3 4 N TRP B 32 ? N TRP B 32 O VAL B 44 ? O VAL B 44 +BA 4 5 N ARG B 49 ? N ARG B 49 O LYS B 57 ? O LYS B 57 +BA 5 6 N VAL B 64 ? N VAL B 64 O SER B 84 ? O SER B 84 +CA 1 2 N LEU C 9 ? N LEU C 9 O VAL C 18 ? O VAL C 18 +CA 2 3 N SER C 23 ? N SER C 23 O GLU C 31 ? O GLU C 31 +CA 3 4 N TRP C 32 ? N TRP C 32 O VAL C 44 ? O VAL C 44 +CA 4 5 N ARG C 49 ? N ARG C 49 O LYS C 57 ? O LYS C 57 +CA 5 6 N VAL C 72 ? N VAL C 72 O VAL C 75 ? O VAL C 75 +# +loop_ +_pdbx_validate_torsion.id +_pdbx_validate_torsion.PDB_model_num +_pdbx_validate_torsion.auth_comp_id +_pdbx_validate_torsion.auth_asym_id +_pdbx_validate_torsion.auth_seq_id +_pdbx_validate_torsion.PDB_ins_code +_pdbx_validate_torsion.label_alt_id +_pdbx_validate_torsion.phi +_pdbx_validate_torsion.psi +1 1 SER A 2 ? ? 175.79 114.83 +2 1 ASN A 12 ? ? -109.08 46.20 +3 1 PHE A 25 ? ? -142.26 17.10 +4 1 SER B 2 ? ? -46.28 104.46 +5 1 PHE B 25 ? ? -140.04 19.08 +6 1 ASN C 12 ? ? -113.59 50.28 +7 1 SER C 23 ? ? -135.00 -32.37 +8 1 ASN C 36 ? ? 71.53 -176.73 +9 1 SER C 37 ? ? -30.22 118.56 +10 1 ALA C 123 ? ? -59.81 -9.49 +# +loop_ +_pdbx_struct_mod_residue.id +_pdbx_struct_mod_residue.label_asym_id +_pdbx_struct_mod_residue.label_comp_id +_pdbx_struct_mod_residue.label_seq_id +_pdbx_struct_mod_residue.auth_asym_id +_pdbx_struct_mod_residue.auth_comp_id +_pdbx_struct_mod_residue.auth_seq_id +_pdbx_struct_mod_residue.PDB_ins_code +_pdbx_struct_mod_residue.parent_comp_id +_pdbx_struct_mod_residue.details +1 D ONE 11 R ONE 11 ? U ? +2 E ONE 11 S ONE 11 ? U ? +# +_pdbx_point_symmetry.entry_id 2IZ9 +_pdbx_point_symmetry.Schoenflies_symbol I +# +_pdbx_entry_details.entry_id 2IZ9 +_pdbx_entry_details.compound_details 'FORMS THE PHAGE SHELL AND BINDS TO THE PHAGE RNA' +_pdbx_entry_details.source_details ? +_pdbx_entry_details.nonpolymer_details ? +_pdbx_entry_details.sequence_details ? +_pdbx_entry_details.has_ligand_of_interest ? +# +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 R A 1 ? D A 1 +2 1 Y 1 R C 2 ? D C 2 +3 1 Y 1 R G 18 ? D G 18 +4 1 Y 1 R U 19 ? D U 19 +5 1 Y 1 S A 1 ? E A 1 +6 1 Y 1 S C 2 ? E C 2 +7 1 Y 1 S G 18 ? E G 18 +8 1 Y 1 S U 19 ? E U 19 +# +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 +A OP3 O N N 1 +A P P N N 2 +A OP1 O N N 3 +A OP2 O N N 4 +A "O5'" O N N 5 +A "C5'" C N N 6 +A "C4'" C N R 7 +A "O4'" O N N 8 +A "C3'" C N S 9 +A "O3'" O N N 10 +A "C2'" C N R 11 +A "O2'" O N N 12 +A "C1'" C N R 13 +A N9 N Y N 14 +A C8 C Y N 15 +A N7 N Y N 16 +A C5 C Y N 17 +A C6 C Y N 18 +A N6 N N N 19 +A N1 N Y N 20 +A C2 C Y N 21 +A N3 N Y N 22 +A C4 C Y N 23 +A HOP3 H N N 24 +A HOP2 H N N 25 +A "H5'" H N N 26 +A "H5''" H N N 27 +A "H4'" H N N 28 +A "H3'" H N N 29 +A "HO3'" H N N 30 +A "H2'" H N N 31 +A "HO2'" H N N 32 +A "H1'" H N N 33 +A H8 H N N 34 +A H61 H N N 35 +A H62 H N N 36 +A H2 H N N 37 +ALA N N N N 38 +ALA CA C N S 39 +ALA C C N N 40 +ALA O O N N 41 +ALA CB C N N 42 +ALA OXT O N N 43 +ALA H H N N 44 +ALA H2 H N N 45 +ALA HA H N N 46 +ALA HB1 H N N 47 +ALA HB2 H N N 48 +ALA HB3 H N N 49 +ALA HXT H N N 50 +ARG N N N N 51 +ARG CA C N S 52 +ARG C C N N 53 +ARG O O N N 54 +ARG CB C N N 55 +ARG CG C N N 56 +ARG CD C N N 57 +ARG NE N N N 58 +ARG CZ C N N 59 +ARG NH1 N N N 60 +ARG NH2 N N N 61 +ARG OXT O N N 62 +ARG H H N N 63 +ARG H2 H N N 64 +ARG HA H N N 65 +ARG HB2 H N N 66 +ARG HB3 H N N 67 +ARG HG2 H N N 68 +ARG HG3 H N N 69 +ARG HD2 H N N 70 +ARG HD3 H N N 71 +ARG HE H N N 72 +ARG HH11 H N N 73 +ARG HH12 H N N 74 +ARG HH21 H N N 75 +ARG HH22 H N N 76 +ARG HXT H N N 77 +ASN N N N N 78 +ASN CA C N S 79 +ASN C C N N 80 +ASN O O N N 81 +ASN CB C N N 82 +ASN CG C N N 83 +ASN OD1 O N N 84 +ASN ND2 N N N 85 +ASN OXT O N N 86 +ASN H H N N 87 +ASN H2 H N N 88 +ASN HA H N N 89 +ASN HB2 H N N 90 +ASN HB3 H N N 91 +ASN HD21 H N N 92 +ASN HD22 H N N 93 +ASN HXT H N N 94 +ASP N N N N 95 +ASP CA C N S 96 +ASP C C N N 97 +ASP O O N N 98 +ASP CB C N N 99 +ASP CG C N N 100 +ASP OD1 O N N 101 +ASP OD2 O N N 102 +ASP OXT O N N 103 +ASP H H N N 104 +ASP H2 H N N 105 +ASP HA H N N 106 +ASP HB2 H N N 107 +ASP HB3 H N N 108 +ASP HD2 H N N 109 +ASP HXT H N N 110 +C OP3 O N N 111 +C P P N N 112 +C OP1 O N N 113 +C OP2 O N N 114 +C "O5'" O N N 115 +C "C5'" C N N 116 +C "C4'" C N R 117 +C "O4'" O N N 118 +C "C3'" C N S 119 +C "O3'" O N N 120 +C "C2'" C N R 121 +C "O2'" O N N 122 +C "C1'" C N R 123 +C N1 N N N 124 +C C2 C N N 125 +C O2 O N N 126 +C N3 N N N 127 +C C4 C N N 128 +C N4 N N N 129 +C C5 C N N 130 +C C6 C N N 131 +C HOP3 H N N 132 +C HOP2 H N N 133 +C "H5'" H N N 134 +C "H5''" H N N 135 +C "H4'" H N N 136 +C "H3'" H N N 137 +C "HO3'" H N N 138 +C "H2'" H N N 139 +C "HO2'" H N N 140 +C "H1'" H N N 141 +C H41 H N N 142 +C H42 H N N 143 +C H5 H N N 144 +C H6 H N N 145 +CYS N N N N 146 +CYS CA C N R 147 +CYS C C N N 148 +CYS O O N N 149 +CYS CB C N N 150 +CYS SG S N N 151 +CYS OXT O N N 152 +CYS H H N N 153 +CYS H2 H N N 154 +CYS HA H N N 155 +CYS HB2 H N N 156 +CYS HB3 H N N 157 +CYS HG H N N 158 +CYS HXT H N N 159 +G OP3 O N N 160 +G P P N N 161 +G OP1 O N N 162 +G OP2 O N N 163 +G "O5'" O N N 164 +G "C5'" C N N 165 +G "C4'" C N R 166 +G "O4'" O N N 167 +G "C3'" C N S 168 +G "O3'" O N N 169 +G "C2'" C N R 170 +G "O2'" O N N 171 +G "C1'" C N R 172 +G N9 N Y N 173 +G C8 C Y N 174 +G N7 N Y N 175 +G C5 C Y N 176 +G C6 C N N 177 +G O6 O N N 178 +G N1 N N N 179 +G C2 C N N 180 +G N2 N N N 181 +G N3 N N N 182 +G C4 C Y N 183 +G HOP3 H N N 184 +G HOP2 H N N 185 +G "H5'" H N N 186 +G "H5''" H N N 187 +G "H4'" H N N 188 +G "H3'" H N N 189 +G "HO3'" H N N 190 +G "H2'" H N N 191 +G "HO2'" H N N 192 +G "H1'" H N N 193 +G H8 H N N 194 +G H1 H N N 195 +G H21 H N N 196 +G H22 H N N 197 +GLN N N N N 198 +GLN CA C N S 199 +GLN C C N N 200 +GLN O O N N 201 +GLN CB C N N 202 +GLN CG C N N 203 +GLN CD C N N 204 +GLN OE1 O N N 205 +GLN NE2 N N N 206 +GLN OXT O N N 207 +GLN H H N N 208 +GLN H2 H N N 209 +GLN HA H N N 210 +GLN HB2 H N N 211 +GLN HB3 H N N 212 +GLN HG2 H N N 213 +GLN HG3 H N N 214 +GLN HE21 H N N 215 +GLN HE22 H N N 216 +GLN HXT H N N 217 +GLU N N N N 218 +GLU CA C N S 219 +GLU C C N N 220 +GLU O O N N 221 +GLU CB C N N 222 +GLU CG C N N 223 +GLU CD C N N 224 +GLU OE1 O N N 225 +GLU OE2 O N N 226 +GLU OXT O N N 227 +GLU H H N N 228 +GLU H2 H N N 229 +GLU HA H N N 230 +GLU HB2 H N N 231 +GLU HB3 H N N 232 +GLU HG2 H N N 233 +GLU HG3 H N N 234 +GLU HE2 H N N 235 +GLU HXT H N N 236 +GLY N N N N 237 +GLY CA C N N 238 +GLY C C N N 239 +GLY O O N N 240 +GLY OXT O N N 241 +GLY H H N N 242 +GLY H2 H N N 243 +GLY HA2 H N N 244 +GLY HA3 H N N 245 +GLY HXT H N N 246 +HOH O O N N 247 +HOH H1 H N N 248 +HOH H2 H N N 249 +ILE N N N N 250 +ILE CA C N S 251 +ILE C C N N 252 +ILE O O N N 253 +ILE CB C N S 254 +ILE CG1 C N N 255 +ILE CG2 C N N 256 +ILE CD1 C N N 257 +ILE OXT O N N 258 +ILE H H N N 259 +ILE H2 H N N 260 +ILE HA H N N 261 +ILE HB H N N 262 +ILE HG12 H N N 263 +ILE HG13 H N N 264 +ILE HG21 H N N 265 +ILE HG22 H N N 266 +ILE HG23 H N N 267 +ILE HD11 H N N 268 +ILE HD12 H N N 269 +ILE HD13 H N N 270 +ILE HXT H N N 271 +LEU N N N N 272 +LEU CA C N S 273 +LEU C C N N 274 +LEU O O N N 275 +LEU CB C N N 276 +LEU CG C N N 277 +LEU CD1 C N N 278 +LEU CD2 C N N 279 +LEU OXT O N N 280 +LEU H H N N 281 +LEU H2 H N N 282 +LEU HA H N N 283 +LEU HB2 H N N 284 +LEU HB3 H N N 285 +LEU HG H N N 286 +LEU HD11 H N N 287 +LEU HD12 H N N 288 +LEU HD13 H N N 289 +LEU HD21 H N N 290 +LEU HD22 H N N 291 +LEU HD23 H N N 292 +LEU HXT H N N 293 +LYS N N N N 294 +LYS CA C N S 295 +LYS C C N N 296 +LYS O O N N 297 +LYS CB C N N 298 +LYS CG C N N 299 +LYS CD C N N 300 +LYS CE C N N 301 +LYS NZ N N N 302 +LYS OXT O N N 303 +LYS H H N N 304 +LYS H2 H N N 305 +LYS HA H N N 306 +LYS HB2 H N N 307 +LYS HB3 H N N 308 +LYS HG2 H N N 309 +LYS HG3 H N N 310 +LYS HD2 H N N 311 +LYS HD3 H N N 312 +LYS HE2 H N N 313 +LYS HE3 H N N 314 +LYS HZ1 H N N 315 +LYS HZ2 H N N 316 +LYS HZ3 H N N 317 +LYS HXT H N N 318 +MET N N N N 319 +MET CA C N S 320 +MET C C N N 321 +MET O O N N 322 +MET CB C N N 323 +MET CG C N N 324 +MET SD S N N 325 +MET CE C N N 326 +MET OXT O N N 327 +MET H H N N 328 +MET H2 H N N 329 +MET HA H N N 330 +MET HB2 H N N 331 +MET HB3 H N N 332 +MET HG2 H N N 333 +MET HG3 H N N 334 +MET HE1 H N N 335 +MET HE2 H N N 336 +MET HE3 H N N 337 +MET HXT H N N 338 +ONE OP3 O N N 339 +ONE P P N N 340 +ONE OP1 O N N 341 +ONE OP2 O N N 342 +ONE "O5'" O N N 343 +ONE "C5'" C N N 344 +ONE "C4'" C N R 345 +ONE "O4'" O N N 346 +ONE "C3'" C N S 347 +ONE "C2'" C N R 348 +ONE "O2'" O N N 349 +ONE "O3'" O N N 350 +ONE "C1'" C N R 351 +ONE N1 N N N 352 +ONE C6 C N N 353 +ONE C2 C N N 354 +ONE C3 C N N 355 +ONE C4 C N N 356 +ONE O4 O N N 357 +ONE C5 C N N 358 +ONE HOP3 H N N 359 +ONE HOP2 H N N 360 +ONE "H5''" H N N 361 +ONE "H5'" H N N 362 +ONE "H4'" H N N 363 +ONE "H3'" H N N 364 +ONE "H2'" H N N 365 +ONE HO2 H N N 366 +ONE HO3 H N N 367 +ONE "H1'" H N N 368 +ONE H6 H N N 369 +ONE H2 H N N 370 +ONE H3 H N N 371 +ONE H5 H N N 372 +PHE N N N N 373 +PHE CA C N S 374 +PHE C C N N 375 +PHE O O N N 376 +PHE CB C N N 377 +PHE CG C Y N 378 +PHE CD1 C Y N 379 +PHE CD2 C Y N 380 +PHE CE1 C Y N 381 +PHE CE2 C Y N 382 +PHE CZ C Y N 383 +PHE OXT O N N 384 +PHE H H N N 385 +PHE H2 H N N 386 +PHE HA H N N 387 +PHE HB2 H N N 388 +PHE HB3 H N N 389 +PHE HD1 H N N 390 +PHE HD2 H N N 391 +PHE HE1 H N N 392 +PHE HE2 H N N 393 +PHE HZ H N N 394 +PHE HXT H N N 395 +PRO N N N N 396 +PRO CA C N S 397 +PRO C C N N 398 +PRO O O N N 399 +PRO CB C N N 400 +PRO CG C N N 401 +PRO CD C N N 402 +PRO OXT O N N 403 +PRO H H N N 404 +PRO HA H N N 405 +PRO HB2 H N N 406 +PRO HB3 H N N 407 +PRO HG2 H N N 408 +PRO HG3 H N N 409 +PRO HD2 H N N 410 +PRO HD3 H N N 411 +PRO HXT H N N 412 +SER N N N N 413 +SER CA C N S 414 +SER C C N N 415 +SER O O N N 416 +SER CB C N N 417 +SER OG O N N 418 +SER OXT O N N 419 +SER H H N N 420 +SER H2 H N N 421 +SER HA H N N 422 +SER HB2 H N N 423 +SER HB3 H N N 424 +SER HG H N N 425 +SER HXT H N N 426 +THR N N N N 427 +THR CA C N S 428 +THR C C N N 429 +THR O O N N 430 +THR CB C N R 431 +THR OG1 O N N 432 +THR CG2 C N N 433 +THR OXT O N N 434 +THR H H N N 435 +THR H2 H N N 436 +THR HA H N N 437 +THR HB H N N 438 +THR HG1 H N N 439 +THR HG21 H N N 440 +THR HG22 H N N 441 +THR HG23 H N N 442 +THR HXT H N N 443 +TRP N N N N 444 +TRP CA C N S 445 +TRP C C N N 446 +TRP O O N N 447 +TRP CB C N N 448 +TRP CG C Y N 449 +TRP CD1 C Y N 450 +TRP CD2 C Y N 451 +TRP NE1 N Y N 452 +TRP CE2 C Y N 453 +TRP CE3 C Y N 454 +TRP CZ2 C Y N 455 +TRP CZ3 C Y N 456 +TRP CH2 C Y N 457 +TRP OXT O N N 458 +TRP H H N N 459 +TRP H2 H N N 460 +TRP HA H N N 461 +TRP HB2 H N N 462 +TRP HB3 H N N 463 +TRP HD1 H N N 464 +TRP HE1 H N N 465 +TRP HE3 H N N 466 +TRP HZ2 H N N 467 +TRP HZ3 H N N 468 +TRP HH2 H N N 469 +TRP HXT H N N 470 +TYR N N N N 471 +TYR CA C N S 472 +TYR C C N N 473 +TYR O O N N 474 +TYR CB C N N 475 +TYR CG C Y N 476 +TYR CD1 C Y N 477 +TYR CD2 C Y N 478 +TYR CE1 C Y N 479 +TYR CE2 C Y N 480 +TYR CZ C Y N 481 +TYR OH O N N 482 +TYR OXT O N N 483 +TYR H H N N 484 +TYR H2 H N N 485 +TYR HA H N N 486 +TYR HB2 H N N 487 +TYR HB3 H N N 488 +TYR HD1 H N N 489 +TYR HD2 H N N 490 +TYR HE1 H N N 491 +TYR HE2 H N N 492 +TYR HH H N N 493 +TYR HXT H N N 494 +U OP3 O N N 495 +U P P N N 496 +U OP1 O N N 497 +U OP2 O N N 498 +U "O5'" O N N 499 +U "C5'" C N N 500 +U "C4'" C N R 501 +U "O4'" O N N 502 +U "C3'" C N S 503 +U "O3'" O N N 504 +U "C2'" C N R 505 +U "O2'" O N N 506 +U "C1'" C N R 507 +U N1 N N N 508 +U C2 C N N 509 +U O2 O N N 510 +U N3 N N N 511 +U C4 C N N 512 +U O4 O N N 513 +U C5 C N N 514 +U C6 C N N 515 +U HOP3 H N N 516 +U HOP2 H N N 517 +U "H5'" H N N 518 +U "H5''" H N N 519 +U "H4'" H N N 520 +U "H3'" H N N 521 +U "HO3'" H N N 522 +U "H2'" H N N 523 +U "HO2'" H N N 524 +U "H1'" H N N 525 +U H3 H N N 526 +U H5 H N N 527 +U H6 H N N 528 +VAL N N N N 529 +VAL CA C N S 530 +VAL C C N N 531 +VAL O O N N 532 +VAL CB C N N 533 +VAL CG1 C N N 534 +VAL CG2 C N N 535 +VAL OXT O N N 536 +VAL H H N N 537 +VAL H2 H N N 538 +VAL HA H N N 539 +VAL HB H N N 540 +VAL HG11 H N N 541 +VAL HG12 H N N 542 +VAL HG13 H N N 543 +VAL HG21 H N N 544 +VAL HG22 H N N 545 +VAL HG23 H N N 546 +VAL HXT H N N 547 +# +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 +A OP3 P sing N N 1 +A OP3 HOP3 sing N N 2 +A P OP1 doub N N 3 +A P OP2 sing N N 4 +A P "O5'" sing N N 5 +A OP2 HOP2 sing N N 6 +A "O5'" "C5'" sing N N 7 +A "C5'" "C4'" sing N N 8 +A "C5'" "H5'" sing N N 9 +A "C5'" "H5''" sing N N 10 +A "C4'" "O4'" sing N N 11 +A "C4'" "C3'" sing N N 12 +A "C4'" "H4'" sing N N 13 +A "O4'" "C1'" sing N N 14 +A "C3'" "O3'" sing N N 15 +A "C3'" "C2'" sing N N 16 +A "C3'" "H3'" sing N N 17 +A "O3'" "HO3'" sing N N 18 +A "C2'" "O2'" sing N N 19 +A "C2'" "C1'" sing N N 20 +A "C2'" "H2'" sing N N 21 +A "O2'" "HO2'" sing N N 22 +A "C1'" N9 sing N N 23 +A "C1'" "H1'" sing N N 24 +A N9 C8 sing Y N 25 +A N9 C4 sing Y N 26 +A C8 N7 doub Y N 27 +A C8 H8 sing N N 28 +A N7 C5 sing Y N 29 +A C5 C6 sing Y N 30 +A C5 C4 doub Y N 31 +A C6 N6 sing N N 32 +A C6 N1 doub Y N 33 +A N6 H61 sing N N 34 +A N6 H62 sing N N 35 +A N1 C2 sing Y N 36 +A C2 N3 doub Y N 37 +A C2 H2 sing N N 38 +A N3 C4 sing Y N 39 +ALA N CA sing N N 40 +ALA N H sing N N 41 +ALA N H2 sing N N 42 +ALA CA C sing N N 43 +ALA CA CB sing N N 44 +ALA CA HA sing N N 45 +ALA C O doub N N 46 +ALA C OXT sing N N 47 +ALA CB HB1 sing N N 48 +ALA CB HB2 sing N N 49 +ALA CB HB3 sing N N 50 +ALA OXT HXT sing N N 51 +ARG N CA sing N N 52 +ARG N H sing N N 53 +ARG N H2 sing N N 54 +ARG CA C sing N N 55 +ARG CA CB sing N N 56 +ARG CA HA sing N N 57 +ARG C O doub N N 58 +ARG C OXT sing N N 59 +ARG CB CG sing N N 60 +ARG CB HB2 sing N N 61 +ARG CB HB3 sing N N 62 +ARG CG CD sing N N 63 +ARG CG HG2 sing N N 64 +ARG CG HG3 sing N N 65 +ARG CD NE sing N N 66 +ARG CD HD2 sing N N 67 +ARG CD HD3 sing N N 68 +ARG NE CZ sing N N 69 +ARG NE HE sing N N 70 +ARG CZ NH1 sing N N 71 +ARG CZ NH2 doub N N 72 +ARG NH1 HH11 sing N N 73 +ARG NH1 HH12 sing N N 74 +ARG NH2 HH21 sing N N 75 +ARG NH2 HH22 sing N N 76 +ARG OXT HXT sing N N 77 +ASN N CA sing N N 78 +ASN N H sing N N 79 +ASN N H2 sing N N 80 +ASN CA C sing N N 81 +ASN CA CB sing N N 82 +ASN CA HA sing N N 83 +ASN C O doub N N 84 +ASN C OXT sing N N 85 +ASN CB CG sing N N 86 +ASN CB HB2 sing N N 87 +ASN CB HB3 sing N N 88 +ASN CG OD1 doub N N 89 +ASN CG ND2 sing N N 90 +ASN ND2 HD21 sing N N 91 +ASN ND2 HD22 sing N N 92 +ASN OXT HXT sing N N 93 +ASP N CA sing N N 94 +ASP N H sing N N 95 +ASP N H2 sing N N 96 +ASP CA C sing N N 97 +ASP CA CB sing N N 98 +ASP CA HA sing N N 99 +ASP C O doub N N 100 +ASP C OXT sing N N 101 +ASP CB CG sing N N 102 +ASP CB HB2 sing N N 103 +ASP CB HB3 sing N N 104 +ASP CG OD1 doub N N 105 +ASP CG OD2 sing N N 106 +ASP OD2 HD2 sing N N 107 +ASP OXT HXT sing N N 108 +C OP3 P sing N N 109 +C OP3 HOP3 sing N N 110 +C P OP1 doub N N 111 +C P OP2 sing N N 112 +C P "O5'" sing N N 113 +C OP2 HOP2 sing N N 114 +C "O5'" "C5'" sing N N 115 +C "C5'" "C4'" sing N N 116 +C "C5'" "H5'" sing N N 117 +C "C5'" "H5''" sing N N 118 +C "C4'" "O4'" sing N N 119 +C "C4'" "C3'" sing N N 120 +C "C4'" "H4'" sing N N 121 +C "O4'" "C1'" sing N N 122 +C "C3'" "O3'" sing N N 123 +C "C3'" "C2'" sing N N 124 +C "C3'" "H3'" sing N N 125 +C "O3'" "HO3'" sing N N 126 +C "C2'" "O2'" sing N N 127 +C "C2'" "C1'" sing N N 128 +C "C2'" "H2'" sing N N 129 +C "O2'" "HO2'" sing N N 130 +C "C1'" N1 sing N N 131 +C "C1'" "H1'" sing N N 132 +C N1 C2 sing N N 133 +C N1 C6 sing N N 134 +C C2 O2 doub N N 135 +C C2 N3 sing N N 136 +C N3 C4 doub N N 137 +C C4 N4 sing N N 138 +C C4 C5 sing N N 139 +C N4 H41 sing N N 140 +C N4 H42 sing N N 141 +C C5 C6 doub N N 142 +C C5 H5 sing N N 143 +C C6 H6 sing N N 144 +CYS N CA sing N N 145 +CYS N H sing N N 146 +CYS N H2 sing N N 147 +CYS CA C sing N N 148 +CYS CA CB sing N N 149 +CYS CA HA sing N N 150 +CYS C O doub N N 151 +CYS C OXT sing N N 152 +CYS CB SG sing N N 153 +CYS CB HB2 sing N N 154 +CYS CB HB3 sing N N 155 +CYS SG HG sing N N 156 +CYS OXT HXT sing N N 157 +G OP3 P sing N N 158 +G OP3 HOP3 sing N N 159 +G P OP1 doub N N 160 +G P OP2 sing N N 161 +G P "O5'" sing N N 162 +G OP2 HOP2 sing N N 163 +G "O5'" "C5'" sing N N 164 +G "C5'" "C4'" sing N N 165 +G "C5'" "H5'" sing N N 166 +G "C5'" "H5''" sing N N 167 +G "C4'" "O4'" sing N N 168 +G "C4'" "C3'" sing N N 169 +G "C4'" "H4'" sing N N 170 +G "O4'" "C1'" sing N N 171 +G "C3'" "O3'" sing N N 172 +G "C3'" "C2'" sing N N 173 +G "C3'" "H3'" sing N N 174 +G "O3'" "HO3'" sing N N 175 +G "C2'" "O2'" sing N N 176 +G "C2'" "C1'" sing N N 177 +G "C2'" "H2'" sing N N 178 +G "O2'" "HO2'" sing N N 179 +G "C1'" N9 sing N N 180 +G "C1'" "H1'" sing N N 181 +G N9 C8 sing Y N 182 +G N9 C4 sing Y N 183 +G C8 N7 doub Y N 184 +G C8 H8 sing N N 185 +G N7 C5 sing Y N 186 +G C5 C6 sing N N 187 +G C5 C4 doub Y N 188 +G C6 O6 doub N N 189 +G C6 N1 sing N N 190 +G N1 C2 sing N N 191 +G N1 H1 sing N N 192 +G C2 N2 sing N N 193 +G C2 N3 doub N N 194 +G N2 H21 sing N N 195 +G N2 H22 sing N N 196 +G N3 C4 sing N N 197 +GLN N CA sing N N 198 +GLN N H sing N N 199 +GLN N H2 sing N N 200 +GLN CA C sing N N 201 +GLN CA CB sing N N 202 +GLN CA HA sing N N 203 +GLN C O doub N N 204 +GLN C OXT sing N N 205 +GLN CB CG sing N N 206 +GLN CB HB2 sing N N 207 +GLN CB HB3 sing N N 208 +GLN CG CD sing N N 209 +GLN CG HG2 sing N N 210 +GLN CG HG3 sing N N 211 +GLN CD OE1 doub N N 212 +GLN CD NE2 sing N N 213 +GLN NE2 HE21 sing N N 214 +GLN NE2 HE22 sing N N 215 +GLN OXT HXT sing N N 216 +GLU N CA sing N N 217 +GLU N H sing N N 218 +GLU N H2 sing N N 219 +GLU CA C sing N N 220 +GLU CA CB sing N N 221 +GLU CA HA sing N N 222 +GLU C O doub N N 223 +GLU C OXT sing N N 224 +GLU CB CG sing N N 225 +GLU CB HB2 sing N N 226 +GLU CB HB3 sing N N 227 +GLU CG CD sing N N 228 +GLU CG HG2 sing N N 229 +GLU CG HG3 sing N N 230 +GLU CD OE1 doub N N 231 +GLU CD OE2 sing N N 232 +GLU OE2 HE2 sing N N 233 +GLU OXT HXT sing N N 234 +GLY N CA sing N N 235 +GLY N H sing N N 236 +GLY N H2 sing N N 237 +GLY CA C sing N N 238 +GLY CA HA2 sing N N 239 +GLY CA HA3 sing N N 240 +GLY C O doub N N 241 +GLY C OXT sing N N 242 +GLY OXT HXT sing N N 243 +HOH O H1 sing N N 244 +HOH O H2 sing N N 245 +ILE N CA sing N N 246 +ILE N H sing N N 247 +ILE N H2 sing N N 248 +ILE CA C sing N N 249 +ILE CA CB sing N N 250 +ILE CA HA sing N N 251 +ILE C O doub N N 252 +ILE C OXT sing N N 253 +ILE CB CG1 sing N N 254 +ILE CB CG2 sing N N 255 +ILE CB HB sing N N 256 +ILE CG1 CD1 sing N N 257 +ILE CG1 HG12 sing N N 258 +ILE CG1 HG13 sing N N 259 +ILE CG2 HG21 sing N N 260 +ILE CG2 HG22 sing N N 261 +ILE CG2 HG23 sing N N 262 +ILE CD1 HD11 sing N N 263 +ILE CD1 HD12 sing N N 264 +ILE CD1 HD13 sing N N 265 +ILE OXT HXT sing N N 266 +LEU N CA sing N N 267 +LEU N H sing N N 268 +LEU N H2 sing N N 269 +LEU CA C sing N N 270 +LEU CA CB sing N N 271 +LEU CA HA sing N N 272 +LEU C O doub N N 273 +LEU C OXT sing N N 274 +LEU CB CG sing N N 275 +LEU CB HB2 sing N N 276 +LEU CB HB3 sing N N 277 +LEU CG CD1 sing N N 278 +LEU CG CD2 sing N N 279 +LEU CG HG sing N N 280 +LEU CD1 HD11 sing N N 281 +LEU CD1 HD12 sing N N 282 +LEU CD1 HD13 sing N N 283 +LEU CD2 HD21 sing N N 284 +LEU CD2 HD22 sing N N 285 +LEU CD2 HD23 sing N N 286 +LEU OXT HXT sing N N 287 +LYS N CA sing N N 288 +LYS N H sing N N 289 +LYS N H2 sing N N 290 +LYS CA C sing N N 291 +LYS CA CB sing N N 292 +LYS CA HA sing N N 293 +LYS C O doub N N 294 +LYS C OXT sing N N 295 +LYS CB CG sing N N 296 +LYS CB HB2 sing N N 297 +LYS CB HB3 sing N N 298 +LYS CG CD sing N N 299 +LYS CG HG2 sing N N 300 +LYS CG HG3 sing N N 301 +LYS CD CE sing N N 302 +LYS CD HD2 sing N N 303 +LYS CD HD3 sing N N 304 +LYS CE NZ sing N N 305 +LYS CE HE2 sing N N 306 +LYS CE HE3 sing N N 307 +LYS NZ HZ1 sing N N 308 +LYS NZ HZ2 sing N N 309 +LYS NZ HZ3 sing N N 310 +LYS OXT HXT sing N N 311 +MET N CA sing N N 312 +MET N H sing N N 313 +MET N H2 sing N N 314 +MET CA C sing N N 315 +MET CA CB sing N N 316 +MET CA HA sing N N 317 +MET C O doub N N 318 +MET C OXT sing N N 319 +MET CB CG sing N N 320 +MET CB HB2 sing N N 321 +MET CB HB3 sing N N 322 +MET CG SD sing N N 323 +MET CG HG2 sing N N 324 +MET CG HG3 sing N N 325 +MET SD CE sing N N 326 +MET CE HE1 sing N N 327 +MET CE HE2 sing N N 328 +MET CE HE3 sing N N 329 +MET OXT HXT sing N N 330 +ONE OP3 P sing N N 331 +ONE OP3 HOP3 sing N N 332 +ONE P OP1 doub N N 333 +ONE P OP2 sing N N 334 +ONE P "O5'" sing N N 335 +ONE OP2 HOP2 sing N N 336 +ONE "O5'" "C5'" sing N N 337 +ONE "C5'" "C4'" sing N N 338 +ONE "C5'" "H5''" sing N N 339 +ONE "C5'" "H5'" sing N N 340 +ONE "C4'" "O4'" sing N N 341 +ONE "C4'" "C3'" sing N N 342 +ONE "C4'" "H4'" sing N N 343 +ONE "O4'" "C1'" sing N N 344 +ONE "C3'" "C2'" sing N N 345 +ONE "C3'" "O3'" sing N N 346 +ONE "C3'" "H3'" sing N N 347 +ONE "C2'" "O2'" sing N N 348 +ONE "C2'" "C1'" sing N N 349 +ONE "C2'" "H2'" sing N N 350 +ONE "O2'" HO2 sing N N 351 +ONE "O3'" HO3 sing N N 352 +ONE "C1'" N1 sing N N 353 +ONE "C1'" "H1'" sing N N 354 +ONE N1 C6 sing N N 355 +ONE N1 C2 sing N N 356 +ONE C6 C5 doub N N 357 +ONE C6 H6 sing N N 358 +ONE C2 C3 doub N N 359 +ONE C2 H2 sing N N 360 +ONE C3 C4 sing N N 361 +ONE C3 H3 sing N N 362 +ONE C4 O4 doub N N 363 +ONE C4 C5 sing N N 364 +ONE C5 H5 sing N N 365 +PHE N CA sing N N 366 +PHE N H sing N N 367 +PHE N H2 sing N N 368 +PHE CA C sing N N 369 +PHE CA CB sing N N 370 +PHE CA HA sing N N 371 +PHE C O doub N N 372 +PHE C OXT sing N N 373 +PHE CB CG sing N N 374 +PHE CB HB2 sing N N 375 +PHE CB HB3 sing N N 376 +PHE CG CD1 doub Y N 377 +PHE CG CD2 sing Y N 378 +PHE CD1 CE1 sing Y N 379 +PHE CD1 HD1 sing N N 380 +PHE CD2 CE2 doub Y N 381 +PHE CD2 HD2 sing N N 382 +PHE CE1 CZ doub Y N 383 +PHE CE1 HE1 sing N N 384 +PHE CE2 CZ sing Y N 385 +PHE CE2 HE2 sing N N 386 +PHE CZ HZ sing N N 387 +PHE OXT HXT sing N N 388 +PRO N CA sing N N 389 +PRO N CD sing N N 390 +PRO N H sing N N 391 +PRO CA C sing N N 392 +PRO CA CB sing N N 393 +PRO CA HA sing N N 394 +PRO C O doub N N 395 +PRO C OXT sing N N 396 +PRO CB CG sing N N 397 +PRO CB HB2 sing N N 398 +PRO CB HB3 sing N N 399 +PRO CG CD sing N N 400 +PRO CG HG2 sing N N 401 +PRO CG HG3 sing N N 402 +PRO CD HD2 sing N N 403 +PRO CD HD3 sing N N 404 +PRO OXT HXT sing N N 405 +SER N CA sing N N 406 +SER N H sing N N 407 +SER N H2 sing N N 408 +SER CA C sing N N 409 +SER CA CB sing N N 410 +SER CA HA sing N N 411 +SER C O doub N N 412 +SER C OXT sing N N 413 +SER CB OG sing N N 414 +SER CB HB2 sing N N 415 +SER CB HB3 sing N N 416 +SER OG HG sing N N 417 +SER OXT HXT sing N N 418 +THR N CA sing N N 419 +THR N H sing N N 420 +THR N H2 sing N N 421 +THR CA C sing N N 422 +THR CA CB sing N N 423 +THR CA HA sing N N 424 +THR C O doub N N 425 +THR C OXT sing N N 426 +THR CB OG1 sing N N 427 +THR CB CG2 sing N N 428 +THR CB HB sing N N 429 +THR OG1 HG1 sing N N 430 +THR CG2 HG21 sing N N 431 +THR CG2 HG22 sing N N 432 +THR CG2 HG23 sing N N 433 +THR OXT HXT sing N N 434 +TRP N CA sing N N 435 +TRP N H sing N N 436 +TRP N H2 sing N N 437 +TRP CA C sing N N 438 +TRP CA CB sing N N 439 +TRP CA HA sing N N 440 +TRP C O doub N N 441 +TRP C OXT sing N N 442 +TRP CB CG sing N N 443 +TRP CB HB2 sing N N 444 +TRP CB HB3 sing N N 445 +TRP CG CD1 doub Y N 446 +TRP CG CD2 sing Y N 447 +TRP CD1 NE1 sing Y N 448 +TRP CD1 HD1 sing N N 449 +TRP CD2 CE2 doub Y N 450 +TRP CD2 CE3 sing Y N 451 +TRP NE1 CE2 sing Y N 452 +TRP NE1 HE1 sing N N 453 +TRP CE2 CZ2 sing Y N 454 +TRP CE3 CZ3 doub Y N 455 +TRP CE3 HE3 sing N N 456 +TRP CZ2 CH2 doub Y N 457 +TRP CZ2 HZ2 sing N N 458 +TRP CZ3 CH2 sing Y N 459 +TRP CZ3 HZ3 sing N N 460 +TRP CH2 HH2 sing N N 461 +TRP OXT HXT sing N N 462 +TYR N CA sing N N 463 +TYR N H sing N N 464 +TYR N H2 sing N N 465 +TYR CA C sing N N 466 +TYR CA CB sing N N 467 +TYR CA HA sing N N 468 +TYR C O doub N N 469 +TYR C OXT sing N N 470 +TYR CB CG sing N N 471 +TYR CB HB2 sing N N 472 +TYR CB HB3 sing N N 473 +TYR CG CD1 doub Y N 474 +TYR CG CD2 sing Y N 475 +TYR CD1 CE1 sing Y N 476 +TYR CD1 HD1 sing N N 477 +TYR CD2 CE2 doub Y N 478 +TYR CD2 HD2 sing N N 479 +TYR CE1 CZ doub Y N 480 +TYR CE1 HE1 sing N N 481 +TYR CE2 CZ sing Y N 482 +TYR CE2 HE2 sing N N 483 +TYR CZ OH sing N N 484 +TYR OH HH sing N N 485 +TYR OXT HXT sing N N 486 +U OP3 P sing N N 487 +U OP3 HOP3 sing N N 488 +U P OP1 doub N N 489 +U P OP2 sing N N 490 +U P "O5'" sing N N 491 +U OP2 HOP2 sing N N 492 +U "O5'" "C5'" sing N N 493 +U "C5'" "C4'" sing N N 494 +U "C5'" "H5'" sing N N 495 +U "C5'" "H5''" sing N N 496 +U "C4'" "O4'" sing N N 497 +U "C4'" "C3'" sing N N 498 +U "C4'" "H4'" sing N N 499 +U "O4'" "C1'" sing N N 500 +U "C3'" "O3'" sing N N 501 +U "C3'" "C2'" sing N N 502 +U "C3'" "H3'" sing N N 503 +U "O3'" "HO3'" sing N N 504 +U "C2'" "O2'" sing N N 505 +U "C2'" "C1'" sing N N 506 +U "C2'" "H2'" sing N N 507 +U "O2'" "HO2'" sing N N 508 +U "C1'" N1 sing N N 509 +U "C1'" "H1'" sing N N 510 +U N1 C2 sing N N 511 +U N1 C6 sing N N 512 +U C2 O2 doub N N 513 +U C2 N3 sing N N 514 +U N3 C4 sing N N 515 +U N3 H3 sing N N 516 +U C4 O4 doub N N 517 +U C4 C5 sing N N 518 +U C5 C6 doub N N 519 +U C5 H5 sing N N 520 +U C6 H6 sing N N 521 +VAL N CA sing N N 522 +VAL N H sing N N 523 +VAL N H2 sing N N 524 +VAL CA C sing N N 525 +VAL CA CB sing N N 526 +VAL CA HA sing N N 527 +VAL C O doub N N 528 +VAL C OXT sing N N 529 +VAL CB CG1 sing N N 530 +VAL CB CG2 sing N N 531 +VAL CB HB sing N N 532 +VAL CG1 HG11 sing N N 533 +VAL CG1 HG12 sing N N 534 +VAL CG1 HG13 sing N N 535 +VAL CG2 HG21 sing N N 536 +VAL CG2 HG22 sing N N 537 +VAL CG2 HG23 sing N N 538 +VAL OXT HXT sing N N 539 +# +_ndb_struct_conf_na.entry_id 2IZ9 +_ndb_struct_conf_na.feature 'a-form double helix' +# +loop_ +_ndb_struct_na_base_pair.model_number +_ndb_struct_na_base_pair.i_label_asym_id +_ndb_struct_na_base_pair.i_label_comp_id +_ndb_struct_na_base_pair.i_label_seq_id +_ndb_struct_na_base_pair.i_symmetry +_ndb_struct_na_base_pair.j_label_asym_id +_ndb_struct_na_base_pair.j_label_comp_id +_ndb_struct_na_base_pair.j_label_seq_id +_ndb_struct_na_base_pair.j_symmetry +_ndb_struct_na_base_pair.shear +_ndb_struct_na_base_pair.stretch +_ndb_struct_na_base_pair.stagger +_ndb_struct_na_base_pair.buckle +_ndb_struct_na_base_pair.propeller +_ndb_struct_na_base_pair.opening +_ndb_struct_na_base_pair.pair_number +_ndb_struct_na_base_pair.pair_name +_ndb_struct_na_base_pair.i_auth_asym_id +_ndb_struct_na_base_pair.i_auth_seq_id +_ndb_struct_na_base_pair.i_PDB_ins_code +_ndb_struct_na_base_pair.j_auth_asym_id +_ndb_struct_na_base_pair.j_auth_seq_id +_ndb_struct_na_base_pair.j_PDB_ins_code +_ndb_struct_na_base_pair.hbond_type_28 +_ndb_struct_na_base_pair.hbond_type_12 +1 D A 3 1_555 D U 17 1_555 0.751 0.652 0.804 -2.821 -14.852 12.189 1 R_A3:U17_R R 3 ? R 17 ? ? ? +1 D U 4 1_555 D A 16 1_555 0.192 -0.246 0.088 -0.444 -8.593 8.769 2 R_U4:A16_R R 4 ? R 16 ? 20 1 +1 D G 5 1_555 D C 15 1_555 -0.543 -0.425 -0.552 3.367 -4.589 -0.818 3 R_G5:C15_R R 5 ? R 15 ? 19 1 +1 D G 7 1_555 D C 14 1_555 -0.244 -0.258 0.191 -0.734 -11.541 -12.880 4 R_G7:C14_R R 7 ? R 14 ? 19 1 +1 D G 8 1_555 D C 13 1_555 -0.197 -0.123 -0.043 -0.994 2.268 1.352 5 R_G8:C13_R R 8 ? R 13 ? 19 1 +1 E U 4 1_555 E A 16 1_555 0.243 -0.180 -0.169 -1.928 -2.850 9.338 6 S_U4:A16_S S 4 ? S 16 ? 20 1 +1 E G 5 1_555 E C 15 1_555 -0.439 -0.284 -0.134 7.727 -1.539 0.043 7 S_G5:C15_S S 5 ? S 15 ? 19 1 +1 E G 7 1_555 E C 14 1_555 0.035 0.047 -0.106 -9.479 -11.767 -10.556 8 S_G7:C14_S S 7 ? S 14 ? 19 1 +1 E G 8 1_555 E C 13 1_555 0.206 0.032 0.095 1.882 1.877 2.045 9 S_G8:C13_S S 8 ? S 13 ? 19 1 +# +loop_ +_ndb_struct_na_base_pair_step.model_number +_ndb_struct_na_base_pair_step.i_label_asym_id_1 +_ndb_struct_na_base_pair_step.i_label_comp_id_1 +_ndb_struct_na_base_pair_step.i_label_seq_id_1 +_ndb_struct_na_base_pair_step.i_symmetry_1 +_ndb_struct_na_base_pair_step.j_label_asym_id_1 +_ndb_struct_na_base_pair_step.j_label_comp_id_1 +_ndb_struct_na_base_pair_step.j_label_seq_id_1 +_ndb_struct_na_base_pair_step.j_symmetry_1 +_ndb_struct_na_base_pair_step.i_label_asym_id_2 +_ndb_struct_na_base_pair_step.i_label_comp_id_2 +_ndb_struct_na_base_pair_step.i_label_seq_id_2 +_ndb_struct_na_base_pair_step.i_symmetry_2 +_ndb_struct_na_base_pair_step.j_label_asym_id_2 +_ndb_struct_na_base_pair_step.j_label_comp_id_2 +_ndb_struct_na_base_pair_step.j_label_seq_id_2 +_ndb_struct_na_base_pair_step.j_symmetry_2 +_ndb_struct_na_base_pair_step.shift +_ndb_struct_na_base_pair_step.slide +_ndb_struct_na_base_pair_step.rise +_ndb_struct_na_base_pair_step.tilt +_ndb_struct_na_base_pair_step.roll +_ndb_struct_na_base_pair_step.twist +_ndb_struct_na_base_pair_step.x_displacement +_ndb_struct_na_base_pair_step.y_displacement +_ndb_struct_na_base_pair_step.helical_rise +_ndb_struct_na_base_pair_step.inclination +_ndb_struct_na_base_pair_step.tip +_ndb_struct_na_base_pair_step.helical_twist +_ndb_struct_na_base_pair_step.step_number +_ndb_struct_na_base_pair_step.step_name +_ndb_struct_na_base_pair_step.i_auth_asym_id_1 +_ndb_struct_na_base_pair_step.i_auth_seq_id_1 +_ndb_struct_na_base_pair_step.i_PDB_ins_code_1 +_ndb_struct_na_base_pair_step.j_auth_asym_id_1 +_ndb_struct_na_base_pair_step.j_auth_seq_id_1 +_ndb_struct_na_base_pair_step.j_PDB_ins_code_1 +_ndb_struct_na_base_pair_step.i_auth_asym_id_2 +_ndb_struct_na_base_pair_step.i_auth_seq_id_2 +_ndb_struct_na_base_pair_step.i_PDB_ins_code_2 +_ndb_struct_na_base_pair_step.j_auth_asym_id_2 +_ndb_struct_na_base_pair_step.j_auth_seq_id_2 +_ndb_struct_na_base_pair_step.j_PDB_ins_code_2 +1 D A 3 1_555 D U 17 1_555 D U 4 1_555 D A 16 1_555 -0.804 -1.351 3.102 5.479 9.176 31.301 -3.732 2.224 2.448 16.419 -9.803 +33.032 1 RR_A3U4:A16U17_RR R 3 ? R 17 ? R 4 ? R 16 ? +1 D U 4 1_555 D A 16 1_555 D G 5 1_555 D C 15 1_555 -0.246 -1.003 3.207 2.763 11.230 28.690 -3.895 0.956 2.605 21.588 -5.312 +30.888 2 RR_U4G5:C15A16_RR R 4 ? R 16 ? R 5 ? R 15 ? +1 D G 5 1_555 D C 15 1_555 D G 7 1_555 D C 14 1_555 -0.692 -2.670 3.374 -6.231 6.645 33.028 -5.556 0.219 2.878 11.420 10.709 +34.228 3 RR_G5G7:C14C15_RR R 5 ? R 15 ? R 7 ? R 14 ? +1 D G 7 1_555 D C 14 1_555 D G 8 1_555 D C 13 1_555 0.153 -1.748 3.234 0.926 4.412 35.492 -3.455 -0.122 3.005 7.201 -1.511 +35.768 4 RR_G7G8:C13C14_RR R 7 ? R 14 ? R 8 ? R 13 ? +1 E U 4 1_555 E A 16 1_555 E G 5 1_555 E C 15 1_555 -0.050 -1.004 3.086 0.689 4.073 29.215 -2.772 0.233 2.920 8.024 -1.358 +29.499 5 SS_U4G5:C15A16_SS S 4 ? S 16 ? S 5 ? S 15 ? +1 E G 5 1_555 E C 15 1_555 E G 7 1_555 E C 14 1_555 -0.586 -2.742 3.679 -1.832 13.265 35.361 -5.930 0.672 2.549 20.935 2.890 +37.736 6 SS_G5G7:C14C15_SS S 5 ? S 15 ? S 7 ? S 14 ? +1 E G 7 1_555 E C 14 1_555 E G 8 1_555 E C 13 1_555 -0.120 -1.593 2.802 -1.547 1.236 36.567 -2.679 0.011 2.751 1.969 2.464 +36.618 7 SS_G7G8:C13C14_SS S 7 ? S 14 ? S 8 ? S 13 ? +# +_pdbx_initial_refinement_model.accession_code ? +_pdbx_initial_refinement_model.id 1 +_pdbx_initial_refinement_model.entity_id_list ? +_pdbx_initial_refinement_model.type other +_pdbx_initial_refinement_model.source_name ? +_pdbx_initial_refinement_model.details 'MS2 RECOMBINANT CAPSIDS' +# +_atom_sites.entry_id 2IZ9 +_atom_sites.fract_transf_matrix[1][1] 0.003472 +_atom_sites.fract_transf_matrix[1][2] 0.002005 +_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] 0.004009 +_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] 0.001531 +_atom_sites.fract_transf_vector[1] 0.00000 +_atom_sites.fract_transf_vector[2] 0.00000 +_atom_sites.fract_transf_vector[3] 0.00000 +# +loop_ +_atom_type.symbol +C +N +O +P +S +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +_atom_site.pdbx_formal_charge +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.pdbx_PDB_model_num +ATOM 1 N N . ALA A 1 1 ? -115.344 -65.744 -16.977 1.00 42.13 ? 1 ALA A N 1 +ATOM 2 C CA . ALA A 1 1 ? -115.096 -64.500 -16.197 1.00 42.55 ? 1 ALA A CA 1 +ATOM 3 C C . ALA A 1 1 ? -113.811 -63.775 -16.621 1.00 42.74 ? 1 ALA A C 1 +ATOM 4 O O . ALA A 1 1 ? -112.807 -64.386 -17.025 1.00 44.87 ? 1 ALA A O 1 +ATOM 5 C CB . ALA A 1 1 ? -115.047 -64.816 -14.691 1.00 42.62 ? 1 ALA A CB 1 +ATOM 6 N N . SER A 1 2 ? -113.872 -62.457 -16.518 1.00 38.99 ? 2 SER A N 1 +ATOM 7 C CA . SER A 1 2 ? -112.786 -61.557 -16.849 1.00 35.36 ? 2 SER A CA 1 +ATOM 8 C C . SER A 1 2 ? -113.485 -60.245 -16.635 1.00 34.39 ? 2 SER A C 1 +ATOM 9 O O . SER A 1 2 ? -114.447 -59.952 -17.339 1.00 36.71 ? 2 SER A O 1 +ATOM 10 C CB . SER A 1 2 ? -112.382 -61.681 -18.311 1.00 33.52 ? 2 SER A CB 1 +ATOM 11 O OG . SER A 1 2 ? -111.511 -60.616 -18.664 1.00 33.25 ? 2 SER A OG 1 +ATOM 12 N N . ASN A 1 3 ? -113.047 -59.466 -15.651 1.00 30.36 ? 3 ASN A N 1 +ATOM 13 C CA . ASN A 1 3 ? -113.713 -58.206 -15.405 1.00 27.36 ? 3 ASN A CA 1 +ATOM 14 C C . ASN A 1 3 ? -113.241 -57.130 -16.354 1.00 26.69 ? 3 ASN A C 1 +ATOM 15 O O . ASN A 1 3 ? -113.768 -56.018 -16.348 1.00 27.57 ? 3 ASN A O 1 +ATOM 16 C CB . ASN A 1 3 ? -113.522 -57.749 -13.957 1.00 27.23 ? 3 ASN A CB 1 +ATOM 17 C CG . ASN A 1 3 ? -112.121 -57.955 -13.461 1.00 26.42 ? 3 ASN A CG 1 +ATOM 18 O OD1 . ASN A 1 3 ? -111.162 -57.815 -14.205 1.00 29.29 ? 3 ASN A OD1 1 +ATOM 19 N ND2 . ASN A 1 3 ? -111.991 -58.276 -12.185 1.00 28.28 ? 3 ASN A ND2 1 +ATOM 20 N N . PHE A 1 4 ? -112.261 -57.458 -17.189 1.00 24.86 ? 4 PHE A N 1 +ATOM 21 C CA . PHE A 1 4 ? -111.750 -56.468 -18.118 1.00 23.85 ? 4 PHE A CA 1 +ATOM 22 C C . PHE A 1 4 ? -112.658 -56.380 -19.335 1.00 24.65 ? 4 PHE A C 1 +ATOM 23 O O . PHE A 1 4 ? -112.333 -56.875 -20.419 1.00 26.22 ? 4 PHE A O 1 +ATOM 24 C CB . PHE A 1 4 ? -110.322 -56.813 -18.532 1.00 21.17 ? 4 PHE A CB 1 +ATOM 25 C CG . PHE A 1 4 ? -109.533 -55.633 -19.000 1.00 19.40 ? 4 PHE A CG 1 +ATOM 26 C CD1 . PHE A 1 4 ? -110.079 -54.350 -18.951 1.00 19.70 ? 4 PHE A CD1 1 +ATOM 27 C CD2 . PHE A 1 4 ? -108.241 -55.790 -19.477 1.00 18.33 ? 4 PHE A CD2 1 +ATOM 28 C CE1 . PHE A 1 4 ? -109.346 -53.237 -19.368 1.00 18.78 ? 4 PHE A CE1 1 +ATOM 29 C CE2 . PHE A 1 4 ? -107.494 -54.678 -19.899 1.00 18.56 ? 4 PHE A CE2 1 +ATOM 30 C CZ . PHE A 1 4 ? -108.050 -53.399 -19.844 1.00 17.68 ? 4 PHE A CZ 1 +ATOM 31 N N . THR A 1 5 ? -113.803 -55.736 -19.139 1.00 24.61 ? 5 THR A N 1 +ATOM 32 C CA . THR A 1 5 ? -114.802 -55.570 -20.186 1.00 25.05 ? 5 THR A CA 1 +ATOM 33 C C . THR A 1 5 ? -115.239 -54.118 -20.345 1.00 25.63 ? 5 THR A C 1 +ATOM 34 O O . THR A 1 5 ? -115.009 -53.287 -19.470 1.00 26.52 ? 5 THR A O 1 +ATOM 35 C CB . THR A 1 5 ? -116.037 -56.403 -19.873 1.00 24.31 ? 5 THR A CB 1 +ATOM 36 O OG1 . THR A 1 5 ? -116.660 -55.899 -18.686 1.00 24.64 ? 5 THR A OG1 1 +ATOM 37 C CG2 . THR A 1 5 ? -115.643 -57.847 -19.645 1.00 24.90 ? 5 THR A CG2 1 +ATOM 38 N N . GLN A 1 6 ? -115.884 -53.819 -21.466 1.00 25.84 ? 6 GLN A N 1 +ATOM 39 C CA . GLN A 1 6 ? -116.336 -52.466 -21.730 1.00 25.67 ? 6 GLN A CA 1 +ATOM 40 C C . GLN A 1 6 ? -117.532 -52.137 -20.850 1.00 23.78 ? 6 GLN A C 1 +ATOM 41 O O . GLN A 1 6 ? -118.241 -53.038 -20.402 1.00 23.75 ? 6 GLN A O 1 +ATOM 42 C CB . GLN A 1 6 ? -116.723 -52.322 -23.195 1.00 27.10 ? 6 GLN A CB 1 +ATOM 43 C CG . GLN A 1 6 ? -118.181 -52.597 -23.480 1.00 32.28 ? 6 GLN A CG 1 +ATOM 44 C CD . GLN A 1 6 ? -118.525 -52.348 -24.932 1.00 36.46 ? 6 GLN A CD 1 +ATOM 45 O OE1 . GLN A 1 6 ? -118.400 -53.237 -25.777 1.00 39.74 ? 6 GLN A OE1 1 +ATOM 46 N NE2 . GLN A 1 6 ? -118.937 -51.122 -25.238 1.00 37.55 ? 6 GLN A NE2 1 +ATOM 47 N N . PHE A 1 7 ? -117.753 -50.850 -20.599 1.00 21.40 ? 7 PHE A N 1 +ATOM 48 C CA . PHE A 1 7 ? -118.872 -50.435 -19.772 1.00 19.91 ? 7 PHE A CA 1 +ATOM 49 C C . PHE A 1 7 ? -119.297 -49.010 -20.082 1.00 19.67 ? 7 PHE A C 1 +ATOM 50 O O . PHE A 1 7 ? -118.554 -48.253 -20.704 1.00 19.93 ? 7 PHE A O 1 +ATOM 51 C CB . PHE A 1 7 ? -118.513 -50.583 -18.292 1.00 19.88 ? 7 PHE A CB 1 +ATOM 52 C CG . PHE A 1 7 ? -117.425 -49.655 -17.818 1.00 20.77 ? 7 PHE A CG 1 +ATOM 53 C CD1 . PHE A 1 7 ? -116.087 -50.041 -17.880 1.00 21.76 ? 7 PHE A CD1 1 +ATOM 54 C CD2 . PHE A 1 7 ? -117.739 -48.418 -17.254 1.00 20.47 ? 7 PHE A CD2 1 +ATOM 55 C CE1 . PHE A 1 7 ? -115.075 -49.207 -17.380 1.00 20.89 ? 7 PHE A CE1 1 +ATOM 56 C CE2 . PHE A 1 7 ? -116.736 -47.583 -16.752 1.00 20.37 ? 7 PHE A CE2 1 +ATOM 57 C CZ . PHE A 1 7 ? -115.406 -47.976 -16.812 1.00 19.81 ? 7 PHE A CZ 1 +ATOM 58 N N . VAL A 1 8 ? -120.506 -48.651 -19.659 1.00 19.04 ? 8 VAL A N 1 +ATOM 59 C CA . VAL A 1 8 ? -121.038 -47.315 -19.902 1.00 18.81 ? 8 VAL A CA 1 +ATOM 60 C C . VAL A 1 8 ? -120.546 -46.329 -18.850 1.00 19.57 ? 8 VAL A C 1 +ATOM 61 O O . VAL A 1 8 ? -120.971 -46.387 -17.694 1.00 19.61 ? 8 VAL A O 1 +ATOM 62 C CB . VAL A 1 8 ? -122.584 -47.326 -19.885 1.00 17.05 ? 8 VAL A CB 1 +ATOM 63 C CG1 . VAL A 1 8 ? -123.120 -45.917 -20.017 1.00 16.81 ? 8 VAL A CG1 1 +ATOM 64 C CG2 . VAL A 1 8 ? -123.098 -48.176 -21.011 1.00 14.83 ? 8 VAL A CG2 1 +ATOM 65 N N . LEU A 1 9 ? -119.657 -45.424 -19.244 1.00 19.73 ? 9 LEU A N 1 +ATOM 66 C CA . LEU A 1 9 ? -119.125 -44.446 -18.305 1.00 21.21 ? 9 LEU A CA 1 +ATOM 67 C C . LEU A 1 9 ? -120.142 -43.349 -18.033 1.00 23.56 ? 9 LEU A C 1 +ATOM 68 O O . LEU A 1 9 ? -120.464 -43.059 -16.879 1.00 25.03 ? 9 LEU A O 1 +ATOM 69 C CB . LEU A 1 9 ? -117.846 -43.821 -18.847 1.00 19.96 ? 9 LEU A CB 1 +ATOM 70 C CG . LEU A 1 9 ? -117.130 -42.869 -17.886 1.00 19.61 ? 9 LEU A CG 1 +ATOM 71 C CD1 . LEU A 1 9 ? -116.608 -43.643 -16.679 1.00 17.97 ? 9 LEU A CD1 1 +ATOM 72 C CD2 . LEU A 1 9 ? -115.988 -42.180 -18.620 1.00 19.34 ? 9 LEU A CD2 1 +ATOM 73 N N . VAL A 1 10 ? -120.638 -42.732 -19.103 1.00 25.51 ? 10 VAL A N 1 +ATOM 74 C CA . VAL A 1 10 ? -121.623 -41.662 -18.982 1.00 27.29 ? 10 VAL A CA 1 +ATOM 75 C C . VAL A 1 10 ? -122.960 -42.144 -19.491 1.00 29.63 ? 10 VAL A C 1 +ATOM 76 O O . VAL A 1 10 ? -123.128 -42.397 -20.680 1.00 29.80 ? 10 VAL A O 1 +ATOM 77 C CB . VAL A 1 10 ? -121.237 -40.420 -19.799 1.00 26.38 ? 10 VAL A CB 1 +ATOM 78 C CG1 . VAL A 1 10 ? -122.338 -39.383 -19.695 1.00 24.96 ? 10 VAL A CG1 1 +ATOM 79 C CG2 . VAL A 1 10 ? -119.922 -39.844 -19.299 1.00 25.30 ? 10 VAL A CG2 1 +ATOM 80 N N . ASP A 1 11 ? -123.921 -42.258 -18.590 1.00 32.60 ? 11 ASP A N 1 +ATOM 81 C CA . ASP A 1 11 ? -125.238 -42.723 -18.969 1.00 35.03 ? 11 ASP A CA 1 +ATOM 82 C C . ASP A 1 11 ? -126.189 -41.589 -19.323 1.00 38.02 ? 11 ASP A C 1 +ATOM 83 O O . ASP A 1 11 ? -126.685 -40.887 -18.442 1.00 37.96 ? 11 ASP A O 1 +ATOM 84 C CB . ASP A 1 11 ? -125.832 -43.533 -17.832 1.00 34.70 ? 11 ASP A CB 1 +ATOM 85 C CG . ASP A 1 11 ? -127.179 -44.107 -18.179 1.00 35.67 ? 11 ASP A CG 1 +ATOM 86 O OD1 . ASP A 1 11 ? -127.752 -43.695 -19.209 1.00 37.08 ? 11 ASP A OD1 1 +ATOM 87 O OD2 . ASP A 1 11 ? -127.670 -44.969 -17.417 1.00 36.49 ? 11 ASP A OD2 1 +ATOM 88 N N . ASN A 1 12 ? -126.440 -41.409 -20.614 1.00 41.83 ? 12 ASN A N 1 +ATOM 89 C CA . ASN A 1 12 ? -127.367 -40.379 -21.068 1.00 45.40 ? 12 ASN A CA 1 +ATOM 90 C C . ASN A 1 12 ? -128.622 -41.061 -21.589 1.00 47.41 ? 12 ASN A C 1 +ATOM 91 O O . ASN A 1 12 ? -129.127 -40.736 -22.667 1.00 47.67 ? 12 ASN A O 1 +ATOM 92 C CB . ASN A 1 12 ? -126.743 -39.527 -22.168 1.00 46.33 ? 12 ASN A CB 1 +ATOM 93 C CG . ASN A 1 12 ? -125.698 -38.593 -21.633 1.00 49.09 ? 12 ASN A CG 1 +ATOM 94 O OD1 . ASN A 1 12 ? -125.902 -37.962 -20.588 1.00 50.52 ? 12 ASN A OD1 1 +ATOM 95 N ND2 . ASN A 1 12 ? -124.571 -38.482 -22.338 1.00 49.52 ? 12 ASN A ND2 1 +ATOM 96 N N . GLY A 1 13 ? -129.108 -42.023 -20.809 1.00 49.04 ? 13 GLY A N 1 +ATOM 97 C CA . GLY A 1 13 ? -130.302 -42.755 -21.176 1.00 51.70 ? 13 GLY A CA 1 +ATOM 98 C C . GLY A 1 13 ? -130.312 -43.213 -22.621 1.00 54.02 ? 13 GLY A C 1 +ATOM 99 O O . GLY A 1 13 ? -130.973 -42.606 -23.463 1.00 55.52 ? 13 GLY A O 1 +ATOM 100 N N . GLY A 1 14 ? -129.558 -44.272 -22.907 1.00 54.95 ? 14 GLY A N 1 +ATOM 101 C CA . GLY A 1 14 ? -129.496 -44.837 -24.248 1.00 55.67 ? 14 GLY A CA 1 +ATOM 102 C C . GLY A 1 14 ? -129.151 -43.975 -25.461 1.00 56.33 ? 14 GLY A C 1 +ATOM 103 O O . GLY A 1 14 ? -128.860 -44.527 -26.524 1.00 56.65 ? 14 GLY A O 1 +ATOM 104 N N . THR A 1 15 ? -129.175 -42.647 -25.341 1.00 55.82 ? 15 THR A N 1 +ATOM 105 C CA . THR A 1 15 ? -128.861 -41.802 -26.496 1.00 56.41 ? 15 THR A CA 1 +ATOM 106 C C . THR A 1 15 ? -127.721 -40.819 -26.214 1.00 54.97 ? 15 THR A C 1 +ATOM 107 O O . THR A 1 15 ? -127.896 -39.815 -25.518 1.00 55.29 ? 15 THR A O 1 +ATOM 108 C CB . THR A 1 15 ? -130.113 -41.005 -26.974 1.00 58.55 ? 15 THR A CB 1 +ATOM 109 O OG1 . THR A 1 15 ? -130.377 -39.920 -26.072 1.00 60.79 ? 15 THR A OG1 1 +ATOM 110 C CG2 . THR A 1 15 ? -131.349 -41.924 -27.029 1.00 58.71 ? 15 THR A CG2 1 +ATOM 111 N N . GLY A 1 16 ? -126.550 -41.107 -26.771 1.00 52.53 ? 16 GLY A N 1 +ATOM 112 C CA . GLY A 1 16 ? -125.410 -40.245 -26.533 1.00 48.80 ? 16 GLY A CA 1 +ATOM 113 C C . GLY A 1 16 ? -124.681 -40.715 -25.287 1.00 46.07 ? 16 GLY A C 1 +ATOM 114 O O . GLY A 1 16 ? -124.032 -39.932 -24.588 1.00 46.46 ? 16 GLY A O 1 +ATOM 115 N N . ASP A 1 17 ? -124.815 -42.006 -24.998 1.00 42.23 ? 17 ASP A N 1 +ATOM 116 C CA . ASP A 1 17 ? -124.158 -42.611 -23.854 1.00 38.65 ? 17 ASP A CA 1 +ATOM 117 C C . ASP A 1 17 ? -122.683 -42.679 -24.179 1.00 36.11 ? 17 ASP A C 1 +ATOM 118 O O . ASP A 1 17 ? -122.315 -42.867 -25.337 1.00 36.43 ? 17 ASP A O 1 +ATOM 119 C CB . ASP A 1 17 ? -124.669 -44.031 -23.636 1.00 38.95 ? 17 ASP A CB 1 +ATOM 120 C CG . ASP A 1 17 ? -126.085 -44.067 -23.133 1.00 39.67 ? 17 ASP A CG 1 +ATOM 121 O OD1 . ASP A 1 17 ? -126.699 -42.984 -23.014 1.00 39.25 ? 17 ASP A OD1 1 +ATOM 122 O OD2 . ASP A 1 17 ? -126.585 -45.182 -22.855 1.00 40.90 ? 17 ASP A OD2 1 +ATOM 123 N N . VAL A 1 18 ? -121.832 -42.515 -23.174 1.00 32.63 ? 18 VAL A N 1 +ATOM 124 C CA . VAL A 1 18 ? -120.404 -42.620 -23.416 1.00 28.67 ? 18 VAL A CA 1 +ATOM 125 C C . VAL A 1 18 ? -119.963 -43.971 -22.884 1.00 27.66 ? 18 VAL A C 1 +ATOM 126 O O . VAL A 1 18 ? -119.906 -44.184 -21.673 1.00 26.84 ? 18 VAL A O 1 +ATOM 127 C CB . VAL A 1 18 ? -119.603 -41.519 -22.705 1.00 27.05 ? 18 VAL A CB 1 +ATOM 128 C CG1 . VAL A 1 18 ? -118.109 -41.736 -22.934 1.00 24.20 ? 18 VAL A CG1 1 +ATOM 129 C CG2 . VAL A 1 18 ? -120.027 -40.162 -23.221 1.00 24.02 ? 18 VAL A CG2 1 +ATOM 130 N N . THR A 1 19 ? -119.698 -44.903 -23.789 1.00 27.03 ? 19 THR A N 1 +ATOM 131 C CA . THR A 1 19 ? -119.243 -46.213 -23.363 1.00 26.84 ? 19 THR A CA 1 +ATOM 132 C C . THR A 1 19 ? -117.734 -46.211 -23.562 1.00 26.00 ? 19 THR A C 1 +ATOM 133 O O . THR A 1 19 ? -117.203 -45.614 -24.505 1.00 26.87 ? 19 THR A O 1 +ATOM 134 C CB . THR A 1 19 ? -119.892 -47.367 -24.162 1.00 26.27 ? 19 THR A CB 1 +ATOM 135 O OG1 . THR A 1 19 ? -118.944 -47.895 -25.093 1.00 28.14 ? 19 THR A OG1 1 +ATOM 136 C CG2 . THR A 1 19 ? -121.117 -46.879 -24.908 1.00 26.11 ? 19 THR A CG2 1 +ATOM 137 N N . VAL A 1 20 ? -117.057 -46.886 -22.648 1.00 23.89 ? 20 VAL A N 1 +ATOM 138 C CA . VAL A 1 20 ? -115.618 -46.955 -22.626 1.00 21.70 ? 20 VAL A CA 1 +ATOM 139 C C . VAL A 1 20 ? -115.241 -48.428 -22.827 1.00 20.69 ? 20 VAL A C 1 +ATOM 140 O O . VAL A 1 20 ? -115.963 -49.312 -22.359 1.00 20.47 ? 20 VAL A O 1 +ATOM 141 C CB . VAL A 1 20 ? -115.167 -46.361 -21.267 1.00 21.50 ? 20 VAL A CB 1 +ATOM 142 C CG1 . VAL A 1 20 ? -114.458 -47.380 -20.436 1.00 22.98 ? 20 VAL A CG1 1 +ATOM 143 C CG2 . VAL A 1 20 ? -114.344 -45.117 -21.502 1.00 20.91 ? 20 VAL A CG2 1 +ATOM 144 N N . ALA A 1 21 ? -114.135 -48.692 -23.530 1.00 19.45 ? 21 ALA A N 1 +ATOM 145 C CA . ALA A 1 21 ? -113.708 -50.070 -23.822 1.00 18.74 ? 21 ALA A CA 1 +ATOM 146 C C . ALA A 1 21 ? -112.237 -50.360 -23.536 1.00 19.89 ? 21 ALA A C 1 +ATOM 147 O O . ALA A 1 21 ? -111.389 -49.478 -23.646 1.00 20.76 ? 21 ALA A O 1 +ATOM 148 C CB . ALA A 1 21 ? -114.002 -50.397 -25.269 1.00 14.93 ? 21 ALA A CB 1 +ATOM 149 N N . PRO A 1 22 ? -111.911 -51.618 -23.181 1.00 20.50 ? 22 PRO A N 1 +ATOM 150 C CA . PRO A 1 22 ? -110.526 -51.998 -22.882 1.00 20.10 ? 22 PRO A CA 1 +ATOM 151 C C . PRO A 1 22 ? -109.611 -51.606 -24.025 1.00 21.57 ? 22 PRO A C 1 +ATOM 152 O O . PRO A 1 22 ? -109.935 -51.850 -25.180 1.00 23.44 ? 22 PRO A O 1 +ATOM 153 C CB . PRO A 1 22 ? -110.616 -53.504 -22.717 1.00 19.37 ? 22 PRO A CB 1 +ATOM 154 C CG . PRO A 1 22 ? -112.007 -53.690 -22.156 1.00 19.92 ? 22 PRO A CG 1 +ATOM 155 C CD . PRO A 1 22 ? -112.820 -52.765 -23.015 1.00 19.80 ? 22 PRO A CD 1 +ATOM 156 N N . SER A 1 23 ? -108.471 -51.001 -23.713 1.00 22.38 ? 23 SER A N 1 +ATOM 157 C CA . SER A 1 23 ? -107.552 -50.592 -24.761 1.00 22.65 ? 23 SER A CA 1 +ATOM 158 C C . SER A 1 23 ? -106.091 -50.950 -24.521 1.00 22.62 ? 23 SER A C 1 +ATOM 159 O O . SER A 1 23 ? -105.314 -51.033 -25.473 1.00 24.80 ? 23 SER A O 1 +ATOM 160 C CB . SER A 1 23 ? -107.676 -49.085 -25.005 1.00 23.59 ? 23 SER A CB 1 +ATOM 161 O OG . SER A 1 23 ? -107.460 -48.356 -23.812 1.00 26.40 ? 23 SER A OG 1 +ATOM 162 N N . ASN A 1 24 ? -105.702 -51.169 -23.269 1.00 21.79 ? 24 ASN A N 1 +ATOM 163 C CA . ASN A 1 24 ? -104.314 -51.514 -22.978 1.00 21.92 ? 24 ASN A CA 1 +ATOM 164 C C . ASN A 1 24 ? -104.202 -52.112 -21.580 1.00 23.34 ? 24 ASN A C 1 +ATOM 165 O O . ASN A 1 24 ? -105.038 -51.846 -20.715 1.00 23.63 ? 24 ASN A O 1 +ATOM 166 C CB . ASN A 1 24 ? -103.441 -50.259 -23.062 1.00 20.84 ? 24 ASN A CB 1 +ATOM 167 C CG . ASN A 1 24 ? -101.980 -50.566 -23.354 1.00 21.22 ? 24 ASN A CG 1 +ATOM 168 O OD1 . ASN A 1 24 ? -101.490 -51.659 -23.084 1.00 23.80 ? 24 ASN A OD1 1 +ATOM 169 N ND2 . ASN A 1 24 ? -101.271 -49.586 -23.893 1.00 20.81 ? 24 ASN A ND2 1 +ATOM 170 N N . PHE A 1 25 ? -103.180 -52.938 -21.369 1.00 23.69 ? 25 PHE A N 1 +ATOM 171 C CA . PHE A 1 25 ? -102.942 -53.540 -20.062 1.00 24.06 ? 25 PHE A CA 1 +ATOM 172 C C . PHE A 1 25 ? -101.446 -53.597 -19.817 1.00 25.43 ? 25 PHE A C 1 +ATOM 173 O O . PHE A 1 25 ? -100.972 -54.322 -18.943 1.00 27.50 ? 25 PHE A O 1 +ATOM 174 C CB . PHE A 1 25 ? -103.522 -54.956 -19.973 1.00 22.35 ? 25 PHE A CB 1 +ATOM 175 C CG . PHE A 1 25 ? -103.841 -55.386 -18.562 1.00 21.01 ? 25 PHE A CG 1 +ATOM 176 C CD1 . PHE A 1 25 ? -103.482 -54.580 -17.472 1.00 22.01 ? 25 PHE A CD1 1 +ATOM 177 C CD2 . PHE A 1 25 ? -104.523 -56.569 -18.316 1.00 20.64 ? 25 PHE A CD2 1 +ATOM 178 C CE1 . PHE A 1 25 ? -103.806 -54.945 -16.159 1.00 21.09 ? 25 PHE A CE1 1 +ATOM 179 C CE2 . PHE A 1 25 ? -104.854 -56.946 -17.008 1.00 20.85 ? 25 PHE A CE2 1 +ATOM 180 C CZ . PHE A 1 25 ? -104.493 -56.132 -15.927 1.00 20.97 ? 25 PHE A CZ 1 +ATOM 181 N N . ALA A 1 26 ? -100.707 -52.816 -20.595 1.00 25.63 ? 26 ALA A N 1 +ATOM 182 C CA . ALA A 1 26 ? -99.261 -52.777 -20.472 1.00 25.13 ? 26 ALA A CA 1 +ATOM 183 C C . ALA A 1 26 ? -98.853 -52.225 -19.118 1.00 25.59 ? 26 ALA A C 1 +ATOM 184 O O . ALA A 1 26 ? -99.502 -51.324 -18.585 1.00 24.77 ? 26 ALA A O 1 +ATOM 185 C CB . ALA A 1 26 ? -98.673 -51.931 -21.579 1.00 24.41 ? 26 ALA A CB 1 +ATOM 186 N N . ASN A 1 27 ? -97.786 -52.792 -18.560 1.00 26.96 ? 27 ASN A N 1 +ATOM 187 C CA . ASN A 1 27 ? -97.246 -52.376 -17.269 1.00 27.77 ? 27 ASN A CA 1 +ATOM 188 C C . ASN A 1 27 ? -98.213 -52.491 -16.093 1.00 27.63 ? 27 ASN A C 1 +ATOM 189 O O . ASN A 1 27 ? -98.151 -51.700 -15.149 1.00 28.15 ? 27 ASN A O 1 +ATOM 190 C CB . ASN A 1 27 ? -96.732 -50.946 -17.376 1.00 29.55 ? 27 ASN A CB 1 +ATOM 191 C CG . ASN A 1 27 ? -95.628 -50.812 -18.398 1.00 33.40 ? 27 ASN A CG 1 +ATOM 192 O OD1 . ASN A 1 27 ? -94.545 -51.385 -18.237 1.00 36.04 ? 27 ASN A OD1 1 +ATOM 193 N ND2 . ASN A 1 27 ? -95.894 -50.067 -19.468 1.00 34.59 ? 27 ASN A ND2 1 +ATOM 194 N N . GLY A 1 28 ? -99.102 -53.480 -16.146 1.00 26.63 ? 28 GLY A N 1 +ATOM 195 C CA . GLY A 1 28 ? -100.051 -53.671 -15.063 1.00 25.52 ? 28 GLY A CA 1 +ATOM 196 C C . GLY A 1 28 ? -101.087 -52.573 -14.901 1.00 24.61 ? 28 GLY A C 1 +ATOM 197 O O . GLY A 1 28 ? -101.788 -52.525 -13.890 1.00 26.12 ? 28 GLY A O 1 +ATOM 198 N N . VAL A 1 29 ? -101.192 -51.682 -15.881 1.00 22.77 ? 29 VAL A N 1 +ATOM 199 C CA . VAL A 1 29 ? -102.175 -50.608 -15.805 1.00 20.29 ? 29 VAL A CA 1 +ATOM 200 C C . VAL A 1 29 ? -103.315 -50.863 -16.793 1.00 20.36 ? 29 VAL A C 1 +ATOM 201 O O . VAL A 1 29 ? -103.121 -50.809 -18.011 1.00 20.92 ? 29 VAL A O 1 +ATOM 202 C CB . VAL A 1 29 ? -101.542 -49.239 -16.115 1.00 17.76 ? 29 VAL A CB 1 +ATOM 203 C CG1 . VAL A 1 29 ? -102.593 -48.161 -16.043 1.00 16.30 ? 29 VAL A CG1 1 +ATOM 204 C CG2 . VAL A 1 29 ? -100.440 -48.944 -15.134 1.00 16.12 ? 29 VAL A CG2 1 +ATOM 205 N N . ALA A 1 30 ? -104.499 -51.155 -16.263 1.00 19.18 ? 30 ALA A N 1 +ATOM 206 C CA . ALA A 1 30 ? -105.659 -51.417 -17.102 1.00 19.34 ? 30 ALA A CA 1 +ATOM 207 C C . ALA A 1 30 ? -106.182 -50.092 -17.650 1.00 19.81 ? 30 ALA A C 1 +ATOM 208 O O . ALA A 1 30 ? -106.420 -49.153 -16.887 1.00 19.19 ? 30 ALA A O 1 +ATOM 209 C CB . ALA A 1 30 ? -106.742 -52.123 -16.293 1.00 17.90 ? 30 ALA A CB 1 +ATOM 210 N N . GLU A 1 31 ? -106.358 -50.019 -18.971 1.00 19.54 ? 31 GLU A N 1 +ATOM 211 C CA . GLU A 1 31 ? -106.840 -48.806 -19.619 1.00 18.62 ? 31 GLU A CA 1 +ATOM 212 C C . GLU A 1 31 ? -108.095 -49.024 -20.443 1.00 18.55 ? 31 GLU A C 1 +ATOM 213 O O . GLU A 1 31 ? -108.265 -50.054 -21.080 1.00 19.28 ? 31 GLU A O 1 +ATOM 214 C CB . GLU A 1 31 ? -105.762 -48.225 -20.530 1.00 18.28 ? 31 GLU A CB 1 +ATOM 215 C CG . GLU A 1 31 ? -106.172 -46.935 -21.222 1.00 19.47 ? 31 GLU A CG 1 +ATOM 216 C CD . GLU A 1 31 ? -105.232 -46.559 -22.354 1.00 21.18 ? 31 GLU A CD 1 +ATOM 217 O OE1 . GLU A 1 31 ? -105.352 -47.148 -23.448 1.00 23.17 ? 31 GLU A OE1 1 +ATOM 218 O OE2 . GLU A 1 31 ? -104.365 -45.682 -22.156 1.00 21.83 ? 31 GLU A OE2 1 +ATOM 219 N N . TRP A 1 32 ? -108.965 -48.028 -20.427 1.00 18.45 ? 32 TRP A N 1 +ATOM 220 C CA . TRP A 1 32 ? -110.213 -48.050 -21.174 1.00 18.62 ? 32 TRP A CA 1 +ATOM 221 C C . TRP A 1 32 ? -110.284 -46.684 -21.841 1.00 19.26 ? 32 TRP A C 1 +ATOM 222 O O . TRP A 1 32 ? -109.923 -45.684 -21.226 1.00 21.26 ? 32 TRP A O 1 +ATOM 223 C CB . TRP A 1 32 ? -111.414 -48.138 -20.238 1.00 17.21 ? 32 TRP A CB 1 +ATOM 224 C CG . TRP A 1 32 ? -111.706 -49.441 -19.562 1.00 17.33 ? 32 TRP A CG 1 +ATOM 225 C CD1 . TRP A 1 32 ? -112.654 -50.357 -19.929 1.00 15.82 ? 32 TRP A CD1 1 +ATOM 226 C CD2 . TRP A 1 32 ? -111.173 -49.900 -18.306 1.00 17.19 ? 32 TRP A CD2 1 +ATOM 227 N NE1 . TRP A 1 32 ? -112.754 -51.342 -18.976 1.00 15.33 ? 32 TRP A NE1 1 +ATOM 228 C CE2 . TRP A 1 32 ? -111.857 -51.088 -17.972 1.00 15.95 ? 32 TRP A CE2 1 +ATOM 229 C CE3 . TRP A 1 32 ? -110.188 -49.415 -17.429 1.00 15.55 ? 32 TRP A CE3 1 +ATOM 230 C CZ2 . TRP A 1 32 ? -111.587 -51.804 -16.791 1.00 15.34 ? 32 TRP A CZ2 1 +ATOM 231 C CZ3 . TRP A 1 32 ? -109.922 -50.127 -16.257 1.00 14.28 ? 32 TRP A CZ3 1 +ATOM 232 C CH2 . TRP A 1 32 ? -110.622 -51.307 -15.950 1.00 14.60 ? 32 TRP A CH2 1 +ATOM 233 N N . ILE A 1 33 ? -110.736 -46.625 -23.085 1.00 18.70 ? 33 ILE A N 1 +ATOM 234 C CA . ILE A 1 33 ? -110.878 -45.334 -23.740 1.00 19.61 ? 33 ILE A CA 1 +ATOM 235 C C . ILE A 1 33 ? -112.176 -45.357 -24.520 1.00 20.03 ? 33 ILE A C 1 +ATOM 236 O O . ILE A 1 33 ? -112.629 -46.419 -24.950 1.00 19.68 ? 33 ILE A O 1 +ATOM 237 C CB . ILE A 1 33 ? -109.718 -45.013 -24.722 1.00 20.42 ? 33 ILE A CB 1 +ATOM 238 C CG1 . ILE A 1 33 ? -109.691 -46.033 -25.860 1.00 21.58 ? 33 ILE A CG1 1 +ATOM 239 C CG2 . ILE A 1 33 ? -108.393 -44.983 -23.984 1.00 20.17 ? 33 ILE A CG2 1 +ATOM 240 C CD1 . ILE A 1 33 ? -108.681 -45.699 -26.934 1.00 22.77 ? 33 ILE A CD1 1 +ATOM 241 N N . SER A 1 34 ? -112.790 -44.189 -24.681 1.00 20.59 ? 34 SER A N 1 +ATOM 242 C CA . SER A 1 34 ? -114.027 -44.091 -25.433 1.00 20.84 ? 34 SER A CA 1 +ATOM 243 C C . SER A 1 34 ? -113.616 -44.194 -26.887 1.00 21.90 ? 34 SER A C 1 +ATOM 244 O O . SER A 1 34 ? -112.452 -43.994 -27.228 1.00 21.38 ? 34 SER A O 1 +ATOM 245 C CB . SER A 1 34 ? -114.710 -42.751 -25.193 1.00 20.51 ? 34 SER A CB 1 +ATOM 246 O OG . SER A 1 34 ? -113.947 -41.690 -25.739 1.00 19.72 ? 34 SER A OG 1 +ATOM 247 N N . SER A 1 35 ? -114.579 -44.499 -27.741 1.00 23.54 ? 35 SER A N 1 +ATOM 248 C CA . SER A 1 35 ? -114.332 -44.651 -29.167 1.00 24.05 ? 35 SER A CA 1 +ATOM 249 C C . SER A 1 35 ? -114.121 -43.304 -29.876 1.00 24.64 ? 35 SER A C 1 +ATOM 250 O O . SER A 1 35 ? -115.008 -42.819 -30.575 1.00 25.83 ? 35 SER A O 1 +ATOM 251 C CB . SER A 1 35 ? -115.508 -45.396 -29.781 1.00 23.55 ? 35 SER A CB 1 +ATOM 252 O OG . SER A 1 35 ? -115.282 -45.607 -31.151 1.00 30.42 ? 35 SER A OG 1 +ATOM 253 N N . ASN A 1 36 ? -112.947 -42.707 -29.693 1.00 25.47 ? 36 ASN A N 1 +ATOM 254 C CA . ASN A 1 36 ? -112.617 -41.420 -30.301 1.00 25.46 ? 36 ASN A CA 1 +ATOM 255 C C . ASN A 1 36 ? -111.152 -41.376 -30.680 1.00 25.70 ? 36 ASN A C 1 +ATOM 256 O O . ASN A 1 36 ? -110.396 -42.309 -30.409 1.00 26.32 ? 36 ASN A O 1 +ATOM 257 C CB . ASN A 1 36 ? -112.830 -40.267 -29.320 1.00 26.90 ? 36 ASN A CB 1 +ATOM 258 C CG . ASN A 1 36 ? -114.272 -40.014 -29.014 1.00 29.03 ? 36 ASN A CG 1 +ATOM 259 O OD1 . ASN A 1 36 ? -114.870 -40.685 -28.172 1.00 32.06 ? 36 ASN A OD1 1 +ATOM 260 N ND2 . ASN A 1 36 ? -114.850 -39.035 -29.696 1.00 30.73 ? 36 ASN A ND2 1 +ATOM 261 N N . SER A 1 37 ? -110.752 -40.267 -31.290 1.00 25.35 ? 37 SER A N 1 +ATOM 262 C CA . SER A 1 37 ? -109.360 -40.090 -31.639 1.00 25.52 ? 37 SER A CA 1 +ATOM 263 C C . SER A 1 37 ? -108.710 -40.021 -30.266 1.00 25.49 ? 37 SER A C 1 +ATOM 264 O O . SER A 1 37 ? -109.302 -39.528 -29.312 1.00 24.44 ? 37 SER A O 1 +ATOM 265 C CB . SER A 1 37 ? -109.142 -38.773 -32.390 1.00 25.44 ? 37 SER A CB 1 +ATOM 266 O OG . SER A 1 37 ? -109.292 -37.658 -31.529 1.00 25.95 ? 37 SER A OG 1 +ATOM 267 N N . ARG A 1 38 ? -107.499 -40.534 -30.164 1.00 26.21 ? 38 ARG A N 1 +ATOM 268 C CA . ARG A 1 38 ? -106.782 -40.538 -28.903 1.00 25.55 ? 38 ARG A CA 1 +ATOM 269 C C . ARG A 1 38 ? -106.712 -39.133 -28.277 1.00 25.79 ? 38 ARG A C 1 +ATOM 270 O O . ARG A 1 38 ? -106.506 -38.991 -27.071 1.00 25.78 ? 38 ARG A O 1 +ATOM 271 C CB . ARG A 1 38 ? -105.380 -41.083 -29.147 1.00 26.04 ? 38 ARG A CB 1 +ATOM 272 C CG . ARG A 1 38 ? -104.774 -41.799 -27.975 1.00 26.71 ? 38 ARG A CG 1 +ATOM 273 C CD . ARG A 1 38 ? -105.203 -43.251 -27.868 1.00 24.69 ? 38 ARG A CD 1 +ATOM 274 N NE . ARG A 1 38 ? -104.768 -43.748 -26.569 1.00 26.69 ? 38 ARG A NE 1 +ATOM 275 C CZ . ARG A 1 38 ? -104.945 -44.980 -26.118 1.00 27.85 ? 38 ARG A CZ 1 +ATOM 276 N NH1 . ARG A 1 38 ? -105.556 -45.881 -26.863 1.00 30.01 ? 38 ARG A NH1 1 +ATOM 277 N NH2 . ARG A 1 38 ? -104.525 -45.298 -24.903 1.00 28.15 ? 38 ARG A NH2 1 +ATOM 278 N N . SER A 1 39 ? -106.891 -38.096 -29.090 1.00 25.74 ? 39 SER A N 1 +ATOM 279 C CA . SER A 1 39 ? -106.830 -36.732 -28.578 1.00 25.60 ? 39 SER A CA 1 +ATOM 280 C C . SER A 1 39 ? -108.141 -36.228 -27.969 1.00 25.93 ? 39 SER A C 1 +ATOM 281 O O . SER A 1 39 ? -108.134 -35.276 -27.202 1.00 27.01 ? 39 SER A O 1 +ATOM 282 C CB . SER A 1 39 ? -106.374 -35.771 -29.685 1.00 24.83 ? 39 SER A CB 1 +ATOM 283 O OG . SER A 1 39 ? -107.296 -35.729 -30.759 1.00 26.25 ? 39 SER A OG 1 +ATOM 284 N N . GLN A 1 40 ? -109.263 -36.856 -28.306 1.00 26.12 ? 40 GLN A N 1 +ATOM 285 C CA . GLN A 1 40 ? -110.562 -36.437 -27.777 1.00 26.48 ? 40 GLN A CA 1 +ATOM 286 C C . GLN A 1 40 ? -111.241 -37.504 -26.918 1.00 26.91 ? 40 GLN A C 1 +ATOM 287 O O . GLN A 1 40 ? -112.390 -37.340 -26.503 1.00 29.33 ? 40 GLN A O 1 +ATOM 288 C CB . GLN A 1 40 ? -111.519 -36.114 -28.919 1.00 26.05 ? 40 GLN A CB 1 +ATOM 289 C CG . GLN A 1 40 ? -111.111 -34.992 -29.833 1.00 29.27 ? 40 GLN A CG 1 +ATOM 290 C CD . GLN A 1 40 ? -112.238 -34.586 -30.770 1.00 30.52 ? 40 GLN A CD 1 +ATOM 291 O OE1 . GLN A 1 40 ? -112.949 -35.434 -31.327 1.00 29.87 ? 40 GLN A OE1 1 +ATOM 292 N NE2 . GLN A 1 40 ? -112.396 -33.291 -30.964 1.00 31.83 ? 40 GLN A NE2 1 +ATOM 293 N N . ALA A 1 41 ? -110.538 -38.588 -26.629 1.00 25.93 ? 41 ALA A N 1 +ATOM 294 C CA . ALA A 1 41 ? -111.132 -39.684 -25.878 1.00 24.30 ? 41 ALA A CA 1 +ATOM 295 C C . ALA A 1 41 ? -111.241 -39.587 -24.372 1.00 23.20 ? 41 ALA A C 1 +ATOM 296 O O . ALA A 1 41 ? -110.435 -38.942 -23.701 1.00 21.67 ? 41 ALA A O 1 +ATOM 297 C CB . ALA A 1 41 ? -110.419 -40.970 -26.236 1.00 23.97 ? 41 ALA A CB 1 +ATOM 298 N N . TYR A 1 42 ? -112.269 -40.246 -23.851 1.00 22.62 ? 42 TYR A N 1 +ATOM 299 C CA . TYR A 1 42 ? -112.475 -40.325 -22.422 1.00 22.75 ? 42 TYR A CA 1 +ATOM 300 C C . TYR A 1 42 ? -111.493 -41.419 -22.034 1.00 23.03 ? 42 TYR A C 1 +ATOM 301 O O . TYR A 1 42 ? -111.345 -42.399 -22.761 1.00 23.54 ? 42 TYR A O 1 +ATOM 302 C CB . TYR A 1 42 ? -113.889 -40.788 -22.088 1.00 23.00 ? 42 TYR A CB 1 +ATOM 303 C CG . TYR A 1 42 ? -114.951 -39.720 -22.142 1.00 24.43 ? 42 TYR A CG 1 +ATOM 304 C CD1 . TYR A 1 42 ? -115.356 -39.164 -23.354 1.00 23.68 ? 42 TYR A CD1 1 +ATOM 305 C CD2 . TYR A 1 42 ? -115.595 -39.301 -20.975 1.00 25.42 ? 42 TYR A CD2 1 +ATOM 306 C CE1 . TYR A 1 42 ? -116.386 -38.224 -23.399 1.00 24.77 ? 42 TYR A CE1 1 +ATOM 307 C CE2 . TYR A 1 42 ? -116.624 -38.363 -21.013 1.00 25.75 ? 42 TYR A CE2 1 +ATOM 308 C CZ . TYR A 1 42 ? -117.016 -37.834 -22.225 1.00 26.02 ? 42 TYR A CZ 1 +ATOM 309 O OH . TYR A 1 42 ? -118.062 -36.939 -22.265 1.00 27.54 ? 42 TYR A OH 1 +ATOM 310 N N . LYS A 1 43 ? -110.829 -41.281 -20.897 1.00 21.94 ? 43 LYS A N 1 +ATOM 311 C CA . LYS A 1 43 ? -109.871 -42.301 -20.513 1.00 22.21 ? 43 LYS A CA 1 +ATOM 312 C C . LYS A 1 43 ? -110.050 -42.739 -19.061 1.00 22.53 ? 43 LYS A C 1 +ATOM 313 O O . LYS A 1 43 ? -110.324 -41.925 -18.172 1.00 23.17 ? 43 LYS A O 1 +ATOM 314 C CB . LYS A 1 43 ? -108.464 -41.762 -20.724 1.00 23.08 ? 43 LYS A CB 1 +ATOM 315 C CG . LYS A 1 43 ? -107.373 -42.793 -20.721 1.00 25.55 ? 43 LYS A CG 1 +ATOM 316 C CD . LYS A 1 43 ? -106.065 -42.070 -20.500 1.00 29.31 ? 43 LYS A CD 1 +ATOM 317 C CE . LYS A 1 43 ? -104.920 -42.656 -21.299 1.00 32.23 ? 43 LYS A CE 1 +ATOM 318 N NZ . LYS A 1 43 ? -103.697 -41.827 -21.071 1.00 35.31 ? 43 LYS A NZ 1 +ATOM 319 N N . VAL A 1 44 ? -109.901 -44.038 -18.832 1.00 21.60 ? 44 VAL A N 1 +ATOM 320 C CA . VAL A 1 44 ? -110.039 -44.603 -17.502 1.00 21.05 ? 44 VAL A CA 1 +ATOM 321 C C . VAL A 1 44 ? -108.926 -45.617 -17.294 1.00 20.48 ? 44 VAL A C 1 +ATOM 322 O O . VAL A 1 44 ? -108.717 -46.484 -18.127 1.00 21.12 ? 44 VAL A O 1 +ATOM 323 C CB . VAL A 1 44 ? -111.398 -45.315 -17.339 1.00 21.03 ? 44 VAL A CB 1 +ATOM 324 C CG1 . VAL A 1 44 ? -111.502 -45.922 -15.950 1.00 19.66 ? 44 VAL A CG1 1 +ATOM 325 C CG2 . VAL A 1 44 ? -112.542 -44.332 -17.583 1.00 20.69 ? 44 VAL A CG2 1 +ATOM 326 N N . THR A 1 45 ? -108.205 -45.491 -16.187 1.00 19.66 ? 45 THR A N 1 +ATOM 327 C CA . THR A 1 45 ? -107.121 -46.416 -15.878 1.00 20.46 ? 45 THR A CA 1 +ATOM 328 C C . THR A 1 45 ? -107.245 -46.902 -14.446 1.00 20.86 ? 45 THR A C 1 +ATOM 329 O O . THR A 1 45 ? -107.738 -46.189 -13.570 1.00 20.28 ? 45 THR A O 1 +ATOM 330 C CB . THR A 1 45 ? -105.719 -45.773 -16.064 1.00 20.09 ? 45 THR A CB 1 +ATOM 331 O OG1 . THR A 1 45 ? -105.588 -44.628 -15.210 1.00 22.13 ? 45 THR A OG1 1 +ATOM 332 C CG2 . THR A 1 45 ? -105.518 -45.358 -17.505 1.00 19.66 ? 45 THR A CG2 1 +ATOM 333 N N . CYS A 1 46 ? -106.797 -48.132 -14.218 1.00 21.53 ? 46 CYS A N 1 +ATOM 334 C CA . CYS A 1 46 ? -106.866 -48.748 -12.902 1.00 21.70 ? 46 CYS A CA 1 +ATOM 335 C C . CYS A 1 46 ? -105.667 -49.655 -12.679 1.00 22.59 ? 46 CYS A C 1 +ATOM 336 O O . CYS A 1 46 ? -105.210 -50.323 -13.608 1.00 23.07 ? 46 CYS A O 1 +ATOM 337 C CB . CYS A 1 46 ? -108.154 -49.566 -12.794 1.00 20.80 ? 46 CYS A CB 1 +ATOM 338 S SG . CYS A 1 46 ? -108.340 -50.487 -11.246 1.00 20.93 ? 46 CYS A SG 1 +ATOM 339 N N . SER A 1 47 ? -105.146 -49.666 -11.456 1.00 22.53 ? 47 SER A N 1 +ATOM 340 C CA . SER A 1 47 ? -104.019 -50.530 -11.122 1.00 23.59 ? 47 SER A CA 1 +ATOM 341 C C . SER A 1 47 ? -104.057 -50.826 -9.622 1.00 23.99 ? 47 SER A C 1 +ATOM 342 O O . SER A 1 47 ? -104.543 -50.013 -8.834 1.00 24.28 ? 47 SER A O 1 +ATOM 343 C CB . SER A 1 47 ? -102.692 -49.873 -11.508 1.00 22.53 ? 47 SER A CB 1 +ATOM 344 O OG . SER A 1 47 ? -102.235 -49.002 -10.491 1.00 23.38 ? 47 SER A OG 1 +ATOM 345 N N . VAL A 1 48 ? -103.563 -51.999 -9.237 1.00 24.46 ? 48 VAL A N 1 +ATOM 346 C CA . VAL A 1 48 ? -103.551 -52.413 -7.836 1.00 24.85 ? 48 VAL A CA 1 +ATOM 347 C C . VAL A 1 48 ? -102.156 -52.850 -7.451 1.00 27.26 ? 48 VAL A C 1 +ATOM 348 O O . VAL A 1 48 ? -101.529 -53.620 -8.177 1.00 27.77 ? 48 VAL A O 1 +ATOM 349 C CB . VAL A 1 48 ? -104.431 -53.647 -7.572 1.00 22.92 ? 48 VAL A CB 1 +ATOM 350 C CG1 . VAL A 1 48 ? -104.855 -53.656 -6.134 1.00 23.10 ? 48 VAL A CG1 1 +ATOM 351 C CG2 . VAL A 1 48 ? -105.611 -53.678 -8.494 1.00 23.77 ? 48 VAL A CG2 1 +ATOM 352 N N . ARG A 1 49 ? -101.671 -52.387 -6.311 1.00 29.07 ? 49 ARG A N 1 +ATOM 353 C CA . ARG A 1 49 ? -100.357 -52.807 -5.866 1.00 31.06 ? 49 ARG A CA 1 +ATOM 354 C C . ARG A 1 49 ? -100.415 -53.066 -4.375 1.00 31.25 ? 49 ARG A C 1 +ATOM 355 O O . ARG A 1 49 ? -101.309 -52.587 -3.686 1.00 30.26 ? 49 ARG A O 1 +ATOM 356 C CB . ARG A 1 49 ? -99.296 -51.749 -6.182 1.00 33.96 ? 49 ARG A CB 1 +ATOM 357 C CG . ARG A 1 49 ? -99.296 -50.553 -5.260 1.00 40.71 ? 49 ARG A CG 1 +ATOM 358 C CD . ARG A 1 49 ? -97.977 -49.784 -5.362 1.00 46.71 ? 49 ARG A CD 1 +ATOM 359 N NE . ARG A 1 49 ? -97.950 -48.586 -4.517 1.00 51.28 ? 49 ARG A NE 1 +ATOM 360 C CZ . ARG A 1 49 ? -98.698 -47.500 -4.718 1.00 53.21 ? 49 ARG A CZ 1 +ATOM 361 N NH1 . ARG A 1 49 ? -99.547 -47.440 -5.740 1.00 53.43 ? 49 ARG A NH1 1 +ATOM 362 N NH2 . ARG A 1 49 ? -98.596 -46.464 -3.891 1.00 54.03 ? 49 ARG A NH2 1 +ATOM 363 N N . GLN A 1 50 ? -99.463 -53.850 -3.889 1.00 33.15 ? 50 GLN A N 1 +ATOM 364 C CA . GLN A 1 50 ? -99.363 -54.177 -2.475 1.00 34.71 ? 50 GLN A CA 1 +ATOM 365 C C . GLN A 1 50 ? -98.505 -53.063 -1.878 1.00 36.34 ? 50 GLN A C 1 +ATOM 366 O O . GLN A 1 50 ? -97.322 -53.263 -1.608 1.00 36.73 ? 50 GLN A O 1 +ATOM 367 C CB . GLN A 1 50 ? -98.654 -55.515 -2.324 1.00 34.25 ? 50 GLN A CB 1 +ATOM 368 C CG . GLN A 1 50 ? -98.616 -56.076 -0.928 1.00 36.69 ? 50 GLN A CG 1 +ATOM 369 C CD . GLN A 1 50 ? -99.833 -56.900 -0.612 1.00 38.26 ? 50 GLN A CD 1 +ATOM 370 O OE1 . GLN A 1 50 ? -100.387 -57.574 -1.486 1.00 40.33 ? 50 GLN A OE1 1 +ATOM 371 N NE2 . GLN A 1 50 ? -100.251 -56.873 0.645 1.00 39.36 ? 50 GLN A NE2 1 +ATOM 372 N N . SER A 1 51 ? -99.107 -51.890 -1.684 1.00 37.65 ? 51 SER A N 1 +ATOM 373 C CA . SER A 1 51 ? -98.404 -50.719 -1.156 1.00 39.00 ? 51 SER A CA 1 +ATOM 374 C C . SER A 1 51 ? -97.537 -50.997 0.075 1.00 39.04 ? 51 SER A C 1 +ATOM 375 O O . SER A 1 51 ? -96.365 -50.614 0.125 1.00 41.03 ? 51 SER A O 1 +ATOM 376 C CB . SER A 1 51 ? -99.405 -49.602 -0.838 1.00 39.16 ? 51 SER A CB 1 +ATOM 377 O OG . SER A 1 51 ? -100.248 -49.961 0.239 1.00 40.09 ? 51 SER A OG 1 +ATOM 378 N N . SER A 1 52 ? -98.114 -51.649 1.071 1.00 37.29 ? 52 SER A N 1 +ATOM 379 C CA . SER A 1 52 ? -97.381 -51.970 2.288 1.00 36.38 ? 52 SER A CA 1 +ATOM 380 C C . SER A 1 52 ? -97.420 -53.475 2.493 1.00 36.84 ? 52 SER A C 1 +ATOM 381 O O . SER A 1 52 ? -97.973 -54.216 1.671 1.00 36.60 ? 52 SER A O 1 +ATOM 382 C CB . SER A 1 52 ? -98.020 -51.263 3.493 1.00 35.75 ? 52 SER A CB 1 +ATOM 383 O OG . SER A 1 52 ? -97.981 -52.072 4.663 1.00 35.81 ? 52 SER A OG 1 +ATOM 384 N N . ALA A 1 53 ? -96.827 -53.931 3.586 1.00 36.85 ? 53 ALA A N 1 +ATOM 385 C CA . ALA A 1 53 ? -96.841 -55.348 3.890 1.00 36.88 ? 53 ALA A CA 1 +ATOM 386 C C . ALA A 1 53 ? -98.293 -55.772 4.164 1.00 36.83 ? 53 ALA A C 1 +ATOM 387 O O . ALA A 1 53 ? -98.694 -56.894 3.841 1.00 36.70 ? 53 ALA A O 1 +ATOM 388 C CB . ALA A 1 53 ? -95.971 -55.626 5.110 1.00 36.42 ? 53 ALA A CB 1 +ATOM 389 N N . GLN A 1 54 ? -99.083 -54.854 4.731 1.00 34.94 ? 54 GLN A N 1 +ATOM 390 C CA . GLN A 1 54 ? -100.467 -55.158 5.079 1.00 32.46 ? 54 GLN A CA 1 +ATOM 391 C C . GLN A 1 54 ? -101.556 -54.328 4.398 1.00 31.45 ? 54 GLN A C 1 +ATOM 392 O O . GLN A 1 54 ? -102.700 -54.312 4.858 1.00 30.57 ? 54 GLN A O 1 +ATOM 393 C CB . GLN A 1 54 ? -100.624 -55.059 6.593 1.00 32.07 ? 54 GLN A CB 1 +ATOM 394 C CG . GLN A 1 54 ? -99.423 -55.612 7.344 1.00 31.54 ? 54 GLN A CG 1 +ATOM 395 C CD . GLN A 1 54 ? -99.659 -55.754 8.843 1.00 33.44 ? 54 GLN A CD 1 +ATOM 396 O OE1 . GLN A 1 54 ? -100.310 -54.908 9.479 1.00 33.36 ? 54 GLN A OE1 1 +ATOM 397 N NE2 . GLN A 1 54 ? -99.110 -56.824 9.423 1.00 32.57 ? 54 GLN A NE2 1 +ATOM 398 N N . ASN A 1 55 ? -101.212 -53.653 3.306 1.00 30.06 ? 55 ASN A N 1 +ATOM 399 C CA . ASN A 1 55 ? -102.179 -52.840 2.574 1.00 28.95 ? 55 ASN A CA 1 +ATOM 400 C C . ASN A 1 55 ? -102.118 -53.097 1.089 1.00 27.55 ? 55 ASN A C 1 +ATOM 401 O O . ASN A 1 55 ? -101.075 -53.467 0.546 1.00 28.55 ? 55 ASN A O 1 +ATOM 402 C CB . ASN A 1 55 ? -101.909 -51.350 2.766 1.00 30.52 ? 55 ASN A CB 1 +ATOM 403 C CG . ASN A 1 55 ? -102.294 -50.853 4.132 1.00 34.71 ? 55 ASN A CG 1 +ATOM 404 O OD1 . ASN A 1 55 ? -101.516 -50.161 4.786 1.00 38.60 ? 55 ASN A OD1 1 +ATOM 405 N ND2 . ASN A 1 55 ? -103.506 -51.183 4.574 1.00 37.17 ? 55 ASN A ND2 1 +ATOM 406 N N . ARG A 1 56 ? -103.246 -52.888 0.431 1.00 25.24 ? 56 ARG A N 1 +ATOM 407 C CA . ARG A 1 56 ? -103.315 -53.015 -1.008 1.00 23.96 ? 56 ARG A CA 1 +ATOM 408 C C . ARG A 1 56 ? -103.895 -51.687 -1.426 1.00 23.33 ? 56 ARG A C 1 +ATOM 409 O O . ARG A 1 56 ? -104.790 -51.167 -0.762 1.00 22.19 ? 56 ARG A O 1 +ATOM 410 C CB . ARG A 1 56 ? -104.207 -54.179 -1.417 1.00 23.49 ? 56 ARG A CB 1 +ATOM 411 C CG . ARG A 1 56 ? -103.448 -55.476 -1.384 1.00 24.69 ? 56 ARG A CG 1 +ATOM 412 C CD . ARG A 1 56 ? -104.305 -56.665 -1.701 1.00 25.49 ? 56 ARG A CD 1 +ATOM 413 N NE . ARG A 1 56 ? -104.915 -56.613 -3.027 1.00 27.21 ? 56 ARG A NE 1 +ATOM 414 C CZ . ARG A 1 56 ? -106.198 -56.332 -3.242 1.00 28.88 ? 56 ARG A CZ 1 +ATOM 415 N NH1 . ARG A 1 56 ? -107.010 -56.063 -2.220 1.00 25.72 ? 56 ARG A NH1 1 +ATOM 416 N NH2 . ARG A 1 56 ? -106.682 -56.365 -4.479 1.00 27.97 ? 56 ARG A NH2 1 +ATOM 417 N N . LYS A 1 57 ? -103.376 -51.127 -2.509 1.00 22.72 ? 57 LYS A N 1 +ATOM 418 C CA . LYS A 1 57 ? -103.835 -49.827 -2.946 1.00 21.77 ? 57 LYS A CA 1 +ATOM 419 C C . LYS A 1 57 ? -104.301 -49.762 -4.390 1.00 20.53 ? 57 LYS A C 1 +ATOM 420 O O . LYS A 1 57 ? -103.546 -50.090 -5.304 1.00 20.83 ? 57 LYS A O 1 +ATOM 421 C CB . LYS A 1 57 ? -102.712 -48.819 -2.730 1.00 24.52 ? 57 LYS A CB 1 +ATOM 422 C CG . LYS A 1 57 ? -103.090 -47.388 -3.023 1.00 28.91 ? 57 LYS A CG 1 +ATOM 423 C CD . LYS A 1 57 ? -101.933 -46.472 -2.695 1.00 32.53 ? 57 LYS A CD 1 +ATOM 424 C CE . LYS A 1 57 ? -102.296 -45.017 -2.890 1.00 34.93 ? 57 LYS A CE 1 +ATOM 425 N NZ . LYS A 1 57 ? -101.107 -44.152 -2.632 1.00 37.41 ? 57 LYS A NZ 1 +ATOM 426 N N . TYR A 1 58 ? -105.548 -49.344 -4.595 1.00 18.17 ? 58 TYR A N 1 +ATOM 427 C CA . TYR A 1 58 ? -106.081 -49.196 -5.945 1.00 17.10 ? 58 TYR A CA 1 +ATOM 428 C C . TYR A 1 58 ? -105.876 -47.747 -6.349 1.00 16.98 ? 58 TYR A C 1 +ATOM 429 O O . TYR A 1 58 ? -106.116 -46.840 -5.551 1.00 16.58 ? 58 TYR A O 1 +ATOM 430 C CB . TYR A 1 58 ? -107.583 -49.498 -6.001 1.00 16.69 ? 58 TYR A CB 1 +ATOM 431 C CG . TYR A 1 58 ? -107.960 -50.945 -5.806 1.00 16.39 ? 58 TYR A CG 1 +ATOM 432 C CD1 . TYR A 1 58 ? -107.970 -51.514 -4.537 1.00 15.81 ? 58 TYR A CD1 1 +ATOM 433 C CD2 . TYR A 1 58 ? -108.293 -51.751 -6.895 1.00 15.43 ? 58 TYR A CD2 1 +ATOM 434 C CE1 . TYR A 1 58 ? -108.300 -52.844 -4.355 1.00 15.34 ? 58 TYR A CE1 1 +ATOM 435 C CE2 . TYR A 1 58 ? -108.623 -53.080 -6.720 1.00 15.95 ? 58 TYR A CE2 1 +ATOM 436 C CZ . TYR A 1 58 ? -108.625 -53.621 -5.445 1.00 15.78 ? 58 TYR A CZ 1 +ATOM 437 O OH . TYR A 1 58 ? -108.958 -54.943 -5.256 1.00 15.94 ? 58 TYR A OH 1 +ATOM 438 N N . THR A 1 59 ? -105.419 -47.527 -7.579 1.00 16.99 ? 59 THR A N 1 +ATOM 439 C CA . THR A 1 59 ? -105.222 -46.174 -8.086 1.00 16.70 ? 59 THR A CA 1 +ATOM 440 C C . THR A 1 59 ? -106.090 -46.054 -9.325 1.00 16.97 ? 59 THR A C 1 +ATOM 441 O O . THR A 1 59 ? -105.849 -46.721 -10.330 1.00 18.69 ? 59 THR A O 1 +ATOM 442 C CB . THR A 1 59 ? -103.761 -45.909 -8.466 1.00 15.22 ? 59 THR A CB 1 +ATOM 443 O OG1 . THR A 1 59 ? -102.936 -46.010 -7.302 1.00 15.52 ? 59 THR A OG1 1 +ATOM 444 C CG2 . THR A 1 59 ? -103.615 -44.518 -9.044 1.00 15.82 ? 59 THR A CG2 1 +ATOM 445 N N . ILE A 1 60 ? -107.104 -45.205 -9.249 1.00 16.39 ? 60 ILE A N 1 +ATOM 446 C CA . ILE A 1 60 ? -108.032 -45.029 -10.351 1.00 17.00 ? 60 ILE A CA 1 +ATOM 447 C C . ILE A 1 60 ? -108.015 -43.600 -10.883 1.00 18.08 ? 60 ILE A C 1 +ATOM 448 O O . ILE A 1 60 ? -107.939 -42.636 -10.115 1.00 18.32 ? 60 ILE A O 1 +ATOM 449 C CB . ILE A 1 60 ? -109.440 -45.401 -9.885 1.00 16.81 ? 60 ILE A CB 1 +ATOM 450 C CG1 . ILE A 1 60 ? -109.402 -46.811 -9.280 1.00 17.03 ? 60 ILE A CG1 1 +ATOM 451 C CG2 . ILE A 1 60 ? -110.417 -45.322 -11.039 1.00 15.10 ? 60 ILE A CG2 1 +ATOM 452 C CD1 . ILE A 1 60 ? -110.580 -47.140 -8.376 1.00 16.31 ? 60 ILE A CD1 1 +ATOM 453 N N . LYS A 1 61 ? -108.085 -43.468 -12.204 1.00 19.19 ? 61 LYS A N 1 +ATOM 454 C CA . LYS A 1 61 ? -108.062 -42.161 -12.843 1.00 20.30 ? 61 LYS A CA 1 +ATOM 455 C C . LYS A 1 61 ? -109.038 -42.087 -14.002 1.00 19.98 ? 61 LYS A C 1 +ATOM 456 O O . LYS A 1 61 ? -109.159 -43.020 -14.785 1.00 21.38 ? 61 LYS A O 1 +ATOM 457 C CB . LYS A 1 61 ? -106.645 -41.854 -13.332 1.00 21.66 ? 61 LYS A CB 1 +ATOM 458 C CG . LYS A 1 61 ? -105.624 -41.835 -12.202 1.00 26.03 ? 61 LYS A CG 1 +ATOM 459 C CD . LYS A 1 61 ? -104.200 -41.575 -12.684 1.00 28.06 ? 61 LYS A CD 1 +ATOM 460 C CE . LYS A 1 61 ? -103.230 -41.492 -11.506 1.00 29.34 ? 61 LYS A CE 1 +ATOM 461 N NZ . LYS A 1 61 ? -101.813 -41.353 -11.952 1.00 33.01 ? 61 LYS A NZ 1 +ATOM 462 N N . VAL A 1 62 ? -109.742 -40.968 -14.101 1.00 18.39 ? 62 VAL A N 1 +ATOM 463 C CA . VAL A 1 62 ? -110.692 -40.763 -15.174 1.00 17.14 ? 62 VAL A CA 1 +ATOM 464 C C . VAL A 1 62 ? -110.383 -39.409 -15.791 1.00 17.77 ? 62 VAL A C 1 +ATOM 465 O O . VAL A 1 62 ? -109.968 -38.478 -15.093 1.00 17.22 ? 62 VAL A O 1 +ATOM 466 C CB . VAL A 1 62 ? -112.142 -40.760 -14.649 1.00 16.47 ? 62 VAL A CB 1 +ATOM 467 C CG1 . VAL A 1 62 ? -113.108 -40.574 -15.800 1.00 15.54 ? 62 VAL A CG1 1 +ATOM 468 C CG2 . VAL A 1 62 ? -112.438 -42.051 -13.924 1.00 14.49 ? 62 VAL A CG2 1 +ATOM 469 N N . GLU A 1 63 ? -110.572 -39.312 -17.105 1.00 18.44 ? 63 GLU A N 1 +ATOM 470 C CA . GLU A 1 63 ? -110.330 -38.076 -17.839 1.00 19.09 ? 63 GLU A CA 1 +ATOM 471 C C . GLU A 1 63 ? -111.548 -37.742 -18.668 1.00 19.31 ? 63 GLU A C 1 +ATOM 472 O O . GLU A 1 63 ? -111.915 -38.488 -19.579 1.00 18.96 ? 63 GLU A O 1 +ATOM 473 C CB . GLU A 1 63 ? -109.143 -38.233 -18.771 1.00 19.62 ? 63 GLU A CB 1 +ATOM 474 C CG . GLU A 1 63 ? -107.800 -38.017 -18.128 1.00 21.74 ? 63 GLU A CG 1 +ATOM 475 C CD . GLU A 1 63 ? -106.676 -38.128 -19.138 1.00 24.24 ? 63 GLU A CD 1 +ATOM 476 O OE1 . GLU A 1 63 ? -106.952 -37.939 -20.345 1.00 26.81 ? 63 GLU A OE1 1 +ATOM 477 O OE2 . GLU A 1 63 ? -105.520 -38.395 -18.732 1.00 24.99 ? 63 GLU A OE2 1 +ATOM 478 N N . VAL A 1 64 ? -112.179 -36.620 -18.350 1.00 20.03 ? 64 VAL A N 1 +ATOM 479 C CA . VAL A 1 64 ? -113.356 -36.184 -19.083 1.00 20.24 ? 64 VAL A CA 1 +ATOM 480 C C . VAL A 1 64 ? -112.933 -35.011 -19.952 1.00 21.19 ? 64 VAL A C 1 +ATOM 481 O O . VAL A 1 64 ? -112.505 -33.973 -19.451 1.00 22.05 ? 64 VAL A O 1 +ATOM 482 C CB . VAL A 1 64 ? -114.475 -35.756 -18.127 1.00 18.49 ? 64 VAL A CB 1 +ATOM 483 C CG1 . VAL A 1 64 ? -115.670 -35.262 -18.909 1.00 17.37 ? 64 VAL A CG1 1 +ATOM 484 C CG2 . VAL A 1 64 ? -114.866 -36.931 -17.250 1.00 18.01 ? 64 VAL A CG2 1 +ATOM 485 N N . PRO A 1 65 ? -113.028 -35.171 -21.277 1.00 21.30 ? 65 PRO A N 1 +ATOM 486 C CA . PRO A 1 65 ? -112.639 -34.105 -22.197 1.00 20.84 ? 65 PRO A CA 1 +ATOM 487 C C . PRO A 1 65 ? -113.780 -33.220 -22.663 1.00 21.87 ? 65 PRO A C 1 +ATOM 488 O O . PRO A 1 65 ? -114.944 -33.628 -22.684 1.00 22.77 ? 65 PRO A O 1 +ATOM 489 C CB . PRO A 1 65 ? -112.061 -34.881 -23.360 1.00 20.71 ? 65 PRO A CB 1 +ATOM 490 C CG . PRO A 1 65 ? -113.055 -36.000 -23.475 1.00 20.91 ? 65 PRO A CG 1 +ATOM 491 C CD . PRO A 1 65 ? -113.224 -36.433 -22.015 1.00 20.87 ? 65 PRO A CD 1 +ATOM 492 N N . LYS A 1 66 ? -113.422 -31.999 -23.042 1.00 23.02 ? 66 LYS A N 1 +ATOM 493 C CA . LYS A 1 66 ? -114.364 -31.042 -23.599 1.00 23.16 ? 66 LYS A CA 1 +ATOM 494 C C . LYS A 1 66 ? -113.900 -30.985 -25.053 1.00 23.47 ? 66 LYS A C 1 +ATOM 495 O O . LYS A 1 66 ? -112.944 -30.279 -25.379 1.00 23.66 ? 66 LYS A O 1 +ATOM 496 C CB . LYS A 1 66 ? -114.187 -29.682 -22.946 1.00 22.45 ? 66 LYS A CB 1 +ATOM 497 C CG . LYS A 1 66 ? -115.115 -28.629 -23.504 1.00 22.01 ? 66 LYS A CG 1 +ATOM 498 C CD . LYS A 1 66 ? -116.560 -29.001 -23.276 1.00 21.61 ? 66 LYS A CD 1 +ATOM 499 C CE . LYS A 1 66 ? -117.474 -27.842 -23.602 1.00 22.26 ? 66 LYS A CE 1 +ATOM 500 N NZ . LYS A 1 66 ? -118.892 -28.132 -23.257 1.00 23.86 ? 66 LYS A NZ 1 +ATOM 501 N N . VAL A 1 67 ? -114.551 -31.756 -25.915 1.00 23.40 ? 67 VAL A N 1 +ATOM 502 C CA . VAL A 1 67 ? -114.166 -31.815 -27.323 1.00 24.03 ? 67 VAL A CA 1 +ATOM 503 C C . VAL A 1 67 ? -114.360 -30.521 -28.116 1.00 25.36 ? 67 VAL A C 1 +ATOM 504 O O . VAL A 1 67 ? -115.338 -29.794 -27.932 1.00 25.15 ? 67 VAL A O 1 +ATOM 505 C CB . VAL A 1 67 ? -114.922 -32.947 -28.053 1.00 21.87 ? 67 VAL A CB 1 +ATOM 506 C CG1 . VAL A 1 67 ? -114.609 -34.292 -27.413 1.00 21.32 ? 67 VAL A CG1 1 +ATOM 507 C CG2 . VAL A 1 67 ? -116.403 -32.680 -28.007 1.00 22.00 ? 67 VAL A CG2 1 +ATOM 508 N N . ALA A 1 68 ? -113.421 -30.252 -29.016 1.00 27.40 ? 68 ALA A N 1 +ATOM 509 C CA . ALA A 1 68 ? -113.475 -29.059 -29.846 1.00 29.43 ? 68 ALA A CA 1 +ATOM 510 C C . ALA A 1 68 ? -112.671 -29.261 -31.128 1.00 31.08 ? 68 ALA A C 1 +ATOM 511 O O . ALA A 1 68 ? -111.902 -30.215 -31.239 1.00 30.69 ? 68 ALA A O 1 +ATOM 512 C CB . ALA A 1 68 ? -112.925 -27.876 -29.072 1.00 28.91 ? 68 ALA A CB 1 +ATOM 513 N N . THR A 1 69 ? -112.864 -28.372 -32.100 1.00 32.95 ? 69 THR A N 1 +ATOM 514 C CA . THR A 1 69 ? -112.127 -28.442 -33.359 1.00 34.20 ? 69 THR A CA 1 +ATOM 515 C C . THR A 1 69 ? -111.254 -27.203 -33.456 1.00 36.06 ? 69 THR A C 1 +ATOM 516 O O . THR A 1 69 ? -111.759 -26.083 -33.509 1.00 37.47 ? 69 THR A O 1 +ATOM 517 C CB . THR A 1 69 ? -113.058 -28.466 -34.567 1.00 33.14 ? 69 THR A CB 1 +ATOM 518 O OG1 . THR A 1 69 ? -113.894 -29.627 -34.502 1.00 34.36 ? 69 THR A OG1 1 +ATOM 519 C CG2 . THR A 1 69 ? -112.249 -28.507 -35.853 1.00 33.36 ? 69 THR A CG2 1 +ATOM 520 N N . GLN A 1 70 ? -109.945 -27.398 -33.479 1.00 37.43 ? 70 GLN A N 1 +ATOM 521 C CA . GLN A 1 70 ? -109.046 -26.265 -33.547 1.00 40.13 ? 70 GLN A CA 1 +ATOM 522 C C . GLN A 1 70 ? -108.303 -26.157 -34.860 1.00 41.89 ? 70 GLN A C 1 +ATOM 523 O O . GLN A 1 70 ? -107.890 -27.161 -35.443 1.00 43.47 ? 70 GLN A O 1 +ATOM 524 C CB . GLN A 1 70 ? -108.032 -26.320 -32.413 1.00 41.01 ? 70 GLN A CB 1 +ATOM 525 C CG . GLN A 1 70 ? -107.004 -25.215 -32.507 1.00 44.08 ? 70 GLN A CG 1 +ATOM 526 C CD . GLN A 1 70 ? -105.980 -25.281 -31.405 1.00 46.24 ? 70 GLN A CD 1 +ATOM 527 O OE1 . GLN A 1 70 ? -105.227 -26.251 -31.297 1.00 46.16 ? 70 GLN A OE1 1 +ATOM 528 N NE2 . GLN A 1 70 ? -105.945 -24.244 -30.568 1.00 47.78 ? 70 GLN A NE2 1 +ATOM 529 N N . THR A 1 71 ? -108.122 -24.920 -35.311 1.00 42.60 ? 71 THR A N 1 +ATOM 530 C CA . THR A 1 71 ? -107.415 -24.644 -36.549 1.00 41.68 ? 71 THR A CA 1 +ATOM 531 C C . THR A 1 71 ? -105.964 -24.318 -36.241 1.00 42.38 ? 71 THR A C 1 +ATOM 532 O O . THR A 1 71 ? -105.663 -23.310 -35.608 1.00 43.73 ? 71 THR A O 1 +ATOM 533 C CB . THR A 1 71 ? -108.050 -23.473 -37.286 1.00 39.85 ? 71 THR A CB 1 +ATOM 534 O OG1 . THR A 1 71 ? -109.438 -23.758 -37.501 1.00 40.26 ? 71 THR A OG1 1 +ATOM 535 C CG2 . THR A 1 71 ? -107.362 -23.261 -38.627 1.00 39.73 ? 71 THR A CG2 1 +ATOM 536 N N . VAL A 1 72 ? -105.067 -25.190 -36.680 1.00 42.89 ? 72 VAL A N 1 +ATOM 537 C CA . VAL A 1 72 ? -103.639 -25.008 -36.453 1.00 43.05 ? 72 VAL A CA 1 +ATOM 538 C C . VAL A 1 72 ? -102.970 -24.934 -37.820 1.00 43.19 ? 72 VAL A C 1 +ATOM 539 O O . VAL A 1 72 ? -103.172 -25.817 -38.659 1.00 43.83 ? 72 VAL A O 1 +ATOM 540 C CB . VAL A 1 72 ? -103.039 -26.204 -35.671 1.00 42.85 ? 72 VAL A CB 1 +ATOM 541 C CG1 . VAL A 1 72 ? -101.673 -25.836 -35.131 1.00 41.25 ? 72 VAL A CG1 1 +ATOM 542 C CG2 . VAL A 1 72 ? -103.990 -26.632 -34.552 1.00 43.49 ? 72 VAL A CG2 1 +ATOM 543 N N . GLY A 1 73 ? -102.176 -23.891 -38.043 1.00 42.55 ? 73 GLY A N 1 +ATOM 544 C CA . GLY A 1 73 ? -101.508 -23.742 -39.324 1.00 41.04 ? 73 GLY A CA 1 +ATOM 545 C C . GLY A 1 73 ? -102.493 -23.761 -40.486 1.00 40.29 ? 73 GLY A C 1 +ATOM 546 O O . GLY A 1 73 ? -102.160 -24.215 -41.582 1.00 39.95 ? 73 GLY A O 1 +ATOM 547 N N . GLY A 1 74 ? -103.713 -23.277 -40.242 1.00 39.24 ? 74 GLY A N 1 +ATOM 548 C CA . GLY A 1 74 ? -104.723 -23.244 -41.286 1.00 37.84 ? 74 GLY A CA 1 +ATOM 549 C C . GLY A 1 74 ? -105.480 -24.546 -41.476 1.00 37.13 ? 74 GLY A C 1 +ATOM 550 O O . GLY A 1 74 ? -106.359 -24.628 -42.331 1.00 36.78 ? 74 GLY A O 1 +ATOM 551 N N . VAL A 1 75 ? -105.152 -25.558 -40.674 1.00 37.04 ? 75 VAL A N 1 +ATOM 552 C CA . VAL A 1 75 ? -105.799 -26.872 -40.761 1.00 36.36 ? 75 VAL A CA 1 +ATOM 553 C C . VAL A 1 75 ? -106.663 -27.201 -39.528 1.00 35.52 ? 75 VAL A C 1 +ATOM 554 O O . VAL A 1 75 ? -106.344 -26.788 -38.410 1.00 34.91 ? 75 VAL A O 1 +ATOM 555 C CB . VAL A 1 75 ? -104.739 -27.992 -40.943 1.00 36.07 ? 75 VAL A CB 1 +ATOM 556 C CG1 . VAL A 1 75 ? -105.419 -29.337 -41.110 1.00 36.07 ? 75 VAL A CG1 1 +ATOM 557 C CG2 . VAL A 1 75 ? -103.855 -27.687 -42.143 1.00 34.95 ? 75 VAL A CG2 1 +ATOM 558 N N . GLU A 1 76 ? -107.744 -27.951 -39.731 1.00 34.92 ? 76 GLU A N 1 +ATOM 559 C CA . GLU A 1 76 ? -108.638 -28.327 -38.636 1.00 35.53 ? 76 GLU A CA 1 +ATOM 560 C C . GLU A 1 76 ? -108.329 -29.692 -38.040 1.00 34.51 ? 76 GLU A C 1 +ATOM 561 O O . GLU A 1 76 ? -108.328 -30.706 -38.744 1.00 35.88 ? 76 GLU A O 1 +ATOM 562 C CB . GLU A 1 76 ? -110.083 -28.329 -39.104 1.00 38.56 ? 76 GLU A CB 1 +ATOM 563 C CG . GLU A 1 76 ? -110.514 -27.028 -39.711 1.00 45.71 ? 76 GLU A CG 1 +ATOM 564 C CD . GLU A 1 76 ? -112.009 -26.828 -39.612 1.00 49.37 ? 76 GLU A CD 1 +ATOM 565 O OE1 . GLU A 1 76 ? -112.763 -27.712 -40.088 1.00 50.81 ? 76 GLU A OE1 1 +ATOM 566 O OE2 . GLU A 1 76 ? -112.419 -25.784 -39.050 1.00 52.21 ? 76 GLU A OE2 1 +ATOM 567 N N . LEU A 1 77 ? -108.097 -29.714 -36.732 1.00 32.12 ? 77 LEU A N 1 +ATOM 568 C CA . LEU A 1 77 ? -107.784 -30.948 -36.027 1.00 29.32 ? 77 LEU A CA 1 +ATOM 569 C C . LEU A 1 77 ? -108.747 -31.212 -34.873 1.00 28.84 ? 77 LEU A C 1 +ATOM 570 O O . LEU A 1 77 ? -109.164 -30.281 -34.185 1.00 28.93 ? 77 LEU A O 1 +ATOM 571 C CB . LEU A 1 77 ? -106.366 -30.870 -35.471 1.00 27.86 ? 77 LEU A CB 1 +ATOM 572 C CG . LEU A 1 77 ? -105.254 -30.587 -36.469 1.00 27.24 ? 77 LEU A CG 1 +ATOM 573 C CD1 . LEU A 1 77 ? -103.948 -30.415 -35.725 1.00 26.21 ? 77 LEU A CD1 1 +ATOM 574 C CD2 . LEU A 1 77 ? -105.174 -31.728 -37.471 1.00 26.35 ? 77 LEU A CD2 1 +ATOM 575 N N . PRO A 1 78 ? -109.123 -32.488 -34.658 1.00 28.54 ? 78 PRO A N 1 +ATOM 576 C CA . PRO A 1 78 ? -110.033 -32.856 -33.568 1.00 28.15 ? 78 PRO A CA 1 +ATOM 577 C C . PRO A 1 78 ? -109.180 -32.714 -32.316 1.00 28.53 ? 78 PRO A C 1 +ATOM 578 O O . PRO A 1 78 ? -108.106 -33.319 -32.206 1.00 28.99 ? 78 PRO A O 1 +ATOM 579 C CB . PRO A 1 78 ? -110.375 -34.300 -33.885 1.00 27.70 ? 78 PRO A CB 1 +ATOM 580 C CG . PRO A 1 78 ? -109.086 -34.806 -34.453 1.00 29.34 ? 78 PRO A CG 1 +ATOM 581 C CD . PRO A 1 78 ? -108.637 -33.684 -35.366 1.00 28.56 ? 78 PRO A CD 1 +ATOM 582 N N . VAL A 1 79 ? -109.646 -31.918 -31.368 1.00 28.01 ? 79 VAL A N 1 +ATOM 583 C CA . VAL A 1 79 ? -108.841 -31.660 -30.196 1.00 26.70 ? 79 VAL A CA 1 +ATOM 584 C C . VAL A 1 79 ? -109.683 -31.593 -28.920 1.00 25.38 ? 79 VAL A C 1 +ATOM 585 O O . VAL A 1 79 ? -110.890 -31.832 -28.960 1.00 24.63 ? 79 VAL A O 1 +ATOM 586 C CB . VAL A 1 79 ? -108.084 -30.336 -30.442 1.00 26.82 ? 79 VAL A CB 1 +ATOM 587 C CG1 . VAL A 1 79 ? -108.871 -29.165 -29.876 1.00 27.00 ? 79 VAL A CG1 1 +ATOM 588 C CG2 . VAL A 1 79 ? -106.690 -30.426 -29.906 1.00 29.42 ? 79 VAL A CG2 1 +ATOM 589 N N . ALA A 1 80 ? -109.046 -31.297 -27.790 1.00 24.09 ? 80 ALA A N 1 +ATOM 590 C CA . ALA A 1 80 ? -109.774 -31.176 -26.525 1.00 23.69 ? 80 ALA A CA 1 +ATOM 591 C C . ALA A 1 80 ? -109.470 -29.808 -25.910 1.00 23.61 ? 80 ALA A C 1 +ATOM 592 O O . ALA A 1 80 ? -108.330 -29.527 -25.546 1.00 23.52 ? 80 ALA A O 1 +ATOM 593 C CB . ALA A 1 80 ? -109.375 -32.287 -25.564 1.00 21.85 ? 80 ALA A CB 1 +ATOM 594 N N . ALA A 1 81 ? -110.494 -28.958 -25.819 1.00 22.15 ? 81 ALA A N 1 +ATOM 595 C CA . ALA A 1 81 ? -110.353 -27.619 -25.258 1.00 21.28 ? 81 ALA A CA 1 +ATOM 596 C C . ALA A 1 81 ? -109.693 -27.687 -23.886 1.00 22.06 ? 81 ALA A C 1 +ATOM 597 O O . ALA A 1 81 ? -108.825 -26.880 -23.554 1.00 23.41 ? 81 ALA A O 1 +ATOM 598 C CB . ALA A 1 81 ? -111.711 -26.960 -25.151 1.00 20.58 ? 81 ALA A CB 1 +ATOM 599 N N . TRP A 1 82 ? -110.122 -28.649 -23.082 1.00 22.36 ? 82 TRP A N 1 +ATOM 600 C CA . TRP A 1 82 ? -109.556 -28.858 -21.756 1.00 21.36 ? 82 TRP A CA 1 +ATOM 601 C C . TRP A 1 82 ? -110.007 -30.219 -21.266 1.00 21.46 ? 82 TRP A C 1 +ATOM 602 O O . TRP A 1 82 ? -110.842 -30.870 -21.904 1.00 21.92 ? 82 TRP A O 1 +ATOM 603 C CB . TRP A 1 82 ? -109.997 -27.763 -20.769 1.00 21.63 ? 82 TRP A CB 1 +ATOM 604 C CG . TRP A 1 82 ? -111.462 -27.400 -20.795 1.00 21.54 ? 82 TRP A CG 1 +ATOM 605 C CD1 . TRP A 1 82 ? -112.022 -26.330 -21.421 1.00 21.75 ? 82 TRP A CD1 1 +ATOM 606 C CD2 . TRP A 1 82 ? -112.541 -28.098 -20.153 1.00 21.54 ? 82 TRP A CD2 1 +ATOM 607 N NE1 . TRP A 1 82 ? -113.381 -26.310 -21.210 1.00 21.91 ? 82 TRP A NE1 1 +ATOM 608 C CE2 . TRP A 1 82 ? -113.727 -27.383 -20.434 1.00 21.63 ? 82 TRP A CE2 1 +ATOM 609 C CE3 . TRP A 1 82 ? -112.621 -29.255 -19.367 1.00 22.61 ? 82 TRP A CE3 1 +ATOM 610 C CZ2 . TRP A 1 82 ? -114.982 -27.786 -19.958 1.00 22.62 ? 82 TRP A CZ2 1 +ATOM 611 C CZ3 . TRP A 1 82 ? -113.873 -29.660 -18.891 1.00 23.09 ? 82 TRP A CZ3 1 +ATOM 612 C CH2 . TRP A 1 82 ? -115.036 -28.923 -19.190 1.00 23.24 ? 82 TRP A CH2 1 +ATOM 613 N N . ARG A 1 83 ? -109.447 -30.651 -20.144 1.00 20.74 ? 83 ARG A N 1 +ATOM 614 C CA . ARG A 1 83 ? -109.798 -31.938 -19.559 1.00 20.90 ? 83 ARG A CA 1 +ATOM 615 C C . ARG A 1 83 ? -110.000 -31.839 -18.057 1.00 21.94 ? 83 ARG A C 1 +ATOM 616 O O . ARG A 1 83 ? -109.319 -31.066 -17.370 1.00 22.83 ? 83 ARG A O 1 +ATOM 617 C CB . ARG A 1 83 ? -108.709 -32.978 -19.839 1.00 19.71 ? 83 ARG A CB 1 +ATOM 618 C CG . ARG A 1 83 ? -108.789 -33.602 -21.209 1.00 20.93 ? 83 ARG A CG 1 +ATOM 619 C CD . ARG A 1 83 ? -107.572 -34.459 -21.514 1.00 22.20 ? 83 ARG A CD 1 +ATOM 620 N NE . ARG A 1 83 ? -107.702 -35.132 -22.805 1.00 24.59 ? 83 ARG A NE 1 +ATOM 621 C CZ . ARG A 1 83 ? -108.285 -36.316 -22.984 1.00 25.85 ? 83 ARG A CZ 1 +ATOM 622 N NH1 . ARG A 1 83 ? -108.791 -36.979 -21.953 1.00 26.42 ? 83 ARG A NH1 1 +ATOM 623 N NH2 . ARG A 1 83 ? -108.384 -36.833 -24.202 1.00 28.62 ? 83 ARG A NH2 1 +ATOM 624 N N . SER A 1 84 ? -110.948 -32.625 -17.560 1.00 21.90 ? 84 SER A N 1 +ATOM 625 C CA . SER A 1 84 ? -111.226 -32.678 -16.137 1.00 21.58 ? 84 SER A CA 1 +ATOM 626 C C . SER A 1 84 ? -110.599 -33.985 -15.669 1.00 21.03 ? 84 SER A C 1 +ATOM 627 O O . SER A 1 84 ? -110.759 -35.025 -16.321 1.00 20.94 ? 84 SER A O 1 +ATOM 628 C CB . SER A 1 84 ? -112.727 -32.690 -15.891 1.00 22.91 ? 84 SER A CB 1 +ATOM 629 O OG . SER A 1 84 ? -112.993 -32.607 -14.504 1.00 26.41 ? 84 SER A OG 1 +ATOM 630 N N . TYR A 1 85 ? -109.873 -33.939 -14.555 1.00 20.73 ? 85 TYR A N 1 +ATOM 631 C CA . TYR A 1 85 ? -109.205 -35.137 -14.054 1.00 21.39 ? 85 TYR A CA 1 +ATOM 632 C C . TYR A 1 85 ? -109.650 -35.619 -12.685 1.00 21.74 ? 85 TYR A C 1 +ATOM 633 O O . TYR A 1 85 ? -109.723 -34.837 -11.731 1.00 23.33 ? 85 TYR A O 1 +ATOM 634 C CB . TYR A 1 85 ? -107.695 -34.922 -13.986 1.00 21.18 ? 85 TYR A CB 1 +ATOM 635 C CG . TYR A 1 85 ? -107.055 -34.518 -15.280 1.00 21.86 ? 85 TYR A CG 1 +ATOM 636 C CD1 . TYR A 1 85 ? -107.129 -33.206 -15.738 1.00 23.15 ? 85 TYR A CD1 1 +ATOM 637 C CD2 . TYR A 1 85 ? -106.357 -35.444 -16.045 1.00 23.21 ? 85 TYR A CD2 1 +ATOM 638 C CE1 . TYR A 1 85 ? -106.517 -32.825 -16.924 1.00 25.99 ? 85 TYR A CE1 1 +ATOM 639 C CE2 . TYR A 1 85 ? -105.741 -35.078 -17.235 1.00 25.79 ? 85 TYR A CE2 1 +ATOM 640 C CZ . TYR A 1 85 ? -105.824 -33.769 -17.667 1.00 27.23 ? 85 TYR A CZ 1 +ATOM 641 O OH . TYR A 1 85 ? -105.195 -33.399 -18.833 1.00 30.53 ? 85 TYR A OH 1 +ATOM 642 N N . LEU A 1 86 ? -109.933 -36.914 -12.590 1.00 21.05 ? 86 LEU A N 1 +ATOM 643 C CA . LEU A 1 86 ? -110.311 -37.507 -11.321 1.00 21.35 ? 86 LEU A CA 1 +ATOM 644 C C . LEU A 1 86 ? -109.213 -38.488 -10.928 1.00 22.29 ? 86 LEU A C 1 +ATOM 645 O O . LEU A 1 86 ? -108.920 -39.418 -11.675 1.00 21.82 ? 86 LEU A O 1 +ATOM 646 C CB . LEU A 1 86 ? -111.633 -38.270 -11.428 1.00 20.61 ? 86 LEU A CB 1 +ATOM 647 C CG . LEU A 1 86 ? -111.951 -39.093 -10.165 1.00 19.62 ? 86 LEU A CG 1 +ATOM 648 C CD1 . LEU A 1 86 ? -112.118 -38.155 -8.970 1.00 20.86 ? 86 LEU A CD1 1 +ATOM 649 C CD2 . LEU A 1 86 ? -113.203 -39.916 -10.362 1.00 18.68 ? 86 LEU A CD2 1 +ATOM 650 N N . ASN A 1 87 ? -108.590 -38.272 -9.774 1.00 23.19 ? 87 ASN A N 1 +ATOM 651 C CA . ASN A 1 87 ? -107.556 -39.188 -9.310 1.00 25.75 ? 87 ASN A CA 1 +ATOM 652 C C . ASN A 1 87 ? -107.988 -39.731 -7.959 1.00 25.54 ? 87 ASN A C 1 +ATOM 653 O O . ASN A 1 87 ? -108.097 -38.980 -6.987 1.00 25.54 ? 87 ASN A O 1 +ATOM 654 C CB . ASN A 1 87 ? -106.198 -38.490 -9.156 1.00 28.72 ? 87 ASN A CB 1 +ATOM 655 C CG . ASN A 1 87 ? -105.728 -37.820 -10.443 1.00 35.46 ? 87 ASN A CG 1 +ATOM 656 O OD1 . ASN A 1 87 ? -105.761 -38.419 -11.527 1.00 38.86 ? 87 ASN A OD1 1 +ATOM 657 N ND2 . ASN A 1 87 ? -105.276 -36.568 -10.328 1.00 38.67 ? 87 ASN A ND2 1 +ATOM 658 N N . MET A 1 88 ? -108.263 -41.025 -7.882 1.00 24.48 ? 88 MET A N 1 +ATOM 659 C CA . MET A 1 88 ? -108.634 -41.559 -6.597 1.00 25.28 ? 88 MET A CA 1 +ATOM 660 C C . MET A 1 88 ? -107.740 -42.709 -6.178 1.00 24.96 ? 88 MET A C 1 +ATOM 661 O O . MET A 1 88 ? -107.329 -43.524 -6.998 1.00 24.33 ? 88 MET A O 1 +ATOM 662 C CB . MET A 1 88 ? -110.105 -41.971 -6.572 1.00 28.24 ? 88 MET A CB 1 +ATOM 663 C CG . MET A 1 88 ? -110.522 -43.042 -7.544 1.00 32.12 ? 88 MET A CG 1 +ATOM 664 S SD . MET A 1 88 ? -112.240 -43.498 -7.186 1.00 37.49 ? 88 MET A SD 1 +ATOM 665 C CE . MET A 1 88 ? -113.056 -41.989 -7.579 1.00 35.03 ? 88 MET A CE 1 +ATOM 666 N N . GLU A 1 89 ? -107.415 -42.733 -4.889 1.00 24.89 ? 89 GLU A N 1 +ATOM 667 C CA . GLU A 1 89 ? -106.577 -43.759 -4.310 1.00 24.95 ? 89 GLU A CA 1 +ATOM 668 C C . GLU A 1 89 ? -107.318 -44.416 -3.173 1.00 23.67 ? 89 GLU A C 1 +ATOM 669 O O . GLU A 1 89 ? -107.803 -43.742 -2.266 1.00 24.20 ? 89 GLU A O 1 +ATOM 670 C CB . GLU A 1 89 ? -105.296 -43.150 -3.794 1.00 28.57 ? 89 GLU A CB 1 +ATOM 671 C CG . GLU A 1 89 ? -104.191 -43.199 -4.793 1.00 35.46 ? 89 GLU A CG 1 +ATOM 672 C CD . GLU A 1 89 ? -103.126 -42.186 -4.491 1.00 40.10 ? 89 GLU A CD 1 +ATOM 673 O OE1 . GLU A 1 89 ? -102.872 -41.940 -3.284 1.00 41.63 ? 89 GLU A OE1 1 +ATOM 674 O OE2 . GLU A 1 89 ? -102.549 -41.643 -5.464 1.00 42.71 ? 89 GLU A OE2 1 +ATOM 675 N N . LEU A 1 90 ? -107.391 -45.737 -3.212 1.00 21.36 ? 90 LEU A N 1 +ATOM 676 C CA . LEU A 1 90 ? -108.101 -46.482 -2.194 1.00 19.69 ? 90 LEU A CA 1 +ATOM 677 C C . LEU A 1 90 ? -107.189 -47.492 -1.501 1.00 18.84 ? 90 LEU A C 1 +ATOM 678 O O . LEU A 1 90 ? -106.674 -48.401 -2.137 1.00 20.11 ? 90 LEU A O 1 +ATOM 679 C CB . LEU A 1 90 ? -109.291 -47.180 -2.855 1.00 18.83 ? 90 LEU A CB 1 +ATOM 680 C CG . LEU A 1 90 ? -110.151 -48.150 -2.057 1.00 19.30 ? 90 LEU A CG 1 +ATOM 681 C CD1 . LEU A 1 90 ? -110.848 -47.439 -0.912 1.00 20.56 ? 90 LEU A CD1 1 +ATOM 682 C CD2 . LEU A 1 90 ? -111.163 -48.761 -2.993 1.00 18.98 ? 90 LEU A CD2 1 +ATOM 683 N N . THR A 1 91 ? -106.984 -47.323 -0.200 1.00 18.24 ? 91 THR A N 1 +ATOM 684 C CA . THR A 1 91 ? -106.138 -48.235 0.572 1.00 18.28 ? 91 THR A CA 1 +ATOM 685 C C . THR A 1 91 ? -106.991 -49.179 1.419 1.00 18.40 ? 91 THR A C 1 +ATOM 686 O O . THR A 1 91 ? -107.760 -48.738 2.273 1.00 19.02 ? 91 THR A O 1 +ATOM 687 C CB . THR A 1 91 ? -105.204 -47.467 1.511 1.00 17.64 ? 91 THR A CB 1 +ATOM 688 O OG1 . THR A 1 91 ? -104.312 -46.662 0.735 1.00 19.40 ? 91 THR A OG1 1 +ATOM 689 C CG2 . THR A 1 91 ? -104.399 -48.430 2.360 1.00 16.64 ? 91 THR A CG2 1 +ATOM 690 N N . ILE A 1 92 ? -106.832 -50.478 1.189 1.00 17.69 ? 92 ILE A N 1 +ATOM 691 C CA . ILE A 1 92 ? -107.608 -51.488 1.900 1.00 17.04 ? 92 ILE A CA 1 +ATOM 692 C C . ILE A 1 92 ? -106.710 -52.476 2.630 1.00 16.34 ? 92 ILE A C 1 +ATOM 693 O O . ILE A 1 92 ? -105.839 -53.088 2.017 1.00 16.83 ? 92 ILE A O 1 +ATOM 694 C CB . ILE A 1 92 ? -108.470 -52.293 0.905 1.00 17.19 ? 92 ILE A CB 1 +ATOM 695 C CG1 . ILE A 1 92 ? -109.378 -51.347 0.121 1.00 18.78 ? 92 ILE A CG1 1 +ATOM 696 C CG2 . ILE A 1 92 ? -109.283 -53.332 1.637 1.00 16.96 ? 92 ILE A CG2 1 +ATOM 697 C CD1 . ILE A 1 92 ? -110.100 -52.010 -1.032 1.00 18.88 ? 92 ILE A CD1 1 +ATOM 698 N N . PRO A 1 93 ? -106.904 -52.652 3.947 1.00 15.74 ? 93 PRO A N 1 +ATOM 699 C CA . PRO A 1 93 ? -106.057 -53.606 4.668 1.00 16.00 ? 93 PRO A CA 1 +ATOM 700 C C . PRO A 1 93 ? -106.253 -55.007 4.093 1.00 16.48 ? 93 PRO A C 1 +ATOM 701 O O . PRO A 1 93 ? -107.305 -55.300 3.527 1.00 17.15 ? 93 PRO A O 1 +ATOM 702 C CB . PRO A 1 93 ? -106.545 -53.484 6.106 1.00 15.69 ? 93 PRO A CB 1 +ATOM 703 C CG . PRO A 1 93 ? -107.975 -53.071 5.950 1.00 15.50 ? 93 PRO A CG 1 +ATOM 704 C CD . PRO A 1 93 ? -107.899 -52.051 4.850 1.00 15.86 ? 93 PRO A CD 1 +ATOM 705 N N . ILE A 1 94 ? -105.241 -55.864 4.214 1.00 17.00 ? 94 ILE A N 1 +ATOM 706 C CA . ILE A 1 94 ? -105.336 -57.217 3.673 1.00 16.76 ? 94 ILE A CA 1 +ATOM 707 C C . ILE A 1 94 ? -106.304 -58.070 4.481 1.00 16.82 ? 94 ILE A C 1 +ATOM 708 O O . ILE A 1 94 ? -106.696 -59.152 4.040 1.00 17.79 ? 94 ILE A O 1 +ATOM 709 C CB . ILE A 1 94 ? -103.952 -57.932 3.654 1.00 16.48 ? 94 ILE A CB 1 +ATOM 710 C CG1 . ILE A 1 94 ? -103.399 -58.074 5.079 1.00 16.00 ? 94 ILE A CG1 1 +ATOM 711 C CG2 . ILE A 1 94 ? -102.983 -57.156 2.783 1.00 16.36 ? 94 ILE A CG2 1 +ATOM 712 C CD1 . ILE A 1 94 ? -102.108 -58.879 5.177 1.00 15.39 ? 94 ILE A CD1 1 +ATOM 713 N N . PHE A 1 95 ? -106.685 -57.575 5.657 1.00 16.19 ? 95 PHE A N 1 +ATOM 714 C CA . PHE A 1 95 ? -107.594 -58.295 6.542 1.00 16.50 ? 95 PHE A CA 1 +ATOM 715 C C . PHE A 1 95 ? -109.061 -58.096 6.176 1.00 17.33 ? 95 PHE A C 1 +ATOM 716 O O . PHE A 1 95 ? -109.945 -58.688 6.800 1.00 18.17 ? 95 PHE A O 1 +ATOM 717 C CB . PHE A 1 95 ? -107.375 -57.857 7.996 1.00 16.69 ? 95 PHE A CB 1 +ATOM 718 C CG . PHE A 1 95 ? -105.939 -57.900 8.434 1.00 17.03 ? 95 PHE A CG 1 +ATOM 719 C CD1 . PHE A 1 95 ? -105.346 -59.099 8.805 1.00 15.92 ? 95 PHE A CD1 1 +ATOM 720 C CD2 . PHE A 1 95 ? -105.166 -56.746 8.430 1.00 17.44 ? 95 PHE A CD2 1 +ATOM 721 C CE1 . PHE A 1 95 ? -104.001 -59.142 9.169 1.00 15.39 ? 95 PHE A CE1 1 +ATOM 722 C CE2 . PHE A 1 95 ? -103.824 -56.782 8.792 1.00 15.25 ? 95 PHE A CE2 1 +ATOM 723 C CZ . PHE A 1 95 ? -103.241 -57.978 9.156 1.00 14.44 ? 95 PHE A CZ 1 +ATOM 724 N N . ALA A 1 96 ? -109.322 -57.260 5.172 1.00 17.28 ? 96 ALA A N 1 +ATOM 725 C CA . ALA A 1 96 ? -110.694 -56.992 4.751 1.00 16.85 ? 96 ALA A CA 1 +ATOM 726 C C . ALA A 1 96 ? -111.267 -58.176 3.977 1.00 17.69 ? 96 ALA A C 1 +ATOM 727 O O . ALA A 1 96 ? -110.681 -58.632 2.993 1.00 18.40 ? 96 ALA A O 1 +ATOM 728 C CB . ALA A 1 96 ? -110.746 -55.726 3.886 1.00 14.62 ? 96 ALA A CB 1 +ATOM 729 N N . THR A 1 97 ? -112.414 -58.670 4.425 1.00 17.67 ? 97 THR A N 1 +ATOM 730 C CA . THR A 1 97 ? -113.059 -59.788 3.760 1.00 17.90 ? 97 THR A CA 1 +ATOM 731 C C . THR A 1 97 ? -113.794 -59.251 2.546 1.00 19.27 ? 97 THR A C 1 +ATOM 732 O O . THR A 1 97 ? -113.778 -58.051 2.291 1.00 20.79 ? 97 THR A O 1 +ATOM 733 C CB . THR A 1 97 ? -114.073 -60.448 4.669 1.00 16.91 ? 97 THR A CB 1 +ATOM 734 O OG1 . THR A 1 97 ? -115.093 -59.495 4.984 1.00 17.75 ? 97 THR A OG1 1 +ATOM 735 C CG2 . THR A 1 97 ? -113.404 -60.926 5.947 1.00 16.37 ? 97 THR A CG2 1 +ATOM 736 N N . ASN A 1 98 ? -114.445 -60.129 1.790 1.00 20.22 ? 98 ASN A N 1 +ATOM 737 C CA . ASN A 1 98 ? -115.169 -59.672 0.617 1.00 19.80 ? 98 ASN A CA 1 +ATOM 738 C C . ASN A 1 98 ? -116.330 -58.799 1.043 1.00 19.53 ? 98 ASN A C 1 +ATOM 739 O O . ASN A 1 98 ? -116.614 -57.790 0.410 1.00 20.01 ? 98 ASN A O 1 +ATOM 740 C CB . ASN A 1 98 ? -115.678 -60.851 -0.200 1.00 21.86 ? 98 ASN A CB 1 +ATOM 741 C CG . ASN A 1 98 ? -114.584 -61.517 -1.010 1.00 23.91 ? 98 ASN A CG 1 +ATOM 742 O OD1 . ASN A 1 98 ? -113.440 -61.064 -1.024 1.00 26.35 ? 98 ASN A OD1 1 +ATOM 743 N ND2 . ASN A 1 98 ? -114.935 -62.597 -1.700 1.00 26.74 ? 98 ASN A ND2 1 +ATOM 744 N N . SER A 1 99 ? -117.003 -59.172 2.121 1.00 18.76 ? 99 SER A N 1 +ATOM 745 C CA . SER A 1 99 ? -118.120 -58.363 2.574 1.00 18.95 ? 99 SER A CA 1 +ATOM 746 C C . SER A 1 99 ? -117.648 -57.004 3.092 1.00 19.98 ? 99 SER A C 1 +ATOM 747 O O . SER A 1 99 ? -118.402 -56.032 3.028 1.00 21.61 ? 99 SER A O 1 +ATOM 748 C CB . SER A 1 99 ? -118.915 -59.096 3.649 1.00 17.40 ? 99 SER A CB 1 +ATOM 749 O OG . SER A 1 99 ? -118.075 -59.502 4.706 1.00 18.97 ? 99 SER A OG 1 +ATOM 750 N N . ASP A 1 100 ? -116.420 -56.925 3.610 1.00 19.63 ? 100 ASP A N 1 +ATOM 751 C CA . ASP A 1 100 ? -115.903 -55.642 4.090 1.00 18.77 ? 100 ASP A CA 1 +ATOM 752 C C . ASP A 1 100 ? -115.665 -54.751 2.881 1.00 19.49 ? 100 ASP A C 1 +ATOM 753 O O . ASP A 1 100 ? -115.823 -53.535 2.948 1.00 20.41 ? 100 ASP A O 1 +ATOM 754 C CB . ASP A 1 100 ? -114.578 -55.796 4.836 1.00 17.75 ? 100 ASP A CB 1 +ATOM 755 C CG . ASP A 1 100 ? -114.727 -56.458 6.191 1.00 18.74 ? 100 ASP A CG 1 +ATOM 756 O OD1 . ASP A 1 100 ? -115.793 -56.307 6.828 1.00 19.38 ? 100 ASP A OD1 1 +ATOM 757 O OD2 . ASP A 1 100 ? -113.756 -57.114 6.631 1.00 18.26 ? 100 ASP A OD2 1 +ATOM 758 N N . CYS A 1 101 ? -115.279 -55.363 1.767 1.00 19.17 ? 101 CYS A N 1 +ATOM 759 C CA . CYS A 1 101 ? -115.012 -54.614 0.554 1.00 20.21 ? 101 CYS A CA 1 +ATOM 760 C C . CYS A 1 101 ? -116.299 -54.171 -0.124 1.00 21.21 ? 101 CYS A C 1 +ATOM 761 O O . CYS A 1 101 ? -116.351 -53.102 -0.735 1.00 21.92 ? 101 CYS A O 1 +ATOM 762 C CB . CYS A 1 101 ? -114.155 -55.450 -0.396 1.00 20.58 ? 101 CYS A CB 1 +ATOM 763 S SG . CYS A 1 101 ? -112.467 -55.695 0.215 1.00 22.83 ? 101 CYS A SG 1 +ATOM 764 N N . GLU A 1 102 ? -117.341 -54.984 -0.013 1.00 21.86 ? 102 GLU A N 1 +ATOM 765 C CA . GLU A 1 102 ? -118.620 -54.624 -0.603 1.00 22.64 ? 102 GLU A CA 1 +ATOM 766 C C . GLU A 1 102 ? -119.155 -53.389 0.103 1.00 21.45 ? 102 GLU A C 1 +ATOM 767 O O . GLU A 1 102 ? -119.893 -52.600 -0.476 1.00 21.54 ? 102 GLU A O 1 +ATOM 768 C CB . GLU A 1 102 ? -119.599 -55.777 -0.466 1.00 25.76 ? 102 GLU A CB 1 +ATOM 769 C CG . GLU A 1 102 ? -119.243 -56.934 -1.361 1.00 33.30 ? 102 GLU A CG 1 +ATOM 770 C CD . GLU A 1 102 ? -120.160 -58.124 -1.176 1.00 37.10 ? 102 GLU A CD 1 +ATOM 771 O OE1 . GLU A 1 102 ? -121.373 -57.907 -0.936 1.00 38.97 ? 102 GLU A OE1 1 +ATOM 772 O OE2 . GLU A 1 102 ? -119.661 -59.273 -1.291 1.00 38.16 ? 102 GLU A OE2 1 +ATOM 773 N N . LEU A 1 103 ? -118.764 -53.228 1.363 1.00 19.93 ? 103 LEU A N 1 +ATOM 774 C CA . LEU A 1 103 ? -119.173 -52.094 2.169 1.00 19.10 ? 103 LEU A CA 1 +ATOM 775 C C . LEU A 1 103 ? -118.517 -50.840 1.599 1.00 18.65 ? 103 LEU A C 1 +ATOM 776 O O . LEU A 1 103 ? -119.149 -49.796 1.445 1.00 18.38 ? 103 LEU A O 1 +ATOM 777 C CB . LEU A 1 103 ? -118.721 -52.313 3.607 1.00 21.39 ? 103 LEU A CB 1 +ATOM 778 C CG . LEU A 1 103 ? -119.709 -52.042 4.740 1.00 23.44 ? 103 LEU A CG 1 +ATOM 779 C CD1 . LEU A 1 103 ? -120.999 -52.813 4.521 1.00 23.35 ? 103 LEU A CD1 1 +ATOM 780 C CD2 . LEU A 1 103 ? -119.060 -52.456 6.053 1.00 23.98 ? 103 LEU A CD2 1 +ATOM 781 N N . ILE A 1 104 ? -117.235 -50.948 1.279 1.00 17.67 ? 104 ILE A N 1 +ATOM 782 C CA . ILE A 1 104 ? -116.495 -49.834 0.707 1.00 16.68 ? 104 ILE A CA 1 +ATOM 783 C C . ILE A 1 104 ? -117.127 -49.388 -0.609 1.00 17.15 ? 104 ILE A C 1 +ATOM 784 O O . ILE A 1 104 ? -117.319 -48.194 -0.844 1.00 17.46 ? 104 ILE A O 1 +ATOM 785 C CB . ILE A 1 104 ? -115.036 -50.227 0.450 1.00 15.82 ? 104 ILE A CB 1 +ATOM 786 C CG1 . ILE A 1 104 ? -114.384 -50.642 1.776 1.00 15.90 ? 104 ILE A CG1 1 +ATOM 787 C CG2 . ILE A 1 104 ? -114.292 -49.075 -0.219 1.00 14.44 ? 104 ILE A CG2 1 +ATOM 788 C CD1 . ILE A 1 104 ? -112.946 -51.092 1.657 1.00 13.33 ? 104 ILE A CD1 1 +ATOM 789 N N . VAL A 1 105 ? -117.453 -50.341 -1.476 1.00 16.51 ? 105 VAL A N 1 +ATOM 790 C CA . VAL A 1 105 ? -118.068 -49.986 -2.747 1.00 16.91 ? 105 VAL A CA 1 +ATOM 791 C C . VAL A 1 105 ? -119.380 -49.229 -2.532 1.00 17.06 ? 105 VAL A C 1 +ATOM 792 O O . VAL A 1 105 ? -119.585 -48.150 -3.090 1.00 17.57 ? 105 VAL A O 1 +ATOM 793 C CB . VAL A 1 105 ? -118.334 -51.228 -3.598 1.00 16.30 ? 105 VAL A CB 1 +ATOM 794 C CG1 . VAL A 1 105 ? -119.100 -50.846 -4.846 1.00 15.89 ? 105 VAL A CG1 1 +ATOM 795 C CG2 . VAL A 1 105 ? -117.017 -51.878 -3.978 1.00 15.05 ? 105 VAL A CG2 1 +ATOM 796 N N . LYS A 1 106 ? -120.263 -49.790 -1.710 1.00 16.84 ? 106 LYS A N 1 +ATOM 797 C CA . LYS A 1 106 ? -121.544 -49.159 -1.419 1.00 17.26 ? 106 LYS A CA 1 +ATOM 798 C C . LYS A 1 106 ? -121.368 -47.748 -0.873 1.00 17.77 ? 106 LYS A C 1 +ATOM 799 O O . LYS A 1 106 ? -122.189 -46.870 -1.144 1.00 17.57 ? 106 LYS A O 1 +ATOM 800 C CB . LYS A 1 106 ? -122.328 -49.987 -0.404 1.00 17.59 ? 106 LYS A CB 1 +ATOM 801 C CG . LYS A 1 106 ? -122.854 -51.293 -0.934 1.00 20.74 ? 106 LYS A CG 1 +ATOM 802 C CD . LYS A 1 106 ? -123.517 -52.080 0.177 1.00 25.70 ? 106 LYS A CD 1 +ATOM 803 C CE . LYS A 1 106 ? -124.278 -53.271 -0.362 1.00 30.54 ? 106 LYS A CE 1 +ATOM 804 N NZ . LYS A 1 106 ? -125.360 -52.806 -1.285 1.00 35.94 ? 106 LYS A NZ 1 +ATOM 805 N N . ALA A 1 107 ? -120.311 -47.532 -0.090 1.00 18.47 ? 107 ALA A N 1 +ATOM 806 C CA . ALA A 1 107 ? -120.066 -46.209 0.478 1.00 18.88 ? 107 ALA A CA 1 +ATOM 807 C C . ALA A 1 107 ? -119.763 -45.227 -0.645 1.00 19.58 ? 107 ALA A C 1 +ATOM 808 O O . ALA A 1 107 ? -120.312 -44.127 -0.677 1.00 19.47 ? 107 ALA A O 1 +ATOM 809 C CB . ALA A 1 107 ? -118.907 -46.254 1.460 1.00 18.06 ? 107 ALA A CB 1 +ATOM 810 N N . MET A 1 108 ? -118.899 -45.632 -1.571 1.00 19.85 ? 108 MET A N 1 +ATOM 811 C CA . MET A 1 108 ? -118.538 -44.766 -2.688 1.00 20.73 ? 108 MET A CA 1 +ATOM 812 C C . MET A 1 108 ? -119.734 -44.509 -3.590 1.00 20.66 ? 108 MET A C 1 +ATOM 813 O O . MET A 1 108 ? -119.851 -43.430 -4.171 1.00 22.00 ? 108 MET A O 1 +ATOM 814 C CB . MET A 1 108 ? -117.407 -45.385 -3.505 1.00 21.92 ? 108 MET A CB 1 +ATOM 815 C CG . MET A 1 108 ? -116.186 -45.722 -2.684 1.00 23.99 ? 108 MET A CG 1 +ATOM 816 S SD . MET A 1 108 ? -114.803 -46.147 -3.736 1.00 27.89 ? 108 MET A SD 1 +ATOM 817 C CE . MET A 1 108 ? -115.181 -47.838 -4.148 1.00 23.61 ? 108 MET A CE 1 +ATOM 818 N N . GLN A 1 109 ? -120.620 -45.494 -3.713 1.00 19.30 ? 109 GLN A N 1 +ATOM 819 C CA . GLN A 1 109 ? -121.800 -45.323 -4.551 1.00 18.26 ? 109 GLN A CA 1 +ATOM 820 C C . GLN A 1 109 ? -122.764 -44.369 -3.867 1.00 17.60 ? 109 GLN A C 1 +ATOM 821 O O . GLN A 1 109 ? -123.320 -43.486 -4.512 1.00 18.13 ? 109 GLN A O 1 +ATOM 822 C CB . GLN A 1 109 ? -122.493 -46.661 -4.803 1.00 18.52 ? 109 GLN A CB 1 +ATOM 823 C CG . GLN A 1 109 ? -121.584 -47.695 -5.421 1.00 21.65 ? 109 GLN A CG 1 +ATOM 824 C CD . GLN A 1 109 ? -122.293 -48.990 -5.725 1.00 22.72 ? 109 GLN A CD 1 +ATOM 825 O OE1 . GLN A 1 109 ? -123.146 -49.443 -4.959 1.00 24.92 ? 109 GLN A OE1 1 +ATOM 826 N NE2 . GLN A 1 109 ? -121.932 -49.608 -6.843 1.00 23.43 ? 109 GLN A NE2 1 +ATOM 827 N N . GLY A 1 110 ? -122.952 -44.544 -2.561 1.00 17.24 ? 110 GLY A N 1 +ATOM 828 C CA . GLY A 1 110 ? -123.851 -43.673 -1.826 1.00 17.32 ? 110 GLY A CA 1 +ATOM 829 C C . GLY A 1 110 ? -123.323 -42.252 -1.820 1.00 18.34 ? 110 GLY A C 1 +ATOM 830 O O . GLY A 1 110 ? -124.078 -41.286 -1.882 1.00 18.90 ? 110 GLY A O 1 +ATOM 831 N N . LEU A 1 111 ? -122.007 -42.126 -1.756 1.00 19.07 ? 111 LEU A N 1 +ATOM 832 C CA . LEU A 1 111 ? -121.355 -40.826 -1.736 1.00 19.08 ? 111 LEU A CA 1 +ATOM 833 C C . LEU A 1 111 ? -121.730 -39.964 -2.933 1.00 19.10 ? 111 LEU A C 1 +ATOM 834 O O . LEU A 1 111 ? -121.908 -38.753 -2.801 1.00 19.17 ? 111 LEU A O 1 +ATOM 835 C CB . LEU A 1 111 ? -119.840 -41.028 -1.726 1.00 19.52 ? 111 LEU A CB 1 +ATOM 836 C CG . LEU A 1 111 ? -118.939 -39.796 -1.791 1.00 19.80 ? 111 LEU A CG 1 +ATOM 837 C CD1 . LEU A 1 111 ? -118.906 -39.135 -0.430 1.00 20.04 ? 111 LEU A CD1 1 +ATOM 838 C CD2 . LEU A 1 111 ? -117.534 -40.210 -2.188 1.00 20.99 ? 111 LEU A CD2 1 +ATOM 839 N N . LEU A 1 112 ? -121.859 -40.602 -4.096 1.00 19.93 ? 112 LEU A N 1 +ATOM 840 C CA . LEU A 1 112 ? -122.153 -39.901 -5.347 1.00 20.39 ? 112 LEU A CA 1 +ATOM 841 C C . LEU A 1 112 ? -123.585 -39.973 -5.859 1.00 20.54 ? 112 LEU A C 1 +ATOM 842 O O . LEU A 1 112 ? -123.881 -39.487 -6.949 1.00 21.32 ? 112 LEU A O 1 +ATOM 843 C CB . LEU A 1 112 ? -121.216 -40.420 -6.436 1.00 20.06 ? 112 LEU A CB 1 +ATOM 844 C CG . LEU A 1 112 ? -119.738 -40.331 -6.075 1.00 21.52 ? 112 LEU A CG 1 +ATOM 845 C CD1 . LEU A 1 112 ? -118.933 -41.207 -7.004 1.00 22.73 ? 112 LEU A CD1 1 +ATOM 846 C CD2 . LEU A 1 112 ? -119.287 -38.890 -6.146 1.00 21.24 ? 112 LEU A CD2 1 +ATOM 847 N N . LYS A 1 113 ? -124.481 -40.575 -5.089 1.00 20.11 ? 113 LYS A N 1 +ATOM 848 C CA . LYS A 1 113 ? -125.864 -40.684 -5.529 1.00 20.54 ? 113 LYS A CA 1 +ATOM 849 C C . LYS A 1 113 ? -126.506 -39.314 -5.763 1.00 20.57 ? 113 LYS A C 1 +ATOM 850 O O . LYS A 1 113 ? -126.241 -38.365 -5.020 1.00 20.46 ? 113 LYS A O 1 +ATOM 851 C CB . LYS A 1 113 ? -126.676 -41.447 -4.495 1.00 21.32 ? 113 LYS A CB 1 +ATOM 852 C CG . LYS A 1 113 ? -128.057 -41.799 -4.975 1.00 25.35 ? 113 LYS A CG 1 +ATOM 853 C CD . LYS A 1 113 ? -128.854 -42.446 -3.874 1.00 28.19 ? 113 LYS A CD 1 +ATOM 854 C CE . LYS A 1 113 ? -130.163 -42.973 -4.409 1.00 30.85 ? 113 LYS A CE 1 +ATOM 855 N NZ . LYS A 1 113 ? -131.068 -43.317 -3.280 1.00 34.77 ? 113 LYS A NZ 1 +ATOM 856 N N . ASP A 1 114 ? -127.353 -39.217 -6.786 1.00 20.18 ? 114 ASP A N 1 +ATOM 857 C CA . ASP A 1 114 ? -128.031 -37.963 -7.095 1.00 21.50 ? 114 ASP A CA 1 +ATOM 858 C C . ASP A 1 114 ? -128.821 -37.421 -5.920 1.00 21.31 ? 114 ASP A C 1 +ATOM 859 O O . ASP A 1 114 ? -129.575 -38.145 -5.272 1.00 20.62 ? 114 ASP A O 1 +ATOM 860 C CB . ASP A 1 114 ? -128.982 -38.124 -8.277 1.00 24.82 ? 114 ASP A CB 1 +ATOM 861 C CG . ASP A 1 114 ? -128.263 -38.122 -9.599 1.00 31.63 ? 114 ASP A CG 1 +ATOM 862 O OD1 . ASP A 1 114 ? -127.415 -37.219 -9.814 1.00 35.75 ? 114 ASP A OD1 1 +ATOM 863 O OD2 . ASP A 1 114 ? -128.547 -39.018 -10.427 1.00 35.64 ? 114 ASP A OD2 1 +ATOM 864 N N . GLY A 1 115 ? -128.645 -36.136 -5.650 1.00 20.22 ? 115 GLY A N 1 +ATOM 865 C CA . GLY A 1 115 ? -129.364 -35.528 -4.553 1.00 19.81 ? 115 GLY A CA 1 +ATOM 866 C C . GLY A 1 115 ? -128.549 -35.411 -3.284 1.00 20.10 ? 115 GLY A C 1 +ATOM 867 O O . GLY A 1 115 ? -128.882 -34.602 -2.414 1.00 21.88 ? 115 GLY A O 1 +ATOM 868 N N . ASN A 1 116 ? -127.489 -36.205 -3.156 1.00 18.72 ? 116 ASN A N 1 +ATOM 869 C CA . ASN A 1 116 ? -126.678 -36.123 -1.950 1.00 17.04 ? 116 ASN A CA 1 +ATOM 870 C C . ASN A 1 116 ? -125.754 -34.914 -2.012 1.00 16.71 ? 116 ASN A C 1 +ATOM 871 O O . ASN A 1 116 ? -125.399 -34.452 -3.094 1.00 16.58 ? 116 ASN A O 1 +ATOM 872 C CB . ASN A 1 116 ? -125.920 -37.431 -1.734 1.00 16.36 ? 116 ASN A CB 1 +ATOM 873 C CG . ASN A 1 116 ? -126.841 -38.550 -1.245 1.00 16.90 ? 116 ASN A CG 1 +ATOM 874 O OD1 . ASN A 1 116 ? -127.946 -38.285 -0.757 1.00 16.87 ? 116 ASN A OD1 1 +ATOM 875 N ND2 . ASN A 1 116 ? -126.388 -39.798 -1.363 1.00 14.84 ? 116 ASN A ND2 1 +ATOM 876 N N . PRO A 1 117 ? -125.359 -34.377 -0.845 1.00 16.75 ? 117 PRO A N 1 +ATOM 877 C CA . PRO A 1 117 ? -124.485 -33.198 -0.746 1.00 16.41 ? 117 PRO A CA 1 +ATOM 878 C C . PRO A 1 117 ? -123.399 -32.988 -1.810 1.00 16.93 ? 117 PRO A C 1 +ATOM 879 O O . PRO A 1 117 ? -123.489 -32.076 -2.629 1.00 17.60 ? 117 PRO A O 1 +ATOM 880 C CB . PRO A 1 117 ? -123.902 -33.322 0.659 1.00 15.38 ? 117 PRO A CB 1 +ATOM 881 C CG . PRO A 1 117 ? -125.021 -33.958 1.419 1.00 15.92 ? 117 PRO A CG 1 +ATOM 882 C CD . PRO A 1 117 ? -125.477 -35.042 0.467 1.00 15.83 ? 117 PRO A CD 1 +ATOM 883 N N . ILE A 1 118 ? -122.380 -33.836 -1.793 1.00 16.51 ? 118 ILE A N 1 +ATOM 884 C CA . ILE A 1 118 ? -121.256 -33.724 -2.707 1.00 16.60 ? 118 ILE A CA 1 +ATOM 885 C C . ILE A 1 118 ? -121.554 -33.603 -4.209 1.00 17.34 ? 118 ILE A C 1 +ATOM 886 O O . ILE A 1 118 ? -121.096 -32.651 -4.850 1.00 17.23 ? 118 ILE A O 1 +ATOM 887 C CB . ILE A 1 118 ? -120.256 -34.863 -2.409 1.00 16.69 ? 118 ILE A CB 1 +ATOM 888 C CG1 . ILE A 1 118 ? -119.657 -34.600 -1.016 1.00 14.93 ? 118 ILE A CG1 1 +ATOM 889 C CG2 . ILE A 1 118 ? -119.176 -34.951 -3.494 1.00 15.04 ? 118 ILE A CG2 1 +ATOM 890 C CD1 . ILE A 1 118 ? -118.986 -35.756 -0.382 1.00 16.58 ? 118 ILE A CD1 1 +ATOM 891 N N . PRO A 1 119 ? -122.303 -34.553 -4.798 1.00 17.46 ? 119 PRO A N 1 +ATOM 892 C CA . PRO A 1 119 ? -122.551 -34.362 -6.231 1.00 17.40 ? 119 PRO A CA 1 +ATOM 893 C C . PRO A 1 119 ? -123.383 -33.108 -6.508 1.00 19.03 ? 119 PRO A C 1 +ATOM 894 O O . PRO A 1 119 ? -123.278 -32.492 -7.571 1.00 19.70 ? 119 PRO A O 1 +ATOM 895 C CB . PRO A 1 119 ? -123.243 -35.663 -6.645 1.00 15.15 ? 119 PRO A CB 1 +ATOM 896 C CG . PRO A 1 119 ? -123.829 -36.176 -5.384 1.00 15.92 ? 119 PRO A CG 1 +ATOM 897 C CD . PRO A 1 119 ? -122.779 -35.871 -4.355 1.00 17.23 ? 119 PRO A CD 1 +ATOM 898 N N . SER A 1 120 ? -124.195 -32.714 -5.535 1.00 20.65 ? 120 SER A N 1 +ATOM 899 C CA . SER A 1 120 ? -125.025 -31.522 -5.668 1.00 21.82 ? 120 SER A CA 1 +ATOM 900 C C . SER A 1 120 ? -124.147 -30.279 -5.734 1.00 22.34 ? 120 SER A C 1 +ATOM 901 O O . SER A 1 120 ? -124.448 -29.332 -6.453 1.00 24.03 ? 120 SER A O 1 +ATOM 902 C CB . SER A 1 120 ? -125.966 -31.397 -4.471 1.00 21.48 ? 120 SER A CB 1 +ATOM 903 O OG . SER A 1 120 ? -126.785 -32.548 -4.357 1.00 25.10 ? 120 SER A OG 1 +ATOM 904 N N . ALA A 1 121 ? -123.058 -30.293 -4.973 1.00 22.13 ? 121 ALA A N 1 +ATOM 905 C CA . ALA A 1 121 ? -122.150 -29.162 -4.929 1.00 22.03 ? 121 ALA A CA 1 +ATOM 906 C C . ALA A 1 121 ? -121.335 -29.077 -6.203 1.00 22.10 ? 121 ALA A C 1 +ATOM 907 O O . ALA A 1 121 ? -121.220 -28.014 -6.811 1.00 22.54 ? 121 ALA A O 1 +ATOM 908 C CB . ALA A 1 121 ? -121.229 -29.290 -3.730 1.00 22.58 ? 121 ALA A CB 1 +ATOM 909 N N . ILE A 1 122 ? -120.763 -30.208 -6.601 1.00 21.94 ? 122 ILE A N 1 +ATOM 910 C CA . ILE A 1 122 ? -119.945 -30.270 -7.802 1.00 21.02 ? 122 ILE A CA 1 +ATOM 911 C C . ILE A 1 122 ? -120.747 -29.823 -9.012 1.00 21.81 ? 122 ILE A C 1 +ATOM 912 O O . ILE A 1 122 ? -120.300 -28.983 -9.784 1.00 21.49 ? 122 ILE A O 1 +ATOM 913 C CB . ILE A 1 122 ? -119.446 -31.701 -8.044 1.00 20.28 ? 122 ILE A CB 1 +ATOM 914 C CG1 . ILE A 1 122 ? -118.556 -32.136 -6.883 1.00 19.06 ? 122 ILE A CG1 1 +ATOM 915 C CG2 . ILE A 1 122 ? -118.701 -31.786 -9.362 1.00 18.83 ? 122 ILE A CG2 1 +ATOM 916 C CD1 . ILE A 1 122 ? -118.160 -33.584 -6.945 1.00 19.11 ? 122 ILE A CD1 1 +ATOM 917 N N . ALA A 1 123 ? -121.944 -30.379 -9.162 1.00 22.24 ? 123 ALA A N 1 +ATOM 918 C CA . ALA A 1 123 ? -122.802 -30.059 -10.301 1.00 22.36 ? 123 ALA A CA 1 +ATOM 919 C C . ALA A 1 123 ? -123.228 -28.603 -10.362 1.00 22.97 ? 123 ALA A C 1 +ATOM 920 O O . ALA A 1 123 ? -123.648 -28.126 -11.416 1.00 24.77 ? 123 ALA A O 1 +ATOM 921 C CB . ALA A 1 123 ? -124.035 -30.955 -10.291 1.00 20.45 ? 123 ALA A CB 1 +ATOM 922 N N . ALA A 1 124 ? -123.118 -27.887 -9.248 1.00 22.87 ? 124 ALA A N 1 +ATOM 923 C CA . ALA A 1 124 ? -123.529 -26.493 -9.233 1.00 22.70 ? 124 ALA A CA 1 +ATOM 924 C C . ALA A 1 124 ? -122.382 -25.499 -9.070 1.00 23.87 ? 124 ALA A C 1 +ATOM 925 O O . ALA A 1 124 ? -122.621 -24.328 -8.784 1.00 24.93 ? 124 ALA A O 1 +ATOM 926 C CB . ALA A 1 124 ? -124.559 -26.276 -8.144 1.00 21.12 ? 124 ALA A CB 1 +ATOM 927 N N . ASN A 1 125 ? -121.145 -25.952 -9.260 1.00 23.95 ? 125 ASN A N 1 +ATOM 928 C CA . ASN A 1 125 ? -119.996 -25.065 -9.120 1.00 24.10 ? 125 ASN A CA 1 +ATOM 929 C C . ASN A 1 125 ? -120.053 -24.362 -7.777 1.00 24.57 ? 125 ASN A C 1 +ATOM 930 O O . ASN A 1 125 ? -119.826 -23.159 -7.684 1.00 25.76 ? 125 ASN A O 1 +ATOM 931 C CB . ASN A 1 125 ? -119.999 -24.022 -10.234 1.00 23.75 ? 125 ASN A CB 1 +ATOM 932 C CG . ASN A 1 125 ? -119.329 -24.515 -11.493 1.00 24.27 ? 125 ASN A CG 1 +ATOM 933 O OD1 . ASN A 1 125 ? -118.122 -24.766 -11.506 1.00 23.51 ? 125 ASN A OD1 1 +ATOM 934 N ND2 . ASN A 1 125 ? -120.102 -24.659 -12.564 1.00 23.28 ? 125 ASN A ND2 1 +ATOM 935 N N . SER A 1 126 ? -120.357 -25.125 -6.735 1.00 25.22 ? 126 SER A N 1 +ATOM 936 C CA . SER A 1 126 ? -120.469 -24.583 -5.385 1.00 25.26 ? 126 SER A CA 1 +ATOM 937 C C . SER A 1 126 ? -119.647 -25.380 -4.376 1.00 24.89 ? 126 SER A C 1 +ATOM 938 O O . SER A 1 126 ? -119.039 -26.396 -4.719 1.00 24.61 ? 126 SER A O 1 +ATOM 939 C CB . SER A 1 126 ? -121.938 -24.599 -4.958 1.00 25.34 ? 126 SER A CB 1 +ATOM 940 O OG . SER A 1 126 ? -122.067 -24.787 -3.561 1.00 28.03 ? 126 SER A OG 1 +ATOM 941 N N . GLY A 1 127 ? -119.622 -24.899 -3.138 1.00 23.75 ? 127 GLY A N 1 +ATOM 942 C CA . GLY A 1 127 ? -118.916 -25.596 -2.081 1.00 23.97 ? 127 GLY A CA 1 +ATOM 943 C C . GLY A 1 127 ? -119.988 -26.176 -1.171 1.00 24.26 ? 127 GLY A C 1 +ATOM 944 O O . GLY A 1 127 ? -121.177 -26.078 -1.480 1.00 23.44 ? 127 GLY A O 1 +ATOM 945 N N . ILE A 1 128 ? -119.591 -26.793 -0.060 1.00 24.66 ? 128 ILE A N 1 +ATOM 946 C CA . ILE A 1 128 ? -120.564 -27.348 0.880 1.00 23.92 ? 128 ILE A CA 1 +ATOM 947 C C . ILE A 1 128 ? -120.861 -26.272 1.916 1.00 23.76 ? 128 ILE A C 1 +ATOM 948 O O . ILE A 1 128 ? -119.936 -25.663 2.454 1.00 23.91 ? 128 ILE A O 1 +ATOM 949 C CB . ILE A 1 128 ? -120.006 -28.573 1.627 1.00 23.61 ? 128 ILE A CB 1 +ATOM 950 C CG1 . ILE A 1 128 ? -119.657 -29.685 0.642 1.00 23.36 ? 128 ILE A CG1 1 +ATOM 951 C CG2 . ILE A 1 128 ? -121.022 -29.064 2.633 1.00 23.11 ? 128 ILE A CG2 1 +ATOM 952 C CD1 . ILE A 1 128 ? -120.844 -30.223 -0.114 1.00 24.91 ? 128 ILE A CD1 1 +ATOM 953 N N . TYR A 1 129 ? -122.137 -26.034 2.199 1.00 22.81 ? 129 TYR A N 1 +ATOM 954 C CA . TYR A 1 129 ? -122.509 -25.017 3.180 1.00 22.87 ? 129 TYR A CA 1 +ATOM 955 C C . TYR A 1 129 ? -123.936 -25.203 3.693 1.00 23.08 ? 129 TYR A C 1 +ATOM 956 O O . TYR A 1 129 ? -124.722 -25.944 3.063 1.00 23.72 ? 129 TYR A O 1 +ATOM 957 C CB . TYR A 1 129 ? -122.362 -23.628 2.560 1.00 22.46 ? 129 TYR A CB 1 +ATOM 958 C CG . TYR A 1 129 ? -123.304 -23.390 1.405 1.00 24.36 ? 129 TYR A CG 1 +ATOM 959 C CD1 . TYR A 1 129 ? -122.969 -23.795 0.112 1.00 25.54 ? 129 TYR A CD1 1 +ATOM 960 C CD2 . TYR A 1 129 ? -124.546 -22.789 1.603 1.00 24.51 ? 129 TYR A CD2 1 +ATOM 961 C CE1 . TYR A 1 129 ? -123.848 -23.608 -0.952 1.00 25.72 ? 129 TYR A CE1 1 +ATOM 962 C CE2 . TYR A 1 129 ? -125.430 -22.598 0.546 1.00 24.76 ? 129 TYR A CE2 1 +ATOM 963 C CZ . TYR A 1 129 ? -125.074 -23.011 -0.726 1.00 26.22 ? 129 TYR A CZ 1 +ATOM 964 O OH . TYR A 1 129 ? -125.952 -22.836 -1.767 1.00 29.22 ? 129 TYR A OH 1 +ATOM 965 O OXT . TYR A 1 129 ? -124.259 -24.587 4.725 1.00 23.79 ? 129 TYR A OXT 1 +ATOM 966 N N . ALA B 1 1 ? -47.632 -13.982 -121.236 1.00 48.51 ? 1 ALA B N 1 +ATOM 967 C CA . ALA B 1 1 ? -49.092 -13.746 -121.434 1.00 48.08 ? 1 ALA B CA 1 +ATOM 968 C C . ALA B 1 1 ? -49.613 -12.689 -120.455 1.00 46.97 ? 1 ALA B C 1 +ATOM 969 O O . ALA B 1 1 ? -50.192 -13.032 -119.419 1.00 48.46 ? 1 ALA B O 1 +ATOM 970 C CB . ALA B 1 1 ? -49.868 -15.064 -121.255 1.00 47.87 ? 1 ALA B CB 1 +ATOM 971 N N . SER B 1 2 ? -49.393 -11.415 -120.782 1.00 43.33 ? 2 SER B N 1 +ATOM 972 C CA . SER B 1 2 ? -49.851 -10.310 -119.940 1.00 39.65 ? 2 SER B CA 1 +ATOM 973 C C . SER B 1 2 ? -51.299 -10.546 -119.517 1.00 37.12 ? 2 SER B C 1 +ATOM 974 O O . SER B 1 2 ? -52.217 -10.357 -120.316 1.00 38.48 ? 2 SER B O 1 +ATOM 975 C CB . SER B 1 2 ? -49.763 -8.991 -120.704 1.00 39.41 ? 2 SER B CB 1 +ATOM 976 O OG . SER B 1 2 ? -50.258 -7.921 -119.912 1.00 40.63 ? 2 SER B OG 1 +ATOM 977 N N . ASN B 1 3 ? -51.500 -10.945 -118.265 1.00 32.35 ? 3 ASN B N 1 +ATOM 978 C CA . ASN B 1 3 ? -52.837 -11.233 -117.775 1.00 28.54 ? 3 ASN B CA 1 +ATOM 979 C C . ASN B 1 3 ? -53.512 -10.101 -117.019 1.00 27.22 ? 3 ASN B C 1 +ATOM 980 O O . ASN B 1 3 ? -54.666 -10.229 -116.610 1.00 27.72 ? 3 ASN B O 1 +ATOM 981 C CB . ASN B 1 3 ? -52.807 -12.483 -116.894 1.00 29.60 ? 3 ASN B CB 1 +ATOM 982 C CG . ASN B 1 3 ? -51.560 -12.564 -116.024 1.00 30.57 ? 3 ASN B CG 1 +ATOM 983 O OD1 . ASN B 1 3 ? -51.160 -11.586 -115.388 1.00 30.67 ? 3 ASN B OD1 1 +ATOM 984 N ND2 . ASN B 1 3 ? -50.947 -13.744 -115.984 1.00 32.36 ? 3 ASN B ND2 1 +ATOM 985 N N . PHE B 1 4 ? -52.820 -8.989 -116.829 1.00 24.47 ? 4 PHE B N 1 +ATOM 986 C CA . PHE B 1 4 ? -53.438 -7.900 -116.100 1.00 21.54 ? 4 PHE B CA 1 +ATOM 987 C C . PHE B 1 4 ? -54.376 -7.130 -117.017 1.00 21.48 ? 4 PHE B C 1 +ATOM 988 O O . PHE B 1 4 ? -54.022 -6.074 -117.549 1.00 22.11 ? 4 PHE B O 1 +ATOM 989 C CB . PHE B 1 4 ? -52.369 -6.975 -115.509 1.00 18.92 ? 4 PHE B CB 1 +ATOM 990 C CG . PHE B 1 4 ? -52.897 -6.017 -114.468 1.00 18.63 ? 4 PHE B CG 1 +ATOM 991 C CD1 . PHE B 1 4 ? -54.075 -6.292 -113.775 1.00 18.49 ? 4 PHE B CD1 1 +ATOM 992 C CD2 . PHE B 1 4 ? -52.194 -4.860 -114.147 1.00 17.65 ? 4 PHE B CD2 1 +ATOM 993 C CE1 . PHE B 1 4 ? -54.540 -5.431 -112.780 1.00 17.38 ? 4 PHE B CE1 1 +ATOM 994 C CE2 . PHE B 1 4 ? -52.650 -3.988 -113.148 1.00 16.46 ? 4 PHE B CE2 1 +ATOM 995 C CZ . PHE B 1 4 ? -53.822 -4.274 -112.466 1.00 17.17 ? 4 PHE B CZ 1 +ATOM 996 N N . THR B 1 5 ? -55.579 -7.667 -117.206 1.00 21.38 ? 5 THR B N 1 +ATOM 997 C CA . THR B 1 5 ? -56.572 -7.019 -118.060 1.00 21.34 ? 5 THR B CA 1 +ATOM 998 C C . THR B 1 5 ? -57.975 -7.021 -117.472 1.00 21.65 ? 5 THR B C 1 +ATOM 999 O O . THR B 1 5 ? -58.278 -7.721 -116.504 1.00 21.70 ? 5 THR B O 1 +ATOM 1000 C CB . THR B 1 5 ? -56.684 -7.697 -119.433 1.00 20.65 ? 5 THR B CB 1 +ATOM 1001 O OG1 . THR B 1 5 ? -57.320 -8.967 -119.276 1.00 20.70 ? 5 THR B OG1 1 +ATOM 1002 C CG2 . THR B 1 5 ? -55.315 -7.896 -120.046 1.00 22.03 ? 5 THR B CG2 1 +ATOM 1003 N N . GLN B 1 6 ? -58.828 -6.229 -118.102 1.00 21.69 ? 6 GLN B N 1 +ATOM 1004 C CA . GLN B 1 6 ? -60.221 -6.074 -117.733 1.00 21.58 ? 6 GLN B CA 1 +ATOM 1005 C C . GLN B 1 6 ? -60.927 -7.418 -117.843 1.00 20.13 ? 6 GLN B C 1 +ATOM 1006 O O . GLN B 1 6 ? -60.515 -8.263 -118.634 1.00 21.38 ? 6 GLN B O 1 +ATOM 1007 C CB . GLN B 1 6 ? -60.836 -5.072 -118.689 1.00 24.36 ? 6 GLN B CB 1 +ATOM 1008 C CG . GLN B 1 6 ? -62.322 -5.000 -118.678 1.00 31.56 ? 6 GLN B CG 1 +ATOM 1009 C CD . GLN B 1 6 ? -62.818 -3.977 -119.673 1.00 36.04 ? 6 GLN B CD 1 +ATOM 1010 O OE1 . GLN B 1 6 ? -62.624 -4.130 -120.883 1.00 38.03 ? 6 GLN B OE1 1 +ATOM 1011 N NE2 . GLN B 1 6 ? -63.446 -2.914 -119.170 1.00 38.22 ? 6 GLN B NE2 1 +ATOM 1012 N N . PHE B 1 7 ? -61.975 -7.631 -117.051 1.00 17.77 ? 7 PHE B N 1 +ATOM 1013 C CA . PHE B 1 7 ? -62.705 -8.892 -117.110 1.00 15.78 ? 7 PHE B CA 1 +ATOM 1014 C C . PHE B 1 7 ? -64.058 -8.806 -116.406 1.00 15.95 ? 7 PHE B C 1 +ATOM 1015 O O . PHE B 1 7 ? -64.253 -7.977 -115.509 1.00 16.45 ? 7 PHE B O 1 +ATOM 1016 C CB . PHE B 1 7 ? -61.855 -10.030 -116.522 1.00 14.84 ? 7 PHE B CB 1 +ATOM 1017 C CG . PHE B 1 7 ? -61.745 -10.015 -115.018 1.00 14.85 ? 7 PHE B CG 1 +ATOM 1018 C CD1 . PHE B 1 7 ? -62.662 -10.706 -114.228 1.00 15.07 ? 7 PHE B CD1 1 +ATOM 1019 C CD2 . PHE B 1 7 ? -60.706 -9.335 -114.386 1.00 14.90 ? 7 PHE B CD2 1 +ATOM 1020 C CE1 . PHE B 1 7 ? -62.541 -10.717 -112.830 1.00 14.60 ? 7 PHE B CE1 1 +ATOM 1021 C CE2 . PHE B 1 7 ? -60.584 -9.343 -112.987 1.00 12.93 ? 7 PHE B CE2 1 +ATOM 1022 C CZ . PHE B 1 7 ? -61.500 -10.035 -112.215 1.00 13.09 ? 7 PHE B CZ 1 +ATOM 1023 N N . VAL B 1 8 ? -64.992 -9.657 -116.825 1.00 14.94 ? 8 VAL B N 1 +ATOM 1024 C CA . VAL B 1 8 ? -66.334 -9.672 -116.249 1.00 14.29 ? 8 VAL B CA 1 +ATOM 1025 C C . VAL B 1 8 ? -66.365 -10.355 -114.885 1.00 14.65 ? 8 VAL B C 1 +ATOM 1026 O O . VAL B 1 8 ? -66.148 -11.566 -114.784 1.00 15.07 ? 8 VAL B O 1 +ATOM 1027 C CB . VAL B 1 8 ? -67.324 -10.386 -117.205 1.00 13.27 ? 8 VAL B CB 1 +ATOM 1028 C CG1 . VAL B 1 8 ? -68.720 -10.480 -116.584 1.00 12.22 ? 8 VAL B CG1 1 +ATOM 1029 C CG2 . VAL B 1 8 ? -67.403 -9.623 -118.492 1.00 12.70 ? 8 VAL B CG2 1 +ATOM 1030 N N . LEU B 1 9 ? -66.638 -9.582 -113.839 1.00 14.65 ? 9 LEU B N 1 +ATOM 1031 C CA . LEU B 1 9 ? -66.695 -10.134 -112.493 1.00 16.32 ? 9 LEU B CA 1 +ATOM 1032 C C . LEU B 1 9 ? -68.072 -10.733 -112.222 1.00 18.34 ? 9 LEU B C 1 +ATOM 1033 O O . LEU B 1 9 ? -68.187 -11.882 -111.778 1.00 18.64 ? 9 LEU B O 1 +ATOM 1034 C CB . LEU B 1 9 ? -66.400 -9.056 -111.456 1.00 15.46 ? 9 LEU B CB 1 +ATOM 1035 C CG . LEU B 1 9 ? -66.328 -9.596 -110.023 1.00 16.30 ? 9 LEU B CG 1 +ATOM 1036 C CD1 . LEU B 1 9 ? -65.102 -10.503 -109.867 1.00 15.11 ? 9 LEU B CD1 1 +ATOM 1037 C CD2 . LEU B 1 9 ? -66.271 -8.431 -109.038 1.00 15.07 ? 9 LEU B CD2 1 +ATOM 1038 N N . VAL B 1 10 ? -69.112 -9.944 -112.481 1.00 20.08 ? 10 VAL B N 1 +ATOM 1039 C CA . VAL B 1 10 ? -70.489 -10.395 -112.278 1.00 22.16 ? 10 VAL B CA 1 +ATOM 1040 C C . VAL B 1 10 ? -71.153 -10.569 -113.628 1.00 25.09 ? 10 VAL B C 1 +ATOM 1041 O O . VAL B 1 10 ? -71.420 -9.601 -114.331 1.00 24.91 ? 10 VAL B O 1 +ATOM 1042 C CB . VAL B 1 10 ? -71.317 -9.377 -111.463 1.00 20.53 ? 10 VAL B CB 1 +ATOM 1043 C CG1 . VAL B 1 10 ? -72.779 -9.789 -111.443 1.00 17.51 ? 10 VAL B CG1 1 +ATOM 1044 C CG2 . VAL B 1 10 ? -70.786 -9.299 -110.051 1.00 19.26 ? 10 VAL B CG2 1 +ATOM 1045 N N . ASP B 1 11 ? -71.421 -11.811 -113.996 1.00 28.91 ? 11 ASP B N 1 +ATOM 1046 C CA . ASP B 1 11 ? -72.049 -12.074 -115.271 1.00 32.74 ? 11 ASP B CA 1 +ATOM 1047 C C . ASP B 1 11 ? -73.558 -12.227 -115.184 1.00 34.84 ? 11 ASP B C 1 +ATOM 1048 O O . ASP B 1 11 ? -74.066 -13.224 -114.670 1.00 34.56 ? 11 ASP B O 1 +ATOM 1049 C CB . ASP B 1 11 ? -71.453 -13.324 -115.904 1.00 34.51 ? 11 ASP B CB 1 +ATOM 1050 C CG . ASP B 1 11 ? -72.233 -13.779 -117.114 1.00 36.47 ? 11 ASP B CG 1 +ATOM 1051 O OD1 . ASP B 1 11 ? -72.719 -12.904 -117.864 1.00 38.84 ? 11 ASP B OD1 1 +ATOM 1052 O OD2 . ASP B 1 11 ? -72.355 -15.006 -117.323 1.00 38.23 ? 11 ASP B OD2 1 +ATOM 1053 N N . ASN B 1 12 ? -74.268 -11.221 -115.680 1.00 37.92 ? 12 ASN B N 1 +ATOM 1054 C CA . ASN B 1 12 ? -75.722 -11.250 -115.703 1.00 41.91 ? 12 ASN B CA 1 +ATOM 1055 C C . ASN B 1 12 ? -76.185 -11.484 -117.136 1.00 44.23 ? 12 ASN B C 1 +ATOM 1056 O O . ASN B 1 12 ? -77.221 -10.979 -117.561 1.00 45.35 ? 12 ASN B O 1 +ATOM 1057 C CB . ASN B 1 12 ? -76.295 -9.946 -115.168 1.00 42.24 ? 12 ASN B CB 1 +ATOM 1058 C CG . ASN B 1 12 ? -76.177 -9.853 -113.674 1.00 44.87 ? 12 ASN B CG 1 +ATOM 1059 O OD1 . ASN B 1 12 ? -76.495 -10.811 -112.969 1.00 46.10 ? 12 ASN B OD1 1 +ATOM 1060 N ND2 . ASN B 1 12 ? -75.721 -8.706 -113.173 1.00 45.29 ? 12 ASN B ND2 1 +ATOM 1061 N N . GLY B 1 13 ? -75.397 -12.257 -117.877 1.00 45.57 ? 13 GLY B N 1 +ATOM 1062 C CA . GLY B 1 13 ? -75.731 -12.562 -119.252 1.00 48.01 ? 13 GLY B CA 1 +ATOM 1063 C C . GLY B 1 13 ? -75.792 -11.366 -120.184 1.00 50.05 ? 13 GLY B C 1 +ATOM 1064 O O . GLY B 1 13 ? -76.869 -11.008 -120.664 1.00 51.04 ? 13 GLY B O 1 +ATOM 1065 N N . GLY B 1 14 ? -74.647 -10.738 -120.433 1.00 51.32 ? 14 GLY B N 1 +ATOM 1066 C CA . GLY B 1 14 ? -74.589 -9.601 -121.343 1.00 52.28 ? 14 GLY B CA 1 +ATOM 1067 C C . GLY B 1 14 ? -75.190 -8.269 -120.912 1.00 52.88 ? 14 GLY B C 1 +ATOM 1068 O O . GLY B 1 14 ? -74.572 -7.215 -121.090 1.00 53.77 ? 14 GLY B O 1 +ATOM 1069 N N . THR B 1 15 ? -76.391 -8.300 -120.347 1.00 52.04 ? 15 THR B N 1 +ATOM 1070 C CA . THR B 1 15 ? -77.042 -7.067 -119.923 1.00 51.75 ? 15 THR B CA 1 +ATOM 1071 C C . THR B 1 15 ? -76.977 -6.863 -118.397 1.00 50.55 ? 15 THR B C 1 +ATOM 1072 O O . THR B 1 15 ? -77.541 -7.642 -117.613 1.00 50.13 ? 15 THR B O 1 +ATOM 1073 C CB . THR B 1 15 ? -78.515 -7.039 -120.416 1.00 53.44 ? 15 THR B CB 1 +ATOM 1074 O OG1 . THR B 1 15 ? -79.001 -5.692 -120.382 1.00 53.48 ? 15 THR B OG1 1 +ATOM 1075 C CG2 . THR B 1 15 ? -79.409 -7.941 -119.541 1.00 53.64 ? 15 THR B CG2 1 +ATOM 1076 N N . GLY B 1 16 ? -76.274 -5.810 -117.981 1.00 47.96 ? 16 GLY B N 1 +ATOM 1077 C CA . GLY B 1 16 ? -76.139 -5.532 -116.561 1.00 43.74 ? 16 GLY B CA 1 +ATOM 1078 C C . GLY B 1 16 ? -74.932 -6.228 -115.953 1.00 40.63 ? 16 GLY B C 1 +ATOM 1079 O O . GLY B 1 16 ? -74.850 -6.400 -114.738 1.00 40.05 ? 16 GLY B O 1 +ATOM 1080 N N . ASP B 1 17 ? -73.994 -6.641 -116.798 1.00 37.27 ? 17 ASP B N 1 +ATOM 1081 C CA . ASP B 1 17 ? -72.793 -7.307 -116.322 1.00 33.91 ? 17 ASP B CA 1 +ATOM 1082 C C . ASP B 1 17 ? -71.927 -6.294 -115.597 1.00 31.62 ? 17 ASP B C 1 +ATOM 1083 O O . ASP B 1 17 ? -71.997 -5.099 -115.876 1.00 32.97 ? 17 ASP B O 1 +ATOM 1084 C CB . ASP B 1 17 ? -72.004 -7.887 -117.494 1.00 34.26 ? 17 ASP B CB 1 +ATOM 1085 C CG . ASP B 1 17 ? -72.777 -8.941 -118.253 1.00 34.91 ? 17 ASP B CG 1 +ATOM 1086 O OD1 . ASP B 1 17 ? -73.882 -9.311 -117.799 1.00 34.55 ? 17 ASP B OD1 1 +ATOM 1087 O OD2 . ASP B 1 17 ? -72.277 -9.408 -119.302 1.00 34.77 ? 17 ASP B OD2 1 +ATOM 1088 N N . VAL B 1 18 ? -71.120 -6.763 -114.657 1.00 28.33 ? 18 VAL B N 1 +ATOM 1089 C CA . VAL B 1 18 ? -70.233 -5.867 -113.942 1.00 24.91 ? 18 VAL B CA 1 +ATOM 1090 C C . VAL B 1 18 ? -68.820 -6.176 -114.398 1.00 24.50 ? 18 VAL B C 1 +ATOM 1091 O O . VAL B 1 18 ? -68.311 -7.280 -114.202 1.00 24.12 ? 18 VAL B O 1 +ATOM 1092 C CB . VAL B 1 18 ? -70.318 -6.055 -112.421 1.00 23.64 ? 18 VAL B CB 1 +ATOM 1093 C CG1 . VAL B 1 18 ? -69.353 -5.103 -111.734 1.00 20.71 ? 18 VAL B CG1 1 +ATOM 1094 C CG2 . VAL B 1 18 ? -71.734 -5.808 -111.946 1.00 20.12 ? 18 VAL B CG2 1 +ATOM 1095 N N . THR B 1 19 ? -68.203 -5.198 -115.042 1.00 24.69 ? 19 THR B N 1 +ATOM 1096 C CA . THR B 1 19 ? -66.848 -5.346 -115.523 1.00 24.09 ? 19 THR B CA 1 +ATOM 1097 C C . THR B 1 19 ? -65.938 -4.648 -114.544 1.00 23.06 ? 19 THR B C 1 +ATOM 1098 O O . THR B 1 19 ? -66.246 -3.570 -114.032 1.00 23.39 ? 19 THR B O 1 +ATOM 1099 C CB . THR B 1 19 ? -66.669 -4.723 -116.896 1.00 25.10 ? 19 THR B CB 1 +ATOM 1100 O OG1 . THR B 1 19 ? -67.470 -5.435 -117.840 1.00 27.35 ? 19 THR B OG1 1 +ATOM 1101 C CG2 . THR B 1 19 ? -65.229 -4.802 -117.324 1.00 25.95 ? 19 THR B CG2 1 +ATOM 1102 N N . VAL B 1 20 ? -64.811 -5.283 -114.289 1.00 21.30 ? 20 VAL B N 1 +ATOM 1103 C CA . VAL B 1 20 ? -63.836 -4.771 -113.360 1.00 19.83 ? 20 VAL B CA 1 +ATOM 1104 C C . VAL B 1 20 ? -62.595 -4.548 -114.227 1.00 19.70 ? 20 VAL B C 1 +ATOM 1105 O O . VAL B 1 20 ? -62.266 -5.397 -115.058 1.00 19.84 ? 20 VAL B O 1 +ATOM 1106 C CB . VAL B 1 20 ? -63.665 -5.827 -112.238 1.00 19.47 ? 20 VAL B CB 1 +ATOM 1107 C CG1 . VAL B 1 20 ? -62.290 -6.416 -112.254 1.00 20.08 ? 20 VAL B CG1 1 +ATOM 1108 C CG2 . VAL B 1 20 ? -64.022 -5.221 -110.908 1.00 18.76 ? 20 VAL B CG2 1 +ATOM 1109 N N . ALA B 1 21 ? -61.931 -3.405 -114.065 1.00 19.30 ? 21 ALA B N 1 +ATOM 1110 C CA . ALA B 1 21 ? -60.760 -3.082 -114.885 1.00 19.59 ? 21 ALA B CA 1 +ATOM 1111 C C . ALA B 1 21 ? -59.546 -2.641 -114.074 1.00 20.19 ? 21 ALA B C 1 +ATOM 1112 O O . ALA B 1 21 ? -59.688 -1.952 -113.071 1.00 20.53 ? 21 ALA B O 1 +ATOM 1113 C CB . ALA B 1 21 ? -61.124 -2.008 -115.870 1.00 19.22 ? 21 ALA B CB 1 +ATOM 1114 N N . PRO B 1 22 ? -58.328 -3.014 -114.516 1.00 20.85 ? 22 PRO B N 1 +ATOM 1115 C CA . PRO B 1 22 ? -57.102 -2.640 -113.796 1.00 20.38 ? 22 PRO B CA 1 +ATOM 1116 C C . PRO B 1 22 ? -57.074 -1.183 -113.373 1.00 20.06 ? 22 PRO B C 1 +ATOM 1117 O O . PRO B 1 22 ? -57.339 -0.301 -114.181 1.00 20.27 ? 22 PRO B O 1 +ATOM 1118 C CB . PRO B 1 22 ? -55.985 -3.002 -114.781 1.00 19.37 ? 22 PRO B CB 1 +ATOM 1119 C CG . PRO B 1 22 ? -56.675 -3.060 -116.106 1.00 20.18 ? 22 PRO B CG 1 +ATOM 1120 C CD . PRO B 1 22 ? -57.993 -3.676 -115.788 1.00 20.17 ? 22 PRO B CD 1 +ATOM 1121 N N . SER B 1 23 ? -56.752 -0.944 -112.104 1.00 19.92 ? 23 SER B N 1 +ATOM 1122 C CA . SER B 1 23 ? -56.715 0.405 -111.564 1.00 20.68 ? 23 SER B CA 1 +ATOM 1123 C C . SER B 1 23 ? -55.471 0.758 -110.744 1.00 21.62 ? 23 SER B C 1 +ATOM 1124 O O . SER B 1 23 ? -55.271 1.921 -110.399 1.00 22.82 ? 23 SER B O 1 +ATOM 1125 C CB . SER B 1 23 ? -57.956 0.637 -110.705 1.00 21.46 ? 23 SER B CB 1 +ATOM 1126 O OG . SER B 1 23 ? -58.007 -0.296 -109.635 1.00 22.98 ? 23 SER B OG 1 +ATOM 1127 N N . ASN B 1 24 ? -54.639 -0.222 -110.414 1.00 22.34 ? 24 ASN B N 1 +ATOM 1128 C CA . ASN B 1 24 ? -53.438 0.072 -109.640 1.00 23.57 ? 24 ASN B CA 1 +ATOM 1129 C C . ASN B 1 24 ? -52.479 -1.116 -109.647 1.00 24.89 ? 24 ASN B C 1 +ATOM 1130 O O . ASN B 1 24 ? -52.911 -2.264 -109.742 1.00 25.27 ? 24 ASN B O 1 +ATOM 1131 C CB . ASN B 1 24 ? -53.828 0.437 -108.205 1.00 22.71 ? 24 ASN B CB 1 +ATOM 1132 C CG . ASN B 1 24 ? -52.746 1.218 -107.482 1.00 22.95 ? 24 ASN B CG 1 +ATOM 1133 O OD1 . ASN B 1 24 ? -51.693 1.510 -108.043 1.00 26.40 ? 24 ASN B OD1 1 +ATOM 1134 N ND2 . ASN B 1 24 ? -53.004 1.565 -106.233 1.00 21.30 ? 24 ASN B ND2 1 +ATOM 1135 N N . PHE B 1 25 ? -51.179 -0.842 -109.559 1.00 26.49 ? 25 PHE B N 1 +ATOM 1136 C CA . PHE B 1 25 ? -50.185 -1.906 -109.557 1.00 29.49 ? 25 PHE B CA 1 +ATOM 1137 C C . PHE B 1 25 ? -49.065 -1.619 -108.565 1.00 30.10 ? 25 PHE B C 1 +ATOM 1138 O O . PHE B 1 25 ? -47.977 -2.194 -108.653 1.00 30.96 ? 25 PHE B O 1 +ATOM 1139 C CB . PHE B 1 25 ? -49.581 -2.083 -110.948 1.00 31.46 ? 25 PHE B CB 1 +ATOM 1140 C CG . PHE B 1 25 ? -49.028 -3.461 -111.197 1.00 34.50 ? 25 PHE B CG 1 +ATOM 1141 C CD1 . PHE B 1 25 ? -49.734 -4.592 -110.797 1.00 36.04 ? 25 PHE B CD1 1 +ATOM 1142 C CD2 . PHE B 1 25 ? -47.813 -3.634 -111.850 1.00 37.23 ? 25 PHE B CD2 1 +ATOM 1143 C CE1 . PHE B 1 25 ? -49.237 -5.882 -111.050 1.00 37.68 ? 25 PHE B CE1 1 +ATOM 1144 C CE2 . PHE B 1 25 ? -47.308 -4.922 -112.109 1.00 38.68 ? 25 PHE B CE2 1 +ATOM 1145 C CZ . PHE B 1 25 ? -48.022 -6.044 -111.706 1.00 36.85 ? 25 PHE B CZ 1 +ATOM 1146 N N . ALA B 1 26 ? -49.338 -0.728 -107.622 1.00 29.97 ? 26 ALA B N 1 +ATOM 1147 C CA . ALA B 1 26 ? -48.355 -0.365 -106.615 1.00 30.39 ? 26 ALA B CA 1 +ATOM 1148 C C . ALA B 1 26 ? -47.967 -1.585 -105.794 1.00 30.81 ? 26 ALA B C 1 +ATOM 1149 O O . ALA B 1 26 ? -48.841 -2.288 -105.290 1.00 30.51 ? 26 ALA B O 1 +ATOM 1150 C CB . ALA B 1 26 ? -48.921 0.714 -105.705 1.00 29.87 ? 26 ALA B CB 1 +ATOM 1151 N N . ASN B 1 27 ? -46.660 -1.829 -105.677 1.00 32.01 ? 27 ASN B N 1 +ATOM 1152 C CA . ASN B 1 27 ? -46.116 -2.954 -104.912 1.00 32.45 ? 27 ASN B CA 1 +ATOM 1153 C C . ASN B 1 27 ? -46.450 -4.337 -105.453 1.00 32.01 ? 27 ASN B C 1 +ATOM 1154 O O . ASN B 1 27 ? -46.711 -5.258 -104.681 1.00 31.88 ? 27 ASN B O 1 +ATOM 1155 C CB . ASN B 1 27 ? -46.582 -2.868 -103.466 1.00 34.08 ? 27 ASN B CB 1 +ATOM 1156 C CG . ASN B 1 27 ? -45.800 -1.856 -102.675 1.00 38.08 ? 27 ASN B CG 1 +ATOM 1157 O OD1 . ASN B 1 27 ? -44.628 -2.089 -102.330 1.00 40.00 ? 27 ASN B OD1 1 +ATOM 1158 N ND2 . ASN B 1 27 ? -46.428 -0.714 -102.387 1.00 38.29 ? 27 ASN B ND2 1 +ATOM 1159 N N . GLY B 1 28 ? -46.434 -4.489 -106.773 1.00 32.00 ? 28 GLY B N 1 +ATOM 1160 C CA . GLY B 1 28 ? -46.755 -5.781 -107.354 1.00 31.59 ? 28 GLY B CA 1 +ATOM 1161 C C . GLY B 1 28 ? -48.137 -6.306 -106.981 1.00 30.42 ? 28 GLY B C 1 +ATOM 1162 O O . GLY B 1 28 ? -48.460 -7.460 -107.287 1.00 31.96 ? 28 GLY B O 1 +ATOM 1163 N N . VAL B 1 29 ? -48.942 -5.478 -106.311 1.00 27.29 ? 29 VAL B N 1 +ATOM 1164 C CA . VAL B 1 29 ? -50.300 -5.859 -105.928 1.00 23.81 ? 29 VAL B CA 1 +ATOM 1165 C C . VAL B 1 29 ? -51.297 -5.362 -106.983 1.00 22.69 ? 29 VAL B C 1 +ATOM 1166 O O . VAL B 1 29 ? -51.632 -4.180 -107.018 1.00 23.46 ? 29 VAL B O 1 +ATOM 1167 C CB . VAL B 1 29 ? -50.683 -5.255 -104.571 1.00 21.75 ? 29 VAL B CB 1 +ATOM 1168 C CG1 . VAL B 1 29 ? -52.128 -5.573 -104.243 1.00 19.78 ? 29 VAL B CG1 1 +ATOM 1169 C CG2 . VAL B 1 29 ? -49.778 -5.802 -103.509 1.00 21.77 ? 29 VAL B CG2 1 +ATOM 1170 N N . ALA B 1 30 ? -51.764 -6.262 -107.844 1.00 20.02 ? 30 ALA B N 1 +ATOM 1171 C CA . ALA B 1 30 ? -52.702 -5.889 -108.895 1.00 19.03 ? 30 ALA B CA 1 +ATOM 1172 C C . ALA B 1 30 ? -54.069 -5.545 -108.326 1.00 19.30 ? 30 ALA B C 1 +ATOM 1173 O O . ALA B 1 30 ? -54.563 -6.245 -107.444 1.00 20.10 ? 30 ALA B O 1 +ATOM 1174 C CB . ALA B 1 30 ? -52.838 -7.026 -109.898 1.00 18.29 ? 30 ALA B CB 1 +ATOM 1175 N N . GLU B 1 31 ? -54.677 -4.467 -108.821 1.00 18.67 ? 31 GLU B N 1 +ATOM 1176 C CA . GLU B 1 31 ? -56.011 -4.067 -108.370 1.00 18.05 ? 31 GLU B CA 1 +ATOM 1177 C C . GLU B 1 31 ? -56.942 -3.797 -109.557 1.00 18.97 ? 31 GLU B C 1 +ATOM 1178 O O . GLU B 1 31 ? -56.518 -3.277 -110.591 1.00 19.05 ? 31 GLU B O 1 +ATOM 1179 C CB . GLU B 1 31 ? -55.941 -2.821 -107.484 1.00 16.67 ? 31 GLU B CB 1 +ATOM 1180 C CG . GLU B 1 31 ? -57.293 -2.151 -107.276 1.00 16.09 ? 31 GLU B CG 1 +ATOM 1181 C CD . GLU B 1 31 ? -57.212 -0.878 -106.445 1.00 16.67 ? 31 GLU B CD 1 +ATOM 1182 O OE1 . GLU B 1 31 ? -57.094 -0.983 -105.207 1.00 16.64 ? 31 GLU B OE1 1 +ATOM 1183 O OE2 . GLU B 1 31 ? -57.266 0.232 -107.024 1.00 15.68 ? 31 GLU B OE2 1 +ATOM 1184 N N . TRP B 1 32 ? -58.210 -4.159 -109.390 1.00 18.40 ? 32 TRP B N 1 +ATOM 1185 C CA . TRP B 1 32 ? -59.230 -3.972 -110.413 1.00 17.83 ? 32 TRP B CA 1 +ATOM 1186 C C . TRP B 1 32 ? -60.438 -3.337 -109.726 1.00 18.09 ? 32 TRP B C 1 +ATOM 1187 O O . TRP B 1 32 ? -60.803 -3.744 -108.626 1.00 19.10 ? 32 TRP B O 1 +ATOM 1188 C CB . TRP B 1 32 ? -59.693 -5.320 -110.960 1.00 16.14 ? 32 TRP B CB 1 +ATOM 1189 C CG . TRP B 1 32 ? -58.757 -6.106 -111.838 1.00 15.77 ? 32 TRP B CG 1 +ATOM 1190 C CD1 . TRP B 1 32 ? -58.737 -6.120 -113.203 1.00 14.97 ? 32 TRP B CD1 1 +ATOM 1191 C CD2 . TRP B 1 32 ? -57.814 -7.104 -111.414 1.00 15.58 ? 32 TRP B CD2 1 +ATOM 1192 N NE1 . TRP B 1 32 ? -57.851 -7.070 -113.657 1.00 14.84 ? 32 TRP B NE1 1 +ATOM 1193 C CE2 . TRP B 1 32 ? -57.274 -7.689 -112.581 1.00 14.93 ? 32 TRP B CE2 1 +ATOM 1194 C CE3 . TRP B 1 32 ? -57.381 -7.566 -110.162 1.00 14.81 ? 32 TRP B CE3 1 +ATOM 1195 C CZ2 . TRP B 1 32 ? -56.319 -8.713 -112.533 1.00 15.90 ? 32 TRP B CZ2 1 +ATOM 1196 C CZ3 . TRP B 1 32 ? -56.434 -8.582 -110.113 1.00 14.31 ? 32 TRP B CZ3 1 +ATOM 1197 C CH2 . TRP B 1 32 ? -55.914 -9.147 -111.293 1.00 15.09 ? 32 TRP B CH2 1 +ATOM 1198 N N . ILE B 1 33 ? -61.070 -2.353 -110.353 1.00 17.66 ? 33 ILE B N 1 +ATOM 1199 C CA . ILE B 1 33 ? -62.266 -1.766 -109.751 1.00 18.27 ? 33 ILE B CA 1 +ATOM 1200 C C . ILE B 1 33 ? -63.324 -1.521 -110.807 1.00 18.71 ? 33 ILE B C 1 +ATOM 1201 O O . ILE B 1 33 ? -63.011 -1.354 -111.988 1.00 18.64 ? 33 ILE B O 1 +ATOM 1202 C CB . ILE B 1 33 ? -62.023 -0.407 -109.073 1.00 18.70 ? 33 ILE B CB 1 +ATOM 1203 C CG1 . ILE B 1 33 ? -61.438 0.568 -110.084 1.00 20.72 ? 33 ILE B CG1 1 +ATOM 1204 C CG2 . ILE B 1 33 ? -61.155 -0.566 -107.855 1.00 18.91 ? 33 ILE B CG2 1 +ATOM 1205 C CD1 . ILE B 1 33 ? -61.711 2.010 -109.723 1.00 24.61 ? 33 ILE B CD1 1 +ATOM 1206 N N . SER B 1 34 ? -64.579 -1.499 -110.375 1.00 18.63 ? 34 SER B N 1 +ATOM 1207 C CA . SER B 1 34 ? -65.670 -1.242 -111.294 1.00 18.77 ? 34 SER B CA 1 +ATOM 1208 C C . SER B 1 34 ? -65.751 0.264 -111.439 1.00 19.26 ? 34 SER B C 1 +ATOM 1209 O O . SER B 1 34 ? -65.086 1.002 -110.716 1.00 18.33 ? 34 SER B O 1 +ATOM 1210 C CB . SER B 1 34 ? -66.980 -1.789 -110.741 1.00 19.64 ? 34 SER B CB 1 +ATOM 1211 O OG . SER B 1 34 ? -67.295 -1.191 -109.502 1.00 22.19 ? 34 SER B OG 1 +ATOM 1212 N N . SER B 1 35 ? -66.568 0.716 -112.379 1.00 21.21 ? 35 SER B N 1 +ATOM 1213 C CA . SER B 1 35 ? -66.731 2.134 -112.648 1.00 21.36 ? 35 SER B CA 1 +ATOM 1214 C C . SER B 1 35 ? -67.726 2.768 -111.681 1.00 21.65 ? 35 SER B C 1 +ATOM 1215 O O . SER B 1 35 ? -68.833 3.151 -112.061 1.00 22.38 ? 35 SER B O 1 +ATOM 1216 C CB . SER B 1 35 ? -67.199 2.308 -114.083 1.00 20.67 ? 35 SER B CB 1 +ATOM 1217 O OG . SER B 1 35 ? -67.227 3.678 -114.415 1.00 27.58 ? 35 SER B OG 1 +ATOM 1218 N N . ASN B 1 36 ? -67.313 2.876 -110.425 1.00 22.15 ? 36 ASN B N 1 +ATOM 1219 C CA . ASN B 1 36 ? -68.144 3.446 -109.367 1.00 21.52 ? 36 ASN B CA 1 +ATOM 1220 C C . ASN B 1 36 ? -67.274 4.290 -108.460 1.00 21.19 ? 36 ASN B C 1 +ATOM 1221 O O . ASN B 1 36 ? -66.052 4.350 -108.636 1.00 22.70 ? 36 ASN B O 1 +ATOM 1222 C CB . ASN B 1 36 ? -68.735 2.329 -108.506 1.00 21.68 ? 36 ASN B CB 1 +ATOM 1223 C CG . ASN B 1 36 ? -69.792 1.541 -109.216 1.00 22.30 ? 36 ASN B CG 1 +ATOM 1224 O OD1 . ASN B 1 36 ? -70.941 1.967 -109.299 1.00 24.07 ? 36 ASN B OD1 1 +ATOM 1225 N ND2 . ASN B 1 36 ? -69.413 0.382 -109.741 1.00 22.54 ? 36 ASN B ND2 1 +ATOM 1226 N N . SER B 1 37 ? -67.908 4.935 -107.483 1.00 19.75 ? 37 SER B N 1 +ATOM 1227 C CA . SER B 1 37 ? -67.171 5.705 -106.494 1.00 19.67 ? 37 SER B CA 1 +ATOM 1228 C C . SER B 1 37 ? -66.439 4.584 -105.759 1.00 20.04 ? 37 SER B C 1 +ATOM 1229 O O . SER B 1 37 ? -66.863 3.428 -105.827 1.00 19.95 ? 37 SER B O 1 +ATOM 1230 C CB . SER B 1 37 ? -68.128 6.414 -105.547 1.00 18.25 ? 37 SER B CB 1 +ATOM 1231 O OG . SER B 1 37 ? -68.962 5.474 -104.899 1.00 19.90 ? 37 SER B OG 1 +ATOM 1232 N N . ARG B 1 38 ? -65.355 4.887 -105.057 1.00 19.02 ? 38 ARG B N 1 +ATOM 1233 C CA . ARG B 1 38 ? -64.659 3.803 -104.388 1.00 18.86 ? 38 ARG B CA 1 +ATOM 1234 C C . ARG B 1 38 ? -65.408 3.212 -103.205 1.00 18.86 ? 38 ARG B C 1 +ATOM 1235 O O . ARG B 1 38 ? -65.071 2.119 -102.737 1.00 19.53 ? 38 ARG B O 1 +ATOM 1236 C CB . ARG B 1 38 ? -63.252 4.241 -103.990 1.00 17.86 ? 38 ARG B CB 1 +ATOM 1237 C CG . ARG B 1 38 ? -62.389 4.448 -105.213 1.00 19.02 ? 38 ARG B CG 1 +ATOM 1238 C CD . ARG B 1 38 ? -60.927 4.327 -104.917 1.00 18.21 ? 38 ARG B CD 1 +ATOM 1239 N NE . ARG B 1 38 ? -60.450 2.951 -104.848 1.00 18.45 ? 38 ARG B NE 1 +ATOM 1240 C CZ . ARG B 1 38 ? -59.610 2.417 -105.729 1.00 19.04 ? 38 ARG B CZ 1 +ATOM 1241 N NH1 . ARG B 1 38 ? -59.175 3.138 -106.750 1.00 19.35 ? 38 ARG B NH1 1 +ATOM 1242 N NH2 . ARG B 1 38 ? -59.159 1.181 -105.567 1.00 19.09 ? 38 ARG B NH2 1 +ATOM 1243 N N . SER B 1 39 ? -66.434 3.919 -102.737 1.00 17.61 ? 39 SER B N 1 +ATOM 1244 C CA . SER B 1 39 ? -67.218 3.447 -101.611 1.00 17.46 ? 39 SER B CA 1 +ATOM 1245 C C . SER B 1 39 ? -68.307 2.493 -102.078 1.00 18.41 ? 39 SER B C 1 +ATOM 1246 O O . SER B 1 39 ? -68.907 1.791 -101.264 1.00 20.28 ? 39 SER B O 1 +ATOM 1247 C CB . SER B 1 39 ? -67.859 4.623 -100.885 1.00 17.41 ? 39 SER B CB 1 +ATOM 1248 O OG . SER B 1 39 ? -68.792 5.285 -101.720 1.00 17.31 ? 39 SER B OG 1 +ATOM 1249 N N . GLN B 1 40 ? -68.568 2.457 -103.385 1.00 17.23 ? 40 GLN B N 1 +ATOM 1250 C CA . GLN B 1 40 ? -69.604 1.572 -103.919 1.00 16.75 ? 40 GLN B CA 1 +ATOM 1251 C C . GLN B 1 40 ? -69.079 0.639 -105.009 1.00 17.41 ? 40 GLN B C 1 +ATOM 1252 O O . GLN B 1 40 ? -69.855 -0.065 -105.645 1.00 18.69 ? 40 GLN B O 1 +ATOM 1253 C CB . GLN B 1 40 ? -70.754 2.391 -104.519 1.00 16.21 ? 40 GLN B CB 1 +ATOM 1254 C CG . GLN B 1 40 ? -71.364 3.430 -103.600 1.00 17.48 ? 40 GLN B CG 1 +ATOM 1255 C CD . GLN B 1 40 ? -72.630 4.053 -104.179 1.00 18.30 ? 40 GLN B CD 1 +ATOM 1256 O OE1 . GLN B 1 40 ? -72.636 4.559 -105.302 1.00 17.57 ? 40 GLN B OE1 1 +ATOM 1257 N NE2 . GLN B 1 40 ? -73.713 4.016 -103.406 1.00 18.12 ? 40 GLN B NE2 1 +ATOM 1258 N N . ALA B 1 41 ? -67.771 0.632 -105.226 1.00 17.44 ? 41 ALA B N 1 +ATOM 1259 C CA . ALA B 1 41 ? -67.193 -0.182 -106.289 1.00 16.55 ? 41 ALA B CA 1 +ATOM 1260 C C . ALA B 1 41 ? -66.975 -1.641 -105.948 1.00 16.64 ? 41 ALA B C 1 +ATOM 1261 O O . ALA B 1 41 ? -66.999 -2.026 -104.782 1.00 17.02 ? 41 ALA B O 1 +ATOM 1262 C CB . ALA B 1 41 ? -65.877 0.427 -106.731 1.00 14.71 ? 41 ALA B CB 1 +ATOM 1263 N N . TYR B 1 42 ? -66.805 -2.453 -106.986 1.00 17.29 ? 42 TYR B N 1 +ATOM 1264 C CA . TYR B 1 42 ? -66.492 -3.866 -106.813 1.00 16.81 ? 42 TYR B CA 1 +ATOM 1265 C C . TYR B 1 42 ? -64.987 -3.779 -106.908 1.00 17.60 ? 42 TYR B C 1 +ATOM 1266 O O . TYR B 1 42 ? -64.465 -3.165 -107.848 1.00 18.07 ? 42 TYR B O 1 +ATOM 1267 C CB . TYR B 1 42 ? -66.976 -4.719 -107.981 1.00 16.30 ? 42 TYR B CB 1 +ATOM 1268 C CG . TYR B 1 42 ? -68.440 -5.048 -107.968 1.00 16.63 ? 42 TYR B CG 1 +ATOM 1269 C CD1 . TYR B 1 42 ? -69.384 -4.131 -108.417 1.00 15.73 ? 42 TYR B CD1 1 +ATOM 1270 C CD2 . TYR B 1 42 ? -68.885 -6.298 -107.523 1.00 16.05 ? 42 TYR B CD2 1 +ATOM 1271 C CE1 . TYR B 1 42 ? -70.736 -4.451 -108.432 1.00 16.78 ? 42 TYR B CE1 1 +ATOM 1272 C CE2 . TYR B 1 42 ? -70.236 -6.626 -107.530 1.00 15.78 ? 42 TYR B CE2 1 +ATOM 1273 C CZ . TYR B 1 42 ? -71.153 -5.701 -107.989 1.00 16.57 ? 42 TYR B CZ 1 +ATOM 1274 O OH . TYR B 1 42 ? -72.487 -6.033 -108.039 1.00 18.15 ? 42 TYR B OH 1 +ATOM 1275 N N . LYS B 1 43 ? -64.280 -4.377 -105.962 1.00 16.76 ? 43 LYS B N 1 +ATOM 1276 C CA . LYS B 1 43 ? -62.834 -4.297 -105.993 1.00 16.60 ? 43 LYS B CA 1 +ATOM 1277 C C . LYS B 1 43 ? -62.189 -5.667 -105.878 1.00 16.43 ? 43 LYS B C 1 +ATOM 1278 O O . LYS B 1 43 ? -62.683 -6.559 -105.168 1.00 16.47 ? 43 LYS B O 1 +ATOM 1279 C CB . LYS B 1 43 ? -62.374 -3.375 -104.867 1.00 17.66 ? 43 LYS B CB 1 +ATOM 1280 C CG . LYS B 1 43 ? -60.886 -3.155 -104.731 1.00 20.17 ? 43 LYS B CG 1 +ATOM 1281 C CD . LYS B 1 43 ? -60.656 -2.188 -103.575 1.00 23.94 ? 43 LYS B CD 1 +ATOM 1282 C CE . LYS B 1 43 ? -59.353 -2.454 -102.845 1.00 26.01 ? 43 LYS B CE 1 +ATOM 1283 N NZ . LYS B 1 43 ? -59.217 -1.586 -101.638 1.00 27.90 ? 43 LYS B NZ 1 +ATOM 1284 N N . VAL B 1 44 ? -61.085 -5.833 -106.596 1.00 15.98 ? 44 VAL B N 1 +ATOM 1285 C CA . VAL B 1 44 ? -60.356 -7.087 -106.598 1.00 15.35 ? 44 VAL B CA 1 +ATOM 1286 C C . VAL B 1 44 ? -58.868 -6.804 -106.606 1.00 15.64 ? 44 VAL B C 1 +ATOM 1287 O O . VAL B 1 44 ? -58.397 -6.001 -107.412 1.00 16.35 ? 44 VAL B O 1 +ATOM 1288 C CB . VAL B 1 44 ? -60.673 -7.914 -107.855 1.00 15.20 ? 44 VAL B CB 1 +ATOM 1289 C CG1 . VAL B 1 44 ? -59.927 -9.240 -107.799 1.00 13.03 ? 44 VAL B CG1 1 +ATOM 1290 C CG2 . VAL B 1 44 ? -62.176 -8.135 -107.982 1.00 14.71 ? 44 VAL B CG2 1 +ATOM 1291 N N . THR B 1 45 ? -58.135 -7.449 -105.704 1.00 15.49 ? 45 THR B N 1 +ATOM 1292 C CA . THR B 1 45 ? -56.680 -7.300 -105.649 1.00 17.15 ? 45 THR B CA 1 +ATOM 1293 C C . THR B 1 45 ? -56.083 -8.702 -105.556 1.00 18.48 ? 45 THR B C 1 +ATOM 1294 O O . THR B 1 45 ? -56.710 -9.620 -105.028 1.00 19.42 ? 45 THR B O 1 +ATOM 1295 C CB . THR B 1 45 ? -56.207 -6.486 -104.426 1.00 16.07 ? 45 THR B CB 1 +ATOM 1296 O OG1 . THR B 1 45 ? -56.536 -7.192 -103.225 1.00 18.66 ? 45 THR B OG1 1 +ATOM 1297 C CG2 . THR B 1 45 ? -56.857 -5.126 -104.409 1.00 15.92 ? 45 THR B CG2 1 +ATOM 1298 N N . CYS B 1 46 ? -54.873 -8.867 -106.074 1.00 19.54 ? 46 CYS B N 1 +ATOM 1299 C CA . CYS B 1 46 ? -54.216 -10.158 -106.046 1.00 20.37 ? 46 CYS B CA 1 +ATOM 1300 C C . CYS B 1 46 ? -52.711 -9.962 -105.972 1.00 21.51 ? 46 CYS B C 1 +ATOM 1301 O O . CYS B 1 46 ? -52.173 -9.024 -106.562 1.00 21.16 ? 46 CYS B O 1 +ATOM 1302 C CB . CYS B 1 46 ? -54.575 -10.939 -107.312 1.00 21.47 ? 46 CYS B CB 1 +ATOM 1303 S SG . CYS B 1 46 ? -53.715 -12.526 -107.536 1.00 23.19 ? 46 CYS B SG 1 +ATOM 1304 N N . SER B 1 47 ? -52.039 -10.840 -105.233 1.00 22.17 ? 47 SER B N 1 +ATOM 1305 C CA . SER B 1 47 ? -50.584 -10.792 -105.117 1.00 21.85 ? 47 SER B CA 1 +ATOM 1306 C C . SER B 1 47 ? -50.085 -12.184 -104.747 1.00 21.67 ? 47 SER B C 1 +ATOM 1307 O O . SER B 1 47 ? -50.830 -12.971 -104.157 1.00 20.87 ? 47 SER B O 1 +ATOM 1308 C CB . SER B 1 47 ? -50.141 -9.763 -104.070 1.00 20.59 ? 47 SER B CB 1 +ATOM 1309 O OG . SER B 1 47 ? -50.473 -10.173 -102.762 1.00 21.85 ? 47 SER B OG 1 +ATOM 1310 N N . VAL B 1 48 ? -48.843 -12.486 -105.123 1.00 22.95 ? 48 VAL B N 1 +ATOM 1311 C CA . VAL B 1 48 ? -48.230 -13.785 -104.841 1.00 23.69 ? 48 VAL B CA 1 +ATOM 1312 C C . VAL B 1 48 ? -46.916 -13.542 -104.146 1.00 24.81 ? 48 VAL B C 1 +ATOM 1313 O O . VAL B 1 48 ? -46.279 -12.514 -104.364 1.00 25.66 ? 48 VAL B O 1 +ATOM 1314 C CB . VAL B 1 48 ? -47.854 -14.571 -106.115 1.00 23.58 ? 48 VAL B CB 1 +ATOM 1315 C CG1 . VAL B 1 48 ? -48.069 -16.059 -105.881 1.00 22.24 ? 48 VAL B CG1 1 +ATOM 1316 C CG2 . VAL B 1 48 ? -48.626 -14.060 -107.312 1.00 25.65 ? 48 VAL B CG2 1 +ATOM 1317 N N . ARG B 1 49 ? -46.498 -14.498 -103.327 1.00 25.63 ? 49 ARG B N 1 +ATOM 1318 C CA . ARG B 1 49 ? -45.226 -14.385 -102.632 1.00 26.53 ? 49 ARG B CA 1 +ATOM 1319 C C . ARG B 1 49 ? -44.834 -15.736 -102.071 1.00 26.74 ? 49 ARG B C 1 +ATOM 1320 O O . ARG B 1 49 ? -45.669 -16.631 -101.944 1.00 26.60 ? 49 ARG B O 1 +ATOM 1321 C CB . ARG B 1 49 ? -45.320 -13.388 -101.483 1.00 27.69 ? 49 ARG B CB 1 +ATOM 1322 C CG . ARG B 1 49 ? -46.088 -13.922 -100.302 1.00 31.35 ? 49 ARG B CG 1 +ATOM 1323 C CD . ARG B 1 49 ? -45.959 -13.023 -99.095 1.00 35.98 ? 49 ARG B CD 1 +ATOM 1324 N NE . ARG B 1 49 ? -46.748 -13.521 -97.968 1.00 41.52 ? 49 ARG B NE 1 +ATOM 1325 C CZ . ARG B 1 49 ? -48.081 -13.611 -97.951 1.00 44.45 ? 49 ARG B CZ 1 +ATOM 1326 N NH1 . ARG B 1 49 ? -48.808 -13.234 -99.005 1.00 44.81 ? 49 ARG B NH1 1 +ATOM 1327 N NH2 . ARG B 1 49 ? -48.692 -14.073 -96.865 1.00 45.90 ? 49 ARG B NH2 1 +ATOM 1328 N N . GLN B 1 50 ? -43.558 -15.881 -101.739 1.00 27.52 ? 50 GLN B N 1 +ATOM 1329 C CA . GLN B 1 50 ? -43.065 -17.118 -101.160 1.00 28.22 ? 50 GLN B CA 1 +ATOM 1330 C C . GLN B 1 50 ? -43.298 -17.001 -99.657 1.00 28.46 ? 50 GLN B C 1 +ATOM 1331 O O . GLN B 1 50 ? -42.532 -16.346 -98.960 1.00 28.84 ? 50 GLN B O 1 +ATOM 1332 C CB . GLN B 1 50 ? -41.582 -17.267 -101.461 1.00 28.54 ? 50 GLN B CB 1 +ATOM 1333 C CG . GLN B 1 50 ? -40.946 -18.496 -100.876 1.00 31.19 ? 50 GLN B CG 1 +ATOM 1334 C CD . GLN B 1 50 ? -40.254 -19.328 -101.927 1.00 34.02 ? 50 GLN B CD 1 +ATOM 1335 O OE1 . GLN B 1 50 ? -39.605 -18.792 -102.829 1.00 34.91 ? 50 GLN B OE1 1 +ATOM 1336 N NE2 . GLN B 1 50 ? -40.376 -20.647 -101.814 1.00 35.71 ? 50 GLN B NE2 1 +ATOM 1337 N N . SER B 1 51 ? -44.371 -17.614 -99.165 1.00 28.71 ? 51 SER B N 1 +ATOM 1338 C CA . SER B 1 51 ? -44.695 -17.541 -97.748 1.00 30.52 ? 51 SER B CA 1 +ATOM 1339 C C . SER B 1 51 ? -43.576 -18.123 -96.891 1.00 31.61 ? 51 SER B C 1 +ATOM 1340 O O . SER B 1 51 ? -43.222 -17.563 -95.852 1.00 33.78 ? 51 SER B O 1 +ATOM 1341 C CB . SER B 1 51 ? -46.012 -18.269 -97.462 1.00 31.28 ? 51 SER B CB 1 +ATOM 1342 O OG . SER B 1 51 ? -45.945 -19.629 -97.855 1.00 34.86 ? 51 SER B OG 1 +ATOM 1343 N N . SER B 1 52 ? -43.018 -19.246 -97.333 1.00 31.51 ? 52 SER B N 1 +ATOM 1344 C CA . SER B 1 52 ? -41.933 -19.898 -96.612 1.00 30.72 ? 52 SER B CA 1 +ATOM 1345 C C . SER B 1 52 ? -41.073 -20.660 -97.602 1.00 32.45 ? 52 SER B C 1 +ATOM 1346 O O . SER B 1 52 ? -41.287 -20.586 -98.811 1.00 32.83 ? 52 SER B O 1 +ATOM 1347 C CB . SER B 1 52 ? -42.485 -20.866 -95.572 1.00 29.77 ? 52 SER B CB 1 +ATOM 1348 O OG . SER B 1 52 ? -43.039 -22.009 -96.192 1.00 27.94 ? 52 SER B OG 1 +ATOM 1349 N N . ALA B 1 53 ? -40.105 -21.406 -97.086 1.00 34.31 ? 53 ALA B N 1 +ATOM 1350 C CA . ALA B 1 53 ? -39.193 -22.165 -97.932 1.00 34.71 ? 53 ALA B CA 1 +ATOM 1351 C C . ALA B 1 53 ? -39.864 -23.248 -98.758 1.00 35.31 ? 53 ALA B C 1 +ATOM 1352 O O . ALA B 1 53 ? -39.402 -23.576 -99.848 1.00 36.38 ? 53 ALA B O 1 +ATOM 1353 C CB . ALA B 1 53 ? -38.115 -22.785 -97.073 1.00 34.89 ? 53 ALA B CB 1 +ATOM 1354 N N . GLN B 1 54 ? -40.954 -23.797 -98.240 1.00 35.57 ? 54 GLN B N 1 +ATOM 1355 C CA . GLN B 1 54 ? -41.667 -24.873 -98.913 1.00 35.70 ? 54 GLN B CA 1 +ATOM 1356 C C . GLN B 1 54 ? -42.958 -24.430 -99.614 1.00 33.91 ? 54 GLN B C 1 +ATOM 1357 O O . GLN B 1 54 ? -43.504 -25.175 -100.425 1.00 32.94 ? 54 GLN B O 1 +ATOM 1358 C CB . GLN B 1 54 ? -41.991 -25.953 -97.877 1.00 40.63 ? 54 GLN B CB 1 +ATOM 1359 C CG . GLN B 1 54 ? -41.776 -27.406 -98.322 1.00 47.68 ? 54 GLN B CG 1 +ATOM 1360 C CD . GLN B 1 54 ? -40.303 -27.839 -98.328 1.00 51.03 ? 54 GLN B CD 1 +ATOM 1361 O OE1 . GLN B 1 54 ? -40.002 -29.032 -98.220 1.00 52.60 ? 54 GLN B OE1 1 +ATOM 1362 N NE2 . GLN B 1 54 ? -39.386 -26.876 -98.468 1.00 52.20 ? 54 GLN B NE2 1 +ATOM 1363 N N . ASN B 1 55 ? -43.440 -23.223 -99.321 1.00 32.15 ? 55 ASN B N 1 +ATOM 1364 C CA . ASN B 1 55 ? -44.690 -22.746 -99.912 1.00 29.89 ? 55 ASN B CA 1 +ATOM 1365 C C . ASN B 1 55 ? -44.715 -21.382 -100.576 1.00 28.41 ? 55 ASN B C 1 +ATOM 1366 O O . ASN B 1 55 ? -43.919 -20.501 -100.268 1.00 27.67 ? 55 ASN B O 1 +ATOM 1367 C CB . ASN B 1 55 ? -45.796 -22.730 -98.858 1.00 29.76 ? 55 ASN B CB 1 +ATOM 1368 C CG . ASN B 1 55 ? -46.145 -24.106 -98.358 1.00 29.79 ? 55 ASN B CG 1 +ATOM 1369 O OD1 . ASN B 1 55 ? -46.524 -24.984 -99.130 1.00 32.22 ? 55 ASN B OD1 1 +ATOM 1370 N ND2 . ASN B 1 55 ? -46.026 -24.302 -97.059 1.00 30.37 ? 55 ASN B ND2 1 +ATOM 1371 N N . ARG B 1 56 ? -45.672 -21.233 -101.488 1.00 27.49 ? 56 ARG B N 1 +ATOM 1372 C CA . ARG B 1 56 ? -45.931 -19.987 -102.197 1.00 26.46 ? 56 ARG B CA 1 +ATOM 1373 C C . ARG B 1 56 ? -47.375 -19.696 -101.814 1.00 26.17 ? 56 ARG B C 1 +ATOM 1374 O O . ARG B 1 56 ? -48.167 -20.623 -101.644 1.00 25.99 ? 56 ARG B O 1 +ATOM 1375 C CB . ARG B 1 56 ? -45.846 -20.164 -103.709 1.00 25.11 ? 56 ARG B CB 1 +ATOM 1376 C CG . ARG B 1 56 ? -44.483 -19.907 -104.317 1.00 26.12 ? 56 ARG B CG 1 +ATOM 1377 C CD . ARG B 1 56 ? -44.652 -19.394 -105.745 1.00 24.93 ? 56 ARG B CD 1 +ATOM 1378 N NE . ARG B 1 56 ? -45.579 -20.237 -106.492 1.00 26.50 ? 56 ARG B NE 1 +ATOM 1379 C CZ . ARG B 1 56 ? -46.492 -19.785 -107.348 1.00 26.51 ? 56 ARG B CZ 1 +ATOM 1380 N NH1 . ARG B 1 56 ? -46.612 -18.483 -107.576 1.00 25.54 ? 56 ARG B NH1 1 +ATOM 1381 N NH2 . ARG B 1 56 ? -47.295 -20.637 -107.965 1.00 25.58 ? 56 ARG B NH2 1 +ATOM 1382 N N . LYS B 1 57 ? -47.731 -18.426 -101.684 1.00 25.06 ? 57 LYS B N 1 +ATOM 1383 C CA . LYS B 1 57 ? -49.088 -18.099 -101.293 1.00 24.24 ? 57 LYS B CA 1 +ATOM 1384 C C . LYS B 1 57 ? -49.702 -16.937 -102.067 1.00 23.30 ? 57 LYS B C 1 +ATOM 1385 O O . LYS B 1 57 ? -49.104 -15.863 -102.178 1.00 23.84 ? 57 LYS B O 1 +ATOM 1386 C CB . LYS B 1 57 ? -49.114 -17.800 -99.794 1.00 26.63 ? 57 LYS B CB 1 +ATOM 1387 C CG . LYS B 1 57 ? -50.459 -17.325 -99.280 1.00 32.29 ? 57 LYS B CG 1 +ATOM 1388 C CD . LYS B 1 57 ? -50.412 -16.891 -97.816 1.00 34.96 ? 57 LYS B CD 1 +ATOM 1389 C CE . LYS B 1 57 ? -50.101 -18.062 -96.899 1.00 38.41 ? 57 LYS B CE 1 +ATOM 1390 N NZ . LYS B 1 57 ? -50.262 -17.690 -95.457 1.00 41.83 ? 57 LYS B NZ 1 +ATOM 1391 N N . TYR B 1 58 ? -50.893 -17.168 -102.617 1.00 21.29 ? 58 TYR B N 1 +ATOM 1392 C CA . TYR B 1 58 ? -51.624 -16.141 -103.355 1.00 19.36 ? 58 TYR B CA 1 +ATOM 1393 C C . TYR B 1 58 ? -52.602 -15.514 -102.384 1.00 18.94 ? 58 TYR B C 1 +ATOM 1394 O O . TYR B 1 58 ? -53.252 -16.224 -101.619 1.00 17.45 ? 58 TYR B O 1 +ATOM 1395 C CB . TYR B 1 58 ? -52.434 -16.735 -104.506 1.00 18.89 ? 58 TYR B CB 1 +ATOM 1396 C CG . TYR B 1 58 ? -51.639 -17.124 -105.728 1.00 20.47 ? 58 TYR B CG 1 +ATOM 1397 C CD1 . TYR B 1 58 ? -51.006 -18.365 -105.813 1.00 20.63 ? 58 TYR B CD1 1 +ATOM 1398 C CD2 . TYR B 1 58 ? -51.519 -16.248 -106.809 1.00 20.31 ? 58 TYR B CD2 1 +ATOM 1399 C CE1 . TYR B 1 58 ? -50.275 -18.726 -106.946 1.00 21.10 ? 58 TYR B CE1 1 +ATOM 1400 C CE2 . TYR B 1 58 ? -50.792 -16.596 -107.943 1.00 21.04 ? 58 TYR B CE2 1 +ATOM 1401 C CZ . TYR B 1 58 ? -50.172 -17.835 -108.007 1.00 21.73 ? 58 TYR B CZ 1 +ATOM 1402 O OH . TYR B 1 58 ? -49.453 -18.178 -109.131 1.00 21.23 ? 58 TYR B OH 1 +ATOM 1403 N N . THR B 1 59 ? -52.707 -14.192 -102.391 1.00 19.36 ? 59 THR B N 1 +ATOM 1404 C CA . THR B 1 59 ? -53.655 -13.536 -101.505 1.00 19.90 ? 59 THR B CA 1 +ATOM 1405 C C . THR B 1 59 ? -54.615 -12.757 -102.383 1.00 20.48 ? 59 THR B C 1 +ATOM 1406 O O . THR B 1 59 ? -54.227 -11.809 -103.068 1.00 22.33 ? 59 THR B O 1 +ATOM 1407 C CB . THR B 1 59 ? -52.963 -12.602 -100.520 1.00 18.85 ? 59 THR B CB 1 +ATOM 1408 O OG1 . THR B 1 59 ? -52.061 -13.361 -99.706 1.00 22.98 ? 59 THR B OG1 1 +ATOM 1409 C CG2 . THR B 1 59 ? -53.973 -11.940 -99.627 1.00 17.88 ? 59 THR B CG2 1 +ATOM 1410 N N . ILE B 1 60 ? -55.871 -13.183 -102.376 1.00 18.79 ? 60 ILE B N 1 +ATOM 1411 C CA . ILE B 1 60 ? -56.894 -12.556 -103.185 1.00 17.99 ? 60 ILE B CA 1 +ATOM 1412 C C . ILE B 1 60 ? -57.967 -11.947 -102.307 1.00 17.57 ? 60 ILE B C 1 +ATOM 1413 O O . ILE B 1 60 ? -58.496 -12.598 -101.420 1.00 17.38 ? 60 ILE B O 1 +ATOM 1414 C CB . ILE B 1 60 ? -57.522 -13.583 -104.107 1.00 18.58 ? 60 ILE B CB 1 +ATOM 1415 C CG1 . ILE B 1 60 ? -56.413 -14.264 -104.915 1.00 19.75 ? 60 ILE B CG1 1 +ATOM 1416 C CG2 . ILE B 1 60 ? -58.548 -12.916 -105.002 1.00 17.10 ? 60 ILE B CG2 1 +ATOM 1417 C CD1 . ILE B 1 60 ? -56.840 -15.551 -105.602 1.00 20.69 ? 60 ILE B CD1 1 +ATOM 1418 N N . LYS B 1 61 ? -58.273 -10.683 -102.556 1.00 17.66 ? 61 LYS B N 1 +ATOM 1419 C CA . LYS B 1 61 ? -59.287 -9.985 -101.789 1.00 17.81 ? 61 LYS B CA 1 +ATOM 1420 C C . LYS B 1 61 ? -60.328 -9.396 -102.723 1.00 17.40 ? 61 LYS B C 1 +ATOM 1421 O O . LYS B 1 61 ? -59.994 -8.834 -103.767 1.00 17.84 ? 61 LYS B O 1 +ATOM 1422 C CB . LYS B 1 61 ? -58.651 -8.878 -100.957 1.00 17.91 ? 61 LYS B CB 1 +ATOM 1423 C CG . LYS B 1 61 ? -57.622 -9.389 -99.974 1.00 19.93 ? 61 LYS B CG 1 +ATOM 1424 C CD . LYS B 1 61 ? -57.202 -8.294 -99.032 1.00 21.25 ? 61 LYS B CD 1 +ATOM 1425 C CE . LYS B 1 61 ? -56.289 -8.811 -97.957 1.00 22.62 ? 61 LYS B CE 1 +ATOM 1426 N NZ . LYS B 1 61 ? -56.289 -7.824 -96.840 1.00 29.03 ? 61 LYS B NZ 1 +ATOM 1427 N N . VAL B 1 62 ? -61.593 -9.535 -102.344 1.00 16.01 ? 62 VAL B N 1 +ATOM 1428 C CA . VAL B 1 62 ? -62.681 -9.017 -103.144 1.00 15.61 ? 62 VAL B CA 1 +ATOM 1429 C C . VAL B 1 62 ? -63.630 -8.243 -102.237 1.00 15.84 ? 62 VAL B C 1 +ATOM 1430 O O . VAL B 1 62 ? -63.852 -8.632 -101.086 1.00 16.34 ? 62 VAL B O 1 +ATOM 1431 C CB . VAL B 1 62 ? -63.472 -10.168 -103.818 1.00 14.57 ? 62 VAL B CB 1 +ATOM 1432 C CG1 . VAL B 1 62 ? -64.545 -9.605 -104.726 1.00 14.86 ? 62 VAL B CG1 1 +ATOM 1433 C CG2 . VAL B 1 62 ? -62.540 -11.047 -104.604 1.00 13.64 ? 62 VAL B CG2 1 +ATOM 1434 N N . GLU B 1 63 ? -64.172 -7.144 -102.754 1.00 15.41 ? 63 GLU B N 1 +ATOM 1435 C CA . GLU B 1 63 ? -65.134 -6.337 -102.015 1.00 16.07 ? 63 GLU B CA 1 +ATOM 1436 C C . GLU B 1 63 ? -66.378 -6.224 -102.879 1.00 15.94 ? 63 GLU B C 1 +ATOM 1437 O O . GLU B 1 63 ? -66.280 -5.927 -104.067 1.00 16.49 ? 63 GLU B O 1 +ATOM 1438 C CB . GLU B 1 63 ? -64.578 -4.950 -101.737 1.00 17.46 ? 63 GLU B CB 1 +ATOM 1439 C CG . GLU B 1 63 ? -63.599 -4.909 -100.593 1.00 19.77 ? 63 GLU B CG 1 +ATOM 1440 C CD . GLU B 1 63 ? -63.150 -3.502 -100.296 1.00 21.80 ? 63 GLU B CD 1 +ATOM 1441 O OE1 . GLU B 1 63 ? -63.994 -2.588 -100.399 1.00 24.49 ? 63 GLU B OE1 1 +ATOM 1442 O OE2 . GLU B 1 63 ? -61.965 -3.307 -99.955 1.00 21.80 ? 63 GLU B OE2 1 +ATOM 1443 N N . VAL B 1 64 ? -67.542 -6.473 -102.290 1.00 15.04 ? 64 VAL B N 1 +ATOM 1444 C CA . VAL B 1 64 ? -68.797 -6.405 -103.031 1.00 15.23 ? 64 VAL B CA 1 +ATOM 1445 C C . VAL B 1 64 ? -69.770 -5.476 -102.321 1.00 15.66 ? 64 VAL B C 1 +ATOM 1446 O O . VAL B 1 64 ? -70.008 -5.613 -101.120 1.00 17.35 ? 64 VAL B O 1 +ATOM 1447 C CB . VAL B 1 64 ? -69.449 -7.789 -103.143 1.00 15.00 ? 64 VAL B CB 1 +ATOM 1448 C CG1 . VAL B 1 64 ? -70.710 -7.689 -103.958 1.00 16.76 ? 64 VAL B CG1 1 +ATOM 1449 C CG2 . VAL B 1 64 ? -68.491 -8.774 -103.771 1.00 14.04 ? 64 VAL B CG2 1 +ATOM 1450 N N . PRO B 1 65 ? -70.355 -4.516 -103.053 1.00 15.65 ? 65 PRO B N 1 +ATOM 1451 C CA . PRO B 1 65 ? -71.300 -3.582 -102.432 1.00 15.01 ? 65 PRO B CA 1 +ATOM 1452 C C . PRO B 1 65 ? -72.702 -4.138 -102.226 1.00 14.85 ? 65 PRO B C 1 +ATOM 1453 O O . PRO B 1 65 ? -73.165 -4.980 -103.003 1.00 15.43 ? 65 PRO B O 1 +ATOM 1454 C CB . PRO B 1 65 ? -71.313 -2.418 -103.415 1.00 14.72 ? 65 PRO B CB 1 +ATOM 1455 C CG . PRO B 1 65 ? -71.217 -3.127 -104.733 1.00 14.39 ? 65 PRO B CG 1 +ATOM 1456 C CD . PRO B 1 65 ? -70.105 -4.141 -104.458 1.00 15.22 ? 65 PRO B CD 1 +ATOM 1457 N N . LYS B 1 66 ? -73.367 -3.685 -101.165 1.00 15.07 ? 66 LYS B N 1 +ATOM 1458 C CA . LYS B 1 66 ? -74.748 -4.088 -100.929 1.00 14.65 ? 66 LYS B CA 1 +ATOM 1459 C C . LYS B 1 66 ? -75.488 -3.184 -101.926 1.00 14.56 ? 66 LYS B C 1 +ATOM 1460 O O . LYS B 1 66 ? -75.321 -1.960 -101.909 1.00 14.91 ? 66 LYS B O 1 +ATOM 1461 C CB . LYS B 1 66 ? -75.183 -3.761 -99.498 1.00 14.20 ? 66 LYS B CB 1 +ATOM 1462 C CG . LYS B 1 66 ? -76.695 -3.780 -99.324 1.00 15.14 ? 66 LYS B CG 1 +ATOM 1463 C CD . LYS B 1 66 ? -77.130 -3.275 -97.961 1.00 15.17 ? 66 LYS B CD 1 +ATOM 1464 C CE . LYS B 1 66 ? -78.637 -3.056 -97.924 1.00 15.26 ? 66 LYS B CE 1 +ATOM 1465 N NZ . LYS B 1 66 ? -79.394 -4.245 -98.408 1.00 13.83 ? 66 LYS B NZ 1 +ATOM 1466 N N . VAL B 1 67 ? -76.296 -3.777 -102.794 1.00 13.22 ? 67 VAL B N 1 +ATOM 1467 C CA . VAL B 1 67 ? -76.999 -3.008 -103.809 1.00 13.34 ? 67 VAL B CA 1 +ATOM 1468 C C . VAL B 1 67 ? -78.452 -2.627 -103.475 1.00 13.24 ? 67 VAL B C 1 +ATOM 1469 O O . VAL B 1 67 ? -78.917 -1.549 -103.843 1.00 12.49 ? 67 VAL B O 1 +ATOM 1470 C CB . VAL B 1 67 ? -76.951 -3.764 -105.159 1.00 12.60 ? 67 VAL B CB 1 +ATOM 1471 C CG1 . VAL B 1 67 ? -77.661 -2.980 -106.223 1.00 14.04 ? 67 VAL B CG1 1 +ATOM 1472 C CG2 . VAL B 1 67 ? -75.510 -3.980 -105.574 1.00 11.77 ? 67 VAL B CG2 1 +ATOM 1473 N N . ALA B 1 68 ? -79.166 -3.506 -102.779 1.00 11.95 ? 68 ALA B N 1 +ATOM 1474 C CA . ALA B 1 68 ? -80.556 -3.235 -102.424 1.00 10.77 ? 68 ALA B CA 1 +ATOM 1475 C C . ALA B 1 68 ? -80.704 -1.933 -101.633 1.00 11.09 ? 68 ALA B C 1 +ATOM 1476 O O . ALA B 1 68 ? -80.121 -1.782 -100.560 1.00 12.48 ? 68 ALA B O 1 +ATOM 1477 C CB . ALA B 1 68 ? -81.113 -4.402 -101.623 1.00 10.00 ? 68 ALA B CB 1 +ATOM 1478 N N . THR B 1 69 ? -81.506 -1.012 -102.168 1.00 10.96 ? 69 THR B N 1 +ATOM 1479 C CA . THR B 1 69 ? -81.779 0.305 -101.576 1.00 10.70 ? 69 THR B CA 1 +ATOM 1480 C C . THR B 1 69 ? -80.544 1.202 -101.589 1.00 11.98 ? 69 THR B C 1 +ATOM 1481 O O . THR B 1 69 ? -80.432 2.161 -100.819 1.00 14.79 ? 69 THR B O 1 +ATOM 1482 C CB . THR B 1 69 ? -82.330 0.222 -100.110 1.00 9.15 ? 69 THR B CB 1 +ATOM 1483 O OG1 . THR B 1 69 ? -81.252 -0.013 -99.192 1.00 9.71 ? 69 THR B OG1 1 +ATOM 1484 C CG2 . THR B 1 69 ? -83.366 -0.892 -99.981 1.00 6.69 ? 69 THR B CG2 1 +ATOM 1485 N N . GLN B 1 70 ? -79.615 0.890 -102.477 1.00 12.83 ? 70 GLN B N 1 +ATOM 1486 C CA . GLN B 1 70 ? -78.399 1.670 -102.623 1.00 15.27 ? 70 GLN B CA 1 +ATOM 1487 C C . GLN B 1 70 ? -78.691 2.963 -103.378 1.00 16.07 ? 70 GLN B C 1 +ATOM 1488 O O . GLN B 1 70 ? -79.468 2.951 -104.328 1.00 18.28 ? 70 GLN B O 1 +ATOM 1489 C CB . GLN B 1 70 ? -77.384 0.871 -103.420 1.00 16.31 ? 70 GLN B CB 1 +ATOM 1490 C CG . GLN B 1 70 ? -76.355 1.715 -104.123 1.00 19.31 ? 70 GLN B CG 1 +ATOM 1491 C CD . GLN B 1 70 ? -75.727 0.983 -105.281 1.00 21.54 ? 70 GLN B CD 1 +ATOM 1492 O OE1 . GLN B 1 70 ? -76.372 0.764 -106.311 1.00 23.78 ? 70 GLN B OE1 1 +ATOM 1493 N NE2 . GLN B 1 70 ? -74.462 0.588 -105.121 1.00 20.74 ? 70 GLN B NE2 1 +ATOM 1494 N N . THR B 1 71 ? -78.075 4.071 -102.964 1.00 16.45 ? 71 THR B N 1 +ATOM 1495 C CA . THR B 1 71 ? -78.247 5.359 -103.653 1.00 16.01 ? 71 THR B CA 1 +ATOM 1496 C C . THR B 1 71 ? -76.970 5.598 -104.454 1.00 15.94 ? 71 THR B C 1 +ATOM 1497 O O . THR B 1 71 ? -75.934 5.945 -103.885 1.00 15.87 ? 71 THR B O 1 +ATOM 1498 C CB . THR B 1 71 ? -78.387 6.525 -102.671 1.00 16.12 ? 71 THR B CB 1 +ATOM 1499 O OG1 . THR B 1 71 ? -79.587 6.375 -101.907 1.00 18.38 ? 71 THR B OG1 1 +ATOM 1500 C CG2 . THR B 1 71 ? -78.429 7.832 -103.425 1.00 14.42 ? 71 THR B CG2 1 +ATOM 1501 N N . VAL B 1 72 ? -77.033 5.420 -105.767 1.00 15.66 ? 72 VAL B N 1 +ATOM 1502 C CA . VAL B 1 72 ? -75.837 5.593 -106.581 1.00 15.13 ? 72 VAL B CA 1 +ATOM 1503 C C . VAL B 1 72 ? -75.172 6.950 -106.398 1.00 15.43 ? 72 VAL B C 1 +ATOM 1504 O O . VAL B 1 72 ? -75.812 7.994 -106.525 1.00 15.75 ? 72 VAL B O 1 +ATOM 1505 C CB . VAL B 1 72 ? -76.136 5.373 -108.072 1.00 13.70 ? 72 VAL B CB 1 +ATOM 1506 C CG1 . VAL B 1 72 ? -74.843 5.422 -108.870 1.00 13.87 ? 72 VAL B CG1 1 +ATOM 1507 C CG2 . VAL B 1 72 ? -76.787 4.026 -108.263 1.00 13.28 ? 72 VAL B CG2 1 +ATOM 1508 N N . GLY B 1 73 ? -73.880 6.914 -106.086 1.00 15.75 ? 73 GLY B N 1 +ATOM 1509 C CA . GLY B 1 73 ? -73.123 8.135 -105.891 1.00 15.66 ? 73 GLY B CA 1 +ATOM 1510 C C . GLY B 1 73 ? -73.402 8.832 -104.573 1.00 15.65 ? 73 GLY B C 1 +ATOM 1511 O O . GLY B 1 73 ? -72.841 9.901 -104.303 1.00 16.67 ? 73 GLY B O 1 +ATOM 1512 N N . GLY B 1 74 ? -74.259 8.241 -103.747 1.00 14.65 ? 74 GLY B N 1 +ATOM 1513 C CA . GLY B 1 74 ? -74.581 8.859 -102.477 1.00 14.85 ? 74 GLY B CA 1 +ATOM 1514 C C . GLY B 1 74 ? -73.599 8.493 -101.385 1.00 15.70 ? 74 GLY B C 1 +ATOM 1515 O O . GLY B 1 74 ? -72.755 7.621 -101.566 1.00 15.74 ? 74 GLY B O 1 +ATOM 1516 N N . VAL B 1 75 ? -73.706 9.176 -100.248 1.00 15.97 ? 75 VAL B N 1 +ATOM 1517 C CA . VAL B 1 75 ? -72.837 8.918 -99.106 1.00 16.28 ? 75 VAL B CA 1 +ATOM 1518 C C . VAL B 1 75 ? -73.603 7.981 -98.184 1.00 17.68 ? 75 VAL B C 1 +ATOM 1519 O O . VAL B 1 75 ? -74.596 8.379 -97.577 1.00 18.05 ? 75 VAL B O 1 +ATOM 1520 C CB . VAL B 1 75 ? -72.520 10.220 -98.338 1.00 15.71 ? 75 VAL B CB 1 +ATOM 1521 C CG1 . VAL B 1 75 ? -71.758 9.910 -97.064 1.00 14.07 ? 75 VAL B CG1 1 +ATOM 1522 C CG2 . VAL B 1 75 ? -71.721 11.151 -99.218 1.00 14.81 ? 75 VAL B CG2 1 +ATOM 1523 N N . GLU B 1 76 ? -73.142 6.740 -98.078 1.00 18.68 ? 76 GLU B N 1 +ATOM 1524 C CA . GLU B 1 76 ? -73.812 5.752 -97.246 1.00 19.56 ? 76 GLU B CA 1 +ATOM 1525 C C . GLU B 1 76 ? -72.972 5.318 -96.049 1.00 19.63 ? 76 GLU B C 1 +ATOM 1526 O O . GLU B 1 76 ? -71.921 4.705 -96.220 1.00 20.36 ? 76 GLU B O 1 +ATOM 1527 C CB . GLU B 1 76 ? -74.169 4.546 -98.114 1.00 20.24 ? 76 GLU B CB 1 +ATOM 1528 C CG . GLU B 1 76 ? -74.972 4.957 -99.340 1.00 23.05 ? 76 GLU B CG 1 +ATOM 1529 C CD . GLU B 1 76 ? -75.157 3.848 -100.351 1.00 24.73 ? 76 GLU B CD 1 +ATOM 1530 O OE1 . GLU B 1 76 ? -74.143 3.294 -100.825 1.00 25.37 ? 76 GLU B OE1 1 +ATOM 1531 O OE2 . GLU B 1 76 ? -76.321 3.538 -100.679 1.00 25.19 ? 76 GLU B OE2 1 +ATOM 1532 N N . LEU B 1 77 ? -73.444 5.647 -94.845 1.00 18.66 ? 77 LEU B N 1 +ATOM 1533 C CA . LEU B 1 77 ? -72.765 5.293 -93.595 1.00 16.91 ? 77 LEU B CA 1 +ATOM 1534 C C . LEU B 1 77 ? -73.680 4.433 -92.721 1.00 17.14 ? 77 LEU B C 1 +ATOM 1535 O O . LEU B 1 77 ? -74.898 4.595 -92.747 1.00 19.21 ? 77 LEU B O 1 +ATOM 1536 C CB . LEU B 1 77 ? -72.392 6.556 -92.807 1.00 14.32 ? 77 LEU B CB 1 +ATOM 1537 C CG . LEU B 1 77 ? -71.159 7.415 -93.125 1.00 12.60 ? 77 LEU B CG 1 +ATOM 1538 C CD1 . LEU B 1 77 ? -70.062 6.561 -93.754 1.00 11.54 ? 77 LEU B CD1 1 +ATOM 1539 C CD2 . LEU B 1 77 ? -71.536 8.535 -94.037 1.00 11.70 ? 77 LEU B CD2 1 +ATOM 1540 N N . PRO B 1 78 ? -73.115 3.501 -91.938 1.00 16.79 ? 78 PRO B N 1 +ATOM 1541 C CA . PRO B 1 78 ? -71.700 3.154 -91.766 1.00 16.02 ? 78 PRO B CA 1 +ATOM 1542 C C . PRO B 1 78 ? -71.212 2.238 -92.886 1.00 16.11 ? 78 PRO B C 1 +ATOM 1543 O O . PRO B 1 78 ? -71.952 1.371 -93.361 1.00 16.65 ? 78 PRO B O 1 +ATOM 1544 C CB . PRO B 1 78 ? -71.692 2.459 -90.415 1.00 15.08 ? 78 PRO B CB 1 +ATOM 1545 C CG . PRO B 1 78 ? -72.991 1.739 -90.422 1.00 14.70 ? 78 PRO B CG 1 +ATOM 1546 C CD . PRO B 1 78 ? -73.935 2.798 -90.930 1.00 16.08 ? 78 PRO B CD 1 +ATOM 1547 N N . VAL B 1 79 ? -69.964 2.428 -93.297 1.00 15.50 ? 79 VAL B N 1 +ATOM 1548 C CA . VAL B 1 79 ? -69.382 1.627 -94.362 1.00 15.33 ? 79 VAL B CA 1 +ATOM 1549 C C . VAL B 1 79 ? -69.599 0.127 -94.157 1.00 15.78 ? 79 VAL B C 1 +ATOM 1550 O O . VAL B 1 79 ? -69.971 -0.591 -95.086 1.00 16.98 ? 79 VAL B O 1 +ATOM 1551 C CB . VAL B 1 79 ? -67.870 1.904 -94.481 1.00 15.68 ? 79 VAL B CB 1 +ATOM 1552 C CG1 . VAL B 1 79 ? -67.222 0.913 -95.443 1.00 15.15 ? 79 VAL B CG1 1 +ATOM 1553 C CG2 . VAL B 1 79 ? -67.650 3.331 -94.958 1.00 15.02 ? 79 VAL B CG2 1 +ATOM 1554 N N . ALA B 1 80 ? -69.374 -0.340 -92.937 1.00 15.25 ? 80 ALA B N 1 +ATOM 1555 C CA . ALA B 1 80 ? -69.526 -1.755 -92.626 1.00 14.86 ? 80 ALA B CA 1 +ATOM 1556 C C . ALA B 1 80 ? -70.918 -2.324 -92.897 1.00 15.43 ? 80 ALA B C 1 +ATOM 1557 O O . ALA B 1 80 ? -71.102 -3.542 -92.885 1.00 17.36 ? 80 ALA B O 1 +ATOM 1558 C CB . ALA B 1 80 ? -69.153 -2.000 -91.177 1.00 14.36 ? 80 ALA B CB 1 +ATOM 1559 N N . ALA B 1 81 ? -71.902 -1.464 -93.130 1.00 14.86 ? 81 ALA B N 1 +ATOM 1560 C CA . ALA B 1 81 ? -73.252 -1.957 -93.378 1.00 14.84 ? 81 ALA B CA 1 +ATOM 1561 C C . ALA B 1 81 ? -73.491 -2.158 -94.863 1.00 14.91 ? 81 ALA B C 1 +ATOM 1562 O O . ALA B 1 81 ? -74.326 -2.969 -95.256 1.00 15.99 ? 81 ALA B O 1 +ATOM 1563 C CB . ALA B 1 81 ? -74.287 -0.983 -92.812 1.00 13.67 ? 81 ALA B CB 1 +ATOM 1564 N N . TRP B 1 82 ? -72.736 -1.430 -95.681 1.00 14.46 ? 82 TRP B N 1 +ATOM 1565 C CA . TRP B 1 82 ? -72.897 -1.503 -97.119 1.00 13.86 ? 82 TRP B CA 1 +ATOM 1566 C C . TRP B 1 82 ? -71.868 -2.282 -97.915 1.00 14.48 ? 82 TRP B C 1 +ATOM 1567 O O . TRP B 1 82 ? -71.861 -2.193 -99.141 1.00 14.36 ? 82 TRP B O 1 +ATOM 1568 C CB . TRP B 1 82 ? -72.982 -0.094 -97.686 1.00 13.36 ? 82 TRP B CB 1 +ATOM 1569 C CG . TRP B 1 82 ? -74.174 0.636 -97.213 1.00 13.82 ? 82 TRP B CG 1 +ATOM 1570 C CD1 . TRP B 1 82 ? -74.292 1.362 -96.064 1.00 14.26 ? 82 TRP B CD1 1 +ATOM 1571 C CD2 . TRP B 1 82 ? -75.458 0.675 -97.847 1.00 14.65 ? 82 TRP B CD2 1 +ATOM 1572 N NE1 . TRP B 1 82 ? -75.574 1.848 -95.941 1.00 15.20 ? 82 TRP B NE1 1 +ATOM 1573 C CE2 . TRP B 1 82 ? -76.310 1.437 -97.022 1.00 14.40 ? 82 TRP B CE2 1 +ATOM 1574 C CE3 . TRP B 1 82 ? -75.973 0.127 -99.032 1.00 14.22 ? 82 TRP B CE3 1 +ATOM 1575 C CZ2 . TRP B 1 82 ? -77.647 1.676 -97.345 1.00 14.84 ? 82 TRP B CZ2 1 +ATOM 1576 C CZ3 . TRP B 1 82 ? -77.302 0.363 -99.353 1.00 14.91 ? 82 TRP B CZ3 1 +ATOM 1577 C CH2 . TRP B 1 82 ? -78.125 1.129 -98.510 1.00 14.73 ? 82 TRP B CH2 1 +ATOM 1578 N N . ARG B 1 83 ? -71.011 -3.052 -97.254 1.00 15.39 ? 83 ARG B N 1 +ATOM 1579 C CA . ARG B 1 83 ? -70.007 -3.809 -97.998 1.00 16.03 ? 83 ARG B CA 1 +ATOM 1580 C C . ARG B 1 83 ? -69.708 -5.218 -97.498 1.00 15.58 ? 83 ARG B C 1 +ATOM 1581 O O . ARG B 1 83 ? -69.781 -5.497 -96.298 1.00 16.57 ? 83 ARG B O 1 +ATOM 1582 C CB . ARG B 1 83 ? -68.712 -3.001 -98.058 1.00 17.05 ? 83 ARG B CB 1 +ATOM 1583 C CG . ARG B 1 83 ? -68.913 -1.660 -98.738 1.00 19.68 ? 83 ARG B CG 1 +ATOM 1584 C CD . ARG B 1 83 ? -67.618 -0.913 -98.931 1.00 21.90 ? 83 ARG B CD 1 +ATOM 1585 N NE . ARG B 1 83 ? -66.782 -1.470 -99.991 1.00 22.06 ? 83 ARG B NE 1 +ATOM 1586 C CZ . ARG B 1 83 ? -67.132 -1.520 -101.271 1.00 20.81 ? 83 ARG B CZ 1 +ATOM 1587 N NH1 . ARG B 1 83 ? -68.312 -1.049 -101.659 1.00 19.09 ? 83 ARG B NH1 1 +ATOM 1588 N NH2 . ARG B 1 83 ? -66.285 -2.017 -102.162 1.00 21.31 ? 83 ARG B NH2 1 +ATOM 1589 N N . SER B 1 84 ? -69.390 -6.111 -98.431 1.00 14.17 ? 84 SER B N 1 +ATOM 1590 C CA . SER B 1 84 ? -69.039 -7.483 -98.090 1.00 14.00 ? 84 SER B CA 1 +ATOM 1591 C C . SER B 1 84 ? -67.568 -7.677 -98.441 1.00 14.31 ? 84 SER B C 1 +ATOM 1592 O O . SER B 1 84 ? -67.092 -7.156 -99.454 1.00 13.65 ? 84 SER B O 1 +ATOM 1593 C CB . SER B 1 84 ? -69.910 -8.476 -98.856 1.00 13.97 ? 84 SER B CB 1 +ATOM 1594 O OG . SER B 1 84 ? -71.249 -8.440 -98.384 1.00 15.90 ? 84 SER B OG 1 +ATOM 1595 N N . TYR B 1 85 ? -66.845 -8.412 -97.599 1.00 14.64 ? 85 TYR B N 1 +ATOM 1596 C CA . TYR B 1 85 ? -65.423 -8.634 -97.821 1.00 14.02 ? 85 TYR B CA 1 +ATOM 1597 C C . TYR B 1 85 ? -65.027 -10.099 -97.900 1.00 15.70 ? 85 TYR B C 1 +ATOM 1598 O O . TYR B 1 85 ? -65.361 -10.888 -97.020 1.00 16.05 ? 85 TYR B O 1 +ATOM 1599 C CB . TYR B 1 85 ? -64.605 -7.976 -96.712 1.00 12.18 ? 85 TYR B CB 1 +ATOM 1600 C CG . TYR B 1 85 ? -64.845 -6.496 -96.550 1.00 12.51 ? 85 TYR B CG 1 +ATOM 1601 C CD1 . TYR B 1 85 ? -65.874 -6.020 -95.743 1.00 13.03 ? 85 TYR B CD1 1 +ATOM 1602 C CD2 . TYR B 1 85 ? -64.041 -5.570 -97.207 1.00 13.90 ? 85 TYR B CD2 1 +ATOM 1603 C CE1 . TYR B 1 85 ? -66.097 -4.660 -95.593 1.00 14.19 ? 85 TYR B CE1 1 +ATOM 1604 C CE2 . TYR B 1 85 ? -64.256 -4.200 -97.070 1.00 14.68 ? 85 TYR B CE2 1 +ATOM 1605 C CZ . TYR B 1 85 ? -65.284 -3.752 -96.261 1.00 15.70 ? 85 TYR B CZ 1 +ATOM 1606 O OH . TYR B 1 85 ? -65.514 -2.398 -96.140 1.00 18.31 ? 85 TYR B OH 1 +ATOM 1607 N N . LEU B 1 86 ? -64.293 -10.450 -98.953 1.00 16.98 ? 86 LEU B N 1 +ATOM 1608 C CA . LEU B 1 86 ? -63.815 -11.810 -99.143 1.00 19.07 ? 86 LEU B CA 1 +ATOM 1609 C C . LEU B 1 86 ? -62.282 -11.850 -99.091 1.00 21.00 ? 86 LEU B C 1 +ATOM 1610 O O . LEU B 1 86 ? -61.616 -11.123 -99.829 1.00 20.76 ? 86 LEU B O 1 +ATOM 1611 C CB . LEU B 1 86 ? -64.279 -12.346 -100.499 1.00 18.69 ? 86 LEU B CB 1 +ATOM 1612 C CG . LEU B 1 86 ? -63.682 -13.698 -100.903 1.00 18.88 ? 86 LEU B CG 1 +ATOM 1613 C CD1 . LEU B 1 86 ? -64.153 -14.757 -99.927 1.00 20.58 ? 86 LEU B CD1 1 +ATOM 1614 C CD2 . LEU B 1 86 ? -64.099 -14.065 -102.311 1.00 19.92 ? 86 LEU B CD2 1 +ATOM 1615 N N . ASN B 1 87 ? -61.729 -12.682 -98.213 1.00 22.78 ? 87 ASN B N 1 +ATOM 1616 C CA . ASN B 1 87 ? -60.282 -12.838 -98.110 1.00 25.01 ? 87 ASN B CA 1 +ATOM 1617 C C . ASN B 1 87 ? -59.946 -14.270 -98.452 1.00 24.17 ? 87 ASN B C 1 +ATOM 1618 O O . ASN B 1 87 ? -60.320 -15.191 -97.732 1.00 23.57 ? 87 ASN B O 1 +ATOM 1619 C CB . ASN B 1 87 ? -59.778 -12.532 -96.703 1.00 29.94 ? 87 ASN B CB 1 +ATOM 1620 C CG . ASN B 1 87 ? -59.896 -11.065 -96.351 1.00 37.47 ? 87 ASN B CG 1 +ATOM 1621 O OD1 . ASN B 1 87 ? -59.215 -10.219 -96.938 1.00 42.48 ? 87 ASN B OD1 1 +ATOM 1622 N ND2 . ASN B 1 87 ? -60.768 -10.747 -95.388 1.00 40.36 ? 87 ASN B ND2 1 +ATOM 1623 N N . MET B 1 88 ? -59.250 -14.455 -99.565 1.00 23.44 ? 88 MET B N 1 +ATOM 1624 C CA . MET B 1 88 ? -58.845 -15.775 -100.003 1.00 24.11 ? 88 MET B CA 1 +ATOM 1625 C C . MET B 1 88 ? -57.343 -15.887 -99.896 1.00 24.46 ? 88 MET B C 1 +ATOM 1626 O O . MET B 1 88 ? -56.621 -14.978 -100.283 1.00 24.66 ? 88 MET B O 1 +ATOM 1627 C CB . MET B 1 88 ? -59.243 -16.008 -101.453 1.00 25.51 ? 88 MET B CB 1 +ATOM 1628 C CG . MET B 1 88 ? -60.588 -16.652 -101.638 1.00 29.46 ? 88 MET B CG 1 +ATOM 1629 S SD . MET B 1 88 ? -60.936 -16.859 -103.385 1.00 33.59 ? 88 MET B SD 1 +ATOM 1630 C CE . MET B 1 88 ? -59.432 -17.682 -103.921 1.00 32.38 ? 88 MET B CE 1 +ATOM 1631 N N . GLU B 1 89 ? -56.878 -17.000 -99.354 1.00 25.30 ? 89 GLU B N 1 +ATOM 1632 C CA . GLU B 1 89 ? -55.457 -17.245 -99.231 1.00 26.24 ? 89 GLU B CA 1 +ATOM 1633 C C . GLU B 1 89 ? -55.243 -18.655 -99.707 1.00 24.56 ? 89 GLU B C 1 +ATOM 1634 O O . GLU B 1 89 ? -55.773 -19.606 -99.137 1.00 24.35 ? 89 GLU B O 1 +ATOM 1635 C CB . GLU B 1 89 ? -54.998 -17.104 -97.794 1.00 31.01 ? 89 GLU B CB 1 +ATOM 1636 C CG . GLU B 1 89 ? -54.209 -15.841 -97.555 1.00 39.66 ? 89 GLU B CG 1 +ATOM 1637 C CD . GLU B 1 89 ? -53.715 -15.743 -96.132 1.00 45.60 ? 89 GLU B CD 1 +ATOM 1638 O OE1 . GLU B 1 89 ? -53.055 -16.708 -95.668 1.00 47.55 ? 89 GLU B OE1 1 +ATOM 1639 O OE2 . GLU B 1 89 ? -53.986 -14.703 -95.487 1.00 48.53 ? 89 GLU B OE2 1 +ATOM 1640 N N . LEU B 1 90 ? -54.473 -18.783 -100.775 1.00 22.66 ? 90 LEU B N 1 +ATOM 1641 C CA . LEU B 1 90 ? -54.200 -20.074 -101.366 1.00 19.95 ? 90 LEU B CA 1 +ATOM 1642 C C . LEU B 1 90 ? -52.731 -20.435 -101.200 1.00 19.02 ? 90 LEU B C 1 +ATOM 1643 O O . LEU B 1 90 ? -51.857 -19.723 -101.688 1.00 18.92 ? 90 LEU B O 1 +ATOM 1644 C CB . LEU B 1 90 ? -54.578 -20.026 -102.845 1.00 18.40 ? 90 LEU B CB 1 +ATOM 1645 C CG . LEU B 1 90 ? -54.366 -21.286 -103.671 1.00 19.34 ? 90 LEU B CG 1 +ATOM 1646 C CD1 . LEU B 1 90 ? -54.999 -22.479 -102.964 1.00 20.73 ? 90 LEU B CD1 1 +ATOM 1647 C CD2 . LEU B 1 90 ? -54.971 -21.083 -105.054 1.00 18.30 ? 90 LEU B CD2 1 +ATOM 1648 N N . THR B 1 91 ? -52.461 -21.530 -100.496 1.00 18.23 ? 91 THR B N 1 +ATOM 1649 C CA . THR B 1 91 ? -51.087 -21.976 -100.273 1.00 17.70 ? 91 THR B CA 1 +ATOM 1650 C C . THR B 1 91 ? -50.729 -23.141 -101.186 1.00 17.77 ? 91 THR B C 1 +ATOM 1651 O O . THR B 1 91 ? -51.367 -24.193 -101.142 1.00 18.17 ? 91 THR B O 1 +ATOM 1652 C CB . THR B 1 91 ? -50.872 -22.417 -98.823 1.00 17.31 ? 91 THR B CB 1 +ATOM 1653 O OG1 . THR B 1 91 ? -51.038 -21.288 -97.958 1.00 19.84 ? 91 THR B OG1 1 +ATOM 1654 C CG2 . THR B 1 91 ? -49.472 -22.988 -98.643 1.00 16.48 ? 91 THR B CG2 1 +ATOM 1655 N N . ILE B 1 92 ? -49.694 -22.957 -101.998 1.00 17.89 ? 92 ILE B N 1 +ATOM 1656 C CA . ILE B 1 92 ? -49.277 -23.995 -102.927 1.00 18.15 ? 92 ILE B CA 1 +ATOM 1657 C C . ILE B 1 92 ? -47.806 -24.347 -102.756 1.00 18.97 ? 92 ILE B C 1 +ATOM 1658 O O . ILE B 1 92 ? -46.936 -23.492 -102.921 1.00 19.80 ? 92 ILE B O 1 +ATOM 1659 C CB . ILE B 1 92 ? -49.488 -23.538 -104.383 1.00 17.58 ? 92 ILE B CB 1 +ATOM 1660 C CG1 . ILE B 1 92 ? -50.882 -22.923 -104.538 1.00 17.82 ? 92 ILE B CG1 1 +ATOM 1661 C CG2 . ILE B 1 92 ? -49.323 -24.715 -105.322 1.00 17.79 ? 92 ILE B CG2 1 +ATOM 1662 C CD1 . ILE B 1 92 ? -51.159 -22.340 -105.908 1.00 17.19 ? 92 ILE B CD1 1 +ATOM 1663 N N . PRO B 1 93 ? -47.510 -25.617 -102.422 1.00 19.02 ? 93 PRO B N 1 +ATOM 1664 C CA . PRO B 1 93 ? -46.142 -26.118 -102.225 1.00 18.71 ? 93 PRO B CA 1 +ATOM 1665 C C . PRO B 1 93 ? -45.308 -25.882 -103.478 1.00 19.31 ? 93 PRO B C 1 +ATOM 1666 O O . PRO B 1 93 ? -45.822 -25.987 -104.593 1.00 20.59 ? 93 PRO B O 1 +ATOM 1667 C CB . PRO B 1 93 ? -46.360 -27.601 -101.961 1.00 18.08 ? 93 PRO B CB 1 +ATOM 1668 C CG . PRO B 1 93 ? -47.678 -27.619 -101.271 1.00 19.94 ? 93 PRO B CG 1 +ATOM 1669 C CD . PRO B 1 93 ? -48.494 -26.665 -102.112 1.00 19.72 ? 93 PRO B CD 1 +ATOM 1670 N N . ILE B 1 94 ? -44.026 -25.573 -103.310 1.00 18.53 ? 94 ILE B N 1 +ATOM 1671 C CA . ILE B 1 94 ? -43.170 -25.310 -104.461 1.00 18.93 ? 94 ILE B CA 1 +ATOM 1672 C C . ILE B 1 94 ? -43.048 -26.503 -105.418 1.00 19.01 ? 94 ILE B C 1 +ATOM 1673 O O . ILE B 1 94 ? -42.566 -26.350 -106.545 1.00 19.77 ? 94 ILE B O 1 +ATOM 1674 C CB . ILE B 1 94 ? -41.746 -24.870 -104.024 1.00 19.27 ? 94 ILE B CB 1 +ATOM 1675 C CG1 . ILE B 1 94 ? -41.047 -26.011 -103.278 1.00 19.86 ? 94 ILE B CG1 1 +ATOM 1676 C CG2 . ILE B 1 94 ? -41.828 -23.633 -103.139 1.00 20.06 ? 94 ILE B CG2 1 +ATOM 1677 C CD1 . ILE B 1 94 ? -39.647 -25.678 -102.822 1.00 17.96 ? 94 ILE B CD1 1 +ATOM 1678 N N . PHE B 1 95 ? -43.487 -27.684 -104.986 1.00 18.23 ? 95 PHE B N 1 +ATOM 1679 C CA . PHE B 1 95 ? -43.400 -28.871 -105.836 1.00 18.86 ? 95 PHE B CA 1 +ATOM 1680 C C . PHE B 1 95 ? -44.539 -28.982 -106.842 1.00 19.77 ? 95 PHE B C 1 +ATOM 1681 O O . PHE B 1 95 ? -44.507 -29.841 -107.725 1.00 20.96 ? 95 PHE B O 1 +ATOM 1682 C CB . PHE B 1 95 ? -43.381 -30.143 -104.984 1.00 18.06 ? 95 PHE B CB 1 +ATOM 1683 C CG . PHE B 1 95 ? -42.361 -30.116 -103.895 1.00 20.07 ? 95 PHE B CG 1 +ATOM 1684 C CD1 . PHE B 1 95 ? -41.009 -30.287 -104.192 1.00 20.65 ? 95 PHE B CD1 1 +ATOM 1685 C CD2 . PHE B 1 95 ? -42.737 -29.861 -102.581 1.00 19.86 ? 95 PHE B CD2 1 +ATOM 1686 C CE1 . PHE B 1 95 ? -40.048 -30.197 -103.198 1.00 19.82 ? 95 PHE B CE1 1 +ATOM 1687 C CE2 . PHE B 1 95 ? -41.782 -29.767 -101.577 1.00 19.59 ? 95 PHE B CE2 1 +ATOM 1688 C CZ . PHE B 1 95 ? -40.434 -29.934 -101.886 1.00 19.17 ? 95 PHE B CZ 1 +ATOM 1689 N N . ALA B 1 96 ? -45.544 -28.120 -106.715 1.00 20.00 ? 96 ALA B N 1 +ATOM 1690 C CA . ALA B 1 96 ? -46.698 -28.164 -107.609 1.00 21.11 ? 96 ALA B CA 1 +ATOM 1691 C C . ALA B 1 96 ? -46.383 -27.711 -109.026 1.00 21.47 ? 96 ALA B C 1 +ATOM 1692 O O . ALA B 1 96 ? -45.904 -26.598 -109.238 1.00 22.92 ? 96 ALA B O 1 +ATOM 1693 C CB . ALA B 1 96 ? -47.839 -27.314 -107.034 1.00 21.29 ? 96 ALA B CB 1 +ATOM 1694 N N . THR B 1 97 ? -46.663 -28.581 -109.991 1.00 20.42 ? 97 THR B N 1 +ATOM 1695 C CA . THR B 1 97 ? -46.438 -28.280 -111.397 1.00 20.12 ? 97 THR B CA 1 +ATOM 1696 C C . THR B 1 97 ? -47.632 -27.490 -111.914 1.00 20.62 ? 97 THR B C 1 +ATOM 1697 O O . THR B 1 97 ? -48.565 -27.206 -111.166 1.00 20.94 ? 97 THR B O 1 +ATOM 1698 C CB . THR B 1 97 ? -46.357 -29.555 -112.222 1.00 19.75 ? 97 THR B CB 1 +ATOM 1699 O OG1 . THR B 1 97 ? -47.639 -30.190 -112.219 1.00 20.27 ? 97 THR B OG1 1 +ATOM 1700 C CG2 . THR B 1 97 ? -45.332 -30.502 -111.634 1.00 19.05 ? 97 THR B CG2 1 +ATOM 1701 N N . ASN B 1 98 ? -47.614 -27.141 -113.195 1.00 21.22 ? 98 ASN B N 1 +ATOM 1702 C CA . ASN B 1 98 ? -48.726 -26.397 -113.763 1.00 22.05 ? 98 ASN B CA 1 +ATOM 1703 C C . ASN B 1 98 ? -49.973 -27.276 -113.727 1.00 22.53 ? 98 ASN B C 1 +ATOM 1704 O O . ASN B 1 98 ? -51.070 -26.791 -113.460 1.00 23.70 ? 98 ASN B O 1 +ATOM 1705 C CB . ASN B 1 98 ? -48.400 -25.960 -115.192 1.00 22.74 ? 98 ASN B CB 1 +ATOM 1706 C CG . ASN B 1 98 ? -47.474 -24.747 -115.239 1.00 23.60 ? 98 ASN B CG 1 +ATOM 1707 O OD1 . ASN B 1 98 ? -46.861 -24.373 -114.239 1.00 25.43 ? 98 ASN B OD1 1 +ATOM 1708 N ND2 . ASN B 1 98 ? -47.365 -24.135 -116.408 1.00 24.66 ? 98 ASN B ND2 1 +ATOM 1709 N N . SER B 1 99 ? -49.802 -28.573 -113.974 1.00 22.14 ? 99 SER B N 1 +ATOM 1710 C CA . SER B 1 99 ? -50.930 -29.499 -113.934 1.00 21.88 ? 99 SER B CA 1 +ATOM 1711 C C . SER B 1 99 ? -51.512 -29.529 -112.531 1.00 21.78 ? 99 SER B C 1 +ATOM 1712 O O . SER B 1 99 ? -52.720 -29.420 -112.355 1.00 22.50 ? 99 SER B O 1 +ATOM 1713 C CB . SER B 1 99 ? -50.488 -30.903 -114.304 1.00 21.87 ? 99 SER B CB 1 +ATOM 1714 O OG . SER B 1 99 ? -50.018 -30.934 -115.633 1.00 27.37 ? 99 SER B OG 1 +ATOM 1715 N N . ASP B 1 100 ? -50.653 -29.688 -111.532 1.00 21.02 ? 100 ASP B N 1 +ATOM 1716 C CA . ASP B 1 100 ? -51.126 -29.709 -110.160 1.00 20.87 ? 100 ASP B CA 1 +ATOM 1717 C C . ASP B 1 100 ? -51.946 -28.450 -109.894 1.00 20.92 ? 100 ASP B C 1 +ATOM 1718 O O . ASP B 1 100 ? -53.003 -28.508 -109.268 1.00 20.74 ? 100 ASP B O 1 +ATOM 1719 C CB . ASP B 1 100 ? -49.957 -29.763 -109.175 1.00 22.28 ? 100 ASP B CB 1 +ATOM 1720 C CG . ASP B 1 100 ? -49.120 -31.012 -109.326 1.00 22.98 ? 100 ASP B CG 1 +ATOM 1721 O OD1 . ASP B 1 100 ? -49.675 -32.061 -109.720 1.00 23.99 ? 100 ASP B OD1 1 +ATOM 1722 O OD2 . ASP B 1 100 ? -47.907 -30.944 -109.032 1.00 24.34 ? 100 ASP B OD2 1 +ATOM 1723 N N . CYS B 1 101 ? -51.457 -27.312 -110.382 1.00 20.63 ? 101 CYS B N 1 +ATOM 1724 C CA . CYS B 1 101 ? -52.145 -26.047 -110.179 1.00 21.28 ? 101 CYS B CA 1 +ATOM 1725 C C . CYS B 1 101 ? -53.469 -25.960 -110.924 1.00 21.26 ? 101 CYS B C 1 +ATOM 1726 O O . CYS B 1 101 ? -54.428 -25.365 -110.435 1.00 21.36 ? 101 CYS B O 1 +ATOM 1727 C CB . CYS B 1 101 ? -51.232 -24.886 -110.569 1.00 21.51 ? 101 CYS B CB 1 +ATOM 1728 S SG . CYS B 1 101 ? -49.832 -24.695 -109.433 1.00 23.57 ? 101 CYS B SG 1 +ATOM 1729 N N . GLU B 1 102 ? -53.532 -26.550 -112.106 1.00 21.02 ? 102 GLU B N 1 +ATOM 1730 C CA . GLU B 1 102 ? -54.772 -26.528 -112.853 1.00 21.59 ? 102 GLU B CA 1 +ATOM 1731 C C . GLU B 1 102 ? -55.816 -27.287 -112.060 1.00 20.37 ? 102 GLU B C 1 +ATOM 1732 O O . GLU B 1 102 ? -56.981 -26.899 -112.013 1.00 20.24 ? 102 GLU B O 1 +ATOM 1733 C CB . GLU B 1 102 ? -54.578 -27.181 -114.209 1.00 23.69 ? 102 GLU B CB 1 +ATOM 1734 C CG . GLU B 1 102 ? -53.767 -26.332 -115.152 1.00 30.00 ? 102 GLU B CG 1 +ATOM 1735 C CD . GLU B 1 102 ? -53.469 -27.042 -116.451 1.00 33.29 ? 102 GLU B CD 1 +ATOM 1736 O OE1 . GLU B 1 102 ? -54.301 -27.883 -116.869 1.00 36.90 ? 102 GLU B OE1 1 +ATOM 1737 O OE2 . GLU B 1 102 ? -52.415 -26.749 -117.056 1.00 34.58 ? 102 GLU B OE2 1 +ATOM 1738 N N . LEU B 1 103 ? -55.391 -28.368 -111.425 1.00 19.33 ? 103 LEU B N 1 +ATOM 1739 C CA . LEU B 1 103 ? -56.304 -29.171 -110.636 1.00 19.38 ? 103 LEU B CA 1 +ATOM 1740 C C . LEU B 1 103 ? -56.806 -28.352 -109.456 1.00 19.73 ? 103 LEU B C 1 +ATOM 1741 O O . LEU B 1 103 ? -57.986 -28.389 -109.115 1.00 19.94 ? 103 LEU B O 1 +ATOM 1742 C CB . LEU B 1 103 ? -55.596 -30.426 -110.150 1.00 20.31 ? 103 LEU B CB 1 +ATOM 1743 C CG . LEU B 1 103 ? -56.521 -31.469 -109.538 1.00 22.11 ? 103 LEU B CG 1 +ATOM 1744 C CD1 . LEU B 1 103 ? -56.269 -32.806 -110.195 1.00 21.49 ? 103 LEU B CD1 1 +ATOM 1745 C CD2 . LEU B 1 103 ? -56.292 -31.545 -108.037 1.00 23.84 ? 103 LEU B CD2 1 +ATOM 1746 N N . ILE B 1 104 ? -55.905 -27.597 -108.841 1.00 19.57 ? 104 ILE B N 1 +ATOM 1747 C CA . ILE B 1 104 ? -56.257 -26.758 -107.700 1.00 18.21 ? 104 ILE B CA 1 +ATOM 1748 C C . ILE B 1 104 ? -57.293 -25.707 -108.086 1.00 18.41 ? 104 ILE B C 1 +ATOM 1749 O O . ILE B 1 104 ? -58.165 -25.360 -107.290 1.00 19.10 ? 104 ILE B O 1 +ATOM 1750 C CB . ILE B 1 104 ? -55.006 -26.065 -107.129 1.00 16.94 ? 104 ILE B CB 1 +ATOM 1751 C CG1 . ILE B 1 104 ? -54.065 -27.130 -106.557 1.00 16.43 ? 104 ILE B CG1 1 +ATOM 1752 C CG2 . ILE B 1 104 ? -55.400 -25.040 -106.072 1.00 15.33 ? 104 ILE B CG2 1 +ATOM 1753 C CD1 . ILE B 1 104 ? -52.786 -26.589 -105.977 1.00 15.90 ? 104 ILE B CD1 1 +ATOM 1754 N N . VAL B 1 105 ? -57.202 -25.201 -109.308 1.00 18.13 ? 105 VAL B N 1 +ATOM 1755 C CA . VAL B 1 105 ? -58.151 -24.203 -109.767 1.00 18.70 ? 105 VAL B CA 1 +ATOM 1756 C C . VAL B 1 105 ? -59.523 -24.834 -109.973 1.00 20.18 ? 105 VAL B C 1 +ATOM 1757 O O . VAL B 1 105 ? -60.546 -24.215 -109.674 1.00 20.45 ? 105 VAL B O 1 +ATOM 1758 C CB . VAL B 1 105 ? -57.690 -23.551 -111.078 1.00 17.34 ? 105 VAL B CB 1 +ATOM 1759 C CG1 . VAL B 1 105 ? -58.778 -22.632 -111.606 1.00 15.77 ? 105 VAL B CG1 1 +ATOM 1760 C CG2 . VAL B 1 105 ? -56.415 -22.761 -110.838 1.00 16.63 ? 105 VAL B CG2 1 +ATOM 1761 N N . LYS B 1 106 ? -59.545 -26.067 -110.475 1.00 20.75 ? 106 LYS B N 1 +ATOM 1762 C CA . LYS B 1 106 ? -60.806 -26.768 -110.694 1.00 21.70 ? 106 LYS B CA 1 +ATOM 1763 C C . LYS B 1 106 ? -61.508 -27.000 -109.368 1.00 22.29 ? 106 LYS B C 1 +ATOM 1764 O O . LYS B 1 106 ? -62.728 -26.889 -109.269 1.00 23.34 ? 106 LYS B O 1 +ATOM 1765 C CB . LYS B 1 106 ? -60.567 -28.113 -111.369 1.00 22.87 ? 106 LYS B CB 1 +ATOM 1766 C CG . LYS B 1 106 ? -60.174 -28.018 -112.825 1.00 24.25 ? 106 LYS B CG 1 +ATOM 1767 C CD . LYS B 1 106 ? -59.947 -29.401 -113.396 1.00 27.96 ? 106 LYS B CD 1 +ATOM 1768 C CE . LYS B 1 106 ? -59.807 -29.349 -114.895 1.00 30.93 ? 106 LYS B CE 1 +ATOM 1769 N NZ . LYS B 1 106 ? -61.088 -28.878 -115.507 1.00 35.14 ? 106 LYS B NZ 1 +ATOM 1770 N N . ALA B 1 107 ? -60.730 -27.328 -108.346 1.00 21.96 ? 107 ALA B N 1 +ATOM 1771 C CA . ALA B 1 107 ? -61.298 -27.568 -107.031 1.00 21.43 ? 107 ALA B CA 1 +ATOM 1772 C C . ALA B 1 107 ? -61.995 -26.299 -106.567 1.00 21.45 ? 107 ALA B C 1 +ATOM 1773 O O . ALA B 1 107 ? -63.044 -26.360 -105.930 1.00 22.35 ? 107 ALA B O 1 +ATOM 1774 C CB . ALA B 1 107 ? -60.210 -27.963 -106.053 1.00 20.87 ? 107 ALA B CB 1 +ATOM 1775 N N . MET B 1 108 ? -61.418 -25.146 -106.892 1.00 20.85 ? 108 MET B N 1 +ATOM 1776 C CA . MET B 1 108 ? -62.022 -23.886 -106.489 1.00 21.02 ? 108 MET B CA 1 +ATOM 1777 C C . MET B 1 108 ? -63.277 -23.591 -107.293 1.00 20.62 ? 108 MET B C 1 +ATOM 1778 O O . MET B 1 108 ? -64.268 -23.116 -106.744 1.00 21.44 ? 108 MET B O 1 +ATOM 1779 C CB . MET B 1 108 ? -61.030 -22.742 -106.633 1.00 22.80 ? 108 MET B CB 1 +ATOM 1780 C CG . MET B 1 108 ? -59.900 -22.803 -105.627 1.00 26.18 ? 108 MET B CG 1 +ATOM 1781 S SD . MET B 1 108 ? -58.807 -21.372 -105.745 1.00 30.08 ? 108 MET B SD 1 +ATOM 1782 C CE . MET B 1 108 ? -57.783 -21.845 -107.088 1.00 28.02 ? 108 MET B CE 1 +ATOM 1783 N N . GLN B 1 109 ? -63.248 -23.883 -108.589 1.00 18.68 ? 109 GLN B N 1 +ATOM 1784 C CA . GLN B 1 109 ? -64.419 -23.636 -109.424 1.00 16.72 ? 109 GLN B CA 1 +ATOM 1785 C C . GLN B 1 109 ? -65.551 -24.561 -108.989 1.00 16.32 ? 109 GLN B C 1 +ATOM 1786 O O . GLN B 1 109 ? -66.702 -24.143 -108.900 1.00 17.11 ? 109 GLN B O 1 +ATOM 1787 C CB . GLN B 1 109 ? -64.089 -23.867 -110.904 1.00 16.64 ? 109 GLN B CB 1 +ATOM 1788 C CG . GLN B 1 109 ? -62.869 -23.095 -111.392 1.00 18.98 ? 109 GLN B CG 1 +ATOM 1789 C CD . GLN B 1 109 ? -62.582 -23.301 -112.865 1.00 19.90 ? 109 GLN B CD 1 +ATOM 1790 O OE1 . GLN B 1 109 ? -62.635 -24.423 -113.371 1.00 22.03 ? 109 GLN B OE1 1 +ATOM 1791 N NE2 . GLN B 1 109 ? -62.262 -22.217 -113.562 1.00 18.25 ? 109 GLN B NE2 1 +ATOM 1792 N N . GLY B 1 110 ? -65.218 -25.817 -108.708 1.00 14.86 ? 110 GLY B N 1 +ATOM 1793 C CA . GLY B 1 110 ? -66.227 -26.772 -108.285 1.00 15.44 ? 110 GLY B CA 1 +ATOM 1794 C C . GLY B 1 110 ? -66.856 -26.389 -106.957 1.00 17.17 ? 110 GLY B C 1 +ATOM 1795 O O . GLY B 1 110 ? -68.065 -26.519 -106.755 1.00 17.31 ? 110 GLY B O 1 +ATOM 1796 N N . LEU B 1 111 ? -66.030 -25.914 -106.037 1.00 17.88 ? 111 LEU B N 1 +ATOM 1797 C CA . LEU B 1 111 ? -66.516 -25.509 -104.731 1.00 18.27 ? 111 LEU B CA 1 +ATOM 1798 C C . LEU B 1 111 ? -67.618 -24.459 -104.869 1.00 19.63 ? 111 LEU B C 1 +ATOM 1799 O O . LEU B 1 111 ? -68.594 -24.457 -104.108 1.00 18.86 ? 111 LEU B O 1 +ATOM 1800 C CB . LEU B 1 111 ? -65.361 -24.931 -103.918 1.00 17.01 ? 111 LEU B CB 1 +ATOM 1801 C CG . LEU B 1 111 ? -65.707 -24.239 -102.601 1.00 17.91 ? 111 LEU B CG 1 +ATOM 1802 C CD1 . LEU B 1 111 ? -66.175 -25.259 -101.593 1.00 18.22 ? 111 LEU B CD1 1 +ATOM 1803 C CD2 . LEU B 1 111 ? -64.483 -23.518 -102.068 1.00 19.25 ? 111 LEU B CD2 1 +ATOM 1804 N N . LEU B 1 112 ? -67.469 -23.587 -105.864 1.00 20.52 ? 112 LEU B N 1 +ATOM 1805 C CA . LEU B 1 112 ? -68.412 -22.491 -106.071 1.00 20.92 ? 112 LEU B CA 1 +ATOM 1806 C C . LEU B 1 112 ? -69.426 -22.646 -107.187 1.00 21.39 ? 112 LEU B C 1 +ATOM 1807 O O . LEU B 1 112 ? -70.226 -21.741 -107.422 1.00 22.70 ? 112 LEU B O 1 +ATOM 1808 C CB . LEU B 1 112 ? -67.626 -21.195 -106.276 1.00 20.21 ? 112 LEU B CB 1 +ATOM 1809 C CG . LEU B 1 112 ? -66.700 -20.906 -105.091 1.00 21.42 ? 112 LEU B CG 1 +ATOM 1810 C CD1 . LEU B 1 112 ? -65.685 -19.841 -105.453 1.00 22.77 ? 112 LEU B CD1 1 +ATOM 1811 C CD2 . LEU B 1 112 ? -67.536 -20.493 -103.894 1.00 19.70 ? 112 LEU B CD2 1 +ATOM 1812 N N . LYS B 1 113 ? -69.412 -23.778 -107.873 1.00 21.55 ? 113 LYS B N 1 +ATOM 1813 C CA . LYS B 1 113 ? -70.359 -23.983 -108.958 1.00 22.42 ? 113 LYS B CA 1 +ATOM 1814 C C . LYS B 1 113 ? -71.816 -23.872 -108.497 1.00 22.99 ? 113 LYS B C 1 +ATOM 1815 O O . LYS B 1 113 ? -72.166 -24.232 -107.368 1.00 23.45 ? 113 LYS B O 1 +ATOM 1816 C CB . LYS B 1 113 ? -70.140 -25.348 -109.600 1.00 22.93 ? 113 LYS B CB 1 +ATOM 1817 C CG . LYS B 1 113 ? -70.930 -25.514 -110.865 1.00 26.18 ? 113 LYS B CG 1 +ATOM 1818 C CD . LYS B 1 113 ? -70.816 -26.905 -111.429 1.00 29.42 ? 113 LYS B CD 1 +ATOM 1819 C CE . LYS B 1 113 ? -71.613 -26.996 -112.718 1.00 32.08 ? 113 LYS B CE 1 +ATOM 1820 N NZ . LYS B 1 113 ? -71.714 -28.391 -113.228 1.00 35.11 ? 113 LYS B NZ 1 +ATOM 1821 N N . ASP B 1 114 ? -72.664 -23.374 -109.388 1.00 24.26 ? 114 ASP B N 1 +ATOM 1822 C CA . ASP B 1 114 ? -74.087 -23.210 -109.109 1.00 25.59 ? 114 ASP B CA 1 +ATOM 1823 C C . ASP B 1 114 ? -74.772 -24.492 -108.665 1.00 25.49 ? 114 ASP B C 1 +ATOM 1824 O O . ASP B 1 114 ? -74.628 -25.538 -109.301 1.00 25.96 ? 114 ASP B O 1 +ATOM 1825 C CB . ASP B 1 114 ? -74.787 -22.695 -110.352 1.00 29.04 ? 114 ASP B CB 1 +ATOM 1826 C CG . ASP B 1 114 ? -75.394 -21.342 -110.144 1.00 34.12 ? 114 ASP B CG 1 +ATOM 1827 O OD1 . ASP B 1 114 ? -74.938 -20.628 -109.217 1.00 36.88 ? 114 ASP B OD1 1 +ATOM 1828 O OD2 . ASP B 1 114 ? -76.315 -20.990 -110.914 1.00 37.77 ? 114 ASP B OD2 1 +ATOM 1829 N N . GLY B 1 115 ? -75.524 -24.412 -107.573 1.00 24.90 ? 115 GLY B N 1 +ATOM 1830 C CA . GLY B 1 115 ? -76.229 -25.585 -107.094 1.00 23.84 ? 115 GLY B CA 1 +ATOM 1831 C C . GLY B 1 115 ? -75.512 -26.384 -106.021 1.00 24.26 ? 115 GLY B C 1 +ATOM 1832 O O . GLY B 1 115 ? -76.135 -27.222 -105.360 1.00 24.88 ? 115 GLY B O 1 +ATOM 1833 N N . ASN B 1 116 ? -74.211 -26.157 -105.845 1.00 22.76 ? 116 ASN B N 1 +ATOM 1834 C CA . ASN B 1 116 ? -73.485 -26.886 -104.818 1.00 20.28 ? 116 ASN B CA 1 +ATOM 1835 C C . ASN B 1 116 ? -73.793 -26.268 -103.463 1.00 20.19 ? 116 ASN B C 1 +ATOM 1836 O O . ASN B 1 116 ? -74.158 -25.097 -103.369 1.00 19.79 ? 116 ASN B O 1 +ATOM 1837 C CB . ASN B 1 116 ? -71.991 -26.894 -105.117 1.00 20.27 ? 116 ASN B CB 1 +ATOM 1838 C CG . ASN B 1 116 ? -71.646 -27.794 -106.290 1.00 21.98 ? 116 ASN B CG 1 +ATOM 1839 O OD1 . ASN B 1 116 ? -72.402 -28.710 -106.620 1.00 22.31 ? 116 ASN B OD1 1 +ATOM 1840 N ND2 . ASN B 1 116 ? -70.497 -27.556 -106.917 1.00 21.61 ? 116 ASN B ND2 1 +ATOM 1841 N N . PRO B 1 117 ? -73.646 -27.046 -102.385 1.00 20.33 ? 117 PRO B N 1 +ATOM 1842 C CA . PRO B 1 117 ? -73.942 -26.527 -101.047 1.00 18.96 ? 117 PRO B CA 1 +ATOM 1843 C C . PRO B 1 117 ? -73.420 -25.155 -100.623 1.00 18.36 ? 117 PRO B C 1 +ATOM 1844 O O . PRO B 1 117 ? -74.222 -24.270 -100.331 1.00 17.41 ? 117 PRO B O 1 +ATOM 1845 C CB . PRO B 1 117 ? -73.489 -27.665 -100.120 1.00 18.63 ? 117 PRO B CB 1 +ATOM 1846 C CG . PRO B 1 117 ? -72.498 -28.418 -100.934 1.00 19.04 ? 117 PRO B CG 1 +ATOM 1847 C CD . PRO B 1 117 ? -73.076 -28.402 -102.311 1.00 19.19 ? 117 PRO B CD 1 +ATOM 1848 N N . ILE B 1 118 ? -72.102 -24.962 -100.587 1.00 18.35 ? 118 ILE B N 1 +ATOM 1849 C CA . ILE B 1 118 ? -71.544 -23.680 -100.152 1.00 18.30 ? 118 ILE B CA 1 +ATOM 1850 C C . ILE B 1 118 ? -72.203 -22.455 -100.804 1.00 18.42 ? 118 ILE B C 1 +ATOM 1851 O O . ILE B 1 118 ? -72.713 -21.576 -100.105 1.00 18.19 ? 118 ILE B O 1 +ATOM 1852 C CB . ILE B 1 118 ? -70.032 -23.595 -100.411 1.00 18.53 ? 118 ILE B CB 1 +ATOM 1853 C CG1 . ILE B 1 118 ? -69.314 -24.808 -99.808 1.00 18.24 ? 118 ILE B CG1 1 +ATOM 1854 C CG2 . ILE B 1 118 ? -69.492 -22.301 -99.818 1.00 16.78 ? 118 ILE B CG2 1 +ATOM 1855 C CD1 . ILE B 1 118 ? -69.193 -24.765 -98.324 1.00 19.11 ? 118 ILE B CD1 1 +ATOM 1856 N N . PRO B 1 119 ? -72.197 -22.369 -102.147 1.00 17.57 ? 119 PRO B N 1 +ATOM 1857 C CA . PRO B 1 119 ? -72.838 -21.183 -102.720 1.00 17.06 ? 119 PRO B CA 1 +ATOM 1858 C C . PRO B 1 119 ? -74.337 -21.119 -102.465 1.00 17.76 ? 119 PRO B C 1 +ATOM 1859 O O . PRO B 1 119 ? -74.904 -20.038 -102.327 1.00 18.96 ? 119 PRO B O 1 +ATOM 1860 C CB . PRO B 1 119 ? -72.475 -21.260 -104.203 1.00 15.19 ? 119 PRO B CB 1 +ATOM 1861 C CG . PRO B 1 119 ? -72.222 -22.708 -104.439 1.00 16.33 ? 119 PRO B CG 1 +ATOM 1862 C CD . PRO B 1 119 ? -71.516 -23.162 -103.185 1.00 17.01 ? 119 PRO B CD 1 +ATOM 1863 N N . SER B 1 120 ? -74.988 -22.269 -102.382 1.00 18.66 ? 120 SER B N 1 +ATOM 1864 C CA . SER B 1 120 ? -76.421 -22.278 -102.121 1.00 20.39 ? 120 SER B CA 1 +ATOM 1865 C C . SER B 1 120 ? -76.726 -21.723 -100.730 1.00 21.20 ? 120 SER B C 1 +ATOM 1866 O O . SER B 1 120 ? -77.758 -21.097 -100.521 1.00 22.79 ? 120 SER B O 1 +ATOM 1867 C CB . SER B 1 120 ? -76.967 -23.698 -102.239 1.00 20.93 ? 120 SER B CB 1 +ATOM 1868 O OG . SER B 1 120 ? -76.719 -24.209 -103.537 1.00 24.70 ? 120 SER B OG 1 +ATOM 1869 N N . ALA B 1 121 ? -75.821 -21.955 -99.783 1.00 20.88 ? 121 ALA B N 1 +ATOM 1870 C CA . ALA B 1 121 ? -75.991 -21.478 -98.417 1.00 19.84 ? 121 ALA B CA 1 +ATOM 1871 C C . ALA B 1 121 ? -75.793 -19.968 -98.360 1.00 19.82 ? 121 ALA B C 1 +ATOM 1872 O O . ALA B 1 121 ? -76.630 -19.230 -97.845 1.00 20.37 ? 121 ALA B O 1 +ATOM 1873 C CB . ALA B 1 121 ? -74.986 -22.165 -97.506 1.00 18.93 ? 121 ALA B CB 1 +ATOM 1874 N N . ILE B 1 122 ? -74.668 -19.516 -98.894 1.00 19.80 ? 122 ILE B N 1 +ATOM 1875 C CA . ILE B 1 122 ? -74.331 -18.102 -98.907 1.00 18.81 ? 122 ILE B CA 1 +ATOM 1876 C C . ILE B 1 122 ? -75.463 -17.282 -99.522 1.00 20.32 ? 122 ILE B C 1 +ATOM 1877 O O . ILE B 1 122 ? -75.909 -16.286 -98.944 1.00 20.59 ? 122 ILE B O 1 +ATOM 1878 C CB . ILE B 1 122 ? -73.024 -17.877 -99.710 1.00 16.24 ? 122 ILE B CB 1 +ATOM 1879 C CG1 . ILE B 1 122 ? -71.875 -18.635 -99.033 1.00 13.93 ? 122 ILE B CG1 1 +ATOM 1880 C CG2 . ILE B 1 122 ? -72.716 -16.393 -99.830 1.00 12.33 ? 122 ILE B CG2 1 +ATOM 1881 C CD1 . ILE B 1 122 ? -70.572 -18.586 -99.783 1.00 13.95 ? 122 ILE B CD1 1 +ATOM 1882 N N . ALA B 1 123 ? -75.932 -17.726 -100.689 1.00 20.44 ? 123 ALA B N 1 +ATOM 1883 C CA . ALA B 1 123 ? -76.989 -17.036 -101.426 1.00 20.36 ? 123 ALA B CA 1 +ATOM 1884 C C . ALA B 1 123 ? -78.331 -16.984 -100.708 1.00 21.02 ? 123 ALA B C 1 +ATOM 1885 O O . ALA B 1 123 ? -79.121 -16.072 -100.934 1.00 23.91 ? 123 ALA B O 1 +ATOM 1886 C CB . ALA B 1 123 ? -77.164 -17.681 -102.793 1.00 18.45 ? 123 ALA B CB 1 +ATOM 1887 N N . ALA B 1 124 ? -78.594 -17.962 -99.853 1.00 20.13 ? 124 ALA B N 1 +ATOM 1888 C CA . ALA B 1 124 ? -79.854 -18.012 -99.126 1.00 19.18 ? 124 ALA B CA 1 +ATOM 1889 C C . ALA B 1 124 ? -79.692 -17.523 -97.691 1.00 20.47 ? 124 ALA B C 1 +ATOM 1890 O O . ALA B 1 124 ? -80.499 -17.855 -96.829 1.00 21.47 ? 124 ALA B O 1 +ATOM 1891 C CB . ALA B 1 124 ? -80.394 -19.432 -99.131 1.00 16.63 ? 124 ALA B CB 1 +ATOM 1892 N N . ASN B 1 125 ? -78.651 -16.734 -97.438 1.00 20.63 ? 125 ASN B N 1 +ATOM 1893 C CA . ASN B 1 125 ? -78.396 -16.214 -96.099 1.00 21.07 ? 125 ASN B CA 1 +ATOM 1894 C C . ASN B 1 125 ? -78.428 -17.315 -95.048 1.00 21.48 ? 125 ASN B C 1 +ATOM 1895 O O . ASN B 1 125 ? -78.848 -17.064 -93.923 1.00 21.63 ? 125 ASN B O 1 +ATOM 1896 C CB . ASN B 1 125 ? -79.437 -15.156 -95.725 1.00 20.63 ? 125 ASN B CB 1 +ATOM 1897 C CG . ASN B 1 125 ? -78.940 -13.742 -95.944 1.00 21.91 ? 125 ASN B CG 1 +ATOM 1898 O OD1 . ASN B 1 125 ? -77.860 -13.372 -95.480 1.00 23.24 ? 125 ASN B OD1 1 +ATOM 1899 N ND2 . ASN B 1 125 ? -79.733 -12.939 -96.641 1.00 21.65 ? 125 ASN B ND2 1 +ATOM 1900 N N . SER B 1 126 ? -77.973 -18.514 -95.402 1.00 21.65 ? 126 SER B N 1 +ATOM 1901 C CA . SER B 1 126 ? -77.994 -19.648 -94.472 1.00 22.43 ? 126 SER B CA 1 +ATOM 1902 C C . SER B 1 126 ? -76.661 -20.308 -94.154 1.00 22.34 ? 126 SER B C 1 +ATOM 1903 O O . SER B 1 126 ? -75.599 -19.906 -94.632 1.00 22.72 ? 126 SER B O 1 +ATOM 1904 C CB . SER B 1 126 ? -78.915 -20.740 -95.005 1.00 23.15 ? 126 SER B CB 1 +ATOM 1905 O OG . SER B 1 126 ? -80.193 -20.221 -95.305 1.00 27.02 ? 126 SER B OG 1 +ATOM 1906 N N . GLY B 1 127 ? -76.751 -21.343 -93.325 1.00 21.71 ? 127 GLY B N 1 +ATOM 1907 C CA . GLY B 1 127 ? -75.590 -22.123 -92.950 1.00 22.96 ? 127 GLY B CA 1 +ATOM 1908 C C . GLY B 1 127 ? -75.831 -23.504 -93.541 1.00 24.60 ? 127 GLY B C 1 +ATOM 1909 O O . GLY B 1 127 ? -76.638 -23.654 -94.472 1.00 24.24 ? 127 GLY B O 1 +ATOM 1910 N N . ILE B 1 128 ? -75.145 -24.516 -93.024 1.00 24.78 ? 128 ILE B N 1 +ATOM 1911 C CA . ILE B 1 128 ? -75.339 -25.874 -93.525 1.00 24.86 ? 128 ILE B CA 1 +ATOM 1912 C C . ILE B 1 128 ? -76.338 -26.569 -92.605 1.00 25.18 ? 128 ILE B C 1 +ATOM 1913 O O . ILE B 1 128 ? -76.306 -26.367 -91.390 1.00 25.62 ? 128 ILE B O 1 +ATOM 1914 C CB . ILE B 1 128 ? -74.017 -26.651 -93.531 1.00 24.48 ? 128 ILE B CB 1 +ATOM 1915 C CG1 . ILE B 1 128 ? -72.984 -25.900 -94.379 1.00 23.96 ? 128 ILE B CG1 1 +ATOM 1916 C CG2 . ILE B 1 128 ? -74.244 -28.056 -94.059 1.00 22.73 ? 128 ILE B CG2 1 +ATOM 1917 C CD1 . ILE B 1 128 ? -73.368 -25.749 -95.825 1.00 24.82 ? 128 ILE B CD1 1 +ATOM 1918 N N . TYR B 1 129 ? -77.224 -27.380 -93.176 1.00 25.52 ? 129 TYR B N 1 +ATOM 1919 C CA . TYR B 1 129 ? -78.240 -28.079 -92.391 1.00 26.67 ? 129 TYR B CA 1 +ATOM 1920 C C . TYR B 1 129 ? -78.769 -29.316 -93.115 1.00 27.89 ? 129 TYR B C 1 +ATOM 1921 O O . TYR B 1 129 ? -79.314 -30.193 -92.409 1.00 28.86 ? 129 TYR B O 1 +ATOM 1922 C CB . TYR B 1 129 ? -79.399 -27.132 -92.069 1.00 26.13 ? 129 TYR B CB 1 +ATOM 1923 C CG . TYR B 1 129 ? -80.118 -26.627 -93.300 1.00 26.43 ? 129 TYR B CG 1 +ATOM 1924 C CD1 . TYR B 1 129 ? -81.159 -27.356 -93.874 1.00 26.52 ? 129 TYR B CD1 1 +ATOM 1925 C CD2 . TYR B 1 129 ? -79.724 -25.441 -93.922 1.00 26.01 ? 129 TYR B CD2 1 +ATOM 1926 C CE1 . TYR B 1 129 ? -81.789 -26.920 -95.040 1.00 26.59 ? 129 TYR B CE1 1 +ATOM 1927 C CE2 . TYR B 1 129 ? -80.344 -24.995 -95.085 1.00 26.68 ? 129 TYR B CE2 1 +ATOM 1928 C CZ . TYR B 1 129 ? -81.375 -25.739 -95.641 1.00 27.67 ? 129 TYR B CZ 1 +ATOM 1929 O OH . TYR B 1 129 ? -81.985 -25.305 -96.798 1.00 29.21 ? 129 TYR B OH 1 +ATOM 1930 O OXT . TYR B 1 129 ? -78.650 -29.388 -94.365 1.00 28.34 ? 129 TYR B OXT 1 +ATOM 1931 N N . ALA C 1 1 ? -112.927 -59.543 -21.699 1.00 47.61 ? 1 ALA C N 1 +ATOM 1932 C CA . ALA C 1 1 ? -112.468 -59.088 -23.049 1.00 47.46 ? 1 ALA C CA 1 +ATOM 1933 C C . ALA C 1 1 ? -110.939 -59.038 -23.123 1.00 46.18 ? 1 ALA C C 1 +ATOM 1934 O O . ALA C 1 1 ? -110.287 -58.414 -22.272 1.00 46.99 ? 1 ALA C O 1 +ATOM 1935 C CB . ALA C 1 1 ? -113.056 -57.704 -23.366 1.00 47.78 ? 1 ALA C CB 1 +ATOM 1936 N N . SER C 1 2 ? -110.370 -59.687 -24.141 1.00 42.42 ? 2 SER C N 1 +ATOM 1937 C CA . SER C 1 2 ? -108.923 -59.704 -24.293 1.00 38.65 ? 2 SER C CA 1 +ATOM 1938 C C . SER C 1 2 ? -108.484 -60.037 -25.706 1.00 36.32 ? 2 SER C C 1 +ATOM 1939 O O . SER C 1 2 ? -109.088 -60.874 -26.368 1.00 36.99 ? 2 SER C O 1 +ATOM 1940 C CB . SER C 1 2 ? -108.321 -60.713 -23.318 1.00 38.01 ? 2 SER C CB 1 +ATOM 1941 O OG . SER C 1 2 ? -106.911 -60.651 -23.322 1.00 38.39 ? 2 SER C OG 1 +ATOM 1942 N N . ASN C 1 3 ? -107.441 -59.358 -26.179 1.00 33.02 ? 3 ASN C N 1 +ATOM 1943 C CA . ASN C 1 3 ? -106.914 -59.636 -27.506 1.00 30.39 ? 3 ASN C CA 1 +ATOM 1944 C C . ASN C 1 3 ? -105.530 -60.280 -27.375 1.00 29.51 ? 3 ASN C C 1 +ATOM 1945 O O . ASN C 1 3 ? -104.846 -60.525 -28.374 1.00 28.83 ? 3 ASN C O 1 +ATOM 1946 C CB . ASN C 1 3 ? -106.844 -58.371 -28.367 1.00 29.90 ? 3 ASN C CB 1 +ATOM 1947 C CG . ASN C 1 3 ? -105.884 -57.353 -27.828 1.00 30.84 ? 3 ASN C CG 1 +ATOM 1948 O OD1 . ASN C 1 3 ? -105.125 -57.627 -26.901 1.00 34.25 ? 3 ASN C OD1 1 +ATOM 1949 N ND2 . ASN C 1 3 ? -105.901 -56.161 -28.411 1.00 31.45 ? 3 ASN C ND2 1 +ATOM 1950 N N . PHE C 1 4 ? -105.116 -60.535 -26.135 1.00 28.26 ? 4 PHE C N 1 +ATOM 1951 C CA . PHE C 1 4 ? -103.844 -61.205 -25.898 1.00 27.81 ? 4 PHE C CA 1 +ATOM 1952 C C . PHE C 1 4 ? -104.198 -62.678 -25.876 1.00 27.31 ? 4 PHE C C 1 +ATOM 1953 O O . PHE C 1 4 ? -104.218 -63.323 -24.826 1.00 27.03 ? 4 PHE C O 1 +ATOM 1954 C CB . PHE C 1 4 ? -103.216 -60.811 -24.562 1.00 27.48 ? 4 PHE C CB 1 +ATOM 1955 C CG . PHE C 1 4 ? -101.812 -61.351 -24.368 1.00 29.67 ? 4 PHE C CG 1 +ATOM 1956 C CD1 . PHE C 1 4 ? -100.903 -61.362 -25.431 1.00 30.17 ? 4 PHE C CD1 1 +ATOM 1957 C CD2 . PHE C 1 4 ? -101.383 -61.801 -23.117 1.00 30.27 ? 4 PHE C CD2 1 +ATOM 1958 C CE1 . PHE C 1 4 ? -99.589 -61.802 -25.252 1.00 30.77 ? 4 PHE C CE1 1 +ATOM 1959 C CE2 . PHE C 1 4 ? -100.069 -62.243 -22.924 1.00 31.11 ? 4 PHE C CE2 1 +ATOM 1960 C CZ . PHE C 1 4 ? -99.168 -62.244 -23.998 1.00 31.50 ? 4 PHE C CZ 1 +ATOM 1961 N N . THR C 1 5 ? -104.498 -63.198 -27.057 1.00 26.80 ? 5 THR C N 1 +ATOM 1962 C CA . THR C 1 5 ? -104.882 -64.585 -27.196 1.00 26.69 ? 5 THR C CA 1 +ATOM 1963 C C . THR C 1 5 ? -104.157 -65.304 -28.313 1.00 26.26 ? 5 THR C C 1 +ATOM 1964 O O . THR C 1 5 ? -103.366 -64.728 -29.058 1.00 26.59 ? 5 THR C O 1 +ATOM 1965 C CB . THR C 1 5 ? -106.391 -64.702 -27.456 1.00 26.66 ? 5 THR C CB 1 +ATOM 1966 O OG1 . THR C 1 5 ? -106.740 -63.907 -28.595 1.00 25.40 ? 5 THR C OG1 1 +ATOM 1967 C CG2 . THR C 1 5 ? -107.172 -64.215 -26.249 1.00 29.02 ? 5 THR C CG2 1 +ATOM 1968 N N . GLN C 1 6 ? -104.453 -66.587 -28.412 1.00 25.85 ? 6 GLN C N 1 +ATOM 1969 C CA . GLN C 1 6 ? -103.876 -67.447 -29.416 1.00 25.86 ? 6 GLN C CA 1 +ATOM 1970 C C . GLN C 1 6 ? -104.449 -67.066 -30.778 1.00 25.21 ? 6 GLN C C 1 +ATOM 1971 O O . GLN C 1 6 ? -105.547 -66.515 -30.863 1.00 26.33 ? 6 GLN C O 1 +ATOM 1972 C CB . GLN C 1 6 ? -104.231 -68.881 -29.054 1.00 27.12 ? 6 GLN C CB 1 +ATOM 1973 C CG . GLN C 1 6 ? -103.771 -69.910 -30.026 1.00 33.03 ? 6 GLN C CG 1 +ATOM 1974 C CD . GLN C 1 6 ? -103.970 -71.308 -29.486 1.00 36.02 ? 6 GLN C CD 1 +ATOM 1975 O OE1 . GLN C 1 6 ? -105.077 -71.683 -29.100 1.00 35.75 ? 6 GLN C OE1 1 +ATOM 1976 N NE2 . GLN C 1 6 ? -102.893 -72.089 -29.452 1.00 39.20 ? 6 GLN C NE2 1 +ATOM 1977 N N . PHE C 1 7 ? -103.700 -67.328 -31.844 1.00 23.95 ? 7 PHE C N 1 +ATOM 1978 C CA . PHE C 1 7 ? -104.180 -67.023 -33.184 1.00 22.41 ? 7 PHE C CA 1 +ATOM 1979 C C . PHE C 1 7 ? -103.307 -67.703 -34.225 1.00 22.15 ? 7 PHE C C 1 +ATOM 1980 O O . PHE C 1 7 ? -102.186 -68.129 -33.924 1.00 22.29 ? 7 PHE C O 1 +ATOM 1981 C CB . PHE C 1 7 ? -104.242 -65.501 -33.405 1.00 22.67 ? 7 PHE C CB 1 +ATOM 1982 C CG . PHE C 1 7 ? -102.899 -64.828 -33.583 1.00 22.54 ? 7 PHE C CG 1 +ATOM 1983 C CD1 . PHE C 1 7 ? -102.280 -64.781 -34.833 1.00 21.82 ? 7 PHE C CD1 1 +ATOM 1984 C CD2 . PHE C 1 7 ? -102.288 -64.171 -32.514 1.00 21.95 ? 7 PHE C CD2 1 +ATOM 1985 C CE1 . PHE C 1 7 ? -101.081 -64.084 -35.016 1.00 20.94 ? 7 PHE C CE1 1 +ATOM 1986 C CE2 . PHE C 1 7 ? -101.082 -63.469 -32.692 1.00 21.40 ? 7 PHE C CE2 1 +ATOM 1987 C CZ . PHE C 1 7 ? -100.482 -63.427 -33.946 1.00 20.18 ? 7 PHE C CZ 1 +ATOM 1988 N N . VAL C 1 8 ? -103.829 -67.816 -35.441 1.00 21.12 ? 8 VAL C N 1 +ATOM 1989 C CA . VAL C 1 8 ? -103.097 -68.469 -36.517 1.00 21.30 ? 8 VAL C CA 1 +ATOM 1990 C C . VAL C 1 8 ? -102.159 -67.521 -37.245 1.00 22.51 ? 8 VAL C C 1 +ATOM 1991 O O . VAL C 1 8 ? -102.606 -66.559 -37.879 1.00 24.44 ? 8 VAL C O 1 +ATOM 1992 C CB . VAL C 1 8 ? -104.065 -69.074 -37.549 1.00 20.14 ? 8 VAL C CB 1 +ATOM 1993 C CG1 . VAL C 1 8 ? -103.289 -69.718 -38.683 1.00 20.77 ? 8 VAL C CG1 1 +ATOM 1994 C CG2 . VAL C 1 8 ? -104.945 -70.092 -36.880 1.00 18.00 ? 8 VAL C CG2 1 +ATOM 1995 N N . LEU C 1 9 ? -100.861 -67.796 -37.168 1.00 22.61 ? 9 LEU C N 1 +ATOM 1996 C CA . LEU C 1 9 ? -99.877 -66.962 -37.845 1.00 23.42 ? 9 LEU C CA 1 +ATOM 1997 C C . LEU C 1 9 ? -99.761 -67.404 -39.298 1.00 25.16 ? 9 LEU C C 1 +ATOM 1998 O O . LEU C 1 9 ? -99.795 -66.579 -40.208 1.00 25.48 ? 9 LEU C O 1 +ATOM 1999 C CB . LEU C 1 9 ? -98.517 -67.076 -37.165 1.00 21.44 ? 9 LEU C CB 1 +ATOM 2000 C CG . LEU C 1 9 ? -97.433 -66.158 -37.727 1.00 20.83 ? 9 LEU C CG 1 +ATOM 2001 C CD1 . LEU C 1 9 ? -97.851 -64.706 -37.549 1.00 19.43 ? 9 LEU C CD1 1 +ATOM 2002 C CD2 . LEU C 1 9 ? -96.119 -66.428 -37.014 1.00 19.35 ? 9 LEU C CD2 1 +ATOM 2003 N N . VAL C 1 10 ? -99.618 -68.707 -39.510 1.00 27.05 ? 10 VAL C N 1 +ATOM 2004 C CA . VAL C 1 10 ? -99.513 -69.238 -40.864 1.00 30.07 ? 10 VAL C CA 1 +ATOM 2005 C C . VAL C 1 10 ? -100.716 -70.123 -41.137 1.00 33.00 ? 10 VAL C C 1 +ATOM 2006 O O . VAL C 1 10 ? -100.956 -71.108 -40.437 1.00 33.06 ? 10 VAL C O 1 +ATOM 2007 C CB . VAL C 1 10 ? -98.222 -70.076 -41.063 1.00 28.94 ? 10 VAL C CB 1 +ATOM 2008 C CG1 . VAL C 1 10 ? -98.192 -70.653 -42.469 1.00 26.20 ? 10 VAL C CG1 1 +ATOM 2009 C CG2 . VAL C 1 10 ? -96.992 -69.214 -40.827 1.00 27.39 ? 10 VAL C CG2 1 +ATOM 2010 N N . ASP C 1 11 ? -101.475 -69.762 -42.163 1.00 36.79 ? 11 ASP C N 1 +ATOM 2011 C CA . ASP C 1 11 ? -102.663 -70.510 -42.527 1.00 41.16 ? 11 ASP C CA 1 +ATOM 2012 C C . ASP C 1 11 ? -102.386 -71.450 -43.695 1.00 44.66 ? 11 ASP C C 1 +ATOM 2013 O O . ASP C 1 11 ? -102.209 -71.012 -44.837 1.00 45.16 ? 11 ASP C O 1 +ATOM 2014 C CB . ASP C 1 11 ? -103.783 -69.535 -42.886 1.00 42.40 ? 11 ASP C CB 1 +ATOM 2015 C CG . ASP C 1 11 ? -105.097 -70.231 -43.176 1.00 45.40 ? 11 ASP C CG 1 +ATOM 2016 O OD1 . ASP C 1 11 ? -105.097 -71.479 -43.277 1.00 47.03 ? 11 ASP C OD1 1 +ATOM 2017 O OD2 . ASP C 1 11 ? -106.127 -69.526 -43.309 1.00 46.50 ? 11 ASP C OD2 1 +ATOM 2018 N N . ASN C 1 12 ? -102.336 -72.746 -43.401 1.00 48.88 ? 12 ASN C N 1 +ATOM 2019 C CA . ASN C 1 12 ? -102.100 -73.756 -44.428 1.00 53.40 ? 12 ASN C CA 1 +ATOM 2020 C C . ASN C 1 12 ? -103.348 -74.616 -44.589 1.00 56.17 ? 12 ASN C C 1 +ATOM 2021 O O . ASN C 1 12 ? -103.283 -75.843 -44.568 1.00 57.47 ? 12 ASN C O 1 +ATOM 2022 C CB . ASN C 1 12 ? -100.916 -74.641 -44.051 1.00 54.55 ? 12 ASN C CB 1 +ATOM 2023 C CG . ASN C 1 12 ? -99.591 -73.935 -44.218 1.00 57.42 ? 12 ASN C CG 1 +ATOM 2024 O OD1 . ASN C 1 12 ? -99.353 -73.282 -45.239 1.00 58.63 ? 12 ASN C OD1 1 +ATOM 2025 N ND2 . ASN C 1 12 ? -98.710 -74.069 -43.225 1.00 58.13 ? 12 ASN C ND2 1 +ATOM 2026 N N . GLY C 1 13 ? -104.489 -73.960 -44.750 1.00 58.21 ? 13 GLY C N 1 +ATOM 2027 C CA . GLY C 1 13 ? -105.737 -74.683 -44.901 1.00 61.35 ? 13 GLY C CA 1 +ATOM 2028 C C . GLY C 1 13 ? -106.364 -74.941 -43.548 1.00 63.58 ? 13 GLY C C 1 +ATOM 2029 O O . GLY C 1 13 ? -107.273 -74.229 -43.118 1.00 65.33 ? 13 GLY C O 1 +ATOM 2030 N N . GLY C 1 14 ? -105.871 -75.964 -42.865 1.00 64.29 ? 14 GLY C N 1 +ATOM 2031 C CA . GLY C 1 14 ? -106.384 -76.308 -41.550 1.00 64.92 ? 14 GLY C CA 1 +ATOM 2032 C C . GLY C 1 14 ? -105.510 -77.420 -41.017 1.00 65.53 ? 14 GLY C C 1 +ATOM 2033 O O . GLY C 1 14 ? -105.753 -77.990 -39.950 1.00 65.94 ? 14 GLY C O 1 +ATOM 2034 N N . THR C 1 15 ? -104.476 -77.720 -41.794 1.00 64.68 ? 15 THR C N 1 +ATOM 2035 C CA . THR C 1 15 ? -103.522 -78.764 -41.464 1.00 63.85 ? 15 THR C CA 1 +ATOM 2036 C C . THR C 1 15 ? -102.110 -78.245 -41.742 1.00 62.45 ? 15 THR C C 1 +ATOM 2037 O O . THR C 1 15 ? -101.732 -77.987 -42.892 1.00 62.64 ? 15 THR C O 1 +ATOM 2038 C CB . THR C 1 15 ? -103.787 -80.022 -42.313 1.00 65.16 ? 15 THR C CB 1 +ATOM 2039 O OG1 . THR C 1 15 ? -103.735 -79.678 -43.707 1.00 66.21 ? 15 THR C OG1 1 +ATOM 2040 C CG2 . THR C 1 15 ? -105.167 -80.607 -41.985 1.00 64.81 ? 15 THR C CG2 1 +ATOM 2041 N N . GLY C 1 16 ? -101.334 -78.094 -40.676 1.00 59.73 ? 16 GLY C N 1 +ATOM 2042 C CA . GLY C 1 16 ? -99.986 -77.579 -40.817 1.00 55.01 ? 16 GLY C CA 1 +ATOM 2043 C C . GLY C 1 16 ? -100.025 -76.097 -40.500 1.00 51.65 ? 16 GLY C C 1 +ATOM 2044 O O . GLY C 1 16 ? -99.050 -75.375 -40.723 1.00 51.75 ? 16 GLY C O 1 +ATOM 2045 N N . ASP C 1 17 ? -101.175 -75.647 -39.995 1.00 47.15 ? 17 ASP C N 1 +ATOM 2046 C CA . ASP C 1 17 ? -101.362 -74.252 -39.624 1.00 42.42 ? 17 ASP C CA 1 +ATOM 2047 C C . ASP C 1 17 ? -100.435 -73.961 -38.465 1.00 38.77 ? 17 ASP C C 1 +ATOM 2048 O O . ASP C 1 17 ? -100.311 -74.774 -37.553 1.00 38.87 ? 17 ASP C O 1 +ATOM 2049 C CB . ASP C 1 17 ? -102.798 -73.988 -39.161 1.00 43.07 ? 17 ASP C CB 1 +ATOM 2050 C CG . ASP C 1 17 ? -103.798 -74.058 -40.290 1.00 43.85 ? 17 ASP C CG 1 +ATOM 2051 O OD1 . ASP C 1 17 ? -103.375 -74.327 -41.439 1.00 43.85 ? 17 ASP C OD1 1 +ATOM 2052 O OD2 . ASP C 1 17 ? -105.004 -73.841 -40.025 1.00 43.67 ? 17 ASP C OD2 1 +ATOM 2053 N N . VAL C 1 18 ? -99.773 -72.812 -38.499 1.00 34.53 ? 18 VAL C N 1 +ATOM 2054 C CA . VAL C 1 18 ? -98.894 -72.455 -37.402 1.00 29.72 ? 18 VAL C CA 1 +ATOM 2055 C C . VAL C 1 18 ? -99.674 -71.545 -36.471 1.00 28.04 ? 18 VAL C C 1 +ATOM 2056 O O . VAL C 1 18 ? -100.239 -70.533 -36.887 1.00 26.84 ? 18 VAL C O 1 +ATOM 2057 C CB . VAL C 1 18 ? -97.638 -71.729 -37.887 1.00 27.73 ? 18 VAL C CB 1 +ATOM 2058 C CG1 . VAL C 1 18 ? -96.761 -71.361 -36.696 1.00 25.78 ? 18 VAL C CG1 1 +ATOM 2059 C CG2 . VAL C 1 18 ? -96.885 -72.611 -38.846 1.00 25.50 ? 18 VAL C CG2 1 +ATOM 2060 N N . THR C 1 19 ? -99.720 -71.927 -35.206 1.00 26.55 ? 19 THR C N 1 +ATOM 2061 C CA . THR C 1 19 ? -100.435 -71.153 -34.221 1.00 25.57 ? 19 THR C CA 1 +ATOM 2062 C C . THR C 1 19 ? -99.500 -70.662 -33.139 1.00 25.22 ? 19 THR C C 1 +ATOM 2063 O O . THR C 1 19 ? -98.694 -71.430 -32.602 1.00 26.95 ? 19 THR C O 1 +ATOM 2064 C CB . THR C 1 19 ? -101.530 -71.992 -33.560 1.00 25.47 ? 19 THR C CB 1 +ATOM 2065 O OG1 . THR C 1 19 ? -102.502 -72.354 -34.544 1.00 26.65 ? 19 THR C OG1 1 +ATOM 2066 C CG2 . THR C 1 19 ? -102.213 -71.210 -32.461 1.00 24.99 ? 19 THR C CG2 1 +ATOM 2067 N N . VAL C 1 20 ? -99.601 -69.377 -32.825 1.00 23.42 ? 20 VAL C N 1 +ATOM 2068 C CA . VAL C 1 20 ? -98.787 -68.811 -31.768 1.00 22.79 ? 20 VAL C CA 1 +ATOM 2069 C C . VAL C 1 20 ? -99.727 -68.590 -30.580 1.00 21.96 ? 20 VAL C C 1 +ATOM 2070 O O . VAL C 1 20 ? -100.903 -68.265 -30.767 1.00 21.23 ? 20 VAL C O 1 +ATOM 2071 C CB . VAL C 1 20 ? -98.130 -67.485 -32.212 1.00 22.54 ? 20 VAL C CB 1 +ATOM 2072 C CG1 . VAL C 1 20 ? -97.107 -67.759 -33.298 1.00 21.02 ? 20 VAL C CG1 1 +ATOM 2073 C CG2 . VAL C 1 20 ? -99.183 -66.529 -32.730 1.00 23.35 ? 20 VAL C CG2 1 +ATOM 2074 N N . ALA C 1 21 ? -99.215 -68.799 -29.369 1.00 21.15 ? 21 ALA C N 1 +ATOM 2075 C CA . ALA C 1 21 ? -100.006 -68.633 -28.160 1.00 20.82 ? 21 ALA C CA 1 +ATOM 2076 C C . ALA C 1 21 ? -99.313 -67.661 -27.225 1.00 21.26 ? 21 ALA C C 1 +ATOM 2077 O O . ALA C 1 21 ? -98.083 -67.614 -27.171 1.00 22.05 ? 21 ALA C O 1 +ATOM 2078 C CB . ALA C 1 21 ? -100.179 -69.967 -27.467 1.00 20.92 ? 21 ALA C CB 1 +ATOM 2079 N N . PRO C 1 22 ? -100.090 -66.867 -26.468 1.00 21.04 ? 22 PRO C N 1 +ATOM 2080 C CA . PRO C 1 22 ? -99.469 -65.912 -25.546 1.00 21.16 ? 22 PRO C CA 1 +ATOM 2081 C C . PRO C 1 22 ? -98.437 -66.609 -24.672 1.00 22.28 ? 22 PRO C C 1 +ATOM 2082 O O . PRO C 1 22 ? -98.617 -67.765 -24.304 1.00 24.73 ? 22 PRO C O 1 +ATOM 2083 C CB . PRO C 1 22 ? -100.651 -65.406 -24.734 1.00 19.53 ? 22 PRO C CB 1 +ATOM 2084 C CG . PRO C 1 22 ? -101.768 -65.454 -25.720 1.00 21.11 ? 22 PRO C CG 1 +ATOM 2085 C CD . PRO C 1 22 ? -101.557 -66.785 -26.400 1.00 20.80 ? 22 PRO C CD 1 +ATOM 2086 N N . SER C 1 23 ? -97.349 -65.923 -24.346 1.00 22.92 ? 23 SER C N 1 +ATOM 2087 C CA . SER C 1 23 ? -96.347 -66.530 -23.490 1.00 23.26 ? 23 SER C CA 1 +ATOM 2088 C C . SER C 1 23 ? -95.874 -65.575 -22.404 1.00 24.10 ? 23 SER C C 1 +ATOM 2089 O O . SER C 1 23 ? -95.553 -66.000 -21.298 1.00 26.06 ? 23 SER C O 1 +ATOM 2090 C CB . SER C 1 23 ? -95.145 -66.997 -24.307 1.00 22.71 ? 23 SER C CB 1 +ATOM 2091 O OG . SER C 1 23 ? -94.158 -65.986 -24.386 1.00 22.05 ? 23 SER C OG 1 +ATOM 2092 N N . ASN C 1 24 ? -95.845 -64.283 -22.696 1.00 24.79 ? 24 ASN C N 1 +ATOM 2093 C CA . ASN C 1 24 ? -95.368 -63.348 -21.701 1.00 26.13 ? 24 ASN C CA 1 +ATOM 2094 C C . ASN C 1 24 ? -95.708 -61.905 -22.069 1.00 26.98 ? 24 ASN C C 1 +ATOM 2095 O O . ASN C 1 24 ? -95.741 -61.549 -23.244 1.00 27.76 ? 24 ASN C O 1 +ATOM 2096 C CB . ASN C 1 24 ? -93.864 -63.565 -21.555 1.00 28.03 ? 24 ASN C CB 1 +ATOM 2097 C CG . ASN C 1 24 ? -93.173 -62.420 -20.898 1.00 33.16 ? 24 ASN C CG 1 +ATOM 2098 O OD1 . ASN C 1 24 ? -92.900 -61.402 -21.535 1.00 35.80 ? 24 ASN C OD1 1 +ATOM 2099 N ND2 . ASN C 1 24 ? -92.882 -62.564 -19.606 1.00 36.00 ? 24 ASN C ND2 1 +ATOM 2100 N N . PHE C 1 25 ? -95.980 -61.080 -21.062 1.00 27.30 ? 25 PHE C N 1 +ATOM 2101 C CA . PHE C 1 25 ? -96.339 -59.685 -21.289 1.00 27.79 ? 25 PHE C CA 1 +ATOM 2102 C C . PHE C 1 25 ? -95.628 -58.765 -20.299 1.00 29.78 ? 25 PHE C C 1 +ATOM 2103 O O . PHE C 1 25 ? -96.254 -57.913 -19.671 1.00 32.42 ? 25 PHE C O 1 +ATOM 2104 C CB . PHE C 1 25 ? -97.858 -59.520 -21.154 1.00 26.50 ? 25 PHE C CB 1 +ATOM 2105 C CG . PHE C 1 25 ? -98.402 -58.236 -21.739 1.00 25.93 ? 25 PHE C CG 1 +ATOM 2106 C CD1 . PHE C 1 25 ? -97.557 -57.260 -22.260 1.00 25.41 ? 25 PHE C CD1 1 +ATOM 2107 C CD2 . PHE C 1 25 ? -99.777 -58.023 -21.798 1.00 25.92 ? 25 PHE C CD2 1 +ATOM 2108 C CE1 . PHE C 1 25 ? -98.073 -56.096 -22.834 1.00 25.20 ? 25 PHE C CE1 1 +ATOM 2109 C CE2 . PHE C 1 25 ? -100.305 -56.861 -22.369 1.00 26.20 ? 25 PHE C CE2 1 +ATOM 2110 C CZ . PHE C 1 25 ? -99.451 -55.899 -22.888 1.00 26.37 ? 25 PHE C CZ 1 +ATOM 2111 N N . ALA C 1 26 ? -94.319 -58.932 -20.164 1.00 30.40 ? 26 ALA C N 1 +ATOM 2112 C CA . ALA C 1 26 ? -93.539 -58.109 -19.250 1.00 31.44 ? 26 ALA C CA 1 +ATOM 2113 C C . ALA C 1 26 ? -93.049 -56.822 -19.912 1.00 32.86 ? 26 ALA C C 1 +ATOM 2114 O O . ALA C 1 26 ? -92.718 -56.805 -21.100 1.00 33.27 ? 26 ALA C O 1 +ATOM 2115 C CB . ALA C 1 26 ? -92.357 -58.903 -18.736 1.00 30.63 ? 26 ALA C CB 1 +ATOM 2116 N N . ASN C 1 27 ? -93.012 -55.748 -19.129 1.00 34.38 ? 27 ASN C N 1 +ATOM 2117 C CA . ASN C 1 27 ? -92.554 -54.443 -19.608 1.00 34.59 ? 27 ASN C CA 1 +ATOM 2118 C C . ASN C 1 27 ? -93.281 -53.922 -20.840 1.00 32.88 ? 27 ASN C C 1 +ATOM 2119 O O . ASN C 1 27 ? -92.656 -53.405 -21.763 1.00 33.30 ? 27 ASN C O 1 +ATOM 2120 C CB . ASN C 1 27 ? -91.059 -54.498 -19.899 1.00 37.17 ? 27 ASN C CB 1 +ATOM 2121 C CG . ASN C 1 27 ? -90.248 -54.890 -18.682 1.00 41.59 ? 27 ASN C CG 1 +ATOM 2122 O OD1 . ASN C 1 27 ? -89.423 -55.811 -18.740 1.00 44.07 ? 27 ASN C OD1 1 +ATOM 2123 N ND2 . ASN C 1 27 ? -90.473 -54.192 -17.566 1.00 42.15 ? 27 ASN C ND2 1 +ATOM 2124 N N . GLY C 1 28 ? -94.598 -54.063 -20.857 1.00 30.55 ? 28 GLY C N 1 +ATOM 2125 C CA . GLY C 1 28 ? -95.359 -53.574 -21.990 1.00 27.02 ? 28 GLY C CA 1 +ATOM 2126 C C . GLY C 1 28 ? -95.075 -54.239 -23.321 1.00 25.15 ? 28 GLY C C 1 +ATOM 2127 O O . GLY C 1 28 ? -95.475 -53.715 -24.356 1.00 25.06 ? 28 GLY C O 1 +ATOM 2128 N N . VAL C 1 29 ? -94.389 -55.380 -23.321 1.00 22.95 ? 29 VAL C N 1 +ATOM 2129 C CA . VAL C 1 29 ? -94.119 -56.081 -24.576 1.00 20.11 ? 29 VAL C CA 1 +ATOM 2130 C C . VAL C 1 29 ? -94.830 -57.434 -24.605 1.00 19.94 ? 29 VAL C C 1 +ATOM 2131 O O . VAL C 1 29 ? -94.438 -58.364 -23.900 1.00 19.74 ? 29 VAL C O 1 +ATOM 2132 C CB . VAL C 1 29 ? -92.614 -56.322 -24.793 1.00 18.19 ? 29 VAL C CB 1 +ATOM 2133 C CG1 . VAL C 1 29 ? -92.410 -57.145 -26.050 1.00 16.29 ? 29 VAL C CG1 1 +ATOM 2134 C CG2 . VAL C 1 29 ? -91.880 -55.001 -24.922 1.00 16.66 ? 29 VAL C CG2 1 +ATOM 2135 N N . ALA C 1 30 ? -95.882 -57.531 -25.417 1.00 18.77 ? 30 ALA C N 1 +ATOM 2136 C CA . ALA C 1 30 ? -96.650 -58.765 -25.539 1.00 19.79 ? 30 ALA C CA 1 +ATOM 2137 C C . ALA C 1 30 ? -95.892 -59.740 -26.429 1.00 20.98 ? 30 ALA C C 1 +ATOM 2138 O O . ALA C 1 30 ? -95.410 -59.355 -27.489 1.00 21.83 ? 30 ALA C O 1 +ATOM 2139 C CB . ALA C 1 30 ? -98.017 -58.470 -26.138 1.00 18.79 ? 30 ALA C CB 1 +ATOM 2140 N N . GLU C 1 31 ? -95.792 -60.999 -26.001 1.00 22.20 ? 31 GLU C N 1 +ATOM 2141 C CA . GLU C 1 31 ? -95.083 -62.017 -26.773 1.00 22.48 ? 31 GLU C CA 1 +ATOM 2142 C C . GLU C 1 31 ? -95.893 -63.292 -27.003 1.00 22.53 ? 31 GLU C C 1 +ATOM 2143 O O . GLU C 1 31 ? -96.502 -63.829 -26.076 1.00 23.29 ? 31 GLU C O 1 +ATOM 2144 C CB . GLU C 1 31 ? -93.774 -62.388 -26.074 1.00 23.97 ? 31 GLU C CB 1 +ATOM 2145 C CG . GLU C 1 31 ? -93.069 -63.611 -26.677 1.00 28.12 ? 31 GLU C CG 1 +ATOM 2146 C CD . GLU C 1 31 ? -91.783 -63.976 -25.943 1.00 31.09 ? 31 GLU C CD 1 +ATOM 2147 O OE1 . GLU C 1 31 ? -90.859 -63.134 -25.881 1.00 31.55 ? 31 GLU C OE1 1 +ATOM 2148 O OE2 . GLU C 1 31 ? -91.691 -65.110 -25.426 1.00 33.25 ? 31 GLU C OE2 1 +ATOM 2149 N N . TRP C 1 32 ? -95.883 -63.765 -28.247 1.00 21.37 ? 32 TRP C N 1 +ATOM 2150 C CA . TRP C 1 32 ? -96.579 -64.986 -28.638 1.00 20.53 ? 32 TRP C CA 1 +ATOM 2151 C C . TRP C 1 32 ? -95.522 -65.965 -29.177 1.00 21.08 ? 32 TRP C C 1 +ATOM 2152 O O . TRP C 1 32 ? -94.566 -65.544 -29.843 1.00 22.00 ? 32 TRP C O 1 +ATOM 2153 C CB . TRP C 1 32 ? -97.568 -64.694 -29.757 1.00 19.67 ? 32 TRP C CB 1 +ATOM 2154 C CG . TRP C 1 32 ? -98.814 -63.941 -29.399 1.00 19.46 ? 32 TRP C CG 1 +ATOM 2155 C CD1 . TRP C 1 32 ? -100.043 -64.478 -29.158 1.00 19.26 ? 32 TRP C CD1 1 +ATOM 2156 C CD2 . TRP C 1 32 ? -98.995 -62.514 -29.411 1.00 19.66 ? 32 TRP C CD2 1 +ATOM 2157 N NE1 . TRP C 1 32 ? -100.981 -63.481 -29.037 1.00 19.03 ? 32 TRP C NE1 1 +ATOM 2158 C CE2 . TRP C 1 32 ? -100.366 -62.265 -29.186 1.00 18.95 ? 32 TRP C CE2 1 +ATOM 2159 C CE3 . TRP C 1 32 ? -98.132 -61.423 -29.593 1.00 18.47 ? 32 TRP C CE3 1 +ATOM 2160 C CZ2 . TRP C 1 32 ? -100.900 -60.967 -29.142 1.00 18.74 ? 32 TRP C CZ2 1 +ATOM 2161 C CZ3 . TRP C 1 32 ? -98.662 -60.132 -29.547 1.00 17.63 ? 32 TRP C CZ3 1 +ATOM 2162 C CH2 . TRP C 1 32 ? -100.037 -59.920 -29.323 1.00 18.25 ? 32 TRP C CH2 1 +ATOM 2163 N N . ILE C 1 33 ? -95.698 -67.258 -28.901 1.00 20.59 ? 33 ILE C N 1 +ATOM 2164 C CA . ILE C 1 33 ? -94.763 -68.294 -29.356 1.00 21.05 ? 33 ILE C CA 1 +ATOM 2165 C C . ILE C 1 33 ? -95.526 -69.555 -29.765 1.00 20.81 ? 33 ILE C C 1 +ATOM 2166 O O . ILE C 1 33 ? -96.516 -69.916 -29.132 1.00 20.86 ? 33 ILE C O 1 +ATOM 2167 C CB . ILE C 1 33 ? -93.785 -68.733 -28.240 1.00 22.55 ? 33 ILE C CB 1 +ATOM 2168 C CG1 . ILE C 1 33 ? -92.968 -67.549 -27.723 1.00 24.52 ? 33 ILE C CG1 1 +ATOM 2169 C CG2 . ILE C 1 33 ? -92.838 -69.785 -28.793 1.00 24.20 ? 33 ILE C CG2 1 +ATOM 2170 C CD1 . ILE C 1 33 ? -91.783 -67.180 -28.611 1.00 26.94 ? 33 ILE C CD1 1 +ATOM 2171 N N . SER C 1 34 ? -95.060 -70.233 -30.810 1.00 19.79 ? 34 SER C N 1 +ATOM 2172 C CA . SER C 1 34 ? -95.713 -71.458 -31.253 1.00 19.96 ? 34 SER C CA 1 +ATOM 2173 C C . SER C 1 34 ? -95.283 -72.584 -30.307 1.00 20.70 ? 34 SER C C 1 +ATOM 2174 O O . SER C 1 34 ? -94.276 -72.459 -29.605 1.00 19.24 ? 34 SER C O 1 +ATOM 2175 C CB . SER C 1 34 ? -95.318 -71.783 -32.695 1.00 19.92 ? 34 SER C CB 1 +ATOM 2176 O OG . SER C 1 34 ? -93.912 -71.873 -32.835 1.00 21.74 ? 34 SER C OG 1 +ATOM 2177 N N . SER C 1 35 ? -96.044 -73.676 -30.289 1.00 21.29 ? 35 SER C N 1 +ATOM 2178 C CA . SER C 1 35 ? -95.740 -74.795 -29.408 1.00 22.26 ? 35 SER C CA 1 +ATOM 2179 C C . SER C 1 35 ? -94.462 -75.561 -29.788 1.00 23.80 ? 35 SER C C 1 +ATOM 2180 O O . SER C 1 35 ? -93.848 -75.298 -30.826 1.00 23.31 ? 35 SER C O 1 +ATOM 2181 C CB . SER C 1 35 ? -96.931 -75.743 -29.352 1.00 22.56 ? 35 SER C CB 1 +ATOM 2182 O OG . SER C 1 35 ? -96.852 -76.577 -28.213 1.00 24.52 ? 35 SER C OG 1 +ATOM 2183 N N . ASN C 1 36 ? -94.080 -76.506 -28.924 1.00 24.91 ? 36 ASN C N 1 +ATOM 2184 C CA . ASN C 1 36 ? -92.870 -77.322 -29.068 1.00 25.23 ? 36 ASN C CA 1 +ATOM 2185 C C . ASN C 1 36 ? -91.579 -76.537 -28.820 1.00 24.66 ? 36 ASN C C 1 +ATOM 2186 O O . ASN C 1 36 ? -91.625 -75.365 -28.462 1.00 25.93 ? 36 ASN C O 1 +ATOM 2187 C CB . ASN C 1 36 ? -92.818 -78.020 -30.427 1.00 27.63 ? 36 ASN C CB 1 +ATOM 2188 C CG . ASN C 1 36 ? -93.243 -79.480 -30.334 1.00 30.43 ? 36 ASN C CG 1 +ATOM 2189 O OD1 . ASN C 1 36 ? -92.766 -80.222 -29.470 1.00 31.10 ? 36 ASN C OD1 1 +ATOM 2190 N ND2 . ASN C 1 36 ? -94.143 -79.899 -31.220 1.00 32.23 ? 36 ASN C ND2 1 +ATOM 2191 N N . SER C 1 37 ? -90.433 -77.190 -28.997 1.00 24.22 ? 37 SER C N 1 +ATOM 2192 C CA . SER C 1 37 ? -89.133 -76.565 -28.751 1.00 24.04 ? 37 SER C CA 1 +ATOM 2193 C C . SER C 1 37 ? -89.084 -75.069 -28.987 1.00 23.76 ? 37 SER C C 1 +ATOM 2194 O O . SER C 1 37 ? -89.315 -74.603 -30.103 1.00 24.63 ? 37 SER C O 1 +ATOM 2195 C CB . SER C 1 37 ? -88.054 -77.221 -29.604 1.00 24.19 ? 37 SER C CB 1 +ATOM 2196 O OG . SER C 1 37 ? -87.897 -78.574 -29.244 1.00 26.44 ? 37 SER C OG 1 +ATOM 2197 N N . ARG C 1 38 ? -88.783 -74.319 -27.931 1.00 22.72 ? 38 ARG C N 1 +ATOM 2198 C CA . ARG C 1 38 ? -88.677 -72.873 -28.032 1.00 22.09 ? 38 ARG C CA 1 +ATOM 2199 C C . ARG C 1 38 ? -87.628 -72.587 -29.110 1.00 22.17 ? 38 ARG C C 1 +ATOM 2200 O O . ARG C 1 38 ? -87.728 -71.606 -29.851 1.00 21.71 ? 38 ARG C O 1 +ATOM 2201 C CB . ARG C 1 38 ? -88.256 -72.300 -26.670 1.00 22.75 ? 38 ARG C CB 1 +ATOM 2202 C CG . ARG C 1 38 ? -87.904 -70.809 -26.625 1.00 25.30 ? 38 ARG C CG 1 +ATOM 2203 C CD . ARG C 1 38 ? -88.958 -69.921 -27.276 1.00 28.98 ? 38 ARG C CD 1 +ATOM 2204 N NE . ARG C 1 38 ? -88.423 -69.296 -28.487 1.00 33.30 ? 38 ARG C NE 1 +ATOM 2205 C CZ . ARG C 1 38 ? -87.906 -68.075 -28.547 1.00 33.94 ? 38 ARG C CZ 1 +ATOM 2206 N NH1 . ARG C 1 38 ? -87.854 -67.315 -27.460 1.00 34.58 ? 38 ARG C NH1 1 +ATOM 2207 N NH2 . ARG C 1 38 ? -87.414 -67.621 -29.696 1.00 34.60 ? 38 ARG C NH2 1 +ATOM 2208 N N . SER C 1 39 ? -86.643 -73.476 -29.215 1.00 21.80 ? 39 SER C N 1 +ATOM 2209 C CA . SER C 1 39 ? -85.566 -73.333 -30.186 1.00 20.93 ? 39 SER C CA 1 +ATOM 2210 C C . SER C 1 39 ? -86.039 -73.301 -31.637 1.00 21.33 ? 39 SER C C 1 +ATOM 2211 O O . SER C 1 39 ? -85.403 -72.664 -32.476 1.00 23.29 ? 39 SER C O 1 +ATOM 2212 C CB . SER C 1 39 ? -84.550 -74.461 -30.009 1.00 19.72 ? 39 SER C CB 1 +ATOM 2213 O OG . SER C 1 39 ? -85.153 -75.723 -30.231 1.00 19.55 ? 39 SER C OG 1 +ATOM 2214 N N . GLN C 1 40 ? -87.143 -73.977 -31.938 1.00 21.22 ? 40 GLN C N 1 +ATOM 2215 C CA . GLN C 1 40 ? -87.673 -74.015 -33.304 1.00 21.64 ? 40 GLN C CA 1 +ATOM 2216 C C . GLN C 1 40 ? -89.005 -73.282 -33.426 1.00 22.12 ? 40 GLN C C 1 +ATOM 2217 O O . GLN C 1 40 ? -89.715 -73.433 -34.422 1.00 22.95 ? 40 GLN C O 1 +ATOM 2218 C CB . GLN C 1 40 ? -87.902 -75.458 -33.745 1.00 21.06 ? 40 GLN C CB 1 +ATOM 2219 C CG . GLN C 1 40 ? -86.710 -76.373 -33.617 1.00 23.47 ? 40 GLN C CG 1 +ATOM 2220 C CD . GLN C 1 40 ? -87.021 -77.764 -34.144 1.00 24.96 ? 40 GLN C CD 1 +ATOM 2221 O OE1 . GLN C 1 40 ? -88.070 -78.335 -33.824 1.00 25.79 ? 40 GLN C OE1 1 +ATOM 2222 N NE2 . GLN C 1 40 ? -86.115 -78.315 -34.952 1.00 24.17 ? 40 GLN C NE2 1 +ATOM 2223 N N . ALA C 1 41 ? -89.335 -72.484 -32.417 1.00 21.48 ? 41 ALA C N 1 +ATOM 2224 C CA . ALA C 1 41 ? -90.609 -71.779 -32.382 1.00 20.44 ? 41 ALA C CA 1 +ATOM 2225 C C . ALA C 1 41 ? -90.711 -70.474 -33.152 1.00 20.41 ? 41 ALA C C 1 +ATOM 2226 O O . ALA C 1 41 ? -89.715 -69.786 -33.393 1.00 19.72 ? 41 ALA C O 1 +ATOM 2227 C CB . ALA C 1 41 ? -91.000 -71.533 -30.932 1.00 19.66 ? 41 ALA C CB 1 +ATOM 2228 N N . TYR C 1 42 ? -91.942 -70.151 -33.544 1.00 20.43 ? 42 TYR C N 1 +ATOM 2229 C CA . TYR C 1 42 ? -92.235 -68.906 -34.230 1.00 20.06 ? 42 TYR C CA 1 +ATOM 2230 C C . TYR C 1 42 ? -92.438 -67.889 -33.113 1.00 20.63 ? 42 TYR C C 1 +ATOM 2231 O O . TYR C 1 42 ? -93.033 -68.202 -32.079 1.00 21.05 ? 42 TYR C O 1 +ATOM 2232 C CB . TYR C 1 42 ? -93.526 -69.007 -35.030 1.00 20.09 ? 42 TYR C CB 1 +ATOM 2233 C CG . TYR C 1 42 ? -93.397 -69.710 -36.357 1.00 20.95 ? 42 TYR C CG 1 +ATOM 2234 C CD1 . TYR C 1 42 ? -93.082 -71.072 -36.426 1.00 21.08 ? 42 TYR C CD1 1 +ATOM 2235 C CD2 . TYR C 1 42 ? -93.625 -69.023 -37.548 1.00 20.54 ? 42 TYR C CD2 1 +ATOM 2236 C CE1 . TYR C 1 42 ? -93.005 -71.731 -37.652 1.00 20.66 ? 42 TYR C CE1 1 +ATOM 2237 C CE2 . TYR C 1 42 ? -93.553 -69.671 -38.779 1.00 20.46 ? 42 TYR C CE2 1 +ATOM 2238 C CZ . TYR C 1 42 ? -93.246 -71.024 -38.822 1.00 21.34 ? 42 TYR C CZ 1 +ATOM 2239 O OH . TYR C 1 42 ? -93.198 -71.669 -40.036 1.00 22.90 ? 42 TYR C OH 1 +ATOM 2240 N N . LYS C 1 43 ? -91.950 -66.674 -33.312 1.00 19.86 ? 43 LYS C N 1 +ATOM 2241 C CA . LYS C 1 43 ? -92.097 -65.664 -32.286 1.00 19.76 ? 43 LYS C CA 1 +ATOM 2242 C C . LYS C 1 43 ? -92.727 -64.397 -32.851 1.00 19.84 ? 43 LYS C C 1 +ATOM 2243 O O . LYS C 1 43 ? -92.497 -64.022 -34.007 1.00 20.20 ? 43 LYS C O 1 +ATOM 2244 C CB . LYS C 1 43 ? -90.729 -65.363 -31.677 1.00 20.09 ? 43 LYS C CB 1 +ATOM 2245 C CG . LYS C 1 43 ? -90.732 -64.344 -30.568 1.00 22.04 ? 43 LYS C CG 1 +ATOM 2246 C CD . LYS C 1 43 ? -89.318 -64.120 -30.078 1.00 24.84 ? 43 LYS C CD 1 +ATOM 2247 C CE . LYS C 1 43 ? -89.264 -63.026 -29.027 1.00 27.89 ? 43 LYS C CE 1 +ATOM 2248 N NZ . LYS C 1 43 ? -87.861 -62.738 -28.597 1.00 31.29 ? 43 LYS C NZ 1 +ATOM 2249 N N . VAL C 1 44 ? -93.540 -63.753 -32.024 1.00 19.12 ? 44 VAL C N 1 +ATOM 2250 C CA . VAL C 1 44 ? -94.211 -62.520 -32.402 1.00 18.36 ? 44 VAL C CA 1 +ATOM 2251 C C . VAL C 1 44 ? -94.269 -61.649 -31.166 1.00 18.84 ? 44 VAL C C 1 +ATOM 2252 O O . VAL C 1 44 ? -94.654 -62.122 -30.091 1.00 20.11 ? 44 VAL C O 1 +ATOM 2253 C CB . VAL C 1 44 ? -95.660 -62.774 -32.866 1.00 16.45 ? 44 VAL C CB 1 +ATOM 2254 C CG1 . VAL C 1 44 ? -96.351 -61.458 -33.145 1.00 14.42 ? 44 VAL C CG1 1 +ATOM 2255 C CG2 . VAL C 1 44 ? -95.667 -63.638 -34.102 1.00 16.56 ? 44 VAL C CG2 1 +ATOM 2256 N N . THR C 1 45 ? -93.874 -60.389 -31.300 1.00 17.84 ? 45 THR C N 1 +ATOM 2257 C CA . THR C 1 45 ? -93.943 -59.478 -30.173 1.00 18.53 ? 45 THR C CA 1 +ATOM 2258 C C . THR C 1 45 ? -94.544 -58.170 -30.655 1.00 19.01 ? 45 THR C C 1 +ATOM 2259 O O . THR C 1 45 ? -94.393 -57.797 -31.818 1.00 18.83 ? 45 THR C O 1 +ATOM 2260 C CB . THR C 1 45 ? -92.575 -59.226 -29.547 1.00 17.68 ? 45 THR C CB 1 +ATOM 2261 O OG1 . THR C 1 45 ? -91.690 -58.709 -30.540 1.00 21.15 ? 45 THR C OG1 1 +ATOM 2262 C CG2 . THR C 1 45 ? -92.011 -60.509 -28.997 1.00 17.79 ? 45 THR C CG2 1 +ATOM 2263 N N . CYS C 1 46 ? -95.250 -57.492 -29.759 1.00 19.51 ? 46 CYS C N 1 +ATOM 2264 C CA . CYS C 1 46 ? -95.896 -56.240 -30.094 1.00 20.26 ? 46 CYS C CA 1 +ATOM 2265 C C . CYS C 1 46 ? -95.934 -55.336 -28.876 1.00 21.38 ? 46 CYS C C 1 +ATOM 2266 O O . CYS C 1 46 ? -96.132 -55.806 -27.757 1.00 22.64 ? 46 CYS C O 1 +ATOM 2267 C CB . CYS C 1 46 ? -97.321 -56.514 -30.578 1.00 19.46 ? 46 CYS C CB 1 +ATOM 2268 S SG . CYS C 1 46 ? -98.364 -55.035 -30.790 1.00 21.13 ? 46 CYS C SG 1 +ATOM 2269 N N . SER C 1 47 ? -95.720 -54.044 -29.090 1.00 21.70 ? 47 SER C N 1 +ATOM 2270 C CA . SER C 1 47 ? -95.772 -53.080 -28.002 1.00 23.29 ? 47 SER C CA 1 +ATOM 2271 C C . SER C 1 47 ? -96.207 -51.751 -28.608 1.00 25.14 ? 47 SER C C 1 +ATOM 2272 O O . SER C 1 47 ? -96.067 -51.537 -29.815 1.00 25.86 ? 47 SER C O 1 +ATOM 2273 C CB . SER C 1 47 ? -94.411 -52.942 -27.327 1.00 21.85 ? 47 SER C CB 1 +ATOM 2274 O OG . SER C 1 47 ? -93.539 -52.157 -28.110 1.00 22.45 ? 47 SER C OG 1 +ATOM 2275 N N . VAL C 1 48 ? -96.755 -50.870 -27.779 1.00 27.01 ? 48 VAL C N 1 +ATOM 2276 C CA . VAL C 1 48 ? -97.225 -49.566 -28.237 1.00 28.34 ? 48 VAL C CA 1 +ATOM 2277 C C . VAL C 1 48 ? -96.759 -48.541 -27.241 1.00 30.02 ? 48 VAL C C 1 +ATOM 2278 O O . VAL C 1 48 ? -96.609 -48.845 -26.059 1.00 30.62 ? 48 VAL C O 1 +ATOM 2279 C CB . VAL C 1 48 ? -98.753 -49.456 -28.235 1.00 28.02 ? 48 VAL C CB 1 +ATOM 2280 C CG1 . VAL C 1 48 ? -99.193 -48.438 -29.270 1.00 27.25 ? 48 VAL C CG1 1 +ATOM 2281 C CG2 . VAL C 1 48 ? -99.378 -50.808 -28.465 1.00 30.39 ? 48 VAL C CG2 1 +ATOM 2282 N N . ARG C 1 49 ? -96.545 -47.318 -27.699 1.00 31.71 ? 49 ARG C N 1 +ATOM 2283 C CA . ARG C 1 49 ? -96.121 -46.285 -26.782 1.00 33.50 ? 49 ARG C CA 1 +ATOM 2284 C C . ARG C 1 49 ? -96.136 -44.896 -27.393 1.00 33.18 ? 49 ARG C C 1 +ATOM 2285 O O . ARG C 1 49 ? -96.070 -44.731 -28.606 1.00 32.13 ? 49 ARG C O 1 +ATOM 2286 C CB . ARG C 1 49 ? -94.743 -46.630 -26.215 1.00 36.93 ? 49 ARG C CB 1 +ATOM 2287 C CG . ARG C 1 49 ? -93.604 -45.783 -26.701 1.00 43.17 ? 49 ARG C CG 1 +ATOM 2288 C CD . ARG C 1 49 ? -93.008 -46.322 -27.974 1.00 49.52 ? 49 ARG C CD 1 +ATOM 2289 N NE . ARG C 1 49 ? -91.612 -45.911 -28.077 1.00 55.11 ? 49 ARG C NE 1 +ATOM 2290 C CZ . ARG C 1 49 ? -90.775 -46.300 -29.036 1.00 58.44 ? 49 ARG C CZ 1 +ATOM 2291 N NH1 . ARG C 1 49 ? -91.183 -47.116 -30.005 1.00 59.83 ? 49 ARG C NH1 1 +ATOM 2292 N NH2 . ARG C 1 49 ? -89.514 -45.893 -29.004 1.00 60.39 ? 49 ARG C NH2 1 +ATOM 2293 N N . GLN C 1 50 ? -96.257 -43.902 -26.526 1.00 34.14 ? 50 GLN C N 1 +ATOM 2294 C CA . GLN C 1 50 ? -96.290 -42.507 -26.925 1.00 34.55 ? 50 GLN C CA 1 +ATOM 2295 C C . GLN C 1 50 ? -94.859 -42.104 -27.273 1.00 34.49 ? 50 GLN C C 1 +ATOM 2296 O O . GLN C 1 50 ? -94.066 -41.779 -26.393 1.00 34.45 ? 50 GLN C O 1 +ATOM 2297 C CB . GLN C 1 50 ? -96.808 -41.677 -25.750 1.00 36.22 ? 50 GLN C CB 1 +ATOM 2298 C CG . GLN C 1 50 ? -97.195 -40.254 -26.063 1.00 39.97 ? 50 GLN C CG 1 +ATOM 2299 C CD . GLN C 1 50 ? -98.610 -40.146 -26.577 1.00 41.46 ? 50 GLN C CD 1 +ATOM 2300 O OE1 . GLN C 1 50 ? -99.515 -40.831 -26.096 1.00 42.94 ? 50 GLN C OE1 1 +ATOM 2301 N NE2 . GLN C 1 50 ? -98.818 -39.268 -27.551 1.00 41.88 ? 50 GLN C NE2 1 +ATOM 2302 N N . SER C 1 51 ? -94.523 -42.138 -28.557 1.00 35.14 ? 51 SER C N 1 +ATOM 2303 C CA . SER C 1 51 ? -93.177 -41.782 -28.986 1.00 36.47 ? 51 SER C CA 1 +ATOM 2304 C C . SER C 1 51 ? -92.903 -40.296 -28.777 1.00 37.51 ? 51 SER C C 1 +ATOM 2305 O O . SER C 1 51 ? -91.850 -39.921 -28.260 1.00 39.73 ? 51 SER C O 1 +ATOM 2306 C CB . SER C 1 51 ? -92.959 -42.162 -30.456 1.00 36.23 ? 51 SER C CB 1 +ATOM 2307 O OG . SER C 1 51 ? -93.924 -41.559 -31.298 1.00 37.18 ? 51 SER C OG 1 +ATOM 2308 N N . SER C 1 52 ? -93.844 -39.449 -29.184 1.00 37.17 ? 52 SER C N 1 +ATOM 2309 C CA . SER C 1 52 ? -93.692 -38.010 -29.004 1.00 36.86 ? 52 SER C CA 1 +ATOM 2310 C C . SER C 1 52 ? -95.014 -37.460 -28.486 1.00 37.96 ? 52 SER C C 1 +ATOM 2311 O O . SER C 1 52 ? -95.911 -38.227 -28.119 1.00 38.03 ? 52 SER C O 1 +ATOM 2312 C CB . SER C 1 52 ? -93.315 -37.325 -30.317 1.00 36.58 ? 52 SER C CB 1 +ATOM 2313 O OG . SER C 1 52 ? -94.434 -37.185 -31.173 1.00 37.69 ? 52 SER C OG 1 +ATOM 2314 N N . ALA C 1 53 ? -95.143 -36.141 -28.459 1.00 38.66 ? 53 ALA C N 1 +ATOM 2315 C CA . ALA C 1 53 ? -96.362 -35.522 -27.948 1.00 39.10 ? 53 ALA C CA 1 +ATOM 2316 C C . ALA C 1 53 ? -97.606 -35.787 -28.785 1.00 39.75 ? 53 ALA C C 1 +ATOM 2317 O O . ALA C 1 53 ? -98.714 -35.812 -28.250 1.00 40.43 ? 53 ALA C O 1 +ATOM 2318 C CB . ALA C 1 53 ? -96.155 -34.017 -27.794 1.00 38.52 ? 53 ALA C CB 1 +ATOM 2319 N N . GLN C 1 54 ? -97.429 -35.996 -30.087 1.00 40.29 ? 54 GLN C N 1 +ATOM 2320 C CA . GLN C 1 54 ? -98.570 -36.219 -30.968 1.00 40.13 ? 54 GLN C CA 1 +ATOM 2321 C C . GLN C 1 54 ? -98.576 -37.560 -31.672 1.00 38.02 ? 54 GLN C C 1 +ATOM 2322 O O . GLN C 1 54 ? -99.473 -37.841 -32.463 1.00 37.41 ? 54 GLN C O 1 +ATOM 2323 C CB . GLN C 1 54 ? -98.623 -35.123 -32.019 1.00 43.16 ? 54 GLN C CB 1 +ATOM 2324 C CG . GLN C 1 54 ? -98.343 -33.748 -31.462 1.00 48.99 ? 54 GLN C CG 1 +ATOM 2325 C CD . GLN C 1 54 ? -98.694 -32.651 -32.443 1.00 52.28 ? 54 GLN C CD 1 +ATOM 2326 O OE1 . GLN C 1 54 ? -98.328 -32.718 -33.626 1.00 54.34 ? 54 GLN C OE1 1 +ATOM 2327 N NE2 . GLN C 1 54 ? -99.406 -31.628 -31.963 1.00 53.11 ? 54 GLN C NE2 1 +ATOM 2328 N N . ASN C 1 55 ? -97.587 -38.396 -31.384 1.00 35.47 ? 55 ASN C N 1 +ATOM 2329 C CA . ASN C 1 55 ? -97.529 -39.690 -32.034 1.00 33.52 ? 55 ASN C CA 1 +ATOM 2330 C C . ASN C 1 55 ? -97.442 -40.885 -31.120 1.00 32.35 ? 55 ASN C C 1 +ATOM 2331 O O . ASN C 1 55 ? -96.715 -40.874 -30.132 1.00 32.02 ? 55 ASN C O 1 +ATOM 2332 C CB . ASN C 1 55 ? -96.336 -39.757 -32.987 1.00 33.75 ? 55 ASN C CB 1 +ATOM 2333 C CG . ASN C 1 55 ? -96.494 -38.859 -34.183 1.00 33.62 ? 55 ASN C CG 1 +ATOM 2334 O OD1 . ASN C 1 55 ? -97.478 -38.943 -34.916 1.00 34.67 ? 55 ASN C OD1 1 +ATOM 2335 N ND2 . ASN C 1 55 ? -95.520 -37.993 -34.394 1.00 35.25 ? 55 ASN C ND2 1 +ATOM 2336 N N . ARG C 1 56 ? -98.205 -41.915 -31.462 1.00 31.11 ? 56 ARG C N 1 +ATOM 2337 C CA . ARG C 1 56 ? -98.158 -43.173 -30.742 1.00 30.14 ? 56 ARG C CA 1 +ATOM 2338 C C . ARG C 1 56 ? -97.425 -44.054 -31.744 1.00 29.37 ? 56 ARG C C 1 +ATOM 2339 O O . ARG C 1 56 ? -97.547 -43.856 -32.955 1.00 28.65 ? 56 ARG C O 1 +ATOM 2340 C CB . ARG C 1 56 ? -99.551 -43.725 -30.473 1.00 30.00 ? 56 ARG C CB 1 +ATOM 2341 C CG . ARG C 1 56 ? -100.257 -43.118 -29.276 1.00 31.81 ? 56 ARG C CG 1 +ATOM 2342 C CD . ARG C 1 56 ? -101.349 -44.058 -28.829 1.00 33.21 ? 56 ARG C CD 1 +ATOM 2343 N NE . ARG C 1 56 ? -102.103 -44.519 -29.988 1.00 37.28 ? 56 ARG C NE 1 +ATOM 2344 C CZ . ARG C 1 56 ? -102.627 -45.735 -30.119 1.00 38.35 ? 56 ARG C CZ 1 +ATOM 2345 N NH1 . ARG C 1 56 ? -102.487 -46.638 -29.151 1.00 38.26 ? 56 ARG C NH1 1 +ATOM 2346 N NH2 . ARG C 1 56 ? -103.286 -46.053 -31.233 1.00 38.09 ? 56 ARG C NH2 1 +ATOM 2347 N N . LYS C 1 57 ? -96.660 -45.022 -31.261 1.00 28.75 ? 57 LYS C N 1 +ATOM 2348 C CA . LYS C 1 57 ? -95.898 -45.856 -32.171 1.00 28.01 ? 57 LYS C CA 1 +ATOM 2349 C C . LYS C 1 57 ? -95.926 -47.332 -31.824 1.00 26.62 ? 57 LYS C C 1 +ATOM 2350 O O . LYS C 1 57 ? -95.668 -47.712 -30.688 1.00 28.03 ? 57 LYS C O 1 +ATOM 2351 C CB . LYS C 1 57 ? -94.456 -45.350 -32.199 1.00 30.30 ? 57 LYS C CB 1 +ATOM 2352 C CG . LYS C 1 57 ? -93.519 -46.112 -33.101 1.00 33.98 ? 57 LYS C CG 1 +ATOM 2353 C CD . LYS C 1 57 ? -92.189 -45.397 -33.158 1.00 37.18 ? 57 LYS C CD 1 +ATOM 2354 C CE . LYS C 1 57 ? -91.156 -46.222 -33.883 1.00 40.18 ? 57 LYS C CE 1 +ATOM 2355 N NZ . LYS C 1 57 ? -89.848 -45.507 -33.894 1.00 44.13 ? 57 LYS C NZ 1 +ATOM 2356 N N . TYR C 1 58 ? -96.246 -48.161 -32.813 1.00 24.58 ? 58 TYR C N 1 +ATOM 2357 C CA . TYR C 1 58 ? -96.283 -49.602 -32.617 1.00 22.37 ? 58 TYR C CA 1 +ATOM 2358 C C . TYR C 1 58 ? -94.989 -50.210 -33.125 1.00 21.83 ? 58 TYR C C 1 +ATOM 2359 O O . TYR C 1 58 ? -94.460 -49.780 -34.149 1.00 21.83 ? 58 TYR C O 1 +ATOM 2360 C CB . TYR C 1 58 ? -97.429 -50.235 -33.399 1.00 20.60 ? 58 TYR C CB 1 +ATOM 2361 C CG . TYR C 1 58 ? -98.809 -49.890 -32.907 1.00 20.03 ? 58 TYR C CG 1 +ATOM 2362 C CD1 . TYR C 1 58 ? -99.396 -48.665 -33.203 1.00 18.52 ? 58 TYR C CD1 1 +ATOM 2363 C CD2 . TYR C 1 58 ? -99.535 -50.801 -32.144 1.00 19.79 ? 58 TYR C CD2 1 +ATOM 2364 C CE1 . TYR C 1 58 ? -100.678 -48.360 -32.750 1.00 19.29 ? 58 TYR C CE1 1 +ATOM 2365 C CE2 . TYR C 1 58 ? -100.806 -50.510 -31.686 1.00 18.97 ? 58 TYR C CE2 1 +ATOM 2366 C CZ . TYR C 1 58 ? -101.376 -49.293 -31.991 1.00 19.43 ? 58 TYR C CZ 1 +ATOM 2367 O OH . TYR C 1 58 ? -102.660 -49.031 -31.548 1.00 19.62 ? 58 TYR C OH 1 +ATOM 2368 N N . THR C 1 59 ? -94.477 -51.202 -32.401 1.00 21.36 ? 59 THR C N 1 +ATOM 2369 C CA . THR C 1 59 ? -93.274 -51.917 -32.813 1.00 21.86 ? 59 THR C CA 1 +ATOM 2370 C C . THR C 1 59 ? -93.654 -53.394 -32.801 1.00 22.34 ? 59 THR C C 1 +ATOM 2371 O O . THR C 1 59 ? -93.888 -53.979 -31.746 1.00 23.88 ? 59 THR C O 1 +ATOM 2372 C CB . THR C 1 59 ? -92.091 -51.687 -31.860 1.00 20.91 ? 59 THR C CB 1 +ATOM 2373 O OG1 . THR C 1 59 ? -91.709 -50.310 -31.890 1.00 23.23 ? 59 THR C OG1 1 +ATOM 2374 C CG2 . THR C 1 59 ? -90.899 -52.521 -32.288 1.00 20.66 ? 59 THR C CG2 1 +ATOM 2375 N N . ILE C 1 60 ? -93.735 -53.982 -33.985 1.00 21.63 ? 60 ILE C N 1 +ATOM 2376 C CA . ILE C 1 60 ? -94.116 -55.375 -34.138 1.00 21.76 ? 60 ILE C CA 1 +ATOM 2377 C C . ILE C 1 60 ? -92.945 -56.164 -34.698 1.00 22.35 ? 60 ILE C C 1 +ATOM 2378 O O . ILE C 1 60 ? -92.204 -55.673 -35.549 1.00 22.97 ? 60 ILE C O 1 +ATOM 2379 C CB . ILE C 1 60 ? -95.297 -55.476 -35.089 1.00 22.38 ? 60 ILE C CB 1 +ATOM 2380 C CG1 . ILE C 1 60 ? -96.451 -54.630 -34.537 1.00 22.88 ? 60 ILE C CG1 1 +ATOM 2381 C CG2 . ILE C 1 60 ? -95.681 -56.924 -35.292 1.00 21.17 ? 60 ILE C CG2 1 +ATOM 2382 C CD1 . ILE C 1 60 ? -97.361 -54.051 -35.609 1.00 22.02 ? 60 ILE C CD1 1 +ATOM 2383 N N . LYS C 1 61 ? -92.770 -57.390 -34.221 1.00 21.98 ? 61 LYS C N 1 +ATOM 2384 C CA . LYS C 1 61 ? -91.666 -58.218 -34.678 1.00 21.10 ? 61 LYS C CA 1 +ATOM 2385 C C . LYS C 1 61 ? -92.079 -59.657 -34.856 1.00 20.93 ? 61 LYS C C 1 +ATOM 2386 O O . LYS C 1 61 ? -92.806 -60.212 -34.040 1.00 23.03 ? 61 LYS C O 1 +ATOM 2387 C CB . LYS C 1 61 ? -90.516 -58.147 -33.684 1.00 21.11 ? 61 LYS C CB 1 +ATOM 2388 C CG . LYS C 1 61 ? -89.885 -56.782 -33.607 1.00 23.10 ? 61 LYS C CG 1 +ATOM 2389 C CD . LYS C 1 61 ? -88.730 -56.775 -32.643 1.00 24.40 ? 61 LYS C CD 1 +ATOM 2390 C CE . LYS C 1 61 ? -88.014 -55.449 -32.681 1.00 25.91 ? 61 LYS C CE 1 +ATOM 2391 N NZ . LYS C 1 61 ? -86.870 -55.496 -31.739 1.00 30.54 ? 61 LYS C NZ 1 +ATOM 2392 N N . VAL C 1 62 ? -91.609 -60.270 -35.929 1.00 19.88 ? 62 VAL C N 1 +ATOM 2393 C CA . VAL C 1 62 ? -91.935 -61.655 -36.187 1.00 18.33 ? 62 VAL C CA 1 +ATOM 2394 C C . VAL C 1 62 ? -90.662 -62.414 -36.550 1.00 18.71 ? 62 VAL C C 1 +ATOM 2395 O O . VAL C 1 62 ? -89.750 -61.864 -37.172 1.00 17.19 ? 62 VAL C O 1 +ATOM 2396 C CB . VAL C 1 62 ? -92.945 -61.776 -37.337 1.00 17.48 ? 62 VAL C CB 1 +ATOM 2397 C CG1 . VAL C 1 62 ? -93.303 -63.234 -37.569 1.00 18.29 ? 62 VAL C CG1 1 +ATOM 2398 C CG2 . VAL C 1 62 ? -94.178 -60.967 -37.020 1.00 15.07 ? 62 VAL C CG2 1 +ATOM 2399 N N . GLU C 1 63 ? -90.607 -63.676 -36.145 1.00 19.92 ? 63 GLU C N 1 +ATOM 2400 C CA . GLU C 1 63 ? -89.467 -64.528 -36.436 1.00 20.64 ? 63 GLU C CA 1 +ATOM 2401 C C . GLU C 1 63 ? -89.938 -65.824 -37.073 1.00 21.29 ? 63 GLU C C 1 +ATOM 2402 O O . GLU C 1 63 ? -90.743 -66.550 -36.492 1.00 21.80 ? 63 GLU C O 1 +ATOM 2403 C CB . GLU C 1 63 ? -88.704 -64.844 -35.158 1.00 21.15 ? 63 GLU C CB 1 +ATOM 2404 C CG . GLU C 1 63 ? -87.655 -63.830 -34.817 1.00 23.05 ? 63 GLU C CG 1 +ATOM 2405 C CD . GLU C 1 63 ? -86.997 -64.119 -33.491 1.00 25.22 ? 63 GLU C CD 1 +ATOM 2406 O OE1 . GLU C 1 63 ? -86.760 -65.314 -33.199 1.00 26.88 ? 63 GLU C OE1 1 +ATOM 2407 O OE2 . GLU C 1 63 ? -86.711 -63.153 -32.747 1.00 24.80 ? 63 GLU C OE2 1 +ATOM 2408 N N . VAL C 1 64 ? -89.458 -66.098 -38.281 1.00 21.47 ? 64 VAL C N 1 +ATOM 2409 C CA . VAL C 1 64 ? -89.830 -67.325 -38.971 1.00 21.52 ? 64 VAL C CA 1 +ATOM 2410 C C . VAL C 1 64 ? -88.596 -68.203 -38.959 1.00 21.89 ? 64 VAL C C 1 +ATOM 2411 O O . VAL C 1 64 ? -87.547 -67.827 -39.481 1.00 23.88 ? 64 VAL C O 1 +ATOM 2412 C CB . VAL C 1 64 ? -90.258 -67.060 -40.409 1.00 20.53 ? 64 VAL C CB 1 +ATOM 2413 C CG1 . VAL C 1 64 ? -90.714 -68.354 -41.053 1.00 20.54 ? 64 VAL C CG1 1 +ATOM 2414 C CG2 . VAL C 1 64 ? -91.382 -66.046 -40.424 1.00 21.44 ? 64 VAL C CG2 1 +ATOM 2415 N N . PRO C 1 65 ? -88.702 -69.387 -38.345 1.00 21.72 ? 65 PRO C N 1 +ATOM 2416 C CA . PRO C 1 65 ? -87.554 -70.285 -38.280 1.00 21.20 ? 65 PRO C CA 1 +ATOM 2417 C C . PRO C 1 65 ? -87.493 -71.326 -39.378 1.00 21.06 ? 65 PRO C C 1 +ATOM 2418 O O . PRO C 1 65 ? -88.506 -71.685 -39.984 1.00 21.35 ? 65 PRO C O 1 +ATOM 2419 C CB . PRO C 1 65 ? -87.734 -70.935 -36.921 1.00 21.70 ? 65 PRO C CB 1 +ATOM 2420 C CG . PRO C 1 65 ? -89.219 -71.184 -36.919 1.00 21.58 ? 65 PRO C CG 1 +ATOM 2421 C CD . PRO C 1 65 ? -89.791 -69.871 -37.474 1.00 21.32 ? 65 PRO C CD 1 +ATOM 2422 N N . LYS C 1 66 ? -86.279 -71.803 -39.620 1.00 21.65 ? 66 LYS C N 1 +ATOM 2423 C CA . LYS C 1 66 ? -86.046 -72.848 -40.590 1.00 21.87 ? 66 LYS C CA 1 +ATOM 2424 C C . LYS C 1 66 ? -85.752 -74.057 -39.713 1.00 21.87 ? 66 LYS C C 1 +ATOM 2425 O O . LYS C 1 66 ? -84.641 -74.219 -39.205 1.00 21.38 ? 66 LYS C O 1 +ATOM 2426 C CB . LYS C 1 66 ? -84.838 -72.523 -41.454 1.00 22.18 ? 66 LYS C CB 1 +ATOM 2427 C CG . LYS C 1 66 ? -84.543 -73.614 -42.456 1.00 23.03 ? 66 LYS C CG 1 +ATOM 2428 C CD . LYS C 1 66 ? -85.794 -73.942 -43.252 1.00 22.49 ? 66 LYS C CD 1 +ATOM 2429 C CE . LYS C 1 66 ? -85.500 -74.957 -44.331 1.00 21.76 ? 66 LYS C CE 1 +ATOM 2430 N NZ . LYS C 1 66 ? -86.664 -75.150 -45.229 1.00 22.88 ? 66 LYS C NZ 1 +ATOM 2431 N N . VAL C 1 67 ? -86.763 -74.889 -39.509 1.00 22.03 ? 67 VAL C N 1 +ATOM 2432 C CA . VAL C 1 67 ? -86.628 -76.067 -38.661 1.00 22.41 ? 67 VAL C CA 1 +ATOM 2433 C C . VAL C 1 67 ? -85.600 -77.087 -39.148 1.00 23.62 ? 67 VAL C C 1 +ATOM 2434 O O . VAL C 1 67 ? -85.647 -77.550 -40.288 1.00 24.77 ? 67 VAL C O 1 +ATOM 2435 C CB . VAL C 1 67 ? -87.993 -76.747 -38.487 1.00 20.15 ? 67 VAL C CB 1 +ATOM 2436 C CG1 . VAL C 1 67 ? -87.823 -78.110 -37.875 1.00 21.70 ? 67 VAL C CG1 1 +ATOM 2437 C CG2 . VAL C 1 67 ? -88.871 -75.889 -37.594 1.00 19.96 ? 67 VAL C CG2 1 +ATOM 2438 N N . ALA C 1 68 ? -84.674 -77.444 -38.269 1.00 24.46 ? 68 ALA C N 1 +ATOM 2439 C CA . ALA C 1 68 ? -83.643 -78.408 -38.618 1.00 25.58 ? 68 ALA C CA 1 +ATOM 2440 C C . ALA C 1 68 ? -83.108 -79.104 -37.374 1.00 27.23 ? 68 ALA C C 1 +ATOM 2441 O O . ALA C 1 68 ? -83.319 -78.641 -36.252 1.00 28.41 ? 68 ALA C O 1 +ATOM 2442 C CB . ALA C 1 68 ? -82.508 -77.704 -39.352 1.00 24.36 ? 68 ALA C CB 1 +ATOM 2443 N N . THR C 1 69 ? -82.415 -80.216 -37.581 1.00 28.38 ? 69 THR C N 1 +ATOM 2444 C CA . THR C 1 69 ? -81.829 -80.981 -36.491 1.00 29.26 ? 69 THR C CA 1 +ATOM 2445 C C . THR C 1 69 ? -80.318 -80.808 -36.505 1.00 30.80 ? 69 THR C C 1 +ATOM 2446 O O . THR C 1 69 ? -79.678 -81.031 -37.533 1.00 32.66 ? 69 THR C O 1 +ATOM 2447 C CB . THR C 1 69 ? -82.100 -82.464 -36.661 1.00 28.93 ? 69 THR C CB 1 +ATOM 2448 O OG1 . THR C 1 69 ? -83.509 -82.690 -36.709 1.00 29.93 ? 69 THR C OG1 1 +ATOM 2449 C CG2 . THR C 1 69 ? -81.487 -83.241 -35.510 1.00 30.78 ? 69 THR C CG2 1 +ATOM 2450 N N . GLN C 1 70 ? -79.737 -80.412 -35.380 1.00 31.65 ? 70 GLN C N 1 +ATOM 2451 C CA . GLN C 1 70 ? -78.290 -80.253 -35.332 1.00 32.36 ? 70 GLN C CA 1 +ATOM 2452 C C . GLN C 1 70 ? -77.654 -81.458 -34.674 1.00 33.58 ? 70 GLN C C 1 +ATOM 2453 O O . GLN C 1 70 ? -78.070 -81.876 -33.593 1.00 34.26 ? 70 GLN C O 1 +ATOM 2454 C CB . GLN C 1 70 ? -77.895 -79.017 -34.544 1.00 31.82 ? 70 GLN C CB 1 +ATOM 2455 C CG . GLN C 1 70 ? -76.409 -78.958 -34.289 1.00 32.38 ? 70 GLN C CG 1 +ATOM 2456 C CD . GLN C 1 70 ? -76.032 -77.867 -33.310 1.00 34.05 ? 70 GLN C CD 1 +ATOM 2457 O OE1 . GLN C 1 70 ? -76.427 -77.897 -32.144 1.00 34.40 ? 70 GLN C OE1 1 +ATOM 2458 N NE2 . GLN C 1 70 ? -75.263 -76.889 -33.780 1.00 34.61 ? 70 GLN C NE2 1 +ATOM 2459 N N . THR C 1 71 ? -76.649 -82.024 -35.331 1.00 34.87 ? 71 THR C N 1 +ATOM 2460 C CA . THR C 1 71 ? -75.948 -83.172 -34.769 1.00 34.87 ? 71 THR C CA 1 +ATOM 2461 C C . THR C 1 71 ? -74.500 -82.811 -34.501 1.00 35.33 ? 71 THR C C 1 +ATOM 2462 O O . THR C 1 71 ? -73.766 -82.408 -35.404 1.00 34.76 ? 71 THR C O 1 +ATOM 2463 C CB . THR C 1 71 ? -75.981 -84.381 -35.698 1.00 33.81 ? 71 THR C CB 1 +ATOM 2464 O OG1 . THR C 1 71 ? -77.336 -84.817 -35.871 1.00 35.38 ? 71 THR C OG1 1 +ATOM 2465 C CG2 . THR C 1 71 ? -75.183 -85.509 -35.095 1.00 32.98 ? 71 THR C CG2 1 +ATOM 2466 N N . VAL C 1 72 ? -74.101 -82.939 -33.244 1.00 36.19 ? 72 VAL C N 1 +ATOM 2467 C CA . VAL C 1 72 ? -72.740 -82.638 -32.840 1.00 37.44 ? 72 VAL C CA 1 +ATOM 2468 C C . VAL C 1 72 ? -72.285 -83.676 -31.819 1.00 38.71 ? 72 VAL C C 1 +ATOM 2469 O O . VAL C 1 72 ? -72.881 -83.815 -30.744 1.00 40.42 ? 72 VAL C O 1 +ATOM 2470 C CB . VAL C 1 72 ? -72.647 -81.224 -32.239 1.00 37.25 ? 72 VAL C CB 1 +ATOM 2471 C CG1 . VAL C 1 72 ? -71.407 -81.101 -31.365 1.00 37.80 ? 72 VAL C CG1 1 +ATOM 2472 C CG2 . VAL C 1 72 ? -72.594 -80.199 -33.365 1.00 36.89 ? 72 VAL C CG2 1 +ATOM 2473 N N . GLY C 1 73 ? -71.228 -84.409 -32.165 1.00 37.92 ? 73 GLY C N 1 +ATOM 2474 C CA . GLY C 1 73 ? -70.725 -85.433 -31.275 1.00 36.36 ? 73 GLY C CA 1 +ATOM 2475 C C . GLY C 1 73 ? -71.707 -86.583 -31.206 1.00 35.63 ? 73 GLY C C 1 +ATOM 2476 O O . GLY C 1 73 ? -71.674 -87.384 -30.277 1.00 36.32 ? 73 GLY C O 1 +ATOM 2477 N N . GLY C 1 74 ? -72.591 -86.674 -32.191 1.00 34.77 ? 74 GLY C N 1 +ATOM 2478 C CA . GLY C 1 74 ? -73.562 -87.750 -32.182 1.00 35.35 ? 74 GLY C CA 1 +ATOM 2479 C C . GLY C 1 74 ? -74.762 -87.408 -31.322 1.00 35.88 ? 74 GLY C C 1 +ATOM 2480 O O . GLY C 1 74 ? -75.651 -88.236 -31.129 1.00 35.73 ? 74 GLY C O 1 +ATOM 2481 N N . VAL C 1 75 ? -74.779 -86.183 -30.803 1.00 35.94 ? 75 VAL C N 1 +ATOM 2482 C CA . VAL C 1 75 ? -75.871 -85.695 -29.967 1.00 36.31 ? 75 VAL C CA 1 +ATOM 2483 C C . VAL C 1 75 ? -76.724 -84.759 -30.817 1.00 36.49 ? 75 VAL C C 1 +ATOM 2484 O O . VAL C 1 75 ? -76.252 -83.693 -31.213 1.00 36.73 ? 75 VAL C O 1 +ATOM 2485 C CB . VAL C 1 75 ? -75.341 -84.876 -28.764 1.00 36.80 ? 75 VAL C CB 1 +ATOM 2486 C CG1 . VAL C 1 75 ? -76.499 -84.411 -27.896 1.00 36.27 ? 75 VAL C CG1 1 +ATOM 2487 C CG2 . VAL C 1 75 ? -74.361 -85.705 -27.954 1.00 38.31 ? 75 VAL C CG2 1 +ATOM 2488 N N . GLU C 1 76 ? -77.965 -85.137 -31.113 1.00 36.34 ? 76 GLU C N 1 +ATOM 2489 C CA . GLU C 1 76 ? -78.805 -84.245 -31.909 1.00 36.65 ? 76 GLU C CA 1 +ATOM 2490 C C . GLU C 1 76 ? -79.797 -83.420 -31.094 1.00 35.00 ? 76 GLU C C 1 +ATOM 2491 O O . GLU C 1 76 ? -80.406 -83.903 -30.139 1.00 35.95 ? 76 GLU C O 1 +ATOM 2492 C CB . GLU C 1 76 ? -79.543 -85.009 -33.011 1.00 38.79 ? 76 GLU C CB 1 +ATOM 2493 C CG . GLU C 1 76 ? -80.210 -86.288 -32.597 1.00 42.77 ? 76 GLU C CG 1 +ATOM 2494 C CD . GLU C 1 76 ? -80.559 -87.135 -33.809 1.00 45.65 ? 76 GLU C CD 1 +ATOM 2495 O OE1 . GLU C 1 76 ? -79.658 -87.355 -34.652 1.00 46.05 ? 76 GLU C OE1 1 +ATOM 2496 O OE2 . GLU C 1 76 ? -81.721 -87.582 -33.924 1.00 47.86 ? 76 GLU C OE2 1 +ATOM 2497 N N . LEU C 1 77 ? -79.933 -82.156 -31.485 1.00 32.21 ? 77 LEU C N 1 +ATOM 2498 C CA . LEU C 1 77 ? -80.827 -81.218 -30.822 1.00 28.38 ? 77 LEU C CA 1 +ATOM 2499 C C . LEU C 1 77 ? -81.730 -80.549 -31.843 1.00 26.66 ? 77 LEU C C 1 +ATOM 2500 O O . LEU C 1 77 ? -81.329 -80.320 -32.984 1.00 26.72 ? 77 LEU C O 1 +ATOM 2501 C CB . LEU C 1 77 ? -80.021 -80.126 -30.138 1.00 27.55 ? 77 LEU C CB 1 +ATOM 2502 C CG . LEU C 1 77 ? -78.982 -80.526 -29.106 1.00 26.55 ? 77 LEU C CG 1 +ATOM 2503 C CD1 . LEU C 1 77 ? -78.186 -79.289 -28.713 1.00 24.78 ? 77 LEU C CD1 1 +ATOM 2504 C CD2 . LEU C 1 77 ? -79.677 -81.151 -27.902 1.00 25.97 ? 77 LEU C CD2 1 +ATOM 2505 N N . PRO C 1 78 ? -82.968 -80.228 -31.450 1.00 25.09 ? 78 PRO C N 1 +ATOM 2506 C CA . PRO C 1 78 ? -83.888 -79.570 -32.379 1.00 24.19 ? 78 PRO C CA 1 +ATOM 2507 C C . PRO C 1 78 ? -83.445 -78.113 -32.414 1.00 24.02 ? 78 PRO C C 1 +ATOM 2508 O O . PRO C 1 78 ? -83.313 -77.476 -31.359 1.00 23.69 ? 78 PRO C O 1 +ATOM 2509 C CB . PRO C 1 78 ? -85.241 -79.720 -31.695 1.00 24.12 ? 78 PRO C CB 1 +ATOM 2510 C CG . PRO C 1 78 ? -85.044 -80.853 -30.739 1.00 25.53 ? 78 PRO C CG 1 +ATOM 2511 C CD . PRO C 1 78 ? -83.669 -80.607 -30.218 1.00 25.41 ? 78 PRO C CD 1 +ATOM 2512 N N . VAL C 1 79 ? -83.190 -77.587 -33.608 1.00 23.08 ? 79 VAL C N 1 +ATOM 2513 C CA . VAL C 1 79 ? -82.755 -76.200 -33.716 1.00 22.67 ? 79 VAL C CA 1 +ATOM 2514 C C . VAL C 1 79 ? -83.347 -75.526 -34.941 1.00 23.33 ? 79 VAL C C 1 +ATOM 2515 O O . VAL C 1 79 ? -84.132 -76.122 -35.686 1.00 23.50 ? 79 VAL C O 1 +ATOM 2516 C CB . VAL C 1 79 ? -81.208 -76.083 -33.815 1.00 21.20 ? 79 VAL C CB 1 +ATOM 2517 C CG1 . VAL C 1 79 ? -80.546 -76.838 -32.683 1.00 19.88 ? 79 VAL C CG1 1 +ATOM 2518 C CG2 . VAL C 1 79 ? -80.727 -76.599 -35.159 1.00 19.64 ? 79 VAL C CG2 1 +ATOM 2519 N N . ALA C 1 80 ? -82.978 -74.264 -35.124 1.00 22.59 ? 80 ALA C N 1 +ATOM 2520 C CA . ALA C 1 80 ? -83.404 -73.500 -36.278 1.00 21.94 ? 80 ALA C CA 1 +ATOM 2521 C C . ALA C 1 80 ? -82.104 -73.272 -37.060 1.00 22.00 ? 80 ALA C C 1 +ATOM 2522 O O . ALA C 1 80 ? -81.151 -72.684 -36.535 1.00 22.25 ? 80 ALA C O 1 +ATOM 2523 C CB . ALA C 1 80 ? -84.006 -72.183 -35.837 1.00 21.05 ? 80 ALA C CB 1 +ATOM 2524 N N . ALA C 1 81 ? -82.046 -73.778 -38.291 1.00 21.60 ? 81 ALA C N 1 +ATOM 2525 C CA . ALA C 1 81 ? -80.860 -73.614 -39.129 1.00 20.36 ? 81 ALA C CA 1 +ATOM 2526 C C . ALA C 1 81 ? -80.564 -72.121 -39.261 1.00 20.96 ? 81 ALA C C 1 +ATOM 2527 O O . ALA C 1 81 ? -79.408 -71.703 -39.330 1.00 22.05 ? 81 ALA C O 1 +ATOM 2528 C CB . ALA C 1 81 ? -81.100 -74.229 -40.489 1.00 18.69 ? 81 ALA C CB 1 +ATOM 2529 N N . TRP C 1 82 ? -81.628 -71.327 -39.296 1.00 20.79 ? 82 TRP C N 1 +ATOM 2530 C CA . TRP C 1 82 ? -81.542 -69.877 -39.386 1.00 20.30 ? 82 TRP C CA 1 +ATOM 2531 C C . TRP C 1 82 ? -82.943 -69.321 -39.194 1.00 21.01 ? 82 TRP C C 1 +ATOM 2532 O O . TRP C 1 82 ? -83.919 -70.077 -39.114 1.00 21.05 ? 82 TRP C O 1 +ATOM 2533 C CB . TRP C 1 82 ? -80.982 -69.426 -40.740 1.00 20.69 ? 82 TRP C CB 1 +ATOM 2534 C CG . TRP C 1 82 ? -81.527 -70.165 -41.937 1.00 21.22 ? 82 TRP C CG 1 +ATOM 2535 C CD1 . TRP C 1 82 ? -80.928 -71.196 -42.606 1.00 20.61 ? 82 TRP C CD1 1 +ATOM 2536 C CD2 . TRP C 1 82 ? -82.785 -69.942 -42.591 1.00 21.16 ? 82 TRP C CD2 1 +ATOM 2537 N NE1 . TRP C 1 82 ? -81.734 -71.629 -43.634 1.00 21.16 ? 82 TRP C NE1 1 +ATOM 2538 C CE2 . TRP C 1 82 ? -82.881 -70.878 -43.646 1.00 20.33 ? 82 TRP C CE2 1 +ATOM 2539 C CE3 . TRP C 1 82 ? -83.843 -69.046 -42.387 1.00 21.96 ? 82 TRP C CE3 1 +ATOM 2540 C CZ2 . TRP C 1 82 ? -83.992 -70.944 -44.494 1.00 19.49 ? 82 TRP C CZ2 1 +ATOM 2541 C CZ3 . TRP C 1 82 ? -84.954 -69.113 -43.233 1.00 21.14 ? 82 TRP C CZ3 1 +ATOM 2542 C CH2 . TRP C 1 82 ? -85.016 -70.055 -44.272 1.00 20.05 ? 82 TRP C CH2 1 +ATOM 2543 N N . ARG C 1 83 ? -83.040 -68.002 -39.119 1.00 21.58 ? 83 ARG C N 1 +ATOM 2544 C CA . ARG C 1 83 ? -84.327 -67.347 -38.927 1.00 21.25 ? 83 ARG C CA 1 +ATOM 2545 C C . ARG C 1 83 ? -84.474 -66.135 -39.825 1.00 21.74 ? 83 ARG C C 1 +ATOM 2546 O O . ARG C 1 83 ? -83.488 -65.460 -40.158 1.00 22.95 ? 83 ARG C O 1 +ATOM 2547 C CB . ARG C 1 83 ? -84.485 -66.893 -37.473 1.00 20.25 ? 83 ARG C CB 1 +ATOM 2548 C CG . ARG C 1 83 ? -84.766 -68.009 -36.507 1.00 20.94 ? 83 ARG C CG 1 +ATOM 2549 C CD . ARG C 1 83 ? -84.774 -67.536 -35.054 1.00 21.38 ? 83 ARG C CD 1 +ATOM 2550 N NE . ARG C 1 83 ? -85.263 -68.607 -34.183 1.00 23.95 ? 83 ARG C NE 1 +ATOM 2551 C CZ . ARG C 1 83 ? -86.531 -68.745 -33.806 1.00 25.20 ? 83 ARG C CZ 1 +ATOM 2552 N NH1 . ARG C 1 83 ? -87.447 -67.870 -34.203 1.00 26.51 ? 83 ARG C NH1 1 +ATOM 2553 N NH2 . ARG C 1 83 ? -86.894 -69.789 -33.072 1.00 26.36 ? 83 ARG C NH2 1 +ATOM 2554 N N . SER C 1 84 ? -85.712 -65.868 -40.212 1.00 20.73 ? 84 SER C N 1 +ATOM 2555 C CA . SER C 1 84 ? -86.030 -64.712 -41.033 1.00 20.93 ? 84 SER C CA 1 +ATOM 2556 C C . SER C 1 84 ? -86.586 -63.703 -40.027 1.00 20.16 ? 84 SER C C 1 +ATOM 2557 O O . SER C 1 84 ? -87.390 -64.074 -39.167 1.00 20.01 ? 84 SER C O 1 +ATOM 2558 C CB . SER C 1 84 ? -87.088 -65.090 -42.060 1.00 22.22 ? 84 SER C CB 1 +ATOM 2559 O OG . SER C 1 84 ? -87.302 -64.033 -42.964 1.00 25.79 ? 84 SER C OG 1 +ATOM 2560 N N . TYR C 1 85 ? -86.162 -62.444 -40.107 1.00 19.54 ? 85 TYR C N 1 +ATOM 2561 C CA . TYR C 1 85 ? -86.636 -61.449 -39.143 1.00 19.55 ? 85 TYR C CA 1 +ATOM 2562 C C . TYR C 1 85 ? -87.433 -60.284 -39.709 1.00 20.16 ? 85 TYR C C 1 +ATOM 2563 O O . TYR C 1 85 ? -86.900 -59.451 -40.440 1.00 20.36 ? 85 TYR C O 1 +ATOM 2564 C CB . TYR C 1 85 ? -85.461 -60.876 -38.348 1.00 19.49 ? 85 TYR C CB 1 +ATOM 2565 C CG . TYR C 1 85 ? -84.665 -61.893 -37.561 1.00 21.18 ? 85 TYR C CG 1 +ATOM 2566 C CD1 . TYR C 1 85 ? -83.713 -62.700 -38.186 1.00 23.35 ? 85 TYR C CD1 1 +ATOM 2567 C CD2 . TYR C 1 85 ? -84.856 -62.045 -36.190 1.00 21.92 ? 85 TYR C CD2 1 +ATOM 2568 C CE1 . TYR C 1 85 ? -82.969 -63.629 -37.462 1.00 24.31 ? 85 TYR C CE1 1 +ATOM 2569 C CE2 . TYR C 1 85 ? -84.124 -62.971 -35.458 1.00 23.36 ? 85 TYR C CE2 1 +ATOM 2570 C CZ . TYR C 1 85 ? -83.183 -63.758 -36.098 1.00 25.11 ? 85 TYR C CZ 1 +ATOM 2571 O OH . TYR C 1 85 ? -82.445 -64.669 -35.380 1.00 28.10 ? 85 TYR C OH 1 +ATOM 2572 N N . LEU C 1 86 ? -88.709 -60.214 -39.353 1.00 21.00 ? 86 LEU C N 1 +ATOM 2573 C CA . LEU C 1 86 ? -89.551 -59.120 -39.808 1.00 22.54 ? 86 LEU C CA 1 +ATOM 2574 C C . LEU C 1 86 ? -89.639 -58.133 -38.675 1.00 23.67 ? 86 LEU C C 1 +ATOM 2575 O O . LEU C 1 86 ? -90.007 -58.498 -37.558 1.00 24.00 ? 86 LEU C O 1 +ATOM 2576 C CB . LEU C 1 86 ? -90.961 -59.591 -40.150 1.00 22.43 ? 86 LEU C CB 1 +ATOM 2577 C CG . LEU C 1 86 ? -91.950 -58.431 -40.309 1.00 22.42 ? 86 LEU C CG 1 +ATOM 2578 C CD1 . LEU C 1 86 ? -91.469 -57.476 -41.399 1.00 23.49 ? 86 LEU C CD1 1 +ATOM 2579 C CD2 . LEU C 1 86 ? -93.318 -58.974 -40.645 1.00 23.65 ? 86 LEU C CD2 1 +ATOM 2580 N N . ASN C 1 87 ? -89.299 -56.884 -38.962 1.00 25.38 ? 87 ASN C N 1 +ATOM 2581 C CA . ASN C 1 87 ? -89.337 -55.836 -37.956 1.00 27.74 ? 87 ASN C CA 1 +ATOM 2582 C C . ASN C 1 87 ? -90.049 -54.592 -38.507 1.00 27.66 ? 87 ASN C C 1 +ATOM 2583 O O . ASN C 1 87 ? -89.553 -53.951 -39.434 1.00 27.02 ? 87 ASN C O 1 +ATOM 2584 C CB . ASN C 1 87 ? -87.907 -55.498 -37.526 1.00 30.75 ? 87 ASN C CB 1 +ATOM 2585 C CG . ASN C 1 87 ? -87.812 -54.151 -36.847 1.00 38.29 ? 87 ASN C CG 1 +ATOM 2586 O OD1 . ASN C 1 87 ? -88.435 -53.915 -35.802 1.00 42.05 ? 87 ASN C OD1 1 +ATOM 2587 N ND2 . ASN C 1 87 ? -87.034 -53.242 -37.443 1.00 41.67 ? 87 ASN C ND2 1 +ATOM 2588 N N . MET C 1 88 ? -91.213 -54.257 -37.948 1.00 27.62 ? 88 MET C N 1 +ATOM 2589 C CA . MET C 1 88 ? -91.945 -53.092 -38.423 1.00 28.06 ? 88 MET C CA 1 +ATOM 2590 C C . MET C 1 88 ? -92.381 -52.105 -37.353 1.00 27.63 ? 88 MET C C 1 +ATOM 2591 O O . MET C 1 88 ? -92.693 -52.480 -36.234 1.00 26.98 ? 88 MET C O 1 +ATOM 2592 C CB . MET C 1 88 ? -93.158 -53.523 -39.255 1.00 29.74 ? 88 MET C CB 1 +ATOM 2593 C CG . MET C 1 88 ? -94.093 -54.507 -38.592 1.00 32.71 ? 88 MET C CG 1 +ATOM 2594 S SD . MET C 1 88 ? -95.424 -55.023 -39.734 1.00 37.05 ? 88 MET C SD 1 +ATOM 2595 C CE . MET C 1 88 ? -96.767 -53.950 -39.208 1.00 34.78 ? 88 MET C CE 1 +ATOM 2596 N N . GLU C 1 89 ? -92.384 -50.828 -37.722 1.00 27.21 ? 89 GLU C N 1 +ATOM 2597 C CA . GLU C 1 89 ? -92.773 -49.750 -36.833 1.00 26.96 ? 89 GLU C CA 1 +ATOM 2598 C C . GLU C 1 89 ? -93.867 -48.950 -37.499 1.00 26.18 ? 89 GLU C C 1 +ATOM 2599 O O . GLU C 1 89 ? -93.739 -48.554 -38.655 1.00 26.40 ? 89 GLU C O 1 +ATOM 2600 C CB . GLU C 1 89 ? -91.587 -48.844 -36.559 1.00 30.02 ? 89 GLU C CB 1 +ATOM 2601 C CG . GLU C 1 89 ? -90.427 -49.575 -35.950 1.00 38.29 ? 89 GLU C CG 1 +ATOM 2602 C CD . GLU C 1 89 ? -89.479 -48.636 -35.245 1.00 42.36 ? 89 GLU C CD 1 +ATOM 2603 O OE1 . GLU C 1 89 ? -88.974 -47.702 -35.917 1.00 43.85 ? 89 GLU C OE1 1 +ATOM 2604 O OE2 . GLU C 1 89 ? -89.250 -48.834 -34.022 1.00 43.77 ? 89 GLU C OE2 1 +ATOM 2605 N N . LEU C 1 90 ? -94.944 -48.711 -36.768 1.00 24.44 ? 90 LEU C N 1 +ATOM 2606 C CA . LEU C 1 90 ? -96.065 -47.965 -37.305 1.00 22.29 ? 90 LEU C CA 1 +ATOM 2607 C C . LEU C 1 90 ? -96.342 -46.732 -36.452 1.00 22.23 ? 90 LEU C C 1 +ATOM 2608 O O . LEU C 1 90 ? -96.603 -46.850 -35.256 1.00 23.69 ? 90 LEU C O 1 +ATOM 2609 C CB . LEU C 1 90 ? -97.292 -48.872 -37.354 1.00 19.13 ? 90 LEU C CB 1 +ATOM 2610 C CG . LEU C 1 90 ? -98.590 -48.239 -37.837 1.00 18.50 ? 90 LEU C CG 1 +ATOM 2611 C CD1 . LEU C 1 90 ? -98.345 -47.524 -39.161 1.00 19.19 ? 90 LEU C CD1 1 +ATOM 2612 C CD2 . LEU C 1 90 ? -99.657 -49.318 -37.984 1.00 16.92 ? 90 LEU C CD2 1 +ATOM 2613 N N . THR C 1 91 ? -96.277 -45.550 -37.056 1.00 21.63 ? 91 THR C N 1 +ATOM 2614 C CA . THR C 1 91 ? -96.528 -44.314 -36.321 1.00 20.65 ? 91 THR C CA 1 +ATOM 2615 C C . THR C 1 91 ? -97.886 -43.738 -36.664 1.00 21.11 ? 91 THR C C 1 +ATOM 2616 O O . THR C 1 91 ? -98.206 -43.554 -37.838 1.00 21.32 ? 91 THR C O 1 +ATOM 2617 C CB . THR C 1 91 ? -95.500 -43.233 -36.641 1.00 19.46 ? 91 THR C CB 1 +ATOM 2618 O OG1 . THR C 1 91 ? -94.204 -43.667 -36.233 1.00 21.45 ? 91 THR C OG1 1 +ATOM 2619 C CG2 . THR C 1 91 ? -95.836 -41.968 -35.894 1.00 20.61 ? 91 THR C CG2 1 +ATOM 2620 N N . ILE C 1 92 ? -98.675 -43.438 -35.636 1.00 20.67 ? 92 ILE C N 1 +ATOM 2621 C CA . ILE C 1 92 ? -99.998 -42.870 -35.849 1.00 19.32 ? 92 ILE C CA 1 +ATOM 2622 C C . ILE C 1 92 ? -100.265 -41.665 -34.951 1.00 20.23 ? 92 ILE C C 1 +ATOM 2623 O O . ILE C 1 92 ? -100.226 -41.769 -33.725 1.00 19.77 ? 92 ILE C O 1 +ATOM 2624 C CB . ILE C 1 92 ? -101.092 -43.920 -35.609 1.00 16.88 ? 92 ILE C CB 1 +ATOM 2625 C CG1 . ILE C 1 92 ? -100.746 -45.199 -36.369 1.00 16.28 ? 92 ILE C CG1 1 +ATOM 2626 C CG2 . ILE C 1 92 ? -102.440 -43.392 -36.097 1.00 15.71 ? 92 ILE C CG2 1 +ATOM 2627 C CD1 . ILE C 1 92 ? -101.742 -46.322 -36.173 1.00 16.22 ? 92 ILE C CD1 1 +ATOM 2628 N N . PRO C 1 93 ? -100.530 -40.495 -35.560 1.00 21.37 ? 93 PRO C N 1 +ATOM 2629 C CA . PRO C 1 93 ? -100.812 -39.253 -34.828 1.00 21.40 ? 93 PRO C CA 1 +ATOM 2630 C C . PRO C 1 93 ? -102.011 -39.460 -33.908 1.00 22.03 ? 93 PRO C C 1 +ATOM 2631 O O . PRO C 1 93 ? -102.908 -40.252 -34.210 1.00 22.23 ? 93 PRO C O 1 +ATOM 2632 C CB . PRO C 1 93 ? -101.121 -38.256 -35.938 1.00 20.90 ? 93 PRO C CB 1 +ATOM 2633 C CG . PRO C 1 93 ? -100.288 -38.757 -37.075 1.00 22.27 ? 93 PRO C CG 1 +ATOM 2634 C CD . PRO C 1 93 ? -100.501 -40.251 -37.011 1.00 22.21 ? 93 PRO C CD 1 +ATOM 2635 N N . ILE C 1 94 ? -102.038 -38.743 -32.790 1.00 22.01 ? 94 ILE C N 1 +ATOM 2636 C CA . ILE C 1 94 ? -103.136 -38.892 -31.846 1.00 22.25 ? 94 ILE C CA 1 +ATOM 2637 C C . ILE C 1 94 ? -104.441 -38.302 -32.366 1.00 22.05 ? 94 ILE C C 1 +ATOM 2638 O O . ILE C 1 94 ? -105.458 -38.340 -31.672 1.00 22.74 ? 94 ILE C O 1 +ATOM 2639 C CB . ILE C 1 94 ? -102.795 -38.247 -30.494 1.00 22.40 ? 94 ILE C CB 1 +ATOM 2640 C CG1 . ILE C 1 94 ? -102.786 -36.721 -30.618 1.00 22.24 ? 94 ILE C CG1 1 +ATOM 2641 C CG2 . ILE C 1 94 ? -101.429 -38.741 -30.029 1.00 22.62 ? 94 ILE C CG2 1 +ATOM 2642 C CD1 . ILE C 1 94 ? -102.424 -36.015 -29.323 1.00 20.77 ? 94 ILE C CD1 1 +ATOM 2643 N N . PHE C 1 95 ? -104.418 -37.763 -33.582 1.00 21.39 ? 95 PHE C N 1 +ATOM 2644 C CA . PHE C 1 95 ? -105.625 -37.183 -34.168 1.00 21.06 ? 95 PHE C CA 1 +ATOM 2645 C C . PHE C 1 95 ? -106.387 -38.221 -34.972 1.00 20.93 ? 95 PHE C C 1 +ATOM 2646 O O . PHE C 1 95 ? -107.491 -37.951 -35.435 1.00 21.34 ? 95 PHE C O 1 +ATOM 2647 C CB . PHE C 1 95 ? -105.282 -36.006 -35.089 1.00 20.19 ? 95 PHE C CB 1 +ATOM 2648 C CG . PHE C 1 95 ? -104.417 -34.977 -34.446 1.00 21.62 ? 95 PHE C CG 1 +ATOM 2649 C CD1 . PHE C 1 95 ? -104.934 -34.126 -33.476 1.00 21.60 ? 95 PHE C CD1 1 +ATOM 2650 C CD2 . PHE C 1 95 ? -103.070 -34.897 -34.755 1.00 22.01 ? 95 PHE C CD2 1 +ATOM 2651 C CE1 . PHE C 1 95 ? -104.116 -33.217 -32.817 1.00 20.28 ? 95 PHE C CE1 1 +ATOM 2652 C CE2 . PHE C 1 95 ? -102.243 -33.988 -34.101 1.00 22.37 ? 95 PHE C CE2 1 +ATOM 2653 C CZ . PHE C 1 95 ? -102.769 -33.150 -33.130 1.00 20.37 ? 95 PHE C CZ 1 +ATOM 2654 N N . ALA C 1 96 ? -105.801 -39.404 -35.139 1.00 20.40 ? 96 ALA C N 1 +ATOM 2655 C CA . ALA C 1 96 ? -106.439 -40.458 -35.923 1.00 20.81 ? 96 ALA C CA 1 +ATOM 2656 C C . ALA C 1 96 ? -107.639 -41.055 -35.213 1.00 21.84 ? 96 ALA C C 1 +ATOM 2657 O O . ALA C 1 96 ? -107.527 -41.549 -34.092 1.00 22.73 ? 96 ALA C O 1 +ATOM 2658 C CB . ALA C 1 96 ? -105.432 -41.557 -36.246 1.00 21.16 ? 96 ALA C CB 1 +ATOM 2659 N N . THR C 1 97 ? -108.787 -41.006 -35.872 1.00 22.11 ? 97 THR C N 1 +ATOM 2660 C CA . THR C 1 97 ? -110.006 -41.566 -35.311 1.00 24.02 ? 97 THR C CA 1 +ATOM 2661 C C . THR C 1 97 ? -109.970 -43.064 -35.580 1.00 25.55 ? 97 THR C C 1 +ATOM 2662 O O . THR C 1 97 ? -109.034 -43.565 -36.201 1.00 26.47 ? 97 THR C O 1 +ATOM 2663 C CB . THR C 1 97 ? -111.235 -40.979 -36.002 1.00 24.43 ? 97 THR C CB 1 +ATOM 2664 O OG1 . THR C 1 97 ? -111.293 -41.458 -37.353 1.00 25.64 ? 97 THR C OG1 1 +ATOM 2665 C CG2 . THR C 1 97 ? -111.148 -39.460 -36.030 1.00 24.71 ? 97 THR C CG2 1 +ATOM 2666 N N . ASN C 1 98 ? -110.980 -43.794 -35.127 1.00 26.99 ? 98 ASN C N 1 +ATOM 2667 C CA . ASN C 1 98 ? -110.991 -45.228 -35.376 1.00 28.55 ? 98 ASN C CA 1 +ATOM 2668 C C . ASN C 1 98 ? -111.142 -45.479 -36.873 1.00 28.90 ? 98 ASN C C 1 +ATOM 2669 O O . ASN C 1 98 ? -110.635 -46.473 -37.388 1.00 29.94 ? 98 ASN C O 1 +ATOM 2670 C CB . ASN C 1 98 ? -112.117 -45.905 -34.595 1.00 30.88 ? 98 ASN C CB 1 +ATOM 2671 C CG . ASN C 1 98 ? -111.751 -46.147 -33.131 1.00 33.06 ? 98 ASN C CG 1 +ATOM 2672 O OD1 . ASN C 1 98 ? -110.895 -45.461 -32.562 1.00 35.37 ? 98 ASN C OD1 1 +ATOM 2673 N ND2 . ASN C 1 98 ? -112.411 -47.122 -32.514 1.00 32.43 ? 98 ASN C ND2 1 +ATOM 2674 N N . SER C 1 99 ? -111.822 -44.576 -37.576 1.00 28.71 ? 99 SER C N 1 +ATOM 2675 C CA . SER C 1 99 ? -111.993 -44.724 -39.021 1.00 28.56 ? 99 SER C CA 1 +ATOM 2676 C C . SER C 1 99 ? -110.637 -44.606 -39.696 1.00 28.58 ? 99 SER C C 1 +ATOM 2677 O O . SER C 1 99 ? -110.303 -45.386 -40.594 1.00 29.08 ? 99 SER C O 1 +ATOM 2678 C CB . SER C 1 99 ? -112.905 -43.637 -39.580 1.00 28.98 ? 99 SER C CB 1 +ATOM 2679 O OG . SER C 1 99 ? -114.201 -43.721 -39.019 1.00 33.17 ? 99 SER C OG 1 +ATOM 2680 N N . ASP C 1 100 ? -109.854 -43.620 -39.263 1.00 27.29 ? 100 ASP C N 1 +ATOM 2681 C CA . ASP C 1 100 ? -108.537 -43.408 -39.836 1.00 26.90 ? 100 ASP C CA 1 +ATOM 2682 C C . ASP C 1 100 ? -107.659 -44.636 -39.626 1.00 27.22 ? 100 ASP C C 1 +ATOM 2683 O O . ASP C 1 100 ? -106.917 -45.036 -40.520 1.00 27.87 ? 100 ASP C O 1 +ATOM 2684 C CB . ASP C 1 100 ? -107.870 -42.180 -39.217 1.00 27.31 ? 100 ASP C CB 1 +ATOM 2685 C CG . ASP C 1 100 ? -108.662 -40.908 -39.449 1.00 28.73 ? 100 ASP C CG 1 +ATOM 2686 O OD1 . ASP C 1 100 ? -109.339 -40.814 -40.492 1.00 29.37 ? 100 ASP C OD1 1 +ATOM 2687 O OD2 . ASP C 1 100 ? -108.599 -39.996 -38.598 1.00 30.43 ? 100 ASP C OD2 1 +ATOM 2688 N N . CYS C 1 101 ? -107.754 -45.237 -38.445 1.00 26.09 ? 101 CYS C N 1 +ATOM 2689 C CA . CYS C 1 101 ? -106.949 -46.408 -38.135 1.00 25.07 ? 101 CYS C CA 1 +ATOM 2690 C C . CYS C 1 101 ? -107.350 -47.600 -38.982 1.00 25.39 ? 101 CYS C C 1 +ATOM 2691 O O . CYS C 1 101 ? -106.501 -48.350 -39.456 1.00 25.55 ? 101 CYS C O 1 +ATOM 2692 C CB . CYS C 1 101 ? -107.078 -46.740 -36.657 1.00 24.05 ? 101 CYS C CB 1 +ATOM 2693 S SG . CYS C 1 101 ? -106.321 -45.475 -35.630 1.00 25.95 ? 101 CYS C SG 1 +ATOM 2694 N N . GLU C 1 102 ? -108.647 -47.775 -39.170 1.00 25.46 ? 102 GLU C N 1 +ATOM 2695 C CA . GLU C 1 102 ? -109.130 -48.883 -39.972 1.00 25.14 ? 102 GLU C CA 1 +ATOM 2696 C C . GLU C 1 102 ? -108.570 -48.782 -41.378 1.00 24.42 ? 102 GLU C C 1 +ATOM 2697 O O . GLU C 1 102 ? -108.275 -49.796 -42.007 1.00 24.81 ? 102 GLU C O 1 +ATOM 2698 C CB . GLU C 1 102 ? -110.653 -48.877 -39.996 1.00 26.09 ? 102 GLU C CB 1 +ATOM 2699 C CG . GLU C 1 102 ? -111.250 -49.398 -38.709 1.00 32.05 ? 102 GLU C CG 1 +ATOM 2700 C CD . GLU C 1 102 ? -112.739 -49.143 -38.599 1.00 35.40 ? 102 GLU C CD 1 +ATOM 2701 O OE1 . GLU C 1 102 ? -113.410 -49.087 -39.656 1.00 36.20 ? 102 GLU C OE1 1 +ATOM 2702 O OE2 . GLU C 1 102 ? -113.236 -49.015 -37.454 1.00 38.16 ? 102 GLU C OE2 1 +ATOM 2703 N N . LEU C 1 103 ? -108.408 -47.554 -41.859 1.00 23.44 ? 103 LEU C N 1 +ATOM 2704 C CA . LEU C 1 103 ? -107.877 -47.317 -43.198 1.00 22.22 ? 103 LEU C CA 1 +ATOM 2705 C C . LEU C 1 103 ? -106.407 -47.721 -43.225 1.00 21.85 ? 103 LEU C C 1 +ATOM 2706 O O . LEU C 1 103 ? -105.943 -48.366 -44.159 1.00 21.98 ? 103 LEU C O 1 +ATOM 2707 C CB . LEU C 1 103 ? -108.017 -45.840 -43.554 1.00 22.87 ? 103 LEU C CB 1 +ATOM 2708 C CG . LEU C 1 103 ? -107.941 -45.442 -45.025 1.00 23.50 ? 103 LEU C CG 1 +ATOM 2709 C CD1 . LEU C 1 103 ? -109.167 -45.948 -45.754 1.00 23.65 ? 103 LEU C CD1 1 +ATOM 2710 C CD2 . LEU C 1 103 ? -107.868 -43.927 -45.137 1.00 25.54 ? 103 LEU C CD2 1 +ATOM 2711 N N . ILE C 1 104 ? -105.676 -47.340 -42.184 1.00 21.22 ? 104 ILE C N 1 +ATOM 2712 C CA . ILE C 1 104 ? -104.268 -47.673 -42.077 1.00 19.92 ? 104 ILE C CA 1 +ATOM 2713 C C . ILE C 1 104 ? -104.079 -49.183 -42.077 1.00 20.28 ? 104 ILE C C 1 +ATOM 2714 O O . ILE C 1 104 ? -103.096 -49.689 -42.615 1.00 20.37 ? 104 ILE C O 1 +ATOM 2715 C CB . ILE C 1 104 ? -103.675 -47.081 -40.799 1.00 19.82 ? 104 ILE C CB 1 +ATOM 2716 C CG1 . ILE C 1 104 ? -103.761 -45.551 -40.870 1.00 18.85 ? 104 ILE C CG1 1 +ATOM 2717 C CG2 . ILE C 1 104 ? -102.244 -47.561 -40.610 1.00 19.48 ? 104 ILE C CG2 1 +ATOM 2718 C CD1 . ILE C 1 104 ? -103.280 -44.829 -39.637 1.00 16.73 ? 104 ILE C CD1 1 +ATOM 2719 N N . VAL C 1 105 ? -105.018 -49.913 -41.481 1.00 20.05 ? 105 VAL C N 1 +ATOM 2720 C CA . VAL C 1 105 ? -104.902 -51.367 -41.463 1.00 19.86 ? 105 VAL C CA 1 +ATOM 2721 C C . VAL C 1 105 ? -105.171 -51.939 -42.850 1.00 20.83 ? 105 VAL C C 1 +ATOM 2722 O O . VAL C 1 105 ? -104.476 -52.852 -43.287 1.00 22.37 ? 105 VAL C O 1 +ATOM 2723 C CB . VAL C 1 105 ? -105.857 -52.017 -40.436 1.00 17.96 ? 105 VAL C CB 1 +ATOM 2724 C CG1 . VAL C 1 105 ? -105.835 -53.521 -40.596 1.00 16.24 ? 105 VAL C CG1 1 +ATOM 2725 C CG2 . VAL C 1 105 ? -105.414 -51.674 -39.025 1.00 17.33 ? 105 VAL C CG2 1 +ATOM 2726 N N . LYS C 1 106 ? -106.164 -51.402 -43.553 1.00 21.22 ? 106 LYS C N 1 +ATOM 2727 C CA . LYS C 1 106 ? -106.462 -51.882 -44.900 1.00 22.46 ? 106 LYS C CA 1 +ATOM 2728 C C . LYS C 1 106 ? -105.294 -51.616 -45.844 1.00 22.78 ? 106 LYS C C 1 +ATOM 2729 O O . LYS C 1 106 ? -105.098 -52.339 -46.820 1.00 22.85 ? 106 LYS C O 1 +ATOM 2730 C CB . LYS C 1 106 ? -107.712 -51.201 -45.449 1.00 23.96 ? 106 LYS C CB 1 +ATOM 2731 C CG . LYS C 1 106 ? -108.965 -51.596 -44.724 1.00 27.32 ? 106 LYS C CG 1 +ATOM 2732 C CD . LYS C 1 106 ? -110.186 -51.000 -45.377 1.00 30.91 ? 106 LYS C CD 1 +ATOM 2733 C CE . LYS C 1 106 ? -111.453 -51.532 -44.726 1.00 34.69 ? 106 LYS C CE 1 +ATOM 2734 N NZ . LYS C 1 106 ? -112.669 -50.927 -45.343 1.00 38.97 ? 106 LYS C NZ 1 +ATOM 2735 N N . ALA C 1 107 ? -104.522 -50.577 -45.557 1.00 22.78 ? 107 ALA C N 1 +ATOM 2736 C CA . ALA C 1 107 ? -103.382 -50.251 -46.397 1.00 22.86 ? 107 ALA C CA 1 +ATOM 2737 C C . ALA C 1 107 ? -102.333 -51.328 -46.186 1.00 23.03 ? 107 ALA C C 1 +ATOM 2738 O O . ALA C 1 107 ? -101.678 -51.759 -47.131 1.00 22.79 ? 107 ALA C O 1 +ATOM 2739 C CB . ALA C 1 107 ? -102.824 -48.884 -46.030 1.00 22.43 ? 107 ALA C CB 1 +ATOM 2740 N N . MET C 1 108 ? -102.185 -51.777 -44.943 1.00 23.37 ? 108 MET C N 1 +ATOM 2741 C CA . MET C 1 108 ? -101.206 -52.812 -44.646 1.00 24.28 ? 108 MET C CA 1 +ATOM 2742 C C . MET C 1 108 ? -101.607 -54.152 -45.232 1.00 23.57 ? 108 MET C C 1 +ATOM 2743 O O . MET C 1 108 ? -100.764 -54.884 -45.748 1.00 24.19 ? 108 MET C O 1 +ATOM 2744 C CB . MET C 1 108 ? -101.012 -52.947 -43.143 1.00 25.81 ? 108 MET C CB 1 +ATOM 2745 C CG . MET C 1 108 ? -100.192 -51.826 -42.546 1.00 28.18 ? 108 MET C CG 1 +ATOM 2746 S SD . MET C 1 108 ? -100.024 -52.041 -40.783 1.00 30.95 ? 108 MET C SD 1 +ATOM 2747 C CE . MET C 1 108 ? -101.561 -51.386 -40.269 1.00 31.13 ? 108 MET C CE 1 +ATOM 2748 N N . GLN C 1 109 ? -102.893 -54.476 -45.163 1.00 22.24 ? 109 GLN C N 1 +ATOM 2749 C CA . GLN C 1 109 ? -103.373 -55.738 -45.706 1.00 20.71 ? 109 GLN C CA 1 +ATOM 2750 C C . GLN C 1 109 ? -103.264 -55.719 -47.232 1.00 21.19 ? 109 GLN C C 1 +ATOM 2751 O O . GLN C 1 109 ? -102.881 -56.714 -47.846 1.00 21.62 ? 109 GLN C O 1 +ATOM 2752 C CB . GLN C 1 109 ? -104.820 -55.972 -45.284 1.00 19.78 ? 109 GLN C CB 1 +ATOM 2753 C CG . GLN C 1 109 ? -105.042 -55.878 -43.787 1.00 21.10 ? 109 GLN C CG 1 +ATOM 2754 C CD . GLN C 1 109 ? -106.475 -56.149 -43.402 1.00 22.00 ? 109 GLN C CD 1 +ATOM 2755 O OE1 . GLN C 1 109 ? -107.399 -55.621 -44.015 1.00 24.71 ? 109 GLN C OE1 1 +ATOM 2756 N NE2 . GLN C 1 109 ? -106.673 -56.970 -42.379 1.00 22.40 ? 109 GLN C NE2 1 +ATOM 2757 N N . GLY C 1 110 ? -103.599 -54.583 -47.839 1.00 20.97 ? 110 GLY C N 1 +ATOM 2758 C CA . GLY C 1 110 ? -103.510 -54.472 -49.285 1.00 20.73 ? 110 GLY C CA 1 +ATOM 2759 C C . GLY C 1 110 ? -102.071 -54.566 -49.767 1.00 21.55 ? 110 GLY C C 1 +ATOM 2760 O O . GLY C 1 110 ? -101.787 -55.155 -50.806 1.00 21.64 ? 110 GLY C O 1 +ATOM 2761 N N . LEU C 1 111 ? -101.154 -53.985 -49.006 1.00 22.22 ? 111 LEU C N 1 +ATOM 2762 C CA . LEU C 1 111 ? -99.743 -54.012 -49.364 1.00 22.37 ? 111 LEU C CA 1 +ATOM 2763 C C . LEU C 1 111 ? -99.220 -55.439 -49.512 1.00 23.23 ? 111 LEU C C 1 +ATOM 2764 O O . LEU C 1 111 ? -98.330 -55.702 -50.322 1.00 24.44 ? 111 LEU C O 1 +ATOM 2765 C CB . LEU C 1 111 ? -98.928 -53.299 -48.283 1.00 21.74 ? 111 LEU C CB 1 +ATOM 2766 C CG . LEU C 1 111 ? -97.404 -53.380 -48.371 1.00 21.37 ? 111 LEU C CG 1 +ATOM 2767 C CD1 . LEU C 1 111 ? -96.906 -52.461 -49.465 1.00 20.01 ? 111 LEU C CD1 1 +ATOM 2768 C CD2 . LEU C 1 111 ? -96.796 -52.973 -47.040 1.00 23.22 ? 111 LEU C CD2 1 +ATOM 2769 N N . LEU C 1 112 ? -99.783 -56.357 -48.735 1.00 23.41 ? 112 LEU C N 1 +ATOM 2770 C CA . LEU C 1 112 ? -99.325 -57.742 -48.737 1.00 23.15 ? 112 LEU C CA 1 +ATOM 2771 C C . LEU C 1 112 ? -100.254 -58.750 -49.390 1.00 22.70 ? 112 LEU C C 1 +ATOM 2772 O O . LEU C 1 112 ? -99.998 -59.952 -49.344 1.00 23.11 ? 112 LEU C O 1 +ATOM 2773 C CB . LEU C 1 112 ? -99.045 -58.179 -47.297 1.00 22.46 ? 112 LEU C CB 1 +ATOM 2774 C CG . LEU C 1 112 ? -97.998 -57.332 -46.577 1.00 23.62 ? 112 LEU C CG 1 +ATOM 2775 C CD1 . LEU C 1 112 ? -98.056 -57.595 -45.078 1.00 23.85 ? 112 LEU C CD1 1 +ATOM 2776 C CD2 . LEU C 1 112 ? -96.618 -57.639 -47.154 1.00 22.86 ? 112 LEU C CD2 1 +ATOM 2777 N N . LYS C 1 113 ? -101.334 -58.278 -49.996 1.00 22.02 ? 113 LYS C N 1 +ATOM 2778 C CA . LYS C 1 113 ? -102.271 -59.191 -50.632 1.00 21.65 ? 113 LYS C CA 1 +ATOM 2779 C C . LYS C 1 113 ? -101.629 -60.018 -51.747 1.00 22.50 ? 113 LYS C C 1 +ATOM 2780 O O . LYS C 1 113 ? -100.731 -59.544 -52.452 1.00 22.86 ? 113 LYS C O 1 +ATOM 2781 C CB . LYS C 1 113 ? -103.444 -58.415 -51.205 1.00 21.28 ? 113 LYS C CB 1 +ATOM 2782 C CG . LYS C 1 113 ? -104.452 -59.311 -51.855 1.00 23.75 ? 113 LYS C CG 1 +ATOM 2783 C CD . LYS C 1 113 ? -105.688 -58.556 -52.263 1.00 26.72 ? 113 LYS C CD 1 +ATOM 2784 C CE . LYS C 1 113 ? -106.725 -59.513 -52.814 1.00 29.12 ? 113 LYS C CE 1 +ATOM 2785 N NZ . LYS C 1 113 ? -107.953 -58.795 -53.258 1.00 32.02 ? 113 LYS C NZ 1 +ATOM 2786 N N . ASP C 1 114 ? -102.093 -61.255 -51.912 1.00 22.72 ? 114 ASP C N 1 +ATOM 2787 C CA . ASP C 1 114 ? -101.560 -62.127 -52.957 1.00 23.57 ? 114 ASP C CA 1 +ATOM 2788 C C . ASP C 1 114 ? -101.664 -61.508 -54.339 1.00 23.57 ? 114 ASP C C 1 +ATOM 2789 O O . ASP C 1 114 ? -102.716 -61.006 -54.727 1.00 24.51 ? 114 ASP C O 1 +ATOM 2790 C CB . ASP C 1 114 ? -102.290 -63.465 -52.988 1.00 25.16 ? 114 ASP C CB 1 +ATOM 2791 C CG . ASP C 1 114 ? -101.696 -64.471 -52.038 1.00 29.22 ? 114 ASP C CG 1 +ATOM 2792 O OD1 . ASP C 1 114 ? -100.496 -64.336 -51.695 1.00 30.50 ? 114 ASP C OD1 1 +ATOM 2793 O OD2 . ASP C 1 114 ? -102.428 -65.410 -51.649 1.00 32.48 ? 114 ASP C OD2 1 +ATOM 2794 N N . GLY C 1 115 ? -100.569 -61.549 -55.086 1.00 23.42 ? 115 GLY C N 1 +ATOM 2795 C CA . GLY C 1 115 ? -100.596 -60.996 -56.424 1.00 23.10 ? 115 GLY C CA 1 +ATOM 2796 C C . GLY C 1 115 ? -100.010 -59.603 -56.539 1.00 23.40 ? 115 GLY C C 1 +ATOM 2797 O O . GLY C 1 115 ? -99.599 -59.197 -57.629 1.00 24.02 ? 115 GLY C O 1 +ATOM 2798 N N . ASN C 1 116 ? -99.970 -58.865 -55.433 1.00 22.14 ? 116 ASN C N 1 +ATOM 2799 C CA . ASN C 1 116 ? -99.428 -57.521 -55.483 1.00 20.40 ? 116 ASN C CA 1 +ATOM 2800 C C . ASN C 1 116 ? -97.905 -57.546 -55.540 1.00 20.07 ? 116 ASN C C 1 +ATOM 2801 O O . ASN C 1 116 ? -97.278 -58.507 -55.107 1.00 19.60 ? 116 ASN C O 1 +ATOM 2802 C CB . ASN C 1 116 ? -99.939 -56.708 -54.294 1.00 20.79 ? 116 ASN C CB 1 +ATOM 2803 C CG . ASN C 1 116 ? -101.400 -56.312 -54.457 1.00 21.76 ? 116 ASN C CG 1 +ATOM 2804 O OD1 . ASN C 1 116 ? -101.991 -56.536 -55.514 1.00 21.92 ? 116 ASN C OD1 1 +ATOM 2805 N ND2 . ASN C 1 116 ? -101.984 -55.714 -53.424 1.00 21.74 ? 116 ASN C ND2 1 +ATOM 2806 N N . PRO C 1 117 ? -97.291 -56.488 -56.093 1.00 20.45 ? 117 PRO C N 1 +ATOM 2807 C CA . PRO C 1 117 ? -95.837 -56.378 -56.227 1.00 19.90 ? 117 PRO C CA 1 +ATOM 2808 C C . PRO C 1 117 ? -94.970 -56.865 -55.071 1.00 19.81 ? 117 PRO C C 1 +ATOM 2809 O O . PRO C 1 117 ? -94.239 -57.842 -55.221 1.00 20.10 ? 117 PRO C O 1 +ATOM 2810 C CB . PRO C 1 117 ? -95.639 -54.896 -56.519 1.00 20.05 ? 117 PRO C CB 1 +ATOM 2811 C CG . PRO C 1 117 ? -96.821 -54.592 -57.363 1.00 20.25 ? 117 PRO C CG 1 +ATOM 2812 C CD . PRO C 1 117 ? -97.943 -55.260 -56.587 1.00 20.63 ? 117 PRO C CD 1 +ATOM 2813 N N . ILE C 1 118 ? -95.045 -56.197 -53.926 1.00 19.57 ? 118 ILE C N 1 +ATOM 2814 C CA . ILE C 1 118 ? -94.213 -56.572 -52.790 1.00 19.80 ? 118 ILE C CA 1 +ATOM 2815 C C . ILE C 1 118 ? -94.273 -58.041 -52.351 1.00 20.51 ? 118 ILE C C 1 +ATOM 2816 O O . ILE C 1 118 ? -93.239 -58.713 -52.304 1.00 18.83 ? 118 ILE C O 1 +ATOM 2817 C CB . ILE C 1 118 ? -94.491 -55.659 -51.562 1.00 20.03 ? 118 ILE C CB 1 +ATOM 2818 C CG1 . ILE C 1 118 ? -93.900 -54.267 -51.797 1.00 19.64 ? 118 ILE C CG1 1 +ATOM 2819 C CG2 . ILE C 1 118 ? -93.857 -56.244 -50.305 1.00 20.47 ? 118 ILE C CG2 1 +ATOM 2820 C CD1 . ILE C 1 118 ? -94.670 -53.411 -52.761 1.00 19.13 ? 118 ILE C CD1 1 +ATOM 2821 N N . PRO C 1 119 ? -95.472 -58.562 -52.035 1.00 21.11 ? 119 PRO C N 1 +ATOM 2822 C CA . PRO C 1 119 ? -95.568 -59.958 -51.605 1.00 21.20 ? 119 PRO C CA 1 +ATOM 2823 C C . PRO C 1 119 ? -95.112 -60.971 -52.633 1.00 22.38 ? 119 PRO C C 1 +ATOM 2824 O O . PRO C 1 119 ? -94.566 -62.015 -52.283 1.00 24.17 ? 119 PRO C O 1 +ATOM 2825 C CB . PRO C 1 119 ? -97.042 -60.112 -51.243 1.00 19.24 ? 119 PRO C CB 1 +ATOM 2826 C CG . PRO C 1 119 ? -97.708 -59.190 -52.169 1.00 21.06 ? 119 PRO C CG 1 +ATOM 2827 C CD . PRO C 1 119 ? -96.811 -57.961 -52.140 1.00 21.44 ? 119 PRO C CD 1 +ATOM 2828 N N . SER C 1 120 ? -95.319 -60.687 -53.907 1.00 23.56 ? 120 SER C N 1 +ATOM 2829 C CA . SER C 1 120 ? -94.891 -61.646 -54.909 1.00 25.39 ? 120 SER C CA 1 +ATOM 2830 C C . SER C 1 120 ? -93.403 -61.516 -55.242 1.00 25.25 ? 120 SER C C 1 +ATOM 2831 O O . SER C 1 120 ? -92.815 -62.416 -55.832 1.00 26.70 ? 120 SER C O 1 +ATOM 2832 C CB . SER C 1 120 ? -95.758 -61.525 -56.165 1.00 25.99 ? 120 SER C CB 1 +ATOM 2833 O OG . SER C 1 120 ? -95.897 -60.181 -56.561 1.00 27.82 ? 120 SER C OG 1 +ATOM 2834 N N . ALA C 1 121 ? -92.787 -60.406 -54.854 1.00 25.31 ? 121 ALA C N 1 +ATOM 2835 C CA . ALA C 1 121 ? -91.365 -60.217 -55.113 1.00 25.21 ? 121 ALA C CA 1 +ATOM 2836 C C . ALA C 1 121 ? -90.617 -61.000 -54.051 1.00 25.95 ? 121 ALA C C 1 +ATOM 2837 O O . ALA C 1 121 ? -89.635 -61.679 -54.335 1.00 26.72 ? 121 ALA C O 1 +ATOM 2838 C CB . ALA C 1 121 ? -91.004 -58.749 -55.025 1.00 23.63 ? 121 ALA C CB 1 +ATOM 2839 N N . ILE C 1 122 ? -91.106 -60.897 -52.821 1.00 26.39 ? 122 ILE C N 1 +ATOM 2840 C CA . ILE C 1 122 ? -90.516 -61.575 -51.674 1.00 26.03 ? 122 ILE C CA 1 +ATOM 2841 C C . ILE C 1 122 ? -90.633 -63.081 -51.839 1.00 27.01 ? 122 ILE C C 1 +ATOM 2842 O O . ILE C 1 122 ? -89.665 -63.818 -51.652 1.00 27.78 ? 122 ILE C O 1 +ATOM 2843 C CB . ILE C 1 122 ? -91.249 -61.169 -50.363 1.00 25.21 ? 122 ILE C CB 1 +ATOM 2844 C CG1 . ILE C 1 122 ? -91.056 -59.672 -50.104 1.00 24.31 ? 122 ILE C CG1 1 +ATOM 2845 C CG2 . ILE C 1 122 ? -90.754 -62.008 -49.195 1.00 22.96 ? 122 ILE C CG2 1 +ATOM 2846 C CD1 . ILE C 1 122 ? -91.897 -59.131 -48.985 1.00 22.85 ? 122 ILE C CD1 1 +ATOM 2847 N N . ALA C 1 123 ? -91.829 -63.527 -52.197 1.00 26.86 ? 123 ALA C N 1 +ATOM 2848 C CA . ALA C 1 123 ? -92.106 -64.948 -52.365 1.00 26.87 ? 123 ALA C CA 1 +ATOM 2849 C C . ALA C 1 123 ? -91.241 -65.623 -53.423 1.00 27.05 ? 123 ALA C C 1 +ATOM 2850 O O . ALA C 1 123 ? -91.242 -66.847 -53.544 1.00 28.12 ? 123 ALA C O 1 +ATOM 2851 C CB . ALA C 1 123 ? -93.573 -65.140 -52.706 1.00 26.16 ? 123 ALA C CB 1 +ATOM 2852 N N . ALA C 1 124 ? -90.502 -64.824 -54.182 1.00 26.08 ? 124 ALA C N 1 +ATOM 2853 C CA . ALA C 1 124 ? -89.665 -65.359 -55.242 1.00 25.06 ? 124 ALA C CA 1 +ATOM 2854 C C . ALA C 1 124 ? -88.219 -64.881 -55.161 1.00 26.35 ? 124 ALA C C 1 +ATOM 2855 O O . ALA C 1 124 ? -87.571 -64.692 -56.188 1.00 26.81 ? 124 ALA C O 1 +ATOM 2856 C CB . ALA C 1 124 ? -90.259 -64.985 -56.582 1.00 21.97 ? 124 ALA C CB 1 +ATOM 2857 N N . ASN C 1 125 ? -87.710 -64.679 -53.949 1.00 27.15 ? 125 ASN C N 1 +ATOM 2858 C CA . ASN C 1 125 ? -86.338 -64.228 -53.793 1.00 27.58 ? 125 ASN C CA 1 +ATOM 2859 C C . ASN C 1 125 ? -86.008 -63.115 -54.779 1.00 27.18 ? 125 ASN C C 1 +ATOM 2860 O O . ASN C 1 125 ? -84.874 -63.022 -55.229 1.00 27.54 ? 125 ASN C O 1 +ATOM 2861 C CB . ASN C 1 125 ? -85.374 -65.381 -54.056 1.00 29.12 ? 125 ASN C CB 1 +ATOM 2862 C CG . ASN C 1 125 ? -85.121 -66.223 -52.836 1.00 31.47 ? 125 ASN C CG 1 +ATOM 2863 O OD1 . ASN C 1 125 ? -84.648 -65.720 -51.815 1.00 33.91 ? 125 ASN C OD1 1 +ATOM 2864 N ND2 . ASN C 1 125 ? -85.427 -67.516 -52.930 1.00 31.10 ? 125 ASN C ND2 1 +ATOM 2865 N N . SER C 1 126 ? -86.980 -62.276 -55.125 1.00 26.42 ? 126 SER C N 1 +ATOM 2866 C CA . SER C 1 126 ? -86.720 -61.213 -56.093 1.00 25.93 ? 126 SER C CA 1 +ATOM 2867 C C . SER C 1 126 ? -86.930 -59.815 -55.542 1.00 25.59 ? 126 SER C C 1 +ATOM 2868 O O . SER C 1 126 ? -87.269 -59.633 -54.373 1.00 26.81 ? 126 SER C O 1 +ATOM 2869 C CB . SER C 1 126 ? -87.611 -61.389 -57.322 1.00 25.99 ? 126 SER C CB 1 +ATOM 2870 O OG . SER C 1 126 ? -87.475 -62.684 -57.877 1.00 28.70 ? 126 SER C OG 1 +ATOM 2871 N N . GLY C 1 127 ? -86.716 -58.829 -56.408 1.00 24.15 ? 127 GLY C N 1 +ATOM 2872 C CA . GLY C 1 127 ? -86.906 -57.443 -56.040 1.00 23.99 ? 127 GLY C CA 1 +ATOM 2873 C C . GLY C 1 127 ? -87.904 -56.874 -57.029 1.00 25.41 ? 127 GLY C C 1 +ATOM 2874 O O . GLY C 1 127 ? -88.689 -57.622 -57.626 1.00 25.05 ? 127 GLY C O 1 +ATOM 2875 N N . ILE C 1 128 ? -87.887 -55.563 -57.218 1.00 26.20 ? 128 ILE C N 1 +ATOM 2876 C CA . ILE C 1 128 ? -88.802 -54.942 -58.165 1.00 26.73 ? 128 ILE C CA 1 +ATOM 2877 C C . ILE C 1 128 ? -88.125 -54.876 -59.530 1.00 27.81 ? 128 ILE C C 1 +ATOM 2878 O O . ILE C 1 128 ? -86.907 -54.697 -59.617 1.00 28.87 ? 128 ILE C O 1 +ATOM 2879 C CB . ILE C 1 128 ? -89.179 -53.521 -57.713 1.00 26.16 ? 128 ILE C CB 1 +ATOM 2880 C CG1 . ILE C 1 128 ? -89.737 -53.565 -56.292 1.00 25.04 ? 128 ILE C CG1 1 +ATOM 2881 C CG2 . ILE C 1 128 ? -90.219 -52.935 -58.645 1.00 26.06 ? 128 ILE C CG2 1 +ATOM 2882 C CD1 . ILE C 1 128 ? -90.951 -54.470 -56.131 1.00 23.62 ? 128 ILE C CD1 1 +ATOM 2883 N N . TYR C 1 129 ? -88.907 -55.030 -60.592 1.00 27.71 ? 129 TYR C N 1 +ATOM 2884 C CA . TYR C 1 129 ? -88.362 -54.974 -61.944 1.00 28.92 ? 129 TYR C CA 1 +ATOM 2885 C C . TYR C 1 129 ? -89.445 -54.655 -62.964 1.00 30.45 ? 129 TYR C C 1 +ATOM 2886 O O . TYR C 1 129 ? -89.132 -53.969 -63.962 1.00 32.22 ? 129 TYR C O 1 +ATOM 2887 C CB . TYR C 1 129 ? -87.674 -56.296 -62.300 1.00 27.36 ? 129 TYR C CB 1 +ATOM 2888 C CG . TYR C 1 129 ? -88.609 -57.473 -62.323 1.00 26.67 ? 129 TYR C CG 1 +ATOM 2889 C CD1 . TYR C 1 129 ? -89.446 -57.701 -63.412 1.00 26.01 ? 129 TYR C CD1 1 +ATOM 2890 C CD2 . TYR C 1 129 ? -88.695 -58.338 -61.235 1.00 25.74 ? 129 TYR C CD2 1 +ATOM 2891 C CE1 . TYR C 1 129 ? -90.349 -58.756 -63.414 1.00 25.07 ? 129 TYR C CE1 1 +ATOM 2892 C CE2 . TYR C 1 129 ? -89.592 -59.392 -61.228 1.00 25.04 ? 129 TYR C CE2 1 +ATOM 2893 C CZ . TYR C 1 129 ? -90.418 -59.593 -62.318 1.00 25.33 ? 129 TYR C CZ 1 +ATOM 2894 O OH . TYR C 1 129 ? -91.325 -60.623 -62.305 1.00 28.21 ? 129 TYR C OH 1 +ATOM 2895 O OXT . TYR C 1 129 ? -90.594 -55.104 -62.760 1.00 31.55 ? 129 TYR C OXT 1 +ATOM 2896 O "O5'" . A D 2 3 ? -96.954 -45.782 1.478 0.50 79.52 ? 3 A R "O5'" 1 +ATOM 2897 C "C5'" . A D 2 3 ? -97.079 -46.139 2.860 0.50 79.97 ? 3 A R "C5'" 1 +ATOM 2898 C "C4'" . A D 2 3 ? -96.569 -45.051 3.782 0.50 80.12 ? 3 A R "C4'" 1 +ATOM 2899 O "O4'" . A D 2 3 ? -95.176 -44.774 3.482 0.50 80.52 ? 3 A R "O4'" 1 +ATOM 2900 C "C3'" . A D 2 3 ? -97.265 -43.705 3.653 0.50 80.07 ? 3 A R "C3'" 1 +ATOM 2901 O "O3'" . A D 2 3 ? -98.453 -43.670 4.445 0.50 79.21 ? 3 A R "O3'" 1 +ATOM 2902 C "C2'" . A D 2 3 ? -96.206 -42.729 4.159 0.50 80.35 ? 3 A R "C2'" 1 +ATOM 2903 O "O2'" . A D 2 3 ? -96.152 -42.648 5.571 0.50 80.26 ? 3 A R "O2'" 1 +ATOM 2904 C "C1'" . A D 2 3 ? -94.917 -43.386 3.648 0.50 80.53 ? 3 A R "C1'" 1 +ATOM 2905 N N9 . A D 2 3 ? -94.397 -42.857 2.382 0.50 80.70 ? 3 A R N9 1 +ATOM 2906 C C8 . A D 2 3 ? -94.305 -43.520 1.180 0.50 80.77 ? 3 A R C8 1 +ATOM 2907 N N7 . A D 2 3 ? -93.767 -42.805 0.221 0.50 80.84 ? 3 A R N7 1 +ATOM 2908 C C5 . A D 2 3 ? -93.490 -41.586 0.827 0.50 80.78 ? 3 A R C5 1 +ATOM 2909 C C6 . A D 2 3 ? -92.909 -40.399 0.340 0.50 80.84 ? 3 A R C6 1 +ATOM 2910 N N6 . A D 2 3 ? -92.483 -40.242 -0.916 0.50 80.70 ? 3 A R N6 1 +ATOM 2911 N N1 . A D 2 3 ? -92.780 -39.365 1.202 0.50 80.82 ? 3 A R N1 1 +ATOM 2912 C C2 . A D 2 3 ? -93.207 -39.524 2.462 0.50 80.56 ? 3 A R C2 1 +ATOM 2913 N N3 . A D 2 3 ? -93.766 -40.590 3.037 0.50 80.44 ? 3 A R N3 1 +ATOM 2914 C C4 . A D 2 3 ? -93.881 -41.600 2.156 0.50 80.67 ? 3 A R C4 1 +ATOM 2915 P P . U D 2 4 ? -99.697 -42.750 3.999 0.50 78.53 ? 4 U R P 1 +ATOM 2916 O OP1 . U D 2 4 ? -100.817 -43.036 4.942 0.50 78.71 ? 4 U R OP1 1 +ATOM 2917 O OP2 . U D 2 4 ? -99.903 -42.929 2.534 0.50 78.15 ? 4 U R OP2 1 +ATOM 2918 O "O5'" . U D 2 4 ? -99.197 -41.254 4.243 0.50 77.58 ? 4 U R "O5'" 1 +ATOM 2919 C "C5'" . U D 2 4 ? -99.517 -40.561 5.448 0.50 75.41 ? 4 U R "C5'" 1 +ATOM 2920 C "C4'" . U D 2 4 ? -99.257 -39.079 5.292 0.50 73.95 ? 4 U R "C4'" 1 +ATOM 2921 O "O4'" . U D 2 4 ? -97.857 -38.871 4.961 0.50 73.30 ? 4 U R "O4'" 1 +ATOM 2922 C "C3'" . U D 2 4 ? -99.997 -38.365 4.170 0.50 73.20 ? 4 U R "C3'" 1 +ATOM 2923 O "O3'" . U D 2 4 ? -101.344 -38.038 4.519 0.50 71.95 ? 4 U R "O3'" 1 +ATOM 2924 C "C2'" . U D 2 4 ? -99.133 -37.125 3.964 0.50 73.14 ? 4 U R "C2'" 1 +ATOM 2925 O "O2'" . U D 2 4 ? -99.365 -36.114 4.929 0.50 73.16 ? 4 U R "O2'" 1 +ATOM 2926 C "C1'" . U D 2 4 ? -97.729 -37.705 4.162 0.50 72.97 ? 4 U R "C1'" 1 +ATOM 2927 N N1 . U D 2 4 ? -97.067 -38.056 2.892 0.50 72.51 ? 4 U R N1 1 +ATOM 2928 C C2 . U D 2 4 ? -96.226 -37.106 2.324 0.50 72.14 ? 4 U R C2 1 +ATOM 2929 O O2 . U D 2 4 ? -96.000 -36.023 2.837 0.50 71.75 ? 4 U R O2 1 +ATOM 2930 N N3 . U D 2 4 ? -95.661 -37.474 1.129 0.50 71.97 ? 4 U R N3 1 +ATOM 2931 C C4 . U D 2 4 ? -95.840 -38.662 0.453 0.50 71.98 ? 4 U R C4 1 +ATOM 2932 O O4 . U D 2 4 ? -95.289 -38.825 -0.639 0.50 71.71 ? 4 U R O4 1 +ATOM 2933 C C5 . U D 2 4 ? -96.710 -39.596 1.106 0.50 72.13 ? 4 U R C5 1 +ATOM 2934 C C6 . U D 2 4 ? -97.277 -39.272 2.275 0.50 72.32 ? 4 U R C6 1 +ATOM 2935 P P . G D 2 5 ? -102.389 -37.603 3.369 0.50 71.24 ? 5 G R P 1 +ATOM 2936 O OP1 . G D 2 5 ? -103.733 -37.450 3.992 0.50 71.01 ? 5 G R OP1 1 +ATOM 2937 O OP2 . G D 2 5 ? -102.216 -38.538 2.218 0.50 71.08 ? 5 G R OP2 1 +ATOM 2938 O "O5'" . G D 2 5 ? -101.889 -36.159 2.911 0.50 69.18 ? 5 G R "O5'" 1 +ATOM 2939 C "C5'" . G D 2 5 ? -102.038 -35.024 3.769 0.50 65.76 ? 5 G R "C5'" 1 +ATOM 2940 C "C4'" . G D 2 5 ? -101.400 -33.799 3.152 0.50 63.29 ? 5 G R "C4'" 1 +ATOM 2941 O "O4'" . G D 2 5 ? -99.972 -34.014 3.001 0.50 62.79 ? 5 G R "O4'" 1 +ATOM 2942 C "C3'" . G D 2 5 ? -101.862 -33.426 1.751 0.50 61.64 ? 5 G R "C3'" 1 +ATOM 2943 O "O3'" . G D 2 5 ? -103.072 -32.679 1.780 0.50 59.14 ? 5 G R "O3'" 1 +ATOM 2944 C "C2'" . G D 2 5 ? -100.701 -32.578 1.248 0.50 61.57 ? 5 G R "C2'" 1 +ATOM 2945 O "O2'" . G D 2 5 ? -100.721 -31.256 1.748 0.50 60.99 ? 5 G R "O2'" 1 +ATOM 2946 C "C1'" . G D 2 5 ? -99.507 -33.316 1.856 0.50 61.97 ? 5 G R "C1'" 1 +ATOM 2947 N N9 . G D 2 5 ? -98.905 -34.271 0.928 0.50 61.94 ? 5 G R N9 1 +ATOM 2948 C C8 . G D 2 5 ? -99.214 -35.602 0.767 0.50 61.75 ? 5 G R C8 1 +ATOM 2949 N N7 . G D 2 5 ? -98.500 -36.183 -0.160 0.50 61.78 ? 5 G R N7 1 +ATOM 2950 C C5 . G D 2 5 ? -97.671 -35.177 -0.636 0.50 61.96 ? 5 G R C5 1 +ATOM 2951 C C6 . G D 2 5 ? -96.676 -35.203 -1.651 0.50 62.01 ? 5 G R C6 1 +ATOM 2952 O O6 . G D 2 5 ? -96.314 -36.157 -2.355 0.50 62.17 ? 5 G R O6 1 +ATOM 2953 N N1 . G D 2 5 ? -96.077 -33.956 -1.812 0.50 61.71 ? 5 G R N1 1 +ATOM 2954 C C2 . G D 2 5 ? -96.391 -32.829 -1.091 0.50 61.69 ? 5 G R C2 1 +ATOM 2955 N N2 . G D 2 5 ? -95.705 -31.720 -1.393 0.50 61.33 ? 5 G R N2 1 +ATOM 2956 N N3 . G D 2 5 ? -97.312 -32.791 -0.145 0.50 61.93 ? 5 G R N3 1 +ATOM 2957 C C4 . G D 2 5 ? -97.908 -33.991 0.028 0.50 61.99 ? 5 G R C4 1 +ATOM 2958 P P . A D 2 6 ? -104.484 -33.440 1.668 0.50 56.92 ? 6 A R P 1 +ATOM 2959 O OP1 . A D 2 6 ? -104.896 -33.801 3.050 0.50 56.71 ? 6 A R OP1 1 +ATOM 2960 O OP2 . A D 2 6 ? -104.375 -34.500 0.628 0.50 55.83 ? 6 A R OP2 1 +ATOM 2961 O "O5'" . A D 2 6 ? -105.489 -32.317 1.150 0.50 55.53 ? 6 A R "O5'" 1 +ATOM 2962 C "C5'" . A D 2 6 ? -105.315 -31.680 -0.117 0.50 53.32 ? 6 A R "C5'" 1 +ATOM 2963 C "C4'" . A D 2 6 ? -105.970 -30.320 -0.090 0.50 51.57 ? 6 A R "C4'" 1 +ATOM 2964 O "O4'" . A D 2 6 ? -107.378 -30.481 0.231 0.50 50.96 ? 6 A R "O4'" 1 +ATOM 2965 C "C3'" . A D 2 6 ? -105.405 -29.388 0.974 0.50 50.82 ? 6 A R "C3'" 1 +ATOM 2966 O "O3'" . A D 2 6 ? -104.392 -28.552 0.422 0.50 50.50 ? 6 A R "O3'" 1 +ATOM 2967 C "C2'" . A D 2 6 ? -106.628 -28.611 1.449 0.50 50.02 ? 6 A R "C2'" 1 +ATOM 2968 O "O2'" . A D 2 6 ? -106.974 -27.540 0.595 0.50 49.67 ? 6 A R "O2'" 1 +ATOM 2969 C "C1'" . A D 2 6 ? -107.712 -29.686 1.356 0.50 49.72 ? 6 A R "C1'" 1 +ATOM 2970 N N9 . A D 2 6 ? -107.852 -30.584 2.509 0.50 48.30 ? 6 A R N9 1 +ATOM 2971 C C8 . A D 2 6 ? -107.002 -30.768 3.578 0.50 48.05 ? 6 A R C8 1 +ATOM 2972 N N7 . A D 2 6 ? -107.406 -31.690 4.423 0.50 47.37 ? 6 A R N7 1 +ATOM 2973 C C5 . A D 2 6 ? -108.606 -32.137 3.883 0.50 46.80 ? 6 A R C5 1 +ATOM 2974 C C6 . A D 2 6 ? -109.529 -33.121 4.299 0.50 46.08 ? 6 A R C6 1 +ATOM 2975 N N6 . A D 2 6 ? -109.375 -33.866 5.396 0.50 44.28 ? 6 A R N6 1 +ATOM 2976 N N1 . A D 2 6 ? -110.627 -33.316 3.535 0.50 45.87 ? 6 A R N1 1 +ATOM 2977 C C2 . A D 2 6 ? -110.778 -32.574 2.431 0.50 45.26 ? 6 A R C2 1 +ATOM 2978 N N3 . A D 2 6 ? -109.983 -31.629 1.932 0.50 46.06 ? 6 A R N3 1 +ATOM 2979 C C4 . A D 2 6 ? -108.900 -31.455 2.712 0.50 47.10 ? 6 A R C4 1 +ATOM 2980 P P . G D 2 7 ? -102.855 -28.761 0.847 0.50 50.26 ? 7 G R P 1 +ATOM 2981 O OP1 . G D 2 7 ? -102.790 -29.156 2.281 0.50 50.17 ? 7 G R OP1 1 +ATOM 2982 O OP2 . G D 2 7 ? -102.130 -27.550 0.386 0.50 50.06 ? 7 G R OP2 1 +ATOM 2983 O "O5'" . G D 2 7 ? -102.361 -29.994 -0.038 0.50 49.45 ? 7 G R "O5'" 1 +ATOM 2984 C "C5'" . G D 2 7 ? -102.446 -29.957 -1.461 0.50 47.57 ? 7 G R "C5'" 1 +ATOM 2985 C "C4'" . G D 2 7 ? -101.203 -29.317 -2.039 0.50 46.79 ? 7 G R "C4'" 1 +ATOM 2986 O "O4'" . G D 2 7 ? -100.042 -30.148 -1.759 0.50 46.50 ? 7 G R "O4'" 1 +ATOM 2987 C "C3'" . G D 2 7 ? -101.182 -29.193 -3.552 0.50 46.31 ? 7 G R "C3'" 1 +ATOM 2988 O "O3'" . G D 2 7 ? -101.932 -28.074 -4.007 0.50 45.58 ? 7 G R "O3'" 1 +ATOM 2989 C "C2'" . G D 2 7 ? -99.697 -29.053 -3.842 0.50 46.04 ? 7 G R "C2'" 1 +ATOM 2990 O "O2'" . G D 2 7 ? -99.209 -27.749 -3.593 0.50 46.06 ? 7 G R "O2'" 1 +ATOM 2991 C "C1'" . G D 2 7 ? -99.114 -30.051 -2.835 0.50 45.99 ? 7 G R "C1'" 1 +ATOM 2992 N N9 . G D 2 7 ? -98.938 -31.379 -3.418 0.50 45.58 ? 7 G R N9 1 +ATOM 2993 C C8 . G D 2 7 ? -99.534 -32.552 -3.014 0.50 45.32 ? 7 G R C8 1 +ATOM 2994 N N7 . G D 2 7 ? -99.197 -33.578 -3.746 0.50 45.34 ? 7 G R N7 1 +ATOM 2995 C C5 . G D 2 7 ? -98.323 -33.056 -4.691 0.50 45.42 ? 7 G R C5 1 +ATOM 2996 C C6 . G D 2 7 ? -97.633 -33.692 -5.760 0.50 45.38 ? 7 G R C6 1 +ATOM 2997 O O6 . G D 2 7 ? -97.669 -34.882 -6.096 0.50 44.96 ? 7 G R O6 1 +ATOM 2998 N N1 . G D 2 7 ? -96.844 -32.791 -6.472 0.50 45.34 ? 7 G R N1 1 +ATOM 2999 C C2 . G D 2 7 ? -96.733 -31.450 -6.196 0.50 45.90 ? 7 G R C2 1 +ATOM 3000 N N2 . G D 2 7 ? -95.920 -30.744 -7.000 0.50 45.81 ? 7 G R N2 1 +ATOM 3001 N N3 . G D 2 7 ? -97.375 -30.842 -5.206 0.50 45.89 ? 7 G R N3 1 +ATOM 3002 C C4 . G D 2 7 ? -98.144 -31.701 -4.500 0.50 45.52 ? 7 G R C4 1 +ATOM 3003 P P . G D 2 8 ? -102.890 -28.238 -5.284 0.50 44.89 ? 8 G R P 1 +ATOM 3004 O OP1 . G D 2 8 ? -103.826 -27.083 -5.319 0.50 45.00 ? 8 G R OP1 1 +ATOM 3005 O OP2 . G D 2 8 ? -103.435 -29.623 -5.251 0.50 44.44 ? 8 G R OP2 1 +ATOM 3006 O "O5'" . G D 2 8 ? -101.902 -28.159 -6.527 0.50 45.32 ? 8 G R "O5'" 1 +ATOM 3007 C "C5'" . G D 2 8 ? -101.416 -26.911 -7.021 0.50 45.62 ? 8 G R "C5'" 1 +ATOM 3008 C "C4'" . G D 2 8 ? -100.543 -27.134 -8.228 0.50 46.05 ? 8 G R "C4'" 1 +ATOM 3009 O "O4'" . G D 2 8 ? -99.413 -27.963 -7.843 0.50 45.95 ? 8 G R "O4'" 1 +ATOM 3010 C "C3'" . G D 2 8 ? -101.160 -27.885 -9.395 0.50 46.52 ? 8 G R "C3'" 1 +ATOM 3011 O "O3'" . G D 2 8 ? -101.957 -27.060 -10.234 0.50 46.93 ? 8 G R "O3'" 1 +ATOM 3012 C "C2'" . G D 2 8 ? -99.930 -28.415 -10.112 0.50 46.49 ? 8 G R "C2'" 1 +ATOM 3013 O "O2'" . G D 2 8 ? -99.290 -27.438 -10.926 0.50 46.12 ? 8 G R "O2'" 1 +ATOM 3014 C "C1'" . G D 2 8 ? -99.060 -28.819 -8.921 0.50 46.29 ? 8 G R "C1'" 1 +ATOM 3015 N N9 . G D 2 8 ? -99.323 -30.195 -8.507 0.50 46.40 ? 8 G R N9 1 +ATOM 3016 C C8 . G D 2 8 ? -100.052 -30.611 -7.419 0.50 46.82 ? 8 G R C8 1 +ATOM 3017 N N7 . G D 2 8 ? -100.139 -31.908 -7.321 0.50 46.77 ? 8 G R N7 1 +ATOM 3018 C C5 . G D 2 8 ? -99.417 -32.384 -8.410 0.50 46.68 ? 8 G R C5 1 +ATOM 3019 C C6 . G D 2 8 ? -99.157 -33.719 -8.839 0.50 46.86 ? 8 G R C6 1 +ATOM 3020 O O6 . G D 2 8 ? -99.520 -34.784 -8.328 0.50 47.33 ? 8 G R O6 1 +ATOM 3021 N N1 . G D 2 8 ? -98.381 -33.737 -9.995 0.50 46.47 ? 8 G R N1 1 +ATOM 3022 C C2 . G D 2 8 ? -97.919 -32.621 -10.657 0.50 46.34 ? 8 G R C2 1 +ATOM 3023 N N2 . G D 2 8 ? -97.186 -32.847 -11.759 0.50 45.65 ? 8 G R N2 1 +ATOM 3024 N N3 . G D 2 8 ? -98.150 -31.379 -10.268 0.50 46.23 ? 8 G R N3 1 +ATOM 3025 C C4 . G D 2 8 ? -98.904 -31.333 -9.147 0.50 46.36 ? 8 G R C4 1 +ATOM 3026 P P . A D 2 9 ? -103.122 -27.722 -11.133 0.50 46.90 ? 9 A R P 1 +ATOM 3027 O OP1 . A D 2 9 ? -103.940 -26.639 -11.702 0.50 46.41 ? 9 A R OP1 1 +ATOM 3028 O OP2 . A D 2 9 ? -103.769 -28.749 -10.287 0.50 47.10 ? 9 A R OP2 1 +ATOM 3029 O "O5'" . A D 2 9 ? -102.390 -28.519 -12.318 0.50 47.15 ? 9 A R "O5'" 1 +ATOM 3030 C "C5'" . A D 2 9 ? -101.588 -27.844 -13.290 0.50 48.40 ? 9 A R "C5'" 1 +ATOM 3031 C "C4'" . A D 2 9 ? -100.678 -28.819 -14.014 0.50 49.23 ? 9 A R "C4'" 1 +ATOM 3032 O "O4'" . A D 2 9 ? -99.995 -29.660 -13.036 0.50 49.43 ? 9 A R "O4'" 1 +ATOM 3033 C "C3'" . A D 2 9 ? -101.294 -29.797 -15.014 0.50 49.55 ? 9 A R "C3'" 1 +ATOM 3034 O "O3'" . A D 2 9 ? -101.486 -29.155 -16.294 0.50 50.04 ? 9 A R "O3'" 1 +ATOM 3035 C "C2'" . A D 2 9 ? -100.243 -30.906 -15.052 0.50 49.49 ? 9 A R "C2'" 1 +ATOM 3036 O "O2'" . A D 2 9 ? -99.143 -30.568 -15.874 0.50 49.35 ? 9 A R "O2'" 1 +ATOM 3037 C "C1'" . A D 2 9 ? -99.770 -30.944 -13.592 0.50 49.59 ? 9 A R "C1'" 1 +ATOM 3038 N N9 . A D 2 9 ? -100.414 -31.940 -12.717 0.50 49.65 ? 9 A R N9 1 +ATOM 3039 C C8 . A D 2 9 ? -101.219 -31.735 -11.612 0.50 49.91 ? 9 A R C8 1 +ATOM 3040 N N7 . A D 2 9 ? -101.596 -32.843 -11.015 0.50 50.07 ? 9 A R N7 1 +ATOM 3041 C C5 . A D 2 9 ? -101.015 -33.844 -11.781 0.50 49.73 ? 9 A R C5 1 +ATOM 3042 C C6 . A D 2 9 ? -101.024 -35.244 -11.670 0.50 49.81 ? 9 A R C6 1 +ATOM 3043 N N6 . A D 2 9 ? -101.666 -35.909 -10.705 0.50 49.60 ? 9 A R N6 1 +ATOM 3044 N N1 . A D 2 9 ? -100.341 -35.949 -12.601 0.50 49.86 ? 9 A R N1 1 +ATOM 3045 C C2 . A D 2 9 ? -99.697 -35.283 -13.569 0.50 49.70 ? 9 A R C2 1 +ATOM 3046 N N3 . A D 2 9 ? -99.613 -33.979 -13.779 0.50 49.54 ? 9 A R N3 1 +ATOM 3047 C C4 . A D 2 9 ? -100.296 -33.306 -12.840 0.50 49.57 ? 9 A R C4 1 +ATOM 3048 P P . U D 2 10 ? -102.386 -29.841 -17.463 0.50 50.37 ? 10 U R P 1 +ATOM 3049 O OP1 . U D 2 10 ? -102.140 -29.031 -18.682 0.50 49.90 ? 10 U R OP1 1 +ATOM 3050 O OP2 . U D 2 10 ? -103.793 -30.047 -16.994 0.50 50.24 ? 10 U R OP2 1 +ATOM 3051 O "O5'" . U D 2 10 ? -101.770 -31.290 -17.707 0.50 49.58 ? 10 U R "O5'" 1 +ATOM 3052 C "C5'" . U D 2 10 ? -100.502 -31.455 -18.339 0.50 48.35 ? 10 U R "C5'" 1 +ATOM 3053 C "C4'" . U D 2 10 ? -100.199 -32.924 -18.500 0.50 47.91 ? 10 U R "C4'" 1 +ATOM 3054 O "O4'" . U D 2 10 ? -100.393 -33.579 -17.216 0.50 47.41 ? 10 U R "O4'" 1 +ATOM 3055 C "C3'" . U D 2 10 ? -101.075 -33.682 -19.486 0.50 47.52 ? 10 U R "C3'" 1 +ATOM 3056 O "O3'" . U D 2 10 ? -100.304 -34.742 -20.025 0.50 48.59 ? 10 U R "O3'" 1 +ATOM 3057 C "C2'" . U D 2 10 ? -102.189 -34.220 -18.603 0.50 46.71 ? 10 U R "C2'" 1 +ATOM 3058 O "O2'" . U D 2 10 ? -102.841 -35.361 -19.134 0.50 46.29 ? 10 U R "O2'" 1 +ATOM 3059 C "C1'" . U D 2 10 ? -101.425 -34.542 -17.315 0.50 46.07 ? 10 U R "C1'" 1 +ATOM 3060 N N1 . U D 2 10 ? -102.260 -34.407 -16.121 0.50 44.51 ? 10 U R N1 1 +ATOM 3061 C C2 . U D 2 10 ? -102.443 -35.532 -15.331 0.50 43.33 ? 10 U R C2 1 +ATOM 3062 O O2 . U D 2 10 ? -101.975 -36.629 -15.614 0.50 42.00 ? 10 U R O2 1 +ATOM 3063 N N3 . U D 2 10 ? -103.210 -35.325 -14.212 0.50 42.94 ? 10 U R N3 1 +ATOM 3064 C C4 . U D 2 10 ? -103.790 -34.137 -13.807 0.50 43.26 ? 10 U R C4 1 +ATOM 3065 O O4 . U D 2 10 ? -104.378 -34.082 -12.721 0.50 43.35 ? 10 U R O4 1 +ATOM 3066 C C5 . U D 2 10 ? -103.562 -33.028 -14.691 0.50 43.48 ? 10 U R C5 1 +ATOM 3067 C C6 . U D 2 10 ? -102.824 -33.199 -15.782 0.50 44.01 ? 10 U R C6 1 +HETATM 3068 P P . ONE D 2 11 ? -99.718 -34.642 -21.515 0.50 49.76 ? 11 ONE R P 1 +HETATM 3069 O OP1 . ONE D 2 11 ? -98.378 -34.014 -21.433 0.50 49.81 ? 11 ONE R OP1 1 +HETATM 3070 O OP2 . ONE D 2 11 ? -100.742 -34.071 -22.432 0.50 49.57 ? 11 ONE R OP2 1 +HETATM 3071 O "O5'" . ONE D 2 11 ? -99.462 -36.164 -21.890 0.50 48.99 ? 11 ONE R "O5'" 1 +HETATM 3072 C "C5'" . ONE D 2 11 ? -98.999 -37.050 -20.883 0.50 49.07 ? 11 ONE R "C5'" 1 +HETATM 3073 C "C4'" . ONE D 2 11 ? -98.993 -38.472 -21.365 0.50 48.46 ? 11 ONE R "C4'" 1 +HETATM 3074 O "O4'" . ONE D 2 11 ? -98.350 -38.552 -22.664 0.50 48.02 ? 11 ONE R "O4'" 1 +HETATM 3075 C "C3'" . ONE D 2 11 ? -98.215 -39.387 -20.441 0.50 48.12 ? 11 ONE R "C3'" 1 +HETATM 3076 C "C2'" . ONE D 2 11 ? -96.818 -39.357 -21.060 0.50 47.88 ? 11 ONE R "C2'" 1 +HETATM 3077 O "O2'" . ONE D 2 11 ? -95.986 -40.448 -20.723 0.50 48.60 ? 11 ONE R "O2'" 1 +HETATM 3078 O "O3'" . ONE D 2 11 ? -98.831 -40.673 -20.421 0.50 48.01 ? 11 ONE R "O3'" 1 +HETATM 3079 C "C1'" . ONE D 2 11 ? -97.143 -39.287 -22.554 0.50 47.76 ? 11 ONE R "C1'" 1 +HETATM 3080 N N1 . ONE D 2 11 ? -96.131 -38.603 -23.373 0.50 47.00 ? 11 ONE R N1 1 +HETATM 3081 C C6 . ONE D 2 11 ? -95.027 -39.290 -23.792 0.50 46.25 ? 11 ONE R C6 1 +HETATM 3082 C C2 . ONE D 2 11 ? -96.274 -37.282 -23.712 0.50 46.23 ? 11 ONE R C2 1 +HETATM 3083 C C3 . ONE D 2 11 ? -95.365 -36.640 -24.452 0.50 45.87 ? 11 ONE R C3 1 +HETATM 3084 C C4 . ONE D 2 11 ? -94.185 -37.329 -24.918 0.50 45.90 ? 11 ONE R C4 1 +HETATM 3085 O O4 . ONE D 2 11 ? -93.345 -36.784 -25.633 0.50 45.91 ? 11 ONE R O4 1 +HETATM 3086 C C5 . ONE D 2 11 ? -94.076 -38.717 -24.535 0.50 45.72 ? 11 ONE R C5 1 +ATOM 3087 P P . A D 2 12 ? -99.801 -41.061 -19.197 0.50 47.74 ? 12 A R P 1 +ATOM 3088 O OP1 . A D 2 12 ? -100.510 -42.313 -19.531 0.50 47.73 ? 12 A R OP1 1 +ATOM 3089 O OP2 . A D 2 12 ? -100.595 -39.870 -18.828 0.50 46.67 ? 12 A R OP2 1 +ATOM 3090 O "O5'" . A D 2 12 ? -98.800 -41.340 -17.988 0.50 46.58 ? 12 A R "O5'" 1 +ATOM 3091 C "C5'" . A D 2 12 ? -99.305 -41.688 -16.700 0.50 44.33 ? 12 A R "C5'" 1 +ATOM 3092 C "C4'" . A D 2 12 ? -98.224 -42.336 -15.874 0.50 42.96 ? 12 A R "C4'" 1 +ATOM 3093 O "O4'" . A D 2 12 ? -98.810 -42.807 -14.638 0.50 41.21 ? 12 A R "O4'" 1 +ATOM 3094 C "C3'" . A D 2 12 ? -97.586 -43.565 -16.496 0.50 43.37 ? 12 A R "C3'" 1 +ATOM 3095 O "O3'" . A D 2 12 ? -96.288 -43.740 -15.952 0.50 46.87 ? 12 A R "O3'" 1 +ATOM 3096 C "C2'" . A D 2 12 ? -98.545 -44.674 -16.084 0.50 41.49 ? 12 A R "C2'" 1 +ATOM 3097 O "O2'" . A D 2 12 ? -97.961 -45.967 -16.031 0.50 41.57 ? 12 A R "O2'" 1 +ATOM 3098 C "C1'" . A D 2 12 ? -99.042 -44.198 -14.711 0.50 39.20 ? 12 A R "C1'" 1 +ATOM 3099 N N9 . A D 2 12 ? -100.483 -44.393 -14.521 0.50 35.39 ? 12 A R N9 1 +ATOM 3100 C C8 . A D 2 12 ? -101.500 -43.872 -15.283 0.50 33.72 ? 12 A R C8 1 +ATOM 3101 N N7 . A D 2 12 ? -102.700 -44.205 -14.868 0.50 32.37 ? 12 A R N7 1 +ATOM 3102 C C5 . A D 2 12 ? -102.456 -45.001 -13.754 0.50 32.15 ? 12 A R C5 1 +ATOM 3103 C C6 . A D 2 12 ? -103.313 -45.670 -12.859 0.50 30.72 ? 12 A R C6 1 +ATOM 3104 N N6 . A D 2 12 ? -104.643 -45.632 -12.944 0.50 29.32 ? 12 A R N6 1 +ATOM 3105 N N1 . A D 2 12 ? -102.747 -46.377 -11.863 0.50 30.04 ? 12 A R N1 1 +ATOM 3106 C C2 . A D 2 12 ? -101.416 -46.408 -11.775 0.50 29.61 ? 12 A R C2 1 +ATOM 3107 N N3 . A D 2 12 ? -100.503 -45.826 -12.547 0.50 30.53 ? 12 A R N3 1 +ATOM 3108 C C4 . A D 2 12 ? -101.095 -45.129 -13.533 0.50 32.77 ? 12 A R C4 1 +ATOM 3109 P P . C D 2 13 ? -95.054 -42.903 -16.548 0.50 49.50 ? 13 C R P 1 +ATOM 3110 O OP1 . C D 2 13 ? -95.141 -42.943 -18.028 0.50 48.71 ? 13 C R OP1 1 +ATOM 3111 O OP2 . C D 2 13 ? -93.831 -43.428 -15.896 0.50 48.76 ? 13 C R OP2 1 +ATOM 3112 O "O5'" . C D 2 13 ? -95.298 -41.401 -16.044 0.50 51.29 ? 13 C R "O5'" 1 +ATOM 3113 C "C5'" . C D 2 13 ? -94.781 -40.950 -14.777 0.50 54.23 ? 13 C R "C5'" 1 +ATOM 3114 C "C4'" . C D 2 13 ? -94.600 -39.455 -14.789 0.50 56.39 ? 13 C R "C4'" 1 +ATOM 3115 O "O4'" . C D 2 13 ? -95.876 -38.784 -14.632 0.50 56.59 ? 13 C R "O4'" 1 +ATOM 3116 C "C3'" . C D 2 13 ? -93.730 -38.874 -13.686 0.50 57.91 ? 13 C R "C3'" 1 +ATOM 3117 O "O3'" . C D 2 13 ? -92.363 -39.084 -14.065 0.50 60.96 ? 13 C R "O3'" 1 +ATOM 3118 C "C2'" . C D 2 13 ? -94.185 -37.418 -13.650 0.50 57.22 ? 13 C R "C2'" 1 +ATOM 3119 O "O2'" . C D 2 13 ? -93.589 -36.598 -14.629 0.50 56.19 ? 13 C R "O2'" 1 +ATOM 3120 C "C1'" . C D 2 13 ? -95.685 -37.564 -13.937 0.50 56.87 ? 13 C R "C1'" 1 +ATOM 3121 N N1 . C D 2 13 ? -96.530 -37.574 -12.716 0.50 56.98 ? 13 C R N1 1 +ATOM 3122 C C2 . C D 2 13 ? -96.896 -36.347 -12.148 0.50 56.87 ? 13 C R C2 1 +ATOM 3123 O O2 . C D 2 13 ? -96.466 -35.296 -12.655 0.50 56.67 ? 13 C R O2 1 +ATOM 3124 N N3 . C D 2 13 ? -97.697 -36.334 -11.060 0.50 56.82 ? 13 C R N3 1 +ATOM 3125 C C4 . C D 2 13 ? -98.128 -37.481 -10.535 0.50 56.78 ? 13 C R C4 1 +ATOM 3126 N N4 . C D 2 13 ? -98.936 -37.418 -9.468 0.50 56.53 ? 13 C R N4 1 +ATOM 3127 C C5 . C D 2 13 ? -97.754 -38.744 -11.075 0.50 57.00 ? 13 C R C5 1 +ATOM 3128 C C6 . C D 2 13 ? -96.964 -38.747 -12.155 0.50 57.11 ? 13 C R C6 1 +ATOM 3129 P P . C D 2 14 ? -91.146 -38.396 -13.246 0.50 63.11 ? 14 C R P 1 +ATOM 3130 O OP1 . C D 2 14 ? -90.433 -37.547 -14.227 0.50 63.00 ? 14 C R OP1 1 +ATOM 3131 O OP2 . C D 2 14 ? -90.400 -39.464 -12.546 0.50 63.27 ? 14 C R OP2 1 +ATOM 3132 O "O5'" . C D 2 14 ? -91.809 -37.444 -12.154 0.50 63.53 ? 14 C R "O5'" 1 +ATOM 3133 C "C5'" . C D 2 14 ? -91.020 -36.570 -11.341 0.50 64.40 ? 14 C R "C5'" 1 +ATOM 3134 C "C4'" . C D 2 14 ? -91.230 -35.128 -11.761 0.50 65.24 ? 14 C R "C4'" 1 +ATOM 3135 O "O4'" . C D 2 14 ? -92.594 -34.906 -12.214 0.50 65.50 ? 14 C R "O4'" 1 +ATOM 3136 C "C3'" . C D 2 14 ? -90.987 -34.115 -10.655 0.50 66.04 ? 14 C R "C3'" 1 +ATOM 3137 O "O3'" . C D 2 14 ? -89.620 -33.724 -10.544 0.50 67.28 ? 14 C R "O3'" 1 +ATOM 3138 C "C2'" . C D 2 14 ? -92.009 -33.025 -10.958 0.50 65.75 ? 14 C R "C2'" 1 +ATOM 3139 O "O2'" . C D 2 14 ? -91.585 -32.128 -11.977 0.50 65.59 ? 14 C R "O2'" 1 +ATOM 3140 C "C1'" . C D 2 14 ? -93.197 -33.877 -11.437 0.50 65.38 ? 14 C R "C1'" 1 +ATOM 3141 N N1 . C D 2 14 ? -94.005 -34.546 -10.369 0.50 65.01 ? 14 C R N1 1 +ATOM 3142 C C2 . C D 2 14 ? -94.712 -33.768 -9.405 0.50 64.92 ? 14 C R C2 1 +ATOM 3143 O O2 . C D 2 14 ? -94.688 -32.528 -9.468 0.50 65.05 ? 14 C R O2 1 +ATOM 3144 N N3 . C D 2 14 ? -95.402 -34.415 -8.423 0.50 64.71 ? 14 C R N3 1 +ATOM 3145 C C4 . C D 2 14 ? -95.415 -35.754 -8.375 0.50 64.78 ? 14 C R C4 1 +ATOM 3146 N N4 . C D 2 14 ? -96.100 -36.349 -7.390 0.50 64.53 ? 14 C R N4 1 +ATOM 3147 C C5 . C D 2 14 ? -94.735 -36.548 -9.338 0.50 64.56 ? 14 C R C5 1 +ATOM 3148 C C6 . C D 2 14 ? -94.053 -35.917 -10.303 0.50 64.63 ? 14 C R C6 1 +ATOM 3149 P P . C D 2 15 ? -88.880 -33.752 -9.101 0.50 68.26 ? 15 C R P 1 +ATOM 3150 O OP1 . C D 2 15 ? -87.627 -32.960 -9.242 0.50 68.43 ? 15 C R OP1 1 +ATOM 3151 O OP2 . C D 2 15 ? -88.810 -35.141 -8.585 0.50 68.02 ? 15 C R OP2 1 +ATOM 3152 O "O5'" . C D 2 15 ? -89.885 -32.959 -8.149 0.50 69.17 ? 15 C R "O5'" 1 +ATOM 3153 C "C5'" . C D 2 15 ? -90.106 -31.567 -8.356 0.50 70.51 ? 15 C R "C5'" 1 +ATOM 3154 C "C4'" . C D 2 15 ? -90.842 -30.962 -7.184 0.50 71.40 ? 15 C R "C4'" 1 +ATOM 3155 O "O4'" . C D 2 15 ? -92.222 -31.400 -7.186 0.50 71.20 ? 15 C R "O4'" 1 +ATOM 3156 C "C3'" . C D 2 15 ? -90.357 -31.319 -5.794 0.50 72.10 ? 15 C R "C3'" 1 +ATOM 3157 O "O3'" . C D 2 15 ? -89.189 -30.589 -5.435 0.50 73.78 ? 15 C R "O3'" 1 +ATOM 3158 C "C2'" . C D 2 15 ? -91.562 -30.961 -4.932 0.50 71.58 ? 15 C R "C2'" 1 +ATOM 3159 O "O2'" . C D 2 15 ? -91.638 -29.588 -4.598 0.50 71.08 ? 15 C R "O2'" 1 +ATOM 3160 C "C1'" . C D 2 15 ? -92.716 -31.389 -5.850 0.50 70.90 ? 15 C R "C1'" 1 +ATOM 3161 N N1 . C D 2 15 ? -93.246 -32.734 -5.536 0.50 69.94 ? 15 C R N1 1 +ATOM 3162 C C2 . C D 2 15 ? -94.200 -32.865 -4.507 0.50 69.71 ? 15 C R C2 1 +ATOM 3163 O O2 . C D 2 15 ? -94.558 -31.856 -3.873 0.50 69.83 ? 15 C R O2 1 +ATOM 3164 N N3 . C D 2 15 ? -94.712 -34.087 -4.234 0.50 69.29 ? 15 C R N3 1 +ATOM 3165 C C4 . C D 2 15 ? -94.309 -35.151 -4.930 0.50 69.06 ? 15 C R C4 1 +ATOM 3166 N N4 . C D 2 15 ? -94.848 -36.343 -4.637 0.50 68.76 ? 15 C R N4 1 +ATOM 3167 C C5 . C D 2 15 ? -93.336 -35.050 -5.963 0.50 69.17 ? 15 C R C5 1 +ATOM 3168 C C6 . C D 2 15 ? -92.830 -33.839 -6.229 0.50 69.39 ? 15 C R C6 1 +ATOM 3169 P P . A D 2 16 ? -88.265 -31.111 -4.229 0.50 75.08 ? 16 A R P 1 +ATOM 3170 O OP1 . A D 2 16 ? -87.054 -30.259 -4.172 0.50 74.89 ? 16 A R OP1 1 +ATOM 3171 O OP2 . A D 2 16 ? -88.130 -32.585 -4.363 0.50 74.73 ? 16 A R OP2 1 +ATOM 3172 O "O5'" . A D 2 16 ? -89.127 -30.838 -2.915 0.50 75.38 ? 16 A R "O5'" 1 +ATOM 3173 C "C5'" . A D 2 16 ? -89.352 -29.512 -2.437 0.50 76.17 ? 16 A R "C5'" 1 +ATOM 3174 C "C4'" . A D 2 16 ? -90.159 -29.555 -1.160 0.50 77.07 ? 16 A R "C4'" 1 +ATOM 3175 O "O4'" . A D 2 16 ? -91.469 -30.112 -1.444 0.50 77.09 ? 16 A R "O4'" 1 +ATOM 3176 C "C3'" . A D 2 16 ? -89.603 -30.442 -0.060 0.50 77.64 ? 16 A R "C3'" 1 +ATOM 3177 O "O3'" . A D 2 16 ? -88.588 -29.771 0.682 0.50 78.80 ? 16 A R "O3'" 1 +ATOM 3178 C "C2'" . A D 2 16 ? -90.848 -30.761 0.750 0.50 77.42 ? 16 A R "C2'" 1 +ATOM 3179 O "O2'" . A D 2 16 ? -91.216 -29.723 1.641 0.50 77.24 ? 16 A R "O2'" 1 +ATOM 3180 C "C1'" . A D 2 16 ? -91.888 -30.923 -0.360 0.50 77.00 ? 16 A R "C1'" 1 +ATOM 3181 N N9 . A D 2 16 ? -92.006 -32.297 -0.865 0.50 76.27 ? 16 A R N9 1 +ATOM 3182 C C8 . A D 2 16 ? -91.361 -32.872 -1.936 0.50 75.83 ? 16 A R C8 1 +ATOM 3183 N N7 . A D 2 16 ? -91.692 -34.126 -2.149 0.50 75.50 ? 16 A R N7 1 +ATOM 3184 C C5 . A D 2 16 ? -92.612 -34.399 -1.144 0.50 75.50 ? 16 A R C5 1 +ATOM 3185 C C6 . A D 2 16 ? -93.338 -35.560 -0.810 0.50 75.11 ? 16 A R C6 1 +ATOM 3186 N N6 . A D 2 16 ? -93.256 -36.708 -1.482 0.50 74.80 ? 16 A R N6 1 +ATOM 3187 N N1 . A D 2 16 ? -94.160 -35.493 0.256 0.50 75.26 ? 16 A R N1 1 +ATOM 3188 C C2 . A D 2 16 ? -94.251 -34.339 0.934 0.50 75.54 ? 16 A R C2 1 +ATOM 3189 N N3 . A D 2 16 ? -93.627 -33.186 0.721 0.50 75.60 ? 16 A R N3 1 +ATOM 3190 C C4 . A D 2 16 ? -92.812 -33.282 -0.344 0.50 75.85 ? 16 A R C4 1 +ATOM 3191 P P . U D 2 17 ? -87.419 -30.620 1.396 0.50 79.70 ? 17 U R P 1 +ATOM 3192 O OP1 . U D 2 17 ? -86.408 -29.674 1.927 0.50 79.30 ? 17 U R OP1 1 +ATOM 3193 O OP2 . U D 2 17 ? -87.002 -31.700 0.467 0.50 79.57 ? 17 U R OP2 1 +ATOM 3194 O "O5'" . U D 2 17 ? -88.134 -31.329 2.631 0.50 79.50 ? 17 U R "O5'" 1 +ATOM 3195 C "C5'" . U D 2 17 ? -88.785 -30.555 3.636 0.50 79.28 ? 17 U R "C5'" 1 +ATOM 3196 C "C4'" . U D 2 17 ? -89.740 -31.415 4.426 0.50 79.08 ? 17 U R "C4'" 1 +ATOM 3197 O "O4'" . U D 2 17 ? -90.764 -31.953 3.544 0.50 79.04 ? 17 U R "O4'" 1 +ATOM 3198 C "C3'" . U D 2 17 ? -89.142 -32.647 5.085 0.50 78.96 ? 17 U R "C3'" 1 +ATOM 3199 O "O3'" . U D 2 17 ? -88.390 -32.418 6.284 0.50 78.81 ? 17 U R "O3'" 1 +ATOM 3200 C "C2'" . U D 2 17 ? -90.363 -33.536 5.272 0.50 78.88 ? 17 U R "C2'" 1 +ATOM 3201 O "O2'" . U D 2 17 ? -91.135 -33.159 6.398 0.50 78.76 ? 17 U R "O2'" 1 +ATOM 3202 C "C1'" . U D 2 17 ? -91.131 -33.255 3.974 0.50 78.73 ? 17 U R "C1'" 1 +ATOM 3203 N N1 . U D 2 17 ? -90.841 -34.198 2.879 0.50 78.48 ? 17 U R N1 1 +ATOM 3204 C C2 . U D 2 17 ? -91.414 -35.470 2.941 0.50 78.45 ? 17 U R C2 1 +ATOM 3205 O O2 . U D 2 17 ? -92.148 -35.827 3.854 0.50 78.57 ? 17 U R O2 1 +ATOM 3206 N N3 . U D 2 17 ? -91.092 -36.294 1.887 0.50 78.31 ? 17 U R N3 1 +ATOM 3207 C C4 . U D 2 17 ? -90.283 -35.993 0.804 0.50 78.27 ? 17 U R C4 1 +ATOM 3208 O O4 . U D 2 17 ? -90.032 -36.872 -0.028 0.50 77.81 ? 17 U R O4 1 +ATOM 3209 C C5 . U D 2 17 ? -89.743 -34.667 0.812 0.50 78.24 ? 17 U R C5 1 +ATOM 3210 C C6 . U D 2 17 ? -90.027 -33.843 1.820 0.50 78.27 ? 17 U R C6 1 +ATOM 3211 O "O5'" . A E 2 3 ? -88.603 -40.019 -31.961 0.50 101.77 ? 3 A S "O5'" 1 +ATOM 3212 C "C5'" . A E 2 3 ? -88.985 -38.769 -32.554 0.50 101.60 ? 3 A S "C5'" 1 +ATOM 3213 C "C4'" . A E 2 3 ? -87.858 -38.103 -33.312 0.50 101.38 ? 3 A S "C4'" 1 +ATOM 3214 O "O4'" . A E 2 3 ? -86.735 -37.881 -32.419 0.50 101.34 ? 3 A S "O4'" 1 +ATOM 3215 C "C3'" . A E 2 3 ? -87.270 -38.904 -34.467 0.50 101.09 ? 3 A S "C3'" 1 +ATOM 3216 O "O3'" . A E 2 3 ? -88.049 -38.751 -35.653 0.50 100.64 ? 3 A S "O3'" 1 +ATOM 3217 C "C2'" . A E 2 3 ? -85.873 -38.306 -34.601 0.50 101.04 ? 3 A S "C2'" 1 +ATOM 3218 O "O2'" . A E 2 3 ? -85.858 -37.088 -35.319 0.50 100.46 ? 3 A S "O2'" 1 +ATOM 3219 C "C1'" . A E 2 3 ? -85.518 -38.027 -33.136 0.50 101.24 ? 3 A S "C1'" 1 +ATOM 3220 N N9 . A E 2 3 ? -84.710 -39.061 -32.482 0.50 101.41 ? 3 A S N9 1 +ATOM 3221 C C8 . A E 2 3 ? -85.086 -39.923 -31.478 0.50 101.47 ? 3 A S C8 1 +ATOM 3222 N N7 . A E 2 3 ? -84.127 -40.725 -31.080 0.50 101.62 ? 3 A S N7 1 +ATOM 3223 C C5 . A E 2 3 ? -83.046 -40.373 -31.878 0.50 101.74 ? 3 A S C5 1 +ATOM 3224 C C6 . A E 2 3 ? -81.724 -40.855 -31.947 0.50 101.84 ? 3 A S C6 1 +ATOM 3225 N N6 . A E 2 3 ? -81.250 -41.832 -31.171 0.50 101.68 ? 3 A S N6 1 +ATOM 3226 N N1 . A E 2 3 ? -80.899 -40.289 -32.855 0.50 102.03 ? 3 A S N1 1 +ATOM 3227 C C2 . A E 2 3 ? -81.376 -39.308 -33.635 0.50 101.96 ? 3 A S C2 1 +ATOM 3228 N N3 . A E 2 3 ? -82.594 -38.770 -33.662 0.50 101.67 ? 3 A S N3 1 +ATOM 3229 C C4 . A E 2 3 ? -83.391 -39.353 -32.749 0.50 101.59 ? 3 A S C4 1 +ATOM 3230 P P . U E 2 4 ? -88.109 -39.942 -36.739 0.50 100.26 ? 4 U S P 1 +ATOM 3231 O OP1 . U E 2 4 ? -89.153 -39.585 -37.742 0.50 100.57 ? 4 U S OP1 1 +ATOM 3232 O OP2 . U E 2 4 ? -88.211 -41.235 -36.005 0.50 100.28 ? 4 U S OP2 1 +ATOM 3233 O "O5'" . U E 2 4 ? -86.687 -39.892 -37.461 0.50 98.73 ? 4 U S "O5'" 1 +ATOM 3234 C "C5'" . U E 2 4 ? -86.496 -39.131 -38.655 0.50 95.96 ? 4 U S "C5'" 1 +ATOM 3235 C "C4'" . U E 2 4 ? -85.209 -39.534 -39.343 0.50 93.89 ? 4 U S "C4'" 1 +ATOM 3236 O "O4'" . U E 2 4 ? -84.088 -39.267 -38.458 0.50 93.42 ? 4 U S "O4'" 1 +ATOM 3237 C "C3'" . U E 2 4 ? -85.050 -41.005 -39.699 0.50 92.58 ? 4 U S "C3'" 1 +ATOM 3238 O "O3'" . U E 2 4 ? -85.717 -41.332 -40.919 0.50 90.58 ? 4 U S "O3'" 1 +ATOM 3239 C "C2'" . U E 2 4 ? -83.536 -41.143 -39.816 0.50 92.65 ? 4 U S "C2'" 1 +ATOM 3240 O "O2'" . U E 2 4 ? -83.033 -40.659 -41.047 0.50 92.85 ? 4 U S "O2'" 1 +ATOM 3241 C "C1'" . U E 2 4 ? -83.063 -40.222 -38.689 0.50 92.87 ? 4 U S "C1'" 1 +ATOM 3242 N N1 . U E 2 4 ? -82.771 -40.930 -37.428 0.50 92.58 ? 4 U S N1 1 +ATOM 3243 C C2 . U E 2 4 ? -81.461 -41.339 -37.209 0.50 92.35 ? 4 U S C2 1 +ATOM 3244 O O2 . U E 2 4 ? -80.555 -41.135 -38.001 0.50 91.89 ? 4 U S O2 1 +ATOM 3245 N N3 . U E 2 4 ? -81.256 -42.002 -36.025 0.50 92.23 ? 4 U S N3 1 +ATOM 3246 C C4 . U E 2 4 ? -82.195 -42.292 -35.057 0.50 92.18 ? 4 U S C4 1 +ATOM 3247 O O4 . U E 2 4 ? -81.856 -42.929 -34.057 0.50 92.09 ? 4 U S O4 1 +ATOM 3248 C C5 . U E 2 4 ? -83.518 -41.833 -35.352 0.50 92.23 ? 4 U S C5 1 +ATOM 3249 C C6 . U E 2 4 ? -83.756 -41.183 -36.496 0.50 92.36 ? 4 U S C6 1 +ATOM 3250 P P . G E 2 5 ? -85.946 -42.877 -41.322 0.50 89.10 ? 5 G S P 1 +ATOM 3251 O OP1 . G E 2 5 ? -86.781 -42.899 -42.555 0.50 88.52 ? 5 G S OP1 1 +ATOM 3252 O OP2 . G E 2 5 ? -86.410 -43.602 -40.108 0.50 88.95 ? 5 G S OP2 1 +ATOM 3253 O "O5'" . G E 2 5 ? -84.487 -43.409 -41.692 0.50 87.69 ? 5 G S "O5'" 1 +ATOM 3254 C "C5'" . G E 2 5 ? -83.818 -42.959 -42.875 0.50 85.31 ? 5 G S "C5'" 1 +ATOM 3255 C "C4'" . G E 2 5 ? -82.394 -43.472 -42.914 0.50 83.44 ? 5 G S "C4'" 1 +ATOM 3256 O "O4'" . G E 2 5 ? -81.658 -42.960 -41.771 0.50 83.04 ? 5 G S "O4'" 1 +ATOM 3257 C "C3'" . G E 2 5 ? -82.214 -44.980 -42.818 0.50 82.21 ? 5 G S "C3'" 1 +ATOM 3258 O "O3'" . G E 2 5 ? -82.388 -45.615 -44.079 0.50 80.29 ? 5 G S "O3'" 1 +ATOM 3259 C "C2'" . G E 2 5 ? -80.775 -45.099 -42.332 0.50 82.25 ? 5 G S "C2'" 1 +ATOM 3260 O "O2'" . G E 2 5 ? -79.823 -44.934 -43.364 0.50 81.71 ? 5 G S "O2'" 1 +ATOM 3261 C "C1'" . G E 2 5 ? -80.691 -43.916 -41.365 0.50 82.58 ? 5 G S "C1'" 1 +ATOM 3262 N N9 . G E 2 5 ? -80.972 -44.312 -39.987 0.50 82.73 ? 5 G S N9 1 +ATOM 3263 C C8 . G E 2 5 ? -82.188 -44.313 -39.344 0.50 82.72 ? 5 G S C8 1 +ATOM 3264 N N7 . G E 2 5 ? -82.118 -44.758 -38.120 0.50 82.74 ? 5 G S N7 1 +ATOM 3265 C C5 . G E 2 5 ? -80.774 -45.062 -37.941 0.50 82.94 ? 5 G S C5 1 +ATOM 3266 C C6 . G E 2 5 ? -80.093 -45.587 -36.814 0.50 82.93 ? 5 G S C6 1 +ATOM 3267 O O6 . G E 2 5 ? -80.557 -45.904 -35.711 0.50 82.75 ? 5 G S O6 1 +ATOM 3268 N N1 . G E 2 5 ? -78.729 -45.737 -37.066 0.50 82.87 ? 5 G S N1 1 +ATOM 3269 C C2 . G E 2 5 ? -78.106 -45.422 -38.249 0.50 82.84 ? 5 G S C2 1 +ATOM 3270 N N2 . G E 2 5 ? -76.784 -45.629 -38.300 0.50 82.70 ? 5 G S N2 1 +ATOM 3271 N N3 . G E 2 5 ? -78.731 -44.935 -39.306 0.50 82.86 ? 5 G S N3 1 +ATOM 3272 C C4 . G E 2 5 ? -80.054 -44.781 -39.083 0.50 82.90 ? 5 G S C4 1 +ATOM 3273 P P . A E 2 6 ? -83.852 -46.090 -44.537 0.50 78.49 ? 6 A S P 1 +ATOM 3274 O OP1 . A E 2 6 ? -84.455 -44.962 -45.294 0.50 78.05 ? 6 A S OP1 1 +ATOM 3275 O OP2 . A E 2 6 ? -84.567 -46.653 -43.361 0.50 78.34 ? 6 A S OP2 1 +ATOM 3276 O "O5'" . A E 2 6 ? -83.573 -47.273 -45.565 0.50 77.81 ? 6 A S "O5'" 1 +ATOM 3277 C "C5'" . A E 2 6 ? -82.821 -48.428 -45.195 0.50 76.11 ? 6 A S "C5'" 1 +ATOM 3278 C "C4'" . A E 2 6 ? -82.228 -49.056 -46.434 0.50 75.05 ? 6 A S "C4'" 1 +ATOM 3279 O "O4'" . A E 2 6 ? -83.305 -49.350 -47.365 0.50 74.71 ? 6 A S "O4'" 1 +ATOM 3280 C "C3'" . A E 2 6 ? -81.265 -48.145 -47.183 0.50 74.62 ? 6 A S "C3'" 1 +ATOM 3281 O "O3'" . A E 2 6 ? -79.915 -48.423 -46.818 0.50 74.51 ? 6 A S "O3'" 1 +ATOM 3282 C "C2'" . A E 2 6 ? -81.557 -48.450 -48.649 0.50 73.94 ? 6 A S "C2'" 1 +ATOM 3283 O "O2'" . A E 2 6 ? -80.916 -49.626 -49.101 0.50 73.69 ? 6 A S "O2'" 1 +ATOM 3284 C "C1'" . A E 2 6 ? -83.065 -48.702 -48.601 0.50 73.54 ? 6 A S "C1'" 1 +ATOM 3285 N N9 . A E 2 6 ? -83.935 -47.520 -48.661 0.50 72.26 ? 6 A S N9 1 +ATOM 3286 C C8 . A E 2 6 ? -83.625 -46.200 -48.420 0.50 71.84 ? 6 A S C8 1 +ATOM 3287 N N7 . A E 2 6 ? -84.651 -45.388 -48.517 0.50 71.47 ? 6 A S N7 1 +ATOM 3288 C C5 . A E 2 6 ? -85.708 -46.224 -48.855 0.50 71.10 ? 6 A S C5 1 +ATOM 3289 C C6 . A E 2 6 ? -87.075 -45.973 -49.097 0.50 70.88 ? 6 A S C6 1 +ATOM 3290 N N6 . A E 2 6 ? -87.630 -44.762 -49.032 0.50 70.30 ? 6 A S N6 1 +ATOM 3291 N N1 . A E 2 6 ? -87.859 -47.030 -49.412 0.50 70.75 ? 6 A S N1 1 +ATOM 3292 C C2 . A E 2 6 ? -87.303 -48.244 -49.478 0.50 70.64 ? 6 A S C2 1 +ATOM 3293 N N3 . A E 2 6 ? -86.036 -48.604 -49.273 0.50 71.01 ? 6 A S N3 1 +ATOM 3294 C C4 . A E 2 6 ? -85.280 -47.537 -48.959 0.50 71.44 ? 6 A S C4 1 +ATOM 3295 P P . G E 2 7 ? -79.103 -47.390 -45.892 0.50 74.71 ? 7 G S P 1 +ATOM 3296 O OP1 . G E 2 7 ? -79.459 -45.998 -46.271 0.50 74.42 ? 7 G S OP1 1 +ATOM 3297 O OP2 . G E 2 7 ? -77.682 -47.821 -45.936 0.50 74.11 ? 7 G S OP2 1 +ATOM 3298 O "O5'" . G E 2 7 ? -79.653 -47.666 -44.422 0.50 74.33 ? 7 G S "O5'" 1 +ATOM 3299 C "C5'" . G E 2 7 ? -79.544 -48.961 -43.831 0.50 73.69 ? 7 G S "C5'" 1 +ATOM 3300 C "C4'" . G E 2 7 ? -78.219 -49.094 -43.116 0.50 73.32 ? 7 G S "C4'" 1 +ATOM 3301 O "O4'" . G E 2 7 ? -78.155 -48.130 -42.032 0.50 73.55 ? 7 G S "O4'" 1 +ATOM 3302 C "C3'" . G E 2 7 ? -77.961 -50.428 -42.435 0.50 73.23 ? 7 G S "C3'" 1 +ATOM 3303 O "O3'" . G E 2 7 ? -77.483 -51.403 -43.352 0.50 72.68 ? 7 G S "O3'" 1 +ATOM 3304 C "C2'" . G E 2 7 ? -76.915 -50.054 -41.396 0.50 73.34 ? 7 G S "C2'" 1 +ATOM 3305 O "O2'" . G E 2 7 ? -75.620 -49.920 -41.950 0.50 73.09 ? 7 G S "O2'" 1 +ATOM 3306 C "C1'" . G E 2 7 ? -77.436 -48.687 -40.938 0.50 73.45 ? 7 G S "C1'" 1 +ATOM 3307 N N9 . G E 2 7 ? -78.343 -48.781 -39.797 0.50 73.47 ? 7 G S N9 1 +ATOM 3308 C C8 . G E 2 7 ? -79.628 -48.291 -39.714 0.50 73.41 ? 7 G S C8 1 +ATOM 3309 N N7 . G E 2 7 ? -80.204 -48.550 -38.571 0.50 73.33 ? 7 G S N7 1 +ATOM 3310 C C5 . G E 2 7 ? -79.245 -49.250 -37.854 0.50 73.38 ? 7 G S C5 1 +ATOM 3311 C C6 . G E 2 7 ? -79.298 -49.800 -36.548 0.50 73.41 ? 7 G S C6 1 +ATOM 3312 O O6 . G E 2 7 ? -80.239 -49.789 -35.744 0.50 72.98 ? 7 G S O6 1 +ATOM 3313 N N1 . G E 2 7 ? -78.100 -50.423 -36.207 0.50 73.51 ? 7 G S N1 1 +ATOM 3314 C C2 . G E 2 7 ? -76.996 -50.511 -37.020 0.50 73.62 ? 7 G S C2 1 +ATOM 3315 N N2 . G E 2 7 ? -75.936 -51.161 -36.510 0.50 73.97 ? 7 G S N2 1 +ATOM 3316 N N3 . G E 2 7 ? -76.936 -50.006 -38.243 0.50 73.48 ? 7 G S N3 1 +ATOM 3317 C C4 . G E 2 7 ? -78.087 -49.394 -38.590 0.50 73.32 ? 7 G S C4 1 +ATOM 3318 P P . G E 2 8 ? -78.058 -52.902 -43.291 0.50 72.32 ? 8 G S P 1 +ATOM 3319 O OP1 . G E 2 8 ? -77.732 -53.568 -44.577 0.50 71.94 ? 8 G S OP1 1 +ATOM 3320 O OP2 . G E 2 8 ? -79.470 -52.827 -42.842 0.50 72.11 ? 8 G S OP2 1 +ATOM 3321 O "O5'" . G E 2 8 ? -77.232 -53.586 -42.117 0.50 72.01 ? 8 G S "O5'" 1 +ATOM 3322 C "C5'" . G E 2 8 ? -75.963 -54.184 -42.355 0.50 71.41 ? 8 G S "C5'" 1 +ATOM 3323 C "C4'" . G E 2 8 ? -75.483 -54.867 -41.101 0.50 71.20 ? 8 G S "C4'" 1 +ATOM 3324 O "O4'" . G E 2 8 ? -75.423 -53.871 -40.038 0.50 70.89 ? 8 G S "O4'" 1 +ATOM 3325 C "C3'" . G E 2 8 ? -76.422 -55.929 -40.546 0.50 71.30 ? 8 G S "C3'" 1 +ATOM 3326 O "O3'" . G E 2 8 ? -76.281 -57.198 -41.179 0.50 71.22 ? 8 G S "O3'" 1 +ATOM 3327 C "C2'" . G E 2 8 ? -76.041 -55.944 -39.074 0.50 71.21 ? 8 G S "C2'" 1 +ATOM 3328 O "O2'" . G E 2 8 ? -74.838 -56.650 -38.820 0.50 71.58 ? 8 G S "O2'" 1 +ATOM 3329 C "C1'" . G E 2 8 ? -75.852 -54.449 -38.813 0.50 70.61 ? 8 G S "C1'" 1 +ATOM 3330 N N9 . G E 2 8 ? -77.117 -53.817 -38.426 0.50 70.01 ? 8 G S N9 1 +ATOM 3331 C C8 . G E 2 8 ? -77.953 -53.068 -39.221 0.50 69.93 ? 8 G S C8 1 +ATOM 3332 N N7 . G E 2 8 ? -79.034 -52.681 -38.601 0.50 69.81 ? 8 G S N7 1 +ATOM 3333 C C5 . G E 2 8 ? -78.902 -53.196 -37.319 0.50 69.67 ? 8 G S C5 1 +ATOM 3334 C C6 . G E 2 8 ? -79.767 -53.106 -36.197 0.50 69.64 ? 8 G S C6 1 +ATOM 3335 O O6 . G E 2 8 ? -80.860 -52.533 -36.110 0.50 69.66 ? 8 G S O6 1 +ATOM 3336 N N1 . G E 2 8 ? -79.242 -53.772 -35.093 0.50 69.49 ? 8 G S N1 1 +ATOM 3337 C C2 . G E 2 8 ? -78.041 -54.443 -35.071 0.50 69.59 ? 8 G S C2 1 +ATOM 3338 N N2 . G E 2 8 ? -77.706 -55.030 -33.913 0.50 69.54 ? 8 G S N2 1 +ATOM 3339 N N3 . G E 2 8 ? -77.226 -54.529 -36.108 0.50 69.70 ? 8 G S N3 1 +ATOM 3340 C C4 . G E 2 8 ? -77.716 -53.892 -37.192 0.50 69.74 ? 8 G S C4 1 +ATOM 3341 P P . A E 2 9 ? -77.512 -58.242 -41.168 0.50 70.82 ? 9 A S P 1 +ATOM 3342 O OP1 . A E 2 9 ? -77.171 -59.359 -42.082 0.50 70.18 ? 9 A S OP1 1 +ATOM 3343 O OP2 . A E 2 9 ? -78.765 -57.467 -41.393 0.50 71.14 ? 9 A S OP2 1 +ATOM 3344 O "O5'" . A E 2 9 ? -77.550 -58.810 -39.674 0.50 70.92 ? 9 A S "O5'" 1 +ATOM 3345 C "C5'" . A E 2 9 ? -76.433 -59.513 -39.123 0.50 71.22 ? 9 A S "C5'" 1 +ATOM 3346 C "C4'" . A E 2 9 ? -76.519 -59.554 -37.609 0.50 71.76 ? 9 A S "C4'" 1 +ATOM 3347 O "O4'" . A E 2 9 ? -76.860 -58.230 -37.123 0.50 71.78 ? 9 A S "O4'" 1 +ATOM 3348 C "C3'" . A E 2 9 ? -77.565 -60.467 -36.976 0.50 72.36 ? 9 A S "C3'" 1 +ATOM 3349 O "O3'" . A E 2 9 ? -77.047 -61.798 -36.848 0.50 73.33 ? 9 A S "O3'" 1 +ATOM 3350 C "C2'" . A E 2 9 ? -77.763 -59.829 -35.603 0.50 72.22 ? 9 A S "C2'" 1 +ATOM 3351 O "O2'" . A E 2 9 ? -76.741 -60.178 -34.694 0.50 71.90 ? 9 A S "O2'" 1 +ATOM 3352 C "C1'" . A E 2 9 ? -77.622 -58.341 -35.931 0.50 72.24 ? 9 A S "C1'" 1 +ATOM 3353 N N9 . A E 2 9 ? -78.880 -57.602 -36.095 0.50 72.81 ? 9 A S N9 1 +ATOM 3354 C C8 . A E 2 9 ? -79.396 -57.052 -37.247 0.50 72.98 ? 9 A S C8 1 +ATOM 3355 N N7 . A E 2 9 ? -80.521 -56.402 -37.066 0.50 72.82 ? 9 A S N7 1 +ATOM 3356 C C5 . A E 2 9 ? -80.770 -56.539 -35.708 0.50 72.70 ? 9 A S C5 1 +ATOM 3357 C C6 . A E 2 9 ? -81.809 -56.068 -34.888 0.50 72.84 ? 9 A S C6 1 +ATOM 3358 N N6 . A E 2 9 ? -82.821 -55.319 -35.335 0.50 73.09 ? 9 A S N6 1 +ATOM 3359 N N1 . A E 2 9 ? -81.768 -56.390 -33.576 0.50 72.93 ? 9 A S N1 1 +ATOM 3360 C C2 . A E 2 9 ? -80.744 -57.129 -33.128 0.50 72.71 ? 9 A S C2 1 +ATOM 3361 N N3 . A E 2 9 ? -79.704 -57.623 -33.797 0.50 72.55 ? 9 A S N3 1 +ATOM 3362 C C4 . A E 2 9 ? -79.777 -57.288 -35.099 0.50 72.73 ? 9 A S C4 1 +ATOM 3363 P P . U E 2 10 ? -78.011 -63.019 -36.408 0.50 74.11 ? 10 U S P 1 +ATOM 3364 O OP1 . U E 2 10 ? -77.137 -64.169 -36.054 0.50 73.55 ? 10 U S OP1 1 +ATOM 3365 O OP2 . U E 2 10 ? -79.052 -63.183 -37.459 0.50 73.95 ? 10 U S OP2 1 +ATOM 3366 O "O5'" . U E 2 10 ? -78.736 -62.533 -35.072 0.50 74.16 ? 10 U S "O5'" 1 +ATOM 3367 C "C5'" . U E 2 10 ? -78.085 -62.592 -33.800 0.50 74.69 ? 10 U S "C5'" 1 +ATOM 3368 C "C4'" . U E 2 10 ? -79.073 -62.281 -32.694 0.50 75.50 ? 10 U S "C4'" 1 +ATOM 3369 O "O4'" . U E 2 10 ? -79.773 -61.050 -33.033 0.50 75.14 ? 10 U S "O4'" 1 +ATOM 3370 C "C3'" . U E 2 10 ? -80.161 -63.325 -32.461 0.50 76.13 ? 10 U S "C3'" 1 +ATOM 3371 O "O3'" . U E 2 10 ? -80.575 -63.286 -31.100 0.50 77.78 ? 10 U S "O3'" 1 +ATOM 3372 C "C2'" . U E 2 10 ? -81.300 -62.822 -33.340 0.50 75.54 ? 10 U S "C2'" 1 +ATOM 3373 O "O2'" . U E 2 10 ? -82.570 -63.263 -32.897 0.50 75.48 ? 10 U S "O2'" 1 +ATOM 3374 C "C1'" . U E 2 10 ? -81.157 -61.308 -33.188 0.50 74.48 ? 10 U S "C1'" 1 +ATOM 3375 N N1 . U E 2 10 ? -81.631 -60.547 -34.354 0.50 73.00 ? 10 U S N1 1 +ATOM 3376 C C2 . U E 2 10 ? -82.652 -59.630 -34.165 0.50 72.14 ? 10 U S C2 1 +ATOM 3377 O O2 . U E 2 10 ? -83.181 -59.430 -33.079 0.50 71.01 ? 10 U S O2 1 +ATOM 3378 N N3 . U E 2 10 ? -83.033 -58.950 -35.297 0.50 71.53 ? 10 U S N3 1 +ATOM 3379 C C4 . U E 2 10 ? -82.508 -59.089 -36.569 0.50 71.50 ? 10 U S C4 1 +ATOM 3380 O O4 . U E 2 10 ? -82.921 -58.366 -37.476 0.50 71.34 ? 10 U S O4 1 +ATOM 3381 C C5 . U E 2 10 ? -81.465 -60.060 -36.683 0.50 71.70 ? 10 U S C5 1 +ATOM 3382 C C6 . U E 2 10 ? -81.074 -60.738 -35.602 0.50 72.41 ? 10 U S C6 1 +HETATM 3383 P P . ONE E 2 11 ? -79.874 -64.247 -30.019 0.50 79.60 ? 11 ONE S P 1 +HETATM 3384 O OP1 . ONE E 2 11 ? -78.553 -63.650 -29.683 0.50 79.42 ? 11 ONE S OP1 1 +HETATM 3385 O OP2 . ONE E 2 11 ? -79.944 -65.650 -30.510 0.50 79.32 ? 11 ONE S OP2 1 +HETATM 3386 O "O5'" . ONE E 2 11 ? -80.814 -64.104 -28.742 0.50 79.27 ? 11 ONE S "O5'" 1 +HETATM 3387 C "C5'" . ONE E 2 11 ? -81.171 -62.815 -28.255 0.50 79.56 ? 11 ONE S "C5'" 1 +HETATM 3388 C "C4'" . ONE E 2 11 ? -82.228 -62.928 -27.184 0.50 79.84 ? 11 ONE S "C4'" 1 +HETATM 3389 O "O4'" . ONE E 2 11 ? -81.753 -63.806 -26.128 0.50 80.24 ? 11 ONE S "O4'" 1 +HETATM 3390 C "C3'" . ONE E 2 11 ? -82.576 -61.605 -26.511 0.50 79.67 ? 11 ONE S "C3'" 1 +HETATM 3391 C "C2'" . ONE E 2 11 ? -81.646 -61.597 -25.300 0.50 79.90 ? 11 ONE S "C2'" 1 +HETATM 3392 O "O2'" . ONE E 2 11 ? -82.117 -60.796 -24.234 0.50 79.72 ? 11 ONE S "O2'" 1 +HETATM 3393 O "O3'" . ONE E 2 11 ? -83.950 -61.612 -26.138 0.50 79.19 ? 11 ONE S "O3'" 1 +HETATM 3394 C "C1'" . ONE E 2 11 ? -81.617 -63.078 -24.918 0.50 80.10 ? 11 ONE S "C1'" 1 +HETATM 3395 N N1 . ONE E 2 11 ? -80.359 -63.494 -24.281 0.50 80.06 ? 11 ONE S N1 1 +HETATM 3396 C C6 . ONE E 2 11 ? -80.242 -63.483 -22.920 0.50 80.04 ? 11 ONE S C6 1 +HETATM 3397 C C2 . ONE E 2 11 ? -79.293 -63.885 -25.048 0.50 80.03 ? 11 ONE S C2 1 +HETATM 3398 C C3 . ONE E 2 11 ? -78.137 -64.277 -24.508 0.50 80.09 ? 11 ONE S C3 1 +HETATM 3399 C C4 . ONE E 2 11 ? -77.970 -64.295 -23.075 0.50 79.88 ? 11 ONE S C4 1 +HETATM 3400 O O4 . ONE E 2 11 ? -76.933 -64.695 -22.543 0.50 79.61 ? 11 ONE S O4 1 +HETATM 3401 C C5 . ONE E 2 11 ? -79.114 -63.863 -22.305 0.50 79.96 ? 11 ONE S C5 1 +ATOM 3402 P P . A E 2 12 ? -85.028 -60.832 -27.049 0.50 79.11 ? 12 A S P 1 +ATOM 3403 O OP1 . A E 2 12 ? -86.385 -61.082 -26.497 0.50 78.80 ? 12 A S OP1 1 +ATOM 3404 O OP2 . A E 2 12 ? -84.744 -61.164 -28.474 0.50 78.30 ? 12 A S OP2 1 +ATOM 3405 O "O5'" . A E 2 12 ? -84.681 -59.291 -26.836 0.50 77.73 ? 12 A S "O5'" 1 +ATOM 3406 C "C5'" . A E 2 12 ? -85.358 -58.292 -27.587 0.50 75.00 ? 12 A S "C5'" 1 +ATOM 3407 C "C4'" . A E 2 12 ? -85.156 -56.924 -26.971 0.50 73.21 ? 12 A S "C4'" 1 +ATOM 3408 O "O4'" . A E 2 12 ? -85.926 -55.957 -27.726 0.50 71.91 ? 12 A S "O4'" 1 +ATOM 3409 C "C3'" . A E 2 12 ? -85.640 -56.755 -25.538 0.50 72.73 ? 12 A S "C3'" 1 +ATOM 3410 O "O3'" . A E 2 12 ? -84.961 -55.660 -24.928 0.50 73.77 ? 12 A S "O3'" 1 +ATOM 3411 C "C2'" . A E 2 12 ? -87.124 -56.458 -25.729 0.50 71.62 ? 12 A S "C2'" 1 +ATOM 3412 O "O2'" . A E 2 12 ? -87.684 -55.712 -24.664 0.50 71.31 ? 12 A S "O2'" 1 +ATOM 3413 C "C1'" . A E 2 12 ? -87.132 -55.664 -27.042 0.50 70.69 ? 12 A S "C1'" 1 +ATOM 3414 N N9 . A E 2 12 ? -88.241 -56.045 -27.919 0.50 68.65 ? 12 A S N9 1 +ATOM 3415 C C8 . A E 2 12 ? -88.422 -57.244 -28.569 0.50 67.85 ? 12 A S C8 1 +ATOM 3416 N N7 . A E 2 12 ? -89.518 -57.296 -29.288 0.50 66.97 ? 12 A S N7 1 +ATOM 3417 C C5 . A E 2 12 ? -90.099 -56.050 -29.103 0.50 66.67 ? 12 A S C5 1 +ATOM 3418 C C6 . A E 2 12 ? -91.286 -55.471 -29.596 0.50 65.97 ? 12 A S C6 1 +ATOM 3419 N N6 . A E 2 12 ? -92.139 -56.098 -30.413 0.50 64.54 ? 12 A S N6 1 +ATOM 3420 N N1 . A E 2 12 ? -91.574 -54.207 -29.216 0.50 65.75 ? 12 A S N1 1 +ATOM 3421 C C2 . A E 2 12 ? -90.722 -53.574 -28.397 0.50 66.08 ? 12 A S C2 1 +ATOM 3422 N N3 . A E 2 12 ? -89.580 -54.007 -27.868 0.50 66.53 ? 12 A S N3 1 +ATOM 3423 C C4 . A E 2 12 ? -89.321 -55.267 -28.264 0.50 67.25 ? 12 A S C4 1 +ATOM 3424 P P . C E 2 13 ? -83.560 -55.906 -24.178 0.50 74.45 ? 13 C S P 1 +ATOM 3425 O OP1 . C E 2 13 ? -83.613 -57.230 -23.504 0.50 74.23 ? 13 C S OP1 1 +ATOM 3426 O OP2 . C E 2 13 ? -83.257 -54.689 -23.376 0.50 74.26 ? 13 C S OP2 1 +ATOM 3427 O "O5'" . C E 2 13 ? -82.509 -55.997 -25.376 0.50 75.32 ? 13 C S "O5'" 1 +ATOM 3428 C "C5'" . C E 2 13 ? -81.820 -54.838 -25.842 0.50 76.75 ? 13 C S "C5'" 1 +ATOM 3429 C "C4'" . C E 2 13 ? -80.650 -55.240 -26.706 0.50 78.03 ? 13 C S "C4'" 1 +ATOM 3430 O "O4'" . C E 2 13 ? -81.124 -55.662 -28.014 0.50 78.15 ? 13 C S "O4'" 1 +ATOM 3431 C "C3'" . C E 2 13 ? -79.678 -54.123 -27.032 0.50 79.00 ? 13 C S "C3'" 1 +ATOM 3432 O "O3'" . C E 2 13 ? -78.771 -53.934 -25.945 0.50 80.66 ? 13 C S "O3'" 1 +ATOM 3433 C "C2'" . C E 2 13 ? -78.977 -54.655 -28.280 0.50 78.73 ? 13 C S "C2'" 1 +ATOM 3434 O "O2'" . C E 2 13 ? -77.946 -55.576 -27.991 0.50 78.38 ? 13 C S "O2'" 1 +ATOM 3435 C "C1'" . C E 2 13 ? -80.122 -55.392 -28.983 0.50 78.63 ? 13 C S "C1'" 1 +ATOM 3436 N N1 . C E 2 13 ? -80.714 -54.666 -30.126 0.50 78.84 ? 13 C S N1 1 +ATOM 3437 C C2 . C E 2 13 ? -79.984 -54.591 -31.327 0.50 78.92 ? 13 C S C2 1 +ATOM 3438 O O2 . C E 2 13 ? -78.861 -55.118 -31.387 0.50 78.86 ? 13 C S O2 1 +ATOM 3439 N N3 . C E 2 13 ? -80.523 -53.944 -32.389 0.50 78.97 ? 13 C S N3 1 +ATOM 3440 C C4 . C E 2 13 ? -81.730 -53.384 -32.289 0.50 79.10 ? 13 C S C4 1 +ATOM 3441 N N4 . C E 2 13 ? -82.222 -52.761 -33.366 0.50 79.27 ? 13 C S N4 1 +ATOM 3442 C C5 . C E 2 13 ? -82.489 -53.436 -31.082 0.50 79.19 ? 13 C S C5 1 +ATOM 3443 C C6 . C E 2 13 ? -81.949 -54.079 -30.036 0.50 79.03 ? 13 C S C6 1 +ATOM 3444 P P . C E 2 14 ? -77.887 -52.592 -25.857 0.50 81.95 ? 14 C S P 1 +ATOM 3445 O OP1 . C E 2 14 ? -76.640 -52.921 -25.115 0.50 81.77 ? 14 C S OP1 1 +ATOM 3446 O OP2 . C E 2 14 ? -78.759 -51.488 -25.382 0.50 81.58 ? 14 C S OP2 1 +ATOM 3447 O "O5'" . C E 2 14 ? -77.506 -52.302 -27.374 0.50 82.56 ? 14 C S "O5'" 1 +ATOM 3448 C "C5'" . C E 2 14 ? -76.375 -51.515 -27.717 0.50 83.81 ? 14 C S "C5'" 1 +ATOM 3449 C "C4'" . C E 2 14 ? -75.448 -52.315 -28.598 0.50 84.71 ? 14 C S "C4'" 1 +ATOM 3450 O "O4'" . C E 2 14 ? -76.192 -53.327 -29.329 0.50 85.03 ? 14 C S "O4'" 1 +ATOM 3451 C "C3'" . C E 2 14 ? -74.714 -51.501 -29.651 0.50 85.29 ? 14 C S "C3'" 1 +ATOM 3452 O "O3'" . C E 2 14 ? -73.490 -50.961 -29.173 0.50 85.92 ? 14 C S "O3'" 1 +ATOM 3453 C "C2'" . C E 2 14 ? -74.576 -52.489 -30.801 0.50 85.24 ? 14 C S "C2'" 1 +ATOM 3454 O "O2'" . C E 2 14 ? -73.528 -53.422 -30.617 0.50 84.82 ? 14 C S "O2'" 1 +ATOM 3455 C "C1'" . C E 2 14 ? -75.928 -53.198 -30.715 0.50 85.39 ? 14 C S "C1'" 1 +ATOM 3456 N N1 . C E 2 14 ? -77.031 -52.413 -31.317 0.50 85.83 ? 14 C S N1 1 +ATOM 3457 C C2 . C E 2 14 ? -77.015 -52.149 -32.699 0.50 86.10 ? 14 C S C2 1 +ATOM 3458 O O2 . C E 2 14 ? -76.066 -52.565 -33.387 0.50 86.23 ? 14 C S O2 1 +ATOM 3459 N N3 . C E 2 14 ? -78.033 -51.443 -33.244 0.50 86.12 ? 14 C S N3 1 +ATOM 3460 C C4 . C E 2 14 ? -79.032 -51.003 -32.472 0.50 85.90 ? 14 C S C4 1 +ATOM 3461 N N4 . C E 2 14 ? -80.020 -50.318 -33.054 0.50 85.79 ? 14 C S N4 1 +ATOM 3462 C C5 . C E 2 14 ? -79.065 -51.245 -31.070 0.50 85.75 ? 14 C S C5 1 +ATOM 3463 C C6 . C E 2 14 ? -78.059 -51.947 -30.540 0.50 85.71 ? 14 C S C6 1 +ATOM 3464 P P . C E 2 15 ? -73.220 -49.382 -29.297 0.50 86.55 ? 15 C S P 1 +ATOM 3465 O OP1 . C E 2 15 ? -71.848 -49.109 -28.791 0.50 86.51 ? 15 C S OP1 1 +ATOM 3466 O OP2 . C E 2 15 ? -74.387 -48.694 -28.675 0.50 86.29 ? 15 C S OP2 1 +ATOM 3467 O "O5'" . C E 2 15 ? -73.245 -49.099 -30.867 0.50 86.24 ? 15 C S "O5'" 1 +ATOM 3468 C "C5'" . C E 2 15 ? -72.217 -49.602 -31.719 0.50 85.86 ? 15 C S "C5'" 1 +ATOM 3469 C "C4'" . C E 2 15 ? -72.338 -49.008 -33.106 0.50 85.77 ? 15 C S "C4'" 1 +ATOM 3470 O "O4'" . C E 2 15 ? -73.576 -49.446 -33.721 0.50 85.54 ? 15 C S "O4'" 1 +ATOM 3471 C "C3'" . C E 2 15 ? -72.402 -47.490 -33.189 0.50 85.91 ? 15 C S "C3'" 1 +ATOM 3472 O "O3'" . C E 2 15 ? -71.098 -46.911 -33.118 0.50 86.51 ? 15 C S "O3'" 1 +ATOM 3473 C "C2'" . C E 2 15 ? -73.060 -47.266 -34.547 0.50 85.62 ? 15 C S "C2'" 1 +ATOM 3474 O "O2'" . C E 2 15 ? -72.153 -47.357 -35.628 0.50 85.41 ? 15 C S "O2'" 1 +ATOM 3475 C "C1'" . C E 2 15 ? -74.041 -48.441 -34.610 0.50 85.48 ? 15 C S "C1'" 1 +ATOM 3476 N N1 . C E 2 15 ? -75.449 -48.116 -34.288 0.50 85.33 ? 15 C S N1 1 +ATOM 3477 C C2 . C E 2 15 ? -76.225 -47.434 -35.245 0.50 85.49 ? 15 C S C2 1 +ATOM 3478 O O2 . C E 2 15 ? -75.704 -47.100 -36.323 0.50 85.57 ? 15 C S O2 1 +ATOM 3479 N N3 . C E 2 15 ? -77.519 -47.158 -34.968 0.50 85.50 ? 15 C S N3 1 +ATOM 3480 C C4 . C E 2 15 ? -78.046 -47.527 -33.798 0.50 85.57 ? 15 C S C4 1 +ATOM 3481 N N4 . C E 2 15 ? -79.332 -47.240 -33.573 0.50 85.95 ? 15 C S N4 1 +ATOM 3482 C C5 . C E 2 15 ? -77.281 -48.205 -32.806 0.50 85.45 ? 15 C S C5 1 +ATOM 3483 C C6 . C E 2 15 ? -76.000 -48.476 -33.088 0.50 85.36 ? 15 C S C6 1 +ATOM 3484 P P . A E 2 16 ? -70.931 -45.349 -32.762 0.50 86.89 ? 16 A S P 1 +ATOM 3485 O OP1 . A E 2 16 ? -69.477 -45.067 -32.637 0.50 86.43 ? 16 A S OP1 1 +ATOM 3486 O OP2 . A E 2 16 ? -71.839 -45.033 -31.625 0.50 86.82 ? 16 A S OP2 1 +ATOM 3487 O "O5'" . A E 2 16 ? -71.480 -44.594 -34.055 0.50 86.98 ? 16 A S "O5'" 1 +ATOM 3488 C "C5'" . A E 2 16 ? -70.698 -44.513 -35.245 0.50 87.35 ? 16 A S "C5'" 1 +ATOM 3489 C "C4'" . A E 2 16 ? -71.418 -43.696 -36.292 0.50 87.89 ? 16 A S "C4'" 1 +ATOM 3490 O "O4'" . A E 2 16 ? -72.638 -44.380 -36.684 0.50 87.79 ? 16 A S "O4'" 1 +ATOM 3491 C "C3'" . A E 2 16 ? -71.888 -42.318 -35.853 0.50 88.22 ? 16 A S "C3'" 1 +ATOM 3492 O "O3'" . A E 2 16 ? -70.844 -41.348 -35.918 0.50 89.29 ? 16 A S "O3'" 1 +ATOM 3493 C "C2'" . A E 2 16 ? -73.016 -42.039 -36.838 0.50 87.83 ? 16 A S "C2'" 1 +ATOM 3494 O "O2'" . A E 2 16 ? -72.552 -41.622 -38.107 0.50 87.36 ? 16 A S "O2'" 1 +ATOM 3495 C "C1'" . A E 2 16 ? -73.654 -43.425 -36.957 0.50 87.66 ? 16 A S "C1'" 1 +ATOM 3496 N N9 . A E 2 16 ? -74.743 -43.637 -36.000 0.50 87.30 ? 16 A S N9 1 +ATOM 3497 C C8 . A E 2 16 ? -74.664 -44.209 -34.753 0.50 87.19 ? 16 A S C8 1 +ATOM 3498 N N7 . A E 2 16 ? -75.810 -44.262 -34.119 0.50 87.04 ? 16 A S N7 1 +ATOM 3499 C C5 . A E 2 16 ? -76.705 -43.684 -35.010 0.50 87.14 ? 16 A S C5 1 +ATOM 3500 C C6 . A E 2 16 ? -78.087 -43.437 -34.924 0.50 87.17 ? 16 A S C6 1 +ATOM 3501 N N6 . A E 2 16 ? -78.834 -43.759 -33.866 0.50 87.19 ? 16 A S N6 1 +ATOM 3502 N N1 . A E 2 16 ? -78.680 -42.840 -35.981 0.50 87.18 ? 16 A S N1 1 +ATOM 3503 C C2 . A E 2 16 ? -77.931 -42.520 -37.043 0.50 87.29 ? 16 A S C2 1 +ATOM 3504 N N3 . A E 2 16 ? -76.626 -42.703 -37.240 0.50 87.19 ? 16 A S N3 1 +ATOM 3505 C C4 . A E 2 16 ? -76.066 -43.295 -36.171 0.50 87.19 ? 16 A S C4 1 +ATOM 3506 P P . U E 2 17 ? -70.822 -40.122 -34.873 0.50 90.45 ? 17 U S P 1 +ATOM 3507 O OP1 . U E 2 17 ? -69.460 -39.526 -34.888 0.50 90.13 ? 17 U S OP1 1 +ATOM 3508 O OP2 . U E 2 17 ? -71.399 -40.608 -33.587 0.50 89.90 ? 17 U S OP2 1 +ATOM 3509 O "O5'" . U E 2 17 ? -71.834 -39.056 -35.493 0.50 90.14 ? 17 U S "O5'" 1 +ATOM 3510 C "C5'" . U E 2 17 ? -71.646 -38.532 -36.808 0.50 89.93 ? 17 U S "C5'" 1 +ATOM 3511 C "C4'" . U E 2 17 ? -72.976 -38.135 -37.405 0.50 89.90 ? 17 U S "C4'" 1 +ATOM 3512 O "O4'" . U E 2 17 ? -73.839 -39.305 -37.437 0.50 90.02 ? 17 U S "O4'" 1 +ATOM 3513 C "C3'" . U E 2 17 ? -73.762 -37.108 -36.604 0.50 89.91 ? 17 U S "C3'" 1 +ATOM 3514 O "O3'" . U E 2 17 ? -73.336 -35.755 -36.806 0.50 89.55 ? 17 U S "O3'" 1 +ATOM 3515 C "C2'" . U E 2 17 ? -75.201 -37.411 -37.003 0.50 90.20 ? 17 U S "C2'" 1 +ATOM 3516 O "O2'" . U E 2 17 ? -75.559 -36.882 -38.266 0.50 90.45 ? 17 U S "O2'" 1 +ATOM 3517 C "C1'" . U E 2 17 ? -75.165 -38.938 -37.087 0.50 90.17 ? 17 U S "C1'" 1 +ATOM 3518 N N1 . U E 2 17 ? -75.507 -39.601 -35.815 0.50 90.37 ? 17 U S N1 1 +ATOM 3519 C C2 . U E 2 17 ? -76.847 -39.847 -35.546 0.50 90.43 ? 17 U S C2 1 +ATOM 3520 O O2 . U E 2 17 ? -77.753 -39.526 -36.305 0.50 90.50 ? 17 U S O2 1 +ATOM 3521 N N3 . U E 2 17 ? -77.090 -40.482 -34.352 0.50 90.35 ? 17 U S N3 1 +ATOM 3522 C C4 . U E 2 17 ? -76.156 -40.889 -33.419 0.50 90.42 ? 17 U S C4 1 +ATOM 3523 O O4 . U E 2 17 ? -76.527 -41.504 -32.417 0.50 90.44 ? 17 U S O4 1 +ATOM 3524 C C5 . U E 2 17 ? -74.801 -40.590 -33.763 0.50 90.41 ? 17 U S C5 1 +ATOM 3525 C C6 . U E 2 17 ? -74.530 -39.974 -34.916 0.50 90.31 ? 17 U S C6 1 +HETATM 3526 O O . HOH F 3 . ? -114.047 -59.335 -10.826 1.00 38.50 ? 2001 HOH A O 1 +HETATM 3527 O O . HOH F 3 . ? -124.655 -46.589 -8.981 1.00 44.52 ? 2002 HOH A O 1 +HETATM 3528 O O . HOH F 3 . ? -100.138 -61.701 4.304 1.00 21.68 ? 2003 HOH A O 1 +HETATM 3529 O O . HOH F 3 . ? -121.813 -50.573 -18.259 1.00 34.65 ? 2004 HOH A O 1 +HETATM 3530 O O . HOH F 3 . ? -122.900 -47.562 -16.271 1.00 47.46 ? 2005 HOH A O 1 +HETATM 3531 O O . HOH F 3 . ? -123.639 -42.491 -15.417 1.00 27.98 ? 2006 HOH A O 1 +HETATM 3532 O O . HOH F 3 . ? -114.069 -64.334 4.414 1.00 23.75 ? 2007 HOH A O 1 +HETATM 3533 O O . HOH F 3 . ? -122.433 -45.208 -8.788 1.00 31.67 ? 2008 HOH A O 1 +HETATM 3534 O O . HOH F 3 . ? -125.824 -43.298 -8.750 1.00 50.79 ? 2009 HOH A O 1 +HETATM 3535 O O . HOH F 3 . ? -100.185 -52.898 -25.267 1.00 30.62 ? 2010 HOH A O 1 +HETATM 3536 O O . HOH F 3 . ? -100.147 -56.738 -18.042 1.00 42.88 ? 2011 HOH A O 1 +HETATM 3537 O O . HOH F 3 . ? -96.253 -55.167 -18.816 1.00 28.75 ? 2012 HOH A O 1 +HETATM 3538 O O . HOH F 3 . ? -102.492 -53.667 -11.370 1.00 33.32 ? 2013 HOH A O 1 +HETATM 3539 O O . HOH F 3 . ? -101.510 -49.518 -19.930 1.00 25.43 ? 2014 HOH A O 1 +HETATM 3540 O O . HOH F 3 . ? -102.106 -46.731 -23.780 1.00 21.85 ? 2015 HOH A O 1 +HETATM 3541 O O . HOH F 3 . ? -112.560 -38.404 -31.924 1.00 36.37 ? 2016 HOH A O 1 +HETATM 3542 O O . HOH F 3 . ? -106.819 -39.803 -24.009 1.00 42.36 ? 2017 HOH A O 1 +HETATM 3543 O O . HOH F 3 . ? -104.253 -41.748 -24.479 1.00 27.57 ? 2018 HOH A O 1 +HETATM 3544 O O . HOH F 3 . ? -100.973 -55.683 -9.806 1.00 33.95 ? 2019 HOH A O 1 +HETATM 3545 O O . HOH F 3 . ? -101.779 -48.546 -6.975 1.00 23.88 ? 2020 HOH A O 1 +HETATM 3546 O O . HOH F 3 . ? -101.606 -59.326 -0.344 1.00 36.70 ? 2021 HOH A O 1 +HETATM 3547 O O . HOH F 3 . ? -98.356 -59.841 3.681 1.00 39.91 ? 2022 HOH A O 1 +HETATM 3548 O O . HOH F 3 . ? -101.942 -53.107 9.143 1.00 44.93 ? 2023 HOH A O 1 +HETATM 3549 O O . HOH F 3 . ? -109.532 -55.577 -2.445 1.00 41.44 ? 2024 HOH A O 1 +HETATM 3550 O O . HOH F 3 . ? -117.787 -29.261 -26.930 1.00 73.73 ? 2025 HOH A O 1 +HETATM 3551 O O . HOH F 3 . ? -108.983 -24.708 -42.871 1.00 52.31 ? 2026 HOH A O 1 +HETATM 3552 O O . HOH F 3 . ? -108.154 -27.193 -42.203 1.00 48.44 ? 2027 HOH A O 1 +HETATM 3553 O O . HOH F 3 . ? -115.105 -24.498 -22.175 1.00 52.95 ? 2028 HOH A O 1 +HETATM 3554 O O . HOH F 3 . ? -107.094 -29.340 -19.249 1.00 25.91 ? 2029 HOH A O 1 +HETATM 3555 O O . HOH F 3 . ? -106.983 -34.440 -9.867 1.00 27.73 ? 2030 HOH A O 1 +HETATM 3556 O O . HOH F 3 . ? -105.976 -44.238 0.124 1.00 26.16 ? 2031 HOH A O 1 +HETATM 3557 O O . HOH F 3 . ? -106.829 -55.755 0.761 1.00 14.98 ? 2032 HOH A O 1 +HETATM 3558 O O . HOH F 3 . ? -109.490 -61.353 7.615 1.00 15.50 ? 2033 HOH A O 1 +HETATM 3559 O O . HOH F 3 . ? -108.291 -58.077 1.652 1.00 16.64 ? 2034 HOH A O 1 +HETATM 3560 O O . HOH F 3 . ? -114.422 -63.214 1.907 1.00 18.24 ? 2035 HOH A O 1 +HETATM 3561 O O . HOH F 3 . ? -121.362 -55.952 3.444 1.00 34.68 ? 2036 HOH A O 1 +HETATM 3562 O O . HOH F 3 . ? -117.156 -62.176 3.064 1.00 31.21 ? 2037 HOH A O 1 +HETATM 3563 O O . HOH F 3 . ? -114.722 -52.273 5.168 1.00 21.15 ? 2038 HOH A O 1 +HETATM 3564 O O . HOH F 3 . ? -118.288 -57.313 6.617 1.00 20.45 ? 2039 HOH A O 1 +HETATM 3565 O O . HOH F 3 . ? -123.572 -43.200 -7.369 1.00 26.02 ? 2040 HOH A O 1 +HETATM 3566 O O . HOH F 3 . ? -125.161 -49.113 -8.726 1.00 21.54 ? 2041 HOH A O 1 +HETATM 3567 O O . HOH F 3 . ? -127.695 -41.273 -8.830 1.00 30.05 ? 2042 HOH A O 1 +HETATM 3568 O O . HOH F 3 . ? -126.927 -34.402 -7.156 1.00 40.93 ? 2043 HOH A O 1 +HETATM 3569 O O . HOH F 3 . ? -122.652 -36.588 -0.943 1.00 20.41 ? 2044 HOH A O 1 +HETATM 3570 O O . HOH F 3 . ? -126.742 -28.976 -8.182 1.00 32.57 ? 2045 HOH A O 1 +HETATM 3571 O O . HOH F 3 . ? -117.182 -24.383 1.403 1.00 51.43 ? 2046 HOH A O 1 +HETATM 3572 O O . HOH G 3 . ? -50.365 -15.694 -117.730 1.00 74.05 ? 2001 HOH B O 1 +HETATM 3573 O O . HOH G 3 . ? -47.299 -16.018 -116.996 1.00 31.61 ? 2002 HOH B O 1 +HETATM 3574 O O . HOH G 3 . ? -57.706 -4.549 -120.292 1.00 46.24 ? 2003 HOH B O 1 +HETATM 3575 O O . HOH G 3 . ? -64.760 -7.162 -120.119 1.00 52.07 ? 2004 HOH B O 1 +HETATM 3576 O O . HOH G 3 . ? -63.950 -11.948 -118.919 1.00 39.21 ? 2005 HOH B O 1 +HETATM 3577 O O . HOH G 3 . ? -66.639 -13.822 -116.063 1.00 35.44 ? 2006 HOH B O 1 +HETATM 3578 O O . HOH G 3 . ? -77.586 6.095 -96.475 1.00 42.87 ? 2007 HOH B O 1 +HETATM 3579 O O . HOH G 3 . ? -73.002 8.663 -110.599 1.00 41.07 ? 2008 HOH B O 1 +HETATM 3580 O O . HOH G 3 . ? -66.405 -5.392 -91.562 1.00 38.49 ? 2009 HOH B O 1 +HETATM 3581 O O . HOH G 3 . ? -70.370 -14.151 -112.735 1.00 21.89 ? 2010 HOH B O 1 +HETATM 3582 O O . HOH G 3 . ? -44.834 -34.137 -109.748 1.00 44.69 ? 2011 HOH B O 1 +HETATM 3583 O O . HOH G 3 . ? -70.588 -7.739 -120.553 1.00 64.10 ? 2012 HOH B O 1 +HETATM 3584 O O . HOH G 3 . ? -67.843 -1.447 -114.257 1.00 23.92 ? 2013 HOH B O 1 +HETATM 3585 O O . HOH G 3 . ? -58.163 -0.113 -117.394 1.00 29.51 ? 2014 HOH B O 1 +HETATM 3586 O O . HOH G 3 . ? -58.954 2.092 -113.924 1.00 32.95 ? 2015 HOH B O 1 +HETATM 3587 O O . HOH G 3 . ? -55.347 1.336 -104.606 1.00 32.14 ? 2016 HOH B O 1 +HETATM 3588 O O . HOH G 3 . ? -50.434 3.938 -107.849 1.00 25.46 ? 2017 HOH B O 1 +HETATM 3589 O O . HOH G 3 . ? -49.492 -9.860 -108.464 1.00 46.60 ? 2018 HOH B O 1 +HETATM 3590 O O . HOH G 3 . ? -51.989 -1.929 -105.845 1.00 27.29 ? 2019 HOH B O 1 +HETATM 3591 O O . HOH G 3 . ? -62.196 1.147 -113.866 1.00 51.27 ? 2020 HOH B O 1 +HETATM 3592 O O . HOH G 3 . ? -71.668 4.038 -111.938 1.00 58.76 ? 2021 HOH B O 1 +HETATM 3593 O O . HOH G 3 . ? -73.770 1.471 -110.455 1.00 57.06 ? 2022 HOH B O 1 +HETATM 3594 O O . HOH G 3 . ? -60.156 1.153 -102.795 1.00 29.70 ? 2023 HOH B O 1 +HETATM 3595 O O . HOH G 3 . ? -63.053 0.066 -102.049 1.00 36.90 ? 2024 HOH B O 1 +HETATM 3596 O O . HOH G 3 . ? -63.708 1.879 -99.952 1.00 21.23 ? 2025 HOH B O 1 +HETATM 3597 O O . HOH G 3 . ? -67.907 1.829 -98.526 1.00 27.43 ? 2026 HOH B O 1 +HETATM 3598 O O . HOH G 3 . ? -72.396 -0.626 -106.809 1.00 29.28 ? 2027 HOH B O 1 +HETATM 3599 O O . HOH G 3 . ? -70.911 4.792 -107.462 1.00 22.19 ? 2028 HOH B O 1 +HETATM 3600 O O . HOH G 3 . ? -73.658 -3.654 -108.915 1.00 33.64 ? 2029 HOH B O 1 +HETATM 3601 O O . HOH G 3 . ? -47.298 -10.339 -106.708 1.00 41.73 ? 2030 HOH B O 1 +HETATM 3602 O O . HOH G 3 . ? -41.111 -17.833 -105.518 1.00 34.25 ? 2031 HOH B O 1 +HETATM 3603 O O . HOH G 3 . ? -38.406 -16.329 -104.025 1.00 35.21 ? 2032 HOH B O 1 +HETATM 3604 O O . HOH G 3 . ? -44.687 -17.235 -109.322 1.00 51.10 ? 2033 HOH B O 1 +HETATM 3605 O O . HOH G 3 . ? -43.696 -16.745 -106.521 1.00 71.15 ? 2034 HOH B O 1 +HETATM 3606 O O . HOH G 3 . ? -49.272 -21.319 -109.186 1.00 31.67 ? 2035 HOH B O 1 +HETATM 3607 O O . HOH G 3 . ? -43.931 -20.286 -109.513 1.00 28.54 ? 2036 HOH B O 1 +HETATM 3608 O O . HOH G 3 . ? -61.562 -7.786 -98.908 1.00 45.08 ? 2037 HOH B O 1 +HETATM 3609 O O . HOH G 3 . ? -60.578 -5.595 -99.314 1.00 26.99 ? 2038 HOH B O 1 +HETATM 3610 O O . HOH G 3 . ? -74.123 0.537 -101.897 1.00 15.94 ? 2039 HOH B O 1 +HETATM 3611 O O . HOH G 3 . ? -81.177 1.673 -96.832 1.00 24.46 ? 2040 HOH B O 1 +HETATM 3612 O O . HOH G 3 . ? -82.806 -1.078 -104.642 1.00 55.30 ? 2041 HOH B O 1 +HETATM 3613 O O . HOH G 3 . ? -78.226 8.744 -107.101 1.00 45.03 ? 2042 HOH B O 1 +HETATM 3614 O O . HOH G 3 . ? -75.067 9.854 -108.649 1.00 33.19 ? 2043 HOH B O 1 +HETATM 3615 O O . HOH G 3 . ? -79.577 5.323 -106.866 1.00 33.32 ? 2044 HOH B O 1 +HETATM 3616 O O . HOH G 3 . ? -71.291 5.595 -100.649 1.00 27.23 ? 2045 HOH B O 1 +HETATM 3617 O O . HOH G 3 . ? -77.101 8.339 -99.206 1.00 81.56 ? 2046 HOH B O 1 +HETATM 3618 O O . HOH G 3 . ? -71.793 2.698 -100.120 1.00 26.18 ? 2047 HOH B O 1 +HETATM 3619 O O . HOH G 3 . ? -70.339 2.675 -97.501 1.00 42.29 ? 2048 HOH B O 1 +HETATM 3620 O O . HOH G 3 . ? -78.382 4.900 -99.735 1.00 26.79 ? 2049 HOH B O 1 +HETATM 3621 O O . HOH G 3 . ? -76.851 3.831 -94.413 1.00 34.00 ? 2050 HOH B O 1 +HETATM 3622 O O . HOH G 3 . ? -68.495 3.979 -91.153 1.00 35.04 ? 2051 HOH B O 1 +HETATM 3623 O O . HOH G 3 . ? -68.409 1.195 -90.553 1.00 23.22 ? 2052 HOH B O 1 +HETATM 3624 O O . HOH G 3 . ? -71.584 -0.183 -101.077 1.00 17.16 ? 2053 HOH B O 1 +HETATM 3625 O O . HOH G 3 . ? -68.796 -5.811 -93.451 1.00 37.34 ? 2054 HOH B O 1 +HETATM 3626 O O . HOH G 3 . ? -72.738 -6.911 -99.945 1.00 12.47 ? 2055 HOH B O 1 +HETATM 3627 O O . HOH G 3 . ? -66.021 -2.363 -93.120 1.00 63.40 ? 2056 HOH B O 1 +HETATM 3628 O O . HOH G 3 . ? -64.644 -0.916 -98.281 1.00 19.10 ? 2057 HOH B O 1 +HETATM 3629 O O . HOH G 3 . ? -60.923 -8.295 -96.796 1.00 48.34 ? 2058 HOH B O 1 +HETATM 3630 O O . HOH G 3 . ? -45.871 -23.200 -105.702 1.00 7.59 ? 2059 HOH B O 1 +HETATM 3631 O O . HOH G 3 . ? -44.934 -24.222 -107.907 1.00 7.51 ? 2060 HOH B O 1 +HETATM 3632 O O . HOH G 3 . ? -47.730 -32.808 -112.472 1.00 49.82 ? 2061 HOH B O 1 +HETATM 3633 O O . HOH G 3 . ? -47.673 -29.500 -115.476 1.00 28.62 ? 2062 HOH B O 1 +HETATM 3634 O O . HOH G 3 . ? -45.661 -32.222 -108.392 1.00 37.61 ? 2063 HOH B O 1 +HETATM 3635 O O . HOH G 3 . ? -51.167 -24.367 -116.897 1.00 28.64 ? 2064 HOH B O 1 +HETATM 3636 O O . HOH G 3 . ? -57.526 -25.087 -114.478 1.00 57.95 ? 2065 HOH B O 1 +HETATM 3637 O O . HOH G 3 . ? -70.199 -26.106 -102.598 1.00 17.00 ? 2066 HOH B O 1 +HETATM 3638 O O . HOH G 3 . ? -75.788 -22.044 -105.762 1.00 35.09 ? 2067 HOH B O 1 +HETATM 3639 O O . HOH G 3 . ? -79.895 -20.643 -102.377 1.00 26.21 ? 2068 HOH B O 1 +HETATM 3640 O O . HOH G 3 . ? -83.495 -16.596 -96.551 1.00 37.56 ? 2069 HOH B O 1 +HETATM 3641 O O . HOH H 3 . ? -99.380 -73.345 -27.366 1.00 48.26 ? 2001 HOH C O 1 +HETATM 3642 O O . HOH H 3 . ? -80.463 -86.956 -27.363 1.00 50.09 ? 2002 HOH C O 1 +HETATM 3643 O O . HOH H 3 . ? -101.720 -67.039 -42.986 1.00 27.99 ? 2003 HOH C O 1 +HETATM 3644 O O . HOH H 3 . ? -111.494 -36.299 -37.639 1.00 42.07 ? 2004 HOH C O 1 +HETATM 3645 O O . HOH H 3 . ? -89.872 -63.388 -22.030 1.00 57.11 ? 2005 HOH C O 1 +HETATM 3646 O O . HOH H 3 . ? -92.202 -59.874 -23.471 1.00 35.36 ? 2006 HOH C O 1 +HETATM 3647 O O . HOH H 3 . ? -97.495 -52.022 -24.961 1.00 24.20 ? 2007 HOH C O 1 +HETATM 3648 O O . HOH H 3 . ? -89.858 -60.452 -26.219 1.00 63.24 ? 2008 HOH C O 1 +HETATM 3649 O O . HOH H 3 . ? -96.980 -72.280 -27.333 1.00 22.97 ? 2009 HOH C O 1 +HETATM 3650 O O . HOH H 3 . ? -93.886 -74.348 -33.739 1.00 20.19 ? 2010 HOH C O 1 +HETATM 3651 O O . HOH H 3 . ? -91.471 -75.278 -32.182 1.00 18.82 ? 2011 HOH C O 1 +HETATM 3652 O O . HOH H 3 . ? -92.077 -72.872 -27.920 1.00 32.03 ? 2012 HOH C O 1 +HETATM 3653 O O . HOH H 3 . ? -82.040 -72.444 -32.437 1.00 41.14 ? 2013 HOH C O 1 +HETATM 3654 O O . HOH H 3 . ? -91.077 -77.666 -33.688 1.00 53.27 ? 2014 HOH C O 1 +HETATM 3655 O O . HOH H 3 . ? -91.719 -74.934 -35.478 1.00 30.67 ? 2015 HOH C O 1 +HETATM 3656 O O . HOH H 3 . ? -93.073 -74.176 -40.142 1.00 35.94 ? 2016 HOH C O 1 +HETATM 3657 O O . HOH H 3 . ? -97.965 -49.202 -23.551 1.00 39.06 ? 2017 HOH C O 1 +HETATM 3658 O O . HOH H 3 . ? -101.689 -46.209 -26.743 1.00 34.40 ? 2018 HOH C O 1 +HETATM 3659 O O . HOH H 3 . ? -83.094 -78.310 -42.708 1.00 61.02 ? 2019 HOH C O 1 +HETATM 3660 O O . HOH H 3 . ? -89.464 -74.564 -41.019 1.00 30.65 ? 2020 HOH C O 1 +HETATM 3661 O O . HOH H 3 . ? -77.264 -88.887 -28.853 1.00 52.81 ? 2021 HOH C O 1 +HETATM 3662 O O . HOH H 3 . ? -75.649 -80.742 -31.187 1.00 47.18 ? 2022 HOH C O 1 +HETATM 3663 O O . HOH H 3 . ? -82.342 -84.496 -28.538 1.00 59.02 ? 2023 HOH C O 1 +HETATM 3664 O O . HOH H 3 . ? -81.579 -73.851 -45.048 1.00 29.15 ? 2024 HOH C O 1 +HETATM 3665 O O . HOH H 3 . ? -80.797 -66.379 -38.604 1.00 42.91 ? 2025 HOH C O 1 +HETATM 3666 O O . HOH H 3 . ? -85.215 -57.272 -39.950 1.00 28.49 ? 2026 HOH C O 1 +HETATM 3667 O O . HOH H 3 . ? -108.609 -37.094 -37.537 1.00 16.74 ? 2027 HOH C O 1 +HETATM 3668 O O . HOH H 3 . ? -105.575 -41.734 -32.197 1.00 18.33 ? 2028 HOH C O 1 +HETATM 3669 O O . HOH H 3 . ? -112.954 -40.341 -39.062 1.00 42.62 ? 2029 HOH C O 1 +HETATM 3670 O O . HOH H 3 . ? -111.367 -47.243 -29.755 1.00 39.09 ? 2030 HOH C O 1 +HETATM 3671 O O . HOH H 3 . ? -115.125 -40.816 -37.460 1.00 42.02 ? 2031 HOH C O 1 +HETATM 3672 O O . HOH H 3 . ? -114.231 -43.308 -36.435 1.00 40.13 ? 2032 HOH C O 1 +HETATM 3673 O O . HOH H 3 . ? -112.391 -50.364 -34.721 1.00 51.06 ? 2033 HOH C O 1 +HETATM 3674 O O . HOH H 3 . ? -105.805 -60.183 -44.633 1.00 64.17 ? 2034 HOH C O 1 +HETATM 3675 O O . HOH H 3 . ? -103.368 -59.657 -44.231 1.00 30.35 ? 2035 HOH C O 1 +HETATM 3676 O O . HOH H 3 . ? -98.060 -63.243 -53.535 1.00 60.25 ? 2036 HOH C O 1 +HETATM 3677 O O . HOH H 3 . ? -103.631 -62.877 -49.988 1.00 24.37 ? 2037 HOH C O 1 +HETATM 3678 O O . HOH H 3 . ? -104.075 -55.104 -56.768 1.00 30.27 ? 2038 HOH C O 1 +HETATM 3679 O O . HOH H 3 . ? -97.289 -55.068 -52.904 1.00 17.93 ? 2039 HOH C O 1 +HETATM 3680 O O . HOH H 3 . ? -93.741 -65.016 -56.579 1.00 42.23 ? 2040 HOH C O 1 +HETATM 3681 O O . HOH I 3 . ? -110.046 -25.674 0.927 1.00 65.28 ? 2001 HOH R O 1 +#