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*** ***elNémo ID: 260407192152468825Job options:ID = 260407192152468825 JOBID = USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:data_9HUB # _entry.id 9HUB # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.407 _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 9HUB pdb_00009hub 10.2210/pdb9hub/pdb WWPDB D_1292144249 ? ? # _pdbx_audit_revision_history.ordinal 1 _pdbx_audit_revision_history.data_content_type 'Structure model' _pdbx_audit_revision_history.major_revision 1 _pdbx_audit_revision_history.minor_revision 0 _pdbx_audit_revision_history.revision_date 2025-11-19 _pdbx_audit_revision_history.part_number ? # _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 ? # _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.entry_id 9HUB _pdbx_database_status.recvd_initial_deposition_date 2024-12-21 _pdbx_database_status.SG_entry N _pdbx_database_status.deposit_site PDBE _pdbx_database_status.process_site PDBE _pdbx_database_status.status_code_cs ? _pdbx_database_status.status_code_nmr_data ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # _pdbx_database_related.db_name PDB _pdbx_database_related.details 'pH 4.5' _pdbx_database_related.db_id 9FYS _pdbx_database_related.content_type unspecified # _pdbx_contact_author.id 2 _pdbx_contact_author.email premo@dtu.dk _pdbx_contact_author.name_first 'Jens Preben' _pdbx_contact_author.name_last Morth _pdbx_contact_author.name_mi ? _pdbx_contact_author.role 'principal investigator/group leader' _pdbx_contact_author.identifier_ORCID 0000-0003-4077-0192 # loop_ _audit_author.name _audit_author.pdbx_ordinal _audit_author.identifier_ORCID 'Wade, J.W.' 1 0000-0001-5465-7399 'Bohn, M.F.' 2 0000-0002-0369-1922 'Laustsen, A.H.' 3 0000-0001-6918-5574 'Morth, J.P.' 4 0000-0003-4077-0192 # _citation.abstract ? _citation.abstract_id_CAS ? _citation.book_id_ISBN ? _citation.book_publisher ? _citation.book_publisher_city ? _citation.book_title ? _citation.coordinate_linkage ? _citation.country US _citation.database_id_Medline ? _citation.details ? _citation.id primary _citation.journal_abbrev Mabs _citation.journal_id_ASTM ? _citation.journal_id_CSD ? _citation.journal_id_ISSN 1942-0870 _citation.journal_full ? _citation.journal_issue ? _citation.journal_volume 17 _citation.language ? _citation.page_first 2553624 _citation.page_last 2553624 _citation.title ;Rational design of antibodies with pH-dependent antigen-binding properties using structural insights from broadly neutralizing antibodies against alpha-neurotoxins. ; _citation.year 2025 _citation.database_id_CSD ? _citation.pdbx_database_id_DOI 10.1080/19420862.2025.2553624 _citation.pdbx_database_id_PubMed 40936197 _citation.pdbx_database_id_patent ? _citation.unpublished_flag ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal _citation_author.identifier_ORCID primary 'Wade, J.' 1 0000-0001-5465-7399 primary 'Strancar, N.' 2 0009-0003-3902-0084 primary 'Fernandez-Quintero, M.L.' 3 0000-0002-6811-6283 primary 'Siebenhaar, S.' 4 0009-0005-3307-8423 primary 'Jansen, T.' 5 0000-0001-8006-8627 primary 'Meier, E.P.W.' 6 0000-0002-0287-6693 primary 'Jenkins, T.P.' 7 0000-0003-2979-5663 primary 'Bjorn, S.P.' 8 0000-0003-3341-6160 primary 'Nguyen, G.T.T.' 9 0000-0002-3536-9903 primary 'Lomonte, B.' 10 0000-0003-2419-6469 primary 'Gutierrez, J.M.' 11 0000-0001-8385-3081 primary 'Sorensen, C.V.' 12 0000-0001-7727-936X primary 'Loeffler, J.R.' 13 0000-0002-5724-655X primary 'Paul, A.' 14 0000-0001-9293-7519 primary 'Tulika, T.' 15 0000-0001-7345-8037 primary 'Arnsdorf, J.' 16 0000-0002-2738-0811 primary 'Schoffelen, S.' 17 0000-0003-2664-8561 primary 'Lundquist, E.V.S.' 18 0009-0008-4634-4665 primary 'Sorensen, J.' 19 0009-0003-2271-3466 primary 'Ward, A.B.' 20 0000-0001-7153-3769 primary 'Voldborg, B.G.' 21 0000-0002-7005-1642 primary 'Bohn, M.F.' 22 0000-0002-0369-1922 primary 'Rivera-de-Torre, E.' 23 0000-0002-0272-6150 primary 'Morth, J.P.' 24 0000-0003-4077-0192 primary 'Laustsen, A.H.' 25 0000-0001-6918-5574 # 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 'heavy chain' 13187.223 2 ? ? ? ? 2 polymer nat Alpha-bungarotoxin 10297.157 2 ? ? ? ? 3 polymer man 'light chain' 15073.576 2 ? ? ? ? 4 non-polymer syn 1,2-ETHANEDIOL 62.068 7 ? ? ? ? 5 water nat water 18.015 961 ? ? ? ? # _entity_name_com.entity_id 2 _entity_name_com.name ;Alpha-Bgtx,Alpha-Btx,Alpha-bungarotoxin,isoform A31,Alpha-BTX A31,Alpha-BgTx(A31),Alpha-bungarotoxin (A31),BGTX A31,Alpha-elapitoxin-Bm2a,Alpha-EPTX-Bm2a,Long neurotoxin 1 ; # 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 ;GASNFMLTQPRSVSESPGKTVTISCTRSSGSIGSDYVHWYQQRPGSSPTTVIYEDNQRPSGVPDRFSGSIDSSSNSASLT ISGLKTEDEADYYCQSYDRSNHEVVFGGGTKLTVLENLYFQ ; ;GASNFMLTQPRSVSESPGKTVTISCTRSSGSIGSDYVHWYQQRPGSSPTTVIYEDNQRPSGVPDRFSGSIDSSSNSASLT ISGLKTEDEADYYCQSYDRSNHEVVFGGGTKLTVLENLYFQ ; C,M ? 2 'polypeptide(L)' no no ;MKTLLLTLVVVTIVCLDLGYTIVCHTTATSPISAVTCPPGENLCYRKMWCDAFCSSRGKVVELGCAATCPSKKPYEEVTC CSTDKCNPHPKQRPG ; ;MKTLLLTLVVVTIVCLDLGYTIVCHTTATSPISAVTCPPGENLCYRKMWCDAFCSSRGKVVELGCAATCPSKKPYEEVTC CSTDKCNPHPKQRPG ; X,Z ? 3 'polypeptide(L)' no no ;AQVQLVQSGAEVKKPGSSVKVSCKASGGTFSSYAISWVRQAPGQGLEWMGGIIPIFGTANYAQKFQGRVTITADESTSTA YMELRSLRSDDTAVYYCARDNLGYCSGGSCYSDYYYYYMDVWGQGTLVTVSSGGGGSGGGGSGG ; ;AQVQLVQSGAEVKKPGSSVKVSCKASGGTFSSYAISWVRQAPGQGLEWMGGIIPIFGTANYAQKFQGRVTITADESTSTA YMELRSLRSDDTAVYYCARDNLGYCSGGSCYSDYYYYYMDVWGQGTLVTVSSGGGGSGGGGSGG ; I,B ? # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 4 1,2-ETHANEDIOL EDO 5 water HOH # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 GLY n 1 2 ALA n 1 3 SER n 1 4 ASN n 1 5 PHE n 1 6 MET n 1 7 LEU n 1 8 THR n 1 9 GLN n 1 10 PRO n 1 11 ARG n 1 12 SER n 1 13 VAL n 1 14 SER n 1 15 GLU n 1 16 SER n 1 17 PRO n 1 18 GLY n 1 19 LYS n 1 20 THR n 1 21 VAL n 1 22 THR n 1 23 ILE n 1 24 SER n 1 25 CYS n 1 26 THR n 1 27 ARG n 1 28 SER n 1 29 SER n 1 30 GLY n 1 31 SER n 1 32 ILE n 1 33 GLY n 1 34 SER n 1 35 ASP n 1 36 TYR n 1 37 VAL n 1 38 HIS n 1 39 TRP n 1 40 TYR n 1 41 GLN n 1 42 GLN n 1 43 ARG n 1 44 PRO n 1 45 GLY n 1 46 SER n 1 47 SER n 1 48 PRO n 1 49 THR n 1 50 THR n 1 51 VAL n 1 52 ILE n 1 53 TYR n 1 54 GLU n 1 55 ASP n 1 56 ASN n 1 57 GLN n 1 58 ARG n 1 59 PRO n 1 60 SER n 1 61 GLY n 1 62 VAL n 1 63 PRO n 1 64 ASP n 1 65 ARG n 1 66 PHE n 1 67 SER n 1 68 GLY n 1 69 SER n 1 70 ILE n 1 71 ASP n 1 72 SER n 1 73 SER n 1 74 SER n 1 75 ASN n 1 76 SER n 1 77 ALA n 1 78 SER n 1 79 LEU n 1 80 THR n 1 81 ILE n 1 82 SER n 1 83 GLY n 1 84 LEU n 1 85 LYS n 1 86 THR n 1 87 GLU n 1 88 ASP n 1 89 GLU n 1 90 ALA n 1 91 ASP n 1 92 TYR n 1 93 TYR n 1 94 CYS n 1 95 GLN n 1 96 SER n 1 97 TYR n 1 98 ASP n 1 99 ARG n 1 100 SER n 1 101 ASN n 1 102 HIS n 1 103 GLU n 1 104 VAL n 1 105 VAL n 1 106 PHE n 1 107 GLY n 1 108 GLY n 1 109 GLY n 1 110 THR n 1 111 LYS n 1 112 LEU n 1 113 THR n 1 114 VAL n 1 115 LEU n 1 116 GLU n 1 117 ASN n 1 118 LEU n 1 119 TYR n 1 120 PHE n 1 121 GLN n 2 1 MET n 2 2 LYS n 2 3 THR n 2 4 LEU n 2 5 LEU n 2 6 LEU n 2 7 THR n 2 8 LEU n 2 9 VAL n 2 10 VAL n 2 11 VAL n 2 12 THR n 2 13 ILE n 2 14 VAL n 2 15 CYS n 2 16 LEU n 2 17 ASP n 2 18 LEU n 2 19 GLY n 2 20 TYR n 2 21 THR n 2 22 ILE n 2 23 VAL n 2 24 CYS n 2 25 HIS n 2 26 THR n 2 27 THR n 2 28 ALA n 2 29 THR n 2 30 SER n 2 31 PRO n 2 32 ILE n 2 33 SER n 2 34 ALA n 2 35 VAL n 2 36 THR n 2 37 CYS n 2 38 PRO n 2 39 PRO n 2 40 GLY n 2 41 GLU n 2 42 ASN n 2 43 LEU n 2 44 CYS n 2 45 TYR n 2 46 ARG n 2 47 LYS n 2 48 MET n 2 49 TRP n 2 50 CYS n 2 51 ASP n 2 52 ALA n 2 53 PHE n 2 54 CYS n 2 55 SER n 2 56 SER n 2 57 ARG n 2 58 GLY n 2 59 LYS n 2 60 VAL n 2 61 VAL n 2 62 GLU n 2 63 LEU n 2 64 GLY n 2 65 CYS n 2 66 ALA n 2 67 ALA n 2 68 THR n 2 69 CYS n 2 70 PRO n 2 71 SER n 2 72 LYS n 2 73 LYS n 2 74 PRO n 2 75 TYR n 2 76 GLU n 2 77 GLU n 2 78 VAL n 2 79 THR n 2 80 CYS n 2 81 CYS n 2 82 SER n 2 83 THR n 2 84 ASP n 2 85 LYS n 2 86 CYS n 2 87 ASN n 2 88 PRO n 2 89 HIS n 2 90 PRO n 2 91 LYS n 2 92 GLN n 2 93 ARG n 2 94 PRO n 2 95 GLY n 3 1 ALA n 3 2 GLN n 3 3 VAL n 3 4 GLN n 3 5 LEU n 3 6 VAL n 3 7 GLN n 3 8 SER n 3 9 GLY n 3 10 ALA n 3 11 GLU n 3 12 VAL n 3 13 LYS n 3 14 LYS n 3 15 PRO n 3 16 GLY n 3 17 SER n 3 18 SER n 3 19 VAL n 3 20 LYS n 3 21 VAL n 3 22 SER n 3 23 CYS n 3 24 LYS n 3 25 ALA n 3 26 SER n 3 27 GLY n 3 28 GLY n 3 29 THR n 3 30 PHE n 3 31 SER n 3 32 SER n 3 33 TYR n 3 34 ALA n 3 35 ILE n 3 36 SER n 3 37 TRP n 3 38 VAL n 3 39 ARG n 3 40 GLN n 3 41 ALA n 3 42 PRO n 3 43 GLY n 3 44 GLN n 3 45 GLY n 3 46 LEU n 3 47 GLU n 3 48 TRP n 3 49 MET n 3 50 GLY n 3 51 GLY n 3 52 ILE n 3 53 ILE n 3 54 PRO n 3 55 ILE n 3 56 PHE n 3 57 GLY n 3 58 THR n 3 59 ALA n 3 60 ASN n 3 61 TYR n 3 62 ALA n 3 63 GLN n 3 64 LYS n 3 65 PHE n 3 66 GLN n 3 67 GLY n 3 68 ARG n 3 69 VAL n 3 70 THR n 3 71 ILE n 3 72 THR n 3 73 ALA n 3 74 ASP n 3 75 GLU n 3 76 SER n 3 77 THR n 3 78 SER n 3 79 THR n 3 80 ALA n 3 81 TYR n 3 82 MET n 3 83 GLU n 3 84 LEU n 3 85 ARG n 3 86 SER n 3 87 LEU n 3 88 ARG n 3 89 SER n 3 90 ASP n 3 91 ASP n 3 92 THR n 3 93 ALA n 3 94 VAL n 3 95 TYR n 3 96 TYR n 3 97 CYS n 3 98 ALA n 3 99 ARG n 3 100 ASP n 3 101 ASN n 3 102 LEU n 3 103 GLY n 3 104 TYR n 3 105 CYS n 3 106 SER n 3 107 GLY n 3 108 GLY n 3 109 SER n 3 110 CYS n 3 111 TYR n 3 112 SER n 3 113 ASP n 3 114 TYR n 3 115 TYR n 3 116 TYR n 3 117 TYR n 3 118 TYR n 3 119 MET n 3 120 ASP n 3 121 VAL n 3 122 TRP n 3 123 GLY n 3 124 GLN n 3 125 GLY n 3 126 THR n 3 127 LEU n 3 128 VAL n 3 129 THR n 3 130 VAL n 3 131 SER n 3 132 SER n 3 133 GLY n 3 134 GLY n 3 135 GLY n 3 136 GLY n 3 137 SER n 3 138 GLY n 3 139 GLY n 3 140 GLY n 3 141 GLY n 3 142 SER n 3 143 GLY n 3 144 GLY n # loop_ _entity_src_gen.entity_id _entity_src_gen.pdbx_src_id _entity_src_gen.pdbx_alt_source_flag _entity_src_gen.pdbx_seq_type _entity_src_gen.pdbx_beg_seq_num _entity_src_gen.pdbx_end_seq_num _entity_src_gen.gene_src_common_name _entity_src_gen.gene_src_genus _entity_src_gen.pdbx_gene_src_gene _entity_src_gen.gene_src_species _entity_src_gen.gene_src_strain _entity_src_gen.gene_src_tissue _entity_src_gen.gene_src_tissue_fraction _entity_src_gen.gene_src_details _entity_src_gen.pdbx_gene_src_fragment _entity_src_gen.pdbx_gene_src_scientific_name _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id _entity_src_gen.pdbx_gene_src_variant _entity_src_gen.pdbx_gene_src_cell_line _entity_src_gen.pdbx_gene_src_atcc _entity_src_gen.pdbx_gene_src_organ _entity_src_gen.pdbx_gene_src_organelle _entity_src_gen.pdbx_gene_src_cell _entity_src_gen.pdbx_gene_src_cellular_location _entity_src_gen.host_org_common_name _entity_src_gen.pdbx_host_org_scientific_name _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id _entity_src_gen.host_org_genus _entity_src_gen.pdbx_host_org_gene _entity_src_gen.pdbx_host_org_organ _entity_src_gen.host_org_species _entity_src_gen.pdbx_host_org_tissue _entity_src_gen.pdbx_host_org_tissue_fraction _entity_src_gen.pdbx_host_org_strain _entity_src_gen.pdbx_host_org_variant _entity_src_gen.pdbx_host_org_cell_line _entity_src_gen.pdbx_host_org_atcc _entity_src_gen.pdbx_host_org_culture_collection _entity_src_gen.pdbx_host_org_cell _entity_src_gen.pdbx_host_org_organelle _entity_src_gen.pdbx_host_org_cellular_location _entity_src_gen.pdbx_host_org_vector_type _entity_src_gen.pdbx_host_org_vector _entity_src_gen.host_org_details _entity_src_gen.expression_system_id _entity_src_gen.plasmid_name _entity_src_gen.plasmid_details _entity_src_gen.pdbx_description 1 1 sample 'Biological sequence' 1 121 ? ? ? ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? Escherichia 561 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 3 1 sample 'Biological sequence' 1 144 ? ? ? ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? Escherichia 561 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? # _entity_src_nat.entity_id 2 _entity_src_nat.pdbx_src_id 1 _entity_src_nat.pdbx_alt_source_flag sample _entity_src_nat.pdbx_beg_seq_num 1 _entity_src_nat.pdbx_end_seq_num 95 _entity_src_nat.common_name 'many-banded krait' _entity_src_nat.pdbx_organism_scientific 'Bungarus multicinctus' _entity_src_nat.pdbx_ncbi_taxonomy_id 8616 _entity_src_nat.genus ? _entity_src_nat.species ? _entity_src_nat.strain ? _entity_src_nat.tissue ? _entity_src_nat.tissue_fraction ? _entity_src_nat.pdbx_secretion ? _entity_src_nat.pdbx_fragment ? _entity_src_nat.pdbx_variant ? _entity_src_nat.pdbx_cell_line ? _entity_src_nat.pdbx_atcc ? _entity_src_nat.pdbx_cellular_location ? _entity_src_nat.pdbx_organ ? _entity_src_nat.pdbx_organelle ? _entity_src_nat.pdbx_cell ? _entity_src_nat.pdbx_plasmid_name ? _entity_src_nat.pdbx_plasmid_details ? _entity_src_nat.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 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 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 EDO non-polymer . 1,2-ETHANEDIOL 'ETHYLENE GLYCOL' 'C2 H6 O2' 62.068 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 GLY 1 144 ? ? ? C . n A 1 2 ALA 2 145 145 ALA ALA C . n A 1 3 SER 3 146 146 SER SER C . n A 1 4 ASN 4 147 147 ASN ASN C . n A 1 5 PHE 5 148 148 PHE PHE C . n A 1 6 MET 6 149 149 MET MET C . n A 1 7 LEU 7 150 150 LEU LEU C . n A 1 8 THR 8 151 151 THR THR C . n A 1 9 GLN 9 152 152 GLN GLN C . n A 1 10 PRO 10 153 153 PRO PRO C . n A 1 11 ARG 11 154 154 ARG ARG C . n A 1 12 SER 12 155 155 SER SER C . n A 1 13 VAL 13 156 156 VAL VAL C . n A 1 14 SER 14 157 157 SER SER C . n A 1 15 GLU 15 158 158 GLU GLU C . n A 1 16 SER 16 159 159 SER SER C . n A 1 17 PRO 17 160 160 PRO PRO C . n A 1 18 GLY 18 161 161 GLY GLY C . n A 1 19 LYS 19 162 162 LYS LYS C . n A 1 20 THR 20 163 163 THR THR C . n A 1 21 VAL 21 164 164 VAL VAL C . n A 1 22 THR 22 165 165 THR THR C . n A 1 23 ILE 23 166 166 ILE ILE C . n A 1 24 SER 24 167 167 SER SER C . n A 1 25 CYS 25 168 168 CYS CYS C . n A 1 26 THR 26 169 169 THR THR C . n A 1 27 ARG 27 170 170 ARG ARG C . n A 1 28 SER 28 171 171 SER SER C . n A 1 29 SER 29 172 172 SER SER C . n A 1 30 GLY 30 173 173 GLY GLY C . n A 1 31 SER 31 174 174 SER SER C . n A 1 32 ILE 32 175 175 ILE ILE C . n A 1 33 GLY 33 176 176 GLY GLY C . n A 1 34 SER 34 177 177 SER SER C . n A 1 35 ASP 35 178 178 ASP ASP C . n A 1 36 TYR 36 179 179 TYR TYR C . n A 1 37 VAL 37 180 180 VAL VAL C . n A 1 38 HIS 38 181 181 HIS HIS C . n A 1 39 TRP 39 182 182 TRP TRP C . n A 1 40 TYR 40 183 183 TYR TYR C . n A 1 41 GLN 41 184 184 GLN GLN C . n A 1 42 GLN 42 185 185 GLN GLN C . n A 1 43 ARG 43 186 186 ARG ARG C . n A 1 44 PRO 44 187 187 PRO PRO C . n A 1 45 GLY 45 188 188 GLY GLY C . n A 1 46 SER 46 189 189 SER SER C . n A 1 47 SER 47 190 190 SER SER C . n A 1 48 PRO 48 191 191 PRO PRO C . n A 1 49 THR 49 192 192 THR THR C . n A 1 50 THR 50 193 193 THR THR C . n A 1 51 VAL 51 194 194 VAL VAL C . n A 1 52 ILE 52 195 195 ILE ILE C . n A 1 53 TYR 53 196 196 TYR TYR C . n A 1 54 GLU 54 197 197 GLU GLU C . n A 1 55 ASP 55 198 198 ASP ASP C . n A 1 56 ASN 56 199 199 ASN ASN C . n A 1 57 GLN 57 200 200 GLN GLN C . n A 1 58 ARG 58 201 201 ARG ARG C . n A 1 59 PRO 59 202 202 PRO PRO C . n A 1 60 SER 60 203 203 SER SER C . n A 1 61 GLY 61 204 204 GLY GLY C . n A 1 62 VAL 62 205 205 VAL VAL C . n A 1 63 PRO 63 206 206 PRO PRO C . n A 1 64 ASP 64 207 207 ASP ASP C . n A 1 65 ARG 65 208 208 ARG ARG C . n A 1 66 PHE 66 209 209 PHE PHE C . n A 1 67 SER 67 210 210 SER SER C . n A 1 68 GLY 68 211 211 GLY GLY C . n A 1 69 SER 69 212 212 SER SER C . n A 1 70 ILE 70 213 213 ILE ILE C . n A 1 71 ASP 71 214 214 ASP ASP C . n A 1 72 SER 72 215 215 SER SER C . n A 1 73 SER 73 216 216 SER SER C . n A 1 74 SER 74 217 217 SER SER C . n A 1 75 ASN 75 218 218 ASN ASN C . n A 1 76 SER 76 219 219 SER SER C . n A 1 77 ALA 77 220 220 ALA ALA C . n A 1 78 SER 78 221 221 SER SER C . n A 1 79 LEU 79 222 222 LEU LEU C . n A 1 80 THR 80 223 223 THR THR C . n A 1 81 ILE 81 224 224 ILE ILE C . n A 1 82 SER 82 225 225 SER SER C . n A 1 83 GLY 83 226 226 GLY GLY C . n A 1 84 LEU 84 227 227 LEU LEU C . n A 1 85 LYS 85 228 228 LYS LYS C . n A 1 86 THR 86 229 229 THR THR C . n A 1 87 GLU 87 230 230 GLU GLU C . n A 1 88 ASP 88 231 231 ASP ASP C . n A 1 89 GLU 89 232 232 GLU GLU C . n A 1 90 ALA 90 233 233 ALA ALA C . n A 1 91 ASP 91 234 234 ASP ASP C . n A 1 92 TYR 92 235 235 TYR TYR C . n A 1 93 TYR 93 236 236 TYR TYR C . n A 1 94 CYS 94 237 237 CYS CYS C . n A 1 95 GLN 95 238 238 GLN GLN C . n A 1 96 SER 96 239 239 SER SER C . n A 1 97 TYR 97 240 240 TYR TYR C . n A 1 98 ASP 98 241 241 ASP ASP C . n A 1 99 ARG 99 242 242 ARG ARG C . n A 1 100 SER 100 243 243 SER SER C . n A 1 101 ASN 101 244 244 ASN ASN C . n A 1 102 HIS 102 245 245 HIS HIS C . n A 1 103 GLU 103 246 246 GLU GLU C . n A 1 104 VAL 104 247 247 VAL VAL C . n A 1 105 VAL 105 248 248 VAL VAL C . n A 1 106 PHE 106 249 249 PHE PHE C . n A 1 107 GLY 107 250 250 GLY GLY C . n A 1 108 GLY 108 251 251 GLY GLY C . n A 1 109 GLY 109 252 252 GLY GLY C . n A 1 110 THR 110 253 253 THR THR C . n A 1 111 LYS 111 254 254 LYS LYS C . n A 1 112 LEU 112 255 255 LEU LEU C . n A 1 113 THR 113 256 256 THR THR C . n A 1 114 VAL 114 257 257 VAL VAL C . n A 1 115 LEU 115 258 258 LEU LEU C . n A 1 116 GLU 116 259 259 GLU GLU C . n A 1 117 ASN 117 260 260 ASN ASN C . n A 1 118 LEU 118 261 261 LEU LEU C . n A 1 119 TYR 119 262 262 TYR TYR C . n A 1 120 PHE 120 263 263 PHE PHE C . n A 1 121 GLN 121 264 ? ? ? C . n B 2 1 MET 1 -20 ? ? ? X . n B 2 2 LYS 2 -19 ? ? ? X . n B 2 3 THR 3 -18 ? ? ? X . n B 2 4 LEU 4 -17 ? ? ? X . n B 2 5 LEU 5 -16 ? ? ? X . n B 2 6 LEU 6 -15 ? ? ? X . n B 2 7 THR 7 -14 ? ? ? X . n B 2 8 LEU 8 -13 ? ? ? X . n B 2 9 VAL 9 -12 ? ? ? X . n B 2 10 VAL 10 -11 ? ? ? X . n B 2 11 VAL 11 -10 ? ? ? X . n B 2 12 THR 12 -9 ? ? ? X . n B 2 13 ILE 13 -8 ? ? ? X . n B 2 14 VAL 14 -7 ? ? ? X . n B 2 15 CYS 15 -6 ? ? ? X . n B 2 16 LEU 16 -5 ? ? ? X . n B 2 17 ASP 17 -4 ? ? ? X . n B 2 18 LEU 18 -3 ? ? ? X . n B 2 19 GLY 19 -2 ? ? ? X . n B 2 20 TYR 20 -1 ? ? ? X . n B 2 21 THR 21 0 ? ? ? X . n B 2 22 ILE 22 1 1 ILE ILE X . n B 2 23 VAL 23 2 2 VAL VAL X . n B 2 24 CYS 24 3 3 CYS CYS X . n B 2 25 HIS 25 4 4 HIS HIS X . n B 2 26 THR 26 5 5 THR THR X . n B 2 27 THR 27 6 6 THR THR X . n B 2 28 ALA 28 7 7 ALA ALA X . n B 2 29 THR 29 8 8 THR THR X . n B 2 30 SER 30 9 9 SER SER X . n B 2 31 PRO 31 10 10 PRO PRO X . n B 2 32 ILE 32 11 11 ILE ILE X . n B 2 33 SER 33 12 12 SER SER X . n B 2 34 ALA 34 13 13 ALA ALA X . n B 2 35 VAL 35 14 14 VAL VAL X . n B 2 36 THR 36 15 15 THR THR X . n B 2 37 CYS 37 16 16 CYS CYS X . n B 2 38 PRO 38 17 17 PRO PRO X . n B 2 39 PRO 39 18 18 PRO PRO X . n B 2 40 GLY 40 19 19 GLY GLY X . n B 2 41 GLU 41 20 20 GLU GLU X . n B 2 42 ASN 42 21 21 ASN ASN X . n B 2 43 LEU 43 22 22 LEU LEU X . n B 2 44 CYS 44 23 23 CYS CYS X . n B 2 45 TYR 45 24 24 TYR TYR X . n B 2 46 ARG 46 25 25 ARG ARG X . n B 2 47 LYS 47 26 26 LYS LYS X . n B 2 48 MET 48 27 27 MET MET X . n B 2 49 TRP 49 28 28 TRP TRP X . n B 2 50 CYS 50 29 29 CYS CYS X . n B 2 51 ASP 51 30 30 ASP ASP X . n B 2 52 ALA 52 31 31 ALA ALA X . n B 2 53 PHE 53 32 32 PHE PHE X . n B 2 54 CYS 54 33 33 CYS CYS X . n B 2 55 SER 55 34 34 SER SER X . n B 2 56 SER 56 35 35 SER SER X . n B 2 57 ARG 57 36 36 ARG ARG X . n B 2 58 GLY 58 37 37 GLY GLY X . n B 2 59 LYS 59 38 38 LYS LYS X . n B 2 60 VAL 60 39 39 VAL VAL X . n B 2 61 VAL 61 40 40 VAL VAL X . n B 2 62 GLU 62 41 41 GLU GLU X . n B 2 63 LEU 63 42 42 LEU LEU X . n B 2 64 GLY 64 43 43 GLY GLY X . n B 2 65 CYS 65 44 44 CYS CYS X . n B 2 66 ALA 66 45 45 ALA ALA X . n B 2 67 ALA 67 46 46 ALA ALA X . n B 2 68 THR 68 47 47 THR THR X . n B 2 69 CYS 69 48 48 CYS CYS X . n B 2 70 PRO 70 49 49 PRO PRO X . n B 2 71 SER 71 50 50 SER SER X . n B 2 72 LYS 72 51 51 LYS LYS X . n B 2 73 LYS 73 52 52 LYS LYS X . n B 2 74 PRO 74 53 53 PRO PRO X . n B 2 75 TYR 75 54 54 TYR TYR X . n B 2 76 GLU 76 55 55 GLU GLU X . n B 2 77 GLU 77 56 56 GLU GLU X . n B 2 78 VAL 78 57 57 VAL VAL X . n B 2 79 THR 79 58 58 THR THR X . n B 2 80 CYS 80 59 59 CYS CYS X . n B 2 81 CYS 81 60 60 CYS CYS X . n B 2 82 SER 82 61 61 SER SER X . n B 2 83 THR 83 62 62 THR THR X . n B 2 84 ASP 84 63 63 ASP ASP X . n B 2 85 LYS 85 64 64 LYS LYS X . n B 2 86 CYS 86 65 65 CYS CYS X . n B 2 87 ASN 87 66 66 ASN ASN X . n B 2 88 PRO 88 67 67 PRO PRO X . n B 2 89 HIS 89 68 68 HIS HIS X . n B 2 90 PRO 90 69 69 PRO PRO X . n B 2 91 LYS 91 70 70 LYS LYS X . n B 2 92 GLN 92 71 71 GLN GLN X . n B 2 93 ARG 93 72 72 ARG ARG X . n B 2 94 PRO 94 73 73 PRO PRO X . n B 2 95 GLY 95 74 ? ? ? X . n C 2 1 MET 1 -20 ? ? ? Z . n C 2 2 LYS 2 -19 ? ? ? Z . n C 2 3 THR 3 -18 ? ? ? Z . n C 2 4 LEU 4 -17 ? ? ? Z . n C 2 5 LEU 5 -16 ? ? ? Z . n C 2 6 LEU 6 -15 ? ? ? Z . n C 2 7 THR 7 -14 ? ? ? Z . n C 2 8 LEU 8 -13 ? ? ? Z . n C 2 9 VAL 9 -12 ? ? ? Z . n C 2 10 VAL 10 -11 ? ? ? Z . n C 2 11 VAL 11 -10 ? ? ? Z . n C 2 12 THR 12 -9 ? ? ? Z . n C 2 13 ILE 13 -8 ? ? ? Z . n C 2 14 VAL 14 -7 ? ? ? Z . n C 2 15 CYS 15 -6 ? ? ? Z . n C 2 16 LEU 16 -5 ? ? ? Z . n C 2 17 ASP 17 -4 ? ? ? Z . n C 2 18 LEU 18 -3 ? ? ? Z . n C 2 19 GLY 19 -2 ? ? ? Z . n C 2 20 TYR 20 -1 ? ? ? Z . n C 2 21 THR 21 0 ? ? ? Z . n C 2 22 ILE 22 1 1 ILE ILE Z . n C 2 23 VAL 23 2 2 VAL VAL Z . n C 2 24 CYS 24 3 3 CYS CYS Z . n C 2 25 HIS 25 4 4 HIS HIS Z . n C 2 26 THR 26 5 5 THR THR Z . n C 2 27 THR 27 6 6 THR THR Z . n C 2 28 ALA 28 7 7 ALA ALA Z . n C 2 29 THR 29 8 8 THR THR Z . n C 2 30 SER 30 9 9 SER SER Z . n C 2 31 PRO 31 10 10 PRO PRO Z . n C 2 32 ILE 32 11 11 ILE ILE Z . n C 2 33 SER 33 12 12 SER SER Z . n C 2 34 ALA 34 13 13 ALA ALA Z . n C 2 35 VAL 35 14 14 VAL VAL Z . n C 2 36 THR 36 15 15 THR THR Z . n C 2 37 CYS 37 16 16 CYS CYS Z . n C 2 38 PRO 38 17 17 PRO PRO Z . n C 2 39 PRO 39 18 18 PRO PRO Z . n C 2 40 GLY 40 19 19 GLY GLY Z . n C 2 41 GLU 41 20 20 GLU GLU Z . n C 2 42 ASN 42 21 21 ASN ASN Z . n C 2 43 LEU 43 22 22 LEU LEU Z . n C 2 44 CYS 44 23 23 CYS CYS Z . n C 2 45 TYR 45 24 24 TYR TYR Z . n C 2 46 ARG 46 25 25 ARG ARG Z . n C 2 47 LYS 47 26 26 LYS LYS Z . n C 2 48 MET 48 27 27 MET MET Z . n C 2 49 TRP 49 28 28 TRP TRP Z . n C 2 50 CYS 50 29 29 CYS CYS Z . n C 2 51 ASP 51 30 30 ASP ASP Z . n C 2 52 ALA 52 31 31 ALA ALA Z . n C 2 53 PHE 53 32 32 PHE PHE Z . n C 2 54 CYS 54 33 33 CYS CYS Z . n C 2 55 SER 55 34 34 SER SER Z . n C 2 56 SER 56 35 35 SER SER Z . n C 2 57 ARG 57 36 36 ARG ARG Z . n C 2 58 GLY 58 37 37 GLY GLY Z . n C 2 59 LYS 59 38 38 LYS LYS Z . n C 2 60 VAL 60 39 39 VAL VAL Z . n C 2 61 VAL 61 40 40 VAL VAL Z . n C 2 62 GLU 62 41 41 GLU GLU Z . n C 2 63 LEU 63 42 42 LEU LEU Z . n C 2 64 GLY 64 43 43 GLY GLY Z . n C 2 65 CYS 65 44 44 CYS CYS Z . n C 2 66 ALA 66 45 45 ALA ALA Z . n C 2 67 ALA 67 46 46 ALA ALA Z . n C 2 68 THR 68 47 47 THR THR Z . n C 2 69 CYS 69 48 48 CYS CYS Z . n C 2 70 PRO 70 49 49 PRO PRO Z . n C 2 71 SER 71 50 50 SER SER Z . n C 2 72 LYS 72 51 51 LYS LYS Z . n C 2 73 LYS 73 52 52 LYS LYS Z . n C 2 74 PRO 74 53 53 PRO PRO Z . n C 2 75 TYR 75 54 54 TYR TYR Z . n C 2 76 GLU 76 55 55 GLU GLU Z . n C 2 77 GLU 77 56 56 GLU GLU Z . n C 2 78 VAL 78 57 57 VAL VAL Z . n C 2 79 THR 79 58 58 THR THR Z . n C 2 80 CYS 80 59 59 CYS CYS Z . n C 2 81 CYS 81 60 60 CYS CYS Z . n C 2 82 SER 82 61 61 SER SER Z . n C 2 83 THR 83 62 62 THR THR Z . n C 2 84 ASP 84 63 63 ASP ASP Z . n C 2 85 LYS 85 64 64 LYS LYS Z . n C 2 86 CYS 86 65 65 CYS CYS Z . n C 2 87 ASN 87 66 66 ASN ASN Z . n C 2 88 PRO 88 67 67 PRO PRO Z . n C 2 89 HIS 89 68 68 HIS HIS Z . n C 2 90 PRO 90 69 69 PRO PRO Z . n C 2 91 LYS 91 70 70 LYS LYS Z . n C 2 92 GLN 92 71 71 GLN GLN Z . n C 2 93 ARG 93 72 72 ARG ARG Z . n C 2 94 PRO 94 73 73 PRO PRO Z . n C 2 95 GLY 95 74 74 GLY GLY Z . n D 3 1 ALA 1 0 ? ? ? I . n D 3 2 GLN 2 1 1 GLN GLN I . n D 3 3 VAL 3 2 2 VAL VAL I . n D 3 4 GLN 4 3 3 GLN GLN I . n D 3 5 LEU 5 4 4 LEU LEU I . n D 3 6 VAL 6 5 5 VAL VAL I . n D 3 7 GLN 7 6 6 GLN GLN I . n D 3 8 SER 8 7 7 SER SER I . n D 3 9 GLY 9 8 8 GLY GLY I . n D 3 10 ALA 10 9 9 ALA ALA I . n D 3 11 GLU 11 10 10 GLU GLU I . n D 3 12 VAL 12 11 11 VAL VAL I . n D 3 13 LYS 13 12 12 LYS LYS I . n D 3 14 LYS 14 13 13 LYS LYS I . n D 3 15 PRO 15 14 14 PRO PRO I . n D 3 16 GLY 16 15 15 GLY GLY I . n D 3 17 SER 17 16 16 SER SER I . n D 3 18 SER 18 17 17 SER SER I . n D 3 19 VAL 19 18 18 VAL VAL I . n D 3 20 LYS 20 19 19 LYS LYS I . n D 3 21 VAL 21 20 20 VAL VAL I . n D 3 22 SER 22 21 21 SER SER I . n D 3 23 CYS 23 22 22 CYS CYS I . n D 3 24 LYS 24 23 23 LYS LYS I . n D 3 25 ALA 25 24 24 ALA ALA I . n D 3 26 SER 26 25 25 SER SER I . n D 3 27 GLY 27 26 26 GLY GLY I . n D 3 28 GLY 28 27 27 GLY GLY I . n D 3 29 THR 29 28 28 THR THR I . n D 3 30 PHE 30 29 29 PHE PHE I . n D 3 31 SER 31 30 30 SER SER I . n D 3 32 SER 32 31 31 SER SER I . n D 3 33 TYR 33 32 32 TYR TYR I . n D 3 34 ALA 34 33 33 ALA ALA I . n D 3 35 ILE 35 34 34 ILE ILE I . n D 3 36 SER 36 35 35 SER SER I . n D 3 37 TRP 37 36 36 TRP TRP I . n D 3 38 VAL 38 37 37 VAL VAL I . n D 3 39 ARG 39 38 38 ARG ARG I . n D 3 40 GLN 40 39 39 GLN GLN I . n D 3 41 ALA 41 40 40 ALA ALA I . n D 3 42 PRO 42 41 41 PRO PRO I . n D 3 43 GLY 43 42 42 GLY GLY I . n D 3 44 GLN 44 43 43 GLN GLN I . n D 3 45 GLY 45 44 44 GLY GLY I . n D 3 46 LEU 46 45 45 LEU LEU I . n D 3 47 GLU 47 46 46 GLU GLU I . n D 3 48 TRP 48 47 47 TRP TRP I . n D 3 49 MET 49 48 48 MET MET I . n D 3 50 GLY 50 49 49 GLY GLY I . n D 3 51 GLY 51 50 50 GLY GLY I . n D 3 52 ILE 52 51 51 ILE ILE I . n D 3 53 ILE 53 52 52 ILE ILE I . n D 3 54 PRO 54 53 53 PRO PRO I . n D 3 55 ILE 55 54 54 ILE ILE I . n D 3 56 PHE 56 55 55 PHE PHE I . n D 3 57 GLY 57 56 56 GLY GLY I . n D 3 58 THR 58 57 57 THR THR I . n D 3 59 ALA 59 58 58 ALA ALA I . n D 3 60 ASN 60 59 59 ASN ASN I . n D 3 61 TYR 61 60 60 TYR TYR I . n D 3 62 ALA 62 61 61 ALA ALA I . n D 3 63 GLN 63 62 62 GLN GLN I . n D 3 64 LYS 64 63 63 LYS LYS I . n D 3 65 PHE 65 64 64 PHE PHE I . n D 3 66 GLN 66 65 65 GLN GLN I . n D 3 67 GLY 67 66 66 GLY GLY I . n D 3 68 ARG 68 67 67 ARG ARG I . n D 3 69 VAL 69 68 68 VAL VAL I . n D 3 70 THR 70 69 69 THR THR I . n D 3 71 ILE 71 70 70 ILE ILE I . n D 3 72 THR 72 71 71 THR THR I . n D 3 73 ALA 73 72 72 ALA ALA I . n D 3 74 ASP 74 73 73 ASP ASP I . n D 3 75 GLU 75 74 74 GLU GLU I . n D 3 76 SER 76 75 75 SER SER I . n D 3 77 THR 77 76 76 THR THR I . n D 3 78 SER 78 77 77 SER SER I . n D 3 79 THR 79 78 78 THR THR I . n D 3 80 ALA 80 79 79 ALA ALA I . n D 3 81 TYR 81 80 80 TYR TYR I . n D 3 82 MET 82 81 81 MET MET I . n D 3 83 GLU 83 82 82 GLU GLU I . n D 3 84 LEU 84 83 83 LEU LEU I . n D 3 85 ARG 85 84 84 ARG ARG I . n D 3 86 SER 86 85 85 SER SER I . n D 3 87 LEU 87 86 86 LEU LEU I . n D 3 88 ARG 88 87 87 ARG ARG I . n D 3 89 SER 89 88 88 SER SER I . n D 3 90 ASP 90 89 89 ASP ASP I . n D 3 91 ASP 91 90 90 ASP ASP I . n D 3 92 THR 92 91 91 THR THR I . n D 3 93 ALA 93 92 92 ALA ALA I . n D 3 94 VAL 94 93 93 VAL VAL I . n D 3 95 TYR 95 94 94 TYR TYR I . n D 3 96 TYR 96 95 95 TYR TYR I . n D 3 97 CYS 97 96 96 CYS CYS I . n D 3 98 ALA 98 97 97 ALA ALA I . n D 3 99 ARG 99 98 98 ARG ARG I . n D 3 100 ASP 100 99 99 ASP ASP I . n D 3 101 ASN 101 100 100 ASN ASN I . n D 3 102 LEU 102 101 101 LEU LEU I . n D 3 103 GLY 103 102 102 GLY GLY I . n D 3 104 TYR 104 103 103 TYR TYR I . n D 3 105 CYS 105 104 104 CYS CYS I . n D 3 106 SER 106 105 105 SER SER I . n D 3 107 GLY 107 106 106 GLY GLY I . n D 3 108 GLY 108 107 107 GLY GLY I . n D 3 109 SER 109 108 108 SER SER I . n D 3 110 CYS 110 109 109 CYS CYS I . n D 3 111 TYR 111 110 110 TYR TYR I . n D 3 112 SER 112 111 111 SER SER I . n D 3 113 ASP 113 112 112 ASP ASP I . n D 3 114 TYR 114 113 113 TYR TYR I . n D 3 115 TYR 115 114 114 TYR TYR I . n D 3 116 TYR 116 115 115 TYR TYR I . n D 3 117 TYR 117 116 116 TYR TYR I . n D 3 118 TYR 118 117 117 TYR TYR I . n D 3 119 MET 119 118 118 MET MET I . n D 3 120 ASP 120 119 119 ASP ASP I . n D 3 121 VAL 121 120 120 VAL VAL I . n D 3 122 TRP 122 121 121 TRP TRP I . n D 3 123 GLY 123 122 122 GLY GLY I . n D 3 124 GLN 124 123 123 GLN GLN I . n D 3 125 GLY 125 124 124 GLY GLY I . n D 3 126 THR 126 125 125 THR THR I . n D 3 127 LEU 127 126 126 LEU LEU I . n D 3 128 VAL 128 127 127 VAL VAL I . n D 3 129 THR 129 128 128 THR THR I . n D 3 130 VAL 130 129 129 VAL VAL I . n D 3 131 SER 131 130 130 SER SER I . n D 3 132 SER 132 131 131 SER SER I . n D 3 133 GLY 133 132 132 GLY GLY I . n D 3 134 GLY 134 133 133 GLY GLY I . n D 3 135 GLY 135 134 ? ? ? I . n D 3 136 GLY 136 135 ? ? ? I . n D 3 137 SER 137 136 ? ? ? I . n D 3 138 GLY 138 137 ? ? ? I . n D 3 139 GLY 139 138 ? ? ? I . n D 3 140 GLY 140 139 ? ? ? I . n D 3 141 GLY 141 140 ? ? ? I . n D 3 142 SER 142 141 ? ? ? I . n D 3 143 GLY 143 142 ? ? ? I . n D 3 144 GLY 144 143 ? ? ? I . n E 1 1 GLY 1 144 ? ? ? M . n E 1 2 ALA 2 145 145 ALA GLY M . n E 1 3 SER 3 146 146 SER SER M . n E 1 4 ASN 4 147 147 ASN ASN M . n E 1 5 PHE 5 148 148 PHE PHE M . n E 1 6 MET 6 149 149 MET MET M . n E 1 7 LEU 7 150 150 LEU LEU M . n E 1 8 THR 8 151 151 THR THR M . n E 1 9 GLN 9 152 152 GLN GLN M . n E 1 10 PRO 10 153 153 PRO PRO M . n E 1 11 ARG 11 154 154 ARG ARG M . n E 1 12 SER 12 155 155 SER SER M . n E 1 13 VAL 13 156 156 VAL VAL M . n E 1 14 SER 14 157 157 SER SER M . n E 1 15 GLU 15 158 158 GLU GLU M . n E 1 16 SER 16 159 159 SER SER M . n E 1 17 PRO 17 160 160 PRO PRO M . n E 1 18 GLY 18 161 161 GLY GLY M . n E 1 19 LYS 19 162 162 LYS LYS M . n E 1 20 THR 20 163 163 THR THR M . n E 1 21 VAL 21 164 164 VAL VAL M . n E 1 22 THR 22 165 165 THR THR M . n E 1 23 ILE 23 166 166 ILE ILE M . n E 1 24 SER 24 167 167 SER SER M . n E 1 25 CYS 25 168 168 CYS CYS M . n E 1 26 THR 26 169 169 THR THR M . n E 1 27 ARG 27 170 170 ARG ARG M . n E 1 28 SER 28 171 171 SER SER M . n E 1 29 SER 29 172 172 SER SER M . n E 1 30 GLY 30 173 173 GLY GLY M . n E 1 31 SER 31 174 174 SER SER M . n E 1 32 ILE 32 175 175 ILE ILE M . n E 1 33 GLY 33 176 176 GLY GLY M . n E 1 34 SER 34 177 177 SER SER M . n E 1 35 ASP 35 178 178 ASP ASP M . n E 1 36 TYR 36 179 179 TYR TYR M . n E 1 37 VAL 37 180 180 VAL VAL M . n E 1 38 HIS 38 181 181 HIS HIS M . n E 1 39 TRP 39 182 182 TRP TRP M . n E 1 40 TYR 40 183 183 TYR TYR M . n E 1 41 GLN 41 184 184 GLN GLN M . n E 1 42 GLN 42 185 185 GLN GLN M . n E 1 43 ARG 43 186 186 ARG ARG M . n E 1 44 PRO 44 187 187 PRO PRO M . n E 1 45 GLY 45 188 188 GLY GLY M . n E 1 46 SER 46 189 189 SER SER M . n E 1 47 SER 47 190 190 SER SER M . n E 1 48 PRO 48 191 191 PRO PRO M . n E 1 49 THR 49 192 192 THR THR M . n E 1 50 THR 50 193 193 THR THR M . n E 1 51 VAL 51 194 194 VAL VAL M . n E 1 52 ILE 52 195 195 ILE ILE M . n E 1 53 TYR 53 196 196 TYR TYR M . n E 1 54 GLU 54 197 197 GLU GLU M . n E 1 55 ASP 55 198 198 ASP ASP M . n E 1 56 ASN 56 199 199 ASN ASN M . n E 1 57 GLN 57 200 200 GLN GLN M . n E 1 58 ARG 58 201 201 ARG ARG M . n E 1 59 PRO 59 202 202 PRO PRO M . n E 1 60 SER 60 203 203 SER SER M . n E 1 61 GLY 61 204 204 GLY GLY M . n E 1 62 VAL 62 205 205 VAL VAL M . n E 1 63 PRO 63 206 206 PRO PRO M . n E 1 64 ASP 64 207 207 ASP ASP M . n E 1 65 ARG 65 208 208 ARG ARG M . n E 1 66 PHE 66 209 209 PHE PHE M . n E 1 67 SER 67 210 210 SER SER M . n E 1 68 GLY 68 211 211 GLY GLY M . n E 1 69 SER 69 212 212 SER SER M . n E 1 70 ILE 70 213 213 ILE ILE M . n E 1 71 ASP 71 214 214 ASP ASP M . n E 1 72 SER 72 215 215 SER SER M . n E 1 73 SER 73 216 216 SER SER M . n E 1 74 SER 74 217 217 SER SER M . n E 1 75 ASN 75 218 218 ASN ASN M . n E 1 76 SER 76 219 219 SER SER M . n E 1 77 ALA 77 220 220 ALA ALA M . n E 1 78 SER 78 221 221 SER SER M . n E 1 79 LEU 79 222 222 LEU LEU M . n E 1 80 THR 80 223 223 THR THR M . n E 1 81 ILE 81 224 224 ILE ILE M . n E 1 82 SER 82 225 225 SER SER M . n E 1 83 GLY 83 226 226 GLY GLY M . n E 1 84 LEU 84 227 227 LEU LEU M . n E 1 85 LYS 85 228 228 LYS LYS M . n E 1 86 THR 86 229 229 THR THR M . n E 1 87 GLU 87 230 230 GLU GLU M . n E 1 88 ASP 88 231 231 ASP ASP M . n E 1 89 GLU 89 232 232 GLU GLU M . n E 1 90 ALA 90 233 233 ALA ALA M . n E 1 91 ASP 91 234 234 ASP ASP M . n E 1 92 TYR 92 235 235 TYR TYR M . n E 1 93 TYR 93 236 236 TYR TYR M . n E 1 94 CYS 94 237 237 CYS CYS M . n E 1 95 GLN 95 238 238 GLN GLN M . n E 1 96 SER 96 239 239 SER SER M . n E 1 97 TYR 97 240 240 TYR TYR M . n E 1 98 ASP 98 241 241 ASP ASP M . n E 1 99 ARG 99 242 242 ARG ARG M . n E 1 100 SER 100 243 243 SER SER M . n E 1 101 ASN 101 244 244 ASN ASN M . n E 1 102 HIS 102 245 245 HIS HIS M . n E 1 103 GLU 103 246 246 GLU GLU M . n E 1 104 VAL 104 247 247 VAL VAL M . n E 1 105 VAL 105 248 248 VAL VAL M . n E 1 106 PHE 106 249 249 PHE PHE M . n E 1 107 GLY 107 250 250 GLY GLY M . n E 1 108 GLY 108 251 251 GLY GLY M . n E 1 109 GLY 109 252 252 GLY GLY M . n E 1 110 THR 110 253 253 THR THR M . n E 1 111 LYS 111 254 254 LYS LYS M . n E 1 112 LEU 112 255 255 LEU LEU M . n E 1 113 THR 113 256 256 THR THR M . n E 1 114 VAL 114 257 257 VAL VAL M . n E 1 115 LEU 115 258 258 LEU LEU M . n E 1 116 GLU 116 259 259 GLU GLU M . n E 1 117 ASN 117 260 260 ASN ASN M . n E 1 118 LEU 118 261 261 LEU LEU M . n E 1 119 TYR 119 262 262 TYR TYR M . n E 1 120 PHE 120 263 263 PHE PHE M . n E 1 121 GLN 121 264 264 GLN GLN M . n F 3 1 ALA 1 0 ? ? ? B . n F 3 2 GLN 2 1 1 GLN GLN B . n F 3 3 VAL 3 2 2 VAL VAL B . n F 3 4 GLN 4 3 3 GLN GLN B . n F 3 5 LEU 5 4 4 LEU LEU B . n F 3 6 VAL 6 5 5 VAL VAL B . n F 3 7 GLN 7 6 6 GLN GLN B . n F 3 8 SER 8 7 7 SER SER B . n F 3 9 GLY 9 8 8 GLY GLY B . n F 3 10 ALA 10 9 9 ALA ALA B . n F 3 11 GLU 11 10 10 GLU GLU B . n F 3 12 VAL 12 11 11 VAL VAL B . n F 3 13 LYS 13 12 12 LYS LYS B . n F 3 14 LYS 14 13 13 LYS LYS B . n F 3 15 PRO 15 14 14 PRO PRO B . n F 3 16 GLY 16 15 15 GLY GLY B . n F 3 17 SER 17 16 16 SER SER B . n F 3 18 SER 18 17 17 SER SER B . n F 3 19 VAL 19 18 18 VAL VAL B . n F 3 20 LYS 20 19 19 LYS LYS B . n F 3 21 VAL 21 20 20 VAL VAL B . n F 3 22 SER 22 21 21 SER SER B . n F 3 23 CYS 23 22 22 CYS CYS B . n F 3 24 LYS 24 23 23 LYS LYS B . n F 3 25 ALA 25 24 24 ALA ALA B . n F 3 26 SER 26 25 25 SER SER B . n F 3 27 GLY 27 26 26 GLY GLY B . n F 3 28 GLY 28 27 27 GLY GLY B . n F 3 29 THR 29 28 28 THR THR B . n F 3 30 PHE 30 29 29 PHE PHE B . n F 3 31 SER 31 30 30 SER SER B . n F 3 32 SER 32 31 31 SER SER B . n F 3 33 TYR 33 32 32 TYR TYR B . n F 3 34 ALA 34 33 33 ALA ALA B . n F 3 35 ILE 35 34 34 ILE ILE B . n F 3 36 SER 36 35 35 SER SER B . n F 3 37 TRP 37 36 36 TRP TRP B . n F 3 38 VAL 38 37 37 VAL VAL B . n F 3 39 ARG 39 38 38 ARG ARG B . n F 3 40 GLN 40 39 39 GLN GLN B . n F 3 41 ALA 41 40 40 ALA ALA B . n F 3 42 PRO 42 41 41 PRO PRO B . n F 3 43 GLY 43 42 42 GLY GLY B . n F 3 44 GLN 44 43 43 GLN GLN B . n F 3 45 GLY 45 44 44 GLY GLY B . n F 3 46 LEU 46 45 45 LEU LEU B . n F 3 47 GLU 47 46 46 GLU GLU B . n F 3 48 TRP 48 47 47 TRP TRP B . n F 3 49 MET 49 48 48 MET MET B . n F 3 50 GLY 50 49 49 GLY GLY B . n F 3 51 GLY 51 50 50 GLY GLY B . n F 3 52 ILE 52 51 51 ILE ILE B . n F 3 53 ILE 53 52 52 ILE ILE B . n F 3 54 PRO 54 53 53 PRO PRO B . n F 3 55 ILE 55 54 54 ILE ILE B . n F 3 56 PHE 56 55 55 PHE PHE B . n F 3 57 GLY 57 56 56 GLY GLY B . n F 3 58 THR 58 57 57 THR THR B . n F 3 59 ALA 59 58 58 ALA ALA B . n F 3 60 ASN 60 59 59 ASN ASN B . n F 3 61 TYR 61 60 60 TYR TYR B . n F 3 62 ALA 62 61 61 ALA ALA B . n F 3 63 GLN 63 62 62 GLN GLN B . n F 3 64 LYS 64 63 63 LYS LYS B . n F 3 65 PHE 65 64 64 PHE PHE B . n F 3 66 GLN 66 65 65 GLN GLN B . n F 3 67 GLY 67 66 66 GLY GLY B . n F 3 68 ARG 68 67 67 ARG ARG B . n F 3 69 VAL 69 68 68 VAL VAL B . n F 3 70 THR 70 69 69 THR THR B . n F 3 71 ILE 71 70 70 ILE ILE B . n F 3 72 THR 72 71 71 THR THR B . n F 3 73 ALA 73 72 72 ALA ALA B . n F 3 74 ASP 74 73 73 ASP ASP B . n F 3 75 GLU 75 74 74 GLU GLU B . n F 3 76 SER 76 75 75 SER SER B . n F 3 77 THR 77 76 76 THR THR B . n F 3 78 SER 78 77 77 SER SER B . n F 3 79 THR 79 78 78 THR THR B . n F 3 80 ALA 80 79 79 ALA ALA B . n F 3 81 TYR 81 80 80 TYR TYR B . n F 3 82 MET 82 81 81 MET MET B . n F 3 83 GLU 83 82 82 GLU GLU B . n F 3 84 LEU 84 83 83 LEU LEU B . n F 3 85 ARG 85 84 84 ARG ARG B . n F 3 86 SER 86 85 85 SER SER B . n F 3 87 LEU 87 86 86 LEU LEU B . n F 3 88 ARG 88 87 87 ARG ARG B . n F 3 89 SER 89 88 88 SER SER B . n F 3 90 ASP 90 89 89 ASP ASP B . n F 3 91 ASP 91 90 90 ASP ASP B . n F 3 92 THR 92 91 91 THR THR B . n F 3 93 ALA 93 92 92 ALA ALA B . n F 3 94 VAL 94 93 93 VAL VAL B . n F 3 95 TYR 95 94 94 TYR TYR B . n F 3 96 TYR 96 95 95 TYR TYR B . n F 3 97 CYS 97 96 96 CYS CYS B . n F 3 98 ALA 98 97 97 ALA ALA B . n F 3 99 ARG 99 98 98 ARG ARG B . n F 3 100 ASP 100 99 99 ASP ASP B . n F 3 101 ASN 101 100 100 ASN ASN B . n F 3 102 LEU 102 101 101 LEU LEU B . n F 3 103 GLY 103 102 102 GLY GLY B . n F 3 104 TYR 104 103 103 TYR TYR B . n F 3 105 CYS 105 104 104 CYS CYS B . n F 3 106 SER 106 105 105 SER SER B . n F 3 107 GLY 107 106 106 GLY GLY B . n F 3 108 GLY 108 107 107 GLY GLY B . n F 3 109 SER 109 108 108 SER SER B . n F 3 110 CYS 110 109 109 CYS CYS B . n F 3 111 TYR 111 110 110 TYR TYR B . n F 3 112 SER 112 111 111 SER SER B . n F 3 113 ASP 113 112 112 ASP ASP B . n F 3 114 TYR 114 113 113 TYR TYR B . n F 3 115 TYR 115 114 114 TYR TYR B . n F 3 116 TYR 116 115 115 TYR TYR B . n F 3 117 TYR 117 116 116 TYR TYR B . n F 3 118 TYR 118 117 117 TYR TYR B . n F 3 119 MET 119 118 118 MET MET B . n F 3 120 ASP 120 119 119 ASP ASP B . n F 3 121 VAL 121 120 120 VAL VAL B . n F 3 122 TRP 122 121 121 TRP TRP B . n F 3 123 GLY 123 122 122 GLY GLY B . n F 3 124 GLN 124 123 123 GLN GLN B . n F 3 125 GLY 125 124 124 GLY GLY B . n F 3 126 THR 126 125 125 THR THR B . n F 3 127 LEU 127 126 126 LEU LEU B . n F 3 128 VAL 128 127 127 VAL VAL B . n F 3 129 THR 129 128 128 THR THR B . n F 3 130 VAL 130 129 129 VAL VAL B . n F 3 131 SER 131 130 130 SER SER B . n F 3 132 SER 132 131 131 SER SER B . n F 3 133 GLY 133 132 132 GLY GLY B . n F 3 134 GLY 134 133 133 GLY GLY B . n F 3 135 GLY 135 134 ? ? ? B . n F 3 136 GLY 136 135 ? ? ? B . n F 3 137 SER 137 136 ? ? ? B . n F 3 138 GLY 138 137 ? ? ? B . n F 3 139 GLY 139 138 ? ? ? B . n F 3 140 GLY 140 139 ? ? ? B . n F 3 141 GLY 141 140 ? ? ? B . n F 3 142 SER 142 141 ? ? ? B . n F 3 143 GLY 143 142 ? ? ? B . n F 3 144 GLY 144 143 ? ? ? B . 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 G 4 EDO 1 301 302 EDO EDO C . H 4 EDO 1 101 101 EDO EDO X . I 4 EDO 1 102 102 EDO EDO X . J 4 EDO 1 301 301 EDO EDO M . K 4 EDO 1 302 302 EDO EDO M . L 4 EDO 1 201 201 EDO EDO B . M 4 EDO 1 202 202 EDO EDO B . N 5 HOH 1 401 971 HOH HOH C . N 5 HOH 2 402 562 HOH HOH C . N 5 HOH 3 403 357 HOH HOH C . N 5 HOH 4 404 330 HOH HOH C . N 5 HOH 5 405 617 HOH HOH C . N 5 HOH 6 406 603 HOH HOH C . N 5 HOH 7 407 835 HOH HOH C . N 5 HOH 8 408 37 HOH HOH C . N 5 HOH 9 409 747 HOH HOH C . N 5 HOH 10 410 416 HOH HOH C . N 5 HOH 11 411 593 HOH HOH C . N 5 HOH 12 412 548 HOH HOH C . N 5 HOH 13 413 447 HOH HOH C . N 5 HOH 14 414 834 HOH HOH C . N 5 HOH 15 415 1076 HOH HOH C . N 5 HOH 16 416 1071 HOH HOH C . N 5 HOH 17 417 126 HOH HOH C . N 5 HOH 18 418 284 HOH HOH C . N 5 HOH 19 419 210 HOH HOH C . N 5 HOH 20 420 638 HOH HOH C . N 5 HOH 21 421 450 HOH HOH C . N 5 HOH 22 422 523 HOH HOH C . N 5 HOH 23 423 360 HOH HOH C . N 5 HOH 24 424 552 HOH HOH C . N 5 HOH 25 425 454 HOH HOH C . N 5 HOH 26 426 351 HOH HOH C . N 5 HOH 27 427 17 HOH HOH C . N 5 HOH 28 428 567 HOH HOH C . N 5 HOH 29 429 65 HOH HOH C . N 5 HOH 30 430 215 HOH HOH C . N 5 HOH 31 431 80 HOH HOH C . N 5 HOH 32 432 966 HOH HOH C . N 5 HOH 33 433 631 HOH HOH C . N 5 HOH 34 434 518 HOH HOH C . N 5 HOH 35 435 456 HOH HOH C . N 5 HOH 36 436 149 HOH HOH C . N 5 HOH 37 437 51 HOH HOH C . N 5 HOH 38 438 198 HOH HOH C . N 5 HOH 39 439 612 HOH HOH C . N 5 HOH 40 440 519 HOH HOH C . N 5 HOH 41 441 423 HOH HOH C . N 5 HOH 42 442 543 HOH HOH C . N 5 HOH 43 443 683 HOH HOH C . N 5 HOH 44 444 185 HOH HOH C . N 5 HOH 45 445 987 HOH HOH C . N 5 HOH 46 446 488 HOH HOH C . N 5 HOH 47 447 546 HOH HOH C . N 5 HOH 48 448 202 HOH HOH C . N 5 HOH 49 449 262 HOH HOH C . N 5 HOH 50 450 442 HOH HOH C . N 5 HOH 51 451 444 HOH HOH C . N 5 HOH 52 452 522 HOH HOH C . N 5 HOH 53 453 429 HOH HOH C . N 5 HOH 54 454 815 HOH HOH C . N 5 HOH 55 455 131 HOH HOH C . N 5 HOH 56 456 691 HOH HOH C . N 5 HOH 57 457 666 HOH HOH C . N 5 HOH 58 458 162 HOH HOH C . N 5 HOH 59 459 526 HOH HOH C . N 5 HOH 60 460 107 HOH HOH C . N 5 HOH 61 461 1073 HOH HOH C . N 5 HOH 62 462 411 HOH HOH C . N 5 HOH 63 463 127 HOH HOH C . N 5 HOH 64 464 236 HOH HOH C . N 5 HOH 65 465 779 HOH HOH C . N 5 HOH 66 466 1055 HOH HOH C . N 5 HOH 67 467 1096 HOH HOH C . N 5 HOH 68 468 592 HOH HOH C . N 5 HOH 69 469 622 HOH HOH C . N 5 HOH 70 470 716 HOH HOH C . N 5 HOH 71 471 190 HOH HOH C . N 5 HOH 72 472 530 HOH HOH C . N 5 HOH 73 473 439 HOH HOH C . N 5 HOH 74 474 680 HOH HOH C . N 5 HOH 75 475 956 HOH HOH C . N 5 HOH 76 476 754 HOH HOH C . N 5 HOH 77 477 1020 HOH HOH C . N 5 HOH 78 478 1047 HOH HOH C . N 5 HOH 79 479 541 HOH HOH C . N 5 HOH 80 480 753 HOH HOH C . N 5 HOH 81 481 621 HOH HOH C . N 5 HOH 82 482 695 HOH HOH C . N 5 HOH 83 483 259 HOH HOH C . N 5 HOH 84 484 188 HOH HOH C . N 5 HOH 85 485 175 HOH HOH C . N 5 HOH 86 486 43 HOH HOH C . N 5 HOH 87 487 377 HOH HOH C . N 5 HOH 88 488 489 HOH HOH C . N 5 HOH 89 489 13 HOH HOH C . N 5 HOH 90 490 325 HOH HOH C . N 5 HOH 91 491 514 HOH HOH C . N 5 HOH 92 492 453 HOH HOH C . N 5 HOH 93 493 1079 HOH HOH C . N 5 HOH 94 494 564 HOH HOH C . N 5 HOH 95 495 288 HOH HOH C . N 5 HOH 96 496 992 HOH HOH C . N 5 HOH 97 497 1026 HOH HOH C . N 5 HOH 98 498 339 HOH HOH C . N 5 HOH 99 499 1066 HOH HOH C . N 5 HOH 100 500 883 HOH HOH C . N 5 HOH 101 501 1021 HOH HOH C . N 5 HOH 102 502 521 HOH HOH C . N 5 HOH 103 503 726 HOH HOH C . N 5 HOH 104 504 570 HOH HOH C . N 5 HOH 105 505 397 HOH HOH C . N 5 HOH 106 506 818 HOH HOH C . N 5 HOH 107 507 961 HOH HOH C . N 5 HOH 108 508 967 HOH HOH C . N 5 HOH 109 509 492 HOH HOH C . N 5 HOH 110 510 466 HOH HOH C . N 5 HOH 111 511 698 HOH HOH C . N 5 HOH 112 512 497 HOH HOH C . N 5 HOH 113 513 828 HOH HOH C . N 5 HOH 114 514 264 HOH HOH C . N 5 HOH 115 515 169 HOH HOH C . N 5 HOH 116 516 1085 HOH HOH C . N 5 HOH 117 517 1009 HOH HOH C . N 5 HOH 118 518 652 HOH HOH C . N 5 HOH 119 519 1119 HOH HOH C . N 5 HOH 120 520 896 HOH HOH C . N 5 HOH 121 521 801 HOH HOH C . N 5 HOH 122 522 892 HOH HOH C . N 5 HOH 123 523 731 HOH HOH C . N 5 HOH 124 524 1121 HOH HOH C . N 5 HOH 125 525 670 HOH HOH C . N 5 HOH 126 526 891 HOH HOH C . N 5 HOH 127 527 1101 HOH HOH C . N 5 HOH 128 528 1098 HOH HOH C . N 5 HOH 129 529 629 HOH HOH C . N 5 HOH 130 530 690 HOH HOH C . N 5 HOH 131 531 702 HOH HOH C . N 5 HOH 132 532 911 HOH HOH C . N 5 HOH 133 533 601 HOH HOH C . N 5 HOH 134 534 1111 HOH HOH C . N 5 HOH 135 535 1067 HOH HOH C . N 5 HOH 136 536 1102 HOH HOH C . N 5 HOH 137 537 736 HOH HOH C . N 5 HOH 138 538 534 HOH HOH C . N 5 HOH 139 539 774 HOH HOH C . N 5 HOH 140 540 933 HOH HOH C . N 5 HOH 141 541 317 HOH HOH C . N 5 HOH 142 542 511 HOH HOH C . N 5 HOH 143 543 844 HOH HOH C . N 5 HOH 144 544 688 HOH HOH C . N 5 HOH 145 545 700 HOH HOH C . N 5 HOH 146 546 693 HOH HOH C . N 5 HOH 147 547 745 HOH HOH C . N 5 HOH 148 548 718 HOH HOH C . N 5 HOH 149 549 653 HOH HOH C . N 5 HOH 150 550 941 HOH HOH C . N 5 HOH 151 551 685 HOH HOH C . N 5 HOH 152 552 610 HOH HOH C . N 5 HOH 153 553 257 HOH HOH C . N 5 HOH 154 554 771 HOH HOH C . N 5 HOH 155 555 665 HOH HOH C . N 5 HOH 156 556 802 HOH HOH C . N 5 HOH 157 557 719 HOH HOH C . O 5 HOH 1 201 221 HOH HOH X . O 5 HOH 2 202 96 HOH HOH X . O 5 HOH 3 203 1061 HOH HOH X . O 5 HOH 4 204 1035 HOH HOH X . O 5 HOH 5 205 154 HOH HOH X . O 5 HOH 6 206 1095 HOH HOH X . O 5 HOH 7 207 765 HOH HOH X . O 5 HOH 8 208 184 HOH HOH X . O 5 HOH 9 209 118 HOH HOH X . O 5 HOH 10 210 580 HOH HOH X . O 5 HOH 11 211 420 HOH HOH X . O 5 HOH 12 212 156 HOH HOH X . O 5 HOH 13 213 1016 HOH HOH X . O 5 HOH 14 214 1024 HOH HOH X . O 5 HOH 15 215 467 HOH HOH X . O 5 HOH 16 216 962 HOH HOH X . O 5 HOH 17 217 730 HOH HOH X . O 5 HOH 18 218 293 HOH HOH X . O 5 HOH 19 219 187 HOH HOH X . O 5 HOH 20 220 383 HOH HOH X . O 5 HOH 21 221 994 HOH HOH X . O 5 HOH 22 222 46 HOH HOH X . O 5 HOH 23 223 177 HOH HOH X . O 5 HOH 24 224 1058 HOH HOH X . O 5 HOH 25 225 5 HOH HOH X . O 5 HOH 26 226 1030 HOH HOH X . O 5 HOH 27 227 117 HOH HOH X . O 5 HOH 28 228 78 HOH HOH X . O 5 HOH 29 229 831 HOH HOH X . O 5 HOH 30 230 355 HOH HOH X . O 5 HOH 31 231 725 HOH HOH X . O 5 HOH 32 232 921 HOH HOH X . O 5 HOH 33 233 980 HOH HOH X . O 5 HOH 34 234 232 HOH HOH X . O 5 HOH 35 235 235 HOH HOH X . O 5 HOH 36 236 79 HOH HOH X . O 5 HOH 37 237 517 HOH HOH X . O 5 HOH 38 238 95 HOH HOH X . O 5 HOH 39 239 322 HOH HOH X . O 5 HOH 40 240 1065 HOH HOH X . O 5 HOH 41 241 887 HOH HOH X . O 5 HOH 42 242 35 HOH HOH X . O 5 HOH 43 243 348 HOH HOH X . O 5 HOH 44 244 1041 HOH HOH X . O 5 HOH 45 245 393 HOH HOH X . O 5 HOH 46 246 229 HOH HOH X . O 5 HOH 47 247 981 HOH HOH X . O 5 HOH 48 248 125 HOH HOH X . O 5 HOH 49 249 1018 HOH HOH X . O 5 HOH 50 250 123 HOH HOH X . O 5 HOH 51 251 1003 HOH HOH X . O 5 HOH 52 252 370 HOH HOH X . O 5 HOH 53 253 52 HOH HOH X . O 5 HOH 54 254 1011 HOH HOH X . O 5 HOH 55 255 243 HOH HOH X . O 5 HOH 56 256 1007 HOH HOH X . O 5 HOH 57 257 922 HOH HOH X . O 5 HOH 58 258 843 HOH HOH X . O 5 HOH 59 259 20 HOH HOH X . O 5 HOH 60 260 733 HOH HOH X . O 5 HOH 61 261 1050 HOH HOH X . O 5 HOH 62 262 183 HOH HOH X . O 5 HOH 63 263 136 HOH HOH X . O 5 HOH 64 264 239 HOH HOH X . O 5 HOH 65 265 287 HOH HOH X . O 5 HOH 66 266 986 HOH HOH X . O 5 HOH 67 267 209 HOH HOH X . O 5 HOH 68 268 161 HOH HOH X . O 5 HOH 69 269 833 HOH HOH X . O 5 HOH 70 270 1029 HOH HOH X . O 5 HOH 71 271 854 HOH HOH X . O 5 HOH 72 272 1022 HOH HOH X . O 5 HOH 73 273 667 HOH HOH X . O 5 HOH 74 274 501 HOH HOH X . O 5 HOH 75 275 964 HOH HOH X . O 5 HOH 76 276 108 HOH HOH X . O 5 HOH 77 277 493 HOH HOH X . O 5 HOH 78 278 487 HOH HOH X . O 5 HOH 79 279 309 HOH HOH X . O 5 HOH 80 280 596 HOH HOH X . O 5 HOH 81 281 66 HOH HOH X . O 5 HOH 82 282 650 HOH HOH X . O 5 HOH 83 283 900 HOH HOH X . O 5 HOH 84 284 720 HOH HOH X . O 5 HOH 85 285 761 HOH HOH X . O 5 HOH 86 286 550 HOH HOH X . O 5 HOH 87 287 303 HOH HOH X . O 5 HOH 88 288 839 HOH HOH X . O 5 HOH 89 289 1081 HOH HOH X . O 5 HOH 90 290 1116 HOH HOH X . O 5 HOH 91 291 822 HOH HOH X . O 5 HOH 92 292 539 HOH HOH X . O 5 HOH 93 293 578 HOH HOH X . O 5 HOH 94 294 870 HOH HOH X . O 5 HOH 95 295 767 HOH HOH X . O 5 HOH 96 296 577 HOH HOH X . O 5 HOH 97 297 222 HOH HOH X . O 5 HOH 98 298 1125 HOH HOH X . O 5 HOH 99 299 396 HOH HOH X . O 5 HOH 100 300 405 HOH HOH X . O 5 HOH 101 301 787 HOH HOH X . O 5 HOH 102 302 88 HOH HOH X . O 5 HOH 103 303 624 HOH HOH X . O 5 HOH 104 304 880 HOH HOH X . P 5 HOH 1 101 684 HOH HOH Z . P 5 HOH 2 102 1080 HOH HOH Z . P 5 HOH 3 103 186 HOH HOH Z . P 5 HOH 4 104 204 HOH HOH Z . P 5 HOH 5 105 837 HOH HOH Z . P 5 HOH 6 106 310 HOH HOH Z . P 5 HOH 7 107 308 HOH HOH Z . P 5 HOH 8 108 1005 HOH HOH Z . P 5 HOH 9 109 373 HOH HOH Z . P 5 HOH 10 110 57 HOH HOH Z . P 5 HOH 11 111 943 HOH HOH Z . P 5 HOH 12 112 391 HOH HOH Z . P 5 HOH 13 113 1001 HOH HOH Z . P 5 HOH 14 114 471 HOH HOH Z . P 5 HOH 15 115 197 HOH HOH Z . P 5 HOH 16 116 7 HOH HOH Z . P 5 HOH 17 117 978 HOH HOH Z . P 5 HOH 18 118 985 HOH HOH Z . P 5 HOH 19 119 111 HOH HOH Z . P 5 HOH 20 120 1017 HOH HOH Z . P 5 HOH 21 121 918 HOH HOH Z . P 5 HOH 22 122 392 HOH HOH Z . P 5 HOH 23 123 984 HOH HOH Z . P 5 HOH 24 124 341 HOH HOH Z . P 5 HOH 25 125 485 HOH HOH Z . P 5 HOH 26 126 297 HOH HOH Z . P 5 HOH 27 127 30 HOH HOH Z . P 5 HOH 28 128 495 HOH HOH Z . P 5 HOH 29 129 540 HOH HOH Z . P 5 HOH 30 130 314 HOH HOH Z . P 5 HOH 31 131 477 HOH HOH Z . P 5 HOH 32 132 12 HOH HOH Z . P 5 HOH 33 133 374 HOH HOH Z . P 5 HOH 34 134 27 HOH HOH Z . P 5 HOH 35 135 34 HOH HOH Z . P 5 HOH 36 136 945 HOH HOH Z . P 5 HOH 37 137 727 HOH HOH Z . P 5 HOH 38 138 817 HOH HOH Z . P 5 HOH 39 139 4 HOH HOH Z . P 5 HOH 40 140 181 HOH HOH Z . P 5 HOH 41 141 49 HOH HOH Z . P 5 HOH 42 142 977 HOH HOH Z . P 5 HOH 43 143 583 HOH HOH Z . P 5 HOH 44 144 619 HOH HOH Z . P 5 HOH 45 145 1013 HOH HOH Z . P 5 HOH 46 146 48 HOH HOH Z . P 5 HOH 47 147 1052 HOH HOH Z . P 5 HOH 48 148 234 HOH HOH Z . P 5 HOH 49 149 1038 HOH HOH Z . P 5 HOH 50 150 299 HOH HOH Z . P 5 HOH 51 151 418 HOH HOH Z . P 5 HOH 52 152 457 HOH HOH Z . P 5 HOH 53 153 982 HOH HOH Z . P 5 HOH 54 154 233 HOH HOH Z . P 5 HOH 55 155 1031 HOH HOH Z . P 5 HOH 56 156 1090 HOH HOH Z . P 5 HOH 57 157 432 HOH HOH Z . P 5 HOH 58 158 164 HOH HOH Z . P 5 HOH 59 159 599 HOH HOH Z . P 5 HOH 60 160 1084 HOH HOH Z . P 5 HOH 61 161 89 HOH HOH Z . P 5 HOH 62 162 808 HOH HOH Z . P 5 HOH 63 163 463 HOH HOH Z . P 5 HOH 64 164 579 HOH HOH Z . P 5 HOH 65 165 1097 HOH HOH Z . P 5 HOH 66 166 1091 HOH HOH Z . P 5 HOH 67 167 991 HOH HOH Z . P 5 HOH 68 168 939 HOH HOH Z . P 5 HOH 69 169 99 HOH HOH Z . P 5 HOH 70 170 1039 HOH HOH Z . P 5 HOH 71 171 969 HOH HOH Z . P 5 HOH 72 172 875 HOH HOH Z . P 5 HOH 73 173 763 HOH HOH Z . P 5 HOH 74 174 290 HOH HOH Z . P 5 HOH 75 175 949 HOH HOH Z . P 5 HOH 76 176 1044 HOH HOH Z . P 5 HOH 77 177 1099 HOH HOH Z . P 5 HOH 78 178 1012 HOH HOH Z . P 5 HOH 79 179 729 HOH HOH Z . P 5 HOH 80 180 258 HOH HOH Z . P 5 HOH 81 181 885 HOH HOH Z . P 5 HOH 82 182 385 HOH HOH Z . P 5 HOH 83 183 686 HOH HOH Z . P 5 HOH 84 184 1074 HOH HOH Z . P 5 HOH 85 185 554 HOH HOH Z . P 5 HOH 86 186 602 HOH HOH Z . P 5 HOH 87 187 403 HOH HOH Z . P 5 HOH 88 188 847 HOH HOH Z . P 5 HOH 89 189 766 HOH HOH Z . P 5 HOH 90 190 829 HOH HOH Z . P 5 HOH 91 191 1049 HOH HOH Z . P 5 HOH 92 192 410 HOH HOH Z . P 5 HOH 93 193 112 HOH HOH Z . P 5 HOH 94 194 637 HOH HOH Z . P 5 HOH 95 195 591 HOH HOH Z . P 5 HOH 96 196 402 HOH HOH Z . P 5 HOH 97 197 400 HOH HOH Z . P 5 HOH 98 198 460 HOH HOH Z . P 5 HOH 99 199 886 HOH HOH Z . P 5 HOH 100 200 533 HOH HOH Z . P 5 HOH 101 201 1027 HOH HOH Z . P 5 HOH 102 202 813 HOH HOH Z . P 5 HOH 103 203 893 HOH HOH Z . P 5 HOH 104 204 867 HOH HOH Z . P 5 HOH 105 205 706 HOH HOH Z . P 5 HOH 106 206 788 HOH HOH Z . P 5 HOH 107 207 687 HOH HOH Z . P 5 HOH 108 208 785 HOH HOH Z . Q 5 HOH 1 201 381 HOH HOH I . Q 5 HOH 2 202 1078 HOH HOH I . Q 5 HOH 3 203 582 HOH HOH I . Q 5 HOH 4 204 865 HOH HOH I . Q 5 HOH 5 205 572 HOH HOH I . Q 5 HOH 6 206 60 HOH HOH I . Q 5 HOH 7 207 446 HOH HOH I . Q 5 HOH 8 208 201 HOH HOH I . Q 5 HOH 9 209 208 HOH HOH I . Q 5 HOH 10 210 1093 HOH HOH I . Q 5 HOH 11 211 170 HOH HOH I . Q 5 HOH 12 212 1122 HOH HOH I . Q 5 HOH 13 213 928 HOH HOH I . Q 5 HOH 14 214 19 HOH HOH I . Q 5 HOH 15 215 160 HOH HOH I . Q 5 HOH 16 216 337 HOH HOH I . Q 5 HOH 17 217 660 HOH HOH I . Q 5 HOH 18 218 664 HOH HOH I . Q 5 HOH 19 219 152 HOH HOH I . Q 5 HOH 20 220 70 HOH HOH I . Q 5 HOH 21 221 851 HOH HOH I . Q 5 HOH 22 222 120 HOH HOH I . Q 5 HOH 23 223 254 HOH HOH I . Q 5 HOH 24 224 171 HOH HOH I . Q 5 HOH 25 225 176 HOH HOH I . Q 5 HOH 26 226 14 HOH HOH I . Q 5 HOH 27 227 551 HOH HOH I . Q 5 HOH 28 228 134 HOH HOH I . Q 5 HOH 29 229 132 HOH HOH I . Q 5 HOH 30 230 71 HOH HOH I . Q 5 HOH 31 231 40 HOH HOH I . Q 5 HOH 32 232 81 HOH HOH I . Q 5 HOH 33 233 500 HOH HOH I . Q 5 HOH 34 234 346 HOH HOH I . Q 5 HOH 35 235 172 HOH HOH I . Q 5 HOH 36 236 38 HOH HOH I . Q 5 HOH 37 237 528 HOH HOH I . Q 5 HOH 38 238 130 HOH HOH I . Q 5 HOH 39 239 28 HOH HOH I . Q 5 HOH 40 240 249 HOH HOH I . Q 5 HOH 41 241 261 HOH HOH I . Q 5 HOH 42 242 1083 HOH HOH I . Q 5 HOH 43 243 1103 HOH HOH I . Q 5 HOH 44 244 1054 HOH HOH I . Q 5 HOH 45 245 207 HOH HOH I . Q 5 HOH 46 246 963 HOH HOH I . Q 5 HOH 47 247 24 HOH HOH I . Q 5 HOH 48 248 846 HOH HOH I . Q 5 HOH 49 249 478 HOH HOH I . Q 5 HOH 50 250 289 HOH HOH I . Q 5 HOH 51 251 56 HOH HOH I . Q 5 HOH 52 252 764 HOH HOH I . Q 5 HOH 53 253 1070 HOH HOH I . Q 5 HOH 54 254 256 HOH HOH I . Q 5 HOH 55 255 620 HOH HOH I . Q 5 HOH 56 256 32 HOH HOH I . Q 5 HOH 57 257 55 HOH HOH I . Q 5 HOH 58 258 282 HOH HOH I . Q 5 HOH 59 259 874 HOH HOH I . Q 5 HOH 60 260 925 HOH HOH I . Q 5 HOH 61 261 389 HOH HOH I . Q 5 HOH 62 262 212 HOH HOH I . Q 5 HOH 63 263 6 HOH HOH I . Q 5 HOH 64 264 50 HOH HOH I . Q 5 HOH 65 265 280 HOH HOH I . Q 5 HOH 66 266 809 HOH HOH I . Q 5 HOH 67 267 270 HOH HOH I . Q 5 HOH 68 268 225 HOH HOH I . Q 5 HOH 69 269 465 HOH HOH I . Q 5 HOH 70 270 449 HOH HOH I . Q 5 HOH 71 271 168 HOH HOH I . Q 5 HOH 72 272 438 HOH HOH I . Q 5 HOH 73 273 199 HOH HOH I . Q 5 HOH 74 274 1036 HOH HOH I . Q 5 HOH 75 275 586 HOH HOH I . Q 5 HOH 76 276 458 HOH HOH I . Q 5 HOH 77 277 18 HOH HOH I . Q 5 HOH 78 278 993 HOH HOH I . Q 5 HOH 79 279 979 HOH HOH I . Q 5 HOH 80 280 740 HOH HOH I . Q 5 HOH 81 281 627 HOH HOH I . Q 5 HOH 82 282 1010 HOH HOH I . Q 5 HOH 83 283 292 HOH HOH I . Q 5 HOH 84 284 206 HOH HOH I . Q 5 HOH 85 285 762 HOH HOH I . Q 5 HOH 86 286 115 HOH HOH I . Q 5 HOH 87 287 777 HOH HOH I . Q 5 HOH 88 288 144 HOH HOH I . Q 5 HOH 89 289 947 HOH HOH I . Q 5 HOH 90 290 92 HOH HOH I . Q 5 HOH 91 291 656 HOH HOH I . Q 5 HOH 92 292 1110 HOH HOH I . Q 5 HOH 93 293 908 HOH HOH I . Q 5 HOH 94 294 616 HOH HOH I . Q 5 HOH 95 295 1033 HOH HOH I . Q 5 HOH 96 296 331 HOH HOH I . Q 5 HOH 97 297 480 HOH HOH I . Q 5 HOH 98 298 1019 HOH HOH I . Q 5 HOH 99 299 251 HOH HOH I . Q 5 HOH 100 300 47 HOH HOH I . Q 5 HOH 101 301 375 HOH HOH I . Q 5 HOH 102 302 273 HOH HOH I . Q 5 HOH 103 303 428 HOH HOH I . Q 5 HOH 104 304 338 HOH HOH I . Q 5 HOH 105 305 386 HOH HOH I . Q 5 HOH 106 306 422 HOH HOH I . Q 5 HOH 107 307 283 HOH HOH I . Q 5 HOH 108 308 462 HOH HOH I . Q 5 HOH 109 309 363 HOH HOH I . Q 5 HOH 110 310 312 HOH HOH I . Q 5 HOH 111 311 909 HOH HOH I . Q 5 HOH 112 312 1082 HOH HOH I . Q 5 HOH 113 313 213 HOH HOH I . Q 5 HOH 114 314 869 HOH HOH I . Q 5 HOH 115 315 825 HOH HOH I . Q 5 HOH 116 316 824 HOH HOH I . Q 5 HOH 117 317 623 HOH HOH I . Q 5 HOH 118 318 150 HOH HOH I . Q 5 HOH 119 319 1023 HOH HOH I . Q 5 HOH 120 320 615 HOH HOH I . Q 5 HOH 121 321 651 HOH HOH I . Q 5 HOH 122 322 143 HOH HOH I . Q 5 HOH 123 323 368 HOH HOH I . Q 5 HOH 124 324 789 HOH HOH I . Q 5 HOH 125 325 778 HOH HOH I . Q 5 HOH 126 326 1042 HOH HOH I . Q 5 HOH 127 327 302 HOH HOH I . Q 5 HOH 128 328 842 HOH HOH I . Q 5 HOH 129 329 1034 HOH HOH I . Q 5 HOH 130 330 681 HOH HOH I . Q 5 HOH 131 331 663 HOH HOH I . Q 5 HOH 132 332 929 HOH HOH I . Q 5 HOH 133 333 413 HOH HOH I . Q 5 HOH 134 334 559 HOH HOH I . Q 5 HOH 135 335 609 HOH HOH I . Q 5 HOH 136 336 814 HOH HOH I . Q 5 HOH 137 337 904 HOH HOH I . Q 5 HOH 138 338 227 HOH HOH I . Q 5 HOH 139 339 1087 HOH HOH I . Q 5 HOH 140 340 901 HOH HOH I . Q 5 HOH 141 341 394 HOH HOH I . Q 5 HOH 142 342 924 HOH HOH I . Q 5 HOH 143 343 781 HOH HOH I . Q 5 HOH 144 344 585 HOH HOH I . Q 5 HOH 145 345 538 HOH HOH I . Q 5 HOH 146 346 696 HOH HOH I . Q 5 HOH 147 347 723 HOH HOH I . Q 5 HOH 148 348 790 HOH HOH I . Q 5 HOH 149 349 565 HOH HOH I . Q 5 HOH 150 350 1104 HOH HOH I . Q 5 HOH 151 351 1105 HOH HOH I . Q 5 HOH 152 352 356 HOH HOH I . Q 5 HOH 153 353 946 HOH HOH I . Q 5 HOH 154 354 33 HOH HOH I . Q 5 HOH 155 355 950 HOH HOH I . Q 5 HOH 156 356 944 HOH HOH I . Q 5 HOH 157 357 773 HOH HOH I . Q 5 HOH 158 358 752 HOH HOH I . Q 5 HOH 159 359 378 HOH HOH I . Q 5 HOH 160 360 305 HOH HOH I . Q 5 HOH 161 361 417 HOH HOH I . Q 5 HOH 162 362 734 HOH HOH I . Q 5 HOH 163 363 573 HOH HOH I . Q 5 HOH 164 364 819 HOH HOH I . Q 5 HOH 165 365 668 HOH HOH I . Q 5 HOH 166 366 401 HOH HOH I . Q 5 HOH 167 367 415 HOH HOH I . Q 5 HOH 168 368 741 HOH HOH I . Q 5 HOH 169 369 277 HOH HOH I . Q 5 HOH 170 370 406 HOH HOH I . Q 5 HOH 171 371 792 HOH HOH I . Q 5 HOH 172 372 584 HOH HOH I . Q 5 HOH 173 373 507 HOH HOH I . Q 5 HOH 174 374 758 HOH HOH I . Q 5 HOH 175 375 384 HOH HOH I . Q 5 HOH 176 376 743 HOH HOH I . Q 5 HOH 177 377 823 HOH HOH I . Q 5 HOH 178 378 536 HOH HOH I . Q 5 HOH 179 379 707 HOH HOH I . R 5 HOH 1 401 1004 HOH HOH M . R 5 HOH 2 402 655 HOH HOH M . R 5 HOH 3 403 484 HOH HOH M . R 5 HOH 4 404 106 HOH HOH M . R 5 HOH 5 405 452 HOH HOH M . R 5 HOH 6 406 300 HOH HOH M . R 5 HOH 7 407 598 HOH HOH M . R 5 HOH 8 408 93 HOH HOH M . R 5 HOH 9 409 329 HOH HOH M . R 5 HOH 10 410 98 HOH HOH M . R 5 HOH 11 411 689 HOH HOH M . R 5 HOH 12 412 826 HOH HOH M . R 5 HOH 13 413 336 HOH HOH M . R 5 HOH 14 414 335 HOH HOH M . R 5 HOH 15 415 657 HOH HOH M . R 5 HOH 16 416 694 HOH HOH M . R 5 HOH 17 417 1032 HOH HOH M . R 5 HOH 18 418 128 HOH HOH M . R 5 HOH 19 419 1037 HOH HOH M . R 5 HOH 20 420 387 HOH HOH M . R 5 HOH 21 421 376 HOH HOH M . R 5 HOH 22 422 878 HOH HOH M . R 5 HOH 23 423 267 HOH HOH M . R 5 HOH 24 424 100 HOH HOH M . R 5 HOH 25 425 421 HOH HOH M . R 5 HOH 26 426 231 HOH HOH M . R 5 HOH 27 427 433 HOH HOH M . R 5 HOH 28 428 1002 HOH HOH M . R 5 HOH 29 429 794 HOH HOH M . R 5 HOH 30 430 333 HOH HOH M . R 5 HOH 31 431 116 HOH HOH M . R 5 HOH 32 432 191 HOH HOH M . R 5 HOH 33 433 1069 HOH HOH M . R 5 HOH 34 434 205 HOH HOH M . R 5 HOH 35 435 159 HOH HOH M . R 5 HOH 36 436 31 HOH HOH M . R 5 HOH 37 437 121 HOH HOH M . R 5 HOH 38 438 436 HOH HOH M . R 5 HOH 39 439 83 HOH HOH M . R 5 HOH 40 440 742 HOH HOH M . R 5 HOH 41 441 976 HOH HOH M . R 5 HOH 42 442 461 HOH HOH M . R 5 HOH 43 443 75 HOH HOH M . R 5 HOH 44 444 26 HOH HOH M . R 5 HOH 45 445 58 HOH HOH M . R 5 HOH 46 446 491 HOH HOH M . R 5 HOH 47 447 989 HOH HOH M . R 5 HOH 48 448 285 HOH HOH M . R 5 HOH 49 449 605 HOH HOH M . R 5 HOH 50 450 157 HOH HOH M . R 5 HOH 51 451 68 HOH HOH M . R 5 HOH 52 452 276 HOH HOH M . R 5 HOH 53 453 472 HOH HOH M . R 5 HOH 54 454 9 HOH HOH M . R 5 HOH 55 455 645 HOH HOH M . R 5 HOH 56 456 272 HOH HOH M . R 5 HOH 57 457 830 HOH HOH M . R 5 HOH 58 458 595 HOH HOH M . R 5 HOH 59 459 278 HOH HOH M . R 5 HOH 60 460 568 HOH HOH M . R 5 HOH 61 461 1088 HOH HOH M . R 5 HOH 62 462 53 HOH HOH M . R 5 HOH 63 463 468 HOH HOH M . R 5 HOH 64 464 455 HOH HOH M . R 5 HOH 65 465 1000 HOH HOH M . R 5 HOH 66 466 435 HOH HOH M . R 5 HOH 67 467 1089 HOH HOH M . R 5 HOH 68 468 437 HOH HOH M . R 5 HOH 69 469 15 HOH HOH M . R 5 HOH 70 470 608 HOH HOH M . R 5 HOH 71 471 104 HOH HOH M . R 5 HOH 72 472 22 HOH HOH M . R 5 HOH 73 473 998 HOH HOH M . R 5 HOH 74 474 119 HOH HOH M . R 5 HOH 75 475 174 HOH HOH M . R 5 HOH 76 476 1045 HOH HOH M . R 5 HOH 77 477 94 HOH HOH M . R 5 HOH 78 478 995 HOH HOH M . R 5 HOH 79 479 470 HOH HOH M . R 5 HOH 80 480 219 HOH HOH M . R 5 HOH 81 481 414 HOH HOH M . R 5 HOH 82 482 661 HOH HOH M . R 5 HOH 83 483 469 HOH HOH M . R 5 HOH 84 484 97 HOH HOH M . R 5 HOH 85 485 328 HOH HOH M . R 5 HOH 86 486 728 HOH HOH M . R 5 HOH 87 487 973 HOH HOH M . R 5 HOH 88 488 1126 HOH HOH M . R 5 HOH 89 489 41 HOH HOH M . R 5 HOH 90 490 358 HOH HOH M . R 5 HOH 91 491 173 HOH HOH M . R 5 HOH 92 492 103 HOH HOH M . R 5 HOH 93 493 2 HOH HOH M . R 5 HOH 94 494 882 HOH HOH M . R 5 HOH 95 495 1062 HOH HOH M . R 5 HOH 96 496 163 HOH HOH M . R 5 HOH 97 497 77 HOH HOH M . R 5 HOH 98 498 871 HOH HOH M . R 5 HOH 99 499 372 HOH HOH M . R 5 HOH 100 500 597 HOH HOH M . R 5 HOH 101 501 21 HOH HOH M . R 5 HOH 102 502 296 HOH HOH M . R 5 HOH 103 503 10 HOH HOH M . R 5 HOH 104 504 630 HOH HOH M . R 5 HOH 105 505 354 HOH HOH M . R 5 HOH 106 506 295 HOH HOH M . R 5 HOH 107 507 832 HOH HOH M . R 5 HOH 108 508 1048 HOH HOH M . R 5 HOH 109 509 1025 HOH HOH M . R 5 HOH 110 510 708 HOH HOH M . R 5 HOH 111 511 604 HOH HOH M . R 5 HOH 112 512 109 HOH HOH M . R 5 HOH 113 513 975 HOH HOH M . R 5 HOH 114 514 327 HOH HOH M . R 5 HOH 115 515 923 HOH HOH M . R 5 HOH 116 516 180 HOH HOH M . R 5 HOH 117 517 968 HOH HOH M . R 5 HOH 118 518 344 HOH HOH M . R 5 HOH 119 519 137 HOH HOH M . R 5 HOH 120 520 775 HOH HOH M . R 5 HOH 121 521 768 HOH HOH M . R 5 HOH 122 522 426 HOH HOH M . R 5 HOH 123 523 179 HOH HOH M . R 5 HOH 124 524 291 HOH HOH M . R 5 HOH 125 525 459 HOH HOH M . R 5 HOH 126 526 1056 HOH HOH M . R 5 HOH 127 527 798 HOH HOH M . R 5 HOH 128 528 1059 HOH HOH M . R 5 HOH 129 529 494 HOH HOH M . R 5 HOH 130 530 677 HOH HOH M . R 5 HOH 131 531 347 HOH HOH M . R 5 HOH 132 532 323 HOH HOH M . R 5 HOH 133 533 697 HOH HOH M . R 5 HOH 134 534 793 HOH HOH M . R 5 HOH 135 535 390 HOH HOH M . R 5 HOH 136 536 905 HOH HOH M . R 5 HOH 137 537 618 HOH HOH M . R 5 HOH 138 538 63 HOH HOH M . R 5 HOH 139 539 482 HOH HOH M . R 5 HOH 140 540 1068 HOH HOH M . R 5 HOH 141 541 942 HOH HOH M . R 5 HOH 142 542 711 HOH HOH M . R 5 HOH 143 543 821 HOH HOH M . R 5 HOH 144 544 575 HOH HOH M . R 5 HOH 145 545 951 HOH HOH M . R 5 HOH 146 546 508 HOH HOH M . R 5 HOH 147 547 714 HOH HOH M . R 5 HOH 148 548 553 HOH HOH M . R 5 HOH 149 549 669 HOH HOH M . R 5 HOH 150 550 515 HOH HOH M . R 5 HOH 151 551 1107 HOH HOH M . R 5 HOH 152 552 749 HOH HOH M . R 5 HOH 153 553 919 HOH HOH M . R 5 HOH 154 554 248 HOH HOH M . R 5 HOH 155 555 857 HOH HOH M . R 5 HOH 156 556 412 HOH HOH M . R 5 HOH 157 557 590 HOH HOH M . R 5 HOH 158 558 371 HOH HOH M . R 5 HOH 159 559 642 HOH HOH M . R 5 HOH 160 560 192 HOH HOH M . R 5 HOH 161 561 735 HOH HOH M . R 5 HOH 162 562 324 HOH HOH M . R 5 HOH 163 563 881 HOH HOH M . R 5 HOH 164 564 890 HOH HOH M . R 5 HOH 165 565 506 HOH HOH M . R 5 HOH 166 566 674 HOH HOH M . R 5 HOH 167 567 535 HOH HOH M . R 5 HOH 168 568 369 HOH HOH M . R 5 HOH 169 569 255 HOH HOH M . R 5 HOH 170 570 486 HOH HOH M . R 5 HOH 171 571 1106 HOH HOH M . R 5 HOH 172 572 340 HOH HOH M . R 5 HOH 173 573 1100 HOH HOH M . R 5 HOH 174 574 682 HOH HOH M . R 5 HOH 175 575 795 HOH HOH M . R 5 HOH 176 576 263 HOH HOH M . R 5 HOH 177 577 639 HOH HOH M . R 5 HOH 178 578 990 HOH HOH M . R 5 HOH 179 579 196 HOH HOH M . R 5 HOH 180 580 760 HOH HOH M . R 5 HOH 181 581 649 HOH HOH M . R 5 HOH 182 582 589 HOH HOH M . R 5 HOH 183 583 889 HOH HOH M . R 5 HOH 184 584 475 HOH HOH M . R 5 HOH 185 585 352 HOH HOH M . R 5 HOH 186 586 165 HOH HOH M . R 5 HOH 187 587 715 HOH HOH M . R 5 HOH 188 588 636 HOH HOH M . R 5 HOH 189 589 382 HOH HOH M . R 5 HOH 190 590 724 HOH HOH M . R 5 HOH 191 591 1114 HOH HOH M . R 5 HOH 192 592 692 HOH HOH M . S 5 HOH 1 301 547 HOH HOH B . S 5 HOH 2 302 721 HOH HOH B . S 5 HOH 3 303 189 HOH HOH B . S 5 HOH 4 304 1077 HOH HOH B . S 5 HOH 5 305 476 HOH HOH B . S 5 HOH 6 306 101 HOH HOH B . S 5 HOH 7 307 203 HOH HOH B . S 5 HOH 8 308 1120 HOH HOH B . S 5 HOH 9 309 72 HOH HOH B . S 5 HOH 10 310 244 HOH HOH B . S 5 HOH 11 311 246 HOH HOH B . S 5 HOH 12 312 349 HOH HOH B . S 5 HOH 13 313 516 HOH HOH B . S 5 HOH 14 314 91 HOH HOH B . S 5 HOH 15 315 483 HOH HOH B . S 5 HOH 16 316 220 HOH HOH B . S 5 HOH 17 317 361 HOH HOH B . S 5 HOH 18 318 395 HOH HOH B . S 5 HOH 19 319 965 HOH HOH B . S 5 HOH 20 320 11 HOH HOH B . S 5 HOH 21 321 84 HOH HOH B . S 5 HOH 22 322 316 HOH HOH B . S 5 HOH 23 323 448 HOH HOH B . S 5 HOH 24 324 74 HOH HOH B . S 5 HOH 25 325 195 HOH HOH B . S 5 HOH 26 326 451 HOH HOH B . S 5 HOH 27 327 353 HOH HOH B . S 5 HOH 28 328 85 HOH HOH B . S 5 HOH 29 329 124 HOH HOH B . S 5 HOH 30 330 1 HOH HOH B . S 5 HOH 31 331 1015 HOH HOH B . S 5 HOH 32 332 87 HOH HOH B . S 5 HOH 33 333 916 HOH HOH B . S 5 HOH 34 334 8 HOH HOH B . S 5 HOH 35 335 230 HOH HOH B . S 5 HOH 36 336 1043 HOH HOH B . S 5 HOH 37 337 147 HOH HOH B . S 5 HOH 38 338 113 HOH HOH B . S 5 HOH 39 339 82 HOH HOH B . S 5 HOH 40 340 1057 HOH HOH B . S 5 HOH 41 341 1113 HOH HOH B . S 5 HOH 42 342 133 HOH HOH B . S 5 HOH 43 343 313 HOH HOH B . S 5 HOH 44 344 441 HOH HOH B . S 5 HOH 45 345 286 HOH HOH B . S 5 HOH 46 346 158 HOH HOH B . S 5 HOH 47 347 988 HOH HOH B . S 5 HOH 48 348 110 HOH HOH B . S 5 HOH 49 349 504 HOH HOH B . S 5 HOH 50 350 224 HOH HOH B . S 5 HOH 51 351 90 HOH HOH B . S 5 HOH 52 352 498 HOH HOH B . S 5 HOH 53 353 805 HOH HOH B . S 5 HOH 54 354 362 HOH HOH B . S 5 HOH 55 355 242 HOH HOH B . S 5 HOH 56 356 304 HOH HOH B . S 5 HOH 57 357 281 HOH HOH B . S 5 HOH 58 358 1006 HOH HOH B . S 5 HOH 59 359 271 HOH HOH B . S 5 HOH 60 360 776 HOH HOH B . S 5 HOH 61 361 557 HOH HOH B . S 5 HOH 62 362 59 HOH HOH B . S 5 HOH 63 363 36 HOH HOH B . S 5 HOH 64 364 148 HOH HOH B . S 5 HOH 65 365 1072 HOH HOH B . S 5 HOH 66 366 167 HOH HOH B . S 5 HOH 67 367 359 HOH HOH B . S 5 HOH 68 368 959 HOH HOH B . S 5 HOH 69 369 114 HOH HOH B . S 5 HOH 70 370 509 HOH HOH B . S 5 HOH 71 371 223 HOH HOH B . S 5 HOH 72 372 76 HOH HOH B . S 5 HOH 73 373 73 HOH HOH B . S 5 HOH 74 374 193 HOH HOH B . S 5 HOH 75 375 16 HOH HOH B . S 5 HOH 76 376 279 HOH HOH B . S 5 HOH 77 377 326 HOH HOH B . S 5 HOH 78 378 25 HOH HOH B . S 5 HOH 79 379 545 HOH HOH B . S 5 HOH 80 380 3 HOH HOH B . S 5 HOH 81 381 614 HOH HOH B . S 5 HOH 82 382 155 HOH HOH B . S 5 HOH 83 383 750 HOH HOH B . S 5 HOH 84 384 307 HOH HOH B . S 5 HOH 85 385 345 HOH HOH B . S 5 HOH 86 386 61 HOH HOH B . S 5 HOH 87 387 419 HOH HOH B . S 5 HOH 88 388 647 HOH HOH B . S 5 HOH 89 389 853 HOH HOH B . S 5 HOH 90 390 245 HOH HOH B . S 5 HOH 91 391 948 HOH HOH B . S 5 HOH 92 392 200 HOH HOH B . S 5 HOH 93 393 502 HOH HOH B . S 5 HOH 94 394 274 HOH HOH B . S 5 HOH 95 395 214 HOH HOH B . S 5 HOH 96 396 44 HOH HOH B . S 5 HOH 97 397 54 HOH HOH B . S 5 HOH 98 398 876 HOH HOH B . S 5 HOH 99 399 138 HOH HOH B . S 5 HOH 100 400 520 HOH HOH B . S 5 HOH 101 401 153 HOH HOH B . S 5 HOH 102 402 178 HOH HOH B . S 5 HOH 103 403 69 HOH HOH B . S 5 HOH 104 404 105 HOH HOH B . S 5 HOH 105 405 45 HOH HOH B . S 5 HOH 106 406 350 HOH HOH B . S 5 HOH 107 407 238 HOH HOH B . S 5 HOH 108 408 1014 HOH HOH B . S 5 HOH 109 409 364 HOH HOH B . S 5 HOH 110 410 804 HOH HOH B . S 5 HOH 111 411 39 HOH HOH B . S 5 HOH 112 412 142 HOH HOH B . S 5 HOH 113 413 211 HOH HOH B . S 5 HOH 114 414 129 HOH HOH B . S 5 HOH 115 415 379 HOH HOH B . S 5 HOH 116 416 1108 HOH HOH B . S 5 HOH 117 417 241 HOH HOH B . S 5 HOH 118 418 701 HOH HOH B . S 5 HOH 119 419 556 HOH HOH B . S 5 HOH 120 420 1124 HOH HOH B . S 5 HOH 121 421 434 HOH HOH B . S 5 HOH 122 422 425 HOH HOH B . S 5 HOH 123 423 581 HOH HOH B . S 5 HOH 124 424 499 HOH HOH B . S 5 HOH 125 425 569 HOH HOH B . S 5 HOH 126 426 250 HOH HOH B . S 5 HOH 127 427 1094 HOH HOH B . S 5 HOH 128 428 561 HOH HOH B . S 5 HOH 129 429 166 HOH HOH B . S 5 HOH 130 430 443 HOH HOH B . S 5 HOH 131 431 237 HOH HOH B . S 5 HOH 132 432 42 HOH HOH B . S 5 HOH 133 433 746 HOH HOH B . S 5 HOH 134 434 588 HOH HOH B . S 5 HOH 135 435 29 HOH HOH B . S 5 HOH 136 436 525 HOH HOH B . S 5 HOH 137 437 537 HOH HOH B . S 5 HOH 138 438 872 HOH HOH B . S 5 HOH 139 439 427 HOH HOH B . S 5 HOH 140 440 996 HOH HOH B . S 5 HOH 141 441 838 HOH HOH B . S 5 HOH 142 442 974 HOH HOH B . S 5 HOH 143 443 513 HOH HOH B . S 5 HOH 144 444 440 HOH HOH B . S 5 HOH 145 445 738 HOH HOH B . S 5 HOH 146 446 260 HOH HOH B . S 5 HOH 147 447 970 HOH HOH B . S 5 HOH 148 448 613 HOH HOH B . S 5 HOH 149 449 717 HOH HOH B . S 5 HOH 150 450 997 HOH HOH B . S 5 HOH 151 451 218 HOH HOH B . S 5 HOH 152 452 1040 HOH HOH B . S 5 HOH 153 453 269 HOH HOH B . S 5 HOH 154 454 1063 HOH HOH B . S 5 HOH 155 455 861 HOH HOH B . S 5 HOH 156 456 797 HOH HOH B . S 5 HOH 157 457 253 HOH HOH B . S 5 HOH 158 458 643 HOH HOH B . S 5 HOH 159 459 635 HOH HOH B . S 5 HOH 160 460 999 HOH HOH B . S 5 HOH 161 461 496 HOH HOH B . S 5 HOH 162 462 646 HOH HOH B . S 5 HOH 163 463 902 HOH HOH B . S 5 HOH 164 464 757 HOH HOH B . S 5 HOH 165 465 398 HOH HOH B . S 5 HOH 166 466 571 HOH HOH B . S 5 HOH 167 467 722 HOH HOH B . S 5 HOH 168 468 1075 HOH HOH B . S 5 HOH 169 469 247 HOH HOH B . S 5 HOH 170 470 633 HOH HOH B . S 5 HOH 171 471 654 HOH HOH B . S 5 HOH 172 472 852 HOH HOH B . S 5 HOH 173 473 139 HOH HOH B . S 5 HOH 174 474 1118 HOH HOH B . S 5 HOH 175 475 1064 HOH HOH B . S 5 HOH 176 476 64 HOH HOH B . S 5 HOH 177 477 408 HOH HOH B . S 5 HOH 178 478 315 HOH HOH B . S 5 HOH 179 479 800 HOH HOH B . S 5 HOH 180 480 1008 HOH HOH B . S 5 HOH 181 481 739 HOH HOH B . S 5 HOH 182 482 1092 HOH HOH B . S 5 HOH 183 483 1028 HOH HOH B . S 5 HOH 184 484 332 HOH HOH B . S 5 HOH 185 485 252 HOH HOH B . S 5 HOH 186 486 399 HOH HOH B . S 5 HOH 187 487 226 HOH HOH B . S 5 HOH 188 488 542 HOH HOH B . S 5 HOH 189 489 298 HOH HOH B . S 5 HOH 190 490 803 HOH HOH B . S 5 HOH 191 491 306 HOH HOH B . S 5 HOH 192 492 648 HOH HOH B . S 5 HOH 193 493 864 HOH HOH B . S 5 HOH 194 494 216 HOH HOH B . S 5 HOH 195 495 712 HOH HOH B . S 5 HOH 196 496 930 HOH HOH B . S 5 HOH 197 497 505 HOH HOH B . S 5 HOH 198 498 576 HOH HOH B . S 5 HOH 199 499 388 HOH HOH B . S 5 HOH 200 500 704 HOH HOH B . S 5 HOH 201 501 1109 HOH HOH B . S 5 HOH 202 502 490 HOH HOH B . S 5 HOH 203 503 407 HOH HOH B . S 5 HOH 204 504 479 HOH HOH B . S 5 HOH 205 505 744 HOH HOH B . S 5 HOH 206 506 748 HOH HOH B . S 5 HOH 207 507 182 HOH HOH B . S 5 HOH 208 508 294 HOH HOH B . S 5 HOH 209 509 135 HOH HOH B . S 5 HOH 210 510 786 HOH HOH B . S 5 HOH 211 511 840 HOH HOH B . S 5 HOH 212 512 1112 HOH HOH B . S 5 HOH 213 513 641 HOH HOH B . S 5 HOH 214 514 732 HOH HOH B . S 5 HOH 215 515 600 HOH HOH B . S 5 HOH 216 516 141 HOH HOH B . S 5 HOH 217 517 574 HOH HOH B . S 5 HOH 218 518 658 HOH HOH B . S 5 HOH 219 519 926 HOH HOH B . S 5 HOH 220 520 780 HOH HOH B . S 5 HOH 221 521 409 HOH HOH B . # _pdbx_unobs_or_zero_occ_atoms.id 1 _pdbx_unobs_or_zero_occ_atoms.PDB_model_num 1 _pdbx_unobs_or_zero_occ_atoms.polymer_flag Y _pdbx_unobs_or_zero_occ_atoms.occupancy_flag 1 _pdbx_unobs_or_zero_occ_atoms.auth_asym_id M _pdbx_unobs_or_zero_occ_atoms.auth_comp_id ALA _pdbx_unobs_or_zero_occ_atoms.auth_seq_id 145 _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code ? _pdbx_unobs_or_zero_occ_atoms.auth_atom_id CB _pdbx_unobs_or_zero_occ_atoms.label_alt_id ? _pdbx_unobs_or_zero_occ_atoms.label_asym_id E _pdbx_unobs_or_zero_occ_atoms.label_comp_id ALA _pdbx_unobs_or_zero_occ_atoms.label_seq_id 2 _pdbx_unobs_or_zero_occ_atoms.label_atom_id CB # loop_ _software.citation_id _software.classification _software.compiler_name _software.compiler_version _software.contact_author _software.contact_author_email _software.date _software.description _software.dependencies _software.hardware _software.language _software.location _software.mods _software.name _software.os _software.os_version _software.type _software.version _software.pdbx_ordinal ? refinement ? ? ? ? ? ? ? ? ? ? ? PHENIX ? ? ? 1.21rc1_5156 1 ? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? xia2 ? ? ? . 2 ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? DIALS ? ? ? . 3 ? phasing ? ? ? ? ? ? ? ? ? ? ? PHASER ? ? ? . 4 # _cell.angle_alpha 90.000 _cell.angle_alpha_esd ? _cell.angle_beta 90.000 _cell.angle_beta_esd ? _cell.angle_gamma 90.000 _cell.angle_gamma_esd ? _cell.entry_id 9HUB _cell.details ? _cell.formula_units_Z ? _cell.length_a 79.051 _cell.length_a_esd ? _cell.length_b 84.735 _cell.length_b_esd ? _cell.length_c 102.829 _cell.length_c_esd ? _cell.volume 688784.957 _cell.volume_esd ? _cell.Z_PDB 8 _cell.reciprocal_angle_alpha ? _cell.reciprocal_angle_beta ? _cell.reciprocal_angle_gamma ? _cell.reciprocal_angle_alpha_esd ? _cell.reciprocal_angle_beta_esd ? _cell.reciprocal_angle_gamma_esd ? _cell.reciprocal_length_a ? _cell.reciprocal_length_b ? _cell.reciprocal_length_c ? _cell.reciprocal_length_a_esd ? _cell.reciprocal_length_b_esd ? _cell.reciprocal_length_c_esd ? _cell.pdbx_unique_axis ? _cell.pdbx_esd_method ? # _symmetry.entry_id 9HUB _symmetry.cell_setting ? _symmetry.Int_Tables_number 19 _symmetry.space_group_name_Hall 'P 2ac 2ab' _symmetry.space_group_name_H-M 'P 21 21 21' _symmetry.pdbx_full_space_group_name_H-M ? # _exptl.absorpt_coefficient_mu ? _exptl.absorpt_correction_T_max ? _exptl.absorpt_correction_T_min ? _exptl.absorpt_correction_type ? _exptl.absorpt_process_details ? _exptl.entry_id 9HUB _exptl.crystals_number 1 _exptl.details ? _exptl.method 'X-RAY DIFFRACTION' _exptl.method_details ? # _exptl_crystal.colour ? _exptl_crystal.density_diffrn ? _exptl_crystal.density_Matthews 2.23 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 44.92 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.id 1 _exptl_crystal.preparation ? _exptl_crystal.size_max ? _exptl_crystal.size_mid ? _exptl_crystal.size_min ? _exptl_crystal.size_rad ? _exptl_crystal.colour_lustre ? _exptl_crystal.colour_modifier ? _exptl_crystal.colour_primary ? _exptl_crystal.density_meas ? _exptl_crystal.density_meas_esd ? _exptl_crystal.density_meas_gt ? _exptl_crystal.density_meas_lt ? _exptl_crystal.density_meas_temp ? _exptl_crystal.density_meas_temp_esd ? _exptl_crystal.density_meas_temp_gt ? _exptl_crystal.density_meas_temp_lt ? _exptl_crystal.pdbx_crystal_image_url ? _exptl_crystal.pdbx_crystal_image_format ? _exptl_crystal.pdbx_mosaicity ? _exptl_crystal.pdbx_mosaicity_esd ? _exptl_crystal.pdbx_mosaic_method ? _exptl_crystal.pdbx_mosaic_block_size ? _exptl_crystal.pdbx_mosaic_block_size_esd ? # _exptl_crystal_grow.apparatus ? _exptl_crystal_grow.atmosphere ? _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.details ? _exptl_crystal_grow.method 'VAPOR DIFFUSION' _exptl_crystal_grow.method_ref ? _exptl_crystal_grow.pH 7.5 _exptl_crystal_grow.pressure ? _exptl_crystal_grow.pressure_esd ? _exptl_crystal_grow.seeding ? _exptl_crystal_grow.seeding_ref ? _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.temp_esd ? _exptl_crystal_grow.time ? _exptl_crystal_grow.pdbx_details '0.1 M HEPES pH 7.5, 70% (v/v) MPD)' _exptl_crystal_grow.pdbx_pH_range ? _exptl_crystal_grow.temp 293 # _diffrn.ambient_environment ? _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.ambient_temp_esd ? _diffrn.crystal_id 1 _diffrn.crystal_support ? _diffrn.crystal_treatment ? _diffrn.details ? _diffrn.id 1 _diffrn.ambient_pressure ? _diffrn.ambient_pressure_esd ? _diffrn.ambient_pressure_gt ? _diffrn.ambient_pressure_lt ? _diffrn.ambient_temp_gt ? _diffrn.ambient_temp_lt ? _diffrn.pdbx_serial_crystal_experiment N # _diffrn_detector.details ? _diffrn_detector.detector PIXEL _diffrn_detector.diffrn_id 1 _diffrn_detector.type 'DECTRIS EIGER2 S 16M' _diffrn_detector.area_resol_mean ? _diffrn_detector.dtime ? _diffrn_detector.pdbx_frames_total ? _diffrn_detector.pdbx_collection_time_total ? _diffrn_detector.pdbx_collection_date 2023-07-05 _diffrn_detector.pdbx_frequency ? _diffrn_detector.id ? _diffrn_detector.number_of_axes ? # _diffrn_radiation.collimation ? _diffrn_radiation.diffrn_id 1 _diffrn_radiation.filter_edge ? _diffrn_radiation.inhomogeneity ? _diffrn_radiation.monochromator ? _diffrn_radiation.polarisn_norm ? _diffrn_radiation.polarisn_ratio ? _diffrn_radiation.probe ? _diffrn_radiation.type ? _diffrn_radiation.xray_symbol ? _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_wavelength_list ? _diffrn_radiation.pdbx_wavelength ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_analyzer ? _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.033 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.current ? _diffrn_source.details ? _diffrn_source.diffrn_id 1 _diffrn_source.power ? _diffrn_source.size ? _diffrn_source.source SYNCHROTRON _diffrn_source.target ? _diffrn_source.type 'ESRF BEAMLINE ID23-1' _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 1.033 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline ID23-1 _diffrn_source.pdbx_synchrotron_site ESRF # _reflns.B_iso_Wilson_estimate 18.91 _reflns.entry_id 9HUB _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 1.33 _reflns.d_resolution_low 22.38 _reflns.details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.number_all ? _reflns.number_obs 158613 _reflns.observed_criterion ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.observed_criterion_I_max ? _reflns.observed_criterion_I_min ? _reflns.observed_criterion_sigma_F ? _reflns.observed_criterion_sigma_I ? _reflns.percent_possible_obs 99.61 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 13.3 _reflns.pdbx_netI_over_av_sigmaI ? _reflns.pdbx_netI_over_sigmaI 8.44 _reflns.pdbx_res_netI_over_av_sigmaI_2 ? _reflns.pdbx_res_netI_over_sigmaI_2 ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_d_res_high_opt ? _reflns.pdbx_d_res_low_opt ? _reflns.pdbx_d_res_opt_method ? _reflns.phase_calculation_details ? _reflns.pdbx_Rrim_I_all ? _reflns.pdbx_Rpim_I_all 0.03485 _reflns.pdbx_d_opt ? _reflns.pdbx_number_measured_all ? _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.pdbx_CC_half 0.998 _reflns.pdbx_CC_star ? _reflns.pdbx_R_split ? _reflns.pdbx_Rmerge_I_obs 0.1228 _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_CC_split_method ? _reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1] ? _reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2] ? _reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3] ? _reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1] ? _reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2] ? _reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3] ? _reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1] ? _reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2] ? _reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3] ? _reflns.pdbx_aniso_diffraction_limit_1 ? _reflns.pdbx_aniso_diffraction_limit_2 ? _reflns.pdbx_aniso_diffraction_limit_3 ? _reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1] ? _reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2] ? _reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3] ? _reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1] ? _reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2] ? _reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3] ? _reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1] ? _reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2] ? _reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3] ? _reflns.pdbx_aniso_B_tensor_eigenvalue_1 ? _reflns.pdbx_aniso_B_tensor_eigenvalue_2 ? _reflns.pdbx_aniso_B_tensor_eigenvalue_3 ? _reflns.pdbx_orthogonalization_convention ? _reflns.pdbx_percent_possible_ellipsoidal ? _reflns.pdbx_percent_possible_spherical ? _reflns.pdbx_percent_possible_ellipsoidal_anomalous ? _reflns.pdbx_percent_possible_spherical_anomalous ? _reflns.pdbx_redundancy_anomalous ? _reflns.pdbx_CC_half_anomalous ? _reflns.pdbx_absDiff_over_sigma_anomalous ? _reflns.pdbx_percent_possible_anomalous ? _reflns.pdbx_observed_signal_threshold ? _reflns.pdbx_signal_type ? _reflns.pdbx_signal_details ? _reflns.pdbx_signal_software_id ? # _reflns_shell.d_res_high 1.33 _reflns_shell.d_res_low 1.34 _reflns_shell.meanI_over_sigI_all ? _reflns_shell.meanI_over_sigI_obs ? _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_possible ? _reflns_shell.number_unique_all ? _reflns_shell.number_unique_obs 5216 _reflns_shell.percent_possible_obs ? _reflns_shell.Rmerge_F_all ? _reflns_shell.Rmerge_F_obs ? _reflns_shell.meanI_over_sigI_gt ? _reflns_shell.meanI_over_uI_all ? _reflns_shell.meanI_over_uI_gt ? _reflns_shell.number_measured_gt ? _reflns_shell.number_unique_gt ? _reflns_shell.percent_possible_gt ? _reflns_shell.Rmerge_F_gt ? _reflns_shell.Rmerge_I_gt ? _reflns_shell.pdbx_redundancy ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_netI_over_sigmaI_all ? _reflns_shell.pdbx_netI_over_sigmaI_obs ? _reflns_shell.pdbx_Rrim_I_all ? _reflns_shell.pdbx_Rpim_I_all 0.341 _reflns_shell.pdbx_rejects ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_CC_half 0.341 _reflns_shell.pdbx_CC_star ? _reflns_shell.pdbx_R_split ? _reflns_shell.percent_possible_all ? _reflns_shell.Rmerge_I_all ? _reflns_shell.Rmerge_I_obs 1 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.pdbx_percent_possible_ellipsoidal ? _reflns_shell.pdbx_percent_possible_spherical ? _reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous ? _reflns_shell.pdbx_percent_possible_spherical_anomalous ? _reflns_shell.pdbx_redundancy_anomalous ? _reflns_shell.pdbx_CC_half_anomalous ? _reflns_shell.pdbx_absDiff_over_sigma_anomalous ? _reflns_shell.pdbx_percent_possible_anomalous ? # _refine.aniso_B[1][1] ? _refine.aniso_B[1][2] ? _refine.aniso_B[1][3] ? _refine.aniso_B[2][2] ? _refine.aniso_B[2][3] ? _refine.aniso_B[3][3] ? _refine.B_iso_max ? _refine.B_iso_mean 27.74 _refine.B_iso_min ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.details ? _refine.diff_density_max ? _refine.diff_density_max_esd ? _refine.diff_density_min ? _refine.diff_density_min_esd ? _refine.diff_density_rms ? _refine.diff_density_rms_esd ? _refine.entry_id 9HUB _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.ls_abs_structure_details ? _refine.ls_abs_structure_Flack ? _refine.ls_abs_structure_Flack_esd ? _refine.ls_abs_structure_Rogers ? _refine.ls_abs_structure_Rogers_esd ? _refine.ls_d_res_high 1.33 _refine.ls_d_res_low 22.38 _refine.ls_extinction_coef ? _refine.ls_extinction_coef_esd ? _refine.ls_extinction_expression ? _refine.ls_extinction_method ? _refine.ls_goodness_of_fit_all ? _refine.ls_goodness_of_fit_all_esd ? _refine.ls_goodness_of_fit_obs ? _refine.ls_goodness_of_fit_obs_esd ? _refine.ls_hydrogen_treatment ? _refine.ls_matrix_type ? _refine.ls_number_constraints ? _refine.ls_number_parameters ? _refine.ls_number_reflns_all ? _refine.ls_number_reflns_obs 158001 _refine.ls_number_reflns_R_free 8021 _refine.ls_number_reflns_R_work 149980 _refine.ls_number_restraints ? _refine.ls_percent_reflns_obs 99.61 _refine.ls_percent_reflns_R_free 5.08 _refine.ls_R_factor_all ? _refine.ls_R_factor_obs 0.1608 _refine.ls_R_factor_R_free 0.1946 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_R_factor_R_work 0.1590 _refine.ls_R_Fsqd_factor_obs ? _refine.ls_R_I_factor_obs ? _refine.ls_redundancy_reflns_all ? _refine.ls_redundancy_reflns_obs ? _refine.ls_restrained_S_all ? _refine.ls_restrained_S_obs ? _refine.ls_shift_over_esd_max ? _refine.ls_shift_over_esd_mean ? _refine.ls_structure_factor_coef ? _refine.ls_weighting_details ? _refine.ls_weighting_scheme ? _refine.ls_wR_factor_all ? _refine.ls_wR_factor_obs ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.occupancy_max ? _refine.occupancy_min ? _refine.solvent_model_details 'FLAT BULK SOLVENT MODEL' _refine.solvent_model_param_bsol ? _refine.solvent_model_param_ksol ? _refine.pdbx_R_complete ? _refine.ls_R_factor_gt ? _refine.ls_goodness_of_fit_gt ? _refine.ls_goodness_of_fit_ref ? _refine.ls_shift_over_su_max ? _refine.ls_shift_over_su_max_lt ? _refine.ls_shift_over_su_mean ? _refine.ls_shift_over_su_mean_lt ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 1.33 _refine.pdbx_ls_sigma_Fsqd ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_ls_cross_valid_method 'FREE R-VALUE' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_starting_model ? _refine.pdbx_stereochemistry_target_values 'GeoStd + Monomer Library + CDL v1.2' _refine.pdbx_R_Free_selection_details ? _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.pdbx_solvent_vdw_probe_radii 1.1000 _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii 0.9000 _refine.pdbx_real_space_R ? _refine.pdbx_density_correlation ? _refine.pdbx_pd_number_of_powder_patterns ? _refine.pdbx_pd_number_of_points ? _refine.pdbx_pd_meas_number_of_points ? _refine.pdbx_pd_proc_ls_prof_R_factor ? _refine.pdbx_pd_proc_ls_prof_wR_factor ? _refine.pdbx_pd_Marquardt_correlation_coeff ? _refine.pdbx_pd_Fsqrd_R_factor ? _refine.pdbx_pd_ls_matrix_band_width ? _refine.pdbx_overall_phase_error 22.4974 _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_diffrn_id 1 _refine.overall_SU_B ? _refine.overall_SU_ML 0.2195 _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_average_fsc_overall ? _refine.pdbx_average_fsc_work ? _refine.pdbx_average_fsc_free ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.details ? _refine_hist.d_res_high 1.33 _refine_hist.d_res_low 22.38 _refine_hist.number_atoms_solvent 961 _refine_hist.number_atoms_total 5937 _refine_hist.number_reflns_all ? _refine_hist.number_reflns_obs ? _refine_hist.number_reflns_R_free ? _refine_hist.number_reflns_R_work ? _refine_hist.R_factor_all ? _refine_hist.R_factor_obs ? _refine_hist.R_factor_R_free ? _refine_hist.R_factor_R_work ? _refine_hist.pdbx_number_residues_total ? _refine_hist.pdbx_B_iso_mean_ligand ? _refine_hist.pdbx_B_iso_mean_solvent ? _refine_hist.pdbx_number_atoms_protein 4948 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 28 _refine_hist.pdbx_number_atoms_lipid ? _refine_hist.pdbx_number_atoms_carb ? _refine_hist.pdbx_pseudo_atom_details ? # loop_ _refine_ls_restr.pdbx_refine_id _refine_ls_restr.criterion _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.number _refine_ls_restr.rejects _refine_ls_restr.type _refine_ls_restr.weight _refine_ls_restr.pdbx_restraint_function 'X-RAY DIFFRACTION' ? 0.0078 ? 5253 ? f_bond_d ? ? 'X-RAY DIFFRACTION' ? 0.9962 ? 7139 ? f_angle_d ? ? 'X-RAY DIFFRACTION' ? 0.0846 ? 762 ? f_chiral_restr ? ? 'X-RAY DIFFRACTION' ? 0.0107 ? 937 ? f_plane_restr ? ? 'X-RAY DIFFRACTION' ? 16.1886 ? 1913 ? f_dihedral_angle_d ? ? # loop_ _refine_ls_shell.pdbx_refine_id _refine_ls_shell.d_res_high _refine_ls_shell.d_res_low _refine_ls_shell.number_reflns_all _refine_ls_shell.number_reflns_obs _refine_ls_shell.number_reflns_R_free _refine_ls_shell.number_reflns_R_work _refine_ls_shell.percent_reflns_obs _refine_ls_shell.percent_reflns_R_free _refine_ls_shell.R_factor_all _refine_ls_shell.R_factor_obs _refine_ls_shell.R_factor_R_free_error _refine_ls_shell.R_factor_R_work _refine_ls_shell.redundancy_reflns_all _refine_ls_shell.redundancy_reflns_obs _refine_ls_shell.wR_factor_all _refine_ls_shell.wR_factor_obs _refine_ls_shell.wR_factor_R_free _refine_ls_shell.wR_factor_R_work _refine_ls_shell.pdbx_R_complete _refine_ls_shell.pdbx_total_number_of_bins_used _refine_ls_shell.pdbx_phase_error _refine_ls_shell.pdbx_fsc_work _refine_ls_shell.pdbx_fsc_free _refine_ls_shell.R_factor_R_free 'X-RAY DIFFRACTION' 1.33 1.34 . . 270 4542 91.60 . . . . 0.4235 . . . . . . . . . . . 0.4132 'X-RAY DIFFRACTION' 1.34 1.36 . . 269 4891 98.01 . . . . 0.4021 . . . . . . . . . . . 0.4127 'X-RAY DIFFRACTION' 1.36 1.38 . . 280 4931 99.98 . . . . 0.3644 . . . . . . . . . . . 0.4073 'X-RAY DIFFRACTION' 1.38 1.39 . . 280 4964 99.98 . . . . 0.3497 . . . . . . . . . . . 0.3682 'X-RAY DIFFRACTION' 1.39 1.41 . . 280 4974 100.00 . . . . 0.3285 . . . . . . . . . . . 0.3538 'X-RAY DIFFRACTION' 1.41 1.43 . . 280 4936 99.92 . . . . 0.3024 . . . . . . . . . . . 0.3265 'X-RAY DIFFRACTION' 1.43 1.45 . . 252 4961 99.94 . . . . 0.2862 . . . . . . . . . . . 0.3124 'X-RAY DIFFRACTION' 1.45 1.47 . . 257 5003 99.98 . . . . 0.2635 . . . . . . . . . . . 0.3148 'X-RAY DIFFRACTION' 1.47 1.50 . . 254 4957 99.92 . . . . 0.2445 . . . . . . . . . . . 0.2836 'X-RAY DIFFRACTION' 1.50 1.52 . . 261 4993 99.92 . . . . 0.2233 . . . . . . . . . . . 0.2788 'X-RAY DIFFRACTION' 1.52 1.55 . . 245 5011 100.00 . . . . 0.2186 . . . . . . . . . . . 0.2759 'X-RAY DIFFRACTION' 1.55 1.58 . . 243 4998 99.96 . . . . 0.2091 . . . . . . . . . . . 0.2434 'X-RAY DIFFRACTION' 1.58 1.61 . . 241 5017 99.96 . . . . 0.1879 . . . . . . . . . . . 0.2268 'X-RAY DIFFRACTION' 1.61 1.64 . . 260 4974 100.00 . . . . 0.1720 . . . . . . . . . . . 0.2161 'X-RAY DIFFRACTION' 1.64 1.68 . . 289 4955 99.98 . . . . 0.1667 . . . . . . . . . . . 0.2269 'X-RAY DIFFRACTION' 1.68 1.71 . . 305 4966 100.00 . . . . 0.1582 . . . . . . . . . . . 0.2061 'X-RAY DIFFRACTION' 1.71 1.76 . . 270 5004 99.96 . . . . 0.1462 . . . . . . . . . . . 0.2179 'X-RAY DIFFRACTION' 1.76 1.80 . . 276 5017 99.96 . . . . 0.1364 . . . . . . . . . . . 0.1796 'X-RAY DIFFRACTION' 1.80 1.86 . . 287 4936 99.98 . . . . 0.1339 . . . . . . . . . . . 0.1744 'X-RAY DIFFRACTION' 1.86 1.92 . . 263 5033 99.98 . . . . 0.1356 . . . . . . . . . . . 0.1875 'X-RAY DIFFRACTION' 1.92 1.99 . . 252 5039 100.00 . . . . 0.1322 . . . . . . . . . . . 0.1817 'X-RAY DIFFRACTION' 1.99 2.07 . . 247 5061 100.00 . . . . 0.1334 . . . . . . . . . . . 0.1707 'X-RAY DIFFRACTION' 2.07 2.16 . . 283 4995 99.98 . . . . 0.1360 . . . . . . . . . . . 0.1759 'X-RAY DIFFRACTION' 2.16 2.27 . . 270 5055 100.00 . . . . 0.1396 . . . . . . . . . . . 0.1695 'X-RAY DIFFRACTION' 2.27 2.42 . . 245 5052 100.00 . . . . 0.1328 . . . . . . . . . . . 0.1684 'X-RAY DIFFRACTION' 2.42 2.60 . . 272 5043 100.00 . . . . 0.1335 . . . . . . . . . . . 0.1810 'X-RAY DIFFRACTION' 2.60 2.86 . . 286 5076 100.00 . . . . 0.1395 . . . . . . . . . . . 0.1584 'X-RAY DIFFRACTION' 2.86 3.28 . . 233 5143 100.00 . . . . 0.1480 . . . . . . . . . . . 0.1784 'X-RAY DIFFRACTION' 3.28 4.12 . . 245 5177 99.98 . . . . 0.1431 . . . . . . . . . . . 0.1858 'X-RAY DIFFRACTION' 4.12 22.38 . . 326 5276 99.40 . . . . 0.1552 . . . . . . . . . . . 0.1745 # _struct.entry_id 9HUB _struct.title 'D11 mAbs bound to alpha-Bungarotoxin at pH 7.5' _struct.pdbx_model_details ? _struct.pdbx_formula_weight ? _struct.pdbx_formula_weight_method ? _struct.pdbx_model_type_details ? _struct.pdbx_CASP_flag N # _struct_keywords.entry_id 9HUB _struct_keywords.text 'pH, toxin, antibody' _struct_keywords.pdbx_keywords TOXIN # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 2 ? D N N 3 ? E N N 1 ? F N N 3 ? G N N 4 ? H N N 4 ? I N N 4 ? J N N 4 ? K N N 4 ? L N N 4 ? M N N 4 ? N N N 5 ? O N N 5 ? P N N 5 ? Q N N 5 ? R N N 5 ? S N N 5 ? # loop_ _struct_ref.id _struct_ref.db_name _struct_ref.db_code _struct_ref.pdbx_db_accession _struct_ref.pdbx_db_isoform _struct_ref.entity_id _struct_ref.pdbx_seq_one_letter_code _struct_ref.pdbx_align_begin 1 PDB 9HUB 9HUB ? 1 ? 1 2 UNP 3L21A_BUNMU P60615 ? 2 ;MKTLLLTLVVVTIVCLDLGYTIVCHTTATSPISAVTCPPGENLCYRKMWCDAFCSSRGKVVELGCAATCPSKKPYEEVTC CSTDKCNPHPKQRPG ; 1 3 PDB 9HUB 9HUB ? 3 ? 1 # loop_ _struct_ref_seq.align_id _struct_ref_seq.ref_id _struct_ref_seq.pdbx_PDB_id_code _struct_ref_seq.pdbx_strand_id _struct_ref_seq.seq_align_beg _struct_ref_seq.pdbx_seq_align_beg_ins_code _struct_ref_seq.seq_align_end _struct_ref_seq.pdbx_seq_align_end_ins_code _struct_ref_seq.pdbx_db_accession _struct_ref_seq.db_align_beg _struct_ref_seq.pdbx_db_align_beg_ins_code _struct_ref_seq.db_align_end _struct_ref_seq.pdbx_db_align_end_ins_code _struct_ref_seq.pdbx_auth_seq_align_beg _struct_ref_seq.pdbx_auth_seq_align_end 1 1 9HUB C 1 ? 121 ? 9HUB 144 ? 264 ? 144 264 2 2 9HUB X 1 ? 95 ? P60615 1 ? 95 ? -20 74 3 2 9HUB Z 1 ? 95 ? P60615 1 ? 95 ? -20 74 4 3 9HUB I 1 ? 144 ? 9HUB 0 ? 143 ? 0 143 5 1 9HUB M 1 ? 121 ? 9HUB 144 ? 264 ? 144 264 6 3 9HUB B 1 ? 144 ? 9HUB 0 ? 143 ? 0 143 # 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 author_and_software_defined_assembly PISA trimeric 3 2 author_and_software_defined_assembly PISA trimeric 3 # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'ABSA (A^2)' 4340 ? 1 MORE -8 ? 1 'SSA (A^2)' 15060 ? 2 'ABSA (A^2)' 4130 ? 2 MORE -9 ? 2 'SSA (A^2)' 15250 ? # loop_ _pdbx_struct_assembly_gen.assembly_id _pdbx_struct_assembly_gen.oper_expression _pdbx_struct_assembly_gen.asym_id_list 1 1 A,B,F,G,H,I,L,M,N,O,S 2 1 C,D,E,J,K,P,Q,R # _pdbx_struct_assembly_auth_evidence.id 1 _pdbx_struct_assembly_auth_evidence.assembly_id 1 _pdbx_struct_assembly_auth_evidence.experimental_support none _pdbx_struct_assembly_auth_evidence.details ? # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 AA1 SER A 31 ? ASP A 35 ? SER C 174 ASP C 178 5 ? 5 HELX_P HELX_P2 AA2 LYS A 85 ? GLU A 89 ? LYS C 228 GLU C 232 5 ? 5 HELX_P HELX_P3 AA3 PHE B 53 ? GLY B 58 ? PHE X 32 GLY X 37 1 ? 6 HELX_P HELX_P4 AA4 HIS B 89 ? ARG B 93 ? HIS X 68 ARG X 72 5 ? 5 HELX_P HELX_P5 AA5 PHE C 53 ? GLY C 58 ? PHE Z 32 GLY Z 37 1 ? 6 HELX_P HELX_P6 AA6 HIS C 89 ? ARG C 93 ? HIS Z 68 ARG Z 72 5 ? 5 HELX_P HELX_P7 AA7 PRO D 54 ? GLY D 57 ? PRO I 53 GLY I 56 5 ? 4 HELX_P HELX_P8 AA8 GLU D 75 ? THR D 77 ? GLU I 74 THR I 76 5 ? 3 HELX_P HELX_P9 AA9 ARG D 88 ? THR D 92 ? ARG I 87 THR I 91 5 ? 5 HELX_P HELX_P10 AB1 SER E 31 ? ASP E 35 ? SER M 174 ASP M 178 5 ? 5 HELX_P HELX_P11 AB2 SER E 72 ? SER E 74 ? SER M 215 SER M 217 5 ? 3 HELX_P HELX_P12 AB3 LYS E 85 ? GLU E 89 ? LYS M 228 GLU M 232 5 ? 5 HELX_P HELX_P13 AB4 GLU F 75 ? THR F 77 ? GLU B 74 THR B 76 5 ? 3 HELX_P HELX_P14 AB5 ARG F 88 ? THR F 92 ? ARG B 87 THR B 91 5 ? 5 # _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 disulf1 disulf ? ? A CYS 25 SG ? ? ? 1_555 A CYS 94 SG ? ? C CYS 168 C CYS 237 1_555 ? ? ? ? ? ? ? 2.122 ? ? disulf2 disulf ? ? B CYS 24 SG ? ? ? 1_555 B CYS 44 SG ? ? X CYS 3 X CYS 23 1_555 ? ? ? ? ? ? ? 2.018 ? ? disulf3 disulf ? ? B CYS 37 SG ? ? ? 1_555 B CYS 65 SG ? ? X CYS 16 X CYS 44 1_555 ? ? ? ? ? ? ? 2.042 ? ? disulf4 disulf ? ? B CYS 50 SG ? ? ? 1_555 B CYS 54 SG ? ? X CYS 29 X CYS 33 1_555 ? ? ? ? ? ? ? 2.083 ? ? disulf5 disulf ? ? B CYS 69 SG ? ? ? 1_555 B CYS 80 SG ? ? X CYS 48 X CYS 59 1_555 ? ? ? ? ? ? ? 2.080 ? ? disulf6 disulf ? ? B CYS 81 SG ? ? ? 1_555 B CYS 86 SG ? ? X CYS 60 X CYS 65 1_555 ? ? ? ? ? ? ? 2.045 ? ? disulf7 disulf ? ? C CYS 24 SG ? ? ? 1_555 C CYS 44 SG ? ? Z CYS 3 Z CYS 23 1_555 ? ? ? ? ? ? ? 2.019 ? ? disulf8 disulf ? ? C CYS 37 SG ? ? ? 1_555 C CYS 65 SG ? ? Z CYS 16 Z CYS 44 1_555 ? ? ? ? ? ? ? 2.055 ? ? disulf9 disulf ? ? C CYS 50 SG ? ? ? 1_555 C CYS 54 SG ? ? Z CYS 29 Z CYS 33 1_555 ? ? ? ? ? ? ? 2.066 ? ? disulf10 disulf ? ? C CYS 69 SG ? ? ? 1_555 C CYS 80 SG ? ? Z CYS 48 Z CYS 59 1_555 ? ? ? ? ? ? ? 2.096 ? ? disulf11 disulf ? ? C CYS 81 SG ? ? ? 1_555 C CYS 86 SG ? ? Z CYS 60 Z CYS 65 1_555 ? ? ? ? ? ? ? 2.009 ? ? disulf12 disulf ? ? D CYS 23 SG ? ? ? 1_555 D CYS 97 SG ? ? I CYS 22 I CYS 96 1_555 ? ? ? ? ? ? ? 2.055 ? ? disulf13 disulf ? ? D CYS 105 SG ? ? ? 1_555 D CYS 110 SG ? ? I CYS 104 I CYS 109 1_555 ? ? ? ? ? ? ? 2.077 ? ? disulf14 disulf ? ? E CYS 25 SG A ? ? 1_555 E CYS 94 SG A ? M CYS 168 M CYS 237 1_555 ? ? ? ? ? ? ? 2.007 ? ? disulf15 disulf ? ? E CYS 25 SG B ? ? 1_555 E CYS 94 SG B ? M CYS 168 M CYS 237 1_555 ? ? ? ? ? ? ? 2.066 ? ? disulf16 disulf ? ? F CYS 23 SG ? ? ? 1_555 F CYS 97 SG ? ? B CYS 22 B CYS 96 1_555 ? ? ? ? ? ? ? 2.081 ? ? disulf17 disulf ? ? F CYS 105 SG ? ? ? 1_555 F CYS 110 SG ? ? B CYS 104 B CYS 109 1_555 ? ? ? ? ? ? ? 2.135 ? ? # _struct_conn_type.id disulf _struct_conn_type.criteria ? _struct_conn_type.reference ? # loop_ _pdbx_modification_feature.ordinal _pdbx_modification_feature.label_comp_id _pdbx_modification_feature.label_asym_id _pdbx_modification_feature.label_seq_id _pdbx_modification_feature.label_alt_id _pdbx_modification_feature.modified_residue_label_comp_id _pdbx_modification_feature.modified_residue_label_asym_id _pdbx_modification_feature.modified_residue_label_seq_id _pdbx_modification_feature.modified_residue_label_alt_id _pdbx_modification_feature.auth_comp_id _pdbx_modification_feature.auth_asym_id _pdbx_modification_feature.auth_seq_id _pdbx_modification_feature.PDB_ins_code _pdbx_modification_feature.symmetry _pdbx_modification_feature.modified_residue_auth_comp_id _pdbx_modification_feature.modified_residue_auth_asym_id _pdbx_modification_feature.modified_residue_auth_seq_id _pdbx_modification_feature.modified_residue_PDB_ins_code _pdbx_modification_feature.modified_residue_symmetry _pdbx_modification_feature.comp_id_linking_atom _pdbx_modification_feature.modified_residue_id_linking_atom _pdbx_modification_feature.modified_residue_id _pdbx_modification_feature.ref_pcm_id _pdbx_modification_feature.ref_comp_id _pdbx_modification_feature.type _pdbx_modification_feature.category 1 CYS A 25 ? CYS A 94 ? CYS C 168 ? 1_555 CYS C 237 ? 1_555 SG SG . . . None 'Disulfide bridge' 2 CYS B 24 ? CYS B 44 ? CYS X 3 ? 1_555 CYS X 23 ? 1_555 SG SG . . . None 'Disulfide bridge' 3 CYS B 37 ? CYS B 65 ? CYS X 16 ? 1_555 CYS X 44 ? 1_555 SG SG . . . None 'Disulfide bridge' 4 CYS B 50 ? CYS B 54 ? CYS X 29 ? 1_555 CYS X 33 ? 1_555 SG SG . . . None 'Disulfide bridge' 5 CYS B 69 ? CYS B 80 ? CYS X 48 ? 1_555 CYS X 59 ? 1_555 SG SG . . . None 'Disulfide bridge' 6 CYS B 81 ? CYS B 86 ? CYS X 60 ? 1_555 CYS X 65 ? 1_555 SG SG . . . None 'Disulfide bridge' 7 CYS C 24 ? CYS C 44 ? CYS Z 3 ? 1_555 CYS Z 23 ? 1_555 SG SG . . . None 'Disulfide bridge' 8 CYS C 37 ? CYS C 65 ? CYS Z 16 ? 1_555 CYS Z 44 ? 1_555 SG SG . . . None 'Disulfide bridge' 9 CYS C 50 ? CYS C 54 ? CYS Z 29 ? 1_555 CYS Z 33 ? 1_555 SG SG . . . None 'Disulfide bridge' 10 CYS C 69 ? CYS C 80 ? CYS Z 48 ? 1_555 CYS Z 59 ? 1_555 SG SG . . . None 'Disulfide bridge' 11 CYS C 81 ? CYS C 86 ? CYS Z 60 ? 1_555 CYS Z 65 ? 1_555 SG SG . . . None 'Disulfide bridge' 12 CYS D 23 ? CYS D 97 ? CYS I 22 ? 1_555 CYS I 96 ? 1_555 SG SG . . . None 'Disulfide bridge' 13 CYS D 105 ? CYS D 110 ? CYS I 104 ? 1_555 CYS I 109 ? 1_555 SG SG . . . None 'Disulfide bridge' 14 CYS E 25 A CYS E 94 A CYS M 168 ? 1_555 CYS M 237 ? 1_555 SG SG . . . None 'Disulfide bridge' 15 CYS E 25 B CYS E 94 B CYS M 168 ? 1_555 CYS M 237 ? 1_555 SG SG . . . None 'Disulfide bridge' 16 CYS F 23 ? CYS F 97 ? CYS B 22 ? 1_555 CYS B 96 ? 1_555 SG SG . . . None 'Disulfide bridge' 17 CYS F 105 ? CYS F 110 ? CYS B 104 ? 1_555 CYS B 109 ? 1_555 SG SG . . . None 'Disulfide bridge' # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 SER 30 B . ? SER 9 X PRO 31 B ? PRO 10 X 1 -6.16 2 SER 30 C . ? SER 9 Z PRO 31 C ? PRO 10 Z 1 -6.77 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA1 ? 4 ? AA2 ? 5 ? AA3 ? 4 ? AA4 ? 2 ? AA5 ? 5 ? AA6 ? 2 ? AA7 ? 5 ? AA8 ? 4 ? AA9 ? 6 ? AB1 ? 4 ? AB2 ? 4 ? AB3 ? 5 ? AB4 ? 4 ? AB5 ? 4 ? AB6 ? 6 ? AB7 ? 4 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense AA1 1 2 ? anti-parallel AA1 2 3 ? anti-parallel AA1 3 4 ? anti-parallel AA2 1 2 ? parallel AA2 2 3 ? anti-parallel AA2 3 4 ? anti-parallel AA2 4 5 ? anti-parallel AA3 1 2 ? parallel AA3 2 3 ? anti-parallel AA3 3 4 ? anti-parallel AA4 1 2 ? anti-parallel AA5 1 2 ? anti-parallel AA5 2 3 ? anti-parallel AA5 3 4 ? anti-parallel AA5 4 5 ? anti-parallel AA6 1 2 ? anti-parallel AA7 1 2 ? anti-parallel AA7 2 3 ? anti-parallel AA7 3 4 ? anti-parallel AA7 4 5 ? anti-parallel AA8 1 2 ? anti-parallel AA8 2 3 ? anti-parallel AA8 3 4 ? anti-parallel AA9 1 2 ? parallel AA9 2 3 ? anti-parallel AA9 3 4 ? anti-parallel AA9 4 5 ? anti-parallel AA9 5 6 ? anti-parallel AB1 1 2 ? parallel AB1 2 3 ? anti-parallel AB1 3 4 ? anti-parallel AB2 1 2 ? anti-parallel AB2 2 3 ? anti-parallel AB2 3 4 ? anti-parallel AB3 1 2 ? parallel AB3 2 3 ? anti-parallel AB3 3 4 ? anti-parallel AB3 4 5 ? anti-parallel AB4 1 2 ? parallel AB4 2 3 ? anti-parallel AB4 3 4 ? anti-parallel AB5 1 2 ? anti-parallel AB5 2 3 ? anti-parallel AB5 3 4 ? anti-parallel AB6 1 2 ? parallel AB6 2 3 ? anti-parallel AB6 3 4 ? anti-parallel AB6 4 5 ? anti-parallel AB6 5 6 ? anti-parallel AB7 1 2 ? parallel AB7 2 3 ? anti-parallel AB7 3 4 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id AA1 1 LEU A 7 ? THR A 8 ? LEU C 150 THR C 151 AA1 2 VAL A 21 ? ARG A 27 ? VAL C 164 ARG C 170 AA1 3 SER A 76 ? ILE A 81 ? SER C 219 ILE C 224 AA1 4 PHE A 66 ? ASP A 71 ? PHE C 209 ASP C 214 AA2 1 SER A 12 ? GLU A 15 ? SER C 155 GLU C 158 AA2 2 THR A 110 ? VAL A 114 ? THR C 253 VAL C 257 AA2 3 ALA A 90 ? ASP A 98 ? ALA C 233 ASP C 241 AA2 4 HIS A 38 ? GLN A 42 ? HIS C 181 GLN C 185 AA2 5 THR A 49 ? ILE A 52 ? THR C 192 ILE C 195 AA3 1 SER A 12 ? GLU A 15 ? SER C 155 GLU C 158 AA3 2 THR A 110 ? VAL A 114 ? THR C 253 VAL C 257 AA3 3 ALA A 90 ? ASP A 98 ? ALA C 233 ASP C 241 AA3 4 GLU A 103 ? PHE A 106 ? GLU C 246 PHE C 249 AA4 1 VAL B 23 ? THR B 26 ? VAL X 2 THR X 5 AA4 2 SER B 33 ? THR B 36 ? SER X 12 THR X 15 AA5 1 GLU B 77 ? CYS B 81 ? GLU X 56 CYS X 60 AA5 2 LEU B 43 ? TRP B 49 ? LEU X 22 TRP X 28 AA5 3 VAL B 60 ? ALA B 66 ? VAL X 39 ALA X 45 AA5 4 SER F 109 ? TYR F 111 ? SER B 108 TYR B 110 AA5 5 CYS F 105 ? SER F 106 ? CYS B 104 SER B 105 AA6 1 VAL C 23 ? THR C 26 ? VAL Z 2 THR Z 5 AA6 2 SER C 33 ? THR C 36 ? SER Z 12 THR Z 15 AA7 1 GLU C 76 ? CYS C 81 ? GLU Z 55 CYS Z 60 AA7 2 LEU C 43 ? TRP C 49 ? LEU Z 22 TRP Z 28 AA7 3 VAL C 60 ? ALA C 66 ? VAL Z 39 ALA Z 45 AA7 4 SER D 109 ? TYR D 111 ? SER I 108 TYR I 110 AA7 5 CYS D 105 ? SER D 106 ? CYS I 104 SER I 105 AA8 1 GLN D 4 ? GLN D 7 ? GLN I 3 GLN I 6 AA8 2 VAL D 19 ? SER D 26 ? VAL I 18 SER I 25 AA8 3 THR D 79 ? LEU D 84 ? THR I 78 LEU I 83 AA8 4 VAL D 69 ? ASP D 74 ? VAL I 68 ASP I 73 AA9 1 GLU D 11 ? LYS D 13 ? GLU I 10 LYS I 12 AA9 2 THR D 126 ? VAL D 130 ? THR I 125 VAL I 129 AA9 3 ALA D 93 ? ASP D 100 ? ALA I 92 ASP I 99 AA9 4 ILE D 35 ? GLN D 40 ? ILE I 34 GLN I 39 AA9 5 LEU D 46 ? ILE D 53 ? LEU I 45 ILE I 52 AA9 6 THR D 58 ? TYR D 61 ? THR I 57 TYR I 60 AB1 1 GLU D 11 ? LYS D 13 ? GLU I 10 LYS I 12 AB1 2 THR D 126 ? VAL D 130 ? THR I 125 VAL I 129 AB1 3 ALA D 93 ? ASP D 100 ? ALA I 92 ASP I 99 AB1 4 MET D 119 ? TRP D 122 ? MET I 118 TRP I 121 AB2 1 LEU E 7 ? THR E 8 ? LEU M 150 THR M 151 AB2 2 VAL E 21 ? ARG E 27 ? VAL M 164 ARG M 170 AB2 3 SER E 76 ? ILE E 81 ? SER M 219 ILE M 224 AB2 4 PHE E 66 ? ASP E 71 ? PHE M 209 ASP M 214 AB3 1 SER E 12 ? GLU E 15 ? SER M 155 GLU M 158 AB3 2 THR E 110 ? VAL E 114 ? THR M 253 VAL M 257 AB3 3 ALA E 90 ? ASP E 98 ? ALA M 233 ASP M 241 AB3 4 HIS E 38 ? GLN E 42 ? HIS M 181 GLN M 185 AB3 5 THR E 49 ? ILE E 52 ? THR M 192 ILE M 195 AB4 1 SER E 12 ? GLU E 15 ? SER M 155 GLU M 158 AB4 2 THR E 110 ? VAL E 114 ? THR M 253 VAL M 257 AB4 3 ALA E 90 ? ASP E 98 ? ALA M 233 ASP M 241 AB4 4 GLU E 103 ? PHE E 106 ? GLU M 246 PHE M 249 AB5 1 LEU F 5 ? GLN F 7 ? LEU B 4 GLN B 6 AB5 2 VAL F 19 ? ALA F 25 ? VAL B 18 ALA B 24 AB5 3 THR F 79 ? LEU F 84 ? THR B 78 LEU B 83 AB5 4 VAL F 69 ? ASP F 74 ? VAL B 68 ASP B 73 AB6 1 GLU F 11 ? LYS F 13 ? GLU B 10 LYS B 12 AB6 2 THR F 126 ? VAL F 130 ? THR B 125 VAL B 129 AB6 3 ALA F 93 ? ASP F 100 ? ALA B 92 ASP B 99 AB6 4 ILE F 35 ? GLN F 40 ? ILE B 34 GLN B 39 AB6 5 LEU F 46 ? ILE F 53 ? LEU B 45 ILE B 52 AB6 6 THR F 58 ? TYR F 61 ? THR B 57 TYR B 60 AB7 1 GLU F 11 ? LYS F 13 ? GLU B 10 LYS B 12 AB7 2 THR F 126 ? VAL F 130 ? THR B 125 VAL B 129 AB7 3 ALA F 93 ? ASP F 100 ? ALA B 92 ASP B 99 AB7 4 MET F 119 ? TRP F 122 ? MET B 118 TRP B 121 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id AA1 1 2 N THR A 8 ? N THR C 151 O THR A 26 ? O THR C 169 AA1 2 3 N VAL A 21 ? N VAL C 164 O ILE A 81 ? O ILE C 224 AA1 3 4 O SER A 76 ? O SER C 219 N ASP A 71 ? N ASP C 214 AA2 1 2 N VAL A 13 ? N VAL C 156 O THR A 113 ? O THR C 256 AA2 2 3 O LEU A 112 ? O LEU C 255 N ALA A 90 ? N ALA C 233 AA2 3 4 O ASP A 91 ? O ASP C 234 N GLN A 42 ? N GLN C 185 AA2 4 5 N TRP A 39 ? N TRP C 182 O ILE A 52 ? O ILE C 195 AA3 1 2 N VAL A 13 ? N VAL C 156 O THR A 113 ? O THR C 256 AA3 2 3 O LEU A 112 ? O LEU C 255 N ALA A 90 ? N ALA C 233 AA3 3 4 N ASP A 98 ? N ASP C 241 O GLU A 103 ? O GLU C 246 AA4 1 2 N THR B 26 ? N THR X 5 O SER B 33 ? O SER X 12 AA5 1 2 O CYS B 81 ? O CYS X 60 N CYS B 44 ? N CYS X 23 AA5 2 3 N TRP B 49 ? N TRP X 28 O VAL B 60 ? O VAL X 39 AA5 3 4 N VAL B 61 ? N VAL X 40 O CYS F 110 ? O CYS B 109 AA5 4 5 O SER F 109 ? O SER B 108 N SER F 106 ? N SER B 105 AA6 1 2 N THR C 26 ? N THR Z 5 O SER C 33 ? O SER Z 12 AA7 1 2 O CYS C 81 ? O CYS Z 60 N CYS C 44 ? N CYS Z 23 AA7 2 3 N TRP C 49 ? N TRP Z 28 O VAL C 60 ? O VAL Z 39 AA7 3 4 N VAL C 61 ? N VAL Z 40 O CYS D 110 ? O CYS I 109 AA7 4 5 O SER D 109 ? O SER I 108 N SER D 106 ? N SER I 105 AA8 1 2 N VAL D 6 ? N VAL I 5 O LYS D 24 ? O LYS I 23 AA8 2 3 N CYS D 23 ? N CYS I 22 O ALA D 80 ? O ALA I 79 AA8 3 4 O THR D 79 ? O THR I 78 N ASP D 74 ? N ASP I 73 AA9 1 2 N LYS D 13 ? N LYS I 12 O THR D 129 ? O THR I 128 AA9 2 3 O THR D 126 ? O THR I 125 N TYR D 95 ? N TYR I 94 AA9 3 4 O TYR D 96 ? O TYR I 95 N VAL D 38 ? N VAL I 37 AA9 4 5 N TRP D 37 ? N TRP I 36 O MET D 49 ? O MET I 48 AA9 5 6 N GLY D 51 ? N GLY I 50 O ASN D 60 ? O ASN I 59 AB1 1 2 N LYS D 13 ? N LYS I 12 O THR D 129 ? O THR I 128 AB1 2 3 O THR D 126 ? O THR I 125 N TYR D 95 ? N TYR I 94 AB1 3 4 N ARG D 99 ? N ARG I 98 O VAL D 121 ? O VAL I 120 AB2 1 2 N THR E 8 ? N THR M 151 O THR E 26 ? O THR M 169 AB2 2 3 N CYS E 25 ? N CYS M 168 O ALA E 77 ? O ALA M 220 AB2 3 4 O SER E 76 ? O SER M 219 N ASP E 71 ? N ASP M 214 AB3 1 2 N VAL E 13 ? N VAL M 156 O THR E 113 ? O THR M 256 AB3 2 3 O LEU E 112 ? O LEU M 255 N ALA E 90 ? N ALA M 233 AB3 3 4 O ASP E 91 ? O ASP M 234 N GLN E 42 ? N GLN M 185 AB3 4 5 N TRP E 39 ? N TRP M 182 O ILE E 52 ? O ILE M 195 AB4 1 2 N VAL E 13 ? N VAL M 156 O THR E 113 ? O THR M 256 AB4 2 3 O LEU E 112 ? O LEU M 255 N ALA E 90 ? N ALA M 233 AB4 3 4 N ASP E 98 ? N ASP M 241 O GLU E 103 ? O GLU M 246 AB5 1 2 N VAL F 6 ? N VAL B 5 O LYS F 24 ? O LYS B 23 AB5 2 3 N CYS F 23 ? N CYS B 22 O ALA F 80 ? O ALA B 79 AB5 3 4 O TYR F 81 ? O TYR B 80 N THR F 72 ? N THR B 71 AB6 1 2 N LYS F 13 ? N LYS B 12 O THR F 129 ? O THR B 128 AB6 2 3 O THR F 126 ? O THR B 125 N TYR F 95 ? N TYR B 94 AB6 3 4 O TYR F 96 ? O TYR B 95 N VAL F 38 ? N VAL B 37 AB6 4 5 N ARG F 39 ? N ARG B 38 O GLU F 47 ? O GLU B 46 AB6 5 6 N GLY F 51 ? N GLY B 50 O ASN F 60 ? O ASN B 59 AB7 1 2 N LYS F 13 ? N LYS B 12 O THR F 129 ? O THR B 128 AB7 2 3 O THR F 126 ? O THR B 125 N TYR F 95 ? N TYR B 94 AB7 3 4 N ARG F 99 ? N ARG B 98 O VAL F 121 ? O VAL B 120 # _pdbx_entry_details.entry_id 9HUB _pdbx_entry_details.nonpolymer_details ? _pdbx_entry_details.sequence_details ? _pdbx_entry_details.compound_details ? _pdbx_entry_details.source_details ? _pdbx_entry_details.has_ligand_of_interest N _pdbx_entry_details.has_protein_modification Y # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 O I HOH 294 ? ? O I HOH 342 ? ? 1.75 2 1 O M HOH 463 ? ? O M HOH 467 ? ? 1.77 3 1 O X HOH 285 ? ? O X HOH 301 ? ? 1.79 4 1 O C HOH 420 ? ? O C HOH 421 ? ? 1.80 5 1 NZ M LYS 254 ? ? O M HOH 401 ? ? 1.81 6 1 O Z HOH 149 ? ? O Z HOH 183 ? ? 1.83 7 1 O X HOH 221 ? ? O X HOH 285 ? ? 1.84 8 1 O M HOH 416 ? ? O M HOH 528 ? ? 1.84 9 1 O B HOH 357 ? ? O B HOH 486 ? ? 1.85 10 1 O C HOH 466 ? ? O C HOH 489 ? ? 1.85 11 1 O C HOH 500 ? ? O C HOH 533 ? ? 1.86 12 1 O X HOH 206 ? ? O X HOH 263 ? ? 1.87 13 1 O M HOH 530 ? ? O M HOH 557 ? ? 1.89 14 1 O B HOH 301 ? ? O B HOH 444 ? ? 1.94 15 1 O Z HOH 106 ? ? O Z HOH 175 ? ? 1.94 16 1 O X HOH 227 ? ? O X HOH 292 ? ? 1.95 17 1 O C HOH 505 ? ? O C HOH 514 ? ? 1.96 18 1 O C HOH 525 ? ? O B HOH 426 ? ? 1.97 19 1 O Z HOH 194 ? ? O Z HOH 195 ? ? 1.99 20 1 O I HOH 336 ? ? O M HOH 559 ? ? 2.00 21 1 O I HOH 202 ? ? O I HOH 270 ? ? 2.01 22 1 O X HOH 229 ? ? O Z HOH 172 ? ? 2.01 23 1 O C HOH 530 ? ? O C HOH 536 ? ? 2.01 24 1 O Z HOH 102 ? ? O Z HOH 124 ? ? 2.03 25 1 O X HOH 228 ? ? O B HOH 475 ? ? 2.03 26 1 O M HOH 476 ? ? O M HOH 533 ? ? 2.04 27 1 O M HOH 458 ? ? O M HOH 538 ? ? 2.04 28 1 O B HOH 416 ? ? O B HOH 461 ? ? 2.06 29 1 O I HOH 311 ? ? O I HOH 342 ? ? 2.07 30 1 O B HOH 302 ? ? O B HOH 456 ? ? 2.07 31 1 O I HOH 267 ? ? O I HOH 365 ? ? 2.08 32 1 O M HOH 507 ? ? O M HOH 522 ? ? 2.09 33 1 O M HOH 428 ? ? O M HOH 543 ? ? 2.09 34 1 O I HOH 339 ? ? O I HOH 361 ? ? 2.09 35 1 O B HOH 427 ? ? O B HOH 506 ? ? 2.10 36 1 O I HOH 235 ? ? O M HOH 559 ? ? 2.11 37 1 O Z HOH 128 ? ? O Z HOH 186 ? ? 2.12 38 1 O I HOH 346 ? ? O I HOH 363 ? ? 2.13 39 1 O X HOH 240 ? ? O M HOH 516 ? ? 2.14 40 1 O M HOH 401 ? ? O M HOH 541 ? ? 2.14 41 1 O I HOH 221 ? ? O I HOH 272 ? ? 2.15 42 1 O B HOH 461 ? ? O B HOH 492 ? ? 2.16 43 1 O M HOH 550 ? ? O M HOH 584 ? ? 2.18 44 1 O X HOH 270 ? ? O M HOH 404 ? ? 2.19 45 1 O X HOH 276 ? ? O X HOH 294 ? ? 2.19 46 1 O I HOH 287 ? ? O I HOH 324 ? ? 2.19 # loop_ _pdbx_validate_symm_contact.id _pdbx_validate_symm_contact.PDB_model_num _pdbx_validate_symm_contact.auth_atom_id_1 _pdbx_validate_symm_contact.auth_asym_id_1 _pdbx_validate_symm_contact.auth_comp_id_1 _pdbx_validate_symm_contact.auth_seq_id_1 _pdbx_validate_symm_contact.PDB_ins_code_1 _pdbx_validate_symm_contact.label_alt_id_1 _pdbx_validate_symm_contact.site_symmetry_1 _pdbx_validate_symm_contact.auth_atom_id_2 _pdbx_validate_symm_contact.auth_asym_id_2 _pdbx_validate_symm_contact.auth_comp_id_2 _pdbx_validate_symm_contact.auth_seq_id_2 _pdbx_validate_symm_contact.PDB_ins_code_2 _pdbx_validate_symm_contact.label_alt_id_2 _pdbx_validate_symm_contact.site_symmetry_2 _pdbx_validate_symm_contact.dist 1 1 O C HOH 505 ? ? 1_555 O X HOH 203 ? ? 3_545 1.90 2 1 O Z HOH 189 ? ? 1_555 O B HOH 397 ? ? 3_555 1.94 3 1 O Z HOH 192 ? ? 1_555 O B HOH 440 ? ? 2_445 1.95 4 1 O I HOH 259 ? ? 1_555 O B HOH 468 ? ? 2_445 1.97 5 1 O Z HOH 160 ? ? 1_555 O B HOH 479 ? ? 3_555 1.98 6 1 O I HOH 330 ? ? 1_555 O B HOH 337 ? ? 2_445 2.04 7 1 O X HOH 285 ? ? 1_555 O Z HOH 191 ? ? 2_444 2.14 # 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 ASP C 198 ? ? 76.59 -46.10 2 1 ASN C 199 ? ? -150.01 12.88 3 1 ALA C 233 ? ? 178.28 172.28 4 1 SER C 239 ? ? -145.30 -159.49 5 1 ASN X 66 ? ? -117.66 59.72 6 1 ASN Z 66 ? ? -119.18 59.98 7 1 THR I 28 ? ? -75.37 -168.69 8 1 SER I 30 ? ? 48.12 -128.58 9 1 SER I 77 ? ? 37.46 53.63 10 1 ASP M 198 ? ? 78.30 -47.29 11 1 ASN M 199 ? ? -147.45 12.97 12 1 ALA M 233 ? ? 177.10 178.02 13 1 SER B 30 ? A 51.10 -137.01 14 1 SER B 30 ? B 47.31 -137.70 15 1 SER B 105 ? ? -170.15 148.83 # _pdbx_validate_planes.id 1 _pdbx_validate_planes.PDB_model_num 1 _pdbx_validate_planes.auth_comp_id ARG _pdbx_validate_planes.auth_asym_id X _pdbx_validate_planes.auth_seq_id 25 _pdbx_validate_planes.PDB_ins_code ? _pdbx_validate_planes.label_alt_id ? _pdbx_validate_planes.rmsd 0.079 _pdbx_validate_planes.type 'SIDE CHAIN' # loop_ _space_group_symop.id _space_group_symop.operation_xyz 1 x,y,z 2 x+1/2,-y+1/2,-z 3 -x,y+1/2,-z+1/2 4 -x+1/2,-y,z+1/2 # loop_ _pdbx_distant_solvent_atoms.id _pdbx_distant_solvent_atoms.PDB_model_num _pdbx_distant_solvent_atoms.auth_atom_id _pdbx_distant_solvent_atoms.label_alt_id _pdbx_distant_solvent_atoms.auth_asym_id _pdbx_distant_solvent_atoms.auth_comp_id _pdbx_distant_solvent_atoms.auth_seq_id _pdbx_distant_solvent_atoms.PDB_ins_code _pdbx_distant_solvent_atoms.neighbor_macromolecule_distance _pdbx_distant_solvent_atoms.neighbor_ligand_distance 1 1 O ? C HOH 557 ? 5.81 . 2 1 O ? I HOH 378 ? 5.97 . 3 1 O ? I HOH 379 ? 6.15 . 4 1 O ? B HOH 521 ? 6.00 . # 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 C GLY 144 ? A GLY 1 2 1 Y 1 C GLN 264 ? A GLN 121 3 1 Y 1 X MET -20 ? B MET 1 4 1 Y 1 X LYS -19 ? B LYS 2 5 1 Y 1 X THR -18 ? B THR 3 6 1 Y 1 X LEU -17 ? B LEU 4 7 1 Y 1 X LEU -16 ? B LEU 5 8 1 Y 1 X LEU -15 ? B LEU 6 9 1 Y 1 X THR -14 ? B THR 7 10 1 Y 1 X LEU -13 ? B LEU 8 11 1 Y 1 X VAL -12 ? B VAL 9 12 1 Y 1 X VAL -11 ? B VAL 10 13 1 Y 1 X VAL -10 ? B VAL 11 14 1 Y 1 X THR -9 ? B THR 12 15 1 Y 1 X ILE -8 ? B ILE 13 16 1 Y 1 X VAL -7 ? B VAL 14 17 1 Y 1 X CYS -6 ? B CYS 15 18 1 Y 1 X LEU -5 ? B LEU 16 19 1 Y 1 X ASP -4 ? B ASP 17 20 1 Y 1 X LEU -3 ? B LEU 18 21 1 Y 1 X GLY -2 ? B GLY 19 22 1 Y 1 X TYR -1 ? B TYR 20 23 1 Y 1 X THR 0 ? B THR 21 24 1 Y 1 X GLY 74 ? B GLY 95 25 1 Y 1 Z MET -20 ? C MET 1 26 1 Y 1 Z LYS -19 ? C LYS 2 27 1 Y 1 Z THR -18 ? C THR 3 28 1 Y 1 Z LEU -17 ? C LEU 4 29 1 Y 1 Z LEU -16 ? C LEU 5 30 1 Y 1 Z LEU -15 ? C LEU 6 31 1 Y 1 Z THR -14 ? C THR 7 32 1 Y 1 Z LEU -13 ? C LEU 8 33 1 Y 1 Z VAL -12 ? C VAL 9 34 1 Y 1 Z VAL -11 ? C VAL 10 35 1 Y 1 Z VAL -10 ? C VAL 11 36 1 Y 1 Z THR -9 ? C THR 12 37 1 Y 1 Z ILE -8 ? C ILE 13 38 1 Y 1 Z VAL -7 ? C VAL 14 39 1 Y 1 Z CYS -6 ? C CYS 15 40 1 Y 1 Z LEU -5 ? C LEU 16 41 1 Y 1 Z ASP -4 ? C ASP 17 42 1 Y 1 Z LEU -3 ? C LEU 18 43 1 Y 1 Z GLY -2 ? C GLY 19 44 1 Y 1 Z TYR -1 ? C TYR 20 45 1 Y 1 Z THR 0 ? C THR 21 46 1 Y 1 I ALA 0 ? D ALA 1 47 1 Y 1 I GLY 134 ? D GLY 135 48 1 Y 1 I GLY 135 ? D GLY 136 49 1 Y 1 I SER 136 ? D SER 137 50 1 Y 1 I GLY 137 ? D GLY 138 51 1 Y 1 I GLY 138 ? D GLY 139 52 1 Y 1 I GLY 139 ? D GLY 140 53 1 Y 1 I GLY 140 ? D GLY 141 54 1 Y 1 I SER 141 ? D SER 142 55 1 Y 1 I GLY 142 ? D GLY 143 56 1 Y 1 I GLY 143 ? D GLY 144 57 1 Y 1 M GLY 144 ? E GLY 1 58 1 Y 1 B ALA 0 ? F ALA 1 59 1 Y 1 B GLY 134 ? F GLY 135 60 1 Y 1 B GLY 135 ? F GLY 136 61 1 Y 1 B SER 136 ? F SER 137 62 1 Y 1 B GLY 137 ? F GLY 138 63 1 Y 1 B GLY 138 ? F GLY 139 64 1 Y 1 B GLY 139 ? F GLY 140 65 1 Y 1 B GLY 140 ? F GLY 141 66 1 Y 1 B SER 141 ? F SER 142 67 1 Y 1 B GLY 142 ? F GLY 143 68 1 Y 1 B GLY 143 ? F GLY 144 # loop_ _chem_comp_atom.comp_id _chem_comp_atom.atom_id _chem_comp_atom.type_symbol _chem_comp_atom.pdbx_aromatic_flag _chem_comp_atom.pdbx_stereo_config _chem_comp_atom.pdbx_ordinal ALA N N N N 1 ALA CA C N S 2 ALA C C N N 3 ALA O O N N 4 ALA CB C N N 5 ALA OXT O N N 6 ALA H H N N 7 ALA H2 H N N 8 ALA HA H N N 9 ALA HB1 H N N 10 ALA HB2 H N N 11 ALA HB3 H N N 12 ALA HXT H N N 13 ARG N N N N 14 ARG CA C N S 15 ARG C C N N 16 ARG O O N N 17 ARG CB C N N 18 ARG CG C N N 19 ARG CD C N N 20 ARG NE N N N 21 ARG CZ C N N 22 ARG NH1 N N N 23 ARG NH2 N N N 24 ARG OXT O N N 25 ARG H H N N 26 ARG H2 H N N 27 ARG HA H N N 28 ARG HB2 H N N 29 ARG HB3 H N N 30 ARG HG2 H N N 31 ARG HG3 H N N 32 ARG HD2 H N N 33 ARG HD3 H N N 34 ARG HE H N N 35 ARG HH11 H N N 36 ARG HH12 H N N 37 ARG HH21 H N N 38 ARG HH22 H N N 39 ARG HXT H N N 40 ASN N N N N 41 ASN CA C N S 42 ASN C C N N 43 ASN O O N N 44 ASN CB C N N 45 ASN CG C N N 46 ASN OD1 O N N 47 ASN ND2 N N N 48 ASN OXT O N N 49 ASN H H N N 50 ASN H2 H N N 51 ASN HA H N N 52 ASN HB2 H N N 53 ASN HB3 H N N 54 ASN HD21 H N N 55 ASN HD22 H N N 56 ASN HXT H N N 57 ASP N N N N 58 ASP CA C N S 59 ASP C C N N 60 ASP O O N N 61 ASP CB C N N 62 ASP CG C N N 63 ASP OD1 O N N 64 ASP OD2 O N N 65 ASP OXT O N N 66 ASP H H N N 67 ASP H2 H N N 68 ASP HA H N N 69 ASP HB2 H N N 70 ASP HB3 H N N 71 ASP HD2 H N N 72 ASP HXT H N N 73 CYS N N N N 74 CYS CA C N R 75 CYS C C N N 76 CYS O O N N 77 CYS CB C N N 78 CYS SG S N N 79 CYS OXT O N N 80 CYS H H N N 81 CYS H2 H N N 82 CYS HA H N N 83 CYS HB2 H N N 84 CYS HB3 H N N 85 CYS HG H N N 86 CYS HXT H N N 87 EDO C1 C N N 88 EDO O1 O N N 89 EDO C2 C N N 90 EDO O2 O N N 91 EDO H11 H N N 92 EDO H12 H N N 93 EDO HO1 H N N 94 EDO H21 H N N 95 EDO H22 H N N 96 EDO HO2 H N N 97 GLN N N N N 98 GLN CA C N S 99 GLN C C N N 100 GLN O O N N 101 GLN CB C N N 102 GLN CG C N N 103 GLN CD C N N 104 GLN OE1 O N N 105 GLN NE2 N N N 106 GLN OXT O N N 107 GLN H H N N 108 GLN H2 H N N 109 GLN HA H N N 110 GLN HB2 H N N 111 GLN HB3 H N N 112 GLN HG2 H N N 113 GLN HG3 H N N 114 GLN HE21 H N N 115 GLN HE22 H N N 116 GLN HXT H N N 117 GLU N N N N 118 GLU CA C N S 119 GLU C C N N 120 GLU O O N N 121 GLU CB C N N 122 GLU CG C N N 123 GLU CD C N N 124 GLU OE1 O N N 125 GLU OE2 O N N 126 GLU OXT O N N 127 GLU H H N N 128 GLU H2 H N N 129 GLU HA H N N 130 GLU HB2 H N N 131 GLU HB3 H N N 132 GLU HG2 H N N 133 GLU HG3 H N N 134 GLU HE2 H N N 135 GLU HXT H N N 136 GLY N N N N 137 GLY CA C N N 138 GLY C C N N 139 GLY O O N N 140 GLY OXT O N N 141 GLY H H N N 142 GLY H2 H N N 143 GLY HA2 H N N 144 GLY HA3 H N N 145 GLY HXT H N N 146 HIS N N N N 147 HIS CA C N S 148 HIS C C N N 149 HIS O O N N 150 HIS CB C N N 151 HIS CG C Y N 152 HIS ND1 N Y N 153 HIS CD2 C Y N 154 HIS CE1 C Y N 155 HIS NE2 N Y N 156 HIS OXT O N N 157 HIS H H N N 158 HIS H2 H N N 159 HIS HA H N N 160 HIS HB2 H N N 161 HIS HB3 H N N 162 HIS HD1 H N N 163 HIS HD2 H N N 164 HIS HE1 H N N 165 HIS HE2 H N N 166 HIS HXT H N N 167 HOH O O N N 168 HOH H1 H N N 169 HOH H2 H N N 170 ILE N N N N 171 ILE CA C N S 172 ILE C C N N 173 ILE O O N N 174 ILE CB C N S 175 ILE CG1 C N N 176 ILE CG2 C N N 177 ILE CD1 C N N 178 ILE OXT O N N 179 ILE H H N N 180 ILE H2 H N N 181 ILE HA H N N 182 ILE HB H N N 183 ILE HG12 H N N 184 ILE HG13 H N N 185 ILE HG21 H N N 186 ILE HG22 H N N 187 ILE HG23 H N N 188 ILE HD11 H N N 189 ILE HD12 H N N 190 ILE HD13 H N N 191 ILE HXT H N N 192 LEU N N N N 193 LEU CA C N S 194 LEU C C N N 195 LEU O O N N 196 LEU CB C N N 197 LEU CG C N N 198 LEU CD1 C N N 199 LEU CD2 C N N 200 LEU OXT O N N 201 LEU H H N N 202 LEU H2 H N N 203 LEU HA H N N 204 LEU HB2 H N N 205 LEU HB3 H N N 206 LEU HG H N N 207 LEU HD11 H N N 208 LEU HD12 H N N 209 LEU HD13 H N N 210 LEU HD21 H N N 211 LEU HD22 H N N 212 LEU HD23 H N N 213 LEU HXT H N N 214 LYS N N N N 215 LYS CA C N S 216 LYS C C N N 217 LYS O O N N 218 LYS CB C N N 219 LYS CG C N N 220 LYS CD C N N 221 LYS CE C N N 222 LYS NZ N N N 223 LYS OXT O N N 224 LYS H H N N 225 LYS H2 H N N 226 LYS HA H N N 227 LYS HB2 H N N 228 LYS HB3 H N N 229 LYS HG2 H N N 230 LYS HG3 H N N 231 LYS HD2 H N N 232 LYS HD3 H N N 233 LYS HE2 H N N 234 LYS HE3 H N N 235 LYS HZ1 H N N 236 LYS HZ2 H N N 237 LYS HZ3 H N N 238 LYS HXT H N N 239 MET N N N N 240 MET CA C N S 241 MET C C N N 242 MET O O N N 243 MET CB C N N 244 MET CG C N N 245 MET SD S N N 246 MET CE C N N 247 MET OXT O N N 248 MET H H N N 249 MET H2 H N N 250 MET HA H N N 251 MET HB2 H N N 252 MET HB3 H N N 253 MET HG2 H N N 254 MET HG3 H N N 255 MET HE1 H N N 256 MET HE2 H N N 257 MET HE3 H N N 258 MET HXT H N N 259 PHE N N N N 260 PHE CA C N S 261 PHE C C N N 262 PHE O O N N 263 PHE CB C N N 264 PHE CG C Y N 265 PHE CD1 C Y N 266 PHE CD2 C Y N 267 PHE CE1 C Y N 268 PHE CE2 C Y N 269 PHE CZ C Y N 270 PHE OXT O N N 271 PHE H H N N 272 PHE H2 H N N 273 PHE HA H N N 274 PHE HB2 H N N 275 PHE HB3 H N N 276 PHE HD1 H N N 277 PHE HD2 H N N 278 PHE HE1 H N N 279 PHE HE2 H N N 280 PHE HZ H N N 281 PHE HXT H N N 282 PRO N N N N 283 PRO CA C N S 284 PRO C C N N 285 PRO O O N N 286 PRO CB C N N 287 PRO CG C N N 288 PRO CD C N N 289 PRO OXT O N N 290 PRO H H N N 291 PRO HA H N N 292 PRO HB2 H N N 293 PRO HB3 H N N 294 PRO HG2 H N N 295 PRO HG3 H N N 296 PRO HD2 H N N 297 PRO HD3 H N N 298 PRO HXT H N N 299 SER N N N N 300 SER CA C N S 301 SER C C N N 302 SER O O N N 303 SER CB C N N 304 SER OG O N N 305 SER OXT O N N 306 SER H H N N 307 SER H2 H N N 308 SER HA H N N 309 SER HB2 H N N 310 SER HB3 H N N 311 SER HG H N N 312 SER HXT H N N 313 THR N N N N 314 THR CA C N S 315 THR C C N N 316 THR O O N N 317 THR CB C N R 318 THR OG1 O N N 319 THR CG2 C N N 320 THR OXT O N N 321 THR H H N N 322 THR H2 H N N 323 THR HA H N N 324 THR HB H N N 325 THR HG1 H N N 326 THR HG21 H N N 327 THR HG22 H N N 328 THR HG23 H N N 329 THR HXT H N N 330 TRP N N N N 331 TRP CA C N S 332 TRP C C N N 333 TRP O O N N 334 TRP CB C N N 335 TRP CG C Y N 336 TRP CD1 C Y N 337 TRP CD2 C Y N 338 TRP NE1 N Y N 339 TRP CE2 C Y N 340 TRP CE3 C Y N 341 TRP CZ2 C Y N 342 TRP CZ3 C Y N 343 TRP CH2 C Y N 344 TRP OXT O N N 345 TRP H H N N 346 TRP H2 H N N 347 TRP HA H N N 348 TRP HB2 H N N 349 TRP HB3 H N N 350 TRP HD1 H N N 351 TRP HE1 H N N 352 TRP HE3 H N N 353 TRP HZ2 H N N 354 TRP HZ3 H N N 355 TRP HH2 H N N 356 TRP HXT H N N 357 TYR N N N N 358 TYR CA C N S 359 TYR C C N N 360 TYR O O N N 361 TYR CB C N N 362 TYR CG C Y N 363 TYR CD1 C Y N 364 TYR CD2 C Y N 365 TYR CE1 C Y N 366 TYR CE2 C Y N 367 TYR CZ C Y N 368 TYR OH O N N 369 TYR OXT O N N 370 TYR H H N N 371 TYR H2 H N N 372 TYR HA H N N 373 TYR HB2 H N N 374 TYR HB3 H N N 375 TYR HD1 H N N 376 TYR HD2 H N N 377 TYR HE1 H N N 378 TYR HE2 H N N 379 TYR HH H N N 380 TYR HXT H N N 381 VAL N N N N 382 VAL CA C N S 383 VAL C C N N 384 VAL O O N N 385 VAL CB C N N 386 VAL CG1 C N N 387 VAL CG2 C N N 388 VAL OXT O N N 389 VAL H H N N 390 VAL H2 H N N 391 VAL HA H N N 392 VAL HB H N N 393 VAL HG11 H N N 394 VAL HG12 H N N 395 VAL HG13 H N N 396 VAL HG21 H N N 397 VAL HG22 H N N 398 VAL HG23 H N N 399 VAL HXT H N N 400 # loop_ _chem_comp_bond.comp_id _chem_comp_bond.atom_id_1 _chem_comp_bond.atom_id_2 _chem_comp_bond.value_order _chem_comp_bond.pdbx_aromatic_flag _chem_comp_bond.pdbx_stereo_config _chem_comp_bond.pdbx_ordinal ALA N CA sing N N 1 ALA N H sing N N 2 ALA N H2 sing N N 3 ALA CA C sing N N 4 ALA CA CB sing N N 5 ALA CA HA sing N N 6 ALA C O doub N N 7 ALA C OXT sing N N 8 ALA CB HB1 sing N N 9 ALA CB HB2 sing N N 10 ALA CB HB3 sing N N 11 ALA OXT HXT sing N N 12 ARG N CA sing N N 13 ARG N H sing N N 14 ARG N H2 sing N N 15 ARG CA C sing N N 16 ARG CA CB sing N N 17 ARG CA HA sing N N 18 ARG C O doub N N 19 ARG C OXT sing N N 20 ARG CB CG sing N N 21 ARG CB HB2 sing N N 22 ARG CB HB3 sing N N 23 ARG CG CD sing N N 24 ARG CG HG2 sing N N 25 ARG CG HG3 sing N N 26 ARG CD NE sing N N 27 ARG CD HD2 sing N N 28 ARG CD HD3 sing N N 29 ARG NE CZ sing N N 30 ARG NE HE sing N N 31 ARG CZ NH1 sing N N 32 ARG CZ NH2 doub N N 33 ARG NH1 HH11 sing N N 34 ARG NH1 HH12 sing N N 35 ARG NH2 HH21 sing N N 36 ARG NH2 HH22 sing N N 37 ARG OXT HXT sing N N 38 ASN N CA sing N N 39 ASN N H sing N N 40 ASN N H2 sing N N 41 ASN CA C sing N N 42 ASN CA CB sing N N 43 ASN CA HA sing N N 44 ASN C O doub N N 45 ASN C OXT sing N N 46 ASN CB CG sing N N 47 ASN CB HB2 sing N N 48 ASN CB HB3 sing N N 49 ASN CG OD1 doub N N 50 ASN CG ND2 sing N N 51 ASN ND2 HD21 sing N N 52 ASN ND2 HD22 sing N N 53 ASN OXT HXT sing N N 54 ASP N CA sing N N 55 ASP N H sing N N 56 ASP N H2 sing N N 57 ASP CA C sing N N 58 ASP CA CB sing N N 59 ASP CA HA sing N N 60 ASP C O doub N N 61 ASP C OXT sing N N 62 ASP CB CG sing N N 63 ASP CB HB2 sing N N 64 ASP CB HB3 sing N N 65 ASP CG OD1 doub N N 66 ASP CG OD2 sing N N 67 ASP OD2 HD2 sing N N 68 ASP OXT HXT sing N N 69 CYS N CA sing N N 70 CYS N H sing N N 71 CYS N H2 sing N N 72 CYS CA C sing N N 73 CYS CA CB sing N N 74 CYS CA HA sing N N 75 CYS C O doub N N 76 CYS C OXT sing N N 77 CYS CB SG sing N N 78 CYS CB HB2 sing N N 79 CYS CB HB3 sing N N 80 CYS SG HG sing N N 81 CYS OXT HXT sing N N 82 EDO C1 O1 sing N N 83 EDO C1 C2 sing N N 84 EDO C1 H11 sing N N 85 EDO C1 H12 sing N N 86 EDO O1 HO1 sing N N 87 EDO C2 O2 sing N N 88 EDO C2 H21 sing N N 89 EDO C2 H22 sing N N 90 EDO O2 HO2 sing N N 91 GLN N CA sing N N 92 GLN N H sing N N 93 GLN N H2 sing N N 94 GLN CA C sing N N 95 GLN CA CB sing N N 96 GLN CA HA sing N N 97 GLN C O doub N N 98 GLN C OXT sing N N 99 GLN CB CG sing N N 100 GLN CB HB2 sing N N 101 GLN CB HB3 sing N N 102 GLN CG CD sing N N 103 GLN CG HG2 sing N N 104 GLN CG HG3 sing N N 105 GLN CD OE1 doub N N 106 GLN CD NE2 sing N N 107 GLN NE2 HE21 sing N N 108 GLN NE2 HE22 sing N N 109 GLN OXT HXT sing N N 110 GLU N CA sing N N 111 GLU N H sing N N 112 GLU N H2 sing N N 113 GLU CA C sing N N 114 GLU CA CB sing N N 115 GLU CA HA sing N N 116 GLU C O doub N N 117 GLU C OXT sing N N 118 GLU CB CG sing N N 119 GLU CB HB2 sing N N 120 GLU CB HB3 sing N N 121 GLU CG CD sing N N 122 GLU CG HG2 sing N N 123 GLU CG HG3 sing N N 124 GLU CD OE1 doub N N 125 GLU CD OE2 sing N N 126 GLU OE2 HE2 sing N N 127 GLU OXT HXT sing N N 128 GLY N CA sing N N 129 GLY N H sing N N 130 GLY N H2 sing N N 131 GLY CA C sing N N 132 GLY CA HA2 sing N N 133 GLY CA HA3 sing N N 134 GLY C O doub N N 135 GLY C OXT sing N N 136 GLY OXT HXT sing N N 137 HIS N CA sing N N 138 HIS N H sing N N 139 HIS N H2 sing N N 140 HIS CA C sing N N 141 HIS CA CB sing N N 142 HIS CA HA sing N N 143 HIS C O doub N N 144 HIS C OXT sing N N 145 HIS CB CG sing N N 146 HIS CB HB2 sing N N 147 HIS CB HB3 sing N N 148 HIS CG ND1 sing Y N 149 HIS CG CD2 doub Y N 150 HIS ND1 CE1 doub Y N 151 HIS ND1 HD1 sing N N 152 HIS CD2 NE2 sing Y N 153 HIS CD2 HD2 sing N N 154 HIS CE1 NE2 sing Y N 155 HIS CE1 HE1 sing N N 156 HIS NE2 HE2 sing N N 157 HIS OXT HXT sing N N 158 HOH O H1 sing N N 159 HOH O H2 sing N N 160 ILE N CA sing N N 161 ILE N H sing N N 162 ILE N H2 sing N N 163 ILE CA C sing N N 164 ILE CA CB sing N N 165 ILE CA HA sing N N 166 ILE C O doub N N 167 ILE C OXT sing N N 168 ILE CB CG1 sing N N 169 ILE CB CG2 sing N N 170 ILE CB HB sing N N 171 ILE CG1 CD1 sing N N 172 ILE CG1 HG12 sing N N 173 ILE CG1 HG13 sing N N 174 ILE CG2 HG21 sing N N 175 ILE CG2 HG22 sing N N 176 ILE CG2 HG23 sing N N 177 ILE CD1 HD11 sing N N 178 ILE CD1 HD12 sing N N 179 ILE CD1 HD13 sing N N 180 ILE OXT HXT sing N N 181 LEU N CA sing N N 182 LEU N H sing N N 183 LEU N H2 sing N N 184 LEU CA C sing N N 185 LEU CA CB sing N N 186 LEU CA HA sing N N 187 LEU C O doub N N 188 LEU C OXT sing N N 189 LEU CB CG sing N N 190 LEU CB HB2 sing N N 191 LEU CB HB3 sing N N 192 LEU CG CD1 sing N N 193 LEU CG CD2 sing N N 194 LEU CG HG sing N N 195 LEU CD1 HD11 sing N N 196 LEU CD1 HD12 sing N N 197 LEU CD1 HD13 sing N N 198 LEU CD2 HD21 sing N N 199 LEU CD2 HD22 sing N N 200 LEU CD2 HD23 sing N N 201 LEU OXT HXT sing N N 202 LYS N CA sing N N 203 LYS N H sing N N 204 LYS N H2 sing N N 205 LYS CA C sing N N 206 LYS CA CB sing N N 207 LYS CA HA sing N N 208 LYS C O doub N N 209 LYS C OXT sing N N 210 LYS CB CG sing N N 211 LYS CB HB2 sing N N 212 LYS CB HB3 sing N N 213 LYS CG CD sing N N 214 LYS CG HG2 sing N N 215 LYS CG HG3 sing N N 216 LYS CD CE sing N N 217 LYS CD HD2 sing N N 218 LYS CD HD3 sing N N 219 LYS CE NZ sing N N 220 LYS CE HE2 sing N N 221 LYS CE HE3 sing N N 222 LYS NZ HZ1 sing N N 223 LYS NZ HZ2 sing N N 224 LYS NZ HZ3 sing N N 225 LYS OXT HXT sing N N 226 MET N CA sing N N 227 MET N H sing N N 228 MET N H2 sing N N 229 MET CA C sing N N 230 MET CA CB sing N N 231 MET CA HA sing N N 232 MET C O doub N N 233 MET C OXT sing N N 234 MET CB CG sing N N 235 MET CB HB2 sing N N 236 MET CB HB3 sing N N 237 MET CG SD sing N N 238 MET CG HG2 sing N N 239 MET CG HG3 sing N N 240 MET SD CE sing N N 241 MET CE HE1 sing N N 242 MET CE HE2 sing N N 243 MET CE HE3 sing N N 244 MET OXT HXT sing N N 245 PHE N CA sing N N 246 PHE N H sing N N 247 PHE N H2 sing N N 248 PHE CA C sing N N 249 PHE CA CB sing N N 250 PHE CA HA sing N N 251 PHE C O doub N N 252 PHE C OXT sing N N 253 PHE CB CG sing N N 254 PHE CB HB2 sing N N 255 PHE CB HB3 sing N N 256 PHE CG CD1 doub Y N 257 PHE CG CD2 sing Y N 258 PHE CD1 CE1 sing Y N 259 PHE CD1 HD1 sing N N 260 PHE CD2 CE2 doub Y N 261 PHE CD2 HD2 sing N N 262 PHE CE1 CZ doub Y N 263 PHE CE1 HE1 sing N N 264 PHE CE2 CZ sing Y N 265 PHE CE2 HE2 sing N N 266 PHE CZ HZ sing N N 267 PHE OXT HXT sing N N 268 PRO N CA sing N N 269 PRO N CD sing N N 270 PRO N H sing N N 271 PRO CA C sing N N 272 PRO CA CB sing N N 273 PRO CA HA sing N N 274 PRO C O doub N N 275 PRO C OXT sing N N 276 PRO CB CG sing N N 277 PRO CB HB2 sing N N 278 PRO CB HB3 sing N N 279 PRO CG CD sing N N 280 PRO CG HG2 sing N N 281 PRO CG HG3 sing N N 282 PRO CD HD2 sing N N 283 PRO CD HD3 sing N N 284 PRO OXT HXT sing N N 285 SER N CA sing N N 286 SER N H sing N N 287 SER N H2 sing N N 288 SER CA C sing N N 289 SER CA CB sing N N 290 SER CA HA sing N N 291 SER C O doub N N 292 SER C OXT sing N N 293 SER CB OG sing N N 294 SER CB HB2 sing N N 295 SER CB HB3 sing N N 296 SER OG HG sing N N 297 SER OXT HXT sing N N 298 THR N CA sing N N 299 THR N H sing N N 300 THR N H2 sing N N 301 THR CA C sing N N 302 THR CA CB sing N N 303 THR CA HA sing N N 304 THR C O doub N N 305 THR C OXT sing N N 306 THR CB OG1 sing N N 307 THR CB CG2 sing N N 308 THR CB HB sing N N 309 THR OG1 HG1 sing N N 310 THR CG2 HG21 sing N N 311 THR CG2 HG22 sing N N 312 THR CG2 HG23 sing N N 313 THR OXT HXT sing N N 314 TRP N CA sing N N 315 TRP N H sing N N 316 TRP N H2 sing N N 317 TRP CA C sing N N 318 TRP CA CB sing N N 319 TRP CA HA sing N N 320 TRP C O doub N N 321 TRP C OXT sing N N 322 TRP CB CG sing N N 323 TRP CB HB2 sing N N 324 TRP CB HB3 sing N N 325 TRP CG CD1 doub Y N 326 TRP CG CD2 sing Y N 327 TRP CD1 NE1 sing Y N 328 TRP CD1 HD1 sing N N 329 TRP CD2 CE2 doub Y N 330 TRP CD2 CE3 sing Y N 331 TRP NE1 CE2 sing Y N 332 TRP NE1 HE1 sing N N 333 TRP CE2 CZ2 sing Y N 334 TRP CE3 CZ3 doub Y N 335 TRP CE3 HE3 sing N N 336 TRP CZ2 CH2 doub Y N 337 TRP CZ2 HZ2 sing N N 338 TRP CZ3 CH2 sing Y N 339 TRP CZ3 HZ3 sing N N 340 TRP CH2 HH2 sing N N 341 TRP OXT HXT sing N N 342 TYR N CA sing N N 343 TYR N H sing N N 344 TYR N H2 sing N N 345 TYR CA C sing N N 346 TYR CA CB sing N N 347 TYR CA HA sing N N 348 TYR C O doub N N 349 TYR C OXT sing N N 350 TYR CB CG sing N N 351 TYR CB HB2 sing N N 352 TYR CB HB3 sing N N 353 TYR CG CD1 doub Y N 354 TYR CG CD2 sing Y N 355 TYR CD1 CE1 sing Y N 356 TYR CD1 HD1 sing N N 357 TYR CD2 CE2 doub Y N 358 TYR CD2 HD2 sing N N 359 TYR CE1 CZ doub Y N 360 TYR CE1 HE1 sing N N 361 TYR CE2 CZ sing Y N 362 TYR CE2 HE2 sing N N 363 TYR CZ OH sing N N 364 TYR OH HH sing N N 365 TYR OXT HXT sing N N 366 VAL N CA sing N N 367 VAL N H sing N N 368 VAL N H2 sing N N 369 VAL CA C sing N N 370 VAL CA CB sing N N 371 VAL CA HA sing N N 372 VAL C O doub N N 373 VAL C OXT sing N N 374 VAL CB CG1 sing N N 375 VAL CB CG2 sing N N 376 VAL CB HB sing N N 377 VAL CG1 HG11 sing N N 378 VAL CG1 HG12 sing N N 379 VAL CG1 HG13 sing N N 380 VAL CG2 HG21 sing N N 381 VAL CG2 HG22 sing N N 382 VAL CG2 HG23 sing N N 383 VAL OXT HXT sing N N 384 # _pdbx_audit_support.funding_organization 'Novo Nordisk Foundation' _pdbx_audit_support.country Denmark _pdbx_audit_support.grant_number NNF20SA0066621 _pdbx_audit_support.ordinal 1 # _pdbx_initial_refinement_model.id 1 _pdbx_initial_refinement_model.entity_id_list ? _pdbx_initial_refinement_model.type 'in silico model' _pdbx_initial_refinement_model.source_name AlphaFold _pdbx_initial_refinement_model.accession_code ? _pdbx_initial_refinement_model.details ? # _space_group.name_H-M_alt 'P 21 21 21' _space_group.name_Hall 'P 2ac 2ab' _space_group.IT_number 19 _space_group.crystal_system orthorhombic _space_group.id 1 # _atom_sites.entry_id 9HUB _atom_sites.Cartn_transf_matrix[1][1] ? _atom_sites.Cartn_transf_matrix[1][2] ? _atom_sites.Cartn_transf_matrix[1][3] ? _atom_sites.Cartn_transf_matrix[2][1] ? _atom_sites.Cartn_transf_matrix[2][2] ? _atom_sites.Cartn_transf_matrix[2][3] ? _atom_sites.Cartn_transf_matrix[3][1] ? _atom_sites.Cartn_transf_matrix[3][2] ? _atom_sites.Cartn_transf_matrix[3][3] ? _atom_sites.Cartn_transf_vector[1] ? _atom_sites.Cartn_transf_vector[2] ? _atom_sites.Cartn_transf_vector[3] ? _atom_sites.Cartn_transform_axes ? _atom_sites.fract_transf_matrix[1][1] 0.012650 _atom_sites.fract_transf_matrix[1][2] 0.000000 _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] 0.011801 _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] 0.009725 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 _atom_sites.solution_primary ? _atom_sites.solution_secondary ? _atom_sites.solution_hydrogens ? _atom_sites.special_details ? # loop_ _atom_type.symbol _atom_type.scat_dispersion_real _atom_type.scat_dispersion_imag _atom_type.scat_Cromer_Mann_a1 _atom_type.scat_Cromer_Mann_a2 _atom_type.scat_Cromer_Mann_a3 _atom_type.scat_Cromer_Mann_a4 _atom_type.scat_Cromer_Mann_b1 _atom_type.scat_Cromer_Mann_b2 _atom_type.scat_Cromer_Mann_b3 _atom_type.scat_Cromer_Mann_b4 _atom_type.scat_Cromer_Mann_c _atom_type.scat_source _atom_type.scat_dispersion_source C ? ? 3.54356 2.42580 ? ? 25.62398 1.50364 ? ? 0.0 ;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31. ; ? H ? ? 0.51345 0.48472 ? ? 24.73122 6.32584 ? ? 0.0 ;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31. ; ? N ? ? 4.01032 2.96436 ? ? 19.97189 1.75589 ? ? 0.0 ;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31. ; ? O ? ? 4.49882 3.47563 ? ? 15.80542 1.70748 ? ? 0.0 ;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31. ; ? O1- ? ? 5.12366 3.84317 ? ? 3.49406 27.47979 ? ? 0.0 ;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31. ; ? S ? ? 9.55732 6.39887 ? ? 1.23737 29.19336 ? ? 0.0 ;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31. ; ? # 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 2 ? 10.68868 -29.02607 19.10560 1.000 68.06246 ? 145 ALA C N 1 ATOM 2 C CA . ALA A 1 2 ? 10.54494 -29.97312 18.00724 1.000 65.12943 ? 145 ALA C CA 1 ATOM 3 C C . ALA A 1 2 ? 10.69756 -31.41507 18.50177 1.000 56.76134 ? 145 ALA C C 1 ATOM 4 O O . ALA A 1 2 ? 10.13719 -32.33850 17.91987 1.000 55.19405 ? 145 ALA C O 1 ATOM 5 C CB . ALA A 1 2 ? 11.55440 -29.66557 16.91460 1.000 69.08751 ? 145 ALA C CB 1 ATOM 6 H HA . ALA A 1 2 ? 9.65755 -29.88618 17.62530 1.000 78.15208 ? 145 ALA C HA 1 ATOM 7 H HB1 . ALA A 1 2 ? 11.42891 -30.29075 16.18365 1.000 82.90178 ? 145 ALA C HB1 1 ATOM 8 H HB2 . ALA A 1 2 ? 11.41433 -28.75822 16.60155 1.000 82.90178 ? 145 ALA C HB2 1 ATOM 9 H HB3 . ALA A 1 2 ? 12.44956 -29.75591 17.27714 1.000 82.90178 ? 145 ALA C HB3 1 ATOM 10 N N . SER A 1 3 ? 11.44485 -31.59908 19.58799 1.000 52.60744 ? 146 SER C N 1 ATOM 11 C CA . SER A 1 3 ? 11.63992 -32.93205 20.15039 1.000 45.22948 ? 146 SER C CA 1 ATOM 12 C C . SER A 1 3 ? 10.38135 -33.39261 20.88114 1.000 36.28676 ? 146 SER C C 1 ATOM 13 O O . SER A 1 3 ? 9.71405 -32.60291 21.55553 1.000 34.18428 ? 146 SER C O 1 ATOM 14 C CB . SER A 1 3 ? 12.81786 -32.89460 21.13173 1.000 47.76767 ? 146 SER C CB 1 ATOM 15 O OG . SER A 1 3 ? 13.16145 -34.17559 21.61434 1.000 52.03221 ? 146 SER C OG 1 ATOM 16 H H . SER A 1 3 ? 11.84795 -30.97160 20.01622 1.000 63.12570 ? 146 SER C H 1 ATOM 17 H HA . SER A 1 3 ? 11.83051 -33.56699 19.44228 1.000 54.27215 ? 146 SER C HA 1 ATOM 18 H HB2 . SER A 1 3 ? 13.58766 -32.51949 20.67609 1.000 57.31797 ? 146 SER C HB2 1 ATOM 19 H HB3 . SER A 1 3 ? 12.57386 -32.33560 21.88597 1.000 57.31797 ? 146 SER C HB3 1 ATOM 20 H HG . SER A 1 3 ? 12.52142 -34.49897 22.05182 1.000 62.43542 ? 146 SER C HG 1 ATOM 21 N N . ASN A 1 4 ? 10.03982 -34.67329 20.73396 1.000 30.39684 ? 147 ASN C N 1 ATOM 22 C CA . ASN A 1 4 ? 8.96829 -35.21029 21.55730 1.000 27.99681 ? 147 ASN C CA 1 ATOM 23 C C . ASN A 1 4 ? 9.40035 -35.19012 23.02848 1.000 26.66681 ? 147 ASN C C 1 ATOM 24 O O . ASN A 1 4 ? 10.59463 -35.20519 23.34781 1.000 27.62501 ? 147 ASN C O 1 ATOM 25 C CB . ASN A 1 4 ? 8.67519 -36.67696 21.21832 1.000 25.69221 ? 147 ASN C CB 1 ATOM 26 C CG . ASN A 1 4 ? 8.09474 -36.87690 19.83105 1.000 25.64857 ? 147 ASN C CG 1 ATOM 27 O OD1 . ASN A 1 4 ? 7.44930 -35.98980 19.26642 1.000 27.40030 ? 147 ASN C OD1 1 ATOM 28 N ND2 . ASN A 1 4 ? 8.30159 -38.07074 19.29127 1.000 25.06196 ? 147 ASN C ND2 1 ATOM 29 H H . ASN A 1 4 ? 10.40152 -35.22733 20.18459 1.000 36.47298 ? 147 ASN C H 1 ATOM 30 H HA . ASN A 1 4 ? 8.17253 -34.67699 21.40478 1.000 33.59295 ? 147 ASN C HA 1 ATOM 31 H HB2 . ASN A 1 4 ? 9.50255 -37.18080 21.26855 1.000 30.82742 ? 147 ASN C HB2 1 ATOM 32 H HB3 . ASN A 1 4 ? 8.03577 -37.02431 21.85972 1.000 30.82742 ? 147 ASN C HB3 1 ATOM 33 H HD21 . ASN A 1 4 ? 7.99734 -38.24629 18.50628 1.000 30.07112 ? 147 ASN C HD21 1 ATOM 34 H HD22 . ASN A 1 4 ? 8.73997 -38.66922 19.72629 1.000 30.07112 ? 147 ASN C HD22 1 ATOM 35 N N . PHE A 1 5 ? 8.41951 -35.19505 23.93469 1.000 26.34288 ? 148 PHE C N 1 ATOM 36 C CA . PHE A 1 5 ? 8.73449 -35.49687 25.32915 1.000 24.72464 ? 148 PHE C CA 1 ATOM 37 C C . PHE A 1 5 ? 9.29012 -36.91974 25.42393 1.000 24.91809 ? 148 PHE C C 1 ATOM 38 O O . PHE A 1 5 ? 9.08295 -37.75965 24.54067 1.000 25.88823 ? 148 PHE C O 1 ATOM 39 C CB . PHE A 1 5 ? 7.53699 -35.25372 26.26051 1.000 24.78589 ? 148 PHE C CB 1 ATOM 40 C CG . PHE A 1 5 ? 6.35809 -36.15925 26.04130 1.000 22.95719 ? 148 PHE C CG 1 ATOM 41 C CD1 . PHE A 1 5 ? 6.38884 -37.48246 26.46304 1.000 23.82916 ? 148 PHE C CD1 1 ATOM 42 C CD2 . PHE A 1 5 ? 5.18808 -35.67810 25.47933 1.000 23.77791 ? 148 PHE C CD2 1 ATOM 43 C CE1 . PHE A 1 5 ? 5.30646 -38.31273 26.27820 1.000 24.37899 ? 148 PHE C CE1 1 ATOM 44 C CE2 . PHE A 1 5 ? 4.09431 -36.50475 25.30696 1.000 23.91477 ? 148 PHE C CE2 1 ATOM 45 C CZ . PHE A 1 5 ? 4.14889 -37.82023 25.69883 1.000 23.66079 ? 148 PHE C CZ 1 ATOM 46 H H . PHE A 1 5 ? 7.59101 -35.03205 23.77156 1.000 31.60822 ? 148 PHE C H 1 ATOM 47 H HA . PHE A 1 5 ? 9.41783 -34.89226 25.65840 1.000 29.66634 ? 148 PHE C HA 1 ATOM 48 H HB2 . PHE A 1 5 ? 7.83148 -35.37866 27.17625 1.000 29.73983 ? 148 PHE C HB2 1 ATOM 49 H HB3 . PHE A 1 5 ? 7.22982 -34.34263 26.13218 1.000 29.73983 ? 148 PHE C HB3 1 ATOM 50 H HD1 . PHE A 1 5 ? 7.15324 -37.81287 26.87707 1.000 28.59176 ? 148 PHE C HD1 1 ATOM 51 H HD2 . PHE A 1 5 ? 5.13757 -34.78798 25.21467 1.000 28.53026 ? 148 PHE C HD2 1 ATOM 52 H HE1 . PHE A 1 5 ? 5.35247 -39.20332 26.54207 1.000 29.25156 ? 148 PHE C HE1 1 ATOM 53 H HE2 . PHE A 1 5 ? 3.31666 -36.16855 24.92341 1.000 28.69449 ? 148 PHE C HE2 1 ATOM 54 H HZ . PHE A 1 5 ? 3.41362 -38.37627 25.57593 1.000 28.38972 ? 148 PHE C HZ 1 ATOM 55 N N . MET A 1 6 ? 10.04109 -37.17292 26.48443 1.000 25.30899 ? 149 MET C N 1 ATOM 56 C CA . MET A 1 6 ? 10.59979 -38.48716 26.75432 1.000 26.18086 ? 149 MET C CA 1 ATOM 57 C C . MET A 1 6 ? 9.77340 -39.17480 27.82855 1.000 24.27626 ? 149 MET C C 1 ATOM 58 O O . MET A 1 6 ? 9.22167 -38.52098 28.71235 1.000 24.26710 ? 149 MET C O 1 ATOM 59 C CB . MET A 1 6 ? 12.04440 -38.36236 27.26220 1.000 31.66288 ? 149 MET C CB 1 ATOM 60 C CG . MET A 1 6 ? 12.96088 -37.68917 26.28172 1.000 36.49373 ? 149 MET C CG 1 ATOM 61 S SD . MET A 1 6 ? 14.61114 -37.42965 26.95061 1.000 42.51573 ? 149 MET C SD 1 ATOM 62 C CE . MET A 1 6 ? 15.27464 -39.07820 26.96023 1.000 46.57640 ? 149 MET C CE 1 ATOM 63 H H . MET A 1 6 ? 10.24616 -36.58456 27.07720 1.000 30.36756 ? 149 MET C H 1 ATOM 64 H HA . MET A 1 6 ? 10.59491 -39.01091 25.93789 1.000 31.41380 ? 149 MET C HA 1 ATOM 65 H HB2 . MET A 1 6 ? 12.04573 -37.83960 28.07928 1.000 37.99223 ? 149 MET C HB2 1 ATOM 66 H HB3 . MET A 1 6 ? 12.39378 -39.25041 27.43595 1.000 37.99223 ? 149 MET C HB3 1 ATOM 67 H HG2 . MET A 1 6 ? 13.04052 -38.24346 25.48969 1.000 43.78924 ? 149 MET C HG2 1 ATOM 68 H HG3 . MET A 1 6 ? 12.59206 -36.82374 26.04527 1.000 43.78924 ? 149 MET C HG3 1 ATOM 69 H HE1 . MET A 1 6 ? 16.15867 -39.06049 27.35908 1.000 55.88845 ? 149 MET C HE1 1 ATOM 70 H HE2 . MET A 1 6 ? 14.68898 -39.65131 27.47930 1.000 55.88845 ? 149 MET C HE2 1 ATOM 71 H HE3 . MET A 1 6 ? 15.33001 -39.40166 26.04742 1.000 55.88845 ? 149 MET C HE3 1 ATOM 72 N N . LEU A 1 7 ? 9.66067 -40.48674 27.71338 1.000 22.98672 ? 150 LEU C N 1 ATOM 73 C CA . LEU A 1 7 ? 9.15920 -41.35407 28.77088 1.000 21.90114 ? 150 LEU C CA 1 ATOM 74 C C . LEU A 1 7 ? 10.34064 -42.19476 29.21475 1.000 22.73560 ? 150 LEU C C 1 ATOM 75 O O . LEU A 1 7 ? 10.87394 -42.98655 28.42639 1.000 22.36397 ? 150 LEU C O 1 ATOM 76 C CB . LEU A 1 7 ? 8.02190 -42.23119 28.26396 1.000 22.18591 ? 150 LEU C CB 1 ATOM 77 C CG . LEU A 1 7 ? 6.75826 -41.43560 27.85986 1.000 22.74059 ? 150 LEU C CG 1 ATOM 78 C CD1 . LEU A 1 7 ? 5.76385 -42.38960 27.26838 1.000 21.51550 ? 150 LEU C CD1 1 ATOM 79 C CD2 . LEU A 1 7 ? 6.17866 -40.73265 29.07122 1.000 24.39012 ? 150 LEU C CD2 1 ATOM 80 H H . LEU A 1 7 ? 9.87721 -40.91864 27.00193 1.000 27.58084 ? 150 LEU C H 1 ATOM 81 H HA . LEU A 1 7 ? 8.81966 -40.83311 29.51533 1.000 26.27814 ? 150 LEU C HA 1 ATOM 82 H HB2 . LEU A 1 7 ? 8.32846 -42.71886 27.48352 1.000 26.61986 ? 150 LEU C HB2 1 ATOM 83 H HB3 . LEU A 1 7 ? 7.77062 -42.85208 28.96557 1.000 26.61986 ? 150 LEU C HB3 1 ATOM 84 H HG . LEU A 1 7 ? 6.97475 -40.75566 27.20281 1.000 27.28548 ? 150 LEU C HG 1 ATOM 85 H HD11 . LEU A 1 7 ? 5.02204 -41.88454 26.90024 1.000 25.81537 ? 150 LEU C HD11 1 ATOM 86 H HD12 . LEU A 1 7 ? 6.19598 -42.90151 26.56687 1.000 25.81537 ? 150 LEU C HD12 1 ATOM 87 H HD13 . LEU A 1 7 ? 5.44530 -42.98546 27.96435 1.000 25.81537 ? 150 LEU C HD13 1 ATOM 88 H HD21 . LEU A 1 7 ? 5.29092 -40.40811 28.85329 1.000 29.26491 ? 150 LEU C HD21 1 ATOM 89 H HD22 . LEU A 1 7 ? 6.12924 -41.36183 29.80783 1.000 29.26491 ? 150 LEU C HD22 1 ATOM 90 H HD23 . LEU A 1 7 ? 6.75354 -39.98865 29.30970 1.000 29.26491 ? 150 LEU C HD23 1 ATOM 91 N N . THR A 1 8 ? 10.77244 -42.00589 30.46901 1.000 22.60853 ? 151 THR C N 1 ATOM 92 C CA . THR A 1 8 ? 11.96104 -42.67068 30.98776 1.000 21.89353 ? 151 THR C CA 1 ATOM 93 C C . THR A 1 8 ? 11.54277 -43.75682 31.96124 1.000 23.26636 ? 151 THR C C 1 ATOM 94 O O . THR A 1 8 ? 10.80594 -43.48284 32.92040 1.000 23.67722 ? 151 THR C O 1 ATOM 95 C CB . THR A 1 8 ? 12.88390 -41.66566 31.67787 1.000 24.45354 ? 151 THR C CB 1 ATOM 96 O OG1 . THR A 1 8 ? 13.29666 -40.68798 30.71832 1.000 26.84004 ? 151 THR C OG1 1 ATOM 97 C CG2 . THR A 1 8 ? 14.10210 -42.37239 32.26566 1.000 26.61371 ? 151 THR C CG2 1 ATOM 98 H H . THR A 1 8 ? 10.38503 -41.49096 31.03853 1.000 27.12700 ? 151 THR C H 1 ATOM 99 H HA . THR A 1 8 ? 12.44976 -43.08579 30.25993 1.000 26.26901 ? 151 THR C HA 1 ATOM 100 H HB . THR A 1 8 ? 12.41937 -41.22778 32.40819 1.000 29.34102 ? 151 THR C HB 1 ATOM 101 H HG1 . THR A 1 8 ? 13.95817 -40.26040 31.01018 1.000 32.20482 ? 151 THR C HG1 1 ATOM 102 H HG21 . THR A 1 8 ? 14.73519 -41.71851 32.60111 1.000 31.93323 ? 151 THR C HG21 1 ATOM 103 H HG22 . THR A 1 8 ? 13.83014 -42.95051 32.99553 1.000 31.93323 ? 151 THR C HG22 1 ATOM 104 H HG23 . THR A 1 8 ? 14.53543 -42.90906 31.58367 1.000 31.93323 ? 151 THR C HG23 1 ATOM 105 N N . GLN A 1 9 ? 11.99412 -44.98453 31.68787 1.000 23.25993 ? 152 GLN C N 1 ATOM 106 C CA . GLN A 1 9 ? 11.79695 -46.14678 32.53204 1.000 23.25089 ? 152 GLN C CA 1 ATOM 107 C C . GLN A 1 9 ? 13.15336 -46.67325 32.99051 1.000 23.62846 ? 152 GLN C C 1 ATOM 108 O O . GLN A 1 9 ? 14.16356 -46.50824 32.29334 1.000 25.13641 ? 152 GLN C O 1 ATOM 109 C CB . GLN A 1 9 ? 11.12895 -47.29608 31.76457 1.000 24.42480 ? 152 GLN C CB 1 ATOM 110 C CG . GLN A 1 9 ? 9.96972 -46.92988 30.90264 1.000 23.60414 ? 152 GLN C CG 1 ATOM 111 C CD . GLN A 1 9 ? 9.49233 -48.10629 30.07325 1.000 21.15347 ? 152 GLN C CD 1 ATOM 112 O OE1 . GLN A 1 9 ? 9.23099 -47.96147 28.88569 1.000 21.63511 ? 152 GLN C OE1 1 ATOM 113 N NE2 . GLN A 1 9 ? 9.38580 -49.27647 30.68480 1.000 21.31978 ? 152 GLN C NE2 1 ATOM 114 H H . GLN A 1 9 ? 12.44145 -45.17172 30.97762 1.000 27.90869 ? 152 GLN C H 1 ATOM 115 H HA . GLN A 1 9 ? 11.24293 -45.89379 33.28700 1.000 27.89783 ? 152 GLN C HA 1 ATOM 116 H HB2 . GLN A 1 9 ? 11.79558 -47.70179 31.18845 1.000 29.30653 ? 152 GLN C HB2 1 ATOM 117 H HB3 . GLN A 1 9 ? 10.80977 -47.94513 32.41090 1.000 29.30653 ? 152 GLN C HB3 1 ATOM 118 H HG2 . GLN A 1 9 ? 9.23503 -46.63466 31.46297 1.000 28.32174 ? 152 GLN C HG2 1 ATOM 119 H HG3 . GLN A 1 9 ? 10.23264 -46.21828 30.29815 1.000 28.32174 ? 152 GLN C HG3 1 ATOM 120 H HE21 . GLN A 1 9 ? 9.58412 -49.34544 31.51878 1.000 25.58050 ? 152 GLN C HE21 1 ATOM 121 H HE22 . GLN A 1 9 ? 9.11833 -49.96723 30.24787 1.000 25.58050 ? 152 GLN C HE22 1 ATOM 122 N N . PRO A 1 10 ? 13.19921 -47.38113 34.11088 1.000 23.42846 ? 153 PRO C N 1 ATOM 123 C CA . PRO A 1 10 ? 14.43766 -48.08537 34.47302 1.000 23.95688 ? 153 PRO C CA 1 ATOM 124 C C . PRO A 1 10 ? 14.76512 -49.14726 33.43543 1.000 23.58692 ? 153 PRO C C 1 ATOM 125 O O . PRO A 1 10 ? 13.87945 -49.80857 32.90202 1.000 22.81185 ? 153 PRO C O 1 ATOM 126 C CB . PRO A 1 10 ? 14.11080 -48.70624 35.83839 1.000 25.01899 ? 153 PRO C CB 1 ATOM 127 C CG . PRO A 1 10 ? 12.60176 -48.83760 35.85370 1.000 25.57254 ? 153 PRO C CG 1 ATOM 128 C CD . PRO A 1 10 ? 12.07914 -47.69295 35.01849 1.000 23.14282 ? 153 PRO C CD 1 ATOM 129 H HA . PRO A 1 10 ? 15.18257 -47.47187 34.57122 1.000 28.74503 ? 153 PRO C HA 1 ATOM 130 H HB2 . PRO A 1 10 ? 14.53620 -49.57439 35.91735 1.000 30.01956 ? 153 PRO C HB2 1 ATOM 131 H HB3 . PRO A 1 10 ? 14.41612 -48.12128 36.54937 1.000 30.01956 ? 153 PRO C HB3 1 ATOM 132 H HG2 . PRO A 1 10 ? 12.34367 -49.68964 35.46858 1.000 30.68382 ? 153 PRO C HG2 1 ATOM 133 H HG3 . PRO A 1 10 ? 12.27710 -48.77371 36.76551 1.000 30.68382 ? 153 PRO C HG3 1 ATOM 134 H HD2 . PRO A 1 10 ? 11.29516 -47.96441 34.51591 1.000 27.76816 ? 153 PRO C HD2 1 ATOM 135 H HD3 . PRO A 1 10 ? 11.86690 -46.92897 35.57723 1.000 27.76816 ? 153 PRO C HD3 1 ATOM 136 N N . ARG A 1 11 ? 16.05991 -49.33887 33.17818 1.000 26.11077 ? 154 ARG C N 1 ATOM 137 C CA . ARG A 1 11 ? 16.44006 -50.32466 32.17648 1.000 29.04720 ? 154 ARG C CA 1 ATOM 138 C C . ARG A 1 11 ? 16.18877 -51.74745 32.65036 1.000 26.05455 ? 154 ARG C C 1 ATOM 139 O O . ARG A 1 11 ? 15.84524 -52.62043 31.83931 1.000 24.30703 ? 154 ARG C O 1 ATOM 140 C CB . ARG A 1 11 ? 17.92450 -50.17076 31.82399 1.000 37.03268 ? 154 ARG C CB 1 ATOM 141 C CG . ARG A 1 11 ? 18.16987 -49.18315 30.72215 1.000 45.21838 ? 154 ARG C CG 1 ATOM 142 C CD . ARG A 1 11 ? 19.66457 -48.90181 30.57469 1.000 44.46878 ? 154 ARG C CD 1 ATOM 143 N NE . ARG A 1 11 ? 20.40344 -49.09950 31.82136 1.000 45.91620 ? 154 ARG C NE 1 ATOM 144 C CZ . ARG A 1 11 ? 20.98660 -48.12603 32.51072 1.000 46.69442 ? 154 ARG C CZ 1 ATOM 145 N NH1 . ARG A 1 11 ? 20.99808 -46.87336 32.07123 1.000 47.97667 ? 154 ARG C NH1 1 ATOM 146 N NH2 . ARG A 1 11 ? 21.56865 -48.41156 33.67186 1.000 47.21366 ? 154 ARG C NH2 1 ATOM 147 H H . ARG A 1 11 ? 16.71163 -48.92504 33.55714 1.000 31.32969 ? 154 ARG C H 1 ATOM 148 H HA . ARG A 1 11 ? 15.90691 -50.16512 31.38200 1.000 34.85341 ? 154 ARG C HA 1 ATOM 149 H HB2 . ARG A 1 11 ? 18.40410 -49.86632 32.61024 1.000 44.43599 ? 154 ARG C HB2 1 ATOM 150 H HB3 . ARG A 1 11 ? 18.26992 -51.03050 31.53688 1.000 44.43599 ? 154 ARG C HB3 1 ATOM 151 H HG2 . ARG A 1 11 ? 17.83947 -49.54295 29.88413 1.000 54.25883 ? 154 ARG C HG2 1 ATOM 152 H HG3 . ARG A 1 11 ? 17.71771 -48.34969 30.92658 1.000 54.25883 ? 154 ARG C HG3 1 ATOM 153 H HD2 . ARG A 1 11 ? 20.03504 -49.50158 29.90841 1.000 53.35931 ? 154 ARG C HD2 1 ATOM 154 H HD3 . ARG A 1 11 ? 19.78705 -47.98064 30.29657 1.000 53.35931 ? 154 ARG C HD3 1 ATOM 155 H HE . ARG A 1 11 ? 20.46428 -49.90042 32.12867 1.000 55.09621 ? 154 ARG C HE 1 ATOM 156 H HH11 . ARG A 1 11 ? 20.62177 -46.67658 31.32338 1.000 57.56877 ? 154 ARG C HH11 1 ATOM 157 H HH12 . ARG A 1 11 ? 21.38183 -46.25867 32.53436 1.000 57.56877 ? 154 ARG C HH12 1 ATOM 158 H HH21 . ARG A 1 11 ? 21.56437 -49.21897 33.96795 1.000 56.65317 ? 154 ARG C HH21 1 ATOM 159 H HH22 . ARG A 1 11 ? 21.94934 -47.78879 34.12666 1.000 56.65317 ? 154 ARG C HH22 1 ATOM 160 N N . SER A 1 12 ? 16.34278 -51.99370 33.94688 1.000 25.92691 ? 155 SER C N 1 ATOM 161 C CA . SER A 1 12 ? 16.27640 -53.32464 34.51750 1.000 28.08331 ? 155 SER C CA 1 ATOM 162 C C . SER A 1 12 ? 15.49978 -53.23948 35.81353 1.000 26.38163 ? 155 SER C C 1 ATOM 163 O O . SER A 1 12 ? 15.66704 -52.28547 36.57360 1.000 28.45624 ? 155 SER C O 1 ATOM 164 C CB . SER A 1 12 ? 17.68073 -53.83334 34.91599 1.000 30.86272 ? 155 SER C CB 1 ATOM 165 O OG . SER A 1 12 ? 18.56853 -53.79337 33.81764 1.000 33.84955 ? 155 SER C OG 1 ATOM 166 H H A SER A 1 12 ? 16.49172 -51.38228 34.53305 0.600 31.10907 ? 155 SER C H 1 ATOM 167 H H B SER A 1 12 ? 16.49172 -51.38228 34.53305 0.400 31.10907 ? 155 SER C H 1 ATOM 168 H HA . SER A 1 12 ? 15.85868 -53.92295 33.87840 1.000 33.69675 ? 155 SER C HA 1 ATOM 169 H HB2 . SER A 1 12 ? 18.03034 -53.26946 35.62360 1.000 37.03203 ? 155 SER C HB2 1 ATOM 170 H HB3 . SER A 1 12 ? 17.60682 -54.74901 35.22742 1.000 37.03203 ? 155 SER C HB3 1 ATOM 171 H HG . SER A 1 12 ? 18.42707 -53.10412 33.35882 1.000 40.61623 ? 155 SER C HG 1 ATOM 172 N N . VAL A 1 13 ? 14.65860 -54.22822 36.05368 1.000 24.30679 ? 156 VAL C N 1 ATOM 173 C CA . VAL A 1 13 ? 14.03523 -54.44075 37.35267 1.000 25.07481 ? 156 VAL C CA 1 ATOM 174 C C . VAL A 1 13 ? 14.08661 -55.92901 37.64347 1.000 24.27881 ? 156 VAL C C 1 ATOM 175 O O . VAL A 1 13 ? 13.93548 -56.75246 36.73626 1.000 23.39173 ? 156 VAL C O 1 ATOM 176 C CB . VAL A 1 13 ? 12.59917 -53.89244 37.40862 1.000 25.44556 ? 156 VAL C CB 1 ATOM 177 C CG1 . VAL A 1 13 ? 11.93890 -54.21607 38.73687 1.000 27.55623 ? 156 VAL C CG1 1 ATOM 178 C CG2 . VAL A 1 13 ? 12.62832 -52.38755 37.21656 1.000 26.70798 ? 156 VAL C CG2 1 ATOM 179 H H . VAL A 1 13 ? 14.42392 -54.80873 35.46416 1.000 29.16492 ? 156 VAL C H 1 ATOM 180 H HA . VAL A 1 13 ? 14.53661 -53.97475 38.03996 1.000 30.08654 ? 156 VAL C HA 1 ATOM 181 H HB . VAL A 1 13 ? 12.07946 -54.30849 36.70314 1.000 30.53144 ? 156 VAL C HB 1 ATOM 182 H HG11 . VAL A 1 13 ? 11.05535 -53.81623 38.75605 1.000 33.06425 ? 156 VAL C HG11 1 ATOM 183 H HG12 . VAL A 1 13 ? 11.86818 -55.17918 38.82802 1.000 33.06425 ? 156 VAL C HG12 1 ATOM 184 H HG13 . VAL A 1 13 ? 12.48115 -53.85475 39.45542 1.000 33.06425 ? 156 VAL C HG13 1 ATOM 185 H HG21 . VAL A 1 13 ? 11.71994 -52.04828 37.24206 1.000 32.04635 ? 156 VAL C HG21 1 ATOM 186 H HG22 . VAL A 1 13 ? 13.15070 -51.98824 37.92970 1.000 32.04635 ? 156 VAL C HG22 1 ATOM 187 H HG23 . VAL A 1 13 ? 13.03251 -52.18653 36.35801 1.000 32.04635 ? 156 VAL C HG23 1 ATOM 188 N N . SER A 1 14 ? 14.31981 -56.27274 38.91565 1.000 25.69468 ? 157 SER C N 1 ATOM 189 C CA . SER A 1 14 ? 14.55804 -57.64927 39.31108 1.000 26.34106 ? 157 SER C CA 1 ATOM 190 C C . SER A 1 14 ? 13.85878 -57.91925 40.62889 1.000 25.25014 ? 157 SER C C 1 ATOM 191 O O . SER A 1 14 ? 13.84938 -57.06394 41.52398 1.000 27.43931 ? 157 SER C O 1 ATOM 192 C CB . SER A 1 14 ? 16.04575 -57.89725 39.57578 1.000 27.38506 ? 157 SER C CB 1 ATOM 193 O OG . SER A 1 14 ? 16.83010 -57.62018 38.42044 1.000 32.74668 ? 157 SER C OG 1 ATOM 194 H H . SER A 1 14 ? 14.34365 -55.71420 39.56915 1.000 30.83039 ? 157 SER C H 1 ATOM 195 H HA . SER A 1 14 ? 14.22304 -58.23151 38.61131 1.000 31.60604 ? 157 SER C HA 1 ATOM 196 H HB2 . SER A 1 14 ? 16.33655 -57.31939 40.29855 1.000 32.85884 ? 157 SER C HB2 1 ATOM 197 H HB3 . SER A 1 14 ? 16.16975 -58.82677 39.82381 1.000 32.85884 ? 157 SER C HB3 1 ATOM 198 H HG . SER A 1 14 ? 17.64598 -57.71075 38.59860 1.000 39.29279 ? 157 SER C HG 1 ATOM 199 N N . GLU A 1 15 ? 13.30585 -59.11781 40.75882 1.000 23.86740 ? 158 GLU C N 1 ATOM 200 C CA . GLU A 1 15 ? 12.64332 -59.48659 42.00538 1.000 24.94710 ? 158 GLU C CA 1 ATOM 201 C C . GLU A 1 15 ? 12.40229 -60.98685 42.04067 1.000 23.57260 ? 158 GLU C C 1 ATOM 202 O O . GLU A 1 15 ? 12.46968 -61.66518 41.02129 1.000 24.54019 ? 158 GLU C O 1 ATOM 203 C CB . GLU A 1 15 ? 11.33230 -58.70108 42.13611 1.000 30.05523 ? 158 GLU C CB 1 ATOM 204 C CG . GLU A 1 15 ? 10.72361 -58.73013 43.49579 1.000 35.03279 ? 158 GLU C CG 1 ATOM 205 C CD . GLU A 1 15 ? 11.72036 -58.40347 44.57743 1.000 40.58377 ? 158 GLU C CD 1 ATOM 206 O OE1 . GLU A 1 15 ? 12.05415 -57.21173 44.73343 1.000 48.98697 ? 158 GLU C OE1 1 ATOM 207 O OE2 . GLU A 1 15 ? 12.19618 -59.34750 45.23635 1.000 38.29829 -1 158 GLU C OE2 1 ATOM 208 H H . GLU A 1 15 ? 13.30013 -59.72621 40.15101 1.000 28.63765 ? 158 GLU C H 1 ATOM 209 H HA . GLU A 1 15 ? 13.21659 -59.28950 42.76262 1.000 29.93329 ? 158 GLU C HA 1 ATOM 210 H HB2 . GLU A 1 15 ? 11.50530 -57.77307 41.91300 1.000 36.06304 ? 158 GLU C HB2 1 ATOM 211 H HB3 . GLU A 1 15 ? 10.68536 -59.07583 41.51810 1.000 36.06304 ? 158 GLU C HB3 1 ATOM 212 H HG2 . GLU A 1 15 ? 10.00823 -58.07638 43.53752 1.000 42.03611 ? 158 GLU C HG2 1 ATOM 213 H HG3 . GLU A 1 15 ? 10.37227 -59.61780 43.66756 1.000 42.03611 ? 158 GLU C HG3 1 ATOM 214 N N . SER A 1 16 ? 12.16672 -61.50921 43.26839 1.000 24.35946 ? 159 SER C N 1 ATOM 215 C CA . SER A 1 16 ? 11.88075 -62.91360 43.47173 1.000 25.51282 ? 159 SER C CA 1 ATOM 216 C C . SER A 1 16 ? 10.41099 -63.22065 43.20611 1.000 25.48589 ? 159 SER C C 1 ATOM 217 O O . SER A 1 16 ? 9.55157 -62.34645 43.34983 1.000 23.84435 ? 159 SER C O 1 ATOM 218 C CB . SER A 1 16 ? 12.19028 -63.31061 44.91536 1.000 28.90219 ? 159 SER C CB 1 ATOM 219 O OG . SER A 1 16 ? 13.57469 -63.36748 45.11325 1.000 31.98442 ? 159 SER C OG 1 ATOM 220 H H . SER A 1 16 ? 12.17092 -61.05117 43.99625 1.000 29.22813 ? 159 SER C H 1 ATOM 221 H HA . SER A 1 16 ? 12.42757 -63.43368 42.86229 1.000 30.61216 ? 159 SER C HA 1 ATOM 222 H HB2 . SER A 1 16 ? 11.80948 -62.65082 45.51583 1.000 34.67939 ? 159 SER C HB2 1 ATOM 223 H HB3 . SER A 1 16 ? 11.80668 -64.18324 45.09500 1.000 34.67939 ? 159 SER C HB3 1 ATOM 224 H HG . SER A 1 16 ? 13.74581 -63.76263 45.83448 1.000 38.37807 ? 159 SER C HG 1 ATOM 225 N N . PRO A 1 17 ? 10.09065 -64.46971 42.85746 1.000 25.65401 ? 160 PRO C N 1 ATOM 226 C CA . PRO A 1 17 ? 8.68106 -64.82455 42.64765 1.000 26.56258 ? 160 PRO C CA 1 ATOM 227 C C . PRO A 1 17 ? 7.83310 -64.55034 43.87882 1.000 27.43466 ? 160 PRO C C 1 ATOM 228 O O . PRO A 1 17 ? 8.27040 -64.70551 45.02447 1.000 27.82500 ? 160 PRO C O 1 ATOM 229 C CB . PRO A 1 17 ? 8.72679 -66.32587 42.33797 1.000 27.85934 ? 160 PRO C CB 1 ATOM 230 C CG . PRO A 1 17 ? 10.12263 -66.56625 41.80627 1.000 27.78188 ? 160 PRO C CG 1 ATOM 231 C CD . PRO A 1 17 ? 10.98429 -65.63080 42.64270 1.000 27.27042 ? 160 PRO C CD 1 ATOM 232 H HA . PRO A 1 17 ? 8.32421 -64.33627 41.88927 1.000 31.87187 ? 160 PRO C HA 1 ATOM 233 H HB2 . PRO A 1 17 ? 8.57007 -66.83612 43.14789 1.000 33.42798 ? 160 PRO C HB2 1 ATOM 234 H HB3 . PRO A 1 17 ? 8.05750 -66.54723 41.67167 1.000 33.42798 ? 160 PRO C HB3 1 ATOM 235 H HG2 . PRO A 1 17 ? 10.37841 -67.49269 41.93732 1.000 33.33502 ? 160 PRO C HG2 1 ATOM 236 H HG3 . PRO A 1 17 ? 10.16822 -66.33957 40.86423 1.000 33.33502 ? 160 PRO C HG3 1 ATOM 237 H HD2 . PRO A 1 17 ? 11.22690 -66.04329 43.48644 1.000 32.72127 ? 160 PRO C HD2 1 ATOM 238 H HD3 . PRO A 1 17 ? 11.78358 -65.36936 42.15928 1.000 32.72127 ? 160 PRO C HD3 1 ATOM 239 N N . GLY A 1 18 ? 6.58551 -64.17842 43.61870 1.000 25.93289 ? 161 GLY C N 1 ATOM 240 C CA . GLY A 1 18 ? 5.63226 -63.90180 44.65655 1.000 27.13404 ? 161 GLY C CA 1 ATOM 241 C C . GLY A 1 18 ? 5.69786 -62.50334 45.21955 1.000 29.44134 ? 161 GLY C C 1 ATOM 242 O O . GLY A 1 18 ? 4.78083 -62.10789 45.95159 1.000 29.99589 ? 161 GLY C O 1 ATOM 243 H H . GLY A 1 18 ? 6.26917 -64.07966 42.82511 1.000 31.11624 ? 161 GLY C H 1 ATOM 244 H HA2 . GLY A 1 18 ? 4.73934 -64.03692 44.30254 1.000 32.55762 ? 161 GLY C HA2 1 ATOM 245 H HA3 . GLY A 1 18 ? 5.77951 -64.52243 45.38733 1.000 32.55762 ? 161 GLY C HA3 1 ATOM 246 N N . LYS A 1 19 ? 6.74233 -61.74302 44.90805 1.000 27.94568 ? 162 LYS C N 1 ATOM 247 C CA . LYS A 1 19 ? 6.84280 -60.37767 45.38520 1.000 29.65948 ? 162 LYS C CA 1 ATOM 248 C C . LYS A 1 19 ? 6.11138 -59.44716 44.42132 1.000 28.75640 ? 162 LYS C C 1 ATOM 249 O O . LYS A 1 19 ? 5.64028 -59.85601 43.35823 1.000 27.22531 ? 162 LYS C O 1 ATOM 250 C CB . LYS A 1 19 ? 8.31279 -59.97956 45.50113 1.000 33.01100 ? 162 LYS C CB 1 ATOM 251 C CG . LYS A 1 19 ? 9.11814 -60.90644 46.40761 1.000 39.38750 ? 162 LYS C CG 1 ATOM 252 C CD . LYS A 1 19 ? 8.91334 -60.57620 47.88133 1.000 46.52142 ? 162 LYS C CD 1 ATOM 253 C CE . LYS A 1 19 ? 9.92105 -61.32543 48.73991 1.000 54.70210 ? 162 LYS C CE 1 ATOM 254 N NZ . LYS A 1 19 ? 10.92048 -60.43048 49.38548 1.000 54.57259 ? 162 LYS C NZ 1 ATOM 255 H H . LYS A 1 19 ? 7.40359 -61.99907 44.42146 1.000 33.53159 ? 162 LYS C H 1 ATOM 256 H HA . LYS A 1 19 ? 6.43660 -60.29727 46.26238 1.000 35.58815 ? 162 LYS C HA 1 ATOM 257 H HB2 . LYS A 1 19 ? 8.71458 -60.00236 44.61856 1.000 39.60997 ? 162 LYS C HB2 1 ATOM 258 H HB3 . LYS A 1 19 ? 8.36711 -59.08299 45.86733 1.000 39.60997 ? 162 LYS C HB3 1 ATOM 259 H HG2 . LYS A 1 19 ? 8.83630 -61.82277 46.25994 1.000 47.26177 ? 162 LYS C HG2 1 ATOM 260 H HG3 . LYS A 1 19 ? 10.06186 -60.81269 46.20391 1.000 47.26177 ? 162 LYS C HG3 1 ATOM 261 H HD2 . LYS A 1 19 ? 9.03542 -59.62413 48.02121 1.000 55.82247 ? 162 LYS C HD2 1 ATOM 262 H HD3 . LYS A 1 19 ? 8.01999 -60.83949 48.15245 1.000 55.82247 ? 162 LYS C HD3 1 ATOM 263 H HE2 . LYS A 1 19 ? 9.44680 -61.79790 49.44188 1.000 65.63929 ? 162 LYS C HE2 1 ATOM 264 H HE3 . LYS A 1 19 ? 10.40241 -61.95630 48.18206 1.000 65.63929 ? 162 LYS C HE3 1 ATOM 265 H HZ1 . LYS A 1 19 ? 11.50098 -60.91269 49.85728 1.000 65.48387 ? 162 LYS C HZ1 1 ATOM 266 H HZ2 . LYS A 1 19 ? 11.36344 -59.97121 48.76503 1.000 65.48387 ? 162 LYS C HZ2 1 ATOM 267 H HZ3 . LYS A 1 19 ? 10.51006 -59.85861 49.93010 1.000 65.48387 ? 162 LYS C HZ3 1 ATOM 268 N N . THR A 1 20 ? 5.99275 -58.18228 44.81577 1.000 30.10824 ? 163 THR C N 1 ATOM 269 C CA . THR A 1 20 ? 5.37007 -57.15958 43.98751 1.000 31.55618 ? 163 THR C CA 1 ATOM 270 C C . THR A 1 20 ? 6.47106 -56.28447 43.40659 1.000 31.90480 ? 163 THR C C 1 ATOM 271 O O . THR A 1 20 ? 7.36767 -55.84848 44.13575 1.000 34.55066 ? 163 THR C O 1 ATOM 272 C CB . THR A 1 20 ? 4.40451 -56.31137 44.81863 1.000 31.88803 ? 163 THR C CB 1 ATOM 273 O OG1 . THR A 1 20 ? 3.32412 -57.11785 45.27923 1.000 33.80133 ? 163 THR C OG1 1 ATOM 274 C CG2 . THR A 1 20 ? 3.86365 -55.15149 43.97428 1.000 33.20889 ? 163 THR C CG2 1 ATOM 275 H H . THR A 1 20 ? 6.27153 -57.88862 45.57448 1.000 36.12666 ? 163 THR C H 1 ATOM 276 H HA . THR A 1 20 ? 4.86826 -57.56557 43.26346 1.000 37.86419 ? 163 THR C HA 1 ATOM 277 H HB . THR A 1 20 ? 4.86900 -55.94316 45.58647 1.000 38.26240 ? 163 THR C HB 1 ATOM 278 H HG1 . THR A 1 20 ? 2.72320 -57.15492 44.69346 1.000 40.55837 ? 163 THR C HG1 1 ATOM 279 H HG21 . THR A 1 20 ? 3.15460 -54.69478 44.45342 1.000 39.84744 ? 163 THR C HG21 1 ATOM 280 H HG22 . THR A 1 20 ? 4.57434 -54.51884 43.78567 1.000 39.84744 ? 163 THR C HG22 1 ATOM 281 H HG23 . THR A 1 20 ? 3.51090 -55.48791 43.13566 1.000 39.84744 ? 163 THR C HG23 1 ATOM 282 N N A VAL A 1 21 ? 6.40569 -56.03727 42.09995 0.601 30.27684 ? 164 VAL C N 1 ATOM 283 N N B VAL A 1 21 ? 6.39160 -56.02825 42.09955 0.399 31.74307 ? 164 VAL C N 1 ATOM 284 C CA A VAL A 1 21 ? 7.35765 -55.15657 41.43523 0.601 30.24751 ? 164 VAL C CA 1 ATOM 285 C CA B VAL A 1 21 ? 7.34251 -55.18230 41.38755 0.399 31.94760 ? 164 VAL C CA 1 ATOM 286 C C A VAL A 1 21 ? 6.60308 -53.99593 40.80534 0.601 29.29958 ? 164 VAL C C 1 ATOM 287 C C B VAL A 1 21 ? 6.59276 -53.99280 40.80358 0.399 30.39236 ? 164 VAL C C 1 ATOM 288 O O A VAL A 1 21 ? 5.47124 -54.15085 40.33951 0.601 28.39992 ? 164 VAL C O 1 ATOM 289 O O B VAL A 1 21 ? 5.44022 -54.12620 40.38123 0.399 28.92071 ? 164 VAL C O 1 ATOM 290 C CB A VAL A 1 21 ? 8.20409 -55.87882 40.36719 0.601 32.16045 ? 164 VAL C CB 1 ATOM 291 C CB B VAL A 1 21 ? 8.05593 -55.96236 40.26449 0.399 34.10288 ? 164 VAL C CB 1 ATOM 292 C CG1 A VAL A 1 21 ? 9.05379 -56.95150 40.99043 0.601 36.05851 ? 164 VAL C CG1 1 ATOM 293 C CG1 B VAL A 1 21 ? 8.82538 -55.00816 39.36985 0.399 34.44653 ? 164 VAL C CG1 1 ATOM 294 C CG2 A VAL A 1 21 ? 7.30071 -56.45837 39.29267 0.601 30.60472 ? 164 VAL C CG2 1 ATOM 295 C CG2 B VAL A 1 21 ? 8.98417 -57.00664 40.84140 0.399 34.11216 ? 164 VAL C CG2 1 ATOM 296 H H A VAL A 1 21 ? 5.81284 -56.37201 41.57451 0.601 36.32898 ? 164 VAL C H 1 ATOM 297 H H B VAL A 1 21 ? 5.77476 -56.34479 41.59072 0.399 38.08845 ? 164 VAL C H 1 ATOM 298 H HA A VAL A 1 21 ? 7.96224 -54.80928 42.10959 0.601 36.29378 ? 164 VAL C HA 1 ATOM 299 H HA B VAL A 1 21 ? 8.00737 -54.85403 42.01294 0.399 38.33388 ? 164 VAL C HA 1 ATOM 300 H HB A VAL A 1 21 ? 8.80241 -55.23817 39.95188 0.601 38.58930 ? 164 VAL C HB 1 ATOM 301 H HB B VAL A 1 21 ? 7.38782 -56.41822 39.72902 0.399 40.92023 ? 164 VAL C HB 1 ATOM 302 H HG11 A VAL A 1 21 ? 9.70396 -57.25769 40.33895 0.601 43.26698 ? 164 VAL C HG11 1 ATOM 303 H HG11 B VAL A 1 21 ? 9.48690 -55.50974 38.86815 0.399 41.33261 ? 164 VAL C HG11 1 ATOM 304 H HG12 A VAL A 1 21 ? 9.50877 -56.58413 41.76433 0.601 43.26698 ? 164 VAL C HG12 1 ATOM 305 H HG12 B VAL A 1 21 ? 8.20552 -54.57695 38.76097 0.399 41.33261 ? 164 VAL C HG12 1 ATOM 306 H HG13 A VAL A 1 21 ? 8.48399 -57.68852 41.26068 0.601 43.26698 ? 164 VAL C HG13 1 ATOM 307 H HG13 B VAL A 1 21 ? 9.26408 -54.34208 39.92192 0.399 41.33261 ? 164 VAL C HG13 1 ATOM 308 H HG21 A VAL A 1 21 ? 7.83085 -57.01446 38.70054 0.601 36.72243 ? 164 VAL C HG21 1 ATOM 309 H HG21 B VAL A 1 21 ? 9.49942 -57.40339 40.12167 0.399 40.93136 ? 164 VAL C HG21 1 ATOM 310 H HG22 A VAL A 1 21 ? 6.60883 -56.99094 39.71524 0.601 36.72243 ? 164 VAL C HG22 1 ATOM 311 H HG22 B VAL A 1 21 ? 9.57916 -56.58246 41.47932 0.399 40.93136 ? 164 VAL C HG22 1 ATOM 312 H HG23 A VAL A 1 21 ? 6.89891 -55.73124 38.79193 0.601 36.72243 ? 164 VAL C HG23 1 ATOM 313 H HG23 B VAL A 1 21 ? 8.45569 -57.68857 41.28478 0.399 40.93136 ? 164 VAL C HG23 1 ATOM 314 N N . THR A 1 22 ? 7.25078 -52.83500 40.76750 1.000 29.17144 ? 165 THR C N 1 ATOM 315 C CA . THR A 1 22 ? 6.69129 -51.63655 40.15559 1.000 29.43086 ? 165 THR C CA 1 ATOM 316 C C . THR A 1 22 ? 7.69358 -51.05659 39.15988 1.000 27.94596 ? 165 THR C C 1 ATOM 317 O O . THR A 1 22 ? 8.89226 -50.96122 39.43420 1.000 28.73406 ? 165 THR C O 1 ATOM 318 C CB . THR A 1 22 ? 6.28151 -50.61161 41.22819 1.000 35.85476 ? 165 THR C CB 1 ATOM 319 O OG1 . THR A 1 22 ? 5.21045 -51.16869 42.00913 1.000 41.73201 ? 165 THR C OG1 1 ATOM 320 C CG2 . THR A 1 22 ? 5.81401 -49.30579 40.60352 1.000 35.79697 ? 165 THR C CG2 1 ATOM 321 H H . THR A 1 22 ? 8.03540 -52.71251 41.09762 1.000 35.00250 ? 165 THR C H 1 ATOM 322 H HA . THR A 1 22 ? 5.89472 -51.86073 39.64951 1.000 35.31381 ? 165 THR C HA 1 ATOM 323 H HB . THR A 1 22 ? 7.04624 -50.41018 41.78988 1.000 43.02248 ? 165 THR C HB 1 ATOM 324 H HG1 . THR A 1 22 ? 5.01060 -50.64682 42.63627 1.000 50.07518 ? 165 THR C HG1 1 ATOM 325 H HG21 . THR A 1 22 ? 5.48927 -48.70575 41.29300 1.000 42.95313 ? 165 THR C HG21 1 ATOM 326 H HG22 . THR A 1 22 ? 6.54943 -48.87962 40.13613 1.000 42.95313 ? 165 THR C HG22 1 ATOM 327 H HG23 . THR A 1 22 ? 5.09746 -49.47762 39.97270 1.000 42.95313 ? 165 THR C HG23 1 ATOM 328 N N . ILE A 1 23 ? 7.20220 -50.72672 37.97514 1.000 25.09549 ? 166 ILE C N 1 ATOM 329 C CA . ILE A 1 23 ? 7.99791 -50.15768 36.89331 1.000 23.91646 ? 166 ILE C CA 1 ATOM 330 C C . ILE A 1 23 ? 7.42792 -48.77664 36.59742 1.000 25.05562 ? 166 ILE C C 1 ATOM 331 O O . ILE A 1 23 ? 6.24315 -48.65137 36.25166 1.000 25.41101 ? 166 ILE C O 1 ATOM 332 C CB . ILE A 1 23 ? 7.91521 -51.03340 35.63027 1.000 23.02378 ? 166 ILE C CB 1 ATOM 333 C CG1 . ILE A 1 23 ? 8.47404 -52.43720 35.90930 1.000 23.59715 ? 166 ILE C CG1 1 ATOM 334 C CG2 . ILE A 1 23 ? 8.63341 -50.35157 34.46174 1.000 23.45501 ? 166 ILE C CG2 1 ATOM 335 C CD1 . ILE A 1 23 ? 8.30404 -53.40408 34.75716 1.000 25.52514 ? 166 ILE C CD1 1 ATOM 336 H H . ILE A 1 23 ? 6.37479 -50.82681 37.76305 1.000 30.11136 ? 166 ILE C H 1 ATOM 337 H HA . ILE A 1 23 ? 8.92393 -50.07430 37.16977 1.000 28.69652 ? 166 ILE C HA 1 ATOM 338 H HB . ILE A 1 23 ? 6.98342 -51.13809 35.38185 1.000 27.62530 ? 166 ILE C HB 1 ATOM 339 H HG12 . ILE A 1 23 ? 9.42311 -52.36328 36.09558 1.000 28.31335 ? 166 ILE C HG12 1 ATOM 340 H HG13 . ILE A 1 23 ? 8.01311 -52.80889 36.67760 1.000 28.31335 ? 166 ILE C HG13 1 ATOM 341 H HG21 . ILE A 1 23 ? 8.63073 -50.94898 33.69755 1.000 28.14278 ? 166 ILE C HG21 1 ATOM 342 H HG22 . ILE A 1 23 ? 8.16756 -49.52991 34.24090 1.000 28.14278 ? 166 ILE C HG22 1 ATOM 343 H HG23 . ILE A 1 23 ? 9.54616 -50.15408 34.72402 1.000 28.14278 ? 166 ILE C HG23 1 ATOM 344 H HD11 . ILE A 1 23 ? 8.53730 -54.29663 35.05688 1.000 30.62693 ? 166 ILE C HD11 1 ATOM 345 H HD12 . ILE A 1 23 ? 7.38005 -53.38499 34.46259 1.000 30.62693 ? 166 ILE C HD12 1 ATOM 346 H HD13 . ILE A 1 23 ? 8.88837 -53.13578 34.03089 1.000 30.62693 ? 166 ILE C HD13 1 ATOM 347 N N . SER A 1 24 ? 8.26783 -47.75538 36.70380 1.000 24.94218 ? 167 SER C N 1 ATOM 348 C CA . SER A 1 24 ? 7.83152 -46.38519 36.50304 1.000 27.23625 ? 167 SER C CA 1 ATOM 349 C C . SER A 1 24 ? 8.15131 -45.89647 35.09318 1.000 26.41004 ? 167 SER C C 1 ATOM 350 O O . SER A 1 24 ? 9.03594 -46.41185 34.39912 1.000 26.40175 ? 167 SER C O 1 ATOM 351 C CB . SER A 1 24 ? 8.50252 -45.44345 37.50920 1.000 30.73526 ? 167 SER C CB 1 ATOM 352 O OG . SER A 1 24 ? 9.91536 -45.42689 37.31496 1.000 32.85069 ? 167 SER C OG 1 ATOM 353 H H . SER A 1 24 ? 9.10298 -47.83409 36.89333 1.000 29.92738 ? 167 SER C H 1 ATOM 354 H HA . SER A 1 24 ? 6.87014 -46.35751 36.62907 1.000 32.68027 ? 167 SER C HA 1 ATOM 355 H HB2 . SER A 1 24 ? 8.15498 -44.54652 37.38416 1.000 36.87908 ? 167 SER C HB2 1 ATOM 356 H HB3 . SER A 1 24 ? 8.30994 -45.75147 38.40861 1.000 36.87908 ? 167 SER C HB3 1 ATOM 357 H HG . SER A 1 24 ? 10.28305 -44.97302 37.91862 1.000 39.41760 ? 167 SER C HG 1 ATOM 358 N N . CYS A 1 25 ? 7.43786 -44.84309 34.70375 1.000 26.18016 ? 168 CYS C N 1 ATOM 359 C CA . CYS A 1 25 ? 7.53752 -44.24850 33.37951 1.000 25.01517 ? 168 CYS C CA 1 ATOM 360 C C . CYS A 1 25 ? 7.32420 -42.75601 33.58799 1.000 24.34719 ? 168 CYS C C 1 ATOM 361 O O . CYS A 1 25 ? 6.19025 -42.31487 33.79166 1.000 25.85352 ? 168 CYS C O 1 ATOM 362 C CB . CYS A 1 25 ? 6.43904 -44.84871 32.50736 1.000 26.93456 ? 168 CYS C CB 1 ATOM 363 S SG . CYS A 1 25 ? 6.16567 -44.09732 30.95887 1.000 26.89174 ? 168 CYS C SG 1 ATOM 364 H H . CYS A 1 25 ? 6.86908 -44.44224 35.20913 1.000 31.41297 ? 168 CYS C H 1 ATOM 365 H HA . CYS A 1 25 ? 8.39962 -44.38974 32.95790 1.000 30.01498 ? 168 CYS C HA 1 ATOM 366 H HB2 . CYS A 1 25 ? 6.66567 -45.77614 32.33586 1.000 32.31825 ? 168 CYS C HB2 1 ATOM 367 H HB3 . CYS A 1 25 ? 5.60425 -44.79655 32.99858 1.000 32.31825 ? 168 CYS C HB3 1 ATOM 368 N N . THR A 1 26 ? 8.40477 -41.98616 33.56709 1.000 24.77033 ? 169 THR C N 1 ATOM 369 C CA . THR A 1 26 ? 8.36819 -40.56668 33.90291 1.000 23.53754 ? 169 THR C CA 1 ATOM 370 C C . THR A 1 26 ? 8.37990 -39.73090 32.62714 1.000 23.01400 ? 169 THR C C 1 ATOM 371 O O . THR A 1 26 ? 9.23081 -39.92888 31.75829 1.000 22.07310 ? 169 THR C O 1 ATOM 372 C CB . THR A 1 26 ? 9.56667 -40.19274 34.78236 1.000 25.62437 ? 169 THR C CB 1 ATOM 373 O OG1 . THR A 1 26 ? 9.52259 -40.95418 36.00284 1.000 27.87367 ? 169 THR C OG1 1 ATOM 374 C CG2 . THR A 1 26 ? 9.55028 -38.71275 35.12955 1.000 26.01262 ? 169 THR C CG2 1 ATOM 375 H H A THR A 1 26 ? 9.18936 -42.26865 33.35684 0.880 29.72117 ? 169 THR C H 1 ATOM 376 H H B THR A 1 26 ? 9.18936 -42.26865 33.35684 0.120 29.72117 ? 169 THR C H 1 ATOM 377 H HA . THR A 1 26 ? 7.55041 -40.37143 34.38666 1.000 28.24182 ? 169 THR C HA 1 ATOM 378 H HB . THR A 1 26 ? 10.38502 -40.38449 34.29817 1.000 30.74601 ? 169 THR C HB 1 ATOM 379 H HG1 . THR A 1 26 ? 9.44269 -41.77199 35.82852 1.000 33.44517 ? 169 THR C HG1 1 ATOM 380 H HG21 . THR A 1 26 ? 10.24816 -38.51533 35.77367 1.000 31.21191 ? 169 THR C HG21 1 ATOM 381 H HG22 . THR A 1 26 ? 9.69997 -38.18295 34.33092 1.000 31.21191 ? 169 THR C HG22 1 ATOM 382 H HG23 . THR A 1 26 ? 8.69197 -38.47104 35.51137 1.000 31.21191 ? 169 THR C HG23 1 ATOM 383 N N . ARG A 1 27 ? 7.45984 -38.77911 32.53687 1.000 22.11628 ? 170 ARG C N 1 ATOM 384 C CA . ARG A 1 27 ? 7.35997 -37.89334 31.37776 1.000 23.30999 ? 170 ARG C CA 1 ATOM 385 C C . ARG A 1 27 ? 8.23298 -36.65883 31.61074 1.000 25.71078 ? 170 ARG C C 1 ATOM 386 O O . ARG A 1 27 ? 8.12995 -35.99899 32.65128 1.000 26.37875 ? 170 ARG C O 1 ATOM 387 C CB . ARG A 1 27 ? 5.89814 -37.51419 31.16435 1.000 23.12261 ? 170 ARG C CB 1 ATOM 388 C CG . ARG A 1 27 ? 5.65214 -36.53459 30.04234 1.000 23.11524 ? 170 ARG C CG 1 ATOM 389 C CD . ARG A 1 27 ? 4.18061 -36.46403 29.66597 1.000 22.34189 ? 170 ARG C CD 1 ATOM 390 N NE . ARG A 1 27 ? 3.93906 -35.36758 28.73704 1.000 22.79648 ? 170 ARG C NE 1 ATOM 391 C CZ . ARG A 1 27 ? 2.83315 -35.21658 28.02090 1.000 23.61591 ? 170 ARG C CZ 1 ATOM 392 N NH1 . ARG A 1 27 ? 1.85841 -36.10032 28.06422 1.000 22.76673 ? 170 ARG C NH1 1 ATOM 393 N NH2 . ARG A 1 27 ? 2.70102 -34.14567 27.24481 1.000 24.28577 ? 170 ARG C NH2 1 ATOM 394 H H . ARG A 1 27 ? 6.87047 -38.62142 33.14297 1.000 26.53631 ? 170 ARG C H 1 ATOM 395 H HA . ARG A 1 27 ? 7.68184 -38.32867 30.57290 1.000 27.96875 ? 170 ARG C HA 1 ATOM 396 H HB2 . ARG A 1 27 ? 5.39805 -38.32031 30.96190 1.000 27.74391 ? 170 ARG C HB2 1 ATOM 397 H HB3 . ARG A 1 27 ? 5.56271 -37.11195 31.98080 1.000 27.74391 ? 170 ARG C HB3 1 ATOM 398 H HG2 . ARG A 1 27 ? 5.93676 -35.65026 30.32138 1.000 27.73506 ? 170 ARG C HG2 1 ATOM 399 H HG3 . ARG A 1 27 ? 6.15267 -36.81250 29.25931 1.000 27.73506 ? 170 ARG C HG3 1 ATOM 400 H HD2 . ARG A 1 27 ? 3.91484 -37.29380 29.23965 1.000 26.80704 ? 170 ARG C HD2 1 ATOM 401 H HD3 . ARG A 1 27 ? 3.64874 -36.31559 30.46345 1.000 26.80704 ? 170 ARG C HD3 1 ATOM 402 H HE . ARG A 1 27 ? 4.55736 -34.77667 28.64685 1.000 27.35254 ? 170 ARG C HE 1 ATOM 403 H HH11 . ARG A 1 27 ? 1.14981 -35.98246 27.59136 1.000 27.31685 ? 170 ARG C HH11 1 ATOM 404 H HH12 . ARG A 1 27 ? 1.93023 -36.79550 28.56538 1.000 27.31685 ? 170 ARG C HH12 1 ATOM 405 H HH21 . ARG A 1 27 ? 3.32912 -33.55922 27.21068 1.000 29.13969 ? 170 ARG C HH21 1 ATOM 406 H HH22 . ARG A 1 27 ? 1.98742 -34.03920 26.77679 1.000 29.13969 ? 170 ARG C HH22 1 ATOM 407 N N . SER A 1 28 ? 9.08573 -36.34202 30.62796 1.000 24.93050 ? 171 SER C N 1 ATOM 408 C CA . SER A 1 28 ? 10.11432 -35.31820 30.81729 1.000 27.04845 ? 171 SER C CA 1 ATOM 409 C C . SER A 1 28 ? 9.57252 -33.90103 30.72432 1.000 26.75909 ? 171 SER C C 1 ATOM 410 O O . SER A 1 28 ? 10.13947 -32.98790 31.33463 1.000 28.10278 ? 171 SER C O 1 ATOM 411 C CB . SER A 1 28 ? 11.21547 -35.47898 29.76840 1.000 27.50996 ? 171 SER C CB 1 ATOM 412 O OG . SER A 1 28 ? 10.69179 -35.31771 28.45256 1.000 28.79210 ? 171 SER C OG 1 ATOM 413 H H . SER A 1 28 ? 9.08811 -36.70398 29.84784 1.000 29.91337 ? 171 SER C H 1 ATOM 414 H HA . SER A 1 28 ? 10.48736 -35.44539 31.70361 1.000 32.45491 ? 171 SER C HA 1 ATOM 415 H HB2 . SER A 1 28 ? 11.89745 -34.80633 29.92122 1.000 33.00872 ? 171 SER C HB2 1 ATOM 416 H HB3 . SER A 1 28 ? 11.60034 -36.36576 29.84834 1.000 33.00872 ? 171 SER C HB3 1 ATOM 417 H HG . SER A 1 28 ? 10.49414 -34.51235 28.31872 1.000 34.54729 ? 171 SER C HG 1 ATOM 418 N N . SER A 1 29 ? 8.51570 -33.68733 29.94235 1.000 27.65829 ? 172 SER C N 1 ATOM 419 C CA . SER A 1 29 ? 7.94472 -32.36241 29.76732 1.000 32.20108 ? 172 SER C CA 1 ATOM 420 C C . SER A 1 29 ? 6.46803 -32.52902 29.44775 1.000 30.25932 ? 172 SER C C 1 ATOM 421 O O . SER A 1 29 ? 6.06288 -33.50349 28.80211 1.000 29.00056 ? 172 SER C O 1 ATOM 422 C CB . SER A 1 29 ? 8.65875 -31.55416 28.67776 1.000 35.84838 ? 172 SER C CB 1 ATOM 423 O OG . SER A 1 29 ? 8.57486 -32.20356 27.42338 1.000 40.37316 ? 172 SER C OG 1 ATOM 424 H H . SER A 1 29 ? 8.10986 -34.30268 29.49937 1.000 33.18671 ? 172 SER C H 1 ATOM 425 H HA . SER A 1 29 ? 8.03042 -31.85441 30.58920 1.000 38.63806 ? 172 SER C HA 1 ATOM 426 H HB2 . SER A 1 29 ? 8.24105 -30.68142 28.60877 1.000 43.01483 ? 172 SER C HB2 1 ATOM 427 H HB3 . SER A 1 29 ? 9.59301 -31.45663 28.91969 1.000 43.01483 ? 172 SER C HB3 1 ATOM 428 H HG . SER A 1 29 ? 8.97942 -31.75473 26.83987 1.000 48.44456 ? 172 SER C HG 1 ATOM 429 N N . GLY A 1 30 ? 5.66665 -31.57944 29.93183 1.000 30.71884 ? 173 GLY C N 1 ATOM 430 C CA . GLY A 1 30 ? 4.22470 -31.73061 29.90488 1.000 31.60737 ? 173 GLY C CA 1 ATOM 431 C C . GLY A 1 30 ? 3.74039 -32.65144 31.00475 1.000 31.73304 ? 173 GLY C C 1 ATOM 432 O O . GLY A 1 30 ? 4.53671 -33.40655 31.56843 1.000 33.17304 ? 173 GLY C O 1 ATOM 433 H H . GLY A 1 30 ? 5.93910 -30.84151 30.27943 1.000 36.85937 ? 173 GLY C H 1 ATOM 434 H HA2 . GLY A 1 30 ? 3.80584 -30.86342 30.02077 1.000 37.92561 ? 173 GLY C HA2 1 ATOM 435 H HA3 . GLY A 1 30 ? 3.95368 -32.10053 29.05013 1.000 37.92561 ? 173 GLY C HA3 1 ATOM 436 N N . SER A 1 31 ? 2.44576 -32.62260 31.30935 1.000 32.74099 ? 174 SER C N 1 ATOM 437 C CA . SER A 1 31 ? 1.91197 -33.38341 32.42994 1.000 34.24441 ? 174 SER C CA 1 ATOM 438 C C . SER A 1 31 ? 1.57705 -34.80964 32.03597 1.000 29.51991 ? 174 SER C C 1 ATOM 439 O O . SER A 1 31 ? 0.96694 -35.05700 30.99154 1.000 27.57484 ? 174 SER C O 1 ATOM 440 C CB . SER A 1 31 ? 0.63916 -32.72349 32.94802 1.000 39.47539 ? 174 SER C CB 1 ATOM 441 O OG . SER A 1 31 ? 0.91341 -31.41682 33.41478 1.000 46.32763 ? 174 SER C OG 1 ATOM 442 H H . SER A 1 31 ? 1.85525 -32.16812 30.88000 1.000 39.28595 ? 174 SER C H 1 ATOM 443 H HA . SER A 1 31 ? 2.58601 -33.40732 33.12708 1.000 41.09006 ? 174 SER C HA 1 ATOM 444 H HB2 . SER A 1 31 ? -0.00810 -32.67346 32.22729 1.000 47.36724 ? 174 SER C HB2 1 ATOM 445 H HB3 . SER A 1 31 ? 0.28220 -33.25273 33.67835 1.000 47.36724 ? 174 SER C HB3 1 ATOM 446 H HG . SER A 1 31 ? 0.20900 -31.06062 33.70207 1.000 55.58992 ? 174 SER C HG 1 ATOM 447 N N . ILE A 1 32 ? 1.94682 -35.74882 32.90961 1.000 27.29190 ? 175 ILE C N 1 ATOM 448 C CA . ILE A 1 32 ? 1.64034 -37.15489 32.65885 1.000 25.89628 ? 175 ILE C CA 1 ATOM 449 C C . ILE A 1 32 ? 0.14441 -37.35770 32.46162 1.000 26.97092 ? 175 ILE C C 1 ATOM 450 O O . ILE A 1 32 ? -0.28282 -38.20448 31.66113 1.000 25.74507 ? 175 ILE C O 1 ATOM 451 C CB . ILE A 1 32 ? 2.20494 -38.02963 33.79208 1.000 26.27640 ? 175 ILE C CB 1 ATOM 452 C CG1 . ILE A 1 32 ? 2.12954 -39.50915 33.41997 1.000 26.45075 ? 175 ILE C CG1 1 ATOM 453 C CG2 . ILE A 1 32 ? 1.46282 -37.78303 35.10778 1.000 27.09062 ? 175 ILE C CG2 1 ATOM 454 C CD1 . ILE A 1 32 ? 3.22199 -39.97380 32.49514 1.000 26.01144 ? 175 ILE C CD1 1 ATOM 455 H H . ILE A 1 32 ? 2.36961 -35.59953 33.64348 1.000 32.74705 ? 175 ILE C H 1 ATOM 456 H HA . ILE A 1 32 ? 2.07405 -37.42357 31.83386 1.000 31.07230 ? 175 ILE C HA 1 ATOM 457 H HB . ILE A 1 32 ? 3.13481 -37.78163 33.91345 1.000 31.52845 ? 175 ILE C HB 1 ATOM 458 H HG12 . ILE A 1 32 ? 2.18907 -40.03593 34.23228 1.000 31.73767 ? 175 ILE C HG12 1 ATOM 459 H HG13 . ILE A 1 32 ? 1.28165 -39.67442 32.97876 1.000 31.73767 ? 175 ILE C HG13 1 ATOM 460 H HG21 . ILE A 1 32 ? 1.89415 -38.28990 35.81344 1.000 32.50552 ? 175 ILE C HG21 1 ATOM 461 H HG22 . ILE A 1 32 ? 1.49328 -36.83587 35.31481 1.000 32.50552 ? 175 ILE C HG22 1 ATOM 462 H HG23 . ILE A 1 32 ? 0.54168 -38.07068 35.00951 1.000 32.50552 ? 175 ILE C HG23 1 ATOM 463 H HD11 . ILE A 1 32 ? 3.14765 -40.93354 32.37565 1.000 31.21050 ? 175 ILE C HD11 1 ATOM 464 H HD12 . ILE A 1 32 ? 3.12420 -39.52551 31.64052 1.000 31.21050 ? 175 ILE C HD12 1 ATOM 465 H HD13 . ILE A 1 32 ? 4.08188 -39.75489 32.88702 1.000 31.21050 ? 175 ILE C HD13 1 ATOM 466 N N . GLY A 1 33 ? -0.67523 -36.57802 33.16896 1.000 28.08296 ? 176 GLY C N 1 ATOM 467 C CA . GLY A 1 33 ? -2.11071 -36.71808 33.04439 1.000 28.04154 ? 176 GLY C CA 1 ATOM 468 C C . GLY A 1 33 ? -2.73303 -36.10138 31.80883 1.000 28.39896 ? 176 GLY C C 1 ATOM 469 O O . GLY A 1 33 ? -3.93426 -36.27753 31.59057 1.000 30.45755 ? 176 GLY C O 1 ATOM 470 H H . GLY A 1 33 ? -0.41994 -35.96909 33.71999 1.000 33.69633 ? 176 GLY C H 1 ATOM 471 H HA2 . GLY A 1 33 ? -2.32651 -37.66375 33.03775 1.000 33.64662 ? 176 GLY C HA2 1 ATOM 472 H HA3 . GLY A 1 33 ? -2.52674 -36.30464 33.81697 1.000 33.64662 ? 176 GLY C HA3 1 ATOM 473 N N . SER A 1 34 ? -1.94711 -35.40447 30.98710 1.000 26.06689 ? 177 SER C N 1 ATOM 474 C CA A SER A 1 34 ? -2.51065 -34.80259 29.79120 0.528 27.33628 ? 177 SER C CA 1 ATOM 475 C CA B SER A 1 34 ? -2.45058 -34.79532 29.76442 0.472 26.14408 ? 177 SER C CA 1 ATOM 476 C C . SER A 1 34 ? -2.72607 -35.82007 28.67510 1.000 25.36259 ? 177 SER C C 1 ATOM 477 O O . SER A 1 34 ? -3.42310 -35.50408 27.70451 1.000 26.04347 ? 177 SER C O 1 ATOM 478 C CB A SER A 1 34 ? -1.65402 -33.62102 29.31384 0.528 29.14693 ? 177 SER C CB 1 ATOM 479 C CB B SER A 1 34 ? -1.41321 -33.83312 29.18319 0.472 26.73685 ? 177 SER C CB 1 ATOM 480 O OG A SER A 1 34 ? -0.31290 -33.99637 29.07828 0.528 30.48419 ? 177 SER C OG 1 ATOM 481 O OG B SER A 1 34 ? -1.33899 -32.61631 29.88069 0.472 27.22927 ? 177 SER C OG 1 ATOM 482 H H A SER A 1 34 ? -1.10517 -35.27193 31.10188 0.528 31.27704 ? 177 SER C H 1 ATOM 483 H H B SER A 1 34 ? -1.10808 -35.26952 31.11905 0.472 31.27704 ? 177 SER C H 1 ATOM 484 H HA A SER A 1 34 ? -3.37805 -34.42542 30.00625 0.528 32.80031 ? 177 SER C HA 1 ATOM 485 H HA B SER A 1 34 ? -3.26362 -34.32026 29.99719 0.472 31.36967 ? 177 SER C HA 1 ATOM 486 H HB2 A SER A 1 34 ? -2.03020 -33.27841 28.48800 0.528 34.97309 ? 177 SER C HB2 1 ATOM 487 H HB2 B SER A 1 34 ? -0.54350 -34.26111 29.21965 0.472 32.08099 ? 177 SER C HB2 1 ATOM 488 H HB3 A SER A 1 34 ? -1.66826 -32.93158 29.99602 0.528 34.97309 ? 177 SER C HB3 1 ATOM 489 H HB3 B SER A 1 34 ? -1.65184 -33.64462 28.26209 0.472 32.08099 ? 177 SER C HB3 1 ATOM 490 H HG A SER A 1 34 ? 0.00599 -34.36680 29.76143 0.528 36.57780 ? 177 SER C HG 1 ATOM 491 H HG B SER A 1 34 ? -0.70015 -32.15598 29.58817 0.472 32.67190 ? 177 SER C HG 1 ATOM 492 N N . ASP A 1 35 ? -2.17219 -37.02865 28.79914 1.000 23.18952 ? 178 ASP C N 1 ATOM 493 C CA . ASP A 1 35 ? -2.26719 -38.04222 27.75127 1.000 21.14647 ? 178 ASP C CA 1 ATOM 494 C C . ASP A 1 35 ? -2.24345 -39.43247 28.36810 1.000 20.36933 ? 178 ASP C C 1 ATOM 495 O O . ASP A 1 35 ? -1.46394 -39.70760 29.28711 1.000 21.21211 ? 178 ASP C O 1 ATOM 496 C CB . ASP A 1 35 ? -1.10980 -37.93312 26.75718 1.000 20.56506 ? 178 ASP C CB 1 ATOM 497 C CG . ASP A 1 35 ? -1.16054 -36.66335 25.95540 1.000 22.01915 ? 178 ASP C CG 1 ATOM 498 O OD1 . ASP A 1 35 ? -1.94722 -36.60031 24.98176 1.000 23.02484 ? 178 ASP C OD1 1 ATOM 499 O OD2 . ASP A 1 35 ? -0.40616 -35.72142 26.30431 1.000 23.40994 -1 178 ASP C OD2 1 ATOM 500 H H . ASP A 1 35 ? -1.73079 -37.28723 29.49044 1.000 27.82420 ? 178 ASP C H 1 ATOM 501 H HA . ASP A 1 35 ? -3.10981 -37.91970 27.28663 1.000 25.37253 ? 178 ASP C HA 1 ATOM 502 H HB2 . ASP A 1 35 ? -0.27088 -37.94887 27.24387 1.000 24.67484 ? 178 ASP C HB2 1 ATOM 503 H HB3 . ASP A 1 35 ? -1.14964 -38.68073 26.14043 1.000 24.67484 ? 178 ASP C HB3 1 ATOM 504 N N . TYR A 1 36 ? -3.08447 -40.31417 27.84400 1.000 20.00428 ? 179 TYR C N 1 ATOM 505 C CA . TYR A 1 36 ? -3.16093 -41.66849 28.36999 1.000 20.55905 ? 179 TYR C CA 1 ATOM 506 C C . TYR A 1 36 ? -1.79413 -42.33123 28.28562 1.000 20.45191 ? 179 TYR C C 1 ATOM 507 O O . TYR A 1 36 ? -1.01078 -42.07216 27.35871 1.000 20.05520 ? 179 TYR C O 1 ATOM 508 C CB . TYR A 1 36 ? -4.13123 -42.52510 27.53803 1.000 23.03953 ? 179 TYR C CB 1 ATOM 509 C CG . TYR A 1 36 ? -5.54464 -42.05285 27.53027 1.000 25.23557 ? 179 TYR C CG 1 ATOM 510 C CD1 . TYR A 1 36 ? -6.26243 -41.91737 28.70600 1.000 26.47849 ? 179 TYR C CD1 1 ATOM 511 C CD2 . TYR A 1 36 ? -6.17982 -41.75877 26.32933 1.000 27.26031 ? 179 TYR C CD2 1 ATOM 512 C CE1 . TYR A 1 36 ? -7.57846 -41.48401 28.69186 1.000 28.40718 ? 179 TYR C CE1 1 ATOM 513 C CE2 . TYR A 1 36 ? -7.48934 -41.32295 26.29861 1.000 28.06154 ? 179 TYR C CE2 1 ATOM 514 C CZ . TYR A 1 36 ? -8.18076 -41.19409 27.47761 1.000 27.59431 ? 179 TYR C CZ 1 ATOM 515 O OH . TYR A 1 36 ? -9.48906 -40.76477 27.45033 1.000 29.65519 ? 179 TYR C OH 1 ATOM 516 H H . TYR A 1 36 ? -3.61764 -40.15477 27.18832 1.000 24.00191 ? 179 TYR C H 1 ATOM 517 H HA . TYR A 1 36 ? -3.47006 -41.62675 29.28847 1.000 24.66763 ? 179 TYR C HA 1 ATOM 518 H HB2 . TYR A 1 36 ? -3.82256 -42.53229 26.61848 1.000 27.64421 ? 179 TYR C HB2 1 ATOM 519 H HB3 . TYR A 1 36 ? -4.12839 -43.42662 27.89600 1.000 27.64421 ? 179 TYR C HB3 1 ATOM 520 H HD1 . TYR A 1 36 ? -5.85548 -42.12017 29.51727 1.000 31.77096 ? 179 TYR C HD1 1 ATOM 521 H HD2 . TYR A 1 36 ? -5.71341 -41.85756 25.53083 1.000 32.70914 ? 179 TYR C HD2 1 ATOM 522 H HE1 . TYR A 1 36 ? -8.05155 -41.38888 29.48687 1.000 34.08539 ? 179 TYR C HE1 1 ATOM 523 H HE2 . TYR A 1 36 ? -7.89838 -41.11901 25.48867 1.000 33.67062 ? 179 TYR C HE2 1 ATOM 524 H HH . TYR A 1 36 ? -9.78007 -40.68017 28.23375 1.000 35.58299 ? 179 TYR C HH 1 ATOM 525 N N . VAL A 1 37 ? -1.52346 -43.20944 29.24897 1.000 19.59900 ? 180 VAL C N 1 ATOM 526 C CA . VAL A 1 37 ? -0.35398 -44.07729 29.23267 1.000 17.77859 ? 180 VAL C CA 1 ATOM 527 C C . VAL A 1 37 ? -0.82992 -45.52469 29.16076 1.000 19.19723 ? 180 VAL C C 1 ATOM 528 O O . VAL A 1 37 ? -1.74982 -45.93077 29.89195 1.000 20.15120 ? 180 VAL C O 1 ATOM 529 C CB . VAL A 1 37 ? 0.56866 -43.84295 30.44232 1.000 19.62114 ? 180 VAL C CB 1 ATOM 530 C CG1 . VAL A 1 37 ? 1.79017 -44.72931 30.32806 1.000 21.79797 ? 180 VAL C CG1 1 ATOM 531 C CG2 . VAL A 1 37 ? 0.94770 -42.38048 30.50467 1.000 22.41887 ? 180 VAL C CG2 1 ATOM 532 H H . VAL A 1 37 ? -2.01958 -43.32208 29.94236 1.000 23.51557 ? 180 VAL C H 1 ATOM 533 H HA . VAL A 1 37 ? 0.16526 -43.89234 28.43450 1.000 21.33108 ? 180 VAL C HA 1 ATOM 534 H HB . VAL A 1 37 ? 0.11415 -44.07136 31.26825 1.000 23.54214 ? 180 VAL C HB 1 ATOM 535 H HG11 . VAL A 1 37 ? 2.43549 -44.46623 31.00279 1.000 26.15433 ? 180 VAL C HG11 1 ATOM 536 H HG12 . VAL A 1 37 ? 1.52482 -45.65205 30.46610 1.000 26.15433 ? 180 VAL C HG12 1 ATOM 537 H HG13 . VAL A 1 37 ? 2.17482 -44.62449 29.44378 1.000 26.15433 ? 180 VAL C HG13 1 ATOM 538 H HG21 . VAL A 1 37 ? 1.53995 -42.23966 31.25985 1.000 26.89942 ? 180 VAL C HG21 1 ATOM 539 H HG22 . VAL A 1 37 ? 1.39785 -42.13553 29.68110 1.000 26.89942 ? 180 VAL C HG22 1 ATOM 540 H HG23 . VAL A 1 37 ? 0.14280 -41.84993 30.61211 1.000 26.89942 ? 180 VAL C HG23 1 ATOM 541 N N . HIS A 1 38 ? -0.22142 -46.29212 28.25070 1.000 18.75966 ? 181 HIS C N 1 ATOM 542 C CA . HIS A 1 38 ? -0.48631 -47.71089 28.08862 1.000 17.56887 ? 181 HIS C CA 1 ATOM 543 C C . HIS A 1 38 ? 0.81138 -48.46287 28.30607 1.000 16.86495 ? 181 HIS C C 1 ATOM 544 O O . HIS A 1 38 ? 1.90171 -47.89266 28.22782 1.000 18.39852 ? 181 HIS C O 1 ATOM 545 C CB . HIS A 1 38 ? -1.00949 -48.03004 26.67410 1.000 18.14683 ? 181 HIS C CB 1 ATOM 546 C CG . HIS A 1 38 ? -1.88964 -46.95482 26.11978 1.000 17.73142 ? 181 HIS C CG 1 ATOM 547 N ND1 . HIS A 1 38 ? -3.16721 -46.71822 26.58300 1.000 18.41141 ? 181 HIS C ND1 1 ATOM 548 C CD2 . HIS A 1 38 ? -1.66872 -46.05654 25.13048 1.000 16.97921 ? 181 HIS C CD2 1 ATOM 549 C CE1 . HIS A 1 38 ? -3.68596 -45.70864 25.90650 1.000 17.51895 ? 181 HIS C CE1 1 ATOM 550 N NE2 . HIS A 1 38 ? -2.79284 -45.28522 25.02513 1.000 17.88896 ? 181 HIS C NE2 1 ATOM 551 H H . HIS A 1 38 ? 0.36861 -45.99601 27.69953 1.000 22.50836 ? 181 HIS C H 1 ATOM 552 H HA . HIS A 1 38 ? -1.15318 -47.99721 28.73221 1.000 21.07941 ? 181 HIS C HA 1 ATOM 553 H HB2 . HIS A 1 38 ? -0.25368 -48.13630 26.07548 1.000 21.77297 ? 181 HIS C HB2 1 ATOM 554 H HB3 . HIS A 1 38 ? -1.52473 -48.85123 26.70691 1.000 21.77297 ? 181 HIS C HB3 1 ATOM 555 H HD2 . HIS A 1 38 ? -0.89638 -45.97883 24.61828 1.000 20.37182 ? 181 HIS C HD2 1 ATOM 556 H HE1 . HIS A 1 38 ? -4.53702 -45.35425 26.02899 1.000 21.01951 ? 181 HIS C HE1 1 ATOM 557 H HE2 . HIS A 1 38 ? -2.90198 -44.63210 24.47638 1.000 21.46352 ? 181 HIS C HE2 1 ATOM 558 N N . TRP A 1 39 ? 0.68097 -49.76074 28.56136 1.000 16.84685 ? 182 TRP C N 1 ATOM 559 C CA . TRP A 1 39 ? 1.82660 -50.60387 28.86741 1.000 17.66899 ? 182 TRP C CA 1 ATOM 560 C C . TRP A 1 39 ? 1.75550 -51.90099 28.08259 1.000 17.06346 ? 182 TRP C C 1 ATOM 561 O O . TRP A 1 39 ? 0.70745 -52.55135 28.03330 1.000 18.14472 ? 182 TRP C O 1 ATOM 562 C CB . TRP A 1 39 ? 1.82916 -50.94814 30.34479 1.000 19.01585 ? 182 TRP C CB 1 ATOM 563 C CG . TRP A 1 39 ? 2.08567 -49.83983 31.25995 1.000 18.78187 ? 182 TRP C CG 1 ATOM 564 C CD1 . TRP A 1 39 ? 1.16168 -49.03724 31.85581 1.000 18.82034 ? 182 TRP C CD1 1 ATOM 565 C CD2 . TRP A 1 39 ? 3.35576 -49.42617 31.73457 1.000 19.29252 ? 182 TRP C CD2 1 ATOM 566 N NE1 . TRP A 1 39 ? 1.78525 -48.13353 32.68362 1.000 20.19505 ? 182 TRP C NE1 1 ATOM 567 C CE2 . TRP A 1 39 ? 3.13651 -48.35538 32.62492 1.000 18.84926 ? 182 TRP C CE2 1 ATOM 568 C CE3 . TRP A 1 39 ? 4.67118 -49.85545 31.49272 1.000 19.47275 ? 182 TRP C CE3 1 ATOM 569 C CZ2 . TRP A 1 39 ? 4.18547 -47.72142 33.29716 1.000 20.12263 ? 182 TRP C CZ2 1 ATOM 570 C CZ3 . TRP A 1 39 ? 5.70817 -49.21654 32.14552 1.000 19.47361 ? 182 TRP C CZ3 1 ATOM 571 C CH2 . TRP A 1 39 ? 5.45457 -48.15630 33.03756 1.000 19.84625 ? 182 TRP C CH2 1 ATOM 572 H H . TRP A 1 39 ? -0.07064 -50.17869 28.56271 1.000 20.21299 ? 182 TRP C H 1 ATOM 573 H HA . TRP A 1 39 ? 2.63760 -50.13560 28.61462 1.000 21.19956 ? 182 TRP C HA 1 ATOM 574 H HB2 . TRP A 1 39 ? 0.95949 -51.31228 30.57276 1.000 22.81579 ? 182 TRP C HB2 1 ATOM 575 H HB3 . TRP A 1 39 ? 2.51824 -51.61295 30.49999 1.000 22.81579 ? 182 TRP C HB3 1 ATOM 576 H HD1 . TRP A 1 39 ? 0.24292 -49.09211 31.72251 1.000 22.58118 ? 182 TRP C HD1 1 ATOM 577 H HE1 . TRP A 1 39 ? 1.39410 -47.53175 33.15739 1.000 24.23083 ? 182 TRP C HE1 1 ATOM 578 H HE3 . TRP A 1 39 ? 4.84088 -50.55583 30.90487 1.000 23.36407 ? 182 TRP C HE3 1 ATOM 579 H HZ2 . TRP A 1 39 ? 4.02565 -47.02998 33.89822 1.000 24.14392 ? 182 TRP C HZ2 1 ATOM 580 H HZ3 . TRP A 1 39 ? 6.58409 -49.48988 31.99405 1.000 23.36511 ? 182 TRP C HZ3 1 ATOM 581 H HH2 . TRP A 1 39 ? 6.17056 -47.74088 33.46146 1.000 23.81227 ? 182 TRP C HH2 1 ATOM 582 N N . TYR A 1 40 ? 2.88544 -52.28367 27.50482 1.000 17.83495 ? 183 TYR C N 1 ATOM 583 C CA . TYR A 1 40 ? 3.00436 -53.49737 26.72675 1.000 18.02420 ? 183 TYR C CA 1 ATOM 584 C C . TYR A 1 40 ? 4.04034 -54.41153 27.34744 1.000 18.64909 ? 183 TYR C C 1 ATOM 585 O O . TYR A 1 40 ? 5.03844 -53.95580 27.91173 1.000 19.80406 ? 183 TYR C O 1 ATOM 586 C CB . TYR A 1 40 ? 3.45775 -53.19124 25.28215 1.000 18.76708 ? 183 TYR C CB 1 ATOM 587 C CG . TYR A 1 40 ? 2.56450 -52.21413 24.56813 1.000 17.40482 ? 183 TYR C CG 1 ATOM 588 C CD1 . TYR A 1 40 ? 1.37611 -52.63016 24.00628 1.000 18.20222 ? 183 TYR C CD1 1 ATOM 589 C CD2 . TYR A 1 40 ? 2.90338 -50.89485 24.47889 1.000 18.42245 ? 183 TYR C CD2 1 ATOM 590 C CE1 . TYR A 1 40 ? 0.55497 -51.73899 23.36383 1.000 18.15602 ? 183 TYR C CE1 1 ATOM 591 C CE2 . TYR A 1 40 ? 2.09182 -49.98635 23.82831 1.000 18.28824 ? 183 TYR C CE2 1 ATOM 592 C CZ . TYR A 1 40 ? 0.90896 -50.42387 23.29683 1.000 17.94144 ? 183 TYR C CZ 1 ATOM 593 O OH . TYR A 1 40 ? 0.09080 -49.53160 22.65875 1.000 19.04767 ? 183 TYR C OH 1 ATOM 594 H H . TYR A 1 40 ? 3.61963 -51.83848 27.55354 1.000 21.39871 ? 183 TYR C H 1 ATOM 595 H HA . TYR A 1 40 ? 2.14330 -53.94377 26.71290 1.000 21.62581 ? 183 TYR C HA 1 ATOM 596 H HB2 . TYR A 1 40 ? 4.35086 -52.81362 25.30785 1.000 22.51726 ? 183 TYR C HB2 1 ATOM 597 H HB3 . TYR A 1 40 ? 3.46131 -54.01723 24.77360 1.000 22.51726 ? 183 TYR C HB3 1 ATOM 598 H HD1 . TYR A 1 40 ? 1.12861 -53.52479 24.06355 1.000 21.83943 ? 183 TYR C HD1 1 ATOM 599 H HD2 . TYR A 1 40 ? 3.69739 -50.60167 24.86426 1.000 22.10371 ? 183 TYR C HD2 1 ATOM 600 H HE1 . TYR A 1 40 ? -0.23869 -52.03001 22.97613 1.000 21.78400 ? 183 TYR C HE1 1 ATOM 601 H HE2 . TYR A 1 40 ? 2.34423 -49.09444 23.75282 1.000 21.94265 ? 183 TYR C HE2 1 ATOM 602 H HH . TYR A 1 40 ? 0.45866 -48.77714 22.62592 1.000 22.85397 ? 183 TYR C HH 1 ATOM 603 N N . GLN A 1 41 ? 3.77846 -55.69881 27.22433 1.000 17.94160 ? 184 GLN C N 1 ATOM 604 C CA . GLN A 1 41 ? 4.71747 -56.75845 27.54693 1.000 18.65783 ? 184 GLN C CA 1 ATOM 605 C C . GLN A 1 41 ? 5.25947 -57.32028 26.25014 1.000 18.06251 ? 184 GLN C C 1 ATOM 606 O O . GLN A 1 41 ? 4.49012 -57.59349 25.33492 1.000 17.96415 ? 184 GLN C O 1 ATOM 607 C CB . GLN A 1 41 ? 3.99335 -57.86654 28.30088 1.000 20.18827 ? 184 GLN C CB 1 ATOM 608 C CG . GLN A 1 41 ? 4.88896 -59.00615 28.75242 1.000 20.41460 ? 184 GLN C CG 1 ATOM 609 C CD . GLN A 1 41 ? 4.09603 -60.19119 29.25258 1.000 20.27678 ? 184 GLN C CD 1 ATOM 610 O OE1 . GLN A 1 41 ? 3.43534 -60.87902 28.47566 1.000 23.28710 ? 184 GLN C OE1 1 ATOM 611 N NE2 . GLN A 1 41 ? 4.13329 -60.42754 30.56795 1.000 22.60041 ? 184 GLN C NE2 1 ATOM 612 H H . GLN A 1 41 ? 3.02472 -56.00103 26.94125 1.000 21.52669 ? 184 GLN C H 1 ATOM 613 H HA . GLN A 1 41 ? 5.44792 -56.42542 28.09139 1.000 22.38616 ? 184 GLN C HA 1 ATOM 614 H HB2 . GLN A 1 41 ? 3.58252 -57.48485 29.09236 1.000 24.22269 ? 184 GLN C HB2 1 ATOM 615 H HB3 . GLN A 1 41 ? 3.31178 -58.24096 27.72108 1.000 24.22269 ? 184 GLN C HB3 1 ATOM 616 H HG2 . GLN A 1 41 ? 5.43206 -59.29977 28.00427 1.000 24.49429 ? 184 GLN C HG2 1 ATOM 617 H HG3 . GLN A 1 41 ? 5.45817 -58.69678 29.47435 1.000 24.49429 ? 184 GLN C HG3 1 ATOM 618 H HE21 . GLN A 1 41 ? 4.59328 -59.91590 31.08391 1.000 27.11726 ? 184 GLN C HE21 1 ATOM 619 H HE22 . GLN A 1 41 ? 3.69725 -61.09122 30.89810 1.000 27.11726 ? 184 GLN C HE22 1 ATOM 620 N N . GLN A 1 42 ? 6.56807 -57.54647 26.19810 1.000 18.33009 ? 185 GLN C N 1 ATOM 621 C CA . GLN A 1 42 ? 7.17567 -58.16713 25.02405 1.000 17.78830 ? 185 GLN C CA 1 ATOM 622 C C . GLN A 1 42 ? 8.12555 -59.26652 25.49020 1.000 20.27672 ? 185 GLN C C 1 ATOM 623 O O . GLN A 1 42 ? 9.18451 -58.98070 26.06899 1.000 20.45537 ? 185 GLN C O 1 ATOM 624 C CB . GLN A 1 42 ? 7.92418 -57.14845 24.16139 1.000 18.70158 ? 185 GLN C CB 1 ATOM 625 C CG . GLN A 1 42 ? 8.40724 -57.77095 22.87164 1.000 20.58150 ? 185 GLN C CG 1 ATOM 626 C CD . GLN A 1 42 ? 9.21750 -56.82523 22.04031 1.000 22.26872 ? 185 GLN C CD 1 ATOM 627 O OE1 . GLN A 1 42 ? 9.89271 -55.94298 22.57603 1.000 21.91515 ? 185 GLN C OE1 1 ATOM 628 N NE2 . GLN A 1 42 ? 9.16635 -57.00109 20.72234 1.000 22.24353 ? 185 GLN C NE2 1 ATOM 629 H H . GLN A 1 42 ? 7.12212 -57.35076 26.82605 1.000 21.99288 ? 185 GLN C H 1 ATOM 630 H HA . GLN A 1 42 ? 6.47190 -58.56745 24.48986 1.000 21.34273 ? 185 GLN C HA 1 ATOM 631 H HB2 . GLN A 1 42 ? 7.32970 -56.41365 23.94331 1.000 22.43867 ? 185 GLN C HB2 1 ATOM 632 H HB3 . GLN A 1 42 ? 8.69449 -56.81824 24.64975 1.000 22.43867 ? 185 GLN C HB3 1 ATOM 633 H HG2 . GLN A 1 42 ? 8.96238 -58.53871 23.07964 1.000 24.69457 ? 185 GLN C HG2 1 ATOM 634 H HG3 . GLN A 1 42 ? 7.63961 -58.04878 22.34775 1.000 24.69457 ? 185 GLN C HG3 1 ATOM 635 H HE21 . GLN A 1 42 ? 8.68536 -57.63238 20.39111 1.000 26.68901 ? 185 GLN C HE21 1 ATOM 636 H HE22 . GLN A 1 42 ? 9.61428 -56.48345 20.20176 1.000 26.68901 ? 185 GLN C HE22 1 ATOM 637 N N . ARG A 1 43 ? 7.77965 -60.50640 25.19581 1.000 22.08674 ? 186 ARG C N 1 ATOM 638 C CA . ARG A 1 43 ? 8.66455 -61.62777 25.47880 1.000 28.10094 ? 186 ARG C CA 1 ATOM 639 C C . ARG A 1 43 ? 9.65731 -61.81572 24.34984 1.000 29.64773 ? 186 ARG C C 1 ATOM 640 O O . ARG A 1 43 ? 9.39968 -61.42663 23.22036 1.000 26.66622 ? 186 ARG C O 1 ATOM 641 C CB . ARG A 1 43 ? 7.84771 -62.90562 25.61545 1.000 33.39563 ? 186 ARG C CB 1 ATOM 642 C CG . ARG A 1 43 ? 6.72083 -62.80367 26.59653 1.000 39.07687 ? 186 ARG C CG 1 ATOM 643 C CD . ARG A 1 43 ? 5.86425 -64.05134 26.55718 1.000 46.84836 ? 186 ARG C CD 1 ATOM 644 N NE . ARG A 1 43 ? 4.84323 -64.00093 27.59318 1.000 44.07715 ? 186 ARG C NE 1 ATOM 645 C CZ . ARG A 1 43 ? 5.10059 -64.07264 28.88995 1.000 40.48937 ? 186 ARG C CZ 1 ATOM 646 N NH1 . ARG A 1 43 ? 6.33867 -64.21033 29.33781 1.000 41.19352 ? 186 ARG C NH1 1 ATOM 647 N NH2 . ARG A 1 43 ? 4.09086 -63.99037 29.75819 1.000 41.51982 ? 186 ARG C NH2 1 ATOM 648 H H . ARG A 1 43 ? 7.03404 -60.72889 24.82953 1.000 26.50086 ? 186 ARG C H 1 ATOM 649 H HA . ARG A 1 43 ? 9.14346 -61.45925 26.30532 1.000 33.71790 ? 186 ARG C HA 1 ATOM 650 H HB2 . ARG A 1 43 ? 7.46758 -63.12595 24.75066 1.000 40.07153 ? 186 ARG C HB2 1 ATOM 651 H HB3 . ARG A 1 43 ? 8.43383 -63.61944 25.91180 1.000 40.07153 ? 186 ARG C HB3 1 ATOM 652 H HG2 . ARG A 1 43 ? 7.07865 -62.70333 27.49251 1.000 46.88901 ? 186 ARG C HG2 1 ATOM 653 H HG3 . ARG A 1 43 ? 6.16479 -62.04066 26.37397 1.000 46.88901 ? 186 ARG C HG3 1 ATOM 654 H HD2 . ARG A 1 43 ? 5.42633 -64.11781 25.69422 1.000 56.21480 ? 186 ARG C HD2 1 ATOM 655 H HD3 . ARG A 1 43 ? 6.41993 -64.83193 26.70822 1.000 56.21480 ? 186 ARG C HD3 1 ATOM 656 H HE . ARG A 1 43 ? 4.02290 -63.91962 27.34813 1.000 52.88935 ? 186 ARG C HE 1 ATOM 657 H HH11 . ARG A 1 43 ? 6.48747 -64.25523 30.18365 1.000 49.42900 ? 186 ARG C HH11 1 ATOM 658 H HH12 . ARG A 1 43 ? 6.99420 -64.25489 28.78293 1.000 49.42900 ? 186 ARG C HH12 1 ATOM 659 H HH21 . ARG A 1 43 ? 3.28549 -63.89208 29.47304 1.000 49.82055 ? 186 ARG C HH21 1 ATOM 660 H HH22 . ARG A 1 43 ? 4.24540 -64.03564 30.60298 1.000 49.82055 ? 186 ARG C HH22 1 ATOM 661 N N . PRO A 1 44 ? 10.80340 -62.42938 24.62731 1.000 33.47528 ? 187 PRO C N 1 ATOM 662 C CA . PRO A 1 44 ? 11.81142 -62.60984 23.57509 1.000 35.92191 ? 187 PRO C CA 1 ATOM 663 C C . PRO A 1 44 ? 11.25685 -63.35414 22.37166 1.000 34.94839 ? 187 PRO C C 1 ATOM 664 O O . PRO A 1 44 ? 10.62642 -64.40236 22.50342 1.000 35.44405 ? 187 PRO C O 1 ATOM 665 C CB . PRO A 1 44 ? 12.91837 -63.42075 24.26533 1.000 38.12438 ? 187 PRO C CB 1 ATOM 666 C CG . PRO A 1 44 ? 12.66859 -63.31237 25.73600 1.000 36.99687 ? 187 PRO C CG 1 ATOM 667 C CD . PRO A 1 44 ? 11.34847 -62.64118 25.98274 1.000 36.49351 ? 187 PRO C CD 1 ATOM 668 H HA . PRO A 1 44 ? 12.15128 -61.74518 23.29624 1.000 43.10306 ? 187 PRO C HA 1 ATOM 669 H HB2 . PRO A 1 44 ? 12.86991 -64.34585 23.97766 1.000 45.74602 ? 187 PRO C HB2 1 ATOM 670 H HB3 . PRO A 1 44 ? 13.78405 -63.04730 24.03722 1.000 45.74602 ? 187 PRO C HB3 1 ATOM 671 H HG2 . PRO A 1 44 ? 12.65927 -64.20489 26.11575 1.000 44.39301 ? 187 PRO C HG2 1 ATOM 672 H HG3 . PRO A 1 44 ? 13.38220 -62.78981 26.13424 1.000 44.39301 ? 187 PRO C HG3 1 ATOM 673 H HD2 . PRO A 1 44 ? 10.76353 -63.21448 26.50242 1.000 43.78898 ? 187 PRO C HD2 1 ATOM 674 H HD3 . PRO A 1 44 ? 11.47371 -61.79426 26.43875 1.000 43.78898 ? 187 PRO C HD3 1 ATOM 675 N N . GLY A 1 45 ? 11.52424 -62.81768 21.19025 1.000 34.12553 ? 188 GLY C N 1 ATOM 676 C CA . GLY A 1 45 ? 11.09439 -63.46029 19.97269 1.000 33.67416 ? 188 GLY C CA 1 ATOM 677 C C . GLY A 1 45 ? 9.62510 -63.31655 19.67129 1.000 30.81600 ? 188 GLY C C 1 ATOM 678 O O . GLY A 1 45 ? 9.12598 -63.98048 18.75021 1.000 32.36814 ? 188 GLY C O 1 ATOM 679 H H . GLY A 1 45 ? 11.95358 -62.08180 21.07302 1.000 40.94740 ? 188 GLY C H 1 ATOM 680 H HA2 . GLY A 1 45 ? 11.58839 -63.08082 19.22914 1.000 40.40576 ? 188 GLY C HA2 1 ATOM 681 H HA3 . GLY A 1 45 ? 11.29358 -64.40767 20.03351 1.000 40.40576 ? 188 GLY C HA3 1 ATOM 682 N N . SER A 1 46 ? 8.91751 -62.46506 20.40775 1.000 29.99763 ? 189 SER C N 1 ATOM 683 C CA . SER A 1 46 ? 7.48526 -62.28117 20.23202 1.000 29.05280 ? 189 SER C CA 1 ATOM 684 C C . SER A 1 46 ? 7.12128 -60.81198 20.06543 1.000 24.63846 ? 189 SER C C 1 ATOM 685 O O . SER A 1 46 ? 7.88377 -59.90269 20.40783 1.000 23.07624 ? 189 SER C O 1 ATOM 686 C CB . SER A 1 46 ? 6.70661 -62.79594 21.45198 1.000 30.91136 ? 189 SER C CB 1 ATOM 687 O OG . SER A 1 46 ? 6.92157 -64.19100 21.64882 1.000 34.67114 ? 189 SER C OG 1 ATOM 688 H H . SER A 1 46 ? 9.25396 -61.97338 21.02795 1.000 35.99392 ? 189 SER C H 1 ATOM 689 H HA . SER A 1 46 ? 7.23370 -62.75775 19.42549 1.000 34.86013 ? 189 SER C HA 1 ATOM 690 H HB2 . SER A 1 46 ? 7.00584 -62.31732 22.24082 1.000 37.09040 ? 189 SER C HB2 1 ATOM 691 H HB3 . SER A 1 46 ? 5.75982 -62.64079 21.30904 1.000 37.09040 ? 189 SER C HB3 1 ATOM 692 H HG . SER A 1 46 ? 6.53733 -64.44457 22.35143 1.000 41.60214 ? 189 SER C HG 1 ATOM 693 N N . SER A 1 47 ? 5.92134 -60.59698 19.54668 1.000 21.89602 ? 190 SER C N 1 ATOM 694 C CA . SER A 1 47 ? 5.38888 -59.25499 19.42632 1.000 19.88071 ? 190 SER C CA 1 ATOM 695 C C . SER A 1 47 ? 4.86625 -58.74541 20.76915 1.000 18.78151 ? 190 SER C C 1 ATOM 696 O O . SER A 1 47 ? 4.49266 -59.53302 21.64721 1.000 20.38441 ? 190 SER C O 1 ATOM 697 C CB . SER A 1 47 ? 4.24931 -59.24974 18.41612 1.000 21.02428 ? 190 SER C CB 1 ATOM 698 O OG . SER A 1 47 ? 4.72408 -59.77632 17.19870 1.000 22.94467 ? 190 SER C OG 1 ATOM 699 H H . SER A 1 47 ? 5.39639 -61.21357 19.25712 1.000 26.27199 ? 190 SER C H 1 ATOM 700 H HA . SER A 1 47 ? 6.08970 -58.65375 19.12923 1.000 23.85362 ? 190 SER C HA 1 ATOM 701 H HB2 . SER A 1 47 ? 3.52120 -59.79954 18.74547 1.000 25.22591 ? 190 SER C HB2 1 ATOM 702 H HB3 . SER A 1 47 ? 3.94205 -58.34007 18.27831 1.000 25.22591 ? 190 SER C HB3 1 ATOM 703 H HG . SER A 1 47 ? 4.13152 -59.71107 16.60692 1.000 27.53037 ? 190 SER C HG 1 ATOM 704 N N . PRO A 1 48 ? 4.85435 -57.42687 20.95368 1.000 18.18425 ? 191 PRO C N 1 ATOM 705 C CA . PRO A 1 48 ? 4.24501 -56.85987 22.16289 1.000 17.42732 ? 191 PRO C CA 1 ATOM 706 C C . PRO A 1 48 ? 2.76859 -57.20909 22.27811 1.000 18.33172 ? 191 PRO C C 1 ATOM 707 O O . PRO A 1 48 ? 2.06837 -57.39105 21.28639 1.000 19.88201 ? 191 PRO C O 1 ATOM 708 C CB . PRO A 1 48 ? 4.42031 -55.34712 21.96486 1.000 18.40237 ? 191 PRO C CB 1 ATOM 709 C CG . PRO A 1 48 ? 5.57381 -55.20653 21.03032 1.000 18.57264 ? 191 PRO C CG 1 ATOM 710 C CD . PRO A 1 48 ? 5.40836 -56.36793 20.09040 1.000 18.92254 ? 191 PRO C CD 1 ATOM 711 H HA . PRO A 1 48 ? 4.71904 -57.16525 22.95215 1.000 20.90955 ? 191 PRO C HA 1 ATOM 712 H HB2 . PRO A 1 48 ? 3.61413 -54.96980 21.57937 1.000 22.07962 ? 191 PRO C HB2 1 ATOM 713 H HB3 . PRO A 1 48 ? 4.61066 -54.92334 22.81637 1.000 22.07962 ? 191 PRO C HB3 1 ATOM 714 H HG2 . PRO A 1 48 ? 5.52287 -54.36106 20.55758 1.000 22.28394 ? 191 PRO C HG2 1 ATOM 715 H HG3 . PRO A 1 48 ? 6.41063 -55.26435 21.51745 1.000 22.28394 ? 191 PRO C HG3 1 ATOM 716 H HD2 . PRO A 1 48 ? 4.79141 -56.14783 19.37498 1.000 22.70382 ? 191 PRO C HD2 1 ATOM 717 H HD3 . PRO A 1 48 ? 6.26359 -56.63677 19.71999 1.000 22.70382 ? 191 PRO C HD3 1 ATOM 718 N N . THR A 1 49 ? 2.29987 -57.27065 23.50957 1.000 18.32944 ? 192 THR C N 1 ATOM 719 C CA . THR A 1 49 ? 0.88747 -57.36614 23.83567 1.000 19.96350 ? 192 THR C CA 1 ATOM 720 C C . THR A 1 49 ? 0.55791 -56.36105 24.93365 1.000 19.57652 ? 192 THR C C 1 ATOM 721 O O . THR A 1 49 ? 1.40148 -56.02972 25.76658 1.000 18.76522 ? 192 THR C O 1 ATOM 722 C CB . THR A 1 49 ? 0.48063 -58.78329 24.29632 1.000 22.20096 ? 192 THR C CB 1 ATOM 723 O OG1 . THR A 1 49 ? 1.08617 -59.08283 25.56439 1.000 22.75785 ? 192 THR C OG1 1 ATOM 724 C CG2 . THR A 1 49 ? 0.88319 -59.82964 23.28985 1.000 23.29111 ? 192 THR C CG2 1 ATOM 725 H H . THR A 1 49 ? 2.80218 -57.25833 24.20752 1.000 21.99209 ? 192 THR C H 1 ATOM 726 H HA . THR A 1 49 ? 0.36661 -57.15486 23.04513 1.000 23.95298 ? 192 THR C HA 1 ATOM 727 H HB . THR A 1 49 ? -0.48492 -58.81250 24.38443 1.000 26.63793 ? 192 THR C HB 1 ATOM 728 H HG1 . THR A 1 49 ? 0.82261 -58.53594 26.14495 1.000 27.30618 ? 192 THR C HG1 1 ATOM 729 H HG21 . THR A 1 49 ? 0.60859 -60.70796 23.59651 1.000 27.94611 ? 192 THR C HG21 1 ATOM 730 H HG22 . THR A 1 49 ? 0.46086 -59.64819 22.43567 1.000 27.94611 ? 192 THR C HG22 1 ATOM 731 H HG23 . THR A 1 49 ? 1.84604 -59.82399 23.17247 1.000 27.94611 ? 192 THR C HG23 1 ATOM 732 N N . THR A 1 50 ? -0.67576 -55.86434 24.93776 1.000 19.08043 ? 193 THR C N 1 ATOM 733 C CA . THR A 1 50 ? -1.07310 -54.87199 25.93695 1.000 19.18637 ? 193 THR C CA 1 ATOM 734 C C . THR A 1 50 ? -1.34732 -55.54550 27.26945 1.000 19.57025 ? 193 THR C C 1 ATOM 735 O O . THR A 1 50 ? -2.07057 -56.54127 27.32651 1.000 20.95934 ? 193 THR C O 1 ATOM 736 C CB . THR A 1 50 ? -2.33613 -54.13564 25.48849 1.000 20.81656 ? 193 THR C CB 1 ATOM 737 O OG1 . THR A 1 50 ? -2.11169 -53.54719 24.19954 1.000 21.36969 ? 193 THR C OG1 1 ATOM 738 C CG2 . THR A 1 50 ? -2.70362 -53.03919 26.46323 1.000 20.34957 ? 193 THR C CG2 1 ATOM 739 H H . THR A 1 50 ? -1.29418 -56.08149 24.38099 1.000 22.89328 ? 193 THR C H 1 ATOM 740 H HA . THR A 1 50 ? -0.35074 -54.23344 26.04347 1.000 23.02042 ? 193 THR C HA 1 ATOM 741 H HB . THR A 1 50 ? -3.07138 -54.76695 25.44670 1.000 24.97665 ? 193 THR C HB 1 ATOM 742 H HG1 . THR A 1 50 ? -1.65190 -52.84867 24.27875 1.000 25.64040 ? 193 THR C HG1 1 ATOM 743 H HG21 . THR A 1 50 ? -3.38974 -52.47071 26.07986 1.000 24.41625 ? 193 THR C HG21 1 ATOM 744 H HG22 . THR A 1 50 ? -3.03948 -53.42629 27.28680 1.000 24.41625 ? 193 THR C HG22 1 ATOM 745 H HG23 . THR A 1 50 ? -1.92349 -52.49903 26.66451 1.000 24.41625 ? 193 THR C HG23 1 ATOM 746 N N . VAL A 1 51 ? -0.78642 -54.98689 28.34755 1.000 19.13667 ? 194 VAL C N 1 ATOM 747 C CA . VAL A 1 51 ? -1.15002 -55.41214 29.68814 1.000 19.37385 ? 194 VAL C CA 1 ATOM 748 C C . VAL A 1 51 ? -2.00809 -54.38786 30.41635 1.000 19.49491 ? 194 VAL C C 1 ATOM 749 O O . VAL A 1 51 ? -2.85190 -54.78213 31.23424 1.000 21.35882 ? 194 VAL C O 1 ATOM 750 C CB . VAL A 1 51 ? 0.04467 -55.85895 30.56045 1.000 20.89544 ? 194 VAL C CB 1 ATOM 751 C CG1 . VAL A 1 51 ? 0.59337 -57.17556 30.03449 1.000 23.27204 ? 194 VAL C CG1 1 ATOM 752 C CG2 . VAL A 1 51 ? 1.13762 -54.80439 30.62646 1.000 21.27476 ? 194 VAL C CG2 1 ATOM 753 H H . VAL A 1 51 ? -0.19560 -54.36252 28.32128 1.000 22.96078 ? 194 VAL C H 1 ATOM 754 H HA . VAL A 1 51 ? -1.69080 -56.21017 29.58042 1.000 23.24539 ? 194 VAL C HA 1 ATOM 755 H HB . VAL A 1 51 ? -0.27002 -55.98294 31.46957 1.000 25.07129 ? 194 VAL C HB 1 ATOM 756 H HG11 . VAL A 1 51 ? 1.30110 -57.48057 30.62354 1.000 27.92321 ? 194 VAL C HG11 1 ATOM 757 H HG12 . VAL A 1 51 ? -0.12271 -57.82947 30.01155 1.000 27.92321 ? 194 VAL C HG12 1 ATOM 758 H HG13 . VAL A 1 51 ? 0.94366 -57.03713 29.14060 1.000 27.92321 ? 194 VAL C HG13 1 ATOM 759 H HG21 . VAL A 1 51 ? 1.77929 -55.05688 31.30866 1.000 25.52649 ? 194 VAL C HG21 1 ATOM 760 H HG22 . VAL A 1 51 ? 1.57668 -54.75016 29.76322 1.000 25.52649 ? 194 VAL C HG22 1 ATOM 761 H HG23 . VAL A 1 51 ? 0.73801 -53.94890 30.84864 1.000 25.52649 ? 194 VAL C HG23 1 ATOM 762 N N . ILE A 1 52 ? -1.81541 -53.09917 30.14863 1.000 19.75793 ? 195 ILE C N 1 ATOM 763 C CA . ILE A 1 52 ? -2.61956 -52.02315 30.71078 1.000 19.57629 ? 195 ILE C CA 1 ATOM 764 C C . ILE A 1 52 ? -2.84787 -51.00257 29.61257 1.000 19.37753 ? 195 ILE C C 1 ATOM 765 O O . ILE A 1 52 ? -1.92630 -50.68240 28.85460 1.000 20.57799 ? 195 ILE C O 1 ATOM 766 C CB . ILE A 1 52 ? -1.93597 -51.34688 31.91972 1.000 20.82360 ? 195 ILE C CB 1 ATOM 767 C CG1 . ILE A 1 52 ? -1.86122 -52.32349 33.10989 1.000 22.82937 ? 195 ILE C CG1 1 ATOM 768 C CG2 . ILE A 1 52 ? -2.69117 -50.05860 32.26439 1.000 21.46446 ? 195 ILE C CG2 1 ATOM 769 C CD1 . ILE A 1 52 ? -3.21597 -52.70146 33.67547 1.000 24.15362 ? 195 ILE C CD1 1 ATOM 770 H H . ILE A 1 52 ? -1.19866 -52.81320 29.62190 1.000 23.70629 ? 195 ILE C H 1 ATOM 771 H HA . ILE A 1 52 ? -3.46843 -52.38538 31.00928 1.000 23.48831 ? 195 ILE C HA 1 ATOM 772 H HB . ILE A 1 52 ? -1.02198 -51.11102 31.69638 1.000 24.98509 ? 195 ILE C HB 1 ATOM 773 H HG12 . ILE A 1 52 ? -1.42454 -53.13877 32.81743 1.000 27.39201 ? 195 ILE C HG12 1 ATOM 774 H HG13 . ILE A 1 52 ? -1.34837 -51.90934 33.82148 1.000 27.39201 ? 195 ILE C HG13 1 ATOM 775 H HG21 . ILE A 1 52 ? -2.38946 -49.73722 33.12845 1.000 25.75412 ? 195 ILE C HG21 1 ATOM 776 H HG22 . ILE A 1 52 ? -2.50903 -49.39360 31.58212 1.000 25.75412 ? 195 ILE C HG22 1 ATOM 777 H HG23 . ILE A 1 52 ? -3.64187 -50.24859 32.29568 1.000 25.75412 ? 195 ILE C HG23 1 ATOM 778 H HD11 . ILE A 1 52 ? -3.09438 -53.37427 34.36355 1.000 28.98112 ? 195 ILE C HD11 1 ATOM 779 H HD12 . ILE A 1 52 ? -3.63129 -51.91136 34.05514 1.000 28.98112 ? 195 ILE C HD12 1 ATOM 780 H HD13 . ILE A 1 52 ? -3.76892 -53.05498 32.96120 1.000 28.98112 ? 195 ILE C HD13 1 ATOM 781 N N . TYR A 1 53 ? -4.07627 -50.51076 29.50214 1.000 18.80439 ? 196 TYR C N 1 ATOM 782 C CA . TYR A 1 53 ? -4.34381 -49.40667 28.59431 1.000 20.31104 ? 196 TYR C CA 1 ATOM 783 C C . TYR A 1 53 ? -5.11264 -48.33139 29.34012 1.000 21.01059 ? 196 TYR C C 1 ATOM 784 O O . TYR A 1 53 ? -5.71864 -48.58690 30.38183 1.000 21.85661 ? 196 TYR C O 1 ATOM 785 C CB . TYR A 1 53 ? -5.11788 -49.84429 27.32570 1.000 21.55800 ? 196 TYR C CB 1 ATOM 786 C CG . TYR A 1 53 ? -6.51036 -50.33523 27.61688 1.000 22.21586 ? 196 TYR C CG 1 ATOM 787 C CD1 . TYR A 1 53 ? -6.73907 -51.65599 27.97398 1.000 22.70370 ? 196 TYR C CD1 1 ATOM 788 C CD2 . TYR A 1 53 ? -7.59832 -49.49001 27.50486 1.000 23.27188 ? 196 TYR C CD2 1 ATOM 789 C CE1 . TYR A 1 53 ? -8.02278 -52.11407 28.22846 1.000 24.59053 ? 196 TYR C CE1 1 ATOM 790 C CE2 . TYR A 1 53 ? -8.88097 -49.94461 27.76630 1.000 24.71502 ? 196 TYR C CE2 1 ATOM 791 C CZ . TYR A 1 53 ? -9.08512 -51.25258 28.11560 1.000 24.64473 ? 196 TYR C CZ 1 ATOM 792 O OH . TYR A 1 53 ? -10.36655 -51.69522 28.36326 1.000 27.15756 ? 196 TYR C OH 1 ATOM 793 H H . TYR A 1 53 ? -4.76053 -50.79712 29.93733 1.000 22.56204 ? 196 TYR C H 1 ATOM 794 H HA . TYR A 1 53 ? -3.50061 -49.03425 28.29230 1.000 24.37001 ? 196 TYR C HA 1 ATOM 795 H HB2 . TYR A 1 53 ? -5.18887 -49.08625 26.72467 1.000 25.86637 ? 196 TYR C HB2 1 ATOM 796 H HB3 . TYR A 1 53 ? -4.63197 -50.56486 26.89492 1.000 25.86637 ? 196 TYR C HB3 1 ATOM 797 H HD1 . TYR A 1 53 ? -6.02093 -52.24277 28.04371 1.000 27.24121 ? 196 TYR C HD1 1 ATOM 798 H HD2 . TYR A 1 53 ? -7.46782 -48.60496 27.25078 1.000 27.92303 ? 196 TYR C HD2 1 ATOM 799 H HE1 . TYR A 1 53 ? -8.16310 -52.99997 28.47422 1.000 29.50541 ? 196 TYR C HE1 1 ATOM 800 H HE2 . TYR A 1 53 ? -9.60281 -49.36150 27.70452 1.000 29.65480 ? 196 TYR C HE2 1 ATOM 801 H HH . TYR A 1 53 ? -10.90399 -51.05032 28.33377 1.000 32.58585 ? 196 TYR C HH 1 ATOM 802 N N . GLU A 1 54 ? -5.05114 -47.11690 28.81122 1.000 21.83662 ? 197 GLU C N 1 ATOM 803 C CA . GLU A 1 54 ? -5.81824 -46.00250 29.34041 1.000 23.52397 ? 197 GLU C CA 1 ATOM 804 C C . GLU A 1 54 ? -5.54465 -45.84398 30.83139 1.000 23.66595 ? 197 GLU C C 1 ATOM 805 O O . GLU A 1 54 ? -6.45618 -45.77356 31.65207 1.000 24.95002 ? 197 GLU C O 1 ATOM 806 C CB . GLU A 1 54 ? -7.30563 -46.18442 29.03519 1.000 27.05616 ? 197 GLU C CB 1 ATOM 807 C CG . GLU A 1 54 ? -8.06285 -44.88888 28.85150 1.000 29.51408 ? 197 GLU C CG 1 ATOM 808 C CD . GLU A 1 54 ? -9.56731 -45.08165 28.79931 1.000 33.25889 ? 197 GLU C CD 1 ATOM 809 O OE1 . GLU A 1 54 ? -10.05515 -46.22577 28.94721 1.000 32.57065 ? 197 GLU C OE1 1 ATOM 810 O OE2 . GLU A 1 54 ? -10.27412 -44.07687 28.60548 1.000 35.56875 -1 197 GLU C OE2 1 ATOM 811 H H . GLU A 1 54 ? -4.56332 -46.91117 28.13350 1.000 26.20072 ? 197 GLU C H 1 ATOM 812 H HA . GLU A 1 54 ? -5.54128 -45.17822 28.91057 1.000 28.22553 ? 197 GLU C HA 1 ATOM 813 H HB2 . GLU A 1 54 ? -7.39383 -46.69568 28.21559 1.000 32.46416 ? 197 GLU C HB2 1 ATOM 814 H HB3 . GLU A 1 54 ? -7.71694 -46.66397 29.77123 1.000 32.46416 ? 197 GLU C HB3 1 ATOM 815 H HG2 . GLU A 1 54 ? -7.86298 -44.29915 29.59526 1.000 35.41366 ? 197 GLU C HG2 1 ATOM 816 H HG3 . GLU A 1 54 ? -7.78542 -44.47744 28.01804 1.000 35.41366 ? 197 GLU C HG3 1 ATOM 817 N N . ASP A 1 55 ? -4.25165 -45.85248 31.15977 1.000 22.38730 ? 198 ASP C N 1 ATOM 818 C CA . ASP A 1 55 ? -3.68354 -45.60727 32.47769 1.000 23.54860 ? 198 ASP C CA 1 ATOM 819 C C . ASP A 1 55 ? -3.82571 -46.79118 33.42848 1.000 24.21944 ? 198 ASP C C 1 ATOM 820 O O . ASP A 1 55 ? -2.86414 -47.15286 34.10691 1.000 24.63108 ? 198 ASP C O 1 ATOM 821 C CB . ASP A 1 55 ? -4.30524 -44.37036 33.15190 1.000 26.25607 ? 198 ASP C CB 1 ATOM 822 C CG . ASP A 1 55 ? -4.17864 -43.09700 32.32842 1.000 27.32956 ? 198 ASP C CG 1 ATOM 823 O OD1 . ASP A 1 55 ? -3.15062 -42.88237 31.67230 1.000 26.06009 ? 198 ASP C OD1 1 ATOM 824 O OD2 . ASP A 1 55 ? -5.14526 -42.29752 32.37392 1.000 31.21305 -1 198 ASP C OD2 1 ATOM 825 H H . ASP A 1 55 ? -3.63220 -46.01186 30.58489 1.000 26.86153 ? 198 ASP C H 1 ATOM 826 H HA . ASP A 1 55 ? -2.73833 -45.45176 32.32503 1.000 28.25509 ? 198 ASP C HA 1 ATOM 827 H HB2 . ASP A 1 55 ? -5.24982 -44.53569 33.29800 1.000 31.50405 ? 198 ASP C HB2 1 ATOM 828 H HB3 . ASP A 1 55 ? -3.85970 -44.21976 34.00026 1.000 31.50405 ? 198 ASP C HB3 1 ATOM 829 N N . ASN A 1 56 ? -5.00852 -47.39679 33.49892 1.000 25.79750 ? 199 ASN C N 1 ATOM 830 C CA . ASN A 1 56 ? -5.25570 -48.38342 34.54545 1.000 26.27632 ? 199 ASN C CA 1 ATOM 831 C C . ASN A 1 56 ? -6.24762 -49.47299 34.14607 1.000 25.44298 ? 199 ASN C C 1 ATOM 832 O O . ASN A 1 56 ? -6.70557 -50.21172 35.03366 1.000 26.67722 ? 199 ASN C O 1 ATOM 833 C CB . ASN A 1 56 ? -5.75321 -47.70280 35.82962 1.000 28.83500 ? 199 ASN C CB 1 ATOM 834 C CG . ASN A 1 56 ? -7.09472 -47.00171 35.64204 1.000 33.48249 ? 199 ASN C CG 1 ATOM 835 O OD1 . ASN A 1 56 ? -7.67181 -47.01210 34.56671 1.000 32.36630 ? 199 ASN C OD1 1 ATOM 836 N ND2 . ASN A 1 56 ? -7.60248 -46.39952 36.71354 1.000 41.76434 ? 199 ASN C ND2 1 ATOM 837 H H . ASN A 1 56 ? -5.66931 -47.25830 32.96622 1.000 30.95377 ? 199 ASN C H 1 ATOM 838 H HA . ASN A 1 56 ? -4.40838 -48.81495 34.73712 1.000 31.52835 ? 199 ASN C HA 1 ATOM 839 H HB2 . ASN A 1 56 ? -5.85919 -48.37339 36.52243 1.000 34.59877 ? 199 ASN C HB2 1 ATOM 840 H HB3 . ASN A 1 56 ? -5.10349 -47.03837 36.10764 1.000 34.59877 ? 199 ASN C HB3 1 ATOM 841 H HD21 . ASN A 1 56 ? -7.17649 -46.41953 37.46035 1.000 50.11397 ? 199 ASN C HD21 1 ATOM 842 H HD22 . ASN A 1 56 ? -8.35684 -45.99007 36.65964 1.000 50.11397 ? 199 ASN C HD22 1 ATOM 843 N N . GLN A 1 57 ? -6.59310 -49.60304 32.86046 1.000 25.00272 ? 200 GLN C N 1 ATOM 844 C CA . GLN A 1 57 ? -7.54784 -50.59743 32.41319 1.000 25.49870 ? 200 GLN C CA 1 ATOM 845 C C . GLN A 1 57 ? -6.79742 -51.84499 31.98084 1.000 24.81989 ? 200 GLN C C 1 ATOM 846 O O . GLN A 1 57 ? -5.73156 -51.76592 31.36501 1.000 23.88624 ? 200 GLN C O 1 ATOM 847 C CB . GLN A 1 57 ? -8.31945 -50.04572 31.21675 1.000 25.85889 ? 200 GLN C CB 1 ATOM 848 C CG . GLN A 1 57 ? -9.09501 -48.79984 31.53843 1.000 29.26619 ? 200 GLN C CG 1 ATOM 849 C CD . GLN A 1 57 ? -10.24323 -49.08026 32.47623 1.000 31.26586 ? 200 GLN C CD 1 ATOM 850 O OE1 . GLN A 1 57 ? -11.24765 -49.68547 32.08977 1.000 33.82378 ? 200 GLN C OE1 1 ATOM 851 N NE2 . GLN A 1 57 ? -10.09870 -48.65312 33.71986 1.000 30.84395 ? 200 GLN C NE2 1 ATOM 852 H H . GLN A 1 57 ? -6.27854 -49.11551 32.22567 1.000 30.00003 ? 200 GLN C H 1 ATOM 853 H HA . GLN A 1 57 ? -8.16886 -50.82452 33.12288 1.000 30.59521 ? 200 GLN C HA 1 ATOM 854 H HB2 . GLN A 1 57 ? -7.69134 -49.83235 30.50905 1.000 31.02744 ? 200 GLN C HB2 1 ATOM 855 H HB3 . GLN A 1 57 ? -8.94791 -50.71832 30.91090 1.000 31.02744 ? 200 GLN C HB3 1 ATOM 856 H HG2 . GLN A 1 57 ? -8.50564 -48.15718 31.96332 1.000 35.11619 ? 200 GLN C HG2 1 ATOM 857 H HG3 . GLN A 1 57 ? -9.45611 -48.42751 30.71875 1.000 35.11619 ? 200 GLN C HG3 1 ATOM 858 H HE21 . GLN A 1 57 ? -9.38015 -48.24181 33.95248 1.000 37.00951 ? 200 GLN C HE21 1 ATOM 859 H HE22 . GLN A 1 57 ? -10.72329 -48.78673 34.29574 1.000 37.00951 ? 200 GLN C HE22 1 ATOM 860 N N A ARG A 1 58 ? -7.40078 -53.00103 32.24210 0.582 26.16257 ? 201 ARG C N 1 ATOM 861 N N B ARG A 1 58 ? -7.36875 -52.99959 32.29832 0.418 26.03128 ? 201 ARG C N 1 ATOM 862 C CA A ARG A 1 58 ? -6.78665 -54.29331 31.97538 0.582 26.45890 ? 201 ARG C CA 1 ATOM 863 C CA B ARG A 1 58 ? -6.77559 -54.27346 31.94562 0.418 26.75541 ? 201 ARG C CA 1 ATOM 864 C C A ARG A 1 58 ? -7.51610 -54.97829 30.82900 0.582 27.19744 ? 201 ARG C C 1 ATOM 865 C C B ARG A 1 58 ? -7.53482 -54.89001 30.78390 0.418 27.24204 ? 201 ARG C C 1 ATOM 866 O O A ARG A 1 58 ? -8.72899 -55.22010 30.93885 0.582 27.35857 ? 201 ARG C O 1 ATOM 867 O O B ARG A 1 58 ? -8.76959 -54.98988 30.84211 0.418 27.07830 ? 201 ARG C O 1 ATOM 868 C CB A ARG A 1 58 ? -6.88842 -55.13371 33.24755 0.582 31.40223 ? 201 ARG C CB 1 ATOM 869 C CB B ARG A 1 58 ? -6.81610 -55.23005 33.14049 0.418 31.10185 ? 201 ARG C CB 1 ATOM 870 C CG A ARG A 1 58 ? -6.04144 -56.38417 33.29327 0.582 34.32618 ? 201 ARG C CG 1 ATOM 871 C CG B ARG A 1 58 ? -5.46141 -55.52884 33.75171 0.418 33.63841 ? 201 ARG C CG 1 ATOM 872 C CD A ARG A 1 58 ? -5.66225 -56.71138 34.75018 0.582 37.57840 ? 201 ARG C CD 1 ATOM 873 C CD B ARG A 1 58 ? -5.56524 -56.61582 34.82260 0.418 36.15336 ? 201 ARG C CD 1 ATOM 874 N NE A ARG A 1 58 ? -6.82576 -56.73498 35.63000 0.582 41.01746 ? 201 ARG C NE 1 ATOM 875 N NE B ARG A 1 58 ? -6.46412 -56.23003 35.90191 0.418 40.28906 ? 201 ARG C NE 1 ATOM 876 C CZ A ARG A 1 58 ? -7.08106 -55.82677 36.56557 0.582 44.63137 ? 201 ARG C CZ 1 ATOM 877 C CZ B ARG A 1 58 ? -7.67384 -56.73881 36.09394 0.418 42.66809 ? 201 ARG C CZ 1 ATOM 878 N NH1 A ARG A 1 58 ? -6.22010 -54.85670 36.85061 0.582 46.35356 ? 201 ARG C NH1 1 ATOM 879 N NH1 B ARG A 1 58 ? -8.13409 -57.73253 35.35205 0.418 43.70119 ? 201 ARG C NH1 1 ATOM 880 N NH2 A ARG A 1 58 ? -8.23155 -55.88456 37.22660 0.582 48.17972 ? 201 ARG C NH2 1 ATOM 881 N NH2 B ARG A 1 58 ? -8.44506 -56.23113 37.04937 0.418 47.68116 ? 201 ARG C NH2 1 ATOM 882 H H A ARG A 1 58 ? -8.18777 -53.06259 32.58333 0.582 31.39186 ? 201 ARG C H 1 ATOM 883 H H B ARG A 1 58 ? -8.11233 -53.06838 32.72490 0.418 31.23430 ? 201 ARG C H 1 ATOM 884 H HA A ARG A 1 58 ? -5.85821 -54.18968 31.71432 0.582 31.74745 ? 201 ARG C HA 1 ATOM 885 H HA B ARG A 1 58 ? -5.85115 -54.13824 31.68480 0.418 32.10326 ? 201 ARG C HA 1 ATOM 886 H HB2 A ARG A 1 58 ? -6.62023 -54.57996 33.99744 0.582 37.67945 ? 201 ARG C HB2 1 ATOM 887 H HB2 B ARG A 1 58 ? -7.36969 -54.83637 33.83291 0.418 37.31898 ? 201 ARG C HB2 1 ATOM 888 H HB3 A ARG A 1 58 ? -7.81199 -55.41074 33.35328 0.582 37.67945 ? 201 ARG C HB3 1 ATOM 889 H HB3 B ARG A 1 58 ? -7.19843 -56.07254 32.84906 0.418 37.31898 ? 201 ARG C HB3 1 ATOM 890 H HG2 A ARG A 1 58 ? -6.54058 -57.13070 32.92659 0.582 41.18818 ? 201 ARG C HG2 1 ATOM 891 H HG2 B ARG A 1 58 ? -4.85644 -55.83803 33.05939 0.418 40.36286 ? 201 ARG C HG2 1 ATOM 892 H HG3 A ARG A 1 58 ? -5.22776 -56.24671 32.78344 0.582 41.18818 ? 201 ARG C HG3 1 ATOM 893 H HG3 B ARG A 1 58 ? -5.10966 -54.72478 34.16481 0.418 40.36286 ? 201 ARG C HG3 1 ATOM 894 H HD2 A ARG A 1 58 ? -5.24200 -57.58506 34.78138 0.582 45.09084 ? 201 ARG C HD2 1 ATOM 895 H HD2 B ARG A 1 58 ? -5.90622 -57.42976 34.41995 0.418 43.38080 ? 201 ARG C HD2 1 ATOM 896 H HD3 A ARG A 1 58 ? -5.04843 -56.03605 35.07890 0.582 45.09084 ? 201 ARG C HD3 1 ATOM 897 H HD3 B ARG A 1 58 ? -4.68689 -56.77598 35.20176 0.418 43.38080 ? 201 ARG C HD3 1 ATOM 898 H HE A ARG A 1 58 ? -7.38511 -57.38151 35.53660 0.582 49.21772 ? 201 ARG C HE 1 ATOM 899 H HE B ARG A 1 58 ? -6.19105 -55.62970 36.45385 0.418 48.34364 ? 201 ARG C HE 1 ATOM 900 H HH11 A ARG A 1 58 ? -5.47452 -54.80475 36.42516 0.582 55.62104 ? 201 ARG C HH11 1 ATOM 901 H HH11 B ARG A 1 58 ? -7.64552 -58.06456 34.72703 0.418 52.43819 ? 201 ARG C HH11 1 ATOM 902 H HH12 A ARG A 1 58 ? -6.40813 -54.28042 37.46065 0.582 55.62104 ? 201 ARG C HH12 1 ATOM 903 H HH12 B ARG A 1 58 ? -8.92189 -58.04655 35.49473 0.418 52.43819 ? 201 ARG C HH12 1 ATOM 904 H HH21 A ARG A 1 58 ? -8.80008 -56.50430 37.04688 0.582 57.81243 ? 201 ARG C HH21 1 ATOM 905 H HH21 B ARG A 1 58 ? -9.23137 -56.55258 37.18346 0.418 57.21416 ? 201 ARG C HH21 1 ATOM 906 H HH22 A ARG A 1 58 ? -8.40801 -55.30223 37.83435 0.582 57.81243 ? 201 ARG C HH22 1 ATOM 907 H HH22 B ARG A 1 58 ? -8.15793 -55.58107 37.53371 0.418 57.21416 ? 201 ARG C HH22 1 ATOM 908 N N . PRO A 1 59 ? -6.85057 -55.30508 29.72031 1.000 27.48338 ? 202 PRO C N 1 ATOM 909 C CA . PRO A 1 59 ? -7.53310 -56.04650 28.65675 1.000 28.51375 ? 202 PRO C CA 1 ATOM 910 C C . PRO A 1 59 ? -8.06016 -57.36441 29.19187 1.000 33.21681 ? 202 PRO C C 1 ATOM 911 O O . PRO A 1 59 ? -7.51691 -57.93825 30.13622 1.000 30.65886 ? 202 PRO C O 1 ATOM 912 C CB . PRO A 1 59 ? -6.43265 -56.29032 27.61842 1.000 27.49574 ? 202 PRO C CB 1 ATOM 913 C CG . PRO A 1 59 ? -5.38995 -55.29660 27.89173 1.000 27.06752 ? 202 PRO C CG 1 ATOM 914 C CD . PRO A 1 59 ? -5.44383 -55.03331 29.37609 1.000 26.61170 ? 202 PRO C CD 1 ATOM 915 H HA . PRO A 1 59 ? -8.24593 -55.51893 28.26375 1.000 34.21327 ? 202 PRO C HA 1 ATOM 916 H HB2 . PRO A 1 59 ? -6.08405 -57.19000 27.71823 1.000 32.99165 ? 202 PRO C HB2 1 ATOM 917 H HB3 . PRO A 1 59 ? -6.79443 -56.17179 26.72625 1.000 32.99165 ? 202 PRO C HB3 1 ATOM 918 H HG2 . PRO A 1 59 ? -4.52441 -55.65350 27.63804 1.000 32.47779 ? 202 PRO C HG2 1 ATOM 919 H HG3 . PRO A 1 59 ? -5.57347 -54.48528 27.39275 1.000 32.47779 ? 202 PRO C HG3 1 ATOM 920 H HD2 . PRO A 1 59 ? -4.84981 -55.63270 29.85440 1.000 31.93081 ? 202 PRO C HD2 1 ATOM 921 H HD3 . PRO A 1 59 ? -5.21290 -54.11168 29.57143 1.000 31.93081 ? 202 PRO C HD3 1 ATOM 922 N N . SER A 1 60 ? -9.11311 -57.86445 28.56121 1.000 38.18962 ? 203 SER C N 1 ATOM 923 C CA . SER A 1 60 ? -9.56859 -59.20376 28.89309 1.000 44.10903 ? 203 SER C CA 1 ATOM 924 C C . SER A 1 60 ? -8.43543 -60.19511 28.66332 1.000 41.69561 ? 203 SER C C 1 ATOM 925 O O . SER A 1 60 ? -7.65579 -60.07091 27.71289 1.000 41.64652 ? 203 SER C O 1 ATOM 926 C CB . SER A 1 60 ? -10.77960 -59.58295 28.03447 1.000 51.95069 ? 203 SER C CB 1 ATOM 927 O OG . SER A 1 60 ? -10.59117 -59.16268 26.69976 1.000 61.65312 ? 203 SER C OG 1 ATOM 928 H H . SER A 1 60 ? -9.56853 -57.45988 27.95415 1.000 45.82432 ? 203 SER C H 1 ATOM 929 H HA . SER A 1 60 ? -9.84092 -59.24004 29.82337 1.000 52.92761 ? 203 SER C HA 1 ATOM 930 H HB2 . SER A 1 60 ? -10.89060 -60.54643 28.05080 1.000 62.33760 ? 203 SER C HB2 1 ATOM 931 H HB3 . SER A 1 60 ? -11.57061 -59.15172 28.39396 1.000 62.33760 ? 203 SER C HB3 1 ATOM 932 H HG . SER A 1 60 ? -11.25529 -59.38008 26.23363 1.000 73.98051 ? 203 SER C HG 1 ATOM 933 N N . GLY A 1 61 ? -8.32058 -61.15801 29.56783 1.000 38.58868 ? 204 GLY C N 1 ATOM 934 C CA . GLY A 1 61 ? -7.27565 -62.14356 29.51127 1.000 35.99919 ? 204 GLY C CA 1 ATOM 935 C C . GLY A 1 61 ? -6.03226 -61.80879 30.30783 1.000 34.19620 ? 204 GLY C C 1 ATOM 936 O O . GLY A 1 61 ? -5.23992 -62.70981 30.58416 1.000 37.39977 ? 204 GLY C O 1 ATOM 937 H H . GLY A 1 61 ? -8.85294 -61.25594 30.23612 1.000 46.30319 ? 204 GLY C H 1 ATOM 938 H HA2 . GLY A 1 61 ? -7.62406 -62.98378 29.84821 1.000 43.19580 ? 204 GLY C HA2 1 ATOM 939 H HA3 . GLY A 1 61 ? -7.01002 -62.26029 28.58568 1.000 43.19580 ? 204 GLY C HA3 1 ATOM 940 N N . VAL A 1 62 ? -5.83488 -60.55230 30.68936 1.000 30.36679 ? 205 VAL C N 1 ATOM 941 C CA . VAL A 1 62 ? -4.64058 -60.16712 31.44219 1.000 29.83532 ? 205 VAL C CA 1 ATOM 942 C C . VAL A 1 62 ? -4.90672 -60.42775 32.91741 1.000 31.44136 ? 205 VAL C C 1 ATOM 943 O O . VAL A 1 62 ? -5.93458 -59.97648 33.43061 1.000 30.88905 ? 205 VAL C O 1 ATOM 944 C CB . VAL A 1 62 ? -4.26010 -58.70328 31.17481 1.000 27.21581 ? 205 VAL C CB 1 ATOM 945 C CG1 . VAL A 1 62 ? -3.15851 -58.25087 32.12694 1.000 26.65626 ? 205 VAL C CG1 1 ATOM 946 C CG2 . VAL A 1 62 ? -3.81372 -58.54931 29.72024 1.000 27.48886 ? 205 VAL C CG2 1 ATOM 947 H H . VAL A 1 62 ? -6.37542 -59.90366 30.52601 1.000 36.43692 ? 205 VAL C H 1 ATOM 948 H HA . VAL A 1 62 ? -3.88893 -60.71563 31.16822 1.000 35.79915 ? 205 VAL C HA 1 ATOM 949 H HB . VAL A 1 62 ? -5.03197 -58.13603 31.32757 1.000 32.65574 ? 205 VAL C HB 1 ATOM 950 H HG11 . VAL A 1 62 ? -2.80646 -57.40030 31.82118 1.000 31.98429 ? 205 VAL C HG11 1 ATOM 951 H HG12 . VAL A 1 62 ? -3.53086 -58.15389 33.01736 1.000 31.98429 ? 205 VAL C HG12 1 ATOM 952 H HG13 . VAL A 1 62 ? -2.45373 -58.91730 32.13390 1.000 31.98429 ? 205 VAL C HG13 1 ATOM 953 H HG21 . VAL A 1 62 ? -3.41454 -57.67300 29.60348 1.000 32.98340 ? 205 VAL C HG21 1 ATOM 954 H HG22 . VAL A 1 62 ? -3.16341 -59.23907 29.51477 1.000 32.98340 ? 205 VAL C HG22 1 ATOM 955 H HG23 . VAL A 1 62 ? -4.58670 -58.64047 29.14136 1.000 32.98340 ? 205 VAL C HG23 1 ATOM 956 N N . PRO A 1 63 ? -4.02646 -61.14483 33.62270 1.000 33.45020 ? 206 PRO C N 1 ATOM 957 C CA . PRO A 1 63 ? -4.27555 -61.43820 35.04143 1.000 35.40038 ? 206 PRO C CA 1 ATOM 958 C C . PRO A 1 63 ? -4.39644 -60.17878 35.89036 1.000 34.85038 ? 206 PRO C C 1 ATOM 959 O O . PRO A 1 63 ? -3.74148 -59.15876 35.64106 1.000 32.63768 ? 206 PRO C O 1 ATOM 960 C CB . PRO A 1 63 ? -3.04581 -62.25272 35.45392 1.000 35.02137 ? 206 PRO C CB 1 ATOM 961 C CG . PRO A 1 63 ? -2.50407 -62.83544 34.18759 1.000 38.09227 ? 206 PRO C CG 1 ATOM 962 C CD . PRO A 1 63 ? -2.82155 -61.83159 33.10692 1.000 36.46703 ? 206 PRO C CD 1 ATOM 963 H HA . PRO A 1 63 ? -5.08498 -61.96512 35.13133 1.000 42.47722 ? 206 PRO C HA 1 ATOM 964 H HB2 . PRO A 1 63 ? -2.39266 -61.67036 35.87244 1.000 42.02241 ? 206 PRO C HB2 1 ATOM 965 H HB3 . PRO A 1 63 ? -3.30905 -62.95343 36.07084 1.000 42.02241 ? 206 PRO C HB3 1 ATOM 966 H HG2 . PRO A 1 63 ? -1.54580 -62.96199 34.26879 1.000 45.70750 ? 206 PRO C HG2 1 ATOM 967 H HG3 . PRO A 1 63 ? -2.93665 -63.68449 34.00626 1.000 45.70750 ? 206 PRO C HG3 1 ATOM 968 H HD2 . PRO A 1 63 ? -2.08990 -61.20519 32.99202 1.000 43.75721 ? 206 PRO C HD2 1 ATOM 969 H HD3 . PRO A 1 63 ? -3.01157 -62.27751 32.26671 1.000 43.75721 ? 206 PRO C HD3 1 ATOM 970 N N . ASP A 1 64 ? -5.20493 -60.28280 36.94929 1.000 38.27330 ? 207 ASP C N 1 ATOM 971 C CA . ASP A 1 64 ? -5.43209 -59.15039 37.83915 1.000 44.14480 ? 207 ASP C CA 1 ATOM 972 C C . ASP A 1 64 ? -4.18521 -58.74747 38.61718 1.000 38.18220 ? 207 ASP C C 1 ATOM 973 O O . ASP A 1 64 ? -4.19584 -57.69174 39.26171 1.000 35.24637 ? 207 ASP C O 1 ATOM 974 C CB . ASP A 1 64 ? -6.54631 -59.49105 38.83819 1.000 58.36892 ? 207 ASP C CB 1 ATOM 975 C CG . ASP A 1 64 ? -7.68718 -60.25305 38.19552 1.000 69.51194 ? 207 ASP C CG 1 ATOM 976 O OD1 . ASP A 1 64 ? -8.19069 -59.80112 37.14240 1.000 82.77137 ? 207 ASP C OD1 1 ATOM 977 O OD2 . ASP A 1 64 ? -8.06499 -61.31513 38.73143 1.000 71.05646 -1 207 ASP C OD2 1 ATOM 978 H H . ASP A 1 64 ? -5.63026 -60.99687 37.17018 1.000 45.92472 ? 207 ASP C H 1 ATOM 979 H HA . ASP A 1 64 ? -5.71284 -58.39319 37.30182 1.000 52.97053 ? 207 ASP C HA 1 ATOM 980 H HB2 . ASP A 1 64 ? -6.17887 -60.04090 39.54780 1.000 70.03948 ? 207 ASP C HB2 1 ATOM 981 H HB3 . ASP A 1 64 ? -6.90382 -58.66834 39.20730 1.000 70.03948 ? 207 ASP C HB3 1 ATOM 982 N N . ARG A 1 65 ? -3.12835 -59.56447 38.58750 1.000 35.09494 ? 208 ARG C N 1 ATOM 983 C CA . ARG A 1 65 ? -1.86747 -59.18331 39.21363 1.000 34.61566 ? 208 ARG C CA 1 ATOM 984 C C . ARG A 1 65 ? -1.25737 -57.94461 38.57001 1.000 29.86773 ? 208 ARG C C 1 ATOM 985 O O . ARG A 1 65 ? -0.38595 -57.30966 39.17156 1.000 26.81191 ? 208 ARG C O 1 ATOM 986 C CB . ARG A 1 65 ? -0.84845 -60.32251 39.07929 1.000 39.56320 ? 208 ARG C CB 1 ATOM 987 C CG . ARG A 1 65 ? -1.36383 -61.69349 39.48819 1.000 44.04121 ? 208 ARG C CG 1 ATOM 988 C CD . ARG A 1 65 ? -0.29756 -62.78195 39.35708 1.000 48.47947 ? 208 ARG C CD 1 ATOM 989 N NE . ARG A 1 65 ? -0.00571 -63.18612 37.98270 1.000 43.31572 ? 208 ARG C NE 1 ATOM 990 C CZ . ARG A 1 65 ? 1.07929 -62.82381 37.31083 1.000 38.70443 ? 208 ARG C CZ 1 ATOM 991 N NH1 . ARG A 1 65 ? 1.93088 -61.94322 37.80249 1.000 39.00805 ? 208 ARG C NH1 1 ATOM 992 N NH2 . ARG A 1 65 ? 1.32004 -63.36987 36.12172 1.000 36.61220 ? 208 ARG C NH2 1 ATOM 993 H H . ARG A 1 65 ? -3.11831 -60.33871 38.21325 1.000 42.11070 ? 208 ARG C H 1 ATOM 994 H HA . ARG A 1 65 ? -2.04153 -59.00920 40.15186 1.000 41.53556 ? 208 ARG C HA 1 ATOM 995 H HB2 . ARG A 1 65 ? -0.57220 -60.38001 38.15125 1.000 47.47261 ? 208 ARG C HB2 1 ATOM 996 H HB3 . ARG A 1 65 ? -0.08420 -60.11916 39.64095 1.000 47.47261 ? 208 ARG C HB3 1 ATOM 997 H HG2 . ARG A 1 65 ? -1.64919 -61.66212 40.41473 1.000 52.84622 ? 208 ARG C HG2 1 ATOM 998 H HG3 . ARG A 1 65 ? -2.11124 -61.93457 38.91884 1.000 52.84622 ? 208 ARG C HG3 1 ATOM 999 H HD2 . ARG A 1 65 ? 0.52821 -62.45425 39.74647 1.000 58.17214 ? 208 ARG C HD2 1 ATOM 1000 H HD3 . ARG A 1 65 ? -0.59990 -63.57002 39.83504 1.000 58.17214 ? 208 ARG C HD3 1 ATOM 1001 H HE . ARG A 1 65 ? -0.57500 -63.69216 37.58342 1.000 51.97563 ? 208 ARG C HE 1 ATOM 1002 H HH11 . ARG A 1 65 ? 1.78800 -61.59126 38.57406 1.000 46.80643 ? 208 ARG C HH11 1 ATOM 1003 H HH12 . ARG A 1 65 ? 2.62860 -61.72145 37.35126 1.000 46.80643 ? 208 ARG C HH12 1 ATOM 1004 H HH21 . ARG A 1 65 ? 0.77519 -63.95063 35.79699 1.000 43.93141 ? 208 ARG C HH21 1 ATOM 1005 H HH22 . ARG A 1 65 ? 2.02052 -63.14207 35.67782 1.000 43.93141 ? 208 ARG C HH22 1 ATOM 1006 N N . PHE A 1 66 ? -1.65648 -57.61052 37.34971 1.000 26.18650 ? 209 PHE C N 1 ATOM 1007 C CA . PHE A 1 66 ? -1.14316 -56.43341 36.66255 1.000 25.89582 ? 209 PHE C CA 1 ATOM 1008 C C . PHE A 1 66 ? -2.07895 -55.26045 36.89710 1.000 25.15529 ? 209 PHE C C 1 ATOM 1009 O O . PHE A 1 66 ? -3.28768 -55.37077 36.66187 1.000 25.57764 ? 209 PHE C O 1 ATOM 1010 C CB . PHE A 1 66 ? -1.07986 -56.66741 35.15124 1.000 24.98827 ? 209 PHE C CB 1 ATOM 1011 C CG . PHE A 1 66 ? -0.05564 -57.66179 34.73689 1.000 25.13380 ? 209 PHE C CG 1 ATOM 1012 C CD1 . PHE A 1 66 ? -0.31879 -59.01266 34.83235 1.000 24.99626 ? 209 PHE C CD1 1 ATOM 1013 C CD2 . PHE A 1 66 ? 1.17463 -57.24921 34.24690 1.000 24.66309 ? 209 PHE C CD2 1 ATOM 1014 C CE1 . PHE A 1 66 ? 0.62208 -59.93699 34.45513 1.000 27.17276 ? 209 PHE C CE1 1 ATOM 1015 C CE2 . PHE A 1 66 ? 2.11274 -58.16902 33.85293 1.000 25.01068 ? 209 PHE C CE2 1 ATOM 1016 C CZ . PHE A 1 66 ? 1.84509 -59.51987 33.96682 1.000 25.36918 ? 209 PHE C CZ 1 ATOM 1017 H H . PHE A 1 66 ? -2.23226 -58.05615 36.89200 1.000 31.42057 ? 209 PHE C H 1 ATOM 1018 H HA . PHE A 1 66 ? -0.25700 -56.24009 37.00642 1.000 31.07175 ? 209 PHE C HA 1 ATOM 1019 H HB2 . PHE A 1 66 ? -1.94354 -56.99016 34.84994 1.000 29.98270 ? 209 PHE C HB2 1 ATOM 1020 H HB3 . PHE A 1 66 ? -0.86904 -55.82714 34.71488 1.000 29.98270 ? 209 PHE C HB3 1 ATOM 1021 H HD1 . PHE A 1 66 ? -1.14224 -59.29954 35.15566 1.000 29.99229 ? 209 PHE C HD1 1 ATOM 1022 H HD2 . PHE A 1 66 ? 1.36509 -56.34104 34.18495 1.000 29.59248 ? 209 PHE C HD2 1 ATOM 1023 H HE1 . PHE A 1 66 ? 0.43636 -60.84532 34.52821 1.000 32.60409 ? 209 PHE C HE1 1 ATOM 1024 H HE2 . PHE A 1 66 ? 2.92849 -57.88368 33.50935 1.000 30.00958 ? 209 PHE C HE2 1 ATOM 1025 H HZ . PHE A 1 66 ? 2.48566 -60.14560 33.71577 1.000 30.43978 ? 209 PHE C HZ 1 ATOM 1026 N N . SER A 1 67 ? -1.51588 -54.13074 37.31120 1.000 25.68056 ? 210 SER C N 1 ATOM 1027 C CA . SER A 1 67 ? -2.29616 -52.91735 37.49602 1.000 26.12387 ? 210 SER C CA 1 ATOM 1028 C C . SER A 1 67 ? -1.47860 -51.71029 37.06239 1.000 25.96314 ? 210 SER C C 1 ATOM 1029 O O . SER A 1 67 ? -0.25425 -51.74751 37.01222 1.000 26.21118 ? 210 SER C O 1 ATOM 1030 C CB . SER A 1 67 ? -2.75495 -52.75732 38.94727 1.000 27.59918 ? 210 SER C CB 1 ATOM 1031 O OG . SER A 1 67 ? -1.64373 -52.60929 39.80992 1.000 28.94842 ? 210 SER C OG 1 ATOM 1032 H H . SER A 1 67 ? -0.67968 -54.04323 37.49203 1.000 30.81345 ? 210 SER C H 1 ATOM 1033 H HA . SER A 1 67 ? -3.08362 -52.95793 36.93108 1.000 31.34541 ? 210 SER C HA 1 ATOM 1034 H HB2 . SER A 1 67 ? -3.31623 -51.96923 39.01645 1.000 33.11579 ? 210 SER C HB2 1 ATOM 1035 H HB3 . SER A 1 67 ? -3.25597 -53.54549 39.20932 1.000 33.11579 ? 210 SER C HB3 1 ATOM 1036 H HG . SER A 1 67 ? -1.23217 -51.89970 39.62910 1.000 34.73487 ? 210 SER C HG 1 ATOM 1037 N N . GLY A 1 68 ? -2.18077 -50.63500 36.74361 1.000 26.27826 ? 211 GLY C N 1 ATOM 1038 C CA . GLY A 1 68 ? -1.53834 -49.40136 36.34485 1.000 26.05599 ? 211 GLY C CA 1 ATOM 1039 C C . GLY A 1 68 ? -2.01906 -48.23643 37.19200 1.000 26.82259 ? 211 GLY C C 1 ATOM 1040 O O . GLY A 1 68 ? -3.14535 -48.22288 37.69054 1.000 27.27838 ? 211 GLY C O 1 ATOM 1041 H H . GLY A 1 68 ? -3.03987 -50.59649 36.75120 1.000 31.53068 ? 211 GLY C H 1 ATOM 1042 H HA2 . GLY A 1 68 ? -0.57755 -49.48538 36.44836 1.000 31.26396 ? 211 GLY C HA2 1 ATOM 1043 H HA3 . GLY A 1 68 ? -1.74058 -49.21378 35.41490 1.000 31.26396 ? 211 GLY C HA3 1 ATOM 1044 N N . SER A 1 69 ? -1.13613 -47.25985 37.34995 1.000 27.37432 ? 212 SER C N 1 ATOM 1045 C CA . SER A 1 69 ? -1.48157 -46.06397 38.09907 1.000 28.70318 ? 212 SER C CA 1 ATOM 1046 C C . SER A 1 69 ? -0.72974 -44.86873 37.53849 1.000 27.94779 ? 212 SER C C 1 ATOM 1047 O O . SER A 1 69 ? 0.22486 -45.01260 36.76956 1.000 28.00396 ? 212 SER C O 1 ATOM 1048 C CB . SER A 1 69 ? -1.18679 -46.23666 39.59837 1.000 30.26212 ? 212 SER C CB 1 ATOM 1049 O OG . SER A 1 69 ? 0.18163 -46.55887 39.79752 1.000 32.60653 ? 212 SER C OG 1 ATOM 1050 H H . SER A 1 69 ? -0.33609 -47.26724 37.03453 1.000 32.84595 ? 212 SER C H 1 ATOM 1051 H HA . SER A 1 69 ? -2.42988 -45.89495 37.98491 1.000 34.44059 ? 212 SER C HA 1 ATOM 1052 H HB2 . SER A 1 69 ? -1.38856 -45.40754 40.05961 1.000 36.31132 ? 212 SER C HB2 1 ATOM 1053 H HB3 . SER A 1 69 ? -1.73677 -46.95419 39.94992 1.000 36.31132 ? 212 SER C HB3 1 ATOM 1054 H HG . SER A 1 69 ? 0.32342 -46.72088 40.60946 1.000 39.12461 ? 212 SER C HG 1 ATOM 1055 N N . ILE A 1 70 ? -1.18241 -43.68149 37.95306 1.000 28.92145 ? 213 ILE C N 1 ATOM 1056 C CA . ILE A 1 70 ? -0.59253 -42.40107 37.59287 1.000 29.41136 ? 213 ILE C CA 1 ATOM 1057 C C . ILE A 1 70 ? -0.28710 -41.64144 38.88215 1.000 31.12429 ? 213 ILE C C 1 ATOM 1058 O O . ILE A 1 70 ? -1.10486 -41.62354 39.81597 1.000 30.70070 ? 213 ILE C O 1 ATOM 1059 C CB . ILE A 1 70 ? -1.56501 -41.58117 36.71816 1.000 30.27039 ? 213 ILE C CB 1 ATOM 1060 C CG1 . ILE A 1 70 ? -1.93206 -42.34446 35.43930 1.000 31.20591 ? 213 ILE C CG1 1 ATOM 1061 C CG2 . ILE A 1 70 ? -0.97255 -40.22127 36.38628 1.000 31.66599 ? 213 ILE C CG2 1 ATOM 1062 C CD1 . ILE A 1 70 ? -0.77178 -42.57209 34.49136 1.000 31.91238 ? 213 ILE C CD1 1 ATOM 1063 H H . ILE A 1 70 ? -1.86454 -43.59406 38.46944 1.000 34.70250 ? 213 ILE C H 1 ATOM 1064 H HA . ILE A 1 70 ? 0.23513 -42.54118 37.10680 1.000 35.29041 ? 213 ILE C HA 1 ATOM 1065 H HB . ILE A 1 70 ? -2.37926 -41.44356 37.22705 1.000 36.32124 ? 213 ILE C HB 1 ATOM 1066 H HG12 . ILE A 1 70 ? -2.28270 -43.21404 35.68785 1.000 37.44386 ? 213 ILE C HG12 1 ATOM 1067 H HG13 . ILE A 1 70 ? -2.60733 -41.83900 34.96032 1.000 37.44386 ? 213 ILE C HG13 1 ATOM 1068 H HG21 . ILE A 1 70 ? -1.49056 -39.81671 35.67291 1.000 37.99596 ? 213 ILE C HG21 1 ATOM 1069 H HG22 . ILE A 1 70 ? -1.00513 -39.66101 37.17744 1.000 37.99596 ? 213 ILE C HG22 1 ATOM 1070 H HG23 . ILE A 1 70 ? -0.05270 -40.33850 36.10163 1.000 37.99596 ? 213 ILE C HG23 1 ATOM 1071 H HD11 . ILE A 1 70 ? -1.06834 -43.13405 33.75845 1.000 38.29163 ? 213 ILE C HD11 1 ATOM 1072 H HD12 . ILE A 1 70 ? -0.46990 -41.71566 34.15033 1.000 38.29163 ? 213 ILE C HD12 1 ATOM 1073 H HD13 . ILE A 1 70 ? -0.05175 -43.00887 34.97269 1.000 38.29163 ? 213 ILE C HD13 1 ATOM 1074 N N . ASP A 1 71 ? 0.88064 -40.99059 38.91707 1.000 32.09740 ? 214 ASP C N 1 ATOM 1075 C CA . ASP A 1 71 ? 1.34083 -40.19467 40.06129 1.000 35.12243 ? 214 ASP C CA 1 ATOM 1076 C C . ASP A 1 71 ? 1.66783 -38.79272 39.54022 1.000 33.88686 ? 214 ASP C C 1 ATOM 1077 O O . ASP A 1 71 ? 2.75228 -38.55115 38.99856 1.000 32.19090 ? 214 ASP C O 1 ATOM 1078 C CB . ASP A 1 71 ? 2.56278 -40.83579 40.70983 1.000 38.81195 ? 214 ASP C CB 1 ATOM 1079 C CG . ASP A 1 71 ? 3.10338 -40.03200 41.90003 1.000 42.65613 ? 214 ASP C CG 1 ATOM 1080 O OD1 . ASP A 1 71 ? 2.58888 -38.93392 42.18143 1.000 42.78474 ? 214 ASP C OD1 1 ATOM 1081 O OD2 . ASP A 1 71 ? 4.04779 -40.51303 42.56348 1.000 47.22325 -1 214 ASP C OD2 1 ATOM 1082 H H . ASP A 1 71 ? 1.44336 -40.99528 38.26675 1.000 38.51365 ? 214 ASP C H 1 ATOM 1083 H HA . ASP A 1 71 ? 0.63502 -40.12906 40.72342 1.000 42.14368 ? 214 ASP C HA 1 ATOM 1084 H HB2 . ASP A 1 71 ? 2.32200 -41.71896 41.03067 1.000 46.57110 ? 214 ASP C HB2 1 ATOM 1085 H HB3 . ASP A 1 71 ? 3.27019 -40.90409 40.04968 1.000 46.57110 ? 214 ASP C HB3 1 ATOM 1086 N N . SER A 1 72 ? 0.73326 -37.85980 39.70645 1.000 36.30834 ? 215 SER C N 1 ATOM 1087 C CA . SER A 1 72 ? 0.94249 -36.51160 39.19253 1.000 40.91518 ? 215 SER C CA 1 ATOM 1088 C C . SER A 1 72 ? 2.14483 -35.83627 39.84166 1.000 40.10191 ? 215 SER C C 1 ATOM 1089 O O . SER A 1 72 ? 2.88344 -35.10194 39.17963 1.000 38.74941 ? 215 SER C O 1 ATOM 1090 C CB . SER A 1 72 ? -0.31323 -35.68172 39.42148 1.000 45.26016 ? 215 SER C CB 1 ATOM 1091 O OG . SER A 1 72 ? -0.66563 -35.73142 40.79032 1.000 51.90638 ? 215 SER C OG 1 ATOM 1092 H H . SER A 1 72 ? -0.01843 -37.97984 40.10663 1.000 43.56678 ? 215 SER C H 1 ATOM 1093 H HA . SER A 1 72 ? 1.11535 -36.56636 38.23963 1.000 49.09498 ? 215 SER C HA 1 ATOM 1094 H HB2 . SER A 1 72 ? -0.14146 -34.76163 39.16685 1.000 54.30897 ? 215 SER C HB2 1 ATOM 1095 H HB3 . SER A 1 72 ? -1.03909 -36.04326 38.88922 1.000 54.30897 ? 215 SER C HB3 1 ATOM 1096 H HG . SER A 1 72 ? -1.39996 -35.34222 40.91225 1.000 62.28443 ? 215 SER C HG 1 ATOM 1097 N N . SER A 1 73 ? 2.35509 -36.05133 41.13884 1.000 41.78111 ? 216 SER C N 1 ATOM 1098 C CA . SER A 1 73 ? 3.42506 -35.31847 41.81382 1.000 43.82060 ? 216 SER C CA 1 ATOM 1099 C C . SER A 1 73 ? 4.80152 -35.67484 41.25575 1.000 42.34434 ? 216 SER C C 1 ATOM 1100 O O . SER A 1 73 ? 5.67951 -34.80698 41.19034 1.000 43.04600 ? 216 SER C O 1 ATOM 1101 C CB . SER A 1 73 ? 3.34912 -35.50613 43.33482 1.000 46.83807 ? 216 SER C CB 1 ATOM 1102 O OG . SER A 1 73 ? 3.48074 -36.86561 43.70421 1.000 49.43612 ? 216 SER C OG 1 ATOM 1103 H H . SER A 1 73 ? 1.90976 -36.59561 41.63385 1.000 50.13410 ? 216 SER C H 1 ATOM 1104 H HA . SER A 1 73 ? 3.29610 -34.37031 41.65489 1.000 52.58149 ? 216 SER C HA 1 ATOM 1105 H HB2 . SER A 1 73 ? 4.06624 -34.99997 43.74767 1.000 56.20245 ? 216 SER C HB2 1 ATOM 1106 H HB3 . SER A 1 73 ? 2.49054 -35.17993 43.64680 1.000 56.20245 ? 216 SER C HB3 1 ATOM 1107 H HG . SER A 1 73 ? 2.91288 -37.33060 43.29566 1.000 59.32011 ? 216 SER C HG 1 ATOM 1108 N N . SER A 1 74 ? 5.00424 -36.92281 40.82275 1.000 39.05781 ? 217 SER C N 1 ATOM 1109 C CA . SER A 1 74 ? 6.25870 -37.33006 40.20086 1.000 37.18638 ? 217 SER C CA 1 ATOM 1110 C C . SER A 1 74 ? 6.18128 -37.31790 38.67606 1.000 34.38003 ? 217 SER C C 1 ATOM 1111 O O . SER A 1 74 ? 7.15412 -37.69412 38.00351 1.000 34.53539 ? 217 SER C O 1 ATOM 1112 C CB . SER A 1 74 ? 6.65214 -38.73092 40.66831 1.000 37.05306 ? 217 SER C CB 1 ATOM 1113 O OG . SER A 1 74 ? 5.64289 -39.66213 40.34783 1.000 37.85231 ? 217 SER C OG 1 ATOM 1114 H H . SER A 1 74 ? 4.42266 -37.55371 40.88050 1.000 46.86614 ? 217 SER C H 1 ATOM 1115 H HA . SER A 1 74 ? 6.95511 -36.71522 40.47998 1.000 44.62043 ? 217 SER C HA 1 ATOM 1116 H HB2 . SER A 1 74 ? 7.47582 -38.99224 40.22768 1.000 44.46045 ? 217 SER C HB2 1 ATOM 1117 H HB3 . SER A 1 74 ? 6.77931 -38.71995 41.62988 1.000 44.46045 ? 217 SER C HB3 1 ATOM 1118 H HG . SER A 1 74 ? 5.78364 -40.38733 40.74769 1.000 45.41954 ? 217 SER C HG 1 ATOM 1119 N N . ASN A 1 75 ? 5.04527 -36.90818 38.12100 1.000 31.58239 ? 218 ASN C N 1 ATOM 1120 C CA . ASN A 1 75 ? 4.83508 -36.85773 36.67326 1.000 29.54481 ? 218 ASN C CA 1 ATOM 1121 C C . ASN A 1 75 ? 5.11805 -38.20559 36.01388 1.000 27.62784 ? 218 ASN C C 1 ATOM 1122 O O . ASN A 1 75 ? 5.74555 -38.29295 34.94612 1.000 26.28875 ? 218 ASN C O 1 ATOM 1123 C CB . ASN A 1 75 ? 5.66230 -35.75495 36.01765 1.000 29.15421 ? 218 ASN C CB 1 ATOM 1124 C CG . ASN A 1 75 ? 4.95764 -35.14652 34.83501 1.000 28.99130 ? 218 ASN C CG 1 ATOM 1125 O OD1 . ASN A 1 75 ? 3.76452 -34.85803 34.90277 1.000 30.55287 ? 218 ASN C OD1 1 ATOM 1126 N ND2 . ASN A 1 75 ? 5.67825 -34.98502 33.73151 1.000 29.23947 ? 218 ASN C ND2 1 ATOM 1127 H H . ASN A 1 75 ? 4.36133 -36.64672 38.57207 1.000 37.89564 ? 218 ASN C H 1 ATOM 1128 H HA . ASN A 1 75 ? 3.89811 -36.65149 36.53027 1.000 35.45055 ? 218 ASN C HA 1 ATOM 1129 H HB2 . ASN A 1 75 ? 5.82777 -35.05254 36.66584 1.000 34.98182 ? 218 ASN C HB2 1 ATOM 1130 H HB3 . ASN A 1 75 ? 6.50346 -36.12753 35.71019 1.000 34.98182 ? 218 ASN C HB3 1 ATOM 1131 H HD21 . ASN A 1 75 ? 5.31899 -34.64135 33.02979 1.000 35.08413 ? 218 ASN C HD21 1 ATOM 1132 H HD22 . ASN A 1 75 ? 6.50425 -35.22410 33.71852 1.000 35.08413 ? 218 ASN C HD22 1 ATOM 1133 N N . SER A 1 76 ? 4.62812 -39.26821 36.64549 1.000 27.79761 ? 219 SER C N 1 ATOM 1134 C CA . SER A 1 76 ? 4.95120 -40.61222 36.19967 1.000 27.37554 ? 219 SER C CA 1 ATOM 1135 C C . SER A 1 76 ? 3.70743 -41.48710 36.15964 1.000 26.37101 ? 219 SER C C 1 ATOM 1136 O O . SER A 1 76 ? 2.68764 -41.20514 36.79870 1.000 26.73373 ? 219 SER C O 1 ATOM 1137 C CB . SER A 1 76 ? 5.99457 -41.28715 37.09726 1.000 28.85313 ? 219 SER C CB 1 ATOM 1138 O OG . SER A 1 76 ? 5.47025 -41.49866 38.40371 1.000 30.88373 ? 219 SER C OG 1 ATOM 1139 H H . SER A 1 76 ? 4.10955 -39.23314 37.33065 1.000 33.35390 ? 219 SER C H 1 ATOM 1140 H HA . SER A 1 76 ? 5.29992 -40.53767 35.29760 1.000 32.84742 ? 219 SER C HA 1 ATOM 1141 H HB2 . SER A 1 76 ? 6.23808 -42.14313 36.71137 1.000 34.62053 ? 219 SER C HB2 1 ATOM 1142 H HB3 . SER A 1 76 ? 6.77644 -40.71634 37.15842 1.000 34.62053 ? 219 SER C HB3 1 ATOM 1143 H HG . SER A 1 76 ? 5.01405 -40.83451 38.64119 1.000 37.05724 ? 219 SER C HG 1 ATOM 1144 N N . ALA A 1 77 ? 3.82932 -42.56179 35.38971 1.000 24.29523 ? 220 ALA C N 1 ATOM 1145 C CA . ALA A 1 77 ? 2.89695 -43.66940 35.36143 1.000 23.24267 ? 220 ALA C CA 1 ATOM 1146 C C . ALA A 1 77 ? 3.64073 -44.89324 35.85724 1.000 23.50969 ? 220 ALA C C 1 ATOM 1147 O O . ALA A 1 77 ? 4.86780 -44.98600 35.71760 1.000 24.00047 ? 220 ALA C O 1 ATOM 1148 C CB . ALA A 1 77 ? 2.42304 -43.94046 33.92213 1.000 23.34025 ? 220 ALA C CB 1 ATOM 1149 H H . ALA A 1 77 ? 4.48456 -42.67456 34.84424 1.000 29.15104 ? 220 ALA C H 1 ATOM 1150 H HA . ALA A 1 77 ? 2.12203 -43.48925 35.91636 1.000 27.88797 ? 220 ALA C HA 1 ATOM 1151 H HB1 . ALA A 1 77 ? 1.78653 -44.67235 33.93179 1.000 28.00507 ? 220 ALA C HB1 1 ATOM 1152 H HB2 . ALA A 1 77 ? 2.00135 -43.13995 33.57246 1.000 28.00507 ? 220 ALA C HB2 1 ATOM 1153 H HB3 . ALA A 1 77 ? 3.18956 -44.17590 33.37632 1.000 28.00507 ? 220 ALA C HB3 1 ATOM 1154 N N . SER A 1 78 ? 2.89937 -45.84031 36.43214 1.000 24.18351 ? 221 SER C N 1 ATOM 1155 C CA . SER A 1 78 ? 3.53599 -47.03794 36.95146 1.000 24.48576 ? 221 SER C CA 1 ATOM 1156 C C . SER A 1 78 ? 2.72909 -48.27512 36.60817 1.000 23.44521 ? 221 SER C C 1 ATOM 1157 O O . SER A 1 78 ? 1.49827 -48.27122 36.67727 1.000 24.97636 ? 221 SER C O 1 ATOM 1158 C CB . SER A 1 78 ? 3.70292 -46.95844 38.47097 1.000 26.75225 ? 221 SER C CB 1 ATOM 1159 O OG . SER A 1 78 ? 4.76475 -46.08780 38.81306 1.000 28.44772 ? 221 SER C OG 1 ATOM 1160 H H . SER A 1 78 ? 2.04540 -45.80782 36.52843 1.000 29.01698 ? 221 SER C H 1 ATOM 1161 H HA . SER A 1 78 ? 4.40543 -47.12797 36.53091 1.000 29.37969 ? 221 SER C HA 1 ATOM 1162 H HB2 . SER A 1 78 ? 2.88091 -46.62374 38.86236 1.000 32.09947 ? 221 SER C HB2 1 ATOM 1163 H HB3 . SER A 1 78 ? 3.89724 -47.84449 38.81458 1.000 32.09947 ? 221 SER C HB3 1 ATOM 1164 H HG . SER A 1 78 ? 5.47858 -46.35174 38.45754 1.000 34.13404 ? 221 SER C HG 1 ATOM 1165 N N . LEU A 1 79 ? 3.45272 -49.33510 36.27402 1.000 23.36405 ? 222 LEU C N 1 ATOM 1166 C CA . LEU A 1 79 ? 2.91164 -50.67189 36.10083 1.000 22.77904 ? 222 LEU C CA 1 ATOM 1167 C C . LEU A 1 79 ? 3.32261 -51.45756 37.33296 1.000 22.90192 ? 222 LEU C C 1 ATOM 1168 O O . LEU A 1 79 ? 4.50739 -51.51050 37.65516 1.000 22.77793 ? 222 LEU C O 1 ATOM 1169 C CB . LEU A 1 79 ? 3.51592 -51.33491 34.86481 1.000 23.66546 ? 222 LEU C CB 1 ATOM 1170 C CG . LEU A 1 79 ? 3.07449 -52.76138 34.59652 1.000 22.87006 ? 222 LEU C CG 1 ATOM 1171 C CD1 . LEU A 1 79 ? 1.58823 -52.83459 34.26773 1.000 22.79369 ? 222 LEU C CD1 1 ATOM 1172 C CD2 . LEU A 1 79 ? 3.88666 -53.32970 33.44999 1.000 22.28095 ? 222 LEU C CD2 1 ATOM 1173 H H . LEU A 1 79 ? 4.30088 -49.30121 36.13592 1.000 28.03363 ? 222 LEU C H 1 ATOM 1174 H HA . LEU A 1 79 ? 1.94656 -50.64747 36.00644 1.000 27.33161 ? 222 LEU C HA 1 ATOM 1175 H HB2 . LEU A 1 79 ? 3.27205 -50.80730 34.08825 1.000 28.39532 ? 222 LEU C HB2 1 ATOM 1176 H HB3 . LEU A 1 79 ? 4.48031 -51.34673 34.96832 1.000 28.39532 ? 222 LEU C HB3 1 ATOM 1177 H HG . LEU A 1 79 ? 3.22094 -53.29171 35.39539 1.000 27.44084 ? 222 LEU C HG 1 ATOM 1178 H HD11 . LEU A 1 79 ? 1.36057 -53.74873 34.03661 1.000 27.34920 ? 222 LEU C HD11 1 ATOM 1179 H HD12 . LEU A 1 79 ? 1.07888 -52.55295 35.04372 1.000 27.34920 ? 222 LEU C HD12 1 ATOM 1180 H HD13 . LEU A 1 79 ? 1.40125 -52.24761 33.51848 1.000 27.34920 ? 222 LEU C HD13 1 ATOM 1181 H HD21 . LEU A 1 79 ? 3.61322 -54.24713 33.29358 1.000 26.73391 ? 222 LEU C HD21 1 ATOM 1182 H HD22 . LEU A 1 79 ? 3.72699 -52.79689 32.65531 1.000 26.73391 ? 222 LEU C HD22 1 ATOM 1183 H HD23 . LEU A 1 79 ? 4.82745 -53.30034 33.68440 1.000 26.73391 ? 222 LEU C HD23 1 ATOM 1184 N N . THR A 1 80 ? 2.35528 -52.03886 38.03053 1.000 22.93762 ? 223 THR C N 1 ATOM 1185 C CA . THR A 1 80 ? 2.63888 -52.84972 39.20202 1.000 24.53226 ? 223 THR C CA 1 ATOM 1186 C C . THR A 1 80 ? 2.23637 -54.28223 38.90964 1.000 24.02954 ? 223 THR C C 1 ATOM 1187 O O . THR A 1 80 ? 1.15610 -54.53290 38.36533 1.000 24.55320 ? 223 THR C O 1 ATOM 1188 C CB . THR A 1 80 ? 1.90102 -52.30152 40.41728 1.000 25.10726 ? 223 THR C CB 1 ATOM 1189 O OG1 . THR A 1 80 ? 2.36059 -50.97094 40.66915 1.000 28.74400 ? 223 THR C OG1 1 ATOM 1190 C CG2 . THR A 1 80 ? 2.13719 -53.17724 41.66453 1.000 25.84969 ? 223 THR C CG2 1 ATOM 1191 H H . THR A 1 80 ? 1.51880 -51.97613 37.84091 1.000 27.52192 ? 223 THR C H 1 ATOM 1192 H HA . THR A 1 80 ? 3.58736 -52.84268 39.40506 1.000 29.43548 ? 223 THR C HA 1 ATOM 1193 H HB . THR A 1 80 ? 0.94648 -52.29981 40.24477 1.000 30.12549 ? 223 THR C HB 1 ATOM 1194 H HG1 . THR A 1 80 ? 2.21934 -50.48629 39.99777 1.000 34.48957 ? 223 THR C HG1 1 ATOM 1195 H HG21 . THR A 1 80 ? 1.81805 -52.71840 42.45733 1.000 31.01640 ? 223 THR C HG21 1 ATOM 1196 H HG22 . THR A 1 80 ? 1.66172 -54.01791 41.57452 1.000 31.01640 ? 223 THR C HG22 1 ATOM 1197 H HG23 . THR A 1 80 ? 3.08421 -53.36057 41.76670 1.000 31.01640 ? 223 THR C HG23 1 ATOM 1198 N N . ILE A 1 81 ? 3.13441 -55.20578 39.22588 1.000 24.32827 ? 224 ILE C N 1 ATOM 1199 C CA . ILE A 1 81 ? 2.89869 -56.62753 39.08046 1.000 23.26019 ? 224 ILE C CA 1 ATOM 1200 C C . ILE A 1 81 ? 3.01370 -57.24061 40.46165 1.000 26.93731 ? 224 ILE C C 1 ATOM 1201 O O . ILE A 1 81 ? 4.11502 -57.30175 41.02389 1.000 27.13536 ? 224 ILE C O 1 ATOM 1202 C CB . ILE A 1 81 ? 3.88652 -57.28311 38.10761 1.000 25.35869 ? 224 ILE C CB 1 ATOM 1203 C CG1 . ILE A 1 81 ? 3.89692 -56.55166 36.76343 1.000 26.24515 ? 224 ILE C CG1 1 ATOM 1204 C CG2 . ILE A 1 81 ? 3.49686 -58.73452 37.93071 1.000 26.33165 ? 224 ILE C CG2 1 ATOM 1205 C CD1 . ILE A 1 81 ? 4.98532 -57.04813 35.83331 1.000 26.00346 ? 224 ILE C CD1 1 ATOM 1206 H H . ILE A 1 81 ? 3.91464 -55.02228 39.53761 1.000 29.19069 ? 224 ILE C H 1 ATOM 1207 H HA . ILE A 1 81 ? 1.99975 -56.77254 38.74611 1.000 27.90900 ? 224 ILE C HA 1 ATOM 1208 H HB . ILE A 1 81 ? 4.78383 -57.22695 38.47173 1.000 30.42720 ? 224 ILE C HB 1 ATOM 1209 H HG12 . ILE A 1 81 ? 3.04250 -56.68609 36.32435 1.000 31.49095 ? 224 ILE C HG12 1 ATOM 1210 H HG13 . ILE A 1 81 ? 4.04429 -55.60578 36.91997 1.000 31.49095 ? 224 ILE C HG13 1 ATOM 1211 H HG21 . ILE A 1 81 ? 4.01591 -59.11462 37.20475 1.000 31.59475 ? 224 ILE C HG21 1 ATOM 1212 H HG22 . ILE A 1 81 ? 3.67991 -59.21328 38.75422 1.000 31.59475 ? 224 ILE C HG22 1 ATOM 1213 H HG23 . ILE A 1 81 ? 2.55081 -58.78439 37.72238 1.000 31.59475 ? 224 ILE C HG23 1 ATOM 1214 H HD11 . ILE A 1 81 ? 5.08912 -56.41748 35.10365 1.000 31.20093 ? 224 ILE C HD11 1 ATOM 1215 H HD12 . ILE A 1 81 ? 5.81593 -57.11997 36.32912 1.000 31.20093 ? 224 ILE C HD12 1 ATOM 1216 H HD13 . ILE A 1 81 ? 4.73139 -57.91736 35.48565 1.000 31.20093 ? 224 ILE C HD13 1 ATOM 1217 N N . SER A 1 82 ? 1.89358 -57.71050 40.99934 1.000 28.14169 ? 225 SER C N 1 ATOM 1218 C CA . SER A 1 82 ? 1.94431 -58.42305 42.26627 1.000 29.96021 ? 225 SER C CA 1 ATOM 1219 C C . SER A 1 82 ? 2.08579 -59.91998 41.99131 1.000 29.04831 ? 225 SER C C 1 ATOM 1220 O O . SER A 1 82 ? 1.90569 -60.39484 40.86333 1.000 29.52382 ? 225 SER C O 1 ATOM 1221 C CB . SER A 1 82 ? 0.68946 -58.14024 43.08052 1.000 31.65899 ? 225 SER C CB 1 ATOM 1222 O OG . SER A 1 82 ? -0.44783 -58.71003 42.46937 1.000 34.52944 ? 225 SER C OG 1 ATOM 1223 H H . SER A 1 82 ? 1.10937 -57.63019 40.65559 1.000 33.76680 ? 225 SER C H 1 ATOM 1224 H HA . SER A 1 82 ? 2.70522 -58.12558 42.78917 1.000 35.94902 ? 225 SER C HA 1 ATOM 1225 H HB2 . SER A 1 82 ? 0.79572 -58.52132 43.96617 1.000 37.98756 ? 225 SER C HB2 1 ATOM 1226 H HB3 . SER A 1 82 ? 0.56514 -57.18041 43.14509 1.000 37.98756 ? 225 SER C HB3 1 ATOM 1227 H HG . SER A 1 82 ? -1.09924 -58.68985 42.99933 1.000 41.43210 ? 225 SER C HG 1 ATOM 1228 N N . GLY A 1 83 ? 2.42733 -60.66320 43.03660 1.000 28.73852 ? 226 GLY C N 1 ATOM 1229 C CA . GLY A 1 83 ? 2.57325 -62.09860 42.92469 1.000 28.94915 ? 226 GLY C CA 1 ATOM 1230 C C . GLY A 1 83 ? 3.40619 -62.52827 41.73540 1.000 28.06387 ? 226 GLY C C 1 ATOM 1231 O O . GLY A 1 83 ? 3.00846 -63.39570 40.95408 1.000 30.60217 ? 226 GLY C O 1 ATOM 1232 H H . GLY A 1 83 ? 2.58004 -60.35405 43.82445 1.000 34.48300 ? 226 GLY C H 1 ATOM 1233 H HA2 . GLY A 1 83 ? 2.99793 -62.43744 43.72827 1.000 34.73575 ? 226 GLY C HA2 1 ATOM 1234 H HA3 . GLY A 1 83 ? 1.69468 -62.50054 42.83832 1.000 34.73575 ? 226 GLY C HA3 1 ATOM 1235 N N . LEU A 1 84 ? 4.58707 -61.93566 41.61348 1.000 27.78512 ? 227 LEU C N 1 ATOM 1236 C CA . LEU A 1 84 ? 5.40660 -62.09642 40.42375 1.000 27.40577 ? 227 LEU C CA 1 ATOM 1237 C C . LEU A 1 84 ? 5.63568 -63.56198 40.09696 1.000 27.00105 ? 227 LEU C C 1 ATOM 1238 O O . LEU A 1 84 ? 5.92167 -64.37953 40.97217 1.000 25.89988 ? 227 LEU C O 1 ATOM 1239 C CB . LEU A 1 84 ? 6.75360 -61.42486 40.68498 1.000 26.32167 ? 227 LEU C CB 1 ATOM 1240 C CG . LEU A 1 84 ? 7.77552 -61.36674 39.56294 1.000 25.83998 ? 227 LEU C CG 1 ATOM 1241 C CD1 . LEU A 1 84 ? 7.22232 -60.50228 38.44462 1.000 26.85994 ? 227 LEU C CD1 1 ATOM 1242 C CD2 . LEU A 1 84 ? 9.07469 -60.82524 40.11306 1.000 27.24345 ? 227 LEU C CD2 1 ATOM 1243 H H . LEU A 1 84 ? 4.93990 -61.42960 42.21265 1.000 33.33892 ? 227 LEU C H 1 ATOM 1244 H HA . LEU A 1 84 ? 4.96282 -61.69135 39.66225 1.000 32.88369 ? 227 LEU C HA 1 ATOM 1245 H HB2 . LEU A 1 84 ? 6.57573 -60.50661 40.94203 1.000 31.58278 ? 227 LEU C HB2 1 ATOM 1246 H HB3 . LEU A 1 84 ? 7.17734 -61.89840 41.41786 1.000 31.58278 ? 227 LEU C HB3 1 ATOM 1247 H HG . LEU A 1 84 ? 7.95776 -62.24509 39.19391 1.000 31.00474 ? 227 LEU C HG 1 ATOM 1248 H HD11 . LEU A 1 84 ? 7.92903 -60.32328 37.80476 1.000 32.22870 ? 227 LEU C HD11 1 ATOM 1249 H HD12 . LEU A 1 84 ? 6.49494 -60.97488 38.01049 1.000 32.22870 ? 227 LEU C HD12 1 ATOM 1250 H HD13 . LEU A 1 84 ? 6.89770 -59.66912 38.82061 1.000 32.22870 ? 227 LEU C HD13 1 ATOM 1251 H HD21 . LEU A 1 84 ? 9.70234 -60.70794 39.38286 1.000 32.68891 ? 227 LEU C HD21 1 ATOM 1252 H HD22 . LEU A 1 84 ? 8.90453 -59.97262 40.54317 1.000 32.68891 ? 227 LEU C HD22 1 ATOM 1253 H HD23 . LEU A 1 84 ? 9.43168 -61.45568 40.75805 1.000 32.68891 ? 227 LEU C HD23 1 ATOM 1254 N N . LYS A 1 85 ? 5.51502 -63.88169 38.81770 1.000 29.31728 ? 228 LYS C N 1 ATOM 1255 C CA . LYS A 1 85 ? 5.69961 -65.22962 38.31565 1.000 32.48737 ? 228 LYS C CA 1 ATOM 1256 C C . LYS A 1 85 ? 6.85671 -65.25140 37.33184 1.000 31.44086 ? 228 LYS C C 1 ATOM 1257 O O . LYS A 1 85 ? 7.19108 -64.23644 36.72151 1.000 28.89718 ? 228 LYS C O 1 ATOM 1258 C CB . LYS A 1 85 ? 4.42000 -65.72936 37.62183 1.000 38.25944 ? 228 LYS C CB 1 ATOM 1259 C CG . LYS A 1 85 ? 3.32942 -66.17423 38.59302 1.000 44.72997 ? 228 LYS C CG 1 ATOM 1260 C CD . LYS A 1 85 ? 1.96647 -66.13239 37.92576 1.000 51.18266 ? 228 LYS C CD 1 ATOM 1261 C CE . LYS A 1 85 ? 1.14868 -67.37128 38.23364 1.000 57.93633 ? 228 LYS C CE 1 ATOM 1262 N NZ . LYS A 1 85 ? 0.64595 -67.97623 36.96497 1.000 65.11921 ? 228 LYS C NZ 1 ATOM 1263 H H . LYS A 1 85 ? 5.32002 -63.31417 38.20167 1.000 35.17751 ? 228 LYS C H 1 ATOM 1264 H HA . LYS A 1 85 ? 5.91021 -65.83141 39.04668 1.000 38.98161 ? 228 LYS C HA 1 ATOM 1265 H HB2 . LYS A 1 85 ? 4.05860 -65.01129 37.07899 1.000 45.90810 ? 228 LYS C HB2 1 ATOM 1266 H HB3 . LYS A 1 85 ? 4.64509 -66.48815 37.06107 1.000 45.90810 ? 228 LYS C HB3 1 ATOM 1267 H HG2 . LYS A 1 85 ? 3.50347 -67.08382 38.88155 1.000 53.67273 ? 228 LYS C HG2 1 ATOM 1268 H HG3 . LYS A 1 85 ? 3.31563 -65.57993 39.35952 1.000 53.67273 ? 228 LYS C HG3 1 ATOM 1269 H HD2 . LYS A 1 85 ? 1.47708 -65.35859 38.24612 1.000 61.41596 ? 228 LYS C HD2 1 ATOM 1270 H HD3 . LYS A 1 85 ? 2.08256 -66.07681 36.96434 1.000 61.41596 ? 228 LYS C HD3 1 ATOM 1271 H HE2 . LYS A 1 85 ? 1.70190 -68.02300 38.69202 1.000 69.52037 ? 228 LYS C HE2 1 ATOM 1272 H HE3 . LYS A 1 85 ? 0.38908 -67.13262 38.78768 1.000 69.52037 ? 228 LYS C HE3 1 ATOM 1273 H HZ1 . LYS A 1 85 ? 0.16254 -68.70167 37.14428 1.000 78.13982 ? 228 LYS C HZ1 1 ATOM 1274 H HZ2 . LYS A 1 85 ? 0.13698 -67.39045 36.52917 1.000 78.13982 ? 228 LYS C HZ2 1 ATOM 1275 H HZ3 . LYS A 1 85 ? 1.33076 -68.20665 36.44532 1.000 78.13982 ? 228 LYS C HZ3 1 ATOM 1276 N N . THR A 1 86 ? 7.48837 -66.41588 37.19901 1.000 35.04273 ? 229 THR C N 1 ATOM 1277 C CA . THR A 1 86 ? 8.59690 -66.52366 36.25933 1.000 38.22592 ? 229 THR C CA 1 ATOM 1278 C C . THR A 1 86 ? 8.17209 -66.12557 34.85286 1.000 36.44537 ? 229 THR C C 1 ATOM 1279 O O . THR A 1 86 ? 8.97001 -65.54967 34.10670 1.000 34.59002 ? 229 THR C O 1 ATOM 1280 C CB . THR A 1 86 ? 9.17170 -67.94450 36.25519 1.000 45.36180 ? 229 THR C CB 1 ATOM 1281 O OG1 . THR A 1 86 ? 8.12119 -68.89111 36.01213 1.000 52.62103 ? 229 THR C OG1 1 ATOM 1282 C CG2 . THR A 1 86 ? 9.84094 -68.25253 37.58034 1.000 44.57848 ? 229 THR C CG2 1 ATOM 1283 H H . THR A 1 86 ? 7.29974 -67.13660 37.62864 1.000 42.04805 ? 229 THR C H 1 ATOM 1284 H HA . THR A 1 86 ? 9.30214 -65.92426 36.54962 1.000 45.86787 ? 229 THR C HA 1 ATOM 1285 H HB . THR A 1 86 ? 9.83819 -68.02190 35.55469 1.000 54.43093 ? 229 THR C HB 1 ATOM 1286 H HG1 . THR A 1 86 ? 8.42290 -69.67361 36.05965 1.000 63.14201 ? 229 THR C HG1 1 ATOM 1287 H HG21 . THR A 1 86 ? 10.18227 -69.16049 37.57648 1.000 53.49095 ? 229 THR C HG21 1 ATOM 1288 H HG22 . THR A 1 86 ? 10.57785 -67.63983 37.73019 1.000 53.49095 ? 229 THR C HG22 1 ATOM 1289 H HG23 . THR A 1 86 ? 9.20201 -68.15949 38.30423 1.000 53.49095 ? 229 THR C HG23 1 ATOM 1290 N N . GLU A 1 87 ? 6.92408 -66.41930 34.47518 1.000 35.48935 ? 230 GLU C N 1 ATOM 1291 C CA . GLU A 1 87 ? 6.43337 -66.09551 33.14173 1.000 37.12299 ? 230 GLU C CA 1 ATOM 1292 C C . GLU A 1 87 ? 6.33848 -64.59248 32.90807 1.000 31.24244 ? 230 GLU C C 1 ATOM 1293 O O . GLU A 1 87 ? 6.15839 -64.16699 31.75678 1.000 30.04407 ? 230 GLU C O 1 ATOM 1294 C CB . GLU A 1 87 ? 5.05750 -66.74283 32.91440 1.000 46.06333 ? 230 GLU C CB 1 ATOM 1295 C CG . GLU A 1 87 ? 3.87287 -65.93228 33.44635 1.000 53.92978 ? 230 GLU C CG 1 ATOM 1296 C CD . GLU A 1 87 ? 2.67634 -66.79090 33.86140 1.000 62.56228 ? 230 GLU C CD 1 ATOM 1297 O OE1 . GLU A 1 87 ? 1.52166 -66.34011 33.67959 1.000 64.66870 ? 230 GLU C OE1 1 ATOM 1298 O OE2 . GLU A 1 87 ? 2.88715 -67.90462 34.38666 1.000 65.16217 -1 230 GLU C OE2 1 ATOM 1299 H H . GLU A 1 87 ? 6.34329 -66.80719 34.97700 1.000 42.58399 ? 230 GLU C H 1 ATOM 1300 H HA . GLU A 1 87 ? 7.04552 -66.46395 32.48566 1.000 44.54436 ? 230 GLU C HA 1 ATOM 1301 H HB2 . GLU A 1 87 ? 4.92615 -66.86029 31.96054 1.000 55.27276 ? 230 GLU C HB2 1 ATOM 1302 H HB3 . GLU A 1 87 ? 5.04515 -67.60454 33.35959 1.000 55.27276 ? 230 GLU C HB3 1 ATOM 1303 H HG2 . GLU A 1 87 ? 4.16172 -65.43121 34.22507 1.000 64.71251 ? 230 GLU C HG2 1 ATOM 1304 H HG3 . GLU A 1 87 ? 3.57391 -65.32390 32.75252 1.000 64.71251 ? 230 GLU C HG3 1 ATOM 1305 N N . ASP A 1 88 ? 6.44411 -63.77697 33.96441 1.000 27.59608 ? 231 ASP C N 1 ATOM 1306 C CA . ASP A 1 88 ? 6.40375 -62.32994 33.81038 1.000 24.64503 ? 231 ASP C CA 1 ATOM 1307 C C . ASP A 1 88 ? 7.72024 -61.75723 33.31753 1.000 24.02760 ? 231 ASP C C 1 ATOM 1308 O O . ASP A 1 88 ? 7.77459 -60.56964 32.98790 1.000 23.16949 ? 231 ASP C O 1 ATOM 1309 C CB . ASP A 1 88 ? 6.03218 -61.68523 35.14702 1.000 23.49003 ? 231 ASP C CB 1 ATOM 1310 C CG . ASP A 1 88 ? 4.64582 -62.08573 35.61888 1.000 26.28923 ? 231 ASP C CG 1 ATOM 1311 O OD1 . ASP A 1 88 ? 3.79500 -62.43810 34.78228 1.000 25.48501 ? 231 ASP C OD1 1 ATOM 1312 O OD2 . ASP A 1 88 ? 4.41219 -62.05368 36.84821 1.000 25.83462 -1 231 ASP C OD2 1 ATOM 1313 H H . ASP A 1 88 ? 6.53957 -64.04272 34.77673 1.000 33.11207 ? 231 ASP C H 1 ATOM 1314 H HA . ASP A 1 88 ? 5.72042 -62.09776 33.16227 1.000 29.57081 ? 231 ASP C HA 1 ATOM 1315 H HB2 . ASP A 1 88 ? 6.67168 -61.96251 35.82159 1.000 28.18480 ? 231 ASP C HB2 1 ATOM 1316 H HB3 . ASP A 1 88 ? 6.05008 -60.72030 35.04962 1.000 28.18480 ? 231 ASP C HB3 1 ATOM 1317 N N . GLU A 1 89 ? 8.77247 -62.56614 33.27995 1.000 25.84086 ? 232 GLU C N 1 ATOM 1318 C CA . GLU A 1 89 ? 10.03475 -62.13646 32.70228 1.000 27.77795 ? 232 GLU C CA 1 ATOM 1319 C C . GLU A 1 89 ? 9.81714 -61.73680 31.25360 1.000 24.95875 ? 232 GLU C C 1 ATOM 1320 O O . GLU A 1 89 ? 9.37611 -62.54614 30.43590 1.000 26.50538 ? 232 GLU C O 1 ATOM 1321 C CB . GLU A 1 89 ? 11.00298 -63.31126 32.76378 1.000 34.15147 ? 232 GLU C CB 1 ATOM 1322 C CG . GLU A 1 89 ? 12.46164 -62.95331 32.80929 1.000 41.73670 ? 232 GLU C CG 1 ATOM 1323 C CD . GLU A 1 89 ? 13.25745 -64.08260 33.41085 1.000 40.63700 ? 232 GLU C CD 1 ATOM 1324 O OE1 . GLU A 1 89 ? 13.28569 -65.17114 32.79982 1.000 42.31773 ? 232 GLU C OE1 1 ATOM 1325 O OE2 . GLU A 1 89 ? 13.80420 -63.90635 34.51716 1.000 38.41950 -1 232 GLU C OE2 1 ATOM 1326 H H . GLU A 1 89 ? 8.77991 -63.37073 33.58357 1.000 31.00580 ? 232 GLU C H 1 ATOM 1327 H HA . GLU A 1 89 ? 10.39722 -61.37972 33.18896 1.000 33.33031 ? 232 GLU C HA 1 ATOM 1328 H HB2 . GLU A 1 89 ? 10.80774 -63.82463 33.56330 1.000 40.97854 ? 232 GLU C HB2 1 ATOM 1329 H HB3 . GLU A 1 89 ? 10.86592 -63.85980 31.97560 1.000 40.97854 ? 232 GLU C HB3 1 ATOM 1330 H HG2 . GLU A 1 89 ? 12.78520 -62.79038 31.90948 1.000 50.08081 ? 232 GLU C HG2 1 ATOM 1331 H HG3 . GLU A 1 89 ? 12.58564 -62.16100 33.35498 1.000 50.08081 ? 232 GLU C HG3 1 ATOM 1332 N N . ALA A 1 90 ? 10.14789 -60.49557 30.93522 1.000 22.58647 ? 233 ALA C N 1 ATOM 1333 C CA . ALA A 1 90 ? 9.82570 -59.90833 29.64469 1.000 22.00659 ? 233 ALA C CA 1 ATOM 1334 C C . ALA A 1 90 ? 10.33002 -58.47609 29.68907 1.000 20.67240 ? 233 ALA C C 1 ATOM 1335 O O . ALA A 1 90 ? 10.77907 -57.98545 30.72858 1.000 19.87123 ? 233 ALA C O 1 ATOM 1336 C CB . ALA A 1 90 ? 8.31515 -59.92170 29.39121 1.000 23.86683 ? 233 ALA C CB 1 ATOM 1337 H H . ALA A 1 90 ? 10.56880 -59.96111 31.46132 1.000 27.10054 ? 233 ALA C H 1 ATOM 1338 H HA . ALA A 1 90 ? 10.26962 -60.39014 28.92936 1.000 26.40468 ? 233 ALA C HA 1 ATOM 1339 H HB1 . ALA A 1 90 ? 8.13237 -59.47712 28.54869 1.000 28.63697 ? 233 ALA C HB1 1 ATOM 1340 H HB2 . ALA A 1 90 ? 8.00947 -60.84148 29.35301 1.000 28.63697 ? 233 ALA C HB2 1 ATOM 1341 H HB3 . ALA A 1 90 ? 7.86930 -59.45476 30.11515 1.000 28.63697 ? 233 ALA C HB3 1 ATOM 1342 N N . ASP A 1 91 ? 10.26863 -57.82324 28.53741 1.000 20.90308 ? 234 ASP C N 1 ATOM 1343 C CA . ASP A 1 91 ? 10.46136 -56.38062 28.45990 1.000 21.06332 ? 234 ASP C CA 1 ATOM 1344 C C . ASP A 1 91 ? 9.09936 -55.70336 28.51795 1.000 21.37263 ? 234 ASP C C 1 ATOM 1345 O O . ASP A 1 91 ? 8.12383 -56.18896 27.93223 1.000 25.05750 ? 234 ASP C O 1 ATOM 1346 C CB . ASP A 1 91 ? 11.19837 -55.99381 27.17216 1.000 23.41452 ? 234 ASP C CB 1 ATOM 1347 C CG . ASP A 1 91 ? 12.62018 -56.53960 27.12606 1.000 26.42578 ? 234 ASP C CG 1 ATOM 1348 O OD1 . ASP A 1 91 ? 13.13741 -56.93971 28.18341 1.000 29.13097 ? 234 ASP C OD1 1 ATOM 1349 O OD2 . ASP A 1 91 ? 13.21404 -56.62562 26.02824 1.000 28.10131 -1 234 ASP C OD2 1 ATOM 1350 H H . ASP A 1 91 ? 10.11504 -58.19625 27.77788 1.000 25.08047 ? 234 ASP C H 1 ATOM 1351 H HA . ASP A 1 91 ? 11.00331 -56.07168 29.20270 1.000 25.27275 ? 234 ASP C HA 1 ATOM 1352 H HB2 . ASP A 1 91 ? 10.71449 -56.35034 26.41082 1.000 28.09419 ? 234 ASP C HB2 1 ATOM 1353 H HB3 . ASP A 1 91 ? 11.24530 -55.02681 27.11218 1.000 28.09419 ? 234 ASP C HB3 1 ATOM 1354 N N . TYR A 1 92 ? 9.03311 -54.57722 29.22098 1.000 18.71417 ? 235 TYR C N 1 ATOM 1355 C CA . TYR A 1 92 ? 7.79909 -53.82401 29.36272 1.000 18.35459 ? 235 TYR C CA 1 ATOM 1356 C C . TYR A 1 92 ? 8.02649 -52.40955 28.86747 1.000 17.97979 ? 235 TYR C C 1 ATOM 1357 O O . TYR A 1 92 ? 9.05200 -51.78693 29.19283 1.000 19.12225 ? 235 TYR C O 1 ATOM 1358 C CB . TYR A 1 92 ? 7.35533 -53.79675 30.82662 1.000 18.54161 ? 235 TYR C CB 1 ATOM 1359 C CG . TYR A 1 92 ? 6.94653 -55.15738 31.29758 1.000 19.15369 ? 235 TYR C CG 1 ATOM 1360 C CD1 . TYR A 1 92 ? 7.88721 -56.05458 31.79307 1.000 20.04341 ? 235 TYR C CD1 1 ATOM 1361 C CD2 . TYR A 1 92 ? 5.61964 -55.57781 31.20093 1.000 18.79575 ? 235 TYR C CD2 1 ATOM 1362 C CE1 . TYR A 1 92 ? 7.51924 -57.31960 32.20719 1.000 19.84046 ? 235 TYR C CE1 1 ATOM 1363 C CE2 . TYR A 1 92 ? 5.24560 -56.83145 31.62350 1.000 19.17555 ? 235 TYR C CE2 1 ATOM 1364 C CZ . TYR A 1 92 ? 6.19969 -57.69678 32.12655 1.000 20.30285 ? 235 TYR C CZ 1 ATOM 1365 O OH . TYR A 1 92 ? 5.80991 -58.93855 32.52141 1.000 21.94559 ? 235 TYR C OH 1 ATOM 1366 H H . TYR A 1 92 ? 9.70305 -54.22652 29.63058 1.000 22.45378 ? 235 TYR C H 1 ATOM 1367 H HA . TYR A 1 92 ? 7.09859 -54.23054 28.82894 1.000 22.02227 ? 235 TYR C HA 1 ATOM 1368 H HB2 . TYR A 1 92 ? 8.09078 -53.48948 31.37943 1.000 22.24670 ? 235 TYR C HB2 1 ATOM 1369 H HB3 . TYR A 1 92 ? 6.59704 -53.19930 30.92122 1.000 22.24670 ? 235 TYR C HB3 1 ATOM 1370 H HD1 . TYR A 1 92 ? 8.77951 -55.79796 31.84636 1.000 24.04886 ? 235 TYR C HD1 1 ATOM 1371 H HD2 . TYR A 1 92 ? 4.98037 -55.00294 30.84630 1.000 22.55167 ? 235 TYR C HD2 1 ATOM 1372 H HE1 . TYR A 1 92 ? 8.15741 -57.91016 32.53717 1.000 23.80533 ? 235 TYR C HE1 1 ATOM 1373 H HE2 . TYR A 1 92 ? 4.35559 -57.09612 31.57130 1.000 23.00743 ? 235 TYR C HE2 1 ATOM 1374 H HH . TYR A 1 92 ? 6.46585 -59.46314 32.50874 1.000 26.33147 ? 235 TYR C HH 1 ATOM 1375 N N . TYR A 1 93 ? 7.08572 -51.90783 28.07172 1.000 17.39511 ? 236 TYR C N 1 ATOM 1376 C CA . TYR A 1 93 ? 7.18663 -50.57160 27.51218 1.000 17.71534 ? 236 TYR C CA 1 ATOM 1377 C C . TYR A 1 93 ? 5.95974 -49.77186 27.88759 1.000 18.46565 ? 236 TYR C C 1 ATOM 1378 O O . TYR A 1 93 ? 4.84363 -50.25980 27.73345 1.000 18.90131 ? 236 TYR C O 1 ATOM 1379 C CB . TYR A 1 93 ? 7.21233 -50.63711 25.98528 1.000 18.59603 ? 236 TYR C CB 1 ATOM 1380 C CG . TYR A 1 93 ? 8.48426 -51.21629 25.45363 1.000 18.64309 ? 236 TYR C CG 1 ATOM 1381 C CD1 . TYR A 1 93 ? 9.57483 -50.40614 25.18656 1.000 17.65613 ? 236 TYR C CD1 1 ATOM 1382 C CD2 . TYR A 1 93 ? 8.59337 -52.58260 25.21886 1.000 17.69582 ? 236 TYR C CD2 1 ATOM 1383 C CE1 . TYR A 1 93 ? 10.74239 -50.94758 24.69283 1.000 17.79992 ? 236 TYR C CE1 1 ATOM 1384 C CE2 . TYR A 1 93 ? 9.76333 -53.12420 24.72095 1.000 17.58294 ? 236 TYR C CE2 1 ATOM 1385 C CZ . TYR A 1 93 ? 10.83273 -52.29356 24.46180 1.000 17.70333 ? 236 TYR C CZ 1 ATOM 1386 O OH . TYR A 1 93 ? 11.99695 -52.85868 23.98763 1.000 20.72678 ? 236 TYR C OH 1 ATOM 1387 H H . TYR A 1 93 ? 6.37319 -52.33082 27.84155 1.000 20.87090 ? 236 TYR C H 1 ATOM 1388 H HA . TYR A 1 93 ? 7.98652 -50.14864 27.86172 1.000 21.25518 ? 236 TYR C HA 1 ATOM 1389 H HB2 . TYR A 1 93 ? 6.47839 -51.19333 25.68056 1.000 22.31201 ? 236 TYR C HB2 1 ATOM 1390 H HB3 . TYR A 1 93 ? 7.11870 -49.73980 25.62897 1.000 22.31201 ? 236 TYR C HB3 1 ATOM 1391 H HD1 . TYR A 1 93 ? 9.51928 -49.49078 25.34127 1.000 21.18412 ? 236 TYR C HD1 1 ATOM 1392 H HD2 . TYR A 1 93 ? 7.87012 -53.13877 25.39913 1.000 21.23176 ? 236 TYR C HD2 1 ATOM 1393 H HE1 . TYR A 1 93 ? 11.47066 -50.39682 24.51625 1.000 21.35668 ? 236 TYR C HE1 1 ATOM 1394 H HE2 . TYR A 1 93 ? 9.82848 -54.03829 24.56255 1.000 21.09630 ? 236 TYR C HE2 1 ATOM 1395 H HH . TYR A 1 93 ? 12.64258 -52.33683 24.11579 1.000 24.86891 ? 236 TYR C HH 1 ATOM 1396 N N . CYS A 1 94 ? 6.16877 -48.54333 28.33064 1.000 18.26678 ? 237 CYS C N 1 ATOM 1397 C CA . CYS A 1 94 ? 5.06830 -47.59842 28.39534 1.000 17.47921 ? 237 CYS C CA 1 ATOM 1398 C C . CYS A 1 94 ? 4.95464 -46.83898 27.07654 1.000 17.28161 ? 237 CYS C C 1 ATOM 1399 O O . CYS A 1 94 ? 5.89033 -46.78653 26.27661 1.000 17.24438 ? 237 CYS C O 1 ATOM 1400 C CB . CYS A 1 94 ? 5.18511 -46.63461 29.57471 1.000 20.14936 ? 237 CYS C CB 1 ATOM 1401 S SG . CYS A 1 94 ? 6.64967 -45.58753 29.52737 1.000 23.21375 ? 237 CYS C SG 1 ATOM 1402 H H . CYS A 1 94 ? 6.92769 -48.23765 28.59560 1.000 21.91690 ? 237 CYS C H 1 ATOM 1403 H HA . CYS A 1 94 ? 4.24626 -48.09203 28.54197 1.000 20.97182 ? 237 CYS C HA 1 ATOM 1404 H HB2 . CYS A 1 94 ? 4.40793 -46.05420 29.57925 1.000 24.17600 ? 237 CYS C HB2 1 ATOM 1405 H HB3 . CYS A 1 94 ? 5.21839 -47.15090 30.39522 1.000 24.17600 ? 237 CYS C HB3 1 ATOM 1406 N N . GLN A 1 95 ? 3.77839 -46.25708 26.85402 1.000 18.06810 ? 238 GLN C N 1 ATOM 1407 C CA . GLN A 1 95 ? 3.51185 -45.53541 25.62251 1.000 17.73949 ? 238 GLN C CA 1 ATOM 1408 C C . GLN A 1 95 ? 2.49181 -44.44337 25.89222 1.000 18.49111 ? 238 GLN C C 1 ATOM 1409 O O . GLN A 1 95 ? 1.52364 -44.66289 26.62889 1.000 18.84270 ? 238 GLN C O 1 ATOM 1410 C CB . GLN A 1 95 ? 2.98190 -46.51223 24.58867 1.000 19.03115 ? 238 GLN C CB 1 ATOM 1411 C CG . GLN A 1 95 ? 2.76714 -45.92071 23.22400 1.000 20.77829 ? 238 GLN C CG 1 ATOM 1412 C CD . GLN A 1 95 ? 1.31687 -45.86845 22.90171 1.000 22.74865 ? 238 GLN C CD 1 ATOM 1413 O OE1 . GLN A 1 95 ? 0.63888 -46.90241 22.87520 1.000 21.60613 ? 238 GLN C OE1 1 ATOM 1414 N NE2 . GLN A 1 95 ? 0.80876 -44.66413 22.66068 1.000 24.28155 ? 238 GLN C NE2 1 ATOM 1415 H H A GLN A 1 95 ? 3.11873 -46.26854 27.40567 0.002 21.67850 ? 238 GLN C H 1 ATOM 1416 H H B GLN A 1 95 ? 3.11873 -46.26854 27.40567 0.998 21.67850 ? 238 GLN C H 1 ATOM 1417 H HA . GLN A 1 95 ? 4.31294 -45.10160 25.28938 1.000 21.28415 ? 238 GLN C HA 1 ATOM 1418 H HB2 . GLN A 1 95 ? 3.61763 -47.23899 24.49611 1.000 22.83415 ? 238 GLN C HB2 1 ATOM 1419 H HB3 . GLN A 1 95 ? 2.12848 -46.85519 24.89682 1.000 22.83415 ? 238 GLN C HB3 1 ATOM 1420 H HG2 . GLN A 1 95 ? 3.12180 -45.01815 23.20179 1.000 24.93072 ? 238 GLN C HG2 1 ATOM 1421 H HG3 . GLN A 1 95 ? 3.21242 -46.46860 22.55883 1.000 24.93072 ? 238 GLN C HG3 1 ATOM 1422 H HE21 . GLN A 1 95 ? 1.31421 -43.96924 22.69598 1.000 29.13462 ? 238 GLN C HE21 1 ATOM 1423 H HE22 . GLN A 1 95 ? -0.02546 -44.57979 22.46943 1.000 29.13462 ? 238 GLN C HE22 1 ATOM 1424 N N . SER A 1 96 ? 2.70407 -43.29069 25.26968 1.000 17.79871 ? 239 SER C N 1 ATOM 1425 C CA . SER A 1 96 ? 1.78812 -42.17253 25.36004 1.000 17.46113 ? 239 SER C CA 1 ATOM 1426 C C . SER A 1 96 ? 1.80389 -41.45911 24.00594 1.000 18.29646 ? 239 SER C C 1 ATOM 1427 O O . SER A 1 96 ? 2.18096 -42.04995 22.98352 1.000 19.12381 ? 239 SER C O 1 ATOM 1428 C CB . SER A 1 96 ? 2.12699 -41.31065 26.59532 1.000 17.37860 ? 239 SER C CB 1 ATOM 1429 O OG . SER A 1 96 ? 1.10532 -40.35776 26.87473 1.000 19.50331 ? 239 SER C OG 1 ATOM 1430 H H . SER A 1 96 ? 3.39067 -43.13147 24.77691 1.000 21.35522 ? 239 SER C H 1 ATOM 1431 H HA . SER A 1 96 ? 0.88021 -42.48726 25.49251 1.000 20.95013 ? 239 SER C HA 1 ATOM 1432 H HB2 . SER A 1 96 ? 2.22779 -41.89376 27.36390 1.000 20.85109 ? 239 SER C HB2 1 ATOM 1433 H HB3 . SER A 1 96 ? 2.95678 -40.83738 26.42686 1.000 20.85109 ? 239 SER C HB3 1 ATOM 1434 H HG . SER A 1 96 ? 0.42955 -40.74501 27.18933 1.000 23.40074 ? 239 SER C HG 1 ATOM 1435 N N . TYR A 1 97 ? 1.38230 -40.20474 23.98685 1.000 18.30541 ? 240 TYR C N 1 ATOM 1436 C CA . TYR A 1 97 ? 1.22669 -39.46354 22.73842 1.000 18.18085 ? 240 TYR C CA 1 ATOM 1437 C C . TYR A 1 97 ? 1.57278 -38.00029 22.96149 1.000 20.37987 ? 240 TYR C C 1 ATOM 1438 O O . TYR A 1 97 ? 1.16623 -37.39300 23.95855 1.000 21.34476 ? 240 TYR C O 1 ATOM 1439 C CB . TYR A 1 97 ? -0.21843 -39.59675 22.22683 1.000 18.38594 ? 240 TYR C CB 1 ATOM 1440 C CG . TYR A 1 97 ? -0.45828 -39.05434 20.83516 1.000 18.31232 ? 240 TYR C CG 1 ATOM 1441 C CD1 . TYR A 1 97 ? -0.06791 -39.76888 19.71418 1.000 17.88347 ? 240 TYR C CD1 1 ATOM 1442 C CD2 . TYR A 1 97 ? -1.11671 -37.83136 20.64273 1.000 20.30503 ? 240 TYR C CD2 1 ATOM 1443 C CE1 . TYR A 1 97 ? -0.30121 -39.26647 18.43066 1.000 17.66334 ? 240 TYR C CE1 1 ATOM 1444 C CE2 . TYR A 1 97 ? -1.34260 -37.32936 19.36235 1.000 21.41722 ? 240 TYR C CE2 1 ATOM 1445 C CZ . TYR A 1 97 ? -0.93051 -38.06514 18.28134 1.000 20.02007 ? 240 TYR C CZ 1 ATOM 1446 O OH . TYR A 1 97 ? -1.15584 -37.58980 16.98037 1.000 22.58157 ? 240 TYR C OH 1 ATOM 1447 H H . TYR A 1 97 ? 1.17680 -39.75279 24.68906 1.000 21.96326 ? 240 TYR C H 1 ATOM 1448 H HA . TYR A 1 97 ? 1.84094 -39.80504 22.06986 1.000 21.81380 ? 240 TYR C HA 1 ATOM 1449 H HB2 . TYR A 1 97 ? -0.45475 -40.53747 22.21665 1.000 22.05990 ? 240 TYR C HB2 1 ATOM 1450 H HB3 . TYR A 1 97 ? -0.80361 -39.11421 22.83149 1.000 22.05990 ? 240 TYR C HB3 1 ATOM 1451 H HD1 . TYR A 1 97 ? 0.35378 -40.59142 19.81668 1.000 21.45694 ? 240 TYR C HD1 1 ATOM 1452 H HD2 . TYR A 1 97 ? -1.40745 -37.34725 21.38166 1.000 24.36280 ? 240 TYR C HD2 1 ATOM 1453 H HE1 . TYR A 1 97 ? -0.02912 -39.74817 17.68312 1.000 21.19278 ? 240 TYR C HE1 1 ATOM 1454 H HE2 . TYR A 1 97 ? -1.76546 -36.50965 19.24332 1.000 25.69743 ? 240 TYR C HE2 1 ATOM 1455 H HH . TYR A 1 97 ? -1.64799 -36.90949 17.00427 1.000 27.09466 ? 240 TYR C HH 1 ATOM 1456 N N . ASP A 1 98 ? 2.34112 -37.44463 22.03029 1.000 20.26294 ? 241 ASP C N 1 ATOM 1457 C CA . ASP A 1 98 ? 2.77467 -36.05449 22.07296 1.000 21.76935 ? 241 ASP C CA 1 ATOM 1458 C C . ASP A 1 98 ? 1.87721 -35.27227 21.11960 1.000 21.48757 ? 241 ASP C C 1 ATOM 1459 O O . ASP A 1 98 ? 1.97844 -35.40510 19.89306 1.000 21.50634 ? 241 ASP C O 1 ATOM 1460 C CB . ASP A 1 98 ? 4.24404 -35.93657 21.68642 1.000 23.45081 ? 241 ASP C CB 1 ATOM 1461 C CG . ASP A 1 98 ? 4.77964 -34.51847 21.82257 1.000 25.40040 ? 241 ASP C CG 1 ATOM 1462 O OD1 . ASP A 1 98 ? 4.15204 -33.57413 21.30319 1.000 26.84766 ? 241 ASP C OD1 1 ATOM 1463 O OD2 . ASP A 1 98 ? 5.84865 -34.34358 22.44919 1.000 25.48907 -1 241 ASP C OD2 1 ATOM 1464 H H . ASP A 1 98 ? 2.63336 -37.86804 21.34115 1.000 24.31229 ? 241 ASP C H 1 ATOM 1465 H HA . ASP A 1 98 ? 2.67522 -35.69381 22.96790 1.000 26.11999 ? 241 ASP C HA 1 ATOM 1466 H HB2 . ASP A 1 98 ? 4.76955 -36.51188 22.26414 1.000 28.13774 ? 241 ASP C HB2 1 ATOM 1467 H HB3 . ASP A 1 98 ? 4.34999 -36.20916 20.76156 1.000 28.13774 ? 241 ASP C HB3 1 ATOM 1468 N N . ARG A 1 99 ? 0.98930 -34.46291 21.68824 1.000 23.80507 ? 242 ARG C N 1 ATOM 1469 C CA . ARG A 1 99 ? 0.01571 -33.75356 20.87461 1.000 25.31176 ? 242 ARG C CA 1 ATOM 1470 C C . ARG A 1 99 ? 0.64909 -32.63095 20.07167 1.000 27.44398 ? 242 ARG C C 1 ATOM 1471 O O . ARG A 1 99 ? 0.10050 -32.23236 19.03434 1.000 29.77663 ? 242 ARG C O 1 ATOM 1472 C CB . ARG A 1 99 ? -1.05105 -33.14297 21.77736 1.000 25.92347 ? 242 ARG C CB 1 ATOM 1473 C CG . ARG A 1 99 ? -1.88911 -34.14526 22.48378 1.000 25.62115 ? 242 ARG C CG 1 ATOM 1474 C CD . ARG A 1 99 ? -2.73201 -33.45832 23.53102 1.000 26.64171 ? 242 ARG C CD 1 ATOM 1475 N NE . ARG A 1 99 ? -3.36966 -34.42178 24.40364 1.000 25.72887 ? 242 ARG C NE 1 ATOM 1476 C CZ . ARG A 1 99 ? -4.68056 -34.61620 24.46995 1.000 24.61374 ? 242 ARG C CZ 1 ATOM 1477 N NH1 . ARG A 1 99 ? -5.52933 -33.86264 23.77097 1.000 25.22052 ? 242 ARG C NH1 1 ATOM 1478 N NH2 . ARG A 1 99 ? -5.15208 -35.59478 25.25077 1.000 23.53579 ? 242 ARG C NH2 1 ATOM 1479 H H . ARG A 1 99 ? 0.93127 -34.30998 22.53254 1.000 28.56286 ? 242 ARG C H 1 ATOM 1480 H HA . ARG A 1 99 ? -0.38592 -34.39080 20.26345 1.000 30.37088 ? 242 ARG C HA 1 ATOM 1481 H HB2 . ARG A 1 99 ? -0.61423 -32.59686 22.44957 1.000 31.10493 ? 242 ARG C HB2 1 ATOM 1482 H HB3 . ARG A 1 99 ? -1.64004 -32.59457 21.23585 1.000 31.10493 ? 242 ARG C HB3 1 ATOM 1483 H HG2 . ARG A 1 99 ? -2.47650 -34.58649 21.85039 1.000 30.74215 ? 242 ARG C HG2 1 ATOM 1484 H HG3 . ARG A 1 99 ? -1.32066 -34.79901 22.92010 1.000 30.74215 ? 242 ARG C HG3 1 ATOM 1485 H HD2 . ARG A 1 99 ? -2.16886 -32.88170 24.07072 1.000 31.96682 ? 242 ARG C HD2 1 ATOM 1486 H HD3 . ARG A 1 99 ? -3.42290 -32.93453 23.09603 1.000 31.96682 ? 242 ARG C HD3 1 ATOM 1487 H HE . ARG A 1 99 ? -2.86614 -34.89896 24.91193 1.000 30.87141 ? 242 ARG C HE 1 ATOM 1488 H HH11 . ARG A 1 99 ? -5.23041 -33.23545 23.26414 1.000 30.26140 ? 242 ARG C HH11 1 ATOM 1489 H HH12 . ARG A 1 99 ? -6.37584 -34.00366 23.82683 1.000 30.26140 ? 242 ARG C HH12 1 ATOM 1490 H HH21 . ARG A 1 99 ? -4.60791 -36.08637 25.70001 1.000 28.23972 ? 242 ARG C HH21 1 ATOM 1491 H HH22 . ARG A 1 99 ? -5.99938 -35.73228 25.30348 1.000 28.23972 ? 242 ARG C HH22 1 ATOM 1492 N N . SER A 1 100 ? 1.77325 -32.08572 20.54407 1.000 29.90377 ? 243 SER C N 1 ATOM 1493 C CA . SER A 1 100 ? 2.39610 -30.97837 19.83148 1.000 34.86931 ? 243 SER C CA 1 ATOM 1494 C C . SER A 1 100 ? 2.95450 -31.44768 18.49964 1.000 29.67543 ? 243 SER C C 1 ATOM 1495 O O . SER A 1 100 ? 2.79987 -30.76662 17.48126 1.000 31.43240 ? 243 SER C O 1 ATOM 1496 C CB . SER A 1 100 ? 3.50127 -30.35535 20.68251 1.000 43.26660 ? 243 SER C CB 1 ATOM 1497 O OG . SER A 1 100 ? 2.96740 -29.78391 21.85957 1.000 51.93392 ? 243 SER C OG 1 ATOM 1498 H H . SER A 1 100 ? 2.18297 -32.33475 21.25801 1.000 35.88130 ? 243 SER C H 1 ATOM 1499 H HA . SER A 1 100 ? 1.72909 -30.29394 19.66548 1.000 41.83994 ? 243 SER C HA 1 ATOM 1500 H HB2 . SER A 1 100 ? 4.13823 -31.04485 20.92700 1.000 51.91669 ? 243 SER C HB2 1 ATOM 1501 H HB3 . SER A 1 100 ? 3.94369 -29.66248 20.16764 1.000 51.91669 ? 243 SER C HB3 1 ATOM 1502 H HG . SER A 1 100 ? 3.58816 -29.49152 22.34410 1.000 62.31748 ? 243 SER C HG 1 ATOM 1503 N N . ASN A 1 101 ? 3.60528 -32.60832 18.49097 1.000 27.56304 ? 244 ASN C N 1 ATOM 1504 C CA . ASN A 1 101 ? 4.22565 -33.14724 17.29156 1.000 27.40985 ? 244 ASN C CA 1 ATOM 1505 C C . ASN A 1 101 ? 3.37043 -34.20174 16.61374 1.000 25.39262 ? 244 ASN C C 1 ATOM 1506 O O . ASN A 1 101 ? 3.74162 -34.68552 15.53499 1.000 25.83422 ? 244 ASN C O 1 ATOM 1507 C CB . ASN A 1 101 ? 5.58233 -33.74978 17.63675 1.000 27.51132 ? 244 ASN C CB 1 ATOM 1508 C CG . ASN A 1 101 ? 6.57370 -32.71040 18.07095 1.000 29.68506 ? 244 ASN C CG 1 ATOM 1509 O OD1 . ASN A 1 101 ? 6.44001 -31.53850 17.71602 1.000 31.27233 ? 244 ASN C OD1 1 ATOM 1510 N ND2 . ASN A 1 101 ? 7.57623 -33.12396 18.84661 1.000 30.72355 ? 244 ASN C ND2 1 ATOM 1511 H H . ASN A 1 101 ? 3.70112 -33.10960 19.18316 1.000 33.07242 ? 244 ASN C H 1 ATOM 1512 H HA . ASN A 1 101 ? 4.36551 -32.42257 16.66214 1.000 32.88859 ? 244 ASN C HA 1 ATOM 1513 H HB2 . ASN A 1 101 ? 5.47294 -34.38421 18.36230 1.000 33.01035 ? 244 ASN C HB2 1 ATOM 1514 H HB3 . ASN A 1 101 ? 5.93896 -34.19878 16.85437 1.000 33.01035 ? 244 ASN C HB3 1 ATOM 1515 H HD21 . ASN A 1 101 ? 8.16824 -32.56308 19.11963 1.000 36.86503 ? 244 ASN C HD21 1 ATOM 1516 H HD22 . ASN A 1 101 ? 7.63086 -33.95158 19.07388 1.000 36.86503 ? 244 ASN C HD22 1 ATOM 1517 N N . HIS A 1 102 ? 2.25317 -34.58188 17.22703 1.000 24.39245 ? 245 HIS C N 1 ATOM 1518 C CA . HIS A 1 102 ? 1.37046 -35.61133 16.69064 1.000 26.25528 ? 245 HIS C CA 1 ATOM 1519 C C . HIS A 1 102 ? 2.11918 -36.93214 16.49804 1.000 20.70889 ? 245 HIS C C 1 ATOM 1520 O O . HIS A 1 102 ? 2.07657 -37.55332 15.42789 1.000 22.06384 ? 245 HIS C O 1 ATOM 1521 C CB . HIS A 1 102 ? 0.74538 -35.14187 15.37659 1.000 33.41732 ? 245 HIS C CB 1 ATOM 1522 C CG . HIS A 1 102 ? 0.23152 -33.73884 15.42973 1.000 40.92874 ? 245 HIS C CG 1 ATOM 1523 N ND1 . HIS A 1 102 ? -1.05531 -33.43409 15.81379 1.000 45.88703 ? 245 HIS C ND1 1 ATOM 1524 C CD2 . HIS A 1 102 ? 0.83556 -32.55707 15.16466 1.000 47.12911 ? 245 HIS C CD2 1 ATOM 1525 C CE1 . HIS A 1 102 ? -1.22509 -32.12499 15.77701 1.000 50.24908 ? 245 HIS C CE1 1 ATOM 1526 N NE2 . HIS A 1 102 ? -0.09176 -31.56892 15.38858 1.000 54.38740 ? 245 HIS C NE2 1 ATOM 1527 H H . HIS A 1 102 ? 1.97934 -34.25045 17.97186 1.000 29.26771 ? 245 HIS C H 1 ATOM 1528 H HA . HIS A 1 102 ? 0.65819 -35.77493 17.32846 1.000 31.50310 ? 245 HIS C HA 1 ATOM 1529 H HB2 . HIS A 1 102 ? 1.41613 -35.18656 14.67731 1.000 40.09755 ? 245 HIS C HB2 1 ATOM 1530 H HB3 . HIS A 1 102 ? 0.00012 -35.72342 15.15910 1.000 40.09755 ? 245 HIS C HB3 1 ATOM 1531 H HD2 . HIS A 1 102 ? 1.71385 -32.43666 14.88358 1.000 56.55170 ? 245 HIS C HD2 1 ATOM 1532 H HE1 . HIS A 1 102 ? -2.00914 -31.67178 15.98859 1.000 60.29567 ? 245 HIS C HE1 1 ATOM 1533 H HE2 . HIS A 1 102 ? 0.04356 -30.72518 15.29162 1.000 65.26165 ? 245 HIS C HE2 1 ATOM 1534 N N . GLU A 1 103 ? 2.80649 -37.38036 17.55458 1.000 18.97502 ? 246 GLU C N 1 ATOM 1535 C CA . GLU A 1 103 ? 3.55074 -38.62341 17.49107 1.000 17.81103 ? 246 GLU C CA 1 ATOM 1536 C C . GLU A 1 103 ? 3.33209 -39.47584 18.72645 1.000 17.81804 ? 246 GLU C C 1 ATOM 1537 O O . GLU A 1 103 ? 3.24616 -38.97065 19.84524 1.000 17.95341 ? 246 GLU C O 1 ATOM 1538 C CB . GLU A 1 103 ? 5.06096 -38.40278 17.35385 1.000 20.37996 ? 246 GLU C CB 1 ATOM 1539 C CG . GLU A 1 103 ? 5.41489 -37.63672 16.11221 1.000 22.22336 ? 246 GLU C CG 1 ATOM 1540 C CD . GLU A 1 103 ? 6.89650 -37.59078 15.84572 1.000 22.99444 ? 246 GLU C CD 1 ATOM 1541 O OE1 . GLU A 1 103 ? 7.65570 -38.41409 16.40482 1.000 23.88070 ? 246 GLU C OE1 1 ATOM 1542 O OE2 . GLU A 1 103 ? 7.29550 -36.71374 15.04594 1.000 23.83043 -1 246 GLU C OE2 1 ATOM 1543 H H . GLU A 1 103 ? 2.85111 -36.97683 18.31271 1.000 22.76679 ? 246 GLU C H 1 ATOM 1544 H HA . GLU A 1 103 ? 3.21533 -39.10146 16.71656 1.000 21.37000 ? 246 GLU C HA 1 ATOM 1545 H HB2 . GLU A 1 103 ? 5.37912 -37.90018 18.12005 1.000 24.45272 ? 246 GLU C HB2 1 ATOM 1546 H HB3 . GLU A 1 103 ? 5.50519 -39.26418 17.31443 1.000 24.45272 ? 246 GLU C HB3 1 ATOM 1547 H HG2 . GLU A 1 103 ? 4.98789 -38.05842 15.35015 1.000 26.66480 ? 246 GLU C HG2 1 ATOM 1548 H HG3 . GLU A 1 103 ? 5.10038 -36.72388 16.20560 1.000 26.66480 ? 246 GLU C HG3 1 ATOM 1549 N N . VAL A 1 104 ? 3.29139 -40.78658 18.49511 1.000 17.22661 ? 247 VAL C N 1 ATOM 1550 C CA . VAL A 1 104 ? 3.38145 -41.76160 19.57293 1.000 16.28835 ? 247 VAL C CA 1 ATOM 1551 C C . VAL A 1 104 ? 4.75694 -41.66777 20.20388 1.000 17.27486 ? 247 VAL C C 1 ATOM 1552 O O . VAL A 1 104 ? 5.76478 -41.56952 19.49340 1.000 18.30572 ? 247 VAL C O 1 ATOM 1553 C CB . VAL A 1 104 ? 3.17028 -43.16939 19.00072 1.000 16.84891 ? 247 VAL C CB 1 ATOM 1554 C CG1 . VAL A 1 104 ? 3.46877 -44.20960 20.04760 1.000 17.91718 ? 247 VAL C CG1 1 ATOM 1555 C CG2 . VAL A 1 104 ? 1.73995 -43.32824 18.43086 1.000 16.86100 ? 247 VAL C CG2 1 ATOM 1556 H H . VAL A 1 104 ? 3.21129 -41.13870 17.71460 1.000 20.66870 ? 247 VAL C H 1 ATOM 1557 H HA . VAL A 1 104 ? 2.70380 -41.57576 20.24162 1.000 19.54279 ? 247 VAL C HA 1 ATOM 1558 H HB . VAL A 1 104 ? 3.78613 -43.30611 18.26388 1.000 20.21546 ? 247 VAL C HB 1 ATOM 1559 H HG11 . VAL A 1 104 ? 3.24195 -45.08499 19.69667 1.000 21.49739 ? 247 VAL C HG11 1 ATOM 1560 H HG12 . VAL A 1 104 ? 4.41315 -44.17549 20.26644 1.000 21.49739 ? 247 VAL C HG12 1 ATOM 1561 H HG13 . VAL A 1 104 ? 2.93902 -44.02284 20.83842 1.000 21.49739 ? 247 VAL C HG13 1 ATOM 1562 H HG21 . VAL A 1 104 ? 1.69729 -44.14385 17.90753 1.000 20.22997 ? 247 VAL C HG21 1 ATOM 1563 H HG22 . VAL A 1 104 ? 1.11001 -43.37426 19.16704 1.000 20.22997 ? 247 VAL C HG22 1 ATOM 1564 H HG23 . VAL A 1 104 ? 1.53709 -42.56386 17.86920 1.000 20.22997 ? 247 VAL C HG23 1 ATOM 1565 N N . VAL A 1 105 ? 4.80596 -41.74922 21.54014 1.000 17.27234 ? 248 VAL C N 1 ATOM 1566 C CA . VAL A 1 105 ? 6.05441 -41.80232 22.29118 1.000 17.75786 ? 248 VAL C CA 1 ATOM 1567 C C . VAL A 1 105 ? 6.09426 -43.11474 23.05702 1.000 15.83960 ? 248 VAL C C 1 ATOM 1568 O O . VAL A 1 105 ? 5.13680 -43.45008 23.76866 1.000 18.30492 ? 248 VAL C O 1 ATOM 1569 C CB . VAL A 1 105 ? 6.17014 -40.61716 23.26316 1.000 19.90848 ? 248 VAL C CB 1 ATOM 1570 C CG1 . VAL A 1 105 ? 7.46764 -40.72532 24.06320 1.000 20.49592 ? 248 VAL C CG1 1 ATOM 1571 C CG2 . VAL A 1 105 ? 6.08421 -39.30121 22.52595 1.000 21.87917 ? 248 VAL C CG2 1 ATOM 1572 H H . VAL A 1 105 ? 4.10721 -41.77543 22.04080 1.000 20.72358 ? 248 VAL C H 1 ATOM 1573 H HA . VAL A 1 105 ? 6.80265 -41.77945 21.67432 1.000 21.30620 ? 248 VAL C HA 1 ATOM 1574 H HB . VAL A 1 105 ? 5.42730 -40.64200 23.88643 1.000 23.88694 ? 248 VAL C HB 1 ATOM 1575 H HG11 . VAL A 1 105 ? 7.53910 -39.95936 24.65406 1.000 24.59188 ? 248 VAL C HG11 1 ATOM 1576 H HG12 . VAL A 1 105 ? 7.45061 -41.54388 24.58337 1.000 24.59188 ? 248 VAL C HG12 1 ATOM 1577 H HG13 . VAL A 1 105 ? 8.21760 -40.73976 23.44818 1.000 24.59188 ? 248 VAL C HG13 1 ATOM 1578 H HG21 . VAL A 1 105 ? 6.14783 -38.57562 23.16656 1.000 26.25177 ? 248 VAL C HG21 1 ATOM 1579 H HG22 . VAL A 1 105 ? 6.81529 -39.24674 21.89078 1.000 26.25177 ? 248 VAL C HG22 1 ATOM 1580 H HG23 . VAL A 1 105 ? 5.23561 -39.25607 22.05825 1.000 26.25177 ? 248 VAL C HG23 1 ATOM 1581 N N . PHE A 1 106 ? 7.20245 -43.85148 22.92182 1.000 16.27793 ? 249 PHE C N 1 ATOM 1582 C CA . PHE A 1 106 ? 7.42641 -45.06174 23.69427 1.000 17.16668 ? 249 PHE C CA 1 ATOM 1583 C C . PHE A 1 106 ? 8.48286 -44.76784 24.74557 1.000 18.34299 ? 249 PHE C C 1 ATOM 1584 O O . PHE A 1 106 ? 9.44914 -44.03964 24.48408 1.000 18.24841 ? 249 PHE C O 1 ATOM 1585 C CB . PHE A 1 106 ? 7.94311 -46.21654 22.83420 1.000 17.45375 ? 249 PHE C CB 1 ATOM 1586 C CG . PHE A 1 106 ? 6.88658 -46.88110 22.00593 1.000 17.53478 ? 249 PHE C CG 1 ATOM 1587 C CD1 . PHE A 1 106 ? 6.01484 -47.79904 22.54658 1.000 17.05709 ? 249 PHE C CD1 1 ATOM 1588 C CD2 . PHE A 1 106 ? 6.80970 -46.59750 20.65343 1.000 18.39386 ? 249 PHE C CD2 1 ATOM 1589 C CE1 . PHE A 1 106 ? 5.06105 -48.40322 21.76290 1.000 18.72525 ? 249 PHE C CE1 1 ATOM 1590 C CE2 . PHE A 1 106 ? 5.86480 -47.19929 19.86731 1.000 19.11798 ? 249 PHE C CE2 1 ATOM 1591 C CZ . PHE A 1 106 ? 4.97933 -48.10394 20.40845 1.000 18.84113 ? 249 PHE C CZ 1 ATOM 1592 H H . PHE A 1 106 ? 7.84268 -43.66162 22.37992 1.000 19.53029 ? 249 PHE C H 1 ATOM 1593 H HA . PHE A 1 106 ? 6.58780 -45.33313 24.09921 1.000 20.59679 ? 249 PHE C HA 1 ATOM 1594 H HB2 . PHE A 1 106 ? 8.62023 -45.87486 22.22949 1.000 20.94127 ? 249 PHE C HB2 1 ATOM 1595 H HB3 . PHE A 1 106 ? 8.32792 -46.88991 23.41678 1.000 20.94127 ? 249 PHE C HB3 1 ATOM 1596 H HD1 . PHE A 1 106 ? 6.07178 -48.01224 23.45002 1.000 20.46527 ? 249 PHE C HD1 1 ATOM 1597 H HD2 . PHE A 1 106 ? 7.40588 -45.99217 20.27520 1.000 22.06940 ? 249 PHE C HD2 1 ATOM 1598 H HE1 . PHE A 1 106 ? 4.46918 -49.01353 22.13987 1.000 22.46707 ? 249 PHE C HE1 1 ATOM 1599 H HE2 . PHE A 1 106 ? 5.82053 -46.99564 18.96096 1.000 22.93835 ? 249 PHE C HE2 1 ATOM 1600 H HZ . PHE A 1 106 ? 4.33489 -48.50947 19.87446 1.000 22.60613 ? 249 PHE C HZ 1 ATOM 1601 N N . GLY A 1 107 ? 8.30697 -45.34217 25.93279 1.000 17.92761 ? 250 GLY C N 1 ATOM 1602 C CA . GLY A 1 107 ? 9.40757 -45.41556 26.86997 1.000 18.49856 ? 250 GLY C CA 1 ATOM 1603 C C . GLY A 1 107 ? 10.50625 -46.31425 26.33775 1.000 18.36170 ? 250 GLY C C 1 ATOM 1604 O O . GLY A 1 107 ? 10.33214 -47.05342 25.37766 1.000 18.70204 ? 250 GLY C O 1 ATOM 1605 H H . GLY A 1 107 ? 7.57040 -45.68928 26.20952 1.000 21.50990 ? 250 GLY C H 1 ATOM 1606 H HA2 . GLY A 1 107 ? 9.77244 -44.52887 27.01673 1.000 22.19505 ? 250 GLY C HA2 1 ATOM 1607 H HA3 . GLY A 1 107 ? 9.09419 -45.77210 27.71588 1.000 22.19505 ? 250 GLY C HA3 1 ATOM 1608 N N . GLY A 1 108 ? 11.66873 -46.25413 26.97075 1.000 21.10993 ? 251 GLY C N 1 ATOM 1609 C CA . GLY A 1 108 ? 12.79898 -47.00928 26.49728 1.000 21.55216 ? 251 GLY C CA 1 ATOM 1610 C C . GLY A 1 108 ? 12.78998 -48.49382 26.78772 1.000 21.96350 ? 251 GLY C C 1 ATOM 1611 O O . GLY A 1 108 ? 13.65030 -49.22650 26.27498 1.000 23.67143 ? 251 GLY C O 1 ATOM 1612 H H . GLY A 1 108 ? 11.81993 -45.78251 27.67382 1.000 25.32869 ? 251 GLY C H 1 ATOM 1613 H HA2 . GLY A 1 108 ? 12.85285 -46.90388 25.53453 1.000 25.85936 ? 251 GLY C HA2 1 ATOM 1614 H HA3 . GLY A 1 108 ? 13.60066 -46.64114 26.90062 1.000 25.85936 ? 251 GLY C HA3 1 ATOM 1615 N N . GLY A 1 109 ? 11.82776 -48.96088 27.58528 1.000 19.66586 ? 252 GLY C N 1 ATOM 1616 C CA . GLY A 1 109 ? 11.73112 -50.36130 27.92472 1.000 20.29753 ? 252 GLY C CA 1 ATOM 1617 C C . GLY A 1 109 ? 12.41728 -50.73045 29.22326 1.000 20.99817 ? 252 GLY C C 1 ATOM 1618 O O . GLY A 1 109 ? 13.45876 -50.16476 29.56780 1.000 21.98182 ? 252 GLY C O 1 ATOM 1619 H H . GLY A 1 109 ? 11.21575 -48.47341 27.94223 1.000 23.59581 ? 252 GLY C H 1 ATOM 1620 H HA2 . GLY A 1 109 ? 10.79468 -50.60191 28.00278 1.000 24.35381 ? 252 GLY C HA2 1 ATOM 1621 H HA3 . GLY A 1 109 ? 12.13370 -50.88535 27.21465 1.000 24.35381 ? 252 GLY C HA3 1 ATOM 1622 N N . THR A 1 110 ? 11.82559 -51.68475 29.94437 1.000 20.74023 ? 253 THR C N 1 ATOM 1623 C CA . THR A 1 110 ? 12.37378 -52.22885 31.18039 1.000 19.35485 ? 253 THR C CA 1 ATOM 1624 C C . THR A 1 110 ? 12.42140 -53.73546 31.04114 1.000 18.62465 ? 253 THR C C 1 ATOM 1625 O O . THR A 1 110 ? 11.39446 -54.35637 30.76750 1.000 19.62848 ? 253 THR C O 1 ATOM 1626 C CB . THR A 1 110 ? 11.46562 -51.91604 32.37467 1.000 19.95504 ? 253 THR C CB 1 ATOM 1627 O OG1 . THR A 1 110 ? 11.34565 -50.50786 32.54203 1.000 20.63395 ? 253 THR C OG1 1 ATOM 1628 C CG2 . THR A 1 110 ? 11.98837 -52.56588 33.67656 1.000 22.22249 ? 253 THR C CG2 1 ATOM 1629 H H . THR A 1 110 ? 11.07578 -52.04502 29.72625 1.000 24.88505 ? 253 THR C H 1 ATOM 1630 H HA . THR A 1 110 ? 13.25785 -51.85888 31.33022 1.000 23.22259 ? 253 THR C HA 1 ATOM 1631 H HB . THR A 1 110 ? 10.58691 -52.28887 32.20216 1.000 23.94282 ? 253 THR C HB 1 ATOM 1632 H HG1 . THR A 1 110 ? 12.08317 -50.18280 32.77867 1.000 24.75751 ? 253 THR C HG1 1 ATOM 1633 H HG21 . THR A 1 110 ? 11.48411 -52.23707 34.43716 1.000 26.66375 ? 253 THR C HG21 1 ATOM 1634 H HG22 . THR A 1 110 ? 11.89212 -53.52987 33.62803 1.000 26.66375 ? 253 THR C HG22 1 ATOM 1635 H HG23 . THR A 1 110 ? 12.92538 -52.34902 33.80256 1.000 26.66375 ? 253 THR C HG23 1 ATOM 1636 N N . LYS A 1 111 ? 13.58939 -54.32134 31.23938 1.000 20.67630 ? 254 LYS C N 1 ATOM 1637 C CA . LYS A 1 111 ? 13.72448 -55.76844 31.27206 1.000 22.30877 ? 254 LYS C CA 1 ATOM 1638 C C . LYS A 1 111 ? 13.46728 -56.21644 32.69533 1.000 21.14574 ? 254 LYS C C 1 ATOM 1639 O O . LYS A 1 111 ? 14.19105 -55.80133 33.60929 1.000 21.87230 ? 254 LYS C O 1 ATOM 1640 C CB . LYS A 1 111 ? 15.11867 -56.21751 30.83283 1.000 33.06599 ? 254 LYS C CB 1 ATOM 1641 C CG . LYS A 1 111 ? 15.26465 -57.73955 30.83880 1.000 47.18141 ? 254 LYS C CG 1 ATOM 1642 C CD . LYS A 1 111 ? 16.38982 -58.21982 29.94087 1.000 58.84814 ? 254 LYS C CD 1 ATOM 1643 C CE . LYS A 1 111 ? 16.16962 -59.67051 29.51281 1.000 65.17282 ? 254 LYS C CE 1 ATOM 1644 N NZ . LYS A 1 111 ? 16.28606 -60.65270 30.63181 1.000 67.25984 ? 254 LYS C NZ 1 ATOM 1645 H H . LYS A 1 111 ? 14.32839 -53.89809 31.35918 1.000 24.80833 ? 254 LYS C H 1 ATOM 1646 H HA . LYS A 1 111 ? 13.08272 -56.16914 30.66503 1.000 26.76729 ? 254 LYS C HA 1 ATOM 1647 H HB2 . LYS A 1 111 ? 15.28497 -55.90107 29.93110 1.000 39.67596 ? 254 LYS C HB2 1 ATOM 1648 H HB3 . LYS A 1 111 ? 15.77779 -55.84788 31.44098 1.000 39.67596 ? 254 LYS C HB3 1 ATOM 1649 H HG2 . LYS A 1 111 ? 15.45396 -58.03659 31.74259 1.000 56.61447 ? 254 LYS C HG2 1 ATOM 1650 H HG3 . LYS A 1 111 ? 14.43834 -58.13878 30.52461 1.000 56.61447 ? 254 LYS C HG3 1 ATOM 1651 H HD2 . LYS A 1 111 ? 16.42586 -57.66715 29.14453 1.000 70.61454 ? 254 LYS C HD2 1 ATOM 1652 H HD3 . LYS A 1 111 ? 17.23123 -58.16589 30.42048 1.000 70.61454 ? 254 LYS C HD3 1 ATOM 1653 H HE2 . LYS A 1 111 ? 15.27881 -59.75387 29.13810 1.000 78.20415 ? 254 LYS C HE2 1 ATOM 1654 H HE3 . LYS A 1 111 ? 16.83354 -59.90340 28.84507 1.000 78.20415 ? 254 LYS C HE3 1 ATOM 1655 H HZ1 . LYS A 1 111 ? 16.14976 -61.47801 30.32785 1.000 80.70858 ? 254 LYS C HZ1 1 ATOM 1656 H HZ2 . LYS A 1 111 ? 17.09846 -60.60825 30.99255 1.000 80.70858 ? 254 LYS C HZ2 1 ATOM 1657 H HZ3 . LYS A 1 111 ? 15.68115 -60.47241 31.25926 1.000 80.70858 ? 254 LYS C HZ3 1 ATOM 1658 N N . LEU A 1 112 ? 12.43662 -57.03135 32.88160 1.000 19.50935 ? 255 LEU C N 1 ATOM 1659 C CA . LEU A 1 112 ? 12.11387 -57.60397 34.18454 1.000 20.90267 ? 255 LEU C CA 1 ATOM 1660 C C . LEU A 1 112 ? 12.72899 -58.99237 34.27208 1.000 21.31646 ? 255 LEU C C 1 ATOM 1661 O O . LEU A 1 112 ? 12.47383 -59.84234 33.41787 1.000 23.04647 ? 255 LEU C O 1 ATOM 1662 C CB . LEU A 1 112 ? 10.59574 -57.67534 34.36203 1.000 22.20144 ? 255 LEU C CB 1 ATOM 1663 C CG . LEU A 1 112 ? 10.07642 -58.25816 35.68252 1.000 24.90690 ? 255 LEU C CG 1 ATOM 1664 C CD1 . LEU A 1 112 ? 10.68096 -57.55232 36.87931 1.000 30.91835 ? 255 LEU C CD1 1 ATOM 1665 C CD2 . LEU A 1 112 ? 8.54605 -58.16115 35.74929 1.000 26.45034 ? 255 LEU C CD2 1 ATOM 1666 H H . LEU A 1 112 ? 11.89788 -57.27302 32.25633 1.000 23.40799 ? 255 LEU C H 1 ATOM 1667 H HA . LEU A 1 112 ? 12.48697 -57.05795 34.89416 1.000 25.07997 ? 255 LEU C HA 1 ATOM 1668 H HB2 . LEU A 1 112 ? 10.24433 -56.77387 34.29294 1.000 26.63850 ? 255 LEU C HB2 1 ATOM 1669 H HB3 . LEU A 1 112 ? 10.23734 -58.22668 33.64896 1.000 26.63850 ? 255 LEU C HB3 1 ATOM 1670 H HG . LEU A 1 112 ? 10.33823 -59.19142 35.71959 1.000 29.88506 ? 255 LEU C HG 1 ATOM 1671 H HD11 . LEU A 1 112 ? 10.29825 -57.92186 37.69041 1.000 37.09878 ? 255 LEU C HD11 1 ATOM 1672 H HD12 . LEU A 1 112 ? 11.64128 -57.68893 36.87462 1.000 37.09878 ? 255 LEU C HD12 1 ATOM 1673 H HD13 . LEU A 1 112 ? 10.48134 -56.60487 36.82120 1.000 37.09878 ? 255 LEU C HD13 1 ATOM 1674 H HD21 . LEU A 1 112 ? 8.25379 -58.39174 36.64501 1.000 31.73718 ? 255 LEU C HD21 1 ATOM 1675 H HD22 . LEU A 1 112 ? 8.27759 -57.25351 35.53714 1.000 31.73718 ? 255 LEU C HD22 1 ATOM 1676 H HD23 . LEU A 1 112 ? 8.16217 -58.77834 35.10694 1.000 31.73718 ? 255 LEU C HD23 1 ATOM 1677 N N . THR A 1 113 ? 13.55956 -59.20217 35.28795 1.000 20.97872 ? 256 THR C N 1 ATOM 1678 C CA . THR A 1 113 ? 14.21077 -60.46810 35.55473 1.000 23.18239 ? 256 THR C CA 1 ATOM 1679 C C . THR A 1 113 ? 13.69453 -61.00728 36.87835 1.000 23.15922 ? 256 THR C C 1 ATOM 1680 O O . THR A 1 113 ? 13.56199 -60.26286 37.85562 1.000 22.37665 ? 256 THR C O 1 ATOM 1681 C CB . THR A 1 113 ? 15.72972 -60.27345 35.63522 1.000 26.83021 ? 256 THR C CB 1 ATOM 1682 O OG1 . THR A 1 113 ? 16.21037 -59.90957 34.33829 1.000 29.70589 ? 256 THR C OG1 1 ATOM 1683 C CG2 . THR A 1 113 ? 16.41495 -61.54543 36.10886 1.000 32.52646 ? 256 THR C CG2 1 ATOM 1684 H H . THR A 1 113 ? 13.76766 -58.59463 35.85995 1.000 25.17124 ? 256 THR C H 1 ATOM 1685 H HA . THR A 1 113 ? 14.01078 -61.10628 34.85214 1.000 27.81563 ? 256 THR C HA 1 ATOM 1686 H HB . THR A 1 113 ? 15.94504 -59.57541 36.27341 1.000 32.19302 ? 256 THR C HB 1 ATOM 1687 H HG1 . THR A 1 113 ? 17.03879 -59.77355 34.36665 1.000 35.64383 ? 256 THR C HG1 1 ATOM 1688 H HG21 . THR A 1 113 ? 17.37804 -61.44332 36.05474 1.000 39.02852 ? 256 THR C HG21 1 ATOM 1689 H HG22 . THR A 1 113 ? 16.16934 -61.73185 37.02855 1.000 39.02852 ? 256 THR C HG22 1 ATOM 1690 H HG23 . THR A 1 113 ? 16.14601 -62.29374 35.55334 1.000 39.02852 ? 256 THR C HG23 1 ATOM 1691 N N . VAL A 1 114 ? 13.37748 -62.28883 36.89558 1.000 23.07558 ? 257 VAL C N 1 ATOM 1692 C CA . VAL A 1 114 ? 12.93197 -62.96370 38.10364 1.000 23.98494 ? 257 VAL C CA 1 ATOM 1693 C C . VAL A 1 114 ? 14.13045 -63.66633 38.72264 1.000 23.60711 ? 257 VAL C C 1 ATOM 1694 O O . VAL A 1 114 ? 14.76548 -64.51957 38.08719 1.000 26.32394 ? 257 VAL C O 1 ATOM 1695 C CB . VAL A 1 114 ? 11.76582 -63.91676 37.81000 1.000 25.94338 ? 257 VAL C CB 1 ATOM 1696 C CG1 . VAL A 1 114 ? 11.35201 -64.63249 39.08983 1.000 27.72057 ? 257 VAL C CG1 1 ATOM 1697 C CG2 . VAL A 1 114 ? 10.58587 -63.13071 37.21443 1.000 26.52573 ? 257 VAL C CG2 1 ATOM 1698 H H . VAL A 1 114 ? 13.41258 -62.80119 36.20575 1.000 27.68747 ? 257 VAL C H 1 ATOM 1699 H HA . VAL A 1 114 ? 12.61678 -62.31456 38.75185 1.000 28.77870 ? 257 VAL C HA 1 ATOM 1700 H HB . VAL A 1 114 ? 12.04025 -64.58526 37.16293 1.000 31.12882 ? 257 VAL C HB 1 ATOM 1701 H HG11 . VAL A 1 114 ? 10.48932 -65.05375 38.95127 1.000 33.26146 ? 257 VAL C HG11 1 ATOM 1702 H HG12 . VAL A 1 114 ? 12.01752 -65.30453 39.30513 1.000 33.26146 ? 257 VAL C HG12 1 ATOM 1703 H HG13 . VAL A 1 114 ? 11.29189 -63.98422 39.80888 1.000 33.26146 ? 257 VAL C HG13 1 ATOM 1704 H HG21 . VAL A 1 114 ? 9.85812 -63.74497 37.03013 1.000 31.82764 ? 257 VAL C HG21 1 ATOM 1705 H HG22 . VAL A 1 114 ? 10.29867 -62.45984 37.85344 1.000 31.82764 ? 257 VAL C HG22 1 ATOM 1706 H HG23 . VAL A 1 114 ? 10.87388 -62.70308 36.39280 1.000 31.82764 ? 257 VAL C HG23 1 ATOM 1707 N N . LEU A 1 115 ? 14.47405 -63.25551 39.94021 1.000 22.40254 ? 258 LEU C N 1 ATOM 1708 C CA . LEU A 1 115 ? 15.59165 -63.84090 40.65473 1.000 22.19078 ? 258 LEU C CA 1 ATOM 1709 C C . LEU A 1 115 ? 15.28248 -65.28241 41.01876 1.000 23.22064 ? 258 LEU C C 1 ATOM 1710 O O . LEU A 1 115 ? 14.14385 -65.62425 41.33775 1.000 26.46260 ? 258 LEU C O 1 ATOM 1711 C CB . LEU A 1 115 ? 15.83860 -63.05078 41.93134 1.000 22.07426 ? 258 LEU C CB 1 ATOM 1712 C CG . LEU A 1 115 ? 16.18553 -61.57832 41.74721 1.000 23.81953 ? 258 LEU C CG 1 ATOM 1713 C CD1 . LEU A 1 115 ? 16.16169 -60.91969 43.13897 1.000 24.98076 ? 258 LEU C CD1 1 ATOM 1714 C CD2 . LEU A 1 115 ? 17.52700 -61.39722 41.07331 1.000 26.56109 ? 258 LEU C CD2 1 ATOM 1715 H H . LEU A 1 115 ? 14.06977 -62.63332 40.37499 1.000 26.87982 ? 258 LEU C H 1 ATOM 1716 H HA . LEU A 1 115 ? 16.38716 -63.81977 40.10010 1.000 26.62570 ? 258 LEU C HA 1 ATOM 1717 H HB2 . LEU A 1 115 ? 15.03467 -63.09121 42.47260 1.000 26.48588 ? 258 LEU C HB2 1 ATOM 1718 H HB3 . LEU A 1 115 ? 16.57812 -63.46339 42.40437 1.000 26.48588 ? 258 LEU C HB3 1 ATOM 1719 H HG . LEU A 1 115 ? 15.54079 -61.14772 41.16429 1.000 28.58021 ? 258 LEU C HG 1 ATOM 1720 H HD11 . LEU A 1 115 ? 16.38424 -59.98000 43.04751 1.000 29.97368 ? 258 LEU C HD11 1 ATOM 1721 H HD12 . LEU A 1 115 ? 15.27371 -61.01396 43.51780 1.000 29.97368 ? 258 LEU C HD12 1 ATOM 1722 H HD13 . LEU A 1 115 ? 16.81245 -61.35989 43.70786 1.000 29.97368 ? 258 LEU C HD13 1 ATOM 1723 H HD21 . LEU A 1 115 ? 18.20229 -61.87401 41.58081 1.000 31.87008 ? 258 LEU C HD21 1 ATOM 1724 H HD22 . LEU A 1 115 ? 17.47822 -61.75263 40.17209 1.000 31.87008 ? 258 LEU C HD22 1 ATOM 1725 H HD23 . LEU A 1 115 ? 17.74098 -60.45154 41.04481 1.000 31.87008 ? 258 LEU C HD23 1 ATOM 1726 N N . GLU A 1 116 ? 16.30944 -66.12637 40.97927 1.000 22.96695 ? 259 GLU C N 1 ATOM 1727 C CA . GLU A 1 116 ? 16.14767 -67.55575 41.20223 1.000 24.79581 ? 259 GLU C CA 1 ATOM 1728 C C . GLU A 1 116 ? 16.45062 -67.94424 42.64097 1.000 23.85576 ? 259 GLU C C 1 ATOM 1729 O O . GLU A 1 116 ? 15.73740 -68.76584 43.21338 1.000 24.87139 ? 259 GLU C O 1 ATOM 1730 C CB . GLU A 1 116 ? 17.08113 -68.35099 40.26875 1.000 27.74658 ? 259 GLU C CB 1 ATOM 1731 C CG . GLU A 1 116 ? 16.88883 -68.10508 38.76082 1.000 28.24933 ? 259 GLU C CG 1 ATOM 1732 C CD . GLU A 1 116 ? 15.73162 -68.88319 38.17308 1.000 31.78033 ? 259 GLU C CD 1 ATOM 1733 O OE1 . GLU A 1 116 ? 15.14681 -69.73625 38.88019 1.000 30.81131 ? 259 GLU C OE1 1 ATOM 1734 O OE2 . GLU A 1 116 ? 15.40199 -68.64598 36.98002 1.000 32.05236 -1 259 GLU C OE2 1 ATOM 1735 H H . GLU A 1 116 ? 17.12159 -65.89075 40.82277 1.000 27.55710 ? 259 GLU C H 1 ATOM 1736 H HA . GLU A 1 116 ? 15.23055 -67.79596 40.99703 1.000 29.75174 ? 259 GLU C HA 1 ATOM 1737 H HB2 . GLU A 1 116 ? 17.99750 -68.11649 40.48365 1.000 33.29267 ? 259 GLU C HB2 1 ATOM 1738 H HB3 . GLU A 1 116 ? 16.93496 -69.29682 40.42666 1.000 33.29267 ? 259 GLU C HB3 1 ATOM 1739 H HG2 . GLU A 1 116 ? 16.71799 -67.16138 38.61539 1.000 33.89597 ? 259 GLU C HG2 1 ATOM 1740 H HG3 . GLU A 1 116 ? 17.69568 -68.37208 38.29327 1.000 33.89597 ? 259 GLU C HG3 1 ATOM 1741 N N . ASN A 1 117 ? 17.51478 -67.39937 43.22433 1.000 22.35507 ? 260 ASN C N 1 ATOM 1742 C CA . ASN A 1 117 ? 17.83010 -67.61770 44.62988 1.000 22.18812 ? 260 ASN C CA 1 ATOM 1743 C C . ASN A 1 117 ? 17.08972 -66.59892 45.48201 1.000 25.30857 ? 260 ASN C C 1 ATOM 1744 O O . ASN A 1 117 ? 16.50047 -65.64206 44.97624 1.000 26.13053 ? 260 ASN C O 1 ATOM 1745 C CB . ASN A 1 117 ? 19.33500 -67.49120 44.86965 1.000 20.44848 ? 260 ASN C CB 1 ATOM 1746 C CG . ASN A 1 117 ? 20.11626 -68.60335 44.20796 1.000 18.76170 ? 260 ASN C CG 1 ATOM 1747 O OD1 . ASN A 1 117 ? 19.61517 -69.70450 44.07006 1.000 19.16835 ? 260 ASN C OD1 1 ATOM 1748 N ND2 . ASN A 1 117 ? 21.37528 -68.33093 43.84177 1.000 20.39933 ? 260 ASN C ND2 1 ATOM 1749 H H . ASN A 1 117 ? 18.07799 -66.89109 42.81930 1.000 26.82285 ? 260 ASN C H 1 ATOM 1750 H HA . ASN A 1 117 ? 17.55622 -68.51264 44.88479 1.000 26.62251 ? 260 ASN C HA 1 ATOM 1751 H HB2 . ASN A 1 117 ? 19.64495 -66.64690 44.50636 1.000 24.53494 ? 260 ASN C HB2 1 ATOM 1752 H HB3 . ASN A 1 117 ? 19.50902 -67.52591 45.82328 1.000 24.53494 ? 260 ASN C HB3 1 ATOM 1753 H HD21 . ASN A 1 117 ? 21.85335 -68.93673 43.46222 1.000 24.47597 ? 260 ASN C HD21 1 ATOM 1754 H HD22 . ASN A 1 117 ? 21.70574 -67.55020 43.98616 1.000 24.47597 ? 260 ASN C HD22 1 ATOM 1755 N N . LEU A 1 118 ? 17.14706 -66.79557 46.79612 1.000 26.36440 ? 261 LEU C N 1 ATOM 1756 C CA . LEU A 1 118 ? 16.57290 -65.86472 47.75397 1.000 28.93670 ? 261 LEU C CA 1 ATOM 1757 C C . LEU A 1 118 ? 17.68443 -64.99865 48.32263 1.000 30.60985 ? 261 LEU C C 1 ATOM 1758 O O . LEU A 1 118 ? 18.70787 -65.51291 48.76741 1.000 31.02119 ? 261 LEU C O 1 ATOM 1759 C CB . LEU A 1 118 ? 15.88743 -66.63142 48.88553 1.000 30.44042 ? 261 LEU C CB 1 ATOM 1760 C CG . LEU A 1 118 ? 14.85558 -67.64166 48.39642 1.000 31.48983 ? 261 LEU C CG 1 ATOM 1761 C CD1 . LEU A 1 118 ? 14.30706 -68.46675 49.54848 1.000 32.60227 ? 261 LEU C CD1 1 ATOM 1762 C CD2 . LEU A 1 118 ? 13.72513 -66.92395 47.65252 1.000 33.24105 ? 261 LEU C CD2 1 ATOM 1763 H H . LEU A 1 118 ? 17.52248 -67.47720 47.16223 1.000 31.63405 ? 261 LEU C H 1 ATOM 1764 H HA . LEU A 1 118 ? 15.91948 -65.29513 47.31863 1.000 34.72081 ? 261 LEU C HA 1 ATOM 1765 H HB2 . LEU A 1 118 ? 16.56164 -67.11403 49.38895 1.000 36.52528 ? 261 LEU C HB2 1 ATOM 1766 H HB3 . LEU A 1 118 ? 15.43347 -65.99721 49.46225 1.000 36.52528 ? 261 LEU C HB3 1 ATOM 1767 H HG . LEU A 1 118 ? 15.28444 -68.25599 47.78032 1.000 37.78456 ? 261 LEU C HG 1 ATOM 1768 H HD11 . LEU A 1 118 ? 13.60369 -69.04577 49.21544 1.000 39.11950 ? 261 LEU C HD11 1 ATOM 1769 H HD12 . LEU A 1 118 ? 15.02454 -69.00041 49.92442 1.000 39.11950 ? 261 LEU C HD12 1 ATOM 1770 H HD13 . LEU A 1 118 ? 13.95094 -67.86851 50.22390 1.000 39.11950 ? 261 LEU C HD13 1 ATOM 1771 H HD21 . LEU A 1 118 ? 12.97227 -67.52894 47.56260 1.000 39.88603 ? 261 LEU C HD21 1 ATOM 1772 H HD22 . LEU A 1 118 ? 13.46105 -66.14033 48.15958 1.000 39.88603 ? 261 LEU C HD22 1 ATOM 1773 H HD23 . LEU A 1 118 ? 14.04291 -66.65866 46.77529 1.000 39.88603 ? 261 LEU C HD23 1 ATOM 1774 N N . TYR A 1 119 ? 17.48528 -63.69521 48.29618 1.000 34.01089 ? 262 TYR C N 1 ATOM 1775 C CA . TYR A 1 119 ? 18.43144 -62.73919 48.84316 1.000 37.39061 ? 262 TYR C CA 1 ATOM 1776 C C . TYR A 1 119 ? 17.71370 -61.91837 49.90774 1.000 48.29319 ? 262 TYR C C 1 ATOM 1777 O O . TYR A 1 119 ? 16.48137 -61.89672 49.97566 1.000 48.79623 ? 262 TYR C O 1 ATOM 1778 C CB . TYR A 1 119 ? 19.01067 -61.88917 47.69953 1.000 33.79269 ? 262 TYR C CB 1 ATOM 1779 C CG . TYR A 1 119 ? 19.64233 -62.75456 46.60842 1.000 30.34677 ? 262 TYR C CG 1 ATOM 1780 C CD1 . TYR A 1 119 ? 20.95903 -63.19473 46.72304 1.000 29.48286 ? 262 TYR C CD1 1 ATOM 1781 C CD2 . TYR A 1 119 ? 18.92628 -63.12988 45.47149 1.000 30.63316 ? 262 TYR C CD2 1 ATOM 1782 C CE1 . TYR A 1 119 ? 21.55438 -63.97579 45.74271 1.000 27.99898 ? 262 TYR C CE1 1 ATOM 1783 C CE2 . TYR A 1 119 ? 19.51218 -63.91889 44.48151 1.000 29.78301 ? 262 TYR C CE2 1 ATOM 1784 C CZ . TYR A 1 119 ? 20.83750 -64.33220 44.62227 1.000 29.73275 ? 262 TYR C CZ 1 ATOM 1785 O OH . TYR A 1 119 ? 21.44903 -65.11136 43.65670 1.000 31.11117 ? 262 TYR C OH 1 ATOM 1786 H H . TYR A 1 119 ? 16.78691 -63.32643 47.95577 1.000 40.80984 ? 262 TYR C H 1 ATOM 1787 H HA . TYR A 1 119 ? 19.18588 -63.15831 49.28594 1.000 44.86550 ? 262 TYR C HA 1 ATOM 1788 H HB2 . TYR A 1 119 ? 18.29876 -61.36636 47.29859 1.000 40.54800 ? 262 TYR C HB2 1 ATOM 1789 H HB3 . TYR A 1 119 ? 19.69497 -61.30052 48.05467 1.000 40.54800 ? 262 TYR C HB3 1 ATOM 1790 H HD1 . TYR A 1 119 ? 21.45165 -62.95909 47.47583 1.000 35.37620 ? 262 TYR C HD1 1 ATOM 1791 H HD2 . TYR A 1 119 ? 18.04504 -62.84983 45.37209 1.000 36.75657 ? 262 TYR C HD2 1 ATOM 1792 H HE1 . TYR A 1 119 ? 22.43501 -64.25775 45.84209 1.000 33.59555 ? 262 TYR C HE1 1 ATOM 1793 H HE2 . TYR A 1 119 ? 19.02200 -64.16818 43.73152 1.000 35.73638 ? 262 TYR C HE2 1 ATOM 1794 H HH . TYR A 1 119 ? 22.24468 -65.26825 43.87563 1.000 37.33017 ? 262 TYR C HH 1 ATOM 1795 N N . PHE A 1 120 ? 18.48910 -61.29987 50.78971 1.000 56.97220 ? 263 PHE C N 1 ATOM 1796 C CA . PHE A 1 120 ? 17.88806 -60.46769 51.83684 1.000 62.28691 ? 263 PHE C CA 1 ATOM 1797 C C . PHE A 1 120 ? 18.58370 -59.10729 51.99326 1.000 61.83170 ? 263 PHE C C 1 ATOM 1798 O O . PHE A 1 120 ? 19.74038 -58.92019 51.61338 1.000 63.44208 ? 263 PHE C O 1 ATOM 1799 C CB . PHE A 1 120 ? 17.87452 -61.17535 53.20357 1.000 67.83923 ? 263 PHE C CB 1 ATOM 1800 C CG . PHE A 1 120 ? 17.09751 -62.46755 53.23363 1.000 68.97498 ? 263 PHE C CG 1 ATOM 1801 C CD1 . PHE A 1 120 ? 15.89682 -62.60142 52.56266 1.000 70.87570 ? 263 PHE C CD1 1 ATOM 1802 C CD2 . PHE A 1 120 ? 17.58110 -63.55536 53.94975 1.000 70.66116 ? 263 PHE C CD2 1 ATOM 1803 C CE1 . PHE A 1 120 ? 15.19416 -63.79461 52.58784 1.000 68.85290 ? 263 PHE C CE1 1 ATOM 1804 C CE2 . PHE A 1 120 ? 16.87986 -64.74762 53.98939 1.000 69.83865 ? 263 PHE C CE2 1 ATOM 1805 C CZ . PHE A 1 120 ? 15.68542 -64.86638 53.30286 1.000 70.52066 ? 263 PHE C CZ 1 ATOM 1806 H H . PHE A 1 120 ? 19.34789 -61.34231 50.80658 1.000 68.36341 ? 263 PHE C H 1 ATOM 1807 H HA . PHE A 1 120 ? 16.97152 -60.31041 51.56095 1.000 74.74106 ? 263 PHE C HA 1 ATOM 1808 H HB2 . PHE A 1 120 ? 18.78910 -61.37810 53.45523 1.000 81.40384 ? 263 PHE C HB2 1 ATOM 1809 H HB3 . PHE A 1 120 ? 17.47536 -60.57882 53.85605 1.000 81.40384 ? 263 PHE C HB3 1 ATOM 1810 H HD1 . PHE A 1 120 ? 15.55533 -61.87903 52.08680 1.000 85.04761 ? 263 PHE C HD1 1 ATOM 1811 H HD2 . PHE A 1 120 ? 18.38668 -63.48130 54.40851 1.000 84.79016 ? 263 PHE C HD2 1 ATOM 1812 H HE1 . PHE A 1 120 ? 14.39231 -63.87285 52.12328 1.000 82.62025 ? 263 PHE C HE1 1 ATOM 1813 H HE2 . PHE A 1 120 ? 17.21107 -65.46726 54.47655 1.000 83.80315 ? 263 PHE C HE2 1 ATOM 1814 H HZ . PHE A 1 120 ? 15.21417 -65.66788 53.32336 1.000 84.62156 ? 263 PHE C HZ 1 ATOM 1815 N N . ILE B 2 22 ? -27.00474 -30.76589 -5.23214 1.000 31.17400 ? 1 ILE X N 1 ATOM 1816 C CA . ILE B 2 22 ? -25.81401 -30.41108 -4.41636 1.000 28.53813 ? 1 ILE X CA 1 ATOM 1817 C C . ILE B 2 22 ? -25.01490 -31.66814 -4.13639 1.000 26.46959 ? 1 ILE X C 1 ATOM 1818 O O . ILE B 2 22 ? -25.56653 -32.75657 -3.97794 1.000 27.59664 ? 1 ILE X O 1 ATOM 1819 C CB . ILE B 2 22 ? -26.23062 -29.64174 -3.14832 1.000 27.43437 ? 1 ILE X CB 1 ATOM 1820 C CG1 . ILE B 2 22 ? -24.98897 -29.08490 -2.43321 1.000 27.33752 ? 1 ILE X CG1 1 ATOM 1821 C CG2 . ILE B 2 22 ? -26.98438 -30.54079 -2.19069 1.000 29.86144 ? 1 ILE X CG2 1 ATOM 1822 C CD1 . ILE B 2 22 ? -25.31149 -28.05572 -1.35930 1.000 27.72557 ? 1 ILE X CD1 1 ATOM 1823 H H . ILE B 2 22 ? -27.57050 -30.07899 -5.24560 1.000 37.40557 ? 1 ILE X H 1 ATOM 1824 H HA . ILE B 2 22 ? -25.22843 -29.80974 -4.90254 1.000 34.24253 ? 1 ILE X HA 1 ATOM 1825 H HB . ILE B 2 22 ? -26.80834 -28.91326 -3.42482 1.000 32.91801 ? 1 ILE X HB 1 ATOM 1826 H HG12 . ILE B 2 22 ? -24.51813 -29.81885 -2.00833 1.000 32.80179 ? 1 ILE X HG12 1 ATOM 1827 H HG13 . ILE B 2 22 ? -24.41578 -28.65865 -3.08947 1.000 32.80179 ? 1 ILE X HG13 1 ATOM 1828 H HG21 . ILE B 2 22 ? -27.34729 -30.00155 -1.47067 1.000 35.83050 ? 1 ILE X HG21 1 ATOM 1829 H HG22 . ILE B 2 22 ? -27.70416 -30.98001 -2.67016 1.000 35.83050 ? 1 ILE X HG22 1 ATOM 1830 H HG23 . ILE B 2 22 ? -26.37322 -31.20323 -1.83214 1.000 35.83050 ? 1 ILE X HG23 1 ATOM 1831 H HD11 . ILE B 2 22 ? -24.48219 -27.69768 -1.00578 1.000 33.26746 ? 1 ILE X HD11 1 ATOM 1832 H HD12 . ILE B 2 22 ? -25.83828 -27.34279 -1.75317 1.000 33.26746 ? 1 ILE X HD12 1 ATOM 1833 H HD13 . ILE B 2 22 ? -25.81477 -28.48604 -0.65047 1.000 33.26746 ? 1 ILE X HD13 1 ATOM 1834 N N . VAL B 2 23 ? -23.69850 -31.50932 -4.12435 1.000 24.49877 ? 2 VAL X N 1 ATOM 1835 C CA . VAL B 2 23 ? -22.77610 -32.55972 -3.71143 1.000 23.34086 ? 2 VAL X CA 1 ATOM 1836 C C . VAL B 2 23 ? -22.31421 -32.22748 -2.30605 1.000 21.74783 ? 2 VAL X C 1 ATOM 1837 O O . VAL B 2 23 ? -21.84864 -31.10903 -2.04820 1.000 22.28690 ? 2 VAL X O 1 ATOM 1838 C CB . VAL B 2 23 ? -21.57198 -32.64993 -4.65620 1.000 24.60848 ? 2 VAL X CB 1 ATOM 1839 C CG1 . VAL B 2 23 ? -20.57402 -33.66430 -4.13583 1.000 24.95874 ? 2 VAL X CG1 1 ATOM 1840 C CG2 . VAL B 2 23 ? -22.02910 -33.00873 -6.06974 1.000 25.70795 ? 2 VAL X CG2 1 ATOM 1841 H H . VAL B 2 23 ? -23.30401 -30.78159 -4.35755 1.000 29.39530 ? 2 VAL X H 1 ATOM 1842 H HA . VAL B 2 23 ? -23.23225 -33.41576 -3.71484 1.000 28.00581 ? 2 VAL X HA 1 ATOM 1843 H HB . VAL B 2 23 ? -21.13147 -31.78664 -4.69602 1.000 29.52694 ? 2 VAL X HB 1 ATOM 1844 H HG11 . VAL B 2 23 ? -19.95192 -33.88810 -4.84562 1.000 29.94726 ? 2 VAL X HG11 1 ATOM 1845 H HG12 . VAL B 2 23 ? -20.09497 -33.27964 -3.38520 1.000 29.94726 ? 2 VAL X HG12 1 ATOM 1846 H HG13 . VAL B 2 23 ? -21.05117 -34.45945 -3.85128 1.000 29.94726 ? 2 VAL X HG13 1 ATOM 1847 H HG21 . VAL B 2 23 ? -21.25486 -33.04193 -6.65314 1.000 30.84631 ? 2 VAL X HG21 1 ATOM 1848 H HG22 . VAL B 2 23 ? -22.46588 -33.87460 -6.05016 1.000 30.84631 ? 2 VAL X HG22 1 ATOM 1849 H HG23 . VAL B 2 23 ? -22.64992 -32.33207 -6.38218 1.000 30.84631 ? 2 VAL X HG23 1 ATOM 1850 N N . CYS B 2 24 ? -22.41615 -33.19467 -1.40799 1.000 19.88764 ? 3 CYS X N 1 ATOM 1851 C CA . CYS B 2 24 ? -22.00225 -32.97913 -0.02237 1.000 18.50297 ? 3 CYS X CA 1 ATOM 1852 C C . CYS B 2 24 ? -21.04807 -34.07442 0.42432 1.000 16.84421 ? 3 CYS X C 1 ATOM 1853 O O . CYS B 2 24 ? -21.11458 -35.21743 -0.03133 1.000 17.22408 ? 3 CYS X O 1 ATOM 1854 C CB . CYS B 2 24 ? -23.20643 -32.98237 0.91585 1.000 19.66398 ? 3 CYS X CB 1 ATOM 1855 S SG . CYS B 2 24 ? -24.36564 -31.67173 0.57998 1.000 21.31047 ? 3 CYS X SG 1 ATOM 1856 H H . CYS B 2 24 ? -22.72006 -33.98224 -1.57221 1.000 23.86194 ? 3 CYS X H 1 ATOM 1857 H HA . CYS B 2 24 ? -21.54188 -32.12730 0.03551 1.000 22.20034 ? 3 CYS X HA 1 ATOM 1858 H HB2 . CYS B 2 24 ? -23.67510 -33.82636 0.82133 1.000 23.59355 ? 3 CYS X HB2 1 ATOM 1859 H HB3 . CYS B 2 24 ? -22.89342 -32.87704 1.82790 1.000 23.59355 ? 3 CYS X HB3 1 ATOM 1860 N N . HIS B 2 25 ? -20.18196 -33.73132 1.37757 1.000 15.60749 ? 4 HIS X N 1 ATOM 1861 C CA . HIS B 2 25 ? -19.41921 -34.75552 2.06293 1.000 16.63215 ? 4 HIS X CA 1 ATOM 1862 C C . HIS B 2 25 ? -20.33508 -35.57424 2.95586 1.000 16.52575 ? 4 HIS X C 1 ATOM 1863 O O . HIS B 2 25 ? -21.30526 -35.05515 3.52459 1.000 16.69660 ? 4 HIS X O 1 ATOM 1864 C CB . HIS B 2 25 ? -18.32627 -34.10272 2.91144 1.000 17.82607 ? 4 HIS X CB 1 ATOM 1865 C CG . HIS B 2 25 ? -17.26970 -33.43272 2.09592 1.000 18.61227 ? 4 HIS X CG 1 ATOM 1866 N ND1 . HIS B 2 25 ? -16.25351 -34.12881 1.48650 1.000 19.74665 ? 4 HIS X ND1 1 ATOM 1867 C CD2 . HIS B 2 25 ? -17.06955 -32.12910 1.80145 1.000 19.12116 ? 4 HIS X CD2 1 ATOM 1868 C CE1 . HIS B 2 25 ? -15.46906 -33.28044 0.84266 1.000 19.24022 ? 4 HIS X CE1 1 ATOM 1869 N NE2 . HIS B 2 25 ? -15.93385 -32.06393 1.02604 1.000 18.88040 ? 4 HIS X NE2 1 ATOM 1870 H H . HIS B 2 25 ? -20.02497 -32.92644 1.63665 1.000 18.72576 ? 4 HIS X H 1 ATOM 1871 H HA . HIS B 2 25 ? -19.00064 -35.34822 1.41919 1.000 19.95535 ? 4 HIS X HA 1 ATOM 1872 H HB2 . HIS B 2 25 ? -18.73136 -33.43245 3.48375 1.000 21.38805 ? 4 HIS X HB2 1 ATOM 1873 H HB3 . HIS B 2 25 ? -17.89829 -34.78536 3.45156 1.000 21.38805 ? 4 HIS X HB3 1 ATOM 1874 H HD1 . HIS B 2 25 ? -16.14479 -34.98130 1.51865 1.000 23.69275 ? 4 HIS X HD1 1 ATOM 1875 H HD2 . HIS B 2 25 ? -17.59800 -31.41289 2.07107 1.000 22.94216 ? 4 HIS X HD2 1 ATOM 1876 H HE1 . HIS B 2 25 ? -14.71660 -33.50594 0.34482 1.000 23.08503 ? 4 HIS X HE1 1 ATOM 1877 N N . THR B 2 26 ? -20.00713 -36.85734 3.07970 1.000 16.97366 ? 5 THR X N 1 ATOM 1878 C CA . THR B 2 26 ? -20.71663 -37.77565 3.94736 1.000 17.01317 ? 5 THR X CA 1 ATOM 1879 C C . THR B 2 26 ? -19.73052 -38.60095 4.76423 1.000 17.11327 ? 5 THR X C 1 ATOM 1880 O O . THR B 2 26 ? -18.66423 -39.00593 4.28588 1.000 17.32190 ? 5 THR X O 1 ATOM 1881 C CB . THR B 2 26 ? -21.63894 -38.69332 3.16885 1.000 17.93787 ? 5 THR X CB 1 ATOM 1882 O OG1 . THR B 2 26 ? -22.25035 -39.63339 4.07740 1.000 19.47587 ? 5 THR X OG1 1 ATOM 1883 C CG2 . THR B 2 26 ? -20.89406 -39.46282 2.07620 1.000 19.34517 ? 5 THR X CG2 1 ATOM 1884 H H . THR B 2 26 ? -19.35589 -37.22559 2.65558 1.000 20.36516 ? 5 THR X H 1 ATOM 1885 H HA . THR B 2 26 ? -21.25769 -37.26039 4.56595 1.000 20.41258 ? 5 THR X HA 1 ATOM 1886 H HB . THR B 2 26 ? -22.31750 -38.15488 2.73234 1.000 21.52221 ? 5 THR X HB 1 ATOM 1887 H HG1 . THR B 2 26 ? -22.10826 -40.41908 3.81646 1.000 23.36781 ? 5 THR X HG1 1 ATOM 1888 H HG21 . THR B 2 26 ? -21.49834 -40.07934 1.63388 1.000 23.21098 ? 5 THR X HG21 1 ATOM 1889 H HG22 . THR B 2 26 ? -20.53828 -38.84462 1.41882 1.000 23.21098 ? 5 THR X HG22 1 ATOM 1890 H HG23 . THR B 2 26 ? -20.16099 -39.96508 2.46511 1.000 23.21098 ? 5 THR X HG23 1 ATOM 1891 N N . THR B 2 27 ? -20.07531 -38.82541 6.02340 1.000 16.10831 ? 6 THR X N 1 ATOM 1892 C CA . THR B 2 27 ? -19.33769 -39.75169 6.87873 1.000 15.61685 ? 6 THR X CA 1 ATOM 1893 C C . THR B 2 27 ? -20.01292 -41.12645 6.93494 1.000 16.56790 ? 6 THR X C 1 ATOM 1894 O O . THR B 2 27 ? -19.67248 -41.95284 7.78421 1.000 18.09259 ? 6 THR X O 1 ATOM 1895 C CB . THR B 2 27 ? -19.18749 -39.16905 8.29458 1.000 15.25891 ? 6 THR X CB 1 ATOM 1896 O OG1 . THR B 2 27 ? -20.45720 -38.66419 8.72494 1.000 16.27661 ? 6 THR X OG1 1 ATOM 1897 C CG2 . THR B 2 27 ? -18.19289 -38.03733 8.29446 1.000 15.97743 ? 6 THR X CG2 1 ATOM 1898 H H . THR B 2 27 ? -20.74262 -38.44880 6.41386 1.000 19.32675 ? 6 THR X H 1 ATOM 1899 H HA . THR B 2 27 ? -18.44259 -39.86802 6.52355 1.000 18.73699 ? 6 THR X HA 1 ATOM 1900 H HB . THR B 2 27 ? -18.87481 -39.85766 8.90200 1.000 18.30746 ? 6 THR X HB 1 ATOM 1901 H HG1 . THR B 2 27 ? -21.04010 -39.26633 8.66790 1.000 19.52870 ? 6 THR X HG1 1 ATOM 1902 H HG21 . THR B 2 27 ? -18.06328 -37.70947 9.19812 1.000 19.16969 ? 6 THR X HG21 1 ATOM 1903 H HG22 . THR B 2 27 ? -17.34132 -38.34408 7.94570 1.000 19.16969 ? 6 THR X HG22 1 ATOM 1904 H HG23 . THR B 2 27 ? -18.51706 -37.31083 7.73946 1.000 19.16969 ? 6 THR X HG23 1 ATOM 1905 N N . ALA B 2 28 ? -20.95511 -41.40019 6.03742 1.000 16.15217 ? 7 ALA X N 1 ATOM 1906 C CA . ALA B 2 28 ? -21.63898 -42.68108 6.03851 1.000 19.33455 ? 7 ALA X CA 1 ATOM 1907 C C . ALA B 2 28 ? -20.99298 -43.71569 5.13080 1.000 17.45991 ? 7 ALA X C 1 ATOM 1908 O O . ALA B 2 28 ? -21.51395 -44.82718 5.03094 1.000 22.15159 ? 7 ALA X O 1 ATOM 1909 C CB . ALA B 2 28 ? -23.09751 -42.51149 5.64445 1.000 22.93508 ? 7 ALA X CB 1 ATOM 1910 H H . ALA B 2 28 ? -21.21258 -40.85894 5.42069 1.000 19.37938 ? 7 ALA X H 1 ATOM 1911 H HA . ALA B 2 28 ? -21.61268 -43.02560 6.94489 1.000 23.19823 ? 7 ALA X HA 1 ATOM 1912 H HB1 . ALA B 2 28 ? -23.54067 -43.37282 5.69567 1.000 27.51886 ? 7 ALA X HB1 1 ATOM 1913 H HB2 . ALA B 2 28 ? -23.51877 -41.88596 6.25448 1.000 27.51886 ? 7 ALA X HB2 1 ATOM 1914 H HB3 . ALA B 2 28 ? -23.14198 -42.17003 4.73763 1.000 27.51886 ? 7 ALA X HB3 1 ATOM 1915 N N . THR B 2 29 ? -19.88297 -43.39297 4.47016 1.000 16.01973 ? 8 THR X N 1 ATOM 1916 C CA . THR B 2 29 ? -19.26526 -44.30156 3.52832 1.000 15.72719 ? 8 THR X CA 1 ATOM 1917 C C . THR B 2 29 ? -17.84634 -44.62617 3.97052 1.000 16.39744 ? 8 THR X C 1 ATOM 1918 O O . THR B 2 29 ? -17.26070 -43.94864 4.82111 1.000 16.81269 ? 8 THR X O 1 ATOM 1919 C CB . THR B 2 29 ? -19.19671 -43.68625 2.12696 1.000 15.33088 ? 8 THR X CB 1 ATOM 1920 O OG1 . THR B 2 29 ? -18.41437 -42.50045 2.15891 1.000 15.07012 ? 8 THR X OG1 1 ATOM 1921 C CG2 . THR B 2 29 ? -20.58512 -43.34545 1.60496 1.000 17.02887 ? 8 THR X CG2 1 ATOM 1922 H H . THR B 2 29 ? -19.47024 -42.64345 4.55670 1.000 19.22044 ? 8 THR X H 1 ATOM 1923 H HA . THR B 2 29 ? -19.78736 -45.11851 3.49802 1.000 18.86940 ? 8 THR X HA 1 ATOM 1924 H HB . THR B 2 29 ? -18.79442 -44.33104 1.52422 1.000 18.39382 ? 8 THR X HB 1 ATOM 1925 H HG1 . THR B 2 29 ? -17.61111 -42.69033 2.31487 1.000 18.08091 ? 8 THR X HG1 1 ATOM 1926 H HG21 . THR B 2 29 ? -20.51921 -42.94435 0.72424 1.000 20.43141 ? 8 THR X HG21 1 ATOM 1927 H HG22 . THR B 2 29 ? -21.12371 -44.14995 1.54498 1.000 20.43141 ? 8 THR X HG22 1 ATOM 1928 H HG23 . THR B 2 29 ? -21.02040 -42.71917 2.20431 1.000 20.43141 ? 8 THR X HG23 1 ATOM 1929 N N . SER B 2 30 ? -17.31345 -45.69389 3.39211 1.000 15.44856 ? 9 SER X N 1 ATOM 1930 C CA . SER B 2 30 ? -15.94195 -46.11106 3.63261 1.000 14.44646 ? 9 SER X CA 1 ATOM 1931 C C . SER B 2 30 ? -15.19697 -46.20939 2.31480 1.000 14.89965 ? 9 SER X C 1 ATOM 1932 O O . SER B 2 30 ? -15.56103 -47.05288 1.47818 1.000 16.33867 ? 9 SER X O 1 ATOM 1933 C CB . SER B 2 30 ? -15.92811 -47.47049 4.31076 1.000 17.95022 ? 9 SER X CB 1 ATOM 1934 O OG . SER B 2 30 ? -14.59865 -47.96018 4.38089 1.000 20.99549 ? 9 SER X OG 1 ATOM 1935 H H . SER B 2 30 ? -17.73708 -46.20362 2.84409 1.000 18.53504 ? 9 SER X H 1 ATOM 1936 H HA . SER B 2 30 ? -15.50263 -45.45238 4.19300 1.000 17.33253 ? 9 SER X HA 1 ATOM 1937 H HB2 . SER B 2 30 ? -16.28459 -47.38352 5.20868 1.000 21.53704 ? 9 SER X HB2 1 ATOM 1938 H HB3 . SER B 2 30 ? -16.47019 -48.08955 3.79713 1.000 21.53704 ? 9 SER X HB3 1 ATOM 1939 H HG . SER B 2 30 ? -14.60183 -48.76814 4.61065 1.000 25.19136 ? 9 SER X HG 1 ATOM 1940 N N . PRO B 2 31 ? -14.18685 -45.37069 2.06415 1.000 15.35813 ? 10 PRO X N 1 ATOM 1941 C CA . PRO B 2 31 ? -13.74808 -44.22704 2.88136 1.000 15.30655 ? 10 PRO X CA 1 ATOM 1942 C C . PRO B 2 31 ? -14.79399 -43.14328 2.90089 1.000 15.74167 ? 10 PRO X C 1 ATOM 1943 O O . PRO B 2 31 ? -15.75927 -43.20405 2.13530 1.000 16.20309 ? 10 PRO X O 1 ATOM 1944 C CB . PRO B 2 31 ? -12.46186 -43.79228 2.18329 1.000 16.64181 ? 10 PRO X CB 1 ATOM 1945 C CG . PRO B 2 31 ? -12.73868 -44.06660 0.71777 1.000 16.53523 ? 10 PRO X CG 1 ATOM 1946 C CD . PRO B 2 31 ? -13.54434 -45.36154 0.72780 1.000 16.57044 ? 10 PRO X CD 1 ATOM 1947 H HA . PRO B 2 31 ? -13.53551 -44.49644 3.78863 1.000 18.36463 ? 10 PRO X HA 1 ATOM 1948 H HB2 . PRO B 2 31 ? -12.29759 -42.84923 2.34003 1.000 19.96695 ? 10 PRO X HB2 1 ATOM 1949 H HB3 . PRO B 2 31 ? -11.71216 -44.31746 2.50427 1.000 19.96695 ? 10 PRO X HB3 1 ATOM 1950 H HG2 . PRO B 2 31 ? -13.25094 -43.33850 0.33259 1.000 19.83904 ? 10 PRO X HG2 1 ATOM 1951 H HG3 . PRO B 2 31 ? -11.90450 -44.17696 0.23521 1.000 19.83904 ? 10 PRO X HG3 1 ATOM 1952 H HD2 . PRO B 2 31 ? -14.21348 -45.35458 0.02559 1.000 19.88130 ? 10 PRO X HD2 1 ATOM 1953 H HD3 . PRO B 2 31 ? -12.96090 -46.12927 0.62251 1.000 19.88130 ? 10 PRO X HD3 1 ATOM 1954 N N . ILE B 2 32 ? -14.67723 -42.15227 3.78795 1.000 16.00787 ? 11 ILE X N 1 ATOM 1955 C CA . ILE B 2 32 ? -15.58204 -41.01104 3.73612 1.000 15.09629 ? 11 ILE X CA 1 ATOM 1956 C C . ILE B 2 32 ? -15.46058 -40.36843 2.34915 1.000 16.19078 ? 11 ILE X C 1 ATOM 1957 O O . ILE B 2 32 ? -14.42533 -40.47332 1.67785 1.000 17.55204 ? 11 ILE X O 1 ATOM 1958 C CB . ILE B 2 32 ? -15.32826 -40.03583 4.89640 1.000 15.95925 ? 11 ILE X CB 1 ATOM 1959 C CG1 . ILE B 2 32 ? -13.98104 -39.36401 4.80413 1.000 17.70352 ? 11 ILE X CG1 1 ATOM 1960 C CG2 . ILE B 2 32 ? -15.49362 -40.80040 6.23742 1.000 16.84689 ? 11 ILE X CG2 1 ATOM 1961 C CD1 . ILE B 2 32 ? -13.80729 -38.26424 5.90509 1.000 19.65689 ? 11 ILE X CD1 1 ATOM 1962 H H . ILE B 2 32 ? -14.09217 -42.11964 4.41743 1.000 19.20622 ? 11 ILE X H 1 ATOM 1963 H HA . ILE B 2 32 ? -16.50153 -41.29903 3.84792 1.000 18.11232 ? 11 ILE X HA 1 ATOM 1964 H HB . ILE B 2 32 ? -15.98153 -39.32075 4.84337 1.000 19.14787 ? 11 ILE X HB 1 ATOM 1965 H HG12 . ILE B 2 32 ? -13.28370 -40.02765 4.92327 1.000 21.24099 ? 11 ILE X HG12 1 ATOM 1966 H HG13 . ILE B 2 32 ? -13.89265 -38.94223 3.93512 1.000 21.24099 ? 11 ILE X HG13 1 ATOM 1967 H HG21 . ILE B 2 32 ? -15.50728 -40.16042 6.96621 1.000 20.21304 ? 11 ILE X HG21 1 ATOM 1968 H HG22 . ILE B 2 32 ? -16.32681 -41.29667 6.21734 1.000 20.21304 ? 11 ILE X HG22 1 ATOM 1969 H HG23 . ILE B 2 32 ? -14.74767 -41.41068 6.34705 1.000 20.21304 ? 11 ILE X HG23 1 ATOM 1970 H HD11 . ILE B 2 32 ? -13.02314 -37.73189 5.69870 1.000 23.58503 ? 11 ILE X HD11 1 ATOM 1971 H HD12 . ILE B 2 32 ? -14.59651 -37.70039 5.91554 1.000 23.58503 ? 11 ILE X HD12 1 ATOM 1972 H HD13 . ILE B 2 32 ? -13.69710 -38.69503 6.76717 1.000 23.58503 ? 11 ILE X HD13 1 ATOM 1973 N N . SER B 2 33 ? -16.54251 -39.76659 1.87976 1.000 16.07204 ? 12 SER X N 1 ATOM 1974 C CA . SER B 2 33 ? -16.60240 -39.43187 0.45929 1.000 16.50787 ? 12 SER X CA 1 ATOM 1975 C C . SER B 2 33 ? -17.57633 -38.28158 0.24375 1.000 16.75745 ? 12 SER X C 1 ATOM 1976 O O . SER B 2 33 ? -18.20771 -37.79010 1.17349 1.000 18.73073 ? 12 SER X O 1 ATOM 1977 C CB . SER B 2 33 ? -17.02405 -40.66355 -0.35679 1.000 17.49390 ? 12 SER X CB 1 ATOM 1978 O OG . SER B 2 33 ? -18.38576 -41.00204 -0.09879 1.000 18.82695 ? 12 SER X OG 1 ATOM 1979 H H . SER B 2 33 ? -17.23228 -39.54805 2.34458 1.000 19.28322 ? 12 SER X H 1 ATOM 1980 H HA . SER B 2 33 ? -15.72498 -39.13013 0.17647 1.000 19.80622 ? 12 SER X HA 1 ATOM 1981 H HB2 . SER B 2 33 ? -16.92107 -40.46697 -1.30106 1.000 20.98945 ? 12 SER X HB2 1 ATOM 1982 H HB3 . SER B 2 33 ? -16.46023 -41.41349 -0.11062 1.000 20.98945 ? 12 SER X HB3 1 ATOM 1983 H HG . SER B 2 33 ? -18.46282 -41.31018 0.67884 1.000 22.58911 ? 12 SER X HG 1 ATOM 1984 N N . ALA B 2 34 ? -17.68689 -37.85353 -1.01318 1.000 16.68608 ? 13 ALA X N 1 ATOM 1985 C CA . ALA B 2 34 ? -18.66019 -36.87664 -1.45813 1.000 17.23477 ? 13 ALA X CA 1 ATOM 1986 C C . ALA B 2 34 ? -19.72195 -37.57376 -2.29852 1.000 17.52120 ? 13 ALA X C 1 ATOM 1987 O O . ALA B 2 34 ? -19.40679 -38.46209 -3.09796 1.000 17.63474 ? 13 ALA X O 1 ATOM 1988 C CB . ALA B 2 34 ? -17.97468 -35.80907 -2.31402 1.000 18.91125 ? 13 ALA X CB 1 ATOM 1989 H H . ALA B 2 34 ? -17.18207 -38.13179 -1.65140 1.000 20.02007 ? 13 ALA X H 1 ATOM 1990 H HA . ALA B 2 34 ? -19.08564 -36.45501 -0.69516 1.000 20.67850 ? 13 ALA X HA 1 ATOM 1991 H HB1 . ALA B 2 34 ? -18.60242 -35.08932 -2.48373 1.000 22.69027 ? 13 ALA X HB1 1 ATOM 1992 H HB2 . ALA B 2 34 ? -17.20256 -35.46863 -1.83565 1.000 22.69027 ? 13 ALA X HB2 1 ATOM 1993 H HB3 . ALA B 2 34 ? -17.69468 -36.20837 -3.15250 1.000 22.69027 ? 13 ALA X HB3 1 ATOM 1994 N N . VAL B 2 35 ? -20.97240 -37.14604 -2.14303 1.000 18.91948 ? 14 VAL X N 1 ATOM 1995 C CA . VAL B 2 35 ? -22.11658 -37.77655 -2.80330 1.000 20.87406 ? 14 VAL X CA 1 ATOM 1996 C C . VAL B 2 35 ? -23.06416 -36.70322 -3.31144 1.000 21.04436 ? 14 VAL X C 1 ATOM 1997 O O . VAL B 2 35 ? -23.16622 -35.62262 -2.72671 1.000 20.82402 ? 14 VAL X O 1 ATOM 1998 C CB . VAL B 2 35 ? -22.82446 -38.74274 -1.82721 1.000 23.03298 ? 14 VAL X CB 1 ATOM 1999 C CG1 . VAL B 2 35 ? -23.50000 -37.97265 -0.70469 1.000 23.12889 ? 14 VAL X CG1 1 ATOM 2000 C CG2 . VAL B 2 35 ? -23.78585 -39.64271 -2.56640 1.000 26.17190 ? 14 VAL X CG2 1 ATOM 2001 H H . VAL B 2 35 ? -21.19019 -36.47676 -1.64884 1.000 22.70015 ? 14 VAL X H 1 ATOM 2002 H HA . VAL B 2 35 ? -21.82177 -38.27262 -3.58298 1.000 25.04564 ? 14 VAL X HA 1 ATOM 2003 H HB . VAL B 2 35 ? -22.16285 -39.31952 -1.41430 1.000 27.63635 ? 14 VAL X HB 1 ATOM 2004 H HG11 . VAL B 2 35 ? -23.76586 -38.59526 -0.01002 1.000 27.75144 ? 14 VAL X HG11 1 ATOM 2005 H HG12 . VAL B 2 35 ? -22.87450 -37.32394 -0.34576 1.000 27.75144 ? 14 VAL X HG12 1 ATOM 2006 H HG13 . VAL B 2 35 ? -24.28078 -37.51866 -1.05849 1.000 27.75144 ? 14 VAL X HG13 1 ATOM 2007 H HG21 . VAL B 2 35 ? -24.11780 -40.31946 -1.95589 1.000 31.40305 ? 14 VAL X HG21 1 ATOM 2008 H HG22 . VAL B 2 35 ? -24.52339 -39.10934 -2.90173 1.000 31.40305 ? 14 VAL X HG22 1 ATOM 2009 H HG23 . VAL B 2 35 ? -23.31948 -40.06393 -3.30530 1.000 31.40305 ? 14 VAL X HG23 1 ATOM 2010 N N . THR B 2 36 ? -23.75116 -36.98866 -4.42496 1.000 23.03391 ? 15 THR X N 1 ATOM 2011 C CA . THR B 2 36 ? -24.86148 -36.13266 -4.83263 1.000 24.02365 ? 15 THR X CA 1 ATOM 2012 C C . THR B 2 36 ? -26.06595 -36.42611 -3.94786 1.000 25.47687 ? 15 THR X C 1 ATOM 2013 O O . THR B 2 36 ? -26.48216 -37.58337 -3.81257 1.000 26.06358 ? 15 THR X O 1 ATOM 2014 C CB . THR B 2 36 ? -25.20734 -36.32429 -6.30865 1.000 28.39637 ? 15 THR X CB 1 ATOM 2015 O OG1 . THR B 2 36 ? -24.06423 -35.95236 -7.08599 1.000 28.78847 ? 15 THR X OG1 1 ATOM 2016 C CG2 . THR B 2 36 ? -26.39713 -35.44335 -6.68201 1.000 29.54858 ? 15 THR X CG2 1 ATOM 2017 H H . THR B 2 36 ? -23.59438 -37.65575 -4.94458 1.000 27.63747 ? 15 THR X H 1 ATOM 2018 H HA . THR B 2 36 ? -24.60310 -35.20462 -4.71909 1.000 28.82515 ? 15 THR X HA 1 ATOM 2019 H HB . THR B 2 36 ? -25.44652 -37.24603 -6.49328 1.000 34.07241 ? 15 THR X HB 1 ATOM 2020 H HG1 . THR B 2 36 ? -24.17603 -36.17787 -7.88739 1.000 34.54294 ? 15 THR X HG1 1 ATOM 2021 H HG21 . THR B 2 36 ? -26.50685 -35.42496 -7.64561 1.000 35.45506 ? 15 THR X HG21 1 ATOM 2022 H HG22 . THR B 2 36 ? -27.20767 -35.79249 -6.27949 1.000 35.45506 ? 15 THR X HG22 1 ATOM 2023 H HG23 . THR B 2 36 ? -26.25246 -34.53834 -6.36432 1.000 35.45506 ? 15 THR X HG23 1 ATOM 2024 N N . CYS B 2 37 ? -26.61519 -35.37878 -3.34723 1.000 25.26820 ? 16 CYS X N 1 ATOM 2025 C CA . CYS B 2 37 ? -27.70075 -35.54143 -2.40208 1.000 26.99775 ? 16 CYS X CA 1 ATOM 2026 C C . CYS B 2 37 ? -28.98652 -35.94822 -3.11856 1.000 29.45823 ? 16 CYS X C 1 ATOM 2027 O O . CYS B 2 37 ? -29.18124 -35.63362 -4.30130 1.000 28.79804 ? 16 CYS X O 1 ATOM 2028 C CB . CYS B 2 37 ? -27.93262 -34.24209 -1.65689 1.000 26.47253 ? 16 CYS X CB 1 ATOM 2029 S SG . CYS B 2 37 ? -26.51887 -33.79304 -0.64752 1.000 27.94210 ? 16 CYS X SG 1 ATOM 2030 H H . CYS B 2 37 ? -26.37497 -34.56246 -3.47180 1.000 30.31860 ? 16 CYS X H 1 ATOM 2031 H HA . CYS B 2 37 ? -27.47487 -36.23818 -1.76614 1.000 32.39406 ? 16 CYS X HA 1 ATOM 2032 H HB2 . CYS B 2 37 ? -28.08844 -33.53015 -2.29702 1.000 31.76380 ? 16 CYS X HB2 1 ATOM 2033 H HB3 . CYS B 2 37 ? -28.70306 -34.34022 -1.07578 1.000 31.76380 ? 16 CYS X HB3 1 ATOM 2034 N N . PRO B 2 38 ? -29.87143 -36.65893 -2.42389 1.000 31.08599 ? 17 PRO X N 1 ATOM 2035 C CA . PRO B 2 38 ? -31.12942 -37.10246 -3.03233 1.000 33.11631 ? 17 PRO X CA 1 ATOM 2036 C C . PRO B 2 38 ? -31.99436 -35.91276 -3.40540 1.000 35.45406 ? 17 PRO X C 1 ATOM 2037 O O . PRO B 2 38 ? -31.77478 -34.79237 -2.92401 1.000 33.52228 ? 17 PRO X O 1 ATOM 2038 C CB . PRO B 2 38 ? -31.79710 -37.92512 -1.91794 1.000 33.98090 ? 17 PRO X CB 1 ATOM 2039 C CG . PRO B 2 38 ? -30.70592 -38.27967 -0.95362 1.000 33.71239 ? 17 PRO X CG 1 ATOM 2040 C CD . PRO B 2 38 ? -29.70499 -37.15960 -1.04208 1.000 31.86892 ? 17 PRO X CD 1 ATOM 2041 H HA . PRO B 2 38 ? -30.96154 -37.66019 -3.80799 1.000 39.73635 ? 17 PRO X HA 1 ATOM 2042 H HB2 . PRO B 2 38 ? -32.47953 -37.39058 -1.48268 1.000 40.77386 ? 17 PRO X HB2 1 ATOM 2043 H HB3 . PRO B 2 38 ? -32.19379 -38.72517 -2.29669 1.000 40.77386 ? 17 PRO X HB3 1 ATOM 2044 H HG2 . PRO B 2 38 ? -31.06970 -38.34609 -0.05688 1.000 40.45164 ? 17 PRO X HG2 1 ATOM 2045 H HG3 . PRO B 2 38 ? -30.30212 -39.12319 -1.21115 1.000 40.45164 ? 17 PRO X HG3 1 ATOM 2046 H HD2 . PRO B 2 38 ? -29.90766 -36.46437 -0.39673 1.000 38.23947 ? 17 PRO X HD2 1 ATOM 2047 H HD3 . PRO B 2 38 ? -28.80407 -37.49042 -0.90142 1.000 38.23947 ? 17 PRO X HD3 1 ATOM 2048 N N . PRO B 2 39 ? -32.99736 -36.12741 -4.25248 1.000 35.07805 ? 18 PRO X N 1 ATOM 2049 C CA . PRO B 2 39 ? -33.91317 -35.03454 -4.60001 1.000 37.24613 ? 18 PRO X CA 1 ATOM 2050 C C . PRO B 2 39 ? -34.54834 -34.42099 -3.36908 1.000 35.87146 ? 18 PRO X C 1 ATOM 2051 O O . PRO B 2 39 ? -34.96426 -35.12345 -2.44464 1.000 36.37009 ? 18 PRO X O 1 ATOM 2052 C CB . PRO B 2 39 ? -34.97337 -35.71898 -5.48018 1.000 37.62148 ? 18 PRO X CB 1 ATOM 2053 C CG . PRO B 2 39 ? -34.31653 -36.96958 -6.00243 1.000 37.43493 ? 18 PRO X CG 1 ATOM 2054 C CD . PRO B 2 39 ? -33.30220 -37.38381 -4.96800 1.000 37.37294 ? 18 PRO X CD 1 ATOM 2055 H HA . PRO B 2 39 ? -33.44384 -34.35248 -5.10541 1.000 44.69213 ? 18 PRO X HA 1 ATOM 2056 H HB2 . PRO B 2 39 ? -35.75319 -35.93594 -4.94567 1.000 45.14255 ? 18 PRO X HB2 1 ATOM 2057 H HB3 . PRO B 2 39 ? -35.22419 -35.13042 -6.20928 1.000 45.14255 ? 18 PRO X HB3 1 ATOM 2058 H HG2 . PRO B 2 39 ? -34.98525 -37.66213 -6.12104 1.000 44.91868 ? 18 PRO X HG2 1 ATOM 2059 H HG3 . PRO B 2 39 ? -33.88251 -36.77906 -6.84873 1.000 44.91868 ? 18 PRO X HG3 1 ATOM 2060 H HD2 . PRO B 2 39 ? -33.67821 -38.04155 -4.36228 1.000 44.84430 ? 18 PRO X HD2 1 ATOM 2061 H HD3 . PRO B 2 39 ? -32.50549 -37.73997 -5.39145 1.000 44.84430 ? 18 PRO X HD3 1 ATOM 2062 N N . GLY B 2 40 ? -34.62585 -33.09410 -3.36982 1.000 34.31854 ? 19 GLY X N 1 ATOM 2063 C CA . GLY B 2 40 ? -35.21791 -32.36427 -2.26477 1.000 35.29129 ? 19 GLY X CA 1 ATOM 2064 C C . GLY B 2 40 ? -34.30367 -32.10759 -1.09342 1.000 35.13767 ? 19 GLY X C 1 ATOM 2065 O O . GLY B 2 40 ? -34.69477 -31.37326 -0.17850 1.000 36.68453 ? 19 GLY X O 1 ATOM 2066 H H . GLY B 2 40 ? -34.33866 -32.59278 -4.00685 1.000 41.17902 ? 19 GLY X H 1 ATOM 2067 H HA2 . GLY B 2 40 ? -35.52354 -31.50390 -2.59228 1.000 42.34631 ? 19 GLY X HA2 1 ATOM 2068 H HA3 . GLY B 2 40 ? -35.98038 -32.86646 -1.93714 1.000 42.34631 ? 19 GLY X HA3 1 ATOM 2069 N N . GLU B 2 41 ? -33.10647 -32.68824 -1.07859 1.000 33.63740 ? 20 GLU X N 1 ATOM 2070 C CA . GLU B 2 41 ? -32.10794 -32.41727 -0.04291 1.000 32.43787 ? 20 GLU X CA 1 ATOM 2071 C C . GLU B 2 41 ? -31.06729 -31.51440 -0.68934 1.000 31.24872 ? 20 GLU X C 1 ATOM 2072 O O . GLU B 2 41 ? -30.20558 -31.98205 -1.43770 1.000 30.98439 ? 20 GLU X O 1 ATOM 2073 C CB . GLU B 2 41 ? -31.51863 -33.72405 0.48205 1.000 32.25974 ? 20 GLU X CB 1 ATOM 2074 C CG . GLU B 2 41 ? -32.59515 -34.63870 1.09789 1.000 33.81478 ? 20 GLU X CG 1 ATOM 2075 C CD . GLU B 2 41 ? -32.05211 -35.89052 1.75747 1.000 35.41353 ? 20 GLU X CD 1 ATOM 2076 O OE1 . GLU B 2 41 ? -30.87940 -35.88420 2.18335 1.000 34.32718 ? 20 GLU X OE1 1 ATOM 2077 O OE2 . GLU B 2 41 ? -32.80188 -36.88067 1.85159 1.000 38.70009 -1 20 GLU X OE2 1 ATOM 2078 H H . GLU B 2 41 ? -32.84258 -33.25471 -1.66941 1.000 40.36166 ? 20 GLU X H 1 ATOM 2079 H HA . GLU B 2 41 ? -32.49752 -31.95406 0.71508 1.000 38.92222 ? 20 GLU X HA 1 ATOM 2080 H HB2 . GLU B 2 41 ? -31.09862 -34.20089 -0.25083 1.000 38.70846 ? 20 GLU X HB2 1 ATOM 2081 H HB3 . GLU B 2 41 ? -30.86201 -33.52439 1.16754 1.000 38.70846 ? 20 GLU X HB3 1 ATOM 2082 H HG2 . GLU B 2 41 ? -33.07754 -34.13741 1.77384 1.000 40.57451 ? 20 GLU X HG2 1 ATOM 2083 H HG3 . GLU B 2 41 ? -33.20283 -34.91809 0.39534 1.000 40.57451 ? 20 GLU X HG3 1 ATOM 2084 N N . ASN B 2 42 ? -31.17437 -30.21002 -0.43412 1.000 30.03669 ? 21 ASN X N 1 ATOM 2085 C CA . ASN B 2 42 ? -30.35149 -29.21595 -1.11012 1.000 29.44127 ? 21 ASN X CA 1 ATOM 2086 C C . ASN B 2 42 ? -29.38724 -28.52668 -0.16493 1.000 27.67049 ? 21 ASN X C 1 ATOM 2087 O O . ASN B 2 42 ? -28.79645 -27.49954 -0.52171 1.000 28.54678 ? 21 ASN X O 1 ATOM 2088 C CB . ASN B 2 42 ? -31.25610 -28.22128 -1.84031 1.000 31.06800 ? 21 ASN X CB 1 ATOM 2089 C CG . ASN B 2 42 ? -32.08310 -28.89375 -2.90537 1.000 33.88058 ? 21 ASN X CG 1 ATOM 2090 O OD1 . ASN B 2 42 ? -31.53832 -29.58736 -3.76987 1.000 35.40692 ? 21 ASN X OD1 1 ATOM 2091 N ND2 . ASN B 2 42 ? -33.39879 -28.71657 -2.84492 1.000 34.49211 ? 21 ASN X ND2 1 ATOM 2092 H H . ASN B 2 42 ? -31.72520 -29.87506 0.13508 1.000 36.04080 ? 21 ASN X H 1 ATOM 2093 H HA . ASN B 2 42 ? -29.80257 -29.64519 -1.78491 1.000 35.32630 ? 21 ASN X HA 1 ATOM 2094 H HB2 . ASN B 2 42 ? -31.85931 -27.80952 -1.20196 1.000 37.27837 ? 21 ASN X HB2 1 ATOM 2095 H HB3 . ASN B 2 42 ? -30.70810 -27.54252 -2.26444 1.000 37.27837 ? 21 ASN X HB3 1 ATOM 2096 H HD21 . ASN B 2 42 ? -33.73967 -28.23641 -2.21815 1.000 41.38730 ? 21 ASN X HD21 1 ATOM 2097 H HD22 . ASN B 2 42 ? -33.90934 -29.08208 -3.43258 1.000 41.38730 ? 21 ASN X HD22 1 ATOM 2098 N N . LEU B 2 43 ? -29.19857 -29.08716 1.01960 1.000 25.50022 ? 22 LEU X N 1 ATOM 2099 C CA . LEU B 2 43 ? -28.25485 -28.57720 1.99282 1.000 25.08486 ? 22 LEU X CA 1 ATOM 2100 C C . LEU B 2 43 ? -27.25404 -29.66055 2.35015 1.000 23.16374 ? 22 LEU X C 1 ATOM 2101 O O . LEU B 2 43 ? -27.59405 -30.84462 2.42552 1.000 25.45009 ? 22 LEU X O 1 ATOM 2102 C CB . LEU B 2 43 ? -28.96392 -28.20038 3.29296 1.000 27.17717 ? 22 LEU X CB 1 ATOM 2103 C CG . LEU B 2 43 ? -29.96445 -27.05546 3.25553 1.000 29.13298 ? 22 LEU X CG 1 ATOM 2104 C CD1 . LEU B 2 43 ? -30.67028 -26.92046 4.57592 1.000 30.09519 ? 22 LEU X CD1 1 ATOM 2105 C CD2 . LEU B 2 43 ? -29.24440 -25.76556 2.89267 1.000 31.50103 ? 22 LEU X CD2 1 ATOM 2106 H H . LEU B 2 43 ? -29.62060 -29.78651 1.28870 1.000 30.59703 ? 22 LEU X H 1 ATOM 2107 H HA . LEU B 2 43 ? -27.80229 -27.80721 1.61441 1.000 30.09860 ? 22 LEU X HA 1 ATOM 2108 H HB2 . LEU B 2 43 ? -29.44729 -28.98251 3.60203 1.000 32.60938 ? 22 LEU X HB2 1 ATOM 2109 H HB3 . LEU B 2 43 ? -28.28333 -27.95433 3.93883 1.000 32.60938 ? 22 LEU X HB3 1 ATOM 2110 H HG . LEU B 2 43 ? -30.64038 -27.23480 2.58333 1.000 34.95635 ? 22 LEU X HG 1 ATOM 2111 H HD11 . LEU B 2 43 ? -31.32048 -26.20326 4.51457 1.000 36.11099 ? 22 LEU X HD11 1 ATOM 2112 H HD12 . LEU B 2 43 ? -31.11792 -27.75605 4.78161 1.000 36.11099 ? 22 LEU X HD12 1 ATOM 2113 H HD13 . LEU B 2 43 ? -30.01728 -26.71699 5.26374 1.000 36.11099 ? 22 LEU X HD13 1 ATOM 2114 H HD21 . LEU B 2 43 ? -29.87177 -25.02773 2.94667 1.000 37.79801 ? 22 LEU X HD21 1 ATOM 2115 H HD22 . LEU B 2 43 ? -28.51441 -25.62532 3.51584 1.000 37.79801 ? 22 LEU X HD22 1 ATOM 2116 H HD23 . LEU B 2 43 ? -28.89857 -25.84025 1.98949 1.000 37.79801 ? 22 LEU X HD23 1 ATOM 2117 N N . CYS B 2 44 ? -26.02018 -29.24003 2.59739 1.000 21.33017 ? 23 CYS X N 1 ATOM 2118 C CA . CYS B 2 44 ? -25.06040 -30.07037 3.30234 1.000 19.80465 ? 23 CYS X CA 1 ATOM 2119 C C . CYS B 2 44 ? -25.11595 -29.70197 4.77672 1.000 19.40606 ? 23 CYS X C 1 ATOM 2120 O O . CYS B 2 44 ? -25.38144 -28.55379 5.12598 1.000 21.41366 ? 23 CYS X O 1 ATOM 2121 C CB . CYS B 2 44 ? -23.63114 -29.82980 2.83366 1.000 18.33222 ? 23 CYS X CB 1 ATOM 2122 S SG . CYS B 2 44 ? -23.34478 -29.99777 1.05813 1.000 20.74533 ? 23 CYS X SG 1 ATOM 2123 H H . CYS B 2 44 ? -25.71527 -28.47059 2.36375 1.000 25.59297 ? 23 CYS X H 1 ATOM 2124 H HA . CYS B 2 44 ? -25.27692 -31.00341 3.14921 1.000 23.76235 ? 23 CYS X HA 1 ATOM 2125 H HB2 . CYS B 2 44 ? -23.37869 -28.92649 3.08102 1.000 21.99543 ? 23 CYS X HB2 1 ATOM 2126 H HB3 . CYS B 2 44 ? -23.05395 -30.46941 3.27936 1.000 21.99543 ? 23 CYS X HB3 1 ATOM 2127 N N . TYR B 2 45 ? -24.83016 -30.66654 5.63211 1.000 18.51742 ? 24 TYR X N 1 ATOM 2128 C CA . TYR B 2 45 ? -24.79382 -30.40857 7.06308 1.000 17.91851 ? 24 TYR X CA 1 ATOM 2129 C C . TYR B 2 45 ? -23.57665 -31.03623 7.72825 1.000 17.94899 ? 24 TYR X C 1 ATOM 2130 O O . TYR B 2 45 ? -22.97954 -32.00227 7.24763 1.000 17.11885 ? 24 TYR X O 1 ATOM 2131 C CB . TYR B 2 45 ? -26.05486 -30.88452 7.76741 1.000 19.87841 ? 24 TYR X CB 1 ATOM 2132 C CG . TYR B 2 45 ? -26.12160 -32.36859 8.02400 1.000 19.65264 ? 24 TYR X CG 1 ATOM 2133 C CD1 . TYR B 2 45 ? -25.56525 -32.93341 9.17515 1.000 20.37070 ? 24 TYR X CD1 1 ATOM 2134 C CD2 . TYR B 2 45 ? -26.75270 -33.23139 7.12121 1.000 20.01838 ? 24 TYR X CD2 1 ATOM 2135 C CE1 . TYR B 2 45 ? -25.62822 -34.27488 9.41668 1.000 19.02990 ? 24 TYR X CE1 1 ATOM 2136 C CE2 . TYR B 2 45 ? -26.82478 -34.59330 7.36416 1.000 19.04328 ? 24 TYR X CE2 1 ATOM 2137 C CZ . TYR B 2 45 ? -26.26277 -35.11335 8.51168 1.000 20.51275 ? 24 TYR X CZ 1 ATOM 2138 O OH . TYR B 2 45 ? -26.31223 -36.44975 8.77301 1.000 21.71550 ? 24 TYR X OH 1 ATOM 2139 H H . TYR B 2 45 ? -24.65360 -31.47845 5.41024 1.000 22.21767 ? 24 TYR X H 1 ATOM 2140 H HA . TYR B 2 45 ? -24.71335 -29.44821 7.17322 1.000 21.49898 ? 24 TYR X HA 1 ATOM 2141 H HB2 . TYR B 2 45 ? -26.11336 -30.43824 8.62666 1.000 23.85087 ? 24 TYR X HB2 1 ATOM 2142 H HB3 . TYR B 2 45 ? -26.81973 -30.64987 7.21894 1.000 23.85087 ? 24 TYR X HB3 1 ATOM 2143 H HD1 . TYR B 2 45 ? -25.14157 -32.38110 9.79187 1.000 24.44161 ? 24 TYR X HD1 1 ATOM 2144 H HD2 . TYR B 2 45 ? -27.13008 -32.88477 6.34510 1.000 24.01883 ? 24 TYR X HD2 1 ATOM 2145 H HE1 . TYR B 2 45 ? -25.24583 -34.62705 10.18782 1.000 22.83265 ? 24 TYR X HE1 1 ATOM 2146 H HE2 . TYR B 2 45 ? -27.25005 -35.15439 6.75652 1.000 22.84870 ? 24 TYR X HE2 1 ATOM 2147 H HH . TYR B 2 45 ? -25.68702 -36.84389 8.37379 1.000 26.05537 ? 24 TYR X HH 1 ATOM 2148 N N . ARG B 2 46 ? -23.23999 -30.45345 8.87282 1.000 17.67209 ? 25 ARG X N 1 ATOM 2149 C CA . ARG B 2 46 ? -22.23330 -30.93847 9.80077 1.000 17.11820 ? 25 ARG X CA 1 ATOM 2150 C C . ARG B 2 46 ? -22.88944 -30.92293 11.17210 1.000 16.19301 ? 25 ARG X C 1 ATOM 2151 O O . ARG B 2 46 ? -23.44237 -29.90015 11.57210 1.000 17.81253 ? 25 ARG X O 1 ATOM 2152 C CB . ARG B 2 46 ? -21.03599 -29.99301 9.78770 1.000 19.52491 ? 25 ARG X CB 1 ATOM 2153 C CG . ARG B 2 46 ? -19.93330 -30.30884 10.78509 1.000 20.47449 ? 25 ARG X CG 1 ATOM 2154 C CD . ARG B 2 46 ? -18.92184 -29.14791 10.92041 1.000 19.05620 ? 25 ARG X CD 1 ATOM 2155 N NE . ARG B 2 46 ? -18.41813 -28.75538 9.63374 1.000 21.10422 ? 25 ARG X NE 1 ATOM 2156 C CZ . ARG B 2 46 ? -17.49712 -29.41781 8.95660 1.000 20.48075 ? 25 ARG X CZ 1 ATOM 2157 N NH1 . ARG B 2 46 ? -16.71997 -30.34428 9.53416 1.000 20.39642 ? 25 ARG X NH1 1 ATOM 2158 N NH2 . ARG B 2 46 ? -17.35622 -29.15521 7.66733 1.000 22.69714 ? 25 ARG X NH2 1 ATOM 2159 H H . ARG B 2 46 ? -23.60699 -29.72683 9.15019 1.000 21.20327 ? 25 ARG X H 1 ATOM 2160 H HA . ARG B 2 46 ? -21.92732 -31.83348 9.58573 1.000 20.53861 ? 25 ARG X HA 1 ATOM 2161 H HB2 . ARG B 2 46 ? -20.63904 -30.01752 8.90299 1.000 23.42667 ? 25 ARG X HB2 1 ATOM 2162 H HB3 . ARG B 2 46 ? -21.35353 -29.09777 9.98417 1.000 23.42667 ? 25 ARG X HB3 1 ATOM 2163 H HG2 . ARG B 2 46 ? -20.32776 -30.46930 11.65661 1.000 24.56615 ? 25 ARG X HG2 1 ATOM 2164 H HG3 . ARG B 2 46 ? -19.45131 -31.09679 10.48892 1.000 24.56615 ? 25 ARG X HG3 1 ATOM 2165 H HD2 . ARG B 2 46 ? -19.35955 -28.38312 11.32588 1.000 22.86421 ? 25 ARG X HD2 1 ATOM 2166 H HD3 . ARG B 2 46 ? -18.17463 -29.43225 11.46970 1.000 22.86421 ? 25 ARG X HD3 1 ATOM 2167 H HE . ARG B 2 46 ? -18.73810 -28.03989 9.27978 1.000 25.32183 ? 25 ARG X HE 1 ATOM 2168 H HH11 . ARG B 2 46 ? -16.81290 -30.52301 10.37024 1.000 24.47247 ? 25 ARG X HH11 1 ATOM 2169 H HH12 . ARG B 2 46 ? -16.12830 -30.76010 9.06873 1.000 24.47247 ? 25 ARG X HH12 1 ATOM 2170 H HH21 . ARG B 2 46 ? -17.85738 -28.56618 7.29119 1.000 27.23334 ? 25 ARG X HH21 1 ATOM 2171 H HH22 . ARG B 2 46 ? -16.76347 -29.57357 7.20556 1.000 27.23334 ? 25 ARG X HH22 1 ATOM 2172 N N . LYS B 2 47 ? -22.81615 -32.03641 11.88646 1.000 16.58349 ? 26 LYS X N 1 ATOM 2173 C CA . LYS B 2 47 ? -23.35813 -32.16416 13.23774 1.000 17.49650 ? 26 LYS X CA 1 ATOM 2174 C C . LYS B 2 47 ? -22.22695 -32.68588 14.10516 1.000 17.74589 ? 26 LYS X C 1 ATOM 2175 O O . LYS B 2 47 ? -21.55566 -33.65563 13.73038 1.000 18.12932 ? 26 LYS X O 1 ATOM 2176 C CB . LYS B 2 47 ? -24.54828 -33.13329 13.24920 1.000 19.43492 ? 26 LYS X CB 1 ATOM 2177 C CG . LYS B 2 47 ? -25.17295 -33.43208 14.60323 1.000 21.01690 ? 26 LYS X CG 1 ATOM 2178 C CD . LYS B 2 47 ? -26.34451 -34.42523 14.39659 1.000 24.24549 ? 26 LYS X CD 1 ATOM 2179 C CE . LYS B 2 47 ? -27.08947 -34.77481 15.67649 1.000 28.97604 ? 26 LYS X CE 1 ATOM 2180 N NZ . LYS B 2 47 ? -28.19392 -35.75702 15.36796 1.000 29.25423 ? 26 LYS X NZ 1 ATOM 2181 H H . LYS B 2 47 ? -22.44487 -32.75852 11.60308 1.000 19.89695 ? 26 LYS X H 1 ATOM 2182 H HA . LYS B 2 47 ? -23.66964 -31.31427 13.58638 1.000 20.99257 ? 26 LYS X HA 1 ATOM 2183 H HB2 . LYS B 2 47 ? -25.24710 -32.75737 12.69132 1.000 23.31867 ? 26 LYS X HB2 1 ATOM 2184 H HB3 . LYS B 2 47 ? -24.24978 -33.97988 12.88166 1.000 23.31867 ? 26 LYS X HB3 1 ATOM 2185 H HG2 . LYS B 2 47 ? -24.51522 -33.83525 15.19123 1.000 25.21706 ? 26 LYS X HG2 1 ATOM 2186 H HG3 . LYS B 2 47 ? -25.51541 -32.61538 14.99898 1.000 25.21706 ? 26 LYS X HG3 1 ATOM 2187 H HD2 . LYS B 2 47 ? -26.98325 -34.03090 13.78225 1.000 29.09136 ? 26 LYS X HD2 1 ATOM 2188 H HD3 . LYS B 2 47 ? -25.99299 -35.24972 14.02572 1.000 29.09136 ? 26 LYS X HD3 1 ATOM 2189 H HE2 . LYS B 2 47 ? -26.47858 -35.18019 16.31162 1.000 34.76802 ? 26 LYS X HE2 1 ATOM 2190 H HE3 . LYS B 2 47 ? -27.48091 -33.97340 16.05783 1.000 34.76802 ? 26 LYS X HE3 1 ATOM 2191 H HZ1 . LYS B 2 47 ? -28.70614 -35.87461 16.08622 1.000 35.10185 ? 26 LYS X HZ1 1 ATOM 2192 H HZ2 . LYS B 2 47 ? -28.69726 -35.44960 14.70144 1.000 35.10185 ? 26 LYS X HZ2 1 ATOM 2193 H HZ3 . LYS B 2 47 ? -27.84635 -36.54091 15.12959 1.000 35.10185 ? 26 LYS X HZ3 1 ATOM 2194 N N . MET B 2 48 ? -21.99432 -32.03134 15.24836 1.000 17.16172 ? 27 MET X N 1 ATOM 2195 C CA . MET B 2 48 ? -20.86227 -32.39145 16.08328 1.000 17.80261 ? 27 MET X CA 1 ATOM 2196 C C . MET B 2 48 ? -21.25711 -32.44366 17.54637 1.000 17.56740 ? 27 MET X C 1 ATOM 2197 O O . MET B 2 48 ? -22.10462 -31.67096 18.01335 1.000 18.84083 ? 27 MET X O 1 ATOM 2198 C CB . MET B 2 48 ? -19.74058 -31.38436 15.94037 1.000 20.66299 ? 27 MET X CB 1 ATOM 2199 C CG . MET B 2 48 ? -19.13265 -31.44765 14.58255 1.000 25.09037 ? 27 MET X CG 1 ATOM 2200 S SD . MET B 2 48 ? -17.68576 -30.41521 14.65988 1.000 34.42958 ? 27 MET X SD 1 ATOM 2201 C CE . MET B 2 48 ? -18.53621 -28.86013 14.47475 1.000 28.64117 ? 27 MET X CE 1 ATOM 2202 H H . MET B 2 48 ? -22.47577 -31.38575 15.55005 1.000 20.59084 ? 27 MET X H 1 ATOM 2203 H HA . MET B 2 48 ? -20.55745 -33.27005 15.80753 1.000 21.35991 ? 27 MET X HA 1 ATOM 2204 H HB2 . MET B 2 48 ? -20.09085 -30.49048 16.07888 1.000 24.79236 ? 27 MET X HB2 1 ATOM 2205 H HB3 . MET B 2 48 ? -19.05087 -31.57555 16.59509 1.000 24.79236 ? 27 MET X HB3 1 ATOM 2206 H HG2 . MET B 2 48 ? -18.87746 -32.35729 14.36268 1.000 30.10522 ? 27 MET X HG2 1 ATOM 2207 H HG3 . MET B 2 48 ? -19.74718 -31.10490 13.91490 1.000 30.10522 ? 27 MET X HG3 1 ATOM 2208 H HE1 . MET B 2 48 ? -17.88132 -28.15346 14.36234 1.000 34.36617 ? 27 MET X HE1 1 ATOM 2209 H HE2 . MET B 2 48 ? -19.11108 -28.90547 13.69477 1.000 34.36617 ? 27 MET X HE2 1 ATOM 2210 H HE3 . MET B 2 48 ? -19.06835 -28.69473 15.26870 1.000 34.36617 ? 27 MET X HE3 1 ATOM 2211 N N . TRP B 2 49 ? -20.62888 -33.38086 18.24514 1.000 16.55162 ? 28 TRP X N 1 ATOM 2212 C CA . TRP B 2 49 ? -20.83805 -33.55360 19.67658 1.000 16.42428 ? 28 TRP X CA 1 ATOM 2213 C C . TRP B 2 49 ? -19.61876 -34.24796 20.27082 1.000 16.04754 ? 28 TRP X C 1 ATOM 2214 O O . TRP B 2 49 ? -18.84715 -34.90811 19.56679 1.000 17.19263 ? 28 TRP X O 1 ATOM 2215 C CB . TRP B 2 49 ? -22.11272 -34.35963 19.95914 1.000 17.68713 ? 28 TRP X CB 1 ATOM 2216 C CG . TRP B 2 49 ? -22.07131 -35.77342 19.43852 1.000 19.02977 ? 28 TRP X CG 1 ATOM 2217 C CD1 . TRP B 2 49 ? -21.70570 -36.90011 20.12484 1.000 18.13025 ? 28 TRP X CD1 1 ATOM 2218 C CD2 . TRP B 2 49 ? -22.41726 -36.21877 18.11345 1.000 18.04157 ? 28 TRP X CD2 1 ATOM 2219 N NE1 . TRP B 2 49 ? -21.79687 -38.00775 19.31280 1.000 19.60753 ? 28 TRP X NE1 1 ATOM 2220 C CE2 . TRP B 2 49 ? -22.25031 -37.62042 18.07996 1.000 18.73880 ? 28 TRP X CE2 1 ATOM 2221 C CE3 . TRP B 2 49 ? -22.88320 -35.57457 16.96812 1.000 18.88842 ? 28 TRP X CE3 1 ATOM 2222 C CZ2 . TRP B 2 49 ? -22.50445 -38.37513 16.93343 1.000 18.74822 ? 28 TRP X CZ2 1 ATOM 2223 C CZ3 . TRP B 2 49 ? -23.11912 -36.32433 15.83410 1.000 18.50487 ? 28 TRP X CZ3 1 ATOM 2224 C CH2 . TRP B 2 49 ? -22.93120 -37.70429 15.82061 1.000 17.79288 ? 28 TRP X CH2 1 ATOM 2225 H H . TRP B 2 49 ? -20.06738 -33.93844 17.90835 1.000 19.85871 ? 28 TRP X H 1 ATOM 2226 H HA . TRP B 2 49 ? -20.92509 -32.68422 20.09788 1.000 19.70591 ? 28 TRP X HA 1 ATOM 2227 H HB2 . TRP B 2 49 ? -22.24742 -34.40242 20.91879 1.000 21.22133 ? 28 TRP X HB2 1 ATOM 2228 H HB3 . TRP B 2 49 ? -22.86345 -33.91213 19.53838 1.000 21.22133 ? 28 TRP X HB3 1 ATOM 2229 H HD1 . TRP B 2 49 ? -21.43408 -36.91502 21.01417 1.000 21.75307 ? 28 TRP X HD1 1 ATOM 2230 H HE1 . TRP B 2 49 ? -21.60076 -38.81297 19.54251 1.000 23.52580 ? 28 TRP X HE1 1 ATOM 2231 H HE3 . TRP B 2 49 ? -23.03221 -34.65658 16.96849 1.000 22.66287 ? 28 TRP X HE3 1 ATOM 2232 H HZ2 . TRP B 2 49 ? -22.38814 -39.29780 16.92658 1.000 22.49464 ? 28 TRP X HZ2 1 ATOM 2233 H HZ3 . TRP B 2 49 ? -23.41047 -35.89819 15.06053 1.000 22.20262 ? 28 TRP X HZ3 1 ATOM 2234 H HH2 . TRP B 2 49 ? -23.09934 -38.17927 15.03893 1.000 21.34823 ? 28 TRP X HH2 1 ATOM 2235 N N . CYS B 2 50 ? -19.44880 -34.09676 21.58505 1.000 16.90689 ? 29 CYS X N 1 ATOM 2236 C CA . CYS B 2 50 ? -18.38309 -34.78301 22.28501 1.000 18.13366 ? 29 CYS X CA 1 ATOM 2237 C C . CYS B 2 50 ? -18.85382 -36.15962 22.74218 1.000 18.41628 ? 29 CYS X C 1 ATOM 2238 O O . CYS B 2 50 ? -20.00558 -36.33306 23.17600 1.000 19.78907 ? 29 CYS X O 1 ATOM 2239 C CB . CYS B 2 50 ? -17.93429 -33.98759 23.53112 1.000 20.00684 ? 29 CYS X CB 1 ATOM 2240 S SG . CYS B 2 50 ? -16.70918 -32.70696 23.25168 1.000 21.65162 ? 29 CYS X SG 1 ATOM 2241 H H . CYS B 2 50 ? -19.94140 -33.60085 22.08607 1.000 20.28503 ? 29 CYS X H 1 ATOM 2242 H HA . CYS B 2 50 ? -17.62987 -34.87866 21.68134 1.000 21.75716 ? 29 CYS X HA 1 ATOM 2243 H HB2 . CYS B 2 50 ? -18.71545 -33.55776 23.91314 1.000 24.00498 ? 29 CYS X HB2 1 ATOM 2244 H HB3 . CYS B 2 50 ? -17.55459 -34.61259 24.16838 1.000 24.00498 ? 29 CYS X HB3 1 ATOM 2245 N N . ASP B 2 51 ? -17.95355 -37.13604 22.66560 1.000 19.02016 ? 30 ASP X N 1 ATOM 2246 C CA . ASP B 2 51 ? -18.09869 -38.35880 23.43624 1.000 20.34472 ? 30 ASP X CA 1 ATOM 2247 C C . ASP B 2 51 ? -16.97925 -38.37722 24.48444 1.000 20.96864 ? 30 ASP X C 1 ATOM 2248 O O . ASP B 2 51 ? -16.27676 -37.37357 24.69134 1.000 20.34842 ? 30 ASP X O 1 ATOM 2249 C CB . ASP B 2 51 ? -18.19988 -39.62225 22.58261 1.000 20.05755 ? 30 ASP X CB 1 ATOM 2250 C CG . ASP B 2 51 ? -16.87174 -40.10859 22.02682 1.000 18.93086 ? 30 ASP X CG 1 ATOM 2251 O OD1 . ASP B 2 51 ? -15.82715 -39.47806 22.25278 1.000 18.44463 ? 30 ASP X OD1 1 ATOM 2252 O OD2 . ASP B 2 51 ? -16.90560 -41.16112 21.35180 1.000 20.55929 -1 30 ASP X OD2 1 ATOM 2253 H H . ASP B 2 51 ? -17.25007 -37.10894 22.17166 1.000 22.82096 ? 30 ASP X H 1 ATOM 2254 H HA . ASP B 2 51 ? -18.95843 -38.34385 23.88514 1.000 24.41043 ? 30 ASP X HA 1 ATOM 2255 H HB2 . ASP B 2 51 ? -18.56922 -40.33543 23.12654 1.000 24.06583 ? 30 ASP X HB2 1 ATOM 2256 H HB3 . ASP B 2 51 ? -18.78470 -39.44217 21.82997 1.000 24.06583 ? 30 ASP X HB3 1 ATOM 2257 N N . ALA B 2 52 ? -16.82990 -39.50933 25.16315 1.000 22.79416 ? 31 ALA X N 1 ATOM 2258 C CA . ALA B 2 52 ? -15.88572 -39.58662 26.26554 1.000 27.16481 ? 31 ALA X CA 1 ATOM 2259 C C . ALA B 2 52 ? -14.43871 -39.40335 25.81471 1.000 26.26587 ? 31 ALA X C 1 ATOM 2260 O O . ALA B 2 52 ? -13.57776 -39.09140 26.64627 1.000 30.19208 ? 31 ALA X O 1 ATOM 2261 C CB . ALA B 2 52 ? -16.04625 -40.93281 26.97572 1.000 27.77386 ? 31 ALA X CB 1 ATOM 2262 H H . ALA B 2 52 ? -17.25897 -40.23792 25.00612 1.000 27.34976 ? 31 ALA X H 1 ATOM 2263 H HA . ALA B 2 52 ? -16.08221 -38.87732 26.89736 1.000 32.59455 ? 31 ALA X HA 1 ATOM 2264 H HB1 . ALA B 2 52 ? -15.41264 -40.98076 27.70861 1.000 33.32540 ? 31 ALA X HB1 1 ATOM 2265 H HB2 . ALA B 2 52 ? -16.95176 -41.00430 27.31609 1.000 33.32540 ? 31 ALA X HB2 1 ATOM 2266 H HB3 . ALA B 2 52 ? -15.87374 -41.64669 26.34207 1.000 33.32540 ? 31 ALA X HB3 1 ATOM 2267 N N . PHE B 2 53 ? -14.14691 -39.57437 24.52700 1.000 22.47976 ? 32 PHE X N 1 ATOM 2268 C CA . PHE B 2 53 ? -12.80484 -39.37513 24.00035 1.000 20.36666 ? 32 PHE X CA 1 ATOM 2269 C C . PHE B 2 53 ? -12.62345 -37.98807 23.39613 1.000 19.99876 ? 32 PHE X C 1 ATOM 2270 O O . PHE B 2 53 ? -11.65214 -37.75759 22.68384 1.000 20.91212 ? 32 PHE X O 1 ATOM 2271 C CB . PHE B 2 53 ? -12.49233 -40.47290 22.97663 1.000 19.66948 ? 32 PHE X CB 1 ATOM 2272 C CG . PHE B 2 53 ? -12.24523 -41.81679 23.59499 1.000 20.13354 ? 32 PHE X CG 1 ATOM 2273 C CD1 . PHE B 2 53 ? -11.06631 -42.08768 24.27403 1.000 22.66669 ? 32 PHE X CD1 1 ATOM 2274 C CD2 . PHE B 2 53 ? -13.20115 -42.82386 23.52532 1.000 21.24993 ? 32 PHE X CD2 1 ATOM 2275 C CE1 . PHE B 2 53 ? -10.85509 -43.30080 24.83385 1.000 23.29057 ? 32 PHE X CE1 1 ATOM 2276 C CE2 . PHE B 2 53 ? -12.97470 -44.05650 24.09485 1.000 23.01151 ? 32 PHE X CE2 1 ATOM 2277 C CZ . PHE B 2 53 ? -11.79277 -44.29201 24.76228 1.000 24.41613 ? 32 PHE X CZ 1 ATOM 2278 H H . PHE B 2 53 ? -14.72103 -39.80957 23.93145 1.000 26.97248 ? 32 PHE X H 1 ATOM 2279 H HA . PHE B 2 53 ? -12.15691 -39.45589 24.71768 1.000 24.43676 ? 32 PHE X HA 1 ATOM 2280 H HB2 . PHE B 2 53 ? -13.24496 -40.55876 22.37076 1.000 23.60015 ? 32 PHE X HB2 1 ATOM 2281 H HB3 . PHE B 2 53 ? -11.69587 -40.22234 22.48289 1.000 23.60015 ? 32 PHE X HB3 1 ATOM 2282 H HD1 . PHE B 2 53 ? -10.41433 -41.42830 24.34512 1.000 27.19680 ? 32 PHE X HD1 1 ATOM 2283 H HD2 . PHE B 2 53 ? -14.00557 -42.66238 23.08745 1.000 25.49669 ? 32 PHE X HD2 1 ATOM 2284 H HE1 . PHE B 2 53 ? -10.05399 -43.46378 25.27723 1.000 27.94546 ? 32 PHE X HE1 1 ATOM 2285 H HE2 . PHE B 2 53 ? -13.61616 -44.72667 24.02939 1.000 27.61059 ? 32 PHE X HE2 1 ATOM 2286 H HZ . PHE B 2 53 ? -11.63467 -45.11757 25.16022 1.000 29.29612 ? 32 PHE X HZ 1 ATOM 2287 N N . CYS B 2 54 ? -13.54086 -37.05699 23.66566 1.000 19.58081 ? 33 CYS X N 1 ATOM 2288 C CA . CYS B 2 54 ? -13.42582 -35.72649 23.08371 1.000 20.29187 ? 33 CYS X CA 1 ATOM 2289 C C . CYS B 2 54 ? -12.08648 -35.09300 23.38673 1.000 21.67463 ? 33 CYS X C 1 ATOM 2290 O O . CYS B 2 54 ? -11.52576 -34.39337 22.53621 1.000 21.02642 ? 33 CYS X O 1 ATOM 2291 C CB . CYS B 2 54 ? -14.54586 -34.81422 23.57132 1.000 21.16888 ? 33 CYS X CB 1 ATOM 2292 S SG . CYS B 2 54 ? -15.14412 -33.69486 22.29501 1.000 19.82884 ? 33 CYS X SG 1 ATOM 2293 H H . CYS B 2 54 ? -14.22573 -37.17074 24.17322 1.000 23.49374 ? 33 CYS X H 1 ATOM 2294 H HA . CYS B 2 54 ? -13.51299 -35.82270 22.12244 1.000 24.34701 ? 33 CYS X HA 1 ATOM 2295 H HB2 . CYS B 2 54 ? -15.29180 -35.36050 23.86463 1.000 25.39942 ? 33 CYS X HB2 1 ATOM 2296 H HB3 . CYS B 2 54 ? -14.21657 -34.27830 24.30974 1.000 25.39942 ? 33 CYS X HB3 1 ATOM 2297 N N . SER B 2 55 ? -11.56651 -35.31296 24.60102 1.000 23.26002 ? 34 SER X N 1 ATOM 2298 C CA . SER B 2 55 ? -10.33701 -34.64813 24.99272 1.000 24.27556 ? 34 SER X CA 1 ATOM 2299 C C . SER B 2 55 ? -9.11215 -35.14417 24.23726 1.000 24.53488 ? 34 SER X C 1 ATOM 2300 O O . SER B 2 55 ? -8.04417 -34.51716 24.34858 1.000 28.24395 ? 34 SER X O 1 ATOM 2301 C CB . SER B 2 55 ? -10.10225 -34.81377 26.50166 1.000 27.17895 ? 34 SER X CB 1 ATOM 2302 O OG . SER B 2 55 ? -10.07625 -36.18048 26.86541 1.000 30.11309 ? 34 SER X OG 1 ATOM 2303 H H . SER B 2 55 ? -11.90516 -35.83241 25.19691 1.000 27.90879 ? 34 SER X H 1 ATOM 2304 H HA . SER B 2 55 ? -10.43766 -33.70265 24.80079 1.000 29.12745 ? 34 SER X HA 1 ATOM 2305 H HB2 . SER B 2 55 ? -9.25152 -34.40988 26.73413 1.000 32.61152 ? 34 SER X HB2 1 ATOM 2306 H HB3 . SER B 2 55 ? -10.82077 -34.37370 26.98224 1.000 32.61152 ? 34 SER X HB3 1 ATOM 2307 H HG . SER B 2 55 ? -10.17398 -36.25862 27.69604 1.000 36.13247 ? 34 SER X HG 1 ATOM 2308 N N . SER B 2 56 ? -9.22960 -36.24246 23.49184 1.000 21.17839 ? 35 SER X N 1 ATOM 2309 C CA A SER B 2 56 ? -8.11504 -36.78019 22.72142 0.666 20.73243 ? 35 SER X CA 1 ATOM 2310 C CA B SER B 2 56 ? -8.11826 -36.79067 22.72282 0.334 21.16091 ? 35 SER X CA 1 ATOM 2311 C C . SER B 2 56 ? -8.41664 -36.81577 21.22740 1.000 20.65806 ? 35 SER X C 1 ATOM 2312 O O . SER B 2 56 ? -7.64490 -36.27239 20.43728 1.000 20.57908 ? 35 SER X O 1 ATOM 2313 C CB A SER B 2 56 ? -7.74717 -38.18118 23.21560 0.666 21.56163 ? 35 SER X CB 1 ATOM 2314 C CB B SER B 2 56 ? -7.77855 -38.20689 23.21924 0.334 21.77014 ? 35 SER X CB 1 ATOM 2315 O OG A SER B 2 56 ? -8.85435 -39.05567 23.15431 0.666 21.41556 ? 35 SER X OG 1 ATOM 2316 O OG B SER B 2 56 ? -7.38756 -38.20160 24.58627 0.334 21.87859 ? 35 SER X OG 1 ATOM 2317 H H A SER B 2 56 ? -9.95518 -36.69799 23.41680 0.666 25.41084 ? 35 SER X H 1 ATOM 2318 H H B SER B 2 56 ? -9.95712 -36.69465 23.41535 0.334 25.41084 ? 35 SER X H 1 ATOM 2319 H HA A SER B 2 56 ? -7.34091 -36.21237 22.85994 0.666 24.87569 ? 35 SER X HA 1 ATOM 2320 H HA B SER B 2 56 ? -7.33466 -36.23628 22.86254 0.334 25.38987 ? 35 SER X HA 1 ATOM 2321 H HB2 A SER B 2 56 ? -7.03718 -38.53443 22.65700 0.666 25.87072 ? 35 SER X HB2 1 ATOM 2322 H HB2 B SER B 2 56 ? -8.56243 -38.76958 23.12019 0.334 26.12094 ? 35 SER X HB2 1 ATOM 2323 H HB3 A SER B 2 56 ? -7.44618 -38.12023 24.13571 0.666 25.87072 ? 35 SER X HB3 1 ATOM 2324 H HB3 B SER B 2 56 ? -7.04830 -38.55847 22.68630 0.334 26.12094 ? 35 SER X HB3 1 ATOM 2325 H HG A SER B 2 56 ? -9.46715 -38.77906 23.65786 0.666 25.69544 ? 35 SER X HG 1 ATOM 2326 H HG B SER B 2 56 ? -7.27487 -38.98913 24.85590 0.334 26.25108 ? 35 SER X HG 1 ATOM 2327 N N . ARG B 2 57 ? -9.53818 -37.40546 20.83185 1.000 18.25080 ? 36 ARG X N 1 ATOM 2328 C CA . ARG B 2 57 ? -9.93038 -37.51731 19.43366 1.000 16.62040 ? 36 ARG X CA 1 ATOM 2329 C C . ARG B 2 57 ? -10.74392 -36.32845 18.93343 1.000 17.93011 ? 36 ARG X C 1 ATOM 2330 O O . ARG B 2 57 ? -11.10142 -36.30380 17.74638 1.000 17.36075 ? 36 ARG X O 1 ATOM 2331 C CB . ARG B 2 57 ? -10.72996 -38.81486 19.23754 1.000 15.22843 ? 36 ARG X CB 1 ATOM 2332 C CG . ARG B 2 57 ? -9.91551 -40.11958 19.27987 1.000 16.06682 ? 36 ARG X CG 1 ATOM 2333 C CD . ARG B 2 57 ? -9.15685 -40.31796 17.96874 1.000 16.53536 ? 36 ARG X CD 1 ATOM 2334 N NE . ARG B 2 57 ? -8.27374 -41.47684 17.97114 1.000 16.28282 ? 36 ARG X NE 1 ATOM 2335 C CZ . ARG B 2 57 ? -8.64319 -42.71354 17.67595 1.000 15.44026 ? 36 ARG X CZ 1 ATOM 2336 N NH1 . ARG B 2 57 ? -9.89581 -43.01580 17.34808 1.000 15.26737 ? 36 ARG X NH1 1 ATOM 2337 N NH2 . ARG B 2 57 ? -7.73615 -43.67548 17.69527 1.000 15.20382 ? 36 ARG X NH2 1 ATOM 2338 H H . ARG B 2 57 ? -10.10621 -37.75957 21.37180 1.000 21.89772 ? 36 ARG X H 1 ATOM 2339 H HA . ARG B 2 57 ? -9.13086 -37.56055 18.88612 1.000 19.94126 ? 36 ARG X HA 1 ATOM 2340 H HB2 . ARG B 2 57 ? -11.39633 -38.86974 19.94027 1.000 18.27088 ? 36 ARG X HB2 1 ATOM 2341 H HB3 . ARG B 2 57 ? -11.16408 -38.77567 18.37100 1.000 18.27088 ? 36 ARG X HB3 1 ATOM 2342 H HG2 . ARG B 2 57 ? -9.27328 -40.07877 20.00566 1.000 19.27695 ? 36 ARG X HG2 1 ATOM 2343 H HG3 . ARG B 2 57 ? -10.51361 -40.87240 19.40805 1.000 19.27695 ? 36 ARG X HG3 1 ATOM 2344 H HD2 . ARG B 2 57 ? -9.79872 -40.43708 17.25131 1.000 19.83920 ? 36 ARG X HD2 1 ATOM 2345 H HD3 . ARG B 2 57 ? -8.61315 -39.53249 17.80044 1.000 19.83920 ? 36 ARG X HD3 1 ATOM 2346 H HE . ARG B 2 57 ? -7.44960 -41.34774 18.18026 1.000 19.53615 ? 36 ARG X HE 1 ATOM 2347 H HH11 . ARG B 2 57 ? -10.49454 -42.39896 17.32304 1.000 18.31761 ? 36 ARG X HH11 1 ATOM 2348 H HH12 . ARG B 2 57 ? -10.10727 -43.82815 17.16104 1.000 18.31761 ? 36 ARG X HH12 1 ATOM 2349 H HH21 . ARG B 2 57 ? -6.92036 -43.49327 17.89744 1.000 18.24136 ? 36 ARG X HH21 1 ATOM 2350 H HH22 . ARG B 2 57 ? -7.96202 -44.48334 17.50566 1.000 18.24136 ? 36 ARG X HH22 1 ATOM 2351 N N . GLY B 2 58 ? -11.06989 -35.35808 19.79086 1.000 17.88576 ? 37 GLY X N 1 ATOM 2352 C CA . GLY B 2 58 ? -11.91236 -34.24245 19.37967 1.000 18.46935 ? 37 GLY X CA 1 ATOM 2353 C C . GLY B 2 58 ? -13.35521 -34.68874 19.21890 1.000 16.35718 ? 37 GLY X C 1 ATOM 2354 O O . GLY B 2 58 ? -13.73011 -35.79753 19.54450 1.000 16.39333 ? 37 GLY X O 1 ATOM 2355 H H . GLY B 2 58 ? -10.81553 -35.32567 20.61174 1.000 21.45968 ? 37 GLY X H 1 ATOM 2356 H HA2 . GLY B 2 58 ? -11.87489 -33.54020 20.04775 1.000 22.15999 ? 37 GLY X HA2 1 ATOM 2357 H HA3 . GLY B 2 58 ? -11.59800 -33.88956 18.53259 1.000 22.15999 ? 37 GLY X HA3 1 ATOM 2358 N N . LYS B 2 59 ? -14.16835 -33.77482 18.71155 1.000 16.82736 ? 38 LYS X N 1 ATOM 2359 C CA . LYS B 2 59 ? -15.58709 -34.06235 18.58313 1.000 16.92820 ? 38 LYS X CA 1 ATOM 2360 C C . LYS B 2 59 ? -15.86957 -35.13227 17.54469 1.000 15.57643 ? 38 LYS X C 1 ATOM 2361 O O . LYS B 2 59 ? -15.13645 -35.30165 16.56223 1.000 16.41659 ? 38 LYS X O 1 ATOM 2362 C CB . LYS B 2 59 ? -16.35207 -32.81060 18.21187 1.000 19.47837 ? 38 LYS X CB 1 ATOM 2363 C CG . LYS B 2 59 ? -16.36511 -31.82015 19.35727 1.000 22.94347 ? 38 LYS X CG 1 ATOM 2364 C CD . LYS B 2 59 ? -17.43487 -30.80628 19.21968 1.000 26.48728 ? 38 LYS X CD 1 ATOM 2365 C CE . LYS B 2 59 ? -17.43802 -29.90119 20.44888 1.000 30.80731 ? 38 LYS X CE 1 ATOM 2366 N NZ . LYS B 2 59 ? -18.50958 -28.88900 20.36329 1.000 37.16410 ? 38 LYS X NZ 1 ATOM 2367 H H . LYS B 2 59 ? -13.92836 -32.99514 18.43933 1.000 20.18960 ? 38 LYS X H 1 ATOM 2368 H HA . LYS B 2 59 ? -15.89955 -34.39011 19.44094 1.000 20.31061 ? 38 LYS X HA 1 ATOM 2369 H HB2 . LYS B 2 59 ? -15.92964 -32.39007 17.44662 1.000 23.37081 ? 38 LYS X HB2 1 ATOM 2370 H HB3 . LYS B 2 59 ? -17.26864 -33.04494 17.99766 1.000 23.37081 ? 38 LYS X HB3 1 ATOM 2371 H HG2 . LYS B 2 59 ? -16.50985 -32.29849 20.18862 1.000 27.52893 ? 38 LYS X HG2 1 ATOM 2372 H HG3 . LYS B 2 59 ? -15.51362 -31.35637 19.38528 1.000 27.52893 ? 38 LYS X HG3 1 ATOM 2373 H HD2 . LYS B 2 59 ? -17.27498 -30.26400 18.43148 1.000 31.78151 ? 38 LYS X HD2 1 ATOM 2374 H HD3 . LYS B 2 59 ? -18.29728 -31.24498 19.15118 1.000 31.78151 ? 38 LYS X HD3 1 ATOM 2375 H HE2 . LYS B 2 59 ? -17.58579 -30.43736 21.24360 1.000 36.96555 ? 38 LYS X HE2 1 ATOM 2376 H HE3 . LYS B 2 59 ? -16.58642 -29.44118 20.51265 1.000 36.96555 ? 38 LYS X HE3 1 ATOM 2377 H HZ1 . LYS B 2 59 ? -18.47208 -28.34574 21.06726 1.000 44.59369 ? 38 LYS X HZ1 1 ATOM 2378 H HZ2 . LYS B 2 59 ? -18.41449 -28.40705 19.62114 1.000 44.59369 ? 38 LYS X HZ2 1 ATOM 2379 H HZ3 . LYS B 2 59 ? -19.30490 -29.28818 20.34854 1.000 44.59369 ? 38 LYS X HZ3 1 ATOM 2380 N N . VAL B 2 60 ? -16.95403 -35.86167 17.78129 1.000 14.29061 ? 39 VAL X N 1 ATOM 2381 C CA . VAL B 2 60 ? -17.53025 -36.70061 16.75270 1.000 15.56667 ? 39 VAL X CA 1 ATOM 2382 C C . VAL B 2 60 ? -18.23505 -35.79577 15.75522 1.000 16.10881 ? 39 VAL X C 1 ATOM 2383 O O . VAL B 2 60 ? -18.92238 -34.84362 16.14273 1.000 15.67197 ? 39 VAL X O 1 ATOM 2384 C CB . VAL B 2 60 ? -18.52474 -37.67298 17.39599 1.000 16.47936 ? 39 VAL X CB 1 ATOM 2385 C CG1 . VAL B 2 60 ? -19.08507 -38.62290 16.32645 1.000 16.26268 ? 39 VAL X CG1 1 ATOM 2386 C CG2 . VAL B 2 60 ? -17.85192 -38.44630 18.53164 1.000 19.20128 ? 39 VAL X CG2 1 ATOM 2387 H H . VAL B 2 60 ? -17.37259 -35.88525 18.53220 1.000 17.14550 ? 39 VAL X H 1 ATOM 2388 H HA . VAL B 2 60 ? -16.84238 -37.21181 16.29837 1.000 18.67677 ? 39 VAL X HA 1 ATOM 2389 H HB . VAL B 2 60 ? -19.26645 -37.17921 17.77934 1.000 19.77200 ? 39 VAL X HB 1 ATOM 2390 H HG11 . VAL B 2 60 ? -19.55008 -39.35273 16.76465 1.000 19.51199 ? 39 VAL X HG11 1 ATOM 2391 H HG12 . VAL B 2 60 ? -19.70000 -38.13211 15.75910 1.000 19.51199 ? 39 VAL X HG12 1 ATOM 2392 H HG13 . VAL B 2 60 ? -18.35068 -38.96965 15.79605 1.000 19.51199 ? 39 VAL X HG13 1 ATOM 2393 H HG21 . VAL B 2 60 ? -18.42896 -39.17816 18.80056 1.000 23.03831 ? 39 VAL X HG21 1 ATOM 2394 H HG22 . VAL B 2 60 ? -17.00231 -38.79322 18.21747 1.000 23.03831 ? 39 VAL X HG22 1 ATOM 2395 H HG23 . VAL B 2 60 ? -17.70783 -37.84644 19.28017 1.000 23.03831 ? 39 VAL X HG23 1 ATOM 2396 N N . VAL B 2 61 ? -18.05054 -36.07093 14.46578 1.000 15.45150 ? 40 VAL X N 1 ATOM 2397 C CA . VAL B 2 61 ? -18.63042 -35.26389 13.39736 1.000 16.01715 ? 40 VAL X CA 1 ATOM 2398 C C . VAL B 2 61 ? -19.39345 -36.14796 12.42779 1.000 14.94878 ? 40 VAL X C 1 ATOM 2399 O O . VAL B 2 61 ? -18.89717 -37.18914 11.97890 1.000 14.47163 ? 40 VAL X O 1 ATOM 2400 C CB . VAL B 2 61 ? -17.55900 -34.42596 12.67854 1.000 18.89064 ? 40 VAL X CB 1 ATOM 2401 C CG1 . VAL B 2 61 ? -16.46274 -35.28467 12.09682 1.000 21.72907 ? 40 VAL X CG1 1 ATOM 2402 C CG2 . VAL B 2 61 ? -18.16915 -33.54826 11.61375 1.000 19.73280 ? 40 VAL X CG2 1 ATOM 2403 H H . VAL B 2 61 ? -17.58328 -36.73415 14.18046 1.000 18.53857 ? 40 VAL X H 1 ATOM 2404 H HA . VAL B 2 61 ? -19.28427 -34.66053 13.78380 1.000 19.21735 ? 40 VAL X HA 1 ATOM 2405 H HB . VAL B 2 61 ? -17.15184 -33.85079 13.34509 1.000 22.66553 ? 40 VAL X HB 1 ATOM 2406 H HG11 . VAL B 2 61 ? -15.87377 -34.72723 11.56459 1.000 26.07166 ? 40 VAL X HG11 1 ATOM 2407 H HG12 . VAL B 2 61 ? -15.96478 -35.69472 12.82125 1.000 26.07166 ? 40 VAL X HG12 1 ATOM 2408 H HG13 . VAL B 2 61 ? -16.86148 -35.97114 11.53944 1.000 26.07166 ? 40 VAL X HG13 1 ATOM 2409 H HG21 . VAL B 2 61 ? -17.49878 -32.92222 11.29818 1.000 23.67613 ? 40 VAL X HG21 1 ATOM 2410 H HG22 . VAL B 2 61 ? -18.47226 -34.10595 10.88026 1.000 23.67613 ? 40 VAL X HG22 1 ATOM 2411 H HG23 . VAL B 2 61 ? -18.91953 -33.06548 11.99421 1.000 23.67613 ? 40 VAL X HG23 1 ATOM 2412 N N . GLU B 2 62 ? -20.62587 -35.75253 12.16465 1.000 14.73733 ? 41 GLU X N 1 ATOM 2413 C CA . GLU B 2 62 ? -21.48367 -36.38924 11.18057 1.000 15.14552 ? 41 GLU X CA 1 ATOM 2414 C C . GLU B 2 62 ? -21.69474 -35.40538 10.04310 1.000 13.91075 ? 41 GLU X C 1 ATOM 2415 O O . GLU B 2 62 ? -22.05771 -34.24584 10.26738 1.000 15.33233 ? 41 GLU X O 1 ATOM 2416 C CB . GLU B 2 62 ? -22.83181 -36.76153 11.81543 1.000 16.62029 ? 41 GLU X CB 1 ATOM 2417 C CG . GLU B 2 62 ? -23.73452 -37.58565 10.96992 1.000 18.55762 ? 41 GLU X CG 1 ATOM 2418 C CD . GLU B 2 62 ? -25.06517 -37.81180 11.65853 1.000 22.71145 ? 41 GLU X CD 1 ATOM 2419 O OE1 . GLU B 2 62 ? -25.09648 -38.50602 12.69273 1.000 25.51518 ? 41 GLU X OE1 1 ATOM 2420 O OE2 . GLU B 2 62 ? -26.07682 -37.26755 11.18168 1.000 24.54306 -1 41 GLU X OE2 1 ATOM 2421 H H . GLU B 2 62 ? -21.00442 -35.08910 12.55982 1.000 17.68157 ? 41 GLU X H 1 ATOM 2422 H HA . GLU B 2 62 ? -21.07530 -37.19752 10.83299 1.000 18.17139 ? 41 GLU X HA 1 ATOM 2423 H HB2 . GLU B 2 62 ? -22.65797 -37.26438 12.62649 1.000 19.94111 ? 41 GLU X HB2 1 ATOM 2424 H HB3 . GLU B 2 62 ? -23.30492 -35.94191 12.02821 1.000 19.94111 ? 41 GLU X HB3 1 ATOM 2425 H HG2 . GLU B 2 62 ? -23.89672 -37.12862 10.12985 1.000 22.26591 ? 41 GLU X HG2 1 ATOM 2426 H HG3 . GLU B 2 62 ? -23.32342 -38.44846 10.80421 1.000 22.26591 ? 41 GLU X HG3 1 ATOM 2427 N N . LEU B 2 63 ? -21.45554 -35.86223 8.82909 1.000 14.16416 ? 42 LEU X N 1 ATOM 2428 C CA . LEU B 2 63 ? -21.58096 -35.04099 7.63363 1.000 15.40984 ? 42 LEU X CA 1 ATOM 2429 C C . LEU B 2 63 ? -22.56185 -35.70720 6.67846 1.000 14.23484 ? 42 LEU X C 1 ATOM 2430 O O . LEU B 2 63 ? -22.55575 -36.93751 6.52670 1.000 14.98233 ? 42 LEU X O 1 ATOM 2431 C CB . LEU B 2 63 ? -20.21514 -34.92501 6.91878 1.000 16.30788 ? 42 LEU X CB 1 ATOM 2432 C CG . LEU B 2 63 ? -19.05536 -34.39896 7.76808 1.000 14.53643 ? 42 LEU X CG 1 ATOM 2433 C CD1 . LEU B 2 63 ? -17.77483 -34.56551 6.91159 1.000 15.97959 ? 42 LEU X CD1 1 ATOM 2434 C CD2 . LEU B 2 63 ? -19.29686 -32.98364 8.14030 1.000 14.40410 ? 42 LEU X CD2 1 ATOM 2435 H H . LEU B 2 63 ? -21.21122 -36.66998 8.66342 1.000 16.99376 ? 42 LEU X H 1 ATOM 2436 H HA . LEU B 2 63 ? -21.90359 -34.15725 7.86989 1.000 18.48858 ? 42 LEU X HA 1 ATOM 2437 H HB2 . LEU B 2 63 ? -19.96310 -35.80700 6.60340 1.000 19.56623 ? 42 LEU X HB2 1 ATOM 2438 H HB3 . LEU B 2 63 ? -20.31771 -34.32065 6.16702 1.000 19.56623 ? 42 LEU X HB3 1 ATOM 2439 H HG . LEU B 2 63 ? -18.95678 -34.88271 8.60305 1.000 17.44049 ? 42 LEU X HG 1 ATOM 2440 H HD11 . LEU B 2 63 ? -17.02215 -34.18643 7.39186 1.000 19.17227 ? 42 LEU X HD11 1 ATOM 2441 H HD12 . LEU B 2 63 ? -17.62296 -35.50999 6.75098 1.000 19.17227 ? 42 LEU X HD12 1 ATOM 2442 H HD13 . LEU B 2 63 ? -17.89647 -34.10195 6.06825 1.000 19.17227 ? 42 LEU X HD13 1 ATOM 2443 H HD21 . LEU B 2 63 ? -18.47824 -32.60757 8.49992 1.000 17.28169 ? 42 LEU X HD21 1 ATOM 2444 H HD22 . LEU B 2 63 ? -19.56786 -32.49104 7.34985 1.000 17.28169 ? 42 LEU X HD22 1 ATOM 2445 H HD23 . LEU B 2 63 ? -19.99875 -32.94828 8.80888 1.000 17.28169 ? 42 LEU X HD23 1 ATOM 2446 N N . GLY B 2 64 ? -23.41241 -34.90909 6.05700 1.000 16.92187 ? 43 GLY X N 1 ATOM 2447 C CA . GLY B 2 64 ? -24.29574 -35.45767 5.05763 1.000 19.00301 ? 43 GLY X CA 1 ATOM 2448 C C . GLY B 2 64 ? -25.15522 -34.42787 4.37109 1.000 18.36091 ? 43 GLY X C 1 ATOM 2449 O O . GLY B 2 64 ? -24.82163 -33.24266 4.31769 1.000 18.06230 ? 43 GLY X O 1 ATOM 2450 H H . GLY B 2 64 ? -23.49362 -34.06417 6.19521 1.000 20.30301 ? 43 GLY X H 1 ATOM 2451 H HA2 . GLY B 2 64 ? -23.76569 -35.90480 4.37938 1.000 22.80039 ? 43 GLY X HA2 1 ATOM 2452 H HA3 . GLY B 2 64 ? -24.88317 -36.10553 5.47729 1.000 22.80039 ? 43 GLY X HA3 1 ATOM 2453 N N . CYS B 2 65 ? -26.28143 -34.92615 3.85621 1.000 20.25340 ? 44 CYS X N 1 ATOM 2454 C CA . CYS B 2 65 ? -27.26062 -34.15958 3.09989 1.000 22.37097 ? 44 CYS X CA 1 ATOM 2455 C C . CYS B 2 65 ? -28.52789 -33.97186 3.91951 1.000 22.70431 ? 44 CYS X C 1 ATOM 2456 O O . CYS B 2 65 ? -28.86573 -34.82587 4.74453 1.000 23.31717 ? 44 CYS X O 1 ATOM 2457 C CB . CYS B 2 65 ? -27.70100 -34.93661 1.84663 1.000 23.62924 ? 44 CYS X CB 1 ATOM 2458 S SG . CYS B 2 65 ? -26.38505 -35.34298 0.67519 1.000 26.71508 ? 44 CYS X SG 1 ATOM 2459 H H . CYS B 2 65 ? -26.50837 -35.75154 3.93895 1.000 24.30084 ? 44 CYS X H 1 ATOM 2460 H HA . CYS B 2 65 ? -26.86536 -33.30428 2.86941 1.000 26.84193 ? 44 CYS X HA 1 ATOM 2461 H HB2 . CYS B 2 65 ? -28.10109 -35.77290 2.13201 1.000 28.35186 ? 44 CYS X HB2 1 ATOM 2462 H HB3 . CYS B 2 65 ? -28.35512 -34.40123 1.37082 1.000 28.35186 ? 44 CYS X HB3 1 ATOM 2463 N N . ALA B 2 66 ? -29.26378 -32.88600 3.63873 1.000 24.06842 ? 45 ALA X N 1 ATOM 2464 C CA . ALA B 2 66 ? -30.52212 -32.63175 4.32860 1.000 24.51603 ? 45 ALA X CA 1 ATOM 2465 C C . ALA B 2 66 ? -31.43222 -31.74637 3.48916 1.000 25.91803 ? 45 ALA X C 1 ATOM 2466 O O . ALA B 2 66 ? -30.96762 -30.91810 2.70537 1.000 27.85735 ? 45 ALA X O 1 ATOM 2467 C CB . ALA B 2 66 ? -30.28444 -31.97286 5.69879 1.000 26.10624 ? 45 ALA X CB 1 ATOM 2468 H H . ALA B 2 66 ? -29.05160 -32.29012 3.05606 1.000 28.87887 ? 45 ALA X H 1 ATOM 2469 H HA . ALA B 2 66 ? -30.97393 -33.48182 4.44757 1.000 29.41601 ? 45 ALA X HA 1 ATOM 2470 H HB1 . ALA B 2 66 ? -31.14104 -31.81032 6.12389 1.000 31.32426 ? 45 ALA X HB1 1 ATOM 2471 H HB2 . ALA B 2 66 ? -29.75068 -32.56871 6.24740 1.000 31.32426 ? 45 ALA X HB2 1 ATOM 2472 H HB3 . ALA B 2 66 ? -29.81527 -31.13391 5.56865 1.000 31.32426 ? 45 ALA X HB3 1 ATOM 2473 N N . ALA B 2 67 ? -32.74340 -31.91506 3.69792 1.000 26.83381 ? 46 ALA X N 1 ATOM 2474 C CA . ALA B 2 67 ? -33.72466 -31.00016 3.12165 1.000 29.09056 ? 46 ALA X CA 1 ATOM 2475 C C . ALA B 2 67 ? -33.84140 -29.72917 3.95877 1.000 31.78247 ? 46 ALA X C 1 ATOM 2476 O O . ALA B 2 67 ? -33.86871 -28.61189 3.42294 1.000 34.44313 ? 46 ALA X O 1 ATOM 2477 C CB . ALA B 2 67 ? -35.08756 -31.68643 3.04182 1.000 31.59277 ? 46 ALA X CB 1 ATOM 2478 H H . ALA B 2 67 ? -33.08561 -32.54908 4.16750 1.000 32.19734 ? 46 ALA X H 1 ATOM 2479 H HA . ALA B 2 67 ? -33.44253 -30.76123 2.22487 1.000 34.90545 ? 46 ALA X HA 1 ATOM 2480 H HB1 . ALA B 2 67 ? -35.73514 -31.06142 2.68002 1.000 37.90809 ? 46 ALA X HB1 1 ATOM 2481 H HB2 . ALA B 2 67 ? -35.01728 -32.46185 2.46331 1.000 37.90809 ? 46 ALA X HB2 1 ATOM 2482 H HB3 . ALA B 2 67 ? -35.35528 -31.96151 3.93264 1.000 37.90809 ? 46 ALA X HB3 1 ATOM 2483 N N . THR B 2 68 ? -33.93903 -29.88770 5.27676 1.000 31.98039 ? 47 THR X N 1 ATOM 2484 C CA . THR B 2 68 ? -33.93448 -28.77734 6.21373 1.000 31.81128 ? 47 THR X CA 1 ATOM 2485 C C . THR B 2 68 ? -32.76790 -28.98235 7.16217 1.000 30.34013 ? 47 THR X C 1 ATOM 2486 O O . THR B 2 68 ? -32.38817 -30.12146 7.44951 1.000 28.79043 ? 47 THR X O 1 ATOM 2487 C CB . THR B 2 68 ? -35.24870 -28.72261 6.99608 1.000 33.65117 ? 47 THR X CB 1 ATOM 2488 O OG1 . THR B 2 68 ? -35.41103 -29.93715 7.73823 1.000 35.95000 ? 47 THR X OG1 1 ATOM 2489 C CG2 . THR B 2 68 ? -36.42254 -28.56068 6.05090 1.000 33.87342 ? 47 THR X CG2 1 ATOM 2490 H H . THR B 2 68 ? -34.01098 -30.65430 5.65984 1.000 38.37324 ? 47 THR X H 1 ATOM 2491 H HA . THR B 2 68 ? -33.83128 -27.92809 5.75654 1.000 38.17031 ? 47 THR X HA 1 ATOM 2492 H HB . THR B 2 68 ? -35.23378 -27.96595 7.60283 1.000 40.37817 ? 47 THR X HB 1 ATOM 2493 H HG1 . THR B 2 68 ? -36.17426 -29.96010 8.08830 1.000 43.13677 ? 47 THR X HG1 1 ATOM 2494 H HG21 . THR B 2 68 ? -37.25368 -28.56117 6.55101 1.000 40.64487 ? 47 THR X HG21 1 ATOM 2495 H HG22 . THR B 2 68 ? -36.34635 -27.72302 5.56776 1.000 40.64487 ? 47 THR X HG22 1 ATOM 2496 H HG23 . THR B 2 68 ? -36.43837 -29.29152 5.41331 1.000 40.64487 ? 47 THR X HG23 1 ATOM 2497 N N . CYS B 2 69 ? -32.17954 -27.88196 7.61655 1.000 30.79045 ? 48 CYS X N 1 ATOM 2498 C CA . CYS B 2 69 ? -31.01178 -28.00270 8.47979 1.000 30.74020 ? 48 CYS X CA 1 ATOM 2499 C C . CYS B 2 69 ? -31.39940 -28.79120 9.73415 1.000 29.61738 ? 48 CYS X C 1 ATOM 2500 O O . CYS B 2 69 ? -32.38380 -28.43480 10.41315 1.000 30.12120 ? 48 CYS X O 1 ATOM 2501 C CB . CYS B 2 69 ? -30.42464 -26.64427 8.84967 1.000 31.21217 ? 48 CYS X CB 1 ATOM 2502 S SG . CYS B 2 69 ? -28.70936 -26.78425 9.45136 1.000 31.60707 ? 48 CYS X SG 1 ATOM 2503 H H . CYS B 2 69 ? -32.42907 -27.07700 7.44515 1.000 36.94531 ? 48 CYS X H 1 ATOM 2504 H HA . CYS B 2 69 ? -30.31273 -28.47854 8.00460 1.000 36.88501 ? 48 CYS X HA 1 ATOM 2505 H HB2 . CYS B 2 69 ? -30.42612 -26.07243 8.06615 1.000 37.45137 ? 48 CYS X HB2 1 ATOM 2506 H HB3 . CYS B 2 69 ? -30.96158 -26.24566 9.55232 1.000 37.45137 ? 48 CYS X HB3 1 ATOM 2507 N N . PRO B 2 70 ? -30.68685 -29.87232 10.05260 1.000 27.86470 ? 49 PRO X N 1 ATOM 2508 C CA . PRO B 2 70 ? -31.12400 -30.74408 11.14665 1.000 29.45355 ? 49 PRO X CA 1 ATOM 2509 C C . PRO B 2 70 ? -31.30988 -30.00006 12.45708 1.000 32.60345 ? 49 PRO X C 1 ATOM 2510 O O . PRO B 2 70 ? -30.54712 -29.09056 12.80354 1.000 31.10794 ? 49 PRO X O 1 ATOM 2511 C CB . PRO B 2 70 ? -29.98921 -31.76913 11.25747 1.000 29.57709 ? 49 PRO X CB 1 ATOM 2512 C CG . PRO B 2 70 ? -29.44251 -31.85945 9.86643 1.000 28.17011 ? 49 PRO X CG 1 ATOM 2513 C CD . PRO B 2 70 ? -29.52382 -30.43541 9.33956 1.000 28.87061 ? 49 PRO X CD 1 ATOM 2514 H HA . PRO B 2 70 ? -31.95793 -31.17584 10.90366 1.000 35.34103 ? 49 PRO X HA 1 ATOM 2515 H HB2 . PRO B 2 70 ? -29.31461 -31.45441 11.87938 1.000 35.48928 ? 49 PRO X HB2 1 ATOM 2516 H HB3 . PRO B 2 70 ? -30.33939 -32.62422 11.55259 1.000 35.48928 ? 49 PRO X HB3 1 ATOM 2517 H HG2 . PRO B 2 70 ? -28.52454 -32.17209 9.88829 1.000 33.80090 ? 49 PRO X HG2 1 ATOM 2518 H HG3 . PRO B 2 70 ? -29.98523 -32.46095 9.33298 1.000 33.80090 ? 49 PRO X HG3 1 ATOM 2519 H HD2 . PRO B 2 70 ? -28.71644 -29.94211 9.55332 1.000 34.64151 ? 49 PRO X HD2 1 ATOM 2520 H HD3 . PRO B 2 70 ? -29.67164 -30.43042 8.38090 1.000 34.64151 ? 49 PRO X HD3 1 ATOM 2521 N N . SER B 2 71 ? -32.31924 -30.43353 13.20544 1.000 36.47544 ? 50 SER X N 1 ATOM 2522 C CA . SER B 2 71 ? -32.50947 -29.93084 14.55162 1.000 39.93266 ? 50 SER X CA 1 ATOM 2523 C C . SER B 2 71 ? -31.39058 -30.43546 15.45423 1.000 37.38666 ? 50 SER X C 1 ATOM 2524 O O . SER B 2 71 ? -30.80140 -31.50098 15.23576 1.000 37.41046 ? 50 SER X O 1 ATOM 2525 C CB . SER B 2 71 ? -33.86404 -30.37516 15.10493 1.000 44.43229 ? 50 SER X CB 1 ATOM 2526 O OG . SER B 2 71 ? -34.08232 -31.75862 14.88428 1.000 49.77087 ? 50 SER X OG 1 ATOM 2527 H H . SER B 2 71 ? -32.90176 -31.01454 12.95505 1.000 43.76730 ? 50 SER X H 1 ATOM 2528 H HA . SER B 2 71 ? -32.49553 -28.96096 14.54545 1.000 47.91596 ? 50 SER X HA 1 ATOM 2529 H HB2 . SER B 2 71 ? -33.88525 -30.20235 16.05918 1.000 53.31552 ? 50 SER X HB2 1 ATOM 2530 H HB3 . SER B 2 71 ? -34.56466 -29.87217 14.66104 1.000 53.31552 ? 50 SER X HB3 1 ATOM 2531 H HG . SER B 2 71 ? -33.55329 -32.21145 15.35405 1.000 59.72181 ? 50 SER X HG 1 ATOM 2532 N N . LYS B 2 72 ? -31.08607 -29.64327 16.46368 1.000 35.69619 ? 51 LYS X N 1 ATOM 2533 C CA . LYS B 2 72 ? -30.00453 -29.94191 17.38794 1.000 34.31837 ? 51 LYS X CA 1 ATOM 2534 C C . LYS B 2 72 ? -30.56504 -30.10139 18.79006 1.000 30.16118 ? 51 LYS X C 1 ATOM 2535 O O . LYS B 2 72 ? -31.45885 -29.35128 19.20037 1.000 30.54099 ? 51 LYS X O 1 ATOM 2536 C CB . LYS B 2 72 ? -28.96303 -28.82998 17.37987 1.000 39.90952 ? 51 LYS X CB 1 ATOM 2537 C CG . LYS B 2 72 ? -29.44579 -27.53039 17.98986 1.000 46.09430 ? 51 LYS X CG 1 ATOM 2538 C CD . LYS B 2 72 ? -28.47719 -26.40679 17.69086 1.000 53.74867 ? 51 LYS X CD 1 ATOM 2539 C CE . LYS B 2 72 ? -28.74357 -25.20152 18.57140 1.000 61.65834 ? 51 LYS X CE 1 ATOM 2540 N NZ . LYS B 2 72 ? -27.78456 -24.09764 18.30662 1.000 71.21136 ? 51 LYS X NZ 1 ATOM 2541 H H . LYS B 2 72 ? -31.49943 -28.90998 16.63980 1.000 42.83220 ? 51 LYS X H 1 ATOM 2542 H HA . LYS B 2 72 ? -29.57460 -30.77259 17.13097 1.000 41.17882 ? 51 LYS X HA 1 ATOM 2543 H HB2 . LYS B 2 72 ? -28.18979 -29.12447 17.88611 1.000 47.88820 ? 51 LYS X HB2 1 ATOM 2544 H HB3 . LYS B 2 72 ? -28.70888 -28.64861 16.46149 1.000 47.88820 ? 51 LYS X HB3 1 ATOM 2545 H HG2 . LYS B 2 72 ? -30.31092 -27.29886 17.61726 1.000 55.30993 ? 51 LYS X HG2 1 ATOM 2546 H HG3 . LYS B 2 72 ? -29.51492 -27.62979 18.95228 1.000 55.30993 ? 51 LYS X HG3 1 ATOM 2547 H HD2 . LYS B 2 72 ? -27.57073 -26.71077 17.85467 1.000 64.49517 ? 51 LYS X HD2 1 ATOM 2548 H HD3 . LYS B 2 72 ? -28.57399 -26.13603 16.76446 1.000 64.49517 ? 51 LYS X HD3 1 ATOM 2549 H HE2 . LYS B 2 72 ? -29.63970 -24.87231 18.39974 1.000 73.98678 ? 51 LYS X HE2 1 ATOM 2550 H HE3 . LYS B 2 72 ? -28.65799 -25.46075 19.50219 1.000 73.98678 ? 51 LYS X HE3 1 ATOM 2551 H HZ1 . LYS B 2 72 ? -27.95526 -23.41028 18.84560 1.000 85.45041 ? 51 LYS X HZ1 1 ATOM 2552 H HZ2 . LYS B 2 72 ? -26.95176 -24.37704 18.44974 1.000 85.45041 ? 51 LYS X HZ2 1 ATOM 2553 H HZ3 . LYS B 2 72 ? -27.85734 -23.82726 17.46182 1.000 85.45041 ? 51 LYS X HZ3 1 ATOM 2554 N N . LYS B 2 73 ? -30.05393 -31.10651 19.48363 1.000 26.82819 ? 52 LYS X N 1 ATOM 2555 C CA . LYS B 2 73 ? -30.26055 -31.31224 20.90374 1.000 24.61377 ? 52 LYS X CA 1 ATOM 2556 C C . LYS B 2 73 ? -29.23942 -30.50642 21.68970 1.000 23.01740 ? 52 LYS X C 1 ATOM 2557 O O . LYS B 2 73 ? -28.26175 -29.99436 21.14654 1.000 22.59777 ? 52 LYS X O 1 ATOM 2558 C CB . LYS B 2 73 ? -30.10990 -32.80338 21.21914 1.000 25.47984 ? 52 LYS X CB 1 ATOM 2559 C CG . LYS B 2 73 ? -31.15612 -33.71722 20.54073 1.000 28.99682 ? 52 LYS X CG 1 ATOM 2560 C CD . LYS B 2 73 ? -30.97226 -35.19187 20.90602 1.000 31.33175 ? 52 LYS X CD 1 ATOM 2561 C CE . LYS B 2 73 ? -31.92020 -36.08737 20.10045 1.000 34.72256 ? 52 LYS X CE 1 ATOM 2562 N NZ . LYS B 2 73 ? -31.69517 -37.52872 20.42838 1.000 39.65678 ? 52 LYS X NZ 1 ATOM 2563 H H . LYS B 2 73 ? -29.55709 -31.71478 19.13325 1.000 32.19060 ? 52 LYS X H 1 ATOM 2564 H HA . LYS B 2 73 ? -31.15206 -31.02489 21.15580 1.000 29.53330 ? 52 LYS X HA 1 ATOM 2565 H HB2 . LYS B 2 73 ? -29.23299 -33.09371 20.92310 1.000 30.57258 ? 52 LYS X HB2 1 ATOM 2566 H HB3 . LYS B 2 73 ? -30.19364 -32.92538 22.17779 1.000 30.57258 ? 52 LYS X HB3 1 ATOM 2567 H HG2 . LYS B 2 73 ? -32.04400 -33.44646 20.82225 1.000 34.79295 ? 52 LYS X HG2 1 ATOM 2568 H HG3 . LYS B 2 73 ? -31.07351 -33.63372 19.57786 1.000 34.79295 ? 52 LYS X HG3 1 ATOM 2569 H HD2 . LYS B 2 73 ? -30.06034 -35.46023 20.71293 1.000 37.59487 ? 52 LYS X HD2 1 ATOM 2570 H HD3 . LYS B 2 73 ? -31.16202 -35.31614 21.84913 1.000 37.59487 ? 52 LYS X HD3 1 ATOM 2571 H HE2 . LYS B 2 73 ? -32.83896 -35.86238 20.31527 1.000 41.66385 ? 52 LYS X HE2 1 ATOM 2572 H HE3 . LYS B 2 73 ? -31.76002 -35.95849 19.15249 1.000 41.66385 ? 52 LYS X HE3 1 ATOM 2573 H HZ1 . LYS B 2 73 ? -30.87495 -37.77220 20.18332 1.000 47.58490 ? 52 LYS X HZ1 1 ATOM 2574 H HZ2 . LYS B 2 73 ? -31.78574 -37.65941 21.30407 1.000 47.58490 ? 52 LYS X HZ2 1 ATOM 2575 H HZ3 . LYS B 2 73 ? -32.28739 -38.03487 19.99804 1.000 47.58490 ? 52 LYS X HZ3 1 ATOM 2576 N N . PRO B 2 74 ? -29.42044 -30.38998 23.00371 1.000 22.39777 ? 53 PRO X N 1 ATOM 2577 C CA . PRO B 2 74 ? -28.40137 -29.71888 23.82105 1.000 21.09694 ? 53 PRO X CA 1 ATOM 2578 C C . PRO B 2 74 ? -27.03588 -30.35095 23.62610 1.000 20.36847 ? 53 PRO X C 1 ATOM 2579 O O . PRO B 2 74 ? -26.91291 -31.56819 23.49261 1.000 19.77476 ? 53 PRO X O 1 ATOM 2580 C CB . PRO B 2 74 ? -28.90652 -29.92219 25.25351 1.000 22.70120 ? 53 PRO X CB 1 ATOM 2581 C CG . PRO B 2 74 ? -30.39698 -30.05399 25.10507 1.000 22.47968 ? 53 PRO X CG 1 ATOM 2582 C CD . PRO B 2 74 ? -30.59778 -30.78995 23.80856 1.000 23.34682 ? 53 PRO X CD 1 ATOM 2583 H HA . PRO B 2 74 ? -28.36315 -28.77247 23.61192 1.000 25.31309 ? 53 PRO X HA 1 ATOM 2584 H HB2 . PRO B 2 74 ? -28.52005 -30.72737 25.63196 1.000 27.23822 ? 53 PRO X HB2 1 ATOM 2585 H HB3 . PRO B 2 74 ? -28.67586 -29.15485 25.80020 1.000 27.23822 ? 53 PRO X HB3 1 ATOM 2586 H HG2 . PRO B 2 74 ? -30.75967 -30.55886 25.84969 1.000 26.97239 ? 53 PRO X HG2 1 ATOM 2587 H HG3 . PRO B 2 74 ? -30.80452 -29.17442 25.07076 1.000 26.97239 ? 53 PRO X HG3 1 ATOM 2588 H HD2 . PRO B 2 74 ? -30.60693 -31.74897 23.95385 1.000 28.01296 ? 53 PRO X HD2 1 ATOM 2589 H HD3 . PRO B 2 74 ? -31.42111 -30.51181 23.37767 1.000 28.01296 ? 53 PRO X HD3 1 ATOM 2590 N N . TYR B 2 75 ? -26.01392 -29.50288 23.58127 1.000 20.02929 ? 54 TYR X N 1 ATOM 2591 C CA . TYR B 2 75 ? -24.62255 -29.88625 23.49181 1.000 19.72855 ? 54 TYR X CA 1 ATOM 2592 C C . TYR B 2 75 ? -24.24896 -30.37134 22.10318 1.000 21.11435 ? 54 TYR X C 1 ATOM 2593 O O . TYR B 2 75 ? -23.10349 -30.77387 21.90653 1.000 25.24378 ? 54 TYR X O 1 ATOM 2594 C CB . TYR B 2 75 ? -24.25258 -30.91733 24.56258 1.000 19.01227 ? 54 TYR X CB 1 ATOM 2595 C CG . TYR B 2 75 ? -24.39312 -30.34179 25.92950 1.000 19.88745 ? 54 TYR X CG 1 ATOM 2596 C CD1 . TYR B 2 75 ? -23.53899 -29.34950 26.35553 1.000 21.06017 ? 54 TYR X CD1 1 ATOM 2597 C CD2 . TYR B 2 75 ? -25.39115 -30.77511 26.78060 1.000 21.31747 ? 54 TYR X CD2 1 ATOM 2598 C CE1 . TYR B 2 75 ? -23.65002 -28.82111 27.61556 1.000 21.27480 ? 54 TYR X CE1 1 ATOM 2599 C CE2 . TYR B 2 75 ? -25.50827 -30.25954 28.05658 1.000 21.91421 ? 54 TYR X CE2 1 ATOM 2600 C CZ . TYR B 2 75 ? -24.64212 -29.28608 28.45941 1.000 21.73961 ? 54 TYR X CZ 1 ATOM 2601 O OH . TYR B 2 75 ? -24.76497 -28.76951 29.74098 1.000 26.00143 ? 54 TYR X OH 1 ATOM 2602 H H . TYR B 2 75 ? -26.11869 -28.64957 23.60324 1.000 24.03191 ? 54 TYR X H 1 ATOM 2603 H HA . TYR B 2 75 ? -24.05976 -29.11112 23.64460 1.000 23.67103 ? 54 TYR X HA 1 ATOM 2604 H HB2 . TYR B 2 75 ? -24.84236 -31.68396 24.48940 1.000 22.81149 ? 54 TYR X HB2 1 ATOM 2605 H HB3 . TYR B 2 75 ? -23.33131 -31.19447 24.43866 1.000 22.81149 ? 54 TYR X HB3 1 ATOM 2606 H HD1 . TYR B 2 75 ? -22.87878 -29.03392 25.78157 1.000 25.26897 ? 54 TYR X HD1 1 ATOM 2607 H HD2 . TYR B 2 75 ? -25.99230 -31.42271 26.49053 1.000 25.57773 ? 54 TYR X HD2 1 ATOM 2608 H HE1 . TYR B 2 75 ? -23.06437 -28.15699 27.89991 1.000 25.52653 ? 54 TYR X HE1 1 ATOM 2609 H HE2 . TYR B 2 75 ? -26.16821 -30.57167 28.63273 1.000 26.29382 ? 54 TYR X HE2 1 ATOM 2610 H HH . TYR B 2 75 ? -24.00427 -28.62465 30.06649 1.000 31.19849 ? 54 TYR X HH 1 ATOM 2611 N N . GLU B 2 76 ? -25.16260 -30.33692 21.14597 1.000 20.25493 ? 55 GLU X N 1 ATOM 2612 C CA . GLU B 2 76 ? -24.85616 -30.61946 19.75254 1.000 20.15336 ? 55 GLU X CA 1 ATOM 2613 C C . GLU B 2 76 ? -24.70081 -29.30304 19.00450 1.000 20.98657 ? 55 GLU X C 1 ATOM 2614 O O . GLU B 2 76 ? -25.35129 -28.30589 19.32212 1.000 24.17018 ? 55 GLU X O 1 ATOM 2615 C CB . GLU B 2 76 ? -25.97211 -31.43777 19.09888 1.000 21.41307 ? 55 GLU X CB 1 ATOM 2616 C CG . GLU B 2 76 ? -26.16463 -32.82249 19.68737 1.000 23.13830 ? 55 GLU X CG 1 ATOM 2617 C CD . GLU B 2 76 ? -27.29918 -33.59408 19.02391 1.000 25.37977 ? 55 GLU X CD 1 ATOM 2618 O OE1 . GLU B 2 76 ? -27.35191 -34.83305 19.20647 1.000 27.53681 ? 55 GLU X OE1 1 ATOM 2619 O OE2 . GLU B 2 76 ? -28.14224 -32.98251 18.32362 1.000 27.10207 -1 55 GLU X OE2 1 ATOM 2620 H H . GLU B 2 76 ? -25.99028 -30.14715 21.28208 1.000 24.30269 ? 55 GLU X H 1 ATOM 2621 H HA . GLU B 2 76 ? -24.03372 -31.13028 19.69288 1.000 24.18080 ? 55 GLU X HA 1 ATOM 2622 H HB2 . GLU B 2 76 ? -26.80832 -30.95704 19.20155 1.000 25.69245 ? 55 GLU X HB2 1 ATOM 2623 H HB3 . GLU B 2 76 ? -25.76498 -31.54583 18.15744 1.000 25.69245 ? 55 GLU X HB3 1 ATOM 2624 H HG2 . GLU B 2 76 ? -25.34739 -33.33177 19.57055 1.000 27.76273 ? 55 GLU X HG2 1 ATOM 2625 H HG3 . GLU B 2 76 ? -26.37117 -32.73858 20.63141 1.000 27.76273 ? 55 GLU X HG3 1 ATOM 2626 N N . GLU B 2 77 ? -23.81557 -29.29482 18.01331 1.000 20.31257 ? 56 GLU X N 1 ATOM 2627 C CA . GLU B 2 77 ? -23.69128 -28.16645 17.10578 1.000 22.39338 ? 56 GLU X CA 1 ATOM 2628 C C . GLU B 2 77 ? -24.08163 -28.66837 15.73050 1.000 19.62996 ? 56 GLU X C 1 ATOM 2629 O O . GLU B 2 77 ? -23.65192 -29.74101 15.32475 1.000 19.97537 ? 56 GLU X O 1 ATOM 2630 C CB . GLU B 2 77 ? -22.25402 -27.64712 17.04129 1.000 30.49718 ? 56 GLU X CB 1 ATOM 2631 C CG . GLU B 2 77 ? -21.74875 -27.16684 18.37999 1.000 41.52178 ? 56 GLU X CG 1 ATOM 2632 C CD . GLU B 2 77 ? -20.37073 -26.54339 18.30906 1.000 55.23992 ? 56 GLU X CD 1 ATOM 2633 O OE1 . GLU B 2 77 ? -19.88792 -26.09311 19.36944 1.000 59.20707 ? 56 GLU X OE1 1 ATOM 2634 O OE2 . GLU B 2 77 ? -19.76789 -26.50303 17.21297 1.000 56.09370 -1 56 GLU X OE2 1 ATOM 2635 H H . GLU B 2 77 ? -23.27150 -29.93981 17.84723 1.000 24.37186 ? 56 GLU X H 1 ATOM 2636 H HA . GLU B 2 77 ? -24.26484 -27.43987 17.39561 1.000 26.86883 ? 56 GLU X HA 1 ATOM 2637 H HB2 . GLU B 2 77 ? -21.67271 -28.36255 16.73939 1.000 36.59338 ? 56 GLU X HB2 1 ATOM 2638 H HB3 . GLU B 2 77 ? -22.21440 -26.90305 16.42024 1.000 36.59338 ? 56 GLU X HB3 1 ATOM 2639 H HG2 . GLU B 2 77 ? -22.36082 -26.49840 18.72561 1.000 49.82291 ? 56 GLU X HG2 1 ATOM 2640 H HG3 . GLU B 2 77 ? -21.70356 -27.92128 18.98801 1.000 49.82291 ? 56 GLU X HG3 1 ATOM 2641 N N . VAL B 2 78 ? -24.92221 -27.92208 15.03987 1.000 18.81371 ? 57 VAL X N 1 ATOM 2642 C CA . VAL B 2 78 ? -25.31697 -28.24393 13.67574 1.000 18.76391 ? 57 VAL X CA 1 ATOM 2643 C C . VAL B 2 78 ? -25.15615 -26.98869 12.83067 1.000 19.26733 ? 57 VAL X C 1 ATOM 2644 O O . VAL B 2 78 ? -25.69137 -25.92620 13.17925 1.000 21.47682 ? 57 VAL X O 1 ATOM 2645 C CB . VAL B 2 78 ? -26.78141 -28.72351 13.59601 1.000 21.27148 ? 57 VAL X CB 1 ATOM 2646 C CG1 . VAL B 2 78 ? -27.17997 -28.95011 12.12981 1.000 22.77033 ? 57 VAL X CG1 1 ATOM 2647 C CG2 . VAL B 2 78 ? -26.98574 -29.95749 14.43659 1.000 23.94791 ? 57 VAL X CG2 1 ATOM 2648 H H . VAL B 2 78 ? -25.28807 -27.20589 15.34455 1.000 22.57322 ? 57 VAL X H 1 ATOM 2649 H HA . VAL B 2 78 ? -24.73608 -28.94271 13.33636 1.000 22.51347 ? 57 VAL X HA 1 ATOM 2650 H HB . VAL B 2 78 ? -27.36773 -28.04002 13.95650 1.000 25.52254 ? 57 VAL X HB 1 ATOM 2651 H HG11 . VAL B 2 78 ? -28.06012 -29.35682 12.10104 1.000 27.32116 ? 57 VAL X HG11 1 ATOM 2652 H HG12 . VAL B 2 78 ? -27.19530 -28.09560 11.67104 1.000 27.32116 ? 57 VAL X HG12 1 ATOM 2653 H HG13 . VAL B 2 78 ? -26.53030 -29.53765 11.71313 1.000 27.32116 ? 57 VAL X HG13 1 ATOM 2654 H HG21 . VAL B 2 78 ? -27.91613 -30.22635 14.38190 1.000 28.73426 ? 57 VAL X HG21 1 ATOM 2655 H HG22 . VAL B 2 78 ? -26.41612 -30.66679 14.09995 1.000 28.73426 ? 57 VAL X HG22 1 ATOM 2656 H HG23 . VAL B 2 78 ? -26.75342 -29.75509 15.35635 1.000 28.73426 ? 57 VAL X HG23 1 ATOM 2657 N N . THR B 2 79 ? -24.45282 -27.11624 11.70475 1.000 18.53267 ? 58 THR X N 1 ATOM 2658 C CA . THR B 2 79 ? -24.35638 -26.01736 10.75833 1.000 20.70833 ? 58 THR X CA 1 ATOM 2659 C C . THR B 2 79 ? -24.51355 -26.56952 9.36005 1.000 21.16122 ? 58 THR X C 1 ATOM 2660 O O . THR B 2 79 ? -24.02898 -27.65651 9.05618 1.000 22.12012 ? 58 THR X O 1 ATOM 2661 C CB . THR B 2 79 ? -23.03404 -25.27330 10.86609 1.000 23.95112 ? 58 THR X CB 1 ATOM 2662 O OG1 . THR B 2 79 ? -21.96655 -26.19545 10.66694 1.000 25.49510 ? 58 THR X OG1 1 ATOM 2663 C CG2 . THR B 2 79 ? -22.90649 -24.61019 12.21411 1.000 25.98774 ? 58 THR X CG2 1 ATOM 2664 H H . THR B 2 79 ? -24.02732 -27.82673 11.47291 1.000 22.23597 ? 58 THR X H 1 ATOM 2665 H HA . THR B 2 79 ? -25.06648 -25.38056 10.93477 1.000 24.84677 ? 58 THR X HA 1 ATOM 2666 H HB . THR B 2 79 ? -22.98627 -24.57687 10.19259 1.000 28.73812 ? 58 THR X HB 1 ATOM 2667 H HG1 . THR B 2 79 ? -21.22868 -25.80699 10.76819 1.000 30.59089 ? 58 THR X HG1 1 ATOM 2668 H HG21 . THR B 2 79 ? -22.04784 -24.16449 12.28467 1.000 31.18205 ? 58 THR X HG21 1 ATOM 2669 H HG22 . THR B 2 79 ? -23.61194 -23.95448 12.32936 1.000 31.18205 ? 58 THR X HG22 1 ATOM 2670 H HG23 . THR B 2 79 ? -22.97548 -25.27385 12.91816 1.000 31.18205 ? 58 THR X HG23 1 ATOM 2671 N N . CYS B 2 80 ? -25.19108 -25.81782 8.51737 1.000 21.60545 ? 59 CYS X N 1 ATOM 2672 C CA . CYS B 2 80 ? -25.48676 -26.23939 7.16339 1.000 23.16532 ? 59 CYS X CA 1 ATOM 2673 C C . CYS B 2 80 ? -24.89194 -25.24894 6.17816 1.000 24.11095 ? 59 CYS X C 1 ATOM 2674 O O . CYS B 2 80 ? -24.53225 -24.12464 6.52672 1.000 25.03541 ? 59 CYS X O 1 ATOM 2675 C CB . CYS B 2 80 ? -26.99907 -26.34266 6.94386 1.000 25.02024 ? 59 CYS X CB 1 ATOM 2676 S SG . CYS B 2 80 ? -27.70396 -27.71011 7.88306 1.000 26.88182 ? 59 CYS X SG 1 ATOM 2677 H H . CYS B 2 80 ? -25.49878 -25.03843 8.71092 1.000 25.92331 ? 59 CYS X H 1 ATOM 2678 H HA . CYS B 2 80 ? -25.09101 -27.10926 6.99726 1.000 27.79515 ? 59 CYS X HA 1 ATOM 2679 H HB2 . CYS B 2 80 ? -27.42289 -25.52005 7.23472 1.000 30.02106 ? 59 CYS X HB2 1 ATOM 2680 H HB3 . CYS B 2 80 ? -27.17756 -26.49293 6.00234 1.000 30.02106 ? 59 CYS X HB3 1 ATOM 2681 N N . CYS B 2 81 ? -24.77247 -25.68794 4.93508 1.000 23.38581 ? 60 CYS X N 1 ATOM 2682 C CA . CYS B 2 81 ? -24.22362 -24.83955 3.88936 1.000 23.37427 ? 60 CYS X CA 1 ATOM 2683 C C . CYS B 2 81 ? -24.77096 -25.36043 2.56536 1.000 24.13082 ? 60 CYS X C 1 ATOM 2684 O O . CYS B 2 81 ? -25.31206 -26.46795 2.48368 1.000 23.73258 ? 60 CYS X O 1 ATOM 2685 C CB . CYS B 2 81 ? -22.68949 -24.82461 3.97553 1.000 24.30117 ? 60 CYS X CB 1 ATOM 2686 S SG . CYS B 2 81 ? -21.89269 -26.44377 3.94939 1.000 24.45365 ? 60 CYS X SG 1 ATOM 2687 H H . CYS B 2 81 ? -25.00206 -26.47359 4.67118 1.000 28.05974 ? 60 CYS X H 1 ATOM 2688 H HA . CYS B 2 81 ? -24.51405 -23.91753 3.96955 1.000 28.04589 ? 60 CYS X HA 1 ATOM 2689 H HB2 . CYS B 2 81 ? -22.34671 -24.32207 3.21998 1.000 29.15817 ? 60 CYS X HB2 1 ATOM 2690 H HB3 . CYS B 2 81 ? -22.43508 -24.39116 4.80517 1.000 29.15817 ? 60 CYS X HB3 1 ATOM 2691 N N . SER B 2 82 ? -24.68521 -24.52609 1.54283 1.000 25.98731 ? 61 SER X N 1 ATOM 2692 C CA . SER B 2 82 ? -25.44396 -24.80161 0.32737 1.000 27.24501 ? 61 SER X CA 1 ATOM 2693 C C . SER B 2 82 ? -24.60750 -24.70508 -0.93886 1.000 26.83042 ? 61 SER X C 1 ATOM 2694 O O . SER B 2 82 ? -25.14935 -24.43563 -2.01431 1.000 27.47673 ? 61 SER X O 1 ATOM 2695 C CB . SER B 2 82 ? -26.66021 -23.87700 0.22691 1.000 31.37268 ? 61 SER X CB 1 ATOM 2696 O OG . SER B 2 82 ? -26.25276 -22.52374 0.26226 1.000 34.65033 ? 61 SER X OG 1 ATOM 2697 H H . SER B 2 82 ? -24.20749 -23.81117 1.52621 1.000 31.18155 ? 61 SER X H 1 ATOM 2698 H HA . SER B 2 82 ? -25.74728 -25.72118 0.38469 1.000 32.69078 ? 61 SER X HA 1 ATOM 2699 H HB2 . SER B 2 82 ? -27.12143 -24.04828 -0.60905 1.000 37.64398 ? 61 SER X HB2 1 ATOM 2700 H HB3 . SER B 2 82 ? -27.25347 -24.04990 0.97461 1.000 37.64398 ? 61 SER X HB3 1 ATOM 2701 H HG . SER B 2 82 ? -26.92481 -22.02267 0.31602 1.000 41.57716 ? 61 SER X HG 1 ATOM 2702 N N . THR B 2 83 ? -23.30857 -24.92367 -0.85025 1.000 25.60462 ? 62 THR X N 1 ATOM 2703 C CA . THR B 2 83 ? -22.47574 -25.03227 -2.03756 1.000 26.34514 ? 62 THR X CA 1 ATOM 2704 C C . THR B 2 83 ? -21.77822 -26.38979 -2.04910 1.000 25.03717 ? 62 THR X C 1 ATOM 2705 O O . THR B 2 83 ? -21.56420 -27.02207 -1.01009 1.000 24.26037 ? 62 THR X O 1 ATOM 2706 C CB . THR B 2 83 ? -21.41740 -23.92831 -2.12496 1.000 27.66813 ? 62 THR X CB 1 ATOM 2707 O OG1 . THR B 2 83 ? -20.55009 -24.01160 -0.99126 1.000 28.18859 ? 62 THR X OG1 1 ATOM 2708 C CG2 . THR B 2 83 ? -22.06034 -22.54787 -2.19034 1.000 29.89183 ? 62 THR X CG2 1 ATOM 2709 H H . THR B 2 83 ? -22.88166 -25.01357 -0.10912 1.000 30.72232 ? 62 THR X H 1 ATOM 2710 H HA . THR B 2 83 ? -23.04770 -24.95240 -2.81691 1.000 31.61093 ? 62 THR X HA 1 ATOM 2711 H HB . THR B 2 83 ? -20.89918 -24.04375 -2.93676 1.000 33.19852 ? 62 THR X HB 1 ATOM 2712 H HG1 . THR B 2 83 ? -20.11664 -23.29691 -0.90801 1.000 33.82308 ? 62 THR X HG1 1 ATOM 2713 H HG21 . THR B 2 83 ? -21.37432 -21.86503 -2.25350 1.000 35.86696 ? 62 THR X HG21 1 ATOM 2714 H HG22 . THR B 2 83 ? -22.63744 -22.48716 -2.96762 1.000 35.86696 ? 62 THR X HG22 1 ATOM 2715 H HG23 . THR B 2 83 ? -22.58910 -22.39005 -1.39258 1.000 35.86696 ? 62 THR X HG23 1 ATOM 2716 N N . ASP B 2 84 ? -21.41056 -26.84158 -3.24364 1.000 25.12374 ? 63 ASP X N 1 ATOM 2717 C CA . ASP B 2 84 ? -20.85812 -28.18276 -3.38052 1.000 25.05897 ? 63 ASP X CA 1 ATOM 2718 C C . ASP B 2 84 ? -19.65951 -28.37659 -2.46095 1.000 24.89014 ? 63 ASP X C 1 ATOM 2719 O O . ASP B 2 84 ? -18.75921 -27.52976 -2.40054 1.000 26.19171 ? 63 ASP X O 1 ATOM 2720 C CB . ASP B 2 84 ? -20.43538 -28.44020 -4.82732 1.000 26.11014 ? 63 ASP X CB 1 ATOM 2721 C CG . ASP B 2 84 ? -21.60136 -28.70940 -5.74684 1.000 29.28038 ? 63 ASP X CG 1 ATOM 2722 O OD1 . ASP B 2 84 ? -22.72958 -29.01163 -5.29844 1.000 29.19779 ? 63 ASP X OD1 1 ATOM 2723 O OD2 . ASP B 2 84 ? -21.36799 -28.63792 -6.96397 1.000 32.55348 -1 63 ASP X OD2 1 ATOM 2724 H H . ASP B 2 84 ? -21.46977 -26.39849 -3.97833 1.000 30.14525 ? 63 ASP X H 1 ATOM 2725 H HA . ASP B 2 84 ? -21.54407 -28.82328 -3.13534 1.000 30.06754 ? 63 ASP X HA 1 ATOM 2726 H HB2 . ASP B 2 84 ? -19.96586 -27.65996 -5.16150 1.000 31.32894 ? 63 ASP X HB2 1 ATOM 2727 H HB3 . ASP B 2 84 ? -19.85146 -29.21438 -4.85148 1.000 31.32894 ? 63 ASP X HB3 1 ATOM 2728 N N . LYS B 2 85 ? -19.66583 -29.50056 -1.73555 1.000 24.02106 ? 64 LYS X N 1 ATOM 2729 C CA . LYS B 2 85 ? -18.53778 -29.95448 -0.93171 1.000 25.23938 ? 64 LYS X CA 1 ATOM 2730 C C . LYS B 2 85 ? -18.20697 -28.99351 0.20609 1.000 22.26075 ? 64 LYS X C 1 ATOM 2731 O O . LYS B 2 85 ? -17.07797 -28.96528 0.68628 1.000 22.33165 ? 64 LYS X O 1 ATOM 2732 C CB . LYS B 2 85 ? -17.29961 -30.24401 -1.78735 1.000 31.10479 ? 64 LYS X CB 1 ATOM 2733 C CG . LYS B 2 85 ? -17.46671 -31.42893 -2.74796 1.000 41.81797 ? 64 LYS X CG 1 ATOM 2734 C CD . LYS B 2 85 ? -16.17942 -31.73958 -3.51091 1.000 52.83541 ? 64 LYS X CD 1 ATOM 2735 C CE . LYS B 2 85 ? -16.42238 -32.77947 -4.60546 1.000 61.90918 ? 64 LYS X CE 1 ATOM 2736 N NZ . LYS B 2 85 ? -15.29759 -33.75265 -4.80377 1.000 63.93934 ? 64 LYS X NZ 1 ATOM 2737 H H . LYS B 2 85 ? -20.33980 -30.03321 -1.69497 1.000 28.82204 ? 64 LYS X H 1 ATOM 2738 H HA . LYS B 2 85 ? -18.79517 -30.79300 -0.51754 1.000 30.28402 ? 64 LYS X HA 1 ATOM 2739 H HB2 . LYS B 2 85 ? -17.09944 -29.45845 -2.32002 1.000 37.32252 ? 64 LYS X HB2 1 ATOM 2740 H HB3 . LYS B 2 85 ? -16.55508 -30.44425 -1.19873 1.000 37.32252 ? 64 LYS X HB3 1 ATOM 2741 H HG2 . LYS B 2 85 ? -17.71495 -32.21768 -2.24087 1.000 50.17834 ? 64 LYS X HG2 1 ATOM 2742 H HG3 . LYS B 2 85 ? -18.15817 -31.21940 -3.39516 1.000 50.17834 ? 64 LYS X HG3 1 ATOM 2743 H HD2 . LYS B 2 85 ? -15.84772 -30.92871 -3.92728 1.000 63.39926 ? 64 LYS X HD2 1 ATOM 2744 H HD3 . LYS B 2 85 ? -15.51706 -32.09159 -2.89588 1.000 63.39926 ? 64 LYS X HD3 1 ATOM 2745 H HE2 . LYS B 2 85 ? -17.21376 -33.29111 -4.37561 1.000 74.28778 ? 64 LYS X HE2 1 ATOM 2746 H HE3 . LYS B 2 85 ? -16.55939 -32.31653 -5.44678 1.000 74.28778 ? 64 LYS X HE3 1 ATOM 2747 H HZ1 . LYS B 2 85 ? -15.50323 -34.32775 -5.45112 1.000 76.72398 ? 64 LYS X HZ1 1 ATOM 2748 H HZ2 . LYS B 2 85 ? -14.55473 -33.31744 -5.02927 1.000 76.72398 ? 64 LYS X HZ2 1 ATOM 2749 H HZ3 . LYS B 2 85 ? -15.15029 -34.20501 -4.05159 1.000 76.72398 ? 64 LYS X HZ3 1 ATOM 2750 N N . CYS B 2 86 ? -19.19067 -28.21370 0.65305 1.000 21.38657 ? 65 CYS X N 1 ATOM 2751 C CA . CYS B 2 86 ? -18.92537 -27.14792 1.60720 1.000 20.03077 ? 65 CYS X CA 1 ATOM 2752 C C . CYS B 2 86 ? -18.75963 -27.65013 3.03887 1.000 18.20016 ? 65 CYS X C 1 ATOM 2753 O O . CYS B 2 86 ? -18.41925 -26.84857 3.93384 1.000 19.70004 ? 65 CYS X O 1 ATOM 2754 C CB . CYS B 2 86 ? -20.03736 -26.10373 1.57218 1.000 21.03738 ? 65 CYS X CB 1 ATOM 2755 S SG . CYS B 2 86 ? -21.70316 -26.72646 1.93330 1.000 22.84199 ? 65 CYS X SG 1 ATOM 2756 H H . CYS B 2 86 ? -20.01495 -28.28402 0.41806 1.000 25.66066 ? 65 CYS X H 1 ATOM 2757 H HA . CYS B 2 86 ? -18.09987 -26.71268 1.34261 1.000 24.03370 ? 65 CYS X HA 1 ATOM 2758 H HB2 . CYS B 2 86 ? -19.83523 -25.42051 2.23040 1.000 25.24163 ? 65 CYS X HB2 1 ATOM 2759 H HB3 . CYS B 2 86 ? -20.06103 -25.71281 0.68476 1.000 25.24163 ? 65 CYS X HB3 1 ATOM 2760 N N . ASN B 2 87 ? -18.99830 -28.93322 3.29864 1.000 17.54835 ? 66 ASN X N 1 ATOM 2761 C CA . ASN B 2 87 ? -18.96076 -29.47889 4.65545 1.000 16.66542 ? 66 ASN X CA 1 ATOM 2762 C C . ASN B 2 87 ? -17.87846 -30.54455 4.82768 1.000 15.98194 ? 66 ASN X C 1 ATOM 2763 O O . ASN B 2 87 ? -18.17143 -31.67645 5.23167 1.000 16.75935 ? 66 ASN X O 1 ATOM 2764 C CB . ASN B 2 87 ? -20.32065 -30.07373 5.01124 1.000 17.73357 ? 66 ASN X CB 1 ATOM 2765 C CG . ASN B 2 87 ? -20.67928 -31.26198 4.13682 1.000 17.92062 ? 66 ASN X CG 1 ATOM 2766 O OD1 . ASN B 2 87 ? -20.21357 -31.36445 3.00286 1.000 18.26981 ? 66 ASN X OD1 1 ATOM 2767 N ND2 . ASN B 2 87 ? -21.48323 -32.17172 4.66255 1.000 17.89488 ? 66 ASN X ND2 1 ATOM 2768 H H . ASN B 2 87 ? -19.18731 -29.51696 2.69605 1.000 21.05479 ? 66 ASN X H 1 ATOM 2769 H HA . ASN B 2 87 ? -18.73800 -28.75043 5.25596 1.000 19.99527 ? 66 ASN X HA 1 ATOM 2770 H HB2 . ASN B 2 87 ? -20.30488 -30.37240 5.93398 1.000 21.27706 ? 66 ASN X HB2 1 ATOM 2771 H HB3 . ASN B 2 87 ? -21.00429 -29.39572 4.89363 1.000 21.27706 ? 66 ASN X HB3 1 ATOM 2772 H HD21 . ASN B 2 87 ? -21.71198 -32.86105 4.20201 1.000 21.47063 ? 66 ASN X HD21 1 ATOM 2773 H HD22 . ASN B 2 87 ? -21.77708 -32.07375 5.46484 1.000 21.47063 ? 66 ASN X HD22 1 ATOM 2774 N N . PRO B 2 88 ? -16.61107 -30.20378 4.60354 1.000 17.56782 ? 67 PRO X N 1 ATOM 2775 C CA . PRO B 2 88 ? -15.55380 -31.22059 4.71252 1.000 17.39574 ? 67 PRO X CA 1 ATOM 2776 C C . PRO B 2 88 ? -15.27142 -31.62547 6.14827 1.000 16.58274 ? 67 PRO X C 1 ATOM 2777 O O . PRO B 2 88 ? -15.34786 -30.81146 7.07408 1.000 17.70067 ? 67 PRO X O 1 ATOM 2778 C CB . PRO B 2 88 ? -14.33279 -30.51315 4.11160 1.000 19.72659 ? 67 PRO X CB 1 ATOM 2779 C CG . PRO B 2 88 ? -14.58297 -29.05802 4.40546 1.000 20.69879 ? 67 PRO X CG 1 ATOM 2780 C CD . PRO B 2 88 ? -16.07370 -28.89306 4.18673 1.000 19.11599 ? 67 PRO X CD 1 ATOM 2781 H HA . PRO B 2 88 ? -15.79386 -32.00622 4.19672 1.000 20.87166 ? 67 PRO X HA 1 ATOM 2782 H HB2 . PRO B 2 88 ? -13.52028 -30.82406 4.54061 1.000 23.66868 ? 67 PRO X HB2 1 ATOM 2783 H HB3 . PRO B 2 88 ? -14.28703 -30.67637 3.15652 1.000 23.66868 ? 67 PRO X HB3 1 ATOM 2784 H HG2 . PRO B 2 88 ? -14.33841 -28.85444 5.32178 1.000 24.83532 ? 67 PRO X HG2 1 ATOM 2785 H HG3 . PRO B 2 88 ? -14.07526 -28.50086 3.79497 1.000 24.83532 ? 67 PRO X HG3 1 ATOM 2786 H HD2 . PRO B 2 88 ? -16.42913 -28.18007 4.74010 1.000 22.93596 ? 67 PRO X HD2 1 ATOM 2787 H HD3 . PRO B 2 88 ? -16.27049 -28.71796 3.25318 1.000 22.93596 ? 67 PRO X HD3 1 ATOM 2788 N N . HIS B 2 89 ? -14.86882 -32.88567 6.29807 1.000 17.09092 ? 68 HIS X N 1 ATOM 2789 C CA . HIS B 2 89 ? -14.31679 -33.37144 7.55181 1.000 16.30157 ? 68 HIS X CA 1 ATOM 2790 C C . HIS B 2 89 ? -13.08620 -32.52373 7.87765 1.000 17.06767 ? 68 HIS X C 1 ATOM 2791 O O . HIS B 2 89 ? -12.35651 -32.11270 6.96524 1.000 18.74720 ? 68 HIS X O 1 ATOM 2792 C CB . HIS B 2 89 ? -13.90322 -34.83689 7.41487 1.000 16.61502 ? 68 HIS X CB 1 ATOM 2793 C CG . HIS B 2 89 ? -13.50138 -35.46940 8.71247 1.000 17.62028 ? 68 HIS X CG 1 ATOM 2794 N ND1 . HIS B 2 89 ? -12.23652 -35.32544 9.25123 1.000 19.10930 ? 68 HIS X ND1 1 ATOM 2795 C CD2 . HIS B 2 89 ? -14.18955 -36.25545 9.57639 1.000 17.91639 ? 68 HIS X CD2 1 ATOM 2796 C CE1 . HIS B 2 89 ? -12.17831 -35.98584 10.39009 1.000 18.95987 ? 68 HIS X CE1 1 ATOM 2797 N NE2 . HIS B 2 89 ? -13.35113 -36.55228 10.61818 1.000 19.07784 ? 68 HIS X NE2 1 ATOM 2798 H H . HIS B 2 89 ? -14.90614 -33.48352 5.68099 1.000 20.50588 ? 68 HIS X H 1 ATOM 2799 H HA . HIS B 2 89 ? -14.96878 -33.30900 8.26729 1.000 19.55865 ? 68 HIS X HA 1 ATOM 2800 H HB2 . HIS B 2 89 ? -14.65127 -35.34084 7.05800 1.000 19.93479 ? 68 HIS X HB2 1 ATOM 2801 H HB3 . HIS B 2 89 ? -13.14674 -34.89310 6.81032 1.000 19.93479 ? 68 HIS X HB3 1 ATOM 2802 H HD2 . HIS B 2 89 ? -15.06938 -36.54080 9.47953 1.000 21.49644 ? 68 HIS X HD2 1 ATOM 2803 H HE1 . HIS B 2 89 ? -11.43323 -36.04407 10.94360 1.000 22.74861 ? 68 HIS X HE1 1 ATOM 2804 H HE2 . HIS B 2 89 ? -13.55370 -37.02759 11.30567 1.000 22.89018 ? 68 HIS X HE2 1 ATOM 2805 N N . PRO B 2 90 ? -12.81786 -32.25790 9.16461 1.000 17.45716 ? 69 PRO X N 1 ATOM 2806 C CA . PRO B 2 90 ? -11.63267 -31.44885 9.48956 1.000 19.61411 ? 69 PRO X CA 1 ATOM 2807 C C . PRO B 2 90 ? -10.34212 -31.98420 8.90664 1.000 20.17187 ? 69 PRO X C 1 ATOM 2808 O O . PRO B 2 90 ? -9.44386 -31.19367 8.61428 1.000 22.75422 ? 69 PRO X O 1 ATOM 2809 C CB . PRO B 2 90 ? -11.60482 -31.46952 11.02421 1.000 21.56179 ? 69 PRO X CB 1 ATOM 2810 C CG . PRO B 2 90 ? -12.96434 -31.76880 11.43869 1.000 21.54873 ? 69 PRO X CG 1 ATOM 2811 C CD . PRO B 2 90 ? -13.61045 -32.60410 10.36480 1.000 18.71974 ? 69 PRO X CD 1 ATOM 2812 H HA . PRO B 2 90 ? -11.76742 -30.54038 9.17744 1.000 23.53370 ? 69 PRO X HA 1 ATOM 2813 H HB2 . PRO B 2 90 ? -10.99211 -32.15603 11.33110 1.000 25.87092 ? 69 PRO X HB2 1 ATOM 2814 H HB3 . PRO B 2 90 ? -11.32586 -30.60256 11.35808 1.000 25.87092 ? 69 PRO X HB3 1 ATOM 2815 H HG2 . PRO B 2 90 ? -12.94056 -32.25905 12.27534 1.000 25.85525 ? 69 PRO X HG2 1 ATOM 2816 H HG3 . PRO B 2 90 ? -13.45107 -30.93783 11.55481 1.000 25.85525 ? 69 PRO X HG3 1 ATOM 2817 H HD2 . PRO B 2 90 ? -13.53761 -33.54962 10.56875 1.000 22.46045 ? 69 PRO X HD2 1 ATOM 2818 H HD3 . PRO B 2 90 ? -14.54215 -32.36065 10.24833 1.000 22.46045 ? 69 PRO X HD3 1 ATOM 2819 N N . LYS B 2 91 ? -10.20144 -33.29208 8.74069 1.000 20.16193 ? 70 LYS X N 1 ATOM 2820 C CA . LYS B 2 91 ? -8.96202 -33.84602 8.21614 1.000 22.70438 ? 70 LYS X CA 1 ATOM 2821 C C . LYS B 2 91 ? -8.95876 -33.89994 6.69498 1.000 23.84677 ? 70 LYS X C 1 ATOM 2822 O O . LYS B 2 91 ? -7.97082 -34.34635 6.10456 1.000 25.13913 ? 70 LYS X O 1 ATOM 2823 C CB . LYS B 2 91 ? -8.68703 -35.19757 8.86737 1.000 26.75003 ? 70 LYS X CB 1 ATOM 2824 C CG . LYS B 2 91 ? -8.53404 -35.07455 10.39225 1.000 29.74230 ? 70 LYS X CG 1 ATOM 2825 C CD . LYS B 2 91 ? -7.40450 -34.08772 10.73476 1.000 36.75476 ? 70 LYS X CD 1 ATOM 2826 C CE . LYS B 2 91 ? -7.19902 -33.91768 12.23425 1.000 44.78864 ? 70 LYS X CE 1 ATOM 2827 N NZ . LYS B 2 91 ? -7.96043 -32.75056 12.76774 1.000 45.20166 ? 70 LYS X NZ 1 ATOM 2828 H H . LYS B 2 91 ? -10.80612 -33.87559 8.92363 1.000 24.19108 ? 70 LYS X H 1 ATOM 2829 H HA . LYS B 2 91 ? -8.20555 -33.28962 8.45916 1.000 27.24203 ? 70 LYS X HA 1 ATOM 2830 H HB2 . LYS B 2 91 ? -9.42651 -35.79757 8.68280 1.000 32.09680 ? 70 LYS X HB2 1 ATOM 2831 H HB3 . LYS B 2 91 ? -7.86440 -35.56432 8.50726 1.000 32.09680 ? 70 LYS X HB3 1 ATOM 2832 H HG2 . LYS B 2 91 ? -9.36112 -34.74546 10.77765 1.000 35.68754 ? 70 LYS X HG2 1 ATOM 2833 H HG3 . LYS B 2 91 ? -8.31409 -35.94090 10.76904 1.000 35.68754 ? 70 LYS X HG3 1 ATOM 2834 H HD2 . LYS B 2 91 ? -6.57395 -34.41410 10.35454 1.000 44.10248 ? 70 LYS X HD2 1 ATOM 2835 H HD3 . LYS B 2 91 ? -7.62086 -33.21855 10.36243 1.000 44.10248 ? 70 LYS X HD3 1 ATOM 2836 H HE2 . LYS B 2 91 ? -7.50600 -34.71586 12.69204 1.000 53.74314 ? 70 LYS X HE2 1 ATOM 2837 H HE3 . LYS B 2 91 ? -6.25675 -33.77379 12.41402 1.000 53.74314 ? 70 LYS X HE3 1 ATOM 2838 H HZ1 . LYS B 2 91 ? -7.85048 -32.69249 13.64901 1.000 54.23876 ? 70 LYS X HZ1 1 ATOM 2839 H HZ2 . LYS B 2 91 ? -7.66942 -31.99897 12.39021 1.000 54.23876 ? 70 LYS X HZ2 1 ATOM 2840 H HZ3 . LYS B 2 91 ? -8.82737 -32.84594 12.59049 1.000 54.23876 ? 70 LYS X HZ3 1 ATOM 2841 N N . GLN B 2 92 ? -10.03026 -33.40242 6.05538 1.000 23.40571 ? 71 GLN X N 1 ATOM 2842 C CA . GLN B 2 92 ? -10.11037 -33.23876 4.60614 1.000 23.59690 ? 71 GLN X CA 1 ATOM 2843 C C . GLN B 2 92 ? -10.47349 -31.80157 4.24149 1.000 27.69496 ? 71 GLN X C 1 ATOM 2844 O O . GLN B 2 92 ? -11.00827 -31.55011 3.16463 1.000 29.36331 ? 71 GLN X O 1 ATOM 2845 C CB . GLN B 2 92 ? -11.14436 -34.20240 4.01773 1.000 22.66848 ? 71 GLN X CB 1 ATOM 2846 C CG . GLN B 2 92 ? -10.88585 -35.67270 4.33469 1.000 23.06293 ? 71 GLN X CG 1 ATOM 2847 C CD . GLN B 2 92 ? -11.73655 -36.60998 3.49993 1.000 22.36237 ? 71 GLN X CD 1 ATOM 2848 O OE1 . GLN B 2 92 ? -12.85247 -36.25689 3.06455 1.000 22.93300 ? 71 GLN X OE1 1 ATOM 2849 N NE2 . GLN B 2 92 ? -11.22603 -37.82144 3.28130 1.000 24.57807 ? 71 GLN X NE2 1 ATOM 2850 H H . GLN B 2 92 ? -10.74507 -33.14541 6.45861 1.000 28.08363 ? 71 GLN X H 1 ATOM 2851 H HA . GLN B 2 92 ? -9.24876 -33.44563 4.21151 1.000 28.31306 ? 71 GLN X HA 1 ATOM 2852 H HB2 . GLN B 2 92 ? -12.01753 -33.97444 4.37343 1.000 27.19894 ? 71 GLN X HB2 1 ATOM 2853 H HB3 . GLN B 2 92 ? -11.14370 -34.10554 3.05258 1.000 27.19894 ? 71 GLN X HB3 1 ATOM 2854 H HG2 . GLN B 2 92 ? -9.95393 -35.87530 4.15755 1.000 27.67229 ? 71 GLN X HG2 1 ATOM 2855 H HG3 . GLN B 2 92 ? -11.08888 -35.83521 5.26918 1.000 27.67229 ? 71 GLN X HG3 1 ATOM 2856 H HE21 . GLN B 2 92 ? -10.45792 -38.02962 3.60728 1.000 29.49045 ? 71 GLN X HE21 1 ATOM 2857 H HE22 . GLN B 2 92 ? -11.66471 -38.39504 2.81423 1.000 29.49045 ? 71 GLN X HE22 1 ATOM 2858 N N . ARG B 2 93 ? -10.21206 -30.86276 5.12815 1.000 31.49553 ? 72 ARG X N 1 ATOM 2859 C CA . ARG B 2 93 ? -10.51975 -29.45969 4.94821 1.000 36.33805 ? 72 ARG X CA 1 ATOM 2860 C C . ARG B 2 93 ? -9.23109 -28.67251 4.81217 1.000 43.60445 ? 72 ARG X C 1 ATOM 2861 O O . ARG B 2 93 ? -8.26606 -28.94854 5.53492 1.000 43.24495 ? 72 ARG X O 1 ATOM 2862 C CB . ARG B 2 93 ? -11.26925 -28.95934 6.19933 1.000 33.78089 ? 72 ARG X CB 1 ATOM 2863 C CG . ARG B 2 93 ? -11.63208 -27.48384 6.19357 1.000 31.45091 ? 72 ARG X CG 1 ATOM 2864 C CD . ARG B 2 93 ? -12.51447 -27.16550 7.40834 1.000 29.67780 ? 72 ARG X CD 1 ATOM 2865 N NE . ARG B 2 93 ? -11.79298 -27.39225 8.66451 1.000 28.85164 ? 72 ARG X NE 1 ATOM 2866 C CZ . ARG B 2 93 ? -12.36937 -27.53549 9.85250 1.000 28.64238 ? 72 ARG X CZ 1 ATOM 2867 N NH1 . ARG B 2 93 ? -13.68734 -27.55967 9.98355 1.000 29.36696 ? 72 ARG X NH1 1 ATOM 2868 N NH2 . ARG B 2 93 ? -11.60498 -27.63318 10.94004 1.000 29.27381 ? 72 ARG X NH2 1 ATOM 2869 H H . ARG B 2 93 ? -9.83557 -31.02111 5.88498 1.000 37.79140 ? 72 ARG X H 1 ATOM 2870 H HA . ARG B 2 93 ? -11.06127 -29.31410 4.15672 1.000 43.60243 ? 72 ARG X HA 1 ATOM 2871 H HB2 . ARG B 2 93 ? -12.09587 -29.46025 6.28107 1.000 40.53384 ? 72 ARG X HB2 1 ATOM 2872 H HB3 . ARG B 2 93 ? -10.70815 -29.11629 6.97485 1.000 40.53384 ? 72 ARG X HB3 1 ATOM 2873 H HG2 . ARG B 2 93 ? -10.82566 -26.94710 6.24353 1.000 37.73786 ? 72 ARG X HG2 1 ATOM 2874 H HG3 . ARG B 2 93 ? -12.12363 -27.26963 5.38524 1.000 37.73786 ? 72 ARG X HG3 1 ATOM 2875 H HD2 . ARG B 2 93 ? -12.78493 -26.23458 7.37461 1.000 35.61013 ? 72 ARG X HD2 1 ATOM 2876 H HD3 . ARG B 2 93 ? -13.29677 -27.73888 7.39705 1.000 35.61013 ? 72 ARG X HD3 1 ATOM 2877 H HE . ARG B 2 93 ? -10.93479 -27.43562 8.62954 1.000 34.61874 ? 72 ARG X HE 1 ATOM 2878 H HH11 . ARG B 2 93 ? -14.18992 -27.48167 9.29006 1.000 35.23712 ? 72 ARG X HH11 1 ATOM 2879 H HH12 . ARG B 2 93 ? -14.04040 -27.65338 10.76212 1.000 35.23712 ? 72 ARG X HH12 1 ATOM 2880 H HH21 . ARG B 2 93 ? -10.74854 -27.60322 10.86778 1.000 35.12534 ? 72 ARG X HH21 1 ATOM 2881 H HH22 . ARG B 2 93 ? -11.96822 -27.72619 11.71400 1.000 35.12534 ? 72 ARG X HH22 1 ATOM 2882 N N . PRO B 2 94 ? -9.17430 -27.69731 3.89244 1.000 51.82398 ? 73 PRO X N 1 ATOM 2883 C CA . PRO B 2 94 ? -8.00974 -26.80440 3.91349 1.000 57.25496 ? 73 PRO X CA 1 ATOM 2884 C C . PRO B 2 94 ? -7.87360 -26.10935 5.26987 1.000 57.58793 ? 73 PRO X C 1 ATOM 2885 O O . PRO B 2 94 ? -6.75060 -25.87798 5.71905 1.000 56.95784 ? 73 PRO X O 1 ATOM 2886 C CB . PRO B 2 94 ? -8.32648 -25.78310 2.81593 1.000 53.87947 ? 73 PRO X CB 1 ATOM 2887 C CG . PRO B 2 94 ? -9.35625 -26.46179 1.92740 1.000 54.58399 ? 73 PRO X CG 1 ATOM 2888 C CD . PRO B 2 94 ? -10.15048 -27.33739 2.84325 1.000 54.04287 ? 73 PRO X CD 1 ATOM 2889 H HA . PRO B 2 94 ? -7.19191 -27.27422 3.68696 1.000 68.70272 ? 73 PRO X HA 1 ATOM 2890 H HB2 . PRO B 2 94 ? -8.68903 -24.97532 3.21209 1.000 64.65213 ? 73 PRO X HB2 1 ATOM 2891 H HB3 . PRO B 2 94 ? -7.52114 -25.57525 2.31680 1.000 64.65213 ? 73 PRO X HB3 1 ATOM 2892 H HG2 . PRO B 2 94 ? -9.92271 -25.79406 1.51009 1.000 65.49755 ? 73 PRO X HG2 1 ATOM 2893 H HG3 . PRO B 2 94 ? -8.90847 -26.98891 1.24730 1.000 65.49755 ? 73 PRO X HG3 1 ATOM 2894 H HD2 . PRO B 2 94 ? -10.90110 -26.85262 3.22070 1.000 64.84822 ? 73 PRO X HD2 1 ATOM 2895 H HD3 . PRO B 2 94 ? -10.46614 -28.12810 2.37846 1.000 64.84822 ? 73 PRO X HD3 1 ATOM 2896 N N . ILE C 2 22 ? -12.43891 -29.95265 55.90898 1.000 22.30115 ? 1 ILE Z N 1 ATOM 2897 C CA . ILE C 2 22 ? -13.59933 -29.57785 55.03033 1.000 19.24274 ? 1 ILE Z CA 1 ATOM 2898 C C . ILE C 2 22 ? -14.41070 -30.81165 54.71899 1.000 17.66469 ? 1 ILE Z C 1 ATOM 2899 O O . ILE C 2 22 ? -13.88730 -31.91338 54.61858 1.000 18.75644 ? 1 ILE Z O 1 ATOM 2900 C CB . ILE C 2 22 ? -13.11957 -28.85853 53.76179 1.000 19.68131 ? 1 ILE Z CB 1 ATOM 2901 C CG1 . ILE C 2 22 ? -14.28533 -28.25476 52.98973 1.000 18.51247 ? 1 ILE Z CG1 1 ATOM 2902 C CG2 . ILE C 2 22 ? -12.33295 -29.81397 52.85328 1.000 22.05327 ? 1 ILE Z CG2 1 ATOM 2903 C CD1 . ILE C 2 22 ? -13.83234 -27.34083 51.85433 1.000 19.71439 ? 1 ILE Z CD1 1 ATOM 2904 H H . ILE C 2 22 ? -11.89280 -29.25491 55.99283 1.000 26.75816 ? 1 ILE Z H 1 ATOM 2905 H HA . ILE C 2 22 ? -14.17826 -28.95499 55.49701 1.000 23.08806 ? 1 ILE Z HA 1 ATOM 2906 H HB . ILE C 2 22 ? -12.53476 -28.13909 54.04694 1.000 23.61435 ? 1 ILE Z HB 1 ATOM 2907 H HG12 . ILE C 2 22 ? -14.81429 -28.97130 52.60544 1.000 22.21173 ? 1 ILE Z HG12 1 ATOM 2908 H HG13 . ILE C 2 22 ? -14.82919 -27.73052 53.59824 1.000 22.21173 ? 1 ILE Z HG13 1 ATOM 2909 H HG21 . ILE C 2 22 ? -11.87805 -29.29717 52.16998 1.000 26.46070 ? 1 ILE Z HG21 1 ATOM 2910 H HG22 . ILE C 2 22 ? -11.68457 -30.29710 53.38909 1.000 26.46070 ? 1 ILE Z HG22 1 ATOM 2911 H HG23 . ILE C 2 22 ? -12.95080 -30.43724 52.44012 1.000 26.46070 ? 1 ILE Z HG23 1 ATOM 2912 H HD11 . ILE C 2 22 ? -14.56109 -26.74590 51.61793 1.000 23.65404 ? 1 ILE Z HD11 1 ATOM 2913 H HD12 . ILE C 2 22 ? -13.06669 -26.82441 52.15095 1.000 23.65404 ? 1 ILE Z HD12 1 ATOM 2914 H HD13 . ILE C 2 22 ? -13.58807 -27.88489 51.08932 1.000 23.65404 ? 1 ILE Z HD13 1 ATOM 2915 N N . VAL C 2 23 ? -15.71216 -30.60794 54.56369 1.000 17.16965 ? 2 VAL Z N 1 ATOM 2916 C CA . VAL C 2 23 ? -16.64407 -31.64274 54.13777 1.000 16.48337 ? 2 VAL Z CA 1 ATOM 2917 C C . VAL C 2 23 ? -17.02303 -31.33662 52.69712 1.000 15.76853 ? 2 VAL Z C 1 ATOM 2918 O O . VAL C 2 23 ? -17.36063 -30.19278 52.37326 1.000 17.71504 ? 2 VAL Z O 1 ATOM 2919 C CB . VAL C 2 23 ? -17.89576 -31.63923 55.02822 1.000 18.83426 ? 2 VAL Z CB 1 ATOM 2920 C CG1 . VAL C 2 23 ? -18.91410 -32.61031 54.51725 1.000 18.09760 ? 2 VAL Z CG1 1 ATOM 2921 C CG2 . VAL C 2 23 ? -17.53111 -31.99930 56.45232 1.000 20.99595 ? 2 VAL Z CG2 1 ATOM 2922 H H . VAL C 2 23 ? -16.09284 -29.84974 54.70447 1.000 20.60035 ? 2 VAL Z H 1 ATOM 2923 H HA . VAL C 2 23 ? -16.22551 -32.51661 54.18305 1.000 19.77681 ? 2 VAL Z HA 1 ATOM 2924 H HB . VAL C 2 23 ? -18.27794 -30.74784 55.01220 1.000 22.59788 ? 2 VAL Z HB 1 ATOM 2925 H HG11 . VAL C 2 23 ? -19.62311 -32.69884 55.17328 1.000 21.71389 ? 2 VAL Z HG11 1 ATOM 2926 H HG12 . VAL C 2 23 ? -19.27654 -32.27728 53.68141 1.000 21.71389 ? 2 VAL Z HG12 1 ATOM 2927 H HG13 . VAL C 2 23 ? -18.48713 -33.46937 54.37369 1.000 21.71389 ? 2 VAL Z HG13 1 ATOM 2928 H HG21 . VAL C 2 23 ? -18.28134 -31.79411 57.03193 1.000 25.19191 ? 2 VAL Z HG21 1 ATOM 2929 H HG22 . VAL C 2 23 ? -17.32848 -32.94687 56.49648 1.000 25.19191 ? 2 VAL Z HG22 1 ATOM 2930 H HG23 . VAL C 2 23 ? -16.75524 -31.48230 56.72000 1.000 25.19191 ? 2 VAL Z HG23 1 ATOM 2931 N N . CYS C 2 24 ? -16.94533 -32.33890 51.83709 1.000 15.77878 ? 3 CYS Z N 1 ATOM 2932 C CA . CYS C 2 24 ? -17.23824 -32.13274 50.42721 1.000 15.46412 ? 3 CYS Z CA 1 ATOM 2933 C C . CYS C 2 24 ? -18.22364 -33.17875 49.93062 1.000 15.19350 ? 3 CYS Z C 1 ATOM 2934 O O . CYS C 2 24 ? -18.27702 -34.30731 50.41333 1.000 16.24397 ? 3 CYS Z O 1 ATOM 2935 C CB . CYS C 2 24 ? -15.97533 -32.23661 49.56841 1.000 15.88489 ? 3 CYS Z CB 1 ATOM 2936 S SG . CYS C 2 24 ? -14.75222 -30.96259 49.94520 1.000 17.86667 ? 3 CYS Z SG 1 ATOM 2937 H H . CYS C 2 24 ? -16.72611 -33.14425 52.04435 1.000 18.93130 ? 3 CYS Z H 1 ATOM 2938 H HA . CYS C 2 24 ? -17.63280 -31.25242 50.32599 1.000 18.55372 ? 3 CYS Z HA 1 ATOM 2939 H HB2 . CYS C 2 24 ? -15.56257 -33.10113 49.72048 1.000 19.05864 ? 3 CYS Z HB2 1 ATOM 2940 H HB3 . CYS C 2 24 ? -16.22239 -32.14656 48.63473 1.000 19.05864 ? 3 CYS Z HB3 1 ATOM 2941 N N . HIS C 2 25 ? -19.00200 -32.80477 48.92383 1.000 14.10941 ? 4 HIS Z N 1 ATOM 2942 C CA . HIS C 2 25 ? -19.76922 -33.82077 48.23073 1.000 14.19318 ? 4 HIS Z CA 1 ATOM 2943 C C . HIS C 2 25 ? -18.84458 -34.70075 47.40814 1.000 14.42416 ? 4 HIS Z C 1 ATOM 2944 O O . HIS C 2 25 ? -17.82573 -34.24510 46.88623 1.000 15.53629 ? 4 HIS Z O 1 ATOM 2945 C CB . HIS C 2 25 ? -20.76696 -33.17450 47.28340 1.000 13.85603 ? 4 HIS Z CB 1 ATOM 2946 C CG . HIS C 2 25 ? -21.85323 -32.40245 47.95884 1.000 13.77364 ? 4 HIS Z CG 1 ATOM 2947 N ND1 . HIS C 2 25 ? -22.94696 -33.01289 48.53206 1.000 15.66862 ? 4 HIS Z ND1 1 ATOM 2948 C CD2 . HIS C 2 25 ? -22.02592 -31.06911 48.11261 1.000 15.45652 ? 4 HIS Z CD2 1 ATOM 2949 C CE1 . HIS C 2 25 ? -23.77814 -32.07940 48.97368 1.000 14.86523 ? 4 HIS Z CE1 1 ATOM 2950 N NE2 . HIS C 2 25 ? -23.23542 -30.90221 48.75126 1.000 15.18250 ? 4 HIS Z NE2 1 ATOM 2951 H H . HIS C 2 25 ? -19.09786 -32.00010 48.63588 1.000 16.92806 ? 4 HIS Z H 1 ATOM 2952 H HA . HIS C 2 25 ? -20.24619 -34.35908 48.88159 1.000 17.02858 ? 4 HIS Z HA 1 ATOM 2953 H HB2 . HIS C 2 25 ? -20.28935 -32.56131 46.70307 1.000 16.62401 ? 4 HIS Z HB2 1 ATOM 2954 H HB3 . HIS C 2 25 ? -21.18765 -33.87116 46.75559 1.000 16.62401 ? 4 HIS Z HB3 1 ATOM 2955 H HD2 . HIS C 2 25 ? -21.44290 -30.39750 47.84070 1.000 18.54459 ? 4 HIS Z HD2 1 ATOM 2956 H HE1 . HIS C 2 25 ? -24.60433 -32.23107 49.37281 1.000 17.83504 ? 4 HIS Z HE1 1 ATOM 2957 H HE2 . HIS C 2 25 ? -23.58154 -30.14603 48.97033 1.000 18.21577 ? 4 HIS Z HE2 1 ATOM 2958 N N . THR C 2 26 ? -19.23341 -35.96246 47.26563 1.000 15.39570 ? 5 THR Z N 1 ATOM 2959 C CA . THR C 2 26 ? -18.49430 -36.92760 46.47118 1.000 15.42710 ? 5 THR Z CA 1 ATOM 2960 C C . THR C 2 26 ? -19.43531 -37.75561 45.61182 1.000 15.78836 ? 5 THR Z C 1 ATOM 2961 O O . THR C 2 26 ? -20.57198 -38.06259 46.00325 1.000 16.88673 ? 5 THR Z O 1 ATOM 2962 C CB . THR C 2 26 ? -17.63949 -37.86584 47.32448 1.000 17.82640 ? 5 THR Z CB 1 ATOM 2963 O OG1 . THR C 2 26 ? -16.98646 -38.81606 46.46749 1.000 18.11915 ? 5 THR Z OG1 1 ATOM 2964 C CG2 . THR C 2 26 ? -18.48031 -38.63192 48.33909 1.000 20.13566 ? 5 THR Z CG2 1 ATOM 2965 H H . THR C 2 26 ? -19.94064 -36.28931 47.62977 1.000 18.47161 ? 5 THR Z H 1 ATOM 2966 H HA . THR C 2 26 ? -17.90706 -36.42765 45.88288 1.000 18.50929 ? 5 THR Z HA 1 ATOM 2967 H HB . THR C 2 26 ? -16.98960 -37.33604 47.81220 1.000 21.38845 ? 5 THR Z HB 1 ATOM 2968 H HG1 . THR C 2 26 ? -16.32031 -38.46061 46.09938 1.000 21.73975 ? 5 THR Z HG1 1 ATOM 2969 H HG21 . THR C 2 26 ? -17.90912 -39.19098 48.88872 1.000 24.15956 ? 5 THR Z HG21 1 ATOM 2970 H HG22 . THR C 2 26 ? -18.95737 -38.01065 48.91123 1.000 24.15956 ? 5 THR Z HG22 1 ATOM 2971 H HG23 . THR C 2 26 ? -19.12347 -39.19435 47.87983 1.000 24.15956 ? 5 THR Z HG23 1 ATOM 2972 N N . THR C 2 27 ? -18.95903 -38.09552 44.41321 1.000 15.07566 ? 6 THR Z N 1 ATOM 2973 C CA . THR C 2 27 ? -19.63689 -39.03090 43.52754 1.000 15.50837 ? 6 THR Z CA 1 ATOM 2974 C C . THR C 2 27 ? -18.97810 -40.40422 43.54809 1.000 16.48933 ? 6 THR Z C 1 ATOM 2975 O O . THR C 2 27 ? -19.28329 -41.25691 42.70491 1.000 19.50849 ? 6 THR Z O 1 ATOM 2976 C CB . THR C 2 27 ? -19.70971 -38.47949 42.09404 1.000 14.70336 ? 6 THR Z CB 1 ATOM 2977 O OG1 . THR C 2 27 ? -18.43559 -37.95872 41.68153 1.000 15.59078 ? 6 THR Z OG1 1 ATOM 2978 C CG2 . THR C 2 27 ? -20.70715 -37.35630 42.00256 1.000 15.45811 ? 6 THR Z CG2 1 ATOM 2979 H H . THR C 2 27 ? -18.22573 -37.78735 44.08625 1.000 18.08756 ? 6 THR Z H 1 ATOM 2980 H HA . THR C 2 27 ? -20.55442 -39.13333 43.82509 1.000 18.60681 ? 6 THR Z HA 1 ATOM 2981 H HB . THR C 2 27 ? -19.97630 -39.20627 41.50956 1.000 17.64080 ? 6 THR Z HB 1 ATOM 2982 H HG1 . THR C 2 27 ? -17.83908 -38.54029 41.78902 1.000 18.70571 ? 6 THR Z HG1 1 ATOM 2983 H HG21 . THR C 2 27 ? -20.66102 -36.94216 41.12662 1.000 18.54650 ? 6 THR Z HG21 1 ATOM 2984 H HG22 . THR C 2 27 ? -21.60440 -37.69716 42.14275 1.000 18.54650 ? 6 THR Z HG22 1 ATOM 2985 H HG23 . THR C 2 27 ? -20.51568 -36.68675 42.67780 1.000 18.54650 ? 6 THR Z HG23 1 ATOM 2986 N N . ALA C 2 28 ? -18.08540 -40.63985 44.49379 1.000 17.81376 ? 7 ALA Z N 1 ATOM 2987 C CA . ALA C 2 28 ? -17.40073 -41.91686 44.59305 1.000 19.34652 ? 7 ALA Z CA 1 ATOM 2988 C C . ALA C 2 28 ? -18.16239 -42.92848 45.42087 1.000 19.18404 ? 7 ALA Z C 1 ATOM 2989 O O . ALA C 2 28 ? -17.68985 -44.04514 45.57748 1.000 23.46304 ? 7 ALA Z O 1 ATOM 2990 C CB . ALA C 2 28 ? -16.00030 -41.71302 45.18077 1.000 22.12994 ? 7 ALA Z CB 1 ATOM 2991 H H . ALA C 2 28 ? -17.85635 -40.07040 45.09617 1.000 21.37328 ? 7 ALA Z H 1 ATOM 2992 H HA . ALA C 2 28 ? -17.29750 -42.28648 43.70220 1.000 23.21260 ? 7 ALA Z HA 1 ATOM 2993 H HB1 . ALA C 2 28 ? -15.54548 -42.56900 45.21729 1.000 26.55269 ? 7 ALA Z HB1 1 ATOM 2994 H HB2 . ALA C 2 28 ? -15.50627 -41.09986 44.61431 1.000 26.55269 ? 7 ALA Z HB2 1 ATOM 2995 H HB3 . ALA C 2 28 ? -16.08331 -41.34417 46.07405 1.000 26.55269 ? 7 ALA Z HB3 1 ATOM 2996 N N . THR C 2 29 ? -19.32137 -42.56655 45.94335 1.000 15.74405 ? 8 THR Z N 1 ATOM 2997 C CA . THR C 2 29 ? -20.06881 -43.44065 46.82088 1.000 16.86209 ? 8 THR Z CA 1 ATOM 2998 C C . THR C 2 29 ? -21.44946 -43.71914 46.25295 1.000 17.34915 ? 8 THR Z C 1 ATOM 2999 O O . THR C 2 29 ? -21.95403 -42.99072 45.40066 1.000 17.63968 ? 8 THR Z O 1 ATOM 3000 C CB . THR C 2 29 ? -20.25889 -42.81900 48.21921 1.000 16.64806 ? 8 THR Z CB 1 ATOM 3001 O OG1 . THR C 2 29 ? -20.97867 -41.58694 48.13810 1.000 16.72943 ? 8 THR Z OG1 1 ATOM 3002 C CG2 . THR C 2 29 ? -18.92767 -42.57359 48.89920 1.000 17.75784 ? 8 THR Z CG2 1 ATOM 3003 H H . THR C 2 29 ? -19.69900 -41.80722 45.80051 1.000 18.88963 ? 8 THR Z H 1 ATOM 3004 H HA . THR C 2 29 ? -19.57683 -44.27322 46.89634 1.000 20.23128 ? 8 THR Z HA 1 ATOM 3005 H HB . THR C 2 29 ? -20.76736 -43.44534 48.75778 1.000 19.97444 ? 8 THR Z HB 1 ATOM 3006 H HG1 . THR C 2 29 ? -21.79904 -41.73931 48.04134 1.000 20.07209 ? 8 THR Z HG1 1 ATOM 3007 H HG21 . THR C 2 29 ? -19.06413 -42.09929 49.73425 1.000 21.30618 ? 8 THR Z HG21 1 ATOM 3008 H HG22 . THR C 2 29 ? -18.48935 -43.41869 49.08517 1.000 21.30618 ? 8 THR Z HG22 1 ATOM 3009 H HG23 . THR C 2 29 ? -18.35490 -42.04157 48.32493 1.000 21.30618 ? 8 THR Z HG23 1 ATOM 3010 N N . SER C 2 30 ? -22.06556 -44.77262 46.77665 1.000 17.05218 ? 9 SER Z N 1 ATOM 3011 C CA . SER C 2 30 ? -23.43622 -45.10545 46.45654 1.000 18.82302 ? 9 SER Z CA 1 ATOM 3012 C C . SER C 2 30 ? -24.22856 -45.21541 47.74645 1.000 16.95158 ? 9 SER Z C 1 ATOM 3013 O O . SER C 2 30 ? -23.89224 -46.06176 48.58446 1.000 17.92148 ? 9 SER Z O 1 ATOM 3014 C CB . SER C 2 30 ? -23.50689 -46.41955 45.70591 1.000 21.32824 ? 9 SER Z CB 1 ATOM 3015 O OG . SER C 2 30 ? -24.86033 -46.74266 45.45259 1.000 26.47670 ? 9 SER Z OG 1 ATOM 3016 H H . SER C 2 30 ? -21.69774 -45.31757 47.33102 1.000 20.45939 ? 9 SER Z H 1 ATOM 3017 H HA . SER C 2 30 ? -23.81612 -44.40508 45.90332 1.000 22.58439 ? 9 SER Z HA 1 ATOM 3018 H HB2 . SER C 2 30 ? -23.03337 -46.33472 44.86361 1.000 25.59066 ? 9 SER Z HB2 1 ATOM 3019 H HB3 . SER C 2 30 ? -23.10440 -47.11927 46.24377 1.000 25.59066 ? 9 SER Z HB3 1 ATOM 3020 H HG . SER C 2 30 ? -24.91016 -47.48334 45.05951 1.000 31.76881 ? 9 SER Z HG 1 ATOM 3021 N N . PRO C 2 31 ? -25.27310 -44.39838 47.95980 1.000 16.90031 ? 10 PRO Z N 1 ATOM 3022 C CA . PRO C 2 31 ? -25.67153 -43.26952 47.10455 1.000 17.07125 ? 10 PRO Z CA 1 ATOM 3023 C C . PRO C 2 31 ? -24.60501 -42.20810 47.14934 1.000 16.43472 ? 10 PRO Z C 1 ATOM 3024 O O . PRO C 2 31 ? -23.67581 -42.28072 47.98895 1.000 16.78689 ? 10 PRO Z O 1 ATOM 3025 C CB . PRO C 2 31 ? -26.98625 -42.81918 47.70953 1.000 18.84303 ? 10 PRO Z CB 1 ATOM 3026 C CG . PRO C 2 31 ? -26.82379 -43.11347 49.16778 1.000 19.19807 ? 10 PRO Z CG 1 ATOM 3027 C CD . PRO C 2 31 ? -26.02377 -44.40666 49.23378 1.000 18.40484 ? 10 PRO Z CD 1 ATOM 3028 H HA . PRO C 2 31 ? -25.84940 -43.54170 46.19067 1.000 20.48227 ? 10 PRO Z HA 1 ATOM 3029 H HB2 . PRO C 2 31 ? -27.11947 -41.87098 47.55439 1.000 22.60840 ? 10 PRO Z HB2 1 ATOM 3030 H HB3 . PRO C 2 31 ? -27.72136 -43.32425 47.32817 1.000 22.60840 ? 10 PRO Z HB3 1 ATOM 3031 H HG2 . PRO C 2 31 ? -26.34400 -42.38839 49.59785 1.000 23.03445 ? 10 PRO Z HG2 1 ATOM 3032 H HG3 . PRO C 2 31 ? -27.69495 -43.22507 49.57952 1.000 23.03445 ? 10 PRO Z HG3 1 ATOM 3033 H HD2 . PRO C 2 31 ? -25.41907 -44.40157 49.99220 1.000 22.08258 ? 10 PRO Z HD2 1 ATOM 3034 H HD3 . PRO C 2 31 ? -26.61244 -45.17598 49.28399 1.000 22.08258 ? 10 PRO Z HD3 1 ATOM 3035 N N . ILE C 2 32 ? -24.71034 -41.17489 46.30712 1.000 16.00510 ? 11 ILE Z N 1 ATOM 3036 C CA . ILE C 2 32 ? -23.78452 -40.05405 46.40243 1.000 17.26771 ? 11 ILE Z CA 1 ATOM 3037 C C . ILE C 2 32 ? -23.93072 -39.43681 47.79391 1.000 15.86571 ? 11 ILE Z C 1 ATOM 3038 O O . ILE C 2 32 ? -24.99000 -39.52134 48.42663 1.000 16.90222 ? 11 ILE Z O 1 ATOM 3039 C CB . ILE C 2 32 ? -23.96423 -39.04746 45.25518 1.000 16.85499 ? 11 ILE Z CB 1 ATOM 3040 C CG1 . ILE C 2 32 ? -25.33715 -38.41594 45.21561 1.000 17.13635 ? 11 ILE Z CG1 1 ATOM 3041 C CG2 . ILE C 2 32 ? -23.72682 -39.75597 43.93186 1.000 17.16346 ? 11 ILE Z CG2 1 ATOM 3042 C CD1 . ILE C 2 32 ? -25.43121 -37.30232 44.16960 1.000 18.16954 ? 11 ILE Z CD1 1 ATOM 3043 H H . ILE C 2 32 ? -25.29938 -41.10354 45.68460 1.000 19.20289 ? 11 ILE Z H 1 ATOM 3044 H HA . ILE C 2 32 ? -22.87122 -40.36638 46.30625 1.000 20.71802 ? 11 ILE Z HA 1 ATOM 3045 H HB . ILE C 2 32 ? -23.32204 -38.33720 45.41017 1.000 20.22276 ? 11 ILE Z HB 1 ATOM 3046 H HG12 . ILE C 2 32 ? -25.99332 -39.09522 44.99441 1.000 20.56039 ? 11 ILE Z HG12 1 ATOM 3047 H HG13 . ILE C 2 32 ? -25.53609 -38.03290 46.08429 1.000 20.56039 ? 11 ILE Z HG13 1 ATOM 3048 H HG21 . ILE C 2 32 ? -23.75513 -39.10341 43.21474 1.000 20.59292 ? 11 ILE Z HG21 1 ATOM 3049 H HG22 . ILE C 2 32 ? -22.85703 -40.18472 43.95479 1.000 20.59292 ? 11 ILE Z HG22 1 ATOM 3050 H HG23 . ILE C 2 32 ? -24.42030 -40.42146 43.80109 1.000 20.59292 ? 11 ILE Z HG23 1 ATOM 3051 H HD11 . ILE C 2 32 ? -26.30883 -36.89259 44.22258 1.000 21.80022 ? 11 ILE Z HD11 1 ATOM 3052 H HD12 . ILE C 2 32 ? -24.74565 -36.64037 44.35055 1.000 21.80022 ? 11 ILE Z HD12 1 ATOM 3053 H HD13 . ILE C 2 32 ? -25.29735 -37.68474 43.28828 1.000 21.80022 ? 11 ILE Z HD13 1 ATOM 3054 N N . SER C 2 33 ? -22.85653 -38.83459 48.29027 1.000 14.78115 ? 12 SER Z N 1 ATOM 3055 C CA . SER C 2 33 ? -22.85370 -38.46184 49.70097 1.000 16.02467 ? 12 SER Z CA 1 ATOM 3056 C C . SER C 2 33 ? -21.87046 -37.33044 49.94909 1.000 14.95946 ? 12 SER Z C 1 ATOM 3057 O O . SER C 2 33 ? -21.16143 -36.87588 49.05333 1.000 16.10915 ? 12 SER Z O 1 ATOM 3058 C CB . SER C 2 33 ? -22.49964 -39.67305 50.57169 1.000 17.71732 ? 12 SER Z CB 1 ATOM 3059 O OG . SER C 2 33 ? -21.12390 -40.04625 50.41324 1.000 18.44421 ? 12 SER Z OG 1 ATOM 3060 H H . SER C 2 33 ? -22.14510 -38.63862 47.84861 1.000 17.73415 ? 12 SER Z H 1 ATOM 3061 H HA . SER C 2 33 ? -23.73937 -38.13260 49.92027 1.000 19.22637 ? 12 SER Z HA 1 ATOM 3062 H HB2 . SER C 2 33 ? -22.65845 -39.44791 51.50174 1.000 21.25755 ? 12 SER Z HB2 1 ATOM 3063 H HB3 . SER C 2 33 ? -23.05956 -40.42106 50.31114 1.000 21.25755 ? 12 SER Z HB3 1 ATOM 3064 H HG . SER C 2 33 ? -20.97215 -40.25117 49.61288 1.000 22.12982 ? 12 SER Z HG 1 ATOM 3065 N N . ALA C 2 34 ? -21.79303 -36.91357 51.20851 1.000 15.94259 ? 13 ALA Z N 1 ATOM 3066 C CA . ALA C 2 34 ? -20.79048 -35.97345 51.67698 1.000 16.24023 ? 13 ALA Z CA 1 ATOM 3067 C C . ALA C 2 34 ? -19.80046 -36.69771 52.58715 1.000 15.09524 ? 13 ALA Z C 1 ATOM 3068 O O . ALA C 2 34 ? -20.16019 -37.62477 53.31842 1.000 15.38406 ? 13 ALA Z O 1 ATOM 3069 C CB . ALA C 2 34 ? -21.43478 -34.81542 52.45934 1.000 17.34989 ? 13 ALA Z CB 1 ATOM 3070 H H . ALA C 2 34 ? -22.33011 -37.17209 51.82844 1.000 19.12788 ? 13 ALA Z H 1 ATOM 3071 H HA . ALA C 2 34 ? -20.31544 -35.60524 50.91563 1.000 19.48504 ? 13 ALA Z HA 1 ATOM 3072 H HB1 . ALA C 2 34 ? -20.73681 -34.21929 52.77296 1.000 20.81663 ? 13 ALA Z HB1 1 ATOM 3073 H HB2 . ALA C 2 34 ? -22.04018 -34.33601 51.87234 1.000 20.81663 ? 13 ALA Z HB2 1 ATOM 3074 H HB3 . ALA C 2 34 ? -21.92402 -35.17804 53.21436 1.000 20.81663 ? 13 ALA Z HB3 1 ATOM 3075 N N . VAL C 2 35 ? -18.54258 -36.29462 52.50864 1.000 15.85471 ? 14 VAL Z N 1 ATOM 3076 C CA . VAL C 2 35 ? -17.45599 -36.94132 53.23946 1.000 16.45766 ? 14 VAL Z CA 1 ATOM 3077 C C . VAL C 2 35 ? -16.53976 -35.87817 53.81808 1.000 16.45335 ? 14 VAL Z C 1 ATOM 3078 O O . VAL C 2 35 ? -16.39099 -34.78725 53.26212 1.000 16.69412 ? 14 VAL Z O 1 ATOM 3079 C CB . VAL C 2 35 ? -16.67333 -37.89811 52.30233 1.000 19.72637 ? 14 VAL Z CB 1 ATOM 3080 C CG1 . VAL C 2 35 ? -15.95082 -37.12106 51.19142 1.000 20.54810 ? 14 VAL Z CG1 1 ATOM 3081 C CG2 . VAL C 2 35 ? -15.69057 -38.77743 53.10635 1.000 22.66323 ? 14 VAL Z CG2 1 ATOM 3082 H H . VAL C 2 35 ? -18.28262 -35.63136 52.02687 1.000 19.02242 ? 14 VAL Z H 1 ATOM 3083 H HA . VAL C 2 35 ? -17.81315 -37.44677 53.98637 1.000 19.74597 ? 14 VAL Z HA 1 ATOM 3084 H HB . VAL C 2 35 ? -17.30926 -38.49037 51.87136 1.000 23.66841 ? 14 VAL Z HB 1 ATOM 3085 H HG11 . VAL C 2 35 ? -15.63683 -37.74754 50.52072 1.000 24.65450 ? 14 VAL Z HG11 1 ATOM 3086 H HG12 . VAL C 2 35 ? -16.57116 -36.49166 50.79150 1.000 24.65450 ? 14 VAL Z HG12 1 ATOM 3087 H HG13 . VAL C 2 35 ? -15.19887 -36.64476 51.57693 1.000 24.65450 ? 14 VAL Z HG13 1 ATOM 3088 H HG21 . VAL C 2 35 ? -15.24054 -39.38488 52.49859 1.000 27.19264 ? 14 VAL Z HG21 1 ATOM 3089 H HG22 . VAL C 2 35 ? -15.04065 -38.20560 53.54398 1.000 27.19264 ? 14 VAL Z HG22 1 ATOM 3090 H HG23 . VAL C 2 35 ? -16.18768 -39.28119 53.76968 1.000 27.19264 ? 14 VAL Z HG23 1 ATOM 3091 N N . THR C 2 36 ? -15.91272 -36.19876 54.95697 1.000 18.11695 ? 15 THR Z N 1 ATOM 3092 C CA . THR C 2 36 ? -14.86614 -35.34302 55.47106 1.000 18.92060 ? 15 THR Z CA 1 ATOM 3093 C C . THR C 2 36 ? -13.58269 -35.65160 54.71823 1.000 18.89072 ? 15 THR Z C 1 ATOM 3094 O O . THR C 2 36 ? -13.15677 -36.80959 54.63058 1.000 21.27150 ? 15 THR Z O 1 ATOM 3095 C CB . THR C 2 36 ? -14.67749 -35.54003 56.96645 1.000 20.25266 ? 15 THR Z CB 1 ATOM 3096 O OG1 . THR C 2 36 ? -15.89167 -35.17597 57.62847 1.000 22.82259 ? 15 THR Z OG1 1 ATOM 3097 C CG2 . THR C 2 36 ? -13.56278 -34.62502 57.47067 1.000 22.17049 ? 15 THR Z CG2 1 ATOM 3098 H H . THR C 2 36 ? -16.08008 -36.89529 55.43283 1.000 21.73711 ? 15 THR Z H 1 ATOM 3099 H HA . THR C 2 36 ? -15.10718 -34.41363 55.33309 1.000 22.70149 ? 15 THR Z HA 1 ATOM 3100 H HB . THR C 2 36 ? -14.44668 -36.46224 57.15922 1.000 24.29997 ? 15 THR Z HB 1 ATOM 3101 H HG1 . THR C 2 36 ? -15.79535 -35.23923 58.46053 1.000 27.38388 ? 15 THR Z HG1 1 ATOM 3102 H HG21 . THR C 2 36 ? -13.51876 -34.65838 58.43910 1.000 26.60136 ? 15 THR Z HG21 1 ATOM 3103 H HG22 . THR C 2 36 ? -12.70985 -34.90965 57.10679 1.000 26.60136 ? 15 THR Z HG22 1 ATOM 3104 H HG23 . THR C 2 36 ? -13.73353 -33.71095 57.19461 1.000 26.60136 ? 15 THR Z HG23 1 ATOM 3105 N N . CYS C 2 37 ? -13.00006 -34.62171 54.13787 1.000 18.70727 ? 16 CYS Z N 1 ATOM 3106 C CA . CYS C 2 37 ? -11.81701 -34.81371 53.33197 1.000 20.42987 ? 16 CYS Z CA 1 ATOM 3107 C C . CYS C 2 37 ? -10.64032 -35.21359 54.20864 1.000 22.84790 ? 16 CYS Z C 1 ATOM 3108 O O . CYS C 2 37 ? -10.55083 -34.79534 55.36432 1.000 23.90166 ? 16 CYS Z O 1 ATOM 3109 C CB . CYS C 2 37 ? -11.48798 -33.53556 52.58627 1.000 19.63315 ? 16 CYS Z CB 1 ATOM 3110 S SG . CYS C 2 37 ? -12.76082 -33.09527 51.36777 1.000 21.70175 ? 16 CYS Z SG 1 ATOM 3111 H H . CYS C 2 37 ? -13.26865 -33.80673 54.19497 1.000 22.44550 ? 16 CYS Z H 1 ATOM 3112 H HA . CYS C 2 37 ? -11.96848 -35.52095 52.68563 1.000 24.51262 ? 16 CYS Z HA 1 ATOM 3113 H HB2 . CYS C 2 37 ? -11.41509 -32.80735 53.22289 1.000 23.55655 ? 16 CYS Z HB2 1 ATOM 3114 H HB3 . CYS C 2 37 ? -10.64734 -33.65067 52.11619 1.000 23.55655 ? 16 CYS Z HB3 1 ATOM 3115 N N . PRO C 2 38 ? -9.71453 -36.00009 53.67348 1.000 25.10516 ? 17 PRO Z N 1 ATOM 3116 C CA . PRO C 2 38 ? -8.51232 -36.36504 54.42855 1.000 27.87946 ? 17 PRO Z CA 1 ATOM 3117 C C . PRO C 2 38 ? -7.70851 -35.12914 54.78695 1.000 28.16986 ? 17 PRO Z C 1 ATOM 3118 O O . PRO C 2 38 ? -7.75869 -34.10594 54.08802 1.000 27.24723 ? 17 PRO Z O 1 ATOM 3119 C CB . PRO C 2 38 ? -7.72615 -37.24011 53.44404 1.000 31.42718 ? 17 PRO Z CB 1 ATOM 3120 C CG . PRO C 2 38 ? -8.64045 -37.62294 52.38943 1.000 29.95639 ? 17 PRO Z CG 1 ATOM 3121 C CD . PRO C 2 38 ? -9.72893 -36.58498 52.31902 1.000 26.16457 ? 17 PRO Z CD 1 ATOM 3122 H HA . PRO C 2 38 ? -8.74293 -36.86946 55.22434 1.000 33.45212 ? 17 PRO Z HA 1 ATOM 3123 H HB2 . PRO C 2 38 ? -6.98490 -36.72996 53.08182 1.000 37.70939 ? 17 PRO Z HB2 1 ATOM 3124 H HB3 . PRO C 2 38 ? -7.39387 -38.02530 53.90659 1.000 37.70939 ? 17 PRO Z HB3 1 ATOM 3125 H HG2 . PRO C 2 38 ? -8.15848 -37.66158 51.54854 1.000 35.94444 ? 17 PRO Z HG2 1 ATOM 3126 H HG3 . PRO C 2 38 ? -9.01830 -38.49223 52.59550 1.000 35.94444 ? 17 PRO Z HG3 1 ATOM 3127 H HD2 . PRO C 2 38 ? -9.52501 -35.91361 51.64926 1.000 31.39425 ? 17 PRO Z HD2 1 ATOM 3128 H HD3 . PRO C 2 38 ? -10.58697 -36.99482 52.12744 1.000 31.39425 ? 17 PRO Z HD3 1 ATOM 3129 N N . PRO C 2 39 ? -6.91675 -35.21030 55.84416 1.000 28.76661 ? 18 PRO Z N 1 ATOM 3130 C CA . PRO C 2 39 ? -6.03764 -34.08535 56.17858 1.000 31.40104 ? 18 PRO Z CA 1 ATOM 3131 C C . PRO C 2 39 ? -5.17475 -33.71043 54.98469 1.000 31.64083 ? 18 PRO Z C 1 ATOM 3132 O O . PRO C 2 39 ? -4.67820 -34.57199 54.25597 1.000 31.41717 ? 18 PRO Z O 1 ATOM 3133 C CB . PRO C 2 39 ? -5.18588 -34.62888 57.33570 1.000 31.62562 ? 18 PRO Z CB 1 ATOM 3134 C CG . PRO C 2 39 ? -6.00117 -35.74065 57.91862 1.000 30.12774 ? 18 PRO Z CG 1 ATOM 3135 C CD . PRO C 2 39 ? -6.77476 -36.34130 56.77927 1.000 29.97088 ? 18 PRO Z CD 1 ATOM 3136 H HA . PRO C 2 39 ? -6.54812 -33.31801 56.48105 1.000 37.67802 ? 18 PRO Z HA 1 ATOM 3137 H HB2 . PRO C 2 39 ? -4.33892 -34.95883 56.99704 1.000 37.94752 ? 18 PRO Z HB2 1 ATOM 3138 H HB3 . PRO C 2 39 ? -5.03177 -33.92991 57.99037 1.000 37.94752 ? 18 PRO Z HB3 1 ATOM 3139 H HG2 . PRO C 2 39 ? -5.41271 -36.40062 58.31744 1.000 36.15006 ? 18 PRO Z HG2 1 ATOM 3140 H HG3 . PRO C 2 39 ? -6.60356 -35.38432 58.59022 1.000 36.15006 ? 18 PRO Z HG3 1 ATOM 3141 H HD2 . PRO C 2 39 ? -6.28070 -37.06909 56.37046 1.000 35.96182 ? 18 PRO Z HD2 1 ATOM 3142 H HD3 . PRO C 2 39 ? -7.64266 -36.65570 57.07726 1.000 35.96182 ? 18 PRO Z HD3 1 ATOM 3143 N N . GLY C 2 40 ? -5.00838 -32.40891 54.77680 1.000 32.73831 ? 19 GLY Z N 1 ATOM 3144 C CA . GLY C 2 40 ? -4.24305 -31.91119 53.65635 1.000 32.09516 ? 19 GLY Z CA 1 ATOM 3145 C C . GLY C 2 40 ? -5.01948 -31.72068 52.37389 1.000 30.11169 ? 19 GLY Z C 1 ATOM 3146 O O . GLY C 2 40 ? -4.48989 -31.12469 51.42715 1.000 31.84707 ? 19 GLY Z O 1 ATOM 3147 H H . GLY C 2 40 ? -5.33508 -31.79263 55.27987 1.000 39.28275 ? 19 GLY Z H 1 ATOM 3148 H HA2 . GLY C 2 40 ? -3.86307 -31.05250 53.89960 1.000 38.51096 ? 19 GLY Z HA2 1 ATOM 3149 H HA3 . GLY C 2 40 ? -3.52293 -32.53479 53.47348 1.000 38.51096 ? 19 GLY Z HA3 1 ATOM 3150 N N . GLU C 2 41 ? -6.24063 -32.20368 52.30123 1.000 27.70058 ? 20 GLU Z N 1 ATOM 3151 C CA . GLU C 2 41 ? -7.12051 -31.92854 51.17023 1.000 25.60021 ? 20 GLU Z CA 1 ATOM 3152 C C . GLU C 2 41 ? -8.15938 -30.94516 51.68116 1.000 24.63641 ? 20 GLU Z C 1 ATOM 3153 O O . GLU C 2 41 ? -9.12659 -31.33656 52.33371 1.000 25.46778 ? 20 GLU Z O 1 ATOM 3154 C CB . GLU C 2 41 ? -7.73902 -33.21139 50.64534 1.000 26.23275 ? 20 GLU Z CB 1 ATOM 3155 C CG . GLU C 2 41 ? -6.69089 -34.13200 50.08557 1.000 29.92301 ? 20 GLU Z CG 1 ATOM 3156 C CD . GLU C 2 41 ? -7.25375 -35.38725 49.49475 1.000 32.94192 ? 20 GLU Z CD 1 ATOM 3157 O OE1 . GLU C 2 41 ? -8.47486 -35.44969 49.29720 1.000 34.59751 ? 20 GLU Z OE1 1 ATOM 3158 O OE2 . GLU C 2 41 ? -6.47164 -36.32302 49.22425 1.000 37.30114 -1 20 GLU Z OE2 1 ATOM 3159 H H . GLU C 2 41 ? -6.59554 -32.70433 52.90372 1.000 33.23747 ? 20 GLU Z H 1 ATOM 3160 H HA . GLU C 2 41 ? -6.63350 -31.52402 50.43533 1.000 30.71702 ? 20 GLU Z HA 1 ATOM 3161 H HB2 . GLU C 2 41 ? -8.19389 -33.66883 51.36973 1.000 31.47607 ? 20 GLU Z HB2 1 ATOM 3162 H HB3 . GLU C 2 41 ? -8.36942 -32.99896 49.93939 1.000 31.47607 ? 20 GLU Z HB3 1 ATOM 3163 H HG2 . GLU C 2 41 ? -6.20587 -33.66631 49.38643 1.000 35.90439 ? 20 GLU Z HG2 1 ATOM 3164 H HG3 . GLU C 2 41 ? -6.08366 -34.38560 50.79821 1.000 35.90439 ? 20 GLU Z HG3 1 ATOM 3165 N N . ASN C 2 42 ? -7.96010 -29.66466 51.38864 1.000 23.83155 ? 21 ASN Z N 1 ATOM 3166 C CA . ASN C 2 42 ? -8.78623 -28.61548 51.96202 1.000 24.01771 ? 21 ASN Z CA 1 ATOM 3167 C C . ASN C 2 42 ? -9.66475 -27.94389 50.93228 1.000 22.65779 ? 21 ASN Z C 1 ATOM 3168 O O . ASN C 2 42 ? -10.23725 -26.88896 51.22138 1.000 23.38802 ? 21 ASN Z O 1 ATOM 3169 C CB . ASN C 2 42 ? -7.91838 -27.59338 52.69446 1.000 26.28592 ? 21 ASN Z CB 1 ATOM 3170 C CG . ASN C 2 42 ? -7.22838 -28.19552 53.89129 1.000 28.38356 ? 21 ASN Z CG 1 ATOM 3171 O OD1 . ASN C 2 42 ? -7.87157 -28.79760 54.76678 1.000 30.61382 ? 21 ASN Z OD1 1 ATOM 3172 N ND2 . ASN C 2 42 ? -5.91881 -28.05035 53.93726 1.000 30.57119 ? 21 ASN Z ND2 1 ATOM 3173 H H . ASN C 2 42 ? -7.34760 -29.37930 50.85664 1.000 28.59463 ? 21 ASN Z H 1 ATOM 3174 H HA . ASN C 2 42 ? -9.37510 -29.01156 52.62327 1.000 28.81802 ? 21 ASN Z HA 1 ATOM 3175 H HB2 . ASN C 2 42 ? -7.23856 -27.25920 52.08860 1.000 31.53988 ? 21 ASN Z HB2 1 ATOM 3176 H HB3 . ASN C 2 42 ? -8.47687 -26.86241 53.00214 1.000 31.53988 ? 21 ASN Z HB3 1 ATOM 3177 H HD21 . ASN C 2 42 ? -5.47320 -28.37413 54.59771 1.000 36.68220 ? 21 ASN Z HD21 1 ATOM 3178 H HD22 . ASN C 2 42 ? -5.51018 -27.63188 53.30678 1.000 36.68220 ? 21 ASN Z HD22 1 ATOM 3179 N N . LEU C 2 43 ? -9.79895 -28.54200 49.74962 1.000 21.49127 ? 22 LEU Z N 1 ATOM 3180 C CA . LEU C 2 43 ? -10.68717 -28.03360 48.72926 1.000 20.59325 ? 22 LEU Z CA 1 ATOM 3181 C C . LEU C 2 43 ? -11.69742 -29.09603 48.34655 1.000 18.30554 ? 22 LEU Z C 1 ATOM 3182 O O . LEU C 2 43 ? -11.40132 -30.28514 48.35587 1.000 18.26445 ? 22 LEU Z O 1 ATOM 3183 C CB . LEU C 2 43 ? -9.90783 -27.70219 47.45566 1.000 23.46123 ? 22 LEU Z CB 1 ATOM 3184 C CG . LEU C 2 43 ? -8.85362 -26.61133 47.49158 1.000 29.10733 ? 22 LEU Z CG 1 ATOM 3185 C CD1 . LEU C 2 43 ? -8.04014 -26.63091 46.20377 1.000 27.90923 ? 22 LEU Z CD1 1 ATOM 3186 C CD2 . LEU C 2 43 ? -9.51904 -25.26048 47.69446 1.000 35.36504 ? 22 LEU Z CD2 1 ATOM 3187 H H . LEU C 2 43 ? -9.37562 -29.25438 49.51962 1.000 25.78629 ? 22 LEU Z H 1 ATOM 3188 H HA . LEU C 2 43 ? -11.14021 -27.24796 49.07338 1.000 24.70867 ? 22 LEU Z HA 1 ATOM 3189 H HB2 . LEU C 2 43 ? -9.45282 -28.51196 47.17613 1.000 28.15025 ? 22 LEU Z HB2 1 ATOM 3190 H HB3 . LEU C 2 43 ? -10.55349 -27.43531 46.78276 1.000 28.15025 ? 22 LEU Z HB3 1 ATOM 3191 H HG . LEU C 2 43 ? -8.24460 -26.76213 48.23135 1.000 34.92556 ? 22 LEU Z HG 1 ATOM 3192 H HD11 . LEU C 2 43 ? -7.37554 -25.92526 46.23930 1.000 33.48785 ? 22 LEU Z HD11 1 ATOM 3193 H HD12 . LEU C 2 43 ? -7.60326 -27.49282 46.11928 1.000 33.48785 ? 22 LEU Z HD12 1 ATOM 3194 H HD13 . LEU C 2 43 ? -8.63571 -26.48681 45.45182 1.000 33.48785 ? 22 LEU Z HD13 1 ATOM 3195 H HD21 . LEU C 2 43 ? -8.83458 -24.57446 47.73681 1.000 42.43482 ? 22 LEU Z HD21 1 ATOM 3196 H HD22 . LEU C 2 43 ? -10.11544 -25.08714 46.94937 1.000 42.43482 ? 22 LEU Z HD22 1 ATOM 3197 H HD23 . LEU C 2 43 ? -10.02200 -25.27756 48.52370 1.000 42.43482 ? 22 LEU Z HD23 1 ATOM 3198 N N . CYS C 2 44 ? -12.87522 -28.64589 47.95530 1.000 16.92905 ? 23 CYS Z N 1 ATOM 3199 C CA . CYS C 2 44 ? -13.80893 -29.46899 47.21603 1.000 16.00728 ? 23 CYS Z CA 1 ATOM 3200 C C . CYS C 2 44 ? -13.65977 -29.14401 45.73800 1.000 17.04626 ? 23 CYS Z C 1 ATOM 3201 O O . CYS C 2 44 ? -13.33058 -28.02063 45.36399 1.000 18.38422 ? 23 CYS Z O 1 ATOM 3202 C CB . CYS C 2 44 ? -15.26136 -29.15766 47.60462 1.000 16.75716 ? 23 CYS Z CB 1 ATOM 3203 S SG . CYS C 2 44 ? -15.63282 -29.24033 49.36674 1.000 17.86693 ? 23 CYS Z SG 1 ATOM 3204 H H . CYS C 2 44 ? -13.16144 -27.84980 48.10996 1.000 20.31163 ? 23 CYS Z H 1 ATOM 3205 H HA . CYS C 2 44 ? -13.62945 -30.40487 47.39720 1.000 19.20551 ? 23 CYS Z HA 1 ATOM 3206 H HB2 . CYS C 2 44 ? -15.46946 -28.25779 47.30824 1.000 20.10536 ? 23 CYS Z HB2 1 ATOM 3207 H HB3 . CYS C 2 44 ? -15.83934 -29.79599 47.15811 1.000 20.10536 ? 23 CYS Z HB3 1 ATOM 3208 N N . TYR C 2 45 ? -13.89655 -30.13028 44.89845 1.000 16.28888 ? 24 TYR Z N 1 ATOM 3209 C CA . TYR C 2 45 ? -13.89047 -29.87794 43.46686 1.000 16.78304 ? 24 TYR Z CA 1 ATOM 3210 C C . TYR C 2 45 ? -15.11034 -30.46296 42.77626 1.000 16.23080 ? 24 TYR Z C 1 ATOM 3211 O O . TYR C 2 45 ? -15.75678 -31.39778 43.25595 1.000 15.38300 ? 24 TYR Z O 1 ATOM 3212 C CB . TYR C 2 45 ? -12.63401 -30.43926 42.79418 1.000 16.77776 ? 24 TYR Z CB 1 ATOM 3213 C CG . TYR C 2 45 ? -12.62148 -31.93411 42.61873 1.000 17.41017 ? 24 TYR Z CG 1 ATOM 3214 C CD1 . TYR C 2 45 ? -13.17582 -32.52533 41.49237 1.000 18.54334 ? 24 TYR Z CD1 1 ATOM 3215 C CD2 . TYR C 2 45 ? -12.04532 -32.77385 43.56837 1.000 17.66879 ? 24 TYR Z CD2 1 ATOM 3216 C CE1 . TYR C 2 45 ? -13.16758 -33.89829 41.31784 1.000 18.92931 ? 24 TYR Z CE1 1 ATOM 3217 C CE2 . TYR C 2 45 ? -12.01889 -34.15405 43.39656 1.000 18.18274 ? 24 TYR Z CE2 1 ATOM 3218 C CZ . TYR C 2 45 ? -12.58354 -34.71392 42.25794 1.000 19.20610 ? 24 TYR Z CZ 1 ATOM 3219 O OH . TYR C 2 45 ? -12.58582 -36.07042 42.06214 1.000 21.56023 ? 24 TYR Z OH 1 ATOM 3220 H H . TYR C 2 45 ? -14.06119 -30.94293 45.12669 1.000 19.54343 ? 24 TYR Z H 1 ATOM 3221 H HA . TYR C 2 45 ? -13.92514 -28.91548 43.35124 1.000 20.13642 ? 24 TYR Z HA 1 ATOM 3222 H HB2 . TYR C 2 45 ? -12.55401 -30.04220 41.91280 1.000 20.13008 ? 24 TYR Z HB2 1 ATOM 3223 H HB3 . TYR C 2 45 ? -11.86438 -30.20339 43.33542 1.000 20.13008 ? 24 TYR Z HB3 1 ATOM 3224 H HD1 . TYR C 2 45 ? -13.56172 -31.98668 40.83981 1.000 22.24878 ? 24 TYR Z HD1 1 ATOM 3225 H HD2 . TYR C 2 45 ? -11.66983 -32.40377 44.33450 1.000 21.19932 ? 24 TYR Z HD2 1 ATOM 3226 H HE1 . TYR C 2 45 ? -13.55900 -34.27092 40.56098 1.000 22.71194 ? 24 TYR Z HE1 1 ATOM 3227 H HE2 . TYR C 2 45 ? -11.62565 -34.69833 44.04001 1.000 21.81606 ? 24 TYR Z HE2 1 ATOM 3228 H HH . TYR C 2 45 ? -13.28610 -36.40578 42.38267 1.000 25.86905 ? 24 TYR Z HH 1 ATOM 3229 N N . ARG C 2 46 ? -15.38018 -29.90875 41.60083 1.000 15.79318 ? 25 ARG Z N 1 ATOM 3230 C CA . ARG C 2 46 ? -16.36039 -30.44827 40.67795 1.000 17.04589 ? 25 ARG Z CA 1 ATOM 3231 C C . ARG C 2 46 ? -15.74551 -30.40132 39.28705 1.000 16.72369 ? 25 ARG Z C 1 ATOM 3232 O O . ARG C 2 46 ? -15.27877 -29.34633 38.85164 1.000 18.40614 ? 25 ARG Z O 1 ATOM 3233 C CB . ARG C 2 46 ? -17.62795 -29.61078 40.67158 1.000 17.77708 ? 25 ARG Z CB 1 ATOM 3234 C CG . ARG C 2 46 ? -18.66796 -30.11765 39.69421 1.000 19.87130 ? 25 ARG Z CG 1 ATOM 3235 C CD . ARG C 2 46 ? -20.02898 -29.53976 40.02786 1.000 28.17377 ? 25 ARG Z CD 1 ATOM 3236 N NE . ARG C 2 46 ? -20.12590 -28.11082 39.79736 1.000 37.86613 ? 25 ARG Z NE 1 ATOM 3237 C CZ . ARG C 2 46 ? -20.76066 -27.26332 40.59588 1.000 51.32590 ? 25 ARG Z CZ 1 ATOM 3238 N NH1 . ARG C 2 46 ? -21.16626 -27.62456 41.81011 1.000 52.14878 ? 25 ARG Z NH1 1 ATOM 3239 N NH2 . ARG C 2 46 ? -21.01185 -26.02779 40.16067 1.000 52.94878 ? 25 ARG Z NH2 1 ATOM 3240 H H . ARG C 2 46 ? -14.99488 -29.19742 41.30901 1.000 18.94858 ? 25 ARG Z H 1 ATOM 3241 H HA . ARG C 2 46 ? -16.58527 -31.35910 40.92436 1.000 20.45183 ? 25 ARG Z HA 1 ATOM 3242 H HB2 . ARG C 2 46 ? -18.01912 -29.62534 41.55909 1.000 21.32927 ? 25 ARG Z HB2 1 ATOM 3243 H HB3 . ARG C 2 46 ? -17.40244 -28.70061 40.42332 1.000 21.32927 ? 25 ARG Z HB3 1 ATOM 3244 H HG2 . ARG C 2 46 ? -18.42853 -29.84689 38.79406 1.000 23.84233 ? 25 ARG Z HG2 1 ATOM 3245 H HG3 . ARG C 2 46 ? -18.72058 -31.08479 39.74681 1.000 23.84233 ? 25 ARG Z HG3 1 ATOM 3246 H HD2 . ARG C 2 46 ? -20.69758 -29.97474 39.47590 1.000 33.80530 ? 25 ARG Z HD2 1 ATOM 3247 H HD3 . ARG C 2 46 ? -20.21646 -29.70179 40.96568 1.000 33.80530 ? 25 ARG Z HD3 1 ATOM 3248 H HE . ARG C 2 46 ? -19.74586 -27.79152 39.09506 1.000 45.43613 ? 25 ARG Z HE 1 ATOM 3249 H HH11 . ARG C 2 46 ? -21.01844 -28.42315 42.09296 1.000 62.57530 ? 25 ARG Z HH11 1 ATOM 3250 H HH12 . ARG C 2 46 ? -21.57632 -27.05953 42.31229 1.000 62.57530 ? 25 ARG Z HH12 1 ATOM 3251 H HH21 . ARG C 2 46 ? -20.76296 -25.79066 39.37236 1.000 63.53530 ? 25 ARG Z HH21 1 ATOM 3252 H HH22 . ARG C 2 46 ? -21.42269 -25.46827 40.66836 1.000 63.53530 ? 25 ARG Z HH22 1 ATOM 3253 N N . LYS C 2 47 ? -15.73287 -31.53944 38.60551 1.000 17.01352 ? 26 LYS Z N 1 ATOM 3254 C CA . LYS C 2 47 ? -15.36029 -31.61759 37.20702 1.000 17.76858 ? 26 LYS Z CA 1 ATOM 3255 C C . LYS C 2 47 ? -16.60093 -31.99271 36.41248 1.000 17.94482 ? 26 LYS Z C 1 ATOM 3256 O O . LYS C 2 47 ? -17.37826 -32.85512 36.82891 1.000 18.81327 ? 26 LYS Z O 1 ATOM 3257 C CB . LYS C 2 47 ? -14.34519 -32.74260 36.97466 1.000 23.14352 ? 26 LYS Z CB 1 ATOM 3258 C CG . LYS C 2 47 ? -13.03448 -32.65431 37.71177 1.000 28.87883 ? 26 LYS Z CG 1 ATOM 3259 C CD . LYS C 2 47 ? -12.15482 -33.84643 37.30432 1.000 35.16030 ? 26 LYS Z CD 1 ATOM 3260 C CE . LYS C 2 47 ? -11.03073 -34.09630 38.30109 1.000 42.99280 ? 26 LYS Z CE 1 ATOM 3261 N NZ . LYS C 2 47 ? -10.45474 -35.48522 38.23371 1.000 44.37573 ? 26 LYS Z NZ 1 ATOM 3262 H H . LYS C 2 47 ? -15.94326 -32.30094 38.94531 1.000 20.41300 ? 26 LYS Z H 1 ATOM 3263 H HA . LYS C 2 47 ? -14.98901 -30.76859 36.92024 1.000 21.31907 ? 26 LYS Z HA 1 ATOM 3264 H HB2 . LYS C 2 47 ? -14.76064 -33.57809 37.23969 1.000 27.76900 ? 26 LYS Z HB2 1 ATOM 3265 H HB3 . LYS C 2 47 ? -14.13420 -32.76261 36.02810 1.000 27.76900 ? 26 LYS Z HB3 1 ATOM 3266 H HG2 . LYS C 2 47 ? -12.57812 -31.83068 37.47882 1.000 34.65137 ? 26 LYS Z HG2 1 ATOM 3267 H HG3 . LYS C 2 47 ? -13.18949 -32.68850 38.66869 1.000 34.65137 ? 26 LYS Z HG3 1 ATOM 3268 H HD2 . LYS C 2 47 ? -12.70211 -34.64601 37.25917 1.000 42.18913 ? 26 LYS Z HD2 1 ATOM 3269 H HD3 . LYS C 2 47 ? -11.75656 -33.66765 36.43810 1.000 42.18913 ? 26 LYS Z HD3 1 ATOM 3270 H HE2 . LYS C 2 47 ? -10.31165 -33.46982 38.12401 1.000 51.58813 ? 26 LYS Z HE2 1 ATOM 3271 H HE3 . LYS C 2 47 ? -11.37389 -33.96245 39.19843 1.000 51.58813 ? 26 LYS Z HE3 1 ATOM 3272 H HZ1 . LYS C 2 47 ? -9.82881 -35.58581 38.85836 1.000 53.24764 ? 26 LYS Z HZ1 1 ATOM 3273 H HZ2 . LYS C 2 47 ? -11.09607 -36.08755 38.36783 1.000 53.24764 ? 26 LYS Z HZ2 1 ATOM 3274 H HZ3 . LYS C 2 47 ? -10.08987 -35.62498 37.43406 1.000 53.24764 ? 26 LYS Z HZ3 1 ATOM 3275 N N . MET C 2 48 ? -16.73290 -31.41499 35.23562 1.000 17.94581 ? 27 MET Z N 1 ATOM 3276 C CA . MET C 2 48 ? -17.83269 -31.78776 34.35472 1.000 18.85251 ? 27 MET Z CA 1 ATOM 3277 C C . MET C 2 48 ? -17.36191 -31.86968 32.91379 1.000 18.60538 ? 27 MET Z C 1 ATOM 3278 O O . MET C 2 48 ? -16.53780 -31.06784 32.46272 1.000 19.97371 ? 27 MET Z O 1 ATOM 3279 C CB . MET C 2 48 ? -18.97720 -30.78230 34.42016 1.000 21.52763 ? 27 MET Z CB 1 ATOM 3280 C CG . MET C 2 48 ? -19.54963 -30.65098 35.82168 1.000 25.66464 ? 27 MET Z CG 1 ATOM 3281 S SD . MET C 2 48 ? -21.10859 -29.75423 35.93337 1.000 31.48102 ? 27 MET Z SD 1 ATOM 3282 C CE . MET C 2 48 ? -20.54333 -28.10641 35.62088 1.000 31.85726 ? 27 MET Z CE 1 ATOM 3283 H H . MET C 2 48 ? -16.20688 -30.81047 34.92345 1.000 21.53174 ? 27 MET Z H 1 ATOM 3284 H HA . MET C 2 48 ? -18.14976 -32.65941 34.63862 1.000 22.61978 ? 27 MET Z HA 1 ATOM 3285 H HB2 . MET C 2 48 ? -18.65097 -29.91155 34.14399 1.000 25.82993 ? 27 MET Z HB2 1 ATOM 3286 H HB3 . MET C 2 48 ? -19.68911 -31.07272 33.82877 1.000 25.82993 ? 27 MET Z HB3 1 ATOM 3287 H HG2 . MET C 2 48 ? -19.70189 -31.54131 36.17529 1.000 30.79434 ? 27 MET Z HG2 1 ATOM 3288 H HG3 . MET C 2 48 ? -18.90505 -30.18070 36.37327 1.000 30.79434 ? 27 MET Z HG3 1 ATOM 3289 H HE1 . MET C 2 48 ? -21.29930 -27.50003 35.66234 1.000 38.22548 ? 27 MET Z HE1 1 ATOM 3290 H HE2 . MET C 2 48 ? -19.88790 -27.86444 36.29376 1.000 38.22548 ? 27 MET Z HE2 1 ATOM 3291 H HE3 . MET C 2 48 ? -20.14021 -28.07269 34.73926 1.000 38.22548 ? 27 MET Z HE3 1 ATOM 3292 N N . TRP C 2 49 ? -17.94047 -32.82446 32.19835 1.000 17.19685 ? 28 TRP Z N 1 ATOM 3293 C CA . TRP C 2 49 ? -17.62789 -33.00291 30.78589 1.000 16.96883 ? 28 TRP Z CA 1 ATOM 3294 C C . TRP C 2 49 ? -18.78160 -33.74072 30.12185 1.000 16.27236 ? 28 TRP Z C 1 ATOM 3295 O O . TRP C 2 49 ? -19.61780 -34.34550 30.78726 1.000 18.35512 ? 28 TRP Z O 1 ATOM 3296 C CB . TRP C 2 49 ? -16.31462 -33.77993 30.59630 1.000 18.05152 ? 28 TRP Z CB 1 ATOM 3297 C CG . TRP C 2 49 ? -16.36654 -35.20472 31.11879 1.000 18.72500 ? 28 TRP Z CG 1 ATOM 3298 C CD1 . TRP C 2 49 ? -16.72410 -36.31765 30.41599 1.000 19.83518 ? 28 TRP Z CD1 1 ATOM 3299 C CD2 . TRP C 2 49 ? -16.07234 -35.65192 32.46048 1.000 18.94746 ? 28 TRP Z CD2 1 ATOM 3300 N NE1 . TRP C 2 49 ? -16.67093 -37.42948 31.23544 1.000 20.97931 ? 28 TRP Z NE1 1 ATOM 3301 C CE2 . TRP C 2 49 ? -16.25950 -37.05335 32.48587 1.000 19.33471 ? 28 TRP Z CE2 1 ATOM 3302 C CE3 . TRP C 2 49 ? -15.65190 -35.00929 33.61128 1.000 19.87634 ? 28 TRP Z CE3 1 ATOM 3303 C CZ2 . TRP C 2 49 ? -16.04239 -37.81468 33.61079 1.000 20.87015 ? 28 TRP Z CZ2 1 ATOM 3304 C CZ3 . TRP C 2 49 ? -15.45480 -35.76579 34.75422 1.000 20.10596 ? 28 TRP Z CZ3 1 ATOM 3305 C CH2 . TRP C 2 49 ? -15.64805 -37.15147 34.74664 1.000 20.37217 ? 28 TRP Z CH2 1 ATOM 3306 H H . TRP C 2 49 ? -18.51764 -33.38255 32.50659 1.000 20.63299 ? 28 TRP Z H 1 ATOM 3307 H HA . TRP C 2 49 ? -17.53518 -32.13425 30.36430 1.000 20.35936 ? 28 TRP Z HA 1 ATOM 3308 H HB2 . TRP C 2 49 ? -16.10928 -33.81922 29.64910 1.000 21.65859 ? 28 TRP Z HB2 1 ATOM 3309 H HB3 . TRP C 2 49 ? -15.60658 -33.31636 31.07031 1.000 21.65859 ? 28 TRP Z HB3 1 ATOM 3310 H HD1 . TRP C 2 49 ? -16.96758 -36.32701 29.51847 1.000 23.79899 ? 28 TRP Z HD1 1 ATOM 3311 H HE1 . TRP C 2 49 ? -16.86591 -38.23243 30.99697 1.000 25.17194 ? 28 TRP Z HE1 1 ATOM 3312 H HE3 . TRP C 2 49 ? -15.50512 -34.09096 33.61710 1.000 23.84838 ? 28 TRP Z HE3 1 ATOM 3313 H HZ2 . TRP C 2 49 ? -16.15755 -38.73748 33.60240 1.000 25.04095 ? 28 TRP Z HZ2 1 ATOM 3314 H HZ3 . TRP C 2 49 ? -15.18944 -35.34561 35.54031 1.000 24.12392 ? 28 TRP Z HZ3 1 ATOM 3315 H HH2 . TRP C 2 49 ? -15.50620 -37.63436 35.52869 1.000 24.44337 ? 28 TRP Z HH2 1 ATOM 3316 N N . CYS C 2 50 ? -18.80998 -33.71564 28.78771 1.000 17.95076 ? 29 CYS Z N 1 ATOM 3317 C CA . CYS C 2 50 ? -19.83996 -34.43310 28.04861 1.000 18.36238 ? 29 CYS Z CA 1 ATOM 3318 C C . CYS C 2 50 ? -19.34658 -35.80336 27.59951 1.000 18.84682 ? 29 CYS Z C 1 ATOM 3319 O O . CYS C 2 50 ? -18.20041 -35.96109 27.16858 1.000 20.19324 ? 29 CYS Z O 1 ATOM 3320 C CB . CYS C 2 50 ? -20.25600 -33.66554 26.78703 1.000 19.43533 ? 29 CYS Z CB 1 ATOM 3321 S SG . CYS C 2 50 ? -21.48488 -32.37064 27.03362 1.000 21.64489 ? 29 CYS Z SG 1 ATOM 3322 H H . CYS C 2 50 ? -18.24579 -33.29202 28.29594 1.000 21.53769 ? 29 CYS Z H 1 ATOM 3323 H HA . CYS C 2 50 ? -20.59968 -34.54173 28.64184 1.000 22.03163 ? 29 CYS Z HA 1 ATOM 3324 H HB2 . CYS C 2 50 ? -19.46622 -33.24587 26.41150 1.000 23.31916 ? 29 CYS Z HB2 1 ATOM 3325 H HB3 . CYS C 2 50 ? -20.62787 -34.29921 26.15372 1.000 23.31916 ? 29 CYS Z HB3 1 ATOM 3326 H HG . CYS C 2 50 ? -20.93539 -31.30388 27.02541 1.000 25.97064 ? 29 CYS Z HG 1 ATOM 3327 N N . ASP C 2 51 ? -20.21623 -36.78179 27.66284 1.000 19.85234 ? 30 ASP Z N 1 ATOM 3328 C CA . ASP C 2 51 ? -20.05883 -38.01211 26.89649 1.000 21.16695 ? 30 ASP Z CA 1 ATOM 3329 C C . ASP C 2 51 ? -21.16018 -38.04521 25.83003 1.000 21.57670 ? 30 ASP Z C 1 ATOM 3330 O O . ASP C 2 51 ? -21.87583 -37.06142 25.61435 1.000 20.82987 ? 30 ASP Z O 1 ATOM 3331 C CB . ASP C 2 51 ? -19.99942 -39.25326 27.80146 1.000 21.24705 ? 30 ASP Z CB 1 ATOM 3332 C CG . ASP C 2 51 ? -21.35379 -39.70292 28.31726 1.000 20.13747 ? 30 ASP Z CG 1 ATOM 3333 O OD1 . ASP C 2 51 ? -22.40967 -39.07839 28.05167 1.000 19.62106 ? 30 ASP Z OD1 1 ATOM 3334 O OD2 . ASP C 2 51 ? -21.36894 -40.73932 29.03197 1.000 21.91291 -1 30 ASP Z OD2 1 ATOM 3335 H H . ASP C 2 51 ? -20.92407 -36.76426 28.15095 1.000 23.81958 ? 30 ASP Z H 1 ATOM 3336 H HA . ASP C 2 51 ? -19.19937 -38.01062 26.44679 1.000 25.39711 ? 30 ASP Z HA 1 ATOM 3337 H HB2 . ASP C 2 51 ? -19.61656 -39.98842 27.29762 1.000 25.49324 ? 30 ASP Z HB2 1 ATOM 3338 H HB3 . ASP C 2 51 ? -19.44276 -39.05236 28.57001 1.000 25.49324 ? 30 ASP Z HB3 1 ATOM 3339 N N . ALA C 2 52 ? -21.28032 -39.17582 25.13821 1.000 21.70814 ? 31 ALA Z N 1 ATOM 3340 C CA . ALA C 2 52 ? -22.20009 -39.25111 24.00696 1.000 24.04753 ? 31 ALA Z CA 1 ATOM 3341 C C . ALA C 2 52 ? -23.64874 -38.98486 24.40081 1.000 22.37507 ? 31 ALA Z C 1 ATOM 3342 O O . ALA C 2 52 ? -24.46685 -38.65943 23.53268 1.000 25.31821 ? 31 ALA Z O 1 ATOM 3343 C CB . ALA C 2 52 ? -22.08264 -40.62311 23.33807 1.000 24.33876 ? 31 ALA Z CB 1 ATOM 3344 H H . ALA C 2 52 ? -20.84820 -39.90150 25.30024 1.000 26.04653 ? 31 ALA Z H 1 ATOM 3345 H HA . ALA C 2 52 ? -21.94929 -38.57200 23.36135 1.000 28.85380 ? 31 ALA Z HA 1 ATOM 3346 H HB1 . ALA C 2 52 ? -22.61009 -40.62376 22.52401 1.000 29.20328 ? 31 ALA Z HB1 1 ATOM 3347 H HB2 . ALA C 2 52 ? -21.15098 -40.79365 23.12871 1.000 29.20328 ? 31 ALA Z HB2 1 ATOM 3348 H HB3 . ALA C 2 52 ? -22.41416 -41.30100 23.94755 1.000 29.20328 ? 31 ALA Z HB3 1 ATOM 3349 N N . PHE C 2 53 ? -23.99082 -39.13066 25.67740 1.000 20.65717 ? 32 PHE Z N 1 ATOM 3350 C CA . PHE C 2 53 ? -25.34843 -38.92034 26.16027 1.000 20.14174 ? 32 PHE Z CA 1 ATOM 3351 C C . PHE C 2 53 ? -25.55643 -37.54173 26.75630 1.000 18.24952 ? 32 PHE Z C 1 ATOM 3352 O O . PHE C 2 53 ? -26.58033 -37.29590 27.39990 1.000 18.91973 ? 32 PHE Z O 1 ATOM 3353 C CB . PHE C 2 53 ? -25.71555 -40.03931 27.12516 1.000 22.58907 ? 32 PHE Z CB 1 ATOM 3354 C CG . PHE C 2 53 ? -25.84755 -41.37209 26.44774 1.000 24.71142 ? 32 PHE Z CG 1 ATOM 3355 C CD1 . PHE C 2 53 ? -26.97675 -41.65533 25.68822 1.000 26.83608 ? 32 PHE Z CD1 1 ATOM 3356 C CD2 . PHE C 2 53 ? -24.84457 -42.32643 26.54274 1.000 26.35985 ? 32 PHE Z CD2 1 ATOM 3357 C CE1 . PHE C 2 53 ? -27.12326 -42.86937 25.05439 1.000 28.43201 ? 32 PHE Z CE1 1 ATOM 3358 C CE2 . PHE C 2 53 ? -24.98648 -43.56226 25.87413 1.000 27.47742 ? 32 PHE Z CE2 1 ATOM 3359 C CZ . PHE C 2 53 ? -26.12140 -43.81997 25.14312 1.000 30.22387 ? 32 PHE Z CZ 1 ATOM 3360 H H . PHE C 2 53 ? -23.43897 -39.35661 26.29709 1.000 24.78537 ? 32 PHE Z H 1 ATOM 3361 H HA . PHE C 2 53 ? -25.97378 -38.97456 25.42075 1.000 24.16686 ? 32 PHE Z HA 1 ATOM 3362 H HB2 . PHE C 2 53 ? -25.02328 -40.11330 27.80058 1.000 27.10365 ? 32 PHE Z HB2 1 ATOM 3363 H HB3 . PHE C 2 53 ? -26.56551 -39.82956 27.54285 1.000 27.10365 ? 32 PHE Z HB3 1 ATOM 3364 H HD1 . PHE C 2 53 ? -27.64509 -41.01381 25.60659 1.000 32.20007 ? 32 PHE Z HD1 1 ATOM 3365 H HD2 . PHE C 2 53 ? -24.08143 -42.15274 27.04509 1.000 31.62860 ? 32 PHE Z HD2 1 ATOM 3366 H HE1 . PHE C 2 53 ? -27.89462 -43.05010 24.56731 1.000 34.11518 ? 32 PHE Z HE1 1 ATOM 3367 H HE2 . PHE C 2 53 ? -24.31269 -44.20098 25.92843 1.000 32.96968 ? 32 PHE Z HE2 1 ATOM 3368 H HZ . PHE C 2 53 ? -26.21643 -44.63571 24.70673 1.000 36.26541 ? 32 PHE Z HZ 1 ATOM 3369 N N . CYS C 2 54 ? -24.63700 -36.61955 26.51013 1.000 18.99737 ? 33 CYS Z N 1 ATOM 3370 C CA . CYS C 2 54 ? -24.79679 -35.28372 27.07008 1.000 19.69670 ? 33 CYS Z CA 1 ATOM 3371 C C . CYS C 2 54 ? -26.11640 -34.65868 26.64594 1.000 19.49018 ? 33 CYS Z C 1 ATOM 3372 O O . CYS C 2 54 ? -26.76338 -33.95701 27.43007 1.000 19.48811 ? 33 CYS Z O 1 ATOM 3373 C CB . CYS C 2 54 ? -23.62105 -34.41125 26.65845 1.000 18.46511 ? 33 CYS Z CB 1 ATOM 3374 S SG . CYS C 2 54 ? -23.07687 -33.30952 27.95787 1.000 19.63942 ? 33 CYS Z SG 1 ATOM 3375 H H . CYS C 2 54 ? -23.92961 -36.73616 26.03516 1.000 22.79361 ? 33 CYS Z H 1 ATOM 3376 H HA . CYS C 2 54 ? -24.80127 -35.34356 28.03822 1.000 23.63281 ? 33 CYS Z HA 1 ATOM 3377 H HB2 . CYS C 2 54 ? -22.87467 -34.98238 26.41843 1.000 22.15490 ? 33 CYS Z HB2 1 ATOM 3378 H HB3 . CYS C 2 54 ? -23.88269 -33.86985 25.89731 1.000 22.15490 ? 33 CYS Z HB3 1 ATOM 3379 H HG . CYS C 2 54 ? -23.89480 -32.44371 28.10403 1.000 23.56407 ? 33 CYS Z HG 1 ATOM 3380 N N . SER C 2 55 ? -26.55194 -34.92994 25.41884 1.000 19.85030 ? 34 SER Z N 1 ATOM 3381 C CA . SER C 2 55 ? -27.76244 -34.31617 24.89411 1.000 20.23519 ? 34 SER Z CA 1 ATOM 3382 C C . SER C 2 55 ? -29.03894 -34.84585 25.54180 1.000 20.29280 ? 34 SER Z C 1 ATOM 3383 O O . SER C 2 55 ? -30.12177 -34.31169 25.26010 1.000 22.17856 ? 34 SER Z O 1 ATOM 3384 C CB . SER C 2 55 ? -27.82430 -34.53175 23.37772 1.000 21.97116 ? 34 SER Z CB 1 ATOM 3385 O OG . SER C 2 55 ? -27.85564 -35.92770 23.08811 1.000 23.99577 ? 34 SER Z OG 1 ATOM 3386 H H . SER C 2 55 ? -26.16283 -35.46676 24.87109 1.000 23.81713 ? 34 SER Z H 1 ATOM 3387 H HA . SER C 2 55 ? -27.72761 -33.36293 25.07025 1.000 24.27900 ? 34 SER Z HA 1 ATOM 3388 H HB2 . SER C 2 55 ? -28.62710 -34.11453 23.02793 1.000 26.36216 ? 34 SER Z HB2 1 ATOM 3389 H HB3 . SER C 2 55 ? -27.03930 -34.13741 22.96641 1.000 26.36216 ? 34 SER Z HB3 1 ATOM 3390 H HG . SER C 2 55 ? -27.79979 -36.05043 22.25900 1.000 28.79169 ? 34 SER Z HG 1 ATOM 3391 N N . SER C 2 56 ? -28.94774 -35.86028 26.39265 1.000 20.13220 ? 35 SER Z N 1 ATOM 3392 C CA . SER C 2 56 ? -30.10866 -36.33361 27.13461 1.000 19.37873 ? 35 SER Z CA 1 ATOM 3393 C C . SER C 2 56 ? -29.87476 -36.27623 28.63162 1.000 18.45313 ? 35 SER Z C 1 ATOM 3394 O O . SER C 2 56 ? -30.71426 -35.76122 29.36995 1.000 19.39736 ? 35 SER Z O 1 ATOM 3395 C CB . SER C 2 56 ? -30.45724 -37.77220 26.74064 1.000 22.65671 ? 35 SER Z CB 1 ATOM 3396 O OG . SER C 2 56 ? -29.32422 -38.60239 26.81046 1.000 27.49469 ? 35 SER Z OG 1 ATOM 3397 H H . SER C 2 56 ? -28.22232 -36.29169 26.55769 1.000 24.15541 ? 35 SER Z H 1 ATOM 3398 H HA . SER C 2 56 ? -30.86625 -35.77250 26.90634 1.000 23.25125 ? 35 SER Z HA 1 ATOM 3399 H HB2 . SER C 2 56 ? -31.13356 -38.11027 27.34826 1.000 27.18483 ? 35 SER Z HB2 1 ATOM 3400 H HB3 . SER C 2 56 ? -30.79577 -37.77680 25.83165 1.000 27.18483 ? 35 SER Z HB3 1 ATOM 3401 H HG . SER C 2 56 ? -29.46898 -39.32112 26.40049 1.000 32.99040 ? 35 SER Z HG 1 ATOM 3402 N N . ARG C 2 57 ? -28.74964 -36.80604 29.09577 1.000 18.25470 ? 36 ARG Z N 1 ATOM 3403 C CA . ARG C 2 57 ? -28.45293 -36.89049 30.51674 1.000 16.90687 ? 36 ARG Z CA 1 ATOM 3404 C C . ARG C 2 57 ? -27.63898 -35.70937 31.02697 1.000 16.15173 ? 36 ARG Z C 1 ATOM 3405 O O . ARG C 2 57 ? -27.35006 -35.64553 32.22620 1.000 15.18932 ? 36 ARG Z O 1 ATOM 3406 C CB . ARG C 2 57 ? -27.68292 -38.18672 30.78793 1.000 16.94389 ? 36 ARG Z CB 1 ATOM 3407 C CG . ARG C 2 57 ? -28.49757 -39.46783 30.64959 1.000 16.96845 ? 36 ARG Z CG 1 ATOM 3408 C CD . ARG C 2 57 ? -29.29309 -39.71326 31.92986 1.000 15.50577 ? 36 ARG Z CD 1 ATOM 3409 N NE . ARG C 2 57 ? -30.19158 -40.85590 31.85833 1.000 15.62693 ? 36 ARG Z NE 1 ATOM 3410 C CZ . ARG C 2 57 ? -29.83591 -42.10590 32.12703 1.000 17.03912 ? 36 ARG Z CZ 1 ATOM 3411 N NH1 . ARG C 2 57 ? -28.60783 -42.41656 32.53707 1.000 16.33254 ? 36 ARG Z NH1 1 ATOM 3412 N NH2 . ARG C 2 57 ? -30.73137 -43.07119 31.98505 1.000 16.93338 ? 36 ARG Z NH2 1 ATOM 3413 H H . ARG C 2 57 ? -28.12987 -37.13006 28.59528 1.000 21.90241 ? 36 ARG Z H 1 ATOM 3414 H HA . ARG C 2 57 ? -29.28582 -36.90764 31.01364 1.000 20.28502 ? 36 ARG Z HA 1 ATOM 3415 H HB2 . ARG C 2 57 ? -26.94635 -38.24236 30.15922 1.000 20.32944 ? 36 ARG Z HB2 1 ATOM 3416 H HB3 . ARG C 2 57 ? -27.34262 -38.15630 31.69576 1.000 20.32944 ? 36 ARG Z HB3 1 ATOM 3417 H HG2 . ARG C 2 57 ? -29.11724 -39.38411 29.90804 1.000 20.35891 ? 36 ARG Z HG2 1 ATOM 3418 H HG3 . ARG C 2 57 ? -27.90333 -40.22016 30.50205 1.000 20.35891 ? 36 ARG Z HG3 1 ATOM 3419 H HD2 . ARG C 2 57 ? -28.67141 -39.87255 32.65722 1.000 18.60369 ? 36 ARG Z HD2 1 ATOM 3420 H HD3 . ARG C 2 57 ? -29.83005 -38.92775 32.11840 1.000 18.60369 ? 36 ARG Z HD3 1 ATOM 3421 H HE . ARG C 2 57 ? -31.00708 -40.71150 31.62656 1.000 18.74908 ? 36 ARG Z HE 1 ATOM 3422 H HH11 . ARG C 2 57 ? -28.01792 -41.79846 32.63485 1.000 19.59582 ? 36 ARG Z HH11 1 ATOM 3423 H HH12 . ARG C 2 57 ? -28.40452 -43.23531 32.70413 1.000 19.59582 ? 36 ARG Z HH12 1 ATOM 3424 H HH21 . ARG C 2 57 ? -31.52844 -42.88310 31.72255 1.000 20.31683 ? 36 ARG Z HH21 1 ATOM 3425 H HH22 . ARG C 2 57 ? -30.51582 -43.88613 32.15536 1.000 20.31683 ? 36 ARG Z HH22 1 ATOM 3426 N N . GLY C 2 58 ? -27.27405 -34.77764 30.17840 1.000 15.51048 ? 37 GLY Z N 1 ATOM 3427 C CA . GLY C 2 58 ? -26.44238 -33.66554 30.57784 1.000 16.68100 ? 37 GLY Z CA 1 ATOM 3428 C C . GLY C 2 58 ? -25.03214 -34.13502 30.86223 1.000 15.13308 ? 37 GLY Z C 1 ATOM 3429 O O . GLY C 2 58 ? -24.65403 -35.26594 30.64141 1.000 15.75520 ? 37 GLY Z O 1 ATOM 3430 H H . GLY C 2 58 ? -27.49779 -34.76354 29.34813 1.000 18.60935 ? 37 GLY Z H 1 ATOM 3431 H HA2 . GLY C 2 58 ? -26.41595 -33.00385 29.86906 1.000 20.01397 ? 37 GLY Z HA2 1 ATOM 3432 H HA3 . GLY C 2 58 ? -26.80433 -33.25577 31.37907 1.000 20.01397 ? 37 GLY Z HA3 1 ATOM 3433 N N . LYS C 2 59 ? -24.25851 -33.21149 31.40545 1.000 16.00013 ? 38 LYS Z N 1 ATOM 3434 C CA . LYS C 2 59 ? -22.85441 -33.47470 31.65165 1.000 16.24197 ? 38 LYS Z CA 1 ATOM 3435 C C . LYS C 2 59 ? -22.62921 -34.54065 32.70718 1.000 16.21097 ? 38 LYS Z C 1 ATOM 3436 O O . LYS C 2 59 ? -23.39713 -34.66877 33.67218 1.000 16.36955 ? 38 LYS Z O 1 ATOM 3437 C CB . LYS C 2 59 ? -22.13833 -32.19845 32.07894 1.000 18.56159 ? 38 LYS Z CB 1 ATOM 3438 C CG . LYS C 2 59 ? -22.08012 -31.19273 30.92226 1.000 25.00286 ? 38 LYS Z CG 1 ATOM 3439 C CD . LYS C 2 59 ? -21.06295 -30.11089 31.15523 1.000 35.34886 ? 38 LYS Z CD 1 ATOM 3440 C CE . LYS C 2 59 ? -20.93359 -29.23446 29.91614 1.000 45.92637 ? 38 LYS Z CE 1 ATOM 3441 N NZ . LYS C 2 59 ? -19.85386 -29.67292 28.99906 1.000 56.03308 ? 38 LYS Z NZ 1 ATOM 3442 H H . LYS C 2 59 ? -24.52141 -32.42692 31.63980 1.000 19.19692 ? 38 LYS Z H 1 ATOM 3443 H HA . LYS C 2 59 ? -22.47089 -33.80142 30.82276 1.000 19.48713 ? 38 LYS Z HA 1 ATOM 3444 H HB2 . LYS C 2 59 ? -22.61693 -31.79139 32.81796 1.000 22.27068 ? 38 LYS Z HB2 1 ATOM 3445 H HB3 . LYS C 2 59 ? -21.23122 -32.41166 32.34838 1.000 22.27068 ? 38 LYS Z HB3 1 ATOM 3446 H HG2 . LYS C 2 59 ? -21.84135 -31.65994 30.10641 1.000 30.00020 ? 38 LYS Z HG2 1 ATOM 3447 H HG3 . LYS C 2 59 ? -22.94876 -30.77283 30.82201 1.000 30.00020 ? 38 LYS Z HG3 1 ATOM 3448 H HD2 . LYS C 2 59 ? -21.34195 -29.55577 31.90014 1.000 42.41540 ? 38 LYS Z HD2 1 ATOM 3449 H HD3 . LYS C 2 59 ? -20.19944 -30.51028 31.34427 1.000 42.41540 ? 38 LYS Z HD3 1 ATOM 3450 H HE2 . LYS C 2 59 ? -21.76963 -29.25917 29.42488 1.000 55.10841 ? 38 LYS Z HE2 1 ATOM 3451 H HE3 . LYS C 2 59 ? -20.73817 -28.32556 30.19291 1.000 55.10841 ? 38 LYS Z HE3 1 ATOM 3452 H HZ1 . LYS C 2 59 ? -19.86368 -29.17866 28.25898 1.000 67.23647 ? 38 LYS Z HZ1 1 ATOM 3453 H HZ2 . LYS C 2 59 ? -19.06230 -29.58313 29.39587 1.000 67.23647 ? 38 LYS Z HZ2 1 ATOM 3454 H HZ3 . LYS C 2 59 ? -19.97072 -30.52696 28.77759 1.000 67.23647 ? 38 LYS Z HZ3 1 ATOM 3455 N N . VAL C 2 60 ? -21.54325 -35.29326 32.51483 1.000 15.82784 ? 39 VAL Z N 1 ATOM 3456 C CA . VAL C 2 60 ? -20.99911 -36.12869 33.57480 1.000 16.42701 ? 39 VAL Z CA 1 ATOM 3457 C C . VAL C 2 60 ? -20.35520 -35.23823 34.62056 1.000 15.31983 ? 39 VAL Z C 1 ATOM 3458 O O . VAL C 2 60 ? -19.67626 -34.25225 34.29228 1.000 16.66739 ? 39 VAL Z O 1 ATOM 3459 C CB . VAL C 2 60 ? -19.96255 -37.09894 32.99347 1.000 16.33628 ? 39 VAL Z CB 1 ATOM 3460 C CG1 . VAL C 2 60 ? -19.48844 -38.07064 34.03325 1.000 18.38161 ? 39 VAL Z CG1 1 ATOM 3461 C CG2 . VAL C 2 60 ? -20.53740 -37.85055 31.77137 1.000 18.77324 ? 39 VAL Z CG2 1 ATOM 3462 H H . VAL C 2 60 ? -21.10486 -35.33507 31.77614 1.000 18.99018 ? 39 VAL Z H 1 ATOM 3463 H HA . VAL C 2 60 ? -21.71449 -36.64016 33.98412 1.000 19.70918 ? 39 VAL Z HA 1 ATOM 3464 H HB . VAL C 2 60 ? -19.19696 -36.58170 32.69812 1.000 19.60031 ? 39 VAL Z HB 1 ATOM 3465 H HG11 . VAL C 2 60 ? -18.79706 -38.63206 33.64894 1.000 22.05470 ? 39 VAL Z HG11 1 ATOM 3466 H HG12 . VAL C 2 60 ? -19.13180 -37.57655 34.78796 1.000 22.05470 ? 39 VAL Z HG12 1 ATOM 3467 H HG13 . VAL C 2 60 ? -20.23704 -38.61702 34.31957 1.000 22.05470 ? 39 VAL Z HG13 1 ATOM 3468 H HG21 . VAL C 2 60 ? -19.86510 -38.46164 31.43155 1.000 22.52466 ? 39 VAL Z HG21 1 ATOM 3469 H HG22 . VAL C 2 60 ? -21.32509 -38.34518 32.04668 1.000 22.52466 ? 39 VAL Z HG22 1 ATOM 3470 H HG23 . VAL C 2 60 ? -20.77439 -37.20553 31.08675 1.000 22.52466 ? 39 VAL Z HG23 1 ATOM 3471 N N . VAL C 2 61 ? -20.57320 -35.58628 35.88737 1.000 14.74307 ? 40 VAL Z N 1 ATOM 3472 C CA . VAL C 2 61 ? -20.14299 -34.79181 37.03167 1.000 14.52477 ? 40 VAL Z CA 1 ATOM 3473 C C . VAL C 2 61 ? -19.31048 -35.64311 37.98141 1.000 15.68599 ? 40 VAL Z C 1 ATOM 3474 O O . VAL C 2 61 ? -19.77498 -36.68588 38.46050 1.000 15.13318 ? 40 VAL Z O 1 ATOM 3475 C CB . VAL C 2 61 ? -21.35552 -34.25442 37.81157 1.000 16.40870 ? 40 VAL Z CB 1 ATOM 3476 C CG1 . VAL C 2 61 ? -20.91028 -33.34663 38.95173 1.000 17.59504 ? 40 VAL Z CG1 1 ATOM 3477 C CG2 . VAL C 2 61 ? -22.34570 -33.54956 36.87882 1.000 19.80797 ? 40 VAL Z CG2 1 ATOM 3478 H H . VAL C 2 61 ? -20.98426 -36.30631 36.11580 1.000 17.68845 ? 40 VAL Z H 1 ATOM 3479 H HA . VAL C 2 61 ? -19.58852 -34.06809 36.70046 1.000 17.42649 ? 40 VAL Z HA 1 ATOM 3480 H HB . VAL C 2 61 ? -21.82431 -35.00572 38.20740 1.000 19.68721 ? 40 VAL Z HB 1 ATOM 3481 H HG11 . VAL C 2 61 ? -21.69379 -33.03165 39.42900 1.000 21.11081 ? 40 VAL Z HG11 1 ATOM 3482 H HG12 . VAL C 2 61 ? -20.33798 -33.85037 39.55141 1.000 21.11081 ? 40 VAL Z HG12 1 ATOM 3483 H HG13 . VAL C 2 61 ? -20.42225 -32.59350 38.58359 1.000 21.11081 ? 40 VAL Z HG13 1 ATOM 3484 H HG21 . VAL C 2 61 ? -23.06026 -33.16433 37.40977 1.000 23.76633 ? 40 VAL Z HG21 1 ATOM 3485 H HG22 . VAL C 2 61 ? -21.87992 -32.85032 36.39405 1.000 23.76633 ? 40 VAL Z HG22 1 ATOM 3486 H HG23 . VAL C 2 61 ? -22.70922 -34.19816 36.25587 1.000 23.76633 ? 40 VAL Z HG23 1 ATOM 3487 N N . GLU C 2 62 ? -18.10329 -35.17658 38.28908 1.000 15.73429 ? 41 GLU Z N 1 ATOM 3488 C CA . GLU C 2 62 ? -17.25310 -35.81511 39.28030 1.000 15.82175 ? 41 GLU Z CA 1 ATOM 3489 C C . GLU C 2 62 ? -17.07243 -34.82971 40.42874 1.000 14.84954 ? 41 GLU Z C 1 ATOM 3490 O O . GLU C 2 62 ? -16.68239 -33.68334 40.20767 1.000 15.67677 ? 41 GLU Z O 1 ATOM 3491 C CB . GLU C 2 62 ? -15.90005 -36.20408 38.68063 1.000 16.21165 ? 41 GLU Z CB 1 ATOM 3492 C CG . GLU C 2 62 ? -15.06080 -37.06816 39.59621 1.000 18.09789 ? 41 GLU Z CG 1 ATOM 3493 C CD . GLU C 2 62 ? -13.69185 -37.32034 39.02580 1.000 22.07753 ? 41 GLU Z CD 1 ATOM 3494 O OE1 . GLU C 2 62 ? -13.58600 -37.98683 37.97637 1.000 26.21790 ? 41 GLU Z OE1 1 ATOM 3495 O OE2 . GLU C 2 62 ? -12.70535 -36.84252 39.62602 1.000 23.87877 -1 41 GLU Z OE2 1 ATOM 3496 H H . GLU C 2 62 ? -17.75206 -34.47916 37.92874 1.000 18.87792 ? 41 GLU Z H 1 ATOM 3497 H HA . GLU C 2 62 ? -17.66392 -36.62722 39.61587 1.000 18.98287 ? 41 GLU Z HA 1 ATOM 3498 H HB2 . GLU C 2 62 ? -16.05207 -36.69980 37.86084 1.000 19.45075 ? 41 GLU Z HB2 1 ATOM 3499 H HB3 . GLU C 2 62 ? -15.39779 -35.39609 38.49146 1.000 19.45075 ? 41 GLU Z HB3 1 ATOM 3500 H HG2 . GLU C 2 62 ? -14.95652 -36.62137 40.45084 1.000 21.71423 ? 41 GLU Z HG2 1 ATOM 3501 H HG3 . GLU C 2 62 ? -15.50070 -37.92368 39.72060 1.000 21.71423 ? 41 GLU Z HG3 1 ATOM 3502 N N . LEU C 2 63 ? -17.34303 -35.28170 41.65149 1.000 15.17538 ? 42 LEU Z N 1 ATOM 3503 C CA . LEU C 2 63 ? -17.24330 -34.45626 42.85017 1.000 13.91150 ? 42 LEU Z CA 1 ATOM 3504 C C . LEU C 2 63 ? -16.30874 -35.14131 43.83322 1.000 14.63051 ? 42 LEU Z C 1 ATOM 3505 O O . LEU C 2 63 ? -16.35864 -36.35860 44.00990 1.000 15.87101 ? 42 LEU Z O 1 ATOM 3506 C CB . LEU C 2 63 ? -18.60952 -34.29840 43.54101 1.000 14.78917 ? 42 LEU Z CB 1 ATOM 3507 C CG . LEU C 2 63 ? -19.73146 -33.80567 42.62515 1.000 14.23260 ? 42 LEU Z CG 1 ATOM 3508 C CD1 . LEU C 2 63 ? -21.05007 -33.89457 43.35390 1.000 15.37555 ? 42 LEU Z CD1 1 ATOM 3509 C CD2 . LEU C 2 63 ? -19.47878 -32.40081 42.18186 1.000 14.56338 ? 42 LEU Z CD2 1 ATOM 3510 H H . LEU C 2 63 ? -17.59383 -36.08779 41.81552 1.000 18.20723 ? 42 LEU Z H 1 ATOM 3511 H HA . LEU C 2 63 ? -16.90472 -33.58020 42.60770 1.000 16.69057 ? 42 LEU Z HA 1 ATOM 3512 H HB2 . LEU C 2 63 ? -18.87721 -35.16087 43.89510 1.000 17.74378 ? 42 LEU Z HB2 1 ATOM 3513 H HB3 . LEU C 2 63 ? -18.51738 -33.65739 44.26318 1.000 17.74378 ? 42 LEU Z HB3 1 ATOM 3514 H HG . LEU C 2 63 ? -19.76775 -34.36283 41.83196 1.000 17.07589 ? 42 LEU Z HG 1 ATOM 3515 H HD11 . LEU C 2 63 ? -21.76913 -33.71138 42.72917 1.000 18.44743 ? 42 LEU Z HD11 1 ATOM 3516 H HD12 . LEU C 2 63 ? -21.14915 -34.78746 43.71971 1.000 18.44743 ? 42 LEU Z HD12 1 ATOM 3517 H HD13 . LEU C 2 63 ? -21.05968 -33.24066 44.07029 1.000 18.44743 ? 42 LEU Z HD13 1 ATOM 3518 H HD21 . LEU C 2 63 ? -20.28118 -32.05288 41.76236 1.000 17.47283 ? 42 LEU Z HD21 1 ATOM 3519 H HD22 . LEU C 2 63 ? -19.24961 -31.86202 42.95522 1.000 17.47283 ? 42 LEU Z HD22 1 ATOM 3520 H HD23 . LEU C 2 63 ? -18.74538 -32.39705 41.54703 1.000 17.47283 ? 42 LEU Z HD23 1 ATOM 3521 N N . GLY C 2 64 ? -15.44610 -34.36374 44.46086 1.000 14.79934 ? 43 GLY Z N 1 ATOM 3522 C CA . GLY C 2 64 ? -14.62072 -34.93539 45.50740 1.000 16.42404 ? 43 GLY Z CA 1 ATOM 3523 C C . GLY C 2 64 ? -13.82815 -33.89816 46.25564 1.000 17.28471 ? 43 GLY Z C 1 ATOM 3524 O O . GLY C 2 64 ? -14.12655 -32.70483 46.22189 1.000 16.32247 ? 43 GLY Z O 1 ATOM 3525 H H . GLY C 2 64 ? -15.32201 -33.52706 44.30542 1.000 17.75598 ? 43 GLY Z H 1 ATOM 3526 H HA2 . GLY C 2 64 ? -15.18662 -35.40160 46.14247 1.000 19.70562 ? 43 GLY Z HA2 1 ATOM 3527 H HA3 . GLY C 2 64 ? -13.99885 -35.56791 45.11486 1.000 19.70562 ? 43 GLY Z HA3 1 ATOM 3528 N N . CYS C 2 65 ? -12.81305 -34.40459 46.93955 1.000 17.02956 ? 44 CYS Z N 1 ATOM 3529 C CA . CYS C 2 65 ? -11.84731 -33.63358 47.70080 1.000 18.57885 ? 44 CYS Z CA 1 ATOM 3530 C C . CYS C 2 65 ? -10.54971 -33.49026 46.91606 1.000 19.11526 ? 44 CYS Z C 1 ATOM 3531 O O . CYS C 2 65 ? -10.17962 -34.38403 46.15707 1.000 19.74250 ? 44 CYS Z O 1 ATOM 3532 C CB . CYS C 2 65 ? -11.50375 -34.38203 49.00811 1.000 19.19324 ? 44 CYS Z CB 1 ATOM 3533 S SG . CYS C 2 65 ? -12.87905 -34.70398 50.09509 1.000 21.63177 ? 44 CYS Z SG 1 ATOM 3534 H H . CYS C 2 65 ? -12.65327 -35.24866 46.97973 1.000 20.43225 ? 44 CYS Z H 1 ATOM 3535 H HA . CYS C 2 65 ? -12.21514 -32.75615 47.88983 1.000 22.29139 ? 44 CYS Z HA 1 ATOM 3536 H HB2 . CYS C 2 65 ? -11.11371 -35.23900 48.77494 1.000 23.02866 ? 44 CYS Z HB2 1 ATOM 3537 H HB3 . CYS C 2 65 ? -10.86247 -33.84965 49.50433 1.000 23.02866 ? 44 CYS Z HB3 1 ATOM 3538 N N . ALA C 2 66 ? -9.80762 -32.41183 47.18889 1.000 20.64649 ? 45 ALA Z N 1 ATOM 3539 C CA . ALA C 2 66 ? -8.48487 -32.25405 46.59971 1.000 22.00636 ? 45 ALA Z CA 1 ATOM 3540 C C . ALA C 2 66 ? -7.58023 -31.38076 47.45173 1.000 22.56449 ? 45 ALA Z C 1 ATOM 3541 O O . ALA C 2 66 ? -8.04289 -30.52822 48.20999 1.000 23.39878 ? 45 ALA Z O 1 ATOM 3542 C CB . ALA C 2 66 ? -8.55147 -31.66257 45.18864 1.000 23.30514 ? 45 ALA Z CB 1 ATOM 3543 H H . ALA C 2 66 ? -10.04919 -31.76861 47.70611 1.000 24.77256 ? 45 ALA Z H 1 ATOM 3544 H HA . ALA C 2 66 ? -8.09175 -33.14045 46.57412 1.000 26.40440 ? 45 ALA Z HA 1 ATOM 3545 H HB1 . ALA C 2 66 ? -7.66811 -31.69773 44.78947 1.000 27.96294 ? 45 ALA Z HB1 1 ATOM 3546 H HB2 . ALA C 2 66 ? -9.17531 -32.18195 44.65764 1.000 27.96294 ? 45 ALA Z HB2 1 ATOM 3547 H HB3 . ALA C 2 66 ? -8.85218 -30.74214 45.24590 1.000 27.96294 ? 45 ALA Z HB3 1 ATOM 3548 N N . ALA C 2 67 ? -6.27444 -31.59436 47.27505 1.000 25.12142 ? 46 ALA Z N 1 ATOM 3549 C CA . ALA C 2 67 ? -5.25491 -30.73008 47.85387 1.000 26.11502 ? 46 ALA Z CA 1 ATOM 3550 C C . ALA C 2 67 ? -5.01640 -29.49636 46.99479 1.000 28.02896 ? 46 ALA Z C 1 ATOM 3551 O O . ALA C 2 67 ? -4.94837 -28.37851 47.50948 1.000 30.10054 ? 46 ALA Z O 1 ATOM 3552 C CB . ALA C 2 67 ? -3.96594 -31.53194 48.00336 1.000 27.93349 ? 46 ALA Z CB 1 ATOM 3553 H H . ALA C 2 67 ? -5.95022 -32.24510 46.81568 1.000 30.14247 ? 46 ALA Z H 1 ATOM 3554 H HA . ALA C 2 67 ? -5.54435 -30.42522 48.72805 1.000 31.33479 ? 46 ALA Z HA 1 ATOM 3555 H HB1 . ALA C 2 67 ? -3.26563 -30.94595 48.33059 1.000 33.51695 ? 46 ALA Z HB1 1 ATOM 3556 H HB2 . ALA C 2 67 ? -4.11452 -32.25398 48.63383 1.000 33.51695 ? 46 ALA Z HB2 1 ATOM 3557 H HB3 . ALA C 2 67 ? -3.71711 -31.89393 47.13852 1.000 33.51695 ? 46 ALA Z HB3 1 ATOM 3558 N N . THR C 2 68 ? -4.89864 -29.68679 45.68670 1.000 29.54198 ? 47 THR Z N 1 ATOM 3559 C CA . THR C 2 68 ? -4.77976 -28.60893 44.71845 1.000 31.42835 ? 47 THR Z CA 1 ATOM 3560 C C . THR C 2 68 ? -5.85653 -28.80701 43.66432 1.000 28.87623 ? 47 THR Z C 1 ATOM 3561 O O . THR C 2 68 ? -6.27311 -29.93107 43.39030 1.000 28.24079 ? 47 THR Z O 1 ATOM 3562 C CB . THR C 2 68 ? -3.39623 -28.60712 44.05478 1.000 36.82626 ? 47 THR Z CB 1 ATOM 3563 O OG1 . THR C 2 68 ? -3.21389 -29.81901 43.32011 1.000 46.43812 ? 47 THR Z OG1 1 ATOM 3564 C CG2 . THR C 2 68 ? -2.31764 -28.50625 45.11862 1.000 36.66571 ? 47 THR Z CG2 1 ATOM 3565 H H . THR C 2 68 ? -4.88464 -30.46534 45.32165 1.000 35.44714 ? 47 THR Z H 1 ATOM 3566 H HA . THR C 2 68 ? -4.90434 -27.74731 45.14622 1.000 37.71079 ? 47 THR Z HA 1 ATOM 3567 H HB . THR C 2 68 ? -3.32105 -27.85104 43.45179 1.000 44.18828 ? 47 THR Z HB 1 ATOM 3568 H HG1 . THR C 2 68 ? -2.47516 -29.80437 42.92055 1.000 55.72252 ? 47 THR Z HG1 1 ATOM 3569 H HG21 . THR C 2 68 ? -1.44784 -28.40711 44.70085 1.000 43.99563 ? 47 THR Z HG21 1 ATOM 3570 H HG22 . THR C 2 68 ? -2.48321 -27.73795 45.68713 1.000 43.99563 ? 47 THR Z HG22 1 ATOM 3571 H HG23 . THR C 2 68 ? -2.31483 -29.30756 45.66523 1.000 43.99563 ? 47 THR Z HG23 1 ATOM 3572 N N . CYS C 2 69 ? -6.32627 -27.71625 43.09840 1.000 27.40574 ? 48 CYS Z N 1 ATOM 3573 C CA . CYS C 2 69 ? -7.43214 -27.82086 42.15900 1.000 27.54286 ? 48 CYS Z CA 1 ATOM 3574 C C . CYS C 2 69 ? -6.98710 -28.63486 40.94285 1.000 27.70967 ? 48 CYS Z C 1 ATOM 3575 O O . CYS C 2 69 ? -5.89207 -28.39125 40.40000 1.000 28.98411 ? 48 CYS Z O 1 ATOM 3576 C CB . CYS C 2 69 ? -7.90719 -26.43451 41.75108 1.000 28.42220 ? 48 CYS Z CB 1 ATOM 3577 S SG . CYS C 2 69 ? -9.56561 -26.43894 41.09432 1.000 29.31457 ? 48 CYS Z SG 1 ATOM 3578 H H . CYS C 2 69 ? -6.03312 -26.91927 43.23433 1.000 32.88365 ? 48 CYS Z H 1 ATOM 3579 H HA . CYS C 2 69 ? -8.18294 -28.27732 42.56989 1.000 33.04820 ? 48 CYS Z HA 1 ATOM 3580 H HB2 . CYS C 2 69 ? -7.89348 -25.85476 42.52864 1.000 34.10341 ? 48 CYS Z HB2 1 ATOM 3581 H HB3 . CYS C 2 69 ? -7.31407 -26.08626 41.06710 1.000 34.10341 ? 48 CYS Z HB3 1 ATOM 3582 N N . PRO C 2 70 ? -7.75659 -29.63919 40.52247 1.000 27.74817 ? 49 PRO Z N 1 ATOM 3583 C CA . PRO C 2 70 ? -7.34746 -30.44741 39.36708 1.000 29.25998 ? 49 PRO Z CA 1 ATOM 3584 C C . PRO C 2 70 ? -7.19556 -29.60537 38.10842 1.000 29.69595 ? 49 PRO Z C 1 ATOM 3585 O O . PRO C 2 70 ? -7.93120 -28.64453 37.88614 1.000 30.11431 ? 49 PRO Z O 1 ATOM 3586 C CB . PRO C 2 70 ? -8.48046 -31.47195 39.22370 1.000 29.45525 ? 49 PRO Z CB 1 ATOM 3587 C CG . PRO C 2 70 ? -9.07527 -31.57831 40.59010 1.000 29.53638 ? 49 PRO Z CG 1 ATOM 3588 C CD . PRO C 2 70 ? -8.93116 -30.21215 41.21352 1.000 27.82903 ? 49 PRO Z CD 1 ATOM 3589 H HA . PRO C 2 70 ? -6.51148 -30.90193 39.55538 1.000 35.10874 ? 49 PRO Z HA 1 ATOM 3590 H HB2 . PRO C 2 70 ? -9.13549 -31.15331 38.58315 1.000 35.34308 ? 49 PRO Z HB2 1 ATOM 3591 H HB3 . PRO C 2 70 ? -8.12054 -32.32478 38.93379 1.000 35.34308 ? 49 PRO Z HB3 1 ATOM 3592 H HG2 . PRO C 2 70 ? -10.01033 -31.82685 40.52082 1.000 35.44042 ? 49 PRO Z HG2 1 ATOM 3593 H HG3 . PRO C 2 70 ? -8.59256 -32.24326 41.10558 1.000 35.44042 ? 49 PRO Z HG3 1 ATOM 3594 H HD2 . PRO C 2 70 ? -9.72213 -29.67453 41.05159 1.000 33.39160 ? 49 PRO Z HD2 1 ATOM 3595 H HD3 . PRO C 2 70 ? -8.76847 -30.28416 42.16707 1.000 33.39160 ? 49 PRO Z HD3 1 ATOM 3596 N N . SER C 2 71 ? -6.22346 -29.97411 37.28371 1.000 34.27813 ? 50 SER Z N 1 ATOM 3597 C CA . SER C 2 71 ? -6.00843 -29.26105 36.03677 1.000 37.44293 ? 50 SER Z CA 1 ATOM 3598 C C . SER C 2 71 ? -7.09208 -29.61483 35.03091 1.000 37.20470 ? 50 SER Z C 1 ATOM 3599 O O . SER C 2 71 ? -7.56082 -30.75244 34.96789 1.000 35.85320 ? 50 SER Z O 1 ATOM 3600 C CB . SER C 2 71 ? -4.63546 -29.61775 35.47024 1.000 42.31634 ? 50 SER Z CB 1 ATOM 3601 O OG . SER C 2 71 ? -3.61472 -29.18705 36.35571 1.000 46.99840 ? 50 SER Z OG 1 ATOM 3602 H H . SER C 2 71 ? -5.68121 -30.62698 37.42274 1.000 41.13053 ? 50 SER Z H 1 ATOM 3603 H HA . SER C 2 71 ? -6.04039 -28.30453 36.19470 1.000 44.92828 ? 50 SER Z HA 1 ATOM 3604 H HB2 . SER C 2 71 ? -4.57649 -30.57966 35.35994 1.000 50.77638 ? 50 SER Z HB2 1 ATOM 3605 H HB3 . SER C 2 71 ? -4.52036 -29.17790 34.61340 1.000 50.77638 ? 50 SER Z HB3 1 ATOM 3606 H HG . SER C 2 71 ? -2.86028 -29.32284 36.01224 1.000 56.39485 ? 50 SER Z HG 1 ATOM 3607 N N . LYS C 2 72 ? -7.48260 -28.62176 34.24235 1.000 41.88997 ? 51 LYS Z N 1 ATOM 3608 C CA . LYS C 2 72 ? -8.56175 -28.75981 33.27330 1.000 44.46015 ? 51 LYS Z CA 1 ATOM 3609 C C . LYS C 2 72 ? -8.02728 -29.39837 32.00119 1.000 43.63247 ? 51 LYS Z C 1 ATOM 3610 O O . LYS C 2 72 ? -6.97648 -29.00241 31.49464 1.000 41.46481 ? 51 LYS Z O 1 ATOM 3611 C CB . LYS C 2 72 ? -9.11701 -27.36306 32.97492 1.000 51.71497 ? 51 LYS Z CB 1 ATOM 3612 C CG . LYS C 2 72 ? -9.90823 -27.20408 31.69268 1.000 55.01843 ? 51 LYS Z CG 1 ATOM 3613 C CD . LYS C 2 72 ? -10.21903 -25.72632 31.40710 1.000 53.59897 ? 51 LYS Z CD 1 ATOM 3614 C CE . LYS C 2 72 ? -11.31977 -25.58265 30.36295 1.000 53.48580 ? 51 LYS Z CE 1 ATOM 3615 N NZ . LYS C 2 72 ? -11.21943 -26.59337 29.28584 1.000 56.65839 ? 51 LYS Z NZ 1 ATOM 3616 H H . LYS C 2 72 ? -7.12981 -27.83748 34.24884 1.000 50.26473 ? 51 LYS Z H 1 ATOM 3617 H HA . LYS C 2 72 ? -9.27081 -29.32566 33.61673 1.000 53.34895 ? 51 LYS Z HA 1 ATOM 3618 H HB2 . LYS C 2 72 ? -9.70543 -27.11184 33.70399 1.000 62.05474 ? 51 LYS Z HB2 1 ATOM 3619 H HB3 . LYS C 2 72 ? -8.36932 -26.74715 32.92475 1.000 62.05474 ? 51 LYS Z HB3 1 ATOM 3620 H HG2 . LYS C 2 72 ? -9.39286 -27.55689 30.95051 1.000 66.01889 ? 51 LYS Z HG2 1 ATOM 3621 H HG3 . LYS C 2 72 ? -10.74793 -27.68332 31.77100 1.000 66.01889 ? 51 LYS Z HG3 1 ATOM 3622 H HD2 . LYS C 2 72 ? -10.51515 -25.29591 32.22438 1.000 64.31553 ? 51 LYS Z HD2 1 ATOM 3623 H HD3 . LYS C 2 72 ? -9.42099 -25.28850 31.07192 1.000 64.31553 ? 51 LYS Z HD3 1 ATOM 3624 H HE2 . LYS C 2 72 ? -12.18180 -25.68883 30.79484 1.000 64.17973 ? 51 LYS Z HE2 1 ATOM 3625 H HE3 . LYS C 2 72 ? -11.25822 -24.70396 29.95672 1.000 64.17973 ? 51 LYS Z HE3 1 ATOM 3626 H HZ1 . LYS C 2 72 ? -11.87234 -26.47252 28.69321 1.000 67.98684 ? 51 LYS Z HZ1 1 ATOM 3627 H HZ2 . LYS C 2 72 ? -10.43550 -26.51935 28.87102 1.000 67.98684 ? 51 LYS Z HZ2 1 ATOM 3628 H HZ3 . LYS C 2 72 ? -11.28855 -27.41169 29.62888 1.000 67.98684 ? 51 LYS Z HZ3 1 ATOM 3629 N N . LYS C 2 73 ? -8.73236 -30.39059 31.50104 1.000 43.69077 ? 52 LYS Z N 1 ATOM 3630 C CA . LYS C 2 73 ? -8.41933 -30.98282 30.21746 1.000 42.74640 ? 52 LYS Z CA 1 ATOM 3631 C C . LYS C 2 73 ? -9.28753 -30.34986 29.14461 1.000 35.71711 ? 52 LYS Z C 1 ATOM 3632 O O . LYS C 2 73 ? -10.26034 -29.64360 29.43814 1.000 30.28693 ? 52 LYS Z O 1 ATOM 3633 C CB . LYS C 2 73 ? -8.65202 -32.49288 30.26492 1.000 52.02928 ? 52 LYS Z CB 1 ATOM 3634 C CG . LYS C 2 73 ? -8.00326 -33.17563 31.45209 1.000 61.51937 ? 52 LYS Z CG 1 ATOM 3635 C CD . LYS C 2 73 ? -7.68602 -34.63278 31.15278 1.000 70.24561 ? 52 LYS Z CD 1 ATOM 3636 C CE . LYS C 2 73 ? -6.93851 -35.28899 32.30652 1.000 70.62511 ? 52 LYS Z CE 1 ATOM 3637 N NZ . LYS C 2 73 ? -5.70970 -34.54196 32.69223 1.000 72.97087 ? 52 LYS Z NZ 1 ATOM 3638 H H . LYS C 2 73 ? -9.41017 -30.74493 31.89424 1.000 52.42569 ? 52 LYS Z H 1 ATOM 3639 H HA . LYS C 2 73 ? -7.48583 -30.83286 30.00066 1.000 51.29244 ? 52 LYS Z HA 1 ATOM 3640 H HB2 . LYS C 2 73 ? -9.60638 -32.65959 30.31303 1.000 62.43190 ? 52 LYS Z HB2 1 ATOM 3641 H HB3 . LYS C 2 73 ? -8.28610 -32.88988 29.45907 1.000 62.43190 ? 52 LYS Z HB3 1 ATOM 3642 H HG2 . LYS C 2 73 ? -7.17417 -32.72176 31.67009 1.000 73.82001 ? 52 LYS Z HG2 1 ATOM 3643 H HG3 . LYS C 2 73 ? -8.60762 -33.14478 32.21017 1.000 73.82001 ? 52 LYS Z HG3 1 ATOM 3644 H HD2 . LYS C 2 73 ? -8.51308 -35.11891 31.00946 1.000 84.29150 ? 52 LYS Z HD2 1 ATOM 3645 H HD3 . LYS C 2 73 ? -7.12930 -34.68426 30.36012 1.000 84.29150 ? 52 LYS Z HD3 1 ATOM 3646 H HE2 . LYS C 2 73 ? -7.52175 -35.32760 33.08063 1.000 84.74690 ? 52 LYS Z HE2 1 ATOM 3647 H HE3 . LYS C 2 73 ? -6.67523 -36.18505 32.04447 1.000 84.74690 ? 52 LYS Z HE3 1 ATOM 3648 H HZ1 . LYS C 2 73 ? -5.25458 -35.00013 33.30464 1.000 87.56181 ? 52 LYS Z HZ1 1 ATOM 3649 H HZ2 . LYS C 2 73 ? -5.19154 -34.41940 31.97908 1.000 87.56181 ? 52 LYS Z HZ2 1 ATOM 3650 H HZ3 . LYS C 2 73 ? -5.92932 -33.74818 33.02955 1.000 87.56181 ? 52 LYS Z HZ3 1 ATOM 3651 N N . PRO C 2 74 ? -8.94286 -30.56045 27.87640 1.000 32.11997 ? 53 PRO Z N 1 ATOM 3652 C CA . PRO C 2 74 ? -9.81856 -30.09178 26.79683 1.000 30.50833 ? 53 PRO Z CA 1 ATOM 3653 C C . PRO C 2 74 ? -11.22638 -30.62739 26.99128 1.000 28.17542 ? 53 PRO Z C 1 ATOM 3654 O O . PRO C 2 74 ? -11.42410 -31.80593 27.28881 1.000 28.59873 ? 53 PRO Z O 1 ATOM 3655 C CB . PRO C 2 74 ? -9.17700 -30.68329 25.53359 1.000 31.36412 ? 53 PRO Z CB 1 ATOM 3656 C CG . PRO C 2 74 ? -7.73650 -30.89705 25.90010 1.000 32.64684 ? 53 PRO Z CG 1 ATOM 3657 C CD . PRO C 2 74 ? -7.71288 -31.20375 27.36929 1.000 35.39056 ? 53 PRO Z CD 1 ATOM 3658 H HA . PRO C 2 74 ? -9.82267 -29.12330 26.74270 1.000 36.60676 ? 53 PRO Z HA 1 ATOM 3659 H HB2 . PRO C 2 74 ? -9.60647 -31.52277 25.30615 1.000 37.63372 ? 53 PRO Z HB2 1 ATOM 3660 H HB3 . PRO C 2 74 ? -9.25946 -30.05808 24.79656 1.000 37.63372 ? 53 PRO Z HB3 1 ATOM 3661 H HG2 . PRO C 2 74 ? -7.37862 -31.64067 25.39034 1.000 39.17298 ? 53 PRO Z HG2 1 ATOM 3662 H HG3 . PRO C 2 74 ? -7.23039 -30.09136 25.71139 1.000 39.17298 ? 53 PRO Z HG3 1 ATOM 3663 H HD2 . PRO C 2 74 ? -7.73722 -32.16141 27.52158 1.000 42.46545 ? 53 PRO Z HD2 1 ATOM 3664 H HD3 . PRO C 2 74 ? -6.92621 -30.82107 27.78835 1.000 42.46545 ? 53 PRO Z HD3 1 ATOM 3665 N N . TYR C 2 75 ? -12.21449 -29.74920 26.84108 1.000 24.86590 ? 54 TYR Z N 1 ATOM 3666 C CA . TYR C 2 75 ? -13.62813 -30.11786 26.89726 1.000 23.58424 ? 54 TYR Z CA 1 ATOM 3667 C C . TYR C 2 75 ? -14.09470 -30.45957 28.29429 1.000 24.90659 ? 54 TYR Z C 1 ATOM 3668 O O . TYR C 2 75 ? -15.20797 -30.96184 28.45966 1.000 28.05030 ? 54 TYR Z O 1 ATOM 3669 C CB . TYR C 2 75 ? -13.92639 -31.25861 25.91863 1.000 25.59683 ? 54 TYR Z CB 1 ATOM 3670 C CG . TYR C 2 75 ? -13.70790 -30.81505 24.49596 1.000 25.99936 ? 54 TYR Z CG 1 ATOM 3671 C CD1 . TYR C 2 75 ? -14.51760 -29.84729 23.92584 1.000 26.22191 ? 54 TYR Z CD1 1 ATOM 3672 C CD2 . TYR C 2 75 ? -12.67833 -31.33258 23.74413 1.000 25.83242 ? 54 TYR Z CD2 1 ATOM 3673 C CE1 . TYR C 2 75 ? -14.31817 -29.41220 22.64276 1.000 28.51714 ? 54 TYR Z CE1 1 ATOM 3674 C CE2 . TYR C 2 75 ? -12.45506 -30.90638 22.44442 1.000 27.91100 ? 54 TYR Z CE2 1 ATOM 3675 C CZ . TYR C 2 75 ? -13.29260 -29.94225 21.90660 1.000 28.90866 ? 54 TYR Z CZ 1 ATOM 3676 O OH . TYR C 2 75 ? -13.09431 -29.51994 20.61112 1.000 33.03257 ? 54 TYR Z OH 1 ATOM 3677 H H . TYR C 2 75 ? -12.08587 -28.91038 26.70164 1.000 29.83585 ? 54 TYR Z H 1 ATOM 3678 H HA . TYR C 2 75 ? -14.16365 -29.35502 26.62858 1.000 28.29786 ? 54 TYR Z HA 1 ATOM 3679 H HB2 . TYR C 2 75 ? -13.33537 -32.00532 26.10307 1.000 30.71297 ? 54 TYR Z HB2 1 ATOM 3680 H HB3 . TYR C 2 75 ? -14.85093 -31.53514 26.01691 1.000 30.71297 ? 54 TYR Z HB3 1 ATOM 3681 H HD1 . TYR C 2 75 ? -15.21282 -29.48443 24.42573 1.000 31.46306 ? 54 TYR Z HD1 1 ATOM 3682 H HD2 . TYR C 2 75 ? -12.12254 -31.97970 24.11458 1.000 30.99567 ? 54 TYR Z HD2 1 ATOM 3683 H HE1 . TYR C 2 75 ? -14.87372 -28.76326 22.27515 1.000 34.21733 ? 54 TYR Z HE1 1 ATOM 3684 H HE2 . TYR C 2 75 ? -11.75659 -31.26062 21.94286 1.000 33.48996 ? 54 TYR Z HE2 1 ATOM 3685 H HH . TYR C 2 75 ? -13.83126 -29.33331 20.25380 1.000 39.63586 ? 54 TYR Z HH 1 ATOM 3686 N N A GLU C 2 76 ? -13.27258 -30.20089 29.30766 0.442 22.87966 ? 55 GLU Z N 1 ATOM 3687 N N B GLU C 2 76 ? -13.29549 -30.15430 29.30083 0.558 21.98618 ? 55 GLU Z N 1 ATOM 3688 C CA A GLU C 2 76 ? -13.63017 -30.41905 30.70094 0.442 23.39654 ? 55 GLU Z CA 1 ATOM 3689 C CA B GLU C 2 76 ? -13.65197 -30.39274 30.68577 0.558 21.85560 ? 55 GLU Z CA 1 ATOM 3690 C C A GLU C 2 76 ? -13.65313 -29.07151 31.41130 0.442 22.08236 ? 55 GLU Z C 1 ATOM 3691 C C B GLU C 2 76 ? -13.64989 -29.06263 31.41869 0.558 21.56177 ? 55 GLU Z C 1 ATOM 3692 O O A GLU C 2 76 ? -12.87929 -28.17093 31.08881 0.442 22.77145 ? 55 GLU Z O 1 ATOM 3693 O O B GLU C 2 76 ? -12.85608 -28.17059 31.12204 0.558 22.67252 ? 55 GLU Z O 1 ATOM 3694 C CB A GLU C 2 76 ? -12.62437 -31.35742 31.40148 0.442 26.52715 ? 55 GLU Z CB 1 ATOM 3695 C CB B GLU C 2 76 ? -12.65092 -31.34395 31.32896 0.558 24.75384 ? 55 GLU Z CB 1 ATOM 3696 C CG A GLU C 2 76 ? -12.41062 -32.71119 30.71671 0.442 28.72769 ? 55 GLU Z CG 1 ATOM 3697 C CG B GLU C 2 76 ? -12.94154 -31.67351 32.77633 0.558 28.55555 ? 55 GLU Z CG 1 ATOM 3698 C CD A GLU C 2 76 ? -11.52900 -33.67143 31.51215 0.442 31.67692 ? 55 GLU Z CD 1 ATOM 3699 C CD B GLU C 2 76 ? -11.78076 -32.36916 33.45554 0.558 32.46477 ? 55 GLU Z CD 1 ATOM 3700 O OE1 A GLU C 2 76 ? -10.94245 -33.25790 32.54091 0.442 33.15796 ? 55 GLU Z OE1 1 ATOM 3701 O OE1 B GLU C 2 76 ? -10.61759 -31.97776 33.21565 0.558 30.21721 ? 55 GLU Z OE1 1 ATOM 3702 O OE2 A GLU C 2 76 ? -11.40651 -34.84830 31.10098 0.442 32.58389 -1 55 GLU Z OE2 1 ATOM 3703 O OE2 B GLU C 2 76 ? -12.03335 -33.31914 34.22887 0.558 39.31581 -1 55 GLU Z OE2 1 ATOM 3704 H H A GLU C 2 76 ? -12.47764 -29.88852 29.20724 0.442 27.45236 ? 55 GLU Z H 1 ATOM 3705 H H B GLU C 2 76 ? -12.51897 -29.79773 29.20343 0.558 26.38019 ? 55 GLU Z H 1 ATOM 3706 H HA A GLU C 2 76 ? -14.50736 -30.82868 30.76123 0.442 28.07262 ? 55 GLU Z HA 1 ATOM 3707 H HA B GLU C 2 76 ? -14.53594 -30.78556 30.75781 0.558 26.22349 ? 55 GLU Z HA 1 ATOM 3708 H HB2 A GLU C 2 76 ? -11.76366 -30.91160 31.43788 0.442 31.82935 ? 55 GLU Z HB2 1 ATOM 3709 H HB2 B GLU C 2 76 ? -12.65318 -32.17719 30.83236 0.558 29.70137 ? 55 GLU Z HB2 1 ATOM 3710 H HB3 A GLU C 2 76 ? -12.94475 -31.53408 32.29984 0.442 31.82935 ? 55 GLU Z HB3 1 ATOM 3711 H HB3 B GLU C 2 76 ? -11.77077 -30.93793 31.29172 0.558 29.70137 ? 55 GLU Z HB3 1 ATOM 3712 H HG2 A GLU C 2 76 ? -13.27304 -33.13705 30.59108 0.442 34.47000 ? 55 GLU Z HG2 1 ATOM 3713 H HG2 B GLU C 2 76 ? -13.12400 -30.85176 33.25834 0.558 34.26343 ? 55 GLU Z HG2 1 ATOM 3714 H HG3 A GLU C 2 76 ? -11.98563 -32.56272 29.85750 0.442 34.47000 ? 55 GLU Z HG3 1 ATOM 3715 H HG3 B GLU C 2 76 ? -13.71190 -32.26139 32.81933 0.558 34.26343 ? 55 GLU Z HG3 1 ATOM 3716 N N . GLU C 2 77 ? -14.56642 -28.92567 32.36732 1.000 20.93878 ? 56 GLU Z N 1 ATOM 3717 C CA . GLU C 2 77 ? -14.61315 -27.76732 33.24329 1.000 24.26110 ? 56 GLU Z CA 1 ATOM 3718 C C . GLU C 2 77 ? -14.31434 -28.25809 34.64742 1.000 19.62088 ? 56 GLU Z C 1 ATOM 3719 O O . GLU C 2 77 ? -14.81857 -29.30601 35.04273 1.000 20.69183 ? 56 GLU Z O 1 ATOM 3720 C CB . GLU C 2 77 ? -16.00164 -27.14325 33.32074 1.000 39.50879 ? 56 GLU Z CB 1 ATOM 3721 C CG . GLU C 2 77 ? -16.67095 -26.81076 32.02377 1.000 55.41236 ? 56 GLU Z CG 1 ATOM 3722 C CD . GLU C 2 77 ? -18.12456 -26.45151 32.26492 1.000 72.67484 ? 56 GLU Z CD 1 ATOM 3723 O OE1 . GLU C 2 77 ? -18.99446 -27.33163 32.09033 1.000 74.44820 ? 56 GLU Z OE1 1 ATOM 3724 O OE2 . GLU C 2 77 ? -18.39228 -25.30511 32.67904 1.000 80.35328 -1 56 GLU Z OE2 1 ATOM 3725 H H . GLU C 2 77 ? -15.18483 -29.50158 32.52701 1.000 25.12331 ? 56 GLU Z H 1 ATOM 3726 H HA . GLU C 2 77 ? -13.98050 -27.10678 32.92028 1.000 29.11009 ? 56 GLU Z HA 1 ATOM 3727 H HB2 . GLU C 2 77 ? -16.58297 -27.76405 33.78718 1.000 47.40731 ? 56 GLU Z HB2 1 ATOM 3728 H HB3 . GLU C 2 77 ? -15.93004 -26.31563 33.82155 1.000 47.40731 ? 56 GLU Z HB3 1 ATOM 3729 H HG2 . GLU C 2 77 ? -16.22714 -26.05262 31.61250 1.000 66.49161 ? 56 GLU Z HG2 1 ATOM 3730 H HG3 . GLU C 2 77 ? -16.63417 -27.57806 31.43149 1.000 66.49161 ? 56 GLU Z HG3 1 ATOM 3731 N N . VAL C 2 78 ? -13.53235 -27.49764 35.40463 1.000 19.55083 ? 57 VAL Z N 1 ATOM 3732 C CA . VAL C 2 78 ? -13.21406 -27.83043 36.78979 1.000 20.43793 ? 57 VAL Z CA 1 ATOM 3733 C C . VAL C 2 78 ? -13.33257 -26.57032 37.63344 1.000 20.75937 ? 57 VAL Z C 1 ATOM 3734 O O . VAL C 2 78 ? -12.82260 -25.50994 37.25536 1.000 22.32125 ? 57 VAL Z O 1 ATOM 3735 C CB . VAL C 2 78 ? -11.78791 -28.40232 36.93261 1.000 24.48937 ? 57 VAL Z CB 1 ATOM 3736 C CG1 . VAL C 2 78 ? -11.56559 -28.88472 38.36934 1.000 25.88685 ? 57 VAL Z CG1 1 ATOM 3737 C CG2 . VAL C 2 78 ? -11.52780 -29.50846 35.95018 1.000 27.15372 ? 57 VAL Z CG2 1 ATOM 3738 H H . VAL C 2 78 ? -13.16611 -26.76829 35.13350 1.000 23.45777 ? 57 VAL Z H 1 ATOM 3739 H HA . VAL C 2 78 ? -13.85526 -28.48637 37.10523 1.000 24.52229 ? 57 VAL Z HA 1 ATOM 3740 H HB . VAL C 2 78 ? -11.15167 -27.69749 36.73437 1.000 29.38401 ? 57 VAL Z HB 1 ATOM 3741 H HG11 . VAL C 2 78 ? -10.66939 -29.24797 38.44539 1.000 31.06099 ? 57 VAL Z HG11 1 ATOM 3742 H HG12 . VAL C 2 78 ? -11.67062 -28.13387 38.97439 1.000 31.06099 ? 57 VAL Z HG12 1 ATOM 3743 H HG13 . VAL C 2 78 ? -12.21926 -29.57069 38.57685 1.000 31.06099 ? 57 VAL Z HG13 1 ATOM 3744 H HG21 . VAL C 2 78 ? -10.69162 -29.94371 36.17877 1.000 32.58124 ? 57 VAL Z HG21 1 ATOM 3745 H HG22 . VAL C 2 78 ? -12.25617 -30.14756 35.99407 1.000 32.58124 ? 57 VAL Z HG22 1 ATOM 3746 H HG23 . VAL C 2 78 ? -11.47156 -29.13176 35.05809 1.000 32.58124 ? 57 VAL Z HG23 1 ATOM 3747 N N . THR C 2 79 ? -13.98805 -26.68354 38.78124 1.000 20.14397 ? 58 THR Z N 1 ATOM 3748 C CA . THR C 2 79 ? -14.02758 -25.59421 39.73539 1.000 20.41089 ? 58 THR Z CA 1 ATOM 3749 C C . THR C 2 79 ? -13.75716 -26.16297 41.11787 1.000 19.19347 ? 58 THR Z C 1 ATOM 3750 O O . THR C 2 79 ? -14.09823 -27.31116 41.41535 1.000 19.07370 ? 58 THR Z O 1 ATOM 3751 C CB . THR C 2 79 ? -15.36374 -24.86673 39.74235 1.000 25.65732 ? 58 THR Z CB 1 ATOM 3752 O OG1 . THR C 2 79 ? -16.39777 -25.77491 40.07477 1.000 26.94739 ? 58 THR Z OG1 1 ATOM 3753 C CG2 . THR C 2 79 ? -15.63402 -24.24489 38.38502 1.000 26.32116 ? 58 THR Z CG2 1 ATOM 3754 H H . THR C 2 79 ? -14.41833 -27.38631 39.02736 1.000 24.16953 ? 58 THR Z H 1 ATOM 3755 H HA . THR C 2 79 ? -13.34707 -24.94153 39.50777 1.000 24.48984 ? 58 THR Z HA 1 ATOM 3756 H HB . THR C 2 79 ? -15.34681 -24.15459 40.40074 1.000 30.78555 ? 58 THR Z HB 1 ATOM 3757 H HG1 . THR C 2 79 ? -17.14586 -25.43463 39.90107 1.000 32.33364 ? 58 THR Z HG1 1 ATOM 3758 H HG21 . THR C 2 79 ? -16.47739 -23.76598 38.40152 1.000 31.58216 ? 58 THR Z HG21 1 ATOM 3759 H HG22 . THR C 2 79 ? -14.92410 -23.62446 38.15705 1.000 31.58216 ? 58 THR Z HG22 1 ATOM 3760 H HG23 . THR C 2 79 ? -15.67787 -24.93633 37.70614 1.000 31.58216 ? 58 THR Z HG23 1 ATOM 3761 N N . CYS C 2 80 ? -13.13812 -25.35233 41.95281 1.000 19.95554 ? 59 CYS Z N 1 ATOM 3762 C CA . CYS C 2 80 ? -12.84958 -25.72332 43.32423 1.000 19.79364 ? 59 CYS Z CA 1 ATOM 3763 C C . CYS C 2 80 ? -13.33723 -24.62408 44.24996 1.000 18.12544 ? 59 CYS Z C 1 ATOM 3764 O O . CYS C 2 80 ? -13.46857 -23.45861 43.86108 1.000 19.70787 ? 59 CYS Z O 1 ATOM 3765 C CB . CYS C 2 80 ? -11.36795 -25.97677 43.55391 1.000 21.15011 ? 59 CYS Z CB 1 ATOM 3766 S SG . CYS C 2 80 ? -10.73444 -27.32126 42.59319 1.000 24.84915 ? 59 CYS Z SG 1 ATOM 3767 H H . CYS C 2 80 ? -12.86836 -24.56279 41.74435 1.000 23.94342 ? 59 CYS Z H 1 ATOM 3768 H HA . CYS C 2 80 ? -13.32272 -26.54277 43.53762 1.000 23.74913 ? 59 CYS Z HA 1 ATOM 3769 H HB2 . CYS C 2 80 ? -10.87195 -25.17843 43.31403 1.000 25.37690 ? 59 CYS Z HB2 1 ATOM 3770 H HB3 . CYS C 2 80 ? -11.22672 -26.18621 44.49044 1.000 25.37690 ? 59 CYS Z HB3 1 ATOM 3771 N N . CYS C 2 81 ? -13.59400 -25.01941 45.49678 1.000 18.00950 ? 60 CYS Z N 1 ATOM 3772 C CA . CYS C 2 81 ? -14.17620 -24.12445 46.48076 1.000 18.73984 ? 60 CYS Z CA 1 ATOM 3773 C C . CYS C 2 81 ? -13.79312 -24.66192 47.85116 1.000 17.26355 ? 60 CYS Z C 1 ATOM 3774 O O . CYS C 2 81 ? -13.32516 -25.79773 47.98661 1.000 17.32426 ? 60 CYS Z O 1 ATOM 3775 C CB . CYS C 2 81 ? -15.69442 -24.04868 46.28886 1.000 20.21965 ? 60 CYS Z CB 1 ATOM 3776 S SG . CYS C 2 81 ? -16.53668 -25.67067 46.28272 1.000 20.55962 ? 60 CYS Z SG 1 ATOM 3777 H H . CYS C 2 81 ? -13.43663 -25.81030 45.79563 1.000 21.60818 ? 60 CYS Z H 1 ATOM 3778 H HA . CYS C 2 81 ? -13.82593 -23.22302 46.40575 1.000 22.48458 ? 60 CYS Z HA 1 ATOM 3779 H HB2 . CYS C 2 81 ? -16.07181 -23.52478 47.01274 1.000 24.26035 ? 60 CYS Z HB2 1 ATOM 3780 H HB3 . CYS C 2 81 ? -15.87754 -23.61970 45.43836 1.000 24.26035 ? 60 CYS Z HB3 1 ATOM 3781 N N . SER C 2 82 ? -13.92482 -23.80924 48.85593 1.000 17.54171 ? 61 SER Z N 1 ATOM 3782 C CA . SER C 2 82 ? -13.32033 -24.10646 50.14845 1.000 18.60340 ? 61 SER Z CA 1 ATOM 3783 C C . SER C 2 82 ? -14.27063 -23.86127 51.31935 1.000 19.07194 ? 61 SER Z C 1 ATOM 3784 O O . SER C 2 82 ? -13.82883 -23.59004 52.43487 1.000 21.22215 ? 61 SER Z O 1 ATOM 3785 C CB . SER C 2 82 ? -12.00963 -23.34048 50.30367 1.000 22.54994 ? 61 SER Z CB 1 ATOM 3786 O OG . SER C 2 82 ? -12.22540 -21.96117 50.29207 1.000 26.10163 ? 61 SER Z OG 1 ATOM 3787 H H . SER C 2 82 ? -14.35215 -23.06400 48.81585 1.000 21.04682 ? 61 SER Z H 1 ATOM 3788 H HA . SER C 2 82 ? -13.11965 -25.05486 50.18252 1.000 22.32085 ? 61 SER Z HA 1 ATOM 3789 H HB2 . SER C 2 82 ? -11.59958 -23.58723 51.14739 1.000 27.05670 ? 61 SER Z HB2 1 ATOM 3790 H HB3 . SER C 2 82 ? -11.42113 -23.57260 49.56836 1.000 27.05670 ? 61 SER Z HB3 1 ATOM 3791 H HG . SER C 2 82 ? -12.72427 -21.74302 50.93171 1.000 31.31873 ? 61 SER Z HG 1 ATOM 3792 N N . THR C 2 83 ? -15.56878 -24.02458 51.10632 1.000 18.55237 ? 62 THR Z N 1 ATOM 3793 C CA . THR C 2 83 ? -16.52567 -24.10015 52.20093 1.000 18.94865 ? 62 THR Z CA 1 ATOM 3794 C C . THR C 2 83 ? -17.23629 -25.44738 52.17077 1.000 19.24242 ? 62 THR Z C 1 ATOM 3795 O O . THR C 2 83 ? -17.32959 -26.09796 51.13718 1.000 18.47925 ? 62 THR Z O 1 ATOM 3796 C CB . THR C 2 83 ? -17.52587 -22.96057 52.18444 1.000 20.28429 ? 62 THR Z CB 1 ATOM 3797 O OG1 . THR C 2 83 ? -18.23519 -22.96215 50.93941 1.000 21.05830 ? 62 THR Z OG1 1 ATOM 3798 C CG2 . THR C 2 83 ? -16.80395 -21.63803 52.38526 1.000 22.29840 ? 62 THR Z CG2 1 ATOM 3799 H H . THR C 2 83 ? -15.92405 -24.09511 50.32632 1.000 22.25961 ? 62 THR Z H 1 ATOM 3800 H HA . THR C 2 83 ? -16.04854 -24.03124 53.04265 1.000 22.73515 ? 62 THR Z HA 1 ATOM 3801 H HB . THR C 2 83 ? -18.16842 -23.06479 52.90359 1.000 24.33792 ? 62 THR Z HB 1 ATOM 3802 H HG1 . THR C 2 83 ? -18.82569 -22.36475 50.94443 1.000 25.26673 ? 62 THR Z HG1 1 ATOM 3803 H HG21 . THR C 2 83 ? -17.44854 -20.92173 52.49626 1.000 26.75485 ? 62 THR Z HG21 1 ATOM 3804 H HG22 . THR C 2 83 ? -16.24364 -21.68262 53.17581 1.000 26.75485 ? 62 THR Z HG22 1 ATOM 3805 H HG23 . THR C 2 83 ? -16.24700 -21.44381 51.61521 1.000 26.75485 ? 62 THR Z HG23 1 ATOM 3806 N N . ASP C 2 84 ? -17.73291 -25.88300 53.31879 1.000 20.06121 ? 63 ASP Z N 1 ATOM 3807 C CA . ASP C 2 84 ? -18.31330 -27.21507 53.38778 1.000 18.60696 ? 63 ASP Z CA 1 ATOM 3808 C C . ASP C 2 84 ? -19.42575 -27.36880 52.35233 1.000 17.83183 ? 63 ASP Z C 1 ATOM 3809 O O . ASP C 2 84 ? -20.29253 -26.50666 52.21752 1.000 18.76161 ? 63 ASP Z O 1 ATOM 3810 C CB . ASP C 2 84 ? -18.91579 -27.46647 54.76674 1.000 19.72785 ? 63 ASP Z CB 1 ATOM 3811 C CG . ASP C 2 84 ? -17.88294 -27.78278 55.81767 1.000 21.16727 ? 63 ASP Z CG 1 ATOM 3812 O OD1 . ASP C 2 84 ? -16.66664 -27.94191 55.52277 1.000 20.16162 ? 63 ASP Z OD1 1 ATOM 3813 O OD2 . ASP C 2 84 ? -18.28289 -27.89472 56.99303 1.000 25.02096 -1 63 ASP Z OD2 1 ATOM 3814 H H . ASP C 2 84 ? -17.74610 -25.43832 54.05478 1.000 24.07022 ? 63 ASP Z H 1 ATOM 3815 H HA . ASP C 2 84 ? -17.61157 -27.86330 53.21959 1.000 22.32512 ? 63 ASP Z HA 1 ATOM 3816 H HB2 . ASP C 2 84 ? -19.39536 -26.67224 55.04978 1.000 23.67020 ? 63 ASP Z HB2 1 ATOM 3817 H HB3 . ASP C 2 84 ? -19.52468 -28.21951 54.71119 1.000 23.67020 ? 63 ASP Z HB3 1 ATOM 3818 N N . LYS C 2 85 ? -19.41062 -28.49859 51.65393 1.000 17.88035 ? 64 LYS Z N 1 ATOM 3819 C CA . LYS C 2 85 ? -20.47028 -28.90058 50.73088 1.000 17.08946 ? 64 LYS Z CA 1 ATOM 3820 C C . LYS C 2 85 ? -20.67765 -27.90159 49.60252 1.000 17.10266 ? 64 LYS Z C 1 ATOM 3821 O O . LYS C 2 85 ? -21.75129 -27.84028 49.00416 1.000 16.67545 ? 64 LYS Z O 1 ATOM 3822 C CB . LYS C 2 85 ? -21.76102 -29.17708 51.48740 1.000 18.35632 ? 64 LYS Z CB 1 ATOM 3823 C CG . LYS C 2 85 ? -21.65788 -30.45218 52.30181 1.000 24.80264 ? 64 LYS Z CG 1 ATOM 3824 C CD . LYS C 2 85 ? -22.93501 -30.70606 53.07661 1.000 32.23231 ? 64 LYS Z CD 1 ATOM 3825 C CE . LYS C 2 85 ? -22.63899 -30.64009 54.55416 1.000 42.78272 ? 64 LYS Z CE 1 ATOM 3826 N NZ . LYS C 2 85 ? -23.79621 -31.15786 55.33153 1.000 42.72876 ? 64 LYS Z NZ 1 ATOM 3827 H H . LYS C 2 85 ? -18.77241 -29.07334 51.69798 1.000 21.45319 ? 64 LYS Z H 1 ATOM 3828 H HA . LYS C 2 85 ? -20.20070 -29.72440 50.29549 1.000 20.50412 ? 64 LYS Z HA 1 ATOM 3829 H HB2 . LYS C 2 85 ? -21.94337 -28.44079 52.09199 1.000 22.02435 ? 64 LYS Z HB2 1 ATOM 3830 H HB3 . LYS C 2 85 ? -22.48977 -29.27518 50.85479 1.000 22.02435 ? 64 LYS Z HB3 1 ATOM 3831 H HG2 . LYS C 2 85 ? -21.50462 -31.20360 51.70785 1.000 29.75994 ? 64 LYS Z HG2 1 ATOM 3832 H HG3 . LYS C 2 85 ? -20.92595 -30.37396 52.93352 1.000 29.75994 ? 64 LYS Z HG3 1 ATOM 3833 H HD2 . LYS C 2 85 ? -23.59434 -30.02925 52.85728 1.000 38.67555 ? 64 LYS Z HD2 1 ATOM 3834 H HD3 . LYS C 2 85 ? -23.28060 -31.58711 52.86397 1.000 38.67555 ? 64 LYS Z HD3 1 ATOM 3835 H HE2 . LYS C 2 85 ? -21.86111 -31.18340 54.75571 1.000 51.33604 ? 64 LYS Z HE2 1 ATOM 3836 H HE3 . LYS C 2 85 ? -22.47705 -29.71962 54.81376 1.000 51.33604 ? 64 LYS Z HE3 1 ATOM 3837 H HZ1 . LYS C 2 85 ? -23.62039 -31.11667 56.20302 1.000 51.27128 ? 64 LYS Z HZ1 1 ATOM 3838 H HZ2 . LYS C 2 85 ? -24.52084 -30.67054 55.15972 1.000 51.27128 ? 64 LYS Z HZ2 1 ATOM 3839 H HZ3 . LYS C 2 85 ? -23.95800 -32.00432 55.10921 1.000 51.27128 ? 64 LYS Z HZ3 1 ATOM 3840 N N . CYS C 2 86 ? -19.63349 -27.15256 49.27575 1.000 17.83855 ? 65 CYS Z N 1 ATOM 3841 C CA . CYS C 2 86 ? -19.72082 -26.11161 48.25893 1.000 16.33899 ? 65 CYS Z CA 1 ATOM 3842 C C . CYS C 2 86 ? -19.79318 -26.63593 46.82824 1.000 15.61544 ? 65 CYS Z C 1 ATOM 3843 O O . CYS C 2 86 ? -20.02665 -25.82734 45.92192 1.000 16.53407 ? 65 CYS Z O 1 ATOM 3844 C CB . CYS C 2 86 ? -18.55483 -25.14376 48.42542 1.000 18.20880 ? 65 CYS Z CB 1 ATOM 3845 S SG . CYS C 2 86 ? -16.92094 -25.89539 48.24212 1.000 18.95558 ? 65 CYS Z SG 1 ATOM 3846 H H . CYS C 2 86 ? -18.85427 -27.22767 49.63181 1.000 21.40303 ? 65 CYS Z H 1 ATOM 3847 H HA . CYS C 2 86 ? -20.54294 -25.61546 48.39623 1.000 19.60355 ? 65 CYS Z HA 1 ATOM 3848 H HB2 . CYS C 2 86 ? -18.63363 -24.44761 47.75456 1.000 21.84733 ? 65 CYS Z HB2 1 ATOM 3849 H HB3 . CYS C 2 86 ? -18.60049 -24.75566 49.31322 1.000 21.84733 ? 65 CYS Z HB3 1 ATOM 3850 N N . ASN C 2 87 ? -19.66307 -27.94408 46.62648 1.000 15.41948 ? 66 ASN Z N 1 ATOM 3851 C CA . ASN C 2 87 ? -19.58817 -28.57768 45.30769 1.000 15.71471 ? 66 ASN Z CA 1 ATOM 3852 C C . ASN C 2 87 ? -20.73031 -29.56593 45.07652 1.000 15.52407 ? 66 ASN Z C 1 ATOM 3853 O O . ASN C 2 87 ? -20.49508 -30.74901 44.83531 1.000 15.24389 ? 66 ASN Z O 1 ATOM 3854 C CB . ASN C 2 87 ? -18.25761 -29.31621 45.17971 1.000 15.98702 ? 66 ASN Z CB 1 ATOM 3855 C CG . ASN C 2 87 ? -18.14943 -30.50464 46.12589 1.000 15.41365 ? 66 ASN Z CG 1 ATOM 3856 O OD1 . ASN C 2 87 ? -18.69794 -30.48458 47.23358 1.000 14.74042 ? 66 ASN Z OD1 1 ATOM 3857 N ND2 . ASN C 2 87 ? -17.41498 -31.52162 45.72109 1.000 16.42751 ? 66 ASN Z ND2 1 ATOM 3858 H H . ASN C 2 87 ? -19.61343 -28.51464 47.26804 1.000 18.50015 ? 66 ASN Z H 1 ATOM 3859 H HA . ASN C 2 87 ? -19.66929 -27.88176 44.63686 1.000 18.85442 ? 66 ASN Z HA 1 ATOM 3860 H HB2 . ASN C 2 87 ? -18.16529 -29.64609 44.27221 1.000 19.18119 ? 66 ASN Z HB2 1 ATOM 3861 H HB3 . ASN C 2 87 ? -17.53472 -28.70283 45.38488 1.000 19.18119 ? 66 ASN Z HB3 1 ATOM 3862 H HD21 . ASN C 2 87 ? -17.32572 -32.21427 46.22296 1.000 19.70979 ? 66 ASN Z HD21 1 ATOM 3863 H HD22 . ASN C 2 87 ? -17.02506 -31.49248 44.95512 1.000 19.70979 ? 66 ASN Z HD22 1 ATOM 3864 N N . PRO C 2 88 ? -21.97809 -29.12329 45.12159 1.000 16.03495 ? 67 PRO Z N 1 ATOM 3865 C CA . PRO C 2 88 ? -23.08455 -30.07292 44.96424 1.000 16.36484 ? 67 PRO Z CA 1 ATOM 3866 C C . PRO C 2 88 ? -23.24331 -30.56898 43.53101 1.000 16.18181 ? 67 PRO Z C 1 ATOM 3867 O O . PRO C 2 88 ? -22.96019 -29.86616 42.54198 1.000 17.66443 ? 67 PRO Z O 1 ATOM 3868 C CB . PRO C 2 88 ? -24.30178 -29.24132 45.37782 1.000 18.19598 ? 67 PRO Z CB 1 ATOM 3869 C CG . PRO C 2 88 ? -23.92092 -27.82717 44.95647 1.000 17.92889 ? 67 PRO Z CG 1 ATOM 3870 C CD . PRO C 2 88 ? -22.45235 -27.74524 45.36074 1.000 16.82666 ? 67 PRO Z CD 1 ATOM 3871 H HA . PRO C 2 88 ? -22.95936 -30.83361 45.55294 1.000 19.63458 ? 67 PRO Z HA 1 ATOM 3872 H HB2 . PRO C 2 88 ? -25.09407 -29.54800 44.90971 1.000 21.83195 ? 67 PRO Z HB2 1 ATOM 3873 H HB3 . PRO C 2 88 ? -24.43944 -29.29926 46.33625 1.000 21.83195 ? 67 PRO Z HB3 1 ATOM 3874 H HG2 . PRO C 2 88 ? -24.03306 -27.71517 43.99951 1.000 21.51144 ? 67 PRO Z HG2 1 ATOM 3875 H HG3 . PRO C 2 88 ? -24.45762 -27.17399 45.43209 1.000 21.51144 ? 67 PRO Z HG3 1 ATOM 3876 H HD2 . PRO C 2 88 ? -21.97307 -27.11062 44.80535 1.000 20.18876 ? 67 PRO Z HD2 1 ATOM 3877 H HD3 . PRO C 2 88 ? -22.36142 -27.50289 46.29556 1.000 20.18876 ? 67 PRO Z HD3 1 ATOM 3878 N N . HIS C 2 89 ? -23.76831 -31.78987 43.44056 1.000 15.56325 ? 68 HIS Z N 1 ATOM 3879 C CA . HIS C 2 89 ? -24.28076 -32.29852 42.18190 1.000 14.87746 ? 68 HIS Z CA 1 ATOM 3880 C C . HIS C 2 89 ? -25.43718 -31.39149 41.74849 1.000 15.99812 ? 68 HIS Z C 1 ATOM 3881 O O . HIS C 2 89 ? -26.13022 -30.80548 42.59017 1.000 15.27531 ? 68 HIS Z O 1 ATOM 3882 C CB . HIS C 2 89 ? -24.80218 -33.71659 42.40177 1.000 14.54927 ? 68 HIS Z CB 1 ATOM 3883 C CG . HIS C 2 89 ? -25.19780 -34.41710 41.15244 1.000 14.99481 ? 68 HIS Z CG 1 ATOM 3884 N ND1 . HIS C 2 89 ? -26.44149 -34.24257 40.57506 1.000 16.90111 ? 68 HIS Z ND1 1 ATOM 3885 C CD2 . HIS C 2 89 ? -24.53869 -35.29715 40.36743 1.000 17.31032 ? 68 HIS Z CD2 1 ATOM 3886 C CE1 . HIS C 2 89 ? -26.50662 -34.95441 39.47258 1.000 17.91372 ? 68 HIS Z CE1 1 ATOM 3887 N NE2 . HIS C 2 89 ? -25.37366 -35.62608 39.33188 1.000 17.45109 ? 68 HIS Z NE2 1 ATOM 3888 H H . HIS C 2 89 ? -23.83766 -32.34119 44.09695 1.000 18.67267 ? 68 HIS Z H 1 ATOM 3889 H HA . HIS C 2 89 ? -23.59884 -32.31535 41.49226 1.000 17.84972 ? 68 HIS Z HA 1 ATOM 3890 H HB2 . HIS C 2 89 ? -24.10551 -34.24150 42.82607 1.000 17.45590 ? 68 HIS Z HB2 1 ATOM 3891 H HB3 . HIS C 2 89 ? -25.58268 -33.67507 42.97623 1.000 17.45590 ? 68 HIS Z HB3 1 ATOM 3892 H HD2 . HIS C 2 89 ? -23.67739 -35.62007 40.50453 1.000 20.76916 ? 68 HIS Z HD2 1 ATOM 3893 H HE1 . HIS C 2 89 ? -27.22902 -34.98210 38.88753 1.000 21.49323 ? 68 HIS Z HE1 1 ATOM 3894 H HE2 . HIS C 2 89 ? -25.19236 -36.17671 38.69663 1.000 20.93808 ? 68 HIS Z HE2 1 ATOM 3895 N N . PRO C 2 90 ? -25.64815 -31.22413 40.44198 1.000 16.87302 ? 69 PRO Z N 1 ATOM 3896 C CA . PRO C 2 90 ? -26.79246 -30.41317 39.98741 1.000 17.57715 ? 69 PRO Z CA 1 ATOM 3897 C C . PRO C 2 90 ? -28.10895 -30.77841 40.62509 1.000 17.97110 ? 69 PRO Z C 1 ATOM 3898 O O . PRO C 2 90 ? -28.95907 -29.89689 40.76948 1.000 20.83934 ? 69 PRO Z O 1 ATOM 3899 C CB . PRO C 2 90 ? -26.79686 -30.65698 38.46440 1.000 19.36108 ? 69 PRO Z CB 1 ATOM 3900 C CG . PRO C 2 90 ? -25.37274 -30.92175 38.12437 1.000 19.94066 ? 69 PRO Z CG 1 ATOM 3901 C CD . PRO C 2 90 ? -24.78534 -31.64191 39.31833 1.000 17.99626 ? 69 PRO Z CD 1 ATOM 3902 H HA . PRO C 2 90 ? -26.61889 -29.47548 40.16488 1.000 21.08935 ? 69 PRO Z HA 1 ATOM 3903 H HB2 . PRO C 2 90 ? -27.35418 -31.42201 38.25225 1.000 23.23007 ? 69 PRO Z HB2 1 ATOM 3904 H HB3 . PRO C 2 90 ? -27.12500 -29.86934 38.00304 1.000 23.23007 ? 69 PRO Z HB3 1 ATOM 3905 H HG2 . PRO C 2 90 ? -25.32445 -31.47751 37.33083 1.000 23.92557 ? 69 PRO Z HG2 1 ATOM 3906 H HG3 . PRO C 2 90 ? -24.91242 -30.08204 37.96982 1.000 23.92557 ? 69 PRO Z HG3 1 ATOM 3907 H HD2 . PRO C 2 90 ? -24.82577 -32.60299 39.19347 1.000 21.59229 ? 69 PRO Z HD2 1 ATOM 3908 H HD3 . PRO C 2 90 ? -23.86789 -31.36522 39.46878 1.000 21.59229 ? 69 PRO Z HD3 1 ATOM 3909 N N . LYS C 2 91 ? -28.32023 -32.03811 40.99954 1.000 18.55706 ? 70 LYS Z N 1 ATOM 3910 C CA . LYS C 2 91 ? -29.58081 -32.46071 41.58568 1.000 19.02744 ? 70 LYS Z CA 1 ATOM 3911 C C . LYS C 2 91 ? -29.61268 -32.28135 43.09196 1.000 19.82612 ? 70 LYS Z C 1 ATOM 3912 O O . LYS C 2 91 ? -30.66228 -32.52265 43.70821 1.000 22.36596 ? 70 LYS Z O 1 ATOM 3913 C CB . LYS C 2 91 ? -29.85022 -33.91856 41.19905 1.000 20.97747 ? 70 LYS Z CB 1 ATOM 3914 C CG . LYS C 2 91 ? -30.21476 -34.07773 39.72687 1.000 22.23416 ? 70 LYS Z CG 1 ATOM 3915 C CD . LYS C 2 91 ? -31.43799 -33.22485 39.32604 1.000 25.67384 ? 70 LYS Z CD 1 ATOM 3916 C CE . LYS C 2 91 ? -31.71150 -33.19181 37.82723 1.000 29.26349 ? 70 LYS Z CE 1 ATOM 3917 N NZ . LYS C 2 91 ? -30.73213 -32.38166 37.02623 1.000 27.25330 ? 70 LYS Z NZ 1 ATOM 3918 H H . LYS C 2 91 ? -27.74108 -32.66912 40.92196 1.000 22.26524 ? 70 LYS Z H 1 ATOM 3919 H HA . LYS C 2 91 ? -30.30735 -31.92687 41.22785 1.000 22.82969 ? 70 LYS Z HA 1 ATOM 3920 H HB2 . LYS C 2 91 ? -29.05264 -34.44349 41.36998 1.000 25.16973 ? 70 LYS Z HB2 1 ATOM 3921 H HB3 . LYS C 2 91 ? -30.58896 -34.25506 41.73002 1.000 25.16973 ? 70 LYS Z HB3 1 ATOM 3922 H HG2 . LYS C 2 91 ? -29.46240 -33.79942 39.18153 1.000 26.67777 ? 70 LYS Z HG2 1 ATOM 3923 H HG3 . LYS C 2 91 ? -30.42602 -35.00793 39.55080 1.000 26.67777 ? 70 LYS Z HG3 1 ATOM 3924 H HD2 . LYS C 2 91 ? -32.22588 -33.58764 39.76022 1.000 30.80538 ? 70 LYS Z HD2 1 ATOM 3925 H HD3 . LYS C 2 91 ? -31.28944 -32.31166 39.61745 1.000 30.80538 ? 70 LYS Z HD3 1 ATOM 3926 H HE2 . LYS C 2 91 ? -31.68361 -34.10029 37.48842 1.000 35.11296 ? 70 LYS Z HE2 1 ATOM 3927 H HE3 . LYS C 2 91 ? -32.59166 -32.81065 37.68255 1.000 35.11296 ? 70 LYS Z HE3 1 ATOM 3928 H HZ1 . LYS C 2 91 ? -30.64271 -31.57162 37.38392 1.000 32.70073 ? 70 LYS Z HZ1 1 ATOM 3929 H HZ2 . LYS C 2 91 ? -29.93813 -32.78367 37.01949 1.000 32.70073 ? 70 LYS Z HZ2 1 ATOM 3930 H HZ3 . LYS C 2 91 ? -31.02025 -32.29724 36.18840 1.000 32.70073 ? 70 LYS Z HZ3 1 ATOM 3931 N N . GLN C 2 92 ? -28.50869 -31.83956 43.68501 1.000 17.87367 ? 71 GLN Z N 1 ATOM 3932 C CA . GLN C 2 92 ? -28.41111 -31.67221 45.13270 1.000 18.14873 ? 71 GLN Z CA 1 ATOM 3933 C C . GLN C 2 92 ? -28.06654 -30.24075 45.51642 1.000 18.53800 ? 71 GLN Z C 1 ATOM 3934 O O . GLN C 2 92 ? -27.50526 -29.99980 46.58018 1.000 19.60739 ? 71 GLN Z O 1 ATOM 3935 C CB . GLN C 2 92 ? -27.40680 -32.66979 45.71285 1.000 18.61536 ? 71 GLN Z CB 1 ATOM 3936 C CG . GLN C 2 92 ? -27.90388 -34.08873 45.59784 1.000 20.00085 ? 71 GLN Z CG 1 ATOM 3937 C CD . GLN C 2 92 ? -27.20665 -35.05324 46.51634 1.000 20.01415 ? 71 GLN Z CD 1 ATOM 3938 O OE1 . GLN C 2 92 ? -26.08386 -34.81750 46.92108 1.000 21.57874 ? 71 GLN Z OE1 1 ATOM 3939 N NE2 . GLN C 2 92 ? -27.87605 -36.13446 46.86323 1.000 21.63514 ? 71 GLN Z NE2 1 ATOM 3940 H H . GLN C 2 92 ? -27.78992 -31.62617 43.26378 1.000 21.44517 ? 71 GLN Z H 1 ATOM 3941 H HA . GLN C 2 92 ? -29.27188 -31.86698 45.53522 1.000 21.77524 ? 71 GLN Z HA 1 ATOM 3942 H HB2 . GLN C 2 92 ? -26.56948 -32.59948 45.22825 1.000 22.33520 ? 71 GLN Z HB2 1 ATOM 3943 H HB3 . GLN C 2 92 ? -27.26447 -32.47138 46.65162 1.000 22.33520 ? 71 GLN Z HB3 1 ATOM 3944 H HG2 . GLN C 2 92 ? -28.84940 -34.10646 45.81364 1.000 23.99779 ? 71 GLN Z HG2 1 ATOM 3945 H HG3 . GLN C 2 92 ? -27.76546 -34.39493 44.68791 1.000 23.99779 ? 71 GLN Z HG3 1 ATOM 3946 H HE21 . GLN C 2 92 ? -28.67295 -36.26080 46.56558 1.000 25.95894 ? 71 GLN Z HE21 1 ATOM 3947 H HE22 . GLN C 2 92 ? -27.51590 -36.71356 47.38719 1.000 25.95894 ? 71 GLN Z HE22 1 ATOM 3948 N N . ARG C 2 93 ? -28.39219 -29.28261 44.67421 1.000 19.68961 ? 72 ARG Z N 1 ATOM 3949 C CA . ARG C 2 93 ? -28.18162 -27.88976 45.01460 1.000 20.71564 ? 72 ARG Z CA 1 ATOM 3950 C C . ARG C 2 93 ? -29.13937 -27.50800 46.12830 1.000 21.77610 ? 72 ARG Z C 1 ATOM 3951 O O . ARG C 2 93 ? -30.16465 -28.15548 46.32924 1.000 22.57041 ? 72 ARG Z O 1 ATOM 3952 C CB . ARG C 2 93 ? -28.43823 -27.00768 43.79666 1.000 21.54800 ? 72 ARG Z CB 1 ATOM 3953 C CG . ARG C 2 93 ? -27.37619 -27.15459 42.73089 1.000 24.44626 ? 72 ARG Z CG 1 ATOM 3954 C CD . ARG C 2 93 ? -27.81528 -26.57761 41.36716 1.000 29.52360 ? 72 ARG Z CD 1 ATOM 3955 N NE . ARG C 2 93 ? -28.17607 -25.16472 41.38832 1.000 36.15872 ? 72 ARG Z NE 1 ATOM 3956 C CZ . ARG C 2 93 ? -27.46714 -24.19619 40.81581 1.000 47.15974 ? 72 ARG Z CZ 1 ATOM 3957 N NH1 . ARG C 2 93 ? -26.28748 -24.43229 40.26203 1.000 66.86406 ? 72 ARG Z NH1 1 ATOM 3958 N NH2 . ARG C 2 93 ? -27.95135 -22.95861 40.79489 1.000 40.12207 ? 72 ARG Z NH2 1 ATOM 3959 H H . ARG C 2 93 ? -28.73758 -29.41047 43.89707 1.000 23.62430 ? 72 ARG Z H 1 ATOM 3960 H HA . ARG C 2 93 ? -27.26792 -27.74488 45.30624 1.000 24.85553 ? 72 ARG Z HA 1 ATOM 3961 H HB2 . ARG C 2 93 ? -29.29168 -27.25119 43.40523 1.000 25.85438 ? 72 ARG Z HB2 1 ATOM 3962 H HB3 . ARG C 2 93 ? -28.45488 -26.07940 44.07758 1.000 25.85438 ? 72 ARG Z HB3 1 ATOM 3963 H HG2 . ARG C 2 93 ? -26.57727 -26.68223 43.01284 1.000 29.33228 ? 72 ARG Z HG2 1 ATOM 3964 H HG3 . ARG C 2 93 ? -27.17889 -28.09636 42.60825 1.000 29.33228 ? 72 ARG Z HG3 1 ATOM 3965 H HD2 . ARG C 2 93 ? -27.08409 -26.68187 40.73835 1.000 35.42509 ? 72 ARG Z HD2 1 ATOM 3966 H HD3 . ARG C 2 93 ? -28.59107 -27.07148 41.05871 1.000 35.42509 ? 72 ARG Z HD3 1 ATOM 3967 H HE . ARG C 2 93 ? -28.89775 -24.94235 41.79982 1.000 43.38723 ? 72 ARG Z HE 1 ATOM 3968 H HH11 . ARG C 2 93 ? -25.96175 -25.22821 40.26687 1.000 80.23364 ? 72 ARG Z HH11 1 ATOM 3969 H HH12 . ARG C 2 93 ? -25.84719 -23.78970 39.89760 1.000 80.23364 ? 72 ARG Z HH12 1 ATOM 3970 H HH21 . ARG C 2 93 ? -28.71651 -22.79018 41.14952 1.000 48.14326 ? 72 ARG Z HH21 1 ATOM 3971 H HH22 . ARG C 2 93 ? -27.49950 -22.32625 40.42672 1.000 48.14326 ? 72 ARG Z HH22 1 ATOM 3972 N N . PRO C 2 94 ? -28.81616 -26.46458 46.88417 1.000 22.46686 ? 73 PRO Z N 1 ATOM 3973 C CA . PRO C 2 94 ? -29.73051 -26.03947 47.95469 1.000 24.67564 ? 73 PRO Z CA 1 ATOM 3974 C C . PRO C 2 94 ? -31.09515 -25.55427 47.45339 1.000 26.47583 ? 73 PRO Z C 1 ATOM 3975 O O . PRO C 2 94 ? -32.02813 -25.45432 48.26115 1.000 28.03983 ? 73 PRO Z O 1 ATOM 3976 C CB . PRO C 2 94 ? -28.95152 -24.94271 48.69060 1.000 24.17902 ? 73 PRO Z CB 1 ATOM 3977 C CG . PRO C 2 94 ? -27.71510 -24.70243 47.92021 1.000 25.61236 ? 73 PRO Z CG 1 ATOM 3978 C CD . PRO C 2 94 ? -27.50396 -25.80347 46.94443 1.000 22.28157 ? 73 PRO Z CD 1 ATOM 3979 H HA . PRO C 2 94 ? -29.87415 -26.76919 48.57741 1.000 29.60754 ? 73 PRO Z HA 1 ATOM 3980 H HB2 . PRO C 2 94 ? -29.48959 -24.13660 48.73010 1.000 29.01160 ? 73 PRO Z HB2 1 ATOM 3981 H HB3 . PRO C 2 94 ? -28.73986 -25.24460 49.58779 1.000 29.01160 ? 73 PRO Z HB3 1 ATOM 3982 H HG2 . PRO C 2 94 ? -27.80181 -23.85870 47.44958 1.000 30.73160 ? 73 PRO Z HG2 1 ATOM 3983 H HG3 . PRO C 2 94 ? -26.96779 -24.66280 48.53735 1.000 30.73160 ? 73 PRO Z HG3 1 ATOM 3984 H HD2 . PRO C 2 94 ? -27.25562 -25.45087 46.07558 1.000 26.73466 ? 73 PRO Z HD2 1 ATOM 3985 H HD3 . PRO C 2 94 ? -26.82289 -26.41775 47.26019 1.000 26.73466 ? 73 PRO Z HD3 1 ATOM 3986 N N . GLY C 2 95 ? -31.25164 -25.26629 46.16336 1.000 26.64892 ? 74 GLY Z N 1 ATOM 3987 C CA . GLY C 2 95 ? -32.55217 -24.89388 45.63054 1.000 29.14556 ? 74 GLY Z CA 1 ATOM 3988 C C . GLY C 2 95 ? -32.41583 -24.38636 44.21283 1.000 30.76052 ? 74 GLY Z C 1 ATOM 3989 O O . GLY C 2 95 ? -33.38286 -23.99627 43.53459 1.000 31.60427 ? 74 GLY Z O 1 ATOM 3990 O OXT . GLY C 2 95 ? -31.28224 -24.36721 43.72889 1.000 32.84435 -1 74 GLY Z OXT 1 ATOM 3991 H H . GLY C 2 95 ? -30.61966 -25.28025 45.58026 1.000 31.97548 ? 74 GLY Z H 1 ATOM 3992 H HA2 . GLY C 2 95 ? -33.14112 -25.66461 45.63312 1.000 34.97144 ? 74 GLY Z HA2 1 ATOM 3993 H HA3 . GLY C 2 95 ? -32.94367 -24.19543 46.17806 1.000 34.97144 ? 74 GLY Z HA3 1 ATOM 3994 N N . GLN D 3 2 ? -26.78762 -62.87860 33.33550 1.000 69.20074 ? 1 GLN I N 1 ATOM 3995 C CA . GLN D 3 2 ? -27.72969 -61.88291 32.75144 1.000 70.06871 ? 1 GLN I CA 1 ATOM 3996 C C . GLN D 3 2 ? -28.61198 -61.28629 33.84684 1.000 65.93151 ? 1 GLN I C 1 ATOM 3997 O O . GLN D 3 2 ? -29.04058 -61.98783 34.76405 1.000 70.78305 ? 1 GLN I O 1 ATOM 3998 C CB . GLN D 3 2 ? -28.60071 -62.53313 31.67671 1.000 78.38733 ? 1 GLN I CB 1 ATOM 3999 C CG . GLN D 3 2 ? -29.60026 -63.53828 32.20791 1.000 84.43921 ? 1 GLN I CG 1 ATOM 4000 C CD . GLN D 3 2 ? -30.93104 -63.47367 31.47750 1.000 90.16856 ? 1 GLN I CD 1 ATOM 4001 O OE1 . GLN D 3 2 ? -30.98499 -63.38327 30.25452 1.000 100.63202 ? 1 GLN I OE1 1 ATOM 4002 N NE2 . GLN D 3 2 ? -32.01179 -63.50736 32.23189 1.000 89.69848 ? 1 GLN I NE2 1 ATOM 4003 H H . GLN D 3 2 ? -26.31333 -63.25603 32.68381 1.000 83.03766 ? 1 GLN I H 1 ATOM 4004 H HA . GLN D 3 2 ? -27.22533 -61.16791 32.33276 1.000 84.07922 ? 1 GLN I HA 1 ATOM 4005 H HB2 . GLN D 3 2 ? -29.09848 -61.83766 31.21907 1.000 94.06156 ? 1 GLN I HB2 1 ATOM 4006 H HB3 . GLN D 3 2 ? -28.02395 -62.99606 31.04905 1.000 94.06156 ? 1 GLN I HB3 1 ATOM 4007 H HG2 . GLN D 3 2 ? -29.23984 -64.43223 32.09906 1.000 101.32382 ? 1 GLN I HG2 1 ATOM 4008 H HG3 . GLN D 3 2 ? -29.76291 -63.35823 33.14707 1.000 101.32382 ? 1 GLN I HG3 1 ATOM 4009 H HE21 . GLN D 3 2 ? -31.93781 -63.56302 33.08689 1.000 107.63494 ? 1 GLN I HE21 1 ATOM 4010 H HE22 . GLN D 3 2 ? -32.79074 -63.47367 31.86896 1.000 107.63494 ? 1 GLN I HE22 1 ATOM 4011 N N . VAL D 3 3 ? -28.89681 -59.99102 33.74115 1.000 61.27263 ? 2 VAL I N 1 ATOM 4012 C CA . VAL D 3 3 ? -29.70599 -59.33152 34.75348 1.000 55.61713 ? 2 VAL I CA 1 ATOM 4013 C C . VAL D 3 3 ? -31.16274 -59.73380 34.57868 1.000 44.09343 ? 2 VAL I C 1 ATOM 4014 O O . VAL D 3 3 ? -31.67580 -59.83754 33.45474 1.000 41.04493 ? 2 VAL I O 1 ATOM 4015 C CB . VAL D 3 3 ? -29.52143 -57.80773 34.67257 1.000 58.10431 ? 2 VAL I CB 1 ATOM 4016 C CG1 . VAL D 3 3 ? -30.08796 -57.13636 35.91349 1.000 58.56221 ? 2 VAL I CG1 1 ATOM 4017 C CG2 . VAL D 3 3 ? -28.03993 -57.47056 34.48681 1.000 59.61972 ? 2 VAL I CG2 1 ATOM 4018 H H . VAL D 3 3 ? -28.63585 -59.48035 33.10029 1.000 73.52393 ? 2 VAL I H 1 ATOM 4019 H HA . VAL D 3 3 ? -29.41836 -59.61864 35.63423 1.000 66.73733 ? 2 VAL I HA 1 ATOM 4020 H HB . VAL D 3 3 ? -30.00714 -57.46337 33.90680 1.000 69.72194 ? 2 VAL I HB 1 ATOM 4021 H HG11 . VAL D 3 3 ? -29.88115 -56.18918 35.88239 1.000 70.27142 ? 2 VAL I HG11 1 ATOM 4022 H HG12 . VAL D 3 3 ? -31.04928 -57.26464 35.93093 1.000 70.27142 ? 2 VAL I HG12 1 ATOM 4023 H HG13 . VAL D 3 3 ? -29.68647 -57.53693 36.70042 1.000 70.27142 ? 2 VAL I HG13 1 ATOM 4024 H HG21 . VAL D 3 3 ? -27.87555 -56.57497 34.82116 1.000 71.54043 ? 2 VAL I HG21 1 ATOM 4025 H HG22 . VAL D 3 3 ? -27.50574 -58.11154 34.98148 1.000 71.54043 ? 2 VAL I HG22 1 ATOM 4026 H HG23 . VAL D 3 3 ? -27.82155 -57.51650 33.54283 1.000 71.54043 ? 2 VAL I HG23 1 ATOM 4027 N N . GLN D 3 4 ? -31.83020 -59.97502 35.70079 1.000 39.26849 ? 3 GLN I N 1 ATOM 4028 C CA . GLN D 3 4 ? -33.22035 -60.39915 35.72070 1.000 38.30523 ? 3 GLN I CA 1 ATOM 4029 C C . GLN D 3 4 ? -33.94444 -59.66063 36.83103 1.000 30.37617 ? 3 GLN I C 1 ATOM 4030 O O . GLN D 3 4 ? -33.36272 -59.34569 37.86780 1.000 29.31873 ? 3 GLN I O 1 ATOM 4031 C CB . GLN D 3 4 ? -33.34831 -61.89921 35.96852 1.000 49.23833 ? 3 GLN I CB 1 ATOM 4032 C CG . GLN D 3 4 ? -33.29000 -62.71476 34.69883 1.000 59.74681 ? 3 GLN I CG 1 ATOM 4033 C CD . GLN D 3 4 ? -34.17997 -63.93077 34.76100 1.000 62.96144 ? 3 GLN I CD 1 ATOM 4034 O OE1 . GLN D 3 4 ? -34.88998 -64.25257 33.80675 1.000 65.13479 ? 3 GLN I OE1 1 ATOM 4035 N NE2 . GLN D 3 4 ? -34.18870 -64.58497 35.90979 1.000 63.34085 ? 3 GLN I NE2 1 ATOM 4036 H H . GLN D 3 4 ? -31.48781 -59.89725 36.48585 1.000 47.11896 ? 3 GLN I H 1 ATOM 4037 H HA . GLN D 3 4 ? -33.63245 -60.18484 34.86914 1.000 45.96305 ? 3 GLN I HA 1 ATOM 4038 H HB2 . GLN D 3 4 ? -32.62093 -62.18647 36.54237 1.000 59.08277 ? 3 GLN I HB2 1 ATOM 4039 H HB3 . GLN D 3 4 ? -34.19968 -62.07554 36.39862 1.000 59.08277 ? 3 GLN I HB3 1 ATOM 4040 H HG2 . GLN D 3 4 ? -33.58053 -62.16533 33.95410 1.000 71.69295 ? 3 GLN I HG2 1 ATOM 4041 H HG3 . GLN D 3 4 ? -32.37873 -63.01419 34.55453 1.000 71.69295 ? 3 GLN I HG3 1 ATOM 4042 H HE21 . GLN D 3 4 ? -33.70488 -64.30943 36.56522 1.000 76.00579 ? 3 GLN I HE21 1 ATOM 4043 H HE22 . GLN D 3 4 ? -34.67821 -65.28607 36.00166 1.000 76.00579 ? 3 GLN I HE22 1 ATOM 4044 N N . LEU D 3 5 ? -35.21868 -59.37803 36.60014 1.000 25.84823 ? 4 LEU I N 1 ATOM 4045 C CA . LEU D 3 5 ? -36.06617 -58.71538 37.58376 1.000 24.44384 ? 4 LEU I CA 1 ATOM 4046 C C . LEU D 3 5 ? -37.23460 -59.64441 37.88412 1.000 23.60004 ? 4 LEU I C 1 ATOM 4047 O O . LEU D 3 5 ? -37.95544 -60.04617 36.96287 1.000 24.72218 ? 4 LEU I O 1 ATOM 4048 C CB . LEU D 3 5 ? -36.58699 -57.37427 37.05653 1.000 24.45055 ? 4 LEU I CB 1 ATOM 4049 C CG . LEU D 3 5 ? -35.54489 -56.29248 36.77180 1.000 25.47432 ? 4 LEU I CG 1 ATOM 4050 C CD1 . LEU D 3 5 ? -36.24047 -55.07586 36.19752 1.000 24.87215 ? 4 LEU I CD1 1 ATOM 4051 C CD2 . LEU D 3 5 ? -34.79849 -55.93293 38.02763 1.000 27.32052 ? 4 LEU I CD2 1 ATOM 4052 H H . LEU D 3 5 ? -35.62467 -59.56407 35.86519 1.000 31.01464 ? 4 LEU I H 1 ATOM 4053 H HA . LEU D 3 5 ? -35.56176 -58.54849 38.39532 1.000 29.32937 ? 4 LEU I HA 1 ATOM 4054 H HB2 . LEU D 3 5 ? -37.05617 -57.54200 36.22429 1.000 29.33742 ? 4 LEU I HB2 1 ATOM 4055 H HB3 . LEU D 3 5 ? -37.19950 -57.01147 37.71540 1.000 29.33742 ? 4 LEU I HB3 1 ATOM 4056 H HG . LEU D 3 5 ? -34.89503 -56.61902 36.12997 1.000 30.56595 ? 4 LEU I HG 1 ATOM 4057 H HD11 . LEU D 3 5 ? -35.57152 -54.42519 35.93287 1.000 29.84335 ? 4 LEU I HD11 1 ATOM 4058 H HD12 . LEU D 3 5 ? -36.76294 -55.34560 35.42606 1.000 29.84335 ? 4 LEU I HD12 1 ATOM 4059 H HD13 . LEU D 3 5 ? -36.82206 -54.69574 36.87440 1.000 29.84335 ? 4 LEU I HD13 1 ATOM 4060 H HD21 . LEU D 3 5 ? -34.24538 -55.15511 37.85452 1.000 32.78139 ? 4 LEU I HD21 1 ATOM 4061 H HD22 . LEU D 3 5 ? -35.43814 -55.73442 38.72930 1.000 32.78139 ? 4 LEU I HD22 1 ATOM 4062 H HD23 . LEU D 3 5 ? -34.24193 -56.68285 38.28987 1.000 32.78139 ? 4 LEU I HD23 1 ATOM 4063 N N . VAL D 3 6 ? -37.40611 -60.00662 39.15694 1.000 24.80764 ? 5 VAL I N 1 ATOM 4064 C CA . VAL D 3 6 ? -38.42566 -60.97387 39.55881 1.000 25.26670 ? 5 VAL I CA 1 ATOM 4065 C C . VAL D 3 6 ? -39.40815 -60.28889 40.49465 1.000 25.52978 ? 5 VAL I C 1 ATOM 4066 O O . VAL D 3 6 ? -39.01989 -59.78743 41.55814 1.000 25.72635 ? 5 VAL I O 1 ATOM 4067 C CB . VAL D 3 6 ? -37.81841 -62.22629 40.20723 1.000 27.17896 ? 5 VAL I CB 1 ATOM 4068 C CG1 . VAL D 3 6 ? -38.92733 -63.17665 40.61578 1.000 28.31780 ? 5 VAL I CG1 1 ATOM 4069 C CG2 . VAL D 3 6 ? -36.86197 -62.90731 39.24681 1.000 28.61585 ? 5 VAL I CG2 1 ATOM 4070 H H . VAL D 3 6 ? -36.93824 -59.70154 39.81088 1.000 29.76594 ? 5 VAL I H 1 ATOM 4071 H HA . VAL D 3 6 ? -38.91577 -61.25135 38.76907 1.000 30.31681 ? 5 VAL I HA 1 ATOM 4072 H HB . VAL D 3 6 ? -37.31822 -61.97121 40.99821 1.000 32.61153 ? 5 VAL I HB 1 ATOM 4073 H HG11 . VAL D 3 6 ? -38.53827 -64.03364 40.85050 1.000 33.97813 ? 5 VAL I HG11 1 ATOM 4074 H HG12 . VAL D 3 6 ? -39.39568 -62.80559 41.37990 1.000 33.97813 ? 5 VAL I HG12 1 ATOM 4075 H HG13 . VAL D 3 6 ? -39.54080 -63.28441 39.87219 1.000 33.97813 ? 5 VAL I HG13 1 ATOM 4076 H HG21 . VAL D 3 6 ? -36.34541 -63.56958 39.73205 1.000 34.33579 ? 5 VAL I HG21 1 ATOM 4077 H HG22 . VAL D 3 6 ? -37.37338 -63.33706 38.54348 1.000 34.33579 ? 5 VAL I HG22 1 ATOM 4078 H HG23 . VAL D 3 6 ? -36.26977 -62.24063 38.86504 1.000 34.33579 ? 5 VAL I HG23 1 ATOM 4079 N N . GLN D 3 7 ? -40.68179 -60.29635 40.11223 1.000 22.63371 ? 6 GLN I N 1 ATOM 4080 C CA . GLN D 3 7 ? -41.71794 -59.58632 40.83970 1.000 21.29069 ? 6 GLN I CA 1 ATOM 4081 C C . GLN D 3 7 ? -42.51211 -60.52923 41.73586 1.000 21.79574 ? 6 GLN I C 1 ATOM 4082 O O . GLN D 3 7 ? -42.54637 -61.75102 41.54577 1.000 22.56596 ? 6 GLN I O 1 ATOM 4083 C CB . GLN D 3 7 ? -42.67683 -58.90522 39.86398 1.000 20.25478 ? 6 GLN I CB 1 ATOM 4084 C CG . GLN D 3 7 ? -41.95579 -57.93941 38.95608 1.000 20.47569 ? 6 GLN I CG 1 ATOM 4085 C CD . GLN D 3 7 ? -42.86854 -57.16032 38.05157 1.000 20.32510 ? 6 GLN I CD 1 ATOM 4086 O OE1 . GLN D 3 7 ? -42.53602 -56.92463 36.89474 1.000 20.15710 ? 6 GLN I OE1 1 ATOM 4087 N NE2 . GLN D 3 7 ? -44.02332 -56.74278 38.56275 1.000 22.00942 ? 6 GLN I NE2 1 ATOM 4088 H H . GLN D 3 7 ? -40.97205 -60.71549 39.41965 1.000 27.15723 ? 6 GLN I H 1 ATOM 4089 H HA . GLN D 3 7 ? -41.29784 -58.91641 41.40152 1.000 25.54560 ? 6 GLN I HA 1 ATOM 4090 H HB2 . GLN D 3 7 ? -43.10509 -59.57934 39.31348 1.000 24.30251 ? 6 GLN I HB2 1 ATOM 4091 H HB3 . GLN D 3 7 ? -43.34538 -58.41190 40.36455 1.000 24.30251 ? 6 GLN I HB3 1 ATOM 4092 H HG2 . GLN D 3 7 ? -41.46741 -57.30342 39.50189 1.000 24.56759 ? 6 GLN I HG2 1 ATOM 4093 H HG3 . GLN D 3 7 ? -41.34006 -58.43781 38.39628 1.000 24.56759 ? 6 GLN I HG3 1 ATOM 4094 H HE21 . GLN D 3 7 ? -44.22137 -56.92163 39.38030 1.000 26.40808 ? 6 GLN I HE21 1 ATOM 4095 H HE22 . GLN D 3 7 ? -44.57191 -56.29395 38.07572 1.000 26.40808 ? 6 GLN I HE22 1 ATOM 4096 N N . SER D 3 8 ? -43.17098 -59.92785 42.72068 1.000 21.90538 ? 7 SER I N 1 ATOM 4097 C CA . SER D 3 8 ? -44.09399 -60.64461 43.58940 1.000 23.01366 ? 7 SER I CA 1 ATOM 4098 C C . SER D 3 8 ? -45.34318 -61.08228 42.82460 1.000 22.79068 ? 7 SER I C 1 ATOM 4099 O O . SER D 3 8 ? -45.58548 -60.67978 41.68817 1.000 21.75459 ? 7 SER I O 1 ATOM 4100 C CB . SER D 3 8 ? -44.44019 -59.78080 44.81127 1.000 23.49509 ? 7 SER I CB 1 ATOM 4101 O OG . SER D 3 8 ? -44.76324 -58.43938 44.45877 1.000 23.78214 ? 7 SER I OG 1 ATOM 4102 H H . SER D 3 8 ? -43.09961 -59.09183 42.90928 1.000 26.28323 ? 7 SER I H 1 ATOM 4103 H HA . SER D 3 8 ? -43.67472 -61.45681 43.91409 1.000 27.61316 ? 7 SER I HA 1 ATOM 4104 H HB2 . SER D 3 8 ? -45.20411 -60.17436 45.26118 1.000 28.19088 ? 7 SER I HB2 1 ATOM 4105 H HB3 . SER D 3 8 ? -43.67480 -59.76773 45.40702 1.000 28.19088 ? 7 SER I HB3 1 ATOM 4106 H HG . SER D 3 8 ? -45.45219 -58.42654 43.97838 1.000 28.53534 ? 7 SER I HG 1 ATOM 4107 N N . GLY D 3 9 ? -46.15559 -61.93000 43.49397 1.000 25.27140 ? 8 GLY I N 1 ATOM 4108 C CA . GLY D 3 9 ? -47.28726 -62.58080 42.86440 1.000 25.40163 ? 8 GLY I CA 1 ATOM 4109 C C . GLY D 3 9 ? -48.54042 -61.72640 42.78800 1.000 26.25218 ? 8 GLY I C 1 ATOM 4110 O O . GLY D 3 9 ? -48.65817 -60.67404 43.40276 1.000 24.96348 ? 8 GLY I O 1 ATOM 4111 H H . GLY D 3 9 ? -46.05842 -62.13709 44.32298 1.000 30.32245 ? 8 GLY I H 1 ATOM 4112 H HA2 . GLY D 3 9 ? -47.04170 -62.82943 41.95954 1.000 30.47873 ? 8 GLY I HA2 1 ATOM 4113 H HA3 . GLY D 3 9 ? -47.50482 -63.38307 43.36434 1.000 30.47873 ? 8 GLY I HA3 1 ATOM 4114 N N . ALA D 3 10 ? -49.50849 -62.22873 42.01995 1.000 27.29936 ? 9 ALA I N 1 ATOM 4115 C CA . ALA D 3 10 ? -50.73894 -61.48635 41.78005 1.000 25.72521 ? 9 ALA I CA 1 ATOM 4116 C C . ALA D 3 10 ? -51.45200 -61.18593 43.08934 1.000 25.64925 ? 9 ALA I C 1 ATOM 4117 O O . ALA D 3 10 ? -51.38120 -61.95014 44.05617 1.000 27.31403 ? 9 ALA I O 1 ATOM 4118 C CB . ALA D 3 10 ? -51.68621 -62.28201 40.87435 1.000 26.29186 ? 9 ALA I CB 1 ATOM 4119 H H . ALA D 3 10 ? -49.47512 -62.99405 41.62909 1.000 32.75600 ? 9 ALA I H 1 ATOM 4120 H HA . ALA D 3 10 ? -50.51394 -60.65101 41.34132 1.000 30.86703 ? 9 ALA I HA 1 ATOM 4121 H HB1 . ALA D 3 10 ? -52.50370 -61.77505 40.74939 1.000 31.54700 ? 9 ALA I HB1 1 ATOM 4122 H HB2 . ALA D 3 10 ? -51.25463 -62.42998 40.01835 1.000 31.54700 ? 9 ALA I HB2 1 ATOM 4123 H HB3 . ALA D 3 10 ? -51.88566 -63.13267 41.29567 1.000 31.54700 ? 9 ALA I HB3 1 ATOM 4124 N N . GLU D 3 11 ? -52.16729 -60.06826 43.10480 1.000 26.50331 ? 10 GLU I N 1 ATOM 4125 C CA . GLU D 3 11 ? -52.92123 -59.64615 44.27260 1.000 28.13570 ? 10 GLU I CA 1 ATOM 4126 C C . GLU D 3 11 ? -54.34658 -59.30667 43.87315 1.000 25.76783 ? 10 GLU I C 1 ATOM 4127 O O . GLU D 3 11 ? -54.59491 -58.80740 42.77890 1.000 24.55444 ? 10 GLU I O 1 ATOM 4128 C CB . GLU D 3 11 ? -52.31751 -58.39341 44.91523 1.000 33.95121 ? 10 GLU I CB 1 ATOM 4129 C CG . GLU D 3 11 ? -50.81704 -58.43310 45.00197 1.000 40.85533 ? 10 GLU I CG 1 ATOM 4130 C CD . GLU D 3 11 ? -50.32115 -58.30665 46.41896 1.000 45.59610 ? 10 GLU I CD 1 ATOM 4131 O OE1 . GLU D 3 11 ? -49.14307 -57.92420 46.60166 1.000 51.78615 ? 10 GLU I OE1 1 ATOM 4132 O OE2 . GLU D 3 11 ? -51.10884 -58.58489 47.34821 1.000 46.91669 -1 10 GLU I OE2 1 ATOM 4133 H H . GLU D 3 11 ? -52.23134 -59.52931 42.43769 1.000 31.80074 ? 10 GLU I H 1 ATOM 4134 H HA . GLU D 3 11 ? -52.92418 -60.37494 44.91273 1.000 33.75961 ? 10 GLU I HA 1 ATOM 4135 H HB2 . GLU D 3 11 ? -52.56501 -57.61922 44.38582 1.000 40.73822 ? 10 GLU I HB2 1 ATOM 4136 H HB3 . GLU D 3 11 ? -52.66582 -58.30436 45.81614 1.000 40.73822 ? 10 GLU I HB3 1 ATOM 4137 H HG2 . GLU D 3 11 ? -50.50057 -59.27809 44.64597 1.000 49.02317 ? 10 GLU I HG2 1 ATOM 4138 H HG3 . GLU D 3 11 ? -50.44958 -57.69772 44.48710 1.000 49.02317 ? 10 GLU I HG3 1 ATOM 4139 N N . VAL D 3 12 ? -55.28329 -59.56522 44.77952 1.000 25.78183 ? 11 VAL I N 1 ATOM 4140 C CA . VAL D 3 12 ? -56.66455 -59.13281 44.63559 1.000 25.22727 ? 11 VAL I CA 1 ATOM 4141 C C . VAL D 3 12 ? -57.00464 -58.29225 45.85421 1.000 24.85121 ? 11 VAL I C 1 ATOM 4142 O O . VAL D 3 12 ? -56.83941 -58.74546 46.99541 1.000 26.15616 ? 11 VAL I O 1 ATOM 4143 C CB . VAL D 3 12 ? -57.62426 -60.32408 44.51420 1.000 26.25278 ? 11 VAL I CB 1 ATOM 4144 C CG1 . VAL D 3 12 ? -59.05205 -59.82852 44.45006 1.000 27.04157 ? 11 VAL I CG1 1 ATOM 4145 C CG2 . VAL D 3 12 ? -57.26372 -61.13840 43.27429 1.000 27.69175 ? 11 VAL I CG2 1 ATOM 4146 H H . VAL D 3 12 ? -55.13641 -60.00190 45.50570 1.000 30.93497 ? 11 VAL I H 1 ATOM 4147 H HA . VAL D 3 12 ? -56.76157 -58.58820 43.83879 1.000 30.26950 ? 11 VAL I HA 1 ATOM 4148 H HB . VAL D 3 12 ? -57.54612 -60.90068 45.29030 1.000 31.50011 ? 11 VAL I HB 1 ATOM 4149 H HG11 . VAL D 3 12 ? -59.63749 -60.57666 44.25399 1.000 32.44665 ? 11 VAL I HG11 1 ATOM 4150 H HG12 . VAL D 3 12 ? -59.28954 -59.43804 45.30565 1.000 32.44665 ? 11 VAL I HG12 1 ATOM 4151 H HG13 . VAL D 3 12 ? -59.12334 -59.16049 43.75038 1.000 32.44665 ? 11 VAL I HG13 1 ATOM 4152 H HG21 . VAL D 3 12 ? -57.96574 -61.78653 43.10700 1.000 33.22688 ? 11 VAL I HG21 1 ATOM 4153 H HG22 . VAL D 3 12 ? -57.17944 -60.53900 42.51632 1.000 33.22688 ? 11 VAL I HG22 1 ATOM 4154 H HG23 . VAL D 3 12 ? -56.42222 -61.59503 43.43006 1.000 33.22688 ? 11 VAL I HG23 1 ATOM 4155 N N . LYS D 3 13 ? -57.47324 -57.07349 45.61539 1.000 22.15228 ? 12 LYS I N 1 ATOM 4156 C CA . LYS D 3 13 ? -57.59562 -56.08075 46.67588 1.000 23.14714 ? 12 LYS I CA 1 ATOM 4157 C C . LYS D 3 13 ? -58.96910 -55.42470 46.67520 1.000 23.27971 ? 12 LYS I C 1 ATOM 4158 O O . LYS D 3 13 ? -59.60050 -55.24113 45.62735 1.000 23.12224 ? 12 LYS I O 1 ATOM 4159 C CB . LYS D 3 13 ? -56.55052 -54.96441 46.52679 1.000 25.56935 ? 12 LYS I CB 1 ATOM 4160 C CG . LYS D 3 13 ? -55.13105 -55.48185 46.36441 1.000 28.12263 ? 12 LYS I CG 1 ATOM 4161 C CD . LYS D 3 13 ? -54.68110 -56.21915 47.61023 1.000 32.78263 ? 12 LYS I CD 1 ATOM 4162 C CE . LYS D 3 13 ? -54.57268 -55.28032 48.79295 1.000 35.34388 ? 12 LYS I CE 1 ATOM 4163 N NZ . LYS D 3 13 ? -53.62371 -55.81352 49.80572 1.000 39.74758 ? 12 LYS I NZ 1 ATOM 4164 H H . LYS D 3 13 ? -57.72841 -56.79600 44.84242 1.000 26.57950 ? 12 LYS I H 1 ATOM 4165 H HA . LYS D 3 13 ? -57.47811 -56.54402 47.51996 1.000 27.77333 ? 12 LYS I HA 1 ATOM 4166 H HB2 . LYS D 3 13 ? -56.76622 -54.43667 45.74202 1.000 30.67999 ? 12 LYS I HB2 1 ATOM 4167 H HB3 . LYS D 3 13 ? -56.57445 -54.40555 47.31926 1.000 30.67999 ? 12 LYS I HB3 1 ATOM 4168 H HG2 . LYS D 3 13 ? -55.09357 -56.09480 45.61355 1.000 33.74393 ? 12 LYS I HG2 1 ATOM 4169 H HG3 . LYS D 3 13 ? -54.52951 -54.73589 46.21407 1.000 33.74393 ? 12 LYS I HG3 1 ATOM 4170 H HD2 . LYS D 3 13 ? -55.32617 -56.91057 47.82637 1.000 39.33593 ? 12 LYS I HD2 1 ATOM 4171 H HD3 . LYS D 3 13 ? -53.80985 -56.61563 47.45327 1.000 39.33593 ? 12 LYS I HD3 1 ATOM 4172 H HE2 . LYS D 3 13 ? -54.24891 -54.41683 48.49220 1.000 42.40942 ? 12 LYS I HE2 1 ATOM 4173 H HE3 . LYS D 3 13 ? -55.44344 -55.18167 49.20882 1.000 42.40942 ? 12 LYS I HE3 1 ATOM 4174 H HZ1 . LYS D 3 13 ? -53.59522 -55.27166 50.51118 1.000 47.69387 ? 12 LYS I HZ1 1 ATOM 4175 H HZ2 . LYS D 3 13 ? -53.88528 -56.62134 50.07239 1.000 47.69387 ? 12 LYS I HZ2 1 ATOM 4176 H HZ3 . LYS D 3 13 ? -52.80777 -55.87506 49.45565 1.000 47.69387 ? 12 LYS I HZ3 1 ATOM 4177 N N . LYS D 3 14 ? -59.39260 -55.01356 47.85532 1.000 24.08589 ? 13 LYS I N 1 ATOM 4178 C CA . LYS D 3 14 ? -60.64151 -54.30233 47.97893 1.000 27.80623 ? 13 LYS I CA 1 ATOM 4179 C C . LYS D 3 14 ? -60.44919 -52.83696 47.60334 1.000 25.84628 ? 13 LYS I C 1 ATOM 4180 O O . LYS D 3 14 ? -59.37373 -52.26634 47.81688 1.000 25.02272 ? 13 LYS I O 1 ATOM 4181 C CB . LYS D 3 14 ? -61.13140 -54.34511 49.42777 1.000 37.27049 ? 13 LYS I CB 1 ATOM 4182 C CG . LYS D 3 14 ? -61.53339 -55.70780 49.93817 1.000 46.87847 ? 13 LYS I CG 1 ATOM 4183 C CD . LYS D 3 14 ? -62.07058 -55.63077 51.37947 1.000 56.04036 ? 13 LYS I CD 1 ATOM 4184 C CE . LYS D 3 14 ? -60.98991 -55.29643 52.41059 1.000 59.05253 ? 13 LYS I CE 1 ATOM 4185 N NZ . LYS D 3 14 ? -61.35435 -55.78186 53.78160 1.000 63.13419 ? 13 LYS I NZ 1 ATOM 4186 H H . LYS D 3 14 ? -58.97436 -55.13482 48.59692 1.000 28.89984 ? 13 LYS I H 1 ATOM 4187 H HA . LYS D 3 14 ? -61.30159 -54.71066 47.39715 1.000 33.36425 ? 13 LYS I HA 1 ATOM 4188 H HB2 . LYS D 3 14 ? -60.41863 -54.02114 50.00040 1.000 44.72136 ? 13 LYS I HB2 1 ATOM 4189 H HB3 . LYS D 3 14 ? -61.90706 -53.76775 49.50461 1.000 44.72136 ? 13 LYS I HB3 1 ATOM 4190 H HG2 . LYS D 3 14 ? -62.23151 -56.07087 49.37097 1.000 56.25093 ? 13 LYS I HG2 1 ATOM 4191 H HG3 . LYS D 3 14 ? -60.76124 -56.29486 49.93093 1.000 56.25093 ? 13 LYS I HG3 1 ATOM 4192 H HD2 . LYS D 3 14 ? -62.74953 -54.93953 51.42555 1.000 67.24520 ? 13 LYS I HD2 1 ATOM 4193 H HD3 . LYS D 3 14 ? -62.45419 -56.48904 51.61844 1.000 67.24520 ? 13 LYS I HD3 1 ATOM 4194 H HE2 . LYS D 3 14 ? -60.15753 -55.72087 52.15001 1.000 70.85980 ? 13 LYS I HE2 1 ATOM 4195 H HE3 . LYS D 3 14 ? -60.87337 -54.33429 52.45067 1.000 70.85980 ? 13 LYS I HE3 1 ATOM 4196 H HZ1 . LYS D 3 14 ? -60.71567 -55.56336 54.36164 1.000 75.75780 ? 13 LYS I HZ1 1 ATOM 4197 H HZ2 . LYS D 3 14 ? -62.12033 -55.41108 54.04217 1.000 75.75780 ? 13 LYS I HZ2 1 ATOM 4198 H HZ3 . LYS D 3 14 ? -61.44902 -56.66679 53.77601 1.000 75.75780 ? 13 LYS I HZ3 1 ATOM 4199 N N . PRO D 3 15 ? -61.49703 -52.19373 47.09519 1.000 25.59332 ? 14 PRO I N 1 ATOM 4200 C CA . PRO D 3 15 ? -61.40513 -50.75483 46.80633 1.000 25.29594 ? 14 PRO I CA 1 ATOM 4201 C C . PRO D 3 15 ? -61.06849 -49.97786 48.06962 1.000 25.28457 ? 14 PRO I C 1 ATOM 4202 O O . PRO D 3 15 ? -61.57145 -50.27014 49.15722 1.000 25.87739 ? 14 PRO I O 1 ATOM 4203 C CB . PRO D 3 15 ? -62.80233 -50.39886 46.27552 1.000 26.34270 ? 14 PRO I CB 1 ATOM 4204 C CG . PRO D 3 15 ? -63.69544 -51.50830 46.75981 1.000 27.80415 ? 14 PRO I CG 1 ATOM 4205 C CD . PRO D 3 15 ? -62.85128 -52.73523 46.87241 1.000 25.84576 ? 14 PRO I CD 1 ATOM 4206 H HA . PRO D 3 15 ? -60.74636 -50.57715 46.11687 1.000 30.35190 ? 14 PRO I HA 1 ATOM 4207 H HB2 . PRO D 3 15 ? -63.08452 -49.54353 46.63562 1.000 31.60800 ? 14 PRO I HB2 1 ATOM 4208 H HB3 . PRO D 3 15 ? -62.78814 -50.36238 45.30631 1.000 31.60800 ? 14 PRO I HB3 1 ATOM 4209 H HG2 . PRO D 3 15 ? -64.06432 -51.27027 47.62478 1.000 33.36174 ? 14 PRO I HG2 1 ATOM 4210 H HG3 . PRO D 3 15 ? -64.41165 -51.64729 46.12057 1.000 33.36174 ? 14 PRO I HG3 1 ATOM 4211 H HD2 . PRO D 3 15 ? -63.13309 -53.28080 47.62331 1.000 31.01169 ? 14 PRO I HD2 1 ATOM 4212 H HD3 . PRO D 3 15 ? -62.88543 -53.25445 46.05379 1.000 31.01169 ? 14 PRO I HD3 1 ATOM 4213 N N . GLY D 3 16 ? -60.19731 -48.98696 47.91972 1.000 24.40203 ? 15 GLY I N 1 ATOM 4214 C CA . GLY D 3 16 ? -59.75556 -48.16185 49.02457 1.000 25.51035 ? 15 GLY I CA 1 ATOM 4215 C C . GLY D 3 16 ? -58.53519 -48.68729 49.74581 1.000 25.36474 ? 15 GLY I C 1 ATOM 4216 O O . GLY D 3 16 ? -57.90884 -47.94039 50.49484 1.000 26.11321 ? 15 GLY I O 1 ATOM 4217 H H . GLY D 3 16 ? -59.84173 -48.77148 47.16691 1.000 29.27921 ? 15 GLY I H 1 ATOM 4218 H HA2 . GLY D 3 16 ? -59.54514 -47.27643 48.68893 1.000 30.60919 ? 15 GLY I HA2 1 ATOM 4219 H HA3 . GLY D 3 16 ? -60.47614 -48.09185 49.67014 1.000 30.60919 ? 15 GLY I HA3 1 ATOM 4220 N N . SER D 3 17 ? -58.17527 -49.94930 49.53113 1.000 25.40618 ? 16 SER I N 1 ATOM 4221 C CA . SER D 3 17 ? -56.97663 -50.49256 50.14303 1.000 25.14721 ? 16 SER I CA 1 ATOM 4222 C C . SER D 3 17 ? -55.74929 -50.08168 49.33948 1.000 24.01420 ? 16 SER I C 1 ATOM 4223 O O . SER D 3 17 ? -55.83738 -49.34539 48.35018 1.000 23.62927 ? 16 SER I O 1 ATOM 4224 C CB . SER D 3 17 ? -57.05676 -52.01390 50.21301 1.000 26.97001 ? 16 SER I CB 1 ATOM 4225 O OG . SER D 3 17 ? -57.01902 -52.59008 48.90937 1.000 28.88136 ? 16 SER I OG 1 ATOM 4226 H H . SER D 3 17 ? -58.60833 -50.50466 49.03754 1.000 30.48418 ? 16 SER I H 1 ATOM 4227 H HA . SER D 3 17 ? -56.90835 -50.13702 51.04293 1.000 30.17343 ? 16 SER I HA 1 ATOM 4228 H HB2 . SER D 3 17 ? -56.30307 -52.34557 50.72569 1.000 32.36078 ? 16 SER I HB2 1 ATOM 4229 H HB3 . SER D 3 17 ? -57.88815 -52.26581 50.64456 1.000 32.36078 ? 16 SER I HB3 1 ATOM 4230 H HG . SER D 3 17 ? -57.09545 -53.42494 48.96193 1.000 34.65440 ? 16 SER I HG 1 ATOM 4231 N N . SER D 3 18 ? -54.59585 -50.58248 49.77621 1.000 23.30097 ? 17 SER I N 1 ATOM 4232 C CA . SER D 3 18 ? -53.31712 -50.36875 49.12430 1.000 22.43196 ? 17 SER I CA 1 ATOM 4233 C C . SER D 3 18 ? -52.69781 -51.70153 48.73959 1.000 21.95777 ? 17 SER I C 1 ATOM 4234 O O . SER D 3 18 ? -52.99173 -52.74135 49.32339 1.000 22.99309 ? 17 SER I O 1 ATOM 4235 C CB . SER D 3 18 ? -52.33956 -49.63711 50.07686 1.000 25.05310 ? 17 SER I CB 1 ATOM 4236 O OG . SER D 3 18 ? -52.84230 -48.38052 50.43636 1.000 28.78202 ? 17 SER I OG 1 ATOM 4237 H H . SER D 3 18 ? -54.53082 -51.07105 50.48096 1.000 27.95794 ? 17 SER I H 1 ATOM 4238 H HA . SER D 3 18 ? -53.45298 -49.84150 48.32152 1.000 26.91512 ? 17 SER I HA 1 ATOM 4239 H HB2 . SER D 3 18 ? -52.22046 -50.17073 50.87808 1.000 30.06049 ? 17 SER I HB2 1 ATOM 4240 H HB3 . SER D 3 18 ? -51.48833 -49.51983 49.62679 1.000 30.06049 ? 17 SER I HB3 1 ATOM 4241 H HG . SER D 3 18 ? -52.23933 -47.92352 50.80129 1.000 34.53519 ? 17 SER I HG 1 ATOM 4242 N N . VAL D 3 19 ? -51.81701 -51.64994 47.75019 1.000 20.14371 ? 18 VAL I N 1 ATOM 4243 C CA . VAL D 3 19 ? -51.01264 -52.79145 47.34272 1.000 20.49423 ? 18 VAL I CA 1 ATOM 4244 C C . VAL D 3 19 ? -49.56400 -52.33689 47.29541 1.000 20.52982 ? 18 VAL I C 1 ATOM 4245 O O . VAL D 3 19 ? -49.28067 -51.18408 46.95488 1.000 20.95138 ? 18 VAL I O 1 ATOM 4246 C CB . VAL D 3 19 ? -51.47477 -53.34894 45.98267 1.000 21.92706 ? 18 VAL I CB 1 ATOM 4247 C CG1 . VAL D 3 19 ? -51.18860 -52.36569 44.86209 1.000 22.27421 ? 18 VAL I CG1 1 ATOM 4248 C CG2 . VAL D 3 19 ? -50.80840 -54.69452 45.70780 1.000 23.59579 ? 18 VAL I CG2 1 ATOM 4249 H H . VAL D 3 19 ? -51.66322 -50.94252 47.28596 1.000 24.16923 ? 18 VAL I H 1 ATOM 4250 H HA . VAL D 3 19 ? -51.08783 -53.50789 47.99231 1.000 24.58984 ? 18 VAL I HA 1 ATOM 4251 H HB . VAL D 3 19 ? -52.43482 -53.48411 46.01327 1.000 26.30924 ? 18 VAL I HB 1 ATOM 4252 H HG11 . VAL D 3 19 ? -51.62205 -52.67570 44.05158 1.000 26.72583 ? 18 VAL I HG11 1 ATOM 4253 H HG12 . VAL D 3 19 ? -51.53540 -51.49445 45.11018 1.000 26.72583 ? 18 VAL I HG12 1 ATOM 4254 H HG13 . VAL D 3 19 ? -50.22975 -52.31329 44.72513 1.000 26.72583 ? 18 VAL I HG13 1 ATOM 4255 H HG21 . VAL D 3 19 ? -51.13083 -55.03937 44.86044 1.000 28.31171 ? 18 VAL I HG21 1 ATOM 4256 H HG22 . VAL D 3 19 ? -49.84731 -54.56904 45.66968 1.000 28.31171 ? 18 VAL I HG22 1 ATOM 4257 H HG23 . VAL D 3 19 ? -51.03349 -55.31029 46.42269 1.000 28.31171 ? 18 VAL I HG23 1 ATOM 4258 N N . LYS D 3 20 ? -48.64656 -53.22093 47.67966 1.000 20.74274 ? 19 LYS I N 1 ATOM 4259 C CA . LYS D 3 20 ? -47.21295 -52.97467 47.54041 1.000 20.52814 ? 19 LYS I CA 1 ATOM 4260 C C . LYS D 3 20 ? -46.60456 -54.14685 46.77760 1.000 20.53459 ? 19 LYS I C 1 ATOM 4261 O O . LYS D 3 20 ? -46.55843 -55.26887 47.28561 1.000 24.00964 ? 19 LYS I O 1 ATOM 4262 C CB . LYS D 3 20 ? -46.54174 -52.78415 48.89565 1.000 21.96100 ? 19 LYS I CB 1 ATOM 4263 C CG . LYS D 3 20 ? -45.11907 -52.26391 48.78839 1.000 22.65439 ? 19 LYS I CG 1 ATOM 4264 C CD . LYS D 3 20 ? -44.58750 -51.82436 50.16669 1.000 24.65124 ? 19 LYS I CD 1 ATOM 4265 C CE . LYS D 3 20 ? -43.27065 -51.08879 50.03561 1.000 24.99020 ? 19 LYS I CE 1 ATOM 4266 N NZ . LYS D 3 20 ? -42.66088 -50.79915 51.37706 1.000 25.37451 ? 19 LYS I NZ 1 ATOM 4267 H H . LYS D 3 20 ? -48.83351 -53.98381 48.02990 1.000 24.88806 ? 19 LYS I H 1 ATOM 4268 H HA . LYS D 3 20 ? -47.07422 -52.16410 47.02599 1.000 24.63053 ? 19 LYS I HA 1 ATOM 4269 H HB2 . LYS D 3 20 ? -47.05546 -52.14493 49.41371 1.000 26.34998 ? 19 LYS I HB2 1 ATOM 4270 H HB3 . LYS D 3 20 ? -46.51393 -53.63783 49.35538 1.000 26.34998 ? 19 LYS I HB3 1 ATOM 4271 H HG2 . LYS D 3 20 ? -44.54309 -52.96555 48.44655 1.000 27.18204 ? 19 LYS I HG2 1 ATOM 4272 H HG3 . LYS D 3 20 ? -45.09870 -51.49844 48.19296 1.000 27.18204 ? 19 LYS I HG3 1 ATOM 4273 H HD2 . LYS D 3 20 ? -45.22975 -51.23030 50.58564 1.000 29.57826 ? 19 LYS I HD2 1 ATOM 4274 H HD3 . LYS D 3 20 ? -44.44728 -52.60666 50.72280 1.000 29.57826 ? 19 LYS I HD3 1 ATOM 4275 H HE2 . LYS D 3 20 ? -42.64804 -51.63406 49.52972 1.000 29.98501 ? 19 LYS I HE2 1 ATOM 4276 H HE3 . LYS D 3 20 ? -43.41878 -50.24524 49.58021 1.000 29.98501 ? 19 LYS I HE3 1 ATOM 4277 H HZ1 . LYS D 3 20 ? -43.20846 -50.28648 51.85604 1.000 30.44619 ? 19 LYS I HZ1 1 ATOM 4278 H HZ2 . LYS D 3 20 ? -42.51828 -51.55945 51.81717 1.000 30.44619 ? 19 LYS I HZ2 1 ATOM 4279 H HZ3 . LYS D 3 20 ? -41.88510 -50.37538 51.27368 1.000 30.44619 ? 19 LYS I HZ3 1 ATOM 4280 N N . VAL D 3 21 ? -46.12666 -53.88681 45.56145 1.000 19.45596 ? 20 VAL I N 1 ATOM 4281 C CA . VAL D 3 21 ? -45.55254 -54.89842 44.68482 1.000 19.94118 ? 20 VAL I CA 1 ATOM 4282 C C . VAL D 3 21 ? -44.04435 -54.75791 44.74738 1.000 21.05058 ? 20 VAL I C 1 ATOM 4283 O O . VAL D 3 21 ? -43.52008 -53.63962 44.78837 1.000 21.49438 ? 20 VAL I O 1 ATOM 4284 C CB . VAL D 3 21 ? -46.04450 -54.66104 43.24132 1.000 20.09671 ? 20 VAL I CB 1 ATOM 4285 C CG1 . VAL D 3 21 ? -45.41856 -55.65753 42.25578 1.000 21.56310 ? 20 VAL I CG1 1 ATOM 4286 C CG2 . VAL D 3 21 ? -47.55870 -54.69736 43.17872 1.000 22.03218 ? 20 VAL I CG2 1 ATOM 4287 H H . VAL D 3 21 ? -46.12535 -53.10116 45.21167 1.000 23.34392 ? 20 VAL I H 1 ATOM 4288 H HA . VAL D 3 21 ? -45.80458 -55.78895 44.97523 1.000 23.92619 ? 20 VAL I HA 1 ATOM 4289 H HB . VAL D 3 21 ? -45.75605 -53.77694 42.96552 1.000 24.11282 ? 20 VAL I HB 1 ATOM 4290 H HG11 . VAL D 3 21 ? -45.78704 -55.50153 41.37216 1.000 25.87249 ? 20 VAL I HG11 1 ATOM 4291 H HG12 . VAL D 3 21 ? -44.45761 -55.52611 42.24137 1.000 25.87249 ? 20 VAL I HG12 1 ATOM 4292 H HG13 . VAL D 3 21 ? -45.62468 -56.56001 42.54552 1.000 25.87249 ? 20 VAL I HG13 1 ATOM 4293 H HG21 . VAL D 3 21 ? -47.83825 -54.62720 42.25253 1.000 26.43538 ? 20 VAL I HG21 1 ATOM 4294 H HG22 . VAL D 3 21 ? -47.87036 -55.53498 43.55576 1.000 26.43538 ? 20 VAL I HG22 1 ATOM 4295 H HG23 . VAL D 3 21 ? -47.91381 -53.95260 43.68874 1.000 26.43538 ? 20 VAL I HG23 1 ATOM 4296 N N . SER D 3 22 ? -43.34182 -55.88177 44.70443 1.000 22.76842 ? 21 SER I N 1 ATOM 4297 C CA . SER D 3 22 ? -41.89122 -55.87149 44.77356 1.000 24.00904 ? 21 SER I CA 1 ATOM 4298 C C . SER D 3 22 ? -41.26685 -56.35683 43.47143 1.000 23.01470 ? 21 SER I C 1 ATOM 4299 O O . SER D 3 22 ? -41.88830 -57.05235 42.66456 1.000 23.20730 ? 21 SER I O 1 ATOM 4300 C CB . SER D 3 22 ? -41.37336 -56.70311 45.95204 1.000 24.85430 ? 21 SER I CB 1 ATOM 4301 O OG . SER D 3 22 ? -41.66544 -58.07610 45.80341 1.000 25.64795 ? 21 SER I OG 1 ATOM 4302 H H . SER D 3 22 ? -43.68704 -56.66638 44.63502 1.000 27.31888 ? 21 SER I H 1 ATOM 4303 H HA . SER D 3 22 ? -41.60403 -54.95473 44.90762 1.000 28.80762 ? 21 SER I HA 1 ATOM 4304 H HB2 . SER D 3 22 ? -40.41115 -56.59476 46.00950 1.000 29.82193 ? 21 SER I HB2 1 ATOM 4305 H HB3 . SER D 3 22 ? -41.79249 -56.38281 46.76607 1.000 29.82193 ? 21 SER I HB3 1 ATOM 4306 H HG . SER D 3 22 ? -41.29834 -58.37442 45.10926 1.000 30.77432 ? 21 SER I HG 1 ATOM 4307 N N . CYS D 3 23 ? -39.99586 -55.99725 43.29951 1.000 22.29036 ? 22 CYS I N 1 ATOM 4308 C CA . CYS D 3 23 ? -39.25565 -56.26250 42.07032 1.000 22.93665 ? 22 CYS I CA 1 ATOM 4309 C C . CYS D 3 23 ? -37.80387 -56.49179 42.48513 1.000 23.95078 ? 22 CYS I C 1 ATOM 4310 O O . CYS D 3 23 ? -37.08478 -55.53518 42.77527 1.000 23.78829 ? 22 CYS I O 1 ATOM 4311 C CB . CYS D 3 23 ? -39.38023 -55.06110 41.15354 1.000 22.46842 ? 22 CYS I CB 1 ATOM 4312 S SG . CYS D 3 23 ? -38.31285 -55.08878 39.72562 1.000 25.07439 ? 22 CYS I SG 1 ATOM 4313 H H . CYS D 3 23 ? -39.52942 -55.58834 43.89519 1.000 26.74520 ? 22 CYS I H 1 ATOM 4314 H HA . CYS D 3 23 ? -39.58423 -57.05646 41.62025 1.000 27.52075 ? 22 CYS I HA 1 ATOM 4315 H HB2 . CYS D 3 23 ? -40.29434 -55.01355 40.83254 1.000 26.95887 ? 22 CYS I HB2 1 ATOM 4316 H HB3 . CYS D 3 23 ? -39.16525 -54.26351 41.66200 1.000 26.95887 ? 22 CYS I HB3 1 ATOM 4317 N N . LYS D 3 24 ? -37.38281 -57.75039 42.50121 1.000 24.73696 ? 23 LYS I N 1 ATOM 4318 C CA . LYS D 3 24 ? -36.06715 -58.14032 42.99522 1.000 29.87233 ? 23 LYS I CA 1 ATOM 4319 C C . LYS D 3 24 ? -35.09941 -58.33547 41.83299 1.000 29.15220 ? 23 LYS I C 1 ATOM 4320 O O . LYS D 3 24 ? -35.36392 -59.11452 40.91232 1.000 27.57827 ? 23 LYS I O 1 ATOM 4321 C CB . LYS D 3 24 ? -36.18410 -59.43215 43.80748 1.000 36.79704 ? 23 LYS I CB 1 ATOM 4322 C CG . LYS D 3 24 ? -34.85435 -60.08249 44.16662 1.000 44.42758 ? 23 LYS I CG 1 ATOM 4323 C CD . LYS D 3 24 ? -34.10336 -59.29839 45.23667 1.000 51.20298 ? 23 LYS I CD 1 ATOM 4324 C CE . LYS D 3 24 ? -32.69452 -59.85194 45.44670 1.000 60.36643 ? 23 LYS I CE 1 ATOM 4325 N NZ . LYS D 3 24 ? -31.62129 -58.92556 44.99573 1.000 60.77877 ? 23 LYS I NZ 1 ATOM 4326 H H . LYS D 3 24 ? -37.85343 -58.41460 42.22383 1.000 29.68113 ? 23 LYS I H 1 ATOM 4327 H HA . LYS D 3 24 ? -35.70763 -57.43676 43.55793 1.000 35.84357 ? 23 LYS I HA 1 ATOM 4328 H HB2 . LYS D 3 24 ? -36.64533 -59.23339 44.63733 1.000 44.15322 ? 23 LYS I HB2 1 ATOM 4329 H HB3 . LYS D 3 24 ? -36.69359 -60.07575 43.29067 1.000 44.15322 ? 23 LYS I HB3 1 ATOM 4330 H HG2 . LYS D 3 24 ? -35.01767 -60.97654 44.50560 1.000 53.30986 ? 23 LYS I HG2 1 ATOM 4331 H HG3 . LYS D 3 24 ? -34.29570 -60.12483 43.37478 1.000 53.30986 ? 23 LYS I HG3 1 ATOM 4332 H HD2 . LYS D 3 24 ? -34.02938 -58.37063 44.96337 1.000 61.44034 ? 23 LYS I HD2 1 ATOM 4333 H HD3 . LYS D 3 24 ? -34.58389 -59.35936 46.07707 1.000 61.44034 ? 23 LYS I HD3 1 ATOM 4334 H HE2 . LYS D 3 24 ? -32.56197 -60.02172 46.39248 1.000 72.43649 ? 23 LYS I HE2 1 ATOM 4335 H HE3 . LYS D 3 24 ? -32.60393 -60.67750 44.94555 1.000 72.43649 ? 23 LYS I HE3 1 ATOM 4336 H HZ1 . LYS D 3 24 ? -30.82332 -59.29705 45.12744 1.000 72.93129 ? 23 LYS I HZ1 1 ATOM 4337 H HZ2 . LYS D 3 24 ? -31.71739 -58.74727 44.12908 1.000 72.93129 ? 23 LYS I HZ2 1 ATOM 4338 H HZ3 . LYS D 3 24 ? -31.66439 -58.16374 45.45385 1.000 72.93129 ? 23 LYS I HZ3 1 ATOM 4339 N N . ALA D 3 25 ? -33.97039 -57.64758 41.88768 1.000 31.72337 ? 24 ALA I N 1 ATOM 4340 C CA . ALA D 3 25 ? -32.94846 -57.76652 40.85691 1.000 35.16168 ? 24 ALA I CA 1 ATOM 4341 C C . ALA D 3 25 ? -32.00695 -58.91417 41.20319 1.000 40.86018 ? 24 ALA I C 1 ATOM 4342 O O . ALA D 3 25 ? -31.50444 -58.99419 42.33102 1.000 36.83938 ? 24 ALA I O 1 ATOM 4343 C CB . ALA D 3 25 ? -32.15735 -56.46185 40.74378 1.000 38.68963 ? 24 ALA I CB 1 ATOM 4344 H H . ALA D 3 25 ? -33.76878 -57.09860 42.51821 1.000 38.06482 ? 24 ALA I H 1 ATOM 4345 H HA . ALA D 3 25 ? -33.36618 -57.95315 40.00159 1.000 42.19079 ? 24 ALA I HA 1 ATOM 4346 H HB1 . ALA D 3 25 ? -31.42800 -56.58813 40.11688 1.000 46.42432 ? 24 ALA I HB1 1 ATOM 4347 H HB2 . ALA D 3 25 ? -32.74813 -55.76075 40.42704 1.000 46.42432 ? 24 ALA I HB2 1 ATOM 4348 H HB3 . ALA D 3 25 ? -31.80603 -56.22879 41.61737 1.000 46.42432 ? 24 ALA I HB3 1 ATOM 4349 N N . SER D 3 26 ? -31.77889 -59.80650 40.23911 1.000 48.19317 ? 25 SER I N 1 ATOM 4350 C CA . SER D 3 26 ? -30.84455 -60.90998 40.41698 1.000 57.93908 ? 25 SER I CA 1 ATOM 4351 C C . SER D 3 26 ? -29.92307 -60.99952 39.21063 1.000 65.16133 ? 25 SER I C 1 ATOM 4352 O O . SER D 3 26 ? -30.28855 -60.61626 38.09612 1.000 61.24057 ? 25 SER I O 1 ATOM 4353 C CB . SER D 3 26 ? -31.55549 -62.25122 40.59498 1.000 60.48352 ? 25 SER I CB 1 ATOM 4354 O OG . SER D 3 26 ? -32.20372 -62.64208 39.39955 1.000 64.20371 ? 25 SER I OG 1 ATOM 4355 H H . SER D 3 26 ? -32.15836 -59.79076 39.46752 1.000 57.82858 ? 25 SER I H 1 ATOM 4356 H HA . SER D 3 26 ? -30.31384 -60.73953 41.21083 1.000 69.52366 ? 25 SER I HA 1 ATOM 4357 H HB2 . SER D 3 26 ? -30.90087 -62.92594 40.83398 1.000 72.57700 ? 25 SER I HB2 1 ATOM 4358 H HB3 . SER D 3 26 ? -32.21699 -62.16656 41.29936 1.000 72.57700 ? 25 SER I HB3 1 ATOM 4359 H HG . SER D 3 26 ? -32.27981 -63.47824 39.37416 1.000 77.04122 ? 25 SER I HG 1 ATOM 4360 N N . GLY D 3 27 ? -28.72628 -61.53248 39.44447 1.000 75.76992 ? 26 GLY I N 1 ATOM 4361 C CA . GLY D 3 27 ? -27.68199 -61.47566 38.44373 1.000 76.43008 ? 26 GLY I CA 1 ATOM 4362 C C . GLY D 3 27 ? -27.04929 -60.11316 38.31683 1.000 76.45378 ? 26 GLY I C 1 ATOM 4363 O O . GLY D 3 27 ? -26.41500 -59.82193 37.29856 1.000 73.83222 ? 26 GLY I O 1 ATOM 4364 H H . GLY D 3 27 ? -28.50022 -61.92960 40.17303 1.000 90.92067 ? 26 GLY I H 1 ATOM 4365 H HA2 . GLY D 3 27 ? -26.98681 -62.11132 38.67516 1.000 91.71286 ? 26 GLY I HA2 1 ATOM 4366 H HA3 . GLY D 3 27 ? -28.05604 -61.71664 37.58181 1.000 91.71286 ? 26 GLY I HA3 1 ATOM 4367 N N . GLY D 3 28 ? -27.20440 -59.26917 39.33426 1.000 76.72855 ? 27 GLY I N 1 ATOM 4368 C CA . GLY D 3 28 ? -26.73597 -57.89859 39.29426 1.000 79.94088 ? 27 GLY I CA 1 ATOM 4369 C C . GLY D 3 28 ? -27.57326 -57.01581 40.19704 1.000 80.44799 ? 27 GLY I C 1 ATOM 4370 O O . GLY D 3 28 ? -28.80675 -57.07646 40.16248 1.000 86.18616 ? 27 GLY I O 1 ATOM 4371 H H . GLY D 3 28 ? -27.58817 -59.47644 40.07545 1.000 92.07103 ? 27 GLY I H 1 ATOM 4372 H HA2 . GLY D 3 28 ? -25.81257 -57.86010 39.58881 1.000 95.92582 ? 27 GLY I HA2 1 ATOM 4373 H HA3 . GLY D 3 28 ? -26.79238 -57.56030 38.38691 1.000 95.92582 ? 27 GLY I HA3 1 ATOM 4374 N N . THR D 3 29 ? -26.91719 -56.19533 41.01217 1.000 77.45095 ? 28 THR I N 1 ATOM 4375 C CA . THR D 3 29 ? -27.60865 -55.35073 41.97590 1.000 71.43064 ? 28 THR I CA 1 ATOM 4376 C C . THR D 3 29 ? -28.25628 -54.17435 41.24903 1.000 62.69630 ? 28 THR I C 1 ATOM 4377 O O . THR D 3 29 ? -28.30800 -54.12841 40.01619 1.000 62.46623 ? 28 THR I O 1 ATOM 4378 C CB . THR D 3 29 ? -26.62669 -54.82201 43.01445 1.000 69.16422 ? 28 THR I CB 1 ATOM 4379 O OG1 . THR D 3 29 ? -25.57205 -54.12197 42.34253 1.000 69.84992 ? 28 THR I OG1 1 ATOM 4380 C CG2 . THR D 3 29 ? -26.04838 -55.94673 43.83879 1.000 68.08508 ? 28 THR I CG2 1 ATOM 4381 H H . THR D 3 29 ? -26.06156 -56.10971 41.02545 1.000 92.93791 ? 28 THR I H 1 ATOM 4382 H HA . THR D 3 29 ? -28.28644 -55.89674 42.40413 1.000 85.71354 ? 28 THR I HA 1 ATOM 4383 H HB . THR D 3 29 ? -27.08589 -54.22153 43.62228 1.000 82.99383 ? 28 THR I HB 1 ATOM 4384 H HG1 . THR D 3 29 ? -24.92726 -54.64133 42.20072 1.000 83.81667 ? 28 THR I HG1 1 ATOM 4385 H HG21 . THR D 3 29 ? -25.24886 -55.64469 44.29753 1.000 81.69886 ? 28 THR I HG21 1 ATOM 4386 H HG22 . THR D 3 29 ? -26.69631 -56.24260 44.49722 1.000 81.69886 ? 28 THR I HG22 1 ATOM 4387 H HG23 . THR D 3 29 ? -25.81868 -56.69440 43.26510 1.000 81.69886 ? 28 THR I HG23 1 ATOM 4388 N N . PHE D 3 30 ? -28.73282 -53.17967 42.00282 1.000 56.36222 ? 29 PHE I N 1 ATOM 4389 C CA . PHE D 3 30 ? -29.28086 -51.99984 41.34251 1.000 47.09824 ? 29 PHE I CA 1 ATOM 4390 C C . PHE D 3 30 ? -28.17956 -51.06012 40.86498 1.000 38.62354 ? 29 PHE I C 1 ATOM 4391 O O . PHE D 3 30 ? -28.32027 -50.42528 39.81523 1.000 35.45538 ? 29 PHE I O 1 ATOM 4392 C CB . PHE D 3 30 ? -30.23124 -51.24943 42.27551 1.000 47.12057 ? 29 PHE I CB 1 ATOM 4393 C CG . PHE D 3 30 ? -31.60492 -51.85840 42.38885 1.000 46.35263 ? 29 PHE I CG 1 ATOM 4394 C CD1 . PHE D 3 30 ? -32.14764 -52.62224 41.37028 1.000 48.15493 ? 29 PHE I CD1 1 ATOM 4395 C CD2 . PHE D 3 30 ? -32.35999 -51.63077 43.52154 1.000 47.56428 ? 29 PHE I CD2 1 ATOM 4396 C CE1 . PHE D 3 30 ? -33.41468 -53.15778 41.48672 1.000 47.43095 ? 29 PHE I CE1 1 ATOM 4397 C CE2 . PHE D 3 30 ? -33.61919 -52.16678 43.64569 1.000 46.41850 ? 29 PHE I CE2 1 ATOM 4398 C CZ . PHE D 3 30 ? -34.15130 -52.93025 42.62465 1.000 47.30294 ? 29 PHE I CZ 1 ATOM 4399 H H . PHE D 3 30 ? -28.74857 -53.16645 42.86257 1.000 67.63143 ? 29 PHE I H 1 ATOM 4400 H HA . PHE D 3 30 ? -29.78969 -52.29737 40.57215 1.000 56.51465 ? 29 PHE I HA 1 ATOM 4401 H HB2 . PHE D 3 30 ? -29.84341 -51.23384 43.16447 1.000 56.54145 ? 29 PHE I HB2 1 ATOM 4402 H HB3 . PHE D 3 30 ? -30.33853 -50.34402 41.94444 1.000 56.54145 ? 29 PHE I HB3 1 ATOM 4403 H HD1 . PHE D 3 30 ? -31.65280 -52.77660 40.59813 1.000 57.78269 ? 29 PHE I HD1 1 ATOM 4404 H HD2 . PHE D 3 30 ? -32.01268 -51.10880 44.20843 1.000 57.07390 ? 29 PHE I HD2 1 ATOM 4405 H HE1 . PHE D 3 30 ? -33.76897 -53.67122 40.79696 1.000 56.91391 ? 29 PHE I HE1 1 ATOM 4406 H HE2 . PHE D 3 30 ? -34.11404 -52.01532 44.41841 1.000 55.69897 ? 29 PHE I HE2 1 ATOM 4407 H HZ . PHE D 3 30 ? -35.00529 -53.28915 42.70699 1.000 56.76029 ? 29 PHE I HZ 1 ATOM 4408 N N . SER D 3 31 ? -27.08409 -50.95371 41.61731 1.000 35.71749 ? 30 SER I N 1 ATOM 4409 C CA . SER D 3 31 ? -25.94744 -50.09138 41.26714 1.000 39.44224 ? 30 SER I CA 1 ATOM 4410 C C . SER D 3 31 ? -26.48848 -48.70942 40.89007 1.000 33.17710 ? 30 SER I C 1 ATOM 4411 O O . SER D 3 31 ? -27.27524 -48.13689 41.65670 1.000 32.05987 ? 30 SER I O 1 ATOM 4412 C CB . SER D 3 31 ? -25.06423 -50.77146 40.22556 1.000 47.77311 ? 30 SER I CB 1 ATOM 4413 O OG . SER D 3 31 ? -25.76747 -50.96693 39.01333 1.000 56.77687 ? 30 SER I OG 1 ATOM 4414 H H . SER D 3 31 ? -26.97038 -51.38116 42.35485 1.000 42.85776 ? 30 SER I H 1 ATOM 4415 H HA . SER D 3 31 ? -25.41181 -49.97171 42.06694 1.000 47.32745 ? 30 SER I HA 1 ATOM 4416 H HB2 . SER D 3 31 ? -24.29084 -50.21158 40.05435 1.000 57.32450 ? 30 SER I HB2 1 ATOM 4417 H HB3 . SER D 3 31 ? -24.78045 -51.63362 40.56769 1.000 57.32450 ? 30 SER I HB3 1 ATOM 4418 H HG . SER D 3 31 ? -25.26980 -51.34133 38.44964 1.000 68.12901 ? 30 SER I HG 1 ATOM 4419 N N . SER D 3 32 ? -26.11062 -48.14991 39.73721 1.000 29.72430 ? 31 SER I N 1 ATOM 4420 C CA . SER D 3 32 ? -26.53538 -46.81064 39.36221 1.000 24.33288 ? 31 SER I CA 1 ATOM 4421 C C . SER D 3 32 ? -27.68192 -46.82491 38.36749 1.000 21.20794 ? 31 SER I C 1 ATOM 4422 O O . SER D 3 32 ? -27.90848 -45.82879 37.68115 1.000 23.15515 ? 31 SER I O 1 ATOM 4423 C CB . SER D 3 32 ? -25.35390 -46.01619 38.80650 1.000 25.81274 ? 31 SER I CB 1 ATOM 4424 O OG . SER D 3 32 ? -25.01521 -46.47353 37.51529 1.000 28.48940 ? 31 SER I OG 1 ATOM 4425 H H . SER D 3 32 ? -25.60538 -48.53358 39.15657 1.000 35.66593 ? 31 SER I H 1 ATOM 4426 H HA . SER D 3 32 ? -26.84673 -46.35433 40.15955 1.000 29.19622 ? 31 SER I HA 1 ATOM 4427 H HB2 . SER D 3 32 ? -25.59723 -45.07850 38.75722 1.000 30.97206 ? 31 SER I HB2 1 ATOM 4428 H HB3 . SER D 3 32 ? -24.59046 -46.13040 39.39388 1.000 30.97206 ? 31 SER I HB3 1 ATOM 4429 H HG . SER D 3 32 ? -24.19635 -46.35175 37.37299 1.000 34.18405 ? 31 SER I HG 1 ATOM 4430 N N . TYR D 3 33 ? -28.43659 -47.91076 38.30663 1.000 19.70403 ? 32 TYR I N 1 ATOM 4431 C CA . TYR D 3 33 ? -29.51126 -48.00607 37.32771 1.000 19.60880 ? 32 TYR I CA 1 ATOM 4432 C C . TYR D 3 33 ? -30.82404 -47.52766 37.91124 1.000 19.83400 ? 32 TYR I C 1 ATOM 4433 O O . TYR D 3 33 ? -31.08393 -47.67389 39.09928 1.000 24.48187 ? 32 TYR I O 1 ATOM 4434 C CB . TYR D 3 33 ? -29.66784 -49.43942 36.82909 1.000 22.65890 ? 32 TYR I CB 1 ATOM 4435 C CG . TYR D 3 33 ? -28.52941 -49.84676 35.91631 1.000 25.66309 ? 32 TYR I CG 1 ATOM 4436 C CD1 . TYR D 3 33 ? -27.31049 -50.25353 36.43425 1.000 31.59022 ? 32 TYR I CD1 1 ATOM 4437 C CD2 . TYR D 3 33 ? -28.67450 -49.80475 34.53460 1.000 28.24820 ? 32 TYR I CD2 1 ATOM 4438 C CE1 . TYR D 3 33 ? -26.26787 -50.61476 35.61094 1.000 33.66463 ? 32 TYR I CE1 1 ATOM 4439 C CE2 . TYR D 3 33 ? -27.64237 -50.16329 33.70408 1.000 31.78312 ? 32 TYR I CE2 1 ATOM 4440 C CZ . TYR D 3 33 ? -26.43926 -50.56466 34.23971 1.000 36.04418 ? 32 TYR I CZ 1 ATOM 4441 O OH . TYR D 3 33 ? -25.39890 -50.92385 33.40819 1.000 40.13397 ? 32 TYR I OH 1 ATOM 4442 H H . TYR D 3 33 ? -28.34846 -48.59889 38.81488 1.000 23.64160 ? 32 TYR I H 1 ATOM 4443 H HA . TYR D 3 33 ? -29.29263 -47.43990 36.57104 1.000 23.52734 ? 32 TYR I HA 1 ATOM 4444 H HB2 . TYR D 3 33 ? -29.67896 -50.04224 37.58895 1.000 27.18745 ? 32 TYR I HB2 1 ATOM 4445 H HB3 . TYR D 3 33 ? -30.49776 -49.51583 36.33281 1.000 27.18745 ? 32 TYR I HB3 1 ATOM 4446 H HD1 . TYR D 3 33 ? -27.19427 -50.28316 37.35649 1.000 37.90504 ? 32 TYR I HD1 1 ATOM 4447 H HD2 . TYR D 3 33 ? -29.48332 -49.52949 34.16727 1.000 33.89461 ? 32 TYR I HD2 1 ATOM 4448 H HE1 . TYR D 3 33 ? -25.45666 -50.88963 35.97327 1.000 40.39433 ? 32 TYR I HE1 1 ATOM 4449 H HE2 . TYR D 3 33 ? -27.75543 -50.13517 32.78140 1.000 38.13651 ? 32 TYR I HE2 1 ATOM 4450 H HH . TYR D 3 33 ? -25.64826 -50.89381 32.60662 1.000 48.15753 ? 32 TYR I HH 1 ATOM 4451 N N . ALA D 3 34 ? -31.64723 -46.95690 37.05494 1.000 16.93007 ? 33 ALA I N 1 ATOM 4452 C CA . ALA D 3 34 ? -33.01325 -46.60780 37.39920 1.000 17.92951 ? 33 ALA I CA 1 ATOM 4453 C C . ALA D 3 34 ? -33.93996 -47.79035 37.12440 1.000 17.90764 ? 33 ALA I C 1 ATOM 4454 O O . ALA D 3 34 ? -33.76054 -48.55933 36.16078 1.000 17.73507 ? 33 ALA I O 1 ATOM 4455 C CB . ALA D 3 34 ? -33.49938 -45.41051 36.56593 1.000 19.99997 ? 33 ALA I CB 1 ATOM 4456 H H . ALA D 3 34 ? -31.43478 -46.75539 36.24632 1.000 20.31285 ? 33 ALA I H 1 ATOM 4457 H HA . ALA D 3 34 ? -33.05148 -46.37326 38.33964 1.000 21.51219 ? 33 ALA I HA 1 ATOM 4458 H HB1 . ALA D 3 34 ? -34.38112 -45.14862 36.87390 1.000 23.99674 ? 33 ALA I HB1 1 ATOM 4459 H HB2 . ALA D 3 34 ? -32.87768 -44.67443 36.67815 1.000 23.99674 ? 33 ALA I HB2 1 ATOM 4460 H HB3 . ALA D 3 34 ? -33.53886 -45.67073 35.63233 1.000 23.99674 ? 33 ALA I HB3 1 ATOM 4461 N N . ILE D 3 35 ? -34.95964 -47.90830 37.96907 1.000 16.95937 ? 34 ILE I N 1 ATOM 4462 C CA . ILE D 3 35 ? -36.03998 -48.87260 37.78622 1.000 17.14182 ? 34 ILE I CA 1 ATOM 4463 C C . ILE D 3 35 ? -37.34827 -48.10519 37.68159 1.000 17.03881 ? 34 ILE I C 1 ATOM 4464 O O . ILE D 3 35 ? -37.65922 -47.28385 38.55303 1.000 18.06163 ? 34 ILE I O 1 ATOM 4465 C CB . ILE D 3 35 ? -36.13102 -49.82901 38.98803 1.000 19.71475 ? 34 ILE I CB 1 ATOM 4466 C CG1 . ILE D 3 35 ? -34.80828 -50.56107 39.20230 1.000 23.05203 ? 34 ILE I CG1 1 ATOM 4467 C CG2 . ILE D 3 35 ? -37.27911 -50.82938 38.79164 1.000 23.07220 ? 34 ILE I CG2 1 ATOM 4468 C CD1 . ILE D 3 35 ? -34.43810 -51.47693 38.09548 1.000 25.34613 ? 34 ILE I CD1 1 ATOM 4469 H H . ILE D 3 35 ? -35.05000 -47.42667 38.67580 1.000 20.34801 ? 34 ILE I H 1 ATOM 4470 H HA . ILE D 3 35 ? -35.88498 -49.37188 36.96915 1.000 20.56695 ? 34 ILE I HA 1 ATOM 4471 H HB . ILE D 3 35 ? -36.31357 -49.30029 39.78052 1.000 23.65447 ? 34 ILE I HB 1 ATOM 4472 H HG12 . ILE D 3 35 ? -34.10020 -49.90401 39.29059 1.000 27.65921 ? 34 ILE I HG12 1 ATOM 4473 H HG13 . ILE D 3 35 ? -34.87339 -51.08961 40.01304 1.000 27.65921 ? 34 ILE I HG13 1 ATOM 4474 H HG21 . ILE D 3 35 ? -37.19417 -51.54008 39.44630 1.000 27.68340 ? 34 ILE I HG21 1 ATOM 4475 H HG22 . ILE D 3 35 ? -38.12391 -50.36813 38.91188 1.000 27.68340 ? 34 ILE I HG22 1 ATOM 4476 H HG23 . ILE D 3 35 ? -37.22767 -51.19719 37.89556 1.000 27.68340 ? 34 ILE I HG23 1 ATOM 4477 H HD11 . ILE D 3 35 ? -33.51534 -51.75336 38.20955 1.000 30.41212 ? 34 ILE I HD11 1 ATOM 4478 H HD12 . ILE D 3 35 ? -35.02087 -52.25201 38.11864 1.000 30.41212 ? 34 ILE I HD12 1 ATOM 4479 H HD13 . ILE D 3 35 ? -34.54168 -51.01030 37.25143 1.000 30.41212 ? 34 ILE I HD13 1 ATOM 4480 N N . SER D 3 36 ? -38.12398 -48.38690 36.63941 1.000 16.64972 ? 35 SER I N 1 ATOM 4481 C CA . SER D 3 36 ? -39.42834 -47.77755 36.45806 1.000 16.51084 ? 35 SER I CA 1 ATOM 4482 C C . SER D 3 36 ? -40.51161 -48.78754 36.78549 1.000 15.39148 ? 35 SER I C 1 ATOM 4483 O O . SER D 3 36 ? -40.30574 -50.00395 36.73116 1.000 16.43179 ? 35 SER I O 1 ATOM 4484 C CB . SER D 3 36 ? -39.64895 -47.32880 35.00229 1.000 17.64514 ? 35 SER I CB 1 ATOM 4485 O OG . SER D 3 36 ? -38.85946 -46.20296 34.69435 1.000 16.78915 ? 35 SER I OG 1 ATOM 4486 H H . SER D 3 36 ? -37.90871 -48.93822 36.01547 1.000 19.97644 ? 35 SER I H 1 ATOM 4487 H HA . SER D 3 36 ? -39.48893 -47.00693 37.04404 1.000 19.80978 ? 35 SER I HA 1 ATOM 4488 H HB2 . SER D 3 36 ? -39.40565 -48.05602 34.40828 1.000 21.17094 ? 35 SER I HB2 1 ATOM 4489 H HB3 . SER D 3 36 ? -40.58389 -47.10036 34.88143 1.000 21.17094 ? 35 SER I HB3 1 ATOM 4490 H HG . SER D 3 36 ? -38.26077 -46.41371 34.14412 1.000 20.14375 ? 35 SER I HG 1 ATOM 4491 N N . TRP D 3 37 ? -41.69001 -48.26247 37.07945 1.000 15.44538 ? 36 TRP I N 1 ATOM 4492 C CA . TRP D 3 37 ? -42.90271 -49.06004 37.13576 1.000 15.37898 ? 36 TRP I CA 1 ATOM 4493 C C . TRP D 3 37 ? -43.82719 -48.60406 36.01639 1.000 14.55404 ? 36 TRP I C 1 ATOM 4494 O O . TRP D 3 37 ? -44.01465 -47.39579 35.81305 1.000 15.91563 ? 36 TRP I O 1 ATOM 4495 C CB . TRP D 3 37 ? -43.57340 -48.89595 38.49995 1.000 17.36161 ? 36 TRP I CB 1 ATOM 4496 C CG . TRP D 3 37 ? -42.82633 -49.59986 39.56217 1.000 16.70771 ? 36 TRP I CG 1 ATOM 4497 C CD1 . TRP D 3 37 ? -41.89212 -49.05769 40.39682 1.000 18.66190 ? 36 TRP I CD1 1 ATOM 4498 C CD2 . TRP D 3 37 ? -42.93810 -50.97945 39.90912 1.000 16.75776 ? 36 TRP I CD2 1 ATOM 4499 N NE1 . TRP D 3 37 ? -41.41597 -50.02396 41.26431 1.000 18.74512 ? 36 TRP I NE1 1 ATOM 4500 C CE2 . TRP D 3 37 ? -42.04190 -51.21477 40.98189 1.000 18.65359 ? 36 TRP I CE2 1 ATOM 4501 C CE3 . TRP D 3 37 ? -43.71622 -52.04162 39.43362 1.000 17.94065 ? 36 TRP I CE3 1 ATOM 4502 C CZ2 . TRP D 3 37 ? -41.91474 -52.45681 41.57292 1.000 20.61054 ? 36 TRP I CZ2 1 ATOM 4503 C CZ3 . TRP D 3 37 ? -43.58472 -53.26282 40.02021 1.000 20.24099 ? 36 TRP I CZ3 1 ATOM 4504 C CH2 . TRP D 3 37 ? -42.69131 -53.46005 41.08668 1.000 20.72367 ? 36 TRP I CH2 1 ATOM 4505 H H . TRP D 3 37 ? -41.81442 -47.42952 37.25356 1.000 18.53122 ? 36 TRP I H 1 ATOM 4506 H HA . TRP D 3 37 ? -42.70833 -50.00147 37.00602 1.000 18.45154 ? 36 TRP I HA 1 ATOM 4507 H HB2 . TRP D 3 37 ? -43.61116 -47.95361 38.72684 1.000 20.83070 ? 36 TRP I HB2 1 ATOM 4508 H HB3 . TRP D 3 37 ? -44.46995 -49.26429 38.46227 1.000 20.83070 ? 36 TRP I HB3 1 ATOM 4509 H HD1 . TRP D 3 37 ? -41.61646 -48.16957 40.38404 1.000 22.39106 ? 36 TRP I HD1 1 ATOM 4510 H HE1 . TRP D 3 37 ? -40.82648 -49.90036 41.87818 1.000 22.49091 ? 36 TRP I HE1 1 ATOM 4511 H HE3 . TRP D 3 37 ? -44.31157 -51.91528 38.73042 1.000 21.52555 ? 36 TRP I HE3 1 ATOM 4512 H HZ2 . TRP D 3 37 ? -41.32186 -52.60041 42.27490 1.000 24.72942 ? 36 TRP I HZ2 1 ATOM 4513 H HZ3 . TRP D 3 37 ? -44.09359 -53.97705 39.71065 1.000 24.28596 ? 36 TRP I HZ3 1 ATOM 4514 H HH2 . TRP D 3 37 ? -42.62959 -54.30423 41.47199 1.000 24.86517 ? 36 TRP I HH2 1 ATOM 4515 N N . VAL D 3 38 ? -44.31195 -49.57819 35.24856 1.000 15.98169 ? 37 VAL I N 1 ATOM 4516 C CA . VAL D 3 38 ? -45.12064 -49.37299 34.05757 1.000 15.71698 ? 37 VAL I CA 1 ATOM 4517 C C . VAL D 3 38 ? -46.30858 -50.29254 34.22318 1.000 19.44166 ? 37 VAL I C 1 ATOM 4518 O O . VAL D 3 38 ? -46.13904 -51.49404 34.46390 1.000 21.61503 ? 37 VAL I O 1 ATOM 4519 C CB . VAL D 3 38 ? -44.32867 -49.76730 32.80007 1.000 16.92309 ? 37 VAL I CB 1 ATOM 4520 C CG1 . VAL D 3 38 ? -45.23900 -49.73303 31.56077 1.000 18.49623 ? 37 VAL I CG1 1 ATOM 4521 C CG2 . VAL D 3 38 ? -43.11209 -48.89495 32.62108 1.000 17.42061 ? 37 VAL I CG2 1 ATOM 4522 H H . VAL D 3 38 ? -44.17593 -50.41195 35.40963 1.000 19.17480 ? 37 VAL I H 1 ATOM 4523 H HA . VAL D 3 38 ? -45.41353 -48.45232 33.97108 1.000 18.85714 ? 37 VAL I HA 1 ATOM 4524 H HB . VAL D 3 38 ? -44.00748 -50.67632 32.90695 1.000 20.30448 ? 37 VAL I HB 1 ATOM 4525 H HG11 . VAL D 3 38 ? -44.68748 -49.66715 30.76554 1.000 22.19225 ? 37 VAL I HG11 1 ATOM 4526 H HG12 . VAL D 3 38 ? -45.76449 -50.54786 31.53230 1.000 22.19225 ? 37 VAL I HG12 1 ATOM 4527 H HG13 . VAL D 3 38 ? -45.82574 -48.96297 31.62112 1.000 22.19225 ? 37 VAL I HG13 1 ATOM 4528 H HG21 . VAL D 3 38 ? -42.67223 -49.13310 31.78999 1.000 20.90150 ? 37 VAL I HG21 1 ATOM 4529 H HG22 . VAL D 3 38 ? -43.39072 -47.96623 32.59355 1.000 20.90150 ? 37 VAL I HG22 1 ATOM 4530 H HG23 . VAL D 3 38 ? -42.50885 -49.03733 33.36722 1.000 20.90150 ? 37 VAL I HG23 1 ATOM 4531 N N A ARG D 3 39 ? -47.50933 -49.75687 34.09624 0.664 20.79675 ? 38 ARG I N 1 ATOM 4532 N N B ARG D 3 39 ? -47.51930 -49.73194 34.15367 0.336 20.37875 ? 38 ARG I N 1 ATOM 4533 C CA A ARG D 3 39 ? -48.66447 -50.62011 34.21431 0.664 20.72563 ? 38 ARG I CA 1 ATOM 4534 C CA B ARG D 3 39 ? -48.74534 -50.50928 34.27136 0.336 21.00364 ? 38 ARG I CA 1 ATOM 4535 C C A ARG D 3 39 ? -49.43954 -50.69861 32.90854 0.664 20.46090 ? 38 ARG I C 1 ATOM 4536 C C B ARG D 3 39 ? -49.40387 -50.71823 32.90702 0.336 20.13569 ? 38 ARG I C 1 ATOM 4537 O O A ARG D 3 39 ? -49.30902 -49.86329 32.00303 0.664 19.35189 ? 38 ARG I O 1 ATOM 4538 O O B ARG D 3 39 ? -49.15038 -49.99300 31.94224 0.336 19.70937 ? 38 ARG I O 1 ATOM 4539 C CB A ARG D 3 39 ? -49.58699 -50.20855 35.36352 0.664 22.25543 ? 38 ARG I CB 1 ATOM 4540 C CB B ARG D 3 39 ? -49.74407 -49.86046 35.25449 0.336 22.44308 ? 38 ARG I CB 1 ATOM 4541 C CG A ARG D 3 39 ? -50.55460 -49.13145 35.01124 0.664 20.45416 ? 38 ARG I CG 1 ATOM 4542 C CG B ARG D 3 39 ? -50.44116 -48.59494 34.74735 0.336 21.92785 ? 38 ARG I CG 1 ATOM 4543 C CD A ARG D 3 39 ? -51.42197 -48.81712 36.20721 0.664 20.32535 ? 38 ARG I CD 1 ATOM 4544 C CD B ARG D 3 39 ? -51.74244 -48.24971 35.50516 0.336 22.22557 ? 38 ARG I CD 1 ATOM 4545 N NE A ARG D 3 39 ? -52.48847 -47.90814 35.83541 0.664 19.20175 ? 38 ARG I NE 1 ATOM 4546 N NE B ARG D 3 39 ? -52.70568 -47.64103 34.59085 0.336 23.22796 ? 38 ARG I NE 1 ATOM 4547 C CZ A ARG D 3 39 ? -53.38371 -47.42140 36.68281 0.664 20.59009 ? 38 ARG I CZ 1 ATOM 4548 C CZ B ARG D 3 39 ? -53.70293 -46.83746 34.93149 0.336 24.27396 ? 38 ARG I CZ 1 ATOM 4549 N NH1 A ARG D 3 39 ? -53.31593 -47.67345 37.99459 0.664 19.28535 ? 38 ARG I NH1 1 ATOM 4550 N NH1 B ARG D 3 39 ? -53.90403 -46.47733 36.18912 0.336 24.54692 ? 38 ARG I NH1 1 ATOM 4551 N NH2 A ARG D 3 39 ? -54.36900 -46.65701 36.20599 0.664 24.28062 ? 38 ARG I NH2 1 ATOM 4552 N NH2 B ARG D 3 39 ? -54.51359 -46.37382 33.97879 0.336 23.88012 ? 38 ARG I NH2 1 ATOM 4553 H H A ARG D 3 39 ? -47.67204 -48.92571 33.94688 0.664 24.95287 ? 38 ARG I H 1 ATOM 4554 H H B ARG D 3 39 ? -47.65287 -48.89043 34.03699 0.336 24.45127 ? 38 ARG I H 1 ATOM 4555 H HA A ARG D 3 39 ? -48.34293 -51.51350 34.41272 0.664 24.86752 ? 38 ARG I HA 1 ATOM 4556 H HA B ARG D 3 39 ? -48.51448 -51.38209 34.62606 0.336 25.20114 ? 38 ARG I HA 1 ATOM 4557 H HB2 A ARG D 3 39 ? -50.09820 -50.98369 35.64408 0.664 26.70329 ? 38 ARG I HB2 1 ATOM 4558 H HB2 B ARG D 3 39 ? -50.43595 -50.50895 35.45863 0.336 26.92847 ? 38 ARG I HB2 1 ATOM 4559 H HB3 A ARG D 3 39 ? -49.04235 -49.88647 36.09872 0.664 26.70329 ? 38 ARG I HB3 1 ATOM 4560 H HB3 B ARG D 3 39 ? -49.26443 -49.62144 36.06302 0.336 26.92847 ? 38 ARG I HB3 1 ATOM 4561 H HG2 A ARG D 3 39 ? -50.07370 -48.32920 34.75430 0.664 24.54177 ? 38 ARG I HG2 1 ATOM 4562 H HG2 B ARG D 3 39 ? -49.83499 -47.84410 34.84581 0.336 26.31019 ? 38 ARG I HG2 1 ATOM 4563 H HG3 A ARG D 3 39 ? -51.12240 -49.42579 34.28195 0.664 24.54177 ? 38 ARG I HG3 1 ATOM 4564 H HG3 B ARG D 3 39 ? -50.66851 -48.71738 33.81235 0.336 26.31019 ? 38 ARG I HG3 1 ATOM 4565 H HD2 A ARG D 3 39 ? -51.81716 -49.63556 36.54615 0.664 24.38719 ? 38 ARG I HD2 1 ATOM 4566 H HD2 B ARG D 3 39 ? -52.13076 -49.05873 35.87338 0.336 26.66746 ? 38 ARG I HD2 1 ATOM 4567 H HD3 A ARG D 3 39 ? -50.88450 -48.39769 36.89721 0.664 24.38719 ? 38 ARG I HD3 1 ATOM 4568 H HD3 B ARG D 3 39 ? -51.54875 -47.62062 36.21764 0.336 26.66746 ? 38 ARG I HD3 1 ATOM 4569 H HE A ARG D 3 39 ? -52.54380 -47.66918 35.01113 0.664 23.03887 ? 38 ARG I HE 1 ATOM 4570 H HE B ARG D 3 39 ? -52.61742 -47.82074 33.75448 0.336 27.87032 ? 38 ARG I HE 1 ATOM 4571 H HH11 A ARG D 3 39 ? -52.68040 -48.16182 38.30634 0.664 23.13919 ? 38 ARG I HH11 1 ATOM 4572 H HH11 B ARG D 3 39 ? -53.38108 -46.76584 36.80789 0.336 29.45307 ? 38 ARG I HH11 1 ATOM 4573 H HH12 A ARG D 3 39 ? -53.90788 -47.34713 38.52630 0.664 23.13919 ? 38 ARG I HH12 1 ATOM 4574 H HH12 B ARG D 3 39 ? -54.55764 -45.95480 36.38751 0.336 29.45307 ? 38 ARG I HH12 1 ATOM 4575 H HH21 A ARG D 3 39 ? -54.41380 -46.48911 35.36373 0.664 29.13351 ? 38 ARG I HH21 1 ATOM 4576 H HH21 B ARG D 3 39 ? -54.38485 -46.59726 33.15836 0.336 28.65291 ? 38 ARG I HH21 1 ATOM 4577 H HH22 A ARG D 3 39 ? -54.95888 -46.33252 36.74111 0.664 29.13351 ? 38 ARG I HH22 1 ATOM 4578 H HH22 B ARG D 3 39 ? -55.16492 -45.85149 34.18507 0.336 28.65291 ? 38 ARG I HH22 1 ATOM 4579 N N . GLN D 3 40 ? -50.25349 -51.73558 32.84018 1.000 19.51723 ? 39 GLN I N 1 ATOM 4580 C CA . GLN D 3 40 ? -50.98184 -52.04426 31.61446 1.000 20.06964 ? 39 GLN I CA 1 ATOM 4581 C C . GLN D 3 40 ? -52.32595 -52.62271 32.03172 1.000 20.46949 ? 39 GLN I C 1 ATOM 4582 O O . GLN D 3 40 ? -52.40926 -53.78281 32.44238 1.000 20.68721 ? 39 GLN I O 1 ATOM 4583 C CB . GLN D 3 40 ? -50.17984 -53.03000 30.78274 1.000 19.71498 ? 39 GLN I CB 1 ATOM 4584 C CG . GLN D 3 40 ? -50.85447 -53.38568 29.48106 1.000 19.59244 ? 39 GLN I CG 1 ATOM 4585 C CD . GLN D 3 40 ? -49.89625 -54.14656 28.60117 1.000 19.37861 ? 39 GLN I CD 1 ATOM 4586 O OE1 . GLN D 3 40 ? -49.31311 -55.14253 29.02250 1.000 21.81789 ? 39 GLN I OE1 1 ATOM 4587 N NE2 . GLN D 3 40 ? -49.68885 -53.65991 27.38237 1.000 20.20608 ? 39 GLN I NE2 1 ATOM 4588 H H . GLN D 3 40 ? -50.40478 -52.27985 33.48862 1.000 23.41744 ? 39 GLN I H 1 ATOM 4589 H HA . GLN D 3 40 ? -51.14322 -51.24655 31.08672 1.000 24.08033 ? 39 GLN I HA 1 ATOM 4590 H HB2 . GLN D 3 40 ? -49.31675 -52.63863 30.57585 1.000 23.65475 ? 39 GLN I HB2 1 ATOM 4591 H HB3 . GLN D 3 40 ? -50.06019 -53.84723 31.29139 1.000 23.65475 ? 39 GLN I HB3 1 ATOM 4592 H HG2 . GLN D 3 40 ? -51.62877 -53.94337 29.65523 1.000 23.50770 ? 39 GLN I HG2 1 ATOM 4593 H HG3 . GLN D 3 40 ? -51.12556 -52.57600 29.02081 1.000 23.50770 ? 39 GLN I HG3 1 ATOM 4594 H HE21 . GLN D 3 40 ? -50.09339 -52.94396 27.13065 1.000 24.24407 ? 39 GLN I HE21 1 ATOM 4595 H HE22 . GLN D 3 40 ? -49.15007 -54.06085 26.84520 1.000 24.24407 ? 39 GLN I HE22 1 ATOM 4596 N N . ALA D 3 41 ? -53.36680 -51.80401 31.94466 1.000 22.31911 ? 40 ALA I N 1 ATOM 4597 C CA . ALA D 3 41 ? -54.71195 -52.27476 32.21095 1.000 24.12819 ? 40 ALA I CA 1 ATOM 4598 C C . ALA D 3 41 ? -55.07953 -53.31928 31.16344 1.000 26.77234 ? 40 ALA I C 1 ATOM 4599 O O . ALA D 3 41 ? -54.52424 -53.33010 30.06457 1.000 25.64079 ? 40 ALA I O 1 ATOM 4600 C CB . ALA D 3 41 ? -55.69279 -51.11228 32.16750 1.000 26.71771 ? 40 ALA I CB 1 ATOM 4601 H H . ALA D 3 41 ? -53.31786 -50.97190 31.73303 1.000 26.77970 ? 40 ALA I H 1 ATOM 4602 H HA . ALA D 3 41 ? -54.77092 -52.67347 33.09325 1.000 28.95059 ? 40 ALA I HA 1 ATOM 4603 H HB1 . ALA D 3 41 ? -56.57672 -51.43600 32.40153 1.000 32.05803 ? 40 ALA I HB1 1 ATOM 4604 H HB2 . ALA D 3 41 ? -55.40934 -50.43603 32.80250 1.000 32.05803 ? 40 ALA I HB2 1 ATOM 4605 H HB3 . ALA D 3 41 ? -55.70301 -50.74103 31.27141 1.000 32.05803 ? 40 ALA I HB3 1 ATOM 4606 N N . PRO D 3 42 ? -56.02051 -54.20597 31.47377 1.000 30.26427 ? 41 PRO I N 1 ATOM 4607 C CA . PRO D 3 42 ? -56.29905 -55.32737 30.56155 1.000 31.55250 ? 41 PRO I CA 1 ATOM 4608 C C . PRO D 3 42 ? -56.71106 -54.84440 29.17786 1.000 32.22934 ? 41 PRO I C 1 ATOM 4609 O O . PRO D 3 42 ? -57.66398 -54.07181 29.02697 1.000 32.40365 ? 41 PRO I O 1 ATOM 4610 C CB . PRO D 3 42 ? -57.44402 -56.07687 31.26016 1.000 32.85131 ? 41 PRO I CB 1 ATOM 4611 C CG . PRO D 3 42 ? -57.32630 -55.68883 32.71111 1.000 33.19462 ? 41 PRO I CG 1 ATOM 4612 C CD . PRO D 3 42 ? -56.82782 -54.26890 32.70730 1.000 31.98984 ? 41 PRO I CD 1 ATOM 4613 H HA . PRO D 3 42 ? -55.52003 -55.90033 30.48573 1.000 37.85977 ? 41 PRO I HA 1 ATOM 4614 H HB2 . PRO D 3 42 ? -58.29666 -55.79599 30.89271 1.000 39.41834 ? 41 PRO I HB2 1 ATOM 4615 H HB3 . PRO D 3 42 ? -57.33233 -57.03357 31.14545 1.000 39.41834 ? 41 PRO I HB3 1 ATOM 4616 H HG2 . PRO D 3 42 ? -58.19483 -55.74841 33.13889 1.000 39.83032 ? 41 PRO I HG2 1 ATOM 4617 H HG3 . PRO D 3 42 ? -56.69548 -56.27472 33.15799 1.000 39.83032 ? 41 PRO I HG3 1 ATOM 4618 H HD2 . PRO D 3 42 ? -57.56713 -53.64206 32.67009 1.000 38.38458 ? 41 PRO I HD2 1 ATOM 4619 H HD3 . PRO D 3 42 ? -56.28127 -54.09127 33.48873 1.000 38.38458 ? 41 PRO I HD3 1 ATOM 4620 N N . GLY D 3 43 ? -55.98642 -55.32566 28.16448 1.000 30.71109 ? 42 GLY I N 1 ATOM 4621 C CA . GLY D 3 43 ? -56.25041 -54.97561 26.78445 1.000 30.90972 ? 42 GLY I CA 1 ATOM 4622 C C . GLY D 3 43 ? -55.84786 -53.57170 26.39862 1.000 31.27918 ? 42 GLY I C 1 ATOM 4623 O O . GLY D 3 43 ? -56.17872 -53.13607 25.28791 1.000 32.53311 ? 42 GLY I O 1 ATOM 4624 H H . GLY D 3 43 ? -55.32496 -55.86691 28.25999 1.000 36.85008 ? 42 GLY I H 1 ATOM 4625 H HA2 . GLY D 3 43 ? -55.76773 -55.59045 26.21010 1.000 37.08844 ? 42 GLY I HA2 1 ATOM 4626 H HA3 . GLY D 3 43 ? -57.20141 -55.06754 26.61699 1.000 37.08844 ? 42 GLY I HA3 1 ATOM 4627 N N . GLN D 3 44 ? -55.15218 -52.84681 27.27898 1.000 27.82907 ? 43 GLN I N 1 ATOM 4628 C CA . GLN D 3 44 ? -54.78992 -51.45694 27.04850 1.000 27.94035 ? 43 GLN I CA 1 ATOM 4629 C C . GLN D 3 44 ? -53.27535 -51.33460 26.92088 1.000 24.66709 ? 43 GLN I C 1 ATOM 4630 O O . GLN D 3 44 ? -52.54426 -52.32718 26.91681 1.000 24.46996 ? 43 GLN I O 1 ATOM 4631 C CB . GLN D 3 44 ? -55.33787 -50.57383 28.17140 1.000 31.80082 ? 43 GLN I CB 1 ATOM 4632 C CG . GLN D 3 44 ? -56.84052 -50.73389 28.38285 1.000 36.99760 ? 43 GLN I CG 1 ATOM 4633 C CD . GLN D 3 44 ? -57.61232 -50.64921 27.07875 1.000 43.16754 ? 43 GLN I CD 1 ATOM 4634 O OE1 . GLN D 3 44 ? -57.55128 -49.64419 26.37496 1.000 43.25628 ? 43 GLN I OE1 1 ATOM 4635 N NE2 . GLN D 3 44 ? -58.33082 -51.71861 26.74117 1.000 50.10395 ? 43 GLN I NE2 1 ATOM 4636 H H . GLN D 3 44 ? -54.87492 -53.15160 28.03385 1.000 33.39165 ? 43 GLN I H 1 ATOM 4637 H HA . GLN D 3 44 ? -55.18260 -51.15606 26.21413 1.000 33.52519 ? 43 GLN I HA 1 ATOM 4638 H HB2 . GLN D 3 44 ? -54.89301 -50.80846 29.00083 1.000 38.15776 ? 43 GLN I HB2 1 ATOM 4639 H HB3 . GLN D 3 44 ? -55.16439 -49.64475 27.95319 1.000 38.15776 ? 43 GLN I HB3 1 ATOM 4640 H HG2 . GLN D 3 44 ? -57.01562 -51.60015 28.78264 1.000 44.39389 ? 43 GLN I HG2 1 ATOM 4641 H HG3 . GLN D 3 44 ? -57.15693 -50.02822 28.96835 1.000 44.39389 ? 43 GLN I HG3 1 ATOM 4642 H HE21 . GLN D 3 44 ? -58.34029 -52.40944 27.25329 1.000 60.12151 ? 43 GLN I HE21 1 ATOM 4643 H HE22 . GLN D 3 44 ? -58.78530 -51.71831 26.01107 1.000 60.12151 ? 43 GLN I HE22 1 ATOM 4644 N N . GLY D 3 45 ? -52.81694 -50.09270 26.79165 1.000 23.01635 ? 44 GLY I N 1 ATOM 4645 C CA . GLY D 3 45 ? -51.42194 -49.81073 26.52605 1.000 21.41943 ? 44 GLY I CA 1 ATOM 4646 C C . GLY D 3 45 ? -50.57305 -49.67026 27.77686 1.000 21.47303 ? 44 GLY I C 1 ATOM 4647 O O . GLY D 3 45 ? -51.05112 -49.69397 28.90579 1.000 23.99966 ? 44 GLY I O 1 ATOM 4648 H H . GLY D 3 45 ? -53.30664 -49.38864 26.85559 1.000 27.61639 ? 44 GLY I H 1 ATOM 4649 H HA2 . GLY D 3 45 ? -51.05113 -50.53077 25.99226 1.000 25.70009 ? 44 GLY I HA2 1 ATOM 4650 H HA3 . GLY D 3 45 ? -51.35773 -48.98180 26.02639 1.000 25.70009 ? 44 GLY I HA3 1 ATOM 4651 N N . LEU D 3 46 ? -49.26975 -49.53807 27.55088 1.000 19.92787 ? 45 LEU I N 1 ATOM 4652 C CA . LEU D 3 46 ? -48.31032 -49.32240 28.62488 1.000 19.83833 ? 45 LEU I CA 1 ATOM 4653 C C . LEU D 3 46 ? -48.37948 -47.88740 29.11614 1.000 19.01670 ? 45 LEU I C 1 ATOM 4654 O O . LEU D 3 46 ? -48.51409 -46.95224 28.32477 1.000 20.50949 ? 45 LEU I O 1 ATOM 4655 C CB . LEU D 3 46 ? -46.89522 -49.58104 28.10478 1.000 18.16409 ? 45 LEU I CB 1 ATOM 4656 C CG . LEU D 3 46 ? -46.63815 -50.97251 27.54058 1.000 19.74262 ? 45 LEU I CG 1 ATOM 4657 C CD1 . LEU D 3 46 ? -45.28977 -51.07444 26.83454 1.000 20.88742 ? 45 LEU I CD1 1 ATOM 4658 C CD2 . LEU D 3 46 ? -46.71199 -52.00754 28.62856 1.000 21.83602 ? 45 LEU I CD2 1 ATOM 4659 H H . LEU D 3 46 ? -48.91049 -49.57018 26.77018 1.000 23.91022 ? 45 LEU I H 1 ATOM 4660 H HA . LEU D 3 46 ? -48.50893 -49.92252 29.36062 1.000 23.80277 ? 45 LEU I HA 1 ATOM 4661 H HB2 . LEU D 3 46 ? -46.71209 -48.94479 27.39587 1.000 21.79367 ? 45 LEU I HB2 1 ATOM 4662 H HB3 . LEU D 3 46 ? -46.27414 -49.44862 28.83801 1.000 21.79367 ? 45 LEU I HB3 1 ATOM 4663 H HG . LEU D 3 46 ? -47.32802 -51.14642 26.88124 1.000 23.68792 ? 45 LEU I HG 1 ATOM 4664 H HD11 . LEU D 3 46 ? -45.20697 -51.95561 26.43759 1.000 25.06167 ? 45 LEU I HD11 1 ATOM 4665 H HD12 . LEU D 3 46 ? -45.24269 -50.39483 26.14403 1.000 25.06167 ? 45 LEU I HD12 1 ATOM 4666 H HD13 . LEU D 3 46 ? -44.58223 -50.93618 27.48352 1.000 25.06167 ? 45 LEU I HD13 1 ATOM 4667 H HD21 . LEU D 3 46 ? -46.48185 -52.87342 28.25683 1.000 26.20000 ? 45 LEU I HD21 1 ATOM 4668 H HD22 . LEU D 3 46 ? -46.08607 -51.77229 29.33125 1.000 26.20000 ? 45 LEU I HD22 1 ATOM 4669 H HD23 . LEU D 3 46 ? -47.61459 -52.02913 28.98316 1.000 26.20000 ? 45 LEU I HD23 1 ATOM 4670 N N A GLU D 3 47 ? -48.20655 -47.70994 30.42484 0.428 19.07223 ? 46 GLU I N 1 ATOM 4671 N N B GLU D 3 47 ? -48.27992 -47.72009 30.43131 0.572 19.19100 ? 46 GLU I N 1 ATOM 4672 C CA A GLU D 3 47 ? -48.33690 -46.40385 31.06483 0.428 20.30332 ? 46 GLU I CA 1 ATOM 4673 C CA B GLU D 3 47 ? -48.30630 -46.39821 31.03659 0.572 20.50887 ? 46 GLU I CA 1 ATOM 4674 C C A GLU D 3 47 ? -47.29004 -46.28091 32.16118 0.428 19.17927 ? 46 GLU I C 1 ATOM 4675 C C B GLU D 3 47 ? -47.23256 -46.32163 32.10753 0.572 18.90342 ? 46 GLU I C 1 ATOM 4676 O O A GLU D 3 47 ? -47.26860 -47.08219 33.10209 0.428 20.17692 ? 46 GLU I O 1 ATOM 4677 O O B GLU D 3 47 ? -47.13770 -47.19780 32.97385 0.572 19.70015 ? 46 GLU I O 1 ATOM 4678 C CB A GLU D 3 47 ? -49.74634 -46.25961 31.65838 0.428 23.09974 ? 46 GLU I CB 1 ATOM 4679 C CB B GLU D 3 47 ? -49.66894 -46.10480 31.68231 0.572 24.72595 ? 46 GLU I CB 1 ATOM 4680 C CG A GLU D 3 47 ? -49.94031 -45.11685 32.63657 0.428 24.76750 ? 46 GLU I CG 1 ATOM 4681 C CG B GLU D 3 47 ? -50.83261 -46.06811 30.71275 0.572 29.90389 ? 46 GLU I CG 1 ATOM 4682 C CD A GLU D 3 47 ? -51.39382 -44.95689 33.05976 0.428 27.24264 ? 46 GLU I CD 1 ATOM 4683 C CD B GLU D 3 47 ? -52.14581 -45.82542 31.43171 0.572 34.58123 ? 46 GLU I CD 1 ATOM 4684 O OE1 A GLU D 3 47 ? -52.04777 -45.96072 33.43384 0.428 26.48839 ? 46 GLU I OE1 1 ATOM 4685 O OE1 B GLU D 3 47 ? -52.22164 -44.85829 32.21331 0.572 34.47209 ? 46 GLU I OE1 1 ATOM 4686 O OE2 A GLU D 3 47 ? -51.89245 -43.81576 33.01266 0.428 29.59994 -1 46 GLU I OE2 1 ATOM 4687 O OE2 B GLU D 3 47 ? -53.08320 -46.62429 31.24169 0.572 41.49371 -1 46 GLU I OE2 1 ATOM 4688 H H A GLU D 3 47 ? -48.00950 -48.34292 30.97266 0.428 22.88344 ? 46 GLU I H 1 ATOM 4689 H H B GLU D 3 47 ? -48.19571 -48.36318 30.99605 0.572 23.02597 ? 46 GLU I H 1 ATOM 4690 H HA A GLU D 3 47 ? -48.17663 -45.69778 30.41932 0.428 24.36076 ? 46 GLU I HA 1 ATOM 4691 H HA B GLU D 3 47 ? -48.12770 -45.73475 30.35188 0.572 24.60742 ? 46 GLU I HA 1 ATOM 4692 H HB2 A GLU D 3 47 ? -50.37014 -46.12141 30.92853 0.428 27.71646 ? 46 GLU I HB2 1 ATOM 4693 H HB2 B GLU D 3 47 ? -49.85532 -46.79611 32.33672 0.572 29.66790 ? 46 GLU I HB2 1 ATOM 4694 H HB3 A GLU D 3 47 ? -49.96271 -47.07978 32.12892 0.428 27.71646 ? 46 GLU I HB3 1 ATOM 4695 H HB3 B GLU D 3 47 ? -49.62383 -45.23922 32.11779 0.572 29.66790 ? 46 GLU I HB3 1 ATOM 4696 H HG2 A GLU D 3 47 ? -49.41156 -45.28640 33.43192 0.428 29.71777 ? 46 GLU I HG2 1 ATOM 4697 H HG2 B GLU D 3 47 ? -50.69646 -45.35033 30.07466 0.572 35.88144 ? 46 GLU I HG2 1 ATOM 4698 H HG3 A GLU D 3 47 ? -49.65503 -44.28925 32.21873 0.428 29.71777 ? 46 GLU I HG3 1 ATOM 4699 H HG3 B GLU D 3 47 ? -50.89088 -46.91791 30.24870 0.572 35.88144 ? 46 GLU I HG3 1 ATOM 4700 N N . TRP D 3 48 ? -46.43248 -45.26877 32.05938 1.000 19.27434 ? 47 TRP I N 1 ATOM 4701 C CA . TRP D 3 48 ? -45.36960 -45.10046 33.03970 1.000 19.43638 ? 47 TRP I CA 1 ATOM 4702 C C . TRP D 3 48 ? -45.93241 -44.48385 34.30455 1.000 20.01693 ? 47 TRP I C 1 ATOM 4703 O O . TRP D 3 48 ? -46.65637 -43.48238 34.26175 1.000 21.92361 ? 47 TRP I O 1 ATOM 4704 C CB . TRP D 3 48 ? -44.31061 -44.17565 32.47551 1.000 19.42343 ? 47 TRP I CB 1 ATOM 4705 C CG . TRP D 3 48 ? -42.99720 -44.01435 33.21744 1.000 16.74892 ? 47 TRP I CG 1 ATOM 4706 C CD1 . TRP D 3 48 ? -42.00100 -44.91712 33.33099 1.000 17.05139 ? 47 TRP I CD1 1 ATOM 4707 C CD2 . TRP D 3 48 ? -42.51604 -42.80656 33.82505 1.000 17.07054 ? 47 TRP I CD2 1 ATOM 4708 N NE1 . TRP D 3 48 ? -40.94319 -44.36923 34.00543 1.000 17.80988 ? 47 TRP I NE1 1 ATOM 4709 C CE2 . TRP D 3 48 ? -41.23436 -43.07082 34.32014 1.000 16.90128 ? 47 TRP I CE2 1 ATOM 4710 C CE3 . TRP D 3 48 ? -43.07133 -41.53561 34.03342 1.000 18.46615 ? 47 TRP I CE3 1 ATOM 4711 C CZ2 . TRP D 3 48 ? -40.46510 -42.10089 34.96025 1.000 17.59277 ? 47 TRP I CZ2 1 ATOM 4712 C CZ3 . TRP D 3 48 ? -42.32957 -40.58184 34.67032 1.000 19.98416 ? 47 TRP I CZ3 1 ATOM 4713 C CH2 . TRP D 3 48 ? -41.03468 -40.87704 35.15549 1.000 19.37737 ? 47 TRP I CH2 1 ATOM 4714 H H . TRP D 3 48 ? -46.48312 -44.64138 31.47337 1.000 23.12598 ? 47 TRP I H 1 ATOM 4715 H HA . TRP D 3 48 ? -44.97725 -45.96204 33.25100 1.000 23.32043 ? 47 TRP I HA 1 ATOM 4716 H HB2 . TRP D 3 48 ? -44.08484 -44.49882 31.58924 1.000 23.30489 ? 47 TRP I HB2 1 ATOM 4717 H HB3 . TRP D 3 48 ? -44.70046 -43.28942 32.41614 1.000 23.30489 ? 47 TRP I HB3 1 ATOM 4718 H HD1 . TRP D 3 48 ? -42.02889 -45.78549 32.99925 1.000 20.45844 ? 47 TRP I HD1 1 ATOM 4719 H HE1 . TRP D 3 48 ? -40.21152 -44.77701 34.20029 1.000 21.36862 ? 47 TRP I HE1 1 ATOM 4720 H HE3 . TRP D 3 48 ? -43.93351 -41.34473 33.74166 1.000 22.15615 ? 47 TRP I HE3 1 ATOM 4721 H HZ2 . TRP D 3 48 ? -39.59766 -42.28101 35.24311 1.000 21.10809 ? 47 TRP I HZ2 1 ATOM 4722 H HZ3 . TRP D 3 48 ? -42.68028 -39.72834 34.78624 1.000 23.97776 ? 47 TRP I HZ3 1 ATOM 4723 H HH2 . TRP D 3 48 ? -40.56148 -40.22308 35.61736 1.000 23.24961 ? 47 TRP I HH2 1 ATOM 4724 N N . MET D 3 49 ? -45.57208 -45.06847 35.42904 1.000 17.97395 ? 48 MET I N 1 ATOM 4725 C CA . MET D 3 49 ? -46.00142 -44.54078 36.71352 1.000 18.75051 ? 48 MET I CA 1 ATOM 4726 C C . MET D 3 49 ? -44.94115 -43.67718 37.35580 1.000 18.43365 ? 48 MET I C 1 ATOM 4727 O O . MET D 3 49 ? -45.27138 -42.76499 38.13128 1.000 19.28933 ? 48 MET I O 1 ATOM 4728 C CB . MET D 3 49 ? -46.30792 -45.68798 37.67060 1.000 20.62007 ? 48 MET I CB 1 ATOM 4729 C CG . MET D 3 49 ? -47.36413 -46.60691 37.11549 1.000 20.86641 ? 48 MET I CG 1 ATOM 4730 S SD . MET D 3 49 ? -47.80109 -47.86836 38.27155 1.000 24.55405 ? 48 MET I SD 1 ATOM 4731 C CE . MET D 3 49 ? -48.83915 -46.93092 39.48255 1.000 23.39146 ? 48 MET I CE 1 ATOM 4732 H H . MET D 3 49 ? -45.07956 -45.77177 35.47792 1.000 21.56551 ? 48 MET I H 1 ATOM 4733 H HA . MET D 3 49 ? -46.81335 -44.02571 36.58557 1.000 22.49738 ? 48 MET I HA 1 ATOM 4734 H HB2 . MET D 3 49 ? -45.50084 -46.20519 37.81902 1.000 24.74085 ? 48 MET I HB2 1 ATOM 4735 H HB3 . MET D 3 49 ? -46.62939 -45.32619 38.51123 1.000 24.74085 ? 48 MET I HB3 1 ATOM 4736 H HG2 . MET D 3 49 ? -48.16049 -46.09267 36.90990 1.000 25.03647 ? 48 MET I HG2 1 ATOM 4737 H HG3 . MET D 3 49 ? -47.02781 -47.03322 36.31172 1.000 25.03647 ? 48 MET I HG3 1 ATOM 4738 H HE1 . MET D 3 49 ? -49.16161 -47.54303 40.16243 1.000 28.06652 ? 48 MET I HE1 1 ATOM 4739 H HE2 . MET D 3 49 ? -48.29838 -46.23728 39.89160 1.000 28.06652 ? 48 MET I HE2 1 ATOM 4740 H HE3 . MET D 3 49 ? -49.58902 -46.53242 39.01374 1.000 28.06652 ? 48 MET I HE3 1 ATOM 4741 N N . GLY D 3 50 ? -43.68973 -43.93829 37.02341 1.000 17.67818 ? 49 GLY I N 1 ATOM 4742 C CA . GLY D 3 50 ? -42.57097 -43.25939 37.63032 1.000 17.19575 ? 49 GLY I CA 1 ATOM 4743 C C . GLY D 3 50 ? -41.41523 -44.22842 37.74233 1.000 16.15632 ? 49 GLY I C 1 ATOM 4744 O O . GLY D 3 50 ? -41.48872 -45.36531 37.29524 1.000 16.29445 ? 49 GLY I O 1 ATOM 4745 H H . GLY D 3 50 ? -43.45977 -44.52012 36.43332 1.000 21.21059 ? 49 GLY I H 1 ATOM 4746 H HA2 . GLY D 3 50 ? -42.30270 -42.50245 37.08630 1.000 20.63166 ? 49 GLY I HA2 1 ATOM 4747 H HA3 . GLY D 3 50 ? -42.81061 -42.94303 38.51541 1.000 20.63166 ? 49 GLY I HA3 1 ATOM 4748 N N . GLY D 3 51 ? -40.35539 -43.74663 38.36864 1.000 18.28992 ? 50 GLY I N 1 ATOM 4749 C CA . GLY D 3 51 ? -39.17936 -44.57708 38.53329 1.000 16.60153 ? 50 GLY I CA 1 ATOM 4750 C C . GLY D 3 51 ? -38.35025 -44.06873 39.68269 1.000 18.19640 ? 50 GLY I C 1 ATOM 4751 O O . GLY D 3 51 ? -38.61074 -43.00563 40.25689 1.000 18.55947 ? 50 GLY I O 1 ATOM 4752 H H . GLY D 3 51 ? -40.29395 -42.95595 38.70128 1.000 21.94467 ? 50 GLY I H 1 ATOM 4753 H HA2 . GLY D 3 51 ? -39.44323 -45.49267 38.71489 1.000 19.91860 ? 50 GLY I HA2 1 ATOM 4754 H HA3 . GLY D 3 51 ? -38.64401 -44.55719 37.72464 1.000 19.91860 ? 50 GLY I HA3 1 ATOM 4755 N N . ILE D 3 52 ? -37.35232 -44.85494 40.03136 1.000 18.87001 ? 51 ILE I N 1 ATOM 4756 C CA . ILE D 3 52 ? -36.46330 -44.51054 41.12632 1.000 19.30625 ? 51 ILE I CA 1 ATOM 4757 C C . ILE D 3 52 ? -35.03137 -44.72679 40.69216 1.000 20.16553 ? 51 ILE I C 1 ATOM 4758 O O . ILE D 3 52 ? -34.70038 -45.70487 40.00395 1.000 21.59157 ? 51 ILE I O 1 ATOM 4759 C CB . ILE D 3 52 ? -36.79441 -45.28449 42.41292 1.000 20.52762 ? 51 ILE I CB 1 ATOM 4760 C CG1 . ILE D 3 52 ? -35.84067 -44.84563 43.52864 1.000 23.89374 ? 51 ILE I CG1 1 ATOM 4761 C CG2 . ILE D 3 52 ? -36.70295 -46.76632 42.18834 1.000 20.00421 ? 51 ILE I CG2 1 ATOM 4762 C CD1 . ILE D 3 52 ? -36.47156 -44.94882 44.87602 1.000 26.99123 ? 51 ILE I CD1 1 ATOM 4763 H H . ILE D 3 52 ? -37.16635 -45.60106 39.64623 1.000 22.64079 ? 51 ILE I H 1 ATOM 4764 H HA . ILE D 3 52 ? -36.56386 -43.56656 41.32558 1.000 23.16426 ? 51 ILE I HA 1 ATOM 4765 H HB . ILE D 3 52 ? -37.70665 -45.08196 42.67312 1.000 24.62991 ? 51 ILE I HB 1 ATOM 4766 H HG12 . ILE D 3 52 ? -35.05441 -45.41359 43.51742 1.000 28.66925 ? 51 ILE I HG12 1 ATOM 4767 H HG13 . ILE D 3 52 ? -35.58441 -43.92141 43.38354 1.000 28.66925 ? 51 ILE I HG13 1 ATOM 4768 H HG21 . ILE D 3 52 ? -36.95282 -47.22556 43.00539 1.000 24.00182 ? 51 ILE I HG21 1 ATOM 4769 H HG22 . ILE D 3 52 ? -37.30694 -47.01491 41.47120 1.000 24.00182 ? 51 ILE I HG22 1 ATOM 4770 H HG23 . ILE D 3 52 ? -35.79139 -46.99344 41.94675 1.000 24.00182 ? 51 ILE I HG23 1 ATOM 4771 H HD11 . ILE D 3 52 ? -35.81404 -44.71881 45.55106 1.000 32.38624 ? 51 ILE I HD11 1 ATOM 4772 H HD12 . ILE D 3 52 ? -37.22112 -44.33484 44.92162 1.000 32.38624 ? 51 ILE I HD12 1 ATOM 4773 H HD13 . ILE D 3 52 ? -36.78030 -45.85836 45.01135 1.000 32.38624 ? 51 ILE I HD13 1 ATOM 4774 N N . ILE D 3 53 ? -34.14708 -43.82844 41.11388 1.000 21.83212 ? 52 ILE I N 1 ATOM 4775 C CA . ILE D 3 53 ? -32.74094 -43.93939 40.85643 1.000 22.89970 ? 52 ILE I CA 1 ATOM 4776 C C . ILE D 3 53 ? -32.03424 -44.01925 42.20738 1.000 22.00165 ? 52 ILE I C 1 ATOM 4777 O O . ILE D 3 53 ? -31.76882 -43.02078 42.84703 1.000 20.59137 ? 52 ILE I O 1 ATOM 4778 C CB . ILE D 3 53 ? -32.22234 -42.70778 40.06651 1.000 23.82853 ? 52 ILE I CB 1 ATOM 4779 C CG1 . ILE D 3 53 ? -33.06991 -42.49714 38.81589 1.000 26.57768 ? 52 ILE I CG1 1 ATOM 4780 C CG2 . ILE D 3 53 ? -30.77168 -42.90052 39.70744 1.000 26.12934 ? 52 ILE I CG2 1 ATOM 4781 C CD1 . ILE D 3 53 ? -32.84494 -41.13921 38.19748 1.000 26.27723 ? 52 ILE I CD1 1 ATOM 4782 H H . ILE D 3 53 ? -34.35795 -43.12735 41.56511 1.000 26.19531 ? 52 ILE I H 1 ATOM 4783 H HA . ILE D 3 53 ? -32.56489 -44.74549 40.34643 1.000 27.47641 ? 52 ILE I HA 1 ATOM 4784 H HB . ILE D 3 53 ? -32.29818 -41.91738 40.62366 1.000 28.59100 ? 52 ILE I HB 1 ATOM 4785 H HG12 . ILE D 3 53 ? -32.83898 -43.17146 38.15797 1.000 31.88999 ? 52 ILE I HG12 1 ATOM 4786 H HG13 . ILE D 3 53 ? -34.00799 -42.57092 39.05138 1.000 31.88999 ? 52 ILE I HG13 1 ATOM 4787 H HG21 . ILE D 3 53 ? -30.51360 -42.22417 39.06181 1.000 31.35198 ? 52 ILE I HG21 1 ATOM 4788 H HG22 . ILE D 3 53 ? -30.23358 -42.81426 40.50988 1.000 31.35198 ? 52 ILE I HG22 1 ATOM 4789 H HG23 . ILE D 3 53 ? -30.65578 -43.78433 39.32488 1.000 31.35198 ? 52 ILE I HG23 1 ATOM 4790 H HD11 . ILE D 3 53 ? -33.43833 -41.03626 37.43710 1.000 31.52944 ? 52 ILE I HD11 1 ATOM 4791 H HD12 . ILE D 3 53 ? -33.03367 -40.45562 38.85929 1.000 31.52944 ? 52 ILE I HD12 1 ATOM 4792 H HD13 . ILE D 3 53 ? -31.92156 -41.07318 37.90780 1.000 31.52944 ? 52 ILE I HD13 1 ATOM 4793 N N . PRO D 3 54 ? -31.77335 -45.24903 42.68605 1.000 23.04662 ? 53 PRO I N 1 ATOM 4794 C CA . PRO D 3 54 ? -31.30291 -45.37306 44.08174 1.000 23.37571 ? 53 PRO I CA 1 ATOM 4795 C C . PRO D 3 54 ? -30.04262 -44.59356 44.37787 1.000 21.75903 ? 53 PRO I C 1 ATOM 4796 O O . PRO D 3 54 ? -29.86745 -44.08864 45.48719 1.000 21.39921 ? 53 PRO I O 1 ATOM 4797 C CB . PRO D 3 54 ? -31.09277 -46.88675 44.24734 1.000 25.35116 ? 53 PRO I CB 1 ATOM 4798 C CG . PRO D 3 54 ? -32.02842 -47.50508 43.26244 1.000 25.78397 ? 53 PRO I CG 1 ATOM 4799 C CD . PRO D 3 54 ? -32.16244 -46.54587 42.10819 1.000 25.54673 ? 53 PRO I CD 1 ATOM 4800 H HA . PRO D 3 54 ? -32.00077 -45.07770 44.68725 1.000 28.04762 ? 53 PRO I HA 1 ATOM 4801 H HB2 . PRO D 3 54 ? -30.17235 -47.11804 44.04673 1.000 30.41817 ? 53 PRO I HB2 1 ATOM 4802 H HB3 . PRO D 3 54 ? -31.31244 -47.15527 45.15318 1.000 30.41817 ? 53 PRO I HB3 1 ATOM 4803 H HG2 . PRO D 3 54 ? -31.66246 -48.35053 42.95881 1.000 30.93753 ? 53 PRO I HG2 1 ATOM 4804 H HG3 . PRO D 3 54 ? -32.88992 -47.64890 43.68440 1.000 30.93753 ? 53 PRO I HG3 1 ATOM 4805 H HD2 . PRO D 3 54 ? -31.56526 -46.79292 41.38483 1.000 30.65284 ? 53 PRO I HD2 1 ATOM 4806 H HD3 . PRO D 3 54 ? -33.07774 -46.51886 41.78819 1.000 30.65284 ? 53 PRO I HD3 1 ATOM 4807 N N . ILE D 3 55 ? -29.13883 -44.46690 43.40901 1.000 21.37443 ? 54 ILE I N 1 ATOM 4808 C CA . ILE D 3 55 ? -27.88114 -43.78699 43.69412 1.000 22.56857 ? 54 ILE I CA 1 ATOM 4809 C C . ILE D 3 55 ? -28.08605 -42.30611 43.99687 1.000 22.38558 ? 54 ILE I C 1 ATOM 4810 O O . ILE D 3 55 ? -27.23598 -41.69084 44.65370 1.000 22.65386 ? 54 ILE I O 1 ATOM 4811 C CB . ILE D 3 55 ? -26.89462 -44.08724 42.55549 1.000 25.64134 ? 54 ILE I CB 1 ATOM 4812 C CG1 . ILE D 3 55 ? -25.46569 -43.99103 43.05872 1.000 29.97436 ? 54 ILE I CG1 1 ATOM 4813 C CG2 . ILE D 3 55 ? -27.16578 -43.18352 41.36932 1.000 25.35855 ? 54 ILE I CG2 1 ATOM 4814 C CD1 . ILE D 3 55 ? -24.53818 -44.98849 42.39891 1.000 35.32478 ? 54 ILE I CD1 1 ATOM 4815 H H . ILE D 3 55 ? -29.22726 -44.75670 42.60416 1.000 25.64609 ? 54 ILE I H 1 ATOM 4816 H HA . ILE D 3 55 ? -27.47724 -44.13256 44.50550 1.000 27.07906 ? 54 ILE I HA 1 ATOM 4817 H HB . ILE D 3 55 ? -27.02413 -44.99850 42.24934 1.000 30.76637 ? 54 ILE I HB 1 ATOM 4818 H HG12 . ILE D 3 55 ? -25.12677 -43.10076 42.87585 1.000 35.96601 ? 54 ILE I HG12 1 ATOM 4819 H HG13 . ILE D 3 55 ? -25.45623 -44.15990 44.01386 1.000 35.96601 ? 54 ILE I HG13 1 ATOM 4820 H HG21 . ILE D 3 55 ? -26.63323 -43.48296 40.61591 1.000 30.42703 ? 54 ILE I HG21 1 ATOM 4821 H HG22 . ILE D 3 55 ? -28.10879 -43.22901 41.14671 1.000 30.42703 ? 54 ILE I HG22 1 ATOM 4822 H HG23 . ILE D 3 55 ? -26.92481 -42.27368 41.60390 1.000 30.42703 ? 54 ILE I HG23 1 ATOM 4823 H HD11 . ILE D 3 55 ? -23.65224 -44.89820 42.78342 1.000 42.38650 ? 54 ILE I HD11 1 ATOM 4824 H HD12 . ILE D 3 55 ? -24.87623 -45.88440 42.55372 1.000 42.38650 ? 54 ILE I HD12 1 ATOM 4825 H HD13 . ILE D 3 55 ? -24.50548 -44.80726 41.44655 1.000 42.38650 ? 54 ILE I HD13 1 ATOM 4826 N N . PHE D 3 56 ? -29.21161 -41.72497 43.59633 1.000 22.39078 ? 55 PHE I N 1 ATOM 4827 C CA . PHE D 3 56 ? -29.56449 -40.36562 43.98256 1.000 21.46551 ? 55 PHE I CA 1 ATOM 4828 C C . PHE D 3 56 ? -30.58216 -40.32146 45.10833 1.000 22.18013 ? 55 PHE I C 1 ATOM 4829 O O . PHE D 3 56 ? -30.88689 -39.23252 45.59484 1.000 24.37646 ? 55 PHE I O 1 ATOM 4830 C CB . PHE D 3 56 ? -30.16292 -39.55867 42.80136 1.000 23.89140 ? 55 PHE I CB 1 ATOM 4831 C CG . PHE D 3 56 ? -29.20591 -39.28432 41.67824 1.000 24.37941 ? 55 PHE I CG 1 ATOM 4832 C CD1 . PHE D 3 56 ? -28.04814 -38.59517 41.89562 1.000 27.87032 ? 55 PHE I CD1 1 ATOM 4833 C CD2 . PHE D 3 56 ? -29.49866 -39.70692 40.40334 1.000 25.15434 ? 55 PHE I CD2 1 ATOM 4834 C CE1 . PHE D 3 56 ? -27.17382 -38.34667 40.86643 1.000 27.41791 ? 55 PHE I CE1 1 ATOM 4835 C CE2 . PHE D 3 56 ? -28.62689 -39.46668 39.37647 1.000 25.65351 ? 55 PHE I CE2 1 ATOM 4836 C CZ . PHE D 3 56 ? -27.47905 -38.78107 39.59502 1.000 25.73746 ? 55 PHE I CZ 1 ATOM 4837 H H . PHE D 3 56 ? -29.79608 -42.10428 43.09222 1.000 26.86570 ? 55 PHE I H 1 ATOM 4838 H HA . PHE D 3 56 ? -28.74157 -39.93062 44.25545 1.000 25.75538 ? 55 PHE I HA 1 ATOM 4839 H HB2 . PHE D 3 56 ? -30.90867 -40.05823 42.43366 1.000 28.66645 ? 55 PHE I HB2 1 ATOM 4840 H HB3 . PHE D 3 56 ? -30.47079 -38.70261 43.13792 1.000 28.66645 ? 55 PHE I HB3 1 ATOM 4841 H HD1 . PHE D 3 56 ? -27.84894 -38.29015 42.75129 1.000 33.44115 ? 55 PHE I HD1 1 ATOM 4842 H HD2 . PHE D 3 56 ? -30.29433 -40.15900 40.23772 1.000 30.18198 ? 55 PHE I HD2 1 ATOM 4843 H HE1 . PHE D 3 56 ? -26.38073 -37.88810 41.02652 1.000 32.89827 ? 55 PHE I HE1 1 ATOM 4844 H HE2 . PHE D 3 56 ? -28.82382 -39.77641 38.52196 1.000 30.78098 ? 55 PHE I HE2 1 ATOM 4845 H HZ . PHE D 3 56 ? -26.89937 -38.60431 38.88959 1.000 30.88172 ? 55 PHE I HZ 1 ATOM 4846 N N . GLY D 3 57 ? -31.14304 -41.46189 45.48919 1.000 22.52823 ? 56 GLY I N 1 ATOM 4847 C CA . GLY D 3 57 ? -32.18610 -41.48843 46.49701 1.000 26.00419 ? 56 GLY I CA 1 ATOM 4848 C C . GLY D 3 57 ? -33.39819 -40.67143 46.11947 1.000 28.28881 ? 56 GLY I C 1 ATOM 4849 O O . GLY D 3 57 ? -34.04335 -40.08411 46.99053 1.000 31.80729 ? 56 GLY I O 1 ATOM 4850 H H . GLY D 3 57 ? -30.93538 -42.23588 45.17708 1.000 27.03065 ? 56 GLY I H 1 ATOM 4851 H HA2 . GLY D 3 57 ? -32.47033 -42.40543 46.63569 1.000 31.20180 ? 56 GLY I HA2 1 ATOM 4852 H HA3 . GLY D 3 57 ? -31.83223 -41.13816 47.32947 1.000 31.20180 ? 56 GLY I HA3 1 ATOM 4853 N N . THR D 3 58 ? -33.72659 -40.61494 44.84564 1.000 28.95587 ? 57 THR I N 1 ATOM 4854 C CA . THR D 3 58 ? -34.86709 -39.82508 44.40567 1.000 33.47537 ? 57 THR I CA 1 ATOM 4855 C C . THR D 3 58 ? -35.74393 -40.65471 43.49053 1.000 28.18214 ? 57 THR I C 1 ATOM 4856 O O . THR D 3 58 ? -35.25359 -41.48017 42.71823 1.000 30.05211 ? 57 THR I O 1 ATOM 4857 C CB . THR D 3 58 ? -34.43049 -38.50027 43.72797 1.000 39.41487 ? 57 THR I CB 1 ATOM 4858 O OG1 . THR D 3 58 ? -33.65526 -38.75853 42.55517 1.000 40.98896 ? 57 THR I OG1 1 ATOM 4859 C CG2 . THR D 3 58 ? -33.60204 -37.67085 44.69680 1.000 45.95438 ? 57 THR I CG2 1 ATOM 4860 H H . THR D 3 58 ? -33.30772 -41.02308 44.21511 1.000 34.74382 ? 57 THR I H 1 ATOM 4861 H HA . THR D 3 58 ? -35.40640 -39.58073 45.17401 1.000 40.16721 ? 57 THR I HA 1 ATOM 4862 H HB . THR D 3 58 ? -35.22270 -38.00271 43.47158 1.000 47.29462 ? 57 THR I HB 1 ATOM 4863 H HG1 . THR D 3 58 ? -33.42846 -38.03414 42.19542 1.000 49.18353 ? 57 THR I HG1 1 ATOM 4864 H HG21 . THR D 3 58 ? -33.31345 -36.84999 44.26806 1.000 55.14202 ? 57 THR I HG21 1 ATOM 4865 H HG22 . THR D 3 58 ? -34.13060 -37.44841 45.47912 1.000 55.14202 ? 57 THR I HG22 1 ATOM 4866 H HG23 . THR D 3 58 ? -32.81989 -38.17135 44.97723 1.000 55.14202 ? 57 THR I HG23 1 ATOM 4867 N N . ALA D 3 59 ? -37.04767 -40.47243 43.63150 1.000 26.84019 ? 58 ALA I N 1 ATOM 4868 C CA . ALA D 3 59 ? -38.00386 -41.05032 42.70540 1.000 22.79187 ? 58 ALA I CA 1 ATOM 4869 C C . ALA D 3 59 ? -38.56726 -39.94712 41.83392 1.000 20.75989 ? 58 ALA I C 1 ATOM 4870 O O . ALA D 3 59 ? -38.68946 -38.79807 42.25335 1.000 22.25028 ? 58 ALA I O 1 ATOM 4871 C CB . ALA D 3 59 ? -39.15102 -41.75736 43.44398 1.000 24.05938 ? 58 ALA I CB 1 ATOM 4872 H H . ALA D 3 59 ? -37.40535 -40.01212 44.26379 1.000 32.20500 ? 58 ALA I H 1 ATOM 4873 H HA . ALA D 3 59 ? -37.56394 -41.71103 42.14788 1.000 27.34701 ? 58 ALA I HA 1 ATOM 4874 H HB1 . ALA D 3 59 ? -39.70988 -42.21401 42.79587 1.000 28.86803 ? 58 ALA I HB1 1 ATOM 4875 H HB2 . ALA D 3 59 ? -38.77689 -42.39862 44.06826 1.000 28.86803 ? 58 ALA I HB2 1 ATOM 4876 H HB3 . ALA D 3 59 ? -39.67355 -41.09537 43.92318 1.000 28.86803 ? 58 ALA I HB3 1 ATOM 4877 N N . ASN D 3 60 ? -38.86927 -40.31390 40.59647 1.000 21.89220 ? 59 ASN I N 1 ATOM 4878 C CA . ASN D 3 60 ? -39.48766 -39.43934 39.61836 1.000 23.45393 ? 59 ASN I CA 1 ATOM 4879 C C . ASN D 3 60 ? -40.86793 -40.01164 39.33397 1.000 21.71452 ? 59 ASN I C 1 ATOM 4880 O O . ASN D 3 60 ? -40.99253 -41.20507 39.03916 1.000 22.64714 ? 59 ASN I O 1 ATOM 4881 C CB . ASN D 3 60 ? -38.67109 -39.45574 38.31875 1.000 25.45199 ? 59 ASN I CB 1 ATOM 4882 C CG . ASN D 3 60 ? -37.18829 -39.23463 38.56535 1.000 26.90254 ? 59 ASN I CG 1 ATOM 4883 O OD1 . ASN D 3 60 ? -36.39229 -40.17046 38.54430 1.000 26.87768 ? 59 ASN I OD1 1 ATOM 4884 N ND2 . ASN D 3 60 ? -36.81502 -37.97823 38.81751 1.000 30.09880 ? 59 ASN I ND2 1 ATOM 4885 H H . ASN D 3 60 ? -38.71734 -41.10218 40.28805 1.000 26.26741 ? 59 ASN I H 1 ATOM 4886 H HA . ASN D 3 60 ? -39.55179 -38.52821 39.94491 1.000 28.14149 ? 59 ASN I HA 1 ATOM 4887 H HB2 . ASN D 3 60 ? -38.77981 -40.31709 37.88612 1.000 30.53916 ? 59 ASN I HB2 1 ATOM 4888 H HB3 . ASN D 3 60 ? -38.98854 -38.74895 37.73517 1.000 30.53916 ? 59 ASN I HB3 1 ATOM 4889 H HD21 . ASN D 3 60 ? -37.40223 -37.35011 38.83315 1.000 36.11533 ? 59 ASN I HD21 1 ATOM 4890 H HD22 . ASN D 3 60 ? -35.98729 -37.79682 38.96434 1.000 36.11533 ? 59 ASN I HD22 1 ATOM 4891 N N . TYR D 3 61 ? -41.89521 -39.17827 39.40789 1.000 21.26650 ? 60 TYR I N 1 ATOM 4892 C CA . TYR D 3 61 ? -43.25310 -39.65800 39.24765 1.000 20.89662 ? 60 TYR I CA 1 ATOM 4893 C C . TYR D 3 61 ? -43.94754 -39.07852 38.02963 1.000 22.03875 ? 60 TYR I C 1 ATOM 4894 O O . TYR D 3 61 ? -43.68385 -37.94868 37.61316 1.000 23.18022 ? 60 TYR I O 1 ATOM 4895 C CB . TYR D 3 61 ? -44.08629 -39.29363 40.46175 1.000 21.92623 ? 60 TYR I CB 1 ATOM 4896 C CG . TYR D 3 61 ? -43.66347 -40.04768 41.68123 1.000 22.03519 ? 60 TYR I CG 1 ATOM 4897 C CD1 . TYR D 3 61 ? -43.95370 -41.38911 41.80976 1.000 21.83546 ? 60 TYR I CD1 1 ATOM 4898 C CD2 . TYR D 3 61 ? -42.95057 -39.42440 42.67303 1.000 21.57857 ? 60 TYR I CD2 1 ATOM 4899 C CE1 . TYR D 3 61 ? -43.55638 -42.08919 42.90372 1.000 22.14212 ? 60 TYR I CE1 1 ATOM 4900 C CE2 . TYR D 3 61 ? -42.55390 -40.10986 43.79500 1.000 21.08272 ? 60 TYR I CE2 1 ATOM 4901 C CZ . TYR D 3 61 ? -42.85731 -41.44438 43.89834 1.000 20.56856 ? 60 TYR I CZ 1 ATOM 4902 O OH . TYR D 3 61 ? -42.45022 -42.15557 45.00428 1.000 22.31211 ? 60 TYR I OH 1 ATOM 4903 H H . TYR D 3 61 ? -41.82791 -38.33275 39.54988 1.000 25.51658 ? 60 TYR I H 1 ATOM 4904 H HA . TYR D 3 61 ? -43.20565 -40.61879 39.12301 1.000 25.07271 ? 60 TYR I HA 1 ATOM 4905 H HB2 . TYR D 3 61 ? -43.98792 -38.34567 40.64232 1.000 26.30824 ? 60 TYR I HB2 1 ATOM 4906 H HB3 . TYR D 3 61 ? -45.01660 -39.50262 40.28360 1.000 26.30824 ? 60 TYR I HB3 1 ATOM 4907 H HD1 . TYR D 3 61 ? -44.42879 -41.82133 41.13717 1.000 26.19932 ? 60 TYR I HD1 1 ATOM 4908 H HD2 . TYR D 3 61 ? -42.73258 -38.52464 42.58462 1.000 25.89106 ? 60 TYR I HD2 1 ATOM 4909 H HE1 . TYR D 3 61 ? -43.75463 -42.99462 42.97980 1.000 26.56732 ? 60 TYR I HE1 1 ATOM 4910 H HE2 . TYR D 3 61 ? -42.08755 -39.67706 44.47331 1.000 25.29603 ? 60 TYR I HE2 1 ATOM 4911 H HH . TYR D 3 61 ? -41.67954 -41.91304 45.23413 1.000 26.77130 ? 60 TYR I HH 1 ATOM 4912 N N . ALA D 3 62 ? -44.87126 -39.87021 37.48996 1.000 21.04964 ? 61 ALA I N 1 ATOM 4913 C CA . ALA D 3 62 ? -45.84186 -39.36337 36.53411 1.000 21.56614 ? 61 ALA I CA 1 ATOM 4914 C C . ALA D 3 62 ? -46.90903 -38.57274 37.27339 1.000 22.60390 ? 61 ALA I C 1 ATOM 4915 O O . ALA D 3 62 ? -47.38145 -38.98931 38.33965 1.000 23.61263 ? 61 ALA I O 1 ATOM 4916 C CB . ALA D 3 62 ? -46.50192 -40.51790 35.78995 1.000 21.17219 ? 61 ALA I CB 1 ATOM 4917 H H . ALA D 3 62 ? -44.95465 -40.70830 37.66388 1.000 25.25634 ? 61 ALA I H 1 ATOM 4918 H HA . ALA D 3 62 ? -45.40170 -38.79076 35.88659 1.000 25.87613 ? 61 ALA I HA 1 ATOM 4919 H HB1 . ALA D 3 62 ? -47.20222 -40.16599 35.21843 1.000 25.40340 ? 61 ALA I HB1 1 ATOM 4920 H HB2 . ALA D 3 62 ? -45.83315 -40.97095 35.25293 1.000 25.40340 ? 61 ALA I HB2 1 ATOM 4921 H HB3 . ALA D 3 62 ? -46.88073 -41.13450 36.43586 1.000 25.40340 ? 61 ALA I HB3 1 ATOM 4922 N N . GLN D 3 63 ? -47.29430 -37.43169 36.69748 1.000 26.39934 ? 62 GLN I N 1 ATOM 4923 C CA . GLN D 3 63 ? -48.26816 -36.57161 37.35992 1.000 33.70623 ? 62 GLN I CA 1 ATOM 4924 C C . GLN D 3 63 ? -49.55668 -37.32261 37.66372 1.000 28.75421 ? 62 GLN I C 1 ATOM 4925 O O . GLN D 3 63 ? -50.24134 -37.02436 38.65482 1.000 28.77898 ? 62 GLN I O 1 ATOM 4926 C CB . GLN D 3 63 ? -48.56361 -35.37094 36.47531 1.000 48.90714 ? 62 GLN I CB 1 ATOM 4927 C CG . GLN D 3 63 ? -49.36868 -34.29996 37.16369 1.000 64.90072 ? 62 GLN I CG 1 ATOM 4928 C CD . GLN D 3 63 ? -48.49829 -33.31754 37.92011 1.000 81.31050 ? 62 GLN I CD 1 ATOM 4929 O OE1 . GLN D 3 63 ? -48.23130 -33.48858 39.11005 1.000 83.84429 ? 62 GLN I OE1 1 ATOM 4930 N NE2 . GLN D 3 63 ? -48.06141 -32.26858 37.23130 1.000 81.36706 ? 62 GLN I NE2 1 ATOM 4931 H H . GLN D 3 63 ? -47.01168 -37.14043 35.93926 1.000 31.67598 ? 62 GLN I H 1 ATOM 4932 H HA . GLN D 3 63 ? -47.89752 -36.25660 38.19914 1.000 40.44425 ? 62 GLN I HA 1 ATOM 4933 H HB2 . GLN D 3 63 ? -47.72365 -34.97612 36.19339 1.000 58.68534 ? 62 GLN I HB2 1 ATOM 4934 H HB3 . GLN D 3 63 ? -49.06638 -35.66913 35.70123 1.000 58.68534 ? 62 GLN I HB3 1 ATOM 4935 H HG2 . GLN D 3 63 ? -49.87302 -33.80557 36.49877 1.000 77.87764 ? 62 GLN I HG2 1 ATOM 4936 H HG3 . GLN D 3 63 ? -49.97388 -34.71604 37.79734 1.000 77.87764 ? 62 GLN I HG3 1 ATOM 4937 H HE21 . GLN D 3 63 ? -48.27641 -32.17787 36.40357 1.000 97.63724 ? 62 GLN I HE21 1 ATOM 4938 H HE22 . GLN D 3 63 ? -47.56365 -31.68040 37.61323 1.000 97.63724 ? 62 GLN I HE22 1 ATOM 4939 N N . LYS D 3 64 ? -49.88452 -38.31808 36.84714 1.000 28.71374 ? 63 LYS I N 1 ATOM 4940 C CA . LYS D 3 64 ? -51.16164 -39.01436 36.97120 1.000 28.09130 ? 63 LYS I CA 1 ATOM 4941 C C . LYS D 3 64 ? -51.26061 -39.79610 38.27292 1.000 28.45028 ? 63 LYS I C 1 ATOM 4942 O O . LYS D 3 64 ? -52.36688 -39.98795 38.78368 1.000 29.63089 ? 63 LYS I O 1 ATOM 4943 C CB . LYS D 3 64 ? -51.33876 -39.93614 35.75011 1.000 31.16368 ? 63 LYS I CB 1 ATOM 4944 C CG . LYS D 3 64 ? -52.49985 -40.89086 35.84359 1.000 33.88665 ? 63 LYS I CG 1 ATOM 4945 C CD . LYS D 3 64 ? -52.85859 -41.45595 34.47368 1.000 36.48518 ? 63 LYS I CD 1 ATOM 4946 C CE . LYS D 3 64 ? -53.93184 -42.52990 34.59341 1.000 40.40396 ? 63 LYS I CE 1 ATOM 4947 N NZ . LYS D 3 64 ? -54.33094 -43.08078 33.26914 1.000 41.28536 ? 63 LYS I NZ 1 ATOM 4948 H H . LYS D 3 64 ? -49.38575 -38.61181 36.21110 1.000 34.45326 ? 63 LYS I H 1 ATOM 4949 H HA . LYS D 3 64 ? -51.88791 -38.37143 36.97952 1.000 33.70633 ? 63 LYS I HA 1 ATOM 4950 H HB2 . LYS D 3 64 ? -51.47759 -39.38377 34.96493 1.000 37.39318 ? 63 LYS I HB2 1 ATOM 4951 H HB3 . LYS D 3 64 ? -50.53305 -40.46591 35.64481 1.000 37.39318 ? 63 LYS I HB3 1 ATOM 4952 H HG2 . LYS D 3 64 ? -52.26458 -41.62889 36.42742 1.000 40.66075 ? 63 LYS I HG2 1 ATOM 4953 H HG3 . LYS D 3 64 ? -53.27415 -40.42388 36.19473 1.000 40.66075 ? 63 LYS I HG3 1 ATOM 4954 H HD2 . LYS D 3 64 ? -53.19764 -40.74414 33.90864 1.000 43.77898 ? 63 LYS I HD2 1 ATOM 4955 H HD3 . LYS D 3 64 ? -52.07043 -41.85254 34.07068 1.000 43.77898 ? 63 LYS I HD3 1 ATOM 4956 H HE2 . LYS D 3 64 ? -53.59195 -43.26022 35.13378 1.000 48.48152 ? 63 LYS I HE2 1 ATOM 4957 H HE3 . LYS D 3 64 ? -54.71949 -42.14717 35.01057 1.000 48.48152 ? 63 LYS I HE3 1 ATOM 4958 H HZ1 . LYS D 3 64 ? -54.11974 -42.50532 32.62390 1.000 49.53920 ? 63 LYS I HZ1 1 ATOM 4959 H HZ2 . LYS D 3 64 ? -53.90887 -43.84995 33.11970 1.000 49.53920 ? 63 LYS I HZ2 1 ATOM 4960 H HZ3 . LYS D 3 64 ? -55.20900 -43.22497 33.25154 1.000 49.53920 ? 63 LYS I HZ3 1 ATOM 4961 N N . PHE D 3 65 ? -50.13106 -40.22487 38.83328 1.000 26.13546 ? 64 PHE I N 1 ATOM 4962 C CA . PHE D 3 65 ? -50.10062 -41.06710 40.02234 1.000 27.27487 ? 64 PHE I CA 1 ATOM 4963 C C . PHE D 3 65 ? -49.43728 -40.38655 41.19991 1.000 28.61589 ? 64 PHE I C 1 ATOM 4964 O O . PHE D 3 65 ? -49.40988 -40.96875 42.30390 1.000 27.28980 ? 64 PHE I O 1 ATOM 4965 C CB . PHE D 3 65 ? -49.35730 -42.36218 39.70404 1.000 28.21873 ? 64 PHE I CB 1 ATOM 4966 C CG . PHE D 3 65 ? -49.98852 -43.12706 38.59768 1.000 27.64625 ? 64 PHE I CG 1 ATOM 4967 C CD1 . PHE D 3 65 ? -51.13696 -43.85014 38.83442 1.000 28.96733 ? 64 PHE I CD1 1 ATOM 4968 C CD2 . PHE D 3 65 ? -49.46659 -43.09304 37.31698 1.000 26.80777 ? 64 PHE I CD2 1 ATOM 4969 C CE1 . PHE D 3 65 ? -51.75350 -44.53411 37.82919 1.000 28.67856 ? 64 PHE I CE1 1 ATOM 4970 C CE2 . PHE D 3 65 ? -50.07346 -43.78710 36.29706 1.000 27.94312 ? 64 PHE I CE2 1 ATOM 4971 C CZ . PHE D 3 65 ? -51.22168 -44.51402 36.56147 1.000 28.89477 ? 64 PHE I CZ 1 ATOM 4972 H H . PHE D 3 65 ? -49.34804 -40.03462 38.53280 1.000 31.35933 ? 64 PHE I H 1 ATOM 4973 H HA . PHE D 3 65 ? -51.00951 -41.28784 40.27944 1.000 32.72661 ? 64 PHE I HA 1 ATOM 4974 H HB2 . PHE D 3 65 ? -48.44821 -42.14863 39.44163 1.000 33.85925 ? 64 PHE I HB2 1 ATOM 4975 H HB3 . PHE D 3 65 ? -49.35103 -42.92541 40.49375 1.000 33.85925 ? 64 PHE I HB3 1 ATOM 4976 H HD1 . PHE D 3 65 ? -51.49659 -43.87199 39.69180 1.000 34.75757 ? 64 PHE I HD1 1 ATOM 4977 H HD2 . PHE D 3 65 ? -48.69919 -42.59679 37.14456 1.000 32.16610 ? 64 PHE I HD2 1 ATOM 4978 H HE1 . PHE D 3 65 ? -52.53199 -45.01317 38.00052 1.000 34.41104 ? 64 PHE I HE1 1 ATOM 4979 H HE2 . PHE D 3 65 ? -49.71641 -43.76848 35.43853 1.000 33.52851 ? 64 PHE I HE2 1 ATOM 4980 H HZ . PHE D 3 65 ? -51.63516 -44.99091 35.87846 1.000 34.67050 ? 64 PHE I HZ 1 ATOM 4981 N N A GLN D 3 66 ? -48.97346 -39.15063 41.00231 0.804 28.48105 ? 65 GLN I N 1 ATOM 4982 N N B GLN D 3 66 ? -48.88290 -39.18902 41.01161 0.196 29.65793 ? 65 GLN I N 1 ATOM 4983 C CA A GLN D 3 66 ? -48.28298 -38.39560 42.03611 0.804 30.35546 ? 65 GLN I CA 1 ATOM 4984 C CA B GLN D 3 66 ? -48.07657 -38.56331 42.05502 0.196 30.47211 ? 65 GLN I CA 1 ATOM 4985 C C A GLN D 3 66 ? -49.16268 -38.27007 43.26720 0.804 28.75787 ? 65 GLN I C 1 ATOM 4986 C C B GLN D 3 66 ? -48.69848 -38.72775 43.43808 0.196 29.04506 ? 65 GLN I C 1 ATOM 4987 O O A GLN D 3 66 ? -50.29848 -37.79278 43.19118 0.804 28.82020 ? 65 GLN I O 1 ATOM 4988 O O B GLN D 3 66 ? -48.06333 -39.25007 44.35947 0.196 29.23807 ? 65 GLN I O 1 ATOM 4989 C CB A GLN D 3 66 ? -47.94780 -37.00414 41.50147 0.804 35.67083 ? 65 GLN I CB 1 ATOM 4990 C CB B GLN D 3 66 ? -47.88461 -37.08285 41.71986 0.196 34.26918 ? 65 GLN I CB 1 ATOM 4991 C CG A GLN D 3 66 ? -47.51505 -36.00523 42.56346 0.804 39.60557 ? 65 GLN I CG 1 ATOM 4992 C CG B GLN D 3 66 ? -47.05848 -36.29050 42.72231 0.196 36.54345 ? 65 GLN I CG 1 ATOM 4993 C CD A GLN D 3 66 ? -46.07076 -36.19688 43.00210 0.804 44.54366 ? 65 GLN I CD 1 ATOM 4994 C CD B GLN D 3 66 ? -45.58270 -36.64061 42.68307 0.196 38.88958 ? 65 GLN I CD 1 ATOM 4995 O OE1 A GLN D 3 66 ? -45.15388 -36.23368 42.17951 0.804 44.37273 ? 65 GLN I OE1 1 ATOM 4996 O OE1 B GLN D 3 66 ? -45.05717 -37.25069 43.61548 0.196 40.24689 ? 65 GLN I OE1 1 ATOM 4997 N NE2 A GLN D 3 66 ? -45.86462 -36.31879 44.31326 0.804 45.47713 ? 65 GLN I NE2 1 ATOM 4998 N NE2 B GLN D 3 66 ? -44.90413 -36.24748 41.61098 0.196 40.94118 ? 65 GLN I NE2 1 ATOM 4999 H H A GLN D 3 66 ? -49.04952 -38.72125 40.26106 0.804 34.17403 ? 65 GLN I H 1 ATOM 5000 H H B GLN D 3 66 ? -48.95846 -38.72202 40.29342 0.196 35.58628 ? 65 GLN I H 1 ATOM 5001 H HA A GLN D 3 66 ? -47.46258 -38.84950 42.28475 0.804 36.42332 ? 65 GLN I HA 1 ATOM 5002 H HA B GLN D 3 66 ? -47.20694 -38.99236 42.07847 0.196 36.56330 ? 65 GLN I HA 1 ATOM 5003 H HB2 A GLN D 3 66 ? -47.22189 -37.08547 40.86323 0.804 42.80176 ? 65 GLN I HB2 1 ATOM 5004 H HB2 B GLN D 3 66 ? -47.43723 -37.01923 40.86155 0.196 41.11978 ? 65 GLN I HB2 1 ATOM 5005 H HB3 A GLN D 3 66 ? -48.73511 -36.64369 41.06430 0.804 42.80176 ? 65 GLN I HB3 1 ATOM 5006 H HB3 B GLN D 3 66 ? -48.75850 -36.66482 41.67028 0.196 41.11978 ? 65 GLN I HB3 1 ATOM 5007 H HG2 A GLN D 3 66 ? -47.60310 -35.10744 42.20692 0.804 47.52345 ? 65 GLN I HG2 1 ATOM 5008 H HG2 B GLN D 3 66 ? -47.14659 -35.34473 42.52569 0.196 43.84891 ? 65 GLN I HG2 1 ATOM 5009 H HG3 A GLN D 3 66 ? -48.08139 -36.10920 43.34407 0.804 47.52345 ? 65 GLN I HG3 1 ATOM 5010 H HG3 B GLN D 3 66 ? -47.38581 -36.47535 43.61651 0.196 43.84891 ? 65 GLN I HG3 1 ATOM 5011 H HE21 A GLN D 3 66 ? -46.52946 -36.28710 44.85785 0.804 54.56932 ? 65 GLN I HE21 1 ATOM 5012 H HE21 B GLN D 3 66 ? -45.30399 -35.81692 40.98302 0.196 49.12618 ? 65 GLN I HE21 1 ATOM 5013 H HE22 A GLN D 3 66 ? -45.06676 -36.42914 44.61468 0.804 54.56932 ? 65 GLN I HE22 1 ATOM 5014 H HE22 B GLN D 3 66 ? -44.06495 -36.42352 41.54481 0.196 49.12618 ? 65 GLN I HE22 1 ATOM 5015 N N A GLY D 3 67 ? -48.61801 -38.66713 44.41112 0.804 24.87336 ? 66 GLY I N 1 ATOM 5016 N N B GLY D 3 67 ? -49.95304 -38.31840 43.59257 0.196 27.82791 ? 66 GLY I N 1 ATOM 5017 C CA A GLY D 3 67 ? -49.31084 -38.54158 45.66559 0.804 25.62853 ? 66 GLY I CA 1 ATOM 5018 C CA B GLY D 3 67 ? -50.56401 -38.25625 44.90430 0.196 27.97341 ? 66 GLY I CA 1 ATOM 5019 C C A GLY D 3 67 ? -50.13193 -39.74968 46.05247 0.804 24.90067 ? 66 GLY I C 1 ATOM 5020 C C B GLY D 3 67 ? -50.96908 -39.57977 45.51932 0.196 27.89332 ? 66 GLY I C 1 ATOM 5021 O O A GLY D 3 67 ? -50.52882 -39.85979 47.20949 0.804 24.76415 ? 66 GLY I O 1 ATOM 5022 O O B GLY D 3 67 ? -51.55292 -39.58890 46.60434 0.196 27.35116 ? 66 GLY I O 1 ATOM 5023 H H A GLY D 3 67 ? -47.83513 -39.01683 44.47751 0.804 29.84480 ? 66 GLY I H 1 ATOM 5024 H H B GLY D 3 67 ? -50.46842 -38.07187 42.94976 0.196 33.39026 ? 66 GLY I H 1 ATOM 5025 H HA2 A GLY D 3 67 ? -48.65942 -38.38775 46.36765 0.804 30.75100 ? 66 GLY I HA2 1 ATOM 5026 H HA2 B GLY D 3 67 ? -49.93788 -37.83427 45.51322 0.196 33.56486 ? 66 GLY I HA2 1 ATOM 5027 H HA3 A GLY D 3 67 ? -49.90858 -37.77920 45.61684 0.804 30.75100 ? 66 GLY I HA3 1 ATOM 5028 H HA3 B GLY D 3 67 ? -51.36282 -37.70932 44.84360 0.196 33.56486 ? 66 GLY I HA3 1 ATOM 5029 N N A ARG D 3 68 ? -50.41806 -40.64636 45.11530 0.804 26.06326 ? 67 ARG I N 1 ATOM 5030 N N B ARG D 3 68 ? -50.68018 -40.70065 44.85982 0.196 26.47364 ? 67 ARG I N 1 ATOM 5031 C CA A ARG D 3 68 ? -51.05708 -41.91965 45.42642 0.804 28.80383 ? 67 ARG I CA 1 ATOM 5032 C CA B ARG D 3 68 ? -51.15824 -41.99372 45.35233 0.196 28.10379 ? 67 ARG I CA 1 ATOM 5033 C C A ARG D 3 68 ? -50.08560 -43.08858 45.39624 0.804 23.93247 ? 67 ARG I C 1 ATOM 5034 C C B ARG D 3 68 ? -50.12441 -43.10701 45.34685 0.196 24.57511 ? 67 ARG I C 1 ATOM 5035 O O A ARG D 3 68 ? -50.24637 -44.04237 46.16546 0.804 21.86579 ? 67 ARG I O 1 ATOM 5036 O O B ARG D 3 68 ? -50.26492 -44.04740 46.13620 0.196 24.33128 ? 67 ARG I O 1 ATOM 5037 C CB A ARG D 3 68 ? -52.12948 -42.25594 44.38238 0.804 36.08830 ? 67 ARG I CB 1 ATOM 5038 C CB B ARG D 3 68 ? -52.37612 -42.46682 44.54415 0.196 32.66599 ? 67 ARG I CB 1 ATOM 5039 C CG A ARG D 3 68 ? -53.52969 -41.74028 44.61367 0.804 42.79372 ? 67 ARG I CG 1 ATOM 5040 C CG B ARG D 3 68 ? -53.71693 -41.93982 45.03827 0.196 35.91531 ? 67 ARG I CG 1 ATOM 5041 C CD A ARG D 3 68 ? -54.55813 -42.77828 44.12653 0.804 35.78473 ? 67 ARG I CD 1 ATOM 5042 C CD B ARG D 3 68 ? -54.85996 -42.37340 44.11574 0.196 34.53767 ? 67 ARG I CD 1 ATOM 5043 N NE A ARG D 3 68 ? -54.40783 -43.18042 42.72842 0.804 29.44963 ? 67 ARG I NE 1 ATOM 5044 N NE B ARG D 3 68 ? -54.97499 -43.82425 43.99937 0.196 34.18947 ? 67 ARG I NE 1 ATOM 5045 C CZ A ARG D 3 68 ? -54.82534 -44.34473 42.24223 0.804 25.70157 ? 67 ARG I CZ 1 ATOM 5046 C CZ B ARG D 3 68 ? -54.65789 -44.51769 42.91292 0.196 32.52432 ? 67 ARG I CZ 1 ATOM 5047 N NH1 A ARG D 3 68 ? -55.33332 -45.27783 43.03074 0.804 24.40825 ? 67 ARG I NH1 1 ATOM 5048 N NH1 B ARG D 3 68 ? -54.23231 -43.92273 41.81108 0.196 33.13839 ? 67 ARG I NH1 1 ATOM 5049 N NH2 A ARG D 3 68 ? -54.73437 -44.57906 40.92648 0.804 24.43687 ? 67 ARG I NH2 1 ATOM 5050 N NH2 B ARG D 3 68 ? -54.77888 -45.84092 42.92899 0.196 33.08032 ? 67 ARG I NH2 1 ATOM 5051 H H A ARG D 3 68 ? -50.24942 -40.53920 44.27884 0.804 31.27268 ? 67 ARG I H 1 ATOM 5052 H H B ARG D 3 68 ? -50.21668 -40.73952 44.13645 0.196 31.76513 ? 67 ARG I H 1 ATOM 5053 H HA A ARG D 3 68 ? -51.46337 -41.83523 46.30318 0.804 34.56136 ? 67 ARG I HA 1 ATOM 5054 H HA B ARG D 3 68 ? -51.43874 -41.86837 46.27239 0.196 33.72132 ? 67 ARG I HA 1 ATOM 5055 H HB2 A ARG D 3 68 ? -51.83697 -41.89375 43.53141 0.804 43.30273 ? 67 ARG I HB2 1 ATOM 5056 H HB2 B ARG D 3 68 ? -52.26840 -42.17370 43.62579 0.196 39.19596 ? 67 ARG I HB2 1 ATOM 5057 H HB3 A ARG D 3 68 ? -52.19480 -43.22215 44.32685 0.804 43.30273 ? 67 ARG I HB3 1 ATOM 5058 H HB3 B ARG D 3 68 ? -52.41224 -43.43544 44.58117 0.196 39.19596 ? 67 ARG I HB3 1 ATOM 5059 H HG2 A ARG D 3 68 ? -53.66890 -41.58465 45.56093 0.804 51.34924 ? 67 ARG I HG2 1 ATOM 5060 H HG2 B ARG D 3 68 ? -53.89222 -42.28808 45.92646 0.196 43.09514 ? 67 ARG I HG2 1 ATOM 5061 H HG3 A ARG D 3 68 ? -53.66081 -40.91609 44.11927 0.804 51.34924 ? 67 ARG I HG3 1 ATOM 5062 H HG3 B ARG D 3 68 ? -53.69334 -40.97037 45.06073 0.196 43.09514 ? 67 ARG I HG3 1 ATOM 5063 H HD2 A ARG D 3 68 ? -54.47153 -43.57698 44.67012 0.804 42.93844 ? 67 ARG I HD2 1 ATOM 5064 H HD2 B ARG D 3 68 ? -55.69718 -42.03406 44.46904 0.196 41.44197 ? 67 ARG I HD2 1 ATOM 5065 H HD3 A ARG D 3 68 ? -55.44685 -42.40296 44.22758 0.804 42.93844 ? 67 ARG I HD3 1 ATOM 5066 H HD3 B ARG D 3 68 ? -54.70397 -42.01331 43.22867 0.196 41.44197 ? 67 ARG I HD3 1 ATOM 5067 H HE A ARG D 3 68 ? -54.02635 -42.63041 42.18845 0.804 35.33633 ? 67 ARG I HE 1 ATOM 5068 H HE B ARG D 3 68 ? -55.26810 -44.25904 44.68101 0.196 41.02413 ? 67 ARG I HE 1 ATOM 5069 H HH11 A ARG D 3 68 ? -55.59814 -46.02506 42.69740 0.804 29.28667 ? 67 ARG I HH11 1 ATOM 5070 H HH11 B ARG D 3 68 ? -54.03243 -44.39208 41.11872 0.196 39.76284 ? 67 ARG I HH11 1 ATOM 5071 H HH12 A ARG D 3 68 ? -55.39870 -45.13712 43.87663 0.804 29.28667 ? 67 ARG I HH12 1 ATOM 5072 H HH12 B ARG D 3 68 ? -54.15546 -43.06651 41.78695 0.196 39.76284 ? 67 ARG I HH12 1 ATOM 5073 H HH21 A ARG D 3 68 ? -54.40802 -43.97867 40.40435 0.804 29.32101 ? 67 ARG I HH21 1 ATOM 5074 H HH21 B ARG D 3 68 ? -54.57613 -46.29977 42.23046 0.196 39.69315 ? 67 ARG I HH21 1 ATOM 5075 H HH22 A ARG D 3 68 ? -55.00231 -45.32989 40.60390 0.804 29.32101 ? 67 ARG I HH22 1 ATOM 5076 H HH22 B ARG D 3 68 ? -55.05993 -46.23843 43.63793 0.196 39.69315 ? 67 ARG I HH22 1 ATOM 5077 N N . VAL D 3 69 ? -49.13372 -43.07169 44.48599 1.000 21.37589 ? 68 VAL I N 1 ATOM 5078 C CA . VAL D 3 69 ? -48.12520 -44.11319 44.40520 1.000 18.87004 ? 68 VAL I CA 1 ATOM 5079 C C . VAL D 3 69 ? -46.86146 -43.62982 45.09488 1.000 19.80958 ? 68 VAL I C 1 ATOM 5080 O O . VAL D 3 69 ? -46.53508 -42.44410 45.09105 1.000 20.35493 ? 68 VAL I O 1 ATOM 5081 C CB . VAL D 3 69 ? -47.84214 -44.48655 42.93623 1.000 18.82875 ? 68 VAL I CB 1 ATOM 5082 C CG1 . VAL D 3 69 ? -47.02981 -43.38739 42.25740 1.000 21.39718 ? 68 VAL I CG1 1 ATOM 5083 C CG2 . VAL D 3 69 ? -47.13163 -45.82930 42.85689 1.000 22.11145 ? 68 VAL I CG2 1 ATOM 5084 H H . VAL D 3 69 ? -49.04516 -42.45762 43.89045 1.000 25.64783 ? 68 VAL I H 1 ATOM 5085 H HA . VAL D 3 69 ? -48.44110 -44.90264 44.87197 1.000 22.64081 ? 68 VAL I HA 1 ATOM 5086 H HB . VAL D 3 69 ? -48.68259 -44.57053 42.45928 1.000 22.59127 ? 68 VAL I HB 1 ATOM 5087 H HG11 . VAL D 3 69 ? -47.05933 -43.52026 41.29700 1.000 25.67338 ? 68 VAL I HG11 1 ATOM 5088 H HG12 . VAL D 3 69 ? -47.41315 -42.52566 42.48405 1.000 25.67338 ? 68 VAL I HG12 1 ATOM 5089 H HG13 . VAL D 3 69 ? -46.11265 -43.43388 42.56972 1.000 25.67338 ? 68 VAL I HG13 1 ATOM 5090 H HG21 . VAL D 3 69 ? -47.04272 -46.08500 41.92543 1.000 26.53051 ? 68 VAL I HG21 1 ATOM 5091 H HG22 . VAL D 3 69 ? -46.25434 -45.74682 43.26245 1.000 26.53051 ? 68 VAL I HG22 1 ATOM 5092 H HG23 . VAL D 3 69 ? -47.65531 -46.49233 43.33338 1.000 26.53051 ? 68 VAL I HG23 1 ATOM 5093 N N . THR D 3 70 ? -46.13604 -44.56644 45.67533 1.000 21.20858 ? 69 THR I N 1 ATOM 5094 C CA . THR D 3 70 ? -44.81436 -44.31711 46.21439 1.000 20.06230 ? 69 THR I CA 1 ATOM 5095 C C . THR D 3 70 ? -43.91341 -45.40110 45.65858 1.000 19.17034 ? 69 THR I C 1 ATOM 5096 O O . THR D 3 70 ? -44.25514 -46.58007 45.73713 1.000 19.03641 ? 69 THR I O 1 ATOM 5097 C CB . THR D 3 70 ? -44.82008 -44.37045 47.74076 1.000 21.06224 ? 69 THR I CB 1 ATOM 5098 O OG1 . THR D 3 70 ? -45.69280 -43.35750 48.25374 1.000 22.45622 ? 69 THR I OG1 1 ATOM 5099 C CG2 . THR D 3 70 ? -43.42542 -44.15531 48.27104 1.000 23.30606 ? 69 THR I CG2 1 ATOM 5100 H H . THR D 3 70 ? -46.39617 -45.38043 45.77203 1.000 25.44706 ? 69 THR I H 1 ATOM 5101 H HA . THR D 3 70 ? -44.48842 -43.44154 45.95355 1.000 24.07153 ? 69 THR I HA 1 ATOM 5102 H HB . THR D 3 70 ? -45.13231 -45.23886 48.03956 1.000 25.27145 ? 69 THR I HB 1 ATOM 5103 H HG1 . THR D 3 70 ? -45.43424 -42.59981 47.99948 1.000 26.94423 ? 69 THR I HG1 1 ATOM 5104 H HG21 . THR D 3 70 ? -43.44487 -44.08939 49.23860 1.000 27.96405 ? 69 THR I HG21 1 ATOM 5105 H HG22 . THR D 3 70 ? -42.85580 -44.89839 48.01752 1.000 27.96405 ? 69 THR I HG22 1 ATOM 5106 H HG23 . THR D 3 70 ? -43.05481 -43.33612 47.90708 1.000 27.96405 ? 69 THR I HG23 1 ATOM 5107 N N . ILE D 3 71 ? -42.78745 -45.00127 45.06791 1.000 18.83672 ? 70 ILE I N 1 ATOM 5108 C CA . ILE D 3 71 ? -41.79765 -45.92501 44.53065 1.000 18.11338 ? 70 ILE I CA 1 ATOM 5109 C C . ILE D 3 71 ? -40.55351 -45.80837 45.39874 1.000 20.15773 ? 70 ILE I C 1 ATOM 5110 O O . ILE D 3 71 ? -40.06643 -44.69902 45.65491 1.000 22.05049 ? 70 ILE I O 1 ATOM 5111 C CB . ILE D 3 71 ? -41.49690 -45.62983 43.04894 1.000 20.46918 ? 70 ILE I CB 1 ATOM 5112 C CG1 . ILE D 3 71 ? -42.76014 -45.85915 42.22658 1.000 20.79391 ? 70 ILE I CG1 1 ATOM 5113 C CG2 . ILE D 3 71 ? -40.32835 -46.47468 42.54806 1.000 21.37693 ? 70 ILE I CG2 1 ATOM 5114 C CD1 . ILE D 3 71 ? -42.70352 -45.25781 40.82451 1.000 21.98883 ? 70 ILE I CD1 1 ATOM 5115 H H . ILE D 3 71 ? -42.57177 -44.17509 44.96536 1.000 22.60084 ? 70 ILE I H 1 ATOM 5116 H HA . ILE D 3 71 ? -42.12001 -46.83834 44.58367 1.000 21.73282 ? 70 ILE I HA 1 ATOM 5117 H HB . ILE D 3 71 ? -41.23080 -44.70189 42.95400 1.000 24.55979 ? 70 ILE I HB 1 ATOM 5118 H HG12 . ILE D 3 71 ? -42.90144 -46.81421 42.13287 1.000 24.94946 ? 70 ILE I HG12 1 ATOM 5119 H HG13 . ILE D 3 71 ? -43.51091 -45.45664 42.69051 1.000 24.94946 ? 70 ILE I HG13 1 ATOM 5120 H HG21 . ILE D 3 71 ? -40.20667 -46.31442 41.59916 1.000 25.64909 ? 70 ILE I HG21 1 ATOM 5121 H HG22 . ILE D 3 71 ? -39.52620 -46.22249 43.03164 1.000 25.64909 ? 70 ILE I HG22 1 ATOM 5122 H HG23 . ILE D 3 71 ? -40.52692 -47.41150 42.70251 1.000 25.64909 ? 70 ILE I HG23 1 ATOM 5123 H HD11 . ILE D 3 71 ? -43.60191 -45.21964 40.46074 1.000 26.38336 ? 70 ILE I HD11 1 ATOM 5124 H HD12 . ILE D 3 71 ? -42.33049 -44.36406 40.87904 1.000 26.38336 ? 70 ILE I HD12 1 ATOM 5125 H HD13 . ILE D 3 71 ? -42.14301 -45.81653 40.26365 1.000 26.38336 ? 70 ILE I HD13 1 ATOM 5126 N N . THR D 3 72 ? -40.04380 -46.95276 45.83420 1.000 22.25561 ? 71 THR I N 1 ATOM 5127 C CA . THR D 3 72 ? -38.88984 -47.00093 46.71436 1.000 23.23166 ? 71 THR I CA 1 ATOM 5128 C C . THR D 3 72 ? -37.96794 -48.10926 46.23715 1.000 24.15278 ? 71 THR I C 1 ATOM 5129 O O . THR D 3 72 ? -38.32857 -48.93129 45.38775 1.000 22.01693 ? 71 THR I O 1 ATOM 5130 C CB . THR D 3 72 ? -39.30771 -47.24303 48.17205 1.000 23.72071 ? 71 THR I CB 1 ATOM 5131 O OG1 . THR D 3 72 ? -40.11301 -48.42792 48.23435 1.000 23.16734 ? 71 THR I OG1 1 ATOM 5132 C CG2 . THR D 3 72 ? -40.09216 -46.05333 48.72468 1.000 24.26838 ? 71 THR I CG2 1 ATOM 5133 H H . THR D 3 72 ? -40.35569 -47.72751 45.62905 1.000 26.70350 ? 71 THR I H 1 ATOM 5134 H HA . THR D 3 72 ? -38.41188 -46.15795 46.67134 1.000 27.87476 ? 71 THR I HA 1 ATOM 5135 H HB . THR D 3 72 ? -38.51822 -47.35286 48.72481 1.000 28.46162 ? 71 THR I HB 1 ATOM 5136 H HG1 . THR D 3 72 ? -40.48154 -48.48558 48.98698 1.000 27.79758 ? 71 THR I HG1 1 ATOM 5137 H HG21 . THR D 3 72 ? -40.43894 -46.26492 49.60552 1.000 29.11882 ? 71 THR I HG21 1 ATOM 5138 H HG22 . THR D 3 72 ? -39.51416 -45.27726 48.79199 1.000 29.11882 ? 71 THR I HG22 1 ATOM 5139 H HG23 . THR D 3 72 ? -40.83420 -45.84312 48.13638 1.000 29.11882 ? 71 THR I HG23 1 ATOM 5140 N N . ALA D 3 73 ? -36.75822 -48.12113 46.78678 1.000 26.44345 ? 72 ALA I N 1 ATOM 5141 C CA . ALA D 3 73 ? -35.77586 -49.12766 46.41939 1.000 28.61501 ? 72 ALA I CA 1 ATOM 5142 C C . ALA D 3 73 ? -34.83921 -49.37657 47.58577 1.000 31.91263 ? 72 ALA I C 1 ATOM 5143 O O . ALA D 3 73 ? -34.36532 -48.43514 48.22638 1.000 33.03132 ? 72 ALA I O 1 ATOM 5144 C CB . ALA D 3 73 ? -34.96512 -48.69732 45.19644 1.000 29.88264 ? 72 ALA I CB 1 ATOM 5145 H H . ALA D 3 73 ? -36.48462 -47.55606 47.37452 1.000 31.72891 ? 72 ALA I H 1 ATOM 5146 H HA . ALA D 3 73 ? -36.23711 -49.95644 46.21623 1.000 34.33478 ? 72 ALA I HA 1 ATOM 5147 H HB1 . ALA D 3 73 ? -34.29019 -49.36930 45.01256 1.000 35.85593 ? 72 ALA I HB1 1 ATOM 5148 H HB2 . ALA D 3 73 ? -35.56168 -48.61106 44.43646 1.000 35.85593 ? 72 ALA I HB2 1 ATOM 5149 H HB3 . ALA D 3 73 ? -34.54116 -47.84496 45.38258 1.000 35.85593 ? 72 ALA I HB3 1 ATOM 5150 N N . ASP D 3 74 ? -34.55902 -50.64292 47.83655 1.000 34.82374 ? 73 ASP I N 1 ATOM 5151 C CA . ASP D 3 74 ? -33.68347 -51.06628 48.93058 1.000 42.82651 ? 73 ASP I CA 1 ATOM 5152 C C . ASP D 3 74 ? -32.44230 -51.69609 48.30506 1.000 42.32082 ? 73 ASP I C 1 ATOM 5153 O O . ASP D 3 74 ? -32.47846 -52.84053 47.84414 1.000 38.69781 ? 73 ASP I O 1 ATOM 5154 C CB . ASP D 3 74 ? -34.43061 -52.05819 49.81023 1.000 53.21942 ? 73 ASP I CB 1 ATOM 5155 C CG . ASP D 3 74 ? -33.58685 -52.58637 50.95029 1.000 65.14177 ? 73 ASP I CG 1 ATOM 5156 O OD1 . ASP D 3 74 ? -32.37187 -52.30371 50.98750 1.000 61.03932 ? 73 ASP I OD1 1 ATOM 5157 O OD2 . ASP D 3 74 ? -34.15389 -53.28301 51.81555 1.000 80.74233 -1 73 ASP I OD2 1 ATOM 5158 H H . ASP D 3 74 ? -34.87047 -51.29937 47.37648 1.000 41.78526 ? 73 ASP I H 1 ATOM 5159 H HA . ASP D 3 74 ? -33.40320 -50.30705 49.46529 1.000 51.38858 ? 73 ASP I HA 1 ATOM 5160 H HB2 . ASP D 3 74 ? -35.20741 -51.61947 50.19103 1.000 63.86007 ? 73 ASP I HB2 1 ATOM 5161 H HB3 . ASP D 3 74 ? -34.70839 -52.81340 49.26857 1.000 63.86007 ? 73 ASP I HB3 1 ATOM 5162 N N . GLU D 3 75 ? -31.34136 -50.94565 48.28889 1.000 44.78383 ? 74 GLU I N 1 ATOM 5163 C CA . GLU D 3 75 ? -30.08658 -51.50267 47.80115 1.000 50.97999 ? 74 GLU I CA 1 ATOM 5164 C C . GLU D 3 75 ? -29.70399 -52.77557 48.55531 1.000 51.72106 ? 74 GLU I C 1 ATOM 5165 O O . GLU D 3 75 ? -29.11085 -53.68930 47.97043 1.000 49.03590 ? 74 GLU I O 1 ATOM 5166 C CB . GLU D 3 75 ? -28.97239 -50.45524 47.91965 1.000 60.22125 ? 74 GLU I CB 1 ATOM 5167 C CG . GLU D 3 75 ? -29.29330 -49.08740 47.29543 1.000 69.90893 ? 74 GLU I CG 1 ATOM 5168 C CD . GLU D 3 75 ? -29.82966 -48.06915 48.29180 1.000 77.79561 ? 74 GLU I CD 1 ATOM 5169 O OE1 . GLU D 3 75 ? -30.92632 -48.28740 48.84554 1.000 80.87989 ? 74 GLU I OE1 1 ATOM 5170 O OE2 . GLU D 3 75 ? -29.16091 -47.03732 48.51449 1.000 85.11489 -1 74 GLU I OE2 1 ATOM 5171 H H . GLU D 3 75 ? -31.29670 -50.12746 48.55000 1.000 53.73737 ? 74 GLU I H 1 ATOM 5172 H HA . GLU D 3 75 ? -30.18536 -51.73175 46.86378 1.000 61.17275 ? 74 GLU I HA 1 ATOM 5173 H HB2 . GLU D 3 75 ? -28.78818 -50.30886 48.86068 1.000 72.26227 ? 74 GLU I HB2 1 ATOM 5174 H HB3 . GLU D 3 75 ? -28.18087 -50.79824 47.47608 1.000 72.26227 ? 74 GLU I HB3 1 ATOM 5175 H HG2 . GLU D 3 75 ? -28.48214 -48.72299 46.90796 1.000 83.88748 ? 74 GLU I HG2 1 ATOM 5176 H HG3 . GLU D 3 75 ? -29.96486 -49.20861 46.60608 1.000 83.88748 ? 74 GLU I HG3 1 ATOM 5177 N N . SER D 3 76 ? -30.04219 -52.86805 49.84568 1.000 51.04096 ? 75 SER I N 1 ATOM 5178 C CA . SER D 3 76 ? -29.57144 -54.00743 50.62939 1.000 52.41511 ? 75 SER I CA 1 ATOM 5179 C C . SER D 3 76 ? -30.11111 -55.33298 50.09471 1.000 48.45719 ? 75 SER I C 1 ATOM 5180 O O . SER D 3 76 ? -29.42639 -56.35891 50.19421 1.000 47.62221 ? 75 SER I O 1 ATOM 5181 C CB . SER D 3 76 ? -29.90113 -53.83660 52.11880 1.000 56.82903 ? 75 SER I CB 1 ATOM 5182 O OG . SER D 3 76 ? -31.21918 -54.25456 52.42098 1.000 58.53930 ? 75 SER I OG 1 ATOM 5183 H H . SER D 3 76 ? -30.52710 -52.30232 50.27512 1.000 61.24592 ? 75 SER I H 1 ATOM 5184 H HA . SER D 3 76 ? -28.60430 -54.03574 50.56044 1.000 62.89491 ? 75 SER I HA 1 ATOM 5185 H HB2 . SER D 3 76 ? -29.27892 -54.36933 52.63836 1.000 68.19160 ? 75 SER I HB2 1 ATOM 5186 H HB3 . SER D 3 76 ? -29.81068 -52.89941 52.35204 1.000 68.19160 ? 75 SER I HB3 1 ATOM 5187 H HG . SER D 3 76 ? -31.32023 -54.30709 53.25322 1.000 70.24393 ? 75 SER I HG 1 ATOM 5188 N N . THR D 3 77 ? -31.31631 -55.33997 49.51742 1.000 44.74973 ? 76 THR I N 1 ATOM 5189 C CA . THR D 3 77 ? -31.86922 -56.54508 48.90780 1.000 42.52401 ? 76 THR I CA 1 ATOM 5190 C C . THR D 3 77 ? -32.01567 -56.41721 47.39845 1.000 39.83652 ? 76 THR I C 1 ATOM 5191 O O . THR D 3 77 ? -32.65533 -57.27229 46.77391 1.000 38.26779 ? 76 THR I O 1 ATOM 5192 C CB . THR D 3 77 ? -33.22756 -56.90214 49.51777 1.000 42.07003 ? 76 THR I CB 1 ATOM 5193 O OG1 . THR D 3 77 ? -34.09897 -55.75873 49.46430 1.000 42.06349 ? 76 THR I OG1 1 ATOM 5194 C CG2 . THR D 3 77 ? -33.06157 -57.39559 50.94945 1.000 42.94796 ? 76 THR I CG2 1 ATOM 5195 H H . THR D 3 77 ? -31.83230 -54.65374 49.46796 1.000 53.69645 ? 76 THR I H 1 ATOM 5196 H HA . THR D 3 77 ? -31.25921 -57.27436 49.10000 1.000 51.02559 ? 76 THR I HA 1 ATOM 5197 H HB . THR D 3 77 ? -33.63738 -57.62163 49.01251 1.000 50.48081 ? 76 THR I HB 1 ATOM 5198 H HG1 . THR D 3 77 ? -34.80366 -55.91421 49.89422 1.000 50.47295 ? 76 THR I HG1 1 ATOM 5199 H HG21 . THR D 3 77 ? -33.92962 -57.59076 51.33584 1.000 51.53432 ? 76 THR I HG21 1 ATOM 5200 H HG22 . THR D 3 77 ? -32.52286 -58.20214 50.96201 1.000 51.53432 ? 76 THR I HG22 1 ATOM 5201 H HG23 . THR D 3 77 ? -32.62378 -56.71624 51.48585 1.000 51.53432 ? 76 THR I HG23 1 ATOM 5202 N N . SER D 3 78 ? -31.45353 -55.37137 46.80425 1.000 36.52338 ? 77 SER I N 1 ATOM 5203 C CA . SER D 3 78 ? -31.70140 -55.00928 45.40671 1.000 39.18812 ? 77 SER I CA 1 ATOM 5204 C C . SER D 3 78 ? -33.15628 -55.25414 45.01335 1.000 31.46855 ? 77 SER I C 1 ATOM 5205 O O . SER D 3 78 ? -33.45792 -55.92549 44.02380 1.000 28.12858 ? 77 SER I O 1 ATOM 5206 C CB . SER D 3 78 ? -30.75861 -55.74645 44.45985 1.000 46.38351 ? 77 SER I CB 1 ATOM 5207 O OG . SER D 3 78 ? -29.40255 -55.62342 44.88059 1.000 54.54808 ? 77 SER I OG 1 ATOM 5208 H H . SER D 3 78 ? -30.90724 -54.83750 47.19941 1.000 43.82483 ? 77 SER I H 1 ATOM 5209 H HA . SER D 3 78 ? -31.53034 -54.05801 45.32468 1.000 47.02252 ? 77 SER I HA 1 ATOM 5210 H HB2 . SER D 3 78 ? -30.99904 -56.68608 44.44593 1.000 55.65699 ? 77 SER I HB2 1 ATOM 5211 H HB3 . SER D 3 78 ? -30.84717 -55.36814 43.57107 1.000 55.65699 ? 77 SER I HB3 1 ATOM 5212 H HG . SER D 3 78 ? -28.90063 -56.05265 44.36152 1.000 65.45446 ? 77 SER I HG 1 ATOM 5213 N N . THR D 3 79 ? -34.06607 -54.67870 45.79955 1.000 28.79653 ? 78 THR I N 1 ATOM 5214 C CA . THR D 3 79 ? -35.49815 -54.79339 45.54989 1.000 28.17142 ? 78 THR I CA 1 ATOM 5215 C C . THR D 3 79 ? -36.11423 -53.40512 45.44063 1.000 26.90623 ? 78 THR I C 1 ATOM 5216 O O . THR D 3 79 ? -35.87102 -52.53827 46.28496 1.000 28.28479 ? 78 THR I O 1 ATOM 5217 C CB . THR D 3 79 ? -36.19437 -55.62323 46.63667 1.000 30.52901 ? 78 THR I CB 1 ATOM 5218 O OG1 . THR D 3 79 ? -35.58146 -56.91747 46.70350 1.000 32.13866 ? 78 THR I OG1 1 ATOM 5219 C CG2 . THR D 3 79 ? -37.67745 -55.79271 46.33500 1.000 30.72985 ? 78 THR I CG2 1 ATOM 5220 H H . THR D 3 79 ? -33.87225 -54.20986 46.49398 1.000 34.55261 ? 78 THR I H 1 ATOM 5221 H HA . THR D 3 79 ? -35.63925 -55.24329 44.70219 1.000 33.80248 ? 78 THR I HA 1 ATOM 5222 H HB . THR D 3 79 ? -36.11149 -55.16751 47.48893 1.000 36.63158 ? 78 THR I HB 1 ATOM 5223 H HG1 . THR D 3 79 ? -35.90874 -57.35784 47.33955 1.000 38.56316 ? 78 THR I HG1 1 ATOM 5224 H HG21 . THR D 3 79 ? -38.08851 -56.36435 47.00220 1.000 36.87259 ? 78 THR I HG21 1 ATOM 5225 H HG22 . THR D 3 79 ? -38.11891 -54.92905 46.34531 1.000 36.87259 ? 78 THR I HG22 1 ATOM 5226 H HG23 . THR D 3 79 ? -37.79418 -56.19549 45.46033 1.000 36.87259 ? 78 THR I HG23 1 ATOM 5227 N N . ALA D 3 80 ? -36.87778 -53.18916 44.37548 1.000 24.35438 ? 79 ALA I N 1 ATOM 5228 C CA . ALA D 3 80 ? -37.66915 -51.97969 44.21363 1.000 22.65412 ? 79 ALA I CA 1 ATOM 5229 C C . ALA D 3 80 ? -39.11891 -52.29521 44.53134 1.000 21.86547 ? 79 ALA I C 1 ATOM 5230 O O . ALA D 3 80 ? -39.55535 -53.44602 44.44872 1.000 23.60979 ? 79 ALA I O 1 ATOM 5231 C CB . ALA D 3 80 ? -37.56572 -51.43101 42.79519 1.000 22.33493 ? 79 ALA I CB 1 ATOM 5232 H H . ALA D 3 80 ? -36.95427 -53.74117 43.72047 1.000 29.22202 ? 79 ALA I H 1 ATOM 5233 H HA . ALA D 3 80 ? -37.34519 -51.29208 44.81624 1.000 27.18171 ? 79 ALA I HA 1 ATOM 5234 H HB1 . ALA D 3 80 ? -38.13963 -50.65314 42.71485 1.000 26.79868 ? 79 ALA I HB1 1 ATOM 5235 H HB2 . ALA D 3 80 ? -36.64484 -51.18224 42.61917 1.000 26.79868 ? 79 ALA I HB2 1 ATOM 5236 H HB3 . ALA D 3 80 ? -37.84843 -52.11663 42.16997 1.000 26.79868 ? 79 ALA I HB3 1 ATOM 5237 N N . TYR D 3 81 ? -39.86280 -51.25990 44.90318 1.000 21.41584 ? 80 TYR I N 1 ATOM 5238 C CA . TYR D 3 81 ? -41.24243 -51.44600 45.31605 1.000 20.47049 ? 80 TYR I CA 1 ATOM 5239 C C . TYR D 3 81 ? -42.11657 -50.35090 44.73158 1.000 20.06169 ? 80 TYR I C 1 ATOM 5240 O O . TYR D 3 81 ? -41.67867 -49.21588 44.53403 1.000 20.10540 ? 80 TYR I O 1 ATOM 5241 C CB . TYR D 3 81 ? -41.39298 -51.38295 46.86402 1.000 23.36280 ? 80 TYR I CB 1 ATOM 5242 C CG . TYR D 3 81 ? -40.59631 -52.41993 47.61477 1.000 25.54153 ? 80 TYR I CG 1 ATOM 5243 C CD1 . TYR D 3 81 ? -39.29796 -52.16247 48.02813 1.000 26.83672 ? 80 TYR I CD1 1 ATOM 5244 C CD2 . TYR D 3 81 ? -41.16248 -53.64655 47.93120 1.000 25.25100 ? 80 TYR I CD2 1 ATOM 5245 C CE1 . TYR D 3 81 ? -38.57287 -53.11745 48.74916 1.000 28.70705 ? 80 TYR I CE1 1 ATOM 5246 C CE2 . TYR D 3 81 ? -40.44370 -54.60731 48.61882 1.000 27.44999 ? 80 TYR I CE2 1 ATOM 5247 C CZ . TYR D 3 81 ? -39.16172 -54.33513 49.03304 1.000 29.49176 ? 80 TYR I CZ 1 ATOM 5248 O OH . TYR D 3 81 ? -38.45848 -55.29166 49.74016 1.000 31.71360 ? 80 TYR I OH 1 ATOM 5249 H H . TYR D 3 81 ? -39.58970 -50.44467 44.92374 1.000 25.69578 ? 80 TYR I H 1 ATOM 5250 H HA . TYR D 3 81 ? -41.54047 -52.30781 44.98535 1.000 24.56136 ? 80 TYR I HA 1 ATOM 5251 H HB2 . TYR D 3 81 ? -41.09705 -50.51050 47.16757 1.000 28.03213 ? 80 TYR I HB2 1 ATOM 5252 H HB3 . TYR D 3 81 ? -42.32760 -51.51297 47.08873 1.000 28.03213 ? 80 TYR I HB3 1 ATOM 5253 H HD1 . TYR D 3 81 ? -38.90435 -51.34507 47.82361 1.000 32.20084 ? 80 TYR I HD1 1 ATOM 5254 H HD2 . TYR D 3 81 ? -42.03898 -53.82540 47.67691 1.000 30.29796 ? 80 TYR I HD2 1 ATOM 5255 H HE1 . TYR D 3 81 ? -37.70636 -52.93528 49.03355 1.000 34.44523 ? 80 TYR I HE1 1 ATOM 5256 H HE2 . TYR D 3 81 ? -40.82663 -55.43513 48.80042 1.000 32.93676 ? 80 TYR I HE2 1 ATOM 5257 H HH . TYR D 3 81 ? -37.71248 -54.98490 49.97466 1.000 38.05309 ? 80 TYR I HH 1 ATOM 5258 N N A MET D 3 82 ? -43.38843 -50.69089 44.54146 0.500 19.70913 ? 81 MET I N 1 ATOM 5259 N N B MET D 3 82 ? -43.35538 -50.71789 44.44641 0.500 20.33366 ? 81 MET I N 1 ATOM 5260 C CA A MET D 3 82 ? -44.41644 -49.76235 44.08433 0.500 18.83924 ? 81 MET I CA 1 ATOM 5261 C CA B MET D 3 82 ? -44.40978 -49.77817 44.10721 0.500 20.62652 ? 81 MET I CA 1 ATOM 5262 C C A MET D 3 82 ? -45.60636 -49.93963 45.01553 0.500 19.13822 ? 81 MET I C 1 ATOM 5263 C C B MET D 3 82 ? -45.49801 -49.99222 45.14123 0.500 18.69708 ? 81 MET I C 1 ATOM 5264 O O A MET D 3 82 ? -46.24621 -50.99438 45.01622 0.500 21.07186 ? 81 MET I O 1 ATOM 5265 O O B MET D 3 82 ? -45.93329 -51.12679 45.35076 0.500 18.16697 ? 81 MET I O 1 ATOM 5266 C CB A MET D 3 82 ? -44.80319 -50.08735 42.64016 0.500 18.92324 ? 81 MET I CB 1 ATOM 5267 C CB B MET D 3 82 ? -44.95573 -50.07079 42.70881 0.500 22.82702 ? 81 MET I CB 1 ATOM 5268 C CG A MET D 3 82 ? -45.71766 -49.09237 41.96414 0.500 19.21399 ? 81 MET I CG 1 ATOM 5269 C CG B MET D 3 82 ? -45.94862 -49.04724 42.20089 0.500 25.04135 ? 81 MET I CG 1 ATOM 5270 S SD A MET D 3 82 ? -47.43233 -49.17612 42.51721 0.500 19.54560 ? 81 MET I SD 1 ATOM 5271 S SD B MET D 3 82 ? -47.06820 -49.75295 40.97791 0.500 26.97109 ? 81 MET I SD 1 ATOM 5272 C CE A MET D 3 82 ? -47.83760 -50.90660 42.27890 0.500 19.92932 ? 81 MET I CE 1 ATOM 5273 C CE B MET D 3 82 ? -48.08157 -50.80208 42.02302 0.500 27.11833 ? 81 MET I CE 1 ATOM 5274 H H A MET D 3 82 ? -43.69099 -51.48459 44.67599 0.500 23.64773 ? 81 MET I H 1 ATOM 5275 H H B MET D 3 82 ? -43.61889 -51.53652 44.44282 0.500 24.39716 ? 81 MET I H 1 ATOM 5276 H HA A MET D 3 82 ? -44.10148 -48.84565 44.12111 0.500 22.60386 ? 81 MET I HA 1 ATOM 5277 H HA B MET D 3 82 ? -44.08556 -48.86402 44.11811 0.500 24.74860 ? 81 MET I HA 1 ATOM 5278 H HB2 A MET D 3 82 ? -43.99116 -50.13632 42.11187 0.500 22.70466 ? 81 MET I HB2 1 ATOM 5279 H HB2 B MET D 3 82 ? -44.21317 -50.09447 42.08517 0.500 27.38919 ? 81 MET I HB2 1 ATOM 5280 H HB3 A MET D 3 82 ? -45.25611 -50.94509 42.63264 0.500 22.70466 ? 81 MET I HB3 1 ATOM 5281 H HB3 B MET D 3 82 ? -45.40309 -50.93132 42.72484 0.500 27.38919 ? 81 MET I HB3 1 ATOM 5282 H HG2 A MET D 3 82 ? -45.39266 -48.19694 42.14712 0.500 23.05355 ? 81 MET I HG2 1 ATOM 5283 H HG2 B MET D 3 82 ? -46.47807 -48.71872 42.94430 0.500 30.04639 ? 81 MET I HG2 1 ATOM 5284 H HG3 A MET D 3 82 ? -45.70790 -49.26008 41.00880 0.500 23.05355 ? 81 MET I HG3 1 ATOM 5285 H HG3 B MET D 3 82 ? -45.46813 -48.31378 41.78609 0.500 30.04639 ? 81 MET I HG3 1 ATOM 5286 H HE1 A MET D 3 82 ? -48.79765 -51.01998 42.35862 0.500 23.91196 ? 81 MET I HE1 1 ATOM 5287 H HE1 B MET D 3 82 ? -48.74726 -51.24570 41.47443 0.500 32.53877 ? 81 MET I HE1 1 ATOM 5288 H HE2 A MET D 3 82 ? -47.54431 -51.18094 41.39594 0.500 23.91196 ? 81 MET I HE2 1 ATOM 5289 H HE2 B MET D 3 82 ? -47.51471 -51.46131 42.45312 0.500 32.53877 ? 81 MET I HE2 1 ATOM 5290 H HE3 A MET D 3 82 ? -47.38496 -51.43313 42.95624 0.500 23.91196 ? 81 MET I HE3 1 ATOM 5291 H HE3 B MET D 3 82 ? -48.51778 -50.25315 42.69331 0.500 32.53877 ? 81 MET I HE3 1 ATOM 5292 N N . GLU D 3 83 ? -45.89604 -48.92543 45.81510 1.000 18.54133 ? 82 GLU I N 1 ATOM 5293 C CA . GLU D 3 83 ? -47.03034 -48.94935 46.72651 1.000 20.53426 ? 82 GLU I CA 1 ATOM 5294 C C . GLU D 3 83 ? -48.08964 -48.03250 46.13784 1.000 19.30443 ? 82 GLU I C 1 ATOM 5295 O O . GLU D 3 83 ? -47.84477 -46.84859 45.94965 1.000 20.75148 ? 82 GLU I O 1 ATOM 5296 C CB . GLU D 3 83 ? -46.64126 -48.48544 48.13232 1.000 21.53443 ? 82 GLU I CB 1 ATOM 5297 C CG . GLU D 3 83 ? -47.83181 -48.49215 49.11484 1.000 22.87332 ? 82 GLU I CG 1 ATOM 5298 C CD . GLU D 3 83 ? -47.42238 -48.44664 50.57819 1.000 26.58057 ? 82 GLU I CD 1 ATOM 5299 O OE1 . GLU D 3 83 ? -46.23408 -48.24285 50.87943 1.000 27.37237 ? 82 GLU I OE1 1 ATOM 5300 O OE2 . GLU D 3 83 ? -48.31386 -48.61714 51.43996 1.000 28.94925 -1 82 GLU I OE2 1 ATOM 5301 H H A GLU D 3 83 ? -45.44081 -48.19658 45.84889 0.500 22.24637 ? 82 GLU I H 1 ATOM 5302 H H B GLU D 3 83 ? -45.51571 -48.15606 45.76022 0.500 22.24637 ? 82 GLU I H 1 ATOM 5303 H HA . GLU D 3 83 ? -47.37583 -49.85219 46.80670 1.000 24.63789 ? 82 GLU I HA 1 ATOM 5304 H HB2 . GLU D 3 83 ? -45.95912 -49.07922 48.48306 1.000 25.83808 ? 82 GLU I HB2 1 ATOM 5305 H HB3 . GLU D 3 83 ? -46.29851 -47.57941 48.08205 1.000 25.83808 ? 82 GLU I HB3 1 ATOM 5306 H HG2 . GLU D 3 83 ? -48.38553 -47.71539 48.93899 1.000 27.44475 ? 82 GLU I HG2 1 ATOM 5307 H HG3 . GLU D 3 83 ? -48.34515 -49.30357 48.97708 1.000 27.44475 ? 82 GLU I HG3 1 ATOM 5308 N N . LEU D 3 84 ? -49.25245 -48.57407 45.82120 1.000 17.95296 ? 83 LEU I N 1 ATOM 5309 C CA . LEU D 3 84 ? -50.33460 -47.78758 45.25114 1.000 18.51939 ? 83 LEU I CA 1 ATOM 5310 C C . LEU D 3 84 ? -51.51444 -47.82694 46.19859 1.000 20.18794 ? 83 LEU I C 1 ATOM 5311 O O . LEU D 3 84 ? -51.96298 -48.90561 46.58540 1.000 20.34278 ? 83 LEU I O 1 ATOM 5312 C CB . LEU D 3 84 ? -50.73291 -48.34505 43.86785 1.000 20.03868 ? 83 LEU I CB 1 ATOM 5313 C CG . LEU D 3 84 ? -51.79740 -47.53542 43.12372 1.000 20.24074 ? 83 LEU I CG 1 ATOM 5314 C CD1 . LEU D 3 84 ? -51.28215 -46.13806 42.78918 1.000 21.45648 ? 83 LEU I CD1 1 ATOM 5315 C CD2 . LEU D 3 84 ? -52.20074 -48.25325 41.83577 1.000 21.17589 ? 83 LEU I CD2 1 ATOM 5316 H H . LEU D 3 84 ? -49.44223 -49.40602 45.92819 1.000 21.54032 ? 83 LEU I H 1 ATOM 5317 H HA . LEU D 3 84 ? -50.06124 -46.86324 45.14265 1.000 22.22004 ? 83 LEU I HA 1 ATOM 5318 H HB2 . LEU D 3 84 ? -49.94112 -48.36881 43.30803 1.000 24.04318 ? 83 LEU I HB2 1 ATOM 5319 H HB3 . LEU D 3 84 ? -51.08109 -49.24236 43.98832 1.000 24.04318 ? 83 LEU I HB3 1 ATOM 5320 H HG . LEU D 3 84 ? -52.57573 -47.44666 43.69575 1.000 24.28566 ? 83 LEU I HG 1 ATOM 5321 H HD11 . LEU D 3 84 ? -51.82481 -45.76328 42.07787 1.000 25.74454 ? 83 LEU I HD11 1 ATOM 5322 H HD12 . LEU D 3 84 ? -51.34372 -45.58087 43.58080 1.000 25.74454 ? 83 LEU I HD12 1 ATOM 5323 H HD13 . LEU D 3 84 ? -50.35813 -46.20272 42.50125 1.000 25.74454 ? 83 LEU I HD13 1 ATOM 5324 H HD21 . LEU D 3 84 ? -52.90933 -47.75154 41.40323 1.000 25.40784 ? 83 LEU I HD21 1 ATOM 5325 H HD22 . LEU D 3 84 ? -51.42946 -48.30835 41.25012 1.000 25.40784 ? 83 LEU I HD22 1 ATOM 5326 H HD23 . LEU D 3 84 ? -52.51341 -49.14474 42.05573 1.000 25.40784 ? 83 LEU I HD23 1 ATOM 5327 N N . ARG D 3 85 ? -52.00757 -46.65335 46.55279 1.000 19.81647 ? 84 ARG I N 1 ATOM 5328 C CA . ARG D 3 85 ? -53.00692 -46.48104 47.59227 1.000 20.86420 ? 84 ARG I CA 1 ATOM 5329 C C . ARG D 3 85 ? -54.36842 -46.13870 47.00704 1.000 20.87576 ? 84 ARG I C 1 ATOM 5330 O O . ARG D 3 85 ? -54.50855 -45.80930 45.82921 1.000 22.32114 ? 84 ARG I O 1 ATOM 5331 C CB . ARG D 3 85 ? -52.60803 -45.35303 48.53158 1.000 21.06377 ? 84 ARG I CB 1 ATOM 5332 C CG . ARG D 3 85 ? -51.30681 -45.57050 49.26744 1.000 20.14610 ? 84 ARG I CG 1 ATOM 5333 C CD . ARG D 3 85 ? -50.91886 -44.30968 49.95657 1.000 20.49728 ? 84 ARG I CD 1 ATOM 5334 N NE . ARG D 3 85 ? -49.58372 -44.40089 50.54709 1.000 20.87264 ? 84 ARG I NE 1 ATOM 5335 C CZ . ARG D 3 85 ? -48.45838 -44.16604 49.87352 1.000 20.12445 ? 84 ARG I CZ 1 ATOM 5336 N NH1 . ARG D 3 85 ? -48.46653 -43.90131 48.56849 1.000 20.84892 ? 84 ARG I NH1 1 ATOM 5337 N NH2 . ARG D 3 85 ? -47.29469 -44.19406 50.51920 1.000 20.72940 ? 84 ARG I NH2 1 ATOM 5338 H H . ARG D 3 85 ? -51.76899 -45.91083 46.19037 1.000 23.77653 ? 84 ARG I H 1 ATOM 5339 H HA . ARG D 3 85 ? -53.07361 -47.31979 48.07491 1.000 25.03381 ? 84 ARG I HA 1 ATOM 5340 H HB2 . ARG D 3 85 ? -52.51703 -44.53844 48.01288 1.000 25.27329 ? 84 ARG I HB2 1 ATOM 5341 H HB3 . ARG D 3 85 ? -53.30521 -45.24617 49.19748 1.000 25.27329 ? 84 ARG I HB3 1 ATOM 5342 H HG2 . ARG D 3 85 ? -51.41515 -46.27070 49.92993 1.000 24.17209 ? 84 ARG I HG2 1 ATOM 5343 H HG3 . ARG D 3 85 ? -50.60879 -45.81332 48.63919 1.000 24.17209 ? 84 ARG I HG3 1 ATOM 5344 H HD2 . ARG D 3 85 ? -50.91817 -43.58190 49.31530 1.000 24.59350 ? 84 ARG I HD2 1 ATOM 5345 H HD3 . ARG D 3 85 ? -51.55311 -44.12531 50.66695 1.000 24.59350 ? 84 ARG I HD3 1 ATOM 5346 H HE . ARG D 3 85 ? -49.52153 -44.61861 51.37675 1.000 25.04394 ? 84 ARG I HE 1 ATOM 5347 H HH11 . ARG D 3 85 ? -47.72709 -43.75296 48.15520 1.000 25.01547 ? 84 ARG I HH11 1 ATOM 5348 H HH12 . ARG D 3 85 ? -49.21125 -43.87869 48.13896 1.000 25.01547 ? 84 ARG I HH12 1 ATOM 5349 H HH21 . ARG D 3 85 ? -47.27468 -44.36244 51.36232 1.000 24.87205 ? 84 ARG I HH21 1 ATOM 5350 H HH22 . ARG D 3 85 ? -46.56286 -44.04377 50.09324 1.000 24.87205 ? 84 ARG I HH22 1 ATOM 5351 N N . SER D 3 86 ? -55.38270 -46.20979 47.86330 1.000 20.68628 ? 85 SER I N 1 ATOM 5352 C CA . SER D 3 86 ? -56.74344 -45.79782 47.49905 1.000 22.08942 ? 85 SER I CA 1 ATOM 5353 C C . SER D 3 86 ? -57.19387 -46.47035 46.19853 1.000 21.40112 ? 85 SER I C 1 ATOM 5354 O O . SER D 3 86 ? -57.68536 -45.83573 45.25378 1.000 22.25718 ? 85 SER I O 1 ATOM 5355 C CB . SER D 3 86 ? -56.83420 -44.28022 47.41412 1.000 24.59501 ? 85 SER I CB 1 ATOM 5356 O OG . SER D 3 86 ? -56.56285 -43.73144 48.69770 1.000 28.05912 ? 85 SER I OG 1 ATOM 5357 H H . SER D 3 86 ? -55.31155 -46.49585 48.67120 1.000 24.82031 ? 85 SER I H 1 ATOM 5358 H HA . SER D 3 86 ? -57.35624 -46.09210 48.19099 1.000 26.50408 ? 85 SER I HA 1 ATOM 5359 H HB2 . SER D 3 86 ? -56.18061 -43.95198 46.77695 1.000 29.51078 ? 85 SER I HB2 1 ATOM 5360 H HB3 . SER D 3 86 ? -57.72723 -44.02444 47.13489 1.000 29.51078 ? 85 SER I HB3 1 ATOM 5361 H HG . SER D 3 86 ? -56.53851 -42.89302 48.65240 1.000 33.66772 ? 85 SER I HG 1 ATOM 5362 N N . LEU D 3 87 ? -57.05453 -47.78865 46.17113 1.000 22.46740 ? 86 LEU I N 1 ATOM 5363 C CA . LEU D 3 87 ? -57.26592 -48.52510 44.93650 1.000 22.67293 ? 86 LEU I CA 1 ATOM 5364 C C . LEU D 3 87 ? -58.70429 -48.40949 44.47135 1.000 23.75070 ? 86 LEU I C 1 ATOM 5365 O O . LEU D 3 87 ? -59.64446 -48.37873 45.27074 1.000 24.25039 ? 86 LEU I O 1 ATOM 5366 C CB . LEU D 3 87 ? -56.90512 -49.99649 45.14163 1.000 22.73300 ? 86 LEU I CB 1 ATOM 5367 C CG . LEU D 3 87 ? -55.39991 -50.20533 45.30395 1.000 22.68385 ? 86 LEU I CG 1 ATOM 5368 C CD1 . LEU D 3 87 ? -55.13109 -51.58981 45.85274 1.000 23.08729 ? 86 LEU I CD1 1 ATOM 5369 C CD2 . LEU D 3 87 ? -54.68119 -49.99078 43.96324 1.000 23.39181 ? 86 LEU I CD2 1 ATOM 5370 H H . LEU D 3 87 ? -56.84035 -48.27508 46.84723 1.000 26.95765 ? 86 LEU I H 1 ATOM 5371 H HA . LEU D 3 87 ? -56.69753 -48.15622 44.24241 1.000 27.20429 ? 86 LEU I HA 1 ATOM 5372 H HB2 . LEU D 3 87 ? -57.34458 -50.32204 45.94275 1.000 27.27637 ? 86 LEU I HB2 1 ATOM 5373 H HB3 . LEU D 3 87 ? -57.20059 -50.50588 44.37084 1.000 27.27637 ? 86 LEU I HB3 1 ATOM 5374 H HG . LEU D 3 87 ? -55.04441 -49.55717 45.93197 1.000 27.21739 ? 86 LEU I HG 1 ATOM 5375 H HD11 . LEU D 3 87 ? -54.17369 -51.70961 45.95239 1.000 27.70151 ? 86 LEU I HD11 1 ATOM 5376 H HD12 . LEU D 3 87 ? -55.56698 -51.67793 46.71479 1.000 27.70151 ? 86 LEU I HD12 1 ATOM 5377 H HD13 . LEU D 3 87 ? -55.48432 -52.24862 45.23459 1.000 27.70151 ? 86 LEU I HD13 1 ATOM 5378 H HD21 . LEU D 3 87 ? -53.77751 -50.33685 44.03044 1.000 28.06695 ? 86 LEU I HD21 1 ATOM 5379 H HD22 . LEU D 3 87 ? -55.16483 -50.46181 43.26673 1.000 28.06695 ? 86 LEU I HD22 1 ATOM 5380 H HD23 . LEU D 3 87 ? -54.65798 -49.04139 43.76574 1.000 28.06695 ? 86 LEU I HD23 1 ATOM 5381 N N . ARG D 3 88 ? -58.86441 -48.35976 43.15348 1.000 24.53880 ? 87 ARG I N 1 ATOM 5382 C CA . ARG D 3 88 ? -60.17447 -48.31619 42.52213 1.000 28.46236 ? 87 ARG I CA 1 ATOM 5383 C C . ARG D 3 88 ? -60.14310 -49.26360 41.32854 1.000 23.14045 ? 87 ARG I C 1 ATOM 5384 O O . ARG D 3 88 ? -59.09637 -49.83373 40.99275 1.000 21.92839 ? 87 ARG I O 1 ATOM 5385 C CB . ARG D 3 88 ? -60.53135 -46.89606 42.08732 1.000 39.72415 ? 87 ARG I CB 1 ATOM 5386 C CG . ARG D 3 88 ? -59.58248 -46.29599 41.05569 1.000 50.96535 ? 87 ARG I CG 1 ATOM 5387 C CD . ARG D 3 88 ? -59.68826 -44.77031 41.05784 1.000 64.45247 ? 87 ARG I CD 1 ATOM 5388 N NE . ARG D 3 88 ? -59.47306 -44.24368 42.40147 1.000 69.48402 ? 87 ARG I NE 1 ATOM 5389 C CZ . ARG D 3 88 ? -58.47021 -43.45094 42.75751 1.000 63.31618 ? 87 ARG I CZ 1 ATOM 5390 N NH1 . ARG D 3 88 ? -57.65534 -42.91990 41.85892 1.000 64.16314 ? 87 ARG I NH1 1 ATOM 5391 N NH2 . ARG D 3 88 ? -58.28039 -43.18587 44.04962 1.000 63.99495 ? 87 ARG I NH2 1 ATOM 5392 H H . ARG D 3 88 ? -58.21294 -48.35010 42.59215 1.000 29.44333 ? 87 ARG I H 1 ATOM 5393 H HA . ARG D 3 88 ? -60.84963 -48.61648 43.15054 1.000 34.15160 ? 87 ARG I HA 1 ATOM 5394 H HB2 . ARG D 3 88 ? -61.41978 -46.90582 41.69811 1.000 47.66576 ? 87 ARG I HB2 1 ATOM 5395 H HB3 . ARG D 3 88 ? -60.51756 -46.32082 42.86822 1.000 47.66576 ? 87 ARG I HB3 1 ATOM 5396 H HG2 . ARG D 3 88 ? -58.66947 -46.54319 41.27063 1.000 61.15519 ? 87 ARG I HG2 1 ATOM 5397 H HG3 . ARG D 3 88 ? -59.81488 -46.62105 40.17182 1.000 61.15519 ? 87 ARG I HG3 1 ATOM 5398 H HD2 . ARG D 3 88 ? -59.01445 -44.39731 40.46814 1.000 77.33973 ? 87 ARG I HD2 1 ATOM 5399 H HD3 . ARG D 3 88 ? -60.57276 -44.50576 40.76024 1.000 77.33973 ? 87 ARG I HD3 1 ATOM 5400 H HE . ARG D 3 88 ? -60.03986 -44.46404 43.00957 1.000 83.37760 ? 87 ARG I HE 1 ATOM 5401 H HH11 . ARG D 3 88 ? -57.76998 -43.08626 41.02299 1.000 76.99253 ? 87 ARG I HH11 1 ATOM 5402 H HH12 . ARG D 3 88 ? -57.01147 -42.40867 42.11126 1.000 76.99253 ? 87 ARG I HH12 1 ATOM 5403 H HH21 . ARG D 3 88 ? -58.80433 -43.52713 44.64008 1.000 76.79071 ? 87 ARG I HH21 1 ATOM 5404 H HH22 . ARG D 3 88 ? -57.63395 -42.67356 44.29304 1.000 76.79071 ? 87 ARG I HH22 1 ATOM 5405 N N . SER D 3 89 ? -61.31106 -49.44087 40.69429 1.000 23.79295 ? 88 SER I N 1 ATOM 5406 C CA . SER D 3 89 ? -61.43357 -50.42361 39.62071 1.000 24.40222 ? 88 SER I CA 1 ATOM 5407 C C . SER D 3 89 ? -60.43718 -50.16953 38.49570 1.000 23.66436 ? 88 SER I C 1 ATOM 5408 O O . SER D 3 89 ? -59.87722 -51.12051 37.93953 1.000 22.14676 ? 88 SER I O 1 ATOM 5409 C CB . SER D 3 89 ? -62.85275 -50.42486 39.06966 1.000 26.39515 ? 88 SER I CB 1 ATOM 5410 O OG . SER D 3 89 ? -63.77106 -50.97401 40.01758 1.000 29.19800 ? 88 SER I OG 1 ATOM 5411 H H . SER D 3 89 ? -62.03465 -49.00930 40.86684 1.000 28.54831 ? 88 SER I H 1 ATOM 5412 H HA . SER D 3 89 ? -61.24476 -51.29895 39.99356 1.000 29.27944 ? 88 SER I HA 1 ATOM 5413 H HB2 . SER D 3 89 ? -63.11401 -49.51221 38.87034 1.000 31.67094 ? 88 SER I HB2 1 ATOM 5414 H HB3 . SER D 3 89 ? -62.87631 -50.96072 38.26145 1.000 31.67094 ? 88 SER I HB3 1 ATOM 5415 H HG . SER D 3 89 ? -64.55038 -50.95917 39.70445 1.000 35.03437 ? 88 SER I HG 1 ATOM 5416 N N . ASP D 3 90 ? -60.20501 -48.89786 38.14419 1.000 25.08880 ? 89 ASP I N 1 ATOM 5417 C CA . ASP D 3 90 ? -59.29288 -48.56065 37.04691 1.000 27.42204 ? 89 ASP I CA 1 ATOM 5418 C C . ASP D 3 90 ? -57.82879 -48.81263 37.39513 1.000 23.88717 ? 89 ASP I C 1 ATOM 5419 O O . ASP D 3 90 ? -56.95855 -48.61851 36.53820 1.000 25.98636 ? 89 ASP I O 1 ATOM 5420 C CB . ASP D 3 90 ? -59.48412 -47.09586 36.62117 1.000 34.58157 ? 89 ASP I CB 1 ATOM 5421 C CG . ASP D 3 90 ? -60.64880 -46.90115 35.64770 1.000 42.29110 ? 89 ASP I CG 1 ATOM 5422 O OD1 . ASP D 3 90 ? -61.21580 -47.90335 35.16343 1.000 41.29402 ? 89 ASP I OD1 1 ATOM 5423 O OD2 . ASP D 3 90 ? -61.00014 -45.73621 35.36913 1.000 53.68135 -1 89 ASP I OD2 1 ATOM 5424 H H . ASP D 3 90 ? -60.56321 -48.21527 38.52546 1.000 30.10333 ? 89 ASP I H 1 ATOM 5425 H HA . ASP D 3 90 ? -59.51626 -49.11661 36.28408 1.000 32.90321 ? 89 ASP I HA 1 ATOM 5426 H HB2 . ASP D 3 90 ? -59.66118 -46.55937 37.40967 1.000 41.49466 ? 89 ASP I HB2 1 ATOM 5427 H HB3 . ASP D 3 90 ? -58.67506 -46.78674 36.18439 1.000 41.49466 ? 89 ASP I HB3 1 ATOM 5428 N N . ASP D 3 91 ? -57.52108 -49.23734 38.61692 1.000 21.83568 ? 90 ASP I N 1 ATOM 5429 C CA . ASP D 3 91 ? -56.17061 -49.67334 38.95330 1.000 20.13007 ? 90 ASP I CA 1 ATOM 5430 C C . ASP D 3 91 ? -55.95634 -51.15670 38.68036 1.000 19.85718 ? 90 ASP I C 1 ATOM 5431 O O . ASP D 3 91 ? -54.82971 -51.63707 38.80338 1.000 21.20188 ? 90 ASP I O 1 ATOM 5432 C CB . ASP D 3 91 ? -55.88018 -49.38054 40.42221 1.000 20.07765 ? 90 ASP I CB 1 ATOM 5433 C CG . ASP D 3 91 ? -55.89703 -47.91593 40.72449 1.000 21.58331 ? 90 ASP I CG 1 ATOM 5434 O OD1 . ASP D 3 91 ? -55.33221 -47.12393 39.92373 1.000 23.12451 ? 90 ASP I OD1 1 ATOM 5435 O OD2 . ASP D 3 91 ? -56.46090 -47.53829 41.77942 1.000 22.47672 -1 90 ASP I OD2 1 ATOM 5436 H H . ASP D 3 91 ? -58.07882 -49.28230 39.26999 1.000 26.19959 ? 90 ASP I H 1 ATOM 5437 H HA . ASP D 3 91 ? -55.53195 -49.17347 38.42119 1.000 24.15285 ? 90 ASP I HA 1 ATOM 5438 H HB2 . ASP D 3 91 ? -56.55512 -49.80960 40.97110 1.000 24.08995 ? 90 ASP I HB2 1 ATOM 5439 H HB3 . ASP D 3 91 ? -55.00166 -49.72485 40.64706 1.000 24.08995 ? 90 ASP I HB3 1 ATOM 5440 N N . THR D 3 92 ? -56.99782 -51.89693 38.29489 1.000 20.11324 ? 91 THR I N 1 ATOM 5441 C CA . THR D 3 92 ? -56.79906 -53.26623 37.83914 1.000 20.12540 ? 91 THR I CA 1 ATOM 5442 C C . THR D 3 92 ? -55.88364 -53.25567 36.61966 1.000 20.44663 ? 91 THR I C 1 ATOM 5443 O O . THR D 3 92 ? -56.18948 -52.62131 35.60502 1.000 21.28466 ? 91 THR I O 1 ATOM 5444 C CB . THR D 3 92 ? -58.14916 -53.88735 37.49584 1.000 21.16154 ? 91 THR I CB 1 ATOM 5445 O OG1 . THR D 3 92 ? -58.91722 -54.02348 38.70627 1.000 22.94306 ? 91 THR I OG1 1 ATOM 5446 C CG2 . THR D 3 92 ? -57.96528 -55.24369 36.87060 1.000 22.61591 ? 91 THR I CG2 1 ATOM 5447 H H . THR D 3 92 ? -57.81557 -51.63073 38.28917 1.000 24.13266 ? 91 THR I H 1 ATOM 5448 H HA . THR D 3 92 ? -56.38947 -53.80225 38.53614 1.000 24.14725 ? 91 THR I HA 1 ATOM 5449 H HB . THR D 3 92 ? -58.62073 -53.32414 36.86234 1.000 25.39062 ? 91 THR I HB 1 ATOM 5450 H HG1 . THR D 3 92 ? -59.08202 -53.26554 39.02872 1.000 27.52844 ? 91 THR I HG1 1 ATOM 5451 H HG21 . THR D 3 92 ? -58.81641 -55.70688 36.82665 1.000 27.13587 ? 91 THR I HG21 1 ATOM 5452 H HG22 . THR D 3 92 ? -57.61127 -55.14972 35.97241 1.000 27.13587 ? 91 THR I HG22 1 ATOM 5453 H HG23 . THR D 3 92 ? -57.34655 -55.77155 37.39921 1.000 27.13587 ? 91 THR I HG23 1 ATOM 5454 N N . ALA D 3 93 ? -54.76179 -53.95004 36.72235 1.000 19.24582 ? 92 ALA I N 1 ATOM 5455 C CA . ALA D 3 93 ? -53.75078 -53.89523 35.67171 1.000 19.19465 ? 92 ALA I CA 1 ATOM 5456 C C . ALA D 3 93 ? -52.61829 -54.84377 36.01668 1.000 19.06055 ? 92 ALA I C 1 ATOM 5457 O O . ALA D 3 93 ? -52.46012 -55.25789 37.16990 1.000 19.01669 ? 92 ALA I O 1 ATOM 5458 C CB . ALA D 3 93 ? -53.20034 -52.48132 35.52871 1.000 20.16799 ? 92 ALA I CB 1 ATOM 5459 H H . ALA D 3 93 ? -54.56137 -54.45848 37.38637 1.000 23.09176 ? 92 ALA I H 1 ATOM 5460 H HA . ALA D 3 93 ? -54.14661 -54.19404 34.83809 1.000 23.03035 ? 92 ALA I HA 1 ATOM 5461 H HB1 . ALA D 3 93 ? -52.46623 -52.49083 34.89476 1.000 24.19835 ? 92 ALA I HB1 1 ATOM 5462 H HB2 . ALA D 3 93 ? -53.90644 -51.89844 35.20843 1.000 24.19835 ? 92 ALA I HB2 1 ATOM 5463 H HB3 . ALA D 3 93 ? -52.88617 -52.17572 36.39405 1.000 24.19835 ? 92 ALA I HB3 1 ATOM 5464 N N . VAL D 3 94 ? -51.79237 -55.13854 34.99816 1.000 19.48956 ? 93 VAL I N 1 ATOM 5465 C CA . VAL D 3 94 ? -50.50086 -55.75807 35.22924 1.000 18.72604 ? 93 VAL I CA 1 ATOM 5466 C C . VAL D 3 94 ? -49.49440 -54.64033 35.45012 1.000 20.43719 ? 93 VAL I C 1 ATOM 5467 O O . VAL D 3 94 ? -49.39969 -53.69922 34.64337 1.000 20.45070 ? 93 VAL I O 1 ATOM 5468 C CB . VAL D 3 94 ? -50.08515 -56.64199 34.04257 1.000 19.28756 ? 93 VAL I CB 1 ATOM 5469 C CG1 . VAL D 3 94 ? -48.66279 -57.15833 34.23943 1.000 21.71019 ? 93 VAL I CG1 1 ATOM 5470 C CG2 . VAL D 3 94 ? -51.04911 -57.81157 33.89781 1.000 19.77581 ? 93 VAL I CG2 1 ATOM 5471 H H . VAL D 3 94 ? -51.96811 -54.98498 34.17043 1.000 23.38424 ? 93 VAL I H 1 ATOM 5472 H HA . VAL D 3 94 ? -50.54088 -56.32086 36.01827 1.000 22.46802 ? 93 VAL I HA 1 ATOM 5473 H HB . VAL D 3 94 ? -50.11188 -56.11341 33.22968 1.000 23.14184 ? 93 VAL I HB 1 ATOM 5474 H HG11 . VAL D 3 94 ? -48.40941 -57.68801 33.46733 1.000 26.04900 ? 93 VAL I HG11 1 ATOM 5475 H HG12 . VAL D 3 94 ? -48.06249 -56.40220 34.33326 1.000 26.04900 ? 93 VAL I HG12 1 ATOM 5476 H HG13 . VAL D 3 94 ? -48.63337 -57.70537 35.03992 1.000 26.04900 ? 93 VAL I HG13 1 ATOM 5477 H HG21 . VAL D 3 94 ? -50.76972 -58.36018 33.14823 1.000 23.72775 ? 93 VAL I HG21 1 ATOM 5478 H HG22 . VAL D 3 94 ? -51.03523 -58.33517 34.71424 1.000 23.72775 ? 93 VAL I HG22 1 ATOM 5479 H HG23 . VAL D 3 94 ? -51.94223 -57.46715 33.74089 1.000 23.72775 ? 93 VAL I HG23 1 ATOM 5480 N N . TYR D 3 95 ? -48.75170 -54.74327 36.54864 1.000 19.00220 ? 94 TYR I N 1 ATOM 5481 C CA . TYR D 3 95 ? -47.69626 -53.80201 36.89103 1.000 19.00251 ? 94 TYR I CA 1 ATOM 5482 C C . TYR D 3 95 ? -46.35550 -54.44928 36.61213 1.000 19.18400 ? 94 TYR I C 1 ATOM 5483 O O . TYR D 3 95 ? -46.06954 -55.53335 37.12519 1.000 20.07703 ? 94 TYR I O 1 ATOM 5484 C CB . TYR D 3 95 ? -47.82793 -53.40368 38.36497 1.000 19.08996 ? 94 TYR I CB 1 ATOM 5485 C CG . TYR D 3 95 ? -49.08100 -52.58786 38.60145 1.000 18.95532 ? 94 TYR I CG 1 ATOM 5486 C CD1 . TYR D 3 95 ? -50.33001 -53.19588 38.72506 1.000 18.43134 ? 94 TYR I CD1 1 ATOM 5487 C CD2 . TYR D 3 95 ? -49.01844 -51.21153 38.63971 1.000 19.85520 ? 94 TYR I CD2 1 ATOM 5488 C CE1 . TYR D 3 95 ? -51.46369 -52.43256 38.90773 1.000 19.50311 ? 94 TYR I CE1 1 ATOM 5489 C CE2 . TYR D 3 95 ? -50.14418 -50.44075 38.82637 1.000 19.73820 ? 94 TYR I CE2 1 ATOM 5490 C CZ . TYR D 3 95 ? -51.36742 -51.07292 38.95529 1.000 18.83961 ? 94 TYR I CZ 1 ATOM 5491 O OH . TYR D 3 95 ? -52.48118 -50.30447 39.10806 1.000 20.36037 ? 94 TYR I OH 1 ATOM 5492 H H . TYR D 3 95 ? -48.84530 -55.37137 37.12858 1.000 22.79942 ? 94 TYR I H 1 ATOM 5493 H HA . TYR D 3 95 ? -47.75250 -52.99746 36.35210 1.000 22.79978 ? 94 TYR I HA 1 ATOM 5494 H HB2 . TYR D 3 95 ? -47.87483 -54.20368 38.91149 1.000 22.90472 ? 94 TYR I HB2 1 ATOM 5495 H HB3 . TYR D 3 95 ? -47.06062 -52.86965 38.62370 1.000 22.90472 ? 94 TYR I HB3 1 ATOM 5496 H HD1 . TYR D 3 95 ? -50.39874 -54.12243 38.68401 1.000 22.11438 ? 94 TYR I HD1 1 ATOM 5497 H HD2 . TYR D 3 95 ? -48.19458 -50.79253 38.53679 1.000 23.82301 ? 94 TYR I HD2 1 ATOM 5498 H HE1 . TYR D 3 95 ? -52.29269 -52.84420 38.99836 1.000 23.40050 ? 94 TYR I HE1 1 ATOM 5499 H HE2 . TYR D 3 95 ? -50.08309 -49.51357 38.86497 1.000 23.68261 ? 94 TYR I HE2 1 ATOM 5500 H HH . TYR D 3 95 ? -53.13857 -50.78783 39.30759 1.000 24.42921 ? 94 TYR I HH 1 ATOM 5501 N N . TYR D 3 96 ? -45.55565 -53.80231 35.76534 1.000 18.40855 ? 95 TYR I N 1 ATOM 5502 C CA . TYR D 3 96 ? -44.22051 -54.27950 35.45901 1.000 17.69073 ? 95 TYR I CA 1 ATOM 5503 C C . TYR D 3 96 ? -43.18873 -53.35531 36.07594 1.000 16.36900 ? 95 TYR I C 1 ATOM 5504 O O . TYR D 3 96 ? -43.33841 -52.13364 36.05685 1.000 16.91936 ? 95 TYR I O 1 ATOM 5505 C CB . TYR D 3 96 ? -43.92871 -54.20664 33.95644 1.000 17.76173 ? 95 TYR I CB 1 ATOM 5506 C CG . TYR D 3 96 ? -44.76009 -55.10722 33.08907 1.000 18.72469 ? 95 TYR I CG 1 ATOM 5507 C CD1 . TYR D 3 96 ? -44.43525 -56.44706 32.93343 1.000 20.06880 ? 95 TYR I CD1 1 ATOM 5508 C CD2 . TYR D 3 96 ? -45.86047 -54.61064 32.40717 1.000 19.19458 ? 95 TYR I CD2 1 ATOM 5509 C CE1 . TYR D 3 96 ? -45.18735 -57.27473 32.12946 1.000 21.94810 ? 95 TYR I CE1 1 ATOM 5510 C CE2 . TYR D 3 96 ? -46.61813 -55.43923 31.60353 1.000 19.83202 ? 95 TYR I CE2 1 ATOM 5511 C CZ . TYR D 3 96 ? -46.27426 -56.76109 31.47242 1.000 20.63547 ? 95 TYR I CZ 1 ATOM 5512 O OH . TYR D 3 96 ? -47.05622 -57.57344 30.65608 1.000 22.71454 ? 95 TYR I OH 1 ATOM 5513 H H . TYR D 3 96 ? -45.77189 -53.07812 35.35499 1.000 22.08702 ? 95 TYR I H 1 ATOM 5514 H HA . TYR D 3 96 ? -44.15209 -55.18736 35.79369 1.000 21.22565 ? 95 TYR I HA 1 ATOM 5515 H HB2 . TYR D 3 96 ? -44.08475 -53.29644 33.65965 1.000 21.31084 ? 95 TYR I HB2 1 ATOM 5516 H HB3 . TYR D 3 96 ? -42.99979 -54.44722 33.81454 1.000 21.31084 ? 95 TYR I HB3 1 ATOM 5517 H HD1 . TYR D 3 96 ? -43.69630 -56.79257 33.38006 1.000 24.07933 ? 95 TYR I HD1 1 ATOM 5518 H HD2 . TYR D 3 96 ? -46.08979 -53.71332 32.49165 1.000 23.03027 ? 95 TYR I HD2 1 ATOM 5519 H HE1 . TYR D 3 96 ? -44.96008 -58.17145 32.03377 1.000 26.33449 ? 95 TYR I HE1 1 ATOM 5520 H HE2 . TYR D 3 96 ? -47.35872 -55.10267 31.15281 1.000 23.79519 ? 95 TYR I HE2 1 ATOM 5521 H HH . TYR D 3 96 ? -47.65229 -57.11535 30.28130 1.000 27.25422 ? 95 TYR I HH 1 ATOM 5522 N N . CYS D 3 97 ? -42.07317 -53.92086 36.50419 1.000 17.54604 ? 96 CYS I N 1 ATOM 5523 C CA . CYS D 3 97 ? -40.89395 -53.10808 36.74164 1.000 18.25499 ? 96 CYS I CA 1 ATOM 5524 C C . CYS D 3 97 ? -39.95812 -53.26483 35.55079 1.000 17.34587 ? 96 CYS I C 1 ATOM 5525 O O . CYS D 3 97 ? -39.98591 -54.27732 34.85049 1.000 19.20922 ? 96 CYS I O 1 ATOM 5526 C CB . CYS D 3 97 ? -40.19881 -53.50218 38.04592 1.000 21.71910 ? 96 CYS I CB 1 ATOM 5527 S SG . CYS D 3 97 ? -39.61242 -55.19077 38.13713 1.000 22.76042 ? 96 CYS I SG 1 ATOM 5528 H H . CYS D 3 97 ? -41.97627 -54.76068 36.66204 1.000 21.05201 ? 96 CYS I H 1 ATOM 5529 H HA . CYS D 3 97 ? -41.13249 -52.17239 36.83378 1.000 21.90276 ? 96 CYS I HA 1 ATOM 5530 H HB2 . CYS D 3 97 ? -39.42952 -52.92385 38.16683 1.000 26.05969 ? 96 CYS I HB2 1 ATOM 5531 H HB3 . CYS D 3 97 ? -40.82644 -53.37612 38.77469 1.000 26.05969 ? 96 CYS I HB3 1 ATOM 5532 N N . ALA D 3 98 ? -39.16122 -52.23407 35.29179 1.000 16.97460 ? 97 ALA I N 1 ATOM 5533 C CA . ALA D 3 98 ? -38.30129 -52.27666 34.11772 1.000 17.60697 ? 97 ALA I CA 1 ATOM 5534 C C . ALA D 3 98 ? -37.08004 -51.39405 34.30779 1.000 17.21715 ? 97 ALA I C 1 ATOM 5535 O O . ALA D 3 98 ? -37.18967 -50.24292 34.75085 1.000 17.47950 ? 97 ALA I O 1 ATOM 5536 C CB . ALA D 3 98 ? -39.04529 -51.81162 32.86392 1.000 21.07041 ? 97 ALA I CB 1 ATOM 5537 H H . ALA D 3 98 ? -39.10258 -51.51986 35.76724 1.000 20.36629 ? 97 ALA I H 1 ATOM 5538 H HA . ALA D 3 98 ? -38.00231 -53.19323 34.01090 1.000 21.12513 ? 97 ALA I HA 1 ATOM 5539 H HB1 . ALA D 3 98 ? -38.48051 -51.95807 32.08902 1.000 25.28126 ? 97 ALA I HB1 1 ATOM 5540 H HB2 . ALA D 3 98 ? -39.86583 -52.32146 32.77628 1.000 25.28126 ? 97 ALA I HB2 1 ATOM 5541 H HB3 . ALA D 3 98 ? -39.25014 -50.86744 32.95023 1.000 25.28126 ? 97 ALA I HB3 1 ATOM 5542 N N A ARG D 3 99 ? -35.92075 -51.93671 33.96174 0.803 15.76533 ? 98 ARG I N 1 ATOM 5543 N N B ARG D 3 99 ? -35.92123 -51.92442 33.92485 0.197 17.61954 ? 98 ARG I N 1 ATOM 5544 C CA A ARG D 3 99 ? -34.66310 -51.25483 34.16685 0.803 15.39274 ? 98 ARG I CA 1 ATOM 5545 C CA B ARG D 3 99 ? -34.64406 -51.26861 34.16127 0.197 18.48254 ? 98 ARG I CA 1 ATOM 5546 C C A ARG D 3 99 ? -34.35544 -50.33980 32.99297 0.803 15.74886 ? 98 ARG I C 1 ATOM 5547 C C B ARG D 3 99 ? -34.28485 -50.36118 32.99184 0.197 17.22460 ? 98 ARG I C 1 ATOM 5548 O O A ARG D 3 99 ? -34.50899 -50.73683 31.83534 0.803 17.52491 ? 98 ARG I O 1 ATOM 5549 O O B ARG D 3 99 ? -34.31951 -50.78786 31.83129 0.197 17.94402 ? 98 ARG I O 1 ATOM 5550 C CB A ARG D 3 99 ? -33.54311 -52.28022 34.28907 0.803 17.22002 ? 98 ARG I CB 1 ATOM 5551 C CB B ARG D 3 99 ? -33.54394 -52.31637 34.34004 0.197 21.09755 ? 98 ARG I CB 1 ATOM 5552 C CG A ARG D 3 99 ? -32.22902 -51.64558 34.67689 0.803 18.69815 ? 98 ARG I CG 1 ATOM 5553 C CG B ARG D 3 99 ? -32.23241 -51.77398 34.89785 0.197 23.84282 ? 98 ARG I CG 1 ATOM 5554 C CD A ARG D 3 99 ? -31.12315 -52.65138 34.73363 0.803 21.05380 ? 98 ARG I CD 1 ATOM 5555 C CD B ARG D 3 99 ? -31.03491 -52.49378 34.28891 0.197 25.94938 ? 98 ARG I CD 1 ATOM 5556 N NE A ARG D 3 99 ? -30.63650 -53.02632 33.41017 0.803 22.69995 ? 98 ARG I NE 1 ATOM 5557 N NE B ARG D 3 99 ? -29.96450 -52.71790 35.25358 0.197 28.20960 ? 98 ARG I NE 1 ATOM 5558 C CZ A ARG D 3 99 ? -29.48706 -53.64405 33.19066 0.803 27.30853 ? 98 ARG I CZ 1 ATOM 5559 C CZ B ARG D 3 99 ? -28.74762 -53.14127 34.93843 0.197 30.03100 ? 98 ARG I CZ 1 ATOM 5560 N NH1 A ARG D 3 99 ? -28.65823 -53.92313 34.17876 0.803 32.65351 ? 98 ARG I NH1 1 ATOM 5561 N NH1 B ARG D 3 99 ? -28.39498 -53.35799 33.68138 0.197 31.53689 ? 98 ARG I NH1 1 ATOM 5562 N NH2 A ARG D 3 99 ? -29.16451 -53.98718 31.94888 0.803 27.84961 ? 98 ARG I NH2 1 ATOM 5563 N NH2 B ARG D 3 99 ? -27.86176 -53.35261 35.90983 0.197 32.30436 ? 98 ARG I NH2 1 ATOM 5564 H H A ARG D 3 99 ? -35.84021 -52.71290 33.60029 0.803 18.91517 ? 98 ARG I H 1 ATOM 5565 H H B ARG D 3 99 ? -35.84987 -52.67880 33.51812 0.197 21.14022 ? 98 ARG I H 1 ATOM 5566 H HA A ARG D 3 99 ? -34.71334 -50.71950 34.97419 0.803 18.46805 ? 98 ARG I HA 1 ATOM 5567 H HA B ARG D 3 99 ? -34.71181 -50.72510 34.96184 0.197 22.17582 ? 98 ARG I HA 1 ATOM 5568 H HB2 A ARG D 3 99 ? -33.77896 -52.92886 34.97064 0.803 20.66079 ? 98 ARG I HB2 1 ATOM 5569 H HB2 B ARG D 3 99 ? -33.86309 -52.99677 34.95331 0.197 25.31383 ? 98 ARG I HB2 1 ATOM 5570 H HB3 A ARG D 3 99 ? -33.42442 -52.72462 33.43507 0.803 20.66079 ? 98 ARG I HB3 1 ATOM 5571 H HB3 B ARG D 3 99 ? -33.35219 -52.71247 33.47562 0.197 25.31383 ? 98 ARG I HB3 1 ATOM 5572 H HG2 A ARG D 3 99 ? -31.99297 -50.97121 34.02083 0.803 22.43456 ? 98 ARG I HG2 1 ATOM 5573 H HG2 B ARG D 3 99 ? -32.15982 -50.82927 34.69009 0.197 28.60816 ? 98 ARG I HG2 1 ATOM 5574 H HG3 A ARG D 3 99 ? -32.31570 -51.23958 35.55355 0.803 22.43456 ? 98 ARG I HG3 1 ATOM 5575 H HG3 B ARG D 3 99 ? -32.21205 -51.90486 35.85876 0.197 28.60816 ? 98 ARG I HG3 1 ATOM 5576 H HD2 A ARG D 3 99 ? -30.37985 -52.27709 35.23193 0.803 25.26133 ? 98 ARG I HD2 1 ATOM 5577 H HD2 B ARG D 3 99 ? -31.32178 -53.35726 33.95276 0.197 31.13603 ? 98 ARG I HD2 1 ATOM 5578 H HD3 A ARG D 3 99 ? -31.44670 -53.45342 35.17289 0.803 25.26133 ? 98 ARG I HD3 1 ATOM 5579 H HD3 B ARG D 3 99 ? -30.67810 -51.95734 33.56378 0.197 31.13603 ? 98 ARG I HD3 1 ATOM 5580 H HE A ARG D 3 99 ? -31.12715 -52.83388 32.73060 0.803 27.23671 ? 98 ARG I HE 1 ATOM 5581 H HE B ARG D 3 99 ? -30.13366 -52.56527 36.08285 0.197 33.84829 ? 98 ARG I HE 1 ATOM 5582 H HH11 A ARG D 3 99 ? -28.86072 -53.70291 34.98505 0.803 39.18098 ? 98 ARG I HH11 1 ATOM 5583 H HH11 B ARG D 3 99 ? -28.96014 -53.22434 33.04708 0.197 37.84104 ? 98 ARG I HH11 1 ATOM 5584 H HH12 A ARG D 3 99 ? -27.91555 -54.32524 34.01646 0.803 39.18098 ? 98 ARG I HH12 1 ATOM 5585 H HH12 B ARG D 3 99 ? -27.60067 -53.63247 33.49882 0.197 37.84104 ? 98 ARG I HH12 1 ATOM 5586 H HH21 A ARG D 3 99 ? -29.69988 -53.80747 31.30028 0.803 33.41630 ? 98 ARG I HH21 1 ATOM 5587 H HH21 B ARG D 3 99 ? -28.08157 -53.21461 36.72973 0.197 38.76200 ? 98 ARG I HH21 1 ATOM 5588 H HH22 A ARG D 3 99 ? -28.42027 -54.38908 31.79337 0.803 33.41630 ? 98 ARG I HH22 1 ATOM 5589 H HH22 B ARG D 3 99 ? -27.06981 -53.62712 35.71732 0.197 38.76200 ? 98 ARG I HH22 1 ATOM 5590 N N . ASP D 3 100 ? -33.92599 -49.11677 33.30985 1.000 16.50635 ? 99 ASP I N 1 ATOM 5591 C CA . ASP D 3 100 ? -33.38445 -48.18450 32.31840 1.000 17.16661 ? 99 ASP I CA 1 ATOM 5592 C C . ASP D 3 100 ? -32.01595 -48.68721 31.87929 1.000 17.34448 ? 99 ASP I C 1 ATOM 5593 O O . ASP D 3 100 ? -31.15032 -48.94928 32.70587 1.000 17.48317 ? 99 ASP I O 1 ATOM 5594 C CB . ASP D 3 100 ? -33.30981 -46.80624 32.96544 1.000 18.09516 ? 99 ASP I CB 1 ATOM 5595 C CG . ASP D 3 100 ? -32.82906 -45.70298 32.03791 1.000 18.40315 ? 99 ASP I CG 1 ATOM 5596 O OD1 . ASP D 3 100 ? -31.81673 -45.89004 31.35457 1.000 18.26691 ? 99 ASP I OD1 1 ATOM 5597 O OD2 . ASP D 3 100 ? -33.46299 -44.62250 32.04081 1.000 18.53707 -1 99 ASP I OD2 1 ATOM 5598 H HA . ASP D 3 100 ? -33.94229 -48.12205 31.52731 1.000 20.59670 ? 99 ASP I HA 1 ATOM 5599 H HB2 . ASP D 3 100 ? -34.19531 -46.56190 33.27704 1.000 21.71096 ? 99 ASP I HB2 1 ATOM 5600 H HB3 . ASP D 3 100 ? -32.69455 -46.84838 33.71415 1.000 21.71096 ? 99 ASP I HB3 1 ATOM 5601 N N . ASN D 3 101 ? -31.82609 -48.85961 30.57908 1.000 17.51378 ? 100 ASN I N 1 ATOM 5602 C CA . ASN D 3 101 ? -30.59454 -49.46498 30.07278 1.000 17.33262 ? 100 ASN I CA 1 ATOM 5603 C C . ASN D 3 101 ? -29.34299 -48.65953 30.40993 1.000 18.64079 ? 100 ASN I C 1 ATOM 5604 O O . ASN D 3 101 ? -28.24521 -49.22628 30.47607 1.000 19.90808 ? 100 ASN I O 1 ATOM 5605 C CB . ASN D 3 101 ? -30.70937 -49.59304 28.55544 1.000 18.01093 ? 100 ASN I CB 1 ATOM 5606 C CG . ASN D 3 101 ? -29.39228 -49.90748 27.88967 1.000 20.85537 ? 100 ASN I CG 1 ATOM 5607 O OD1 . ASN D 3 101 ? -28.71735 -49.01775 27.37285 1.000 21.91077 ? 100 ASN I OD1 1 ATOM 5608 N ND2 . ASN D 3 101 ? -29.00866 -51.16645 27.91335 1.000 22.16767 ? 100 ASN I ND2 1 ATOM 5609 H H . ASN D 3 101 ? -32.38879 -48.63753 29.96781 1.000 21.01331 ? 100 ASN I H 1 ATOM 5610 H HA . ASN D 3 101 ? -30.49291 -50.33735 30.48453 1.000 20.79592 ? 100 ASN I HA 1 ATOM 5611 H HB2 . ASN D 3 101 ? -31.32906 -50.30915 28.34548 1.000 21.60989 ? 100 ASN I HB2 1 ATOM 5612 H HB3 . ASN D 3 101 ? -31.03553 -48.75489 28.19208 1.000 21.60989 ? 100 ASN I HB3 1 ATOM 5613 H HD21 . ASN D 3 101 ? -29.50150 -51.75904 28.29486 1.000 26.59798 ? 100 ASN I HD21 1 ATOM 5614 H HD22 . ASN D 3 101 ? -28.26519 -51.39638 27.54732 1.000 26.59798 ? 100 ASN I HD22 1 ATOM 5615 N N . LEU D 3 102 ? -29.46032 -47.35081 30.59453 1.000 17.21506 ? 101 LEU I N 1 ATOM 5616 C CA . LEU D 3 102 ? -28.28589 -46.48099 30.71964 1.000 18.28568 ? 101 LEU I CA 1 ATOM 5617 C C . LEU D 3 102 ? -28.09309 -46.09155 32.17632 1.000 17.79343 ? 101 LEU I C 1 ATOM 5618 O O . LEU D 3 102 ? -28.84098 -45.26689 32.71570 1.000 17.84027 ? 101 LEU I O 1 ATOM 5619 C CB . LEU D 3 102 ? -28.44785 -45.23509 29.85917 1.000 20.52860 ? 101 LEU I CB 1 ATOM 5620 C CG . LEU D 3 102 ? -27.26709 -44.27021 29.86783 1.000 21.40971 ? 101 LEU I CG 1 ATOM 5621 C CD1 . LEU D 3 102 ? -25.99449 -44.88635 29.27881 1.000 22.26114 ? 101 LEU I CD1 1 ATOM 5622 C CD2 . LEU D 3 102 ? -27.66219 -43.00382 29.12027 1.000 21.84404 ? 101 LEU I CD2 1 ATOM 5623 H H . LEU D 3 102 ? -30.21180 -46.93654 30.65159 1.000 20.65484 ? 101 LEU I H 1 ATOM 5624 H HA . LEU D 3 102 ? -27.50359 -46.97581 30.42972 1.000 21.93958 ? 101 LEU I HA 1 ATOM 5625 H HB2 . LEU D 3 102 ? -28.58493 -45.51567 28.94081 1.000 24.63109 ? 101 LEU I HB2 1 ATOM 5626 H HB3 . LEU D 3 102 ? -29.22318 -44.74570 30.17580 1.000 24.63109 ? 101 LEU I HB3 1 ATOM 5627 H HG . LEU D 3 102 ? -27.04719 -44.05140 30.78689 1.000 25.68843 ? 101 LEU I HG 1 ATOM 5628 H HD11 . LEU D 3 102 ? -25.73305 -45.64816 29.81935 1.000 26.71014 ? 101 LEU I HD11 1 ATOM 5629 H HD12 . LEU D 3 102 ? -26.17366 -45.17200 28.36931 1.000 26.71014 ? 101 LEU I HD12 1 ATOM 5630 H HD13 . LEU D 3 102 ? -25.28963 -44.21998 29.28344 1.000 26.71014 ? 101 LEU I HD13 1 ATOM 5631 H HD21 . LEU D 3 102 ? -26.89520 -42.41176 29.07459 1.000 26.20962 ? 101 LEU I HD21 1 ATOM 5632 H HD22 . LEU D 3 102 ? -27.94979 -43.24225 28.22510 1.000 26.20962 ? 101 LEU I HD22 1 ATOM 5633 H HD23 . LEU D 3 102 ? -28.38742 -42.56952 29.59602 1.000 26.20962 ? 101 LEU I HD23 1 ATOM 5634 N N . GLY D 3 103 ? -27.07133 -46.66052 32.80470 1.000 17.99750 ? 102 GLY I N 1 ATOM 5635 C CA . GLY D 3 103 ? -26.79937 -46.34563 34.19444 1.000 18.07974 ? 102 GLY I CA 1 ATOM 5636 C C . GLY D 3 103 ? -26.43011 -44.89121 34.39326 1.000 18.10678 ? 102 GLY I C 1 ATOM 5637 O O . GLY D 3 103 ? -26.04435 -44.18880 33.46260 1.000 19.52131 ? 102 GLY I O 1 ATOM 5638 H H . GLY D 3 103 ? -26.52787 -47.22553 32.45112 1.000 21.59378 ? 102 GLY I H 1 ATOM 5639 H HA2 . GLY D 3 103 ? -27.58707 -46.53676 34.72726 1.000 21.69246 ? 102 GLY I HA2 1 ATOM 5640 H HA3 . GLY D 3 103 ? -26.06397 -46.89376 34.51009 1.000 21.69246 ? 102 GLY I HA3 1 ATOM 5641 N N . TYR D 3 104 ? -26.55149 -44.43223 35.63940 1.000 16.86461 ? 103 TYR I N 1 ATOM 5642 C CA . TYR D 3 104 ? -26.32091 -43.02800 35.93103 1.000 16.61892 ? 103 TYR I CA 1 ATOM 5643 C C . TYR D 3 104 ? -24.88468 -42.72043 36.32115 1.000 18.37839 ? 103 TYR I C 1 ATOM 5644 O O . TYR D 3 104 ? -24.47221 -41.56067 36.22301 1.000 17.92389 ? 103 TYR I O 1 ATOM 5645 C CB . TYR D 3 104 ? -27.28411 -42.52482 37.01630 1.000 17.87203 ? 103 TYR I CB 1 ATOM 5646 C CG . TYR D 3 104 ? -28.58436 -42.09601 36.37918 1.000 17.52682 ? 103 TYR I CG 1 ATOM 5647 C CD1 . TYR D 3 104 ? -29.57379 -43.02410 36.09612 1.000 18.20412 ? 103 TYR I CD1 1 ATOM 5648 C CD2 . TYR D 3 104 ? -28.79035 -40.77625 35.99582 1.000 15.80979 ? 103 TYR I CD2 1 ATOM 5649 C CE1 . TYR D 3 104 ? -30.75851 -42.63527 35.46344 1.000 17.98605 ? 103 TYR I CE1 1 ATOM 5650 C CE2 . TYR D 3 104 ? -29.96181 -40.37877 35.36436 1.000 15.75943 ? 103 TYR I CE2 1 ATOM 5651 C CZ . TYR D 3 104 ? -30.92756 -41.31285 35.11186 1.000 16.66682 ? 103 TYR I CZ 1 ATOM 5652 O OH . TYR D 3 104 ? -32.09393 -40.91139 34.48021 1.000 18.04614 ? 103 TYR I OH 1 ATOM 5653 H H . TYR D 3 104 ? -26.76379 -44.91186 36.32093 1.000 20.23430 ? 103 TYR I H 1 ATOM 5654 H HA . TYR D 3 104 ? -26.51491 -42.51760 35.12931 1.000 19.93947 ? 103 TYR I HA 1 ATOM 5655 H HB2 . TYR D 3 104 ? -27.46500 -43.23670 37.64987 1.000 21.44320 ? 103 TYR I HB2 1 ATOM 5656 H HB3 . TYR D 3 104 ? -26.89346 -41.76429 37.47444 1.000 21.44320 ? 103 TYR I HB3 1 ATOM 5657 H HD1 . TYR D 3 104 ? -29.44838 -43.91554 36.32959 1.000 21.84171 ? 103 TYR I HD1 1 ATOM 5658 H HD2 . TYR D 3 104 ? -28.12894 -40.14499 36.16591 1.000 18.96851 ? 103 TYR I HD2 1 ATOM 5659 H HE1 . TYR D 3 104 ? -31.42323 -43.25996 35.28228 1.000 21.58004 ? 103 TYR I HE1 1 ATOM 5660 H HE2 . TYR D 3 104 ? -30.08727 -39.49105 35.11716 1.000 18.90808 ? 103 TYR I HE2 1 ATOM 5661 H HH . TYR D 3 104 ? -32.57149 -41.58027 34.30658 1.000 21.65214 ? 103 TYR I HH 1 ATOM 5662 N N . CYS D 3 105 ? -24.11941 -43.71853 36.75030 1.000 21.92031 ? 104 CYS I N 1 ATOM 5663 C CA . CYS D 3 105 ? -22.79103 -43.46390 37.28518 1.000 22.84354 ? 104 CYS I CA 1 ATOM 5664 C C . CYS D 3 105 ? -21.83440 -44.56507 36.85476 1.000 25.48785 ? 104 CYS I C 1 ATOM 5665 O O . CYS D 3 105 ? -22.22339 -45.71649 36.63738 1.000 26.66646 ? 104 CYS I O 1 ATOM 5666 C CB . CYS D 3 105 ? -22.78124 -43.40596 38.80424 1.000 23.74691 ? 104 CYS I CB 1 ATOM 5667 S SG . CYS D 3 105 ? -23.91887 -42.25323 39.57555 1.000 25.21192 ? 104 CYS I SG 1 ATOM 5668 H H . CYS D 3 105 ? -24.34819 -44.54749 36.74117 1.000 26.30114 ? 104 CYS I H 1 ATOM 5669 H HA . CYS D 3 105 ? -22.48599 -42.61504 36.92839 1.000 27.40902 ? 104 CYS I HA 1 ATOM 5670 H HB2 . CYS D 3 105 ? -23.00181 -44.28902 39.13960 1.000 28.49306 ? 104 CYS I HB2 1 ATOM 5671 H HB3 . CYS D 3 105 ? -21.88828 -43.15636 39.08923 1.000 28.49306 ? 104 CYS I HB3 1 ATOM 5672 N N . SER D 3 106 ? -20.56984 -44.19601 36.74460 1.000 23.24328 ? 105 SER I N 1 ATOM 5673 C CA . SER D 3 106 ? -19.50415 -45.15188 36.49222 1.000 22.91544 ? 105 SER I CA 1 ATOM 5674 C C . SER D 3 106 ? -18.19555 -44.43712 36.78307 1.000 23.37440 ? 105 SER I C 1 ATOM 5675 O O . SER D 3 106 ? -18.09002 -43.21828 36.63199 1.000 23.07034 ? 105 SER I O 1 ATOM 5676 C CB . SER D 3 106 ? -19.52317 -45.66771 35.04343 1.000 25.85465 ? 105 SER I CB 1 ATOM 5677 O OG . SER D 3 106 ? -19.21659 -44.64076 34.12244 1.000 28.31443 ? 105 SER I OG 1 ATOM 5678 H H . SER D 3 106 ? -20.29664 -43.38344 36.81309 1.000 27.88870 ? 105 SER I H 1 ATOM 5679 H HA . SER D 3 106 ? -19.59594 -45.92287 37.07364 1.000 27.49530 ? 105 SER I HA 1 ATOM 5680 N N . GLY D 3 107 ? -17.21795 -45.19680 37.25413 1.000 24.69278 ? 106 GLY I N 1 ATOM 5681 C CA . GLY D 3 107 ? -15.90389 -44.62735 37.46317 1.000 23.84446 ? 106 GLY I CA 1 ATOM 5682 C C . GLY D 3 107 ? -15.86271 -43.45288 38.40979 1.000 22.67417 ? 106 GLY I C 1 ATOM 5683 O O . GLY D 3 107 ? -14.95649 -42.62284 38.30714 1.000 26.13346 ? 106 GLY I O 1 ATOM 5684 H H . GLY D 3 107 ? -17.29098 -46.02955 37.45613 1.000 29.62811 ? 106 GLY I H 1 ATOM 5685 H HA2 . GLY D 3 107 ? -15.32073 -45.31522 37.82046 1.000 28.61012 ? 106 GLY I HA2 1 ATOM 5686 H HA3 . GLY D 3 107 ? -15.55482 -44.33008 36.60837 1.000 28.61012 ? 106 GLY I HA3 1 ATOM 5687 N N . GLY D 3 108 ? -16.80801 -43.36199 39.33913 1.000 21.48295 ? 107 GLY I N 1 ATOM 5688 C CA . GLY D 3 108 ? -16.80530 -42.29883 40.31908 1.000 19.26702 ? 107 GLY I CA 1 ATOM 5689 C C . GLY D 3 108 ? -17.38194 -40.97916 39.87291 1.000 17.00899 ? 107 GLY I C 1 ATOM 5690 O O . GLY D 3 108 ? -17.07388 -39.94784 40.49233 1.000 17.73494 ? 107 GLY I O 1 ATOM 5691 H H . GLY D 3 108 ? -17.46492 -43.91124 39.41908 1.000 25.77631 ? 107 GLY I H 1 ATOM 5692 H HA2 . GLY D 3 108 ? -17.31627 -42.59275 41.08941 1.000 23.11720 ? 107 GLY I HA2 1 ATOM 5693 H HA3 . GLY D 3 108 ? -15.88840 -42.13725 40.59127 1.000 23.11720 ? 107 GLY I HA3 1 ATOM 5694 N N . SER D 3 109 ? -18.19177 -40.97061 38.81132 1.000 17.17436 ? 108 SER I N 1 ATOM 5695 C CA . SER D 3 109 ? -18.85103 -39.76259 38.33571 1.000 16.06886 ? 108 SER I CA 1 ATOM 5696 C C . SER D 3 109 ? -20.22682 -40.15292 37.83105 1.000 17.10069 ? 108 SER I C 1 ATOM 5697 O O . SER D 3 109 ? -20.48740 -41.31333 37.52456 1.000 18.52378 ? 108 SER I O 1 ATOM 5698 C CB . SER D 3 109 ? -18.05795 -39.02856 37.24178 1.000 18.57934 ? 108 SER I CB 1 ATOM 5699 O OG . SER D 3 109 ? -17.60910 -39.94109 36.28046 1.000 20.71916 ? 108 SER I OG 1 ATOM 5700 H H . SER D 3 109 ? -18.37603 -41.66827 38.34344 1.000 20.60600 ? 108 SER I H 1 ATOM 5701 H HA . SER D 3 109 ? -18.94351 -39.13607 39.07043 1.000 19.27940 ? 108 SER I HA 1 ATOM 5702 N N . CYS D 3 110 ? -21.10708 -39.16927 37.73822 1.000 15.88559 ? 109 CYS I N 1 ATOM 5703 C CA . CYS D 3 110 ? -22.51684 -39.42276 37.45574 1.000 16.68626 ? 109 CYS I CA 1 ATOM 5704 C C . CYS D 3 110 ? -23.10541 -38.34502 36.55385 1.000 15.76442 ? 109 CYS I C 1 ATOM 5705 O O . CYS D 3 110 ? -22.66844 -37.19736 36.55738 1.000 17.83159 ? 109 CYS I O 1 ATOM 5706 C CB . CYS D 3 110 ? -23.34689 -39.39831 38.73944 1.000 20.37105 ? 109 CYS I CB 1 ATOM 5707 S SG . CYS D 3 110 ? -22.87028 -40.52499 40.05397 1.000 24.42600 ? 109 CYS I SG 1 ATOM 5708 H H . CYS D 3 110 ? -20.91387 -38.33690 37.83530 1.000 19.05948 ? 109 CYS I H 1 ATOM 5709 H HA . CYS D 3 110 ? -22.57013 -40.28095 37.00678 1.000 20.02028 ? 109 CYS I HA 1 ATOM 5710 H HB2 . CYS D 3 110 ? -23.29934 -38.50203 39.10730 1.000 24.44203 ? 109 CYS I HB2 1 ATOM 5711 H HB3 . CYS D 3 110 ? -24.26344 -39.61253 38.50505 1.000 24.44203 ? 109 CYS I HB3 1 ATOM 5712 N N . TYR D 3 111 ? -24.12553 -38.72375 35.78612 1.000 15.66323 ? 110 TYR I N 1 ATOM 5713 C CA . TYR D 3 111 ? -24.81568 -37.76494 34.94759 1.000 15.86444 ? 110 TYR I CA 1 ATOM 5714 C C . TYR D 3 111 ? -25.52969 -36.69659 35.76711 1.000 15.87451 ? 110 TYR I C 1 ATOM 5715 O O . TYR D 3 111 ? -25.91088 -36.89606 36.92049 1.000 16.23205 ? 110 TYR I O 1 ATOM 5716 C CB . TYR D 3 111 ? -25.83788 -38.48947 34.06171 1.000 16.18154 ? 110 TYR I CB 1 ATOM 5717 C CG . TYR D 3 111 ? -25.22778 -39.34381 32.96728 1.000 16.74394 ? 110 TYR I CG 1 ATOM 5718 C CD1 . TYR D 3 111 ? -24.39037 -38.77833 32.00900 1.000 18.52856 ? 110 TYR I CD1 1 ATOM 5719 C CD2 . TYR D 3 111 ? -25.52862 -40.68191 32.86502 1.000 17.73466 ? 110 TYR I CD2 1 ATOM 5720 C CE1 . TYR D 3 111 ? -23.86595 -39.54646 31.00256 1.000 18.55222 ? 110 TYR I CE1 1 ATOM 5721 C CE2 . TYR D 3 111 ? -25.00418 -41.45996 31.86426 1.000 19.00353 ? 110 TYR I CE2 1 ATOM 5722 C CZ . TYR D 3 111 ? -24.17617 -40.88381 30.94996 1.000 17.62310 ? 110 TYR I CZ 1 ATOM 5723 O OH . TYR D 3 111 ? -23.63565 -41.67986 29.93523 1.000 19.17841 ? 110 TYR I OH 1 ATOM 5724 H H . TYR D 3 111 ? -24.43121 -39.52609 35.73700 1.000 18.79265 ? 110 TYR I H 1 ATOM 5725 H HA . TYR D 3 111 ? -24.16103 -37.31568 34.39036 1.000 19.03410 ? 110 TYR I HA 1 ATOM 5726 H HB2 . TYR D 3 111 ? -26.37516 -39.07103 34.62209 1.000 19.41462 ? 110 TYR I HB2 1 ATOM 5727 H HB3 . TYR D 3 111 ? -26.40224 -37.82590 33.63500 1.000 19.41462 ? 110 TYR I HB3 1 ATOM 5728 H HD1 . TYR D 3 111 ? -24.18540 -37.87224 32.05241 1.000 22.23104 ? 110 TYR I HD1 1 ATOM 5729 H HD2 . TYR D 3 111 ? -26.10056 -41.06805 33.48846 1.000 21.27836 ? 110 TYR I HD2 1 ATOM 5730 H HE1 . TYR D 3 111 ? -23.30711 -39.16723 30.36320 1.000 22.25943 ? 110 TYR I HE1 1 ATOM 5731 H HE2 . TYR D 3 111 ? -25.21067 -42.36520 31.81130 1.000 22.80101 ? 110 TYR I HE2 1 ATOM 5732 H HH . TYR D 3 111 ? -23.39230 -41.19848 29.29129 1.000 23.01086 ? 110 TYR I HH 1 ATOM 5733 N N . SER D 3 112 ? -25.74259 -35.55553 35.12456 1.000 15.74854 ? 111 SER I N 1 ATOM 5734 C CA . SER D 3 112 ? -26.37698 -34.39860 35.72785 1.000 15.46196 ? 111 SER I CA 1 ATOM 5735 C C . SER D 3 112 ? -27.89499 -34.48691 35.82384 1.000 15.67074 ? 111 SER I C 1 ATOM 5736 O O . SER D 3 112 ? -28.48327 -33.97433 36.79430 1.000 16.97920 ? 111 SER I O 1 ATOM 5737 C CB . SER D 3 112 ? -26.06432 -33.16509 34.88773 1.000 17.75943 ? 111 SER I CB 1 ATOM 5738 O OG . SER D 3 112 ? -24.74697 -32.74590 35.00400 1.000 18.25558 ? 111 SER I OG 1 ATOM 5739 H H . SER D 3 112 ? -25.51942 -35.42140 34.30493 1.000 18.89501 ? 111 SER I H 1 ATOM 5740 H HA . SER D 3 112 ? -26.01975 -34.33370 36.62733 1.000 18.55112 ? 111 SER I HA 1 ATOM 5741 H HB2 . SER D 3 112 ? -26.23782 -33.37611 33.95699 1.000 21.30808 ? 111 SER I HB2 1 ATOM 5742 H HB3 . SER D 3 112 ? -26.64270 -32.44228 35.17742 1.000 21.30808 ? 111 SER I HB3 1 ATOM 5743 H HG . SER D 3 112 ? -24.22695 -33.37015 34.79074 1.000 21.90346 ? 111 SER I HG 1 ATOM 5744 N N . ASP D 3 113 ? -28.54722 -35.02924 34.80907 1.000 15.36260 ? 112 ASP I N 1 ATOM 5745 C CA . ASP D 3 113 ? -29.97788 -34.87789 34.62001 1.000 17.00789 ? 112 ASP I CA 1 ATOM 5746 C C . ASP D 3 113 ? -30.68980 -36.22297 34.56596 1.000 16.70522 ? 112 ASP I C 1 ATOM 5747 O O . ASP D 3 113 ? -30.14885 -37.22505 34.09535 1.000 17.39887 ? 112 ASP I O 1 ATOM 5748 C CB . ASP D 3 113 ? -30.30546 -34.14556 33.31370 1.000 18.29139 ? 112 ASP I CB 1 ATOM 5749 C CG . ASP D 3 113 ? -29.79295 -32.74592 33.26312 1.000 21.19898 ? 112 ASP I CG 1 ATOM 5750 O OD1 . ASP D 3 113 ? -29.58306 -32.12800 34.33136 1.000 22.72836 ? 112 ASP I OD1 1 ATOM 5751 O OD2 . ASP D 3 113 ? -29.60848 -32.22105 32.12489 1.000 24.42236 -1 112 ASP I OD2 1 ATOM 5752 H H . ASP D 3 113 ? -28.17061 -35.50372 34.19863 1.000 18.43190 ? 112 ASP I H 1 ATOM 5753 H HA . ASP D 3 113 ? -30.30949 -34.37683 35.38150 1.000 20.40624 ? 112 ASP I HA 1 ATOM 5754 H HB2 . ASP D 3 113 ? -29.90812 -34.63255 32.57488 1.000 21.94644 ? 112 ASP I HB2 1 ATOM 5755 H HB3 . ASP D 3 113 ? -31.26912 -34.11128 33.20841 1.000 21.94644 ? 112 ASP I HB3 1 ATOM 5756 N N . TYR D 3 114 ? -31.92620 -36.23003 35.05148 1.000 17.10789 ? 113 TYR I N 1 ATOM 5757 C CA . TYR D 3 114 ? -32.79036 -37.37951 34.89582 1.000 18.78656 ? 113 TYR I CA 1 ATOM 5758 C C . TYR D 3 114 ? -33.25327 -37.45080 33.45060 1.000 19.46553 ? 113 TYR I C 1 ATOM 5759 O O . TYR D 3 114 ? -33.72105 -36.45562 32.87770 1.000 21.69007 ? 113 TYR I O 1 ATOM 5760 C CB . TYR D 3 114 ? -34.00357 -37.19700 35.81236 1.000 20.72371 ? 113 TYR I CB 1 ATOM 5761 C CG . TYR D 3 114 ? -33.64335 -36.93761 37.26031 1.000 24.35727 ? 113 TYR I CG 1 ATOM 5762 C CD1 . TYR D 3 114 ? -32.64633 -37.65636 37.89417 1.000 26.68258 ? 113 TYR I CD1 1 ATOM 5763 C CD2 . TYR D 3 114 ? -34.30945 -35.96023 37.97104 1.000 25.30543 ? 113 TYR I CD2 1 ATOM 5764 C CE1 . TYR D 3 114 ? -32.33176 -37.41420 39.23699 1.000 28.23559 ? 113 TYR I CE1 1 ATOM 5765 C CE2 . TYR D 3 114 ? -34.01245 -35.71775 39.29610 1.000 26.06603 ? 113 TYR I CE2 1 ATOM 5766 C CZ . TYR D 3 114 ? -33.02183 -36.44348 39.91176 1.000 29.50831 ? 113 TYR I CZ 1 ATOM 5767 O OH . TYR D 3 114 ? -32.74011 -36.17669 41.25678 1.000 31.17314 ? 113 TYR I OH 1 ATOM 5768 H H . TYR D 3 114 ? -32.28616 -35.57507 35.47699 1.000 20.52624 ? 113 TYR I H 1 ATOM 5769 H HA . TYR D 3 114 ? -32.32906 -38.20131 35.12551 1.000 22.54064 ? 113 TYR I HA 1 ATOM 5770 H HB2 . TYR D 3 114 ? -34.52168 -36.44028 35.49638 1.000 24.86522 ? 113 TYR I HB2 1 ATOM 5771 H HB3 . TYR D 3 114 ? -34.54155 -38.00354 35.78137 1.000 24.86522 ? 113 TYR I HB3 1 ATOM 5772 H HD1 . TYR D 3 114 ? -32.17930 -38.30818 37.42309 1.000 32.01587 ? 113 TYR I HD1 1 ATOM 5773 H HD2 . TYR D 3 114 ? -34.96882 -35.45721 37.55019 1.000 30.36329 ? 113 TYR I HD2 1 ATOM 5774 H HE1 . TYR D 3 114 ? -31.66582 -37.90417 39.66285 1.000 33.87948 ? 113 TYR I HE1 1 ATOM 5775 H HE2 . TYR D 3 114 ? -34.47957 -35.06754 39.76931 1.000 31.27601 ? 113 TYR I HE2 1 ATOM 5776 H HH . TYR D 3 114 ? -32.09664 -36.65086 41.51506 1.000 37.40453 ? 113 TYR I HH 1 ATOM 5777 N N . TYR D 3 115 ? -33.12538 -38.62291 32.85634 1.000 17.07548 ? 114 TYR I N 1 ATOM 5778 C CA . TYR D 3 115 ? -33.61702 -38.82915 31.49250 1.000 16.55210 ? 114 TYR I CA 1 ATOM 5779 C C . TYR D 3 115 ? -33.87955 -40.31775 31.35730 1.000 15.47846 ? 114 TYR I C 1 ATOM 5780 O O . TYR D 3 115 ? -32.94813 -41.11799 31.41499 1.000 16.20210 ? 114 TYR I O 1 ATOM 5781 C CB . TYR D 3 115 ? -32.62220 -38.33813 30.44042 1.000 16.92809 ? 114 TYR I CB 1 ATOM 5782 C CG . TYR D 3 115 ? -33.24960 -38.22553 29.07054 1.000 17.82268 ? 114 TYR I CG 1 ATOM 5783 C CD1 . TYR D 3 115 ? -33.46695 -39.36295 28.29845 1.000 18.47264 ? 114 TYR I CD1 1 ATOM 5784 C CD2 . TYR D 3 115 ? -33.66753 -36.99092 28.56200 1.000 17.79394 ? 114 TYR I CD2 1 ATOM 5785 C CE1 . TYR D 3 115 ? -34.07764 -39.28080 27.04096 1.000 18.94004 ? 114 TYR I CE1 1 ATOM 5786 C CE2 . TYR D 3 115 ? -34.26999 -36.89842 27.29179 1.000 18.84593 ? 114 TYR I CE2 1 ATOM 5787 C CZ . TYR D 3 115 ? -34.45734 -38.05255 26.55941 1.000 16.79487 ? 114 TYR I CZ 1 ATOM 5788 O OH . TYR D 3 115 ? -35.06330 -38.00286 25.31121 1.000 19.41171 ? 114 TYR I OH 1 ATOM 5789 H H . TYR D 3 115 ? -32.76078 -39.31512 33.21343 1.000 20.48734 ? 114 TYR I H 1 ATOM 5790 H HA . TYR D 3 115 ? -34.44073 -38.33518 31.35684 1.000 19.85929 ? 114 TYR I HA 1 ATOM 5791 H HB2 . TYR D 3 115 ? -32.29528 -37.46156 30.69665 1.000 20.31047 ? 114 TYR I HB2 1 ATOM 5792 H HB3 . TYR D 3 115 ? -31.88357 -38.96439 30.38456 1.000 20.31047 ? 114 TYR I HB3 1 ATOM 5793 H HD1 . TYR D 3 115 ? -33.20172 -40.19287 28.62367 1.000 22.16393 ? 114 TYR I HD1 1 ATOM 5794 H HD2 . TYR D 3 115 ? -33.54601 -36.22097 29.06926 1.000 21.34950 ? 114 TYR I HD2 1 ATOM 5795 H HE1 . TYR D 3 115 ? -34.22426 -40.04920 26.53801 1.000 22.72482 ? 114 TYR I HE1 1 ATOM 5796 H HE2 . TYR D 3 115 ? -34.53657 -36.07431 26.95314 1.000 22.61189 ? 114 TYR I HE2 1 ATOM 5797 H HH . TYR D 3 115 ? -34.84303 -37.29691 24.91281 1.000 23.29082 ? 114 TYR I HH 1 ATOM 5798 N N . TYR D 3 116 ? -35.14546 -40.70045 31.20883 1.000 16.84095 ? 115 TYR I N 1 ATOM 5799 C CA . TYR D 3 116 ? -35.49696 -42.11686 31.15435 1.000 16.72542 ? 115 TYR I CA 1 ATOM 5800 C C . TYR D 3 116 ? -35.30051 -42.60711 29.73572 1.000 17.59367 ? 115 TYR I C 1 ATOM 5801 O O . TYR D 3 116 ? -35.97269 -42.13790 28.81817 1.000 18.76972 ? 115 TYR I O 1 ATOM 5802 C CB . TYR D 3 116 ? -36.91217 -42.34683 31.68894 1.000 16.92556 ? 115 TYR I CB 1 ATOM 5803 C CG . TYR D 3 116 ? -36.91101 -42.38059 33.22078 1.000 16.52218 ? 115 TYR I CG 1 ATOM 5804 C CD1 . TYR D 3 116 ? -36.80635 -41.21329 33.95272 1.000 18.03318 ? 115 TYR I CD1 1 ATOM 5805 C CD2 . TYR D 3 116 ? -36.99221 -43.58070 33.90743 1.000 17.19632 ? 115 TYR I CD2 1 ATOM 5806 C CE1 . TYR D 3 116 ? -36.77313 -41.23322 35.35255 1.000 19.50506 ? 115 TYR I CE1 1 ATOM 5807 C CE2 . TYR D 3 116 ? -36.97928 -43.62022 35.29791 1.000 18.04937 ? 115 TYR I CE2 1 ATOM 5808 C CZ . TYR D 3 116 ? -36.86196 -42.44395 36.00347 1.000 19.10704 ? 115 TYR I CZ 1 ATOM 5809 O OH . TYR D 3 116 ? -36.81373 -42.46828 37.39831 1.000 19.79608 ? 115 TYR I OH 1 ATOM 5810 H H . TYR D 3 116 ? -35.81328 -40.16324 31.13799 1.000 20.20591 ? 115 TYR I H 1 ATOM 5811 H HA . TYR D 3 116 ? -34.90433 -42.63321 31.72274 1.000 20.06727 ? 115 TYR I HA 1 ATOM 5812 H HB2 . TYR D 3 116 ? -37.49044 -41.62531 31.39581 1.000 20.30744 ? 115 TYR I HB2 1 ATOM 5813 H HB3 . TYR D 3 116 ? -37.24841 -43.19554 31.36103 1.000 20.30744 ? 115 TYR I HB3 1 ATOM 5814 H HD1 . TYR D 3 116 ? -36.75700 -40.39854 33.50703 1.000 21.63658 ? 115 TYR I HD1 1 ATOM 5815 H HD2 . TYR D 3 116 ? -37.05665 -44.37586 33.42944 1.000 20.63235 ? 115 TYR I HD2 1 ATOM 5816 H HE1 . TYR D 3 116 ? -36.69243 -40.44211 35.83476 1.000 23.40284 ? 115 TYR I HE1 1 ATOM 5817 H HE2 . TYR D 3 116 ? -37.04910 -44.43223 35.74586 1.000 21.65601 ? 115 TYR I HE2 1 ATOM 5818 H HH . TYR D 3 116 ? -36.67498 -43.25184 37.66735 1.000 23.75207 ? 115 TYR I HH 1 ATOM 5819 N N . TYR D 3 117 ? -34.33201 -43.48913 29.57739 1.000 16.50415 ? 116 TYR I N 1 ATOM 5820 C CA . TYR D 3 117 ? -33.90718 -44.06530 28.31600 1.000 16.06596 ? 116 TYR I CA 1 ATOM 5821 C C . TYR D 3 117 ? -34.69552 -45.35366 28.07950 1.000 16.40593 ? 116 TYR I C 1 ATOM 5822 O O . TYR D 3 117 ? -35.72101 -45.60140 28.72389 1.000 18.01522 ? 116 TYR I O 1 ATOM 5823 C CB . TYR D 3 117 ? -32.39762 -44.27336 28.41717 1.000 16.98598 ? 116 TYR I CB 1 ATOM 5824 C CG . TYR D 3 117 ? -31.62723 -44.56742 27.15369 1.000 20.11129 ? 116 TYR I CG 1 ATOM 5825 C CD1 . TYR D 3 117 ? -31.71882 -43.76629 26.04292 1.000 23.13317 ? 116 TYR I CD1 1 ATOM 5826 C CD2 . TYR D 3 117 ? -30.76343 -45.64890 27.11350 1.000 23.12034 ? 116 TYR I CD2 1 ATOM 5827 C CE1 . TYR D 3 117 ? -30.97094 -44.04699 24.90639 1.000 25.12960 ? 116 TYR I CE1 1 ATOM 5828 C CE2 . TYR D 3 117 ? -30.03880 -45.94663 26.01034 1.000 24.66678 ? 116 TYR I CE2 1 ATOM 5829 C CZ . TYR D 3 117 ? -30.14251 -45.14325 24.91483 1.000 25.10808 ? 116 TYR I CZ 1 ATOM 5830 O OH . TYR D 3 117 ? -29.38749 -45.47170 23.79930 1.000 27.15430 ? 116 TYR I OH 1 ATOM 5831 H H . TYR D 3 117 ? -33.86956 -43.79379 30.23536 1.000 19.80175 ? 116 TYR I H 1 ATOM 5832 H HA . TYR D 3 117 ? -34.09729 -43.48158 27.56498 1.000 19.27592 ? 116 TYR I HA 1 ATOM 5833 H HB2 . TYR D 3 117 ? -32.01429 -43.46512 28.79229 1.000 20.37995 ? 116 TYR I HB2 1 ATOM 5834 H HB3 . TYR D 3 117 ? -32.24375 -45.02182 29.01469 1.000 20.37995 ? 116 TYR I HB3 1 ATOM 5835 H HD1 . TYR D 3 117 ? -32.28624 -43.02949 26.05125 1.000 27.75658 ? 116 TYR I HD1 1 ATOM 5836 H HD2 . TYR D 3 117 ? -30.67880 -46.18679 27.86744 1.000 27.74118 ? 116 TYR I HD2 1 ATOM 5837 H HE1 . TYR D 3 117 ? -31.02982 -43.50332 24.15416 1.000 30.15229 ? 116 TYR I HE1 1 ATOM 5838 H HE2 . TYR D 3 117 ? -29.47826 -46.68864 26.00002 1.000 29.59690 ? 116 TYR I HE2 1 ATOM 5839 H HH . TYR D 3 117 ? -28.95687 -46.17870 23.94185 1.000 32.58193 ? 116 TYR I HH 1 ATOM 5840 N N . TYR D 3 118 ? -34.27633 -46.17832 27.11747 1.000 17.34349 ? 117 TYR I N 1 ATOM 5841 C CA . TYR D 3 118 ? -35.08720 -47.35419 26.86160 1.000 18.57526 ? 117 TYR I CA 1 ATOM 5842 C C . TYR D 3 118 ? -34.92657 -48.36786 27.98911 1.000 17.01342 ? 117 TYR I C 1 ATOM 5843 O O . TYR D 3 118 ? -33.96560 -48.35550 28.76916 1.000 17.88388 ? 117 TYR I O 1 ATOM 5844 C CB . TYR D 3 118 ? -34.77985 -47.95521 25.49628 1.000 20.44000 ? 117 TYR I CB 1 ATOM 5845 C CG . TYR D 3 118 ? -33.57047 -48.85452 25.37533 1.000 21.27467 ? 117 TYR I CG 1 ATOM 5846 C CD1 . TYR D 3 118 ? -32.32209 -48.34079 25.11253 1.000 22.54753 ? 117 TYR I CD1 1 ATOM 5847 C CD2 . TYR D 3 118 ? -33.71377 -50.24334 25.43715 1.000 21.63845 ? 117 TYR I CD2 1 ATOM 5848 C CE1 . TYR D 3 118 ? -31.21320 -49.18453 24.96533 1.000 23.39451 ? 117 TYR I CE1 1 ATOM 5849 C CE2 . TYR D 3 118 ? -32.63929 -51.08071 25.27954 1.000 23.44752 ? 117 TYR I CE2 1 ATOM 5850 C CZ . TYR D 3 118 ? -31.39363 -50.54466 25.04525 1.000 24.13635 ? 117 TYR I CZ 1 ATOM 5851 O OH . TYR D 3 118 ? -30.32311 -51.40581 24.88459 1.000 27.27649 ? 117 TYR I OH 1 ATOM 5852 H H . TYR D 3 118 ? -33.57178 -46.08040 26.63413 1.000 20.80895 ? 117 TYR I H 1 ATOM 5853 H HA . TYR D 3 118 ? -36.02448 -47.10577 26.83508 1.000 22.28708 ? 117 TYR I HA 1 ATOM 5854 H HB2 . TYR D 3 118 ? -35.54735 -48.48327 25.22611 1.000 24.52477 ? 117 TYR I HB2 1 ATOM 5855 H HB3 . TYR D 3 118 ? -34.64540 -47.22303 24.87439 1.000 24.52477 ? 117 TYR I HB3 1 ATOM 5856 H HD1 . TYR D 3 118 ? -32.21244 -47.42084 25.03142 1.000 27.05380 ? 117 TYR I HD1 1 ATOM 5857 H HD2 . TYR D 3 118 ? -34.55602 -50.60751 25.58844 1.000 25.96291 ? 117 TYR I HD2 1 ATOM 5858 H HE1 . TYR D 3 118 ? -30.36691 -48.82916 24.81564 1.000 28.07018 ? 117 TYR I HE1 1 ATOM 5859 H HE2 . TYR D 3 118 ? -32.75138 -52.00252 25.33052 1.000 28.13380 ? 117 TYR I HE2 1 ATOM 5860 H HH . TYR D 3 118 ? -30.09957 -51.43846 24.07553 1.000 32.72856 ? 117 TYR I HH 1 ATOM 5861 N N . MET D 3 119 ? -35.90737 -49.22218 28.08781 1.000 17.51252 ? 118 MET I N 1 ATOM 5862 C CA . MET D 3 119 ? -36.04947 -50.17334 29.18215 1.000 17.86593 ? 118 MET I CA 1 ATOM 5863 C C . MET D 3 119 ? -35.66562 -51.55579 28.67310 1.000 17.71452 ? 118 MET I C 1 ATOM 5864 O O . MET D 3 119 ? -36.40769 -52.16727 27.89481 1.000 17.66564 ? 118 MET I O 1 ATOM 5865 C CB . MET D 3 119 ? -37.48569 -50.12563 29.69775 1.000 18.58167 ? 118 MET I CB 1 ATOM 5866 C CG . MET D 3 119 ? -37.83081 -48.74387 30.27448 1.000 21.03399 ? 118 MET I CG 1 ATOM 5867 S SD . MET D 3 119 ? -39.57585 -48.58558 30.71106 1.000 23.20543 ? 118 MET I SD 1 ATOM 5868 C CE . MET D 3 119 ? -39.78950 -46.81500 30.86941 1.000 23.97084 ? 118 MET I CE 1 ATOM 5869 H H . MET D 3 119 ? -36.54118 -49.28252 27.50968 1.000 21.01179 ? 118 MET I H 1 ATOM 5870 H HA . MET D 3 119 ? -35.45150 -49.94918 29.91228 1.000 21.43589 ? 118 MET I HA 1 ATOM 5871 H HB2 . MET D 3 119 ? -38.09513 -50.31274 28.96668 1.000 22.29477 ? 118 MET I HB2 1 ATOM 5872 H HB3 . MET D 3 119 ? -37.59651 -50.78619 30.39938 1.000 22.29477 ? 118 MET I HB3 1 ATOM 5873 H HG2 . MET D 3 119 ? -37.30620 -48.59624 31.07691 1.000 25.23755 ? 118 MET I HG2 1 ATOM 5874 H HG3 . MET D 3 119 ? -37.62414 -48.06479 29.61339 1.000 25.23755 ? 118 MET I HG3 1 ATOM 5875 H HE1 . MET D 3 119 ? -40.68892 -46.63227 31.18332 1.000 28.76178 ? 118 MET I HE1 1 ATOM 5876 H HE2 . MET D 3 119 ? -39.14147 -46.47438 31.50574 1.000 28.76178 ? 118 MET I HE2 1 ATOM 5877 H HE3 . MET D 3 119 ? -39.65116 -46.40148 30.00294 1.000 28.76178 ? 118 MET I HE3 1 ATOM 5878 N N . ASP D 3 120 ? -34.49789 -52.04631 29.10150 1.000 18.10012 ? 119 ASP I N 1 ATOM 5879 C CA . ASP D 3 120 ? -33.97849 -53.28807 28.54392 1.000 19.38031 ? 119 ASP I CA 1 ATOM 5880 C C . ASP D 3 120 ? -34.49913 -54.52591 29.27391 1.000 22.17187 ? 119 ASP I C 1 ATOM 5881 O O . ASP D 3 120 ? -34.98682 -55.46531 28.63601 1.000 28.01565 ? 119 ASP I O 1 ATOM 5882 C CB . ASP D 3 120 ? -32.44034 -53.24842 28.41614 1.000 20.73546 ? 119 ASP I CB 1 ATOM 5883 C CG . ASP D 3 120 ? -31.68926 -53.01200 29.72474 1.000 21.96901 ? 119 ASP I CG 1 ATOM 5884 O OD1 . ASP D 3 120 ? -32.26719 -52.72306 30.78369 1.000 22.21287 ? 119 ASP I OD1 1 ATOM 5885 O OD2 . ASP D 3 120 ? -30.43547 -53.13437 29.68518 1.000 23.35769 -1 119 ASP I OD2 1 ATOM 5886 H H . ASP D 3 120 ? -34.00151 -51.68228 29.70207 1.000 21.71691 ? 119 ASP I H 1 ATOM 5887 H HA . ASP D 3 120 ? -34.29879 -53.37278 27.63226 1.000 23.25314 ? 119 ASP I HA 1 ATOM 5888 H HB2 . ASP D 3 120 ? -32.13965 -54.09842 28.05839 1.000 24.87932 ? 119 ASP I HB2 1 ATOM 5889 H HB3 . ASP D 3 120 ? -32.20071 -52.52997 27.81007 1.000 24.87932 ? 119 ASP I HB3 1 ATOM 5890 N N . VAL D 3 121 ? -34.45737 -54.53270 30.59885 1.000 20.18718 ? 120 VAL I N 1 ATOM 5891 C CA . VAL D 3 121 ? -34.81189 -55.69991 31.38910 1.000 19.54838 ? 120 VAL I CA 1 ATOM 5892 C C . VAL D 3 121 ? -36.14833 -55.42166 32.04879 1.000 18.07896 ? 120 VAL I C 1 ATOM 5893 O O . VAL D 3 121 ? -36.30686 -54.41429 32.74829 1.000 20.37693 ? 120 VAL I O 1 ATOM 5894 C CB . VAL D 3 121 ? -33.73178 -56.00412 32.43672 1.000 19.44876 ? 120 VAL I CB 1 ATOM 5895 C CG1 . VAL D 3 121 ? -34.12735 -57.22784 33.26025 1.000 20.98137 ? 120 VAL I CG1 1 ATOM 5896 C CG2 . VAL D 3 121 ? -32.38652 -56.23608 31.75638 1.000 22.17947 ? 120 VAL I CG2 1 ATOM 5897 H H . VAL D 3 121 ? -34.22069 -53.85538 31.07300 1.000 24.22138 ? 120 VAL I H 1 ATOM 5898 H HA . VAL D 3 121 ? -34.90647 -56.47499 30.81359 1.000 23.45482 ? 120 VAL I HA 1 ATOM 5899 H HB . VAL D 3 121 ? -33.64578 -55.24516 33.03461 1.000 23.33528 ? 120 VAL I HB 1 ATOM 5900 H HG11 . VAL D 3 121 ? -33.44723 -57.38920 33.93278 1.000 25.17441 ? 120 VAL I HG11 1 ATOM 5901 H HG12 . VAL D 3 121 ? -34.98146 -57.05824 33.68761 1.000 25.17441 ? 120 VAL I HG12 1 ATOM 5902 H HG13 . VAL D 3 121 ? -34.19877 -57.99523 32.67126 1.000 25.17441 ? 120 VAL I HG13 1 ATOM 5903 H HG21 . VAL D 3 121 ? -31.72167 -56.44009 32.43258 1.000 26.61214 ? 120 VAL I HG21 1 ATOM 5904 H HG22 . VAL D 3 121 ? -32.46901 -56.97944 31.13872 1.000 26.61214 ? 120 VAL I HG22 1 ATOM 5905 H HG23 . VAL D 3 121 ? -32.13329 -55.43278 31.27525 1.000 26.61214 ? 120 VAL I HG23 1 ATOM 5906 N N . TRP D 3 122 ? -37.10355 -56.30802 31.82634 1.000 19.28449 ? 121 TRP I N 1 ATOM 5907 C CA . TRP D 3 122 ? -38.43730 -56.18114 32.38682 1.000 20.29881 ? 121 TRP I CA 1 ATOM 5908 C C . TRP D 3 122 ? -38.70399 -57.34289 33.33268 1.000 20.61515 ? 121 TRP I C 1 ATOM 5909 O O . TRP D 3 122 ? -38.30036 -58.48045 33.07186 1.000 20.93109 ? 121 TRP I O 1 ATOM 5910 C CB . TRP D 3 122 ? -39.49824 -56.20050 31.25644 1.000 19.85143 ? 121 TRP I CB 1 ATOM 5911 C CG . TRP D 3 122 ? -39.48982 -54.96211 30.38370 1.000 18.79537 ? 121 TRP I CG 1 ATOM 5912 C CD1 . TRP D 3 122 ? -38.51588 -54.57711 29.51184 1.000 18.77626 ? 121 TRP I CD1 1 ATOM 5913 C CD2 . TRP D 3 122 ? -40.52149 -53.97148 30.29428 1.000 18.08553 ? 121 TRP I CD2 1 ATOM 5914 N NE1 . TRP D 3 122 ? -38.86415 -53.40280 28.90813 1.000 18.98404 ? 121 TRP I NE1 1 ATOM 5915 C CE2 . TRP D 3 122 ? -40.09402 -53.00895 29.35688 1.000 18.96257 ? 121 TRP I CE2 1 ATOM 5916 C CE3 . TRP D 3 122 ? -41.75374 -53.80515 30.92183 1.000 18.37470 ? 121 TRP I CE3 1 ATOM 5917 C CZ2 . TRP D 3 122 ? -40.85274 -51.89196 29.02853 1.000 18.29926 ? 121 TRP I CZ2 1 ATOM 5918 C CZ3 . TRP D 3 122 ? -42.50594 -52.70048 30.60686 1.000 18.37748 ? 121 TRP I CZ3 1 ATOM 5919 C CH2 . TRP D 3 122 ? -42.06249 -51.75460 29.66234 1.000 17.94550 ? 121 TRP I CH2 1 ATOM 5920 H H . TRP D 3 122 ? -37.00049 -57.01039 31.34090 1.000 23.13816 ? 121 TRP I H 1 ATOM 5921 H HA . TRP D 3 122 ? -38.50856 -55.35105 32.88359 1.000 24.35534 ? 121 TRP I HA 1 ATOM 5922 H HB2 . TRP D 3 122 ? -39.32978 -56.96571 30.68462 1.000 23.81849 ? 121 TRP I HB2 1 ATOM 5923 H HB3 . TRP D 3 122 ? -40.37861 -56.27321 31.65715 1.000 23.81849 ? 121 TRP I HB3 1 ATOM 5924 H HD1 . TRP D 3 122 ? -37.72879 -55.04576 29.35137 1.000 22.52828 ? 121 TRP I HD1 1 ATOM 5925 H HE1 . TRP D 3 122 ? -38.38456 -52.97729 28.33495 1.000 22.77762 ? 121 TRP I HE1 1 ATOM 5926 H HE3 . TRP D 3 122 ? -42.06020 -54.42837 31.54036 1.000 22.04641 ? 121 TRP I HE3 1 ATOM 5927 H HZ2 . TRP D 3 122 ? -40.55468 -51.26652 28.40814 1.000 21.95588 ? 121 TRP I HZ2 1 ATOM 5928 H HZ3 . TRP D 3 122 ? -43.32623 -52.57411 31.02644 1.000 22.04975 ? 121 TRP I HZ3 1 ATOM 5929 H HH2 . TRP D 3 122 ? -42.60017 -51.02215 29.46406 1.000 21.53138 ? 121 TRP I HH2 1 ATOM 5930 N N . GLY D 3 123 ? -39.37586 -57.05397 34.43379 1.000 20.36552 ? 122 GLY I N 1 ATOM 5931 C CA . GLY D 3 123 ? -39.95445 -58.10246 35.25513 1.000 19.90438 ? 122 GLY I CA 1 ATOM 5932 C C . GLY D 3 123 ? -41.08235 -58.81274 34.51546 1.000 20.09319 ? 122 GLY I C 1 ATOM 5933 O O . GLY D 3 123 ? -41.51950 -58.41060 33.42353 1.000 20.35690 ? 122 GLY I O 1 ATOM 5934 H H . GLY D 3 123 ? -39.51170 -56.25758 34.72859 1.000 24.43540 ? 122 GLY I H 1 ATOM 5935 H HA2 . GLY D 3 123 ? -39.27218 -58.75330 35.48273 1.000 23.88202 ? 122 GLY I HA2 1 ATOM 5936 H HA3 . GLY D 3 123 ? -40.31006 -57.71891 36.07204 1.000 23.88202 ? 122 GLY I HA3 1 ATOM 5937 N N . GLN D 3 124 ? -41.55055 -59.90416 35.12301 1.000 19.95134 ? 123 GLN I N 1 ATOM 5938 C CA . GLN D 3 124 ? -42.57349 -60.73314 34.49597 1.000 21.32961 ? 123 GLN I CA 1 ATOM 5939 C C . GLN D 3 124 ? -43.97455 -60.16589 34.66192 1.000 21.33809 ? 123 GLN I C 1 ATOM 5940 O O . GLN D 3 124 ? -44.91839 -60.71481 34.07958 1.000 23.13718 ? 123 GLN I O 1 ATOM 5941 C CB . GLN D 3 124 ? -42.50976 -62.17663 35.03235 1.000 22.98553 ? 123 GLN I CB 1 ATOM 5942 C CG . GLN D 3 124 ? -43.27350 -62.43448 36.33334 1.000 23.96580 ? 123 GLN I CG 1 ATOM 5943 C CD . GLN D 3 124 ? -42.49264 -62.05596 37.58863 1.000 23.37275 ? 123 GLN I CD 1 ATOM 5944 O OE1 . GLN D 3 124 ? -41.54472 -61.25686 37.54678 1.000 23.31410 ? 123 GLN I OE1 1 ATOM 5945 N NE2 . GLN D 3 124 ? -42.88266 -62.63972 38.70918 1.000 27.08797 ? 123 GLN I NE2 1 ATOM 5946 H H . GLN D 3 124 ? -41.29175 -60.18226 35.89456 1.000 23.93837 ? 123 GLN I H 1 ATOM 5947 H HA . GLN D 3 124 ? -42.39066 -60.78198 33.54460 1.000 25.59230 ? 123 GLN I HA 1 ATOM 5948 H HB2 . GLN D 3 124 ? -42.88022 -62.76827 34.35883 1.000 27.57940 ? 123 GLN I HB2 1 ATOM 5949 H HB3 . GLN D 3 124 ? -41.57999 -62.40013 35.19507 1.000 27.57940 ? 123 GLN I HB3 1 ATOM 5950 H HG2 . GLN D 3 124 ? -44.09083 -61.91218 36.32459 1.000 28.75573 ? 123 GLN I HG2 1 ATOM 5951 H HG3 . GLN D 3 124 ? -43.48433 -63.37960 36.38980 1.000 28.75573 ? 123 GLN I HG3 1 ATOM 5952 H HE21 . GLN D 3 124 ? -43.53973 -63.19448 38.69890 1.000 32.50234 ? 123 GLN I HE21 1 ATOM 5953 H HE22 . GLN D 3 124 ? -42.47925 -62.46462 39.44823 1.000 32.50234 ? 123 GLN I HE22 1 ATOM 5954 N N . GLY D 3 125 ? -44.12617 -59.11203 35.44557 1.000 20.95365 ? 124 GLY I N 1 ATOM 5955 C CA . GLY D 3 125 ? -45.41670 -58.49075 35.69278 1.000 21.09144 ? 124 GLY I CA 1 ATOM 5956 C C . GLY D 3 125 ? -46.11991 -59.07283 36.90227 1.000 22.06387 ? 124 GLY I C 1 ATOM 5957 O O . GLY D 3 125 ? -45.93984 -60.23049 37.27238 1.000 24.19972 ? 124 GLY I O 1 ATOM 5958 H H . GLY D 3 125 ? -43.47925 -58.72472 35.85920 1.000 25.14116 ? 124 GLY I H 1 ATOM 5959 H HA2 . GLY D 3 125 ? -45.29163 -57.54031 35.84086 1.000 25.30649 ? 124 GLY I HA2 1 ATOM 5960 H HA3 . GLY D 3 125 ? -45.98685 -58.61735 34.91831 1.000 25.30649 ? 124 GLY I HA3 1 ATOM 5961 N N . THR D 3 126 ? -46.92216 -58.22821 37.54284 1.000 20.42879 ? 125 THR I N 1 ATOM 5962 C CA . THR D 3 126 ? -47.77579 -58.59594 38.66604 1.000 20.47592 ? 125 THR I CA 1 ATOM 5963 C C . THR D 3 126 ? -49.16989 -58.07455 38.35346 1.000 20.76273 ? 125 THR I C 1 ATOM 5964 O O . THR D 3 126 ? -49.36365 -56.86229 38.21224 1.000 19.94927 ? 125 THR I O 1 ATOM 5965 C CB . THR D 3 126 ? -47.26973 -57.92404 39.94728 1.000 21.36046 ? 125 THR I CB 1 ATOM 5966 O OG1 . THR D 3 126 ? -45.93358 -58.34714 40.22694 1.000 22.67237 ? 125 THR I OG1 1 ATOM 5967 C CG2 . THR D 3 126 ? -48.18347 -58.27171 41.12879 1.000 23.29087 ? 125 THR I CG2 1 ATOM 5968 H H . THR D 3 126 ? -46.99226 -57.39675 37.33460 1.000 24.51131 ? 125 THR I H 1 ATOM 5969 H HA . THR D 3 126 ? -47.79508 -59.55837 38.78541 1.000 24.56788 ? 125 THR I HA 1 ATOM 5970 H HB . THR D 3 126 ? -47.27455 -56.96106 39.83095 1.000 25.62932 ? 125 THR I HB 1 ATOM 5971 H HG1 . THR D 3 126 ? -45.92638 -59.16313 40.42619 1.000 27.20362 ? 125 THR I HG1 1 ATOM 5972 H HG21 . THR D 3 126 ? -47.78071 -57.97246 41.95893 1.000 27.94581 ? 125 THR I HG21 1 ATOM 5973 H HG22 . THR D 3 126 ? -49.04401 -57.83706 41.02178 1.000 27.94581 ? 125 THR I HG22 1 ATOM 5974 H HG23 . THR D 3 126 ? -48.31870 -59.23124 41.17246 1.000 27.94581 ? 125 THR I HG23 1 ATOM 5975 N N . LEU D 3 127 ? -50.13525 -58.97509 38.26045 1.000 22.27355 ? 126 LEU I N 1 ATOM 5976 C CA . LEU D 3 127 ? -51.51980 -58.56523 38.10014 1.000 23.06506 ? 126 LEU I CA 1 ATOM 5977 C C . LEU D 3 127 ? -52.07505 -58.13497 39.44864 1.000 21.52615 ? 126 LEU I C 1 ATOM 5978 O O . LEU D 3 127 ? -51.97652 -58.86390 40.43376 1.000 22.86786 ? 126 LEU I O 1 ATOM 5979 C CB . LEU D 3 127 ? -52.34666 -59.72009 37.53657 1.000 24.57105 ? 126 LEU I CB 1 ATOM 5980 C CG . LEU D 3 127 ? -53.83175 -59.42138 37.30845 1.000 26.03380 ? 126 LEU I CG 1 ATOM 5981 C CD1 . LEU D 3 127 ? -54.05724 -58.31129 36.28791 1.000 24.85497 ? 126 LEU I CD1 1 ATOM 5982 C CD2 . LEU D 3 127 ? -54.56467 -60.69521 36.90007 1.000 33.84448 ? 126 LEU I CD2 1 ATOM 5983 H H . LEU D 3 127 ? -50.01513 -59.82623 38.28726 1.000 26.72503 ? 126 LEU I H 1 ATOM 5984 H HA . LEU D 3 127 ? -51.57686 -57.81909 37.48296 1.000 27.67484 ? 126 LEU I HA 1 ATOM 5985 H HB2 . LEU D 3 127 ? -51.96849 -59.97530 36.68056 1.000 29.48203 ? 126 LEU I HB2 1 ATOM 5986 H HB3 . LEU D 3 127 ? -52.29354 -60.46335 38.15757 1.000 29.48203 ? 126 LEU I HB3 1 ATOM 5987 H HG . LEU D 3 127 ? -54.20439 -59.09853 38.14380 1.000 31.23733 ? 126 LEU I HG 1 ATOM 5988 H HD11 . LEU D 3 127 ? -55.01075 -58.16631 36.18448 1.000 29.82273 ? 126 LEU I HD11 1 ATOM 5989 H HD12 . LEU D 3 127 ? -53.63171 -57.49941 36.60521 1.000 29.82273 ? 126 LEU I HD12 1 ATOM 5990 H HD13 . LEU D 3 127 ? -53.66937 -58.57836 35.43990 1.000 29.82273 ? 126 LEU I HD13 1 ATOM 5991 H HD21 . LEU D 3 127 ? -55.50670 -60.49450 36.78514 1.000 40.61014 ? 126 LEU I HD21 1 ATOM 5992 H HD22 . LEU D 3 127 ? -54.19162 -61.02057 36.06588 1.000 40.61014 ? 126 LEU I HD22 1 ATOM 5993 H HD23 . LEU D 3 127 ? -54.45094 -61.36176 37.59554 1.000 40.61014 ? 126 LEU I HD23 1 ATOM 5994 N N . VAL D 3 128 ? -52.65151 -56.94510 39.49508 1.000 19.85808 ? 127 VAL I N 1 ATOM 5995 C CA . VAL D 3 128 ? -53.40418 -56.47124 40.65049 1.000 19.74370 ? 127 VAL I CA 1 ATOM 5996 C C . VAL D 3 128 ? -54.84507 -56.26887 40.18761 1.000 20.04308 ? 127 VAL I C 1 ATOM 5997 O O . VAL D 3 128 ? -55.09620 -55.54369 39.21243 1.000 20.73833 ? 127 VAL I O 1 ATOM 5998 C CB . VAL D 3 128 ? -52.82561 -55.16429 41.22655 1.000 21.41417 ? 127 VAL I CB 1 ATOM 5999 C CG1 . VAL D 3 128 ? -53.67274 -54.68753 42.40770 1.000 22.44088 ? 127 VAL I CG1 1 ATOM 6000 C CG2 . VAL D 3 128 ? -51.37959 -55.37247 41.64435 1.000 21.89987 ? 127 VAL I CG2 1 ATOM 6001 H H . VAL D 3 128 ? -52.62096 -56.37568 38.85132 1.000 23.82646 ? 127 VAL I H 1 ATOM 6002 H HA . VAL D 3 128 ? -53.37968 -57.13671 41.35579 1.000 23.68922 ? 127 VAL I HA 1 ATOM 6003 H HB . VAL D 3 128 ? -52.84577 -54.47423 40.54515 1.000 25.69377 ? 127 VAL I HB 1 ATOM 6004 H HG11 . VAL D 3 128 ? -53.20455 -53.97031 42.86300 1.000 26.92582 ? 127 VAL I HG11 1 ATOM 6005 H HG12 . VAL D 3 128 ? -54.52587 -54.36708 42.07548 1.000 26.92582 ? 127 VAL I HG12 1 ATOM 6006 H HG13 . VAL D 3 128 ? -53.81245 -55.42994 43.01616 1.000 26.92582 ? 127 VAL I HG13 1 ATOM 6007 H HG21 . VAL D 3 128 ? -51.03430 -54.54343 42.01092 1.000 26.27661 ? 127 VAL I HG21 1 ATOM 6008 H HG22 . VAL D 3 128 ? -51.34235 -56.07177 42.31554 1.000 26.27661 ? 127 VAL I HG22 1 ATOM 6009 H HG23 . VAL D 3 128 ? -50.86053 -55.63200 40.86710 1.000 26.27661 ? 127 VAL I HG23 1 ATOM 6010 N N . THR D 3 129 ? -55.78608 -56.92658 40.86959 1.000 20.70593 ? 128 THR I N 1 ATOM 6011 C CA . THR D 3 129 ? -57.19574 -56.80738 40.54499 1.000 20.50189 ? 128 THR I CA 1 ATOM 6012 C C . THR D 3 129 ? -57.88471 -56.15606 41.72633 1.000 20.82197 ? 128 THR I C 1 ATOM 6013 O O . THR D 3 129 ? -57.72981 -56.61135 42.86635 1.000 22.19269 ? 128 THR I O 1 ATOM 6014 C CB . THR D 3 129 ? -57.82637 -58.17429 40.27266 1.000 20.67858 ? 128 THR I CB 1 ATOM 6015 O OG1 . THR D 3 129 ? -57.12655 -58.80480 39.19746 1.000 23.50935 ? 128 THR I OG1 1 ATOM 6016 C CG2 . THR D 3 129 ? -59.28843 -58.02090 39.86874 1.000 22.92623 ? 128 THR I CG2 1 ATOM 6017 H H . THR D 3 129 ? -55.62311 -57.45194 41.53068 1.000 24.84389 ? 128 THR I H 1 ATOM 6018 H HA . THR D 3 129 ? -57.30983 -56.26224 39.75082 1.000 24.59904 ? 128 THR I HA 1 ATOM 6019 H HB . THR D 3 129 ? -57.77854 -58.71744 41.07491 1.000 24.81107 ? 128 THR I HB 1 ATOM 6020 H HG1 . THR D 3 129 ? -56.30604 -58.84461 39.37290 1.000 28.20799 ? 128 THR I HG1 1 ATOM 6021 H HG21 . THR D 3 129 ? -59.60905 -58.84256 39.46503 1.000 27.50824 ? 128 THR I HG21 1 ATOM 6022 H HG22 . THR D 3 129 ? -59.82907 -57.82172 40.64909 1.000 27.50824 ? 128 THR I HG22 1 ATOM 6023 H HG23 . THR D 3 129 ? -59.38166 -57.29827 39.22840 1.000 27.50824 ? 128 THR I HG23 1 ATOM 6024 N N . VAL D 3 130 ? -58.62310 -55.09194 41.45733 1.000 21.45841 ? 129 VAL I N 1 ATOM 6025 C CA . VAL D 3 130 ? -59.36209 -54.37766 42.49352 1.000 21.75277 ? 129 VAL I CA 1 ATOM 6026 C C . VAL D 3 130 ? -60.82404 -54.73933 42.32740 1.000 22.36668 ? 129 VAL I C 1 ATOM 6027 O O . VAL D 3 130 ? -61.38778 -54.56990 41.23921 1.000 23.81427 ? 129 VAL I O 1 ATOM 6028 C CB . VAL D 3 130 ? -59.15272 -52.86221 42.41009 1.000 22.18303 ? 129 VAL I CB 1 ATOM 6029 C CG1 . VAL D 3 130 ? -59.83704 -52.16940 43.56413 1.000 22.09978 ? 129 VAL I CG1 1 ATOM 6030 C CG2 . VAL D 3 130 ? -57.65622 -52.55943 42.39163 1.000 22.79948 ? 129 VAL I CG2 1 ATOM 6031 H H . VAL D 3 130 ? -58.71500 -54.75711 40.67053 1.000 25.74686 ? 129 VAL I H 1 ATOM 6032 H HA . VAL D 3 130 ? -59.06100 -54.66916 43.36832 1.000 26.10009 ? 129 VAL I HA 1 ATOM 6033 H HB . VAL D 3 130 ? -59.54694 -52.51917 41.59289 1.000 26.61641 ? 129 VAL I HB 1 ATOM 6034 H HG11 . VAL D 3 130 ? -59.20883 -51.56200 43.98521 1.000 26.51651 ? 129 VAL I HG11 1 ATOM 6035 H HG12 . VAL D 3 130 ? -60.13113 -52.83681 44.20363 1.000 26.51651 ? 129 VAL I HG12 1 ATOM 6036 H HG13 . VAL D 3 130 ? -60.60053 -51.67469 43.22760 1.000 26.51651 ? 129 VAL I HG13 1 ATOM 6037 H HG21 . VAL D 3 130 ? -57.52713 -51.60059 42.46146 1.000 27.35615 ? 129 VAL I HG21 1 ATOM 6038 H HG22 . VAL D 3 130 ? -57.23447 -53.00553 43.14264 1.000 27.35615 ? 129 VAL I HG22 1 ATOM 6039 H HG23 . VAL D 3 130 ? -57.27853 -52.88429 41.55933 1.000 27.35615 ? 129 VAL I HG23 1 ATOM 6040 N N . SER D 3 131 ? -61.43548 -55.25599 43.39008 1.000 22.99933 ? 130 SER I N 1 ATOM 6041 C CA . SER D 3 131 ? -62.82874 -55.68628 43.30183 1.000 25.01756 ? 130 SER I CA 1 ATOM 6042 C C . SER D 3 131 ? -63.76415 -54.47133 43.33909 1.000 27.42272 ? 130 SER I C 1 ATOM 6043 O O . SER D 3 131 ? -63.34412 -53.32793 43.55817 1.000 26.50941 ? 130 SER I O 1 ATOM 6044 C CB . SER D 3 131 ? -63.14847 -56.68216 44.42142 1.000 26.40653 ? 130 SER I CB 1 ATOM 6045 O OG . SER D 3 131 ? -62.98385 -56.10015 45.68909 1.000 26.55004 ? 130 SER I OG 1 ATOM 6046 H H . SER D 3 131 ? -61.07171 -55.36639 44.16150 1.000 27.59596 ? 130 SER I H 1 ATOM 6047 H HA . SER D 3 131 ? -62.98015 -56.14196 42.45901 1.000 30.01784 ? 130 SER I HA 1 ATOM 6048 H HB2 . SER D 3 131 ? -64.06876 -56.97403 44.32778 1.000 31.68461 ? 130 SER I HB2 1 ATOM 6049 H HB3 . SER D 3 131 ? -62.55012 -57.44183 44.34535 1.000 31.68461 ? 130 SER I HB3 1 ATOM 6050 H HG . SER D 3 131 ? -63.47304 -55.42089 45.75908 1.000 31.85682 ? 130 SER I HG 1 ATOM 6051 N N . SER D 3 132 ? -65.04894 -54.73362 43.12168 1.000 30.64739 ? 131 SER I N 1 ATOM 6052 C CA . SER D 3 132 ? -65.98398 -53.66620 42.82758 1.000 36.69416 ? 131 SER I CA 1 ATOM 6053 C C . SER D 3 132 ? -66.30362 -52.83752 44.06575 1.000 39.00583 ? 131 SER I C 1 ATOM 6054 O O . SER D 3 132 ? -66.22570 -53.30884 45.20351 1.000 35.16621 ? 131 SER I O 1 ATOM 6055 C CB . SER D 3 132 ? -67.29894 -54.26434 42.32723 1.000 40.39240 ? 131 SER I CB 1 ATOM 6056 O OG . SER D 3 132 ? -67.92215 -54.98183 43.37138 1.000 43.60107 ? 131 SER I OG 1 ATOM 6057 H H . SER D 3 132 ? -65.39876 -55.51905 43.13959 1.000 36.77364 ? 131 SER I H 1 ATOM 6058 H HA . SER D 3 132 ? -65.58827 -53.08866 42.15620 1.000 44.02976 ? 131 SER I HA 1 ATOM 6059 H HB2 . SER D 3 132 ? -67.88564 -53.54926 42.03510 1.000 48.46765 ? 131 SER I HB2 1 ATOM 6060 H HB3 . SER D 3 132 ? -67.11669 -54.86648 41.58891 1.000 48.46765 ? 131 SER I HB3 1 ATOM 6061 H HG . SER D 3 132 ? -68.67240 -55.26289 43.11893 1.000 52.31806 ? 131 SER I HG 1 ATOM 6062 N N . GLY D 3 133 ? -66.70094 -51.59342 43.82754 1.000 40.00634 ? 132 GLY I N 1 ATOM 6063 C CA . GLY D 3 133 ? -67.18022 -50.72075 44.87159 1.000 44.23981 ? 132 GLY I CA 1 ATOM 6064 C C . GLY D 3 133 ? -66.37244 -49.43663 44.97486 1.000 47.53150 ? 132 GLY I C 1 ATOM 6065 O O . GLY D 3 133 ? -65.33963 -49.25960 44.32528 1.000 44.04432 ? 132 GLY I O 1 ATOM 6066 H H . GLY D 3 133 ? -66.69934 -51.23022 43.04801 1.000 48.00438 ? 132 GLY I H 1 ATOM 6067 H HA2 . GLY D 3 133 ? -68.10449 -50.48603 44.69403 1.000 53.08454 ? 132 GLY I HA2 1 ATOM 6068 H HA3 . GLY D 3 133 ? -67.12958 -51.18208 45.72336 1.000 53.08454 ? 132 GLY I HA3 1 ATOM 6069 N N . GLY D 3 134 ? -66.87899 -48.54098 45.80823 1.000 56.67230 ? 133 GLY I N 1 ATOM 6070 C CA . GLY D 3 134 ? -66.25642 -47.24157 45.97388 1.000 65.61682 ? 133 GLY I CA 1 ATOM 6071 C C . GLY D 3 134 ? -66.01132 -46.54149 44.64693 1.000 66.19616 ? 133 GLY I C 1 ATOM 6072 O O . GLY D 3 134 ? -64.89003 -46.52033 44.13422 1.000 68.64933 ? 133 GLY I O 1 ATOM 6073 H H . GLY D 3 134 ? -67.58211 -48.66301 46.28817 1.000 68.00352 ? 133 GLY I H 1 ATOM 6074 H HA2 . GLY D 3 134 ? -66.83067 -46.67771 46.51537 1.000 78.73695 ? 133 GLY I HA2 1 ATOM 6075 H HA3 . GLY D 3 134 ? -65.40420 -47.34956 46.42440 1.000 78.73695 ? 133 GLY I HA3 1 ATOM 6076 N N . ALA E 1 2 ? -50.11872 -29.30108 32.71192 1.000 47.96425 ? 145 ALA M N 1 ATOM 6077 C CA . ALA E 1 2 ? -49.54957 -29.39356 31.37760 1.000 46.51585 ? 145 ALA M CA 1 ATOM 6078 C C . ALA E 1 2 ? -49.41304 -30.82651 30.91687 1.000 43.90882 ? 145 ALA M C 1 ATOM 6079 O O . ALA E 1 2 ? -48.67073 -31.60913 31.50725 1.000 44.07223 ? 145 ALA M O 1 ATOM 6080 H HA . ALA E 1 2 ? -50.12021 -28.92221 30.75062 1.000 55.81579 ? 145 ALA M HA 1 ATOM 6081 N N . SER E 1 3 ? -50.12388 -31.18069 29.85345 1.000 45.86929 ? 146 SER M N 1 ATOM 6082 C CA . SER E 1 3 ? -50.07654 -32.55987 29.39649 1.000 45.83729 ? 146 SER M CA 1 ATOM 6083 C C . SER E 1 3 ? -48.73968 -32.85982 28.72332 1.000 37.56628 ? 146 SER M C 1 ATOM 6084 O O . SER E 1 3 ? -48.10714 -31.98882 28.11539 1.000 35.36186 ? 146 SER M O 1 ATOM 6085 C CB . SER E 1 3 ? -51.21307 -32.85308 28.41800 1.000 56.70995 ? 146 SER M CB 1 ATOM 6086 O OG . SER E 1 3 ? -52.41534 -33.07608 29.12837 1.000 67.50115 ? 146 SER M OG 1 ATOM 6087 H H . SER E 1 3 ? -50.62646 -30.65611 29.39320 1.000 55.03992 ? 146 SER M H 1 ATOM 6088 H HA . SER E 1 3 ? -50.17949 -33.14549 30.16287 1.000 55.00151 ? 146 SER M HA 1 ATOM 6089 H HB2 . SER E 1 3 ? -51.32831 -32.09375 27.82552 1.000 68.04870 ? 146 SER M HB2 1 ATOM 6090 H HB3 . SER E 1 3 ? -50.99468 -33.64555 27.90302 1.000 68.04870 ? 146 SER M HB3 1 ATOM 6091 H HG . SER E 1 3 ? -53.03777 -33.25076 28.59202 1.000 80.99815 ? 146 SER M HG 1 ATOM 6092 N N . ASN E 1 4 ? -48.29905 -34.10551 28.86200 1.000 31.36720 ? 147 ASN M N 1 ATOM 6093 C CA . ASN E 1 4 ? -47.21312 -34.57527 28.02796 1.000 27.03511 ? 147 ASN M CA 1 ATOM 6094 C C . ASN E 1 4 ? -47.63740 -34.49056 26.56775 1.000 26.39845 ? 147 ASN M C 1 ATOM 6095 O O . ASN E 1 4 ? -48.82946 -34.47515 26.23945 1.000 27.80086 ? 147 ASN M O 1 ATOM 6096 C CB . ASN E 1 4 ? -46.91490 -36.04586 28.30805 1.000 27.34104 ? 147 ASN M CB 1 ATOM 6097 C CG . ASN E 1 4 ? -46.46488 -36.29620 29.72113 1.000 27.05888 ? 147 ASN M CG 1 ATOM 6098 O OD1 . ASN E 1 4 ? -45.89349 -35.42113 30.36902 1.000 29.18932 ? 147 ASN M OD1 1 ATOM 6099 N ND2 . ASN E 1 4 ? -46.70193 -37.50673 30.20343 1.000 26.44232 ? 147 ASN M ND2 1 ATOM 6100 H H . ASN E 1 4 ? -48.60803 -34.68197 29.42041 1.000 37.63741 ? 147 ASN M H 1 ATOM 6101 H HA . ASN E 1 4 ? -46.42357 -34.03985 28.20357 1.000 32.43890 ? 147 ASN M HA 1 ATOM 6102 H HB2 . ASN E 1 4 ? -47.71951 -36.56533 28.15427 1.000 32.80602 ? 147 ASN M HB2 1 ATOM 6103 H HB3 . ASN E 1 4 ? -46.20921 -36.34317 27.71264 1.000 32.80602 ? 147 ASN M HB3 1 ATOM 6104 H HD21 . ASN E 1 4 ? -47.09260 -38.09585 29.71361 1.000 31.72756 ? 147 ASN M HD21 1 ATOM 6105 H HD22 . ASN E 1 4 ? -46.46518 -37.70364 31.00641 1.000 31.72756 ? 147 ASN M HD22 1 ATOM 6106 N N . PHE E 1 5 ? -46.65186 -34.45479 25.67654 1.000 25.71449 ? 148 PHE M N 1 ATOM 6107 C CA . PHE E 1 5 ? -46.97229 -34.70336 24.27899 1.000 23.48994 ? 148 PHE M CA 1 ATOM 6108 C C . PHE E 1 5 ? -47.51868 -36.11674 24.13624 1.000 24.92025 ? 148 PHE M C 1 ATOM 6109 O O . PHE E 1 5 ? -47.28377 -36.99267 24.98628 1.000 23.28204 ? 148 PHE M O 1 ATOM 6110 C CB . PHE E 1 5 ? -45.76080 -34.46095 23.36165 1.000 23.31270 ? 148 PHE M CB 1 ATOM 6111 C CG . PHE E 1 5 ? -44.58840 -35.37468 23.58252 1.000 22.81683 ? 148 PHE M CG 1 ATOM 6112 C CD1 . PHE E 1 5 ? -44.58932 -36.66659 23.08397 1.000 23.30117 ? 148 PHE M CD1 1 ATOM 6113 C CD2 . PHE E 1 5 ? -43.44988 -34.91522 24.23604 1.000 23.24204 ? 148 PHE M CD2 1 ATOM 6114 C CE1 . PHE E 1 5 ? -43.49251 -37.50393 23.25578 1.000 23.67884 ? 148 PHE M CE1 1 ATOM 6115 C CE2 . PHE E 1 5 ? -42.35160 -35.73504 24.39737 1.000 23.60545 ? 148 PHE M CE2 1 ATOM 6116 C CZ . PHE E 1 5 ? -42.37429 -37.03122 23.92267 1.000 22.82255 ? 148 PHE M CZ 1 ATOM 6117 H H . PHE E 1 5 ? -45.82462 -34.29545 25.84941 1.000 30.85416 ? 148 PHE M H 1 ATOM 6118 H HA . PHE E 1 5 ? -47.65137 -34.08024 23.97653 1.000 28.18469 ? 148 PHE M HA 1 ATOM 6119 H HB2 . PHE E 1 5 ? -46.04679 -34.57577 22.44191 1.000 27.97201 ? 148 PHE M HB2 1 ATOM 6120 H HB3 . PHE E 1 5 ? -45.44927 -33.55301 23.50131 1.000 27.97201 ? 148 PHE M HB3 1 ATOM 6121 H HD1 . PHE E 1 5 ? -45.33612 -36.97952 22.62651 1.000 27.95817 ? 148 PHE M HD1 1 ATOM 6122 H HD2 . PHE E 1 5 ? -43.42853 -34.04663 24.56770 1.000 27.88722 ? 148 PHE M HD2 1 ATOM 6123 H HE1 . PHE E 1 5 ? -43.50959 -38.37331 22.92596 1.000 28.41138 ? 148 PHE M HE1 1 ATOM 6124 H HE2 . PHE E 1 5 ? -41.59275 -35.41292 24.82780 1.000 28.32331 ? 148 PHE M HE2 1 ATOM 6125 H HZ . PHE E 1 5 ? -41.63935 -37.58657 24.05055 1.000 27.38383 ? 148 PHE M HZ 1 ATOM 6126 N N . MET E 1 6 ? -48.28215 -36.32780 23.06442 1.000 24.94533 ? 149 MET M N 1 ATOM 6127 C CA . MET E 1 6 ? -48.79981 -37.64694 22.74632 1.000 27.04237 ? 149 MET M CA 1 ATOM 6128 C C . MET E 1 6 ? -47.96556 -38.27276 21.63729 1.000 23.88988 ? 149 MET M C 1 ATOM 6129 O O . MET E 1 6 ? -47.42968 -37.57573 20.77717 1.000 24.16166 ? 149 MET M O 1 ATOM 6130 C CB . MET E 1 6 ? -50.25072 -37.57835 22.27721 1.000 31.83191 ? 149 MET M CB 1 ATOM 6131 C CG . MET E 1 6 ? -51.20983 -37.03068 23.30486 1.000 37.56678 ? 149 MET M CG 1 ATOM 6132 S SD . MET E 1 6 ? -52.92668 -37.04465 22.73578 1.000 43.65190 ? 149 MET M SD 1 ATOM 6133 C CE . MET E 1 6 ? -52.89451 -35.88936 21.37483 1.000 52.22272 ? 149 MET M CE 1 ATOM 6134 H H . MET E 1 6 ? -48.51244 -35.71544 22.50622 1.000 29.93117 ? 149 MET M H 1 ATOM 6135 H HA . MET E 1 6 ? -48.76458 -38.19347 23.54693 1.000 32.44761 ? 149 MET M HA 1 ATOM 6136 H HB2 . MET E 1 6 ? -50.29707 -37.00437 21.49663 1.000 38.19506 ? 149 MET M HB2 1 ATOM 6137 H HB3 . MET E 1 6 ? -50.54495 -38.47389 22.04843 1.000 38.19506 ? 149 MET M HB3 1 ATOM 6138 H HG2 . MET E 1 6 ? -51.15551 -37.57176 24.10809 1.000 45.07691 ? 149 MET M HG2 1 ATOM 6139 H HG3 . MET E 1 6 ? -50.96779 -36.11314 23.50594 1.000 45.07691 ? 149 MET M HG3 1 ATOM 6140 H HE1 . MET E 1 6 ? -53.78050 -35.83780 20.98334 1.000 62.66404 ? 149 MET M HE1 1 ATOM 6141 H HE2 . MET E 1 6 ? -52.62831 -35.01767 21.70677 1.000 62.66404 ? 149 MET M HE2 1 ATOM 6142 H HE3 . MET E 1 6 ? -52.25764 -36.19960 20.71222 1.000 62.66404 ? 149 MET M HE3 1 ATOM 6143 N N . LEU E 1 7 ? -47.83458 -39.59198 21.68776 1.000 22.50020 ? 150 LEU M N 1 ATOM 6144 C CA . LEU E 1 7 ? -47.32743 -40.37627 20.57341 1.000 21.72938 ? 150 LEU M CA 1 ATOM 6145 C C . LEU E 1 7 ? -48.49292 -41.19823 20.05768 1.000 20.99297 ? 150 LEU M C 1 ATOM 6146 O O . LEU E 1 7 ? -49.04686 -42.02744 20.77883 1.000 22.03089 ? 150 LEU M O 1 ATOM 6147 C CB . LEU E 1 7 ? -46.18406 -41.27785 21.01912 1.000 20.67285 ? 150 LEU M CB 1 ATOM 6148 C CG . LEU E 1 7 ? -44.90594 -40.52883 21.43016 1.000 21.37771 ? 150 LEU M CG 1 ATOM 6149 C CD1 . LEU E 1 7 ? -43.93441 -41.51905 22.00555 1.000 22.08450 ? 150 LEU M CD1 1 ATOM 6150 C CD2 . LEU E 1 7 ? -44.28919 -39.80513 20.22785 1.000 21.91064 ? 150 LEU M CD2 1 ATOM 6151 H H . LEU E 1 7 ? -48.03873 -40.06610 22.37560 1.000 26.99701 ? 150 LEU M H 1 ATOM 6152 H HA . LEU E 1 7 ? -46.99001 -39.80300 19.86744 1.000 26.07202 ? 150 LEU M HA 1 ATOM 6153 H HB2 . LEU E 1 7 ? -46.47990 -41.79584 21.78401 1.000 24.80418 ? 150 LEU M HB2 1 ATOM 6154 H HB3 . LEU E 1 7 ? -45.95458 -41.87017 20.28604 1.000 24.80418 ? 150 LEU M HB3 1 ATOM 6155 H HG . LEU E 1 7 ? -45.11370 -39.85487 22.09613 1.000 25.65002 ? 150 LEU M HG 1 ATOM 6156 H HD11 . LEU E 1 7 ? -43.21981 -41.03788 22.45131 1.000 26.49818 ? 150 LEU M HD11 1 ATOM 6157 H HD12 . LEU E 1 7 ? -44.39947 -42.08460 22.64177 1.000 26.49818 ? 150 LEU M HD12 1 ATOM 6158 H HD13 . LEU E 1 7 ? -43.57109 -42.05935 21.28654 1.000 26.49818 ? 150 LEU M HD13 1 ATOM 6159 H HD21 . LEU E 1 7 ? -43.45601 -39.39091 20.50195 1.000 26.28954 ? 150 LEU M HD21 1 ATOM 6160 H HD22 . LEU E 1 7 ? -44.12174 -40.45006 19.52292 1.000 26.28954 ? 150 LEU M HD22 1 ATOM 6161 H HD23 . LEU E 1 7 ? -44.90863 -39.12713 19.91558 1.000 26.28954 ? 150 LEU M HD23 1 ATOM 6162 N N . THR E 1 8 ? -48.89101 -40.95676 18.81765 1.000 21.14515 ? 151 THR M N 1 ATOM 6163 C CA . THR E 1 8 ? -50.10208 -41.55298 18.27092 1.000 22.89913 ? 151 THR M CA 1 ATOM 6164 C C . THR E 1 8 ? -49.70733 -42.60745 17.24821 1.000 22.51051 ? 151 THR M C 1 ATOM 6165 O O . THR E 1 8 ? -48.99928 -42.30184 16.28666 1.000 23.49226 ? 151 THR M O 1 ATOM 6166 C CB . THR E 1 8 ? -50.98447 -40.47278 17.64098 1.000 24.44585 ? 151 THR M CB 1 ATOM 6167 O OG1 . THR E 1 8 ? -51.43233 -39.57947 18.65896 1.000 27.52387 ? 151 THR M OG1 1 ATOM 6168 C CG2 . THR E 1 8 ? -52.17621 -41.08577 16.93233 1.000 28.01096 ? 151 THR M CG2 1 ATOM 6169 H H . THR E 1 8 ? -48.47216 -40.44551 18.26738 1.000 25.37095 ? 151 THR M H 1 ATOM 6170 H HA . THR E 1 8 ? -50.60797 -41.99259 18.97214 1.000 27.47572 ? 151 THR M HA 1 ATOM 6171 H HB . THR E 1 8 ? -50.47283 -39.98123 16.97954 1.000 29.33179 ? 151 THR M HB 1 ATOM 6172 H HG1 . THR E 1 8 ? -51.95900 -39.01247 18.33228 1.000 33.02541 ? 151 THR M HG1 1 ATOM 6173 H HG21 . THR E 1 8 ? -52.79670 -40.39004 16.66429 1.000 33.60992 ? 151 THR M HG21 1 ATOM 6174 H HG22 . THR E 1 8 ? -51.88165 -41.56615 16.14280 1.000 33.60992 ? 151 THR M HG22 1 ATOM 6175 H HG23 . THR E 1 8 ? -52.63268 -41.70357 17.52467 1.000 33.60992 ? 151 THR M HG23 1 ATOM 6176 N N . GLN E 1 9 ? -50.16067 -43.83945 17.46885 1.000 23.11972 ? 152 GLN M N 1 ATOM 6177 C CA . GLN E 1 9 ? -49.97258 -44.98714 16.59526 1.000 24.04702 ? 152 GLN M CA 1 ATOM 6178 C C . GLN E 1 9 ? -51.33848 -45.57528 16.24027 1.000 23.66096 ? 152 GLN M C 1 ATOM 6179 O O . GLN E 1 9 ? -52.26028 -45.53344 17.06544 1.000 24.96149 ? 152 GLN M O 1 ATOM 6180 C CB . GLN E 1 9 ? -49.24427 -46.15536 17.28388 1.000 25.66305 ? 152 GLN M CB 1 ATOM 6181 C CG . GLN E 1 9 ? -48.20846 -45.85046 18.24170 1.000 26.70734 ? 152 GLN M CG 1 ATOM 6182 C CD . GLN E 1 9 ? -47.63723 -47.09929 18.88170 1.000 23.01001 ? 152 GLN M CD 1 ATOM 6183 O OE1 . GLN E 1 9 ? -47.39188 -47.09367 20.06641 1.000 22.64783 ? 152 GLN M OE1 1 ATOM 6184 N NE2 . GLN E 1 9 ? -47.44412 -48.16530 18.11789 1.000 21.98897 ? 152 GLN M NE2 1 ATOM 6185 H H . GLN E 1 9 ? -50.61285 -44.04735 18.17021 1.000 27.74043 ? 152 GLN M H 1 ATOM 6186 H HA . GLN E 1 9 ? -49.47217 -44.67827 15.82384 1.000 28.85319 ? 152 GLN M HA 1 ATOM 6187 H HB2 . GLN E 1 9 ? -49.91050 -46.67948 17.75542 1.000 30.79242 ? 152 GLN M HB2 1 ATOM 6188 H HB3 . GLN E 1 9 ? -48.82960 -46.69225 16.59056 1.000 30.79242 ? 152 GLN M HB3 1 ATOM 6189 H HG2 . GLN E 1 9 ? -47.48668 -45.38347 17.79243 1.000 32.04558 ? 152 GLN M HG2 1 ATOM 6190 H HG3 . GLN E 1 9 ? -48.57816 -45.29264 18.94388 1.000 32.04558 ? 152 GLN M HG3 1 ATOM 6191 H HE21 . GLN E 1 9 ? -47.64199 -48.13653 17.28146 1.000 26.38353 ? 152 GLN M HE21 1 ATOM 6192 H HE22 . GLN E 1 9 ? -47.12096 -48.88570 18.45877 1.000 26.38353 ? 152 GLN M HE22 1 ATOM 6193 N N . PRO E 1 10 ? -51.45632 -46.22984 15.08166 1.000 24.20792 ? 153 PRO M N 1 ATOM 6194 C CA . PRO E 1 10 ? -52.71736 -46.92810 14.77876 1.000 25.11682 ? 153 PRO M CA 1 ATOM 6195 C C . PRO E 1 10 ? -52.90520 -48.11725 15.69890 1.000 24.57840 ? 153 PRO M C 1 ATOM 6196 O O . PRO E 1 10 ? -51.95968 -48.84229 15.98677 1.000 24.55770 ? 153 PRO M O 1 ATOM 6197 C CB . PRO E 1 10 ? -52.53836 -47.37990 13.31748 1.000 26.55701 ? 153 PRO M CB 1 ATOM 6198 C CG . PRO E 1 10 ? -51.05781 -47.46272 13.11017 1.000 26.17374 ? 153 PRO M CG 1 ATOM 6199 C CD . PRO E 1 10 ? -50.41807 -46.46170 14.06218 1.000 24.85332 ? 153 PRO M CD 1 ATOM 6200 H HA . PRO E 1 10 ? -53.47554 -46.32667 14.84465 1.000 30.13696 ? 153 PRO M HA 1 ATOM 6201 H HB2 . PRO E 1 10 ? -52.95529 -48.24598 13.18721 1.000 31.86518 ? 153 PRO M HB2 1 ATOM 6202 H HB3 . PRO E 1 10 ? -52.93574 -46.72718 12.72003 1.000 31.86518 ? 153 PRO M HB3 1 ATOM 6203 H HG2 . PRO E 1 10 ? -50.75419 -48.36218 13.30938 1.000 31.40526 ? 153 PRO M HG2 1 ATOM 6204 H HG3 . PRO E 1 10 ? -50.84799 -47.23787 12.19022 1.000 31.40526 ? 153 PRO M HG3 1 ATOM 6205 H HD2 . PRO E 1 10 ? -49.61860 -46.83462 14.46550 1.000 29.82076 ? 153 PRO M HD2 1 ATOM 6206 H HD3 . PRO E 1 10 ? -50.20228 -45.63732 13.59878 1.000 29.82076 ? 153 PRO M HD3 1 ATOM 6207 N N . ARG E 1 11 ? -54.14090 -48.33922 16.15182 1.000 24.83299 ? 154 ARG M N 1 ATOM 6208 C CA . ARG E 1 11 ? -54.37036 -49.44828 17.07883 1.000 27.24263 ? 154 ARG M CA 1 ATOM 6209 C C . ARG E 1 11 ? -54.23015 -50.80942 16.40473 1.000 26.10912 ? 154 ARG M C 1 ATOM 6210 O O . ARG E 1 11 ? -53.84833 -51.78500 17.05611 1.000 25.88770 ? 154 ARG M O 1 ATOM 6211 C CB . ARG E 1 11 ? -55.75985 -49.36460 17.73089 1.000 30.53254 ? 154 ARG M CB 1 ATOM 6212 C CG . ARG E 1 11 ? -55.84057 -48.56575 19.01490 1.000 37.41559 ? 154 ARG M CG 1 ATOM 6213 C CD . ARG E 1 11 ? -55.00780 -49.14166 20.17625 1.000 38.76832 ? 154 ARG M CD 1 ATOM 6214 N NE . ARG E 1 11 ? -55.67537 -50.24649 20.85387 1.000 40.27519 ? 154 ARG M NE 1 ATOM 6215 C CZ . ARG E 1 11 ? -56.69776 -50.10980 21.69069 1.000 45.28582 ? 154 ARG M CZ 1 ATOM 6216 N NH1 . ARG E 1 11 ? -57.24253 -48.93173 21.92683 1.000 44.89160 ? 154 ARG M NH1 1 ATOM 6217 N NH2 . ARG E 1 11 ? -57.18744 -51.18709 22.29901 1.000 49.26982 ? 154 ARG M NH2 1 ATOM 6218 H H . ARG E 1 11 ? -54.83810 -47.87978 15.94584 1.000 29.79636 ? 154 ARG M H 1 ATOM 6219 H HA . ARG E 1 11 ? -53.70022 -49.36758 17.77546 1.000 32.68792 ? 154 ARG M HA 1 ATOM 6220 H HB2 . ARG E 1 11 ? -56.36797 -48.95224 17.09760 1.000 36.63582 ? 154 ARG M HB2 1 ATOM 6221 H HB3 . ARG E 1 11 ? -56.05424 -50.26609 17.93474 1.000 36.63582 ? 154 ARG M HB3 1 ATOM 6222 H HG2 . ARG E 1 11 ? -55.51897 -47.66712 18.84186 1.000 44.89548 ? 154 ARG M HG2 1 ATOM 6223 H HG3 . ARG E 1 11 ? -56.76585 -48.53693 19.30462 1.000 44.89548 ? 154 ARG M HG3 1 ATOM 6224 H HD2 . ARG E 1 11 ? -54.16370 -49.46929 19.82833 1.000 46.51876 ? 154 ARG M HD2 1 ATOM 6225 H HD3 . ARG E 1 11 ? -54.84846 -48.44191 20.82883 1.000 46.51876 ? 154 ARG M HD3 1 ATOM 6226 H HE . ARG E 1 11 ? -55.38709 -51.04221 20.70113 1.000 48.32700 ? 154 ARG M HE 1 ATOM 6227 H HH11 . ARG E 1 11 ? -56.93621 -48.23004 21.53517 1.000 53.86669 ? 154 ARG M HH11 1 ATOM 6228 H HH12 . ARG E 1 11 ? -57.90399 -48.86545 22.47242 1.000 53.86669 ? 154 ARG M HH12 1 ATOM 6229 H HH21 . ARG E 1 11 ? -56.84213 -51.96019 22.14839 1.000 59.12055 ? 154 ARG M HH21 1 ATOM 6230 H HH22 . ARG E 1 11 ? -57.84924 -51.11030 22.84281 1.000 59.12055 ? 154 ARG M HH22 1 ATOM 6231 N N . SER E 1 12 ? -54.55950 -50.90898 15.11895 1.000 24.33869 ? 155 SER M N 1 ATOM 6232 C CA . SER E 1 12 ? -54.57228 -52.19396 14.42785 1.000 24.72563 ? 155 SER M CA 1 ATOM 6233 C C . SER E 1 12 ? -53.96887 -52.03292 13.04933 1.000 23.37028 ? 155 SER M C 1 ATOM 6234 O O . SER E 1 12 ? -54.40094 -51.16452 12.28915 1.000 24.17587 ? 155 SER M O 1 ATOM 6235 C CB . SER E 1 12 ? -56.00712 -52.72535 14.29208 1.000 27.11499 ? 155 SER M CB 1 ATOM 6236 O OG . SER E 1 12 ? -56.06339 -53.76129 13.30918 1.000 30.43355 ? 155 SER M OG 1 ATOM 6237 H H . SER E 1 12 ? -54.78058 -50.24197 14.62314 1.000 29.20320 ? 155 SER M H 1 ATOM 6238 H HA . SER E 1 12 ? -54.03731 -52.83032 14.92760 1.000 29.66753 ? 155 SER M HA 1 ATOM 6239 H HB2 . SER E 1 12 ? -56.29578 -53.08229 15.14658 1.000 32.53476 ? 155 SER M HB2 1 ATOM 6240 H HB3 . SER E 1 12 ? -56.59052 -51.99906 14.02179 1.000 32.53476 ? 155 SER M HB3 1 ATOM 6241 H HG . SER E 1 12 ? -55.77874 -53.47440 12.57279 1.000 36.51703 ? 155 SER M HG 1 ATOM 6242 N N . VAL E 1 13 ? -52.99436 -52.88004 12.71797 1.000 22.02369 ? 156 VAL M N 1 ATOM 6243 C CA . VAL E 1 13 ? -52.40211 -52.91832 11.38911 1.000 23.01909 ? 156 VAL M CA 1 ATOM 6244 C C . VAL E 1 13 ? -52.32143 -54.37106 10.95643 1.000 21.11330 ? 156 VAL M C 1 ATOM 6245 O O . VAL E 1 13 ? -51.85285 -55.22771 11.72154 1.000 21.19704 ? 156 VAL M O 1 ATOM 6246 C CB . VAL E 1 13 ? -51.00746 -52.27483 11.39263 1.000 24.69516 ? 156 VAL M CB 1 ATOM 6247 C CG1 . VAL E 1 13 ? -50.32013 -52.46529 10.04716 1.000 25.56847 ? 156 VAL M CG1 1 ATOM 6248 C CG2 . VAL E 1 13 ? -51.12673 -50.79564 11.74276 1.000 26.36768 ? 156 VAL M CG2 1 ATOM 6249 H H . VAL E 1 13 ? -52.65478 -53.45368 13.26130 1.000 26.42520 ? 156 VAL M H 1 ATOM 6250 H HA . VAL E 1 13 ? -52.96306 -52.44261 10.75670 1.000 27.61967 ? 156 VAL M HA 1 ATOM 6251 H HB . VAL E 1 13 ? -50.45500 -52.70699 12.06266 1.000 29.63096 ? 156 VAL M HB 1 ATOM 6252 H HG11 . VAL E 1 13 ? -49.49613 -51.95359 10.03824 1.000 30.67894 ? 156 VAL M HG11 1 ATOM 6253 H HG12 . VAL E 1 13 ? -50.12582 -53.40740 9.92236 1.000 30.67894 ? 156 VAL M HG12 1 ATOM 6254 H HG13 . VAL E 1 13 ? -50.91083 -52.15338 9.34382 1.000 30.67894 ? 156 VAL M HG13 1 ATOM 6255 H HG21 . VAL E 1 13 ? -50.23721 -50.41602 11.81720 1.000 31.63799 ? 156 VAL M HG21 1 ATOM 6256 H HG22 . VAL E 1 13 ? -51.62149 -50.34397 11.04126 1.000 31.63799 ? 156 VAL M HG22 1 ATOM 6257 H HG23 . VAL E 1 13 ? -51.59559 -50.70784 12.58737 1.000 31.63799 ? 156 VAL M HG23 1 ATOM 6258 N N . SER E 1 14 ? -52.77586 -54.64571 9.72169 1.000 21.33193 ? 157 SER M N 1 ATOM 6259 C CA . SER E 1 14 ? -52.77880 -55.99095 9.18011 1.000 21.73942 ? 157 SER M CA 1 ATOM 6260 C C . SER E 1 14 ? -52.08020 -56.00190 7.83227 1.000 20.37488 ? 157 SER M C 1 ATOM 6261 O O . SER E 1 14 ? -52.28017 -55.10253 7.01144 1.000 22.47665 ? 157 SER M O 1 ATOM 6262 C CB . SER E 1 14 ? -54.18556 -56.48958 8.98742 1.000 22.27662 ? 157 SER M CB 1 ATOM 6263 O OG . SER E 1 14 ? -54.89249 -56.38525 10.21717 1.000 25.11814 ? 157 SER M OG 1 ATOM 6264 H H . SER E 1 14 ? -53.08868 -54.05378 9.18190 1.000 25.59508 ? 157 SER M H 1 ATOM 6265 H HA . SER E 1 14 ? -52.30463 -56.57930 9.78831 1.000 26.08407 ? 157 SER M HA 1 ATOM 6266 H HB2 . SER E 1 14 ? -54.62909 -55.95025 8.31415 1.000 26.72871 ? 157 SER M HB2 1 ATOM 6267 H HB3 . SER E 1 14 ? -54.16269 -57.41781 8.70677 1.000 26.72871 ? 157 SER M HB3 1 ATOM 6268 H HG . SER E 1 14 ? -55.68534 -56.64346 10.11558 1.000 30.13854 ? 157 SER M HG 1 ATOM 6269 N N . GLU E 1 15 ? -51.28122 -57.03764 7.58696 1.000 20.19473 ? 158 GLU M N 1 ATOM 6270 C CA . GLU E 1 15 ? -50.57034 -57.13651 6.32229 1.000 20.83779 ? 158 GLU M CA 1 ATOM 6271 C C . GLU E 1 15 ? -50.27984 -58.59570 5.99955 1.000 21.22282 ? 158 GLU M C 1 ATOM 6272 O O . GLU E 1 15 ? -50.26124 -59.46253 6.87601 1.000 21.94777 ? 158 GLU M O 1 ATOM 6273 C CB . GLU E 1 15 ? -49.29834 -56.28498 6.35431 1.000 22.13853 ? 158 GLU M CB 1 ATOM 6274 C CG . GLU E 1 15 ? -48.62293 -56.14388 5.02197 1.000 23.75453 ? 158 GLU M CG 1 ATOM 6275 C CD . GLU E 1 15 ? -49.58682 -55.66683 3.95566 1.000 26.59663 ? 158 GLU M CD 1 ATOM 6276 O OE1 . GLU E 1 15 ? -49.95072 -54.46785 3.98627 1.000 27.27473 ? 158 GLU M OE1 1 ATOM 6277 O OE2 . GLU E 1 15 ? -50.02129 -56.49980 3.12372 1.000 27.68254 -1 158 GLU M OE2 1 ATOM 6278 H H . GLU E 1 15 ? -51.13790 -57.68687 8.13245 1.000 24.23045 ? 158 GLU M H 1 ATOM 6279 H HA . GLU E 1 15 ? -51.13174 -56.81333 5.60028 1.000 25.00212 ? 158 GLU M HA 1 ATOM 6280 H HB2 . GLU E 1 15 ? -49.52808 -55.39496 6.66414 1.000 26.56300 ? 158 GLU M HB2 1 ATOM 6281 H HB3 . GLU E 1 15 ? -48.66513 -56.69530 6.96389 1.000 26.56300 ? 158 GLU M HB3 1 ATOM 6282 H HG2 . GLU E 1 15 ? -47.90374 -55.49698 5.09414 1.000 28.50220 ? 158 GLU M HG2 1 ATOM 6283 H HG3 . GLU E 1 15 ? -48.26868 -57.00478 4.74946 1.000 28.50220 ? 158 GLU M HG3 1 ATOM 6284 N N . SER E 1 16 ? -50.08372 -58.85053 4.70281 1.000 21.67597 ? 159 SER M N 1 ATOM 6285 C CA . SER E 1 16 ? -49.81324 -60.17407 4.18407 1.000 22.57562 ? 159 SER M CA 1 ATOM 6286 C C . SER E 1 16 ? -48.37215 -60.57904 4.44675 1.000 23.57119 ? 159 SER M C 1 ATOM 6287 O O . SER E 1 16 ? -47.46031 -59.74320 4.39953 1.000 22.85403 ? 159 SER M O 1 ATOM 6288 C CB . SER E 1 16 ? -50.03052 -60.21214 2.67580 1.000 23.30084 ? 159 SER M CB 1 ATOM 6289 O OG . SER E 1 16 ? -51.37091 -59.94906 2.37747 1.000 24.47029 ? 159 SER M OG 1 ATOM 6290 H H . SER E 1 16 ? -50.10455 -58.24823 4.08929 1.000 26.00794 ? 159 SER M H 1 ATOM 6291 H HA . SER E 1 16 ? -50.41151 -60.80136 4.61937 1.000 27.08752 ? 159 SER M HA 1 ATOM 6292 H HB2 . SER E 1 16 ? -49.47237 -59.53890 2.25614 1.000 27.95778 ? 159 SER M HB2 1 ATOM 6293 H HB3 . SER E 1 16 ? -49.79638 -61.09230 2.34203 1.000 27.95778 ? 159 SER M HB3 1 ATOM 6294 H HG . SER E 1 16 ? -51.49563 -59.99802 1.54822 1.000 29.36112 ? 159 SER M HG 1 ATOM 6295 N N . PRO E 1 17 ? -48.13346 -61.87161 4.64786 1.000 25.09264 ? 160 PRO M N 1 ATOM 6296 C CA . PRO E 1 17 ? -46.75628 -62.33058 4.85966 1.000 26.21508 ? 160 PRO M CA 1 ATOM 6297 C C . PRO E 1 17 ? -45.87921 -62.06881 3.64486 1.000 26.65104 ? 160 PRO M C 1 ATOM 6298 O O . PRO E 1 17 ? -46.34413 -62.04811 2.50081 1.000 26.38656 ? 160 PRO M O 1 ATOM 6299 C CB . PRO E 1 17 ? -46.91062 -63.83046 5.14197 1.000 28.27685 ? 160 PRO M CB 1 ATOM 6300 C CG . PRO E 1 17 ? -48.28071 -64.20384 4.64862 1.000 30.76841 ? 160 PRO M CG 1 ATOM 6301 C CD . PRO E 1 17 ? -49.12112 -62.96633 4.70500 1.000 27.22983 ? 160 PRO M CD 1 ATOM 6302 H HA . PRO E 1 17 ? -46.36796 -61.89521 5.63461 1.000 31.45486 ? 160 PRO M HA 1 ATOM 6303 H HB2 . PRO E 1 17 ? -46.22652 -64.32470 4.66382 1.000 33.92899 ? 160 PRO M HB2 1 ATOM 6304 H HB3 . PRO E 1 17 ? -46.83229 -63.99297 6.09505 1.000 33.92899 ? 160 PRO M HB3 1 ATOM 6305 H HG2 . PRO E 1 17 ? -48.21717 -64.52917 3.73701 1.000 36.91886 ? 160 PRO M HG2 1 ATOM 6306 H HG3 . PRO E 1 17 ? -48.65268 -64.89257 5.22149 1.000 36.91886 ? 160 PRO M HG3 1 ATOM 6307 H HD2 . PRO E 1 17 ? -49.72414 -62.92535 3.94633 1.000 32.67256 ? 160 PRO M HD2 1 ATOM 6308 H HD3 . PRO E 1 17 ? -49.62609 -62.93102 5.53244 1.000 32.67256 ? 160 PRO M HD3 1 ATOM 6309 N N . GLY E 1 18 ? -44.58973 -61.83952 3.91052 1.000 25.82448 ? 161 GLY M N 1 ATOM 6310 C CA . GLY E 1 18 ? -43.64229 -61.55558 2.86113 1.000 28.07150 ? 161 GLY M CA 1 ATOM 6311 C C . GLY E 1 18 ? -43.54403 -60.09472 2.48239 1.000 28.01944 ? 161 GLY M C 1 ATOM 6312 O O . GLY E 1 18 ? -42.54509 -59.69269 1.86656 1.000 30.18517 ? 161 GLY M O 1 ATOM 6313 H H . GLY E 1 18 ? -44.24926 -61.84575 4.70023 1.000 30.98615 ? 161 GLY M H 1 ATOM 6314 H HA2 . GLY E 1 18 ? -42.76288 -61.84823 3.14730 1.000 33.68257 ? 161 GLY M HA2 1 ATOM 6315 H HA3 . GLY E 1 18 ? -43.89759 -62.05180 2.06774 1.000 33.68257 ? 161 GLY M HA3 1 ATOM 6316 N N . LYS E 1 19 ? -44.54526 -59.29186 2.82907 1.000 27.79999 ? 162 LYS M N 1 ATOM 6317 C CA . LYS E 1 19 ? -44.53536 -57.88078 2.50253 1.000 28.78591 ? 162 LYS M CA 1 ATOM 6318 C C . LYS E 1 19 ? -43.83564 -57.09254 3.60341 1.000 26.12315 ? 162 LYS M C 1 ATOM 6319 O O . LYS E 1 19 ? -43.45092 -57.62653 4.64812 1.000 26.95741 ? 162 LYS M O 1 ATOM 6320 C CB . LYS E 1 19 ? -45.96815 -57.38040 2.29256 1.000 33.33300 ? 162 LYS M CB 1 ATOM 6321 C CG . LYS E 1 19 ? -46.64886 -57.89166 1.00801 1.000 41.89667 ? 162 LYS M CG 1 ATOM 6322 C CD . LYS E 1 19 ? -47.77121 -56.93502 0.62953 1.000 50.47537 ? 162 LYS M CD 1 ATOM 6323 C CE . LYS E 1 19 ? -48.27766 -57.13335 -0.78997 1.000 60.24639 ? 162 LYS M CE 1 ATOM 6324 N NZ . LYS E 1 19 ? -48.51895 -55.81700 -1.46195 1.000 64.22217 ? 162 LYS M NZ 1 ATOM 6325 H H . LYS E 1 19 ? -45.24550 -59.54789 3.25768 1.000 33.35676 ? 162 LYS M H 1 ATOM 6326 H HA . LYS E 1 19 ? -44.04692 -57.73779 1.67676 1.000 34.53986 ? 162 LYS M HA 1 ATOM 6327 H HB2 . LYS E 1 19 ? -46.50859 -57.66987 3.04424 1.000 39.99636 ? 162 LYS M HB2 1 ATOM 6328 H HB3 . LYS E 1 19 ? -45.95256 -56.41152 2.24876 1.000 39.99636 ? 162 LYS M HB3 1 ATOM 6329 H HG2 . LYS E 1 19 ? -46.00513 -57.92547 0.28319 1.000 50.27277 ? 162 LYS M HG2 1 ATOM 6330 H HG3 . LYS E 1 19 ? -47.02357 -58.77330 1.16033 1.000 50.27277 ? 162 LYS M HG3 1 ATOM 6331 H HD2 . LYS E 1 19 ? -48.51795 -57.07191 1.23331 1.000 60.56721 ? 162 LYS M HD2 1 ATOM 6332 H HD3 . LYS E 1 19 ? -47.44653 -56.02406 0.70464 1.000 60.56721 ? 162 LYS M HD3 1 ATOM 6333 H HE2 . LYS E 1 19 ? -47.61668 -57.62375 -1.30329 1.000 72.29244 ? 162 LYS M HE2 1 ATOM 6334 H HE3 . LYS E 1 19 ? -49.11335 -57.62539 -0.76908 1.000 72.29244 ? 162 LYS M HE3 1 ATOM 6335 H HZ1 . LYS E 1 19 ? -48.74912 -55.94675 -2.31183 1.000 77.06337 ? 162 LYS M HZ1 1 ATOM 6336 H HZ2 . LYS E 1 19 ? -49.17483 -55.37991 -1.04858 1.000 77.06337 ? 162 LYS M HZ2 1 ATOM 6337 H HZ3 . LYS E 1 19 ? -47.78005 -55.32162 -1.43522 1.000 77.06337 ? 162 LYS M HZ3 1 ATOM 6338 N N . THR E 1 20 ? -43.63248 -55.80942 3.33657 1.000 25.12120 ? 163 THR M N 1 ATOM 6339 C CA . THR E 1 20 ? -43.06268 -54.88343 4.30358 1.000 24.18765 ? 163 THR M CA 1 ATOM 6340 C C . THR E 1 20 ? -44.20663 -54.08245 4.90716 1.000 23.84987 ? 163 THR M C 1 ATOM 6341 O O . THR E 1 20 ? -45.06581 -53.56932 4.18052 1.000 26.63934 ? 163 THR M O 1 ATOM 6342 C CB . THR E 1 20 ? -42.06449 -53.95276 3.61515 1.000 26.51105 ? 163 THR M CB 1 ATOM 6343 O OG1 . THR E 1 20 ? -40.97242 -54.72095 3.11154 1.000 27.54986 ? 163 THR M OG1 1 ATOM 6344 C CG2 . THR E 1 20 ? -41.54418 -52.91610 4.60445 1.000 27.45670 ? 163 THR M CG2 1 ATOM 6345 H H . THR E 1 20 ? -43.82184 -55.44246 2.58220 1.000 30.14221 ? 163 THR M H 1 ATOM 6346 H HA . THR E 1 20 ? -42.59533 -55.35652 5.00975 1.000 29.02195 ? 163 THR M HA 1 ATOM 6347 H HB . THR E 1 20 ? -42.49683 -53.48768 2.88188 1.000 31.81002 ? 163 THR M HB 1 ATOM 6348 H HG1 . THR E 1 20 ? -40.41530 -54.21660 2.73623 1.000 33.05660 ? 163 THR M HG1 1 ATOM 6349 H HG21 . THR E 1 20 ? -40.73831 -52.50205 4.25799 1.000 32.94481 ? 163 THR M HG21 1 ATOM 6350 H HG22 . THR E 1 20 ? -42.21400 -52.22942 4.74842 1.000 32.94481 ? 163 THR M HG22 1 ATOM 6351 H HG23 . THR E 1 20 ? -41.34055 -53.34002 5.45281 1.000 32.94481 ? 163 THR M HG23 1 ATOM 6352 N N . VAL E 1 21 ? -44.22827 -53.99355 6.23244 1.000 21.86899 ? 164 VAL M N 1 ATOM 6353 C CA . VAL E 1 21 ? -45.24726 -53.23935 6.93628 1.000 21.86394 ? 164 VAL M CA 1 ATOM 6354 C C . VAL E 1 21 ? -44.53722 -52.15751 7.72506 1.000 22.35216 ? 164 VAL M C 1 ATOM 6355 O O . VAL E 1 21 ? -43.42186 -52.36582 8.22282 1.000 22.59929 ? 164 VAL M O 1 ATOM 6356 C CB . VAL E 1 21 ? -46.09933 -54.15840 7.83708 1.000 24.30390 ? 164 VAL M CB 1 ATOM 6357 C CG1 . VAL E 1 21 ? -45.24396 -54.74224 8.93687 1.000 26.05395 ? 164 VAL M CG1 1 ATOM 6358 C CG2 . VAL E 1 21 ? -47.30322 -53.40516 8.39347 1.000 25.80028 ? 164 VAL M CG2 1 ATOM 6359 H H . VAL E 1 21 ? -43.65248 -54.36886 6.74936 1.000 26.23955 ? 164 VAL M H 1 ATOM 6360 H HA . VAL E 1 21 ? -45.85494 -52.80967 6.31419 1.000 26.23350 ? 164 VAL M HA 1 ATOM 6361 H HB . VAL E 1 21 ? -46.44623 -54.89539 7.31038 1.000 29.16145 ? 164 VAL M HB 1 ATOM 6362 H HG11 . VAL E 1 21 ? -45.75233 -55.42325 9.40451 1.000 31.26151 ? 164 VAL M HG11 1 ATOM 6363 H HG12 . VAL E 1 21 ? -44.44871 -55.13465 8.54382 1.000 31.26151 ? 164 VAL M HG12 1 ATOM 6364 H HG13 . VAL E 1 21 ? -44.99440 -54.03498 9.55202 1.000 31.26151 ? 164 VAL M HG13 1 ATOM 6365 H HG21 . VAL E 1 21 ? -47.82055 -54.00561 8.95268 1.000 30.95711 ? 164 VAL M HG21 1 ATOM 6366 H HG22 . VAL E 1 21 ? -46.98959 -52.65216 8.91838 1.000 30.95711 ? 164 VAL M HG22 1 ATOM 6367 H HG23 . VAL E 1 21 ? -47.84733 -53.08982 7.65495 1.000 30.95711 ? 164 VAL M HG23 1 ATOM 6368 N N . THR E 1 22 ? -45.16972 -50.99839 7.81582 1.000 22.04923 ? 165 THR M N 1 ATOM 6369 C CA . THR E 1 22 ? -44.65346 -49.89071 8.60138 1.000 22.79566 ? 165 THR M CA 1 ATOM 6370 C C . THR E 1 22 ? -45.68500 -49.47914 9.63941 1.000 23.14932 ? 165 THR M C 1 ATOM 6371 O O . THR E 1 22 ? -46.88569 -49.42771 9.36343 1.000 24.79692 ? 165 THR M O 1 ATOM 6372 C CB . THR E 1 22 ? -44.29936 -48.69506 7.70529 1.000 26.74508 ? 165 THR M CB 1 ATOM 6373 O OG1 . THR E 1 22 ? -43.29669 -49.09028 6.75647 1.000 30.49380 ? 165 THR M OG1 1 ATOM 6374 C CG2 . THR E 1 22 ? -43.77596 -47.53331 8.53354 1.000 29.08201 ? 165 THR M CG2 1 ATOM 6375 H H . THR E 1 22 ? -45.91517 -50.82646 7.42295 1.000 26.45585 ? 165 THR M H 1 ATOM 6376 H HA . THR E 1 22 ? -43.84854 -50.16682 9.06696 1.000 27.35157 ? 165 THR M HA 1 ATOM 6377 H HB . THR E 1 22 ? -45.09512 -48.39779 7.23700 1.000 32.09087 ? 165 THR M HB 1 ATOM 6378 H HG1 . THR E 1 22 ? -43.18623 -48.48385 6.18582 1.000 36.58933 ? 165 THR M HG1 1 ATOM 6379 H HG21 . THR E 1 22 ? -43.52685 -46.79746 7.95271 1.000 34.89518 ? 165 THR M HG21 1 ATOM 6380 H HG22 . THR E 1 22 ? -44.46096 -47.23001 9.14973 1.000 34.89518 ? 165 THR M HG22 1 ATOM 6381 H HG23 . THR E 1 22 ? -42.99729 -47.81164 9.04060 1.000 34.89518 ? 165 THR M HG23 1 ATOM 6382 N N . ILE E 1 23 ? -45.20252 -49.22426 10.84391 1.000 22.33779 ? 166 ILE M N 1 ATOM 6383 C CA . ILE E 1 23 ? -46.00613 -48.76233 11.97483 1.000 21.65788 ? 166 ILE M CA 1 ATOM 6384 C C . ILE E 1 23 ? -45.41773 -47.42977 12.39673 1.000 22.80356 ? 166 ILE M C 1 ATOM 6385 O O . ILE E 1 23 ? -44.22189 -47.35070 12.68773 1.000 24.96536 ? 166 ILE M O 1 ATOM 6386 C CB . ILE E 1 23 ? -45.93676 -49.75604 13.14310 1.000 21.64256 ? 166 ILE M CB 1 ATOM 6387 C CG1 . ILE E 1 23 ? -46.56319 -51.08370 12.74984 1.000 23.56520 ? 166 ILE M CG1 1 ATOM 6388 C CG2 . ILE E 1 23 ? -46.63099 -49.17666 14.37230 1.000 23.86565 ? 166 ILE M CG2 1 ATOM 6389 C CD1 . ILE E 1 23 ? -46.35564 -52.17739 13.76262 1.000 23.11052 ? 166 ILE M CD1 1 ATOM 6390 H H . ILE E 1 23 ? -44.37139 -49.31451 11.04560 1.000 26.80212 ? 166 ILE M H 1 ATOM 6391 H HA . ILE E 1 23 ? -46.93253 -48.64797 11.71099 1.000 25.98622 ? 166 ILE M HA 1 ATOM 6392 H HB . ILE E 1 23 ? -45.00400 -49.91161 13.35910 1.000 25.96784 ? 166 ILE M HB 1 ATOM 6393 H HG12 . ILE E 1 23 ? -47.51894 -50.95763 12.64232 1.000 28.27501 ? 166 ILE M HG12 1 ATOM 6394 H HG13 . ILE E 1 23 ? -46.17106 -51.37748 11.91269 1.000 28.27501 ? 166 ILE M HG13 1 ATOM 6395 H HG21 . ILE E 1 23 ? -46.60982 -49.83340 15.08585 1.000 28.63555 ? 166 ILE M HG21 1 ATOM 6396 H HG22 . ILE E 1 23 ? -46.16432 -48.37254 14.64889 1.000 28.63555 ? 166 ILE M HG22 1 ATOM 6397 H HG23 . ILE E 1 23 ? -47.54985 -48.96434 14.14532 1.000 28.63555 ? 166 ILE M HG23 1 ATOM 6398 H HD11 . ILE E 1 23 ? -46.58836 -53.02875 13.36021 1.000 27.72939 ? 166 ILE M HD11 1 ATOM 6399 H HD12 . ILE E 1 23 ? -45.42453 -52.18352 14.03446 1.000 27.72939 ? 166 ILE M HD12 1 ATOM 6400 H HD13 . ILE E 1 23 ? -46.92338 -52.00839 14.53075 1.000 27.72939 ? 166 ILE M HD13 1 ATOM 6401 N N . SER E 1 24 ? -46.23460 -46.38813 12.41293 1.000 23.07913 ? 167 SER M N 1 ATOM 6402 C CA . SER E 1 24 ? -45.73236 -45.06108 12.71869 1.000 24.67830 ? 167 SER M CA 1 ATOM 6403 C C . SER E 1 24 ? -46.28565 -44.49174 14.00910 1.000 24.22834 ? 167 SER M C 1 ATOM 6404 O O . SER E 1 24 ? -47.38517 -44.82000 14.43286 1.000 25.57655 ? 167 SER M O 1 ATOM 6405 C CB . SER E 1 24 ? -45.95154 -44.09877 11.57331 1.000 27.12340 ? 167 SER M CB 1 ATOM 6406 O OG . SER E 1 24 ? -45.32743 -44.63948 10.39049 1.000 32.37075 ? 167 SER M OG 1 ATOM 6407 H H . SER E 1 24 ? -47.07835 -46.42614 12.25092 1.000 27.69172 ? 167 SER M H 1 ATOM 6408 H HA . SER E 1 24 ? -44.77709 -45.15034 12.86149 1.000 29.61074 ? 167 SER M HA 1 ATOM 6409 H HB2 . SER E 1 24 ? -46.90288 -43.99089 11.41771 1.000 32.54485 ? 167 SER M HB2 1 ATOM 6410 H HB3 . SER E 1 24 ? -45.55128 -43.24179 11.78843 1.000 32.54485 ? 167 SER M HB3 1 ATOM 6411 H HG . SER E 1 24 ? -45.58708 -44.21933 9.71104 1.000 38.84168 ? 167 SER M HG 1 ATOM 6412 N N A CYS E 1 25 ? -45.43748 -43.72023 14.68752 0.339 25.62333 ? 168 CYS M N 1 ATOM 6413 N N B CYS E 1 25 ? -45.56542 -43.48815 14.50822 0.661 23.22984 ? 168 CYS M N 1 ATOM 6414 C CA A CYS E 1 25 ? -45.81411 -42.93673 15.85431 0.339 26.07763 ? 168 CYS M CA 1 ATOM 6415 C CA B CYS E 1 25 ? -45.71034 -42.92747 15.85009 0.661 23.62871 ? 168 CYS M CA 1 ATOM 6416 C C A CYS E 1 25 ? -45.58100 -41.47705 15.51730 0.339 24.70576 ? 168 CYS M C 1 ATOM 6417 C C B CYS E 1 25 ? -45.50211 -41.42191 15.70228 0.661 23.76391 ? 168 CYS M C 1 ATOM 6418 O O A CYS E 1 25 ? -44.49004 -41.10796 15.06691 0.339 24.46143 ? 168 CYS M O 1 ATOM 6419 O O B CYS E 1 25 ? -44.36700 -40.96028 15.53181 0.661 25.65373 ? 168 CYS M O 1 ATOM 6420 C CB A CYS E 1 25 ? -44.95952 -43.25366 17.08508 0.339 28.44372 ? 168 CYS M CB 1 ATOM 6421 C CB B CYS E 1 25 ? -44.61157 -43.56946 16.69089 0.661 26.24091 ? 168 CYS M CB 1 ATOM 6422 S SG A CYS E 1 25 ? -45.57371 -44.60029 17.99124 0.339 24.23061 ? 168 CYS M SG 1 ATOM 6423 S SG B CYS E 1 25 ? -44.22704 -42.90373 18.27259 0.661 26.73871 ? 168 CYS M SG 1 ATOM 6424 H H A CYS E 1 25 ? -44.60740 -43.63366 14.48001 0.339 30.74477 ? 168 CYS M H 1 ATOM 6425 H H B CYS E 1 25 ? -44.94795 -43.09067 14.06064 0.661 27.87257 ? 168 CYS M H 1 ATOM 6426 H HA A CYS E 1 25 ? -46.74273 -43.12393 16.06294 0.339 31.28992 ? 168 CYS M HA 1 ATOM 6427 H HA B CYS E 1 25 ? -46.58420 -43.06902 16.24660 0.661 28.35122 ? 168 CYS M HA 1 ATOM 6428 H HB2 A CYS E 1 25 ? -44.05848 -43.46930 16.79781 0.339 34.12924 ? 168 CYS M HB2 1 ATOM 6429 H HB2 B CYS E 1 25 ? -44.86516 -44.49372 16.84039 0.661 31.48586 ? 168 CYS M HB2 1 ATOM 6430 H HB3 A CYS E 1 25 ? -44.94522 -42.47891 17.66857 0.339 34.12924 ? 168 CYS M HB3 1 ATOM 6431 H HB3 B CYS E 1 25 ? -43.79186 -43.52983 16.17377 0.661 31.48586 ? 168 CYS M HB3 1 ATOM 6432 N N . THR E 1 26 ? -46.58929 -40.65147 15.74429 1.000 23.85151 ? 169 THR M N 1 ATOM 6433 C CA . THR E 1 26 ? -46.51642 -39.22341 15.47669 1.000 23.58685 ? 169 THR M CA 1 ATOM 6434 C C . THR E 1 26 ? -46.54222 -38.46887 16.80264 1.000 22.15370 ? 169 THR M C 1 ATOM 6435 O O . THR E 1 26 ? -47.39772 -38.72835 17.66067 1.000 22.68150 ? 169 THR M O 1 ATOM 6436 C CB . THR E 1 26 ? -47.66720 -38.77755 14.57915 1.000 24.56297 ? 169 THR M CB 1 ATOM 6437 O OG1 . THR E 1 26 ? -47.54233 -39.42998 13.29894 1.000 25.70880 ? 169 THR M OG1 1 ATOM 6438 C CG2 . THR E 1 26 ? -47.60491 -37.28443 14.38647 1.000 25.86037 ? 169 THR M CG2 1 ATOM 6439 H H A THR E 1 26 ? -47.34825 -40.90138 16.06229 0.339 28.61859 ? 169 THR M H 1 ATOM 6440 H H B THR E 1 26 ? -47.37962 -40.93758 15.92626 0.661 28.61859 ? 169 THR M H 1 ATOM 6441 H HA . THR E 1 26 ? -45.68651 -39.01340 15.02059 1.000 28.30099 ? 169 THR M HA 1 ATOM 6442 H HB . THR E 1 26 ? -48.52049 -39.00760 14.97900 1.000 29.47233 ? 169 THR M HB 1 ATOM 6443 H HG1 . THR E 1 26 ? -47.77135 -40.23557 13.36348 1.000 30.84733 ? 169 THR M HG1 1 ATOM 6444 H HG21 . THR E 1 26 ? -48.25568 -37.00820 13.72232 1.000 31.02921 ? 169 THR M HG21 1 ATOM 6445 H HG22 . THR E 1 26 ? -47.79831 -36.83358 15.22327 1.000 31.02921 ? 169 THR M HG22 1 ATOM 6446 H HG23 . THR E 1 26 ? -46.71960 -37.02527 14.08655 1.000 31.02921 ? 169 THR M HG23 1 ATOM 6447 N N . ARG E 1 27 ? -45.60676 -37.53956 16.95877 1.000 21.92107 ? 170 ARG M N 1 ATOM 6448 C CA . ARG E 1 27 ? -45.48366 -36.74401 18.17842 1.000 21.90786 ? 170 ARG M CA 1 ATOM 6449 C C . ARG E 1 27 ? -46.34574 -35.49280 18.05096 1.000 24.25475 ? 170 ARG M C 1 ATOM 6450 O O . ARG E 1 27 ? -46.22275 -34.74295 17.07114 1.000 25.38993 ? 170 ARG M O 1 ATOM 6451 C CB . ARG E 1 27 ? -44.01902 -36.36515 18.40961 1.000 22.74499 ? 170 ARG M CB 1 ATOM 6452 C CG . ARG E 1 27 ? -43.78731 -35.43543 19.60173 1.000 21.91031 ? 170 ARG M CG 1 ATOM 6453 C CD . ARG E 1 27 ? -42.31597 -35.38513 19.99653 1.000 22.57535 ? 170 ARG M CD 1 ATOM 6454 N NE . ARG E 1 27 ? -42.08152 -34.33905 20.98459 1.000 21.94429 ? 170 ARG M NE 1 ATOM 6455 C CZ . ARG E 1 27 ? -41.01259 -34.25449 21.76162 1.000 22.86296 ? 170 ARG M CZ 1 ATOM 6456 N NH1 . ARG E 1 27 ? -40.05275 -35.15452 21.70182 1.000 21.46236 ? 170 ARG M NH1 1 ATOM 6457 N NH2 . ARG E 1 27 ? -40.92587 -33.25196 22.63503 1.000 24.82143 ? 170 ARG M NH2 1 ATOM 6458 H H . ARG E 1 27 ? -45.01882 -37.34574 16.36182 1.000 26.30205 ? 170 ARG M H 1 ATOM 6459 H HA . ARG E 1 27 ? -45.79266 -37.25208 18.94476 1.000 26.28620 ? 170 ARG M HA 1 ATOM 6460 H HB2 . ARG E 1 27 ? -43.51090 -37.17627 18.56705 1.000 27.29076 ? 170 ARG M HB2 1 ATOM 6461 H HB3 . ARG E 1 27 ? -43.68738 -35.91445 17.61728 1.000 27.29076 ? 170 ARG M HB3 1 ATOM 6462 H HG2 . ARG E 1 27 ? -44.07072 -34.53760 19.36833 1.000 26.28914 ? 170 ARG M HG2 1 ATOM 6463 H HG3 . ARG E 1 27 ? -44.29588 -35.75656 20.36274 1.000 26.28914 ? 170 ARG M HG3 1 ATOM 6464 H HD2 . ARG E 1 27 ? -42.05449 -36.23641 20.38103 1.000 27.08718 ? 170 ARG M HD2 1 ATOM 6465 H HD3 . ARG E 1 27 ? -41.77665 -35.19537 19.21294 1.000 27.08718 ? 170 ARG M HD3 1 ATOM 6466 H HE . ARG E 1 27 ? -42.68330 -33.73053 21.06925 1.000 26.32992 ? 170 ARG M HE 1 ATOM 6467 H HH11 . ARG E 1 27 ? -40.11359 -35.81210 21.15093 1.000 25.75160 ? 170 ARG M HH11 1 ATOM 6468 H HH12 . ARG E 1 27 ? -39.36520 -35.08459 22.21368 1.000 25.75160 ? 170 ARG M HH12 1 ATOM 6469 H HH21 . ARG E 1 27 ? -41.55855 -32.67187 22.68800 1.000 29.78249 ? 170 ARG M HH21 1 ATOM 6470 H HH22 . ARG E 1 27 ? -40.23721 -33.18500 23.14579 1.000 29.78249 ? 170 ARG M HH22 1 ATOM 6471 N N . SER E 1 28 ? -47.22270 -35.26683 19.04515 1.000 25.39751 ? 171 SER M N 1 ATOM 6472 C CA . SER E 1 28 ? -48.27230 -34.26210 18.87819 1.000 25.39017 ? 171 SER M CA 1 ATOM 6473 C C . SER E 1 28 ? -47.76676 -32.83703 19.04832 1.000 27.74935 ? 171 SER M C 1 ATOM 6474 O O . SER E 1 28 ? -48.37944 -31.90730 18.51202 1.000 29.43325 ? 171 SER M O 1 ATOM 6475 C CB . SER E 1 28 ? -49.40197 -34.49005 19.88316 1.000 26.33068 ? 171 SER M CB 1 ATOM 6476 O OG . SER E 1 28 ? -48.92195 -34.27315 21.21710 1.000 26.40749 ? 171 SER M OG 1 ATOM 6477 H H . SER E 1 28 ? -47.22676 -35.67339 19.80297 1.000 30.47379 ? 171 SER M H 1 ATOM 6478 H HA . SER E 1 28 ? -48.61948 -34.36323 17.97811 1.000 30.46497 ? 171 SER M HA 1 ATOM 6479 H HB2 . SER E 1 28 ? -50.12366 -33.86876 19.69860 1.000 31.59359 ? 171 SER M HB2 1 ATOM 6480 H HB3 . SER E 1 28 ? -49.72115 -35.40253 19.80315 1.000 31.59359 ? 171 SER M HB3 1 ATOM 6481 H HG . SER E 1 28 ? -49.53820 -34.41310 21.77050 1.000 31.68575 ? 171 SER M HG 1 ATOM 6482 N N . SER E 1 29 ? -46.70317 -32.64356 19.82799 1.000 28.11373 ? 172 SER M N 1 ATOM 6483 C CA . SER E 1 29 ? -46.13837 -31.32412 20.06503 1.000 29.90285 ? 172 SER M CA 1 ATOM 6484 C C . SER E 1 29 ? -44.66894 -31.50299 20.41679 1.000 29.23467 ? 172 SER M C 1 ATOM 6485 O O . SER E 1 29 ? -44.27037 -32.51777 20.99616 1.000 26.83126 ? 172 SER M O 1 ATOM 6486 C CB . SER E 1 29 ? -46.87445 -30.55884 21.17805 1.000 32.48821 ? 172 SER M CB 1 ATOM 6487 O OG . SER E 1 29 ? -46.65176 -31.14721 22.44778 1.000 34.55037 ? 172 SER M OG 1 ATOM 6488 H H . SER E 1 29 ? -46.28571 -33.27456 20.23685 1.000 33.73324 ? 172 SER M H 1 ATOM 6489 H HA . SER E 1 29 ? -46.20928 -30.78717 19.26032 1.000 35.88019 ? 172 SER M HA 1 ATOM 6490 H HB2 . SER E 1 29 ? -46.55138 -29.64439 21.19569 1.000 38.98262 ? 172 SER M HB2 1 ATOM 6491 H HB3 . SER E 1 29 ? -47.82594 -30.57097 20.98987 1.000 38.98262 ? 172 SER M HB3 1 ATOM 6492 H HG . SER E 1 29 ? -46.97057 -30.65751 23.05124 1.000 41.45722 ? 172 SER M HG 1 ATOM 6493 N N . GLY E 1 30 ? -43.86948 -30.51363 20.06050 1.000 28.72021 ? 173 GLY M N 1 ATOM 6494 C CA . GLY E 1 30 ? -42.43413 -30.66120 20.10040 1.000 29.74214 ? 173 GLY M CA 1 ATOM 6495 C C . GLY E 1 30 ? -41.92906 -31.47929 18.92504 1.000 28.35442 ? 173 GLY M C 1 ATOM 6496 O O . GLY E 1 30 ? -42.68242 -32.16392 18.23156 1.000 30.89968 ? 173 GLY M O 1 ATOM 6497 H H . GLY E 1 30 ? -44.13905 -29.74288 19.79054 1.000 34.46102 ? 173 GLY M H 1 ATOM 6498 H HA2 . GLY E 1 30 ? -42.01657 -29.78616 20.07133 1.000 35.68734 ? 173 GLY M HA2 1 ATOM 6499 H HA3 . GLY E 1 30 ? -42.17603 -31.10713 20.92224 1.000 35.68734 ? 173 GLY M HA3 1 ATOM 6500 N N A SER E 1 31 ? -40.61950 -31.39559 18.70479 0.274 28.87330 ? 174 SER M N 1 ATOM 6501 N N B SER E 1 31 ? -40.62136 -31.41311 18.71258 0.726 28.39183 ? 174 SER M N 1 ATOM 6502 C CA A SER E 1 31 ? -40.00310 -32.06339 17.56800 0.274 28.89913 ? 174 SER M CA 1 ATOM 6503 C CA B SER E 1 31 ? -40.00614 -32.05240 17.55694 0.726 27.54134 ? 174 SER M CA 1 ATOM 6504 C C A SER E 1 31 ? -39.70814 -33.52178 17.89217 0.274 26.39575 ? 174 SER M C 1 ATOM 6505 C C B SER E 1 31 ? -39.65612 -33.50592 17.86156 0.726 25.78949 ? 174 SER M C 1 ATOM 6506 O O A SER E 1 31 ? -39.18498 -33.84476 18.95788 0.274 25.42219 ? 174 SER M O 1 ATOM 6507 O O B SER E 1 31 ? -39.03593 -33.80392 18.88243 0.726 25.17594 ? 174 SER M O 1 ATOM 6508 C CB A SER E 1 31 ? -38.69608 -31.37091 17.18730 0.274 29.94218 ? 174 SER M CB 1 ATOM 6509 C CB B SER E 1 31 ? -38.74761 -31.29384 17.14244 0.726 28.70702 ? 174 SER M CB 1 ATOM 6510 O OG A SER E 1 31 ? -37.90607 -32.21696 16.36627 0.274 30.44623 ? 174 SER M OG 1 ATOM 6511 O OG B SER E 1 31 ? -39.07716 -30.02261 16.61123 0.726 30.74818 ? 174 SER M OG 1 ATOM 6512 H H A SER E 1 31 ? -40.06870 -30.95821 19.19967 0.274 34.64473 ? 174 SER M H 1 ATOM 6513 H H B SER E 1 31 ? -40.06654 -31.00217 19.22532 0.726 34.06696 ? 174 SER M H 1 ATOM 6514 H HA A SER E 1 31 ? -40.61411 -32.02587 16.81556 0.274 34.67573 ? 174 SER M HA 1 ATOM 6515 H HA B SER E 1 31 ? -40.63975 -32.04697 16.82250 0.726 33.04638 ? 174 SER M HA 1 ATOM 6516 H HB2 A SER E 1 31 ? -38.89868 -30.55637 16.70111 0.274 35.92738 ? 174 SER M HB2 1 ATOM 6517 H HB2 B SER E 1 31 ? -38.18077 -31.17368 17.92036 0.726 34.44519 ? 174 SER M HB2 1 ATOM 6518 H HB3 A SER E 1 31 ? -38.20153 -31.16093 17.99491 0.274 35.92738 ? 174 SER M HB3 1 ATOM 6519 H HB3 B SER E 1 31 ? -38.27825 -31.80669 16.46598 0.726 34.44519 ? 174 SER M HB3 1 ATOM 6520 H HG A SER E 1 31 ? -38.33507 -32.42975 15.67615 0.274 36.53225 ? 174 SER M HG 1 ATOM 6521 H HG B SER E 1 31 ? -38.37759 -29.61324 16.39075 0.726 36.89458 ? 174 SER M HG 1 ATOM 6522 N N . ILE E 1 32 ? -40.02579 -34.40568 16.94618 1.000 24.94508 ? 175 ILE M N 1 ATOM 6523 C CA . ILE E 1 32 ? -39.71495 -35.82257 17.11707 1.000 23.55612 ? 175 ILE M CA 1 ATOM 6524 C C . ILE E 1 32 ? -38.21482 -36.02540 17.31423 1.000 24.27973 ? 175 ILE M C 1 ATOM 6525 O O . ILE E 1 32 ? -37.79443 -36.90045 18.07999 1.000 22.67276 ? 175 ILE M O 1 ATOM 6526 C CB . ILE E 1 32 ? -40.27200 -36.63249 15.91796 1.000 23.32894 ? 175 ILE M CB 1 ATOM 6527 C CG1 . ILE E 1 32 ? -40.22649 -38.13049 16.19786 1.000 22.82968 ? 175 ILE M CG1 1 ATOM 6528 C CG2 . ILE E 1 32 ? -39.52390 -36.30779 14.62362 1.000 23.36308 ? 175 ILE M CG2 1 ATOM 6529 C CD1 . ILE E 1 32 ? -41.34008 -38.62352 17.11323 1.000 24.57600 ? 175 ILE M CD1 1 ATOM 6530 H H A ILE E 1 32 ? -40.41701 -34.21299 16.20495 0.274 29.93087 ? 175 ILE M H 1 ATOM 6531 H H B ILE E 1 32 ? -40.45412 -34.22168 16.22349 0.726 29.93087 ? 175 ILE M H 1 ATOM 6532 H HA . ILE E 1 32 ? -40.15318 -36.15025 17.91799 1.000 28.26412 ? 175 ILE M HA 1 ATOM 6533 H HB . ILE E 1 32 ? -41.19872 -36.36965 15.80396 1.000 27.99150 ? 175 ILE M HB 1 ATOM 6534 H HG12 . ILE E 1 32 ? -40.30375 -38.60661 15.35629 1.000 27.39239 ? 175 ILE M HG12 1 ATOM 6535 H HG13 . ILE E 1 32 ? -39.38029 -38.34202 16.62223 1.000 27.39239 ? 175 ILE M HG13 1 ATOM 6536 H HG21 . ILE E 1 32 ? -39.96327 -36.75591 13.88400 1.000 28.03246 ? 175 ILE M HG21 1 ATOM 6537 H HG22 . ILE E 1 32 ? -39.53686 -35.34803 14.48363 1.000 28.03246 ? 175 ILE M HG22 1 ATOM 6538 H HG23 . ILE E 1 32 ? -38.60827 -36.61835 14.70166 1.000 28.03246 ? 175 ILE M HG23 1 ATOM 6539 H HD11 . ILE E 1 32 ? -41.31058 -39.59226 17.15295 1.000 29.48797 ? 175 ILE M HD11 1 ATOM 6540 H HD12 . ILE E 1 32 ? -41.20815 -38.25195 17.99947 1.000 29.48797 ? 175 ILE M HD12 1 ATOM 6541 H HD13 . ILE E 1 32 ? -42.19402 -38.33294 16.75649 1.000 29.48797 ? 175 ILE M HD13 1 ATOM 6542 N N . GLY E 1 33 ? -37.38886 -35.21073 16.65547 1.000 24.31535 ? 176 GLY M N 1 ATOM 6543 C CA . GLY E 1 33 ? -35.94463 -35.30445 16.77272 1.000 23.82923 ? 176 GLY M CA 1 ATOM 6544 C C . GLY E 1 33 ? -35.37460 -34.77581 18.07089 1.000 24.39350 ? 176 GLY M C 1 ATOM 6545 O O . GLY E 1 33 ? -34.16910 -34.91612 18.30439 1.000 26.02070 ? 176 GLY M O 1 ATOM 6546 H H . GLY E 1 33 ? -37.65019 -34.58558 16.12585 1.000 29.17519 ? 176 GLY M H 1 ATOM 6547 H HA2 . GLY E 1 33 ? -35.68679 -36.23627 16.69443 1.000 28.59185 ? 176 GLY M HA2 1 ATOM 6548 H HA3 . GLY E 1 33 ? -35.54122 -34.80310 16.04690 1.000 28.59185 ? 176 GLY M HA3 1 ATOM 6549 N N . SER E 1 34 ? -36.21411 -34.18253 18.92091 1.000 23.96389 ? 177 SER M N 1 ATOM 6550 C CA . SER E 1 34 ? -35.74092 -33.65455 20.19287 1.000 23.06720 ? 177 SER M CA 1 ATOM 6551 C C . SER E 1 34 ? -35.44534 -34.74418 21.20150 1.000 20.92407 ? 177 SER M C 1 ATOM 6552 O O . SER E 1 34 ? -34.72257 -34.48629 22.17146 1.000 21.73070 ? 177 SER M O 1 ATOM 6553 C CB . SER E 1 34 ? -36.76573 -32.67388 20.76201 1.000 25.30894 ? 177 SER M CB 1 ATOM 6554 O OG . SER E 1 34 ? -36.68476 -31.44139 20.07850 1.000 27.83147 ? 177 SER M OG 1 ATOM 6555 H H . SER E 1 34 ? -37.05618 -34.07523 18.78308 1.000 28.75344 ? 177 SER M H 1 ATOM 6556 H HA . SER E 1 34 ? -34.91486 -33.16973 20.03965 1.000 27.67741 ? 177 SER M HA 1 ATOM 6557 H HB2 . SER E 1 34 ? -37.65611 -33.04248 20.65124 1.000 30.36749 ? 177 SER M HB2 1 ATOM 6558 H HB3 . SER E 1 34 ? -36.58111 -32.52967 21.70330 1.000 30.36749 ? 177 SER M HB3 1 ATOM 6559 H HG . SER E 1 34 ? -37.08561 -30.84486 20.51332 1.000 33.39454 ? 177 SER M HG 1 ATOM 6560 N N . ASP E 1 35 ? -35.99048 -35.94096 21.01331 1.000 20.50781 ? 178 ASP M N 1 ATOM 6561 C CA . ASP E 1 35 ? -35.86674 -37.01579 21.98706 1.000 19.49357 ? 178 ASP M CA 1 ATOM 6562 C C . ASP E 1 35 ? -35.87245 -38.34894 21.25250 1.000 20.01583 ? 178 ASP M C 1 ATOM 6563 O O . ASP E 1 35 ? -36.66987 -38.56597 20.32838 1.000 19.98887 ? 178 ASP M O 1 ATOM 6564 C CB . ASP E 1 35 ? -37.04111 -36.99164 22.95904 1.000 20.53930 ? 178 ASP M CB 1 ATOM 6565 C CG . ASP E 1 35 ? -37.03521 -35.76684 23.82289 1.000 19.88125 ? 178 ASP M CG 1 ATOM 6566 O OD1 . ASP E 1 35 ? -36.21501 -35.72161 24.77944 1.000 20.03905 ? 178 ASP M OD1 1 ATOM 6567 O OD2 . ASP E 1 35 ? -37.81930 -34.83992 23.52558 1.000 21.56624 -1 178 ASP M OD2 1 ATOM 6568 H H . ASP E 1 35 ? -36.44514 -36.15818 20.31638 1.000 24.60614 ? 178 ASP M H 1 ATOM 6569 H HA . ASP E 1 35 ? -35.03242 -36.92303 22.47307 1.000 23.38906 ? 178 ASP M HA 1 ATOM 6570 H HB2 . ASP E 1 35 ? -37.87065 -37.00321 22.45641 1.000 24.64393 ? 178 ASP M HB2 1 ATOM 6571 H HB3 . ASP E 1 35 ? -36.99232 -37.76936 23.53667 1.000 24.64393 ? 178 ASP M HB3 1 ATOM 6572 N N . TYR E 1 36 ? -34.99040 -39.24650 21.68694 1.000 19.74947 ? 179 TYR M N 1 ATOM 6573 C CA . TYR E 1 36 ? -34.93543 -40.58300 21.12253 1.000 21.78133 ? 179 TYR M CA 1 ATOM 6574 C C . TYR E 1 36 ? -36.30361 -41.24673 21.15424 1.000 19.65215 ? 179 TYR M C 1 ATOM 6575 O O . TYR E 1 36 ? -37.05672 -41.11322 22.11620 1.000 19.22497 ? 179 TYR M O 1 ATOM 6576 C CB . TYR E 1 36 ? -34.03556 -41.47153 21.97607 1.000 24.55486 ? 179 TYR M CB 1 ATOM 6577 C CG . TYR E 1 36 ? -32.60356 -41.06415 22.05517 1.000 30.65898 ? 179 TYR M CG 1 ATOM 6578 C CD1 . TYR E 1 36 ? -31.87207 -40.79170 20.91250 1.000 30.05807 ? 179 TYR M CD1 1 ATOM 6579 C CD2 . TYR E 1 36 ? -31.96514 -40.98599 23.28301 1.000 34.45006 ? 179 TYR M CD2 1 ATOM 6580 C CE1 . TYR E 1 36 ? -30.54326 -40.43697 20.99657 1.000 32.83793 ? 179 TYR M CE1 1 ATOM 6581 C CE2 . TYR E 1 36 ? -30.64671 -40.63430 23.37518 1.000 40.75763 ? 179 TYR M CE2 1 ATOM 6582 C CZ . TYR E 1 36 ? -29.93620 -40.36401 22.22578 1.000 37.74564 ? 179 TYR M CZ 1 ATOM 6583 O OH . TYR E 1 36 ? -28.60244 -40.00813 22.30719 1.000 36.55216 ? 179 TYR M OH 1 ATOM 6584 H H . TYR E 1 36 ? -34.41374 -39.10254 22.30849 1.000 23.69614 ? 179 TYR M H 1 ATOM 6585 H HA . TYR E 1 36 ? -34.60551 -40.50481 20.21372 1.000 26.13437 ? 179 TYR M HA 1 ATOM 6586 H HB2 . TYR E 1 36 ? -34.38326 -41.47485 22.88160 1.000 29.46260 ? 179 TYR M HB2 1 ATOM 6587 H HB3 . TYR E 1 36 ? -34.05858 -42.36893 21.60857 1.000 29.46260 ? 179 TYR M HB3 1 ATOM 6588 H HD1 . TYR E 1 36 ? -32.28147 -40.84859 20.07940 1.000 36.06645 ? 179 TYR M HD1 1 ATOM 6589 H HD2 . TYR E 1 36 ? -32.44210 -41.17619 24.05841 1.000 41.33684 ? 179 TYR M HD2 1 ATOM 6590 H HE1 . TYR E 1 36 ? -30.06016 -40.24798 20.22469 1.000 39.40228 ? 179 TYR M HE1 1 ATOM 6591 H HE2 . TYR E 1 36 ? -30.23327 -40.57805 24.20633 1.000 48.90592 ? 179 TYR M HE2 1 ATOM 6592 H HH . TYR E 1 36 ? -28.34011 -40.05714 23.10367 1.000 43.85936 ? 179 TYR M HH 1 ATOM 6593 N N . VAL E 1 37 ? -36.60060 -42.02081 20.12023 1.000 19.42045 ? 180 VAL M N 1 ATOM 6594 C CA . VAL E 1 37 ? -37.75495 -42.90987 20.09833 1.000 18.68101 ? 180 VAL M CA 1 ATOM 6595 C C . VAL E 1 37 ? -37.26282 -44.35344 20.09385 1.000 19.50802 ? 180 VAL M C 1 ATOM 6596 O O . VAL E 1 37 ? -36.35846 -44.71279 19.32860 1.000 19.75280 ? 180 VAL M O 1 ATOM 6597 C CB . VAL E 1 37 ? -38.64944 -42.60052 18.88269 1.000 19.97622 ? 180 VAL M CB 1 ATOM 6598 C CG1 . VAL E 1 37 ? -39.84423 -43.54241 18.85107 1.000 19.22649 ? 180 VAL M CG1 1 ATOM 6599 C CG2 . VAL E 1 37 ? -39.08298 -41.14658 18.93504 1.000 20.70877 ? 180 VAL M CG2 1 ATOM 6600 H H . VAL E 1 37 ? -36.13478 -42.04979 19.39789 1.000 23.30131 ? 180 VAL M H 1 ATOM 6601 H HA . VAL E 1 37 ? -38.28436 -42.79107 20.90239 1.000 22.41398 ? 180 VAL M HA 1 ATOM 6602 H HB . VAL E 1 37 ? -38.15457 -42.73957 18.06009 1.000 23.96823 ? 180 VAL M HB 1 ATOM 6603 H HG11 . VAL E 1 37 ? -40.50555 -43.19299 18.23344 1.000 23.06856 ? 180 VAL M HG11 1 ATOM 6604 H HG12 . VAL E 1 37 ? -39.54813 -44.41837 18.55796 1.000 23.06856 ? 180 VAL M HG12 1 ATOM 6605 H HG13 . VAL E 1 37 ? -40.22285 -43.60226 19.74212 1.000 23.06856 ? 180 VAL M HG13 1 ATOM 6606 H HG21 . VAL E 1 37 ? -39.59807 -40.94177 18.13903 1.000 24.84729 ? 180 VAL M HG21 1 ATOM 6607 H HG22 . VAL E 1 37 ? -39.62705 -41.00755 19.72596 1.000 24.84729 ? 180 VAL M HG22 1 ATOM 6608 H HG23 . VAL E 1 37 ? -38.29436 -40.58305 18.97280 1.000 24.84729 ? 180 VAL M HG23 1 ATOM 6609 N N . HIS E 1 38 ? -37.86614 -45.18279 20.94811 1.000 18.41627 ? 181 HIS M N 1 ATOM 6610 C CA . HIS E 1 38 ? -37.58023 -46.60268 21.05298 1.000 18.14896 ? 181 HIS M CA 1 ATOM 6611 C C . HIS E 1 38 ? -38.85556 -47.36162 20.74479 1.000 19.39754 ? 181 HIS M C 1 ATOM 6612 O O . HIS E 1 38 ? -39.96011 -46.81522 20.83720 1.000 18.77046 ? 181 HIS M O 1 ATOM 6613 C CB . HIS E 1 38 ? -37.09533 -46.98061 22.46270 1.000 18.52261 ? 181 HIS M CB 1 ATOM 6614 C CG . HIS E 1 38 ? -36.22644 -45.95456 23.08420 1.000 19.09107 ? 181 HIS M CG 1 ATOM 6615 N ND1 . HIS E 1 38 ? -34.92971 -45.71525 22.67676 1.000 20.09813 ? 181 HIS M ND1 1 ATOM 6616 C CD2 . HIS E 1 38 ? -36.44754 -45.13620 24.13889 1.000 19.53510 ? 181 HIS M CD2 1 ATOM 6617 C CE1 . HIS E 1 38 ? -34.39808 -44.78566 23.45252 1.000 21.22025 ? 181 HIS M CE1 1 ATOM 6618 N NE2 . HIS E 1 38 ? -35.30381 -44.40561 24.33605 1.000 20.57626 ? 181 HIS M NE2 1 ATOM 6619 H H . HIS E 1 38 ? -38.47318 -44.92778 21.50134 1.000 22.09629 ? 181 HIS M H 1 ATOM 6620 H HA . HIS E 1 38 ? -36.88456 -46.84993 20.42384 1.000 21.77552 ? 181 HIS M HA 1 ATOM 6621 H HB2 . HIS E 1 38 ? -37.86762 -47.10303 23.03670 1.000 22.22390 ? 181 HIS M HB2 1 ATOM 6622 H HB3 . HIS E 1 38 ? -36.58829 -47.80574 22.40826 1.000 22.22390 ? 181 HIS M HB3 1 ATOM 6623 H HD2 . HIS E 1 38 ? -37.23035 -45.07965 24.63780 1.000 23.43889 ? 181 HIS M HD2 1 ATOM 6624 H HE1 . HIS E 1 38 ? -33.53143 -44.45471 23.38710 1.000 25.46107 ? 181 HIS M HE1 1 ATOM 6625 H HE2 . HIS E 1 38 ? -35.19417 -43.79955 24.93628 1.000 24.68829 ? 181 HIS M HE2 1 ATOM 6626 N N . TRP E 1 39 ? -38.69076 -48.63208 20.40553 1.000 18.64685 ? 182 TRP M N 1 ATOM 6627 C CA . TRP E 1 39 ? -39.80507 -49.50195 20.06141 1.000 17.83143 ? 182 TRP M CA 1 ATOM 6628 C C . TRP E 1 39 ? -39.70766 -50.82740 20.79599 1.000 17.44529 ? 182 TRP M C 1 ATOM 6629 O O . TRP E 1 39 ? -38.64200 -51.46708 20.80535 1.000 18.77157 ? 182 TRP M O 1 ATOM 6630 C CB . TRP E 1 39 ? -39.82335 -49.79452 18.55682 1.000 18.26329 ? 182 TRP M CB 1 ATOM 6631 C CG . TRP E 1 39 ? -40.09358 -48.61455 17.69149 1.000 18.76462 ? 182 TRP M CG 1 ATOM 6632 C CD1 . TRP E 1 39 ? -39.17966 -47.75992 17.16668 1.000 20.01085 ? 182 TRP M CD1 1 ATOM 6633 C CD2 . TRP E 1 39 ? -41.37511 -48.17441 17.23418 1.000 18.22176 ? 182 TRP M CD2 1 ATOM 6634 N NE1 . TRP E 1 39 ? -39.81232 -46.80217 16.41451 1.000 19.71092 ? 182 TRP M NE1 1 ATOM 6635 C CE2 . TRP E 1 39 ? -41.16303 -47.03939 16.43862 1.000 19.43298 ? 182 TRP M CE2 1 ATOM 6636 C CE3 . TRP E 1 39 ? -42.68564 -48.64535 17.41104 1.000 19.21824 ? 182 TRP M CE3 1 ATOM 6637 C CZ2 . TRP E 1 39 ? -42.21253 -46.35764 15.80358 1.000 19.73254 ? 182 TRP M CZ2 1 ATOM 6638 C CZ3 . TRP E 1 39 ? -43.72902 -47.96038 16.79678 1.000 19.76371 ? 182 TRP M CZ3 1 ATOM 6639 C CH2 . TRP E 1 39 ? -43.47668 -46.82302 16.00320 1.000 19.74942 ? 182 TRP M CH2 1 ATOM 6640 H H . TRP E 1 39 ? -37.92521 -49.02198 20.36657 1.000 22.37299 ? 182 TRP M H 1 ATOM 6641 H HA . TRP E 1 39 ? -40.62294 -49.05792 20.33494 1.000 21.39448 ? 182 TRP M HA 1 ATOM 6642 H HB2 . TRP E 1 39 ? -38.95739 -50.14979 18.30224 1.000 21.91271 ? 182 TRP M HB2 1 ATOM 6643 H HB3 . TRP E 1 39 ? -40.51601 -50.45003 18.37956 1.000 21.91271 ? 182 TRP M HB3 1 ATOM 6644 H HD1 . TRP E 1 39 ? -38.26054 -47.81505 17.29735 1.000 24.00979 ? 182 TRP M HD1 1 ATOM 6645 H HE1 . TRP E 1 39 ? -39.42504 -46.15823 15.99623 1.000 23.64987 ? 182 TRP M HE1 1 ATOM 6646 H HE3 . TRP E 1 39 ? -42.85293 -49.39990 17.92832 1.000 23.05866 ? 182 TRP M HE3 1 ATOM 6647 H HZ2 . TRP E 1 39 ? -42.05076 -45.61581 15.26653 1.000 23.67582 ? 182 TRP M HZ2 1 ATOM 6648 H HZ3 . TRP E 1 39 ? -44.60326 -48.25628 16.91102 1.000 23.71322 ? 182 TRP M HZ3 1 ATOM 6649 H HH2 . TRP E 1 39 ? -44.19119 -46.37949 15.60614 1.000 23.69608 ? 182 TRP M HH2 1 ATOM 6650 N N . TYR E 1 40 ? -40.84175 -51.25887 21.35871 1.000 18.72260 ? 183 TYR M N 1 ATOM 6651 C CA . TYR E 1 40 ? -40.95374 -52.51326 22.07679 1.000 18.61686 ? 183 TYR M CA 1 ATOM 6652 C C . TYR E 1 40 ? -41.94246 -53.42278 21.37076 1.000 18.38631 ? 183 TYR M C 1 ATOM 6653 O O . TYR E 1 40 ? -42.95214 -52.96189 20.81747 1.000 20.57731 ? 183 TYR M O 1 ATOM 6654 C CB . TYR E 1 40 ? -41.47985 -52.27693 23.49860 1.000 18.43630 ? 183 TYR M CB 1 ATOM 6655 C CG . TYR E 1 40 ? -40.61163 -51.35655 24.28060 1.000 17.36899 ? 183 TYR M CG 1 ATOM 6656 C CD1 . TYR E 1 40 ? -39.45954 -51.80871 24.86636 1.000 18.62201 ? 183 TYR M CD1 1 ATOM 6657 C CD2 . TYR E 1 40 ? -40.94781 -50.02437 24.41902 1.000 18.40326 ? 183 TYR M CD2 1 ATOM 6658 C CE1 . TYR E 1 40 ? -38.63695 -50.94017 25.59727 1.000 19.25398 ? 183 TYR M CE1 1 ATOM 6659 C CE2 . TYR E 1 40 ? -40.15669 -49.15146 25.12337 1.000 19.25966 ? 183 TYR M CE2 1 ATOM 6660 C CZ . TYR E 1 40 ? -38.99197 -49.62166 25.69937 1.000 18.49773 ? 183 TYR M CZ 1 ATOM 6661 O OH . TYR E 1 40 ? -38.19310 -48.75866 26.41967 1.000 19.62265 ? 183 TYR M OH 1 ATOM 6662 H H . TYR E 1 40 ? -41.58096 -50.82018 21.33189 1.000 22.46388 ? 183 TYR M H 1 ATOM 6663 H HA . TYR E 1 40 ? -40.08348 -52.94043 22.10946 1.000 22.33700 ? 183 TYR M HA 1 ATOM 6664 H HB2 . TYR E 1 40 ? -42.36574 -51.88513 23.44753 1.000 22.12033 ? 183 TYR M HB2 1 ATOM 6665 H HB3 . TYR E 1 40 ? -41.51886 -53.12542 23.96706 1.000 22.12033 ? 183 TYR M HB3 1 ATOM 6666 H HD1 . TYR E 1 40 ? -39.21981 -52.70295 24.77825 1.000 22.34318 ? 183 TYR M HD1 1 ATOM 6667 H HD2 . TYR E 1 40 ? -41.72977 -49.71080 24.02517 1.000 22.08068 ? 183 TYR M HD2 1 ATOM 6668 H HE1 . TYR E 1 40 ? -37.86293 -51.25430 26.00605 1.000 23.10155 ? 183 TYR M HE1 1 ATOM 6669 H HE2 . TYR E 1 40 ? -40.40051 -48.25833 25.21149 1.000 23.10836 ? 183 TYR M HE2 1 ATOM 6670 H HH . TYR E 1 40 ? -38.03481 -48.06868 25.96748 1.000 23.54395 ? 183 TYR M HH 1 ATOM 6671 N N . GLN E 1 41 ? -41.66202 -54.71775 21.41889 1.000 19.25066 ? 184 GLN M N 1 ATOM 6672 C CA . GLN E 1 41 ? -42.59531 -55.74831 20.97974 1.000 19.55886 ? 184 GLN M CA 1 ATOM 6673 C C . GLN E 1 41 ? -43.16464 -56.42265 22.21885 1.000 18.36272 ? 184 GLN M C 1 ATOM 6674 O O . GLN E 1 41 ? -42.42801 -56.70113 23.16309 1.000 19.73889 ? 184 GLN M O 1 ATOM 6675 C CB . GLN E 1 41 ? -41.85944 -56.79047 20.13041 1.000 19.60512 ? 184 GLN M CB 1 ATOM 6676 C CG . GLN E 1 41 ? -42.71091 -57.95192 19.64474 1.000 21.11947 ? 184 GLN M CG 1 ATOM 6677 C CD . GLN E 1 41 ? -41.84482 -59.04915 19.06693 1.000 24.25743 ? 184 GLN M CD 1 ATOM 6678 O OE1 . GLN E 1 41 ? -41.16412 -59.77688 19.79978 1.000 25.29127 ? 184 GLN M OE1 1 ATOM 6679 N NE2 . GLN E 1 41 ? -41.85519 -59.17041 17.74821 1.000 23.45581 ? 184 GLN M NE2 1 ATOM 6680 H H . GLN E 1 41 ? -40.91705 -55.03382 21.70995 1.000 23.09756 ? 184 GLN M H 1 ATOM 6681 H HA . GLN E 1 41 ? -43.31639 -55.36865 20.45363 1.000 23.46741 ? 184 GLN M HA 1 ATOM 6682 H HB2 . GLN E 1 41 ? -41.50019 -56.34711 19.34601 1.000 23.52292 ? 184 GLN M HB2 1 ATOM 6683 H HB3 . GLN E 1 41 ? -41.13766 -57.16269 20.66086 1.000 23.52292 ? 184 GLN M HB3 1 ATOM 6684 H HG2 . GLN E 1 41 ? -43.21485 -58.31690 20.38887 1.000 25.34013 ? 184 GLN M HG2 1 ATOM 6685 H HG3 . GLN E 1 41 ? -43.31707 -57.64189 18.95383 1.000 25.34013 ? 184 GLN M HG3 1 ATOM 6686 H HE21 . GLN E 1 41 ? -42.33693 -58.64101 17.27149 1.000 28.14374 ? 184 GLN M HE21 1 ATOM 6687 H HE22 . GLN E 1 41 ? -41.38018 -59.77855 17.36857 1.000 28.14374 ? 184 GLN M HE22 1 ATOM 6688 N N . GLN E 1 42 ? -44.46866 -56.67644 22.22945 1.000 18.87142 ? 185 GLN M N 1 ATOM 6689 C CA . GLN E 1 42 ? -45.09983 -57.39971 23.32424 1.000 20.16554 ? 185 GLN M CA 1 ATOM 6690 C C . GLN E 1 42 ? -45.97974 -58.50541 22.77613 1.000 22.27913 ? 185 GLN M C 1 ATOM 6691 O O . GLN E 1 42 ? -46.98386 -58.22876 22.11621 1.000 22.47418 ? 185 GLN M O 1 ATOM 6692 C CB . GLN E 1 42 ? -45.91033 -56.48704 24.24580 1.000 19.89914 ? 185 GLN M CB 1 ATOM 6693 C CG . GLN E 1 42 ? -46.32207 -57.18260 25.52972 1.000 21.03754 ? 185 GLN M CG 1 ATOM 6694 C CD . GLN E 1 42 ? -47.19428 -56.30945 26.39339 1.000 20.52068 ? 185 GLN M CD 1 ATOM 6695 O OE1 . GLN E 1 42 ? -47.88039 -55.42570 25.88965 1.000 21.20166 ? 185 GLN M OE1 1 ATOM 6696 N NE2 . GLN E 1 42 ? -47.14643 -56.52171 27.71294 1.000 21.70421 ? 185 GLN M NE2 1 ATOM 6697 H H . GLN E 1 42 ? -45.01231 -56.43713 21.60754 1.000 22.64247 ? 185 GLN M H 1 ATOM 6698 H HA . GLN E 1 42 ? -44.39244 -57.80527 23.84961 1.000 24.19541 ? 185 GLN M HA 1 ATOM 6699 H HB2 . GLN E 1 42 ? -45.37275 -55.71429 24.47981 1.000 23.87574 ? 185 GLN M HB2 1 ATOM 6700 H HB3 . GLN E 1 42 ? -46.71504 -56.20386 23.78412 1.000 23.87574 ? 185 GLN M HB3 1 ATOM 6701 H HG2 . GLN E 1 42 ? -46.81994 -57.98591 25.31127 1.000 25.24181 ? 185 GLN M HG2 1 ATOM 6702 H HG3 . GLN E 1 42 ? -45.52751 -57.41226 26.03651 1.000 25.24181 ? 185 GLN M HG3 1 ATOM 6703 H HE21 . GLN E 1 42 ? -46.63378 -57.13427 28.03162 1.000 26.04182 ? 185 GLN M HE21 1 ATOM 6704 H HE22 . GLN E 1 42 ? -47.62831 -56.04564 28.24280 1.000 26.04182 ? 185 GLN M HE22 1 ATOM 6705 N N . ARG E 1 43 ? -45.63029 -59.74079 23.09197 1.000 23.83461 ? 186 ARG M N 1 ATOM 6706 C CA . ARG E 1 43 ? -46.42207 -60.89914 22.71970 1.000 26.38446 ? 186 ARG M CA 1 ATOM 6707 C C . ARG E 1 43 ? -47.43839 -61.20844 23.80443 1.000 27.74577 ? 186 ARG M C 1 ATOM 6708 O O . ARG E 1 43 ? -47.22421 -60.89685 24.98062 1.000 27.10830 ? 186 ARG M O 1 ATOM 6709 C CB . ARG E 1 43 ? -45.50968 -62.10509 22.51728 1.000 27.04254 ? 186 ARG M CB 1 ATOM 6710 C CG . ARG E 1 43 ? -44.39203 -61.88431 21.51396 1.000 28.15367 ? 186 ARG M CG 1 ATOM 6711 C CD . ARG E 1 43 ? -43.65797 -63.18744 21.25565 1.000 29.77837 ? 186 ARG M CD 1 ATOM 6712 N NE . ARG E 1 43 ? -42.63698 -63.04632 20.22809 1.000 30.43593 ? 186 ARG M NE 1 ATOM 6713 C CZ . ARG E 1 43 ? -42.89569 -63.01715 18.92793 1.000 30.86077 ? 186 ARG M CZ 1 ATOM 6714 N NH1 . ARG E 1 43 ? -44.13613 -63.11035 18.46822 1.000 32.38975 ? 186 ARG M NH1 1 ATOM 6715 N NH2 . ARG E 1 43 ? -41.88815 -62.88521 18.06985 1.000 30.37990 ? 186 ARG M NH2 1 ATOM 6716 H H . ARG E 1 43 ? -44.91969 -59.93994 23.53354 1.000 28.59830 ? 186 ARG M H 1 ATOM 6717 H HA . ARG E 1 43 ? -46.89282 -60.72497 21.88967 1.000 31.65812 ? 186 ARG M HA 1 ATOM 6718 H HB2 . ARG E 1 43 ? -45.10052 -62.32960 23.36762 1.000 32.44781 ? 186 ARG M HB2 1 ATOM 6719 H HB3 . ARG E 1 43 ? -46.04575 -62.84881 22.20042 1.000 32.44781 ? 186 ARG M HB3 1 ATOM 6720 H HG2 . ARG E 1 43 ? -44.76323 -61.56548 20.67643 1.000 33.78117 ? 186 ARG M HG2 1 ATOM 6721 H HG3 . ARG E 1 43 ? -43.76110 -61.23661 21.86513 1.000 33.78117 ? 186 ARG M HG3 1 ATOM 6722 H HD2 . ARG E 1 43 ? -43.22548 -63.47737 22.07406 1.000 35.73082 ? 186 ARG M HD2 1 ATOM 6723 H HD3 . ARG E 1 43 ? -44.29346 -63.85826 20.96061 1.000 35.73082 ? 186 ARG M HD3 1 ATOM 6724 H HE . ARG E 1 43 ? -41.81727 -62.97779 20.47904 1.000 36.51989 ? 186 ARG M HE 1 ATOM 6725 H HH11 . ARG E 1 43 ? -44.79316 -63.19170 19.01713 1.000 38.86447 ? 186 ARG M HH11 1 ATOM 6726 H HH12 . ARG E 1 43 ? -44.28351 -63.08944 17.62120 1.000 38.86447 ? 186 ARG M HH12 1 ATOM 6727 H HH21 . ARG E 1 43 ? -41.08142 -62.82013 18.36062 1.000 36.45264 ? 186 ARG M HH21 1 ATOM 6728 H HH22 . ARG E 1 43 ? -42.04338 -62.86499 17.22421 1.000 36.45264 ? 186 ARG M HH22 1 ATOM 6729 N N . PRO E 1 44 ? -48.55852 -61.82616 23.44369 1.000 32.17570 ? 187 PRO M N 1 ATOM 6730 C CA . PRO E 1 44 ? -49.60156 -62.08644 24.44401 1.000 33.64785 ? 187 PRO M CA 1 ATOM 6731 C C . PRO E 1 44 ? -49.05188 -62.83309 25.65160 1.000 32.09784 ? 187 PRO M C 1 ATOM 6732 O O . PRO E 1 44 ? -48.37098 -63.85105 25.51984 1.000 33.47737 ? 187 PRO M O 1 ATOM 6733 C CB . PRO E 1 44 ? -50.62220 -62.93268 23.67453 1.000 34.66962 ? 187 PRO M CB 1 ATOM 6734 C CG . PRO E 1 44 ? -50.43064 -62.54702 22.24392 1.000 35.53430 ? 187 PRO M CG 1 ATOM 6735 C CD . PRO E 1 44 ? -48.96479 -62.24091 22.08683 1.000 38.33961 ? 187 PRO M CD 1 ATOM 6736 H HA . PRO E 1 44 ? -50.00722 -61.25481 24.73511 1.000 40.37419 ? 187 PRO M HA 1 ATOM 6737 H HB2 . PRO E 1 44 ? -50.43935 -63.87580 23.80864 1.000 41.60032 ? 187 PRO M HB2 1 ATOM 6738 H HB3 . PRO E 1 44 ? -51.52042 -62.72292 23.97468 1.000 41.60032 ? 187 PRO M HB3 1 ATOM 6739 H HG2 . PRO E 1 44 ? -50.69012 -63.28450 21.66974 1.000 42.63793 ? 187 PRO M HG2 1 ATOM 6740 H HG3 . PRO E 1 44 ? -50.96757 -61.76475 22.04228 1.000 42.63793 ? 187 PRO M HG3 1 ATOM 6741 H HD2 . PRO E 1 44 ? -48.47538 -63.02982 21.80575 1.000 46.00430 ? 187 PRO M HD2 1 ATOM 6742 H HD3 . PRO E 1 44 ? -48.82841 -61.52165 21.45046 1.000 46.00430 ? 187 PRO M HD3 1 ATOM 6743 N N . GLY E 1 45 ? -49.34813 -62.31476 26.83394 1.000 31.15588 ? 188 GLY M N 1 ATOM 6744 C CA . GLY E 1 45 ? -48.95511 -62.96706 28.05842 1.000 31.44611 ? 188 GLY M CA 1 ATOM 6745 C C . GLY E 1 45 ? -47.49458 -62.80717 28.40655 1.000 30.12724 ? 188 GLY M C 1 ATOM 6746 O O . GLY E 1 45 ? -47.02892 -63.42220 29.37850 1.000 32.92060 ? 188 GLY M O 1 ATOM 6747 H H . GLY E 1 45 ? -49.77980 -61.57986 26.94877 1.000 37.38383 ? 188 GLY M H 1 ATOM 6748 H HA2 . GLY E 1 45 ? -49.47769 -62.60142 28.78925 1.000 37.73210 ? 188 GLY M HA2 1 ATOM 6749 H HA3 . GLY E 1 45 ? -49.14113 -63.91591 27.98097 1.000 37.73210 ? 188 GLY M HA3 1 ATOM 6750 N N . SER E 1 46 ? -46.75999 -61.98896 27.65636 1.000 30.12917 ? 189 SER M N 1 ATOM 6751 C CA . SER E 1 46 ? -45.34396 -61.77149 27.88485 1.000 28.55392 ? 189 SER M CA 1 ATOM 6752 C C . SER E 1 46 ? -45.05215 -60.30606 28.18373 1.000 24.35688 ? 189 SER M C 1 ATOM 6753 O O . SER E 1 46 ? -45.84401 -59.40111 27.89359 1.000 21.83094 ? 189 SER M O 1 ATOM 6754 C CB . SER E 1 46 ? -44.51717 -62.17962 26.66167 1.000 31.20336 ? 189 SER M CB 1 ATOM 6755 O OG . SER E 1 46 ? -44.72555 -63.53204 26.33505 1.000 34.97549 ? 189 SER M OG 1 ATOM 6756 H H . SER E 1 46 ? -47.07247 -61.53938 26.99316 1.000 36.15178 ? 189 SER M H 1 ATOM 6757 H HA . SER E 1 46 ? -45.08151 -62.30128 28.65384 1.000 34.26148 ? 189 SER M HA 1 ATOM 6758 H HB2 . SER E 1 46 ? -44.77999 -61.62987 25.90695 1.000 37.44080 ? 189 SER M HB2 1 ATOM 6759 H HB3 . SER E 1 46 ? -43.57696 -62.04508 26.85866 1.000 37.44080 ? 189 SER M HB3 1 ATOM 6760 H HG . SER E 1 46 ? -44.23344 -63.75105 25.69049 1.000 41.96736 ? 189 SER M HG 1 ATOM 6761 N N . SER E 1 47 ? -43.87660 -60.08591 28.75829 1.000 21.18119 ? 190 SER M N 1 ATOM 6762 C CA . SER E 1 47 ? -43.39337 -58.73896 29.00821 1.000 19.90156 ? 190 SER M CA 1 ATOM 6763 C C . SER E 1 47 ? -42.84691 -58.13538 27.71608 1.000 19.59036 ? 190 SER M C 1 ATOM 6764 O O . SER E 1 47 ? -42.41919 -58.86806 26.81946 1.000 21.53301 ? 190 SER M O 1 ATOM 6765 C CB . SER E 1 47 ? -42.30902 -58.78135 30.06286 1.000 21.48917 ? 190 SER M CB 1 ATOM 6766 O OG . SER E 1 47 ? -42.82026 -59.41425 31.22678 1.000 23.07501 ? 190 SER M OG 1 ATOM 6767 H H . SER E 1 47 ? -43.33685 -60.70460 29.01422 1.000 25.41420 ? 190 SER M H 1 ATOM 6768 H HA . SER E 1 47 ? -44.11034 -58.16942 29.32834 1.000 23.87864 ? 190 SER M HA 1 ATOM 6769 H HB2 . SER E 1 47 ? -41.55146 -59.28569 29.72722 1.000 25.78378 ? 190 SER M HB2 1 ATOM 6770 H HB3 . SER E 1 47 ? -42.03497 -57.87679 30.28097 1.000 25.78378 ? 190 SER M HB3 1 ATOM 6771 H HG . SER E 1 47 ? -42.38543 -59.16827 31.90206 1.000 27.68678 ? 190 SER M HG 1 ATOM 6772 N N . PRO E 1 48 ? -42.85921 -56.80496 27.59205 1.000 19.95701 ? 191 PRO M N 1 ATOM 6773 C CA . PRO E 1 48 ? -42.27234 -56.17979 26.40363 1.000 19.50991 ? 191 PRO M CA 1 ATOM 6774 C C . PRO E 1 48 ? -40.78961 -56.48763 26.28688 1.000 20.31082 ? 191 PRO M C 1 ATOM 6775 O O . PRO E 1 48 ? -40.09892 -56.70568 27.28214 1.000 21.33981 ? 191 PRO M O 1 ATOM 6776 C CB . PRO E 1 48 ? -42.49794 -54.68472 26.64000 1.000 20.31289 ? 191 PRO M CB 1 ATOM 6777 C CG . PRO E 1 48 ? -43.65609 -54.61882 27.58412 1.000 21.72898 ? 191 PRO M CG 1 ATOM 6778 C CD . PRO E 1 48 ? -43.43189 -55.79766 28.50207 1.000 19.94855 ? 191 PRO M CD 1 ATOM 6779 H HA . PRO E 1 48 ? -42.73673 -56.46831 25.60239 1.000 23.40866 ? 191 PRO M HA 1 ATOM 6780 H HB2 . PRO E 1 48 ? -41.70498 -54.28836 27.03373 1.000 24.37223 ? 191 PRO M HB2 1 ATOM 6781 H HB3 . PRO E 1 48 ? -42.70721 -54.24474 25.80123 1.000 24.37223 ? 191 PRO M HB3 1 ATOM 6782 H HG2 . PRO E 1 48 ? -43.64251 -53.78258 28.07546 1.000 26.07155 ? 191 PRO M HG2 1 ATOM 6783 H HG3 . PRO E 1 48 ? -44.49138 -54.70476 27.09851 1.000 26.07155 ? 191 PRO M HG3 1 ATOM 6784 H HD2 . PRO E 1 48 ? -42.80843 -55.57380 29.21065 1.000 23.93503 ? 191 PRO M HD2 1 ATOM 6785 H HD3 . PRO E 1 48 ? -44.26886 -56.10734 28.88217 1.000 23.93503 ? 191 PRO M HD3 1 ATOM 6786 N N . THR E 1 49 ? -40.30111 -56.49244 25.04406 1.000 18.67798 ? 192 THR M N 1 ATOM 6787 C CA . THR E 1 49 ? -38.87744 -56.54871 24.74345 1.000 19.28368 ? 192 THR M CA 1 ATOM 6788 C C . THR E 1 49 ? -38.54910 -55.45064 23.74376 1.000 20.68612 ? 192 THR M C 1 ATOM 6789 O O . THR E 1 49 ? -39.39878 -55.03301 22.95234 1.000 20.94060 ? 192 THR M O 1 ATOM 6790 C CB . THR E 1 49 ? -38.43724 -57.88982 24.20585 1.000 21.65017 ? 192 THR M CB 1 ATOM 6791 O OG1 . THR E 1 49 ? -39.00635 -58.11854 22.90380 1.000 23.17719 ? 192 THR M OG1 1 ATOM 6792 C CG2 . THR E 1 49 ? -38.81395 -59.01977 25.14732 1.000 24.47147 ? 192 THR M CG2 1 ATOM 6793 H H . THR E 1 49 ? -40.79362 -56.46269 24.33968 1.000 22.41035 ? 192 THR M H 1 ATOM 6794 H HA . THR E 1 49 ? -38.37326 -56.40038 25.55874 1.000 23.13718 ? 192 THR M HA 1 ATOM 6795 H HB . THR E 1 49 ? -37.47038 -57.88859 24.12780 1.000 25.97698 ? 192 THR M HB 1 ATOM 6796 H HG1 . THR E 1 49 ? -38.81330 -58.89151 22.63763 1.000 27.80940 ? 192 THR M HG1 1 ATOM 6797 H HG21 . THR E 1 49 ? -38.45626 -59.85914 24.81804 1.000 29.36254 ? 192 THR M HG21 1 ATOM 6798 H HG22 . THR E 1 49 ? -38.45328 -58.84912 26.03146 1.000 29.36254 ? 192 THR M HG22 1 ATOM 6799 H HG23 . THR E 1 49 ? -39.77926 -59.09179 25.20964 1.000 29.36254 ? 192 THR M HG23 1 ATOM 6800 N N . THR E 1 50 ? -37.31003 -54.97056 23.78417 1.000 20.56063 ? 193 THR M N 1 ATOM 6801 C CA . THR E 1 50 ? -36.90912 -53.90958 22.87169 1.000 19.47435 ? 193 THR M CA 1 ATOM 6802 C C . THR E 1 50 ? -36.62905 -54.48656 21.49170 1.000 19.42953 ? 193 THR M C 1 ATOM 6803 O O . THR E 1 50 ? -35.91370 -55.48081 21.36994 1.000 21.09781 ? 193 THR M O 1 ATOM 6804 C CB . THR E 1 50 ? -35.65031 -53.23292 23.39347 1.000 20.96066 ? 193 THR M CB 1 ATOM 6805 O OG1 . THR E 1 50 ? -35.87550 -52.77453 24.73798 1.000 21.57803 ? 193 THR M OG1 1 ATOM 6806 C CG2 . THR E 1 50 ? -35.28319 -52.05437 22.52514 1.000 20.71189 ? 193 THR M CG2 1 ATOM 6807 H H . THR E 1 50 ? -36.69477 -55.23870 24.32190 1.000 24.66953 ? 193 THR M H 1 ATOM 6808 H HA . THR E 1 50 ? -37.62287 -53.25646 22.80159 1.000 23.36599 ? 193 THR M HA 1 ATOM 6809 H HB . THR E 1 50 ? -34.91468 -53.86506 23.38152 1.000 25.14956 ? 193 THR M HB 1 ATOM 6810 H HG1 . THR E 1 50 ? -36.29808 -52.04865 24.72705 1.000 25.89041 ? 193 THR M HG1 1 ATOM 6811 H HG21 . THR E 1 50 ? -34.55758 -51.55565 22.93218 1.000 24.85104 ? 193 THR M HG21 1 ATOM 6812 H HG22 . THR E 1 50 ? -35.00117 -52.36242 21.64965 1.000 24.85104 ? 193 THR M HG22 1 ATOM 6813 H HG23 . THR E 1 50 ? -36.04870 -51.46783 22.42095 1.000 24.85104 ? 193 THR M HG23 1 ATOM 6814 N N . VAL E 1 51 ? -37.16962 -53.84937 20.45446 1.000 18.88539 ? 194 VAL M N 1 ATOM 6815 C CA . VAL E 1 51 ? -36.81227 -54.19050 19.09029 1.000 20.14970 ? 194 VAL M CA 1 ATOM 6816 C C . VAL E 1 51 ? -35.96944 -53.11473 18.41305 1.000 19.93494 ? 194 VAL M C 1 ATOM 6817 O O . VAL E 1 51 ? -35.14450 -53.45183 17.55671 1.000 20.39275 ? 194 VAL M O 1 ATOM 6818 C CB . VAL E 1 51 ? -37.98838 -54.61752 18.18688 1.000 20.94343 ? 194 VAL M CB 1 ATOM 6819 C CG1 . VAL E 1 51 ? -38.52340 -55.97222 18.64322 1.000 23.07734 ? 194 VAL M CG1 1 ATOM 6820 C CG2 . VAL E 1 51 ? -39.10549 -53.57293 18.13198 1.000 22.63769 ? 194 VAL M CG2 1 ATOM 6821 H H . VAL E 1 51 ? -37.74661 -53.21506 20.52032 1.000 22.65924 ? 194 VAL M H 1 ATOM 6822 H HA . VAL E 1 51 ? -36.26474 -54.98791 19.16275 1.000 24.17641 ? 194 VAL M HA 1 ATOM 6823 H HB . VAL E 1 51 ? -37.65496 -54.69586 17.27936 1.000 25.12889 ? 194 VAL M HB 1 ATOM 6824 H HG11 . VAL E 1 51 ? -39.23869 -56.24604 18.04800 1.000 27.68958 ? 194 VAL M HG11 1 ATOM 6825 H HG12 . VAL E 1 51 ? -37.80340 -56.62164 18.61577 1.000 27.68958 ? 194 VAL M HG12 1 ATOM 6826 H HG13 . VAL E 1 51 ? -38.86021 -55.88986 19.54913 1.000 27.68958 ? 194 VAL M HG13 1 ATOM 6827 H HG21 . VAL E 1 51 ? -39.80604 -53.89051 17.54099 1.000 27.16200 ? 194 VAL M HG21 1 ATOM 6828 H HG22 . VAL E 1 51 ? -39.46020 -53.44264 19.02534 1.000 27.16200 ? 194 VAL M HG22 1 ATOM 6829 H HG23 . VAL E 1 51 ? -38.74179 -52.73898 17.79561 1.000 27.16200 ? 194 VAL M HG23 1 ATOM 6830 N N . ILE E 1 52 ? -36.14724 -51.83721 18.78439 1.000 19.32896 ? 195 ILE M N 1 ATOM 6831 C CA . ILE E 1 52 ? -35.34364 -50.72274 18.28906 1.000 18.32894 ? 195 ILE M CA 1 ATOM 6832 C C . ILE E 1 52 ? -35.13758 -49.75170 19.44808 1.000 19.66616 ? 195 ILE M C 1 ATOM 6833 O O . ILE E 1 52 ? -36.06238 -49.48612 20.21538 1.000 19.37594 ? 195 ILE M O 1 ATOM 6834 C CB . ILE E 1 52 ? -36.04363 -49.98471 17.12214 1.000 19.43480 ? 195 ILE M CB 1 ATOM 6835 C CG1 . ILE E 1 52 ? -36.17546 -50.87302 15.86056 1.000 20.35238 ? 195 ILE M CG1 1 ATOM 6836 C CG2 . ILE E 1 52 ? -35.31755 -48.67659 16.81431 1.000 20.11756 ? 195 ILE M CG2 1 ATOM 6837 C CD1 . ILE E 1 52 ? -34.87509 -51.13341 15.12687 1.000 22.16842 ? 195 ILE M CD1 1 ATOM 6838 H H . ILE E 1 52 ? -36.75135 -51.58798 19.34345 1.000 23.19152 ? 195 ILE M H 1 ATOM 6839 H HA . ILE E 1 52 ? -34.48786 -51.05842 17.97947 1.000 21.99149 ? 195 ILE M HA 1 ATOM 6840 H HB . ILE E 1 52 ? -36.94793 -49.77868 17.40622 1.000 23.31853 ? 195 ILE M HB 1 ATOM 6841 H HG12 . ILE E 1 52 ? -36.53753 -51.73285 16.12609 1.000 24.41963 ? 195 ILE M HG12 1 ATOM 6842 H HG13 . ILE E 1 52 ? -36.77868 -50.43678 15.23869 1.000 24.41963 ? 195 ILE M HG13 1 ATOM 6843 H HG21 . ILE E 1 52 ? -35.47784 -48.43681 15.88818 1.000 24.13784 ? 195 ILE M HG21 1 ATOM 6844 H HG22 . ILE E 1 52 ? -35.65726 -47.98157 17.39949 1.000 24.13784 ? 195 ILE M HG22 1 ATOM 6845 H HG23 . ILE E 1 52 ? -34.36720 -48.80003 16.96431 1.000 24.13784 ? 195 ILE M HG23 1 ATOM 6846 H HD11 . ILE E 1 52 ? -35.03904 -51.76293 14.40735 1.000 26.59888 ? 195 ILE M HD11 1 ATOM 6847 H HD12 . ILE E 1 52 ? -34.54355 -50.29666 14.76516 1.000 26.59888 ? 195 ILE M HD12 1 ATOM 6848 H HD13 . ILE E 1 52 ? -34.22982 -51.50339 15.74948 1.000 26.59888 ? 195 ILE M HD13 1 ATOM 6849 N N . TYR E 1 53 ? -33.93098 -49.22063 19.57518 1.000 19.38686 ? 196 TYR M N 1 ATOM 6850 C CA . TYR E 1 53 ? -33.66867 -48.14445 20.51601 1.000 19.74273 ? 196 TYR M CA 1 ATOM 6851 C C . TYR E 1 53 ? -32.89647 -47.03761 19.81782 1.000 20.29250 ? 196 TYR M C 1 ATOM 6852 O O . TYR E 1 53 ? -32.26919 -47.25030 18.78564 1.000 20.47956 ? 196 TYR M O 1 ATOM 6853 C CB . TYR E 1 53 ? -32.90241 -48.63877 21.74914 1.000 21.67402 ? 196 TYR M CB 1 ATOM 6854 C CG . TYR E 1 53 ? -31.52423 -49.16782 21.45070 1.000 21.88869 ? 196 TYR M CG 1 ATOM 6855 C CD1 . TYR E 1 53 ? -31.33961 -50.47852 21.04265 1.000 23.84849 ? 196 TYR M CD1 1 ATOM 6856 C CD2 . TYR E 1 53 ? -30.40293 -48.36284 21.62488 1.000 22.98298 ? 196 TYR M CD2 1 ATOM 6857 C CE1 . TYR E 1 53 ? -30.05448 -50.97893 20.79516 1.000 24.23179 ? 196 TYR M CE1 1 ATOM 6858 C CE2 . TYR E 1 53 ? -29.12565 -48.84114 21.38068 1.000 23.97389 ? 196 TYR M CE2 1 ATOM 6859 C CZ . TYR E 1 53 ? -28.96756 -50.15833 20.95798 1.000 24.71533 ? 196 TYR M CZ 1 ATOM 6860 O OH . TYR E 1 53 ? -27.71207 -50.65640 20.69963 1.000 26.53141 ? 196 TYR M OH 1 ATOM 6861 H H . TYR E 1 53 ? -33.24263 -49.46913 19.12350 1.000 23.26100 ? 196 TYR M H 1 ATOM 6862 H HA . TYR E 1 53 ? -34.51067 -47.77333 20.82296 1.000 23.68805 ? 196 TYR M HA 1 ATOM 6863 H HB2 . TYR E 1 53 ? -32.80549 -47.90013 22.37037 1.000 26.00559 ? 196 TYR M HB2 1 ATOM 6864 H HB3 . TYR E 1 53 ? -33.40919 -49.35533 22.16217 1.000 26.00559 ? 196 TYR M HB3 1 ATOM 6865 H HD1 . TYR E 1 53 ? -32.07774 -51.03325 20.93157 1.000 28.61495 ? 196 TYR M HD1 1 ATOM 6866 H HD2 . TYR E 1 53 ? -30.51305 -47.48494 21.91135 1.000 27.57635 ? 196 TYR M HD2 1 ATOM 6867 H HE1 . TYR E 1 53 ? -29.93936 -51.86061 20.52260 1.000 29.07492 ? 196 TYR M HE1 1 ATOM 6868 H HE2 . TYR E 1 53 ? -28.38515 -48.29072 21.49734 1.000 28.76544 ? 196 TYR M HE2 1 ATOM 6869 H HH . TYR E 1 53 ? -27.15259 -50.03010 20.68182 1.000 31.83446 ? 196 TYR M HH 1 ATOM 6870 N N . GLU E 1 54 ? -32.95185 -45.84424 20.39265 1.000 22.56850 ? 197 GLU M N 1 ATOM 6871 C CA . GLU E 1 54 ? -32.22154 -44.70342 19.87214 1.000 24.38577 ? 197 GLU M CA 1 ATOM 6872 C C . GLU E 1 54 ? -32.55554 -44.45152 18.40672 1.000 23.99940 ? 197 GLU M C 1 ATOM 6873 O O . GLU E 1 54 ? -31.66970 -44.23030 17.57536 1.000 23.60446 ? 197 GLU M O 1 ATOM 6874 C CB . GLU E 1 54 ? -30.72582 -44.90030 20.05651 1.000 26.73241 ? 197 GLU M CB 1 ATOM 6875 C CG . GLU E 1 54 ? -30.09573 -43.92973 20.97134 1.000 28.41058 ? 197 GLU M CG 1 ATOM 6876 C CD . GLU E 1 54 ? -28.69608 -44.34681 21.30883 1.000 31.56586 ? 197 GLU M CD 1 ATOM 6877 O OE1 . GLU E 1 54 ? -28.08843 -45.04716 20.47571 1.000 30.16981 ? 197 GLU M OE1 1 ATOM 6878 O OE2 . GLU E 1 54 ? -28.23171 -44.00102 22.42016 1.000 38.03243 -1 197 GLU M OE2 1 ATOM 6879 H H . GLU E 1 54 ? -33.41372 -45.66945 21.09673 1.000 27.07897 ? 197 GLU M H 1 ATOM 6880 H HA . GLU E 1 54 ? -32.49364 -43.91653 20.36979 1.000 29.25969 ? 197 GLU M HA 1 ATOM 6881 H HB2 . GLU E 1 54 ? -30.57213 -45.78740 20.41752 1.000 32.07566 ? 197 GLU M HB2 1 ATOM 6882 H HB3 . GLU E 1 54 ? -30.29304 -44.81409 19.19270 1.000 32.07566 ? 197 GLU M HB3 1 ATOM 6883 H HG2 . GLU E 1 54 ? -30.06358 -43.05837 20.54639 1.000 34.08946 ? 197 GLU M HG2 1 ATOM 6884 H HG3 . GLU E 1 54 ? -30.60882 -43.87941 21.79299 1.000 34.08946 ? 197 GLU M HG3 1 ATOM 6885 N N . ASP E 1 55 ? -33.85522 -44.50916 18.10559 1.000 22.20405 ? 198 ASP M N 1 ATOM 6886 C CA . ASP E 1 55 ? -34.41278 -44.21405 16.79070 1.000 22.61101 ? 198 ASP M CA 1 ATOM 6887 C C . ASP E 1 55 ? -34.24097 -45.35672 15.79296 1.000 21.95316 ? 198 ASP M C 1 ATOM 6888 O O . ASP E 1 55 ? -35.18621 -45.71422 15.08380 1.000 20.55137 ? 198 ASP M O 1 ATOM 6889 C CB . ASP E 1 55 ? -33.78616 -42.95326 16.17607 1.000 24.91540 ? 198 ASP M CB 1 ATOM 6890 C CG . ASP E 1 55 ? -34.04614 -41.68471 16.96332 1.000 30.32221 ? 198 ASP M CG 1 ATOM 6891 O OD1 . ASP E 1 55 ? -35.03900 -41.58589 17.70216 1.000 25.90703 ? 198 ASP M OD1 1 ATOM 6892 O OD2 . ASP E 1 55 ? -33.21620 -40.74687 16.83121 1.000 35.49959 -1 198 ASP M OD2 1 ATOM 6893 H H . ASP E 1 55 ? -34.46154 -44.72755 18.67505 1.000 26.64163 ? 198 ASP M H 1 ATOM 6894 H HA . ASP E 1 55 ? -35.36108 -44.07204 16.93716 1.000 27.12998 ? 198 ASP M HA 1 ATOM 6895 H HB2 . ASP E 1 55 ? -32.82532 -43.07656 16.12614 1.000 29.89525 ? 198 ASP M HB2 1 ATOM 6896 H HB3 . ASP E 1 55 ? -34.15113 -42.82705 15.28626 1.000 29.89525 ? 198 ASP M HB3 1 ATOM 6897 N N . ASN E 1 56 ? -33.03893 -45.91407 15.70769 1.000 21.97903 ? 199 ASN M N 1 ATOM 6898 C CA . ASN E 1 56 ? -32.72151 -46.82982 14.61957 1.000 20.67103 ? 199 ASN M CA 1 ATOM 6899 C C . ASN E 1 56 ? -31.74032 -47.93783 14.99112 1.000 20.53448 ? 199 ASN M C 1 ATOM 6900 O O . ASN E 1 56 ? -31.22451 -48.59596 14.08240 1.000 22.86549 ? 199 ASN M O 1 ATOM 6901 C CB . ASN E 1 56 ? -32.16090 -46.05437 13.41325 1.000 24.35552 ? 199 ASN M CB 1 ATOM 6902 C CG . ASN E 1 56 ? -30.87936 -45.29165 13.75027 1.000 27.46648 ? 199 ASN M CG 1 ATOM 6903 O OD1 . ASN E 1 56 ? -30.27361 -45.49766 14.79742 1.000 26.77514 ? 199 ASN M OD1 1 ATOM 6904 N ND2 . ASN E 1 56 ? -30.46253 -44.40721 12.84368 1.000 33.56396 ? 199 ASN M ND2 1 ATOM 6905 H H . ASN E 1 56 ? -32.39439 -45.78070 16.26121 1.000 26.37161 ? 199 ASN M H 1 ATOM 6906 H HA . ASN E 1 56 ? -33.55154 -47.25962 14.36032 1.000 24.80201 ? 199 ASN M HA 1 ATOM 6907 H HB2 . ASN E 1 56 ? -31.95966 -46.68024 12.70003 1.000 29.22339 ? 199 ASN M HB2 1 ATOM 6908 H HB3 . ASN E 1 56 ? -32.82327 -45.41206 13.11391 1.000 29.22339 ? 199 ASN M HB3 1 ATOM 6909 H HD21 . ASN E 1 56 ? -30.90938 -44.29227 12.11793 1.000 40.27352 ? 199 ASN M HD21 1 ATOM 6910 H HD22 . ASN E 1 56 ? -29.74683 -43.95171 12.98470 1.000 40.27352 ? 199 ASN M HD22 1 ATOM 6911 N N . GLN E 1 57 ? -31.45474 -48.16330 16.26563 1.000 21.43273 ? 200 GLN M N 1 ATOM 6912 C CA . GLN E 1 57 ? -30.48614 -49.16751 16.67037 1.000 21.56843 ? 200 GLN M CA 1 ATOM 6913 C C . GLN E 1 57 ? -31.20785 -50.46275 17.00275 1.000 22.22858 ? 200 GLN M C 1 ATOM 6914 O O . GLN E 1 57 ? -32.26300 -50.45844 17.64353 1.000 21.67283 ? 200 GLN M O 1 ATOM 6915 C CB . GLN E 1 57 ? -29.67528 -48.72515 17.89314 1.000 21.84277 ? 200 GLN M CB 1 ATOM 6916 C CG . GLN E 1 57 ? -28.90445 -47.44015 17.71054 1.000 23.82384 ? 200 GLN M CG 1 ATOM 6917 C CD . GLN E 1 57 ? -27.78611 -47.60198 16.72730 1.000 27.36005 ? 200 GLN M CD 1 ATOM 6918 O OE1 . GLN E 1 57 ? -26.78952 -48.25954 17.01320 1.000 29.37420 ? 200 GLN M OE1 1 ATOM 6919 N NE2 . GLN E 1 57 ? -27.95172 -47.02103 15.54192 1.000 29.51241 ? 200 GLN M NE2 1 ATOM 6920 H H . GLN E 1 57 ? -31.81472 -47.74074 16.92249 1.000 25.71605 ? 200 GLN M H 1 ATOM 6921 H HA . GLN E 1 57 ? -29.86735 -49.31373 15.93783 1.000 25.87889 ? 200 GLN M HA 1 ATOM 6922 H HB2 . GLN E 1 57 ? -30.28493 -48.59647 18.63656 1.000 26.20809 ? 200 GLN M HB2 1 ATOM 6923 H HB3 . GLN E 1 57 ? -29.03477 -49.42178 18.10611 1.000 26.20809 ? 200 GLN M HB3 1 ATOM 6924 H HG2 . GLN E 1 57 ? -29.50287 -46.75165 17.38074 1.000 28.58538 ? 200 GLN M HG2 1 ATOM 6925 H HG3 . GLN E 1 57 ? -28.52525 -47.17029 18.56159 1.000 28.58538 ? 200 GLN M HG3 1 ATOM 6926 H HE21 . GLN E 1 57 ? -28.67213 -46.58193 15.37515 1.000 35.41167 ? 200 GLN M HE21 1 ATOM 6927 H HE22 . GLN E 1 57 ? -27.33837 -47.08459 14.94246 1.000 35.41167 ? 200 GLN M HE22 1 ATOM 6928 N N . ARG E 1 58 ? -30.60515 -51.57424 16.61450 1.000 24.45025 ? 201 ARG M N 1 ATOM 6929 C CA . ARG E 1 58 ? -31.22422 -52.87043 16.79624 1.000 25.91704 ? 201 ARG M CA 1 ATOM 6930 C C . ARG E 1 58 ? -30.45161 -53.67284 17.83182 1.000 28.58844 ? 201 ARG M C 1 ATOM 6931 O O . ARG E 1 58 ? -29.23261 -53.86348 17.67920 1.000 28.83660 ? 201 ARG M O 1 ATOM 6932 C CB . ARG E 1 58 ? -31.24109 -53.60571 15.46362 1.000 30.48714 ? 201 ARG M CB 1 ATOM 6933 C CG . ARG E 1 58 ? -32.26956 -54.67774 15.40301 1.000 35.12965 ? 201 ARG M CG 1 ATOM 6934 C CD . ARG E 1 58 ? -32.43205 -55.20519 13.98955 1.000 39.12653 ? 201 ARG M CD 1 ATOM 6935 N NE . ARG E 1 58 ? -31.15606 -55.43098 13.32757 1.000 43.53792 ? 201 ARG M NE 1 ATOM 6936 C CZ . ARG E 1 58 ? -30.75267 -54.77400 12.25097 1.000 48.90448 ? 201 ARG M CZ 1 ATOM 6937 N NH1 . ARG E 1 58 ? -31.52525 -53.87522 11.66002 1.000 49.18490 ? 201 ARG M NH1 1 ATOM 6938 N NH2 . ARG E 1 58 ? -29.55188 -55.03297 11.74721 1.000 49.60650 ? 201 ARG M NH2 1 ATOM 6939 H H . ARG E 1 58 ? -29.83118 -51.60165 16.24057 1.000 29.33706 ? 201 ARG M H 1 ATOM 6940 H HA . ARG E 1 58 ? -32.13215 -52.76194 17.11997 1.000 31.09721 ? 201 ARG M HA 1 ATOM 6941 H HB2 . ARG E 1 58 ? -31.42984 -52.96976 14.75591 1.000 36.58134 ? 201 ARG M HB2 1 ATOM 6942 H HB3 . ARG E 1 58 ? -30.37359 -54.01495 15.31922 1.000 36.58134 ? 201 ARG M HB3 1 ATOM 6943 H HG2 . ARG E 1 58 ? -32.00185 -55.41380 15.97523 1.000 42.15235 ? 201 ARG M HG2 1 ATOM 6944 H HG3 . ARG E 1 58 ? -33.12299 -54.32248 15.69687 1.000 42.15235 ? 201 ARG M HG3 1 ATOM 6945 H HD2 . ARG E 1 58 ? -32.90884 -56.04941 14.01909 1.000 46.94861 ? 201 ARG M HD2 1 ATOM 6946 H HD3 . ARG E 1 58 ? -32.93225 -54.55982 13.46592 1.000 46.94861 ? 201 ARG M HD3 1 ATOM 6947 H HE . ARG E 1 58 ? -30.63142 -56.02810 13.65588 1.000 52.24227 ? 201 ARG M HE 1 ATOM 6948 H HH11 . ARG E 1 58 ? -32.30782 -53.70740 11.97470 1.000 59.01865 ? 201 ARG M HH11 1 ATOM 6949 H HH12 . ARG E 1 58 ? -31.24438 -53.45940 10.96159 1.000 59.01865 ? 201 ARG M HH12 1 ATOM 6950 H HH21 . ARG E 1 58 ? -29.04696 -55.62105 12.11979 1.000 59.52457 ? 201 ARG M HH21 1 ATOM 6951 H HH22 . ARG E 1 58 ? -29.27899 -54.61264 11.04831 1.000 59.52457 ? 201 ARG M HH22 1 ATOM 6952 N N . PRO E 1 59 ? -31.10331 -54.13871 18.89853 1.000 29.79815 ? 202 PRO M N 1 ATOM 6953 C CA . PRO E 1 59 ? -30.41649 -55.00818 19.85582 1.000 30.92837 ? 202 PRO M CA 1 ATOM 6954 C C . PRO E 1 59 ? -29.95412 -56.28548 19.17925 1.000 33.98593 ? 202 PRO M C 1 ATOM 6955 O O . PRO E 1 59 ? -30.56356 -56.76434 18.22069 1.000 34.89254 ? 202 PRO M O 1 ATOM 6956 C CB . PRO E 1 59 ? -31.48969 -55.30375 20.91056 1.000 30.51075 ? 202 PRO M CB 1 ATOM 6957 C CG . PRO E 1 59 ? -32.49454 -54.19401 20.77652 1.000 29.68227 ? 202 PRO M CG 1 ATOM 6958 C CD . PRO E 1 59 ? -32.47880 -53.82264 19.31973 1.000 28.88542 ? 202 PRO M CD 1 ATOM 6959 H HA . PRO E 1 59 ? -29.66773 -54.55091 20.26954 1.000 37.11082 ? 202 PRO M HA 1 ATOM 6960 H HB2 . PRO E 1 59 ? -31.89898 -56.16463 20.73094 1.000 36.60967 ? 202 PRO M HB2 1 ATOM 6961 H HB3 . PRO E 1 59 ? -31.09057 -55.30415 21.79464 1.000 36.60967 ? 202 PRO M HB3 1 ATOM 6962 H HG2 . PRO E 1 59 ? -33.37203 -54.50945 21.04373 1.000 35.61549 ? 202 PRO M HG2 1 ATOM 6963 H HG3 . PRO E 1 59 ? -32.23035 -53.44130 21.32836 1.000 35.61549 ? 202 PRO M HG3 1 ATOM 6964 H HD2 . PRO E 1 59 ? -33.12151 -54.35225 18.82240 1.000 34.65928 ? 202 PRO M HD2 1 ATOM 6965 H HD3 . PRO E 1 59 ? -32.66619 -52.87809 19.20311 1.000 34.65928 ? 202 PRO M HD3 1 ATOM 6966 N N . SER E 1 60 ? -28.84713 -56.83693 19.67549 1.000 39.67994 ? 203 SER M N 1 ATOM 6967 C CA . SER E 1 60 ? -28.44355 -58.15677 19.21404 1.000 44.22397 ? 203 SER M CA 1 ATOM 6968 C C . SER E 1 60 ? -29.57574 -59.14240 19.45550 1.000 41.61491 ? 203 SER M C 1 ATOM 6969 O O . SER E 1 60 ? -30.29138 -59.06306 20.45959 1.000 40.29322 ? 203 SER M O 1 ATOM 6970 C CB . SER E 1 60 ? -27.16512 -58.60936 19.92379 1.000 53.38324 ? 203 SER M CB 1 ATOM 6971 O OG . SER E 1 60 ? -26.04907 -58.19882 19.15931 1.000 62.98968 ? 203 SER M OG 1 ATOM 6972 H H . SER E 1 60 ? -28.33069 -56.47693 20.26140 1.000 47.61269 ? 203 SER M H 1 ATOM 6973 H HA . SER E 1 60 ? -28.24728 -58.13292 18.26440 1.000 53.06553 ? 203 SER M HA 1 ATOM 6974 H HB2 . SER E 1 60 ? -27.12206 -58.20308 20.80355 1.000 64.05666 ? 203 SER M HB2 1 ATOM 6975 H HB3 . SER E 1 60 ? -27.16443 -59.57601 20.00438 1.000 64.05666 ? 203 SER M HB3 1 ATOM 6976 H HG . SER E 1 60 ? -25.34028 -58.47951 19.51204 1.000 75.58438 ? 203 SER M HG 1 ATOM 6977 N N . GLY E 1 61 ? -29.77251 -60.03971 18.49862 1.000 38.94467 ? 204 GLY M N 1 ATOM 6978 C CA . GLY E 1 61 ? -30.84663 -60.99995 18.56120 1.000 35.65645 ? 204 GLY M CA 1 ATOM 6979 C C . GLY E 1 61 ? -32.11778 -60.58526 17.85024 1.000 33.27668 ? 204 GLY M C 1 ATOM 6980 O O . GLY E 1 61 ? -32.95364 -61.44596 17.56762 1.000 34.84339 ? 204 GLY M O 1 ATOM 6981 H H . GLY E 1 61 ? -29.28476 -60.10776 17.79359 1.000 46.73037 ? 204 GLY M H 1 ATOM 6982 H HA2 . GLY E 1 61 ? -30.54334 -61.83086 18.16307 1.000 42.78451 ? 204 GLY M HA2 1 ATOM 6983 H HA3 . GLY E 1 61 ? -31.06736 -61.15805 19.49243 1.000 42.78451 ? 204 GLY M HA3 1 ATOM 6984 N N . VAL E 1 62 ? -32.29262 -59.30355 17.56310 1.000 29.19645 ? 205 VAL M N 1 ATOM 6985 C CA . VAL E 1 62 ? -33.48590 -58.86746 16.81382 1.000 27.96739 ? 205 VAL M CA 1 ATOM 6986 C C . VAL E 1 62 ? -33.23146 -59.04471 15.35495 1.000 29.29265 ? 205 VAL M C 1 ATOM 6987 O O . VAL E 1 62 ? -32.17184 -58.61672 14.84608 1.000 30.40992 ? 205 VAL M O 1 ATOM 6988 C CB . VAL E 1 62 ? -33.80441 -57.41603 17.15884 1.000 27.16766 ? 205 VAL M CB 1 ATOM 6989 C CG1 . VAL E 1 62 ? -34.96263 -56.91576 16.28859 1.000 25.93837 ? 205 VAL M CG1 1 ATOM 6990 C CG2 . VAL E 1 62 ? -34.14220 -57.25114 18.64009 1.000 26.25941 ? 205 VAL M CG2 1 ATOM 6991 H H . VAL E 1 62 ? -31.75197 -58.67150 17.78176 1.000 35.03251 ? 205 VAL M H 1 ATOM 6992 H HA . VAL E 1 62 ? -34.24910 -59.41761 17.04994 1.000 33.55763 ? 205 VAL M HA 1 ATOM 6993 H HB . VAL E 1 62 ? -33.01714 -56.87820 16.98037 1.000 32.59796 ? 205 VAL M HB 1 ATOM 6994 H HG11 . VAL E 1 62 ? -35.25719 -56.05315 16.62032 1.000 31.12281 ? 205 VAL M HG11 1 ATOM 6995 H HG12 . VAL E 1 62 ? -34.65538 -56.83050 15.37250 1.000 31.12281 ? 205 VAL M HG12 1 ATOM 6996 H HG13 . VAL E 1 62 ? -35.69126 -57.55438 16.33503 1.000 31.12281 ? 205 VAL M HG13 1 ATOM 6997 H HG21 . VAL E 1 62 ? -34.29609 -56.31169 18.82623 1.000 31.50806 ? 205 VAL M HG21 1 ATOM 6998 H HG22 . VAL E 1 62 ? -34.94116 -57.76330 18.84071 1.000 31.50806 ? 205 VAL M HG22 1 ATOM 6999 H HG23 . VAL E 1 62 ? -33.39876 -57.57621 19.17162 1.000 31.50806 ? 205 VAL M HG23 1 ATOM 7000 N N . PRO E 1 63 ? -34.13929 -59.67931 14.58575 1.000 30.67565 ? 206 PRO M N 1 ATOM 7001 C CA . PRO E 1 63 ? -33.90269 -59.89523 13.15703 1.000 32.02992 ? 206 PRO M CA 1 ATOM 7002 C C . PRO E 1 63 ? -33.61996 -58.59144 12.41788 1.000 28.02680 ? 206 PRO M C 1 ATOM 7003 O O . PRO E 1 63 ? -34.21977 -57.54983 12.70017 1.000 25.57811 ? 206 PRO M O 1 ATOM 7004 C CB . PRO E 1 63 ? -35.20494 -60.53346 12.67453 1.000 32.04297 ? 206 PRO M CB 1 ATOM 7005 C CG . PRO E 1 63 ? -35.75848 -61.22478 13.88209 1.000 33.02125 ? 206 PRO M CG 1 ATOM 7006 C CD . PRO E 1 63 ? -35.40704 -60.30127 15.03291 1.000 31.43371 ? 206 PRO M CD 1 ATOM 7007 H HA . PRO E 1 63 ? -33.16035 -60.50657 13.03011 1.000 38.43267 ? 206 PRO M HA 1 ATOM 7008 H HB2 . PRO E 1 63 ? -35.81255 -59.84734 12.35681 1.000 38.44833 ? 206 PRO M HB2 1 ATOM 7009 H HB3 . PRO E 1 63 ? -35.02002 -61.16764 11.96423 1.000 38.44833 ? 206 PRO M HB3 1 ATOM 7010 H HG2 . PRO E 1 63 ? -36.71928 -61.32737 13.79700 1.000 39.62227 ? 206 PRO M HG2 1 ATOM 7011 H HG3 . PRO E 1 63 ? -35.34041 -62.09331 13.99058 1.000 39.62227 ? 206 PRO M HG3 1 ATOM 7012 H HD2 . PRO E 1 63 ? -36.09565 -59.63026 15.16123 1.000 37.71723 ? 206 PRO M HD2 1 ATOM 7013 H HD3 . PRO E 1 63 ? -35.27629 -60.80342 15.85245 1.000 37.71723 ? 206 PRO M HD3 1 ATOM 7014 N N . ASP E 1 64 ? -32.72865 -58.67049 11.41840 1.000 28.99294 ? 207 ASP M N 1 ATOM 7015 C CA . ASP E 1 64 ? -32.43093 -57.47644 10.64502 1.000 28.18466 ? 207 ASP M CA 1 ATOM 7016 C C . ASP E 1 64 ? -33.60405 -57.03192 9.77098 1.000 27.37089 ? 207 ASP M C 1 ATOM 7017 O O . ASP E 1 64 ? -33.50001 -55.97627 9.13294 1.000 29.06578 ? 207 ASP M O 1 ATOM 7018 C CB . ASP E 1 64 ? -31.17196 -57.66742 9.78838 1.000 33.22234 ? 207 ASP M CB 1 ATOM 7019 C CG . ASP E 1 64 ? -31.28099 -58.81027 8.78840 1.000 37.60166 ? 207 ASP M CG 1 ATOM 7020 O OD1 . ASP E 1 64 ? -32.39294 -59.32801 8.55078 1.000 38.44018 ? 207 ASP M OD1 1 ATOM 7021 O OD2 . ASP E 1 64 ? -30.22218 -59.19488 8.22312 1.000 42.49214 -1 207 ASP M OD2 1 ATOM 7022 H H . ASP E 1 64 ? -32.30396 -59.38076 11.18442 1.000 34.78830 ? 207 ASP M H 1 ATOM 7023 H HA . ASP E 1 64 ? -32.23349 -56.75905 11.26732 1.000 33.81836 ? 207 ASP M HA 1 ATOM 7024 H HB2 . ASP E 1 64 ? -31.00669 -56.85216 9.28945 1.000 39.86358 ? 207 ASP M HB2 1 ATOM 7025 H HB3 . ASP E 1 64 ? -30.42154 -57.85632 10.37327 1.000 39.86358 ? 207 ASP M HB3 1 ATOM 7026 N N . ARG E 1 65 ? -34.70925 -57.78829 9.73700 1.000 25.08217 ? 208 ARG M N 1 ATOM 7027 C CA . ARG E 1 65 ? -35.90991 -57.32755 9.05055 1.000 24.53220 ? 208 ARG M CA 1 ATOM 7028 C C . ARG E 1 65 ? -36.57614 -56.15926 9.76973 1.000 24.05189 ? 208 ARG M C 1 ATOM 7029 O O . ARG E 1 65 ? -37.41274 -55.48092 9.16899 1.000 24.07561 ? 208 ARG M O 1 ATOM 7030 C CB . ARG E 1 65 ? -36.91604 -58.47757 8.95681 1.000 27.31880 ? 208 ARG M CB 1 ATOM 7031 C CG . ARG E 1 65 ? -36.39477 -59.70086 8.23396 1.000 30.08258 ? 208 ARG M CG 1 ATOM 7032 C CD . ARG E 1 65 ? -37.42690 -60.82205 8.20234 1.000 33.53721 ? 208 ARG M CD 1 ATOM 7033 N NE . ARG E 1 65 ? -37.71948 -61.37792 9.51803 1.000 31.45619 ? 208 ARG M NE 1 ATOM 7034 C CZ . ARG E 1 65 ? -38.83135 -61.13585 10.20424 1.000 31.41839 ? 208 ARG M CZ 1 ATOM 7035 N NH1 . ARG E 1 65 ? -39.75496 -60.31308 9.75114 1.000 29.93471 ? 208 ARG M NH1 1 ATOM 7036 N NH2 . ARG E 1 65 ? -39.01761 -61.72902 11.37835 1.000 30.76383 ? 208 ARG M NH2 1 ATOM 7037 H H . ARG E 1 65 ? -34.78380 -58.56362 10.10157 1.000 30.09538 ? 208 ARG M H 1 ATOM 7038 H HA . ARG E 1 65 ? -35.66422 -57.04078 8.15708 1.000 29.43541 ? 208 ARG M HA 1 ATOM 7039 H HB2 . ARG E 1 65 ? -37.16131 -58.74894 9.85520 1.000 32.77933 ? 208 ARG M HB2 1 ATOM 7040 H HB3 . ARG E 1 65 ? -37.70021 -58.16528 8.47885 1.000 32.77933 ? 208 ARG M HB3 1 ATOM 7041 H HG2 . ARG E 1 65 ? -36.17632 -59.46339 7.31920 1.000 36.09587 ? 208 ARG M HG2 1 ATOM 7042 H HG3 . ARG E 1 65 ? -35.60377 -60.02911 8.68945 1.000 36.09587 ? 208 ARG M HG3 1 ATOM 7043 H HD2 . ARG E 1 65 ? -38.25533 -60.47555 7.83552 1.000 40.24142 ? 208 ARG M HD2 1 ATOM 7044 H HD3 . ARG E 1 65 ? -37.09198 -61.54109 7.64404 1.000 40.24142 ? 208 ARG M HD3 1 ATOM 7045 H HE . ARG E 1 65 ? -37.13337 -61.89711 9.87373 1.000 37.74420 ? 208 ARG M HE 1 ATOM 7046 H HH11 . ARG E 1 65 ? -40.46724 -60.17065 10.21154 1.000 35.91842 ? 208 ARG M HH11 1 ATOM 7047 H HH12 . ARG E 1 65 ? -39.64565 -59.91836 8.99493 1.000 35.91842 ? 208 ARG M HH12 1 ATOM 7048 H HH21 . ARG E 1 65 ? -38.42097 -62.26498 11.68880 1.000 36.91336 ? 208 ARG M HH21 1 ATOM 7049 H HH22 . ARG E 1 65 ? -39.73481 -61.57703 11.82793 1.000 36.91336 ? 208 ARG M HH22 1 ATOM 7050 N N . PHE E 1 66 ? -36.23339 -55.92031 11.03589 1.000 22.51343 ? 209 PHE M N 1 ATOM 7051 C CA . PHE E 1 66 ? -36.77760 -54.80760 11.80511 1.000 22.50591 ? 209 PHE M CA 1 ATOM 7052 C C . PHE E 1 66 ? -35.85181 -53.60303 11.67970 1.000 22.11852 ? 209 PHE M C 1 ATOM 7053 O O . PHE E 1 66 ? -34.64055 -53.71644 11.90176 1.000 23.68557 ? 209 PHE M O 1 ATOM 7054 C CB . PHE E 1 66 ? -36.83964 -55.19917 13.28767 1.000 24.88883 ? 209 PHE M CB 1 ATOM 7055 C CG . PHE E 1 66 ? -37.90870 -56.18945 13.62077 1.000 25.19985 ? 209 PHE M CG 1 ATOM 7056 C CD1 . PHE E 1 66 ? -37.76587 -57.51869 13.27571 1.000 26.87216 ? 209 PHE M CD1 1 ATOM 7057 C CD2 . PHE E 1 66 ? -39.06224 -55.78595 14.26945 1.000 26.16545 ? 209 PHE M CD2 1 ATOM 7058 C CE1 . PHE E 1 66 ? -38.76248 -58.43434 13.56412 1.000 28.40890 ? 209 PHE M CE1 1 ATOM 7059 C CE2 . PHE E 1 66 ? -40.07038 -56.70088 14.56177 1.000 25.99434 ? 209 PHE M CE2 1 ATOM 7060 C CZ . PHE E 1 66 ? -39.91747 -58.01600 14.22528 1.000 26.67826 ? 209 PHE M CZ 1 ATOM 7061 H H . PHE E 1 66 ? -35.67465 -56.40076 11.47926 1.000 27.01288 ? 209 PHE M H 1 ATOM 7062 H HA . PHE E 1 66 ? -37.66032 -54.58087 11.47299 1.000 27.00387 ? 209 PHE M HA 1 ATOM 7063 H HB2 . PHE E 1 66 ? -35.98865 -55.59021 13.54023 1.000 29.86336 ? 209 PHE M HB2 1 ATOM 7064 H HB3 . PHE E 1 66 ? -37.00627 -54.40024 13.81193 1.000 29.86336 ? 209 PHE M HB3 1 ATOM 7065 H HD1 . PHE E 1 66 ? -36.99174 -57.80160 12.84493 1.000 32.24336 ? 209 PHE M HD1 1 ATOM 7066 H HD2 . PHE E 1 66 ? -39.16537 -54.89429 14.51279 1.000 31.39530 ? 209 PHE M HD2 1 ATOM 7067 H HE1 . PHE E 1 66 ? -38.66263 -59.32562 13.31803 1.000 34.08745 ? 209 PHE M HE1 1 ATOM 7068 H HE2 . PHE E 1 66 ? -40.84766 -56.41670 14.98601 1.000 31.18997 ? 209 PHE M HE2 1 ATOM 7069 H HZ . PHE E 1 66 ? -40.58208 -58.63127 14.43655 1.000 32.01068 ? 209 PHE M HZ 1 ATOM 7070 N N . SER E 1 67 ? -36.41726 -52.44819 11.35842 1.000 21.65525 ? 210 SER M N 1 ATOM 7071 C CA . SER E 1 67 ? -35.64432 -51.21752 11.28179 1.000 21.25579 ? 210 SER M CA 1 ATOM 7072 C C . SER E 1 67 ? -36.46090 -50.04025 11.80476 1.000 21.09977 ? 210 SER M C 1 ATOM 7073 O O . SER E 1 67 ? -37.69465 -50.05537 11.80405 1.000 22.46592 ? 210 SER M O 1 ATOM 7074 C CB . SER E 1 67 ? -35.14562 -50.93001 9.85628 1.000 22.82691 ? 210 SER M CB 1 ATOM 7075 O OG . SER E 1 67 ? -36.24032 -50.71441 8.97732 1.000 23.90855 ? 210 SER M OG 1 ATOM 7076 H H . SER E 1 67 ? -37.25272 -52.35089 11.17914 1.000 25.98307 ? 210 SER M H 1 ATOM 7077 H HA . SER E 1 67 ? -34.86809 -51.30784 11.85644 1.000 25.50372 ? 210 SER M HA 1 ATOM 7078 H HB2 . SER E 1 67 ? -34.58910 -50.13566 9.86969 1.000 27.38906 ? 210 SER M HB2 1 ATOM 7079 H HB3 . SER E 1 67 ? -34.63158 -51.68994 9.54135 1.000 27.38906 ? 210 SER M HB3 1 ATOM 7080 H HG . SER E 1 67 ? -36.58238 -49.96133 9.12381 1.000 28.68703 ? 210 SER M HG 1 ATOM 7081 N N . GLY E 1 68 ? -35.76038 -49.01305 12.26101 1.000 21.46112 ? 211 GLY M N 1 ATOM 7082 C CA . GLY E 1 68 ? -36.39763 -47.81071 12.76444 1.000 21.51579 ? 211 GLY M CA 1 ATOM 7083 C C . GLY E 1 68 ? -35.90985 -46.60223 11.99362 1.000 21.17114 ? 211 GLY M C 1 ATOM 7084 O O . GLY E 1 68 ? -34.76305 -46.55047 11.54478 1.000 22.07331 ? 211 GLY M O 1 ATOM 7085 H H . GLY E 1 68 ? -34.90117 -48.98940 12.28922 1.000 25.75011 ? 211 GLY M H 1 ATOM 7086 H HA2 . GLY E 1 68 ? -37.36000 -47.88048 12.66501 1.000 25.81571 ? 211 GLY M HA2 1 ATOM 7087 H HA3 . GLY E 1 68 ? -36.18491 -47.69246 13.70341 1.000 25.81571 ? 211 GLY M HA3 1 ATOM 7088 N N . SER E 1 69 ? -36.78491 -45.61805 11.86525 1.000 20.98557 ? 212 SER M N 1 ATOM 7089 C CA . SER E 1 69 ? -36.43307 -44.38819 11.18719 1.000 22.47276 ? 212 SER M CA 1 ATOM 7090 C C . SER E 1 69 ? -37.22140 -43.24033 11.79390 1.000 22.14798 ? 212 SER M C 1 ATOM 7091 O O . SER E 1 69 ? -38.17684 -43.43838 12.55120 1.000 21.67053 ? 212 SER M O 1 ATOM 7092 C CB . SER E 1 69 ? -36.72921 -44.48112 9.68018 1.000 24.68971 ? 212 SER M CB 1 ATOM 7093 O OG . SER E 1 69 ? -38.12577 -44.69445 9.46382 1.000 26.12203 ? 212 SER M OG 1 ATOM 7094 H H . SER E 1 69 ? -37.59101 -45.64059 12.16407 1.000 25.17946 ? 212 SER M H 1 ATOM 7095 H HA . SER E 1 69 ? -35.48683 -44.22068 11.31935 1.000 26.96408 ? 212 SER M HA 1 ATOM 7096 H HB2 . SER E 1 69 ? -36.46371 -43.65226 9.25191 1.000 29.62442 ? 212 SER M HB2 1 ATOM 7097 H HB3 . SER E 1 69 ? -36.23163 -45.22354 9.30320 1.000 29.62442 ? 212 SER M HB3 1 ATOM 7098 H HG . SER E 1 69 ? -38.33029 -45.48402 9.66466 1.000 31.34321 ? 212 SER M HG 1 ATOM 7099 N N . ILE E 1 70 ? -36.81745 -42.02940 11.42380 1.000 25.00371 ? 213 ILE M N 1 ATOM 7100 C CA . ILE E 1 70 ? -37.44408 -40.79753 11.87850 1.000 24.52227 ? 213 ILE M CA 1 ATOM 7101 C C . ILE E 1 70 ? -37.72928 -39.94349 10.65423 1.000 26.03201 ? 213 ILE M C 1 ATOM 7102 O O . ILE E 1 70 ? -36.87395 -39.81332 9.77070 1.000 27.06995 ? 213 ILE M O 1 ATOM 7103 C CB . ILE E 1 70 ? -36.52762 -40.02537 12.84262 1.000 25.96520 ? 213 ILE M CB 1 ATOM 7104 C CG1 . ILE E 1 70 ? -36.17481 -40.91463 14.03508 1.000 27.03832 ? 213 ILE M CG1 1 ATOM 7105 C CG2 . ILE E 1 70 ? -37.18781 -38.73724 13.24851 1.000 26.76011 ? 213 ILE M CG2 1 ATOM 7106 C CD1 . ILE E 1 70 ? -37.30234 -41.13687 14.97288 1.000 25.58766 ? 213 ILE M CD1 1 ATOM 7107 H H . ILE E 1 70 ? -36.15732 -41.89304 10.88973 1.000 30.00122 ? 213 ILE M H 1 ATOM 7108 H HA . ILE E 1 70 ? -38.27828 -41.00249 12.32907 1.000 29.42349 ? 213 ILE M HA 1 ATOM 7109 H HB . ILE E 1 70 ? -35.69526 -39.79267 12.40225 1.000 31.15500 ? 213 ILE M HB 1 ATOM 7110 H HG12 . ILE E 1 70 ? -35.89056 -41.78098 13.70413 1.000 32.44275 ? 213 ILE M HG12 1 ATOM 7111 H HG13 . ILE E 1 70 ? -35.45452 -40.49693 14.53268 1.000 32.44275 ? 213 ILE M HG13 1 ATOM 7112 H HG21 . ILE E 1 70 ? -36.78107 -38.41895 14.06959 1.000 32.10890 ? 213 ILE M HG21 1 ATOM 7113 H HG22 . ILE E 1 70 ? -37.06434 -38.08310 12.54300 1.000 32.10890 ? 213 ILE M HG22 1 ATOM 7114 H HG23 . ILE E 1 70 ? -38.13408 -38.89786 13.38876 1.000 32.10890 ? 213 ILE M HG23 1 ATOM 7115 H HD11 . ILE E 1 70 ? -36.98530 -41.65136 15.73162 1.000 30.70196 ? 213 ILE M HD11 1 ATOM 7116 H HD12 . ILE E 1 70 ? -37.63769 -40.27753 15.27282 1.000 30.70196 ? 213 ILE M HD12 1 ATOM 7117 H HD13 . ILE E 1 70 ? -38.00418 -41.62368 14.51317 1.000 30.70196 ? 213 ILE M HD13 1 ATOM 7118 N N . ASP E 1 71 ? -38.92033 -39.35804 10.59710 1.000 25.61820 ? 214 ASP M N 1 ATOM 7119 C CA . ASP E 1 71 ? -39.29983 -38.47495 9.49051 1.000 28.44606 ? 214 ASP M CA 1 ATOM 7120 C C . ASP E 1 71 ? -39.60365 -37.11660 10.11422 1.000 27.68100 ? 214 ASP M C 1 ATOM 7121 O O . ASP E 1 71 ? -40.68475 -36.91043 10.67701 1.000 26.21983 ? 214 ASP M O 1 ATOM 7122 C CB . ASP E 1 71 ? -40.50825 -39.03906 8.74548 1.000 32.01729 ? 214 ASP M CB 1 ATOM 7123 C CG . ASP E 1 71 ? -41.02191 -38.10873 7.64445 1.000 36.09516 ? 214 ASP M CG 1 ATOM 7124 O OD1 . ASP E 1 71 ? -40.49738 -36.99267 7.48122 1.000 37.37390 ? 214 ASP M OD1 1 ATOM 7125 O OD2 . ASP E 1 71 ? -41.97437 -38.50033 6.94884 1.000 39.60211 -1 214 ASP M OD2 1 ATOM 7126 H H . ASP E 1 71 ? -39.53373 -39.45600 11.19187 1.000 30.73861 ? 214 ASP M H 1 ATOM 7127 H HA . ASP E 1 71 ? -38.57253 -38.38110 8.85559 1.000 34.13205 ? 214 ASP M HA 1 ATOM 7128 H HB2 . ASP E 1 71 ? -40.25899 -39.88082 8.33292 1.000 38.41752 ? 214 ASP M HB2 1 ATOM 7129 H HB3 . ASP E 1 71 ? -41.23013 -39.18042 9.37779 1.000 38.41752 ? 214 ASP M HB3 1 ATOM 7130 N N . SER E 1 72 ? -38.65390 -36.18453 10.02598 1.000 28.61279 ? 215 SER M N 1 ATOM 7131 C CA . SER E 1 72 ? -38.88806 -34.87335 10.62361 1.000 36.18817 ? 215 SER M CA 1 ATOM 7132 C C . SER E 1 72 ? -40.05562 -34.15606 9.95799 1.000 32.85533 ? 215 SER M C 1 ATOM 7133 O O . SER E 1 72 ? -40.81419 -33.44834 10.63043 1.000 30.11404 ? 215 SER M O 1 ATOM 7134 C CB . SER E 1 72 ? -37.61845 -34.01875 10.58336 1.000 47.97942 ? 215 SER M CB 1 ATOM 7135 O OG . SER E 1 72 ? -36.88304 -34.21631 9.38865 1.000 58.57024 ? 215 SER M OG 1 ATOM 7136 H H . SER E 1 72 ? -37.89223 -36.28313 9.63902 1.000 34.33212 ? 215 SER M H 1 ATOM 7137 H HA . SER E 1 72 ? -39.11453 -35.00247 11.55793 1.000 43.42258 ? 215 SER M HA 1 ATOM 7138 H HB2 . SER E 1 72 ? -37.87068 -33.08398 10.64241 1.000 57.57208 ? 215 SER M HB2 1 ATOM 7139 H HB3 . SER E 1 72 ? -37.05754 -34.25929 11.33730 1.000 57.57208 ? 215 SER M HB3 1 ATOM 7140 H HG . SER E 1 72 ? -36.12648 -33.85728 9.45430 1.000 70.28106 ? 215 SER M HG 1 ATOM 7141 N N . SER E 1 73 ? -40.22597 -34.32272 8.64249 1.000 32.14894 ? 216 SER M N 1 ATOM 7142 C CA . SER E 1 73 ? -41.26214 -33.54186 7.98046 1.000 32.93119 ? 216 SER M CA 1 ATOM 7143 C C . SER E 1 73 ? -42.65605 -33.91101 8.47657 1.000 31.61621 ? 216 SER M C 1 ATOM 7144 O O . SER E 1 73 ? -43.55112 -33.06136 8.47081 1.000 33.89305 ? 216 SER M O 1 ATOM 7145 C CB . SER E 1 73 ? -41.18377 -33.69817 6.45905 1.000 34.74656 ? 216 SER M CB 1 ATOM 7146 O OG . SER E 1 73 ? -41.59957 -34.98960 6.07048 1.000 36.51431 ? 216 SER M OG 1 ATOM 7147 H H . SER E 1 73 ? -39.77565 -34.85542 8.13945 1.000 38.57550 ? 216 SER M H 1 ATOM 7148 H HA . SER E 1 73 ? -41.10469 -32.60677 8.18467 1.000 39.51420 ? 216 SER M HA 1 ATOM 7149 H HB2 . SER E 1 73 ? -41.76263 -33.04045 6.04285 1.000 41.69264 ? 216 SER M HB2 1 ATOM 7150 H HB3 . SER E 1 73 ? -40.26694 -33.56129 6.17340 1.000 41.69264 ? 216 SER M HB3 1 ATOM 7151 H HG . SER E 1 73 ? -41.15859 -35.57081 6.48681 1.000 43.81394 ? 216 SER M HG 1 ATOM 7152 N N . SER E 1 74 ? -42.87437 -35.15298 8.90603 1.000 29.78740 ? 217 SER M N 1 ATOM 7153 C CA . SER E 1 74 ? -44.17293 -35.53643 9.45308 1.000 28.80382 ? 217 SER M CA 1 ATOM 7154 C C . SER E 1 74 ? -44.16257 -35.63166 10.96851 1.000 27.15040 ? 217 SER M C 1 ATOM 7155 O O . SER E 1 74 ? -45.15997 -36.06418 11.55756 1.000 28.93737 ? 217 SER M O 1 ATOM 7156 C CB . SER E 1 74 ? -44.65301 -36.85672 8.86354 1.000 29.42295 ? 217 SER M CB 1 ATOM 7157 O OG . SER E 1 74 ? -43.77420 -37.89979 9.18022 1.000 30.60988 ? 217 SER M OG 1 ATOM 7158 H H . SER E 1 74 ? -42.29075 -35.78444 8.89054 1.000 35.74165 ? 217 SER M H 1 ATOM 7159 H HA . SER E 1 74 ? -44.81151 -34.85422 9.19286 1.000 34.56135 ? 217 SER M HA 1 ATOM 7160 H HB2 . SER E 1 74 ? -45.52918 -37.06272 9.22520 1.000 35.30431 ? 217 SER M HB2 1 ATOM 7161 H HB3 . SER E 1 74 ? -44.70425 -36.77040 7.89875 1.000 35.30431 ? 217 SER M HB3 1 ATOM 7162 H HG . SER E 1 74 ? -43.98500 -38.59239 8.75424 1.000 36.72862 ? 217 SER M HG 1 ATOM 7163 N N . ASN E 1 75 ? -43.05155 -35.26091 11.60292 1.000 25.88711 ? 218 ASN M N 1 ATOM 7164 C CA . ASN E 1 75 ? -42.88879 -35.33889 13.05708 1.000 25.38285 ? 218 ASN M CA 1 ATOM 7165 C C . ASN E 1 75 ? -43.16121 -36.73479 13.60580 1.000 24.25105 ? 218 ASN M C 1 ATOM 7166 O O . ASN E 1 75 ? -43.81387 -36.89842 14.65187 1.000 24.33719 ? 218 ASN M O 1 ATOM 7167 C CB . ASN E 1 75 ? -43.74962 -34.31409 13.78529 1.000 25.61678 ? 218 ASN M CB 1 ATOM 7168 C CG . ASN E 1 75 ? -43.05513 -33.78255 15.00495 1.000 26.26582 ? 218 ASN M CG 1 ATOM 7169 O OD1 . ASN E 1 75 ? -41.85575 -33.48909 14.94323 1.000 26.25723 ? 218 ASN M OD1 1 ATOM 7170 N ND2 . ASN E 1 75 ? -43.76603 -33.69492 16.11915 1.000 27.50216 ? 218 ASN M ND2 1 ATOM 7171 H H . ASN E 1 75 ? -42.35608 -34.95136 11.20279 1.000 31.06130 ? 218 ASN M H 1 ATOM 7172 H HA . ASN E 1 75 ? -41.95727 -35.13717 13.23733 1.000 30.45619 ? 218 ASN M HA 1 ATOM 7173 H HB2 . ASN E 1 75 ? -43.93554 -33.57036 13.19099 1.000 30.73690 ? 218 ASN M HB2 1 ATOM 7174 H HB3 . ASN E 1 75 ? -44.57964 -34.73167 14.06387 1.000 30.73690 ? 218 ASN M HB3 1 ATOM 7175 H HD21 . ASN E 1 75 ? -43.40264 -33.39506 16.83861 1.000 32.99937 ? 218 ASN M HD21 1 ATOM 7176 H HD22 . ASN E 1 75 ? -44.59099 -33.93789 16.12309 1.000 32.99937 ? 218 ASN M HD22 1 ATOM 7177 N N . SER E 1 76 ? -42.64767 -37.75022 12.91622 1.000 23.57690 ? 219 SER M N 1 ATOM 7178 C CA . SER E 1 76 ? -42.99620 -39.11657 13.25659 1.000 23.81740 ? 219 SER M CA 1 ATOM 7179 C C . SER E 1 76 ? -41.76822 -40.00336 13.29353 1.000 23.31326 ? 219 SER M C 1 ATOM 7180 O O . SER E 1 76 ? -40.73768 -39.70727 12.69020 1.000 24.02046 ? 219 SER M O 1 ATOM 7181 C CB . SER E 1 76 ? -44.00099 -39.70427 12.27055 1.000 24.33713 ? 219 SER M CB 1 ATOM 7182 O OG . SER E 1 76 ? -43.42225 -39.86416 10.98397 1.000 26.04574 ? 219 SER M OG 1 ATOM 7183 H H . SER E 1 76 ? -42.10247 -37.66880 12.25612 1.000 28.28905 ? 219 SER M H 1 ATOM 7184 H HA . SER E 1 76 ? -43.38316 -39.10981 14.14604 1.000 28.57765 ? 219 SER M HA 1 ATOM 7185 H HB2 . SER E 1 76 ? -44.29021 -40.57131 12.59535 1.000 29.20133 ? 219 SER M HB2 1 ATOM 7186 H HB3 . SER E 1 76 ? -44.76098 -39.10549 12.20142 1.000 29.20133 ? 219 SER M HB3 1 ATOM 7187 H HG . SER E 1 76 ? -42.95541 -39.19233 10.79343 1.000 31.25166 ? 219 SER M HG 1 ATOM 7188 N N . ALA E 1 77 ? -41.92086 -41.11418 14.00203 1.000 22.45742 ? 220 ALA M N 1 ATOM 7189 C CA . ALA E 1 77 ? -40.97378 -42.21023 14.01728 1.000 21.51653 ? 220 ALA M CA 1 ATOM 7190 C C . ALA E 1 77 ? -41.68387 -43.42349 13.43898 1.000 20.28497 ? 220 ALA M C 1 ATOM 7191 O O . ALA E 1 77 ? -42.90436 -43.55844 13.56593 1.000 20.95756 ? 220 ALA M O 1 ATOM 7192 C CB . ALA E 1 77 ? -40.57675 -42.54120 15.46316 1.000 21.59404 ? 220 ALA M CB 1 ATOM 7193 H H . ALA E 1 77 ? -42.60168 -41.26019 14.50679 1.000 26.94567 ? 220 ALA M H 1 ATOM 7194 H HA . ALA E 1 77 ? -40.17810 -41.99742 13.50493 1.000 25.81660 ? 220 ALA M HA 1 ATOM 7195 H HB1 . ALA E 1 77 ? -39.92516 -43.25971 15.45514 1.000 25.90962 ? 220 ALA M HB1 1 ATOM 7196 H HB2 . ALA E 1 77 ? -40.19263 -41.75089 15.87396 1.000 25.90962 ? 220 ALA M HB2 1 ATOM 7197 H HB3 . ALA E 1 77 ? -41.36750 -42.81720 15.95249 1.000 25.90962 ? 220 ALA M HB3 1 ATOM 7198 N N . SER E 1 78 ? -40.92957 -44.31690 12.81099 1.000 20.74308 ? 221 SER M N 1 ATOM 7199 C CA . SER E 1 78 ? -41.52901 -45.49937 12.20964 1.000 20.38118 ? 221 SER M CA 1 ATOM 7200 C C . SER E 1 78 ? -40.71115 -46.75255 12.48165 1.000 19.63941 ? 221 SER M C 1 ATOM 7201 O O . SER E 1 78 ? -39.47982 -46.74229 12.40926 1.000 21.28889 ? 221 SER M O 1 ATOM 7202 C CB . SER E 1 78 ? -41.67670 -45.37028 10.68572 1.000 21.29683 ? 221 SER M CB 1 ATOM 7203 O OG . SER E 1 78 ? -42.59867 -44.35852 10.31916 1.000 22.49880 ? 221 SER M OG 1 ATOM 7204 H H . SER E 1 78 ? -40.07615 -44.26032 12.72113 1.000 24.88846 ? 221 SER M H 1 ATOM 7205 H HA . SER E 1 78 ? -42.39986 -45.60259 12.62421 1.000 24.45419 ? 221 SER M HA 1 ATOM 7206 H HB2 . SER E 1 78 ? -40.81045 -45.15205 10.30770 1.000 25.55297 ? 221 SER M HB2 1 ATOM 7207 H HB3 . SER E 1 78 ? -41.98924 -46.21755 10.33167 1.000 25.55297 ? 221 SER M HB3 1 ATOM 7208 H HG . SER E 1 78 ? -43.34192 -44.50143 10.68351 1.000 26.99533 ? 221 SER M HG 1 ATOM 7209 N N . LEU E 1 79 ? -41.42649 -47.83958 12.73175 1.000 19.98313 ? 222 LEU M N 1 ATOM 7210 C CA . LEU E 1 79 ? -40.89105 -49.18822 12.79141 1.000 20.01135 ? 222 LEU M CA 1 ATOM 7211 C C . LEU E 1 79 ? -41.30805 -49.89037 11.50455 1.000 20.48742 ? 222 LEU M C 1 ATOM 7212 O O . LEU E 1 79 ? -42.49952 -49.94385 11.18348 1.000 21.23464 ? 222 LEU M O 1 ATOM 7213 C CB . LEU E 1 79 ? -41.44748 -49.92036 14.01298 1.000 19.96932 ? 222 LEU M CB 1 ATOM 7214 C CG . LEU E 1 79 ? -41.01507 -51.38964 14.15006 1.000 20.68273 ? 222 LEU M CG 1 ATOM 7215 C CD1 . LEU E 1 79 ? -39.53481 -51.46562 14.47823 1.000 21.30272 ? 222 LEU M CD1 1 ATOM 7216 C CD2 . LEU E 1 79 ? -41.84190 -52.05761 15.23774 1.000 23.15589 ? 222 LEU M CD2 1 ATOM 7217 H H . LEU E 1 79 ? -42.27361 -47.81850 12.87855 1.000 23.97652 ? 222 LEU M H 1 ATOM 7218 H HA . LEU E 1 79 ? -39.92315 -49.18140 12.85490 1.000 24.01039 ? 222 LEU M HA 1 ATOM 7219 H HB2 . LEU E 1 79 ? -41.14989 -49.45443 14.81001 1.000 23.95995 ? 222 LEU M HB2 1 ATOM 7220 H HB3 . LEU E 1 79 ? -42.41606 -49.90614 13.96255 1.000 23.95995 ? 222 LEU M HB3 1 ATOM 7221 H HG . LEU E 1 79 ? -41.16122 -51.86181 13.31544 1.000 24.81604 ? 222 LEU M HG 1 ATOM 7222 H HD11 . LEU E 1 79 ? -39.27425 -52.39736 14.54811 1.000 25.56003 ? 222 LEU M HD11 1 ATOM 7223 H HD12 . LEU E 1 79 ? -39.03179 -51.03369 13.77020 1.000 25.56003 ? 222 LEU M HD12 1 ATOM 7224 H HD13 . LEU E 1 79 ? -39.37459 -51.01324 15.32119 1.000 25.56003 ? 222 LEU M HD13 1 ATOM 7225 H HD21 . LEU E 1 79 ? -41.60482 -52.99712 15.28255 1.000 27.78384 ? 222 LEU M HD21 1 ATOM 7226 H HD22 . LEU E 1 79 ? -41.65313 -51.62796 16.08666 1.000 27.78384 ? 222 LEU M HD22 1 ATOM 7227 H HD23 . LEU E 1 79 ? -42.78285 -51.96385 15.02158 1.000 27.78384 ? 222 LEU M HD23 1 ATOM 7228 N N . THR E 1 80 ? -40.33530 -50.40365 10.77760 1.000 20.64606 ? 223 THR M N 1 ATOM 7229 C CA . THR E 1 80 ? -40.57285 -51.10191 9.52292 1.000 20.74098 ? 223 THR M CA 1 ATOM 7230 C C . THR E 1 80 ? -40.13001 -52.54518 9.68144 1.000 20.64262 ? 223 THR M C 1 ATOM 7231 O O . THR E 1 80 ? -39.04156 -52.81630 10.20202 1.000 21.42641 ? 223 THR M O 1 ATOM 7232 C CB . THR E 1 80 ? -39.81441 -50.41103 8.38809 1.000 20.82787 ? 223 THR M CB 1 ATOM 7233 O OG1 . THR E 1 80 ? -40.27840 -49.06287 8.28865 1.000 22.44476 ? 223 THR M OG1 1 ATOM 7234 C CG2 . THR E 1 80 ? -40.01238 -51.14002 7.04985 1.000 23.13238 ? 223 THR M CG2 1 ATOM 7235 H H . THR E 1 80 ? -39.50399 -50.36078 10.99368 1.000 24.77204 ? 223 THR M H 1 ATOM 7236 H HA . THR E 1 80 ? -41.51624 -51.10202 9.29727 1.000 24.88595 ? 223 THR M HA 1 ATOM 7237 H HB . THR E 1 80 ? -38.86241 -50.42224 8.57376 1.000 24.99022 ? 223 THR M HB 1 ATOM 7238 H HG1 . THR E 1 80 ? -39.76499 -48.61805 7.79454 1.000 26.93049 ? 223 THR M HG1 1 ATOM 7239 H HG21 . THR E 1 80 ? -39.81496 -50.54066 6.31318 1.000 27.75562 ? 223 THR M HG21 1 ATOM 7240 H HG22 . THR E 1 80 ? -39.42053 -51.90686 6.99905 1.000 27.75562 ? 223 THR M HG22 1 ATOM 7241 H HG23 . THR E 1 80 ? -40.92987 -51.44471 6.97058 1.000 27.75562 ? 223 THR M HG23 1 ATOM 7242 N N . ILE E 1 81 ? -40.98953 -53.46820 9.27048 1.000 20.83355 ? 224 ILE M N 1 ATOM 7243 C CA . ILE E 1 81 ? -40.69258 -54.89835 9.30339 1.000 22.16105 ? 224 ILE M CA 1 ATOM 7244 C C . ILE E 1 81 ? -40.79706 -55.41181 7.87621 1.000 24.17702 ? 224 ILE M C 1 ATOM 7245 O O . ILE E 1 81 ? -41.88455 -55.38566 7.28312 1.000 24.43872 ? 224 ILE M O 1 ATOM 7246 C CB . ILE E 1 81 ? -41.65905 -55.65866 10.21818 1.000 24.81011 ? 224 ILE M CB 1 ATOM 7247 C CG1 . ILE E 1 81 ? -41.64716 -55.07268 11.62723 1.000 26.06810 ? 224 ILE M CG1 1 ATOM 7248 C CG2 . ILE E 1 81 ? -41.26816 -57.13918 10.27352 1.000 26.16164 ? 224 ILE M CG2 1 ATOM 7249 C CD1 . ILE E 1 81 ? -42.78253 -55.57863 12.52066 1.000 27.20658 ? 224 ILE M CD1 1 ATOM 7250 H H . ILE E 1 81 ? -41.77115 -53.28794 8.96036 1.000 24.99703 ? 224 ILE M H 1 ATOM 7251 H HA . ILE E 1 81 ? -39.78609 -55.03335 9.62111 1.000 26.59003 ? 224 ILE M HA 1 ATOM 7252 H HB . ILE E 1 81 ? -42.55341 -55.56989 9.85328 1.000 29.76890 ? 224 ILE M HB 1 ATOM 7253 H HG12 . ILE E 1 81 ? -40.80850 -55.30710 12.05454 1.000 31.27849 ? 224 ILE M HG12 1 ATOM 7254 H HG13 . ILE E 1 81 ? -41.72895 -54.10823 11.56375 1.000 31.27849 ? 224 ILE M HG13 1 ATOM 7255 H HG21 . ILE E 1 81 ? -41.81867 -57.58664 10.93506 1.000 31.39074 ? 224 ILE M HG21 1 ATOM 7256 H HG22 . ILE E 1 81 ? -41.41164 -57.53654 9.40036 1.000 31.39074 ? 224 ILE M HG22 1 ATOM 7257 H HG23 . ILE E 1 81 ? -40.33250 -57.20980 10.51938 1.000 31.39074 ? 224 ILE M HG23 1 ATOM 7258 H HD11 . ILE E 1 81 ? -42.77883 -55.07669 13.35069 1.000 32.64467 ? 224 ILE M HD11 1 ATOM 7259 H HD12 . ILE E 1 81 ? -43.62701 -55.45114 12.06077 1.000 32.64467 ? 224 ILE M HD12 1 ATOM 7260 H HD13 . ILE E 1 81 ? -42.64443 -56.52118 12.70348 1.000 32.64467 ? 224 ILE M HD13 1 ATOM 7261 N N . SER E 1 82 ? -39.67965 -55.85612 7.31620 1.000 25.02213 ? 225 SER M N 1 ATOM 7262 C CA . SER E 1 82 ? -39.70889 -56.47687 6.00214 1.000 25.56762 ? 225 SER M CA 1 ATOM 7263 C C . SER E 1 82 ? -39.91144 -57.98419 6.13118 1.000 26.32850 ? 225 SER M C 1 ATOM 7264 O O . SER E 1 82 ? -39.74173 -58.57219 7.19568 1.000 25.82944 ? 225 SER M O 1 ATOM 7265 C CB . SER E 1 82 ? -38.40781 -56.19551 5.25279 1.000 26.02487 ? 225 SER M CB 1 ATOM 7266 O OG . SER E 1 82 ? -37.32415 -56.87150 5.84279 1.000 27.92594 ? 225 SER M OG 1 ATOM 7267 H H . SER E 1 82 ? -38.89950 -55.80945 7.67507 1.000 30.02333 ? 225 SER M H 1 ATOM 7268 H HA . SER E 1 82 ? -40.44649 -56.10441 5.49409 1.000 30.67791 ? 225 SER M HA 1 ATOM 7269 H HB2 . SER E 1 82 ? -38.50273 -56.49465 4.33497 1.000 31.22662 ? 225 SER M HB2 1 ATOM 7270 H HB3 . SER E 1 82 ? -38.23262 -55.24170 5.27441 1.000 31.22662 ? 225 SER M HB3 1 ATOM 7271 H HG . SER E 1 82 ? -37.40564 -57.69970 5.72863 1.000 33.50790 ? 225 SER M HG 1 ATOM 7272 N N . GLY E 1 83 ? -40.25067 -58.61806 5.01512 1.000 26.28813 ? 226 GLY M N 1 ATOM 7273 C CA . GLY E 1 83 ? -40.35476 -60.06996 5.01790 1.000 26.25801 ? 226 GLY M CA 1 ATOM 7274 C C . GLY E 1 83 ? -41.27026 -60.57486 6.09657 1.000 27.23672 ? 226 GLY M C 1 ATOM 7275 O O . GLY E 1 83 ? -40.96324 -61.56153 6.78913 1.000 28.59965 ? 226 GLY M O 1 ATOM 7276 H H . GLY E 1 83 ? -40.42163 -58.24090 4.26138 1.000 31.54252 ? 226 GLY M H 1 ATOM 7277 H HA2 . GLY E 1 83 ? -40.69726 -60.36880 4.16099 1.000 31.50638 ? 226 GLY M HA2 1 ATOM 7278 H HA3 . GLY E 1 83 ? -39.47532 -60.45450 5.15797 1.000 31.50638 ? 226 GLY M HA3 1 ATOM 7279 N N . LEU E 1 84 ? -42.41096 -59.91356 6.26654 1.000 26.09626 ? 227 LEU M N 1 ATOM 7280 C CA . LEU E 1 84 ? -43.29404 -60.15394 7.39362 1.000 26.02718 ? 227 LEU M CA 1 ATOM 7281 C C . LEU E 1 84 ? -43.64276 -61.63194 7.51665 1.000 26.96261 ? 227 LEU M C 1 ATOM 7282 O O . LEU E 1 84 ? -43.94721 -62.30258 6.52346 1.000 26.92907 ? 227 LEU M O 1 ATOM 7283 C CB . LEU E 1 84 ? -44.57300 -59.33654 7.19912 1.000 24.46141 ? 227 LEU M CB 1 ATOM 7284 C CG . LEU E 1 84 ? -45.61924 -59.38606 8.29689 1.000 24.50626 ? 227 LEU M CG 1 ATOM 7285 C CD1 . LEU E 1 84 ? -45.09978 -58.81572 9.60844 1.000 25.06813 ? 227 LEU M CD1 1 ATOM 7286 C CD2 . LEU E 1 84 ? -46.85184 -58.63370 7.80362 1.000 23.90224 ? 227 LEU M CD2 1 ATOM 7287 H H . LEU E 1 84 ? -42.70027 -59.30739 5.72947 1.000 31.31228 ? 227 LEU M H 1 ATOM 7288 H HA . LEU E 1 84 ? -42.85369 -59.88205 8.21403 1.000 31.22939 ? 227 LEU M HA 1 ATOM 7289 H HB2 . LEU E 1 84 ? -44.31653 -58.40637 7.09956 1.000 29.35046 ? 227 LEU M HB2 1 ATOM 7290 H HB3 . LEU E 1 84 ? -45.00357 -59.65054 6.38862 1.000 29.35046 ? 227 LEU M HB3 1 ATOM 7291 H HG . LEU E 1 84 ? -45.85445 -60.30641 8.49321 1.000 29.40429 ? 227 LEU M HG 1 ATOM 7292 H HD11 . LEU E 1 84 ? -45.83936 -58.72908 10.23007 1.000 30.07853 ? 227 LEU M HD11 1 ATOM 7293 H HD12 . LEU E 1 84 ? -44.43116 -59.41734 9.97163 1.000 30.07853 ? 227 LEU M HD12 1 ATOM 7294 H HD13 . LEU E 1 84 ? -44.70538 -57.94562 9.44025 1.000 30.07853 ? 227 LEU M HD13 1 ATOM 7295 H HD21 . LEU E 1 84 ? -47.50262 -58.58868 8.52151 1.000 28.67946 ? 227 LEU M HD21 1 ATOM 7296 H HD22 . LEU E 1 84 ? -46.58995 -57.73831 7.53794 1.000 28.67946 ? 227 LEU M HD22 1 ATOM 7297 H HD23 . LEU E 1 84 ? -47.22820 -59.10701 7.04518 1.000 28.67946 ? 227 LEU M HD23 1 ATOM 7298 N N . LYS E 1 85 ? -43.59550 -62.12713 8.75193 1.000 27.49561 ? 228 LYS M N 1 ATOM 7299 C CA . LYS E 1 85 ? -43.85666 -63.51888 9.06961 1.000 32.22549 ? 228 LYS M CA 1 ATOM 7300 C C . LYS E 1 85 ? -44.86844 -63.59137 10.20680 1.000 28.64152 ? 228 LYS M C 1 ATOM 7301 O O . LYS E 1 85 ? -44.99074 -62.66680 11.01865 1.000 26.96037 ? 228 LYS M O 1 ATOM 7302 C CB . LYS E 1 85 ? -42.55300 -64.21399 9.48980 1.000 40.02114 ? 228 LYS M CB 1 ATOM 7303 C CG . LYS E 1 85 ? -41.35308 -63.77829 8.65384 1.000 49.56832 ? 228 LYS M CG 1 ATOM 7304 C CD . LYS E 1 85 ? -40.23827 -64.81749 8.64239 1.000 50.79546 ? 228 LYS M CD 1 ATOM 7305 C CE . LYS E 1 85 ? -39.78271 -65.18118 10.04911 1.000 51.65056 ? 228 LYS M CE 1 ATOM 7306 N NZ . LYS E 1 85 ? -38.50198 -65.95117 10.00861 1.000 51.42131 ? 228 LYS M NZ 1 ATOM 7307 H H . LYS E 1 85 ? -43.40676 -61.65463 9.44526 1.000 32.99150 ? 228 LYS M H 1 ATOM 7308 H HA . LYS E 1 85 ? -44.23164 -63.98187 8.30415 1.000 38.66736 ? 228 LYS M HA 1 ATOM 7309 H HB2 . LYS E 1 85 ? -42.36619 -63.99972 10.41721 1.000 48.02213 ? 228 LYS M HB2 1 ATOM 7310 H HB3 . LYS E 1 85 ? -42.65903 -65.17253 9.38562 1.000 48.02213 ? 228 LYS M HB3 1 ATOM 7311 H HG2 . LYS E 1 85 ? -41.63967 -63.63550 7.73821 1.000 59.47876 ? 228 LYS M HG2 1 ATOM 7312 H HG3 . LYS E 1 85 ? -40.99290 -62.95580 9.02082 1.000 59.47876 ? 228 LYS M HG3 1 ATOM 7313 H HD2 . LYS E 1 85 ? -40.55838 -65.62449 8.20975 1.000 60.95132 ? 228 LYS M HD2 1 ATOM 7314 H HD3 . LYS E 1 85 ? -39.47560 -64.46239 8.15954 1.000 60.95132 ? 228 LYS M HD3 1 ATOM 7315 H HE2 . LYS E 1 85 ? -39.63908 -64.37097 10.56276 1.000 61.97744 ? 228 LYS M HE2 1 ATOM 7316 H HE3 . LYS E 1 85 ? -40.45871 -65.72974 10.47690 1.000 61.97744 ? 228 LYS M HE3 1 ATOM 7317 H HZ1 . LYS E 1 85 ? -38.25481 -66.17444 10.83394 1.000 61.70234 ? 228 LYS M HZ1 1 ATOM 7318 H HZ2 . LYS E 1 85 ? -38.60778 -66.69286 9.52819 1.000 61.70234 ? 228 LYS M HZ2 1 ATOM 7319 H HZ3 . LYS E 1 85 ? -37.86101 -65.45658 9.63898 1.000 61.70234 ? 228 LYS M HZ3 1 ATOM 7320 N N . THR E 1 86 ? -45.62132 -64.69291 10.23985 1.000 28.38351 ? 229 THR M N 1 ATOM 7321 C CA . THR E 1 86 ? -46.59899 -64.87030 11.30585 1.000 28.65461 ? 229 THR M CA 1 ATOM 7322 C C . THR E 1 86 ? -45.97033 -64.68190 12.67561 1.000 28.45683 ? 229 THR M C 1 ATOM 7323 O O . THR E 1 86 ? -46.62342 -64.18278 13.59304 1.000 27.61580 ? 229 THR M O 1 ATOM 7324 C CB . THR E 1 86 ? -47.29999 -66.23199 11.18292 1.000 31.06484 ? 229 THR M CB 1 ATOM 7325 O OG1 . THR E 1 86 ? -48.22694 -66.16585 10.09078 1.000 34.26368 ? 229 THR M OG1 1 ATOM 7326 C CG2 . THR E 1 86 ? -48.04630 -66.57264 12.46836 1.000 32.77589 ? 229 THR M CG2 1 ATOM 7327 H H . THR E 1 86 ? -45.58459 -65.33561 9.66959 1.000 34.05698 ? 229 THR M H 1 ATOM 7328 H HA . THR E 1 86 ? -47.29220 -64.19833 11.21194 1.000 34.38230 ? 229 THR M HA 1 ATOM 7329 H HB . THR E 1 86 ? -46.64785 -66.93277 11.02633 1.000 37.27458 ? 229 THR M HB 1 ATOM 7330 H HG1 . THR E 1 86 ? -48.28575 -66.91630 9.71801 1.000 41.11318 ? 229 THR M HG1 1 ATOM 7331 H HG21 . THR E 1 86 ? -48.68675 -67.28193 12.30212 1.000 39.32783 ? 229 THR M HG21 1 ATOM 7332 H HG22 . THR E 1 86 ? -47.41968 -66.86715 13.14769 1.000 39.32783 ? 229 THR M HG22 1 ATOM 7333 H HG23 . THR E 1 86 ? -48.51959 -65.79116 12.79423 1.000 39.32783 ? 229 THR M HG23 1 ATOM 7334 N N . GLU E 1 87 ? -44.70000 -65.04191 12.83244 1.000 29.33010 ? 230 GLU M N 1 ATOM 7335 C CA . GLU E 1 87 ? -44.06497 -64.86845 14.13410 1.000 34.99200 ? 230 GLU M CA 1 ATOM 7336 C C . GLU E 1 87 ? -43.96902 -63.40519 14.55193 1.000 30.21264 ? 230 GLU M C 1 ATOM 7337 O O . GLU E 1 87 ? -43.78334 -63.13111 15.73943 1.000 29.72309 ? 230 GLU M O 1 ATOM 7338 C CB . GLU E 1 87 ? -42.67897 -65.51664 14.12756 1.000 46.59087 ? 230 GLU M CB 1 ATOM 7339 C CG . GLU E 1 87 ? -42.73227 -66.96624 13.70099 1.000 57.19424 ? 230 GLU M CG 1 ATOM 7340 C CD . GLU E 1 87 ? -42.48876 -67.13728 12.21917 1.000 70.30156 ? 230 GLU M CD 1 ATOM 7341 O OE1 . GLU E 1 87 ? -41.31932 -67.02935 11.81125 1.000 73.88722 ? 230 GLU M OE1 1 ATOM 7342 O OE2 . GLU E 1 87 ? -43.45371 -67.37127 11.46130 1.000 74.60419 -1 230 GLU M OE2 1 ATOM 7343 H H . GLU E 1 87 ? -44.19872 -65.37875 12.22018 1.000 35.19289 ? 230 GLU M H 1 ATOM 7344 H HA . GLU E 1 87 ? -44.60169 -65.32068 14.80368 1.000 41.98718 ? 230 GLU M HA 1 ATOM 7345 H HB2 . GLU E 1 87 ? -42.10688 -65.03863 13.50699 1.000 55.90581 ? 230 GLU M HB2 1 ATOM 7346 H HB3 . GLU E 1 87 ? -42.30476 -65.47706 15.02160 1.000 55.90581 ? 230 GLU M HB3 1 ATOM 7347 H HG2 . GLU E 1 87 ? -42.04977 -67.46337 14.17844 1.000 68.62985 ? 230 GLU M HG2 1 ATOM 7348 H HG3 . GLU E 1 87 ? -43.60940 -67.32595 13.90628 1.000 68.62985 ? 230 GLU M HG3 1 ATOM 7349 N N . ASP E 1 88 ? -44.09359 -62.45687 13.62119 1.000 25.73699 ? 231 ASP M N 1 ATOM 7350 C CA . ASP E 1 88 ? -44.02456 -61.05028 13.99496 1.000 24.15177 ? 231 ASP M CA 1 ATOM 7351 C C . ASP E 1 88 ? -45.32667 -60.54550 14.60287 1.000 23.85170 ? 231 ASP M C 1 ATOM 7352 O O . ASP E 1 88 ? -45.37535 -59.41106 15.09662 1.000 22.55201 ? 231 ASP M O 1 ATOM 7353 C CB . ASP E 1 88 ? -43.66738 -60.19038 12.78467 1.000 24.92484 ? 231 ASP M CB 1 ATOM 7354 C CG . ASP E 1 88 ? -42.37015 -60.61575 12.12773 1.000 25.41794 ? 231 ASP M CG 1 ATOM 7355 O OD1 . ASP E 1 88 ? -41.42173 -61.00936 12.84735 1.000 27.29605 ? 231 ASP M OD1 1 ATOM 7356 O OD2 . ASP E 1 88 ? -42.29779 -60.55444 10.87842 1.000 26.07974 -1 231 ASP M OD2 1 ATOM 7357 H H . ASP E 1 88 ? -44.21644 -62.60319 12.78268 1.000 30.88116 ? 231 ASP M H 1 ATOM 7358 H HA . ASP E 1 88 ? -43.31735 -60.94113 14.64982 1.000 28.97890 ? 231 ASP M HA 1 ATOM 7359 H HB2 . ASP E 1 88 ? -44.37536 -60.26230 12.12551 1.000 29.90658 ? 231 ASP M HB2 1 ATOM 7360 H HB3 . ASP E 1 88 ? -43.57144 -59.26802 13.06919 1.000 29.90658 ? 231 ASP M HB3 1 ATOM 7361 N N . GLU E 1 89 ? -46.38157 -61.34730 14.58799 1.000 24.22187 ? 232 GLU M N 1 ATOM 7362 C CA . GLU E 1 89 ? -47.62719 -60.90998 15.19868 1.000 27.19135 ? 232 GLU M CA 1 ATOM 7363 C C . GLU E 1 89 ? -47.39421 -60.61082 16.66559 1.000 27.58441 ? 232 GLU M C 1 ATOM 7364 O O . GLU E 1 89 ? -46.89483 -61.46573 17.40695 1.000 29.09276 ? 232 GLU M O 1 ATOM 7365 C CB . GLU E 1 89 ? -48.68836 -61.99751 15.07801 1.000 32.28637 ? 232 GLU M CB 1 ATOM 7366 C CG . GLU E 1 89 ? -49.29625 -62.07678 13.72613 1.000 36.35378 ? 232 GLU M CG 1 ATOM 7367 C CD . GLU E 1 89 ? -50.54700 -62.92413 13.72835 1.000 42.15560 ? 232 GLU M CD 1 ATOM 7368 O OE1 . GLU E 1 89 ? -50.61809 -63.87793 14.53503 1.000 41.02510 ? 232 GLU M OE1 1 ATOM 7369 O OE2 . GLU E 1 89 ? -51.45615 -62.62138 12.94585 1.000 38.89673 -1 232 GLU M OE2 1 ATOM 7370 H H . GLU E 1 89 ? -46.40200 -62.13270 14.23823 1.000 29.06302 ? 232 GLU M H 1 ATOM 7371 H HA . GLU E 1 89 ? -47.94113 -60.11431 14.74124 1.000 32.62639 ? 232 GLU M HA 1 ATOM 7372 H HB2 . GLU E 1 89 ? -48.28106 -62.85609 15.27257 1.000 38.74041 ? 232 GLU M HB2 1 ATOM 7373 H HB3 . GLU E 1 89 ? -49.39794 -61.81525 15.71376 1.000 38.74041 ? 232 GLU M HB3 1 ATOM 7374 H HG2 . GLU E 1 89 ? -49.53292 -61.18453 13.42816 1.000 43.62130 ? 232 GLU M HG2 1 ATOM 7375 H HG3 . GLU E 1 89 ? -48.65989 -62.47401 13.11119 1.000 43.62130 ? 232 GLU M HG3 1 ATOM 7376 N N . ALA E 1 90 ? -47.78711 -59.41386 17.08107 1.000 24.68002 ? 233 ALA M N 1 ATOM 7377 C CA . ALA E 1 90 ? -47.58214 -58.95614 18.45108 1.000 23.15086 ? 233 ALA M CA 1 ATOM 7378 C C . ALA E 1 90 ? -48.08226 -57.52696 18.56106 1.000 22.50171 ? 233 ALA M C 1 ATOM 7379 O O . ALA E 1 90 ? -48.52252 -56.94172 17.56590 1.000 22.42942 ? 233 ALA M O 1 ATOM 7380 C CB . ALA E 1 90 ? -46.07960 -58.97385 18.77481 1.000 24.34038 ? 233 ALA M CB 1 ATOM 7381 H H . ALA E 1 90 ? -48.18212 -58.83633 16.58105 1.000 29.61280 ? 233 ALA M H 1 ATOM 7382 H HA . ALA E 1 90 ? -48.05234 -59.52958 19.07637 1.000 27.77780 ? 233 ALA M HA 1 ATOM 7383 H HB1 . ALA E 1 90 ? -45.93382 -58.52496 19.62225 1.000 29.20523 ? 233 ALA M HB1 1 ATOM 7384 H HB2 . ALA E 1 90 ? -45.77977 -59.89455 18.83232 1.000 29.20523 ? 233 ALA M HB2 1 ATOM 7385 H HB3 . ALA E 1 90 ? -45.59911 -58.51294 18.06940 1.000 29.20523 ? 233 ALA M HB3 1 ATOM 7386 N N . ASP E 1 91 ? -48.01461 -56.94921 19.75614 1.000 21.91336 ? 234 ASP M N 1 ATOM 7387 C CA . ASP E 1 91 ? -48.26764 -55.52783 19.91997 1.000 22.30117 ? 234 ASP M CA 1 ATOM 7388 C C . ASP E 1 91 ? -46.93365 -54.79577 19.93329 1.000 21.90798 ? 234 ASP M C 1 ATOM 7389 O O . ASP E 1 91 ? -45.95715 -55.29567 20.48210 1.000 25.44939 ? 234 ASP M O 1 ATOM 7390 C CB . ASP E 1 91 ? -49.01983 -55.27183 21.22240 1.000 24.20421 ? 234 ASP M CB 1 ATOM 7391 C CG . ASP E 1 91 ? -50.42889 -55.87184 21.21283 1.000 26.69883 ? 234 ASP M CG 1 ATOM 7392 O OD1 . ASP E 1 91 ? -50.89581 -56.34824 20.15272 1.000 27.89837 ? 234 ASP M OD1 1 ATOM 7393 O OD2 . ASP E 1 91 ? -51.07099 -55.87467 22.26938 1.000 28.78617 -1 234 ASP M OD2 1 ATOM 7394 H H . ASP E 1 91 ? -47.82367 -57.36189 20.48610 1.000 26.29281 ? 234 ASP M H 1 ATOM 7395 H HA . ASP E 1 91 ? -48.81110 -55.18906 19.19142 1.000 26.75817 ? 234 ASP M HA 1 ATOM 7396 H HB2 . ASP E 1 91 ? -48.52756 -55.67112 21.95666 1.000 29.04182 ? 234 ASP M HB2 1 ATOM 7397 H HB3 . ASP E 1 91 ? -49.10101 -54.31492 21.35891 1.000 29.04182 ? 234 ASP M HB3 1 ATOM 7398 N N . TYR E 1 92 ? -46.89081 -53.61649 19.32001 1.000 19.58167 ? 235 TYR M N 1 ATOM 7399 C CA . TYR E 1 92 ? -45.68029 -52.80625 19.21208 1.000 19.61866 ? 235 TYR M CA 1 ATOM 7400 C C . TYR E 1 92 ? -45.96326 -51.42235 19.78312 1.000 20.18752 ? 235 TYR M C 1 ATOM 7401 O O . TYR E 1 92 ? -46.97184 -50.78577 19.44344 1.000 20.77677 ? 235 TYR M O 1 ATOM 7402 C CB . TYR E 1 92 ? -45.22755 -52.69151 17.74612 1.000 20.09620 ? 235 TYR M CB 1 ATOM 7403 C CG . TYR E 1 92 ? -44.77359 -54.02165 17.22678 1.000 19.10137 ? 235 TYR M CG 1 ATOM 7404 C CD1 . TYR E 1 92 ? -43.45013 -54.42903 17.36762 1.000 18.86066 ? 235 TYR M CD1 1 ATOM 7405 C CD2 . TYR E 1 92 ? -45.66148 -54.89319 16.61634 1.000 19.12186 ? 235 TYR M CD2 1 ATOM 7406 C CE1 . TYR E 1 92 ? -43.03171 -55.64685 16.93387 1.000 18.75908 ? 235 TYR M CE1 1 ATOM 7407 C CE2 . TYR E 1 92 ? -45.23311 -56.13761 16.16037 1.000 19.61384 ? 235 TYR M CE2 1 ATOM 7408 C CZ . TYR E 1 92 ? -43.92137 -56.50713 16.31981 1.000 19.11647 ? 235 TYR M CZ 1 ATOM 7409 O OH . TYR E 1 92 ? -43.45660 -57.72061 15.89535 1.000 21.48646 ? 235 TYR M OH 1 ATOM 7410 H H . TYR E 1 92 ? -47.57365 -53.25165 18.94555 1.000 23.49478 ? 235 TYR M H 1 ATOM 7411 H HA . TYR E 1 92 ? -44.96405 -53.21138 19.72566 1.000 23.53916 ? 235 TYR M HA 1 ATOM 7412 H HB2 . TYR E 1 92 ? -45.96892 -52.38377 17.20155 1.000 24.11221 ? 235 TYR M HB2 1 ATOM 7413 H HB3 . TYR E 1 92 ? -44.48824 -52.06667 17.68366 1.000 24.11221 ? 235 TYR M HB3 1 ATOM 7414 H HD1 . TYR E 1 92 ? -42.83810 -53.85445 17.76783 1.000 22.62957 ? 235 TYR M HD1 1 ATOM 7415 H HD2 . TYR E 1 92 ? -46.55142 -54.64490 16.51018 1.000 22.94301 ? 235 TYR M HD2 1 ATOM 7416 H HE1 . TYR E 1 92 ? -42.14495 -55.90169 17.05056 1.000 22.50766 ? 235 TYR M HE1 1 ATOM 7417 H HE2 . TYR E 1 92 ? -45.83414 -56.71609 15.74924 1.000 23.53338 ? 235 TYR M HE2 1 ATOM 7418 H HH . TYR E 1 92 ? -44.07252 -58.29095 15.92620 1.000 25.78052 ? 235 TYR M HH 1 ATOM 7419 N N . TYR E 1 93 ? -45.06319 -50.95290 20.64034 1.000 18.89294 ? 236 TYR M N 1 ATOM 7420 C CA . TYR E 1 93 ? -45.20295 -49.66689 21.28577 1.000 18.47896 ? 236 TYR M CA 1 ATOM 7421 C C . TYR E 1 93 ? -43.97851 -48.81858 20.98719 1.000 18.59470 ? 236 TYR M C 1 ATOM 7422 O O . TYR E 1 93 ? -42.84768 -49.29175 21.09948 1.000 20.40600 ? 236 TYR M O 1 ATOM 7423 C CB . TYR E 1 93 ? -45.25088 -49.84829 22.81447 1.000 19.18757 ? 236 TYR M CB 1 ATOM 7424 C CG . TYR E 1 93 ? -46.48869 -50.52221 23.30848 1.000 18.20378 ? 236 TYR M CG 1 ATOM 7425 C CD1 . TYR E 1 93 ? -47.59945 -49.77046 23.63515 1.000 18.76872 ? 236 TYR M CD1 1 ATOM 7426 C CD2 . TYR E 1 93 ? -46.55232 -51.88802 23.45010 1.000 19.00166 ? 236 TYR M CD2 1 ATOM 7427 C CE1 . TYR E 1 93 ? -48.75206 -50.36157 24.06420 1.000 19.02590 ? 236 TYR M CE1 1 ATOM 7428 C CE2 . TYR E 1 93 ? -47.70479 -52.50728 23.90509 1.000 19.24509 ? 236 TYR M CE2 1 ATOM 7429 C CZ . TYR E 1 93 ? -48.80367 -51.73137 24.20298 1.000 19.59218 ? 236 TYR M CZ 1 ATOM 7430 O OH . TYR E 1 93 ? -49.95583 -52.31056 24.62929 1.000 21.22701 ? 236 TYR M OH 1 ATOM 7431 H H . TYR E 1 93 ? -44.34889 -51.37597 20.86481 1.000 22.66830 ? 236 TYR M H 1 ATOM 7432 H HA . TYR E 1 93 ? -46.00477 -49.22815 20.96099 1.000 22.17153 ? 236 TYR M HA 1 ATOM 7433 H HB2 . TYR E 1 93 ? -44.49240 -50.38787 23.08733 1.000 23.02185 ? 236 TYR M HB2 1 ATOM 7434 H HB3 . TYR E 1 93 ? -45.20393 -48.97437 23.23276 1.000 23.02185 ? 236 TYR M HB3 1 ATOM 7435 H HD1 . TYR E 1 93 ? -47.56152 -48.84417 23.56146 1.000 22.51923 ? 236 TYR M HD1 1 ATOM 7436 H HD2 . TYR E 1 93 ? -45.80919 -52.40493 23.23688 1.000 22.79876 ? 236 TYR M HD2 1 ATOM 7437 H HE1 . TYR E 1 93 ? -49.49831 -49.84293 24.26177 1.000 22.82785 ? 236 TYR M HE1 1 ATOM 7438 H HE2 . TYR E 1 93 ? -47.73629 -53.43106 24.00775 1.000 23.09088 ? 236 TYR M HE2 1 ATOM 7439 H HH . TYR E 1 93 ? -49.92986 -53.13851 24.48990 1.000 25.46918 ? 236 TYR M HH 1 ATOM 7440 N N A CYS E 1 94 ? -44.20094 -47.56568 20.63187 0.379 18.75283 ? 237 CYS M N 1 ATOM 7441 N N B CYS E 1 94 ? -44.20966 -47.55591 20.62989 0.621 18.82829 ? 237 CYS M N 1 ATOM 7442 C CA A CYS E 1 94 ? -43.11163 -46.60786 20.63650 0.379 18.61494 ? 237 CYS M CA 1 ATOM 7443 C CA B CYS E 1 94 ? -43.14341 -46.56403 20.61896 0.621 19.69829 ? 237 CYS M CA 1 ATOM 7444 C C A CYS E 1 94 ? -43.03294 -45.95341 22.01646 0.379 18.28186 ? 237 CYS M C 1 ATOM 7445 C C B CYS E 1 94 ? -43.07967 -45.84920 21.97770 0.621 19.03239 ? 237 CYS M C 1 ATOM 7446 O O A CYS E 1 94 ? -43.95704 -46.04283 22.83970 0.379 17.65709 ? 237 CYS M O 1 ATOM 7447 O O B CYS E 1 94 ? -44.05407 -45.79890 22.74620 0.621 18.25652 ? 237 CYS M O 1 ATOM 7448 C CB A CYS E 1 94 ? -43.32431 -45.55374 19.56713 0.379 20.50791 ? 237 CYS M CB 1 ATOM 7449 C CB B CYS E 1 94 ? -43.30465 -45.54618 19.48413 0.621 21.41284 ? 237 CYS M CB 1 ATOM 7450 S SG A CYS E 1 94 ? -44.80354 -44.64242 19.84433 0.379 22.20727 ? 237 CYS M SG 1 ATOM 7451 S SG B CYS E 1 94 ? -44.72028 -44.43338 19.57107 0.621 23.49733 ? 237 CYS M SG 1 ATOM 7452 H H A CYS E 1 94 ? -44.96289 -47.25044 20.38759 0.379 22.50016 ? 237 CYS M H 1 ATOM 7453 H H B CYS E 1 94 ? -44.97742 -47.25171 20.38987 0.621 22.59071 ? 237 CYS M H 1 ATOM 7454 H HA A CYS E 1 94 ? -42.27413 -47.05746 20.44323 0.379 22.33470 ? 237 CYS M HA 1 ATOM 7455 H HA B CYS E 1 94 ? -42.30024 -47.01666 20.46055 0.621 23.63472 ? 237 CYS M HA 1 ATOM 7456 H HB2 A CYS E 1 94 ? -42.57776 -44.93446 19.57482 0.379 24.60626 ? 237 CYS M HB2 1 ATOM 7457 H HB2 B CYS E 1 94 ? -42.51008 -44.99007 19.46703 0.621 25.69217 ? 237 CYS M HB2 1 ATOM 7458 H HB3 A CYS E 1 94 ? -43.38875 -45.98493 18.70063 0.379 24.60626 ? 237 CYS M HB3 1 ATOM 7459 H HB3 B CYS E 1 94 ? -43.38363 -46.03762 18.65158 0.621 25.69217 ? 237 CYS M HB3 1 ATOM 7460 N N . GLN E 1 95 ? -41.91084 -45.28448 22.26756 1.000 17.90635 ? 238 GLN M N 1 ATOM 7461 C CA . GLN E 1 95 ? -41.67910 -44.66156 23.56404 1.000 18.41264 ? 238 GLN M CA 1 ATOM 7462 C C . GLN E 1 95 ? -40.66181 -43.54581 23.39882 1.000 18.64667 ? 238 GLN M C 1 ATOM 7463 O O . GLN E 1 95 ? -39.66018 -43.71772 22.68660 1.000 18.65846 ? 238 GLN M O 1 ATOM 7464 C CB . GLN E 1 95 ? -41.14214 -45.70631 24.52982 1.000 19.32375 ? 238 GLN M CB 1 ATOM 7465 C CG . GLN E 1 95 ? -40.93088 -45.21354 25.94439 1.000 19.32118 ? 238 GLN M CG 1 ATOM 7466 C CD . GLN E 1 95 ? -39.47144 -45.12762 26.28795 1.000 21.75245 ? 238 GLN M CD 1 ATOM 7467 O OE1 . GLN E 1 95 ? -38.75778 -46.13160 26.29006 1.000 22.32106 ? 238 GLN M OE1 1 ATOM 7468 N NE2 . GLN E 1 95 ? -39.00575 -43.90874 26.56548 1.000 20.99130 ? 238 GLN M NE2 1 ATOM 7469 H H A GLN E 1 95 ? -41.27028 -45.17808 21.70367 0.379 21.48439 ? 238 GLN M H 1 ATOM 7470 H H B GLN E 1 95 ? -41.23951 -45.25000 21.73115 0.621 21.48439 ? 238 GLN M H 1 ATOM 7471 H HA . GLN E 1 95 ? -42.49652 -44.27270 23.91263 1.000 22.09194 ? 238 GLN M HA 1 ATOM 7472 H HB2 . GLN E 1 95 ? -41.77253 -46.44253 24.56848 1.000 23.18527 ? 238 GLN M HB2 1 ATOM 7473 H HB3 . GLN E 1 95 ? -40.28581 -46.01980 24.19919 1.000 23.18527 ? 238 GLN M HB3 1 ATOM 7474 H HG2 . GLN E 1 95 ? -41.31836 -44.32913 26.03692 1.000 23.18218 ? 238 GLN M HG2 1 ATOM 7475 H HG3 . GLN E 1 95 ? -41.35429 -45.82777 26.56434 1.000 23.18218 ? 238 GLN M HG3 1 ATOM 7476 H HE21 . GLN E 1 95 ? -39.53417 -43.23067 26.54102 1.000 25.18633 ? 238 GLN M HE21 1 ATOM 7477 H HE22 . GLN E 1 95 ? -38.17712 -43.80102 26.76885 1.000 25.18633 ? 238 GLN M HE22 1 ATOM 7478 N N . SER E 1 96 ? -40.89942 -42.43329 24.08524 1.000 18.19004 ? 239 SER M N 1 ATOM 7479 C CA . SER E 1 96 ? -39.97853 -41.30083 24.07853 1.000 17.50369 ? 239 SER M CA 1 ATOM 7480 C C . SER E 1 96 ? -40.03154 -40.65934 25.46050 1.000 18.64537 ? 239 SER M C 1 ATOM 7481 O O . SER E 1 96 ? -40.44274 -41.29404 26.43166 1.000 18.52107 ? 239 SER M O 1 ATOM 7482 C CB . SER E 1 96 ? -40.28196 -40.37045 22.88980 1.000 18.60535 ? 239 SER M CB 1 ATOM 7483 O OG . SER E 1 96 ? -39.24430 -39.45395 22.64652 1.000 20.31015 ? 239 SER M OG 1 ATOM 7484 H H . SER E 1 96 ? -41.59814 -42.30730 24.57054 1.000 21.82482 ? 239 SER M H 1 ATOM 7485 H HA . SER E 1 96 ? -39.06937 -41.61417 23.95145 1.000 21.00120 ? 239 SER M HA 1 ATOM 7486 H HB2 . SER E 1 96 ? -40.40715 -40.91370 22.09601 1.000 22.32320 ? 239 SER M HB2 1 ATOM 7487 H HB3 . SER E 1 96 ? -41.09294 -39.87499 23.08403 1.000 22.32320 ? 239 SER M HB3 1 ATOM 7488 H HG . SER E 1 96 ? -38.54411 -39.86382 22.42892 1.000 24.36895 ? 239 SER M HG 1 ATOM 7489 N N . TYR E 1 97 ? -39.60456 -39.41505 25.55909 1.000 17.64706 ? 240 TYR M N 1 ATOM 7490 C CA . TYR E 1 97 ? -39.49315 -38.74657 26.84543 1.000 19.01861 ? 240 TYR M CA 1 ATOM 7491 C C . TYR E 1 97 ? -39.84745 -37.27754 26.67203 1.000 19.66632 ? 240 TYR M C 1 ATOM 7492 O O . TYR E 1 97 ? -39.43150 -36.63989 25.70274 1.000 21.64280 ? 240 TYR M O 1 ATOM 7493 C CB . TYR E 1 97 ? -38.08082 -38.87102 27.38865 1.000 18.91909 ? 240 TYR M CB 1 ATOM 7494 C CG . TYR E 1 97 ? -37.88464 -38.40279 28.81412 1.000 19.11854 ? 240 TYR M CG 1 ATOM 7495 C CD1 . TYR E 1 97 ? -38.30908 -39.17393 29.88581 1.000 18.74973 ? 240 TYR M CD1 1 ATOM 7496 C CD2 . TYR E 1 97 ? -37.22913 -37.21222 29.07682 1.000 19.97149 ? 240 TYR M CD2 1 ATOM 7497 C CE1 . TYR E 1 97 ? -38.11010 -38.74572 31.19199 1.000 18.83157 ? 240 TYR M CE1 1 ATOM 7498 C CE2 . TYR E 1 97 ? -37.01845 -36.77117 30.39285 1.000 20.97057 ? 240 TYR M CE2 1 ATOM 7499 C CZ . TYR E 1 97 ? -37.47444 -37.55907 31.43269 1.000 21.35883 ? 240 TYR M CZ 1 ATOM 7500 O OH . TYR E 1 97 ? -37.27503 -37.16051 32.74424 1.000 22.74826 ? 240 TYR M OH 1 ATOM 7501 H H . TYR E 1 97 ? -39.36996 -38.92873 24.88972 1.000 21.17324 ? 240 TYR M H 1 ATOM 7502 H HA . TYR E 1 97 ? -40.11514 -39.13866 27.47811 1.000 22.81911 ? 240 TYR M HA 1 ATOM 7503 H HB2 . TYR E 1 97 ? -37.82238 -39.80532 27.35413 1.000 22.69968 ? 240 TYR M HB2 1 ATOM 7504 H HB3 . TYR E 1 97 ? -37.49118 -38.34277 26.82814 1.000 22.69968 ? 240 TYR M HB3 1 ATOM 7505 H HD1 . TYR E 1 97 ? -38.73181 -39.98714 29.72805 1.000 22.49644 ? 240 TYR M HD1 1 ATOM 7506 H HD2 . TYR E 1 97 ? -36.92235 -36.69450 28.36777 1.000 23.96256 ? 240 TYR M HD2 1 ATOM 7507 H HE1 . TYR E 1 97 ? -38.40905 -39.26580 31.90266 1.000 22.59465 ? 240 TYR M HE1 1 ATOM 7508 H HE2 . TYR E 1 97 ? -36.58210 -35.96730 30.56105 1.000 25.16145 ? 240 TYR M HE2 1 ATOM 7509 H HH . TYR E 1 97 ? -36.88400 -36.41730 32.76236 1.000 27.29469 ? 240 TYR M HH 1 ATOM 7510 N N . ASP E 1 98 ? -40.62460 -36.74953 27.61641 1.000 20.24805 ? 241 ASP M N 1 ATOM 7511 C CA . ASP E 1 98 ? -41.04699 -35.35323 27.62221 1.000 21.51030 ? 241 ASP M CA 1 ATOM 7512 C C . ASP E 1 98 ? -40.15574 -34.64875 28.64367 1.000 22.75359 ? 241 ASP M C 1 ATOM 7513 O O . ASP E 1 98 ? -40.27682 -34.87573 29.85487 1.000 24.36985 ? 241 ASP M O 1 ATOM 7514 C CB . ASP E 1 98 ? -42.52294 -35.27997 28.01170 1.000 22.16787 ? 241 ASP M CB 1 ATOM 7515 C CG . ASP E 1 98 ? -43.08749 -33.88920 27.90879 1.000 24.59745 ? 241 ASP M CG 1 ATOM 7516 O OD1 . ASP E 1 98 ? -42.43619 -32.93652 28.41134 1.000 25.81437 ? 241 ASP M OD1 1 ATOM 7517 O OD2 . ASP E 1 98 ? -44.20038 -33.73443 27.34736 1.000 26.68552 -1 241 ASP M OD2 1 ATOM 7518 H H . ASP E 1 98 ? -40.92894 -37.19635 28.28524 1.000 24.29444 ? 241 ASP M H 1 ATOM 7519 H HA . ASP E 1 98 ? -40.93815 -34.92927 26.75659 1.000 25.80913 ? 241 ASP M HA 1 ATOM 7520 H HB2 . ASP E 1 98 ? -43.03407 -35.85493 27.42089 1.000 26.59822 ? 241 ASP M HB2 1 ATOM 7521 H HB3 . ASP E 1 98 ? -42.62196 -35.57596 28.93011 1.000 26.59822 ? 241 ASP M HB3 1 ATOM 7522 N N . ARG E 1 99 ? -39.23442 -33.82668 28.14518 1.000 23.97347 ? 242 ARG M N 1 ATOM 7523 C CA . ARG E 1 99 ? -38.25375 -33.15563 28.98661 1.000 24.55053 ? 242 ARG M CA 1 ATOM 7524 C C . ARG E 1 99 ? -38.87934 -32.07225 29.84729 1.000 27.36598 ? 242 ARG M C 1 ATOM 7525 O O . ARG E 1 99 ? -38.34565 -31.76510 30.92009 1.000 28.80757 ? 242 ARG M O 1 ATOM 7526 C CB . ARG E 1 99 ? -37.18432 -32.49680 28.09354 1.000 25.03636 ? 242 ARG M CB 1 ATOM 7527 C CG . ARG E 1 99 ? -36.28708 -33.46560 27.35273 1.000 24.25836 ? 242 ARG M CG 1 ATOM 7528 C CD . ARG E 1 99 ? -35.27652 -32.73328 26.45485 1.000 22.82549 ? 242 ARG M CD 1 ATOM 7529 N NE . ARG E 1 99 ? -34.62573 -33.61179 25.48262 1.000 24.12591 ? 242 ARG M NE 1 ATOM 7530 C CZ . ARG E 1 99 ? -33.32494 -33.87866 25.45647 1.000 23.11331 ? 242 ARG M CZ 1 ATOM 7531 N NH1 . ARG E 1 99 ? -32.48558 -33.29838 26.29425 1.000 22.58569 ? 242 ARG M NH1 1 ATOM 7532 N NH2 . ARG E 1 99 ? -32.84963 -34.73211 24.54782 1.000 22.64004 ? 242 ARG M NH2 1 ATOM 7533 H H . ARG E 1 99 ? -39.15599 -33.63879 27.30963 1.000 28.76494 ? 242 ARG M H 1 ATOM 7534 H HA . ARG E 1 99 ? -37.83925 -33.81519 29.56460 1.000 29.45741 ? 242 ARG M HA 1 ATOM 7535 H HB2 . ARG E 1 99 ? -37.63272 -31.94954 27.42996 1.000 30.04040 ? 242 ARG M HB2 1 ATOM 7536 H HB3 . ARG E 1 99 ? -36.61659 -31.94275 28.65177 1.000 30.04040 ? 242 ARG M HB3 1 ATOM 7537 H HG2 . ARG E 1 99 ? -35.79257 -33.99902 27.99447 1.000 29.10681 ? 242 ARG M HG2 1 ATOM 7538 H HG3 . ARG E 1 99 ? -36.83065 -34.04089 26.79195 1.000 29.10681 ? 242 ARG M HG3 1 ATOM 7539 H HD2 . ARG E 1 99 ? -35.73942 -32.03667 25.96357 1.000 27.38735 ? 242 ARG M HD2 1 ATOM 7540 H HD3 . ARG E 1 99 ? -34.58558 -32.34279 27.01254 1.000 27.38735 ? 242 ARG M HD3 1 ATOM 7541 H HE . ARG E 1 99 ? -35.12113 -33.98203 24.88505 1.000 28.94786 ? 242 ARG M HE 1 ATOM 7542 H HH11 . ARG E 1 99 ? -32.77765 -32.73371 26.87341 1.000 27.09959 ? 242 ARG M HH11 1 ATOM 7543 H HH12 . ARG E 1 99 ? -31.64675 -33.48508 26.26080 1.000 27.09959 ? 242 ARG M HH12 1 ATOM 7544 H HH21 . ARG E 1 99 ? -33.38420 -35.10385 23.98599 1.000 27.16482 ? 242 ARG M HH21 1 ATOM 7545 H HH22 . ARG E 1 99 ? -32.00868 -34.91052 24.52393 1.000 27.16482 ? 242 ARG M HH22 1 ATOM 7546 N N . SER E 1 100 ? -39.99511 -31.48669 29.41272 1.000 29.66510 ? 243 SER M N 1 ATOM 7547 C CA . SER E 1 100 ? -40.61264 -30.42584 30.19889 1.000 36.65974 ? 243 SER M CA 1 ATOM 7548 C C . SER E 1 100 ? -41.29026 -30.98226 31.44559 1.000 32.54776 ? 243 SER M C 1 ATOM 7549 O O . SER E 1 100 ? -41.20883 -30.38455 32.51966 1.000 31.19404 ? 243 SER M O 1 ATOM 7550 C CB . SER E 1 100 ? -41.62016 -29.67217 29.33388 1.000 47.65683 ? 243 SER M CB 1 ATOM 7551 O OG . SER E 1 100 ? -42.15949 -28.57286 30.04731 1.000 57.00236 ? 243 SER M OG 1 ATOM 7552 H H . SER E 1 100 ? -40.40421 -31.68209 28.68193 1.000 35.59489 ? 243 SER M H 1 ATOM 7553 H HA . SER E 1 100 ? -39.92960 -29.79970 30.48575 1.000 43.98846 ? 243 SER M HA 1 ATOM 7554 H HB2 . SER E 1 100 ? -41.17305 -29.34528 28.53756 1.000 57.18497 ? 243 SER M HB2 1 ATOM 7555 H HB3 . SER E 1 100 ? -42.33958 -30.27414 29.08696 1.000 57.18497 ? 243 SER M HB3 1 ATOM 7556 H HG . SER E 1 100 ? -42.71018 -28.16010 29.56568 1.000 68.39960 ? 243 SER M HG 1 ATOM 7557 N N . ASN E 1 101 ? -41.95608 -32.12530 31.32606 1.000 28.37283 ? 244 ASN M N 1 ATOM 7558 C CA . ASN E 1 101 ? -42.64338 -32.74547 32.44499 1.000 27.70801 ? 244 ASN M CA 1 ATOM 7559 C C . ASN E 1 101 ? -41.81176 -33.82049 33.11519 1.000 26.37138 ? 244 ASN M C 1 ATOM 7560 O O . ASN E 1 101 ? -42.24381 -34.35834 34.14023 1.000 26.44417 ? 244 ASN M O 1 ATOM 7561 C CB . ASN E 1 101 ? -43.95866 -33.35621 31.96842 1.000 29.95195 ? 244 ASN M CB 1 ATOM 7562 C CG . ASN E 1 101 ? -44.98068 -32.31177 31.63423 1.000 31.69861 ? 244 ASN M CG 1 ATOM 7563 O OD1 . ASN E 1 101 ? -44.90028 -31.17711 32.11630 1.000 33.12156 ? 244 ASN M OD1 1 ATOM 7564 N ND2 . ASN E 1 101 ? -45.94769 -32.67515 30.81041 1.000 32.09158 ? 244 ASN M ND2 1 ATOM 7565 H H . ASN E 1 101 ? -42.02400 -32.56739 30.59152 1.000 34.04416 ? 244 ASN M H 1 ATOM 7566 H HA . ASN E 1 101 ? -42.84898 -32.06736 33.10741 1.000 33.24638 ? 244 ASN M HA 1 ATOM 7567 H HB2 . ASN E 1 101 ? -43.79403 -33.88387 31.17132 1.000 35.93911 ? 244 ASN M HB2 1 ATOM 7568 H HB3 . ASN E 1 101 ? -44.32060 -33.91951 32.67027 1.000 35.93911 ? 244 ASN M HB3 1 ATOM 7569 H HD21 . ASN E 1 101 ? -45.96684 -33.47548 30.49623 1.000 38.50667 ? 244 ASN M HD21 1 ATOM 7570 H HD22 . ASN E 1 101 ? -46.55795 -32.11133 30.58838 1.000 38.50667 ? 244 ASN M HD22 1 ATOM 7571 N N . HIS E 1 102 ? -40.65251 -34.15780 32.53959 1.000 25.03249 ? 245 HIS M N 1 ATOM 7572 C CA . HIS E 1 102 ? -39.80433 -35.22227 33.05172 1.000 26.41495 ? 245 HIS M CA 1 ATOM 7573 C C . HIS E 1 102 ? -40.55575 -36.54612 33.15430 1.000 22.62833 ? 245 HIS M C 1 ATOM 7574 O O . HIS E 1 102 ? -40.51423 -37.22869 34.18204 1.000 23.25873 ? 245 HIS M O 1 ATOM 7575 C CB . HIS E 1 102 ? -39.20117 -34.81505 34.39523 1.000 35.05974 ? 245 HIS M CB 1 ATOM 7576 C CG . HIS E 1 102 ? -38.35182 -33.59343 34.29432 1.000 45.48163 ? 245 HIS M CG 1 ATOM 7577 N ND1 . HIS E 1 102 ? -38.85464 -32.31648 34.42356 1.000 47.99617 ? 245 HIS M ND1 1 ATOM 7578 C CD2 . HIS E 1 102 ? -37.03360 -33.45474 34.02572 1.000 52.44046 ? 245 HIS M CD2 1 ATOM 7579 C CE1 . HIS E 1 102 ? -37.87655 -31.44406 34.25928 1.000 50.25402 ? 245 HIS M CE1 1 ATOM 7580 N NE2 . HIS E 1 102 ? -36.76064 -32.10982 34.01857 1.000 53.01327 ? 245 HIS M NE2 1 ATOM 7581 H H . HIS E 1 102 ? -40.33566 -33.77357 31.83847 1.000 30.03576 ? 245 HIS M H 1 ATOM 7582 H HA . HIS E 1 102 ? -39.08045 -35.36956 32.42307 1.000 31.69471 ? 245 HIS M HA 1 ATOM 7583 H HB2 . HIS E 1 102 ? -39.91866 -34.63205 35.02183 1.000 42.06846 ? 245 HIS M HB2 1 ATOM 7584 H HB3 . HIS E 1 102 ? -38.64814 -35.53980 34.72658 1.000 42.06846 ? 245 HIS M HB3 1 ATOM 7585 H HD2 . HIS E 1 102 ? -36.42582 -34.14215 33.87422 1.000 62.92532 ? 245 HIS M HD2 1 ATOM 7586 H HE1 . HIS E 1 102 ? -37.95915 -30.51888 34.30519 1.000 60.30159 ? 245 HIS M HE1 1 ATOM 7587 H HE2 . HIS E 1 102 ? -35.98853 -31.75738 33.87992 1.000 63.61269 ? 245 HIS M HE2 1 ATOM 7588 N N . GLU E 1 103 ? -41.20117 -36.94011 32.05135 1.000 19.83932 ? 246 GLU M N 1 ATOM 7589 C CA . GLU E 1 103 ? -41.97980 -38.16245 32.03801 1.000 19.68116 ? 246 GLU M CA 1 ATOM 7590 C C . GLU E 1 103 ? -41.71576 -38.97481 30.78295 1.000 18.80149 ? 246 GLU M C 1 ATOM 7591 O O . GLU E 1 103 ? -41.56575 -38.41955 29.69115 1.000 20.05795 ? 246 GLU M O 1 ATOM 7592 C CB . GLU E 1 103 ? -43.48657 -37.89159 32.12034 1.000 19.97483 ? 246 GLU M CB 1 ATOM 7593 C CG . GLU E 1 103 ? -43.93453 -37.17379 33.37360 1.000 20.72696 ? 246 GLU M CG 1 ATOM 7594 C CD . GLU E 1 103 ? -45.43974 -37.24738 33.60979 1.000 22.15419 ? 246 GLU M CD 1 ATOM 7595 O OE1 . GLU E 1 103 ? -46.13494 -38.13210 33.05562 1.000 23.66032 ? 246 GLU M OE1 1 ATOM 7596 O OE2 . GLU E 1 103 ? -45.92779 -36.40833 34.38343 1.000 23.85379 -1 246 GLU M OE2 1 ATOM 7597 H H . GLU E 1 103 ? -41.19766 -36.51168 31.30567 1.000 23.80395 ? 246 GLU M H 1 ATOM 7598 H HA . GLU E 1 103 ? -41.69876 -38.68480 32.80551 1.000 23.61416 ? 246 GLU M HA 1 ATOM 7599 H HB2 . GLU E 1 103 ? -43.74241 -37.34270 31.36260 1.000 23.96656 ? 246 GLU M HB2 1 ATOM 7600 H HB3 . GLU E 1 103 ? -43.95412 -38.74084 32.08771 1.000 23.96656 ? 246 GLU M HB3 1 ATOM 7601 H HG2 . GLU E 1 103 ? -43.49380 -37.57476 34.13902 1.000 24.86913 ? 246 GLU M HG2 1 ATOM 7602 H HG3 . GLU E 1 103 ? -43.69036 -36.23769 33.30296 1.000 24.86913 ? 246 GLU M HG3 1 ATOM 7603 N N . VAL E 1 104 ? -41.69549 -40.29343 30.95383 1.000 17.99291 ? 247 VAL M N 1 ATOM 7604 C CA . VAL E 1 104 ? -41.74586 -41.20334 29.81260 1.000 17.61308 ? 247 VAL M CA 1 ATOM 7605 C C . VAL E 1 104 ? -43.09823 -41.07842 29.12425 1.000 19.30725 ? 247 VAL M C 1 ATOM 7606 O O . VAL E 1 104 ? -44.13763 -40.96175 29.78698 1.000 20.53901 ? 247 VAL M O 1 ATOM 7607 C CB . VAL E 1 104 ? -41.54183 -42.64250 30.30275 1.000 17.86634 ? 247 VAL M CB 1 ATOM 7608 C CG1 . VAL E 1 104 ? -41.83158 -43.65851 29.19456 1.000 19.26839 ? 247 VAL M CG1 1 ATOM 7609 C CG2 . VAL E 1 104 ? -40.12810 -42.82992 30.86585 1.000 18.42432 ? 247 VAL M CG2 1 ATOM 7610 H H . VAL E 1 104 ? -41.65301 -40.68643 31.71760 1.000 21.58826 ? 247 VAL M H 1 ATOM 7611 H HA . VAL E 1 104 ? -41.04668 -40.96940 29.18227 1.000 21.13246 ? 247 VAL M HA 1 ATOM 7612 H HB . VAL E 1 104 ? -42.17421 -42.81017 31.01891 1.000 21.43638 ? 247 VAL M HB 1 ATOM 7613 H HG11 . VAL E 1 104 ? -41.41702 -44.50451 29.42548 1.000 23.11884 ? 247 VAL M HG11 1 ATOM 7614 H HG12 . VAL E 1 104 ? -42.79149 -43.77186 29.11314 1.000 23.11884 ? 247 VAL M HG12 1 ATOM 7615 H HG13 . VAL E 1 104 ? -41.46553 -43.32784 28.35936 1.000 23.11884 ? 247 VAL M HG13 1 ATOM 7616 H HG21 . VAL E 1 104 ? -40.00090 -43.76369 31.09560 1.000 22.10595 ? 247 VAL M HG21 1 ATOM 7617 H HG22 . VAL E 1 104 ? -39.48225 -42.56394 30.19277 1.000 22.10595 ? 247 VAL M HG22 1 ATOM 7618 H HG23 . VAL E 1 104 ? -40.02759 -42.27793 31.65711 1.000 22.10595 ? 247 VAL M HG23 1 ATOM 7619 N N . VAL E 1 105 ? -43.10139 -41.14027 27.79250 1.000 18.36417 ? 248 VAL M N 1 ATOM 7620 C CA . VAL E 1 105 ? -44.33043 -41.16571 27.01218 1.000 19.61663 ? 248 VAL M CA 1 ATOM 7621 C C . VAL E 1 105 ? -44.32013 -42.43675 26.17280 1.000 19.21246 ? 248 VAL M C 1 ATOM 7622 O O . VAL E 1 105 ? -43.34809 -42.71173 25.45250 1.000 19.69760 ? 248 VAL M O 1 ATOM 7623 C CB . VAL E 1 105 ? -44.43872 -39.92498 26.11206 1.000 20.25927 ? 248 VAL M CB 1 ATOM 7624 C CG1 . VAL E 1 105 ? -45.67307 -40.00891 25.22741 1.000 21.78451 ? 248 VAL M CG1 1 ATOM 7625 C CG2 . VAL E 1 105 ? -44.44372 -38.64476 26.94093 1.000 20.73819 ? 248 VAL M CG2 1 ATOM 7626 H H . VAL E 1 105 ? -42.38798 -41.16883 27.31309 1.000 22.03377 ? 248 VAL M H 1 ATOM 7627 H HA . VAL E 1 105 ? -45.09885 -41.18879 27.60370 1.000 23.53672 ? 248 VAL M HA 1 ATOM 7628 H HB . VAL E 1 105 ? -43.65991 -39.89493 25.53460 1.000 24.30789 ? 248 VAL M HB 1 ATOM 7629 H HG11 . VAL E 1 105 ? -45.68406 -39.24676 24.62748 1.000 26.13818 ? 248 VAL M HG11 1 ATOM 7630 H HG12 . VAL E 1 105 ? -45.63944 -40.83224 24.71565 1.000 26.13818 ? 248 VAL M HG12 1 ATOM 7631 H HG13 . VAL E 1 105 ? -46.46460 -40.00001 25.78804 1.000 26.13818 ? 248 VAL M HG13 1 ATOM 7632 H HG21 . VAL E 1 105 ? -44.34447 -37.88393 26.34747 1.000 24.88260 ? 248 VAL M HG21 1 ATOM 7633 H HG22 . VAL E 1 105 ? -45.28441 -38.58251 27.42079 1.000 24.88260 ? 248 VAL M HG22 1 ATOM 7634 H HG23 . VAL E 1 105 ? -43.70539 -38.67256 27.56941 1.000 24.88260 ? 248 VAL M HG23 1 ATOM 7635 N N . PHE E 1 106 ? -45.39831 -43.20228 26.25776 1.000 20.16733 ? 249 PHE M N 1 ATOM 7636 C CA . PHE E 1 106 ? -45.61694 -44.35208 25.39294 1.000 18.68766 ? 249 PHE M CA 1 ATOM 7637 C C . PHE E 1 106 ? -46.68376 -44.03545 24.36711 1.000 19.20731 ? 249 PHE M C 1 ATOM 7638 O O . PHE E 1 106 ? -47.67459 -43.36396 24.68143 1.000 20.16886 ? 249 PHE M O 1 ATOM 7639 C CB . PHE E 1 106 ? -46.13566 -45.55342 26.18315 1.000 19.41573 ? 249 PHE M CB 1 ATOM 7640 C CG . PHE E 1 106 ? -45.10306 -46.22820 27.00987 1.000 19.90250 ? 249 PHE M CG 1 ATOM 7641 C CD1 . PHE E 1 106 ? -44.20699 -47.11756 26.43791 1.000 20.73734 ? 249 PHE M CD1 1 ATOM 7642 C CD2 . PHE E 1 106 ? -45.05314 -46.01097 28.37919 1.000 20.90610 ? 249 PHE M CD2 1 ATOM 7643 C CE1 . PHE E 1 106 ? -43.26954 -47.76185 27.20075 1.000 20.62533 ? 249 PHE M CE1 1 ATOM 7644 C CE2 . PHE E 1 106 ? -44.11383 -46.65192 29.15779 1.000 20.85061 ? 249 PHE M CE2 1 ATOM 7645 C CZ . PHE E 1 106 ? -43.22367 -47.53936 28.57126 1.000 20.84446 ? 249 PHE M CZ 1 ATOM 7646 H H . PHE E 1 106 ? -46.03341 -43.07240 26.82289 1.000 24.19756 ? 249 PHE M H 1 ATOM 7647 H HA . PHE E 1 106 ? -44.77420 -44.56399 24.96190 1.000 22.42196 ? 249 PHE M HA 1 ATOM 7648 H HB2 . PHE E 1 106 ? -46.83949 -45.25256 26.77899 1.000 23.29565 ? 249 PHE M HB2 1 ATOM 7649 H HB3 . PHE E 1 106 ? -46.48663 -46.20755 25.55878 1.000 23.29565 ? 249 PHE M HB3 1 ATOM 7650 H HD1 . PHE E 1 106 ? -44.24281 -47.27919 25.52276 1.000 24.88157 ? 249 PHE M HD1 1 ATOM 7651 H HD2 . PHE E 1 106 ? -45.65921 -45.42737 28.77541 1.000 25.08409 ? 249 PHE M HD2 1 ATOM 7652 H HE1 . PHE E 1 106 ? -42.66567 -48.34638 26.80256 1.000 24.74717 ? 249 PHE M HE1 1 ATOM 7653 H HE2 . PHE E 1 106 ? -44.07696 -46.49007 30.07286 1.000 25.01750 ? 249 PHE M HE2 1 ATOM 7654 H HZ . PHE E 1 106 ? -42.59709 -47.98472 29.09466 1.000 25.01013 ? 249 PHE M HZ 1 ATOM 7655 N N . GLY E 1 107 ? -46.50431 -44.53619 23.14319 1.000 19.48343 ? 250 GLY M N 1 ATOM 7656 C CA . GLY E 1 107 ? -47.63375 -44.57013 22.24432 1.000 20.67470 ? 250 GLY M CA 1 ATOM 7657 C C . GLY E 1 107 ? -48.66954 -45.56520 22.74287 1.000 20.48807 ? 250 GLY M C 1 ATOM 7658 O O . GLY E 1 107 ? -48.42325 -46.37047 23.65258 1.000 19.81986 ? 250 GLY M O 1 ATOM 7659 H H . GLY E 1 107 ? -45.76564 -44.84717 22.83133 1.000 23.37689 ? 250 GLY M H 1 ATOM 7660 H HA2 . GLY E 1 107 ? -48.04049 -43.69106 22.19245 1.000 24.80641 ? 250 GLY M HA2 1 ATOM 7661 H HA3 . GLY E 1 107 ? -47.34215 -44.83596 21.35820 1.000 24.80641 ? 250 GLY M HA3 1 ATOM 7662 N N . GLY E 1 108 ? -49.84826 -45.51343 22.12056 1.000 21.53065 ? 251 GLY M N 1 ATOM 7663 C CA . GLY E 1 108 ? -50.95172 -46.35895 22.52318 1.000 22.61491 ? 251 GLY M CA 1 ATOM 7664 C C . GLY E 1 108 ? -50.82545 -47.81810 22.14257 1.000 21.44814 ? 251 GLY M C 1 ATOM 7665 O O . GLY E 1 108 ? -51.64252 -48.63148 22.60066 1.000 24.15881 ? 251 GLY M O 1 ATOM 7666 H H . GLY E 1 108 ? -50.02756 -44.99234 21.46032 1.000 25.83356 ? 251 GLY M H 1 ATOM 7667 H HA2 . GLY E 1 108 ? -51.03833 -46.31421 23.48827 1.000 27.13466 ? 251 GLY M HA2 1 ATOM 7668 H HA3 . GLY E 1 108 ? -51.76455 -46.01939 22.11709 1.000 27.13466 ? 251 GLY M HA3 1 ATOM 7669 N N . GLY E 1 109 ? -49.84512 -48.16820 21.31498 1.000 20.38377 ? 252 GLY M N 1 ATOM 7670 C CA . GLY E 1 109 ? -49.69322 -49.54759 20.89845 1.000 20.43592 ? 252 GLY M CA 1 ATOM 7671 C C . GLY E 1 109 ? -50.38681 -49.87417 19.58892 1.000 20.72325 ? 252 GLY M C 1 ATOM 7672 O O . GLY E 1 109 ? -51.48679 -49.38841 19.30344 1.000 21.94542 ? 252 GLY M O 1 ATOM 7673 H H . GLY E 1 109 ? -49.26296 -47.62710 20.98648 1.000 24.45729 ? 252 GLY M H 1 ATOM 7674 H HA2 . GLY E 1 109 ? -48.74885 -49.74285 20.79389 1.000 24.51987 ? 252 GLY M HA2 1 ATOM 7675 H HA3 . GLY E 1 109 ? -50.06124 -50.12613 21.58457 1.000 24.51987 ? 252 GLY M HA3 1 ATOM 7676 N N . THR E 1 110 ? -49.75122 -50.71207 18.78554 1.000 19.59701 ? 253 THR M N 1 ATOM 7677 C CA . THR E 1 110 ? -50.31167 -51.19670 17.53174 1.000 19.75896 ? 253 THR M CA 1 ATOM 7678 C C . THR E 1 110 ? -50.32818 -52.71253 17.57838 1.000 21.47071 ? 253 THR M C 1 ATOM 7679 O O . THR E 1 110 ? -49.28120 -53.33373 17.77166 1.000 22.00119 ? 253 THR M O 1 ATOM 7680 C CB . THR E 1 110 ? -49.44668 -50.76394 16.35261 1.000 20.73386 ? 253 THR M CB 1 ATOM 7681 O OG1 . THR E 1 110 ? -49.40561 -49.35117 16.24026 1.000 21.97034 ? 253 THR M OG1 1 ATOM 7682 C CG2 . THR E 1 110 ? -49.98816 -51.37902 15.03853 1.000 22.80903 ? 253 THR M CG2 1 ATOM 7683 H H . THR E 1 110 ? -48.96730 -51.02538 18.94961 1.000 23.51318 ? 253 THR M H 1 ATOM 7684 H HA . THR E 1 110 ? -51.21227 -50.85222 17.42617 1.000 23.70752 ? 253 THR M HA 1 ATOM 7685 H HB . THR E 1 110 ? -48.54072 -51.07935 16.49633 1.000 24.87740 ? 253 THR M HB 1 ATOM 7686 H HG1 . THR E 1 110 ? -50.17442 -49.05327 16.07967 1.000 26.36118 ? 253 THR M HG1 1 ATOM 7687 H HG21 . THR E 1 110 ? -49.52472 -50.99603 14.27732 1.000 27.36760 ? 253 THR M HG21 1 ATOM 7688 H HG22 . THR E 1 110 ? -49.85062 -52.33922 15.04031 1.000 27.36760 ? 253 THR M HG22 1 ATOM 7689 H HG23 . THR E 1 110 ? -50.93714 -51.19710 14.95344 1.000 27.36760 ? 253 THR M HG23 1 ATOM 7690 N N . LYS E 1 111 ? -51.50434 -53.30983 17.39675 1.000 22.29217 ? 254 LYS M N 1 ATOM 7691 C CA . LYS E 1 111 ? -51.58248 -54.75802 17.25938 1.000 24.01481 ? 254 LYS M CA 1 ATOM 7692 C C . LYS E 1 111 ? -51.35570 -55.10006 15.79588 1.000 22.26138 ? 254 LYS M C 1 ATOM 7693 O O . LYS E 1 111 ? -52.11225 -54.64912 14.93529 1.000 22.23813 ? 254 LYS M O 1 ATOM 7694 C CB . LYS E 1 111 ? -52.92334 -55.33066 17.73346 1.000 33.01536 ? 254 LYS M CB 1 ATOM 7695 C CG . LYS E 1 111 ? -52.89626 -56.87089 17.76567 1.000 42.86008 ? 254 LYS M CG 1 ATOM 7696 C CD . LYS E 1 111 ? -54.10294 -57.49118 18.47872 1.000 53.05605 ? 254 LYS M CD 1 ATOM 7697 C CE . LYS E 1 111 ? -53.75739 -57.95195 19.89596 1.000 66.31627 ? 254 LYS M CE 1 ATOM 7698 N NZ . LYS E 1 111 ? -53.66081 -56.84076 20.81539 1.000 72.15212 ? 254 LYS M NZ 1 ATOM 7699 H H . LYS E 1 111 ? -52.26010 -52.90205 17.35046 1.000 26.74737 ? 254 LYS M H 1 ATOM 7700 H HA . LYS E 1 111 ? -50.90009 -55.16016 17.81931 1.000 28.81455 ? 254 LYS M HA 1 ATOM 7701 H HB2 . LYS E 1 111 ? -53.11109 -55.00890 18.62907 1.000 39.61520 ? 254 LYS M HB2 1 ATOM 7702 H HB3 . LYS E 1 111 ? -53.62526 -55.04937 17.12593 1.000 39.61520 ? 254 LYS M HB3 1 ATOM 7703 H HG2 . LYS E 1 111 ? -52.88809 -57.20316 16.85439 1.000 51.42886 ? 254 LYS M HG2 1 ATOM 7704 H HG3 . LYS E 1 111 ? -52.09625 -57.16044 18.23155 1.000 51.42886 ? 254 LYS M HG3 1 ATOM 7705 H HD2 . LYS E 1 111 ? -54.81171 -56.83172 18.53928 1.000 63.66403 ? 254 LYS M HD2 1 ATOM 7706 H HD3 . LYS E 1 111 ? -54.40921 -58.26218 17.97607 1.000 63.66403 ? 254 LYS M HD3 1 ATOM 7707 H HE2 . LYS E 1 111 ? -54.45054 -58.55064 20.21535 1.000 79.57630 ? 254 LYS M HE2 1 ATOM 7708 H HE3 . LYS E 1 111 ? -52.90275 -58.41058 19.88350 1.000 79.57630 ? 254 LYS M HE3 1 ATOM 7709 H HZ1 . LYS E 1 111 ? -53.36598 -57.12440 21.60578 1.000 86.57931 ? 254 LYS M HZ1 1 ATOM 7710 H HZ2 . LYS E 1 111 ? -53.09528 -56.23126 20.49792 1.000 86.57931 ? 254 LYS M HZ2 1 ATOM 7711 H HZ3 . LYS E 1 111 ? -54.46017 -56.46461 20.92331 1.000 86.57931 ? 254 LYS M HZ3 1 ATOM 7712 N N . LEU E 1 112 ? -50.30204 -55.84929 15.51868 1.000 21.63911 ? 255 LEU M N 1 ATOM 7713 C CA . LEU E 1 112 ? -49.94583 -56.24263 14.16331 1.000 21.12002 ? 255 LEU M CA 1 ATOM 7714 C C . LEU E 1 112 ? -50.51307 -57.62165 13.89148 1.000 20.90574 ? 255 LEU M C 1 ATOM 7715 O O . LEU E 1 112 ? -50.18875 -58.58383 14.60527 1.000 22.71939 ? 255 LEU M O 1 ATOM 7716 C CB . LEU E 1 112 ? -48.42353 -56.25306 13.99485 1.000 21.68629 ? 255 LEU M CB 1 ATOM 7717 C CG . LEU E 1 112 ? -47.90239 -56.74417 12.63489 1.000 23.06856 ? 255 LEU M CG 1 ATOM 7718 C CD1 . LEU E 1 112 ? -48.37459 -55.84312 11.52157 1.000 25.28899 ? 255 LEU M CD1 1 ATOM 7719 C CD2 . LEU E 1 112 ? -46.39180 -56.81061 12.66880 1.000 24.39723 ? 255 LEU M CD2 1 ATOM 7720 H H . LEU E 1 112 ? -49.76130 -56.15180 16.11508 1.000 25.96370 ? 255 LEU M H 1 ATOM 7721 H HA . LEU E 1 112 ? -50.32733 -55.61752 13.52723 1.000 25.34080 ? 255 LEU M HA 1 ATOM 7722 H HB2 . LEU E 1 112 ? -48.09906 -55.34716 14.11720 1.000 26.02031 ? 255 LEU M HB2 1 ATOM 7723 H HB3 . LEU E 1 112 ? -48.04763 -56.83466 14.67408 1.000 26.02031 ? 255 LEU M HB3 1 ATOM 7724 H HG . LEU E 1 112 ? -48.24991 -57.63165 12.45459 1.000 27.67904 ? 255 LEU M HG 1 ATOM 7725 H HD11 . LEU E 1 112 ? -47.93783 -56.10552 10.69617 1.000 30.34356 ? 255 LEU M HD11 1 ATOM 7726 H HD12 . LEU E 1 112 ? -49.33614 -55.93195 11.42973 1.000 30.34356 ? 255 LEU M HD12 1 ATOM 7727 H HD13 . LEU E 1 112 ? -48.14645 -54.92584 11.73941 1.000 30.34356 ? 255 LEU M HD13 1 ATOM 7728 H HD21 . LEU E 1 112 ? -46.06290 -56.97912 11.77196 1.000 29.27344 ? 255 LEU M HD21 1 ATOM 7729 H HD22 . LEU E 1 112 ? -46.04574 -55.96504 12.99461 1.000 29.27344 ? 255 LEU M HD22 1 ATOM 7730 H HD23 . LEU E 1 112 ? -46.12053 -57.52930 13.26108 1.000 29.27344 ? 255 LEU M HD23 1 ATOM 7731 N N . THR E 1 113 ? -51.35602 -57.71396 12.86037 1.000 20.14481 ? 256 THR M N 1 ATOM 7732 C CA . THR E 1 113 ? -51.92239 -58.96681 12.40531 1.000 22.93149 ? 256 THR M CA 1 ATOM 7733 C C . THR E 1 113 ? -51.29691 -59.34374 11.07601 1.000 21.30813 ? 256 THR M C 1 ATOM 7734 O O . THR E 1 113 ? -51.15186 -58.49697 10.19260 1.000 21.27235 ? 256 THR M O 1 ATOM 7735 C CB . THR E 1 113 ? -53.43400 -58.82296 12.20059 1.000 24.56502 ? 256 THR M CB 1 ATOM 7736 O OG1 . THR E 1 113 ? -54.03347 -58.57452 13.46363 1.000 27.95579 ? 256 THR M OG1 1 ATOM 7737 C CG2 . THR E 1 113 ? -54.02704 -60.07751 11.57310 1.000 26.33921 ? 256 THR M CG2 1 ATOM 7738 H H . THR E 1 113 ? -51.61808 -57.03717 12.39898 1.000 24.17054 ? 256 THR M H 1 ATOM 7739 H HA . THR E 1 113 ? -51.74665 -59.66345 13.05702 1.000 27.51456 ? 256 THR M HA 1 ATOM 7740 H HB . THR E 1 113 ? -53.62169 -58.08917 11.59460 1.000 29.47480 ? 256 THR M HB 1 ATOM 7741 H HG1 . THR E 1 113 ? -54.81819 -58.87407 13.47309 1.000 33.54371 ? 256 THR M HG1 1 ATOM 7742 H HG21 . THR E 1 113 ? -54.99229 -60.07184 11.66882 1.000 31.60383 ? 256 THR M HG21 1 ATOM 7743 H HG22 . THR E 1 113 ? -53.80446 -60.11359 10.62967 1.000 31.60383 ? 256 THR M HG22 1 ATOM 7744 H HG23 . THR E 1 113 ? -53.67194 -60.86700 12.01073 1.000 31.60383 ? 256 THR M HG23 1 ATOM 7745 N N . VAL E 1 114 ? -50.94228 -60.61500 10.93771 1.000 21.27091 ? 257 VAL M N 1 ATOM 7746 C CA . VAL E 1 114 ? -50.45064 -61.15330 9.68404 1.000 21.71801 ? 257 VAL M CA 1 ATOM 7747 C C . VAL E 1 114 ? -51.61304 -61.89502 9.04141 1.000 21.61944 ? 257 VAL M C 1 ATOM 7748 O O . VAL E 1 114 ? -52.15213 -62.86334 9.60415 1.000 22.09001 ? 257 VAL M O 1 ATOM 7749 C CB . VAL E 1 114 ? -49.22610 -62.04593 9.89348 1.000 22.27948 ? 257 VAL M CB 1 ATOM 7750 C CG1 . VAL E 1 114 ? -48.74482 -62.58381 8.57548 1.000 23.68842 ? 257 VAL M CG1 1 ATOM 7751 C CG2 . VAL E 1 114 ? -48.11510 -61.21950 10.56104 1.000 22.79654 ? 257 VAL M CG2 1 ATOM 7752 H H . VAL E 1 114 ? -50.97968 -61.19492 11.57167 1.000 25.52186 ? 257 VAL M H 1 ATOM 7753 H HA . VAL E 1 114 ? -50.17557 -60.43852 9.08878 1.000 26.05838 ? 257 VAL M HA 1 ATOM 7754 H HB . VAL E 1 114 ? -49.45818 -62.79690 10.46188 1.000 26.73214 ? 257 VAL M HB 1 ATOM 7755 H HG11 . VAL E 1 114 ? -47.87752 -62.99944 8.70176 1.000 28.42288 ? 257 VAL M HG11 1 ATOM 7756 H HG12 . VAL E 1 114 ? -49.38160 -63.23937 8.25044 1.000 28.42288 ? 257 VAL M HG12 1 ATOM 7757 H HG13 . VAL E 1 114 ? -48.67190 -61.85174 7.94330 1.000 28.42288 ? 257 VAL M HG13 1 ATOM 7758 H HG21 . VAL E 1 114 ? -47.33324 -61.78076 10.68181 1.000 27.35261 ? 257 VAL M HG21 1 ATOM 7759 H HG22 . VAL E 1 114 ? -47.89635 -60.46575 9.99104 1.000 27.35261 ? 257 VAL M HG22 1 ATOM 7760 H HG23 . VAL E 1 114 ? -48.43098 -60.90267 11.42170 1.000 27.35261 ? 257 VAL M HG23 1 ATOM 7761 N N . LEU E 1 115 ? -52.02252 -61.39743 7.88184 1.000 20.38878 ? 258 LEU M N 1 ATOM 7762 C CA . LEU E 1 115 ? -53.21523 -61.89649 7.21689 1.000 20.74790 ? 258 LEU M CA 1 ATOM 7763 C C . LEU E 1 115 ? -53.01652 -63.32401 6.72280 1.000 21.62899 ? 258 LEU M C 1 ATOM 7764 O O . LEU E 1 115 ? -51.92732 -63.71376 6.28330 1.000 23.37639 ? 258 LEU M O 1 ATOM 7765 C CB . LEU E 1 115 ? -53.54010 -61.00174 6.03293 1.000 20.41213 ? 258 LEU M CB 1 ATOM 7766 C CG . LEU E 1 115 ? -53.92452 -59.56349 6.35268 1.000 20.74756 ? 258 LEU M CG 1 ATOM 7767 C CD1 . LEU E 1 115 ? -53.99509 -58.76264 5.07803 1.000 23.47887 ? 258 LEU M CD1 1 ATOM 7768 C CD2 . LEU E 1 115 ? -55.25368 -59.50453 7.08017 1.000 21.56145 ? 258 LEU M CD2 1 ATOM 7769 H H . LEU E 1 115 ? -51.62395 -60.76531 7.45619 1.000 24.46330 ? 258 LEU M H 1 ATOM 7770 H HA . LEU E 1 115 ? -53.95523 -61.89491 7.84403 1.000 24.89425 ? 258 LEU M HA 1 ATOM 7771 H HB2 . LEU E 1 115 ? -52.75859 -60.96699 5.45941 1.000 24.49133 ? 258 LEU M HB2 1 ATOM 7772 H HB3 . LEU E 1 115 ? -54.28575 -61.39622 5.55408 1.000 24.49133 ? 258 LEU M HB3 1 ATOM 7773 H HG . LEU E 1 115 ? -53.25167 -59.17703 6.93477 1.000 24.89384 ? 258 LEU M HG 1 ATOM 7774 H HD11 . LEU E 1 115 ? -54.19516 -57.83889 5.29611 1.000 28.17141 ? 258 LEU M HD11 1 ATOM 7775 H HD12 . LEU E 1 115 ? -53.14023 -58.81739 4.62293 1.000 28.17141 ? 258 LEU M HD12 1 ATOM 7776 H HD13 . LEU E 1 115 ? -54.69426 -59.12818 4.51371 1.000 28.17141 ? 258 LEU M HD13 1 ATOM 7777 H HD21 . LEU E 1 115 ? -55.52851 -58.57781 7.16119 1.000 25.87051 ? 258 LEU M HD21 1 ATOM 7778 H HD22 . LEU E 1 115 ? -55.91378 -60.00216 6.57270 1.000 25.87051 ? 258 LEU M HD22 1 ATOM 7779 H HD23 . LEU E 1 115 ? -55.14918 -59.89679 7.96114 1.000 25.87051 ? 258 LEU M HD23 1 ATOM 7780 N N . GLU E 1 116 ? -54.09744 -64.08642 6.76749 1.000 22.06276 ? 259 GLU M N 1 ATOM 7781 C CA . GLU E 1 116 ? -54.06739 -65.49464 6.43164 1.000 25.82757 ? 259 GLU M CA 1 ATOM 7782 C C . GLU E 1 116 ? -54.69867 -65.80145 5.08552 1.000 22.41889 ? 259 GLU M C 1 ATOM 7783 O O . GLU E 1 116 ? -54.68423 -66.96818 4.66620 1.000 22.39961 ? 259 GLU M O 1 ATOM 7784 C CB . GLU E 1 116 ? -54.92476 -66.27609 7.42472 1.000 32.28524 ? 259 GLU M CB 1 ATOM 7785 C CG . GLU E 1 116 ? -54.40763 -66.44605 8.78853 1.000 38.63952 ? 259 GLU M CG 1 ATOM 7786 C CD . GLU E 1 116 ? -55.16531 -67.57398 9.44435 1.000 46.50037 ? 259 GLU M CD 1 ATOM 7787 O OE1 . GLU E 1 116 ? -56.33935 -67.78938 9.04535 1.000 52.09356 ? 259 GLU M OE1 1 ATOM 7788 O OE2 . GLU E 1 116 ? -54.59700 -68.25220 10.31716 1.000 45.81889 -1 259 GLU M OE2 1 ATOM 7789 H H . GLU E 1 116 ? -54.87674 -63.80252 6.99484 1.000 26.47208 ? 259 GLU M H 1 ATOM 7790 H HA . GLU E 1 116 ? -53.13914 -65.77531 6.45322 1.000 30.98986 ? 259 GLU M HA 1 ATOM 7791 H HB2 . GLU E 1 116 ? -55.77664 -65.81909 7.50435 1.000 38.73906 ? 259 GLU M HB2 1 ATOM 7792 H HB3 . GLU E 1 116 ? -55.05842 -67.16658 7.06409 1.000 38.73906 ? 259 GLU M HB3 1 ATOM 7793 H HG2 . GLU E 1 116 ? -53.46403 -66.66919 8.76167 1.000 46.36420 ? 259 GLU M HG2 1 ATOM 7794 H HG3 . GLU E 1 116 ? -54.54174 -65.63253 9.29951 1.000 46.36420 ? 259 GLU M HG3 1 ATOM 7795 N N . ASN E 1 117 ? -55.31044 -64.81468 4.43983 1.000 19.77780 ? 260 ASN M N 1 ATOM 7796 C CA . ASN E 1 117 ? -56.07163 -65.05897 3.22749 1.000 20.38329 ? 260 ASN M CA 1 ATOM 7797 C C . ASN E 1 117 ? -55.16269 -64.89949 2.02412 1.000 21.74662 ? 260 ASN M C 1 ATOM 7798 O O . ASN E 1 117 ? -54.37222 -63.95486 1.95191 1.000 25.36537 ? 260 ASN M O 1 ATOM 7799 C CB . ASN E 1 117 ? -57.19741 -64.03072 3.13245 1.000 19.65912 ? 260 ASN M CB 1 ATOM 7800 C CG . ASN E 1 117 ? -56.68975 -62.60828 3.17989 1.000 22.18117 ? 260 ASN M CG 1 ATOM 7801 O OD1 . ASN E 1 117 ? -56.10686 -62.18226 4.19212 1.000 22.86165 ? 260 ASN M OD1 1 ATOM 7802 N ND2 . ASN E 1 117 ? -56.88423 -61.86871 2.10699 1.000 23.81963 ? 260 ASN M ND2 1 ATOM 7803 H H . ASN E 1 117 ? -55.29768 -63.99129 4.68777 1.000 23.73013 ? 260 ASN M H 1 ATOM 7804 H HA . ASN E 1 117 ? -56.44318 -65.95499 3.23125 1.000 24.45672 ? 260 ASN M HA 1 ATOM 7805 H HB2 . ASN E 1 117 ? -57.66891 -64.15386 2.29374 1.000 23.58771 ? 260 ASN M HB2 1 ATOM 7806 H HB3 . ASN E 1 117 ? -57.80608 -64.15771 3.87696 1.000 23.58771 ? 260 ASN M HB3 1 ATOM 7807 H HD21 . ASN E 1 117 ? -57.28431 -62.20129 1.42222 1.000 28.58033 ? 260 ASN M HD21 1 ATOM 7808 H HD22 . ASN E 1 117 ? -56.61109 -61.05339 2.09145 1.000 28.58033 ? 260 ASN M HD22 1 ATOM 7809 N N . LEU E 1 118 ? -55.30170 -65.81481 1.07130 1.000 22.16123 ? 261 LEU M N 1 ATOM 7810 C CA . LEU E 1 118 ? -54.53939 -65.72284 -0.16184 1.000 24.76328 ? 261 LEU M CA 1 ATOM 7811 C C . LEU E 1 118 ? -55.09604 -64.65287 -1.08918 1.000 23.28996 ? 261 LEU M C 1 ATOM 7812 O O . LEU E 1 118 ? -54.33420 -63.95721 -1.77137 1.000 26.25727 ? 261 LEU M O 1 ATOM 7813 C CB . LEU E 1 118 ? -54.58739 -67.06900 -0.88250 1.000 28.16831 ? 261 LEU M CB 1 ATOM 7814 C CG . LEU E 1 118 ? -53.51980 -68.10715 -0.57280 1.000 31.16065 ? 261 LEU M CG 1 ATOM 7815 C CD1 . LEU E 1 118 ? -53.83403 -69.32897 -1.43567 1.000 31.67782 ? 261 LEU M CD1 1 ATOM 7816 C CD2 . LEU E 1 118 ? -52.13916 -67.54698 -0.82527 1.000 32.58264 ? 261 LEU M CD2 1 ATOM 7817 H H . LEU E 1 118 ? -55.82773 -66.49373 1.11557 1.000 26.59024 ? 261 LEU M H 1 ATOM 7818 H HA . LEU E 1 118 ? -53.62134 -65.49864 0.05681 1.000 29.71270 ? 261 LEU M HA 1 ATOM 7819 H HB2 . LEU E 1 118 ? -55.44010 -67.48104 -0.67272 1.000 33.79874 ? 261 LEU M HB2 1 ATOM 7820 H HB3 . LEU E 1 118 ? -54.52991 -66.89159 -1.83440 1.000 33.79874 ? 261 LEU M HB3 1 ATOM 7821 H HG . LEU E 1 118 ? -53.51877 -68.36716 0.36171 1.000 37.38955 ? 261 LEU M HG 1 ATOM 7822 H HD11 . LEU E 1 118 ? -53.09405 -69.95365 -1.38001 1.000 38.01016 ? 261 LEU M HD11 1 ATOM 7823 H HD12 . LEU E 1 118 ? -54.64536 -69.74717 -1.10743 1.000 38.01016 ? 261 LEU M HD12 1 ATOM 7824 H HD13 . LEU E 1 118 ? -53.95747 -69.04342 -2.35444 1.000 38.01016 ? 261 LEU M HD13 1 ATOM 7825 H HD21 . LEU E 1 118 ? -51.50069 -68.27699 -0.84370 1.000 39.09594 ? 261 LEU M HD21 1 ATOM 7826 H HD22 . LEU E 1 118 ? -52.13716 -67.08419 -1.67774 1.000 39.09594 ? 261 LEU M HD22 1 ATOM 7827 H HD23 . LEU E 1 118 ? -51.91409 -66.92859 -0.11264 1.000 39.09594 ? 261 LEU M HD23 1 ATOM 7828 N N . TYR E 1 119 ? -56.41789 -64.53039 -1.14189 1.000 21.67516 ? 262 TYR M N 1 ATOM 7829 C CA . TYR E 1 119 ? -57.12282 -63.64304 -2.05527 1.000 22.13977 ? 262 TYR M CA 1 ATOM 7830 C C . TYR E 1 119 ? -57.97724 -62.63812 -1.27893 1.000 22.06755 ? 262 TYR M C 1 ATOM 7831 O O . TYR E 1 119 ? -58.38991 -62.88129 -0.13903 1.000 22.33193 ? 262 TYR M O 1 ATOM 7832 C CB . TYR E 1 119 ? -57.94467 -64.50170 -3.03599 1.000 24.15338 ? 262 TYR M CB 1 ATOM 7833 C CG . TYR E 1 119 ? -57.11287 -65.63859 -3.65230 1.000 24.64346 ? 262 TYR M CG 1 ATOM 7834 C CD1 . TYR E 1 119 ? -56.04932 -65.36560 -4.50909 1.000 26.86753 ? 262 TYR M CD1 1 ATOM 7835 C CD2 . TYR E 1 119 ? -57.38245 -66.97974 -3.35626 1.000 24.42440 ? 262 TYR M CD2 1 ATOM 7836 C CE1 . TYR E 1 119 ? -55.28169 -66.39077 -5.05883 1.000 26.91141 ? 262 TYR M CE1 1 ATOM 7837 C CE2 . TYR E 1 119 ? -56.61888 -68.00786 -3.90536 1.000 25.48806 ? 262 TYR M CE2 1 ATOM 7838 C CZ . TYR E 1 119 ? -55.57137 -67.69877 -4.75830 1.000 27.42765 ? 262 TYR M CZ 1 ATOM 7839 O OH . TYR E 1 119 ? -54.81275 -68.71157 -5.29959 1.000 29.55267 ? 262 TYR M OH 1 ATOM 7840 H H . TYR E 1 119 ? -56.95216 -64.97276 -0.63349 1.000 26.00696 ? 262 TYR M H 1 ATOM 7841 H HA . TYR E 1 119 ? -56.51282 -63.09374 -2.57206 1.000 26.56450 ? 262 TYR M HA 1 ATOM 7842 H HB2 . TYR E 1 119 ? -58.69294 -64.89704 -2.56195 1.000 28.98082 ? 262 TYR M HB2 1 ATOM 7843 H HB3 . TYR E 1 119 ? -58.26848 -63.93886 -3.75659 1.000 28.98082 ? 262 TYR M HB3 1 ATOM 7844 H HD1 . TYR E 1 119 ? -55.84748 -64.48223 -4.71841 1.000 32.23781 ? 262 TYR M HD1 1 ATOM 7845 H HD2 . TYR E 1 119 ? -58.08402 -67.18850 -2.78258 1.000 29.30605 ? 262 TYR M HD2 1 ATOM 7846 H HE1 . TYR E 1 119 ? -54.57452 -66.18923 -5.62820 1.000 32.29046 ? 262 TYR M HE1 1 ATOM 7847 H HE2 . TYR E 1 119 ? -56.81076 -68.89461 -3.70101 1.000 30.58244 ? 262 TYR M HE2 1 ATOM 7848 H HH . TYR E 1 119 ? -55.17777 -69.45377 -5.15295 1.000 35.45998 ? 262 TYR M HH 1 ATOM 7849 N N . PHE E 1 120 ? -58.19972 -61.48780 -1.90480 1.000 22.47198 ? 263 PHE M N 1 ATOM 7850 C CA . PHE E 1 120 ? -58.88980 -60.35818 -1.30302 1.000 24.16253 ? 263 PHE M CA 1 ATOM 7851 C C . PHE E 1 120 ? -60.20853 -60.08436 -2.01328 1.000 26.18801 ? 263 PHE M C 1 ATOM 7852 O O . PHE E 1 120 ? -60.36508 -60.38788 -3.19504 1.000 27.98988 ? 263 PHE M O 1 ATOM 7853 C CB . PHE E 1 120 ? -58.03993 -59.08601 -1.39388 1.000 23.74381 ? 263 PHE M CB 1 ATOM 7854 C CG . PHE E 1 120 ? -56.84743 -59.07179 -0.47514 1.000 23.50189 ? 263 PHE M CG 1 ATOM 7855 C CD1 . PHE E 1 120 ? -55.74207 -59.85196 -0.76591 1.000 25.57136 ? 263 PHE M CD1 1 ATOM 7856 C CD2 . PHE E 1 120 ? -56.83766 -58.28071 0.66814 1.000 24.37198 ? 263 PHE M CD2 1 ATOM 7857 C CE1 . PHE E 1 120 ? -54.64143 -59.84926 0.07964 1.000 25.68361 ? 263 PHE M CE1 1 ATOM 7858 C CE2 . PHE E 1 120 ? -55.73412 -58.28377 1.50572 1.000 25.35092 ? 263 PHE M CE2 1 ATOM 7859 C CZ . PHE E 1 120 ? -54.64820 -59.07363 1.20977 1.000 25.58008 ? 263 PHE M CZ 1 ATOM 7860 H H . PHE E 1 120 ? -57.94892 -61.33332 -2.71278 1.000 26.96314 ? 263 PHE M H 1 ATOM 7861 H HA . PHE E 1 120 ? -59.06885 -60.57185 -0.37394 1.000 28.99181 ? 263 PHE M HA 1 ATOM 7862 H HB2 . PHE E 1 120 ? -57.71206 -58.99655 -2.30240 1.000 28.48934 ? 263 PHE M HB2 1 ATOM 7863 H HB3 . PHE E 1 120 ? -58.59604 -58.32480 -1.16540 1.000 28.48934 ? 263 PHE M HB3 1 ATOM 7864 H HD1 . PHE E 1 120 ? -55.73669 -60.38036 -1.53119 1.000 30.68241 ? 263 PHE M HD1 1 ATOM 7865 H HD2 . PHE E 1 120 ? -57.57301 -57.74871 0.87095 1.000 29.24314 ? 263 PHE M HD2 1 ATOM 7866 H HE1 . PHE E 1 120 ? -53.89973 -60.37342 -0.12046 1.000 30.81710 ? 263 PHE M HE1 1 ATOM 7867 H HE2 . PHE E 1 120 ? -55.72779 -57.75149 2.26831 1.000 30.41787 ? 263 PHE M HE2 1 ATOM 7868 H HZ . PHE E 1 120 ? -53.91361 -59.08165 1.78004 1.000 30.69286 ? 263 PHE M HZ 1 ATOM 7869 N N . GLN E 1 121 ? -61.14630 -59.48737 -1.27755 1.000 27.23856 ? 264 GLN M N 1 ATOM 7870 C CA . GLN E 1 121 ? -62.35816 -58.91324 -1.87116 1.000 28.98479 ? 264 GLN M CA 1 ATOM 7871 C C . GLN E 1 121 ? -62.06400 -57.47851 -2.27520 1.000 32.54594 ? 264 GLN M C 1 ATOM 7872 O O . GLN E 1 121 ? -62.91225 -56.74734 -2.80423 1.000 34.02688 ? 264 GLN M O 1 ATOM 7873 C CB . GLN E 1 121 ? -63.50947 -58.91593 -0.87843 1.000 30.83857 ? 264 GLN M CB 1 ATOM 7874 C CG . GLN E 1 121 ? -64.17455 -60.25252 -0.76631 1.000 30.38619 ? 264 GLN M CG 1 ATOM 7875 C CD . GLN E 1 121 ? -63.80477 -61.02259 0.48630 1.000 29.15519 ? 264 GLN M CD 1 ATOM 7876 O OE1 . GLN E 1 121 ? -62.78301 -60.75888 1.15570 1.000 28.40497 ? 264 GLN M OE1 1 ATOM 7877 N NE2 . GLN E 1 121 ? -64.65288 -61.98159 0.82748 1.000 30.11148 ? 264 GLN M NE2 1 ATOM 7878 O OXT . GLN E 1 121 ? -60.95070 -57.01241 -2.04876 1.000 34.64491 -1 264 GLN M OXT 1 ATOM 7879 H H . GLN E 1 121 ? -61.10552 -59.40004 -0.42296 1.000 32.68304 ? 264 GLN M H 1 ATOM 7880 H HA . GLN E 1 121 ? -62.62923 -59.44016 -2.63913 1.000 34.77852 ? 264 GLN M HA 1 ATOM 7881 H HB2 . GLN E 1 121 ? -63.17112 -58.67433 -0.00204 1.000 37.00305 ? 264 GLN M HB2 1 ATOM 7882 H HB3 . GLN E 1 121 ? -64.17563 -58.27213 -1.16592 1.000 37.00305 ? 264 GLN M HB3 1 ATOM 7883 H HG2 . GLN E 1 121 ? -65.13573 -60.12227 -0.75904 1.000 36.46019 ? 264 GLN M HG2 1 ATOM 7884 H HG3 . GLN E 1 121 ? -63.91871 -60.79255 -1.53038 1.000 36.46019 ? 264 GLN M HG3 1 ATOM 7885 H HE21 . GLN E 1 121 ? -65.35209 -62.12768 0.34857 1.000 36.13054 ? 264 GLN M HE21 1 ATOM 7886 H HE22 . GLN E 1 121 ? -64.50417 -62.45800 1.52785 1.000 36.13054 ? 264 GLN M HE22 1 ATOM 7887 N N . GLN F 3 2 ? -11.24704 -61.41583 16.65754 1.000 84.36067 ? 1 GLN B N 1 ATOM 7888 C CA . GLN F 3 2 ? -9.84188 -61.87270 16.84919 1.000 72.10942 ? 1 GLN B CA 1 ATOM 7889 C C . GLN F 3 2 ? -9.04339 -61.67280 15.55907 1.000 57.21140 ? 1 GLN B C 1 ATOM 7890 O O . GLN F 3 2 ? -8.42821 -62.60556 15.04635 1.000 55.56280 ? 1 GLN B O 1 ATOM 7891 C CB . GLN F 3 2 ? -9.80587 -63.34482 17.26936 1.000 77.51727 ? 1 GLN B CB 1 ATOM 7892 C CG . GLN F 3 2 ? -8.40738 -63.84795 17.60040 1.000 81.76806 ? 1 GLN B CG 1 ATOM 7893 C CD . GLN F 3 2 ? -8.38939 -64.79089 18.78851 1.000 84.41089 ? 1 GLN B CD 1 ATOM 7894 O OE1 . GLN F 3 2 ? -9.07005 -64.56123 19.78968 1.000 85.45160 ? 1 GLN B OE1 1 ATOM 7895 N NE2 . GLN F 3 2 ? -7.60638 -65.85827 18.68502 1.000 87.74498 ? 1 GLN B NE2 1 ATOM 7896 H H . GLN F 3 2 ? -11.76307 -61.77009 17.29025 1.000 101.22957 ? 1 GLN B H 1 ATOM 7897 H HA . GLN F 3 2 ? -9.42561 -61.35508 17.55607 1.000 86.52808 ? 1 GLN B HA 1 ATOM 7898 H HB2 . GLN F 3 2 ? -10.35723 -63.45816 18.05933 1.000 93.01749 ? 1 GLN B HB2 1 ATOM 7899 H HB3 . GLN F 3 2 ? -10.15215 -63.88603 16.54266 1.000 93.01749 ? 1 GLN B HB3 1 ATOM 7900 H HG2 . GLN F 3 2 ? -8.05319 -64.32480 16.83355 1.000 98.11845 ? 1 GLN B HG2 1 ATOM 7901 H HG3 . GLN F 3 2 ? -7.84011 -63.08970 17.81056 1.000 98.11845 ? 1 GLN B HG3 1 ATOM 7902 H HE21 . GLN F 3 2 ? -7.14405 -65.98480 17.97099 1.000 105.29075 ? 1 GLN B HE21 1 ATOM 7903 H HE22 . GLN F 3 2 ? -7.56158 -66.42305 19.33203 1.000 105.29075 ? 1 GLN B HE22 1 ATOM 7904 N N . VAL F 3 3 ? -9.07540 -60.45333 15.03199 1.000 49.47116 ? 2 VAL B N 1 ATOM 7905 C CA . VAL F 3 3 ? -8.31896 -60.13328 13.83104 1.000 42.40460 ? 2 VAL B CA 1 ATOM 7906 C C . VAL F 3 3 ? -6.87178 -60.54547 14.07345 1.000 36.18041 ? 2 VAL B C 1 ATOM 7907 O O . VAL F 3 3 ? -6.39563 -60.59658 15.21199 1.000 36.14939 ? 2 VAL B O 1 ATOM 7908 C CB . VAL F 3 3 ? -8.46121 -58.64384 13.46233 1.000 45.90844 ? 2 VAL B CB 1 ATOM 7909 C CG1 . VAL F 3 3 ? -7.54352 -58.26438 12.30467 1.000 45.86335 ? 2 VAL B CG1 1 ATOM 7910 C CG2 . VAL F 3 3 ? -9.91996 -58.34354 13.08940 1.000 50.46716 ? 2 VAL B CG2 1 ATOM 7911 H H . VAL F 3 3 ? -9.52780 -59.79585 15.35239 1.000 59.36216 ? 2 VAL B H 1 ATOM 7912 H HA . VAL F 3 3 ? -8.65340 -60.63635 13.07212 1.000 50.88229 ? 2 VAL B HA 1 ATOM 7913 H HB . VAL F 3 3 ? -8.20338 -58.11025 14.23025 1.000 55.08690 ? 2 VAL B HB 1 ATOM 7914 H HG11 . VAL F 3 3 ? -7.73632 -57.35293 12.03452 1.000 55.03279 ? 2 VAL B HG11 1 ATOM 7915 H HG12 . VAL F 3 3 ? -6.62119 -58.33475 12.59667 1.000 55.03279 ? 2 VAL B HG12 1 ATOM 7916 H HG13 . VAL F 3 3 ? -7.70301 -58.86975 11.56374 1.000 55.03279 ? 2 VAL B HG13 1 ATOM 7917 H HG21 . VAL F 3 3 ? -10.00994 -57.39557 12.90460 1.000 60.55736 ? 2 VAL B HG21 1 ATOM 7918 H HG22 . VAL F 3 3 ? -10.15693 -58.85800 12.30195 1.000 60.55736 ? 2 VAL B HG22 1 ATOM 7919 H HG23 . VAL F 3 3 ? -10.49315 -58.59175 13.83151 1.000 60.55736 ? 2 VAL B HG23 1 ATOM 7920 N N . GLN F 3 4 ? -6.19212 -60.91865 13.01476 1.000 28.60215 ? 3 GLN B N 1 ATOM 7921 C CA . GLN F 3 4 ? -4.75534 -61.08725 13.01898 1.000 28.76176 ? 3 GLN B CA 1 ATOM 7922 C C . GLN F 3 4 ? -4.19372 -60.16023 11.95119 1.000 22.20114 ? 3 GLN B C 1 ATOM 7923 O O . GLN F 3 4 ? -4.88200 -59.80053 10.99597 1.000 21.26641 ? 3 GLN B O 1 ATOM 7924 C CB . GLN F 3 4 ? -4.35870 -62.50918 12.63489 1.000 37.83334 ? 3 GLN B CB 1 ATOM 7925 C CG . GLN F 3 4 ? -4.62814 -63.56118 13.68578 1.000 47.51795 ? 3 GLN B CG 1 ATOM 7926 C CD . GLN F 3 4 ? -3.71207 -64.75454 13.49365 1.000 59.87943 ? 3 GLN B CD 1 ATOM 7927 O OE1 . GLN F 3 4 ? -3.09300 -65.24251 14.43714 1.000 66.12085 ? 3 GLN B OE1 1 ATOM 7928 N NE2 . GLN F 3 4 ? -3.60605 -65.21560 12.25241 1.000 61.84443 ? 3 GLN B NE2 1 ATOM 7929 H H . GLN F 3 4 ? -6.55224 -61.08706 12.25217 1.000 34.31935 ? 3 GLN B H 1 ATOM 7930 H HA . GLN F 3 4 ? -4.39605 -60.88744 13.89755 1.000 34.51089 ? 3 GLN B HA 1 ATOM 7931 H HB2 . GLN F 3 4 ? -4.85420 -62.76064 11.83982 1.000 45.39678 ? 3 GLN B HB2 1 ATOM 7932 H HB3 . GLN F 3 4 ? -3.40653 -62.52169 12.45019 1.000 45.39678 ? 3 GLN B HB3 1 ATOM 7933 H HG2 . GLN F 3 4 ? -4.46863 -63.18788 14.56675 1.000 57.01832 ? 3 GLN B HG2 1 ATOM 7934 H HG3 . GLN F 3 4 ? -5.54735 -63.86266 13.61468 1.000 57.01832 ? 3 GLN B HG3 1 ATOM 7935 H HE21 . GLN F 3 4 ? -4.04350 -64.83892 11.61495 1.000 74.21008 ? 3 GLN B HE21 1 ATOM 7936 H HE22 . GLN F 3 4 ? -3.09996 -65.89077 12.08626 1.000 74.21008 ? 3 GLN B HE22 1 ATOM 7937 N N . LEU F 3 5 ? -2.94789 -59.75741 12.13271 1.000 20.23424 ? 4 LEU B N 1 ATOM 7938 C CA . LEU F 3 5 ? -2.17530 -59.04383 11.12329 1.000 18.25059 ? 4 LEU B CA 1 ATOM 7939 C C . LEU F 3 5 ? -1.00591 -59.94715 10.76803 1.000 18.95833 ? 4 LEU B C 1 ATOM 7940 O O . LEU F 3 5 ? -0.23667 -60.33159 11.65412 1.000 19.66776 ? 4 LEU B O 1 ATOM 7941 C CB . LEU F 3 5 ? -1.67714 -57.69788 11.63829 1.000 19.12668 ? 4 LEU B CB 1 ATOM 7942 C CG . LEU F 3 5 ? -2.76502 -56.71163 12.03496 1.000 18.88720 ? 4 LEU B CG 1 ATOM 7943 C CD1 . LEU F 3 5 ? -2.18738 -55.47459 12.66891 1.000 18.95603 ? 4 LEU B CD1 1 ATOM 7944 C CD2 . LEU F 3 5 ? -3.61212 -56.34764 10.80987 1.000 20.56303 ? 4 LEU B CD2 1 ATOM 7945 H H . LEU F 3 5 ? -2.50870 -59.88965 12.86019 1.000 24.27785 ? 4 LEU B H 1 ATOM 7946 H HA . LEU F 3 5 ? -2.71709 -58.86587 10.33863 1.000 21.89748 ? 4 LEU B HA 1 ATOM 7947 H HB2 . LEU F 3 5 ? -1.12799 -57.85525 12.42224 1.000 22.94879 ? 4 LEU B HB2 1 ATOM 7948 H HB3 . LEU F 3 5 ? -1.14767 -57.28104 10.94058 1.000 22.94879 ? 4 LEU B HB3 1 ATOM 7949 H HG . LEU F 3 5 ? -3.33722 -57.12927 12.69759 1.000 22.66142 ? 4 LEU B HG 1 ATOM 7950 H HD11 . LEU F 3 5 ? -2.90645 -54.95675 13.06347 1.000 22.74401 ? 4 LEU B HD11 1 ATOM 7951 H HD12 . LEU F 3 5 ? -1.55413 -55.73761 13.35499 1.000 22.74401 ? 4 LEU B HD12 1 ATOM 7952 H HD13 . LEU F 3 5 ? -1.73801 -54.95083 11.98727 1.000 22.74401 ? 4 LEU B HD13 1 ATOM 7953 H HD21 . LEU F 3 5 ? -3.93404 -55.43784 10.90753 1.000 24.67241 ? 4 LEU B HD21 1 ATOM 7954 H HD22 . LEU F 3 5 ? -3.06325 -56.42060 10.01343 1.000 24.67241 ? 4 LEU B HD22 1 ATOM 7955 H HD23 . LEU F 3 5 ? -4.36250 -56.95957 10.75166 1.000 24.67241 ? 4 LEU B HD23 1 ATOM 7956 N N . VAL F 3 6 ? -0.86388 -60.28065 9.48785 1.000 18.33055 ? 5 VAL B N 1 ATOM 7957 C CA . VAL F 3 6 ? 0.19095 -61.18230 9.03196 1.000 19.26552 ? 5 VAL B CA 1 ATOM 7958 C C . VAL F 3 6 ? 1.11039 -60.43099 8.07698 1.000 18.53029 ? 5 VAL B C 1 ATOM 7959 O O . VAL F 3 6 ? 0.66748 -59.94082 7.02896 1.000 18.32564 ? 5 VAL B O 1 ATOM 7960 C CB . VAL F 3 6 ? -0.38183 -62.43925 8.36569 1.000 20.41296 ? 5 VAL B CB 1 ATOM 7961 C CG1 . VAL F 3 6 ? 0.75983 -63.28774 7.81858 1.000 23.36909 ? 5 VAL B CG1 1 ATOM 7962 C CG2 . VAL F 3 6 ? -1.22459 -63.24494 9.34224 1.000 23.01369 ? 5 VAL B CG2 1 ATOM 7963 H H . VAL F 3 6 ? -1.37304 -59.99349 8.85706 1.000 21.99343 ? 5 VAL B H 1 ATOM 7964 H HA . VAL F 3 6 ? 0.72126 -61.44956 9.79893 1.000 23.11539 ? 5 VAL B HA 1 ATOM 7965 H HB . VAL F 3 6 ? -0.96135 -62.17406 7.63443 1.000 24.49233 ? 5 VAL B HB 1 ATOM 7966 H HG11 . VAL F 3 6 ? 0.47152 -64.21272 7.77178 1.000 28.03968 ? 5 VAL B HG11 1 ATOM 7967 H HG12 . VAL F 3 6 ? 0.99383 -62.96899 6.93283 1.000 28.03968 ? 5 VAL B HG12 1 ATOM 7968 H HG13 . VAL F 3 6 ? 1.52385 -63.20898 8.41101 1.000 28.03968 ? 5 VAL B HG13 1 ATOM 7969 H HG21 . VAL F 3 6 ? -1.51674 -64.06169 8.90810 1.000 27.61319 ? 5 VAL B HG21 1 ATOM 7970 H HG22 . VAL F 3 6 ? -0.68766 -63.45831 10.12140 1.000 27.61319 ? 5 VAL B HG22 1 ATOM 7971 H HG23 . VAL F 3 6 ? -1.99436 -62.71672 9.60556 1.000 27.61319 ? 5 VAL B HG23 1 ATOM 7972 N N . GLN F 3 7 ? 2.39535 -60.38371 8.41791 1.000 18.57488 ? 6 GLN B N 1 ATOM 7973 C CA . GLN F 3 7 ? 3.38546 -59.60113 7.69619 1.000 17.20311 ? 6 GLN B CA 1 ATOM 7974 C C . GLN F 3 7 ? 4.21436 -60.47623 6.75326 1.000 17.10437 ? 6 GLN B C 1 ATOM 7975 O O . GLN F 3 7 ? 4.30901 -61.70680 6.88902 1.000 17.69522 ? 6 GLN B O 1 ATOM 7976 C CB . GLN F 3 7 ? 4.33396 -58.90058 8.67727 1.000 17.36784 ? 6 GLN B CB 1 ATOM 7977 C CG . GLN F 3 7 ? 3.61322 -58.00285 9.65692 1.000 16.50453 ? 6 GLN B CG 1 ATOM 7978 C CD . GLN F 3 7 ? 4.53606 -57.26993 10.60550 1.000 16.18486 ? 6 GLN B CD 1 ATOM 7979 O OE1 . GLN F 3 7 ? 4.17776 -57.01516 11.75261 1.000 17.34846 ? 6 GLN B OE1 1 ATOM 7980 N NE2 . GLN F 3 7 ? 5.72282 -56.89820 10.13310 1.000 18.79599 ? 6 GLN B NE2 1 ATOM 7981 H H . GLN F 3 7 ? 2.72562 -60.81197 9.08658 1.000 22.28663 ? 6 GLN B H 1 ATOM 7982 H HA . GLN F 3 7 ? 2.91924 -58.93703 7.16466 1.000 20.64050 ? 6 GLN B HA 1 ATOM 7983 H HB2 . GLN F 3 7 ? 4.81432 -59.57309 9.18509 1.000 20.83817 ? 6 GLN B HB2 1 ATOM 7984 H HB3 . GLN F 3 7 ? 4.95910 -58.35472 8.17513 1.000 20.83817 ? 6 GLN B HB3 1 ATOM 7985 H HG2 . GLN F 3 7 ? 3.11134 -57.33793 9.16004 1.000 19.80220 ? 6 GLN B HG2 1 ATOM 7986 H HG3 . GLN F 3 7 ? 3.00991 -58.54363 10.19029 1.000 19.80220 ? 6 GLN B HG3 1 ATOM 7987 H HE21 . GLN F 3 7 ? 5.93694 -57.07679 9.31956 1.000 22.55196 ? 6 GLN B HE21 1 ATOM 7988 H HE22 . GLN F 3 7 ? 6.27590 -56.47930 10.64127 1.000 22.55196 ? 6 GLN B HE22 1 ATOM 7989 N N . SER F 3 8 ? 4.82427 -59.81168 5.78142 1.000 17.57240 ? 7 SER B N 1 ATOM 7990 C CA . SER F 3 8 ? 5.76718 -60.45941 4.88721 1.000 18.30412 ? 7 SER B CA 1 ATOM 7991 C C . SER F 3 8 ? 7.05033 -60.83952 5.61466 1.000 19.17517 ? 7 SER B C 1 ATOM 7992 O O . SER F 3 8 ? 7.28911 -60.46810 6.77102 1.000 18.74419 ? 7 SER B O 1 ATOM 7993 C CB . SER F 3 8 ? 6.04902 -59.56901 3.67370 1.000 18.48763 ? 7 SER B CB 1 ATOM 7994 O OG . SER F 3 8 ? 6.35004 -58.24839 4.04924 1.000 18.95183 ? 7 SER B OG 1 ATOM 7995 H H . SER F 3 8 ? 4.70730 -58.97551 5.61791 1.000 21.08365 ? 7 SER B H 1 ATOM 7996 H HA . SER F 3 8 ? 5.37889 -61.28615 4.56064 1.000 21.96172 ? 7 SER B HA 1 ATOM 7997 H HB2 . SER F 3 8 ? 6.80507 -59.93459 3.18827 1.000 22.18193 ? 7 SER B HB2 1 ATOM 7998 H HB3 . SER F 3 8 ? 5.26304 -59.55952 3.10533 1.000 22.18193 ? 7 SER B HB3 1 ATOM 7999 H HG . SER F 3 8 ? 6.96928 -58.24515 4.61679 1.000 22.73896 ? 7 SER B HG 1 ATOM 8000 N N . GLY F 3 9 ? 7.86548 -61.63440 4.91674 1.000 19.21040 ? 8 GLY B N 1 ATOM 8001 C CA . GLY F 3 9 ? 9.02124 -62.25669 5.51734 1.000 19.63175 ? 8 GLY B CA 1 ATOM 8002 C C . GLY F 3 9 ? 10.26534 -61.39011 5.55851 1.000 19.89626 ? 8 GLY B C 1 ATOM 8003 O O . GLY F 3 9 ? 10.36797 -60.33381 4.92891 1.000 19.64696 ? 8 GLY B O 1 ATOM 8004 H H . GLY F 3 9 ? 7.76115 -61.82513 4.08467 1.000 23.04925 ? 8 GLY B H 1 ATOM 8005 H HA2 . GLY F 3 9 ? 8.80296 -62.50256 6.42992 1.000 23.55487 ? 8 GLY B HA2 1 ATOM 8006 H HA3 . GLY F 3 9 ? 9.23742 -63.05918 5.01717 1.000 23.55487 ? 8 GLY B HA3 1 ATOM 8007 N N . ALA F 3 10 ? 11.24477 -61.89775 6.30387 1.000 19.37804 ? 9 ALA B N 1 ATOM 8008 C CA . ALA F 3 10 ? 12.50343 -61.19386 6.49529 1.000 18.80975 ? 9 ALA B CA 1 ATOM 8009 C C . ALA F 3 10 ? 13.21727 -60.93586 5.17093 1.000 19.75772 ? 9 ALA B C 1 ATOM 8010 O O . ALA F 3 10 ? 13.13928 -61.72814 4.23011 1.000 21.32319 ? 9 ALA B O 1 ATOM 8011 C CB . ALA F 3 10 ? 13.41264 -62.03680 7.39500 1.000 19.14931 ? 9 ALA B CB 1 ATOM 8012 H H . ALA F 3 10 ? 11.20300 -62.65382 6.71158 1.000 23.25042 ? 9 ALA B H 1 ATOM 8013 H HA . ALA F 3 10 ? 12.32647 -60.33338 6.90657 1.000 22.56847 ? 9 ALA B HA 1 ATOM 8014 H HB1 . ALA F 3 10 ? 14.26042 -61.57854 7.50530 1.000 22.97594 ? 9 ALA B HB1 1 ATOM 8015 H HB2 . ALA F 3 10 ? 12.98425 -62.15206 8.25762 1.000 22.97594 ? 9 ALA B HB2 1 ATOM 8016 H HB3 . ALA F 3 10 ? 13.55554 -62.90110 6.97853 1.000 22.97594 ? 9 ALA B HB3 1 ATOM 8017 N N . GLU F 3 11 ? 13.96739 -59.83679 5.13278 1.000 18.96157 ? 10 GLU B N 1 ATOM 8018 C CA . GLU F 3 11 ? 14.72513 -59.43601 3.96152 1.000 20.23765 ? 10 GLU B CA 1 ATOM 8019 C C . GLU F 3 11 ? 16.09331 -58.92331 4.36598 1.000 19.29295 ? 10 GLU B C 1 ATOM 8020 O O . GLU F 3 11 ? 16.28059 -58.36780 5.45669 1.000 20.19507 ? 10 GLU B O 1 ATOM 8021 C CB . GLU F 3 11 ? 13.98375 -58.37133 3.16986 1.000 23.46982 ? 10 GLU B CB 1 ATOM 8022 C CG . GLU F 3 11 ? 12.58293 -58.77645 2.80658 1.000 28.87612 ? 10 GLU B CG 1 ATOM 8023 C CD . GLU F 3 11 ? 12.01668 -57.92022 1.72594 1.000 36.38645 ? 10 GLU B CD 1 ATOM 8024 O OE1 . GLU F 3 11 ? 10.78234 -57.70241 1.73575 1.000 35.68654 ? 10 GLU B OE1 1 ATOM 8025 O OE2 . GLU F 3 11 ? 12.79983 -57.46447 0.87100 1.000 32.93986 -1 10 GLU B OE2 1 ATOM 8026 H H . GLU F 3 11 ? 14.05300 -59.29418 5.79448 1.000 22.75065 ? 10 GLU B H 1 ATOM 8027 H HA . GLU F 3 11 ? 14.86616 -60.20961 3.39359 1.000 24.28194 ? 10 GLU B HA 1 ATOM 8028 H HB2 . GLU F 3 11 ? 13.93250 -57.56217 3.70235 1.000 28.16055 ? 10 GLU B HB2 1 ATOM 8029 H HB3 . GLU F 3 11 ? 14.46753 -58.19712 2.34736 1.000 28.16055 ? 10 GLU B HB3 1 ATOM 8030 H HG2 . GLU F 3 11 ? 12.58719 -59.69494 2.49473 1.000 34.64811 ? 10 GLU B HG2 1 ATOM 8031 H HG3 . GLU F 3 11 ? 12.01420 -58.69405 3.58802 1.000 34.64811 ? 10 GLU B HG3 1 ATOM 8032 N N . VAL F 3 12 ? 17.04897 -59.11360 3.46031 1.000 19.01436 ? 11 VAL B N 1 ATOM 8033 C CA . VAL F 3 12 ? 18.39914 -58.58250 3.60120 1.000 17.84334 ? 11 VAL B CA 1 ATOM 8034 C C . VAL F 3 12 ? 18.64341 -57.67785 2.41213 1.000 18.58678 ? 11 VAL B C 1 ATOM 8035 O O . VAL F 3 12 ? 18.40896 -58.08074 1.26608 1.000 20.81820 ? 11 VAL B O 1 ATOM 8036 C CB . VAL F 3 12 ? 19.46375 -59.68896 3.68635 1.000 19.20572 ? 11 VAL B CB 1 ATOM 8037 C CG1 . VAL F 3 12 ? 20.81875 -59.10763 4.05453 1.000 21.41903 ? 11 VAL B CG1 1 ATOM 8038 C CG2 . VAL F 3 12 ? 19.06348 -60.75197 4.70877 1.000 20.76383 ? 11 VAL B CG2 1 ATOM 8039 H H . VAL F 3 12 ? 16.93407 -59.56068 2.73469 1.000 22.81401 ? 11 VAL B H 1 ATOM 8040 H HA . VAL F 3 12 ? 18.46327 -58.06438 4.41872 1.000 21.40878 ? 11 VAL B HA 1 ATOM 8041 H HB . VAL F 3 12 ? 19.53236 -60.10824 2.81435 1.000 23.04363 ? 11 VAL B HB 1 ATOM 8042 H HG11 . VAL F 3 12 ? 21.47357 -59.82288 4.07744 1.000 25.69961 ? 11 VAL B HG11 1 ATOM 8043 H HG12 . VAL F 3 12 ? 21.07136 -58.44910 3.38862 1.000 25.69961 ? 11 VAL B HG12 1 ATOM 8044 H HG13 . VAL F 3 12 ? 20.75605 -58.68850 4.92706 1.000 25.69961 ? 11 VAL B HG13 1 ATOM 8045 H HG21 . VAL F 3 12 ? 19.77750 -61.40443 4.78198 1.000 24.91337 ? 11 VAL B HG21 1 ATOM 8046 H HG22 . VAL F 3 12 ? 18.91631 -60.32494 5.56719 1.000 24.91337 ? 11 VAL B HG22 1 ATOM 8047 H HG23 . VAL F 3 12 ? 18.24847 -61.18553 4.41096 1.000 24.91337 ? 11 VAL B HG23 1 ATOM 8048 N N . LYS F 3 13 ? 19.11691 -56.47150 2.67879 1.000 17.85818 ? 12 LYS B N 1 ATOM 8049 C CA . LYS F 3 13 ? 19.14510 -55.40926 1.68807 1.000 18.43867 ? 12 LYS B CA 1 ATOM 8050 C C . LYS F 3 13 ? 20.49643 -54.71910 1.67560 1.000 19.59189 ? 12 LYS B C 1 ATOM 8051 O O . LYS F 3 13 ? 21.18457 -54.63080 2.70527 1.000 20.35846 ? 12 LYS B O 1 ATOM 8052 C CB . LYS F 3 13 ? 18.08012 -54.33911 2.02297 1.000 20.12427 ? 12 LYS B CB 1 ATOM 8053 C CG . LYS F 3 13 ? 16.65042 -54.84691 2.10006 1.000 21.03385 ? 12 LYS B CG 1 ATOM 8054 C CD . LYS F 3 13 ? 16.14511 -55.32858 0.76850 1.000 24.31284 ? 12 LYS B CD 1 ATOM 8055 C CE . LYS F 3 13 ? 16.04292 -54.19815 -0.18574 1.000 26.68947 ? 12 LYS B CE 1 ATOM 8056 N NZ . LYS F 3 13 ? 15.14127 -54.62317 -1.32045 1.000 31.28756 ? 12 LYS B NZ 1 ATOM 8057 H H . LYS F 3 13 ? 19.43446 -56.23882 3.44340 1.000 21.42658 ? 12 LYS B H 1 ATOM 8058 H HA . LYS F 3 13 ? 18.98773 -55.79482 0.81201 1.000 22.12318 ? 12 LYS B HA 1 ATOM 8059 H HB2 . LYS F 3 13 ? 18.29661 -53.95186 2.88556 1.000 24.14589 ? 12 LYS B HB2 1 ATOM 8060 H HB3 . LYS F 3 13 ? 18.10760 -53.65498 1.33587 1.000 24.14589 ? 12 LYS B HB3 1 ATOM 8061 H HG2 . LYS F 3 13 ? 16.60888 -55.58796 2.72457 1.000 25.23739 ? 12 LYS B HG2 1 ATOM 8062 H HG3 . LYS F 3 13 ? 16.07270 -54.12767 2.39980 1.000 25.23739 ? 12 LYS B HG3 1 ATOM 8063 H HD2 . LYS F 3 13 ? 16.75970 -55.98536 0.40543 1.000 29.17218 ? 12 LYS B HD2 1 ATOM 8064 H HD3 . LYS F 3 13 ? 15.26524 -55.72212 0.87733 1.000 29.17218 ? 12 LYS B HD3 1 ATOM 8065 H HE2 . LYS F 3 13 ? 15.65922 -53.42335 0.25399 1.000 32.02413 ? 12 LYS B HE2 1 ATOM 8066 H HE3 . LYS F 3 13 ? 16.91925 -53.97895 -0.53913 1.000 32.02413 ? 12 LYS B HE3 1 ATOM 8067 H HZ1 . LYS F 3 13 ? 14.97924 -53.93112 -1.85608 1.000 37.54184 ? 12 LYS B HZ1 1 ATOM 8068 H HZ2 . LYS F 3 13 ? 15.53052 -55.26919 -1.79294 1.000 37.54184 ? 12 LYS B HZ2 1 ATOM 8069 H HZ3 . LYS F 3 13 ? 14.36890 -54.92619 -0.99838 1.000 37.54184 ? 12 LYS B HZ3 1 ATOM 8070 N N . LYS F 3 14 ? 20.86733 -54.21179 0.48821 1.000 20.69479 ? 13 LYS B N 1 ATOM 8071 C CA . LYS F 3 14 ? 22.07602 -53.41521 0.35999 1.000 21.78879 ? 13 LYS B CA 1 ATOM 8072 C C . LYS F 3 14 ? 21.78557 -51.95899 0.71521 1.000 20.64771 ? 13 LYS B C 1 ATOM 8073 O O . LYS F 3 14 ? 20.65004 -51.48730 0.58393 1.000 21.56177 ? 13 LYS B O 1 ATOM 8074 C CB . LYS F 3 14 ? 22.56555 -53.51166 -1.08488 1.000 25.75389 ? 13 LYS B CB 1 ATOM 8075 C CG . LYS F 3 14 ? 23.02937 -54.88832 -1.45027 1.000 30.06750 ? 13 LYS B CG 1 ATOM 8076 C CD . LYS F 3 14 ? 24.46368 -55.06892 -0.97410 1.000 37.12580 ? 13 LYS B CD 1 ATOM 8077 C CE . LYS F 3 14 ? 25.14374 -56.26216 -1.60908 1.000 42.88845 ? 13 LYS B CE 1 ATOM 8078 N NZ . LYS F 3 14 ? 26.58089 -56.30611 -1.21606 1.000 50.23865 ? 13 LYS B NZ 1 ATOM 8079 H H . LYS F 3 14 ? 20.43291 -54.31940 -0.24616 1.000 24.83052 ? 13 LYS B H 1 ATOM 8080 H HA . LYS F 3 14 ? 22.76992 -53.73864 0.95564 1.000 26.14332 ? 13 LYS B HA 1 ATOM 8081 H HB2 . LYS F 3 14 ? 21.83880 -53.27174 -1.68085 1.000 30.90144 ? 13 LYS B HB2 1 ATOM 8082 H HB3 . LYS F 3 14 ? 23.30991 -52.90183 -1.20712 1.000 30.90144 ? 13 LYS B HB3 1 ATOM 8083 H HG2 . LYS F 3 14 ? 22.46800 -55.55191 -1.01968 1.000 36.07777 ? 13 LYS B HG2 1 ATOM 8084 H HG3 . LYS F 3 14 ? 22.99969 -55.00296 -2.41301 1.000 36.07777 ? 13 LYS B HG3 1 ATOM 8085 H HD2 . LYS F 3 14 ? 24.97496 -54.27652 -1.20122 1.000 44.54773 ? 13 LYS B HD2 1 ATOM 8086 H HD3 . LYS F 3 14 ? 24.46422 -55.19991 -0.01299 1.000 44.54773 ? 13 LYS B HD3 1 ATOM 8087 H HE2 . LYS F 3 14 ? 24.71501 -57.07913 -1.30965 1.000 51.46291 ? 13 LYS B HE2 1 ATOM 8088 H HE3 . LYS F 3 14 ? 25.08814 -56.19311 -2.57502 1.000 51.46291 ? 13 LYS B HE3 1 ATOM 8089 H HZ1 . LYS F 3 14 ? 26.96641 -57.03419 -1.55277 1.000 60.28315 ? 13 LYS B HZ1 1 ATOM 8090 H HZ2 . LYS F 3 14 ? 27.00321 -55.58636 -1.52542 1.000 60.28315 ? 13 LYS B HZ2 1 ATOM 8091 H HZ3 . LYS F 3 14 ? 26.65351 -56.32471 -0.32922 1.000 60.28315 ? 13 LYS B HZ3 1 ATOM 8092 N N . PRO F 3 15 ? 22.80248 -51.22245 1.16061 1.000 22.85794 ? 14 PRO B N 1 ATOM 8093 C CA . PRO F 3 15 ? 22.59794 -49.80731 1.48163 1.000 22.62459 ? 14 PRO B CA 1 ATOM 8094 C C . PRO F 3 15 ? 22.10758 -49.04455 0.26972 1.000 23.55404 ? 14 PRO B C 1 ATOM 8095 O O . PRO F 3 15 ? 22.54619 -49.28814 -0.85605 1.000 24.24300 ? 14 PRO B O 1 ATOM 8096 C CB . PRO F 3 15 ? 23.98971 -49.33008 1.92650 1.000 26.03864 ? 14 PRO B CB 1 ATOM 8097 C CG . PRO F 3 15 ? 24.93614 -50.31397 1.34860 1.000 25.34570 ? 14 PRO B CG 1 ATOM 8098 C CD . PRO F 3 15 ? 24.21100 -51.62918 1.32872 1.000 24.76954 ? 14 PRO B CD 1 ATOM 8099 H HA . PRO F 3 15 ? 21.97170 -49.70522 2.21532 1.000 27.14627 ? 14 PRO B HA 1 ATOM 8100 H HB2 . PRO F 3 15 ? 24.15977 -48.44013 1.58014 1.000 31.24314 ? 14 PRO B HB2 1 ATOM 8101 H HB3 . PRO F 3 15 ? 24.04286 -49.32490 2.89502 1.000 31.24314 ? 14 PRO B HB3 1 ATOM 8102 H HG2 . PRO F 3 15 ? 25.17910 -50.04324 0.44939 1.000 30.41161 ? 14 PRO B HG2 1 ATOM 8103 H HG3 . PRO F 3 15 ? 25.72929 -50.36858 1.90433 1.000 30.41161 ? 14 PRO B HG3 1 ATOM 8104 H HD2 . PRO F 3 15 ? 24.50549 -52.17685 0.58425 1.000 29.72021 ? 14 PRO B HD2 1 ATOM 8105 H HD3 . PRO F 3 15 ? 24.33701 -52.10781 2.16294 1.000 29.72021 ? 14 PRO B HD3 1 ATOM 8106 N N . GLY F 3 16 ? 21.20636 -48.10191 0.52152 1.000 22.21132 ? 15 GLY B N 1 ATOM 8107 C CA . GLY F 3 16 ? 20.62932 -47.28265 -0.52284 1.000 21.11234 ? 15 GLY B CA 1 ATOM 8108 C C . GLY F 3 16 ? 19.40707 -47.87304 -1.18793 1.000 21.09320 ? 15 GLY B C 1 ATOM 8109 O O . GLY F 3 16 ? 18.71713 -47.15975 -1.91634 1.000 24.12370 ? 15 GLY B O 1 ATOM 8110 H H . GLY F 3 16 ? 20.91009 -47.91785 1.30761 1.000 26.65035 ? 15 GLY B H 1 ATOM 8111 H HA2 . GLY F 3 16 ? 20.37553 -46.42718 -0.14249 1.000 25.33158 ? 15 GLY B HA2 1 ATOM 8112 H HA3 . GLY F 3 16 ? 21.29888 -47.13685 -1.20938 1.000 25.33158 ? 15 GLY B HA3 1 ATOM 8113 N N . SER F 3 17 ? 19.12475 -49.14859 -0.96450 1.000 20.79406 ? 16 SER B N 1 ATOM 8114 C CA . SER F 3 17 ? 17.96524 -49.79771 -1.54063 1.000 21.44848 ? 16 SER B CA 1 ATOM 8115 C C . SER F 3 17 ? 16.72168 -49.44760 -0.73211 1.000 21.08407 ? 16 SER B C 1 ATOM 8116 O O . SER F 3 17 ? 16.77885 -48.70146 0.25124 1.000 20.41990 ? 16 SER B O 1 ATOM 8117 C CB . SER F 3 17 ? 18.16867 -51.30303 -1.58866 1.000 23.14842 ? 16 SER B CB 1 ATOM 8118 O OG . SER F 3 17 ? 18.20694 -51.81739 -0.28352 1.000 25.00466 ? 16 SER B OG 1 ATOM 8119 H H . SER F 3 17 ? 19.60115 -49.66817 -0.47188 1.000 24.94964 ? 16 SER B H 1 ATOM 8120 H HA . SER F 3 17 ? 17.84932 -49.47748 -2.44888 1.000 25.73494 ? 16 SER B HA 1 ATOM 8121 H HB2 . SER F 3 17 ? 17.43290 -51.71038 -2.07198 1.000 27.77487 ? 16 SER B HB2 1 ATOM 8122 H HB3 . SER F 3 17 ? 19.00746 -51.49878 -2.03476 1.000 27.77487 ? 16 SER B HB3 1 ATOM 8123 H HG . SER F 3 17 ? 18.49121 -52.60775 -0.29443 1.000 30.00236 ? 16 SER B HG 1 ATOM 8124 N N . SER F 3 18 ? 15.58385 -50.00425 -1.14966 1.000 21.07822 ? 17 SER B N 1 ATOM 8125 C CA . SER F 3 18 ? 14.33106 -49.81106 -0.44279 1.000 21.58960 ? 17 SER B CA 1 ATOM 8126 C C . SER F 3 18 ? 13.73218 -51.16175 -0.10888 1.000 20.68092 ? 17 SER B C 1 ATOM 8127 O O . SER F 3 18 ? 14.00153 -52.16715 -0.78013 1.000 22.60282 ? 17 SER B O 1 ATOM 8128 C CB . SER F 3 18 ? 13.28020 -49.09387 -1.28552 1.000 24.31300 ? 17 SER B CB 1 ATOM 8129 O OG . SER F 3 18 ? 13.74286 -47.83598 -1.68089 1.000 26.34430 ? 17 SER B OG 1 ATOM 8130 H H . SER F 3 18 ? 15.51801 -50.50213 -1.84779 1.000 25.29063 ? 17 SER B H 1 ATOM 8131 H HA . SER F 3 18 ? 14.52783 -49.29662 0.35567 1.000 25.90430 ? 17 SER B HA 1 ATOM 8132 H HB2 . SER F 3 18 ? 13.09116 -49.62453 -2.07518 1.000 29.17237 ? 17 SER B HB2 1 ATOM 8133 H HB3 . SER F 3 18 ? 12.47309 -48.98351 -0.75894 1.000 29.17237 ? 17 SER B HB3 1 ATOM 8134 H HG . SER F 3 18 ? 13.22108 -47.50348 -2.24903 1.000 31.60993 ? 17 SER B HG 1 ATOM 8135 N N . VAL F 3 19 ? 12.88625 -51.16803 0.92392 1.000 19.26238 ? 18 VAL B N 1 ATOM 8136 C CA . VAL F 3 19 ? 12.14291 -52.35278 1.29985 1.000 19.63788 ? 18 VAL B CA 1 ATOM 8137 C C . VAL F 3 19 ? 10.68232 -51.95603 1.43404 1.000 18.02956 ? 18 VAL B C 1 ATOM 8138 O O . VAL F 3 19 ? 10.37127 -50.83419 1.85371 1.000 19.53035 ? 18 VAL B O 1 ATOM 8139 C CB . VAL F 3 19 ? 12.67394 -52.94591 2.61472 1.000 21.17941 ? 18 VAL B CB 1 ATOM 8140 C CG1 . VAL F 3 19 ? 12.39842 -52.01050 3.78505 1.000 21.58396 ? 18 VAL B CG1 1 ATOM 8141 C CG2 . VAL F 3 19 ? 12.07629 -54.31428 2.85033 1.000 22.04225 ? 18 VAL B CG2 1 ATOM 8142 H H . VAL F 3 19 ? 12.73025 -50.48510 1.42278 1.000 23.11162 ? 18 VAL B H 1 ATOM 8143 H HA . VAL F 3 19 ? 12.21804 -53.03127 0.61072 1.000 23.56223 ? 18 VAL B HA 1 ATOM 8144 H HB . VAL F 3 19 ? 13.63640 -53.04731 2.54925 1.000 25.41206 ? 18 VAL B HB 1 ATOM 8145 H HG11 . VAL F 3 19 ? 12.91318 -52.30495 4.55265 1.000 25.89752 ? 18 VAL B HG11 1 ATOM 8146 H HG12 . VAL F 3 19 ? 12.65946 -51.10967 3.53755 1.000 25.89752 ? 18 VAL B HG12 1 ATOM 8147 H HG13 . VAL F 3 19 ? 11.45124 -52.03512 3.99279 1.000 25.89752 ? 18 VAL B HG13 1 ATOM 8148 H HG21 . VAL F 3 19 ? 12.40523 -54.66151 3.69421 1.000 26.44747 ? 18 VAL B HG21 1 ATOM 8149 H HG22 . VAL F 3 19 ? 11.10987 -54.23613 2.87897 1.000 26.44747 ? 18 VAL B HG22 1 ATOM 8150 H HG23 . VAL F 3 19 ? 12.33923 -54.90280 2.12548 1.000 26.44747 ? 18 VAL B HG23 1 ATOM 8151 N N . LYS F 3 20 ? 9.78355 -52.86452 1.04091 1.000 18.29824 ? 19 LYS B N 1 ATOM 8152 C CA . LYS F 3 20 ? 8.34482 -52.66888 1.19929 1.000 17.78626 ? 19 LYS B CA 1 ATOM 8153 C C . LYS F 3 20 ? 7.78144 -53.86808 1.94435 1.000 18.07373 ? 19 LYS B C 1 ATOM 8154 O O . LYS F 3 20 ? 7.70397 -54.97537 1.39560 1.000 21.01985 ? 19 LYS B O 1 ATOM 8155 C CB . LYS F 3 20 ? 7.63611 -52.46906 -0.13930 1.000 18.82009 ? 19 LYS B CB 1 ATOM 8156 C CG . LYS F 3 20 ? 6.21791 -51.96462 0.03101 1.000 20.26343 ? 19 LYS B CG 1 ATOM 8157 C CD . LYS F 3 20 ? 5.60497 -51.55720 -1.29108 1.000 21.43135 ? 19 LYS B CD 1 ATOM 8158 C CE . LYS F 3 20 ? 4.23275 -50.97068 -1.07867 1.000 22.55006 ? 19 LYS B CE 1 ATOM 8159 N NZ . LYS F 3 20 ? 3.61359 -50.61239 -2.38635 1.000 24.70462 ? 19 LYS B NZ 1 ATOM 8160 H H . LYS F 3 20 ? 9.99011 -53.61423 0.67367 1.000 21.95465 ? 19 LYS B H 1 ATOM 8161 H HA . LYS F 3 20 ? 8.19401 -51.87174 1.73100 1.000 21.34028 ? 19 LYS B HA 1 ATOM 8162 H HB2 . LYS F 3 20 ? 8.12746 -51.81827 -0.66460 1.000 22.58088 ? 19 LYS B HB2 1 ATOM 8163 H HB3 . LYS F 3 20 ? 7.60109 -53.31671 -0.60960 1.000 22.58088 ? 19 LYS B HB3 1 ATOM 8164 H HG2 . LYS F 3 20 ? 5.67165 -52.66815 0.41513 1.000 24.31289 ? 19 LYS B HG2 1 ATOM 8165 H HG3 . LYS F 3 20 ? 6.22127 -51.19061 0.61564 1.000 24.31289 ? 19 LYS B HG3 1 ATOM 8166 H HD2 . LYS F 3 20 ? 6.16436 -50.88856 -1.71640 1.000 25.71439 ? 19 LYS B HD2 1 ATOM 8167 H HD3 . LYS F 3 20 ? 5.52314 -52.33500 -1.86486 1.000 25.71439 ? 19 LYS B HD3 1 ATOM 8168 H HE2 . LYS F 3 20 ? 3.66588 -51.62110 -0.63537 1.000 27.05684 ? 19 LYS B HE2 1 ATOM 8169 H HE3 . LYS F 3 20 ? 4.30197 -50.16803 -0.53842 1.000 27.05684 ? 19 LYS B HE3 1 ATOM 8170 H HZ1 . LYS F 3 20 ? 2.81931 -50.23351 -2.25343 1.000 29.64232 ? 19 LYS B HZ1 1 ATOM 8171 H HZ2 . LYS F 3 20 ? 4.13660 -50.04079 -2.82434 1.000 29.64232 ? 19 LYS B HZ2 1 ATOM 8172 H HZ3 . LYS F 3 20 ? 3.50553 -51.34336 -2.88243 1.000 29.64232 ? 19 LYS B HZ3 1 ATOM 8173 N N . VAL F 3 21 ? 7.42952 -53.65812 3.20499 1.000 16.88179 ? 20 VAL B N 1 ATOM 8174 C CA . VAL F 3 21 ? 6.90208 -54.71480 4.04809 1.000 17.75627 ? 20 VAL B CA 1 ATOM 8175 C C . VAL F 3 21 ? 5.38821 -54.63145 4.01235 1.000 16.69974 ? 20 VAL B C 1 ATOM 8176 O O . VAL F 3 21 ? 4.80849 -53.53450 4.04258 1.000 17.95762 ? 20 VAL B O 1 ATOM 8177 C CB . VAL F 3 21 ? 7.40332 -54.51799 5.48442 1.000 17.46820 ? 20 VAL B CB 1 ATOM 8178 C CG1 . VAL F 3 21 ? 6.86251 -55.61425 6.39304 1.000 18.14155 ? 20 VAL B CG1 1 ATOM 8179 C CG2 . VAL F 3 21 ? 8.94247 -54.50116 5.50900 1.000 18.00893 ? 20 VAL B CG2 1 ATOM 8180 H H . VAL F 3 21 ? 7.48909 -52.89643 3.59981 1.000 20.25492 ? 20 VAL B H 1 ATOM 8181 H HA . VAL F 3 21 ? 7.18051 -55.58342 3.71811 1.000 21.30429 ? 20 VAL B HA 1 ATOM 8182 H HB . VAL F 3 21 ? 7.08243 -53.66634 5.82003 1.000 20.95861 ? 20 VAL B HB 1 ATOM 8183 H HG11 . VAL F 3 21 ? 7.29318 -55.54723 7.25960 1.000 21.76663 ? 20 VAL B HG11 1 ATOM 8184 H HG12 . VAL F 3 21 ? 5.90421 -55.49975 6.49018 1.000 21.76663 ? 20 VAL B HG12 1 ATOM 8185 H HG13 . VAL F 3 21 ? 7.05377 -56.47767 5.99451 1.000 21.76663 ? 20 VAL B HG13 1 ATOM 8186 H HG21 . VAL F 3 21 ? 9.24279 -54.42103 6.42785 1.000 21.60748 ? 20 VAL B HG21 1 ATOM 8187 H HG22 . VAL F 3 21 ? 9.27352 -55.32750 5.12367 1.000 21.60748 ? 20 VAL B HG22 1 ATOM 8188 H HG23 . VAL F 3 21 ? 9.25834 -53.74460 4.99059 1.000 21.60748 ? 20 VAL B HG23 1 ATOM 8189 N N . SER F 3 22 ? 4.73482 -55.78208 3.95910 1.000 16.85136 ? 21 SER B N 1 ATOM 8190 C CA . SER F 3 22 ? 3.27717 -55.82525 3.92473 1.000 16.89194 ? 21 SER B CA 1 ATOM 8191 C C . SER F 3 22 ? 2.70793 -56.36463 5.23330 1.000 18.23792 ? 21 SER B C 1 ATOM 8192 O O . SER F 3 22 ? 3.39543 -57.03067 6.01543 1.000 17.76290 ? 21 SER B O 1 ATOM 8193 C CB . SER F 3 22 ? 2.76856 -56.66464 2.74377 1.000 20.18033 ? 21 SER B CB 1 ATOM 8194 O OG . SER F 3 22 ? 3.10235 -58.02016 2.91850 1.000 21.35667 ? 21 SER B OG 1 ATOM 8195 H H . SER F 3 22 ? 5.11308 -56.55423 3.94181 1.000 20.21840 ? 21 SER B H 1 ATOM 8196 H HA . SER F 3 22 ? 2.94834 -54.91931 3.81493 1.000 20.26709 ? 21 SER B HA 1 ATOM 8197 H HB2 . SER F 3 22 ? 1.80379 -56.58084 2.68810 1.000 24.21316 ? 21 SER B HB2 1 ATOM 8198 H HB3 . SER F 3 22 ? 3.17743 -56.34083 1.92592 1.000 24.21316 ? 21 SER B HB3 1 ATOM 8199 H HG . SER F 3 22 ? 3.63150 -58.26595 2.31419 1.000 25.62478 ? 21 SER B HG 1 ATOM 8200 N N . CYS F 3 23 ? 1.40482 -56.11069 5.41069 1.000 16.58405 ? 22 CYS B N 1 ATOM 8201 C CA . CYS F 3 23 ? 0.68264 -56.37433 6.65837 1.000 17.73645 ? 22 CYS B CA 1 ATOM 8202 C C . CYS F 3 23 ? -0.75833 -56.64428 6.25161 1.000 16.90786 ? 22 CYS B C 1 ATOM 8203 O O . CYS F 3 23 ? -1.50675 -55.70844 5.96737 1.000 18.86746 ? 22 CYS B O 1 ATOM 8204 C CB . CYS F 3 23 ? 0.79175 -55.15548 7.55218 1.000 20.65600 ? 22 CYS B CB 1 ATOM 8205 S SG . CYS F 3 23 ? -0.22732 -55.21224 9.05019 1.000 20.56028 ? 22 CYS B SG 1 ATOM 8206 H H . CYS F 3 23 ? 0.90051 -55.77376 4.80098 1.000 19.89762 ? 22 CYS B H 1 ATOM 8207 H HA . CYS F 3 23 ? 1.03003 -57.15024 7.12545 1.000 21.28052 ? 22 CYS B HA 1 ATOM 8208 H HB2 . CYS F 3 23 ? 1.71576 -55.06162 7.83201 1.000 24.78397 ? 22 CYS B HB2 1 ATOM 8209 H HB3 . CYS F 3 23 ? 0.51839 -54.37615 7.04344 1.000 24.78397 ? 22 CYS B HB3 1 ATOM 8210 N N . LYS F 3 24 ? -1.14388 -57.91788 6.23601 1.000 17.35739 ? 23 LYS B N 1 ATOM 8211 C CA . LYS F 3 24 ? -2.45418 -58.33346 5.75704 1.000 17.86626 ? 23 LYS B CA 1 ATOM 8212 C C . LYS F 3 24 ? -3.37189 -58.52840 6.95197 1.000 18.35850 ? 23 LYS B C 1 ATOM 8213 O O . LYS F 3 24 ? -3.06007 -59.30665 7.86047 1.000 19.40739 ? 23 LYS B O 1 ATOM 8214 C CB . LYS F 3 24 ? -2.34407 -59.63403 4.97175 1.000 21.79331 ? 23 LYS B CB 1 ATOM 8215 C CG . LYS F 3 24 ? -3.67915 -60.28379 4.62675 1.000 26.45835 ? 23 LYS B CG 1 ATOM 8216 C CD . LYS F 3 24 ? -4.40889 -59.51675 3.54345 1.000 32.41435 ? 23 LYS B CD 1 ATOM 8217 C CE . LYS F 3 24 ? -5.64434 -60.27122 3.05736 1.000 38.18007 ? 23 LYS B CE 1 ATOM 8218 N NZ . LYS F 3 24 ? -5.30590 -61.56358 2.39235 1.000 44.75231 ? 23 LYS B NZ 1 ATOM 8219 H H . LYS F 3 24 ? -0.65216 -58.57065 6.50380 1.000 20.82564 ? 23 LYS B H 1 ATOM 8220 H HA . LYS F 3 24 ? -2.82538 -57.64615 5.18197 1.000 21.43628 ? 23 LYS B HA 1 ATOM 8221 H HB2 . LYS F 3 24 ? -1.88321 -59.45248 4.13775 1.000 26.14875 ? 23 LYS B HB2 1 ATOM 8222 H HB3 . LYS F 3 24 ? -1.83685 -60.27067 5.49930 1.000 26.14875 ? 23 LYS B HB3 1 ATOM 8223 H HG2 . LYS F 3 24 ? -3.52387 -61.18683 4.30847 1.000 31.74679 ? 23 LYS B HG2 1 ATOM 8224 H HG3 . LYS F 3 24 ? -4.24075 -60.30266 5.41742 1.000 31.74679 ? 23 LYS B HG3 1 ATOM 8225 H HD2 . LYS F 3 24 ? -4.69438 -58.65868 3.89431 1.000 38.89400 ? 23 LYS B HD2 1 ATOM 8226 H HD3 . LYS F 3 24 ? -3.81527 -59.38525 2.78766 1.000 38.89400 ? 23 LYS B HD3 1 ATOM 8227 H HE2 . LYS F 3 24 ? -6.21572 -60.46536 3.81679 1.000 45.81285 ? 23 LYS B HE2 1 ATOM 8228 H HE3 . LYS F 3 24 ? -6.12009 -59.71984 2.41662 1.000 45.81285 ? 23 LYS B HE3 1 ATOM 8229 H HZ1 . LYS F 3 24 ? -6.04483 -61.94600 2.07637 1.000 53.69954 ? 23 LYS B HZ1 1 ATOM 8230 H HZ2 . LYS F 3 24 ? -4.74348 -61.42057 1.71757 1.000 53.69954 ? 23 LYS B HZ2 1 ATOM 8231 H HZ3 . LYS F 3 24 ? -4.92228 -62.11503 2.97617 1.000 53.69954 ? 23 LYS B HZ3 1 ATOM 8232 N N . ALA F 3 25 ? -4.50734 -57.84459 6.94520 1.000 18.48900 ? 24 ALA B N 1 ATOM 8233 C CA . ALA F 3 25 ? -5.49956 -57.99469 8.00364 1.000 20.23732 ? 24 ALA B CA 1 ATOM 8234 C C . ALA F 3 25 ? -6.44850 -59.12945 7.66368 1.000 20.28794 ? 24 ALA B C 1 ATOM 8235 O O . ALA F 3 25 ? -6.96851 -59.19467 6.54951 1.000 20.64399 ? 24 ALA B O 1 ATOM 8236 C CB . ALA F 3 25 ? -6.28610 -56.70127 8.16644 1.000 22.78174 ? 24 ALA B CB 1 ATOM 8237 H H . ALA F 3 25 ? -4.72977 -57.28213 6.33384 1.000 22.18357 ? 24 ALA B H 1 ATOM 8238 H HA . ALA F 3 25 ? -5.05434 -58.20414 8.83959 1.000 24.28155 ? 24 ALA B HA 1 ATOM 8239 H HB1 . ALA F 3 25 ? -7.01351 -56.85043 8.79056 1.000 27.33485 ? 24 ALA B HB1 1 ATOM 8240 H HB2 . ALA F 3 25 ? -5.69413 -56.01241 8.50693 1.000 27.33485 ? 24 ALA B HB2 1 ATOM 8241 H HB3 . ALA F 3 25 ? -6.64009 -56.43613 7.30314 1.000 27.33485 ? 24 ALA B HB3 1 ATOM 8242 N N . SER F 3 26 ? -6.68144 -60.00981 8.62756 1.000 21.35309 ? 25 SER B N 1 ATOM 8243 C CA . SER F 3 26 ? -7.74920 -60.98696 8.51300 1.000 24.03912 ? 25 SER B CA 1 ATOM 8244 C C . SER F 3 26 ? -9.09789 -60.27038 8.55948 1.000 24.60354 ? 25 SER B C 1 ATOM 8245 O O . SER F 3 26 ? -9.21893 -59.15791 9.06951 1.000 27.34685 ? 25 SER B O 1 ATOM 8246 C CB . SER F 3 26 ? -7.64707 -61.98551 9.67385 1.000 25.69917 ? 25 SER B CB 1 ATOM 8247 O OG . SER F 3 26 ? -7.90215 -61.34968 10.91536 1.000 27.11657 ? 25 SER B OG 1 ATOM 8248 H H . SER F 3 26 ? -6.23342 -60.06145 9.35983 1.000 25.62047 ? 25 SER B H 1 ATOM 8249 H HA . SER F 3 26 ? -7.68461 -61.47669 7.67819 1.000 28.84371 ? 25 SER B HA 1 ATOM 8250 H HB2 . SER F 3 26 ? -8.29963 -62.69081 9.54111 1.000 30.83577 ? 25 SER B HB2 1 ATOM 8251 H HB3 . SER F 3 26 ? -6.75240 -62.35997 9.68957 1.000 30.83577 ? 25 SER B HB3 1 ATOM 8252 H HG . SER F 3 26 ? -8.13174 -61.91956 11.48818 1.000 32.53665 ? 25 SER B HG 1 ATOM 8253 N N . GLY F 3 27 ? -10.11210 -60.89015 7.98594 1.000 27.58119 ? 26 GLY B N 1 ATOM 8254 C CA . GLY F 3 27 ? -11.45023 -60.33731 8.03685 1.000 27.92486 ? 26 GLY B CA 1 ATOM 8255 C C . GLY F 3 27 ? -11.83527 -59.47417 6.85574 1.000 26.38154 ? 26 GLY B C 1 ATOM 8256 O O . GLY F 3 27 ? -12.99409 -59.05347 6.77141 1.000 27.79565 ? 26 GLY B O 1 ATOM 8257 H H . GLY F 3 27 ? -10.04987 -61.63466 7.56000 1.000 33.09419 ? 26 GLY B H 1 ATOM 8258 H HA2 . GLY F 3 27 ? -12.08547 -61.06869 8.08646 1.000 33.50660 ? 26 GLY B HA2 1 ATOM 8259 H HA3 . GLY F 3 27 ? -11.53051 -59.79449 8.83672 1.000 33.50660 ? 26 GLY B HA3 1 ATOM 8260 N N . GLY F 3 28 ? -10.90063 -59.17609 5.96055 1.000 26.24644 ? 27 GLY B N 1 ATOM 8261 C CA . GLY F 3 28 ? -11.23756 -58.53233 4.71333 1.000 26.20215 ? 27 GLY B CA 1 ATOM 8262 C C . GLY F 3 28 ? -11.40159 -57.03330 4.74807 1.000 22.70090 ? 27 GLY B C 1 ATOM 8263 O O . GLY F 3 28 ? -11.83752 -56.45865 3.74282 1.000 24.82336 ? 27 GLY B O 1 ATOM 8264 H H . GLY F 3 28 ? -10.06224 -59.34025 6.05938 1.000 31.49250 ? 27 GLY B H 1 ATOM 8265 H HA2 . GLY F 3 28 ? -10.53838 -58.73074 4.07093 1.000 31.43935 ? 27 GLY B HA2 1 ATOM 8266 H HA3 . GLY F 3 28 ? -12.07412 -58.90630 4.39519 1.000 31.43935 ? 27 GLY B HA3 1 ATOM 8267 N N . THR F 3 29 ? -11.06351 -56.37249 5.85254 1.000 20.20797 ? 28 THR B N 1 ATOM 8268 C CA . THR F 3 29 ? -11.31066 -54.94227 5.94929 1.000 19.57104 ? 28 THR B CA 1 ATOM 8269 C C . THR F 3 29 ? -10.42503 -54.34650 7.03404 1.000 18.63769 ? 28 THR B C 1 ATOM 8270 O O . THR F 3 29 ? -10.06031 -55.01480 7.99521 1.000 19.84697 ? 28 THR B O 1 ATOM 8271 C CB . THR F 3 29 ? -12.78570 -54.64176 6.26515 1.000 20.88822 ? 28 THR B CB 1 ATOM 8272 O OG1 . THR F 3 29 ? -13.03022 -53.22618 6.20934 1.000 19.91512 ? 28 THR B OG1 1 ATOM 8273 C CG2 . THR F 3 29 ? -13.18344 -55.15903 7.62750 1.000 22.17948 ? 28 THR B CG2 1 ATOM 8274 H H . THR F 3 29 ? -10.69655 -56.72569 6.54549 1.000 24.24633 ? 28 THR B H 1 ATOM 8275 H HA . THR F 3 29 ? -11.07928 -54.52984 5.10238 1.000 23.48202 ? 28 THR B HA 1 ATOM 8276 H HB . THR F 3 29 ? -13.33300 -55.09214 5.60294 1.000 25.06263 ? 28 THR B HB 1 ATOM 8277 H HG1 . THR F 3 29 ? -12.56617 -52.87821 5.60175 1.000 23.89492 ? 28 THR B HG1 1 ATOM 8278 H HG21 . THR F 3 29 ? -14.14784 -55.12612 7.72629 1.000 26.61215 ? 28 THR B HG21 1 ATOM 8279 H HG22 . THR F 3 29 ? -12.88727 -56.07662 7.73342 1.000 26.61215 ? 28 THR B HG22 1 ATOM 8280 H HG23 . THR F 3 29 ? -12.77728 -54.61517 8.32043 1.000 26.61215 ? 28 THR B HG23 1 ATOM 8281 N N . PHE F 3 30 ? -10.11788 -53.07276 6.87665 1.000 16.77680 ? 29 PHE B N 1 ATOM 8282 C CA . PHE F 3 30 ? -9.56174 -52.25949 7.94468 1.000 16.74678 ? 29 PHE B CA 1 ATOM 8283 C C . PHE F 3 30 ? -10.62632 -51.49168 8.70919 1.000 17.01719 ? 29 PHE B C 1 ATOM 8284 O O . PHE F 3 30 ? -10.29683 -50.85192 9.70770 1.000 17.06262 ? 29 PHE B O 1 ATOM 8285 C CB . PHE F 3 30 ? -8.53032 -51.26462 7.42440 1.000 16.29548 ? 29 PHE B CB 1 ATOM 8286 C CG . PHE F 3 30 ? -7.28341 -51.91534 6.91293 1.000 16.77393 ? 29 PHE B CG 1 ATOM 8287 C CD1 . PHE F 3 30 ? -6.42000 -52.54441 7.79388 1.000 18.93356 ? 29 PHE B CD1 1 ATOM 8288 C CD2 . PHE F 3 30 ? -6.98276 -51.90659 5.56968 1.000 17.88600 ? 29 PHE B CD2 1 ATOM 8289 C CE1 . PHE F 3 30 ? -5.27925 -53.14748 7.35755 1.000 20.78295 ? 29 PHE B CE1 1 ATOM 8290 C CE2 . PHE F 3 30 ? -5.85026 -52.51049 5.11056 1.000 19.35078 ? 29 PHE B CE2 1 ATOM 8291 C CZ . PHE F 3 30 ? -4.99141 -53.13719 5.99265 1.000 20.25913 ? 29 PHE B CZ 1 ATOM 8292 H H . PHE F 3 30 ? -10.22458 -52.64199 6.14000 1.000 20.12893 ? 29 PHE B H 1 ATOM 8293 H HA . PHE F 3 30 ? -9.09899 -52.85749 8.55227 1.000 20.09290 ? 29 PHE B HA 1 ATOM 8294 H HB2 . PHE F 3 30 ? -8.92262 -50.75877 6.69562 1.000 19.55135 ? 29 PHE B HB2 1 ATOM 8295 H HB3 . PHE F 3 30 ? -8.27970 -50.66681 8.14600 1.000 19.55135 ? 29 PHE B HB3 1 ATOM 8296 H HD1 . PHE F 3 30 ? -6.62297 -52.55540 8.70140 1.000 22.71704 ? 29 PHE B HD1 1 ATOM 8297 H HD2 . PHE F 3 30 ? -7.55652 -51.48556 4.97099 1.000 21.45997 ? 29 PHE B HD2 1 ATOM 8298 H HE1 . PHE F 3 30 ? -4.70203 -53.55913 7.95943 1.000 24.93631 ? 29 PHE B HE1 1 ATOM 8299 H HE2 . PHE F 3 30 ? -5.65528 -52.50059 4.20129 1.000 23.21770 ? 29 PHE B HE2 1 ATOM 8300 H HZ . PHE F 3 30 ? -4.22148 -53.55214 5.67656 1.000 24.30773 ? 29 PHE B HZ 1 ATOM 8301 N N A SER F 3 31 ? -11.88657 -51.53354 8.27444 0.534 17.39514 ? 30 SER B N 1 ATOM 8302 N N B SER F 3 31 ? -11.88849 -51.54052 8.27507 0.466 17.11499 ? 30 SER B N 1 ATOM 8303 C CA A SER F 3 31 ? -12.94036 -50.79204 8.95968 0.534 18.29305 ? 30 SER B CA 1 ATOM 8304 C CA B SER F 3 31 ? -12.94650 -50.77610 8.92875 0.466 16.72155 ? 30 SER B CA 1 ATOM 8305 C C A SER F 3 31 ? -12.48604 -49.34206 9.12955 0.534 17.17111 ? 30 SER B C 1 ATOM 8306 C C B SER F 3 31 ? -12.45027 -49.34574 9.13656 0.466 16.83672 ? 30 SER B C 1 ATOM 8307 O O A SER F 3 31 ? -11.92952 -48.75081 8.19505 0.534 17.10211 ? 30 SER B O 1 ATOM 8308 O O B SER F 3 31 ? -11.80897 -48.77959 8.24112 0.466 16.82156 ? 30 SER B O 1 ATOM 8309 C CB A SER F 3 31 ? -13.26863 -51.46756 10.29013 0.534 20.95128 ? 30 SER B CB 1 ATOM 8310 C CB B SER F 3 31 ? -13.34880 -51.45109 10.23620 0.466 17.60182 ? 30 SER B CB 1 ATOM 8311 O OG A SER F 3 31 ? -13.68429 -52.80582 10.07941 0.534 24.13868 ? 30 SER B OG 1 ATOM 8312 O OG B SER F 3 31 ? -14.51615 -50.85643 10.77426 0.466 18.76349 ? 30 SER B OG 1 ATOM 8313 H H A SER F 3 31 ? -12.15299 -51.98105 7.59007 0.534 20.87094 ? 30 SER B H 1 ATOM 8314 H H B SER F 3 31 ? -12.15470 -52.00889 7.60472 0.466 20.53475 ? 30 SER B H 1 ATOM 8315 H HA A SER F 3 31 ? -13.76516 -50.78576 8.44922 0.534 21.94843 ? 30 SER B HA 1 ATOM 8316 H HA B SER F 3 31 ? -13.74997 -50.74110 8.38643 0.466 20.06263 ? 30 SER B HA 1 ATOM 8317 H HB2 A SER F 3 31 ? -12.47664 -51.46616 10.85018 0.534 25.13831 ? 30 SER B HB2 1 ATOM 8318 H HB2 B SER F 3 31 ? -13.52293 -52.39001 10.06589 0.466 21.11896 ? 30 SER B HB2 1 ATOM 8319 H HB3 A SER F 3 31 ? -13.98399 -50.97842 10.72590 0.534 25.13831 ? 30 SER B HB3 1 ATOM 8320 H HB3 B SER F 3 31 ? -12.62460 -51.35851 10.87484 0.466 21.11896 ? 30 SER B HB3 1 ATOM 8321 H HG A SER F 3 31 ? -14.29593 -52.82949 9.50415 0.534 28.96318 ? 30 SER B HG 1 ATOM 8322 H HG B SER F 3 31 ? -15.12403 -50.84111 10.19473 0.466 22.51296 ? 30 SER B HG 1 ATOM 8323 N N . SER F 3 32 ? -12.71271 -48.74684 10.30163 1.000 15.69875 ? 31 SER B N 1 ATOM 8324 C CA . SER F 3 32 ? -12.29311 -47.37646 10.57399 1.000 15.63297 ? 31 SER B CA 1 ATOM 8325 C C . SER F 3 32 ? -11.04180 -47.33684 11.44287 1.000 15.30009 ? 31 SER B C 1 ATOM 8326 O O . SER F 3 32 ? -10.74830 -46.31657 12.06589 1.000 15.54956 ? 31 SER B O 1 ATOM 8327 C CB . SER F 3 32 ? -13.40436 -46.56218 11.21706 1.000 16.93674 ? 31 SER B CB 1 ATOM 8328 O OG . SER F 3 32 ? -13.66772 -46.98520 12.54295 1.000 18.07765 ? 31 SER B OG 1 ATOM 8329 H H . SER F 3 32 ? -13.11341 -49.12192 10.96372 1.000 18.83527 ? 31 SER B H 1 ATOM 8330 H HA . SER F 3 32 ? -12.09886 -46.95166 9.72387 1.000 18.75633 ? 31 SER B HA 1 ATOM 8331 H HB2 . SER F 3 32 ? -13.13763 -45.62974 11.23445 1.000 20.32086 ? 31 SER B HB2 1 ATOM 8332 H HB3 . SER F 3 32 ? -14.21216 -46.66641 10.69028 1.000 20.32086 ? 31 SER B HB3 1 ATOM 8333 H HG . SER F 3 32 ? -13.95130 -47.77588 12.54127 1.000 21.68995 ? 31 SER B HG 1 ATOM 8334 N N . TYR F 3 33 ? -10.27676 -48.41249 11.45518 1.000 15.41867 ? 32 TYR B N 1 ATOM 8335 C CA . TYR F 3 33 ? -9.08066 -48.46652 12.28182 1.000 15.47915 ? 32 TYR B CA 1 ATOM 8336 C C . TYR F 3 33 ? -7.88577 -47.80611 11.61830 1.000 15.59317 ? 32 TYR B C 1 ATOM 8337 O O . TYR F 3 33 ? -7.75636 -47.77154 10.39415 1.000 17.24785 ? 32 TYR B O 1 ATOM 8338 C CB . TYR F 3 33 ? -8.68605 -49.91980 12.55045 1.000 17.71088 ? 32 TYR B CB 1 ATOM 8339 C CG . TYR F 3 33 ? -9.64619 -50.66530 13.43103 1.000 19.14929 ? 32 TYR B CG 1 ATOM 8340 C CD1 . TYR F 3 33 ? -9.74014 -50.35037 14.78572 1.000 20.12249 ? 32 TYR B CD1 1 ATOM 8341 C CD2 . TYR F 3 33 ? -10.41856 -51.69434 12.94188 1.000 21.92861 ? 32 TYR B CD2 1 ATOM 8342 C CE1 . TYR F 3 33 ? -10.60375 -51.02677 15.60789 1.000 23.11621 ? 32 TYR B CE1 1 ATOM 8343 C CE2 . TYR F 3 33 ? -11.28520 -52.38464 13.76331 1.000 22.56694 ? 32 TYR B CE2 1 ATOM 8344 C CZ . TYR F 3 33 ? -11.36895 -52.03798 15.08884 1.000 24.73464 ? 32 TYR B CZ 1 ATOM 8345 O OH . TYR F 3 33 ? -12.22117 -52.72319 15.90808 1.000 28.62975 ? 32 TYR B OH 1 ATOM 8346 H H . TYR F 3 33 ? -10.42556 -49.12423 10.99596 1.000 18.49918 ? 32 TYR B H 1 ATOM 8347 H HA . TYR F 3 33 ? -9.28147 -48.00057 13.10854 1.000 18.57175 ? 32 TYR B HA 1 ATOM 8348 H HB2 . TYR F 3 33 ? -8.63812 -50.38982 11.70329 1.000 21.24983 ? 32 TYR B HB2 1 ATOM 8349 H HB3 . TYR F 3 33 ? -7.81904 -49.93045 12.98529 1.000 21.24983 ? 32 TYR B HB3 1 ATOM 8350 H HD1 . TYR F 3 33 ? -9.20956 -49.67195 15.13663 1.000 24.14376 ? 32 TYR B HD1 1 ATOM 8351 H HD2 . TYR F 3 33 ? -10.35508 -51.92768 12.04387 1.000 26.31110 ? 32 TYR B HD2 1 ATOM 8352 H HE1 . TYR F 3 33 ? -10.66953 -50.80182 16.50788 1.000 27.73622 ? 32 TYR B HE1 1 ATOM 8353 H HE2 . TYR F 3 33 ? -11.80612 -53.07607 13.42350 1.000 27.07709 ? 32 TYR B HE2 1 ATOM 8354 H HH . TYR F 3 33 ? -12.72313 -53.21804 15.45118 1.000 34.35247 ? 32 TYR B HH 1 ATOM 8355 N N . ALA F 3 34 ? -6.97985 -47.33333 12.45189 1.000 14.92728 ? 33 ALA B N 1 ATOM 8356 C CA . ALA F 3 34 ? -5.64763 -46.94644 12.04016 1.000 15.63297 ? 33 ALA B CA 1 ATOM 8357 C C . ALA F 3 34 ? -4.68349 -48.10584 12.20625 1.000 15.25791 ? 33 ALA B C 1 ATOM 8358 O O . ALA F 3 34 ? -4.83496 -48.94242 13.11398 1.000 14.80128 ? 33 ALA B O 1 ATOM 8359 C CB . ALA F 3 34 ? -5.17527 -45.76447 12.89126 1.000 14.74806 ? 33 ALA B CB 1 ATOM 8360 H H . ALA F 3 34 ? -7.11815 -47.22307 13.29350 1.000 17.90951 ? 33 ALA B H 1 ATOM 8361 H HA . ALA F 3 34 ? -5.65050 -46.68768 11.10531 1.000 18.75633 ? 33 ALA B HA 1 ATOM 8362 H HB1 . ALA F 3 34 ? -4.34584 -45.42177 12.52316 1.000 17.69444 ? 33 ALA B HB1 1 ATOM 8363 H HB2 . ALA F 3 34 ? -5.85490 -45.07254 12.87569 1.000 17.69444 ? 33 ALA B HB2 1 ATOM 8364 H HB3 . ALA F 3 34 ? -5.03281 -46.06777 13.80154 1.000 17.69444 ? 33 ALA B HB3 1 ATOM 8365 N N . ILE F 3 35 ? -3.68408 -48.14828 11.31331 1.000 15.13908 ? 34 ILE B N 1 ATOM 8366 C CA . ILE F 3 35 ? -2.59169 -49.11359 11.37950 1.000 14.83381 ? 34 ILE B CA 1 ATOM 8367 C C . ILE F 3 35 ? -1.30051 -48.33055 11.47888 1.000 15.60558 ? 34 ILE B C 1 ATOM 8368 O O . ILE F 3 35 ? -1.02896 -47.46783 10.62957 1.000 16.20306 ? 34 ILE B O 1 ATOM 8369 C CB . ILE F 3 35 ? -2.56939 -50.02764 10.13354 1.000 15.82869 ? 34 ILE B CB 1 ATOM 8370 C CG1 . ILE F 3 35 ? -3.91058 -50.73998 9.98063 1.000 18.98014 ? 34 ILE B CG1 1 ATOM 8371 C CG2 . ILE F 3 35 ? -1.39107 -50.98524 10.19980 1.000 17.43769 ? 34 ILE B CG2 1 ATOM 8372 C CD1 . ILE F 3 35 ? -4.22132 -51.74174 11.05894 1.000 21.05981 ? 34 ILE B CD1 1 ATOM 8373 H H . ILE F 3 35 ? -3.62129 -47.61096 10.64478 1.000 18.16366 ? 34 ILE B H 1 ATOM 8374 H HA . ILE F 3 35 ? -2.69076 -49.66953 12.16818 1.000 17.79734 ? 34 ILE B HA 1 ATOM 8375 H HB . ILE F 3 35 ? -2.44499 -49.48737 9.33759 1.000 18.99119 ? 34 ILE B HB 1 ATOM 8376 H HG12 . ILE F 3 35 ? -4.61553 -50.07375 9.99004 1.000 22.77293 ? 34 ILE B HG12 1 ATOM 8377 H HG13 . ILE F 3 35 ? -3.91270 -51.21328 9.13394 1.000 22.77293 ? 34 ILE B HG13 1 ATOM 8378 H HG21 . ILE F 3 35 ? -1.57061 -51.74702 9.62678 1.000 20.92200 ? 34 ILE B HG21 1 ATOM 8379 H HG22 . ILE F 3 35 ? -0.59259 -50.52485 9.89751 1.000 20.92200 ? 34 ILE B HG22 1 ATOM 8380 H HG23 . ILE F 3 35 ? -1.27548 -51.28079 11.11642 1.000 20.92200 ? 34 ILE B HG23 1 ATOM 8381 H HD11 . ILE F 3 35 ? -5.07020 -52.16684 10.85995 1.000 25.26854 ? 34 ILE B HD11 1 ATOM 8382 H HD12 . ILE F 3 35 ? -3.51607 -52.40722 11.08449 1.000 25.26854 ? 34 ILE B HD12 1 ATOM 8383 H HD13 . ILE F 3 35 ? -4.27340 -51.28207 11.91152 1.000 25.26854 ? 34 ILE B HD13 1 ATOM 8384 N N . SER F 3 36 ? -0.50680 -48.63426 12.49702 1.000 15.29635 ? 35 SER B N 1 ATOM 8385 C CA . SER F 3 36 ? 0.80091 -48.02866 12.64753 1.000 14.89680 ? 35 SER B CA 1 ATOM 8386 C C . SER F 3 36 ? 1.88800 -49.01422 12.22968 1.000 12.98719 ? 35 SER B C 1 ATOM 8387 O O . SER F 3 36 ? 1.71104 -50.24998 12.23533 1.000 13.76437 ? 35 SER B O 1 ATOM 8388 C CB . SER F 3 36 ? 1.09177 -47.63766 14.10466 1.000 17.34140 ? 35 SER B CB 1 ATOM 8389 O OG . SER F 3 36 ? 0.26856 -46.56671 14.55443 1.000 17.70884 ? 35 SER B OG 1 ATOM 8390 H H . SER F 3 36 ? -0.70895 -49.19422 13.11765 1.000 18.35239 ? 35 SER B H 1 ATOM 8391 H HA . SER F 3 36 ? 0.81939 -47.23314 12.09282 1.000 17.87293 ? 35 SER B HA 1 ATOM 8392 H HB2 . SER F 3 36 ? 0.93160 -48.40947 14.66996 1.000 20.80645 ? 35 SER B HB2 1 ATOM 8393 H HB3 . SER F 3 36 ? 2.01988 -47.36388 14.17216 1.000 20.80645 ? 35 SER B HB3 1 ATOM 8394 H HG . SER F 3 36 ? -0.48596 -46.85931 14.77956 1.000 21.24738 ? 35 SER B HG 1 ATOM 8395 N N . TRP F 3 37 ? 3.06376 -48.45440 11.96212 1.000 14.58233 ? 36 TRP B N 1 ATOM 8396 C CA . TRP F 3 37 ? 4.28658 -49.21783 11.82564 1.000 14.49901 ? 36 TRP B CA 1 ATOM 8397 C C . TRP F 3 37 ? 5.21854 -48.78502 12.94817 1.000 13.38933 ? 36 TRP B C 1 ATOM 8398 O O . TRP F 3 37 ? 5.40122 -47.58679 13.18277 1.000 16.02489 ? 36 TRP B O 1 ATOM 8399 C CB . TRP F 3 37 ? 4.91089 -48.97888 10.46330 1.000 15.54557 ? 36 TRP B CB 1 ATOM 8400 C CG . TRP F 3 37 ? 4.14859 -49.68413 9.39442 1.000 16.29976 ? 36 TRP B CG 1 ATOM 8401 C CD1 . TRP F 3 37 ? 3.17077 -49.16003 8.61987 1.000 16.90905 ? 36 TRP B CD1 1 ATOM 8402 C CD2 . TRP F 3 37 ? 4.28903 -51.06074 9.00588 1.000 15.40887 ? 36 TRP B CD2 1 ATOM 8403 N NE1 . TRP F 3 37 ? 2.69438 -50.11663 7.77475 1.000 17.68072 ? 36 TRP B NE1 1 ATOM 8404 C CE2 . TRP F 3 37 ? 3.37013 -51.29131 7.97294 1.000 16.80074 ? 36 TRP B CE2 1 ATOM 8405 C CE3 . TRP F 3 37 ? 5.13140 -52.10481 9.40813 1.000 15.91724 ? 36 TRP B CE3 1 ATOM 8406 C CZ2 . TRP F 3 37 ? 3.25922 -52.51725 7.33150 1.000 17.22582 ? 36 TRP B CZ2 1 ATOM 8407 C CZ3 . TRP F 3 37 ? 5.01098 -53.32601 8.78373 1.000 16.98217 ? 36 TRP B CZ3 1 ATOM 8408 C CH2 . TRP F 3 37 ? 4.07034 -53.52077 7.75141 1.000 16.35184 ? 36 TRP B CH2 1 ATOM 8409 H H . TRP F 3 37 ? 3.17544 -47.60867 11.85318 1.000 17.49557 ? 36 TRP B H 1 ATOM 8410 H HA . TRP F 3 37 ? 4.12440 -50.17075 11.90653 1.000 17.39558 ? 36 TRP B HA 1 ATOM 8411 H HB2 . TRP F 3 37 ? 4.90594 -48.02864 10.26858 1.000 18.65146 ? 36 TRP B HB2 1 ATOM 8412 H HB3 . TRP F 3 37 ? 5.82157 -49.31287 10.46292 1.000 18.65146 ? 36 TRP B HB3 1 ATOM 8413 H HD1 . TRP F 3 37 ? 2.86978 -48.28094 8.65847 1.000 20.28763 ? 36 TRP B HD1 1 ATOM 8414 H HE1 . TRP F 3 37 ? 2.06337 -50.00019 7.20216 1.000 21.21363 ? 36 TRP B HE1 1 ATOM 8415 H HE3 . TRP F 3 37 ? 5.75866 -51.97600 10.08255 1.000 19.09745 ? 36 TRP B HE3 1 ATOM 8416 H HZ2 . TRP F 3 37 ? 2.65142 -52.64611 6.63948 1.000 20.66775 ? 36 TRP B HZ2 1 ATOM 8417 H HZ3 . TRP F 3 37 ? 5.55708 -54.03155 9.04620 1.000 20.37537 ? 36 TRP B HZ3 1 ATOM 8418 H HH2 . TRP F 3 37 ? 4.00434 -54.35657 7.34894 1.000 19.61898 ? 36 TRP B HH2 1 ATOM 8419 N N . VAL F 3 38 ? 5.74014 -49.76505 13.66638 1.000 14.55828 ? 37 VAL B N 1 ATOM 8420 C CA . VAL F 3 38 ? 6.60691 -49.58563 14.82180 1.000 15.07167 ? 37 VAL B CA 1 ATOM 8421 C C . VAL F 3 38 ? 7.83305 -50.44990 14.58745 1.000 15.95731 ? 37 VAL B C 1 ATOM 8422 O O . VAL F 3 38 ? 7.71158 -51.62436 14.20473 1.000 19.10249 ? 37 VAL B O 1 ATOM 8423 C CB . VAL F 3 38 ? 5.87691 -50.03909 16.09722 1.000 16.77332 ? 37 VAL B CB 1 ATOM 8424 C CG1 . VAL F 3 38 ? 6.85749 -50.03051 17.29053 1.000 17.66071 ? 37 VAL B CG1 1 ATOM 8425 C CG2 . VAL F 3 38 ? 4.65589 -49.17994 16.37134 1.000 16.93683 ? 37 VAL B CG2 1 ATOM 8426 H H . VAL F 3 38 ? 5.59849 -50.59569 13.49442 1.000 17.46670 ? 37 VAL B H 1 ATOM 8427 H HA . VAL F 3 38 ? 6.88281 -48.66080 14.91908 1.000 18.08277 ? 37 VAL B HA 1 ATOM 8428 H HB . VAL F 3 38 ? 5.55494 -50.94573 15.97380 1.000 20.12476 ? 37 VAL B HB 1 ATOM 8429 H HG11 . VAL F 3 38 ? 6.36328 -50.20547 18.10665 1.000 21.18962 ? 37 VAL B HG11 1 ATOM 8430 H HG12 . VAL F 3 38 ? 7.52633 -50.71977 17.15464 1.000 21.18962 ? 37 VAL B HG12 1 ATOM 8431 H HG13 . VAL F 3 38 ? 7.28434 -49.16101 17.34228 1.000 21.18962 ? 37 VAL B HG13 1 ATOM 8432 H HG21 . VAL F 3 38 ? 4.18406 -49.53769 17.13964 1.000 20.32097 ? 37 VAL B HG21 1 ATOM 8433 H HG22 . VAL F 3 38 ? 4.94332 -48.27153 16.55322 1.000 20.32097 ? 37 VAL B HG22 1 ATOM 8434 H HG23 . VAL F 3 38 ? 4.07822 -49.19438 15.59225 1.000 20.32097 ? 37 VAL B HG23 1 ATOM 8435 N N . ARG F 3 39 ? 9.01439 -49.88520 14.77518 1.000 15.39042 ? 38 ARG B N 1 ATOM 8436 C CA . ARG F 3 39 ? 10.19258 -50.71126 14.59156 1.000 15.77653 ? 38 ARG B CA 1 ATOM 8437 C C . ARG F 3 39 ? 11.01714 -50.81778 15.85500 1.000 17.22391 ? 38 ARG B C 1 ATOM 8438 O O . ARG F 3 39 ? 10.89237 -50.02704 16.78886 1.000 17.89390 ? 38 ARG B O 1 ATOM 8439 C CB . ARG F 3 39 ? 11.07784 -50.23236 13.43831 1.000 17.81431 ? 38 ARG B CB 1 ATOM 8440 C CG . ARG F 3 39 ? 11.92495 -49.02413 13.75365 1.000 18.28937 ? 38 ARG B CG 1 ATOM 8441 C CD . ARG F 3 39 ? 12.87368 -48.76594 12.60354 1.000 19.65509 ? 38 ARG B CD 1 ATOM 8442 N NE . ARG F 3 39 ? 13.81588 -47.69377 12.89127 1.000 20.12511 ? 38 ARG B NE 1 ATOM 8443 C CZ . ARG F 3 39 ? 14.63127 -47.16511 11.98302 1.000 20.26721 ? 38 ARG B CZ 1 ATOM 8444 N NH1 . ARG F 3 39 ? 14.60235 -47.54887 10.70954 1.000 19.37887 ? 38 ARG B NH1 1 ATOM 8445 N NH2 . ARG F 3 39 ? 15.48239 -46.21982 12.35104 1.000 22.70358 ? 38 ARG B NH2 1 ATOM 8446 H H . ARG F 3 39 ? 9.15074 -49.06588 14.99817 1.000 18.46528 ? 38 ARG B H 1 ATOM 8447 H HA . ARG F 3 39 ? 9.87615 -51.60306 14.37833 1.000 18.92860 ? 38 ARG B HA 1 ATOM 8448 H HB2 . ARG F 3 39 ? 11.67779 -50.95317 13.19051 1.000 21.37394 ? 38 ARG B HB2 1 ATOM 8449 H HB3 . ARG F 3 39 ? 10.50824 -50.00197 12.68773 1.000 21.37394 ? 38 ARG B HB3 1 ATOM 8450 H HG2 . ARG F 3 39 ? 11.35810 -48.24626 13.87411 1.000 21.94401 ? 38 ARG B HG2 1 ATOM 8451 H HG3 . ARG F 3 39 ? 12.44265 -49.18512 14.55800 1.000 21.94401 ? 38 ARG B HG3 1 ATOM 8452 H HD2 . ARG F 3 39 ? 13.38123 -49.57266 12.42325 1.000 23.58288 ? 38 ARG B HD2 1 ATOM 8453 H HD3 . ARG F 3 39 ? 12.36118 -48.51423 11.81940 1.000 23.58288 ? 38 ARG B HD3 1 ATOM 8454 H HE . ARG F 3 39 ? 13.84692 -47.38502 13.69334 1.000 24.14690 ? 38 ARG B HE 1 ATOM 8455 H HH11 . ARG F 3 39 ? 14.04630 -48.15362 10.45520 1.000 23.25141 ? 38 ARG B HH11 1 ATOM 8456 H HH12 . ARG F 3 39 ? 15.13970 -47.19219 10.14064 1.000 23.25141 ? 38 ARG B HH12 1 ATOM 8457 H HH21 . ARG F 3 39 ? 15.50333 -45.95475 13.16890 1.000 27.24107 ? 38 ARG B HH21 1 ATOM 8458 H HH22 . ARG F 3 39 ? 16.01421 -45.87096 11.77220 1.000 27.24107 ? 38 ARG B HH22 1 ATOM 8459 N N . GLN F 3 40 ? 11.90791 -51.79289 15.82795 1.000 16.85142 ? 39 GLN B N 1 ATOM 8460 C CA . GLN F 3 40 ? 12.72707 -52.13897 16.97987 1.000 17.56434 ? 39 GLN B CA 1 ATOM 8461 C C . GLN F 3 40 ? 14.08987 -52.58282 16.46889 1.000 17.64485 ? 39 GLN B C 1 ATOM 8462 O O . GLN F 3 40 ? 14.24241 -53.69682 15.95419 1.000 18.38905 ? 39 GLN B O 1 ATOM 8463 C CB . GLN F 3 40 ? 12.03393 -53.23660 17.77299 1.000 19.70235 ? 39 GLN B CB 1 ATOM 8464 C CG . GLN F 3 40 ? 12.72227 -53.56050 19.06569 1.000 19.95501 ? 39 GLN B CG 1 ATOM 8465 C CD . GLN F 3 40 ? 11.86047 -54.45291 19.91788 1.000 22.32985 ? 39 GLN B CD 1 ATOM 8466 O OE1 . GLN F 3 40 ? 11.32398 -55.45705 19.44027 1.000 24.70344 ? 39 GLN B OE1 1 ATOM 8467 N NE2 . GLN F 3 40 ? 11.67866 -54.07614 21.16102 1.000 22.41814 ? 39 GLN B NE2 1 ATOM 8468 H H . GLN F 3 40 ? 12.06190 -52.28225 15.13772 1.000 20.21847 ? 39 GLN B H 1 ATOM 8469 H HA . GLN F 3 40 ? 12.87065 -51.37124 17.55509 1.000 21.07398 ? 39 GLN B HA 1 ATOM 8470 H HB2 . GLN F 3 40 ? 11.13038 -52.95087 17.97999 1.000 23.63959 ? 39 GLN B HB2 1 ATOM 8471 H HB3 . GLN F 3 40 ? 12.01173 -54.04454 17.23666 1.000 23.63959 ? 39 GLN B HB3 1 ATOM 8472 H HG2 . GLN F 3 40 ? 13.55632 -54.02051 18.88228 1.000 23.94278 ? 39 GLN B HG2 1 ATOM 8473 H HG3 . GLN F 3 40 ? 12.89598 -52.74088 19.55452 1.000 23.94278 ? 39 GLN B HG3 1 ATOM 8474 H HE21 . GLN F 3 40 ? 12.04404 -53.35281 21.44892 1.000 26.89854 ? 39 GLN B HE21 1 ATOM 8475 H HE22 . GLN F 3 40 ? 11.19407 -54.55243 21.68819 1.000 26.89854 ? 39 GLN B HE22 1 ATOM 8476 N N . ALA F 3 41 ? 15.07656 -51.70102 16.59134 1.000 17.88266 ? 40 ALA B N 1 ATOM 8477 C CA . ALA F 3 41 ? 16.42558 -52.05167 16.19575 1.000 20.49585 ? 40 ALA B CA 1 ATOM 8478 C C . ALA F 3 41 ? 16.99809 -53.04111 17.20883 1.000 23.06949 ? 40 ALA B C 1 ATOM 8479 O O . ALA F 3 41 ? 16.51062 -53.15196 18.33704 1.000 23.53906 ? 40 ALA B O 1 ATOM 8480 C CB . ALA F 3 41 ? 17.27545 -50.79843 16.08844 1.000 19.94541 ? 40 ALA B CB 1 ATOM 8481 H H . ALA F 3 41 ? 14.98756 -50.90248 16.89797 1.000 21.45596 ? 40 ALA B H 1 ATOM 8482 H HA . ALA F 3 41 ? 16.44019 -52.47524 15.32324 1.000 24.59179 ? 40 ALA B HA 1 ATOM 8483 H HB1 . ALA F 3 41 ? 18.20845 -51.05455 16.01906 1.000 23.93127 ? 40 ALA B HB1 1 ATOM 8484 H HB2 . ALA F 3 41 ? 17.00887 -50.30277 15.29840 1.000 23.93127 ? 40 ALA B HB2 1 ATOM 8485 H HB3 . ALA F 3 41 ? 17.13944 -50.25582 16.88089 1.000 23.93127 ? 40 ALA B HB3 1 ATOM 8486 N N . PRO F 3 42 ? 18.02484 -53.79135 16.81296 1.000 24.91142 ? 41 PRO B N 1 ATOM 8487 C CA . PRO F 3 42 ? 18.48820 -54.91374 17.65508 1.000 27.00392 ? 41 PRO B CA 1 ATOM 8488 C C . PRO F 3 42 ? 18.86507 -54.47145 19.05725 1.000 29.32920 ? 41 PRO B C 1 ATOM 8489 O O . PRO F 3 42 ? 19.71778 -53.59544 19.24482 1.000 28.96823 ? 41 PRO B O 1 ATOM 8490 C CB . PRO F 3 42 ? 19.69462 -55.46669 16.88328 1.000 29.39005 ? 41 PRO B CB 1 ATOM 8491 C CG . PRO F 3 42 ? 19.49264 -54.97652 15.44390 1.000 27.97157 ? 41 PRO B CG 1 ATOM 8492 C CD . PRO F 3 42 ? 18.80698 -53.65544 15.56394 1.000 27.01160 ? 41 PRO B CD 1 ATOM 8493 H HA . PRO F 3 42 ? 17.79367 -55.58830 17.71425 1.000 32.40148 ? 41 PRO B HA 1 ATOM 8494 H HB2 . PRO F 3 42 ? 20.51737 -55.11578 17.25856 1.000 35.26483 ? 41 PRO B HB2 1 ATOM 8495 H HB3 . PRO F 3 42 ? 19.69828 -56.43583 16.92396 1.000 35.26483 ? 41 PRO B HB3 1 ATOM 8496 H HG2 . PRO F 3 42 ? 20.35279 -54.87995 15.00605 1.000 33.56266 ? 41 PRO B HG2 1 ATOM 8497 H HG3 . PRO F 3 42 ? 18.94115 -55.60808 14.95617 1.000 33.56266 ? 41 PRO B HG3 1 ATOM 8498 H HD2 . PRO F 3 42 ? 19.45357 -52.93617 15.63786 1.000 32.41069 ? 41 PRO B HD2 1 ATOM 8499 H HD3 . PRO F 3 42 ? 18.22250 -53.49950 14.80567 1.000 32.41069 ? 41 PRO B HD3 1 ATOM 8500 N N . GLY F 3 43 ? 18.21184 -55.09713 20.05135 1.000 28.65045 ? 42 GLY B N 1 ATOM 8501 C CA . GLY F 3 43 ? 18.47055 -54.81438 21.44712 1.000 28.67730 ? 42 GLY B CA 1 ATOM 8502 C C . GLY F 3 43 ? 17.99134 -53.46100 21.90111 1.000 27.49827 ? 42 GLY B C 1 ATOM 8503 O O . GLY F 3 43 ? 18.34928 -53.03715 23.01039 1.000 30.70503 ? 42 GLY B O 1 ATOM 8504 H H . GLY F 3 43 ? 17.60740 -55.69646 19.92866 1.000 34.37731 ? 42 GLY B H 1 ATOM 8505 H HA2 . GLY F 3 43 ? 18.02817 -55.48559 21.98996 1.000 34.40953 ? 42 GLY B HA2 1 ATOM 8506 H HA3 . GLY F 3 43 ? 19.42660 -54.86104 21.60424 1.000 34.40953 ? 42 GLY B HA3 1 ATOM 8507 N N A GLN F 3 44 ? 17.18776 -52.76667 21.10053 0.875 24.70911 ? 43 GLN B N 1 ATOM 8508 N N B GLN F 3 44 ? 17.20816 -52.77041 21.06986 0.125 26.87511 ? 43 GLN B N 1 ATOM 8509 C CA A GLN F 3 44 ? 16.74588 -51.42193 21.41020 0.875 23.92624 ? 43 GLN B CA 1 ATOM 8510 C CA B GLN F 3 44 ? 16.73791 -51.42191 21.31354 0.125 27.04238 ? 43 GLN B CA 1 ATOM 8511 C C A GLN F 3 44 ? 15.22829 -51.43359 21.59196 0.875 23.56013 ? 43 GLN B C 1 ATOM 8512 C C B GLN F 3 44 ? 15.25618 -51.44642 21.68058 0.125 24.17704 ? 43 GLN B C 1 ATOM 8513 O O A GLN F 3 44 ? 14.57351 -52.48442 21.55194 0.875 23.72563 ? 43 GLN B O 1 ATOM 8514 O O B GLN F 3 44 ? 14.63803 -52.51294 21.80751 0.125 23.52038 ? 43 GLN B O 1 ATOM 8515 C CB A GLN F 3 44 ? 17.21444 -50.45384 20.31714 0.875 24.68070 ? 43 GLN B CB 1 ATOM 8516 C CB B GLN F 3 44 ? 16.94385 -50.57370 20.05623 0.125 28.84210 ? 43 GLN B CB 1 ATOM 8517 C CG A GLN F 3 44 ? 18.74829 -50.27561 20.29475 0.875 27.35537 ? 43 GLN B CG 1 ATOM 8518 C CG B GLN F 3 44 ? 18.32330 -50.63852 19.45664 0.125 30.35169 ? 43 GLN B CG 1 ATOM 8519 C CD A GLN F 3 44 ? 19.25343 -49.64078 19.00364 0.875 29.30827 ? 43 GLN B CD 1 ATOM 8520 C CD B GLN F 3 44 ? 18.85107 -49.26109 19.12248 0.125 31.97000 ? 43 GLN B CD 1 ATOM 8521 O OE1 A GLN F 3 44 ? 19.85235 -50.31144 18.16392 0.875 30.54364 ? 43 GLN B OE1 1 ATOM 8522 O OE1 B GLN F 3 44 ? 18.42605 -48.63753 18.14863 0.125 33.04857 ? 43 GLN B OE1 1 ATOM 8523 N NE2 A GLN F 3 44 ? 19.03534 -48.33592 18.85760 0.875 29.69254 ? 43 GLN B NE2 1 ATOM 8524 N NE2 B GLN F 3 44 ? 19.77582 -48.77181 19.93860 0.125 32.79212 ? 43 GLN B NE2 1 ATOM 8525 H H A GLN F 3 44 ? 16.88098 -53.06636 20.35509 0.875 29.64770 ? 43 GLN B H 1 ATOM 8526 H H B GLN F 3 44 ? 16.92588 -53.08595 20.32129 0.125 32.24690 ? 43 GLN B H 1 ATOM 8527 H HA A GLN F 3 44 ? 17.12952 -51.11408 22.24623 0.875 28.70825 ? 43 GLN B HA 1 ATOM 8528 H HA B GLN F 3 44 ? 17.24745 -51.05163 22.05122 0.125 32.44762 ? 43 GLN B HA 1 ATOM 8529 H HB2 A GLN F 3 44 ? 16.93919 -50.79677 19.45253 0.875 29.61361 ? 43 GLN B HB2 1 ATOM 8530 H HB2 B GLN F 3 44 ? 16.31880 -50.87471 19.37829 0.125 34.60729 ? 43 GLN B HB2 1 ATOM 8531 H HB3 A GLN F 3 44 ? 16.81320 -49.58445 20.47224 0.875 29.61361 ? 43 GLN B HB3 1 ATOM 8532 H HB3 B GLN F 3 44 ? 16.76874 -49.64640 20.28064 0.125 34.60729 ? 43 GLN B HB3 1 ATOM 8533 H HG2 A GLN F 3 44 ? 19.01013 -49.70266 21.03236 0.875 32.82321 ? 43 GLN B HG2 1 ATOM 8534 H HG2 B GLN F 3 44 ? 18.92953 -51.05141 20.09139 0.125 36.41880 ? 43 GLN B HG2 1 ATOM 8535 H HG3 A GLN F 3 44 ? 19.16832 -51.14530 20.38492 0.875 32.82321 ? 43 GLN B HG3 1 ATOM 8536 H HG3 B GLN F 3 44 ? 18.29324 -51.15990 18.63923 0.125 36.41880 ? 43 GLN B HG3 1 ATOM 8537 H HE21 A GLN F 3 44 ? 18.62816 -47.89632 19.47449 0.875 35.62782 ? 43 GLN B HE21 1 ATOM 8538 H HE21 B GLN F 3 44 ? 20.04218 -49.23413 20.61308 0.125 39.34731 ? 43 GLN B HE21 1 ATOM 8539 H HE22 A GLN F 3 44 ? 19.30160 -47.93241 18.14634 0.875 35.62782 ? 43 GLN B HE22 1 ATOM 8540 H HE22 B GLN F 3 44 ? 20.10883 -47.99237 19.79308 0.125 39.34731 ? 43 GLN B HE22 1 ATOM 8541 N N . GLY F 3 45 ? 14.66687 -50.25030 21.81100 1.000 21.92294 ? 44 GLY B N 1 ATOM 8542 C CA . GLY F 3 45 ? 13.26328 -50.12419 22.13593 1.000 19.94011 ? 44 GLY B CA 1 ATOM 8543 C C . GLY F 3 45 ? 12.36025 -49.94109 20.92344 1.000 19.83321 ? 44 GLY B C 1 ATOM 8544 O O . GLY F 3 45 ? 12.80096 -49.81530 19.78931 1.000 21.79154 ? 44 GLY B O 1 ATOM 8545 H H A GLY F 3 45 ? 15.08617 -49.50027 21.77586 0.875 26.30430 ? 44 GLY B H 1 ATOM 8546 H H B GLY F 3 45 ? 15.07221 -49.49817 21.71301 0.125 26.30430 ? 44 GLY B H 1 ATOM 8547 H HA2 . GLY F 3 45 ? 12.97580 -50.92336 22.60452 1.000 23.92490 ? 44 GLY B HA2 1 ATOM 8548 H HA3 . GLY F 3 45 ? 13.14257 -49.35683 22.71687 1.000 23.92490 ? 44 GLY B HA3 1 ATOM 8549 N N . LEU F 3 46 ? 11.06230 -49.93163 21.19869 1.000 18.02469 ? 45 LEU B N 1 ATOM 8550 C CA . LEU F 3 46 ? 10.06606 -49.69986 20.16008 1.000 17.14662 ? 45 LEU B CA 1 ATOM 8551 C C . LEU F 3 46 ? 10.09090 -48.23683 19.73530 1.000 16.60999 ? 45 LEU B C 1 ATOM 8552 O O . LEU F 3 46 ? 10.23841 -47.32991 20.57184 1.000 18.24365 ? 45 LEU B O 1 ATOM 8553 C CB . LEU F 3 46 ? 8.67518 -50.02621 20.72253 1.000 17.64749 ? 45 LEU B CB 1 ATOM 8554 C CG . LEU F 3 46 ? 8.49172 -51.44767 21.23720 1.000 17.60276 ? 45 LEU B CG 1 ATOM 8555 C CD1 . LEU F 3 46 ? 7.16327 -51.62420 21.93600 1.000 20.47088 ? 45 LEU B CD1 1 ATOM 8556 C CD2 . LEU F 3 46 ? 8.62263 -52.43445 20.06790 1.000 19.96962 ? 45 LEU B CD2 1 ATOM 8557 H H . LEU F 3 46 ? 10.72971 -50.05720 21.98177 1.000 21.62640 ? 45 LEU B H 1 ATOM 8558 H HA . LEU F 3 46 ? 10.24892 -50.25896 19.38881 1.000 20.57272 ? 45 LEU B HA 1 ATOM 8559 H HB2 . LEU F 3 46 ? 8.49797 -49.42543 21.46318 1.000 21.17376 ? 45 LEU B HB2 1 ATOM 8560 H HB3 . LEU F 3 46 ? 8.02221 -49.88696 20.01887 1.000 21.17376 ? 45 LEU B HB3 1 ATOM 8561 H HG . LEU F 3 46 ? 9.18056 -51.63578 21.89371 1.000 21.12009 ? 45 LEU B HG 1 ATOM 8562 H HD11 . LEU F 3 46 ? 7.14409 -52.49519 22.36252 1.000 24.56183 ? 45 LEU B HD11 1 ATOM 8563 H HD12 . LEU F 3 46 ? 7.06210 -50.92705 22.60282 1.000 24.56183 ? 45 LEU B HD12 1 ATOM 8564 H HD13 . LEU F 3 46 ? 6.45088 -51.56104 21.28070 1.000 24.56183 ? 45 LEU B HD13 1 ATOM 8565 H HD21 . LEU F 3 46 ? 8.38968 -53.32370 20.37753 1.000 23.96031 ? 45 LEU B HD21 1 ATOM 8566 H HD22 . LEU F 3 46 ? 8.02078 -52.16347 19.35710 1.000 23.96031 ? 45 LEU B HD22 1 ATOM 8567 H HD23 . LEU F 3 46 ? 9.53820 -52.42498 19.74767 1.000 23.96031 ? 45 LEU B HD23 1 ATOM 8568 N N A GLU F 3 47 ? 9.87121 -48.00366 18.43669 0.578 16.61132 ? 46 GLU B N 1 ATOM 8569 N N B GLU F 3 47 ? 9.96395 -48.00226 18.42894 0.422 16.48542 ? 46 GLU B N 1 ATOM 8570 C CA A GLU F 3 47 ? 9.90589 -46.66891 17.85736 0.578 18.04461 ? 46 GLU B CA 1 ATOM 8571 C CA B GLU F 3 47 ? 9.89478 -46.64672 17.90243 0.422 18.00993 ? 46 GLU B CA 1 ATOM 8572 C C A GLU F 3 47 ? 8.81230 -46.55283 16.80921 0.578 17.82419 ? 46 GLU B C 1 ATOM 8573 C C B GLU F 3 47 ? 8.79007 -46.57560 16.85942 0.422 17.39387 ? 46 GLU B C 1 ATOM 8574 O O A GLU F 3 47 ? 8.77122 -47.34614 15.86681 0.578 19.33041 ? 46 GLU B O 1 ATOM 8575 O O B GLU F 3 47 ? 8.73143 -47.41556 15.96041 0.422 18.70886 ? 46 GLU B O 1 ATOM 8576 C CB A GLU F 3 47 ? 11.27637 -46.45722 17.19985 0.578 20.98913 ? 46 GLU B CB 1 ATOM 8577 C CB B GLU F 3 47 ? 11.22090 -46.22284 17.24647 0.422 22.34250 ? 46 GLU B CB 1 ATOM 8578 C CG A GLU F 3 47 ? 11.43941 -45.27130 16.30699 0.578 23.58541 ? 46 GLU B CG 1 ATOM 8579 C CG B GLU F 3 47 ? 12.44621 -46.33155 18.14248 0.422 28.02837 ? 46 GLU B CG 1 ATOM 8580 C CD A GLU F 3 47 ? 12.90524 -45.10498 15.93533 0.578 25.52306 ? 46 GLU B CD 1 ATOM 8581 C CD B GLU F 3 47 ? 13.73944 -46.18490 17.35471 0.422 32.07297 ? 46 GLU B CD 1 ATOM 8582 O OE1 A GLU F 3 47 ? 13.45382 -45.96437 15.20258 0.578 27.33240 ? 46 GLU B OE1 1 ATOM 8583 O OE1 B GLU F 3 47 ? 13.67026 -45.74948 16.18946 0.422 36.68570 ? 46 GLU B OE1 1 ATOM 8584 O OE2 A GLU F 3 47 ? 13.52235 -44.14915 16.43041 0.578 27.08624 -1 46 GLU B OE2 1 ATOM 8585 O OE2 B GLU F 3 47 ? 14.81750 -46.50940 17.89241 0.422 33.66811 -1 46 GLU B OE2 1 ATOM 8586 H H A GLU F 3 47 ? 9.69659 -48.62012 17.86302 0.578 19.93035 ? 46 GLU B H 1 ATOM 8587 H H B GLU F 3 47 ? 9.91591 -48.61620 17.82863 0.422 19.77928 ? 46 GLU B H 1 ATOM 8588 H HA A GLU F 3 47 ? 9.74433 -45.99117 18.53224 0.578 21.65030 ? 46 GLU B HA 1 ATOM 8589 H HA B GLU F 3 47 ? 9.69391 -46.03901 18.63129 0.422 21.60869 ? 46 GLU B HA 1 ATOM 8590 H HB2 A GLU F 3 47 ? 11.93414 -46.36729 17.90705 0.578 25.18372 ? 46 GLU B HB2 1 ATOM 8591 H HB2 B GLU F 3 47 ? 11.37514 -46.78788 16.47327 0.422 26.80777 ? 46 GLU B HB2 1 ATOM 8592 H HB3 A GLU F 3 47 ? 11.47197 -47.24074 16.66251 0.578 25.18372 ? 46 GLU B HB3 1 ATOM 8593 H HB3 B GLU F 3 47 ? 11.14413 -45.29619 16.97018 0.422 26.80777 ? 46 GLU B HB3 1 ATOM 8594 H HG2 A GLU F 3 47 ? 10.92376 -45.39899 15.49539 0.578 28.29926 ? 46 GLU B HG2 1 ATOM 8595 H HG2 B GLU F 3 47 ? 12.41652 -45.62925 18.81089 0.422 33.63081 ? 46 GLU B HG2 1 ATOM 8596 H HG3 A GLU F 3 47 ? 11.14097 -44.47130 16.76724 0.578 28.29926 ? 46 GLU B HG3 1 ATOM 8597 H HG3 B GLU F 3 47 ? 12.45037 -47.20028 18.57399 0.422 33.63081 ? 46 GLU B HG3 1 ATOM 8598 N N . TRP F 3 48 ? 7.93199 -45.56854 16.97048 1.000 17.09413 ? 47 TRP B N 1 ATOM 8599 C CA . TRP F 3 48 ? 6.83095 -45.39118 16.03225 1.000 15.84355 ? 47 TRP B CA 1 ATOM 8600 C C . TRP F 3 48 ? 7.33076 -44.71307 14.77368 1.000 16.16511 ? 47 TRP B C 1 ATOM 8601 O O . TRP F 3 48 ? 8.03591 -43.69957 14.82652 1.000 18.98998 ? 47 TRP B O 1 ATOM 8602 C CB . TRP F 3 48 ? 5.77638 -44.49289 16.64798 1.000 16.24244 ? 47 TRP B CB 1 ATOM 8603 C CG . TRP F 3 48 ? 4.47009 -44.31757 15.93425 1.000 14.22104 ? 47 TRP B CG 1 ATOM 8604 C CD1 . TRP F 3 48 ? 3.47878 -45.24543 15.78965 1.000 16.24273 ? 47 TRP B CD1 1 ATOM 8605 C CD2 . TRP F 3 48 ? 3.96006 -43.10032 15.37633 1.000 14.25197 ? 47 TRP B CD2 1 ATOM 8606 N NE1 . TRP F 3 48 ? 2.39741 -44.68517 15.14154 1.000 15.36317 ? 47 TRP B NE1 1 ATOM 8607 C CE2 . TRP F 3 48 ? 2.66853 -43.37088 14.88682 1.000 14.31686 ? 47 TRP B CE2 1 ATOM 8608 C CE3 . TRP F 3 48 ? 4.47298 -41.80976 15.23429 1.000 16.92541 ? 47 TRP B CE3 1 ATOM 8609 C CZ2 . TRP F 3 48 ? 1.89186 -42.39969 14.28903 1.000 16.23502 ? 47 TRP B CZ2 1 ATOM 8610 C CZ3 . TRP F 3 48 ? 3.70877 -40.85065 14.63995 1.000 16.63134 ? 47 TRP B CZ3 1 ATOM 8611 C CH2 . TRP F 3 48 ? 2.43046 -41.15031 14.15716 1.000 17.12452 ? 47 TRP B CH2 1 ATOM 8612 H H A TRP F 3 48 ? 7.95127 -44.99485 17.61088 0.578 20.50972 ? 47 TRP B H 1 ATOM 8613 H H B TRP F 3 48 ? 7.96584 -44.96883 17.58596 0.422 20.50972 ? 47 TRP B H 1 ATOM 8614 H HA . TRP F 3 48 ? 6.45467 -46.25878 15.81644 1.000 19.00903 ? 47 TRP B HA 1 ATOM 8615 H HB2 . TRP F 3 48 ? 5.56395 -44.85010 17.52444 1.000 19.48770 ? 47 TRP B HB2 1 ATOM 8616 H HB3 . TRP F 3 48 ? 6.16196 -43.60711 16.73527 1.000 19.48770 ? 47 TRP B HB3 1 ATOM 8617 H HD1 . TRP F 3 48 ? 3.52571 -46.12609 16.08483 1.000 19.48805 ? 47 TRP B HD1 1 ATOM 8618 H HE1 . TRP F 3 48 ? 1.67152 -45.09610 14.93219 1.000 18.43257 ? 47 TRP B HE1 1 ATOM 8619 H HE3 . TRP F 3 48 ? 5.32684 -41.60675 15.54189 1.000 20.30726 ? 47 TRP B HE3 1 ATOM 8620 H HZ2 . TRP F 3 48 ? 1.03284 -42.58834 13.98671 1.000 19.47880 ? 47 TRP B HZ2 1 ATOM 8621 H HZ3 . TRP F 3 48 ? 4.04115 -39.98631 14.55426 1.000 19.95438 ? 47 TRP B HZ3 1 ATOM 8622 H HH2 . TRP F 3 48 ? 1.93580 -40.48429 13.73688 1.000 20.54619 ? 47 TRP B HH2 1 ATOM 8623 N N . MET F 3 49 ? 6.93311 -45.24530 13.63188 1.000 15.79366 ? 48 MET B N 1 ATOM 8624 C CA . MET F 3 49 ? 7.30177 -44.62346 12.36514 1.000 16.13777 ? 48 MET B CA 1 ATOM 8625 C C . MET F 3 49 ? 6.19107 -43.76902 11.78364 1.000 16.11821 ? 48 MET B C 1 ATOM 8626 O O . MET F 3 49 ? 6.47757 -42.80615 11.06500 1.000 17.24750 ? 48 MET B O 1 ATOM 8627 C CB . MET F 3 49 ? 7.65005 -45.69507 11.34292 1.000 16.43438 ? 48 MET B CB 1 ATOM 8628 C CG . MET F 3 49 ? 8.80838 -46.56902 11.78634 1.000 18.50211 ? 48 MET B CG 1 ATOM 8629 S SD . MET F 3 49 ? 9.18197 -47.85297 10.60961 1.000 20.49641 ? 48 MET B SD 1 ATOM 8630 C CE . MET F 3 49 ? 10.08828 -46.89602 9.40977 1.000 21.97840 ? 48 MET B CE 1 ATOM 8631 H H . MET F 3 49 ? 6.45523 -45.95681 13.56123 1.000 18.94917 ? 48 MET B H 1 ATOM 8632 H HA . MET F 3 49 ? 8.08658 -44.07244 12.51132 1.000 19.36209 ? 48 MET B HA 1 ATOM 8633 H HB2 . MET F 3 49 ? 6.87737 -46.26546 11.20686 1.000 19.71803 ? 48 MET B HB2 1 ATOM 8634 H HB3 . MET F 3 49 ? 7.89781 -45.26742 10.50827 1.000 19.71803 ? 48 MET B HB3 1 ATOM 8635 H HG2 . MET F 3 49 ? 9.59945 -46.01766 11.89178 1.000 22.19931 ? 48 MET B HG2 1 ATOM 8636 H HG3 . MET F 3 49 ? 8.58277 -46.99041 12.63040 1.000 22.19931 ? 48 MET B HG3 1 ATOM 8637 H HE1 . MET F 3 49 ? 10.36768 -47.47908 8.68667 1.000 26.37084 ? 48 MET B HE1 1 ATOM 8638 H HE2 . MET F 3 49 ? 9.51332 -46.19461 9.06577 1.000 26.37084 ? 48 MET B HE2 1 ATOM 8639 H HE3 . MET F 3 49 ? 10.86560 -46.50571 9.83911 1.000 26.37084 ? 48 MET B HE3 1 ATOM 8640 N N . GLY F 3 50 ? 4.94758 -44.11497 12.06106 1.000 15.03878 ? 49 GLY B N 1 ATOM 8641 C CA . GLY F 3 50 ? 3.80830 -43.42818 11.49748 1.000 14.96543 ? 49 GLY B CA 1 ATOM 8642 C C . GLY F 3 50 ? 2.64472 -44.39617 11.44897 1.000 12.71218 ? 49 GLY B C 1 ATOM 8643 O O . GLY F 3 50 ? 2.74177 -45.54231 11.88564 1.000 14.13299 ? 49 GLY B O 1 ATOM 8644 H H . GLY F 3 50 ? 4.73367 -44.76112 12.58673 1.000 18.04331 ? 49 GLY B H 1 ATOM 8645 H HA2 . GLY F 3 50 ? 3.56961 -42.66463 12.04605 1.000 17.95529 ? 49 GLY B HA2 1 ATOM 8646 H HA3 . GLY F 3 50 ? 4.00983 -43.12132 10.59964 1.000 17.95529 ? 49 GLY B HA3 1 ATOM 8647 N N . GLY F 3 51 ? 1.55802 -43.92827 10.84866 1.000 14.34789 ? 50 GLY B N 1 ATOM 8648 C CA . GLY F 3 51 ? 0.37211 -44.74454 10.70756 1.000 15.05574 ? 50 GLY B CA 1 ATOM 8649 C C . GLY F 3 51 ? -0.50320 -44.24600 9.58039 1.000 14.96877 ? 50 GLY B C 1 ATOM 8650 O O . GLY F 3 51 ? -0.30212 -43.17132 9.01138 1.000 15.70849 ? 50 GLY B O 1 ATOM 8651 H H . GLY F 3 51 ? 1.48617 -43.13884 10.51513 1.000 17.21424 ? 50 GLY B H 1 ATOM 8652 H HA2 . GLY F 3 51 ? 0.62753 -45.66130 10.51991 1.000 18.06366 ? 50 GLY B HA2 1 ATOM 8653 H HA3 . GLY F 3 51 ? -0.13961 -44.72158 11.53128 1.000 18.06366 ? 50 GLY B HA3 1 ATOM 8654 N N . ILE F 3 52 ? -1.50959 -45.03817 9.29124 1.000 15.52151 ? 51 ILE B N 1 ATOM 8655 C CA . ILE F 3 52 ? -2.45749 -44.71466 8.23653 1.000 15.67529 ? 51 ILE B CA 1 ATOM 8656 C C . ILE F 3 52 ? -3.87276 -45.02023 8.69942 1.000 14.36715 ? 51 ILE B C 1 ATOM 8657 O O . ILE F 3 52 ? -4.11364 -45.99078 9.42371 1.000 15.77290 ? 51 ILE B O 1 ATOM 8658 C CB . ILE F 3 52 ? -2.10552 -45.46609 6.94192 1.000 17.94764 ? 51 ILE B CB 1 ATOM 8659 C CG1 . ILE F 3 52 ? -3.06638 -45.04841 5.81985 1.000 20.67688 ? 51 ILE B CG1 1 ATOM 8660 C CG2 . ILE F 3 52 ? -2.11910 -46.96719 7.12652 1.000 17.12670 ? 51 ILE B CG2 1 ATOM 8661 C CD1 . ILE F 3 52 ? -2.52234 -45.21983 4.46051 1.000 23.30105 ? 51 ILE B CD1 1 ATOM 8662 H H . ILE F 3 52 ? -1.67185 -45.78044 9.69412 1.000 18.62258 ? 51 ILE B H 1 ATOM 8663 H HA . ILE F 3 52 ? -2.42891 -43.76108 8.06112 1.000 18.80712 ? 51 ILE B HA 1 ATOM 8664 H HB . ILE F 3 52 ? -1.19913 -45.22026 6.69920 1.000 21.53393 ? 51 ILE B HB 1 ATOM 8665 H HG12 . ILE F 3 52 ? -3.87074 -45.58668 5.88440 1.000 24.80902 ? 51 ILE B HG12 1 ATOM 8666 H HG13 . ILE F 3 52 ? -3.28514 -44.11014 5.93257 1.000 24.80902 ? 51 ILE B HG13 1 ATOM 8667 H HG21 . ILE F 3 52 ? -1.75536 -47.38650 6.33104 1.000 20.54881 ? 51 ILE B HG21 1 ATOM 8668 H HG22 . ILE F 3 52 ? -1.57717 -47.19542 7.89796 1.000 20.54881 ? 51 ILE B HG22 1 ATOM 8669 H HG23 . ILE F 3 52 ? -3.03326 -47.25995 7.26618 1.000 20.54881 ? 51 ILE B HG23 1 ATOM 8670 H HD11 . ILE F 3 52 ? -3.15143 -44.85262 3.81995 1.000 27.95803 ? 51 ILE B HD11 1 ATOM 8671 H HD12 . ILE F 3 52 ? -1.67524 -44.75143 4.39799 1.000 27.95803 ? 51 ILE B HD12 1 ATOM 8672 H HD13 . ILE F 3 52 ? -2.39073 -46.16561 4.28998 1.000 27.95803 ? 51 ILE B HD13 1 ATOM 8673 N N . ILE F 3 53 ? -4.80484 -44.15670 8.29725 1.000 16.59006 ? 52 ILE B N 1 ATOM 8674 C CA . ILE F 3 53 ? -6.22888 -44.31481 8.59432 1.000 16.08269 ? 52 ILE B CA 1 ATOM 8675 C C . ILE F 3 53 ? -6.92632 -44.44108 7.24204 1.000 15.77056 ? 52 ILE B C 1 ATOM 8676 O O . ILE F 3 53 ? -7.30772 -43.42616 6.63343 1.000 15.49090 ? 52 ILE B O 1 ATOM 8677 C CB . ILE F 3 53 ? -6.79283 -43.13953 9.40428 1.000 16.65245 ? 52 ILE B CB 1 ATOM 8678 C CG1 . ILE F 3 53 ? -5.96757 -42.91934 10.67894 1.000 19.94953 ? 52 ILE B CG1 1 ATOM 8679 C CG2 . ILE F 3 53 ? -8.24917 -43.39439 9.71981 1.000 17.94921 ? 52 ILE B CG2 1 ATOM 8680 C CD1 . ILE F 3 53 ? -6.30259 -41.61452 11.36432 1.000 20.37815 ? 52 ILE B CD1 1 ATOM 8681 H H . ILE F 3 53 ? -4.63301 -43.45051 7.83748 1.000 19.90484 ? 52 ILE B H 1 ATOM 8682 H HA . ILE F 3 53 ? -6.37337 -45.11042 9.13006 1.000 19.29599 ? 52 ILE B HA 1 ATOM 8683 H HB . ILE F 3 53 ? -6.73106 -42.32800 8.87655 1.000 19.97970 ? 52 ILE B HB 1 ATOM 8684 H HG12 . ILE F 3 53 ? -6.14646 -43.64163 11.30119 1.000 23.93621 ? 52 ILE B HG12 1 ATOM 8685 H HG13 . ILE F 3 53 ? -5.02548 -42.90583 10.44831 1.000 23.93621 ? 52 ILE B HG13 1 ATOM 8686 H HG21 . ILE F 3 53 ? -8.55770 -42.72452 10.34987 1.000 21.53583 ? 52 ILE B HG21 1 ATOM 8687 H HG22 . ILE F 3 53 ? -8.76430 -43.33931 8.89974 1.000 21.53583 ? 52 ILE B HG22 1 ATOM 8688 H HG23 . ILE F 3 53 ? -8.33816 -44.27906 10.10755 1.000 21.53583 ? 52 ILE B HG23 1 ATOM 8689 H HD11 . ILE F 3 53 ? -5.71818 -41.50090 12.13012 1.000 24.45055 ? 52 ILE B HD11 1 ATOM 8690 H HD12 . ILE F 3 53 ? -6.17188 -40.88589 10.73749 1.000 24.45055 ? 52 ILE B HD12 1 ATOM 8691 H HD13 . ILE F 3 53 ? -7.22771 -41.63889 11.65495 1.000 24.45055 ? 52 ILE B HD13 1 ATOM 8692 N N . PRO F 3 54 ? -7.10009 -45.66443 6.72996 1.000 15.31764 ? 53 PRO B N 1 ATOM 8693 C CA . PRO F 3 54 ? -7.67359 -45.80277 5.37711 1.000 15.13616 ? 53 PRO B CA 1 ATOM 8694 C C . PRO F 3 54 ? -9.01728 -45.13531 5.20719 1.000 16.19453 ? 53 PRO B C 1 ATOM 8695 O O . PRO F 3 54 ? -9.30845 -44.60691 4.12561 1.000 17.21345 ? 53 PRO B O 1 ATOM 8696 C CB . PRO F 3 54 ? -7.73288 -47.31804 5.17401 1.000 17.88309 ? 53 PRO B CB 1 ATOM 8697 C CG . PRO F 3 54 ? -6.75939 -47.89773 6.13827 1.000 20.58370 ? 53 PRO B CG 1 ATOM 8698 C CD . PRO F 3 54 ? -6.57782 -46.94490 7.26168 1.000 17.20808 ? 53 PRO B CD 1 ATOM 8699 H HA . PRO F 3 54 ? -7.06199 -45.42414 4.72636 1.000 18.16016 ? 53 PRO B HA 1 ATOM 8700 H HB2 . PRO F 3 54 ? -8.63027 -47.63707 5.35785 1.000 21.45648 ? 53 PRO B HB2 1 ATOM 8701 H HB3 . PRO F 3 54 ? -7.48398 -47.53503 4.26194 1.000 21.45648 ? 53 PRO B HB3 1 ATOM 8702 H HG2 . PRO F 3 54 ? -7.10710 -48.74057 6.46935 1.000 24.69722 ? 53 PRO B HG2 1 ATOM 8703 H HG3 . PRO F 3 54 ? -5.91432 -48.04272 5.68468 1.000 24.69722 ? 53 PRO B HG3 1 ATOM 8704 H HD2 . PRO F 3 54 ? -7.08755 -47.22767 8.03700 1.000 20.64646 ? 53 PRO B HD2 1 ATOM 8705 H HD3 . PRO F 3 54 ? -5.63951 -46.86276 7.49346 1.000 20.64646 ? 53 PRO B HD3 1 ATOM 8706 N N . ILE F 3 55 ? -9.86581 -45.13811 6.23682 1.000 16.00317 ? 54 ILE B N 1 ATOM 8707 C CA . ILE F 3 55 ? -11.21158 -44.58075 6.07509 1.000 16.51283 ? 54 ILE B CA 1 ATOM 8708 C C . ILE F 3 55 ? -11.16853 -43.08003 5.80208 1.000 16.26232 ? 54 ILE B C 1 ATOM 8709 O O . ILE F 3 55 ? -12.12068 -42.52868 5.26181 1.000 16.74683 ? 54 ILE B O 1 ATOM 8710 C CB . ILE F 3 55 ? -12.12884 -44.97230 7.25502 1.000 17.42134 ? 54 ILE B CB 1 ATOM 8711 C CG1 . ILE F 3 55 ? -13.60244 -44.91457 6.81351 1.000 19.34329 ? 54 ILE B CG1 1 ATOM 8712 C CG2 . ILE F 3 55 ? -11.88496 -44.05313 8.44627 1.000 18.86971 ? 54 ILE B CG2 1 ATOM 8713 C CD1 . ILE F 3 55 ? -14.53837 -45.72321 7.65872 1.000 20.87092 ? 54 ILE B CD1 1 ATOM 8714 H H . ILE F 3 55 ? -9.69242 -45.44852 7.01988 1.000 19.20057 ? 54 ILE B H 1 ATOM 8715 H HA . ILE F 3 55 ? -11.62064 -44.98449 5.29371 1.000 19.81216 ? 54 ILE B HA 1 ATOM 8716 H HB . ILE F 3 55 ? -11.92085 -45.88034 7.52540 1.000 20.90238 ? 54 ILE B HB 1 ATOM 8717 H HG12 . ILE F 3 55 ? -13.89940 -43.99183 6.84902 1.000 23.20872 ? 54 ILE B HG12 1 ATOM 8718 H HG13 . ILE F 3 55 ? -13.66583 -45.24876 5.90511 1.000 23.20872 ? 54 ILE B HG13 1 ATOM 8719 H HG21 . ILE F 3 55 ? -12.35472 -44.40542 9.21835 1.000 22.64042 ? 54 ILE B HG21 1 ATOM 8720 H HG22 . ILE F 3 55 ? -10.93264 -44.01626 8.62694 1.000 22.64042 ? 54 ILE B HG22 1 ATOM 8721 H HG23 . ILE F 3 55 ? -12.21592 -43.16641 8.23392 1.000 22.64042 ? 54 ILE B HG23 1 ATOM 8722 H HD11 . ILE F 3 55 ? -15.42589 -45.68857 7.26882 1.000 25.04187 ? 54 ILE B HD11 1 ATOM 8723 H HD12 . ILE F 3 55 ? -14.22523 -46.64082 7.68730 1.000 25.04187 ? 54 ILE B HD12 1 ATOM 8724 H HD13 . ILE F 3 55 ? -14.55590 -45.35162 8.55455 1.000 25.04187 ? 54 ILE B HD13 1 ATOM 8725 N N . PHE F 3 56 ? -10.08163 -42.39854 6.16525 1.000 16.12854 ? 55 PHE B N 1 ATOM 8726 C CA . PHE F 3 56 ? -9.90514 -40.99634 5.84784 1.000 16.21020 ? 55 PHE B CA 1 ATOM 8727 C C . PHE F 3 56 ? -8.96801 -40.78243 4.66324 1.000 17.18591 ? 55 PHE B C 1 ATOM 8728 O O . PHE F 3 56 ? -8.87393 -39.65654 4.16122 1.000 18.47394 ? 55 PHE B O 1 ATOM 8729 C CB . PHE F 3 56 ? -9.26484 -40.24654 7.02263 1.000 16.85201 ? 55 PHE B CB 1 ATOM 8730 C CG . PHE F 3 56 ? -10.11346 -40.09695 8.25857 1.000 18.47625 ? 55 PHE B CG 1 ATOM 8731 C CD1 . PHE F 3 56 ? -11.49227 -40.22025 8.25204 1.000 19.81428 ? 55 PHE B CD1 1 ATOM 8732 C CD2 . PHE F 3 56 ? -9.48969 -39.79478 9.43781 1.000 18.13675 ? 55 PHE B CD2 1 ATOM 8733 C CE1 . PHE F 3 56 ? -12.22731 -40.05576 9.43063 1.000 20.43982 ? 55 PHE B CE1 1 ATOM 8734 C CE2 . PHE F 3 56 ? -10.21704 -39.61939 10.60700 1.000 19.36269 ? 55 PHE B CE2 1 ATOM 8735 C CZ . PHE F 3 56 ? -11.57583 -39.74317 10.58233 1.000 20.68420 ? 55 PHE B CZ 1 ATOM 8736 H H . PHE F 3 56 ? -9.42484 -42.73888 6.60388 1.000 19.35101 ? 55 PHE B H 1 ATOM 8737 H HA . PHE F 3 56 ? -10.78331 -40.62719 5.66495 1.000 19.44901 ? 55 PHE B HA 1 ATOM 8738 H HB2 . PHE F 3 56 ? -8.46157 -40.72342 7.28386 1.000 20.21918 ? 55 PHE B HB2 1 ATOM 8739 H HB3 . PHE F 3 56 ? -9.03722 -39.35261 6.72269 1.000 20.21918 ? 55 PHE B HB3 1 ATOM 8740 H HD1 . PHE F 3 56 ? -11.93383 -40.41420 7.45686 1.000 23.77390 ? 55 PHE B HD1 1 ATOM 8741 H HD2 . PHE F 3 56 ? -8.56418 -39.70549 9.45652 1.000 21.76087 ? 55 PHE B HD2 1 ATOM 8742 H HE1 . PHE F 3 56 ? -13.15154 -40.15907 9.42653 1.000 24.52455 ? 55 PHE B HE1 1 ATOM 8743 H HE2 . PHE F 3 56 ? -9.78050 -39.41851 11.40322 1.000 23.23199 ? 55 PHE B HE2 1 ATOM 8744 H HZ . PHE F 3 56 ? -12.06272 -39.61196 11.36375 1.000 24.81781 ? 55 PHE B HZ 1 ATOM 8745 N N . GLY F 3 57 ? -8.22561 -41.80812 4.26594 1.000 17.77157 ? 56 GLY B N 1 ATOM 8746 C CA . GLY F 3 57 ? -7.23556 -41.66008 3.22595 1.000 19.34567 ? 56 GLY B CA 1 ATOM 8747 C C . GLY F 3 57 ? -6.03987 -40.82370 3.61618 1.000 19.45150 ? 56 GLY B C 1 ATOM 8748 O O . GLY F 3 57 ? -5.39033 -40.23763 2.73711 1.000 22.38362 ? 56 GLY B O 1 ATOM 8749 H H . GLY F 3 57 ? -8.28048 -42.60346 4.58847 1.000 21.32265 ? 56 GLY B H 1 ATOM 8750 H HA2 . GLY F 3 57 ? -6.91371 -42.53960 2.97345 1.000 23.21157 ? 56 GLY B HA2 1 ATOM 8751 H HA3 . GLY F 3 57 ? -7.65171 -41.24288 2.45546 1.000 23.21157 ? 56 GLY B HA3 1 ATOM 8752 N N . THR F 3 58 ? -5.68538 -40.80398 4.89654 1.000 18.52927 ? 57 THR B N 1 ATOM 8753 C CA . THR F 3 58 ? -4.62825 -39.95732 5.41886 1.000 20.35899 ? 57 THR B CA 1 ATOM 8754 C C . THR F 3 58 ? -3.60695 -40.80146 6.16867 1.000 19.83538 ? 57 THR B C 1 ATOM 8755 O O . THR F 3 58 ? -3.94080 -41.82669 6.77888 1.000 21.64143 ? 57 THR B O 1 ATOM 8756 C CB . THR F 3 58 ? -5.17503 -38.89330 6.39690 1.000 22.18502 ? 57 THR B CB 1 ATOM 8757 O OG1 . THR F 3 58 ? -5.87736 -39.54006 7.46020 1.000 23.49074 ? 57 THR B OG1 1 ATOM 8758 C CG2 . THR F 3 58 ? -6.08529 -37.89426 5.69545 1.000 24.02595 ? 57 THR B CG2 1 ATOM 8759 H H . THR F 3 58 ? -6.05752 -41.29031 5.50036 1.000 22.23189 ? 57 THR B H 1 ATOM 8760 H HA . THR F 3 58 ? -4.19393 -39.51553 4.67247 1.000 24.42756 ? 57 THR B HA 1 ATOM 8761 H HB . THR F 3 58 ? -4.43191 -38.38787 6.76188 1.000 26.61880 ? 57 THR B HB 1 ATOM 8762 H HG1 . THR F 3 58 ? -6.39765 -38.99633 7.83338 1.000 28.18566 ? 57 THR B HG1 1 ATOM 8763 H HG21 . THR F 3 58 ? -6.48714 -37.29776 6.34631 1.000 28.82790 ? 57 THR B HG21 1 ATOM 8764 H HG22 . THR F 3 58 ? -5.57408 -37.36875 5.06031 1.000 28.82790 ? 57 THR B HG22 1 ATOM 8765 H HG23 . THR F 3 58 ? -6.78962 -38.36326 5.22127 1.000 28.82790 ? 57 THR B HG23 1 ATOM 8766 N N . ALA F 3 59 ? -2.34795 -40.36692 6.10076 1.000 17.91344 ? 58 ALA B N 1 ATOM 8767 C CA . ALA F 3 59 ? -1.26475 -40.98828 6.85592 1.000 16.62762 ? 58 ALA B CA 1 ATOM 8768 C C . ALA F 3 59 ? -0.57272 -39.93797 7.71253 1.000 16.00645 ? 58 ALA B C 1 ATOM 8769 O O . ALA F 3 59 ? -0.57449 -38.74331 7.38871 1.000 18.67781 ? 58 ALA B O 1 ATOM 8770 C CB . ALA F 3 59 ? -0.22948 -41.64856 5.91556 1.000 19.14761 ? 58 ALA B CB 1 ATOM 8771 H H . ALA F 3 59 ? -2.09494 -39.70321 5.61592 1.000 21.49290 ? 58 ALA B H 1 ATOM 8772 H HA . ALA F 3 59 ? -1.62781 -41.67416 7.43785 1.000 19.94992 ? 58 ALA B HA 1 ATOM 8773 H HB1 . ALA F 3 59 ? 0.44538 -42.09362 6.45163 1.000 22.97391 ? 58 ALA B HB1 1 ATOM 8774 H HB2 . ALA F 3 59 ? -0.68238 -42.29437 5.35101 1.000 22.97391 ? 58 ALA B HB2 1 ATOM 8775 H HB3 . ALA F 3 59 ? 0.18272 -40.96215 5.36799 1.000 22.97391 ? 58 ALA B HB3 1 ATOM 8776 N N . ASN F 3 60 ? 0.00558 -40.39819 8.82024 1.000 15.67247 ? 59 ASN B N 1 ATOM 8777 C CA . ASN F 3 60 ? 0.68425 -39.56344 9.78863 1.000 18.37563 ? 59 ASN B CA 1 ATOM 8778 C C . ASN F 3 60 ? 2.08141 -40.12920 9.91001 1.000 15.63604 ? 59 ASN B C 1 ATOM 8779 O O . ASN F 3 60 ? 2.24589 -41.34228 9.94361 1.000 17.97730 ? 59 ASN B O 1 ATOM 8780 C CB . ASN F 3 60 ? -0.00764 -39.66314 11.14223 1.000 20.89324 ? 59 ASN B CB 1 ATOM 8781 C CG . ASN F 3 60 ? -1.48808 -39.36249 11.04515 1.000 22.34169 ? 59 ASN B CG 1 ATOM 8782 O OD1 . ASN F 3 60 ? -2.32868 -40.26411 11.15613 1.000 24.66131 ? 59 ASN B OD1 1 ATOM 8783 N ND2 . ASN F 3 60 ? -1.81543 -38.10567 10.81194 1.000 25.61861 ? 59 ASN B ND2 1 ATOM 8784 H H . ASN F 3 60 ? 0.01440 -41.23059 9.03621 1.000 18.80373 ? 59 ASN B H 1 ATOM 8785 H HA . ASN F 3 60 ? 0.70375 -38.63090 9.52236 1.000 22.04753 ? 59 ASN B HA 1 ATOM 8786 H HB2 . ASN F 3 60 ? 0.09695 -40.56315 11.48855 1.000 25.06866 ? 59 ASN B HB2 1 ATOM 8787 H HB3 . ASN F 3 60 ? 0.39215 -39.02417 11.75280 1.000 25.06866 ? 59 ASN B HB3 1 ATOM 8788 H HD21 . ASN F 3 60 ? -1.20094 -37.51045 10.72415 1.000 30.73910 ? 59 ASN B HD21 1 ATOM 8789 H HD22 . ASN F 3 60 ? -2.64329 -37.88176 10.74772 1.000 30.73910 ? 59 ASN B HD22 1 ATOM 8790 N N . TYR F 3 61 ? 3.08143 -39.26797 10.00191 1.000 16.83170 ? 60 TYR B N 1 ATOM 8791 C CA . TYR F 3 61 ? 4.44388 -39.74661 10.08766 1.000 17.63974 ? 60 TYR B CA 1 ATOM 8792 C C . TYR F 3 61 ? 5.18701 -39.16628 11.27856 1.000 16.75548 ? 60 TYR B C 1 ATOM 8793 O O . TYR F 3 61 ? 4.93675 -38.04238 11.71871 1.000 19.75186 ? 60 TYR B O 1 ATOM 8794 C CB . TYR F 3 61 ? 5.21350 -39.39432 8.83024 1.000 17.09510 ? 60 TYR B CB 1 ATOM 8795 C CG . TYR F 3 61 ? 4.67317 -40.09006 7.61235 1.000 17.32472 ? 60 TYR B CG 1 ATOM 8796 C CD1 . TYR F 3 61 ? 4.91538 -41.43612 7.41408 1.000 18.36066 ? 60 TYR B CD1 1 ATOM 8797 C CD2 . TYR F 3 61 ? 3.89288 -39.41458 6.67744 1.000 17.81115 ? 60 TYR B CD2 1 ATOM 8798 C CE1 . TYR F 3 61 ? 4.42298 -42.09809 6.28226 1.000 18.50626 ? 60 TYR B CE1 1 ATOM 8799 C CE2 . TYR F 3 61 ? 3.39309 -40.05662 5.56591 1.000 17.01106 ? 60 TYR B CE2 1 ATOM 8800 C CZ . TYR F 3 61 ? 3.65819 -41.39591 5.37139 1.000 16.78727 ? 60 TYR B CZ 1 ATOM 8801 O OH . TYR F 3 61 ? 3.17885 -42.07152 4.28156 1.000 18.35707 ? 60 TYR B OH 1 ATOM 8802 H H . TYR F 3 61 ? 2.99382 -38.41256 10.01609 1.000 20.19481 ? 60 TYR B H 1 ATOM 8803 H HA . TYR F 3 61 ? 4.41143 -40.70778 10.21417 1.000 21.16446 ? 60 TYR B HA 1 ATOM 8804 H HB2 . TYR F 3 61 ? 5.15621 -38.43754 8.68128 1.000 20.51089 ? 60 TYR B HB2 1 ATOM 8805 H HB3 . TYR F 3 61 ? 6.14034 -39.65780 8.94175 1.000 20.51089 ? 60 TYR B HB3 1 ATOM 8806 H HD1 . TYR F 3 61 ? 5.41267 -41.90940 8.04146 1.000 22.02956 ? 60 TYR B HD1 1 ATOM 8807 H HD2 . TYR F 3 61 ? 3.70562 -38.51274 6.80595 1.000 21.37015 ? 60 TYR B HD2 1 ATOM 8808 H HE1 . TYR F 3 61 ? 4.60866 -42.99909 6.14577 1.000 22.20428 ? 60 TYR B HE1 1 ATOM 8809 H HE2 . TYR F 3 61 ? 2.87857 -39.58844 4.94868 1.000 20.41004 ? 60 TYR B HE2 1 ATOM 8810 H HH . TYR F 3 61 ? 2.94150 -41.52706 3.68756 1.000 22.02526 ? 60 TYR B HH 1 ATOM 8811 N N . ALA F 3 62 ? 6.10869 -39.96875 11.79276 1.000 17.13953 ? 61 ALA B N 1 ATOM 8812 C CA . ALA F 3 62 ? 7.09544 -39.45307 12.72546 1.000 18.40541 ? 61 ALA B CA 1 ATOM 8813 C C . ALA F 3 62 ? 8.12186 -38.62544 11.95537 1.000 18.99786 ? 61 ALA B C 1 ATOM 8814 O O . ALA F 3 62 ? 8.53686 -38.99368 10.85217 1.000 19.48708 ? 61 ALA B O 1 ATOM 8815 C CB . ALA F 3 62 ? 7.79995 -40.60633 13.41407 1.000 18.69071 ? 61 ALA B CB 1 ATOM 8816 H H . ALA F 3 62 ? 6.18289 -40.80772 11.61889 1.000 20.56420 ? 61 ALA B H 1 ATOM 8817 H HA . ALA F 3 62 ? 6.66934 -38.90141 13.40000 1.000 22.08326 ? 61 ALA B HA 1 ATOM 8818 H HB1 . ALA F 3 62 ? 8.43528 -40.25082 14.05506 1.000 22.42563 ? 61 ALA B HB1 1 ATOM 8819 H HB2 . ALA F 3 62 ? 7.14045 -41.15231 13.87000 1.000 22.42563 ? 61 ALA B HB2 1 ATOM 8820 H HB3 . ALA F 3 62 ? 8.26417 -41.13622 12.74728 1.000 22.42563 ? 61 ALA B HB3 1 ATOM 8821 N N . GLN F 3 63 ? 8.52030 -37.49303 12.53443 1.000 19.74504 ? 62 GLN B N 1 ATOM 8822 C CA . GLN F 3 63 ? 9.42769 -36.58205 11.84328 1.000 23.86966 ? 62 GLN B CA 1 ATOM 8823 C C . GLN F 3 63 ? 10.72197 -37.27823 11.44671 1.000 23.11534 ? 62 GLN B C 1 ATOM 8824 O O . GLN F 3 63 ? 11.30295 -36.95777 10.40533 1.000 24.73554 ? 62 GLN B O 1 ATOM 8825 C CB . GLN F 3 63 ? 9.71669 -35.36495 12.72600 1.000 29.95960 ? 62 GLN B CB 1 ATOM 8826 C CG . GLN F 3 63 ? 10.45004 -34.24565 11.96690 1.000 35.53959 ? 62 GLN B CG 1 ATOM 8827 C CD . GLN F 3 63 ? 11.96221 -34.42848 11.94418 1.000 40.96913 ? 62 GLN B CD 1 ATOM 8828 O OE1 . GLN F 3 63 ? 12.53693 -35.08533 12.81276 1.000 41.47566 ? 62 GLN B OE1 1 ATOM 8829 N NE2 . GLN F 3 63 ? 12.61647 -33.83962 10.94147 1.000 42.07197 ? 62 GLN B NE2 1 ATOM 8830 H H . GLN F 3 63 ? 8.28229 -37.23181 13.31847 1.000 23.69082 ? 62 GLN B H 1 ATOM 8831 H HA . GLN F 3 63 ? 9.00130 -36.26600 11.03137 1.000 28.64036 ? 62 GLN B HA 1 ATOM 8832 H HB2 . GLN F 3 63 ? 8.87758 -35.00617 13.05474 1.000 35.94828 ? 62 GLN B HB2 1 ATOM 8833 H HB3 . GLN F 3 63 ? 10.27454 -35.63944 13.47055 1.000 35.94828 ? 62 GLN B HB3 1 ATOM 8834 H HG2 . GLN F 3 63 ? 10.13754 -34.23123 11.04873 1.000 42.64427 ? 62 GLN B HG2 1 ATOM 8835 H HG3 . GLN F 3 63 ? 10.25864 -33.39697 12.39585 1.000 42.64427 ? 62 GLN B HG3 1 ATOM 8836 H HE21 . GLN F 3 63 ? 12.18323 -33.38669 10.35260 1.000 50.48314 ? 62 GLN B HE21 1 ATOM 8837 H HE22 . GLN F 3 63 ? 13.47140 -33.91299 10.88403 1.000 50.48314 ? 62 GLN B HE22 1 ATOM 8838 N N . LYS F 3 64 ? 11.15470 -38.26673 12.23769 1.000 23.96989 ? 63 LYS B N 1 ATOM 8839 C CA . LYS F 3 64 ? 12.40196 -38.97713 11.97062 1.000 24.47830 ? 63 LYS B CA 1 ATOM 8840 C C . LYS F 3 64 ? 12.38625 -39.68057 10.61409 1.000 24.58949 ? 63 LYS B C 1 ATOM 8841 O O . LYS F 3 64 ? 13.45143 -39.89607 10.02314 1.000 26.09852 ? 63 LYS B O 1 ATOM 8842 C CB . LYS F 3 64 ? 12.62234 -39.98846 13.10222 1.000 25.16950 ? 63 LYS B CB 1 ATOM 8843 C CG . LYS F 3 64 ? 13.85814 -40.86648 12.96802 1.000 28.94019 ? 63 LYS B CG 1 ATOM 8844 C CD . LYS F 3 64 ? 14.13791 -41.65934 14.25676 1.000 29.64040 ? 63 LYS B CD 1 ATOM 8845 C CE . LYS F 3 64 ? 15.31982 -42.59564 14.03966 1.000 30.78929 ? 63 LYS B CE 1 ATOM 8846 N NZ . LYS F 3 64 ? 15.75996 -43.30661 15.27137 1.000 31.58429 ? 63 LYS B NZ 1 ATOM 8847 H H A LYS F 3 64 ? 10.74071 -38.54484 12.93831 0.550 28.76064 ? 63 LYS B H 1 ATOM 8848 H H B LYS F 3 64 ? 10.74071 -38.54484 12.93831 0.450 28.76064 ? 63 LYS B H 1 ATOM 8849 H HA . LYS F 3 64 ? 13.14107 -38.34931 11.94950 1.000 29.37073 ? 63 LYS B HA 1 ATOM 8850 H HB2 . LYS F 3 64 ? 12.70527 -39.49953 13.93587 1.000 30.20017 ? 63 LYS B HB2 1 ATOM 8851 H HB3 . LYS F 3 64 ? 11.85266 -40.57769 13.13835 1.000 30.20017 ? 63 LYS B HB3 1 ATOM 8852 H HG2 . LYS F 3 64 ? 13.72440 -41.49930 12.24515 1.000 34.72499 ? 63 LYS B HG2 1 ATOM 8853 H HG3 . LYS F 3 64 ? 14.62905 -40.30801 12.78168 1.000 34.72499 ? 63 LYS B HG3 1 ATOM 8854 H HD2 . LYS F 3 64 ? 14.35294 -41.04740 14.97800 1.000 35.56525 ? 63 LYS B HD2 1 ATOM 8855 H HD3 . LYS F 3 64 ? 13.35962 -42.18851 14.49160 1.000 35.56525 ? 63 LYS B HD3 1 ATOM 8856 H HE2 . LYS F 3 64 ? 15.07013 -43.26661 13.38517 1.000 36.94392 ? 63 LYS B HE2 1 ATOM 8857 H HE3 . LYS F 3 64 ? 16.07225 -42.07771 13.71333 1.000 36.94392 ? 63 LYS B HE3 1 ATOM 8858 H HZ1 . LYS F 3 64 ? 16.45083 -43.83640 15.08661 1.000 37.89792 ? 63 LYS B HZ1 1 ATOM 8859 H HZ2 . LYS F 3 64 ? 16.00554 -42.71746 15.89161 1.000 37.89792 ? 63 LYS B HZ2 1 ATOM 8860 H HZ3 . LYS F 3 64 ? 15.09351 -43.80210 15.59144 1.000 37.89792 ? 63 LYS B HZ3 1 ATOM 8861 N N . PHE F 3 65 ? 11.20045 -40.04038 10.10154 1.000 21.36824 ? 64 PHE B N 1 ATOM 8862 C CA . PHE F 3 65 ? 11.07084 -40.82203 8.88068 1.000 20.78332 ? 64 PHE B CA 1 ATOM 8863 C C . PHE F 3 65 ? 10.34434 -40.06917 7.77025 1.000 20.58591 ? 64 PHE B C 1 ATOM 8864 O O . PHE F 3 65 ? 10.24543 -40.58517 6.63818 1.000 22.62464 ? 64 PHE B O 1 ATOM 8865 C CB . PHE F 3 65 ? 10.35367 -42.13829 9.19798 1.000 20.99836 ? 64 PHE B CB 1 ATOM 8866 C CG . PHE F 3 65 ? 11.07067 -42.94488 10.23409 1.000 20.51179 ? 64 PHE B CG 1 ATOM 8867 C CD1 . PHE F 3 65 ? 12.27691 -43.57415 9.92220 1.000 20.86473 ? 64 PHE B CD1 1 ATOM 8868 C CD2 . PHE F 3 65 ? 10.58603 -43.03908 11.53144 1.000 21.01364 ? 64 PHE B CD2 1 ATOM 8869 C CE1 . PHE F 3 65 ? 12.96433 -44.29567 10.88002 1.000 21.38102 ? 64 PHE B CE1 1 ATOM 8870 C CE2 . PHE F 3 65 ? 11.25638 -43.75989 12.48667 1.000 21.25515 ? 64 PHE B CE2 1 ATOM 8871 C CZ . PHE F 3 65 ? 12.45978 -44.39188 12.16567 1.000 20.96890 ? 64 PHE B CZ 1 ATOM 8872 H H . PHE F 3 65 ? 10.44440 -39.83535 10.45644 1.000 25.63865 ? 64 PHE B H 1 ATOM 8873 H HA . PHE F 3 65 ? 11.95064 -41.04375 8.53761 1.000 24.93676 ? 64 PHE B HA 1 ATOM 8874 H HB2 . PHE F 3 65 ? 9.46402 -41.94207 9.53104 1.000 25.19480 ? 64 PHE B HB2 1 ATOM 8875 H HB3 . PHE F 3 65 ? 10.29519 -42.67026 8.38897 1.000 25.19480 ? 64 PHE B HB3 1 ATOM 8876 H HD1 . PHE F 3 65 ? 12.62165 -43.50729 9.06105 1.000 25.03444 ? 64 PHE B HD1 1 ATOM 8877 H HD2 . PHE F 3 65 ? 9.79412 -42.60654 11.75657 1.000 25.21314 ? 64 PHE B HD2 1 ATOM 8878 H HE1 . PHE F 3 65 ? 13.76460 -44.71587 10.66117 1.000 25.65399 ? 64 PHE B HE1 1 ATOM 8879 H HE2 . PHE F 3 65 ? 10.90997 -43.82771 13.34707 1.000 25.50295 ? 64 PHE B HE2 1 ATOM 8880 H HZ . PHE F 3 65 ? 12.92033 -44.87541 12.81296 1.000 25.15945 ? 64 PHE B HZ 1 ATOM 8881 N N . GLN F 3 66 ? 9.86775 -38.85607 8.04388 1.000 22.38929 ? 65 GLN B N 1 ATOM 8882 C CA . GLN F 3 66 ? 9.11812 -38.09689 7.05519 1.000 24.06138 ? 65 GLN B CA 1 ATOM 8883 C C . GLN F 3 66 ? 9.91713 -37.96736 5.76906 1.000 23.90103 ? 65 GLN B C 1 ATOM 8884 O O . GLN F 3 66 ? 11.08569 -37.55653 5.78232 1.000 26.16088 ? 65 GLN B O 1 ATOM 8885 C CB . GLN F 3 66 ? 8.82168 -36.69852 7.60920 1.000 28.55858 ? 65 GLN B CB 1 ATOM 8886 C CG . GLN F 3 66 ? 8.28808 -35.74003 6.55289 1.000 32.58055 ? 65 GLN B CG 1 ATOM 8887 C CD . GLN F 3 66 ? 6.91054 -36.13526 6.08818 1.000 38.95041 ? 65 GLN B CD 1 ATOM 8888 O OE1 . GLN F 3 66 ? 6.05267 -36.38697 6.92505 1.000 38.01770 ? 65 GLN B OE1 1 ATOM 8889 N NE2 . GLN F 3 66 ? 6.68210 -36.19450 4.76067 1.000 37.81524 ? 65 GLN B NE2 1 ATOM 8890 H H . GLN F 3 66 ? 9.96657 -38.45217 8.79668 1.000 26.86391 ? 65 GLN B H 1 ATOM 8891 H HA . GLN F 3 66 ? 8.28244 -38.55026 6.86285 1.000 28.87042 ? 65 GLN B HA 1 ATOM 8892 H HB2 . GLN F 3 66 ? 8.15521 -36.77257 8.31008 1.000 34.26706 ? 65 GLN B HB2 1 ATOM 8893 H HB3 . GLN F 3 66 ? 9.64045 -36.32233 7.96836 1.000 34.26706 ? 65 GLN B HB3 1 ATOM 8894 H HG2 . GLN F 3 66 ? 8.23857 -34.84644 6.92699 1.000 39.09343 ? 65 GLN B HG2 1 ATOM 8895 H HG3 . GLN F 3 66 ? 8.88169 -35.74611 5.78576 1.000 39.09343 ? 65 GLN B HG3 1 ATOM 8896 H HE21 . GLN F 3 66 ? 7.31362 -36.00945 4.20700 1.000 45.37506 ? 65 GLN B HE21 1 ATOM 8897 H HE22 . GLN F 3 66 ? 5.90489 -36.41733 4.46761 1.000 45.37506 ? 65 GLN B HE22 1 ATOM 8898 N N . GLY F 3 67 ? 9.26625 -38.29923 4.65603 1.000 23.61846 ? 66 GLY B N 1 ATOM 8899 C CA . GLY F 3 67 ? 9.84901 -38.14478 3.35299 1.000 23.38510 ? 66 GLY B CA 1 ATOM 8900 C C . GLY F 3 67 ? 10.69163 -39.30976 2.89271 1.000 22.83897 ? 66 GLY B C 1 ATOM 8901 O O . GLY F 3 67 ? 11.04229 -39.38240 1.70193 1.000 24.04785 ? 66 GLY B O 1 ATOM 8902 H H . GLY F 3 67 ? 8.46919 -38.62189 4.64258 1.000 28.33893 ? 66 GLY B H 1 ATOM 8903 H HA2 . GLY F 3 67 ? 9.13633 -38.02149 2.70663 1.000 28.05889 ? 66 GLY B HA2 1 ATOM 8904 H HA3 . GLY F 3 67 ? 10.41242 -37.35518 3.35631 1.000 28.05889 ? 66 GLY B HA3 1 ATOM 8905 N N . ARG F 3 68 ? 11.03086 -40.22289 3.78578 1.000 21.00777 ? 67 ARG B N 1 ATOM 8906 C CA . ARG F 3 68 ? 11.77236 -41.42952 3.43832 1.000 20.24147 ? 67 ARG B CA 1 ATOM 8907 C C . ARG F 3 68 ? 10.91828 -42.68100 3.53204 1.000 18.69899 ? 67 ARG B C 1 ATOM 8908 O O . ARG F 3 68 ? 11.10609 -43.61839 2.74285 1.000 20.13752 ? 67 ARG B O 1 ATOM 8909 C CB . ARG F 3 68 ? 12.99088 -41.56980 4.36538 1.000 22.47180 ? 67 ARG B CB 1 ATOM 8910 C CG . ARG F 3 68 ? 13.98654 -42.57062 3.89441 1.000 22.33197 ? 67 ARG B CG 1 ATOM 8911 C CD . ARG F 3 68 ? 15.32825 -42.42732 4.63512 1.000 21.02458 ? 67 ARG B CD 1 ATOM 8912 N NE . ARG F 3 68 ? 15.27559 -42.77869 6.05220 1.000 21.67687 ? 67 ARG B NE 1 ATOM 8913 C CZ . ARG F 3 68 ? 15.67869 -43.93675 6.54760 1.000 21.46693 ? 67 ARG B CZ 1 ATOM 8914 N NH1 . ARG F 3 68 ? 16.05273 -44.93328 5.75897 1.000 22.83028 ? 67 ARG B NH1 1 ATOM 8915 N NH2 . ARG F 3 68 ? 15.70885 -44.10093 7.87381 1.000 21.12613 ? 67 ARG B NH2 1 ATOM 8916 H H . ARG F 3 68 ? 10.83965 -40.16818 4.62246 1.000 25.20609 ? 67 ARG B H 1 ATOM 8917 H HA . ARG F 3 68 ? 12.10620 -41.36597 2.52979 1.000 24.28654 ? 67 ARG B HA 1 ATOM 8918 H HB2 . ARG F 3 68 ? 13.43849 -40.71131 4.42488 1.000 26.96293 ? 67 ARG B HB2 1 ATOM 8919 H HB3 . ARG F 3 68 ? 12.68507 -41.84606 5.24348 1.000 26.96293 ? 67 ARG B HB3 1 ATOM 8920 H HG2 . ARG F 3 68 ? 13.64416 -43.46389 4.05485 1.000 26.79513 ? 67 ARG B HG2 1 ATOM 8921 H HG3 . ARG F 3 68 ? 14.14694 -42.44212 2.94643 1.000 26.79513 ? 67 ARG B HG3 1 ATOM 8922 H HD2 . ARG F 3 68 ? 15.97909 -43.00971 4.21306 1.000 25.22627 ? 67 ARG B HD2 1 ATOM 8923 H HD3 . ARG F 3 68 ? 15.61958 -41.50419 4.57300 1.000 25.22627 ? 67 ARG B HD3 1 ATOM 8924 H HE . ARG F 3 68 ? 14.96205 -42.19444 6.59988 1.000 26.00902 ? 67 ARG B HE 1 ATOM 8925 H HH11 . ARG F 3 68 ? 16.31163 -45.67857 6.10121 1.000 27.39310 ? 67 ARG B HH11 1 ATOM 8926 H HH12 . ARG F 3 68 ? 16.03666 -44.83494 4.90477 1.000 27.39310 ? 67 ARG B HH12 1 ATOM 8927 H HH21 . ARG F 3 68 ? 15.96897 -44.84913 8.20866 1.000 25.34813 ? 67 ARG B HH21 1 ATOM 8928 H HH22 . ARG F 3 68 ? 15.46814 -43.45835 8.39222 1.000 25.34813 ? 67 ARG B HH22 1 ATOM 8929 N N . VAL F 3 69 ? 9.97005 -42.70655 4.45940 1.000 18.65948 ? 68 VAL B N 1 ATOM 8930 C CA . VAL F 3 69 ? 9.01525 -43.79176 4.55877 1.000 17.57452 ? 68 VAL B CA 1 ATOM 8931 C C . VAL F 3 69 ? 7.71028 -43.34675 3.91489 1.000 17.21731 ? 68 VAL B C 1 ATOM 8932 O O . VAL F 3 69 ? 7.33965 -42.16285 3.92998 1.000 18.80284 ? 68 VAL B O 1 ATOM 8933 C CB . VAL F 3 69 ? 8.81037 -44.21704 6.02663 1.000 18.53014 ? 68 VAL B CB 1 ATOM 8934 C CG1 . VAL F 3 69 ? 7.99411 -43.18444 6.78054 1.000 20.40780 ? 68 VAL B CG1 1 ATOM 8935 C CG2 . VAL F 3 69 ? 8.16492 -45.59284 6.10460 1.000 18.62726 ? 68 VAL B CG2 1 ATOM 8936 H H . VAL F 3 69 ? 9.86050 -42.09304 5.05202 1.000 22.38815 ? 68 VAL B H 1 ATOM 8937 H HA . VAL F 3 69 ? 9.34412 -44.56194 4.06930 1.000 21.08620 ? 68 VAL B HA 1 ATOM 8938 H HB . VAL F 3 69 ? 9.67815 -44.27391 6.45630 1.000 22.23294 ? 68 VAL B HB 1 ATOM 8939 H HG11 . VAL F 3 69 ? 8.04878 -43.37113 7.73083 1.000 24.48613 ? 68 VAL B HG11 1 ATOM 8940 H HG12 . VAL F 3 69 ? 8.35246 -42.30223 6.59560 1.000 24.48613 ? 68 VAL B HG12 1 ATOM 8941 H HG13 . VAL F 3 69 ? 7.07128 -43.23502 6.48605 1.000 24.48613 ? 68 VAL B HG13 1 ATOM 8942 H HG21 . VAL F 3 69 ? 8.05601 -45.83820 7.03671 1.000 22.34948 ? 68 VAL B HG21 1 ATOM 8943 H HG22 . VAL F 3 69 ? 7.29949 -45.56087 5.66767 1.000 22.34948 ? 68 VAL B HG22 1 ATOM 8944 H HG23 . VAL F 3 69 ? 8.73741 -46.23602 5.65797 1.000 22.34948 ? 68 VAL B HG23 1 ATOM 8945 N N . THR F 3 70 ? 7.01270 -44.30898 3.33745 1.000 18.27782 ? 69 THR B N 1 ATOM 8946 C CA . THR F 3 70 ? 5.65034 -44.12483 2.85725 1.000 18.38756 ? 69 THR B CA 1 ATOM 8947 C C . THR F 3 70 ? 4.83111 -45.26739 3.42744 1.000 16.60774 ? 69 THR B C 1 ATOM 8948 O O . THR F 3 70 ? 5.21555 -46.43338 3.28725 1.000 17.18625 ? 69 THR B O 1 ATOM 8949 C CB . THR F 3 70 ? 5.58990 -44.14608 1.31790 1.000 19.56107 ? 69 THR B CB 1 ATOM 8950 O OG1 . THR F 3 70 ? 6.40201 -43.09477 0.79187 1.000 20.23356 ? 69 THR B OG1 1 ATOM 8951 C CG2 . THR F 3 70 ? 4.15152 -43.95840 0.86905 1.000 20.58820 ? 69 THR B CG2 1 ATOM 8952 H H . THR F 3 70 ? 7.31434 -45.10374 3.20715 1.000 21.93015 ? 69 THR B H 1 ATOM 8953 H HA . THR F 3 70 ? 5.28986 -43.27385 3.15185 1.000 22.06184 ? 69 THR B HA 1 ATOM 8954 H HB . THR F 3 70 ? 5.91766 -44.99333 0.97784 1.000 23.47006 ? 69 THR B HB 1 ATOM 8955 H HG1 . THR F 3 70 ? 6.02523 -42.35356 0.91117 1.000 24.27704 ? 69 THR B HG1 1 ATOM 8956 H HG21 . THR F 3 70 ? 4.11461 -43.86448 -0.09569 1.000 24.70262 ? 69 THR B HG21 1 ATOM 8957 H HG22 . THR F 3 70 ? 3.61936 -44.72584 1.13121 1.000 24.70262 ? 69 THR B HG22 1 ATOM 8958 H HG23 . THR F 3 70 ? 3.77780 -43.16186 1.27741 1.000 24.70262 ? 69 THR B HG23 1 ATOM 8959 N N . ILE F 3 71 ? 3.72949 -44.93008 4.09431 1.000 16.40546 ? 70 ILE B N 1 ATOM 8960 C CA . ILE F 3 71 ? 2.80535 -45.90501 4.64141 1.000 17.24973 ? 70 ILE B CA 1 ATOM 8961 C C . ILE F 3 71 ? 1.52975 -45.81033 3.83025 1.000 18.82095 ? 70 ILE B C 1 ATOM 8962 O O . ILE F 3 71 ? 0.99391 -44.71541 3.64471 1.000 19.45910 ? 70 ILE B O 1 ATOM 8963 C CB . ILE F 3 71 ? 2.57308 -45.66562 6.14561 1.000 17.16728 ? 70 ILE B CB 1 ATOM 8964 C CG1 . ILE F 3 71 ? 3.88353 -45.84452 6.89104 1.000 18.50200 ? 70 ILE B CG1 1 ATOM 8965 C CG2 . ILE F 3 71 ? 1.45440 -46.58473 6.65277 1.000 18.44445 ? 70 ILE B CG2 1 ATOM 8966 C CD1 . ILE F 3 71 ? 3.83554 -45.42201 8.32537 1.000 20.29796 ? 70 ILE B CD1 1 ATOM 8967 H H . ILE F 3 71 ? 3.49419 -44.11656 4.24403 1.000 19.68332 ? 70 ILE B H 1 ATOM 8968 H HA . ILE F 3 71 ? 3.15304 -46.80573 4.54811 1.000 20.69644 ? 70 ILE B HA 1 ATOM 8969 H HB . ILE F 3 71 ? 2.27745 -44.75546 6.30407 1.000 20.59750 ? 70 ILE B HB 1 ATOM 8970 H HG12 . ILE F 3 71 ? 4.12742 -46.78309 6.86882 1.000 22.19917 ? 70 ILE B HG12 1 ATOM 8971 H HG13 . ILE F 3 71 ? 4.56580 -45.31393 6.45072 1.000 22.19917 ? 70 ILE B HG13 1 ATOM 8972 H HG21 . ILE F 3 71 ? 1.34334 -46.45017 7.60694 1.000 22.13011 ? 70 ILE B HG21 1 ATOM 8973 H HG22 . ILE F 3 71 ? 0.63088 -46.36504 6.18967 1.000 22.13011 ? 70 ILE B HG22 1 ATOM 8974 H HG23 . ILE F 3 71 ? 1.69810 -47.50661 6.47488 1.000 22.13011 ? 70 ILE B HG23 1 ATOM 8975 H HD11 . ILE F 3 71 ? 4.68749 -45.62409 8.74278 1.000 24.35432 ? 70 ILE B HD11 1 ATOM 8976 H HD12 . ILE F 3 71 ? 3.66425 -44.46821 8.36806 1.000 24.35432 ? 70 ILE B HD12 1 ATOM 8977 H HD13 . ILE F 3 71 ? 3.12449 -45.90617 8.77358 1.000 24.35432 ? 70 ILE B HD13 1 ATOM 8978 N N . THR F 3 72 ? 1.07157 -46.94949 3.32145 1.000 20.35045 ? 71 THR B N 1 ATOM 8979 C CA . THR F 3 72 ? -0.12446 -47.02231 2.50788 1.000 21.98915 ? 71 THR B CA 1 ATOM 8980 C C . THR F 3 72 ? -0.99040 -48.17522 2.98245 1.000 19.94800 ? 71 THR B C 1 ATOM 8981 O O . THR F 3 72 ? -0.56723 -49.05372 3.74555 1.000 18.88924 ? 71 THR B O 1 ATOM 8982 C CB . THR F 3 72 ? 0.21713 -47.23442 1.03368 1.000 23.03741 ? 71 THR B CB 1 ATOM 8983 O OG1 . THR F 3 72 ? 1.10165 -48.36798 0.91869 1.000 21.97842 ? 71 THR B OG1 1 ATOM 8984 C CG2 . THR F 3 72 ? 0.88052 -45.99815 0.46435 1.000 23.65613 ? 71 THR B CG2 1 ATOM 8985 H H . THR F 3 72 ? 1.45098 -47.71209 3.44014 1.000 24.41730 ? 71 THR B H 1 ATOM 8986 H HA . THR F 3 72 ? -0.61781 -46.19289 2.60567 1.000 26.38375 ? 71 THR B HA 1 ATOM 8987 H HB . THR F 3 72 ? -0.58929 -47.40116 0.52106 1.000 27.64166 ? 71 THR B HB 1 ATOM 8988 H HG1 . THR F 3 72 ? 1.36030 -48.45110 0.12384 1.000 26.37088 ? 71 THR B HG1 1 ATOM 8989 H HG21 . THR F 3 72 ? 1.14000 -46.15535 -0.45698 1.000 28.38413 ? 71 THR B HG21 1 ATOM 8990 H HG22 . THR F 3 72 ? 0.26615 -45.24813 0.49478 1.000 28.38413 ? 71 THR B HG22 1 ATOM 8991 H HG23 . THR F 3 72 ? 1.67149 -45.77832 0.98103 1.000 28.38413 ? 71 THR B HG23 1 ATOM 8992 N N . ALA F 3 73 ? -2.20743 -48.20253 2.45630 1.000 21.71684 ? 72 ALA B N 1 ATOM 8993 C CA . ALA F 3 73 ? -3.07352 -49.31770 2.75732 1.000 22.15134 ? 72 ALA B CA 1 ATOM 8994 C C . ALA F 3 73 ? -4.06935 -49.42790 1.62332 1.000 22.94475 ? 72 ALA B C 1 ATOM 8995 O O . ALA F 3 73 ? -4.50255 -48.41809 1.05231 1.000 25.96420 ? 72 ALA B O 1 ATOM 8996 C CB . ALA F 3 73 ? -3.76486 -49.12181 4.09554 1.000 23.87404 ? 72 ALA B CB 1 ATOM 8997 H H . ALA F 3 73 ? -2.53976 -47.60215 1.93794 1.000 26.05698 ? 72 ALA B H 1 ATOM 8998 H HA . ALA F 3 73 ? -2.57577 -50.14850 2.81127 1.000 26.57838 ? 72 ALA B HA 1 ATOM 8999 H HB1 . ALA F 3 73 ? -4.45447 -49.79645 4.19648 1.000 28.64561 ? 72 ALA B HB1 1 ATOM 9000 H HB2 . ALA F 3 73 ? -3.10964 -49.20977 4.80536 1.000 28.64561 ? 72 ALA B HB2 1 ATOM 9001 H HB3 . ALA F 3 73 ? -4.16168 -48.23701 4.11946 1.000 28.64561 ? 72 ALA B HB3 1 ATOM 9002 N N . ASP F 3 74 ? -4.44265 -50.65472 1.31846 1.000 20.68851 ? 73 ASP B N 1 ATOM 9003 C CA . ASP F 3 74 ? -5.42799 -50.93104 0.28938 1.000 20.64958 ? 73 ASP B CA 1 ATOM 9004 C C . ASP F 3 74 ? -6.58079 -51.65146 0.97487 1.000 18.36523 ? 73 ASP B C 1 ATOM 9005 O O . ASP F 3 74 ? -6.46745 -52.84045 1.29696 1.000 19.21240 ? 73 ASP B O 1 ATOM 9006 C CB . ASP F 3 74 ? -4.77805 -51.80359 -0.76410 1.000 23.18594 ? 73 ASP B CB 1 ATOM 9007 C CG . ASP F 3 74 ? -5.65886 -52.02716 -1.94495 1.000 26.66924 ? 73 ASP B CG 1 ATOM 9008 O OD1 . ASP F 3 74 ? -6.88355 -51.91924 -1.79510 1.000 28.58620 ? 73 ASP B OD1 1 ATOM 9009 O OD2 . ASP F 3 74 ? -5.10645 -52.31948 -3.02551 1.000 29.53990 -1 73 ASP B OD2 1 ATOM 9010 H H . ASP F 3 74 ? -4.13340 -51.35990 1.70145 1.000 24.82298 ? 73 ASP B H 1 ATOM 9011 H HA . ASP F 3 74 ? -5.77135 -50.12390 -0.12478 1.000 24.77626 ? 73 ASP B HA 1 ATOM 9012 H HB2 . ASP F 3 74 ? -3.96453 -51.37482 -1.07270 1.000 27.81990 ? 73 ASP B HB2 1 ATOM 9013 H HB3 . ASP F 3 74 ? -4.57075 -52.66792 -0.37569 1.000 27.81990 ? 73 ASP B HB3 1 ATOM 9014 N N . GLU F 3 75 ? -7.68515 -50.93015 1.20359 1.000 18.90870 ? 74 GLU B N 1 ATOM 9015 C CA . GLU F 3 75 ? -8.85969 -51.54463 1.79789 1.000 19.83587 ? 74 GLU B CA 1 ATOM 9016 C C . GLU F 3 75 ? -9.30954 -52.73669 0.97724 1.000 20.57738 ? 74 GLU B C 1 ATOM 9017 O O . GLU F 3 75 ? -9.72865 -53.75481 1.52923 1.000 21.85324 ? 74 GLU B O 1 ATOM 9018 C CB . GLU F 3 75 ? -9.96486 -50.49223 1.93489 1.000 20.57020 ? 74 GLU B CB 1 ATOM 9019 C CG . GLU F 3 75 ? -11.35384 -51.03303 2.26701 1.000 21.26547 ? 74 GLU B CG 1 ATOM 9020 C CD . GLU F 3 75 ? -11.47776 -51.68195 3.63982 1.000 21.99699 ? 74 GLU B CD 1 ATOM 9021 O OE1 . GLU F 3 75 ? -10.55867 -51.54125 4.48335 1.000 20.85425 ? 74 GLU B OE1 1 ATOM 9022 O OE2 . GLU F 3 75 ? -12.52766 -52.32651 3.88134 1.000 24.38265 -1 74 GLU B OE2 1 ATOM 9023 H H . GLU F 3 75 ? -7.77222 -50.09373 1.02354 1.000 22.68722 ? 74 GLU B H 1 ATOM 9024 H HA . GLU F 3 75 ? -8.65761 -51.86882 2.68950 1.000 23.79981 ? 74 GLU B HA 1 ATOM 9025 H HB2 . GLU F 3 75 ? -9.71638 -49.88032 2.64534 1.000 24.68101 ? 74 GLU B HB2 1 ATOM 9026 H HB3 . GLU F 3 75 ? -10.03543 -50.01345 1.09424 1.000 24.68101 ? 74 GLU B HB3 1 ATOM 9027 H HG2 . GLU F 3 75 ? -11.98620 -50.29821 2.23451 1.000 25.51533 ? 74 GLU B HG2 1 ATOM 9028 H HG3 . GLU F 3 75 ? -11.58947 -51.70297 1.60630 1.000 25.51533 ? 74 GLU B HG3 1 ATOM 9029 N N . SER F 3 76 ? -9.20573 -52.63797 -0.34773 1.000 21.42641 ? 75 SER B N 1 ATOM 9030 C CA . SER F 3 76 ? -9.74836 -53.67929 -1.20907 1.000 23.01977 ? 75 SER B CA 1 ATOM 9031 C C . SER F 3 76 ? -9.00976 -54.99996 -1.08375 1.000 21.87129 ? 75 SER B C 1 ATOM 9032 O O . SER F 3 76 ? -9.58930 -56.05843 -1.33653 1.000 24.13156 ? 75 SER B O 1 ATOM 9033 C CB . SER F 3 76 ? -9.73393 -53.18349 -2.65788 1.000 25.50683 ? 75 SER B CB 1 ATOM 9034 O OG . SER F 3 76 ? -10.58443 -52.05988 -2.81847 1.000 29.58518 ? 75 SER B OG 1 ATOM 9035 H H . SER F 3 76 ? -8.83065 -51.98651 -0.76549 1.000 25.70846 ? 75 SER B H 1 ATOM 9036 H HA . SER F 3 76 ? -10.66471 -53.85531 -0.94409 1.000 27.62049 ? 75 SER B HA 1 ATOM 9037 H HB2 . SER F 3 76 ? -8.82827 -52.92980 -2.89524 1.000 30.60496 ? 75 SER B HB2 1 ATOM 9038 H HB3 . SER F 3 76 ? -10.04148 -53.89717 -3.23837 1.000 30.60496 ? 75 SER B HB3 1 ATOM 9039 H HG . SER F 3 76 ? -10.50430 -51.74743 -3.59407 1.000 35.49898 ? 75 SER B HG 1 ATOM 9040 N N . THR F 3 77 ? -7.74652 -54.97069 -0.67975 1.000 21.36183 ? 76 THR B N 1 ATOM 9041 C CA . THR F 3 77 ? -6.97812 -56.18843 -0.46728 1.000 21.10416 ? 76 THR B CA 1 ATOM 9042 C C . THR F 3 77 ? -6.63750 -56.38152 1.01250 1.000 20.50235 ? 76 THR B C 1 ATOM 9043 O O . THR F 3 77 ? -5.87014 -57.29361 1.35662 1.000 21.68851 ? 76 THR B O 1 ATOM 9044 C CB . THR F 3 77 ? -5.70419 -56.15137 -1.30220 1.000 22.36056 ? 76 THR B CB 1 ATOM 9045 O OG1 . THR F 3 77 ? -4.86430 -55.11426 -0.79641 1.000 22.87202 ? 76 THR B OG1 1 ATOM 9046 C CG2 . THR F 3 77 ? -6.03861 -55.87204 -2.78986 1.000 22.13056 ? 76 THR B CG2 1 ATOM 9047 H H . THR F 3 77 ? -7.30770 -54.24848 -0.52022 1.000 25.63096 ? 76 THR B H 1 ATOM 9048 H HA . THR F 3 77 ? -7.49725 -56.95317 -0.76151 1.000 25.32177 ? 76 THR B HA 1 ATOM 9049 H HB . THR F 3 77 ? -5.24447 -57.00425 -1.25585 1.000 26.82945 ? 76 THR B HB 1 ATOM 9050 H HG1 . THR F 3 77 ? -4.55116 -55.33681 -0.04940 1.000 27.44319 ? 76 THR B HG1 1 ATOM 9051 H HG21 . THR F 3 77 ? -5.24746 -55.99734 -3.33693 1.000 26.55345 ? 76 THR B HG21 1 ATOM 9052 H HG22 . THR F 3 77 ? -6.73105 -56.47945 -3.09395 1.000 26.55345 ? 76 THR B HG22 1 ATOM 9053 H HG23 . THR F 3 77 ? -6.35202 -54.95997 -2.89385 1.000 26.55345 ? 76 THR B HG23 1 ATOM 9054 N N A SER F 3 78 ? -7.17193 -55.52652 1.88698 0.236 20.06406 ? 77 SER B N 1 ATOM 9055 N N B SER F 3 78 ? -7.23607 -55.57023 1.89389 0.764 20.82008 ? 77 SER B N 1 ATOM 9056 C CA A SER F 3 78 ? -6.97959 -55.63416 3.33375 0.236 20.25863 ? 77 SER B CA 1 ATOM 9057 C CA B SER F 3 78 ? -6.97540 -55.56370 3.33555 0.764 22.18118 ? 77 SER B CA 1 ATOM 9058 C C A SER F 3 78 ? -5.50357 -55.62878 3.72584 0.236 18.47420 ? 77 SER B C 1 ATOM 9059 C C B SER F 3 78 ? -5.49349 -55.69254 3.67195 0.764 19.85278 ? 77 SER B C 1 ATOM 9060 O O A SER F 3 78 ? -5.12920 -56.18279 4.75971 0.236 17.85599 ? 77 SER B O 1 ATOM 9061 O O B SER F 3 78 ? -5.11684 -56.38066 4.62417 0.764 20.50935 ? 77 SER B O 1 ATOM 9062 C CB A SER F 3 78 ? -7.68268 -56.87253 3.89916 0.236 22.47176 ? 77 SER B CB 1 ATOM 9063 C CB B SER F 3 78 ? -7.80160 -56.63481 4.04918 0.764 29.99706 ? 77 SER B CB 1 ATOM 9064 O OG A SER F 3 78 ? -7.85180 -56.78211 5.30091 0.236 24.00365 ? 77 SER B OG 1 ATOM 9065 O OG B SER F 3 78 ? -7.63410 -57.90583 3.46241 0.764 38.29149 ? 77 SER B OG 1 ATOM 9066 H H A SER F 3 78 ? -7.66298 -54.85797 1.66005 0.236 24.07365 ? 77 SER B H 1 ATOM 9067 H H B SER F 3 78 ? -7.82600 -54.98614 1.66933 0.764 24.98086 ? 77 SER B H 1 ATOM 9068 H HA A SER F 3 78 ? -7.38010 -54.85075 3.74211 0.236 24.30712 ? 77 SER B HA 1 ATOM 9069 H HA B SER F 3 78 ? -7.25399 -54.69934 3.67639 0.764 26.61418 ? 77 SER B HA 1 ATOM 9070 H HB2 A SER F 3 78 ? -8.55543 -56.95347 3.48362 0.236 26.96288 ? 77 SER B HB2 1 ATOM 9071 H HB2 B SER F 3 78 ? -7.51918 -56.67994 4.97606 0.764 35.99324 ? 77 SER B HB2 1 ATOM 9072 H HB3 A SER F 3 78 ? -7.14603 -57.65536 3.69893 0.236 26.96288 ? 77 SER B HB3 1 ATOM 9073 H HB3 B SER F 3 78 ? -8.73883 -56.38982 3.99949 0.764 35.99324 ? 77 SER B HB3 1 ATOM 9074 H HG A SER F 3 78 ? -8.32246 -57.42146 5.57535 0.236 28.80115 ? 77 SER B HG 1 ATOM 9075 H HG B SER F 3 78 ? -8.03436 -57.93663 2.72454 0.764 45.94656 ? 77 SER B HG 1 ATOM 9076 N N . THR F 3 79 ? -4.65033 -54.99256 2.92659 1.000 17.65117 ? 78 THR B N 1 ATOM 9077 C CA . THR F 3 79 ? -3.20920 -55.02679 3.14639 1.000 17.29883 ? 78 THR B CA 1 ATOM 9078 C C . THR F 3 79 ? -2.66293 -53.62652 3.32561 1.000 17.04396 ? 78 THR B C 1 ATOM 9079 O O . THR F 3 79 ? -2.96513 -52.72941 2.53718 1.000 17.40749 ? 78 THR B O 1 ATOM 9080 C CB . THR F 3 79 ? -2.49421 -55.72896 1.98579 1.000 17.87843 ? 78 THR B CB 1 ATOM 9081 O OG1 . THR F 3 79 ? -3.07328 -57.02687 1.79005 1.000 20.79583 ? 78 THR B OG1 1 ATOM 9082 C CG2 . THR F 3 79 ? -1.00684 -55.89785 2.27642 1.000 19.30087 ? 78 THR B CG2 1 ATOM 9083 H H A THR F 3 79 ? -4.88715 -54.52894 2.24207 0.236 21.17817 ? 78 THR B H 1 ATOM 9084 H H B THR F 3 79 ? -4.89121 -54.48238 2.27752 0.764 21.17817 ? 78 THR B H 1 ATOM 9085 H HA . THR F 3 79 ? -3.03201 -55.51255 3.96708 1.000 20.75536 ? 78 THR B HA 1 ATOM 9086 H HB . THR F 3 79 ? -2.58916 -55.19168 1.18379 1.000 21.45088 ? 78 THR B HB 1 ATOM 9087 H HG1 . THR F 3 79 ? -3.84815 -56.95116 1.47470 1.000 24.95176 ? 78 THR B HG1 1 ATOM 9088 H HG21 . THR F 3 79 ? -0.60378 -56.48179 1.61502 1.000 23.15782 ? 78 THR B HG21 1 ATOM 9089 H HG22 . THR F 3 79 ? -0.56315 -55.03576 2.24737 1.000 23.15782 ? 78 THR B HG22 1 ATOM 9090 H HG23 . THR F 3 79 ? -0.88279 -56.28623 3.15658 1.000 23.15782 ? 78 THR B HG23 1 ATOM 9091 N N . ALA F 3 80 ? -1.85708 -53.44770 4.36834 1.000 16.78600 ? 79 ALA B N 1 ATOM 9092 C CA . ALA F 3 80 ? -1.12239 -52.21847 4.60831 1.000 16.93329 ? 79 ALA B CA 1 ATOM 9093 C C . ALA F 3 80 ? 0.36743 -52.43070 4.33660 1.000 15.44765 ? 79 ALA B C 1 ATOM 9094 O O . ALA F 3 80 ? 0.87428 -53.55293 4.34174 1.000 16.45487 ? 79 ALA B O 1 ATOM 9095 C CB . ALA F 3 80 ? -1.30734 -51.74912 6.06370 1.000 17.84921 ? 79 ALA B CB 1 ATOM 9096 H H . ALA F 3 80 ? -1.71757 -54.04712 4.96904 1.000 20.13997 ? 79 ALA B H 1 ATOM 9097 H HA . ALA F 3 80 ? -1.44849 -51.52749 4.01072 1.000 20.31672 ? 79 ALA B HA 1 ATOM 9098 H HB1 . ALA F 3 80 ? -0.80646 -50.92925 6.19720 1.000 21.41582 ? 79 ALA B HB1 1 ATOM 9099 H HB2 . ALA F 3 80 ? -2.25031 -51.59099 6.22711 1.000 21.41582 ? 79 ALA B HB2 1 ATOM 9100 H HB3 . ALA F 3 80 ? -0.97901 -52.43846 6.66196 1.000 21.41582 ? 79 ALA B HB3 1 ATOM 9101 N N . TYR F 3 81 ? 1.04916 -51.34364 4.03094 1.000 15.95257 ? 80 TYR B N 1 ATOM 9102 C CA . TYR F 3 81 ? 2.43798 -51.42456 3.62457 1.000 15.35734 ? 80 TYR B CA 1 ATOM 9103 C C . TYR F 3 81 ? 3.26904 -50.31250 4.23181 1.000 15.81677 ? 80 TYR B C 1 ATOM 9104 O O . TYR F 3 81 ? 2.78774 -49.20287 4.47759 1.000 17.27584 ? 80 TYR B O 1 ATOM 9105 C CB . TYR F 3 81 ? 2.57855 -51.27418 2.10814 1.000 17.91799 ? 80 TYR B CB 1 ATOM 9106 C CG . TYR F 3 81 ? 1.79529 -52.27092 1.29634 1.000 17.63814 ? 80 TYR B CG 1 ATOM 9107 C CD1 . TYR F 3 81 ? 2.37091 -53.47356 0.91567 1.000 18.83454 ? 80 TYR B CD1 1 ATOM 9108 C CD2 . TYR F 3 81 ? 0.48781 -52.00355 0.87547 1.000 18.97625 ? 80 TYR B CD2 1 ATOM 9109 C CE1 . TYR F 3 81 ? 1.68625 -54.39502 0.15791 1.000 20.17492 ? 80 TYR B CE1 1 ATOM 9110 C CE2 . TYR F 3 81 ? -0.21026 -52.92789 0.07983 1.000 20.01692 ? 80 TYR B CE2 1 ATOM 9111 C CZ . TYR F 3 81 ? 0.39670 -54.11983 -0.25954 1.000 20.19226 ? 80 TYR B CZ 1 ATOM 9112 O OH . TYR F 3 81 ? -0.26552 -55.05756 -1.02481 1.000 22.56881 ? 80 TYR B OH 1 ATOM 9113 H H . TYR F 3 81 ? 0.72916 -50.54565 4.05114 1.000 19.13985 ? 80 TYR B H 1 ATOM 9114 H HA . TYR F 3 81 ? 2.77339 -52.27878 3.93874 1.000 18.42557 ? 80 TYR B HA 1 ATOM 9115 H HB2 . TYR F 3 81 ? 2.27136 -50.38895 1.85733 1.000 21.49835 ? 80 TYR B HB2 1 ATOM 9116 H HB3 . TYR F 3 81 ? 3.51406 -51.37931 1.87431 1.000 21.49835 ? 80 TYR B HB3 1 ATOM 9117 H HD1 . TYR F 3 81 ? 3.24254 -53.66208 1.17953 1.000 22.59822 ? 80 TYR B HD1 1 ATOM 9118 H HD2 . TYR F 3 81 ? 0.07722 -51.20711 1.12449 1.000 22.76827 ? 80 TYR B HD2 1 ATOM 9119 H HE1 . TYR F 3 81 ? 2.08928 -55.20070 -0.07305 1.000 24.20667 ? 80 TYR B HE1 1 ATOM 9120 H HE2 . TYR F 3 81 ? -1.07178 -52.73843 -0.21475 1.000 24.01707 ? 80 TYR B HE2 1 ATOM 9121 H HH . TYR F 3 81 ? -1.04480 -54.79282 -1.19283 1.000 27.07934 ? 80 TYR B HH 1 ATOM 9122 N N A MET F 3 82 ? 4.54723 -50.61997 4.40757 0.596 16.10285 ? 81 MET B N 1 ATOM 9123 N N B MET F 3 82 ? 4.53606 -50.62996 4.46977 0.404 16.25993 ? 81 MET B N 1 ATOM 9124 C CA A MET F 3 82 ? 5.56211 -49.67087 4.83476 0.596 16.81122 ? 81 MET B CA 1 ATOM 9125 C CA B MET F 3 82 ? 5.55206 -49.65198 4.82933 0.404 16.94724 ? 81 MET B CA 1 ATOM 9126 C C A MET F 3 82 ? 6.69432 -49.78472 3.82995 0.596 17.72457 ? 81 MET B C 1 ATOM 9127 C C B MET F 3 82 ? 6.67438 -49.78851 3.81460 0.404 17.46669 ? 81 MET B C 1 ATOM 9128 O O A MET F 3 82 ? 7.31513 -50.84436 3.72269 0.596 18.19566 ? 81 MET B O 1 ATOM 9129 O O B MET F 3 82 ? 7.28495 -50.85606 3.70772 0.404 17.80858 ? 81 MET B O 1 ATOM 9130 C CB A MET F 3 82 ? 6.05789 -50.05768 6.22807 0.596 18.42096 ? 81 MET B CB 1 ATOM 9131 C CB B MET F 3 82 ? 6.09739 -49.91201 6.23466 0.404 18.55634 ? 81 MET B CB 1 ATOM 9132 C CG A MET F 3 82 ? 6.90521 -49.02777 6.92320 0.596 18.14585 ? 81 MET B CG 1 ATOM 9133 C CG B MET F 3 82 ? 7.19041 -48.93994 6.65323 0.404 19.37416 ? 81 MET B CG 1 ATOM 9134 S SD A MET F 3 82 ? 8.61688 -48.99910 6.35534 0.596 19.02362 ? 81 MET B SD 1 ATOM 9135 S SD B MET F 3 82 ? 8.39573 -49.66558 7.78920 0.404 20.37677 ? 81 MET B SD 1 ATOM 9136 C CE A MET F 3 82 ? 9.11468 -50.71132 6.48651 0.596 18.35071 ? 81 MET B CE 1 ATOM 9137 C CE B MET F 3 82 ? 9.17385 -50.83690 6.67052 0.404 20.33513 ? 81 MET B CE 1 ATOM 9138 H H A MET F 3 82 ? 4.86438 -51.40900 4.27937 0.596 19.32019 ? 81 MET B H 1 ATOM 9139 H H B MET F 3 82 ? 4.84030 -51.43323 4.42736 0.404 19.50868 ? 81 MET B H 1 ATOM 9140 H HA A MET F 3 82 ? 5.22102 -48.76324 4.86239 0.596 20.17023 ? 81 MET B HA 1 ATOM 9141 H HA B MET F 3 82 ? 5.17312 -48.75920 4.81357 0.404 20.33346 ? 81 MET B HA 1 ATOM 9142 H HB2 A MET F 3 82 ? 5.28580 -50.22401 6.79120 0.596 22.10192 ? 81 MET B HB2 1 ATOM 9143 H HB2 B MET F 3 82 ? 5.37007 -49.83305 6.87158 0.404 22.26438 ? 81 MET B HB2 1 ATOM 9144 H HB3 A MET F 3 82 ? 6.59084 -50.86429 6.14907 0.596 22.10192 ? 81 MET B HB3 1 ATOM 9145 H HB3 B MET F 3 82 ? 6.46904 -50.80748 6.26483 0.404 22.26438 ? 81 MET B HB3 1 ATOM 9146 H HG2 A MET F 3 82 ? 6.52497 -48.14990 6.76301 0.596 21.77179 ? 81 MET B HG2 1 ATOM 9147 H HG2 B MET F 3 82 ? 7.66742 -48.64414 5.86211 0.404 23.24576 ? 81 MET B HG2 1 ATOM 9148 H HG3 A MET F 3 82 ? 6.91155 -49.21804 7.87434 0.596 21.77179 ? 81 MET B HG3 1 ATOM 9149 H HG3 B MET F 3 82 ? 6.78202 -48.18060 7.09768 0.404 23.24576 ? 81 MET B HG3 1 ATOM 9150 H HE1 A MET F 3 82 ? 10.08343 -50.75998 6.47943 0.596 22.01762 ? 81 MET B HE1 1 ATOM 9151 H HE1 B MET F 3 82 ? 9.92223 -51.25643 7.12309 0.404 24.39893 ? 81 MET B HE1 1 ATOM 9152 H HE2 A MET F 3 82 ? 8.77115 -51.07738 7.31650 0.596 22.01762 ? 81 MET B HE2 1 ATOM 9153 H HE2 B MET F 3 82 ? 8.52311 -51.50912 6.41448 0.404 24.39893 ? 81 MET B HE2 1 ATOM 9154 H HE3 A MET F 3 82 ? 8.75323 -51.20388 5.73309 0.596 22.01762 ? 81 MET B HE3 1 ATOM 9155 H HE3 B MET F 3 82 ? 9.48645 -50.36270 5.88419 0.404 24.39893 ? 81 MET B HE3 1 ATOM 9156 N N . GLU F 3 83 ? 6.94707 -48.71314 3.08226 1.000 16.74691 ? 82 GLU B N 1 ATOM 9157 C CA . GLU F 3 83 ? 8.06000 -48.65175 2.13713 1.000 16.77363 ? 82 GLU B CA 1 ATOM 9158 C C . GLU F 3 83 ? 9.09719 -47.71132 2.73787 1.000 16.56378 ? 82 GLU B C 1 ATOM 9159 O O . GLU F 3 83 ? 8.81139 -46.53204 2.95165 1.000 18.40882 ? 82 GLU B O 1 ATOM 9160 C CB . GLU F 3 83 ? 7.61884 -48.17376 0.74818 1.000 20.55748 ? 82 GLU B CB 1 ATOM 9161 C CG . GLU F 3 83 ? 8.76854 -48.22746 -0.27815 1.000 22.75511 ? 82 GLU B CG 1 ATOM 9162 C CD . GLU F 3 83 ? 8.26642 -48.17990 -1.72198 1.000 27.03715 ? 82 GLU B CD 1 ATOM 9163 O OE1 . GLU F 3 83 ? 7.07316 -47.92278 -1.91963 1.000 26.95943 ? 82 GLU B OE1 1 ATOM 9164 O OE2 . GLU F 3 83 ? 9.07927 -48.39195 -2.65027 1.000 28.98441 -1 82 GLU B OE2 1 ATOM 9165 H H A GLU F 3 83 ? 6.47719 -47.99322 3.10539 0.596 20.09306 ? 82 GLU B H 1 ATOM 9166 H H B GLU F 3 83 ? 6.48914 -47.98596 3.11579 0.404 20.09306 ? 82 GLU B H 1 ATOM 9167 H HA . GLU F 3 83 ? 8.44359 -49.53430 2.01517 1.000 20.12513 ? 82 GLU B HA 1 ATOM 9168 H HB2 . GLU F 3 83 ? 6.90123 -48.74312 0.42914 1.000 24.66575 ? 82 GLU B HB2 1 ATOM 9169 H HB3 . GLU F 3 83 ? 7.31129 -47.25594 0.81068 1.000 24.66575 ? 82 GLU B HB3 1 ATOM 9170 H HG2 . GLU F 3 83 ? 9.35455 -47.46730 -0.13798 1.000 27.30290 ? 82 GLU B HG2 1 ATOM 9171 H HG3 . GLU F 3 83 ? 9.26242 -49.05365 -0.15819 1.000 27.30290 ? 82 GLU B HG3 1 ATOM 9172 N N . LEU F 3 84 ? 10.27554 -48.22908 3.03846 1.000 17.35664 ? 83 LEU B N 1 ATOM 9173 C CA . LEU F 3 84 ? 11.34928 -47.42847 3.61593 1.000 16.93723 ? 83 LEU B CA 1 ATOM 9174 C C . LEU F 3 84 ? 12.48397 -47.37444 2.60885 1.000 17.81114 ? 83 LEU B C 1 ATOM 9175 O O . LEU F 3 84 ? 12.97824 -48.41736 2.16991 1.000 18.04495 ? 83 LEU B O 1 ATOM 9176 C CB . LEU F 3 84 ? 11.81994 -48.00977 4.95199 1.000 19.42580 ? 83 LEU B CB 1 ATOM 9177 C CG . LEU F 3 84 ? 12.90688 -47.21567 5.67983 1.000 20.64408 ? 83 LEU B CG 1 ATOM 9178 C CD1 . LEU F 3 84 ? 12.38844 -45.83950 6.06759 1.000 21.65780 ? 83 LEU B CD1 1 ATOM 9179 C CD2 . LEU F 3 84 ? 13.38202 -47.97538 6.90677 1.000 21.12524 ? 83 LEU B CD2 1 ATOM 9180 H H . LEU F 3 84 ? 10.48341 -49.05459 2.91633 1.000 20.82474 ? 83 LEU B H 1 ATOM 9181 H HA . LEU F 3 84 ? 11.03840 -46.52545 3.78569 1.000 20.32144 ? 83 LEU B HA 1 ATOM 9182 H HB2 . LEU F 3 84 ? 11.05490 -48.06162 5.54606 1.000 23.30773 ? 83 LEU B HB2 1 ATOM 9183 H HB3 . LEU F 3 84 ? 12.17352 -48.89803 4.78809 1.000 23.30773 ? 83 LEU B HB3 1 ATOM 9184 H HG . LEU F 3 84 ? 13.66550 -47.09423 5.08767 1.000 24.76966 ? 83 LEU B HG 1 ATOM 9185 H HD11 . LEU F 3 84 ? 13.09190 -45.35501 6.52729 1.000 25.98613 ? 83 LEU B HD11 1 ATOM 9186 H HD12 . LEU F 3 84 ? 12.12850 -45.36206 5.26423 1.000 25.98613 ? 83 LEU B HD12 1 ATOM 9187 H HD13 . LEU F 3 84 ? 11.62197 -45.94414 6.65280 1.000 25.98613 ? 83 LEU B HD13 1 ATOM 9188 H HD21 . LEU F 3 84 ? 14.03798 -47.43731 7.37697 1.000 25.34706 ? 83 LEU B HD21 1 ATOM 9189 H HD22 . LEU F 3 84 ? 12.62224 -48.14986 7.48401 1.000 25.34706 ? 83 LEU B HD22 1 ATOM 9190 H HD23 . LEU F 3 84 ? 13.78210 -48.81271 6.62443 1.000 25.34706 ? 83 LEU B HD23 1 ATOM 9191 N N . ARG F 3 85 ? 12.89312 -46.16380 2.25667 1.000 18.31320 ? 84 ARG B N 1 ATOM 9192 C CA . ARG F 3 85 ? 13.86465 -45.92789 1.20041 1.000 19.20580 ? 84 ARG B CA 1 ATOM 9193 C C . ARG F 3 85 ? 15.23805 -45.56273 1.76136 1.000 20.21515 ? 84 ARG B C 1 ATOM 9194 O O . ARG F 3 85 ? 15.39950 -45.29658 2.95152 1.000 21.12408 ? 84 ARG B O 1 ATOM 9195 C CB . ARG F 3 85 ? 13.37094 -44.81088 0.28352 1.000 19.40604 ? 84 ARG B CB 1 ATOM 9196 C CG . ARG F 3 85 ? 12.01618 -45.07563 -0.35203 1.000 19.96530 ? 84 ARG B CG 1 ATOM 9197 C CD . ARG F 3 85 ? 11.51902 -43.85783 -1.08063 1.000 20.67568 ? 84 ARG B CD 1 ATOM 9198 N NE . ARG F 3 85 ? 10.17474 -44.04913 -1.61868 1.000 20.51271 ? 84 ARG B NE 1 ATOM 9199 C CZ . ARG F 3 85 ? 9.06537 -43.83533 -0.92497 1.000 20.69298 ? 84 ARG B CZ 1 ATOM 9200 N NH1 . ARG F 3 85 ? 9.10573 -43.54725 0.36658 1.000 22.84311 ? 84 ARG B NH1 1 ATOM 9201 N NH2 . ARG F 3 85 ? 7.88629 -43.90981 -1.53722 1.000 21.42904 ? 84 ARG B NH2 1 ATOM 9202 H H . ARG F 3 85 ? 12.61300 -45.44005 2.62723 1.000 21.97261 ? 84 ARG B H 1 ATOM 9203 H HA . ARG F 3 85 ? 13.96614 -46.74722 0.69119 1.000 23.04373 ? 84 ARG B HA 1 ATOM 9204 H HB2 . ARG F 3 85 ? 13.29760 -43.99440 0.80206 1.000 23.28402 ? 84 ARG B HB2 1 ATOM 9205 H HB3 . ARG F 3 85 ? 14.01350 -44.69203 -0.43334 1.000 23.28402 ? 84 ARG B HB3 1 ATOM 9206 H HG2 . ARG F 3 85 ? 12.09373 -45.80406 -0.98786 1.000 23.95513 ? 84 ARG B HG2 1 ATOM 9207 H HG3 . ARG F 3 85 ? 11.37409 -45.30456 0.33805 1.000 23.95513 ? 84 ARG B HG3 1 ATOM 9208 H HD2 . ARG F 3 85 ? 11.49511 -43.10697 -0.46700 1.000 24.80759 ? 84 ARG B HD2 1 ATOM 9209 H HD3 . ARG F 3 85 ? 12.11583 -43.66310 -1.82009 1.000 24.80759 ? 84 ARG B HD3 1 ATOM 9210 H HE . ARG F 3 85 ? 10.09841 -44.31593 -2.43267 1.000 24.61202 ? 84 ARG B HE 1 ATOM 9211 H HH11 . ARG F 3 85 ? 9.86231 -43.49562 0.77219 1.000 27.40850 ? 84 ARG B HH11 1 ATOM 9212 H HH12 . ARG F 3 85 ? 8.37537 -43.41173 0.79995 1.000 27.40850 ? 84 ARG B HH12 1 ATOM 9213 H HH21 . ARG F 3 85 ? 7.84834 -44.09536 -2.37611 1.000 25.71162 ? 84 ARG B HH21 1 ATOM 9214 H HH22 . ARG F 3 85 ? 7.16220 -43.77241 -1.09403 1.000 25.71162 ? 84 ARG B HH22 1 ATOM 9215 N N . SER F 3 86 ? 16.23220 -45.56086 0.86933 1.000 19.50921 ? 85 SER B N 1 ATOM 9216 C CA . SER F 3 86 ? 17.58556 -45.13715 1.17865 1.000 19.73107 ? 85 SER B CA 1 ATOM 9217 C C . SER F 3 86 ? 18.09877 -45.82061 2.44014 1.000 19.86369 ? 85 SER B C 1 ATOM 9218 O O . SER F 3 86 ? 18.56160 -45.17621 3.37906 1.000 21.23406 ? 85 SER B O 1 ATOM 9219 C CB . SER F 3 86 ? 17.66861 -43.62125 1.28919 1.000 21.58856 ? 85 SER B CB 1 ATOM 9220 O OG . SER F 3 86 ? 17.24483 -43.01402 0.07172 1.000 23.96087 ? 85 SER B OG 1 ATOM 9221 H H . SER F 3 86 ? 16.13724 -45.81055 0.05187 1.000 23.40783 ? 85 SER B H 1 ATOM 9222 H HA . SER F 3 86 ? 18.16631 -45.40964 0.45107 1.000 23.67406 ? 85 SER B HA 1 ATOM 9223 H HB2 . SER F 3 86 ? 17.09303 -43.32288 2.01070 1.000 25.90305 ? 85 SER B HB2 1 ATOM 9224 H HB3 . SER F 3 86 ? 18.58665 -43.36526 1.46966 1.000 25.90305 ? 85 SER B HB3 1 ATOM 9225 H HG . SER F 3 86 ? 16.44027 -43.20286 -0.07867 1.000 28.74981 ? 85 SER B HG 1 ATOM 9226 N N . LEU F 3 87 ? 18.02831 -47.14869 2.44006 1.000 18.43791 ? 86 LEU B N 1 ATOM 9227 C CA . LEU F 3 87 ? 18.29799 -47.90805 3.65543 1.000 19.22164 ? 86 LEU B CA 1 ATOM 9228 C C . LEU F 3 87 ? 19.74668 -47.73253 4.07876 1.000 20.24929 ? 86 LEU B C 1 ATOM 9229 O O . LEU F 3 87 ? 20.65796 -47.64775 3.25511 1.000 20.72591 ? 86 LEU B O 1 ATOM 9230 C CB . LEU F 3 87 ? 17.98932 -49.38496 3.42826 1.000 19.17402 ? 86 LEU B CB 1 ATOM 9231 C CG . LEU F 3 87 ? 16.50665 -49.71171 3.27194 1.000 18.19795 ? 86 LEU B CG 1 ATOM 9232 C CD1 . LEU F 3 87 ? 16.27107 -51.11591 2.80631 1.000 19.41507 ? 86 LEU B CD1 1 ATOM 9233 C CD2 . LEU F 3 87 ? 15.78259 -49.45610 4.62111 1.000 20.01091 ? 86 LEU B CD2 1 ATOM 9234 H H . LEU F 3 87 ? 17.82827 -47.62961 1.75573 1.000 22.12226 ? 86 LEU B H 1 ATOM 9235 H HA . LEU F 3 87 ? 17.73208 -47.58769 4.37516 1.000 23.06273 ? 86 LEU B HA 1 ATOM 9236 H HB2 . LEU F 3 87 ? 18.43900 -49.67170 2.61804 1.000 23.00559 ? 86 LEU B HB2 1 ATOM 9237 H HB3 . LEU F 3 87 ? 18.32128 -49.88857 4.18792 1.000 23.00559 ? 86 LEU B HB3 1 ATOM 9238 H HG . LEU F 3 87 ? 16.13588 -49.13483 2.58591 1.000 21.83431 ? 86 LEU B HG 1 ATOM 9239 H HD11 . LEU F 3 87 ? 15.31574 -51.27882 2.76495 1.000 23.29485 ? 86 LEU B HD11 1 ATOM 9240 H HD12 . LEU F 3 87 ? 16.66396 -51.22696 1.92642 1.000 23.29485 ? 86 LEU B HD12 1 ATOM 9241 H HD13 . LEU F 3 87 ? 16.68452 -51.73001 3.43308 1.000 23.29485 ? 86 LEU B HD13 1 ATOM 9242 H HD21 . LEU F 3 87 ? 14.84983 -49.70672 4.53137 1.000 24.00987 ? 86 LEU B HD21 1 ATOM 9243 H HD22 . LEU F 3 87 ? 16.20386 -49.99108 5.31192 1.000 24.00987 ? 86 LEU B HD22 1 ATOM 9244 H HD23 . LEU F 3 87 ? 15.85218 -48.51448 4.84342 1.000 24.00987 ? 86 LEU B HD23 1 ATOM 9245 N N . ARG F 3 88 ? 19.95438 -47.69067 5.39168 1.000 20.33628 ? 87 ARG B N 1 ATOM 9246 C CA . ARG F 3 88 ? 21.27323 -47.58828 6.00520 1.000 22.88190 ? 87 ARG B CA 1 ATOM 9247 C C . ARG F 3 88 ? 21.30890 -48.50968 7.22051 1.000 20.15350 ? 87 ARG B C 1 ATOM 9248 O O . ARG F 3 88 ? 20.31805 -49.15988 7.56489 1.000 18.50734 ? 87 ARG B O 1 ATOM 9249 C CB . ARG F 3 88 ? 21.58062 -46.13927 6.38564 1.000 28.16763 ? 87 ARG B CB 1 ATOM 9250 C CG . ARG F 3 88 ? 21.79369 -45.21562 5.19486 1.000 35.03676 ? 87 ARG B CG 1 ATOM 9251 C CD . ARG F 3 88 ? 23.00093 -45.65917 4.39864 1.000 41.28494 ? 87 ARG B CD 1 ATOM 9252 N NE . ARG F 3 88 ? 23.40200 -44.68004 3.39722 1.000 44.55743 ? 87 ARG B NE 1 ATOM 9253 C CZ . ARG F 3 88 ? 22.72668 -44.43903 2.28207 1.000 46.57311 ? 87 ARG B CZ 1 ATOM 9254 N NH1 . ARG F 3 88 ? 21.58082 -45.05053 2.01939 1.000 46.12459 ? 87 ARG B NH1 1 ATOM 9255 N NH2 . ARG F 3 88 ? 23.21122 -43.55824 1.40921 1.000 47.75862 ? 87 ARG B NH2 1 ATOM 9256 H H . ARG F 3 88 ? 19.32001 -47.72142 5.97153 1.000 24.40031 ? 87 ARG B H 1 ATOM 9257 H HA . ARG F 3 88 ? 21.95068 -47.88774 5.37887 1.000 27.45505 ? 87 ARG B HA 1 ATOM 9258 H HB2 . ARG F 3 88 ? 20.83700 -45.78914 6.90075 1.000 33.79792 ? 87 ARG B HB2 1 ATOM 9259 H HB3 . ARG F 3 88 ? 22.39046 -46.12356 6.91932 1.000 33.79792 ? 87 ARG B HB3 1 ATOM 9260 H HG2 . ARG F 3 88 ? 21.01451 -45.24242 4.61775 1.000 42.04088 ? 87 ARG B HG2 1 ATOM 9261 H HG3 . ARG F 3 88 ? 21.94399 -44.30977 5.50749 1.000 42.04088 ? 87 ARG B HG3 1 ATOM 9262 H HD2 . ARG F 3 88 ? 23.74741 -45.79343 5.00332 1.000 49.53870 ? 87 ARG B HD2 1 ATOM 9263 H HD3 . ARG F 3 88 ? 22.79143 -46.48836 3.94097 1.000 49.53870 ? 87 ARG B HD3 1 ATOM 9264 H HE . ARG F 3 88 ? 24.12146 -44.23049 3.53819 1.000 53.46569 ? 87 ARG B HE 1 ATOM 9265 H HH11 . ARG F 3 88 ? 21.25868 -45.61892 2.57864 1.000 55.34628 ? 87 ARG B HH11 1 ATOM 9266 H HH12 . ARG F 3 88 ? 21.15930 -44.87901 1.28966 1.000 55.34628 ? 87 ARG B HH12 1 ATOM 9267 H HH21 . ARG F 3 88 ? 23.95278 -43.15445 1.57246 1.000 57.30712 ? 87 ARG B HH21 1 ATOM 9268 H HH22 . ARG F 3 88 ? 22.78266 -43.39307 0.68212 1.000 57.30712 ? 87 ARG B HH22 1 ATOM 9269 N N . SER F 3 89 ? 22.46023 -48.55465 7.88639 1.000 21.66948 ? 88 SER B N 1 ATOM 9270 C CA . SER F 3 89 ? 22.66320 -49.53032 8.95424 1.000 21.24510 ? 88 SER B CA 1 ATOM 9271 C C . SER F 3 89 ? 21.69989 -49.33049 10.10801 1.000 19.99843 ? 88 SER B C 1 ATOM 9272 O O . SER F 3 89 ? 21.27895 -50.30174 10.74124 1.000 20.35438 ? 88 SER B O 1 ATOM 9273 C CB . SER F 3 89 ? 24.09919 -49.44961 9.45696 1.000 21.26059 ? 88 SER B CB 1 ATOM 9274 O OG . SER F 3 89 ? 24.99902 -49.81255 8.41870 1.000 21.95277 ? 88 SER B OG 1 ATOM 9275 H H . SER F 3 89 ? 23.13251 -48.03811 7.74210 1.000 26.00014 ? 88 SER B H 1 ATOM 9276 H HA . SER F 3 89 ? 22.50308 -50.41435 8.58852 1.000 25.49090 ? 88 SER B HA 1 ATOM 9277 H HB2 . SER F 3 89 ? 24.28775 -48.54103 9.73949 1.000 25.50948 ? 88 SER B HB2 1 ATOM 9278 H HB3 . SER F 3 89 ? 24.21068 -50.05903 10.20333 1.000 25.50948 ? 88 SER B HB3 1 ATOM 9279 H HG . SER F 3 89 ? 24.74696 -50.52753 8.05695 1.000 26.34009 ? 88 SER B HG 1 ATOM 9280 N N . ASP F 3 90 ? 21.35374 -48.08182 10.41088 1.000 20.32816 ? 89 ASP B N 1 ATOM 9281 C CA . ASP F 3 90 ? 20.38647 -47.79647 11.46842 1.000 21.27928 ? 89 ASP B CA 1 ATOM 9282 C C . ASP F 3 90 ? 18.99323 -48.33643 11.14768 1.000 20.25533 ? 89 ASP B C 1 ATOM 9283 O O . ASP F 3 90 ? 18.12317 -48.33401 12.01913 1.000 21.05762 ? 89 ASP B O 1 ATOM 9284 C CB . ASP F 3 90 ? 20.31729 -46.29088 11.73364 1.000 24.36008 ? 89 ASP B CB 1 ATOM 9285 C CG . ASP F 3 90 ? 21.50138 -45.76814 12.55635 1.000 28.24596 ? 89 ASP B CG 1 ATOM 9286 O OD1 . ASP F 3 90 ? 22.38809 -46.54574 12.97807 1.000 30.00144 ? 89 ASP B OD1 1 ATOM 9287 O OD2 . ASP F 3 90 ? 21.52355 -44.55042 12.79948 1.000 29.98322 -1 89 ASP B OD2 1 ATOM 9288 H H . ASP F 3 90 ? 21.66390 -47.38161 10.01959 1.000 24.39057 ? 89 ASP B H 1 ATOM 9289 H HA . ASP F 3 90 ? 20.68886 -48.22179 12.28608 1.000 25.53190 ? 89 ASP B HA 1 ATOM 9290 H HB2 . ASP F 3 90 ? 20.31387 -45.82178 10.88462 1.000 29.22887 ? 89 ASP B HB2 1 ATOM 9291 H HB3 . ASP F 3 90 ? 19.50373 -46.09498 12.22419 1.000 29.22887 ? 89 ASP B HB3 1 ATOM 9292 N N . ASP F 3 91 ? 18.73740 -48.76068 9.91634 1.000 19.10109 ? 90 ASP B N 1 ATOM 9293 C CA . ASP F 3 91 ? 17.43526 -49.31560 9.54717 1.000 17.64732 ? 90 ASP B CA 1 ATOM 9294 C C . ASP F 3 91 ? 17.34835 -50.82498 9.73666 1.000 17.33156 ? 90 ASP B C 1 ATOM 9295 O O . ASP F 3 91 ? 16.25422 -51.38466 9.60769 1.000 17.00014 ? 90 ASP B O 1 ATOM 9296 C CB . ASP F 3 91 ? 17.09788 -48.94333 8.11160 1.000 18.01074 ? 90 ASP B CB 1 ATOM 9297 C CG . ASP F 3 91 ? 17.04178 -47.44236 7.90813 1.000 20.39639 ? 90 ASP B CG 1 ATOM 9298 O OD1 . ASP F 3 91 ? 16.41664 -46.75830 8.73297 1.000 21.92941 ? 90 ASP B OD1 1 ATOM 9299 O OD2 . ASP F 3 91 ? 17.64245 -46.95906 6.92327 1.000 21.15335 -1 90 ASP B OD2 1 ATOM 9300 H H . ASP F 3 91 ? 19.30433 -48.73860 9.27005 1.000 22.91807 ? 90 ASP B H 1 ATOM 9301 H HA . ASP F 3 91 ? 16.75783 -48.91987 10.11759 1.000 21.17356 ? 90 ASP B HA 1 ATOM 9302 H HB2 . ASP F 3 91 ? 17.77800 -49.30338 7.52109 1.000 21.60966 ? 90 ASP B HB2 1 ATOM 9303 H HB3 . ASP F 3 91 ? 16.23051 -49.31222 7.88248 1.000 21.60966 ? 90 ASP B HB3 1 ATOM 9304 N N . THR F 3 92 ? 18.44588 -51.49348 10.10374 1.000 17.21447 ? 91 THR B N 1 ATOM 9305 C CA . THR F 3 92 ? 18.34620 -52.88619 10.52238 1.000 16.48570 ? 91 THR B CA 1 ATOM 9306 C C . THR F 3 92 ? 17.46597 -52.96082 11.75498 1.000 17.22726 ? 91 THR B C 1 ATOM 9307 O O . THR F 3 92 ? 17.78087 -52.37094 12.78526 1.000 17.92009 ? 91 THR B O 1 ATOM 9308 C CB . THR F 3 92 ? 19.72707 -53.45688 10.83199 1.000 14.97707 ? 91 THR B CB 1 ATOM 9309 O OG1 . THR F 3 92 ? 20.48458 -53.50843 9.61455 1.000 18.05224 ? 91 THR B OG1 1 ATOM 9310 C CG2 . THR F 3 92 ? 19.62129 -54.84776 11.39422 1.000 17.20427 ? 91 THR B CG2 1 ATOM 9311 H H . THR F 3 92 ? 19.24132 -51.16685 10.11755 1.000 20.65414 ? 91 THR B H 1 ATOM 9312 H HA . THR F 3 92 ? 17.96342 -53.41675 9.80622 1.000 19.77961 ? 91 THR B HA 1 ATOM 9313 H HB . THR F 3 92 ? 20.17109 -52.89773 11.48857 1.000 17.96925 ? 91 THR B HB 1 ATOM 9314 H HG1 . THR F 3 92 ? 20.74387 -52.73751 9.40464 1.000 21.65946 ? 91 THR B HG1 1 ATOM 9315 H HG21 . THR F 3 92 ? 20.49994 -55.25664 11.43547 1.000 20.64189 ? 91 THR B HG21 1 ATOM 9316 H HG22 . THR F 3 92 ? 19.24631 -54.81657 12.28826 1.000 20.64189 ? 91 THR B HG22 1 ATOM 9317 H HG23 . THR F 3 92 ? 19.04763 -55.39053 10.83100 1.000 20.64189 ? 91 THR B HG23 1 ATOM 9318 N N . ALA F 3 93 ? 16.35325 -53.66298 11.64969 1.000 16.69187 ? 92 ALA B N 1 ATOM 9319 C CA . ALA F 3 93 ? 15.37160 -53.65247 12.72324 1.000 17.43982 ? 92 ALA B CA 1 ATOM 9320 C C . ALA F 3 93 ? 14.28859 -54.66679 12.41354 1.000 16.11324 ? 92 ALA B C 1 ATOM 9321 O O . ALA F 3 93 ? 14.11848 -55.09117 11.25791 1.000 17.15131 ? 92 ALA B O 1 ATOM 9322 C CB . ALA F 3 93 ? 14.74170 -52.26373 12.85665 1.000 16.38514 ? 92 ALA B CB 1 ATOM 9323 H H . ALA F 3 93 ? 16.14277 -54.15042 10.97316 1.000 20.02702 ? 92 ALA B H 1 ATOM 9324 H HA . ALA F 3 93 ? 15.80069 -53.90666 13.55521 1.000 20.92455 ? 92 ALA B HA 1 ATOM 9325 H HB1 . ALA F 3 93 ? 14.15730 -52.25508 13.63079 1.000 19.65893 ? 92 ALA B HB1 1 ATOM 9326 H HB2 . ALA F 3 93 ? 15.44656 -51.60653 12.96694 1.000 19.65893 ? 92 ALA B HB2 1 ATOM 9327 H HB3 . ALA F 3 93 ? 14.23140 -52.07007 12.05479 1.000 19.65893 ? 92 ALA B HB3 1 ATOM 9328 N N . VAL F 3 94 ? 13.52563 -55.02910 13.45861 1.000 15.71295 ? 93 VAL B N 1 ATOM 9329 C CA . VAL F 3 94 ? 12.25257 -55.70557 13.25531 1.000 16.12451 ? 93 VAL B CA 1 ATOM 9330 C C . VAL F 3 94 ? 11.17474 -54.64135 13.11298 1.000 15.83770 ? 93 VAL B C 1 ATOM 9331 O O . VAL F 3 94 ? 11.07418 -53.72451 13.95305 1.000 16.77045 ? 93 VAL B O 1 ATOM 9332 C CB . VAL F 3 94 ? 11.94448 -56.66087 14.41623 1.000 17.65921 ? 93 VAL B CB 1 ATOM 9333 C CG1 . VAL F 3 94 ? 10.55925 -57.25796 14.24979 1.000 18.22482 ? 93 VAL B CG1 1 ATOM 9334 C CG2 . VAL F 3 94 ? 12.99723 -57.75723 14.49708 1.000 17.99658 ? 93 VAL B CG2 1 ATOM 9335 H H . VAL F 3 94 ? 13.72976 -54.89139 14.28260 1.000 18.85232 ? 93 VAL B H 1 ATOM 9336 H HA . VAL F 3 94 ? 12.28396 -56.23006 12.43994 1.000 19.34619 ? 93 VAL B HA 1 ATOM 9337 H HB . VAL F 3 94 ? 11.96385 -56.16483 15.24957 1.000 21.18783 ? 93 VAL B HB 1 ATOM 9338 H HG11 . VAL F 3 94 ? 10.44956 -57.98309 14.88465 1.000 21.86655 ? 93 VAL B HG11 1 ATOM 9339 H HG12 . VAL F 3 94 ? 9.89652 -56.56949 14.41625 1.000 21.86655 ? 93 VAL B HG12 1 ATOM 9340 H HG13 . VAL F 3 94 ? 10.46690 -57.59404 13.34457 1.000 21.86655 ? 93 VAL B HG13 1 ATOM 9341 H HG21 . VAL F 3 94 ? 12.75979 -58.37112 15.20958 1.000 21.59266 ? 93 VAL B HG21 1 ATOM 9342 H HG22 . VAL F 3 94 ? 13.02737 -58.22918 13.65017 1.000 21.59266 ? 93 VAL B HG22 1 ATOM 9343 H HG23 . VAL F 3 94 ? 13.85980 -57.35379 14.68181 1.000 21.59266 ? 93 VAL B HG23 1 ATOM 9344 N N . TYR F 3 95 ? 10.36692 -54.76390 12.05700 1.000 15.53927 ? 94 TYR B N 1 ATOM 9345 C CA . TYR F 3 95 ? 9.28515 -53.84168 11.74845 1.000 16.09042 ? 94 TYR B CA 1 ATOM 9346 C C . TYR F 3 95 ? 7.95836 -54.52475 12.04698 1.000 15.79506 ? 94 TYR B C 1 ATOM 9347 O O . TYR F 3 95 ? 7.72278 -55.64893 11.59950 1.000 16.87948 ? 94 TYR B O 1 ATOM 9348 C CB . TYR F 3 95 ? 9.34806 -53.42825 10.26470 1.000 15.72766 ? 94 TYR B CB 1 ATOM 9349 C CG . TYR F 3 95 ? 10.54328 -52.56390 9.98170 1.000 15.64222 ? 94 TYR B CG 1 ATOM 9350 C CD1 . TYR F 3 95 ? 11.80568 -53.13409 9.81756 1.000 16.27588 ? 94 TYR B CD1 1 ATOM 9351 C CD2 . TYR F 3 95 ? 10.44008 -51.17222 9.97358 1.000 16.56670 ? 94 TYR B CD2 1 ATOM 9352 C CE1 . TYR F 3 95 ? 12.91917 -52.33707 9.64839 1.000 15.97558 ? 94 TYR B CE1 1 ATOM 9353 C CE2 . TYR F 3 95 ? 11.55405 -50.36647 9.77428 1.000 16.20292 ? 94 TYR B CE2 1 ATOM 9354 C CZ . TYR F 3 95 ? 12.78276 -50.96725 9.61589 1.000 16.68865 ? 94 TYR B CZ 1 ATOM 9355 O OH . TYR F 3 95 ? 13.87962 -50.16785 9.46138 1.000 17.95321 ? 94 TYR B OH 1 ATOM 9356 H H . TYR F 3 95 ? 10.43321 -55.40189 11.48414 1.000 18.64390 ? 94 TYR B H 1 ATOM 9357 H HA . TYR F 3 95 ? 9.35235 -53.04469 12.29725 1.000 19.30528 ? 94 TYR B HA 1 ATOM 9358 H HB2 . TYR F 3 95 ? 9.40921 -54.22374 9.71301 1.000 18.86996 ? 94 TYR B HB2 1 ATOM 9359 H HB3 . TYR F 3 95 ? 8.54881 -52.92769 10.03766 1.000 18.86996 ? 94 TYR B HB3 1 ATOM 9360 H HD1 . TYR F 3 95 ? 11.89762 -54.05952 9.82220 1.000 19.52782 ? 94 TYR B HD1 1 ATOM 9361 H HD2 . TYR F 3 95 ? 9.60881 -50.77621 10.10421 1.000 19.87680 ? 94 TYR B HD2 1 ATOM 9362 H HE1 . TYR F 3 95 ? 13.75981 -52.72409 9.55653 1.000 19.16746 ? 94 TYR B HE1 1 ATOM 9363 H HE2 . TYR F 3 95 ? 11.47158 -49.44049 9.74838 1.000 19.44027 ? 94 TYR B HE2 1 ATOM 9364 H HH . TYR F 3 95 ? 14.50795 -50.60574 9.11635 1.000 21.54062 ? 94 TYR B HH 1 ATOM 9365 N N . TYR F 3 96 ? 7.11454 -53.86130 12.82802 1.000 15.75080 ? 95 TYR B N 1 ATOM 9366 C CA . TYR F 3 96 ? 5.80930 -54.38906 13.20279 1.000 14.60905 ? 95 TYR B CA 1 ATOM 9367 C C . TYR F 3 96 ? 4.70836 -53.48714 12.67893 1.000 14.65691 ? 95 TYR B C 1 ATOM 9368 O O . TYR F 3 96 ? 4.79943 -52.27322 12.75763 1.000 15.42203 ? 95 TYR B O 1 ATOM 9369 C CB . TYR F 3 96 ? 5.61761 -54.39142 14.73089 1.000 14.76400 ? 95 TYR B CB 1 ATOM 9370 C CG . TYR F 3 96 ? 6.51573 -55.31452 15.50339 1.000 15.68319 ? 95 TYR B CG 1 ATOM 9371 C CD1 . TYR F 3 96 ? 6.23990 -56.66275 15.61893 1.000 17.83285 ? 95 TYR B CD1 1 ATOM 9372 C CD2 . TYR F 3 96 ? 7.63567 -54.80619 16.14662 1.000 17.68559 ? 95 TYR B CD2 1 ATOM 9373 C CE1 . TYR F 3 96 ? 7.07091 -57.50525 16.33987 1.000 18.35760 ? 95 TYR B CE1 1 ATOM 9374 C CE2 . TYR F 3 96 ? 8.46951 -55.63397 16.87619 1.000 17.03160 ? 95 TYR B CE2 1 ATOM 9375 C CZ . TYR F 3 96 ? 8.17193 -56.97652 16.96291 1.000 17.62017 ? 95 TYR B CZ 1 ATOM 9376 O OH . TYR F 3 96 ? 9.01095 -57.78436 17.71141 1.000 20.69555 ? 95 TYR B OH 1 ATOM 9377 H H . TYR F 3 96 ? 7.27988 -53.08566 13.16065 1.000 18.89773 ? 95 TYR B H 1 ATOM 9378 H HA . TYR F 3 96 ? 5.74409 -55.28338 12.83288 1.000 17.52763 ? 95 TYR B HA 1 ATOM 9379 H HB2 . TYR F 3 96 ? 5.77966 -53.49291 15.05847 1.000 17.71356 ? 95 TYR B HB2 1 ATOM 9380 H HB3 . TYR F 3 96 ? 4.70361 -54.65430 14.92169 1.000 17.71356 ? 95 TYR B HB3 1 ATOM 9381 H HD1 . TYR F 3 96 ? 5.48319 -57.01134 15.20566 1.000 21.39619 ? 95 TYR B HD1 1 ATOM 9382 H HD2 . TYR F 3 96 ? 7.82765 -53.89822 16.08632 1.000 21.21947 ? 95 TYR B HD2 1 ATOM 9383 H HE1 . TYR F 3 96 ? 6.88488 -58.41446 16.40015 1.000 22.02589 ? 95 TYR B HE1 1 ATOM 9384 H HE2 . TYR F 3 96 ? 9.22076 -55.28917 17.30239 1.000 20.43469 ? 95 TYR B HE2 1 ATOM 9385 H HH . TYR F 3 96 ? 8.66114 -58.54045 17.81891 1.000 24.83143 ? 95 TYR B HH 1 ATOM 9386 N N . CYS F 3 97 ? 3.63290 -54.07216 12.21487 1.000 15.02276 ? 96 CYS B N 1 ATOM 9387 C CA . CYS F 3 97 ? 2.42091 -53.29205 12.04640 1.000 15.28678 ? 96 CYS B CA 1 ATOM 9388 C C . CYS F 3 97 ? 1.53321 -53.53243 13.26177 1.000 13.93546 ? 96 CYS B C 1 ATOM 9389 O O . CYS F 3 97 ? 1.60027 -54.58708 13.89934 1.000 15.47066 ? 96 CYS B O 1 ATOM 9390 C CB . CYS F 3 97 ? 1.68743 -53.63483 10.75635 1.000 17.17788 ? 96 CYS B CB 1 ATOM 9391 S SG . CYS F 3 97 ? 1.17904 -55.32917 10.57907 1.000 18.85230 ? 96 CYS B SG 1 ATOM 9392 H H . CYS F 3 97 ? 3.57545 -54.90122 11.99358 1.000 18.02408 ? 96 CYS B H 1 ATOM 9393 H HA . CYS F 3 97 ? 2.63320 -52.34782 11.98122 1.000 18.34091 ? 96 CYS B HA 1 ATOM 9394 H HB2 . CYS F 3 97 ? 0.88739 -53.08849 10.70786 1.000 20.61022 ? 96 CYS B HB2 1 ATOM 9395 H HB3 . CYS F 3 97 ? 2.27370 -53.43152 10.01080 1.000 20.61022 ? 96 CYS B HB3 1 ATOM 9396 N N . ALA F 3 98 ? 0.69387 -52.55575 13.58300 1.000 14.86268 ? 97 ALA B N 1 ATOM 9397 C CA . ALA F 3 98 ? -0.10858 -52.66423 14.79408 1.000 15.90083 ? 97 ALA B CA 1 ATOM 9398 C C . ALA F 3 98 ? -1.35534 -51.80988 14.69285 1.000 16.10132 ? 97 ALA B C 1 ATOM 9399 O O . ALA F 3 98 ? -1.29338 -50.63083 14.31988 1.000 16.55486 ? 97 ALA B O 1 ATOM 9400 C CB . ALA F 3 98 ? 0.68932 -52.22451 16.02591 1.000 18.96242 ? 97 ALA B CB 1 ATOM 9401 H H . ALA F 3 98 ? 0.57359 -51.83672 13.12679 1.000 17.83199 ? 97 ALA B H 1 ATOM 9402 H HA . ALA F 3 98 ? -0.38110 -53.59095 14.88248 1.000 19.07777 ? 97 ALA B HA 1 ATOM 9403 H HB1 . ALA F 3 98 ? 0.13007 -52.31508 16.81327 1.000 22.75167 ? 97 ALA B HB1 1 ATOM 9404 H HB2 . ALA F 3 98 ? 1.47440 -52.78778 16.11124 1.000 22.75167 ? 97 ALA B HB2 1 ATOM 9405 H HB3 . ALA F 3 98 ? 0.95688 -51.29877 15.91494 1.000 22.75167 ? 97 ALA B HB3 1 ATOM 9406 N N . ARG F 3 99 ? -2.47943 -52.39450 15.08033 1.000 15.80657 ? 98 ARG B N 1 ATOM 9407 C CA . ARG F 3 99 ? -3.76464 -51.72500 14.98379 1.000 14.15395 ? 98 ARG B CA 1 ATOM 9408 C C . ARG F 3 99 ? -4.02112 -50.86324 16.20306 1.000 14.88059 ? 98 ARG B C 1 ATOM 9409 O O . ARG F 3 99 ? -3.79370 -51.29767 17.33629 1.000 15.57765 ? 98 ARG B O 1 ATOM 9410 C CB . ARG F 3 99 ? -4.84085 -52.78361 14.90086 1.000 14.41677 ? 98 ARG B CB 1 ATOM 9411 C CG . ARG F 3 99 ? -6.22464 -52.20035 14.65511 1.000 15.01277 ? 98 ARG B CG 1 ATOM 9412 C CD . ARG F 3 99 ? -7.27008 -53.28608 14.58760 1.000 17.23511 ? 98 ARG B CD 1 ATOM 9413 N NE . ARG F 3 99 ? -7.65397 -53.78535 15.90366 1.000 17.99669 ? 98 ARG B NE 1 ATOM 9414 C CZ . ARG F 3 99 ? -8.63478 -54.65699 16.08436 1.000 19.52626 ? 98 ARG B CZ 1 ATOM 9415 N NH1 . ARG F 3 99 ? -9.28183 -55.18332 15.05729 1.000 22.34985 ? 98 ARG B NH1 1 ATOM 9416 N NH2 . ARG F 3 99 ? -8.99102 -54.99277 17.32202 1.000 22.64853 ? 98 ARG B NH2 1 ATOM 9417 H H . ARG F 3 99 ? -2.52327 -53.18897 15.40666 1.000 18.96465 ? 98 ARG B H 1 ATOM 9418 H HA . ARG F 3 99 ? -3.77631 -51.14715 14.20479 1.000 16.98151 ? 98 ARG B HA 1 ATOM 9419 H HB2 . ARG F 3 99 ? -4.63486 -53.38618 14.16917 1.000 17.29689 ? 98 ARG B HB2 1 ATOM 9420 H HB3 . ARG F 3 99 ? -4.86607 -53.27398 15.73740 1.000 17.29689 ? 98 ARG B HB3 1 ATOM 9421 H HG2 . ARG F 3 99 ? -6.45447 -51.59873 15.38046 1.000 18.01209 ? 98 ARG B HG2 1 ATOM 9422 H HG3 . ARG F 3 99 ? -6.22715 -51.72012 13.81234 1.000 18.01209 ? 98 ARG B HG3 1 ATOM 9423 H HD2 . ARG F 3 99 ? -8.06481 -52.93315 14.15777 1.000 20.67890 ? 98 ARG B HD2 1 ATOM 9424 H HD3 . ARG F 3 99 ? -6.91905 -54.03128 14.07540 1.000 20.67890 ? 98 ARG B HD3 1 ATOM 9425 H HE . ARG F 3 99 ? -7.22451 -53.50118 16.59244 1.000 21.59280 ? 98 ARG B HE 1 ATOM 9426 H HH11 . ARG F 3 99 ? -9.06795 -54.96081 14.25458 1.000 26.81659 ? 98 ARG B HH11 1 ATOM 9427 H HH12 . ARG F 3 99 ? -9.91630 -55.74794 15.19242 1.000 26.81659 ? 98 ARG B HH12 1 ATOM 9428 H HH21 . ARG F 3 99 ? -8.58539 -54.64454 17.99567 1.000 27.17500 ? 98 ARG B HH21 1 ATOM 9429 H HH22 . ARG F 3 99 ? -9.62684 -55.55796 17.44809 1.000 27.17500 ? 98 ARG B HH22 1 ATOM 9430 N N . ASP F 3 100 ? -4.49069 -49.64725 15.96032 1.000 13.98070 ? 99 ASP B N 1 ATOM 9431 C CA . ASP F 3 100 ? -5.00564 -48.75798 17.01029 1.000 15.92547 ? 99 ASP B CA 1 ATOM 9432 C C . ASP F 3 100 ? -6.36383 -49.28429 17.45585 1.000 16.26584 ? 99 ASP B C 1 ATOM 9433 O O . ASP F 3 100 ? -7.25721 -49.48423 16.63794 1.000 17.12369 ? 99 ASP B O 1 ATOM 9434 C CB . ASP F 3 100 ? -5.13565 -47.35612 16.43185 1.000 17.44479 ? 99 ASP B CB 1 ATOM 9435 C CG . ASP F 3 100 ? -5.57102 -46.30401 17.44345 1.000 17.04626 ? 99 ASP B CG 1 ATOM 9436 O OD1 . ASP F 3 100 ? -6.57798 -46.53215 18.16214 1.000 16.84890 ? 99 ASP B OD1 1 ATOM 9437 O OD2 . ASP F 3 100 ? -4.93907 -45.20414 17.47326 1.000 17.06951 -1 99 ASP B OD2 1 ATOM 9438 H H . ASP F 3 100 ? -4.52619 -49.29673 15.17580 1.000 16.77361 ? 99 ASP B H 1 ATOM 9439 H HA . ASP F 3 100 ? -4.41182 -48.72796 17.77669 1.000 19.10734 ? 99 ASP B HA 1 ATOM 9440 H HB2 . ASP F 3 100 ? -4.27444 -47.08490 16.07739 1.000 20.93052 ? 99 ASP B HB2 1 ATOM 9441 H HB3 . ASP F 3 100 ? -5.79632 -47.37276 15.72181 1.000 20.93052 ? 99 ASP B HB3 1 ATOM 9442 N N . ASN F 3 101 ? -6.51972 -49.52375 18.75011 1.000 16.01285 ? 100 ASN B N 1 ATOM 9443 C CA . ASN F 3 101 ? -7.71516 -50.18552 19.25182 1.000 16.27678 ? 100 ASN B CA 1 ATOM 9444 C C . ASN F 3 101 ? -8.97990 -49.36275 19.03497 1.000 16.76111 ? 100 ASN B C 1 ATOM 9445 O O . ASN F 3 101 ? -10.07443 -49.93242 18.93106 1.000 18.07534 ? 100 ASN B O 1 ATOM 9446 C CB . ASN F 3 101 ? -7.54435 -50.44349 20.75510 1.000 16.37057 ? 100 ASN B CB 1 ATOM 9447 C CG . ASN F 3 101 ? -8.85387 -50.78081 21.43581 1.000 17.84208 ? 100 ASN B CG 1 ATOM 9448 O OD1 . ASN F 3 101 ? -9.50507 -49.90932 22.03849 1.000 19.97257 ? 100 ASN B OD1 1 ATOM 9449 N ND2 . ASN F 3 101 ? -9.24871 -52.03255 21.35609 1.000 19.93967 ? 100 ASN B ND2 1 ATOM 9450 H H . ASN F 3 101 ? -5.94990 -49.31402 19.35914 1.000 19.21219 ? 100 ASN B H 1 ATOM 9451 H HA . ASN F 3 101 ? -7.82140 -51.02371 18.77532 1.000 19.52891 ? 100 ASN B HA 1 ATOM 9452 H HB2 . ASN F 3 101 ? -6.93776 -51.18968 20.88213 1.000 19.64145 ? 100 ASN B HB2 1 ATOM 9453 H HB3 . ASN F 3 101 ? -7.18303 -49.64707 21.17471 1.000 19.64145 ? 100 ASN B HB3 1 ATOM 9454 H HD21 . ASN F 3 101 ? -9.98603 -52.27527 21.72629 1.000 23.92437 ? 100 ASN B HD21 1 ATOM 9455 H HD22 . ASN F 3 101 ? -8.76962 -52.60849 20.93376 1.000 23.92437 ? 100 ASN B HD22 1 ATOM 9456 N N . LEU F 3 102 ? -8.87190 -48.03336 18.98359 1.000 16.39107 ? 101 LEU B N 1 ATOM 9457 C CA . LEU F 3 102 ? -10.04974 -47.16375 18.96234 1.000 16.50076 ? 101 LEU B CA 1 ATOM 9458 C C . LEU F 3 102 ? -10.32596 -46.72704 17.52343 1.000 16.62731 ? 101 LEU B C 1 ATOM 9459 O O . LEU F 3 102 ? -9.61942 -45.88262 16.97309 1.000 15.79641 ? 101 LEU B O 1 ATOM 9460 C CB . LEU F 3 102 ? -9.84146 -45.95666 19.86691 1.000 16.78705 ? 101 LEU B CB 1 ATOM 9461 C CG . LEU F 3 102 ? -11.01359 -44.98736 19.99187 1.000 18.29235 ? 101 LEU B CG 1 ATOM 9462 C CD1 . LEU F 3 102 ? -12.22471 -45.65548 20.64478 1.000 20.07477 ? 101 LEU B CD1 1 ATOM 9463 C CD2 . LEU F 3 102 ? -10.58996 -43.76892 20.79896 1.000 20.76393 ? 101 LEU B CD2 1 ATOM 9464 H H . LEU F 3 102 ? -8.12343 -47.61047 18.96017 1.000 19.66605 ? 101 LEU B H 1 ATOM 9465 H HA . LEU F 3 102 ? -10.81823 -47.66413 19.27847 1.000 19.79768 ? 101 LEU B HA 1 ATOM 9466 H HB2 . LEU F 3 102 ? -9.64367 -46.28094 20.75945 1.000 20.14123 ? 101 LEU B HB2 1 ATOM 9467 H HB3 . LEU F 3 102 ? -9.08867 -45.45046 19.52345 1.000 20.14123 ? 101 LEU B HB3 1 ATOM 9468 H HG . LEU F 3 102 ? -11.28034 -44.70513 19.10300 1.000 21.94759 ? 101 LEU B HG 1 ATOM 9469 H HD11 . LEU F 3 102 ? -12.92764 -44.99626 20.75526 1.000 24.08649 ? 101 LEU B HD11 1 ATOM 9470 H HD12 . LEU F 3 102 ? -12.53382 -46.37611 20.07379 1.000 24.08649 ? 101 LEU B HD12 1 ATOM 9471 H HD13 . LEU F 3 102 ? -11.96283 -46.00791 21.50972 1.000 24.08649 ? 101 LEU B HD13 1 ATOM 9472 H HD21 . LEU F 3 102 ? -11.34413 -43.16390 20.87684 1.000 24.91348 ? 101 LEU B HD21 1 ATOM 9473 H HD22 . LEU F 3 102 ? -10.30490 -44.05733 21.68014 1.000 24.91348 ? 101 LEU B HD22 1 ATOM 9474 H HD23 . LEU F 3 102 ? -9.85708 -43.32693 20.34242 1.000 24.91348 ? 101 LEU B HD23 1 ATOM 9475 N N . GLY F 3 103 ? -11.38202 -47.27426 16.94284 1.000 17.52042 ? 102 GLY B N 1 ATOM 9476 C CA . GLY F 3 103 ? -11.74729 -46.89925 15.58946 1.000 17.27841 ? 102 GLY B CA 1 ATOM 9477 C C . GLY F 3 103 ? -12.08860 -45.42469 15.47541 1.000 16.43408 ? 102 GLY B C 1 ATOM 9478 O O . GLY F 3 103 ? -12.48044 -44.74683 16.43891 1.000 16.24520 ? 102 GLY B O 1 ATOM 9479 H H . GLY F 3 103 ? -11.89784 -47.85844 17.30653 1.000 21.02128 ? 102 GLY B H 1 ATOM 9480 H HA2 . GLY F 3 103 ? -11.00730 -47.08962 14.99191 1.000 20.73086 ? 102 GLY B HA2 1 ATOM 9481 H HA3 . GLY F 3 103 ? -12.51971 -47.41510 15.30990 1.000 20.73086 ? 102 GLY B HA3 1 ATOM 9482 N N . TYR F 3 104 ? -11.99863 -44.92434 14.24213 1.000 15.75772 ? 103 TYR B N 1 ATOM 9483 C CA . TYR F 3 104 ? -12.27295 -43.52439 13.99070 1.000 15.86733 ? 103 TYR B CA 1 ATOM 9484 C C . TYR F 3 104 ? -13.73051 -43.25651 13.67293 1.000 15.62377 ? 103 TYR B C 1 ATOM 9485 O O . TYR F 3 104 ? -14.15744 -42.11397 13.78706 1.000 16.91241 ? 103 TYR B O 1 ATOM 9486 C CB . TYR F 3 104 ? -11.37644 -42.97442 12.86785 1.000 16.08241 ? 103 TYR B CB 1 ATOM 9487 C CG . TYR F 3 104 ? -10.05277 -42.56535 13.45818 1.000 15.84281 ? 103 TYR B CG 1 ATOM 9488 C CD1 . TYR F 3 104 ? -9.04536 -43.48596 13.67465 1.000 16.04326 ? 103 TYR B CD1 1 ATOM 9489 C CD2 . TYR F 3 104 ? -9.85647 -41.27095 13.89791 1.000 14.88780 ? 103 TYR B CD2 1 ATOM 9490 C CE1 . TYR F 3 104 ? -7.83736 -43.10608 14.28199 1.000 15.75806 ? 103 TYR B CE1 1 ATOM 9491 C CE2 . TYR F 3 104 ? -8.69296 -40.87784 14.50105 1.000 16.63819 ? 103 TYR B CE2 1 ATOM 9492 C CZ . TYR F 3 104 ? -7.66967 -41.80366 14.67335 1.000 15.27795 ? 103 TYR B CZ 1 ATOM 9493 O OH . TYR F 3 104 ? -6.48421 -41.37894 15.26375 1.000 16.06246 ? 103 TYR B OH 1 ATOM 9494 H H . TYR F 3 104 ? -11.78164 -45.37776 13.54433 1.000 18.90604 ? 103 TYR B H 1 ATOM 9495 H HA . TYR F 3 104 ? -12.04982 -43.02160 14.78964 1.000 19.03757 ? 103 TYR B HA 1 ATOM 9496 H HB2 . TYR F 3 104 ? -11.22626 -43.66046 12.19875 1.000 19.29566 ? 103 TYR B HB2 1 ATOM 9497 H HB3 . TYR F 3 104 ? -11.79448 -42.19964 12.46058 1.000 19.29566 ? 103 TYR B HB3 1 ATOM 9498 H HD1 . TYR F 3 104 ? -9.16906 -44.37018 13.41433 1.000 19.24868 ? 103 TYR B HD1 1 ATOM 9499 H HD2 . TYR F 3 104 ? -10.53619 -40.64719 13.78042 1.000 17.86213 ? 103 TYR B HD2 1 ATOM 9500 H HE1 . TYR F 3 104 ? -7.16074 -43.72974 14.41666 1.000 18.90644 ? 103 TYR B HE1 1 ATOM 9501 H HE2 . TYR F 3 104 ? -8.58758 -40.00104 14.79261 1.000 19.96260 ? 103 TYR B HE2 1 ATOM 9502 H HH . TYR F 3 104 ? -5.99635 -42.04048 15.43684 1.000 19.27172 ? 103 TYR B HH 1 ATOM 9503 N N . CYS F 3 105 ? -14.50750 -44.27014 13.29773 1.000 16.17862 ? 104 CYS B N 1 ATOM 9504 C CA . CYS F 3 105 ? -15.88042 -44.02731 12.88140 1.000 16.83989 ? 104 CYS B CA 1 ATOM 9505 C C . CYS F 3 105 ? -16.80842 -45.13404 13.36877 1.000 18.07833 ? 104 CYS B C 1 ATOM 9506 O O . CYS F 3 105 ? -16.39758 -46.28692 13.58720 1.000 21.28622 ? 104 CYS B O 1 ATOM 9507 C CB . CYS F 3 105 ? -16.03170 -43.95245 11.35699 1.000 18.32563 ? 104 CYS B CB 1 ATOM 9508 S SG . CYS F 3 105 ? -14.94683 -42.83697 10.48687 1.000 20.24765 ? 104 CYS B SG 1 ATOM 9509 H H . CYS F 3 105 ? -14.26312 -45.09443 13.27714 1.000 19.41111 ? 104 CYS B H 1 ATOM 9510 H HA . CYS F 3 105 ? -16.14607 -43.18592 13.28440 1.000 20.20463 ? 104 CYS B HA 1 ATOM 9511 H HB2 . CYS F 3 105 ? -15.87191 -44.83895 10.99715 1.000 21.98752 ? 104 CYS B HB2 1 ATOM 9512 H HB3 . CYS F 3 105 ? -16.93960 -43.67327 11.16034 1.000 21.98752 ? 104 CYS B HB3 1 ATOM 9513 N N . SER F 3 106 ? -18.07771 -44.77137 13.50336 1.000 18.23882 ? 105 SER B N 1 ATOM 9514 C CA . SER F 3 106 ? -19.13694 -45.71790 13.82281 1.000 19.24097 ? 105 SER B CA 1 ATOM 9515 C C . SER F 3 106 ? -20.47193 -45.00730 13.65610 1.000 19.79465 ? 105 SER B C 1 ATOM 9516 O O . SER F 3 106 ? -20.58645 -43.79255 13.86373 1.000 19.40119 ? 105 SER B O 1 ATOM 9517 C CB . SER F 3 106 ? -19.01786 -46.24794 15.25897 1.000 22.17649 ? 105 SER B CB 1 ATOM 9518 O OG . SER F 3 106 ? -19.20447 -45.21015 16.16649 1.000 23.57890 ? 105 SER B OG 1 ATOM 9519 H H . SER F 3 106 ? -18.35770 -43.96334 13.41233 1.000 21.88336 ? 105 SER B H 1 ATOM 9520 H HA . SER F 3 106 ? -19.08947 -46.47002 13.21210 1.000 23.08593 ? 105 SER B HA 1 ATOM 9521 H HB2 . SER F 3 106 ? -19.69562 -46.92612 15.40601 1.000 26.60856 ? 105 SER B HB2 1 ATOM 9522 H HB3 . SER F 3 106 ? -18.13473 -46.62836 15.38647 1.000 26.60856 ? 105 SER B HB3 1 ATOM 9523 H HG . SER F 3 106 ? -19.13263 -45.49899 16.95198 1.000 28.29145 ? 105 SER B HG 1 ATOM 9524 N N . GLY F 3 107 ? -21.47805 -45.78210 13.27329 1.000 21.36790 ? 106 GLY B N 1 ATOM 9525 C CA . GLY F 3 107 ? -22.81440 -45.23966 13.12452 1.000 22.18443 ? 106 GLY B CA 1 ATOM 9526 C C . GLY F 3 107 ? -22.92420 -44.06974 12.16975 1.000 20.84818 ? 106 GLY B C 1 ATOM 9527 O O . GLY F 3 107 ? -23.86096 -43.27240 12.28089 1.000 23.30794 ? 106 GLY B O 1 ATOM 9528 H H . GLY F 3 107 ? -21.41139 -46.62077 13.09496 1.000 25.63825 ? 106 GLY B H 1 ATOM 9529 H HA2 . GLY F 3 107 ? -23.40032 -45.94155 12.80057 1.000 26.61808 ? 106 GLY B HA2 1 ATOM 9530 H HA3 . GLY F 3 107 ? -23.12763 -44.94267 13.99319 1.000 26.61808 ? 106 GLY B HA3 1 ATOM 9531 N N . GLY F 3 108 ? -22.01942 -43.95729 11.20018 1.000 19.52040 ? 107 GLY B N 1 ATOM 9532 C CA . GLY F 3 108 ? -22.11180 -42.88342 10.23285 1.000 18.97768 ? 107 GLY B CA 1 ATOM 9533 C C . GLY F 3 108 ? -21.49874 -41.56989 10.65342 1.000 17.08078 ? 107 GLY B C 1 ATOM 9534 O O . GLY F 3 108 ? -21.77273 -40.54875 10.00945 1.000 18.18417 ? 107 GLY B O 1 ATOM 9535 H H . GLY F 3 108 ? -21.35198 -44.48783 11.08767 1.000 23.42125 ? 107 GLY B H 1 ATOM 9536 H HA2 . GLY F 3 108 ? -21.66828 -43.16530 9.41754 1.000 22.76999 ? 107 GLY B HA2 1 ATOM 9537 H HA3 . GLY F 3 108 ? -23.04899 -42.72102 10.04260 1.000 22.76999 ? 107 GLY B HA3 1 ATOM 9538 N N . SER F 3 109 ? -20.64017 -41.56212 11.67405 1.000 15.17872 ? 108 SER B N 1 ATOM 9539 C CA . SER F 3 109 ? -19.94684 -40.34790 12.07926 1.000 14.75492 ? 108 SER B CA 1 ATOM 9540 C C . SER F 3 109 ? -18.56032 -40.74495 12.55248 1.000 14.54013 ? 108 SER B C 1 ATOM 9541 O O . SER F 3 109 ? -18.28431 -41.91531 12.82091 1.000 16.23575 ? 108 SER B O 1 ATOM 9542 C CB . SER F 3 109 ? -20.70890 -39.59860 13.19469 1.000 17.05555 ? 108 SER B CB 1 ATOM 9543 O OG . SER F 3 109 ? -21.09828 -40.48827 14.23106 1.000 19.67974 ? 108 SER B OG 1 ATOM 9544 H H . SER F 3 109 ? -20.44370 -42.25253 12.14769 1.000 18.21124 ? 108 SER B H 1 ATOM 9545 H HA . SER F 3 109 ? -19.86383 -39.74393 11.32479 1.000 17.70267 ? 108 SER B HA 1 ATOM 9546 H HB2 . SER F 3 109 ? -20.13035 -38.91487 13.56712 1.000 20.46343 ? 108 SER B HB2 1 ATOM 9547 H HB3 . SER F 3 109 ? -21.50270 -39.19063 12.81477 1.000 20.46343 ? 108 SER B HB3 1 ATOM 9548 H HG . SER F 3 109 ? -21.58506 -40.08742 14.78601 1.000 23.61246 ? 108 SER B HG 1 ATOM 9549 N N . CYS F 3 110 ? -17.67550 -39.76391 12.63046 1.000 14.54181 ? 109 CYS B N 1 ATOM 9550 C CA . CYS F 3 110 ? -16.26565 -40.03859 12.82945 1.000 15.62321 ? 109 CYS B CA 1 ATOM 9551 C C . CYS F 3 110 ? -15.63641 -38.99624 13.74350 1.000 15.69867 ? 109 CYS B C 1 ATOM 9552 O O . CYS F 3 110 ? -16.09022 -37.85466 13.82498 1.000 16.71146 ? 109 CYS B O 1 ATOM 9553 C CB . CYS F 3 110 ? -15.50347 -39.96509 11.50275 1.000 18.16865 ? 109 CYS B CB 1 ATOM 9554 S SG . CYS F 3 110 ? -16.05267 -41.03787 10.17093 1.000 20.82647 ? 109 CYS B SG 1 ATOM 9555 H H . CYS F 3 110 ? -17.86930 -38.92817 12.57064 1.000 17.44694 ? 109 CYS B H 1 ATOM 9556 H HA . CYS F 3 110 ? -16.18777 -40.91507 13.23764 1.000 18.74463 ? 109 CYS B HA 1 ATOM 9557 H HB2 . CYS F 3 110 ? -15.56695 -39.05485 11.17361 1.000 21.79915 ? 109 CYS B HB2 1 ATOM 9558 H HB3 . CYS F 3 110 ? -14.57665 -40.19003 11.67964 1.000 21.79915 ? 109 CYS B HB3 1 ATOM 9559 N N . TYR F 3 111 ? -14.55835 -39.39053 14.41730 1.000 15.25181 ? 110 TYR B N 1 ATOM 9560 C CA . TYR F 3 111 ? -13.80689 -38.42813 15.20929 1.000 15.17594 ? 110 TYR B CA 1 ATOM 9561 C C . TYR F 3 111 ? -13.15252 -37.38555 14.30826 1.000 15.93818 ? 110 TYR B C 1 ATOM 9562 O O . TYR F 3 111 ? -12.86477 -37.63107 13.13548 1.000 17.16292 ? 110 TYR B O 1 ATOM 9563 C CB . TYR F 3 111 ? -12.73072 -39.14787 16.01702 1.000 15.38124 ? 110 TYR B CB 1 ATOM 9564 C CG . TYR F 3 111 ? -13.28088 -39.95487 17.15788 1.000 14.03086 ? 110 TYR B CG 1 ATOM 9565 C CD1 . TYR F 3 111 ? -13.98797 -39.33083 18.19069 1.000 15.17410 ? 110 TYR B CD1 1 ATOM 9566 C CD2 . TYR F 3 111 ? -13.04989 -41.32105 17.25518 1.000 13.65206 ? 110 TYR B CD2 1 ATOM 9567 C CE1 . TYR F 3 111 ? -14.46361 -40.05771 19.25624 1.000 15.16973 ? 110 TYR B CE1 1 ATOM 9568 C CE2 . TYR F 3 111 ? -13.51945 -42.04819 18.32222 1.000 15.94655 ? 110 TYR B CE2 1 ATOM 9569 C CZ . TYR F 3 111 ? -14.23469 -41.41245 19.30693 1.000 15.96016 ? 110 TYR B CZ 1 ATOM 9570 O OH . TYR F 3 111 ? -14.72020 -42.17825 20.33458 1.000 17.91271 ? 110 TYR B OH 1 ATOM 9571 H H . TYR F 3 111 ? -14.24954 -40.19306 14.43067 1.000 18.29894 ? 110 TYR B H 1 ATOM 9572 H HA . TYR F 3 111 ? -14.40653 -37.97163 15.81997 1.000 18.20790 ? 110 TYR B HA 1 ATOM 9573 H HB2 . TYR F 3 111 ? -12.24988 -39.75196 15.42985 1.000 18.45425 ? 110 TYR B HB2 1 ATOM 9574 H HB3 . TYR F 3 111 ? -12.12198 -38.48852 16.38524 1.000 18.45425 ? 110 TYR B HB3 1 ATOM 9575 H HD1 . TYR F 3 111 ? -14.13810 -38.41368 18.15624 1.000 18.20569 ? 110 TYR B HD1 1 ATOM 9576 H HD2 . TYR F 3 111 ? -12.56860 -41.75146 16.58585 1.000 16.37924 ? 110 TYR B HD2 1 ATOM 9577 H HE1 . TYR F 3 111 ? -14.93643 -39.63643 19.93731 1.000 18.20045 ? 110 TYR B HE1 1 ATOM 9578 H HE2 . TYR F 3 111 ? -13.35451 -42.96180 18.37697 1.000 19.13263 ? 110 TYR B HE2 1 ATOM 9579 H HH . TYR F 3 111 ? -15.05140 -41.68526 20.92861 1.000 21.49202 ? 110 TYR B HH 1 ATOM 9580 N N . SER F 3 112 ? -12.88318 -36.22139 14.89478 1.000 16.02466 ? 111 SER B N 1 ATOM 9581 C CA . SER F 3 112 ? -12.34196 -35.06765 14.20983 1.000 17.08695 ? 111 SER B CA 1 ATOM 9582 C C . SER F 3 112 ? -10.82712 -35.05819 14.13031 1.000 18.50228 ? 111 SER B C 1 ATOM 9583 O O . SER F 3 112 ? -10.28202 -34.51768 13.16575 1.000 18.88904 ? 111 SER B O 1 ATOM 9584 C CB . SER F 3 112 ? -12.71953 -33.79823 14.96991 1.000 20.43210 ? 111 SER B CB 1 ATOM 9585 O OG . SER F 3 112 ? -14.10103 -33.50317 14.87744 1.000 22.39475 ? 111 SER B OG 1 ATOM 9586 H H . SER F 3 112 ? -13.01404 -36.07325 15.73176 1.000 19.22636 ? 111 SER B H 1 ATOM 9587 H HA . SER F 3 112 ? -12.71402 -35.06729 13.31402 1.000 20.50111 ? 111 SER B HA 1 ATOM 9588 H HB2 . SER F 3 112 ? -12.49079 -33.91802 15.90491 1.000 24.51529 ? 111 SER B HB2 1 ATOM 9589 H HB3 . SER F 3 112 ? -12.21901 -33.05496 14.59850 1.000 24.51529 ? 111 SER B HB3 1 ATOM 9590 H HG . SER F 3 112 ? -14.55172 -34.20597 14.96988 1.000 26.87046 ? 111 SER B HG 1 ATOM 9591 N N . ASP F 3 113 ? -10.12340 -35.59229 15.12804 1.000 18.15762 ? 112 ASP B N 1 ATOM 9592 C CA . ASP F 3 113 ? -8.69179 -35.36467 15.26308 1.000 18.77119 ? 112 ASP B CA 1 ATOM 9593 C C . ASP F 3 113 ? -7.93870 -36.68101 15.31899 1.000 17.28243 ? 112 ASP B C 1 ATOM 9594 O O . ASP F 3 113 ? -8.43271 -37.68321 15.81706 1.000 17.80863 ? 112 ASP B O 1 ATOM 9595 C CB . ASP F 3 113 ? -8.37479 -34.61321 16.55903 1.000 21.50741 ? 112 ASP B CB 1 ATOM 9596 C CG . ASP F 3 113 ? -8.93156 -33.21215 16.58317 1.000 27.24132 ? 112 ASP B CG 1 ATOM 9597 O OD1 . ASP F 3 113 ? -9.12867 -32.62830 15.49623 1.000 29.23489 ? 112 ASP B OD1 1 ATOM 9598 O OD2 . ASP F 3 113 ? -9.15824 -32.68831 17.70436 1.000 31.44774 -1 112 ASP B OD2 1 ATOM 9599 H H . ASP F 3 113 ? -10.45866 -36.09307 15.74157 1.000 21.78592 ? 112 ASP B H 1 ATOM 9600 H HA . ASP F 3 113 ? -8.39437 -34.85575 14.49272 1.000 22.52219 ? 112 ASP B HA 1 ATOM 9601 H HB2 . ASP F 3 113 ? -8.75755 -35.09920 17.30616 1.000 25.80567 ? 112 ASP B HB2 1 ATOM 9602 H HB3 . ASP F 3 113 ? -7.41197 -34.55335 16.66051 1.000 25.80567 ? 112 ASP B HB3 1 ATOM 9603 N N . TYR F 3 114 ? -6.70874 -36.65802 14.84548 1.000 17.06121 ? 113 TYR B N 1 ATOM 9604 C CA . TYR F 3 114 ? -5.84512 -37.81395 14.99422 1.000 19.51094 ? 113 TYR B CA 1 ATOM 9605 C C . TYR F 3 114 ? -5.39526 -37.92458 16.44031 1.000 19.90148 ? 113 TYR B C 1 ATOM 9606 O O . TYR F 3 114 ? -4.95949 -36.94119 17.04082 1.000 21.26999 ? 113 TYR B O 1 ATOM 9607 C CB . TYR F 3 114 ? -4.56312 -37.63990 14.17592 1.000 22.10364 ? 113 TYR B CB 1 ATOM 9608 C CG . TYR F 3 114 ? -4.77586 -37.38103 12.73495 1.000 21.65132 ? 113 TYR B CG 1 ATOM 9609 C CD1 . TYR F 3 114 ? -4.22985 -36.26838 12.14008 1.000 22.32477 ? 113 TYR B CD1 1 ATOM 9610 C CD2 . TYR F 3 114 ? -5.53160 -38.25804 11.96042 1.000 23.78248 ? 113 TYR B CD2 1 ATOM 9611 C CE1 . TYR F 3 114 ? -4.41559 -36.03273 10.78610 1.000 23.74582 ? 113 TYR B CE1 1 ATOM 9612 C CE2 . TYR F 3 114 ? -5.71148 -38.04786 10.62158 1.000 25.57135 ? 113 TYR B CE2 1 ATOM 9613 C CZ . TYR F 3 114 ? -5.15314 -36.92246 10.04661 1.000 25.94334 ? 113 TYR B CZ 1 ATOM 9614 O OH . TYR F 3 114 ? -5.35485 -36.69362 8.69863 1.000 30.01665 ? 113 TYR B OH 1 ATOM 9615 H H . TYR F 3 114 ? -6.35078 -35.99139 14.43673 1.000 20.47023 ? 113 TYR B H 1 ATOM 9616 H HA . TYR F 3 114 ? -6.33182 -38.60048 14.70201 1.000 23.40989 ? 113 TYR B HA 1 ATOM 9617 H HB2 . TYR F 3 114 ? -4.06736 -36.88838 14.53695 1.000 26.52114 ? 113 TYR B HB2 1 ATOM 9618 H HB3 . TYR F 3 114 ? -4.03722 -38.45143 14.25170 1.000 26.52114 ? 113 TYR B HB3 1 ATOM 9619 H HD1 . TYR F 3 114 ? -3.73254 -35.66965 12.64911 1.000 26.78649 ? 113 TYR B HD1 1 ATOM 9620 H HD2 . TYR F 3 114 ? -5.92135 -39.00093 12.36180 1.000 28.53575 ? 113 TYR B HD2 1 ATOM 9621 H HE1 . TYR F 3 114 ? -4.04462 -35.28057 10.38417 1.000 28.49175 ? 113 TYR B HE1 1 ATOM 9622 H HE2 . TYR F 3 114 ? -6.19982 -38.65025 10.10820 1.000 30.68239 ? 113 TYR B HE2 1 ATOM 9623 H HH . TYR F 3 114 ? -5.85581 -37.28694 8.37831 1.000 36.01674 ? 113 TYR B HH 1 ATOM 9624 N N . TYR F 3 115 ? -5.44658 -39.13694 16.97486 1.000 18.04769 ? 114 TYR B N 1 ATOM 9625 C CA . TYR F 3 115 ? -4.86813 -39.41171 18.29243 1.000 18.47483 ? 114 TYR B CA 1 ATOM 9626 C C . TYR F 3 115 ? -4.59510 -40.90736 18.35562 1.000 18.31328 ? 114 TYR B C 1 ATOM 9627 O O . TYR F 3 115 ? -5.54224 -41.70910 18.30651 1.000 18.78127 ? 114 TYR B O 1 ATOM 9628 C CB . TYR F 3 115 ? -5.80709 -38.97046 19.41498 1.000 18.85116 ? 114 TYR B CB 1 ATOM 9629 C CG . TYR F 3 115 ? -5.11164 -38.91901 20.76402 1.000 19.46558 ? 114 TYR B CG 1 ATOM 9630 C CD1 . TYR F 3 115 ? -4.92353 -40.06804 21.50042 1.000 19.71146 ? 114 TYR B CD1 1 ATOM 9631 C CD2 . TYR F 3 115 ? -4.64141 -37.71569 21.26507 1.000 20.11104 ? 114 TYR B CD2 1 ATOM 9632 C CE1 . TYR F 3 115 ? -4.28003 -40.03766 22.73304 1.000 21.52706 ? 114 TYR B CE1 1 ATOM 9633 C CE2 . TYR F 3 115 ? -3.99689 -37.66734 22.50016 1.000 20.70170 ? 114 TYR B CE2 1 ATOM 9634 C CZ . TYR F 3 115 ? -3.82839 -38.83026 23.21164 1.000 22.07215 ? 114 TYR B CZ 1 ATOM 9635 O OH . TYR F 3 115 ? -3.18121 -38.78928 24.42958 1.000 23.22317 ? 114 TYR B OH 1 ATOM 9636 H H . TYR F 3 115 ? -5.80939 -39.82014 16.59910 1.000 21.65399 ? 114 TYR B H 1 ATOM 9637 H HA . TYR F 3 115 ? -4.03374 -38.92729 18.39256 1.000 22.16656 ? 114 TYR B HA 1 ATOM 9638 H HB2 . TYR F 3 115 ? -6.14499 -38.08337 19.21549 1.000 22.61816 ? 114 TYR B HB2 1 ATOM 9639 H HB3 . TYR F 3 115 ? -6.54296 -39.59924 19.47847 1.000 22.61816 ? 114 TYR B HB3 1 ATOM 9640 H HD1 . TYR F 3 115 ? -5.23268 -40.87933 21.16702 1.000 23.65053 ? 114 TYR B HD1 1 ATOM 9641 H HD2 . TYR F 3 115 ? -4.75668 -36.93455 20.77371 1.000 24.13001 ? 114 TYR B HD2 1 ATOM 9642 H HE1 . TYR F 3 115 ? -4.15766 -40.81818 23.22367 1.000 25.82924 ? 114 TYR B HE1 1 ATOM 9643 H HE2 . TYR F 3 115 ? -3.68523 -36.85881 22.83786 1.000 24.83881 ? 114 TYR B HE2 1 ATOM 9644 H HH . TYR F 3 115 ? -2.91218 -38.00902 24.58585 1.000 27.86458 ? 114 TYR B HH 1 ATOM 9645 N N . TYR F 3 116 ? -3.31065 -41.28506 18.43234 1.000 17.73551 ? 115 TYR B N 1 ATOM 9646 C CA . TYR F 3 116 ? -2.92475 -42.69244 18.42381 1.000 16.95926 ? 115 TYR B CA 1 ATOM 9647 C C . TYR F 3 116 ? -3.06674 -43.24457 19.83526 1.000 18.01293 ? 115 TYR B C 1 ATOM 9648 O O . TYR F 3 116 ? -2.35721 -42.81858 20.75633 1.000 19.83016 ? 115 TYR B O 1 ATOM 9649 C CB . TYR F 3 116 ? -1.51305 -42.86156 17.83821 1.000 18.55127 ? 115 TYR B CB 1 ATOM 9650 C CG . TYR F 3 116 ? -1.58016 -42.82072 16.31203 1.000 17.22530 ? 115 TYR B CG 1 ATOM 9651 C CD1 . TYR F 3 116 ? -1.75030 -41.61840 15.65212 1.000 18.15845 ? 115 TYR B CD1 1 ATOM 9652 C CD2 . TYR F 3 116 ? -1.50863 -43.98052 15.56319 1.000 17.76159 ? 115 TYR B CD2 1 ATOM 9653 C CE1 . TYR F 3 116 ? -1.86175 -41.56267 14.25602 1.000 18.85988 ? 115 TYR B CE1 1 ATOM 9654 C CE2 . TYR F 3 116 ? -1.61790 -43.94458 14.17030 1.000 18.41699 ? 115 TYR B CE2 1 ATOM 9655 C CZ . TYR F 3 116 ? -1.79539 -42.74330 13.53376 1.000 19.51546 ? 115 TYR B CZ 1 ATOM 9656 O OH . TYR F 3 116 ? -1.90017 -42.74321 12.15804 1.000 20.83949 ? 115 TYR B OH 1 ATOM 9657 H H . TYR F 3 116 ? -2.64765 -40.74035 18.49000 1.000 21.27939 ? 115 TYR B H 1 ATOM 9658 H HA . TYR F 3 116 ? -3.51317 -43.21007 17.85222 1.000 20.34788 ? 115 TYR B HA 1 ATOM 9659 H HB2 . TYR F 3 116 ? -0.94233 -42.14013 18.14597 1.000 22.25829 ? 115 TYR B HB2 1 ATOM 9660 H HB3 . TYR F 3 116 ? -1.14491 -43.71597 18.11271 1.000 22.25829 ? 115 TYR B HB3 1 ATOM 9661 H HD1 . TYR F 3 116 ? -1.79169 -40.83040 16.14431 1.000 21.78690 ? 115 TYR B HD1 1 ATOM 9662 H HD2 . TYR F 3 116 ? -1.38604 -44.79639 15.99241 1.000 21.31068 ? 115 TYR B HD2 1 ATOM 9663 H HE1 . TYR F 3 116 ? -1.97810 -40.74821 13.82241 1.000 22.62863 ? 115 TYR B HE1 1 ATOM 9664 H HE2 . TYR F 3 116 ? -1.57045 -44.73186 13.67752 1.000 22.09716 ? 115 TYR B HE2 1 ATOM 9665 H HH . TYR F 3 116 ? -2.06377 -41.96676 11.88242 1.000 25.00416 ? 115 TYR B HH 1 ATOM 9666 N N . TYR F 3 117 ? -4.01134 -44.16163 19.97845 1.000 17.27175 ? 116 TYR B N 1 ATOM 9667 C CA . TYR F 3 117 ? -4.40118 -44.80967 21.22117 1.000 17.13149 ? 116 TYR B CA 1 ATOM 9668 C C . TYR F 3 117 ? -3.57473 -46.08942 21.35448 1.000 16.71583 ? 116 TYR B C 1 ATOM 9669 O O . TYR F 3 117 ? -2.56548 -46.25179 20.67018 1.000 18.53052 ? 116 TYR B O 1 ATOM 9670 C CB . TYR F 3 117 ? -5.91584 -45.01467 21.14357 1.000 18.06570 ? 116 TYR B CB 1 ATOM 9671 C CG . TYR F 3 117 ? -6.65839 -45.41008 22.41836 1.000 18.91684 ? 116 TYR B CG 1 ATOM 9672 C CD1 . TYR F 3 117 ? -6.62904 -44.61240 23.55015 1.000 19.69948 ? 116 TYR B CD1 1 ATOM 9673 C CD2 . TYR F 3 117 ? -7.47264 -46.53168 22.43527 1.000 19.85961 ? 116 TYR B CD2 1 ATOM 9674 C CE1 . TYR F 3 117 ? -7.35327 -44.95323 24.67557 1.000 19.65333 ? 116 TYR B CE1 1 ATOM 9675 C CE2 . TYR F 3 117 ? -8.19541 -46.88586 23.54707 1.000 20.20553 ? 116 TYR B CE2 1 ATOM 9676 C CZ . TYR F 3 117 ? -8.14173 -46.09126 24.67022 1.000 20.04725 ? 116 TYR B CZ 1 ATOM 9677 O OH . TYR F 3 117 ? -8.85700 -46.43304 25.80260 1.000 22.67725 ? 116 TYR B OH 1 ATOM 9678 H H . TYR F 3 117 ? -4.47954 -44.44937 19.31695 1.000 20.72287 ? 116 TYR B H 1 ATOM 9679 H HA . TYR F 3 117 ? -4.20272 -44.26735 22.00053 1.000 20.55456 ? 116 TYR B HA 1 ATOM 9680 H HB2 . TYR F 3 117 ? -6.31033 -44.18187 20.84072 1.000 21.67560 ? 116 TYR B HB2 1 ATOM 9681 H HB3 . TYR F 3 117 ? -6.08494 -45.71671 20.49593 1.000 21.67560 ? 116 TYR B HB3 1 ATOM 9682 H HD1 . TYR F 3 117 ? -6.11506 -43.83734 23.55231 1.000 23.63614 ? 116 TYR B HD1 1 ATOM 9683 H HD2 . TYR F 3 117 ? -7.53090 -47.05922 21.67159 1.000 23.82831 ? 116 TYR B HD2 1 ATOM 9684 H HE1 . TYR F 3 117 ? -7.31142 -44.41917 25.43579 1.000 23.58077 ? 116 TYR B HE1 1 ATOM 9685 H HE2 . TYR F 3 117 ? -8.71686 -47.65590 23.54180 1.000 24.24340 ? 116 TYR B HE2 1 ATOM 9686 H HH . TYR F 3 117 ? -8.85323 -45.79453 26.34840 1.000 27.20947 ? 116 TYR B HH 1 ATOM 9687 N N . TYR F 3 118 ? -3.96849 -47.01472 22.21884 1.000 17.07797 ? 117 TYR B N 1 ATOM 9688 C CA . TYR F 3 118 ? -3.15257 -48.19926 22.39466 1.000 17.43770 ? 117 TYR B CA 1 ATOM 9689 C C . TYR F 3 118 ? -3.31012 -49.13723 21.21539 1.000 16.04906 ? 117 TYR B C 1 ATOM 9690 O O . TYR F 3 118 ? -4.30099 -49.10408 20.48114 1.000 16.71324 ? 117 TYR B O 1 ATOM 9691 C CB . TYR F 3 118 ? -3.44271 -48.91143 23.70980 1.000 18.29132 ? 117 TYR B CB 1 ATOM 9692 C CG . TYR F 3 118 ? -4.62315 -49.84925 23.78770 1.000 19.01937 ? 117 TYR B CG 1 ATOM 9693 C CD1 . TYR F 3 118 ? -5.88778 -49.36479 24.11783 1.000 20.59526 ? 117 TYR B CD1 1 ATOM 9694 C CD2 . TYR F 3 118 ? -4.45364 -51.21764 23.67576 1.000 20.18232 ? 117 TYR B CD2 1 ATOM 9695 C CE1 . TYR F 3 118 ? -6.93901 -50.21525 24.29039 1.000 21.75501 ? 117 TYR B CE1 1 ATOM 9696 C CE2 . TYR F 3 118 ? -5.52331 -52.08890 23.85570 1.000 21.57083 ? 117 TYR B CE2 1 ATOM 9697 C CZ . TYR F 3 118 ? -6.75256 -51.57375 24.15660 1.000 22.93089 ? 117 TYR B CZ 1 ATOM 9698 O OH . TYR F 3 118 ? -7.81660 -52.42018 24.34915 1.000 28.03377 ? 117 TYR B OH 1 ATOM 9699 H H . TYR F 3 118 ? -4.68123 -46.97907 22.69877 1.000 20.49034 ? 117 TYR B H 1 ATOM 9700 H HA . TYR F 3 118 ? -2.22197 -47.92912 22.43826 1.000 20.92201 ? 117 TYR B HA 1 ATOM 9701 H HB2 . TYR F 3 118 ? -2.65974 -49.43776 23.93526 1.000 21.94635 ? 117 TYR B HB2 1 ATOM 9702 H HB3 . TYR F 3 118 ? -3.58975 -48.22988 24.38417 1.000 21.94635 ? 117 TYR B HB3 1 ATOM 9703 H HD1 . TYR F 3 118 ? -6.01598 -48.44955 24.22169 1.000 24.71108 ? 117 TYR B HD1 1 ATOM 9704 H HD2 . TYR F 3 118 ? -3.61215 -51.56026 23.47726 1.000 24.21555 ? 117 TYR B HD2 1 ATOM 9705 H HE1 . TYR F 3 118 ? -7.78083 -49.87897 24.49812 1.000 26.10278 ? 117 TYR B HE1 1 ATOM 9706 H HE2 . TYR F 3 118 ? -5.40355 -53.00740 23.77251 1.000 25.88177 ? 117 TYR B HE2 1 ATOM 9707 H HH . TYR F 3 118 ? -7.56171 -53.21880 24.29595 1.000 33.63729 ? 117 TYR B HH 1 ATOM 9708 N N . MET F 3 119 ? -2.30320 -49.97558 21.05590 1.000 16.18800 ? 118 MET B N 1 ATOM 9709 C CA . MET F 3 119 ? -2.15571 -50.86136 19.90578 1.000 16.14970 ? 118 MET B CA 1 ATOM 9710 C C . MET F 3 119 ? -2.53260 -52.26310 20.35721 1.000 17.00440 ? 118 MET B C 1 ATOM 9711 O O . MET F 3 119 ? -1.78290 -52.90745 21.09103 1.000 16.36568 ? 118 MET B O 1 ATOM 9712 C CB . MET F 3 119 ? -0.72498 -50.79094 19.37989 1.000 17.68929 ? 118 MET B CB 1 ATOM 9713 C CG . MET F 3 119 ? -0.43609 -49.38415 18.90354 1.000 20.42016 ? 118 MET B CG 1 ATOM 9714 S SD . MET F 3 119 ? 1.26100 -49.11875 18.38421 1.000 21.94518 ? 118 MET B SD 1 ATOM 9715 C CE . MET F 3 119 ? 1.28961 -47.34934 18.23917 1.000 22.69542 ? 118 MET B CE 1 ATOM 9716 H H . MET F 3 119 ? -1.66185 -50.05673 21.62307 1.000 19.42237 ? 118 MET B H 1 ATOM 9717 H HA . MET F 3 119 ? -2.74874 -50.59431 19.18613 1.000 19.37641 ? 118 MET B HA 1 ATOM 9718 H HB2 . MET F 3 119 ? -0.10258 -51.01746 20.08855 1.000 21.22392 ? 118 MET B HB2 1 ATOM 9719 H HB3 . MET F 3 119 ? -0.61762 -51.40368 18.63563 1.000 21.22392 ? 118 MET B HB3 1 ATOM 9720 H HG2 . MET F 3 119 ? -1.00939 -49.18883 18.14585 1.000 24.50096 ? 118 MET B HG2 1 ATOM 9721 H HG3 . MET F 3 119 ? -0.62187 -48.76651 19.62805 1.000 24.50096 ? 118 MET B HG3 1 ATOM 9722 H HE1 . MET F 3 119 ? 2.16327 -47.07263 17.92128 1.000 27.23128 ? 118 MET B HE1 1 ATOM 9723 H HE2 . MET F 3 119 ? 0.60565 -47.07302 17.60929 1.000 27.23128 ? 118 MET B HE2 1 ATOM 9724 H HE3 . MET F 3 119 ? 1.11518 -46.95827 19.10953 1.000 27.23128 ? 118 MET B HE3 1 ATOM 9725 N N . ASP F 3 120 ? -3.70363 -52.73044 19.93432 1.000 16.79392 ? 119 ASP B N 1 ATOM 9726 C CA . ASP F 3 120 ? -4.18187 -53.99527 20.47222 1.000 17.97613 ? 119 ASP B CA 1 ATOM 9727 C C . ASP F 3 120 ? -3.68333 -55.20317 19.68464 1.000 20.98615 ? 119 ASP B C 1 ATOM 9728 O O . ASP F 3 120 ? -3.18214 -56.15840 20.27714 1.000 25.24058 ? 119 ASP B O 1 ATOM 9729 C CB . ASP F 3 120 ? -5.71087 -53.98169 20.69450 1.000 17.55299 ? 119 ASP B CB 1 ATOM 9730 C CG . ASP F 3 120 ? -6.54508 -53.73751 19.44435 1.000 17.81147 ? 119 ASP B CG 1 ATOM 9731 O OD1 . ASP F 3 120 ? -6.03137 -53.38940 18.35997 1.000 17.37216 ? 119 ASP B OD1 1 ATOM 9732 O OD2 . ASP F 3 120 ? -7.76805 -53.86402 19.60347 1.000 18.48123 -1 119 ASP B OD2 1 ATOM 9733 H H . ASP F 3 120 ? -4.21705 -52.34785 19.36019 1.000 20.14948 ? 119 ASP B H 1 ATOM 9734 H HA . ASP F 3 120 ? -3.81255 -54.10393 21.36255 1.000 21.56812 ? 119 ASP B HA 1 ATOM 9735 H HB2 . ASP F 3 120 ? -5.97592 -54.84188 21.05604 1.000 21.06036 ? 119 ASP B HB2 1 ATOM 9736 H HB3 . ASP F 3 120 ? -5.92274 -53.27677 21.32625 1.000 21.06036 ? 119 ASP B HB3 1 ATOM 9737 N N . VAL F 3 121 ? -3.76199 -55.16669 18.36412 1.000 18.14102 ? 120 VAL B N 1 ATOM 9738 C CA . VAL F 3 121 ? -3.39377 -56.29162 17.51098 1.000 16.90758 ? 120 VAL B CA 1 ATOM 9739 C C . VAL F 3 121 ? -2.08561 -55.95153 16.82288 1.000 16.79055 ? 120 VAL B C 1 ATOM 9740 O O . VAL F 3 121 ? -1.99684 -54.93214 16.13584 1.000 18.56551 ? 120 VAL B O 1 ATOM 9741 C CB . VAL F 3 121 ? -4.48957 -56.58330 16.47201 1.000 18.48355 ? 120 VAL B CB 1 ATOM 9742 C CG1 . VAL F 3 121 ? -4.08529 -57.74197 15.56288 1.000 19.61754 ? 120 VAL B CG1 1 ATOM 9743 C CG2 . VAL F 3 121 ? -5.79315 -56.89514 17.16752 1.000 20.58068 ? 120 VAL B CG2 1 ATOM 9744 H H . VAL F 3 121 ? -4.03416 -54.48060 17.92274 1.000 21.76599 ? 120 VAL B H 1 ATOM 9745 H HA . VAL F 3 121 ? -3.25842 -57.08029 18.05925 1.000 20.28586 ? 120 VAL B HA 1 ATOM 9746 H HB . VAL F 3 121 ? -4.61031 -55.79650 15.91769 1.000 22.17703 ? 120 VAL B HB 1 ATOM 9747 H HG11 . VAL F 3 121 ? -4.78397 -57.88637 14.90569 1.000 23.53782 ? 120 VAL B HG11 1 ATOM 9748 H HG12 . VAL F 3 121 ? -3.25321 -57.51831 15.11733 1.000 23.53782 ? 120 VAL B HG12 1 ATOM 9749 H HG13 . VAL F 3 121 ? -3.96790 -58.54000 16.10164 1.000 23.53782 ? 120 VAL B HG13 1 ATOM 9750 H HG21 . VAL F 3 121 ? -6.43992 -57.19138 16.50811 1.000 24.69358 ? 120 VAL B HG21 1 ATOM 9751 H HG22 . VAL F 3 121 ? -5.64259 -57.59580 17.82120 1.000 24.69358 ? 120 VAL B HG22 1 ATOM 9752 H HG23 . VAL F 3 121 ? -6.11478 -56.09388 17.60960 1.000 24.69358 ? 120 VAL B HG23 1 ATOM 9753 N N . TRP F 3 122 ? -1.08620 -56.80800 16.98809 1.000 16.83241 ? 121 TRP B N 1 ATOM 9754 C CA . TRP F 3 122 ? 0.22355 -56.63310 16.38336 1.000 16.90939 ? 121 TRP B CA 1 ATOM 9755 C C . TRP F 3 122 ? 0.51799 -57.74368 15.38260 1.000 16.43490 ? 121 TRP B C 1 ATOM 9756 O O . TRP F 3 122 ? 0.21809 -58.92145 15.61498 1.000 16.52147 ? 121 TRP B O 1 ATOM 9757 C CB . TRP F 3 122 ? 1.32978 -56.64447 17.45323 1.000 16.45908 ? 121 TRP B CB 1 ATOM 9758 C CG . TRP F 3 122 ? 1.31921 -55.47416 18.39475 1.000 16.32548 ? 121 TRP B CG 1 ATOM 9759 C CD1 . TRP F 3 122 ? 0.36745 -55.18164 19.33532 1.000 16.80344 ? 121 TRP B CD1 1 ATOM 9760 C CD2 . TRP F 3 122 ? 2.32506 -54.45303 18.50968 1.000 16.34232 ? 121 TRP B CD2 1 ATOM 9761 N NE1 . TRP F 3 122 ? 0.71646 -54.03344 20.01107 1.000 17.58846 ? 121 TRP B NE1 1 ATOM 9762 C CE2 . TRP F 3 122 ? 1.91168 -53.57191 19.52214 1.000 17.79727 ? 121 TRP B CE2 1 ATOM 9763 C CE3 . TRP F 3 122 ? 3.53492 -54.19860 17.84491 1.000 17.10875 ? 121 TRP B CE3 1 ATOM 9764 C CZ2 . TRP F 3 122 ? 2.65937 -52.45284 19.88832 1.000 17.63307 ? 121 TRP B CZ2 1 ATOM 9765 C CZ3 . TRP F 3 122 ? 4.26045 -53.08943 18.20095 1.000 17.28283 ? 121 TRP B CZ3 1 ATOM 9766 C CH2 . TRP F 3 122 ? 3.83359 -52.23323 19.22433 1.000 17.17325 ? 121 TRP B CH2 1 ATOM 9767 H H . TRP F 3 122 ? -1.14648 -57.52240 17.46306 1.000 20.19567 ? 121 TRP B H 1 ATOM 9768 H HA . TRP F 3 122 ? 0.22830 -55.78440 15.91370 1.000 20.28803 ? 121 TRP B HA 1 ATOM 9769 H HB2 . TRP F 3 122 ? 1.23091 -57.44775 17.98788 1.000 19.74766 ? 121 TRP B HB2 1 ATOM 9770 H HB3 . TRP F 3 122 ? 2.18989 -56.64819 17.00480 1.000 19.74766 ? 121 TRP B HB3 1 ATOM 9771 H HD1 . TRP F 3 122 ? -0.39950 -55.68318 19.49387 1.000 20.16089 ? 121 TRP B HD1 1 ATOM 9772 H HE1 . TRP F 3 122 ? 0.25841 -53.66506 20.63883 1.000 21.10292 ? 121 TRP B HE1 1 ATOM 9773 H HE3 . TRP F 3 122 ? 3.83859 -54.76995 17.17690 1.000 20.52727 ? 121 TRP B HE3 1 ATOM 9774 H HZ2 . TRP F 3 122 ? 2.36971 -51.87762 20.55923 1.000 21.15646 ? 121 TRP B HZ2 1 ATOM 9775 H HZ3 . TRP F 3 122 ? 5.05344 -52.90193 17.75271 1.000 20.73616 ? 121 TRP B HZ3 1 ATOM 9776 H HH2 . TRP F 3 122 ? 4.35904 -51.50177 19.45620 1.000 20.60467 ? 121 TRP B HH2 1 ATOM 9777 N N . GLY F 3 123 ? 1.14286 -57.37201 14.27772 1.000 17.16257 ? 122 GLY B N 1 ATOM 9778 C CA . GLY F 3 123 ? 1.70955 -58.36784 13.38695 1.000 17.43793 ? 122 GLY B CA 1 ATOM 9779 C C . GLY F 3 123 ? 2.87382 -59.08419 14.04430 1.000 17.60164 ? 122 GLY B C 1 ATOM 9780 O O . GLY F 3 123 ? 3.31708 -58.73728 15.14495 1.000 17.83473 ? 122 GLY B O 1 ATOM 9781 H H . GLY F 3 123 ? 1.25125 -56.55763 14.02350 1.000 20.59186 ? 122 GLY B H 1 ATOM 9782 H HA2 . GLY F 3 123 ? 1.03188 -59.02197 13.15503 1.000 20.92228 ? 122 GLY B HA2 1 ATOM 9783 H HA3 . GLY F 3 123 ? 2.02508 -57.93896 12.57614 1.000 20.92228 ? 122 GLY B HA3 1 ATOM 9784 N N . GLN F 3 124 ? 3.38711 -60.10415 13.35415 1.000 17.97150 ? 123 GLN B N 1 ATOM 9785 C CA . GLN F 3 124 ? 4.43637 -60.94029 13.92359 1.000 18.41376 ? 123 GLN B CA 1 ATOM 9786 C C . GLN F 3 124 ? 5.82524 -60.34370 13.79530 1.000 19.10971 ? 123 GLN B C 1 ATOM 9787 O O . GLN F 3 124 ? 6.77203 -60.91790 14.34942 1.000 20.19816 ? 123 GLN B O 1 ATOM 9788 C CB . GLN F 3 124 ? 4.38070 -62.35480 13.33628 1.000 18.81424 ? 123 GLN B CB 1 ATOM 9789 C CG . GLN F 3 124 ? 5.12613 -62.57407 12.02999 1.000 18.05526 ? 123 GLN B CG 1 ATOM 9790 C CD . GLN F 3 124 ? 4.33857 -62.17067 10.81648 1.000 19.70407 ? 123 GLN B CD 1 ATOM 9791 O OE1 . GLN F 3 124 ? 3.38714 -61.39187 10.88994 1.000 20.69771 ? 123 GLN B OE1 1 ATOM 9792 N NE2 . GLN F 3 124 ? 4.73108 -62.71924 9.66903 1.000 22.71206 ? 123 GLN B NE2 1 ATOM 9793 H H . GLN F 3 124 ? 3.14439 -60.32839 12.56017 1.000 21.56257 ? 123 GLN B H 1 ATOM 9794 H HA . GLN F 3 124 ? 4.26916 -61.03408 14.87446 1.000 22.09328 ? 123 GLN B HA 1 ATOM 9795 H HB2 . GLN F 3 124 ? 4.75992 -62.96642 13.98668 1.000 22.57386 ? 123 GLN B HB2 1 ATOM 9796 H HB3 . GLN F 3 124 ? 3.45064 -62.57758 13.17428 1.000 22.57386 ? 123 GLN B HB3 1 ATOM 9797 H HG2 . GLN F 3 124 ? 5.94161 -62.04897 12.04267 1.000 21.66308 ? 123 GLN B HG2 1 ATOM 9798 H HG3 . GLN F 3 124 ? 5.33966 -63.51649 11.94550 1.000 21.66308 ? 123 GLN B HG3 1 ATOM 9799 H HE21 . GLN F 3 124 ? 5.39573 -63.26488 9.65845 1.000 27.25124 ? 123 GLN B HE21 1 ATOM 9800 H HE22 . GLN F 3 124 ? 4.32004 -62.52803 8.93822 1.000 27.25124 ? 123 GLN B HE22 1 ATOM 9801 N N . GLY F 3 125 ? 5.96210 -59.23861 13.07943 1.000 17.50363 ? 124 GLY B N 1 ATOM 9802 C CA . GLY F 3 125 ? 7.24244 -58.58059 12.85963 1.000 17.49855 ? 124 GLY B CA 1 ATOM 9803 C C . GLY F 3 125 ? 7.92237 -59.09607 11.61029 1.000 17.63934 ? 124 GLY B C 1 ATOM 9804 O O . GLY F 3 125 ? 7.74360 -60.24493 11.20107 1.000 18.75846 ? 124 GLY B O 1 ATOM 9805 H H . GLY F 3 125 ? 5.30741 -58.83384 12.69585 1.000 21.00113 ? 124 GLY B H 1 ATOM 9806 H HA2 . GLY F 3 125 ? 7.10443 -57.62510 12.76523 1.000 20.99503 ? 124 GLY B HA2 1 ATOM 9807 H HA3 . GLY F 3 125 ? 7.82495 -58.74210 13.61824 1.000 20.99503 ? 124 GLY B HA3 1 ATOM 9808 N N . THR F 3 126 ? 8.72282 -58.21679 10.99766 1.000 18.33170 ? 125 THR B N 1 ATOM 9809 C CA . THR F 3 126 ? 9.52715 -58.53034 9.81781 1.000 18.07455 ? 125 THR B CA 1 ATOM 9810 C C . THR F 3 126 ? 10.92904 -57.98933 10.05500 1.000 17.61097 ? 125 THR B C 1 ATOM 9811 O O . THR F 3 126 ? 11.09596 -56.78126 10.23765 1.000 17.56113 ? 125 THR B O 1 ATOM 9812 C CB . THR F 3 126 ? 8.94608 -57.85517 8.57535 1.000 18.94607 ? 125 THR B CB 1 ATOM 9813 O OG1 . THR F 3 126 ? 7.58848 -58.28445 8.35293 1.000 18.84018 ? 125 THR B OG1 1 ATOM 9814 C CG2 . THR F 3 126 ? 9.81084 -58.18251 7.34413 1.000 20.39285 ? 125 THR B CG2 1 ATOM 9815 H H . THR F 3 126 ? 8.81819 -57.40299 11.25888 1.000 21.99480 ? 125 THR B H 1 ATOM 9816 H HA . THR F 3 126 ? 9.55659 -59.49078 9.68519 1.000 21.68623 ? 125 THR B HA 1 ATOM 9817 H HB . THR F 3 126 ? 8.94155 -56.89375 8.70397 1.000 22.73205 ? 125 THR B HB 1 ATOM 9818 H HG1 . THR F 3 126 ? 7.57925 -59.07977 8.08278 1.000 22.60499 ? 125 THR B HG1 1 ATOM 9819 H HG21 . THR F 3 126 ? 9.31840 -57.98748 6.53150 1.000 24.46819 ? 125 THR B HG21 1 ATOM 9820 H HG22 . THR F 3 126 ? 10.62122 -57.64955 7.35672 1.000 24.46819 ? 125 THR B HG22 1 ATOM 9821 H HG23 . THR F 3 126 ? 10.05189 -59.12207 7.34833 1.000 24.46819 ? 125 THR B HG23 1 ATOM 9822 N N . LEU F 3 127 ? 11.93082 -58.87311 10.06626 1.000 17.95202 ? 126 LEU B N 1 ATOM 9823 C CA . LEU F 3 127 ? 13.31152 -58.43407 10.17800 1.000 17.49655 ? 126 LEU B CA 1 ATOM 9824 C C . LEU F 3 127 ? 13.79851 -57.92619 8.82915 1.000 17.94674 ? 126 LEU B C 1 ATOM 9825 O O . LEU F 3 127 ? 13.71223 -58.63368 7.82242 1.000 20.11757 ? 126 LEU B O 1 ATOM 9826 C CB . LEU F 3 127 ? 14.19768 -59.58643 10.63578 1.000 18.85979 ? 126 LEU B CB 1 ATOM 9827 C CG . LEU F 3 127 ? 15.68518 -59.23910 10.77923 1.000 20.36116 ? 126 LEU B CG 1 ATOM 9828 C CD1 . LEU F 3 127 ? 15.87178 -58.19099 11.88726 1.000 22.24963 ? 126 LEU B CD1 1 ATOM 9829 C CD2 . LEU F 3 127 ? 16.45696 -60.51716 11.04660 1.000 22.98773 ? 126 LEU B CD2 1 ATOM 9830 H H . LEU F 3 127 ? 11.83141 -59.72553 10.01056 1.000 21.53919 ? 126 LEU B H 1 ATOM 9831 H HA . LEU F 3 127 ? 13.37030 -57.71747 10.82909 1.000 20.99263 ? 126 LEU B HA 1 ATOM 9832 H HB2 . LEU F 3 127 ? 13.88371 -59.88949 11.50208 1.000 22.62852 ? 126 LEU B HB2 1 ATOM 9833 H HB3 . LEU F 3 127 ? 14.12666 -60.30438 9.98740 1.000 22.62852 ? 126 LEU B HB3 1 ATOM 9834 H HG . LEU F 3 127 ? 16.03863 -58.84508 9.96638 1.000 24.43016 ? 126 LEU B HG 1 ATOM 9835 H HD11 . LEU F 3 127 ? 16.82031 -58.03852 12.02124 1.000 26.69632 ? 126 LEU B HD11 1 ATOM 9836 H HD12 . LEU F 3 127 ? 15.43898 -57.36585 11.61758 1.000 26.69632 ? 126 LEU B HD12 1 ATOM 9837 H HD13 . LEU F 3 127 ? 15.47111 -58.52236 12.70613 1.000 26.69632 ? 126 LEU B HD13 1 ATOM 9838 H HD21 . LEU F 3 127 ? 17.40716 -60.32816 10.99868 1.000 27.58205 ? 126 LEU B HD21 1 ATOM 9839 H HD22 . LEU F 3 127 ? 16.22901 -60.84463 11.93074 1.000 27.58205 ? 126 LEU B HD22 1 ATOM 9840 H HD23 . LEU F 3 127 ? 16.21678 -61.17698 10.37739 1.000 27.58205 ? 126 LEU B HD23 1 ATOM 9841 N N . VAL F 3 128 ? 14.31883 -56.70521 8.81900 1.000 17.57072 ? 127 VAL B N 1 ATOM 9842 C CA . VAL F 3 128 ? 15.03382 -56.17001 7.67236 1.000 17.48766 ? 127 VAL B CA 1 ATOM 9843 C C . VAL F 3 128 ? 16.46322 -55.91933 8.12136 1.000 17.78607 ? 127 VAL B C 1 ATOM 9844 O O . VAL F 3 128 ? 16.68686 -55.18368 9.08183 1.000 17.30125 ? 127 VAL B O 1 ATOM 9845 C CB . VAL F 3 128 ? 14.37660 -54.88672 7.14780 1.000 18.70584 ? 127 VAL B CB 1 ATOM 9846 C CG1 . VAL F 3 128 ? 15.16660 -54.34808 5.95771 1.000 19.83529 ? 127 VAL B CG1 1 ATOM 9847 C CG2 . VAL F 3 128 ? 12.93177 -55.17929 6.74773 1.000 20.02779 ? 127 VAL B CG2 1 ATOM 9848 H H . VAL F 3 128 ? 14.26829 -56.15774 9.48031 1.000 21.08163 ? 127 VAL B H 1 ATOM 9849 H HA . VAL F 3 128 ? 15.04512 -56.81598 6.94884 1.000 20.98197 ? 127 VAL B HA 1 ATOM 9850 H HB . VAL F 3 128 ? 14.37374 -54.20903 7.84180 1.000 22.44378 ? 127 VAL B HB 1 ATOM 9851 H HG11 . VAL F 3 128 ? 14.64516 -53.65785 5.51887 1.000 23.79912 ? 127 VAL B HG11 1 ATOM 9852 H HG12 . VAL F 3 128 ? 16.00435 -53.97735 6.27651 1.000 23.79912 ? 127 VAL B HG12 1 ATOM 9853 H HG13 . VAL F 3 128 ? 15.34055 -55.07476 5.33919 1.000 23.79912 ? 127 VAL B HG13 1 ATOM 9854 H HG21 . VAL F 3 128 ? 12.55164 -54.38760 6.33587 1.000 24.03012 ? 127 VAL B HG21 1 ATOM 9855 H HG22 . VAL F 3 128 ? 12.92166 -55.91702 6.11802 1.000 24.03012 ? 127 VAL B HG22 1 ATOM 9856 H HG23 . VAL F 3 128 ? 12.42588 -55.41470 7.54117 1.000 24.03012 ? 127 VAL B HG23 1 ATOM 9857 N N . THR F 3 129 ? 17.42954 -56.53072 7.43468 1.000 18.03844 ? 128 THR B N 1 ATOM 9858 C CA . THR F 3 129 ? 18.83988 -56.34745 7.74443 1.000 17.87754 ? 128 THR B CA 1 ATOM 9859 C C . THR F 3 129 ? 19.47877 -55.61396 6.58170 1.000 17.50468 ? 128 THR B C 1 ATOM 9860 O O . THR F 3 129 ? 19.30035 -56.01427 5.42757 1.000 19.69389 ? 128 THR B O 1 ATOM 9861 C CB . THR F 3 129 ? 19.52852 -57.69684 7.96167 1.000 19.85012 ? 128 THR B CB 1 ATOM 9862 O OG1 . THR F 3 129 ? 18.86343 -58.40489 9.01563 1.000 21.38484 ? 128 THR B OG1 1 ATOM 9863 C CG2 . THR F 3 129 ? 20.99679 -57.49397 8.32505 1.000 21.94400 ? 128 THR B CG2 1 ATOM 9864 H H . THR F 3 129 ? 17.28603 -57.06400 6.77542 1.000 21.64290 ? 128 THR B H 1 ATOM 9865 H HA . THR F 3 129 ? 18.94715 -55.82394 8.55396 1.000 21.44982 ? 128 THR B HA 1 ATOM 9866 H HB . THR F 3 129 ? 19.48899 -58.22128 7.14662 1.000 23.81691 ? 128 THR B HB 1 ATOM 9867 H HG1 . THR F 3 129 ? 18.14013 -58.72611 8.73411 1.000 25.65858 ? 128 THR B HG1 1 ATOM 9868 H HG21 . THR F 3 129 ? 21.40881 -58.34781 8.53025 1.000 26.32957 ? 128 THR B HG21 1 ATOM 9869 H HG22 . THR F 3 129 ? 21.46925 -57.08691 7.58209 1.000 26.32957 ? 128 THR B HG22 1 ATOM 9870 H HG23 . THR F 3 129 ? 21.06987 -56.91489 9.09979 1.000 26.32957 ? 128 THR B HG23 1 ATOM 9871 N N . VAL F 3 130 ? 20.18862 -54.53257 6.87935 1.000 17.70425 ? 129 VAL B N 1 ATOM 9872 C CA . VAL F 3 130 ? 20.83105 -53.70154 5.87174 1.000 18.61693 ? 129 VAL B CA 1 ATOM 9873 C C . VAL F 3 130 ? 22.33120 -53.86763 6.02858 1.000 18.60514 ? 129 VAL B C 1 ATOM 9874 O O . VAL F 3 130 ? 22.84374 -53.73370 7.14028 1.000 18.82823 ? 129 VAL B O 1 ATOM 9875 C CB . VAL F 3 130 ? 20.42703 -52.22737 6.02378 1.000 17.80356 ? 129 VAL B CB 1 ATOM 9876 C CG1 . VAL F 3 130 ? 20.98966 -51.40932 4.84956 1.000 19.13267 ? 129 VAL B CG1 1 ATOM 9877 C CG2 . VAL F 3 130 ? 18.88938 -52.09325 6.11418 1.000 18.60868 ? 129 VAL B CG2 1 ATOM 9878 H H . VAL F 3 130 ? 20.31535 -54.25277 7.68262 1.000 21.24187 ? 129 VAL B H 1 ATOM 9879 H HA . VAL F 3 130 ? 20.57169 -53.99911 4.98569 1.000 22.33709 ? 129 VAL B HA 1 ATOM 9880 H HB . VAL F 3 130 ? 20.79884 -51.87221 6.84628 1.000 21.36105 ? 129 VAL B HB 1 ATOM 9881 H HG11 . VAL F 3 130 ? 20.68012 -50.49321 4.92592 1.000 22.95597 ? 129 VAL B HG11 1 ATOM 9882 H HG12 . VAL F 3 130 ? 21.95877 -51.43486 4.88256 1.000 22.95597 ? 129 VAL B HG12 1 ATOM 9883 H HG13 . VAL F 3 130 ? 20.67675 -51.79587 4.01676 1.000 22.95597 ? 129 VAL B HG13 1 ATOM 9884 H HG21 . VAL F 3 130 ? 18.65113 -51.15402 6.06949 1.000 22.32718 ? 129 VAL B HG21 1 ATOM 9885 H HG22 . VAL F 3 130 ? 18.48648 -52.57232 5.37319 1.000 22.32718 ? 129 VAL B HG22 1 ATOM 9886 H HG23 . VAL F 3 130 ? 18.58831 -52.47122 6.95525 1.000 22.32718 ? 129 VAL B HG23 1 ATOM 9887 N N . SER F 3 131 ? 23.02988 -54.16272 4.92459 1.000 18.00953 ? 130 SER B N 1 ATOM 9888 C CA . SER F 3 131 ? 24.48675 -54.28863 4.97685 1.000 19.10437 ? 130 SER B CA 1 ATOM 9889 C C . SER F 3 131 ? 25.14657 -52.90519 5.05865 1.000 20.22133 ? 130 SER B C 1 ATOM 9890 O O . SER F 3 131 ? 24.50518 -51.86268 4.88564 1.000 22.55997 ? 130 SER B O 1 ATOM 9891 C CB . SER F 3 131 ? 25.00618 -55.12733 3.81161 1.000 20.40974 ? 130 SER B CB 1 ATOM 9892 O OG . SER F 3 131 ? 24.77143 -54.52604 2.55775 1.000 20.80356 ? 130 SER B OG 1 ATOM 9893 H H . SER F 3 131 ? 22.68698 -54.29224 4.14662 1.000 21.60821 ? 130 SER B H 1 ATOM 9894 H HA . SER F 3 131 ? 24.74513 -54.76321 5.78240 1.000 22.92202 ? 130 SER B HA 1 ATOM 9895 H HB2 . SER F 3 131 ? 25.96244 -55.24763 3.92113 1.000 24.48846 ? 130 SER B HB2 1 ATOM 9896 H HB3 . SER F 3 131 ? 24.55940 -55.98814 3.82869 1.000 24.48846 ? 130 SER B HB3 1 ATOM 9897 H HG . SER F 3 131 ? 25.26221 -53.85043 2.46673 1.000 24.96104 ? 130 SER B HG 1 ATOM 9898 N N . SER F 3 132 ? 26.45814 -52.90678 5.29476 1.000 20.32443 ? 131 SER B N 1 ATOM 9899 C CA . SER F 3 132 ? 27.15167 -51.71885 5.75511 1.000 21.63904 ? 131 SER B CA 1 ATOM 9900 C C . SER F 3 132 ? 27.48504 -50.74979 4.62259 1.000 25.40575 ? 131 SER B C 1 ATOM 9901 O O . SER F 3 132 ? 27.44039 -51.07654 3.43479 1.000 25.01885 ? 131 SER B O 1 ATOM 9902 C CB . SER F 3 132 ? 28.45746 -52.11082 6.43903 1.000 22.78189 ? 131 SER B CB 1 ATOM 9903 O OG . SER F 3 132 ? 29.48552 -52.37509 5.47907 1.000 24.37287 ? 131 SER B OG 1 ATOM 9904 H H . SER F 3 132 ? 26.96819 -53.59175 5.19345 1.000 24.38608 ? 131 SER B H 1 ATOM 9905 H HA . SER F 3 132 ? 26.55805 -51.26522 6.37377 1.000 25.96361 ? 131 SER B HA 1 ATOM 9906 H HB2 . SER F 3 132 ? 28.74276 -51.38253 7.01270 1.000 27.33503 ? 131 SER B HB2 1 ATOM 9907 H HB3 . SER F 3 132 ? 28.30782 -52.91034 6.96750 1.000 27.33503 ? 131 SER B HB3 1 ATOM 9908 H HG . SER F 3 132 ? 30.19250 -52.60378 5.87084 1.000 29.24421 ? 131 SER B HG 1 ATOM 9909 N N . GLY F 3 133 ? 27.85969 -49.54237 5.02363 1.000 28.77975 ? 132 GLY B N 1 ATOM 9910 C CA . GLY F 3 133 ? 28.34114 -48.53907 4.09469 1.000 35.08696 ? 132 GLY B CA 1 ATOM 9911 C C . GLY F 3 133 ? 27.25520 -47.58472 3.65607 1.000 41.85812 ? 132 GLY B C 1 ATOM 9912 O O . GLY F 3 133 ? 26.14365 -47.55122 4.18833 1.000 38.11396 ? 132 GLY B O 1 ATOM 9913 H H . GLY F 3 133 ? 27.84330 -49.27793 5.84180 1.000 34.53247 ? 132 GLY B H 1 ATOM 9914 H HA2 . GLY F 3 133 ? 29.04688 -48.02453 4.51669 1.000 42.10112 ? 132 GLY B HA2 1 ATOM 9915 H HA3 . GLY F 3 133 ? 28.69808 -48.97761 3.30655 1.000 42.10112 ? 132 GLY B HA3 1 ATOM 9916 N N . GLY F 3 134 ? 27.59910 -46.78872 2.64966 1.000 52.24773 ? 133 GLY B N 1 ATOM 9917 C CA . GLY F 3 134 ? 26.67325 -45.81010 2.10082 1.000 61.54356 ? 133 GLY B CA 1 ATOM 9918 C C . GLY F 3 134 ? 27.00870 -44.38042 2.48573 1.000 63.46468 ? 133 GLY B C 1 ATOM 9919 O O . GLY F 3 134 ? 26.17147 -43.48357 2.36758 1.000 64.67231 ? 133 GLY B O 1 ATOM 9920 H H . GLY F 3 134 ? 28.36856 -46.79716 2.26566 1.000 62.69404 ? 133 GLY B H 1 ATOM 9921 H HA2 . GLY F 3 134 ? 26.68367 -45.87213 1.13286 1.000 73.84904 ? 133 GLY B HA2 1 ATOM 9922 H HA3 . GLY F 3 134 ? 25.77863 -46.00638 2.42024 1.000 73.84904 ? 133 GLY B HA3 1 HETATM 9923 C C1 . EDO G 4 . ? 15.12632 -52.72120 25.12018 1.000 36.92309 ? 301 EDO C C1 1 HETATM 9924 O O1 . EDO G 4 . ? 16.48198 -52.43806 25.37603 1.000 41.34993 ? 301 EDO C O1 1 HETATM 9925 C C2 . EDO G 4 . ? 14.39184 -53.03109 26.40011 1.000 42.17701 ? 301 EDO C C2 1 HETATM 9926 O O2 . EDO G 4 . ? 14.44353 -51.92235 27.26690 1.000 68.48993 ? 301 EDO C O2 1 HETATM 9927 H H11 . EDO G 4 . ? 15.03511 -53.47936 24.52205 1.000 44.30448 ? 301 EDO C H11 1 HETATM 9928 H H12 . EDO G 4 . ? 14.68865 -51.97090 24.68845 1.000 44.30448 ? 301 EDO C H12 1 HETATM 9929 H HO1 . EDO G 4 . ? 16.53247 -52.00248 26.10502 1.000 49.61668 ? 301 EDO C HO1 1 HETATM 9930 H H21 . EDO G 4 . ? 14.79908 -53.82099 26.78884 1.000 50.60918 ? 301 EDO C H21 1 HETATM 9931 H H22 . EDO G 4 . ? 13.48205 -53.27255 26.16585 1.000 50.60918 ? 301 EDO C H22 1 HETATM 9932 H HO2 . EDO G 4 . ? 14.45851 -51.22042 26.78804 1.000 82.18469 ? 301 EDO C HO2 1 HETATM 9933 C C1 . EDO H 4 . ? -25.20972 -38.80904 2.86823 1.000 50.99463 ? 101 EDO X C1 1 HETATM 9934 O O1 . EDO H 4 . ? -25.10092 -40.07074 3.47677 1.000 44.58086 ? 101 EDO X O1 1 HETATM 9935 C C2 . EDO H 4 . ? -26.60682 -38.24491 2.96795 1.000 55.79229 ? 101 EDO X C2 1 HETATM 9936 O O2 . EDO H 4 . ? -26.92651 -37.78358 4.27047 1.000 29.99058 ? 101 EDO X O2 1 HETATM 9937 H H11 . EDO H 4 . ? -24.97148 -38.85854 1.92924 1.000 61.19033 ? 101 EDO X H11 1 HETATM 9938 H H12 . EDO H 4 . ? -24.59959 -38.17597 3.27794 1.000 61.19033 ? 101 EDO X H12 1 HETATM 9939 H HO1 . EDO H 4 . ? -25.77388 -40.18528 3.98440 1.000 53.49380 ? 101 EDO X HO1 1 HETATM 9940 H H21 . EDO H 4 . ? -27.21169 -38.94549 2.67776 1.000 66.94751 ? 101 EDO X H21 1 HETATM 9941 H H22 . EDO H 4 . ? -26.66777 -37.53365 2.31121 1.000 66.94751 ? 101 EDO X H22 1 HETATM 9942 H HO2 . EDO H 4 . ? -26.45654 -38.21149 4.83396 1.000 35.98546 ? 101 EDO X HO2 1 HETATM 9943 C C1 . EDO I 4 . ? -19.88136 -48.52502 5.16886 1.000 31.55655 ? 102 EDO X C1 1 HETATM 9944 O O1 . EDO I 4 . ? -18.99106 -49.54756 5.60103 1.000 44.85847 ? 102 EDO X O1 1 HETATM 9945 C C2 . EDO I 4 . ? -20.99567 -48.39359 6.18260 1.000 36.98109 ? 102 EDO X C2 1 HETATM 9946 O O2 . EDO I 4 . ? -21.90178 -47.38532 5.80240 1.000 63.40540 ? 102 EDO X O2 1 HETATM 9947 H H11 . EDO I 4 . ? -20.26385 -48.72821 4.30093 1.000 37.86463 ? 102 EDO X H11 1 HETATM 9948 H H12 . EDO I 4 . ? -19.42902 -47.67140 5.08157 1.000 37.86463 ? 102 EDO X H12 1 HETATM 9949 H HO1 . EDO I 4 . ? -18.31677 -49.53114 5.08668 1.000 53.82693 ? 102 EDO X HO1 1 HETATM 9950 H H21 . EDO I 4 . ? -20.58546 -48.21062 7.04234 1.000 44.37408 ? 102 EDO X H21 1 HETATM 9951 H H22 . EDO I 4 . ? -21.42417 -49.26066 6.25655 1.000 44.37408 ? 102 EDO X H22 1 HETATM 9952 H HO2 . EDO I 4 . ? -21.64315 -47.05805 5.06068 1.000 76.08325 ? 102 EDO X HO2 1 HETATM 9953 C C1 . EDO J 4 . ? -52.16938 -52.26179 22.14225 1.000 45.82186 ? 301 EDO M C1 1 HETATM 9954 O O1 . EDO J 4 . ? -52.40244 -51.10493 21.38082 1.000 44.28169 ? 301 EDO M O1 1 HETATM 9955 C C2 . EDO J 4 . ? -52.90085 -52.16521 23.45048 1.000 41.79776 ? 301 EDO M C2 1 HETATM 9956 O O2 . EDO J 4 . ? -54.30532 -52.02674 23.26138 1.000 41.68844 ? 301 EDO M O2 1 HETATM 9957 H H11 . EDO J 4 . ? -51.22361 -52.38178 22.32118 1.000 54.98301 ? 301 EDO M H11 1 HETATM 9958 H H12 . EDO J 4 . ? -52.46821 -53.05769 21.67519 1.000 54.98301 ? 301 EDO M H12 1 HETATM 9959 H HO1 . EDO J 4 . ? -52.44791 -51.35111 20.56871 1.000 53.13480 ? 301 EDO M HO1 1 HETATM 9960 H H21 . EDO J 4 . ? -52.52450 -51.41236 23.93263 1.000 50.15408 ? 301 EDO M H21 1 HETATM 9961 H H22 . EDO J 4 . ? -52.68080 -52.96102 23.95957 1.000 50.15408 ? 301 EDO M H22 1 HETATM 9962 H HO2 . EDO J 4 . ? -54.67192 -51.95856 24.02503 1.000 50.02289 ? 301 EDO M HO2 1 HETATM 9963 C C1 . EDO K 4 . ? -57.14465 -62.22502 8.11952 1.000 73.61038 ? 302 EDO M C1 1 HETATM 9964 O O1 . EDO K 4 . ? -56.96718 -63.15386 7.07954 1.000 43.39693 ? 302 EDO M O1 1 HETATM 9965 C C2 . EDO K 4 . ? -58.55788 -61.69698 8.10186 1.000 48.27306 ? 302 EDO M C2 1 HETATM 9966 O O2 . EDO K 4 . ? -59.38474 -62.45016 8.96477 1.000 46.06712 ? 302 EDO M O2 1 HETATM 9967 H H11 . EDO K 4 . ? -56.53168 -61.47821 8.03323 1.000 88.32923 ? 302 EDO M H11 1 HETATM 9968 H H12 . EDO K 4 . ? -56.97324 -62.62818 8.98496 1.000 88.32923 ? 302 EDO M H12 1 HETATM 9969 H HO1 . EDO K 4 . ? -57.65733 -63.64767 7.04610 1.000 52.07309 ? 302 EDO M HO1 1 HETATM 9970 H H21 . EDO K 4 . ? -58.86691 -61.72540 7.18284 1.000 57.92445 ? 302 EDO M H21 1 HETATM 9971 H H22 . EDO K 4 . ? -58.52138 -60.76140 8.35537 1.000 57.92445 ? 302 EDO M H22 1 HETATM 9972 H HO2 . EDO K 4 . ? -59.17342 -63.26966 8.88536 1.000 55.27732 ? 302 EDO M HO2 1 HETATM 9973 C C1 . EDO L 4 . ? -16.74187 -42.72383 16.20084 1.000 24.16541 ? 201 EDO B C1 1 HETATM 9974 O O1 . EDO L 4 . ? -16.67799 -44.13582 16.26832 1.000 25.14600 ? 201 EDO B O1 1 HETATM 9975 C C2 . EDO L 4 . ? -17.10424 -42.20557 17.56934 1.000 27.34763 ? 201 EDO B C2 1 HETATM 9976 O O2 . EDO L 4 . ? -18.42870 -42.61727 17.88096 1.000 26.97718 ? 201 EDO B O2 1 HETATM 9977 H H11 . EDO L 4 . ? -17.40505 -42.42479 15.55922 1.000 28.99526 ? 201 EDO B H11 1 HETATM 9978 H H12 . EDO L 4 . ? -15.89481 -42.33890 15.92659 1.000 28.99526 ? 201 EDO B H12 1 HETATM 9979 H HO1 . EDO L 4 . ? -16.10195 -44.39379 15.70172 1.000 30.17197 ? 201 EDO B HO1 1 HETATM 9980 H H21 . EDO L 4 . ? -17.00776 -41.24043 17.55972 1.000 32.81392 ? 201 EDO B H21 1 HETATM 9981 H H22 . EDO L 4 . ? -16.45128 -42.54517 18.20118 1.000 32.81392 ? 201 EDO B H22 1 HETATM 9982 H HO2 . EDO L 4 . ? -18.65205 -42.28446 18.63126 1.000 32.36938 ? 201 EDO B HO2 1 HETATM 9983 C C1 . EDO M 4 . ? 1.93491 -53.68617 -3.47240 1.000 58.48055 ? 202 EDO B C1 1 HETATM 9984 O O1 . EDO M 4 . ? 3.27936 -53.27931 -3.55969 1.000 32.29474 ? 202 EDO B O1 1 HETATM 9985 C C2 . EDO M 4 . ? 1.04160 -52.48683 -3.65559 1.000 47.77726 ? 202 EDO B C2 1 HETATM 9986 O O2 . EDO M 4 . ? 0.08695 -52.71907 -4.66677 1.000 79.12813 ? 202 EDO B O2 1 HETATM 9987 H H11 . EDO M 4 . ? 1.74259 -54.09421 -2.61367 1.000 70.17343 ? 202 EDO B H11 1 HETATM 9988 H H12 . EDO M 4 . ? 1.71914 -54.34627 -4.14961 1.000 70.17343 ? 202 EDO B H12 1 HETATM 9989 H HO1 . EDO M 4 . ? 3.76178 -53.97748 -3.52726 1.000 38.75046 ? 202 EDO B HO1 1 HETATM 9990 H H21 . EDO M 4 . ? 1.61227 -51.72950 -3.85976 1.000 57.32948 ? 202 EDO B H21 1 HETATM 9991 H H22 . EDO M 4 . ? 0.62719 -52.30112 -2.79846 1.000 57.32948 ? 202 EDO B H22 1 HETATM 9992 H HO2 . EDO M 4 . ? -0.45805 -53.30609 -4.38329 1.000 94.95052 ? 202 EDO B HO2 1 HETATM 9993 O O . HOH N 5 . ? 4.95521 -68.53257 35.36158 1.000 37.90538 ? 401 HOH C O 1 HETATM 9994 O O . HOH N 5 . ? 13.99889 -60.96587 31.20134 1.000 52.33980 ? 402 HOH C O 1 HETATM 9995 O O . HOH N 5 . ? 1.36878 -56.00201 46.09415 1.000 53.04527 ? 403 HOH C O 1 HETATM 9996 O O . HOH N 5 . ? 18.10511 -57.62223 36.36229 1.000 42.20920 ? 404 HOH C O 1 HETATM 9997 O O . HOH N 5 . ? 1.21417 -64.99125 41.71746 1.000 42.33139 ? 405 HOH C O 1 HETATM 9998 O O . HOH N 5 . ? -10.72266 -54.53181 29.28727 1.000 44.89199 ? 406 HOH C O 1 HETATM 9999 O O . HOH N 5 . ? -3.27379 -56.42733 41.26194 1.000 51.16521 ? 407 HOH C O 1 HETATM 10000 O O . HOH N 5 . ? -1.48599 -50.20706 40.62143 1.000 34.97837 ? 408 HOH C O 1 HETATM 10001 O O . HOH N 5 . ? -12.01313 -50.10433 29.47025 1.000 30.37484 ? 409 HOH C O 1 HETATM 10002 O O . HOH N 5 . ? 14.80047 -62.67036 47.23172 1.000 35.34550 ? 410 HOH C O 1 HETATM 10003 O O . HOH N 5 . ? 7.33660 -31.58937 25.28346 1.000 41.34479 ? 411 HOH C O 1 HETATM 10004 O O . HOH N 5 . ? 7.40364 -32.13896 22.53390 1.000 38.45147 ? 412 HOH C O 1 HETATM 10005 O O . HOH N 5 . ? 12.34413 -55.51302 23.90043 1.000 26.49969 ? 413 HOH C O 1 HETATM 10006 O O . HOH N 5 . ? 16.16232 -52.61397 29.03995 1.000 36.27522 ? 414 HOH C O 1 HETATM 10007 O O . HOH N 5 . ? 18.288 -50.954 35.269 1.000 51.63097 ? 415 HOH C O 1 HETATM 10008 O O . HOH N 5 . ? 12.86418 -60.69168 47.71626 1.000 52.57901 ? 416 HOH C O 1 HETATM 10009 O O . HOH N 5 . ? 14.63420 -47.84745 29.70734 1.000 25.68952 ? 417 HOH C O 1 HETATM 10010 O O . HOH N 5 . ? 0.91726 -59.30128 19.92959 1.000 29.98958 ? 418 HOH C O 1 HETATM 10011 O O . HOH N 5 . ? 3.16348 -60.78279 25.87323 1.000 24.10285 ? 419 HOH C O 1 HETATM 10012 O O . HOH N 5 . ? -12.88310 -44.38460 28.44307 1.000 40.87211 ? 420 HOH C O 1 HETATM 10013 O O . HOH N 5 . ? -12.40675 -42.79637 27.73916 1.000 49.01641 ? 421 HOH C O 1 HETATM 10014 O O . HOH N 5 . ? 5.88994 -34.72906 14.00329 1.000 32.18718 ? 422 HOH C O 1 HETATM 10015 O O . HOH N 5 . ? 0.86011 -49.17131 39.45116 1.000 29.34078 ? 423 HOH C O 1 HETATM 10016 O O . HOH N 5 . ? 1.94184 -34.16257 36.68650 1.000 32.85543 ? 424 HOH C O 1 HETATM 10017 O O . HOH N 5 . ? -5.01222 -33.38784 27.75226 1.000 33.76004 ? 425 HOH C O 1 HETATM 10018 O O . HOH N 5 . ? 15.76481 -48.18451 25.04331 1.000 35.95811 ? 426 HOH C O 1 HETATM 10019 O O . HOH N 5 . ? -5.18615 -51.27746 36.94470 1.000 24.59922 ? 427 HOH C O 1 HETATM 10020 O O . HOH N 5 . ? 3.36115 -31.76912 23.60196 1.000 45.66335 ? 428 HOH C O 1 HETATM 10021 O O . HOH N 5 . ? 16.54241 -57.26070 34.25380 1.000 24.37803 ? 429 HOH C O 1 HETATM 10022 O O . HOH N 5 . ? -0.85432 -59.13148 27.39996 1.000 29.24652 ? 430 HOH C O 1 HETATM 10023 O O . HOH N 5 . ? -1.65887 -41.24291 24.89806 1.000 18.92589 ? 431 HOH C O 1 HETATM 10024 O O . HOH N 5 . ? -2.65489 -35.32038 16.83967 1.000 31.93420 ? 432 HOH C O 1 HETATM 10025 O O . HOH N 5 . ? 12.16650 -34.04249 25.18489 1.000 50.54803 ? 433 HOH C O 1 HETATM 10026 O O . HOH N 5 . ? 7.42626 -40.97880 17.46636 1.000 26.30859 ? 434 HOH C O 1 HETATM 10027 O O . HOH N 5 . ? -1.04872 -61.23751 43.15515 1.000 40.64576 ? 435 HOH C O 1 HETATM 10028 O O . HOH N 5 . ? 5.19585 -66.88173 41.64982 1.000 44.70992 ? 436 HOH C O 1 HETATM 10029 O O . HOH N 5 . ? 11.56311 -47.35599 22.99699 1.000 20.35845 ? 437 HOH C O 1 HETATM 10030 O O . HOH N 5 . ? 10.81641 -43.48968 35.66709 1.000 28.01931 ? 438 HOH C O 1 HETATM 10031 O O . HOH N 5 . ? 8.99018 -65.21784 30.21645 1.000 45.37116 ? 439 HOH C O 1 HETATM 10032 O O . HOH N 5 . ? 10.72180 -39.46276 23.21368 1.000 27.43708 ? 440 HOH C O 1 HETATM 10033 O O . HOH N 5 . ? 1.00063 -34.09937 24.64448 1.000 24.22767 ? 441 HOH C O 1 HETATM 10034 O O . HOH N 5 . ? 11.58391 -38.60036 30.99819 1.000 28.65669 ? 442 HOH C O 1 HETATM 10035 O O . HOH N 5 . ? 6.76708 -45.82381 40.63800 1.000 41.08642 ? 443 HOH C O 1 HETATM 10036 O O . HOH N 5 . ? 2.99283 -62.63361 32.18669 1.000 26.02627 ? 444 HOH C O 1 HETATM 10037 O O . HOH N 5 . ? 10.17260 -66.34594 46.07815 1.000 34.86483 ? 445 HOH C O 1 HETATM 10038 O O . HOH N 5 . ? 16.56994 -45.32226 32.77124 1.000 40.48870 ? 446 HOH C O 1 HETATM 10039 O O . HOH N 5 . ? 11.57017 -33.00682 27.30485 1.000 32.93504 ? 447 HOH C O 1 HETATM 10040 O O . HOH N 5 . ? 13.95294 -65.98257 44.05883 1.000 33.65826 ? 448 HOH C O 1 HETATM 10041 O O . HOH N 5 . ? 5.16926 -60.81784 23.96298 1.000 23.08576 ? 449 HOH C O 1 HETATM 10042 O O . HOH N 5 . ? 3.49360 -43.66793 38.85925 1.000 37.05847 ? 450 HOH C O 1 HETATM 10043 O O . HOH N 5 . ? 21.010 -64.909 50.117 1.000 29.85449 ? 451 HOH C O 1 HETATM 10044 O O . HOH N 5 . ? 2.40400 -37.18694 12.73483 1.000 25.20261 ? 452 HOH C O 1 HETATM 10045 O O . HOH N 5 . ? -10.01454 -38.68567 25.72461 1.000 27.72013 ? 453 HOH C O 1 HETATM 10046 O O . HOH N 5 . ? 0.91904 -31.17024 29.23248 1.000 36.47158 ? 454 HOH C O 1 HETATM 10047 O O . HOH N 5 . ? -0.95615 -55.11343 40.75150 1.000 26.31181 ? 455 HOH C O 1 HETATM 10048 O O . HOH N 5 . ? -0.47326 -38.54433 14.47974 1.000 41.05628 ? 456 HOH C O 1 HETATM 10049 O O . HOH N 5 . ? -3.77133 -58.06024 25.74821 1.000 34.35696 ? 457 HOH C O 1 HETATM 10050 O O . HOH N 5 . ? 3.03188 -59.85308 45.66250 1.000 31.45774 ? 458 HOH C O 1 HETATM 10051 O O . HOH N 5 . ? 10.70066 -41.65567 25.22887 1.000 22.82577 ? 459 HOH C O 1 HETATM 10052 O O . HOH N 5 . ? -0.14567 -46.47266 34.15297 1.000 22.85974 ? 460 HOH C O 1 HETATM 10053 O O . HOH N 5 . ? -5.07036 -60.88507 26.98294 1.000 53.01864 ? 461 HOH C O 1 HETATM 10054 O O . HOH N 5 . ? -12.10891 -47.83012 27.85348 1.000 30.89589 ? 462 HOH C O 1 HETATM 10055 O O . HOH N 5 . ? -8.88415 -44.92524 32.83126 1.000 44.64226 ? 463 HOH C O 1 HETATM 10056 O O . HOH N 5 . ? -2.26349 -40.17010 32.16916 1.000 28.28030 ? 464 HOH C O 1 HETATM 10057 O O . HOH N 5 . ? -2.79073 -39.33776 39.89505 1.000 62.33346 ? 465 HOH C O 1 HETATM 10058 O O . HOH N 5 . ? 8.803 -53.436 44.587 1.000 63.15229 ? 466 HOH C O 1 HETATM 10059 O O . HOH N 5 . ? 17.77668 -65.46366 51.45302 1.000 90.10511 ? 467 HOH C O 1 HETATM 10060 O O . HOH N 5 . ? -8.94033 -51.61571 36.09143 1.000 43.10180 ? 468 HOH C O 1 HETATM 10061 O O . HOH N 5 . ? 11.77216 -59.05980 24.88990 1.000 39.67034 ? 469 HOH C O 1 HETATM 10062 O O . HOH N 5 . ? -10.14753 -57.24243 32.35113 1.000 37.87797 ? 470 HOH C O 1 HETATM 10063 O O . HOH N 5 . ? 10.73240 -59.97541 20.17214 1.000 31.69098 ? 471 HOH C O 1 HETATM 10064 O O . HOH N 5 . ? 10.22658 -38.63823 15.17032 1.000 25.63268 ? 472 HOH C O 1 HETATM 10065 O O . HOH N 5 . ? 1.65729 -44.19409 40.48889 1.000 39.50246 ? 473 HOH C O 1 HETATM 10066 O O . HOH N 5 . ? 14.57403 -41.93555 28.45620 1.000 43.20708 ? 474 HOH C O 1 HETATM 10067 O O . HOH N 5 . ? 1.51569 -38.66804 29.32824 1.000 21.20171 ? 475 HOH C O 1 HETATM 10068 O O . HOH N 5 . ? 9.34932 -39.70662 38.61414 1.000 55.77472 ? 476 HOH C O 1 HETATM 10069 O O . HOH N 5 . ? 11.97805 -44.68477 23.20952 1.000 56.48183 ? 477 HOH C O 1 HETATM 10070 O O . HOH N 5 . ? 14.11079 -63.52825 49.57711 1.000 61.46778 ? 478 HOH C O 1 HETATM 10071 O O . HOH N 5 . ? 4.43201 -32.07991 26.14816 1.000 35.00240 ? 479 HOH C O 1 HETATM 10072 O O . HOH N 5 . ? -0.97526 -43.39999 42.11716 1.000 49.93129 ? 480 HOH C O 1 HETATM 10073 O O . HOH N 5 . ? 10.68903 -30.82072 23.64035 1.000 45.56086 ? 481 HOH C O 1 HETATM 10074 O O . HOH N 5 . ? 7.11284 -67.02107 29.43145 1.000 51.53188 ? 482 HOH C O 1 HETATM 10075 O O . HOH N 5 . ? -3.71501 -43.67739 39.40648 1.000 41.20812 ? 483 HOH C O 1 HETATM 10076 O O . HOH N 5 . ? -9.85496 -52.95161 33.83383 1.000 34.23097 ? 484 HOH C O 1 HETATM 10077 O O . HOH N 5 . ? 13.46555 -45.27313 29.17424 1.000 24.52686 ? 485 HOH C O 1 HETATM 10078 O O . HOH N 5 . ? 9.31678 -42.93941 21.10524 1.000 22.43789 ? 486 HOH C O 1 HETATM 10079 O O . HOH N 5 . ? 4.05846 -62.82910 19.11141 1.000 32.18482 ? 487 HOH C O 1 HETATM 10080 O O . HOH N 5 . ? 2.65048 -61.74415 21.02252 1.000 33.43730 ? 488 HOH C O 1 HETATM 10081 O O . HOH N 5 . ? 9.05721 -52.41608 43.05946 1.000 40.40063 ? 489 HOH C O 1 HETATM 10082 O O . HOH N 5 . ? -0.65505 -35.05675 35.69913 1.000 34.10080 ? 490 HOH C O 1 HETATM 10083 O O . HOH N 5 . ? 18.468 -56.538 32.730 1.000 36.19333 ? 491 HOH C O 1 HETATM 10084 O O . HOH N 5 . ? 10.57664 -48.16248 38.50891 1.000 31.17746 ? 492 HOH C O 1 HETATM 10085 O O . HOH N 5 . ? 15.96300 -56.13773 27.01884 1.000 62.34737 ? 493 HOH C O 1 HETATM 10086 O O . HOH N 5 . ? 6.79522 -29.40774 31.60873 1.000 47.93857 ? 494 HOH C O 1 HETATM 10087 O O . HOH N 5 . ? 6.69378 -57.53957 47.62996 1.000 36.53757 ? 495 HOH C O 1 HETATM 10088 O O . HOH N 5 . ? -5.06776 -39.54209 31.23390 1.000 45.12712 ? 496 HOH C O 1 HETATM 10089 O O . HOH N 5 . ? -8.26907 -53.07037 38.22174 1.000 60.09500 ? 497 HOH C O 1 HETATM 10090 O O . HOH N 5 . ? -4.93654 -46.30951 39.12612 1.000 47.20993 ? 498 HOH C O 1 HETATM 10091 O O . HOH N 5 . ? 7.21662 -64.41120 47.80715 1.000 42.31623 ? 499 HOH C O 1 HETATM 10092 O O . HOH N 5 . ? 13.07831 -59.93441 28.30665 1.000 54.85209 ? 500 HOH C O 1 HETATM 10093 O O . HOH N 5 . ? 16.57383 -65.04974 34.37790 1.000 53.40929 ? 501 HOH C O 1 HETATM 10094 O O . HOH N 5 . ? 9.88440 -40.19818 20.69460 1.000 25.05479 ? 502 HOH C O 1 HETATM 10095 O O . HOH N 5 . ? 24.10888 -64.15105 42.60525 1.000 28.85258 ? 503 HOH C O 1 HETATM 10096 O O . HOH N 5 . ? 11.67829 -36.59398 19.07027 1.000 49.37625 ? 504 HOH C O 1 HETATM 10097 O O . HOH N 5 . ? 19.38133 -65.30446 41.44817 1.000 30.87379 ? 505 HOH C O 1 HETATM 10098 O O . HOH N 5 . ? 9.03551 -34.57173 35.20431 1.000 49.91521 ? 506 HOH C O 1 HETATM 10099 O O . HOH N 5 . ? 6.58291 -68.52855 39.24356 1.000 35.10721 ? 507 HOH C O 1 HETATM 10100 O O . HOH N 5 . ? 19.436 -58.407 48.589 1.000 38.37143 ? 508 HOH C O 1 HETATM 10101 O O . HOH N 5 . ? 17.70701 -64.31994 37.17382 1.000 54.75821 ? 509 HOH C O 1 HETATM 10102 O O . HOH N 5 . ? -5.14453 -32.83117 20.87321 1.000 49.51187 ? 510 HOH C O 1 HETATM 10103 O O . HOH N 5 . ? -4.23733 -31.43609 29.60097 1.000 45.39942 ? 511 HOH C O 1 HETATM 10104 O O . HOH N 5 . ? -9.89097 -56.17923 25.97711 1.000 49.98719 ? 512 HOH C O 1 HETATM 10105 O O . HOH N 5 . ? 12.70378 -45.98985 38.66745 1.000 47.50480 ? 513 HOH C O 1 HETATM 10106 O O . HOH N 5 . ? 18.92979 -64.97692 39.56980 1.000 37.90446 ? 514 HOH C O 1 HETATM 10107 O O . HOH N 5 . ? 0.46257 -61.20269 29.59434 1.000 47.40007 ? 515 HOH C O 1 HETATM 10108 O O . HOH N 5 . ? 16.905 -58.713 49.716 1.000 65.23386 ? 516 HOH C O 1 HETATM 10109 O O . HOH N 5 . ? -1.50921 -32.56852 26.28262 1.000 55.39696 ? 517 HOH C O 1 HETATM 10110 O O . HOH N 5 . ? 13.18694 -42.47931 26.16415 1.000 44.30825 ? 518 HOH C O 1 HETATM 10111 O O . HOH N 5 . ? -5.88991 -38.08797 29.65580 1.000 48.96294 ? 519 HOH C O 1 HETATM 10112 O O . HOH N 5 . ? 7.75555 -42.97053 40.27199 1.000 56.67454 ? 520 HOH C O 1 HETATM 10113 O O . HOH N 5 . ? -1.38411 -65.48783 36.02663 1.000 52.90802 ? 521 HOH C O 1 HETATM 10114 O O . HOH N 5 . ? 2.59550 -30.83335 26.96483 1.000 54.19356 ? 522 HOH C O 1 HETATM 10115 O O . HOH N 5 . ? 19.377 -59.123 30.587 1.000 60.36607 ? 523 HOH C O 1 HETATM 10116 O O . HOH N 5 . ? 11.59391 -39.17451 19.15019 1.000 54.34528 ? 524 HOH C O 1 HETATM 10117 O O . HOH N 5 . ? 3.00544 -62.75448 16.65099 1.000 37.54106 ? 525 HOH C O 1 HETATM 10118 O O . HOH N 5 . ? -5.64620 -42.07328 35.88991 1.000 56.98076 ? 526 HOH C O 1 HETATM 10119 O O . HOH N 5 . ? 15.35982 -59.55572 46.91608 1.000 46.18923 ? 527 HOH C O 1 HETATM 10120 O O . HOH N 5 . ? -4.06835 -31.30330 26.03723 1.000 45.52782 ? 528 HOH C O 1 HETATM 10121 O O . HOH N 5 . ? 13.01044 -41.84876 35.90189 1.000 48.18033 ? 529 HOH C O 1 HETATM 10122 O O . HOH N 5 . ? 11.53411 -63.98715 48.80136 1.000 54.57439 ? 530 HOH C O 1 HETATM 10123 O O . HOH N 5 . ? 0.01492 -61.26036 45.75168 1.000 58.60845 ? 531 HOH C O 1 HETATM 10124 O O . HOH N 5 . ? 14.94941 -37.42554 31.16586 1.000 63.15031 ? 532 HOH C O 1 HETATM 10125 O O . HOH N 5 . ? 12.94166 -61.70686 28.84963 1.000 41.74565 ? 533 HOH C O 1 HETATM 10126 O O . HOH N 5 . ? 12.30482 -58.66094 21.81214 1.000 48.05980 ? 534 HOH C O 1 HETATM 10127 O O . HOH N 5 . ? 3.76865 -63.50859 23.73264 1.000 69.95844 ? 535 HOH C O 1 HETATM 10128 O O . HOH N 5 . ? 10.16629 -65.38135 48.30824 1.000 45.01942 ? 536 HOH C O 1 HETATM 10129 O O . HOH N 5 . ? 9.13657 -47.05103 40.72399 1.000 40.47111 ? 537 HOH C O 1 HETATM 10130 O O . HOH N 5 . ? -3.95607 -39.29541 34.51820 1.000 43.67786 ? 538 HOH C O 1 HETATM 10131 O O . HOH N 5 . ? 7.60327 -32.30994 14.03997 1.000 45.32484 ? 539 HOH C O 1 HETATM 10132 O O . HOH N 5 . ? 14.751 -71.817 34.743 1.000 39.57793 ? 540 HOH C O 1 HETATM 10133 O O . HOH N 5 . ? -5.99571 -50.40666 39.33622 1.000 40.85322 ? 541 HOH C O 1 HETATM 10134 O O . HOH N 5 . ? 19.769 -58.865 32.957 1.000 78.27851 ? 542 HOH C O 1 HETATM 10135 O O . HOH N 5 . ? 1.47407 -63.04140 25.56778 1.000 59.22005 ? 543 HOH C O 1 HETATM 10136 O O . HOH N 5 . ? 6.93168 -29.74567 21.50483 1.000 45.70326 ? 544 HOH C O 1 HETATM 10137 O O . HOH N 5 . ? 14.39284 -44.26582 24.77331 1.000 50.06560 ? 545 HOH C O 1 HETATM 10138 O O . HOH N 5 . ? -1.09465 -33.90833 11.75392 1.000 47.87570 ? 546 HOH C O 1 HETATM 10139 O O . HOH N 5 . ? -3.47224 -32.77148 12.58263 1.000 48.95090 ? 547 HOH C O 1 HETATM 10140 O O . HOH N 5 . ? 13.01695 -31.09154 29.09482 1.000 57.36773 ? 548 HOH C O 1 HETATM 10141 O O . HOH N 5 . ? 13.34397 -39.81841 34.93630 1.000 45.39704 ? 549 HOH C O 1 HETATM 10142 O O . HOH N 5 . ? 0.21470 -31.33945 25.23709 1.000 37.29459 ? 550 HOH C O 1 HETATM 10143 O O . HOH N 5 . ? 12.35678 -37.43118 33.29773 1.000 38.47443 ? 551 HOH C O 1 HETATM 10144 O O . HOH N 5 . ? -12.85393 -53.78642 31.20245 1.000 56.48866 ? 552 HOH C O 1 HETATM 10145 O O . HOH N 5 . ? -0.61855 -54.49036 43.54852 1.000 55.84190 ? 553 HOH C O 1 HETATM 10146 O O . HOH N 5 . ? 12.11222 -38.72302 16.89293 1.000 47.23440 ? 554 HOH C O 1 HETATM 10147 O O . HOH N 5 . ? 2.34312 -51.70613 45.53404 1.000 46.34176 ? 555 HOH C O 1 HETATM 10148 O O . HOH N 5 . ? -2.97514 -59.81561 23.32992 1.000 46.86952 ? 556 HOH C O 1 HETATM 10149 O O . HOH N 5 . ? 14.50227 -39.88080 23.93963 1.000 68.02945 ? 557 HOH C O 1 HETATM 10150 O O . HOH O 5 . ? -30.34810 -26.71916 12.99675 1.000 52.45471 ? 201 HOH X O 1 HETATM 10151 O O . HOH O 5 . ? -23.818 -46.012 5.002 1.000 27.95986 ? 202 HOH X O 1 HETATM 10152 O O . HOH O 5 . ? -19.922 -24.747 10.210 1.000 70.90083 ? 203 HOH X O 1 HETATM 10153 O O . HOH O 5 . ? -23.89607 -26.47276 30.42137 1.000 42.02065 ? 204 HOH X O 1 HETATM 10154 O O . HOH O 5 . ? -32.95222 -28.34169 1.03125 1.000 30.64825 ? 205 HOH X O 1 HETATM 10155 O O . HOH O 5 . ? -14.01774 -50.22404 5.46492 1.000 53.19885 ? 206 HOH X O 1 HETATM 10156 O O . HOH O 5 . ? -37.12780 -30.57109 0.23229 1.000 44.15022 ? 207 HOH X O 1 HETATM 10157 O O . HOH O 5 . ? -24.25607 -38.90455 6.47796 1.000 34.91466 ? 208 HOH X O 1 HETATM 10158 O O . HOH O 5 . ? -28.51073 -36.70565 11.95121 1.000 36.30680 ? 209 HOH X O 1 HETATM 10159 O O . HOH O 5 . ? -34.87041 -29.79653 10.30581 1.000 43.03567 ? 210 HOH X O 1 HETATM 10160 O O . HOH O 5 . ? -26.06338 -36.42236 20.86573 1.000 37.96929 ? 211 HOH X O 1 HETATM 10161 O O . HOH O 5 . ? -20.92764 -29.92828 20.09426 1.000 25.94469 ? 212 HOH X O 1 HETATM 10162 O O . HOH O 5 . ? -30.25494 -35.99091 -6.69806 1.000 50.41336 ? 213 HOH X O 1 HETATM 10163 O O . HOH O 5 . ? -30.81607 -35.64213 6.34665 1.000 45.99315 ? 214 HOH X O 1 HETATM 10164 O O . HOH O 5 . ? -14.18719 -34.40740 -2.45810 1.000 33.46621 ? 215 HOH X O 1 HETATM 10165 O O . HOH O 5 . ? -27.78890 -39.74219 -2.92012 1.000 36.82501 ? 216 HOH X O 1 HETATM 10166 O O . HOH O 5 . ? -19.20988 -42.21659 20.48032 1.000 28.42548 ? 217 HOH X O 1 HETATM 10167 O O . HOH O 5 . ? -11.86125 -39.80209 1.27273 1.000 22.70400 ? 218 HOH X O 1 HETATM 10168 O O . HOH O 5 . ? -28.92093 -36.61568 17.93523 1.000 42.92025 ? 219 HOH X O 1 HETATM 10169 O O . HOH O 5 . ? -25.28987 -24.97616 18.92189 1.000 59.23818 ? 220 HOH X O 1 HETATM 10170 O O . HOH O 5 . ? -21.81087 -37.46459 -7.18653 1.000 36.61249 ? 221 HOH X O 1 HETATM 10171 O O . HOH O 5 . ? -21.08055 -32.16831 23.07121 1.000 18.84291 ? 222 HOH X O 1 HETATM 10172 O O . HOH O 5 . ? -20.18522 -25.74922 14.63236 1.000 48.00112 ? 223 HOH X O 1 HETATM 10173 O O . HOH O 5 . ? -12.54231 -27.86408 13.49378 1.000 43.49994 ? 224 HOH X O 1 HETATM 10174 O O . HOH O 5 . ? -15.68605 -37.01683 21.07305 1.000 16.59783 ? 225 HOH X O 1 HETATM 10175 O O . HOH O 5 . ? -29.64366 -38.10202 3.21133 1.000 37.89233 ? 226 HOH X O 1 HETATM 10176 O O . HOH O 5 . ? -26.93150 -38.14688 14.69442 1.000 29.16454 ? 227 HOH X O 1 HETATM 10177 O O . HOH O 5 . ? -9.15263 -33.05238 22.24385 1.000 51.04259 ? 228 HOH X O 1 HETATM 10178 O O . HOH O 5 . ? -10.42426 -37.32436 29.34902 1.000 56.85466 ? 229 HOH X O 1 HETATM 10179 O O . HOH O 5 . ? -33.13898 -32.38299 8.83644 1.000 41.63386 ? 230 HOH X O 1 HETATM 10180 O O . HOH O 5 . ? -14.85711 -34.78451 4.25440 1.000 18.31038 ? 231 HOH X O 1 HETATM 10181 O O . HOH O 5 . ? -15.00972 -36.63666 1.38842 1.000 20.22898 ? 232 HOH X O 1 HETATM 10182 O O . HOH O 5 . ? -29.17556 -28.87654 -5.00337 1.000 35.26519 ? 233 HOH X O 1 HETATM 10183 O O . HOH O 5 . ? -27.48743 -38.28152 7.07641 1.000 38.83324 ? 234 HOH X O 1 HETATM 10184 O O . HOH O 5 . ? -30.21656 -34.21501 16.98174 1.000 40.33897 ? 235 HOH X O 1 HETATM 10185 O O . HOH O 5 . ? -26.31479 -23.45317 9.42343 1.000 24.66931 ? 236 HOH X O 1 HETATM 10186 O O . HOH O 5 . ? -14.21250 -30.01367 0.30706 1.000 34.47140 ? 237 HOH X O 1 HETATM 10187 O O . HOH O 5 . ? -25.56390 -30.54217 31.71729 1.000 19.46746 ? 238 HOH X O 1 HETATM 10188 O O . HOH O 5 . ? -17.30533 -25.58652 -1.05914 1.000 39.99076 ? 239 HOH X O 1 HETATM 10189 O O . HOH O 5 . ? -33.83315 -30.69909 18.66005 1.000 60.28841 ? 240 HOH X O 1 HETATM 10190 O O . HOH O 5 . ? -34.72952 -27.27373 -0.86329 1.000 46.44994 ? 241 HOH X O 1 HETATM 10191 O O . HOH O 5 . ? -22.13888 -34.61229 23.69648 1.000 20.48112 ? 242 HOH X O 1 HETATM 10192 O O . HOH O 5 . ? -33.18383 -27.79617 16.68925 1.000 49.75576 ? 243 HOH X O 1 HETATM 10193 O O . HOH O 5 . ? -17.41574 -34.73333 -6.38880 1.000 52.29572 ? 244 HOH X O 1 HETATM 10194 O O . HOH O 5 . ? -14.14643 -48.78939 -0.25146 1.000 20.16118 ? 245 HOH X O 1 HETATM 10195 O O . HOH O 5 . ? -21.56752 -40.78549 19.81932 1.000 29.94406 ? 246 HOH X O 1 HETATM 10196 O O . HOH O 5 . ? -24.19672 -33.76657 -8.88575 1.000 36.47759 ? 247 HOH X O 1 HETATM 10197 O O . HOH O 5 . ? -13.07238 -31.19216 18.25871 1.000 25.30228 ? 248 HOH X O 1 HETATM 10198 O O . HOH O 5 . ? -28.89080 -37.89560 20.13239 1.000 59.03138 ? 249 HOH X O 1 HETATM 10199 O O . HOH O 5 . ? -25.75259 -31.35038 -7.72112 1.000 36.35710 ? 250 HOH X O 1 HETATM 10200 O O . HOH O 5 . ? -28.30515 -25.33322 14.14645 1.000 54.06344 ? 251 HOH X O 1 HETATM 10201 O O . HOH O 5 . ? -27.25900 -27.07622 21.05199 1.000 39.03940 ? 252 HOH X O 1 HETATM 10202 O O . HOH O 5 . ? -11.89492 -47.26620 3.76359 1.000 19.14222 ? 253 HOH X O 1 HETATM 10203 O O . HOH O 5 . ? -8.82734 -28.19520 10.51582 1.000 55.95167 ? 254 HOH X O 1 HETATM 10204 O O . HOH O 5 . ? -15.86378 -30.21829 12.26879 1.000 24.33753 ? 255 HOH X O 1 HETATM 10205 O O . HOH O 5 . ? -23.80004 -29.61145 -8.17231 1.000 44.31900 ? 256 HOH X O 1 HETATM 10206 O O . HOH O 5 . ? -16.64935 -37.00003 3.75319 1.000 17.73206 ? 257 HOH X O 1 HETATM 10207 O O . HOH O 5 . ? -31.51226 -27.66791 21.55351 1.000 52.06322 ? 258 HOH X O 1 HETATM 10208 O O . HOH O 5 . ? -13.40057 -35.81898 26.78755 1.000 31.35045 ? 259 HOH X O 1 HETATM 10209 O O . HOH O 5 . ? -22.06831 -25.21916 -5.55727 1.000 33.07336 ? 260 HOH X O 1 HETATM 10210 O O . HOH O 5 . ? -28.00693 -25.93048 -2.83794 1.000 45.44454 ? 261 HOH X O 1 HETATM 10211 O O . HOH O 5 . ? -21.58282 -27.70213 13.12661 1.000 34.76739 ? 262 HOH X O 1 HETATM 10212 O O . HOH O 5 . ? -15.08470 -49.48832 6.81001 1.000 32.17521 ? 263 HOH X O 1 HETATM 10213 O O . HOH O 5 . ? -23.51573 -21.89336 2.07457 1.000 30.44818 ? 264 HOH X O 1 HETATM 10214 O O . HOH O 5 . ? -28.60026 -23.35659 15.59227 1.000 48.45773 ? 265 HOH X O 1 HETATM 10215 O O . HOH O 5 . ? -8.88816 -27.26663 8.22569 1.000 40.54509 ? 266 HOH X O 1 HETATM 10216 O O . HOH O 5 . ? -26.83744 -23.46158 12.04951 1.000 33.78987 ? 267 HOH X O 1 HETATM 10217 O O . HOH O 5 . ? -25.29383 -25.25365 16.24622 1.000 29.78219 ? 268 HOH X O 1 HETATM 10218 O O . HOH O 5 . ? -33.65267 -34.49036 4.82434 1.000 45.45106 ? 269 HOH X O 1 HETATM 10219 O O . HOH O 5 . ? -35.48736 -33.88295 13.38499 1.000 52.58735 ? 270 HOH X O 1 HETATM 10220 O O . HOH O 5 . ? -26.51636 -26.78494 24.64320 1.000 45.61783 ? 271 HOH X O 1 HETATM 10221 O O . HOH O 5 . ? -12.73355 -33.04043 -6.10416 1.000 56.76014 ? 272 HOH X O 1 HETATM 10222 O O . HOH O 5 . ? -33.255 -25.245 6.794 1.000 39.21786 ? 273 HOH X O 1 HETATM 10223 O O . HOH O 5 . ? -29.46623 -32.66813 -4.31922 1.000 48.96866 ? 274 HOH X O 1 HETATM 10224 O O . HOH O 5 . ? -8.87779 -29.90768 13.07648 1.000 38.01039 ? 275 HOH X O 1 HETATM 10225 O O . HOH O 5 . ? -17.62430 -44.17661 7.95552 1.000 42.12328 ? 276 HOH X O 1 HETATM 10226 O O . HOH O 5 . ? -30.29513 -34.35256 13.68177 1.000 60.67316 ? 277 HOH X O 1 HETATM 10227 O O . HOH O 5 . ? -17.84097 -27.61909 23.05819 1.000 52.18839 ? 278 HOH X O 1 HETATM 10228 O O . HOH O 5 . ? -24.66951 -26.63850 -5.77565 1.000 51.50525 ? 279 HOH X O 1 HETATM 10229 O O . HOH O 5 . ? -26.631 -42.175 5.229 1.000 38.96215 ? 280 HOH X O 1 HETATM 10230 O O . HOH O 5 . ? -19.07740 -41.71931 25.38879 1.000 19.80067 ? 281 HOH X O 1 HETATM 10231 O O . HOH O 5 . ? -32.73144 -26.43802 19.04548 1.000 58.00793 ? 282 HOH X O 1 HETATM 10232 O O . HOH O 5 . ? -21.46722 -23.24311 18.85576 1.000 74.58790 ? 283 HOH X O 1 HETATM 10233 O O . HOH O 5 . ? -17.40741 -43.56316 23.59645 1.000 52.48716 ? 284 HOH X O 1 HETATM 10234 O O . HOH O 5 . ? -20.30681 -37.18636 -6.16205 1.000 42.93558 ? 285 HOH X O 1 HETATM 10235 O O . HOH O 5 . ? -16.43158 -27.34191 18.09040 1.000 54.15677 ? 286 HOH X O 1 HETATM 10236 O O . HOH O 5 . ? -30.04051 -38.47477 14.28908 1.000 50.22059 ? 287 HOH X O 1 HETATM 10237 O O . HOH O 5 . ? -35.66231 -35.39237 3.23254 1.000 46.95764 ? 288 HOH X O 1 HETATM 10238 O O . HOH O 5 . ? -26.85010 -26.20310 -4.81047 1.000 56.48568 ? 289 HOH X O 1 HETATM 10239 O O . HOH O 5 . ? -10.689 -35.040 0.259 1.000 37.27079 ? 290 HOH X O 1 HETATM 10240 O O . HOH O 5 . ? -26.10458 -41.26943 -4.37946 1.000 39.42467 ? 291 HOH X O 1 HETATM 10241 O O . HOH O 5 . ? -26.52337 -39.39579 16.13228 1.000 57.92844 ? 292 HOH X O 1 HETATM 10242 O O . HOH O 5 . ? -27.14242 -27.04329 27.27440 1.000 54.82734 ? 293 HOH X O 1 HETATM 10243 O O . HOH O 5 . ? -18.33082 -46.24311 7.83553 1.000 51.84998 ? 294 HOH X O 1 HETATM 10244 O O . HOH O 5 . ? -31.47324 -25.80898 15.42299 1.000 54.71014 ? 295 HOH X O 1 HETATM 10245 O O . HOH O 5 . ? -11.88892 -29.87602 14.28763 1.000 38.90814 ? 296 HOH X O 1 HETATM 10246 O O . HOH O 5 . ? -24.05526 -22.79282 15.17450 1.000 63.41358 ? 297 HOH X O 1 HETATM 10247 O O . HOH O 5 . ? -32.19277 -25.52292 0.75432 1.000 35.94023 ? 298 HOH X O 1 HETATM 10248 O O . HOH O 5 . ? -19.86693 -43.73823 22.66385 1.000 59.70010 ? 299 HOH X O 1 HETATM 10249 O O . HOH O 5 . ? -25.49020 -21.67402 13.12181 1.000 33.65795 ? 300 HOH X O 1 HETATM 10250 O O . HOH O 5 . ? -19.28221 -36.03719 -7.07195 1.000 51.10289 ? 301 HOH X O 1 HETATM 10251 O O . HOH O 5 . ? -28.50594 -40.72351 15.32824 1.000 86.44595 ? 302 HOH X O 1 HETATM 10252 O O . HOH O 5 . ? -27.596 -19.457 16.886 1.000 35.47985 ? 303 HOH X O 1 HETATM 10253 O O . HOH O 5 . ? -21.85554 -22.76222 14.82215 1.000 58.74324 ? 304 HOH X O 1 HETATM 10254 O O . HOH P 5 . ? -4.99139 -28.03141 32.18829 1.000 64.69514 ? 101 HOH Z O 1 HETATM 10255 O O . HOH P 5 . ? -16.06981 -38.28305 42.69238 1.000 68.72224 ? 102 HOH Z O 1 HETATM 10256 O O . HOH P 5 . ? -28.17641 -38.08185 24.29703 1.000 30.55749 ? 103 HOH Z O 1 HETATM 10257 O O . HOH P 5 . ? -17.07820 -32.07135 27.21717 1.000 24.14013 ? 104 HOH Z O 1 HETATM 10258 O O . HOH P 5 . ? -2.262 -29.926 51.592 1.000 49.56776 ? 105 HOH Z O 1 HETATM 10259 O O . HOH P 5 . ? -17.97352 -26.84125 38.38002 1.000 34.38892 ? 106 HOH Z O 1 HETATM 10260 O O . HOH P 5 . ? -5.57162 -32.12501 42.30029 1.000 40.44756 ? 107 HOH Z O 1 HETATM 10261 O O . HOH P 5 . ? -27.29658 -46.81661 46.21523 1.000 34.98742 ? 108 HOH Z O 1 HETATM 10262 O O . HOH P 5 . ? -11.95505 -38.93873 53.84489 1.000 38.72944 ? 109 HOH Z O 1 HETATM 10263 O O . HOH P 5 . ? -9.54531 -37.40695 47.99486 1.000 40.68943 ? 110 HOH Z O 1 HETATM 10264 O O . HOH P 5 . ? -31.79609 -29.91998 45.35635 1.000 28.41656 ? 111 HOH Z O 1 HETATM 10265 O O . HOH P 5 . ? -30.67532 -29.36328 42.66234 1.000 25.85255 ? 112 HOH Z O 1 HETATM 10266 O O . HOH P 5 . ? -7.63749 -30.93580 56.25679 1.000 41.86288 ? 113 HOH Z O 1 HETATM 10267 O O . HOH P 5 . ? -19.16242 -41.74636 30.03891 1.000 30.79558 ? 114 HOH Z O 1 HETATM 10268 O O . HOH P 5 . ? -11.50030 -37.71683 36.40170 1.000 39.09775 ? 115 HOH Z O 1 HETATM 10269 O O . HOH P 5 . ? -23.681 -26.039 48.978 1.000 24.29025 ? 116 HOH Z O 1 HETATM 10270 O O . HOH P 5 . ? -15.338 -45.253 45.540 1.000 26.80498 ? 117 HOH Z O 1 HETATM 10271 O O . HOH P 5 . ? -20.35227 -23.21997 45.60280 1.000 32.23348 ? 118 HOH Z O 1 HETATM 10272 O O . HOH P 5 . ? -27.39382 -38.42182 48.64393 1.000 20.11834 ? 119 HOH Z O 1 HETATM 10273 O O . HOH P 5 . ? -22.50817 -33.37234 56.04637 1.000 38.51285 ? 120 HOH Z O 1 HETATM 10274 O O . HOH P 5 . ? -17.54670 -29.37063 30.29995 1.000 28.27607 ? 121 HOH Z O 1 HETATM 10275 O O . HOH P 5 . ? -24.22593 -35.48885 48.73477 1.000 16.90454 ? 122 HOH Z O 1 HETATM 10276 O O . HOH P 5 . ? -31.94497 -24.83764 50.87783 1.000 37.61177 ? 123 HOH Z O 1 HETATM 10277 O O . HOH P 5 . ? -14.42851 -38.22910 43.88966 1.000 29.15758 ? 124 HOH Z O 1 HETATM 10278 O O . HOH P 5 . ? -27.37924 -28.71528 48.94651 1.000 30.23308 ? 125 HOH Z O 1 HETATM 10279 O O . HOH P 5 . ? -8.21480 -35.52987 44.69723 1.000 39.88024 ? 126 HOH Z O 1 HETATM 10280 O O . HOH P 5 . ? -24.02363 -33.62812 45.63671 1.000 14.93303 ? 127 HOH Z O 1 HETATM 10281 O O . HOH P 5 . ? -14.71636 -26.32542 56.47766 1.000 38.12725 ? 128 HOH Z O 1 HETATM 10282 O O . HOH P 5 . ? -10.30007 -28.15397 55.78312 1.000 26.99632 ? 129 HOH Z O 1 HETATM 10283 O O . HOH P 5 . ? -20.50600 -29.44102 57.18244 1.000 41.10382 ? 130 HOH Z O 1 HETATM 10284 O O . HOH P 5 . ? -11.59859 -37.75609 43.94976 1.000 41.23954 ? 131 HOH Z O 1 HETATM 10285 O O . HOH P 5 . ? -28.94064 -32.38013 27.82976 1.000 28.60258 ? 132 HOH Z O 1 HETATM 10286 O O . HOH P 5 . ? -16.46310 -28.93383 58.76022 1.000 35.11609 ? 133 HOH Z O 1 HETATM 10287 O O . HOH P 5 . ? -15.92538 -34.52674 26.59744 1.000 22.63206 ? 134 HOH Z O 1 HETATM 10288 O O . HOH P 5 . ? -24.78596 -28.67892 49.32641 1.000 21.38541 ? 135 HOH Z O 1 HETATM 10289 O O . HOH P 5 . ? -9.10522 -26.42625 27.49348 1.000 54.27787 ? 136 HOH Z O 1 HETATM 10290 O O . HOH P 5 . ? -25.29853 -47.82329 50.21137 1.000 21.52996 ? 137 HOH Z O 1 HETATM 10291 O O . HOH P 5 . ? -15.86228 -33.06864 59.45214 1.000 41.85173 ? 138 HOH Z O 1 HETATM 10292 O O . HOH P 5 . ? -20.822 -24.028 51.043 1.000 18.15516 ? 139 HOH Z O 1 HETATM 10293 O O . HOH P 5 . ? -5.98461 -27.99582 50.07689 1.000 28.65800 ? 140 HOH Z O 1 HETATM 10294 O O . HOH P 5 . ? -22.63798 -36.51960 29.16636 1.000 16.83649 ? 141 HOH Z O 1 HETATM 10295 O O . HOH P 5 . ? -17.00701 -40.12227 30.51355 1.000 40.61851 ? 142 HOH Z O 1 HETATM 10296 O O . HOH P 5 . ? -10.78419 -25.67730 53.70104 1.000 35.57155 ? 143 HOH Z O 1 HETATM 10297 O O . HOH P 5 . ? -14.49062 -27.26819 19.66267 1.000 42.94667 ? 144 HOH Z O 1 HETATM 10298 O O . HOH P 5 . ? -33.25454 -31.99492 42.73984 1.000 36.42290 ? 145 HOH Z O 1 HETATM 10299 O O . HOH P 5 . ? -15.40984 -21.85986 42.54745 1.000 26.68565 ? 146 HOH Z O 1 HETATM 10300 O O . HOH P 5 . ? -9.85695 -36.22540 57.75240 1.000 48.18901 ? 147 HOH Z O 1 HETATM 10301 O O . HOH P 5 . ? -30.24362 -37.52298 23.18518 1.000 38.41954 ? 148 HOH Z O 1 HETATM 10302 O O . HOH P 5 . ? -20.68458 -43.10655 41.00895 1.000 52.10876 ? 149 HOH Z O 1 HETATM 10303 O O . HOH P 5 . ? -12.11632 -37.19283 46.61545 1.000 28.06682 ? 150 HOH Z O 1 HETATM 10304 O O . HOH P 5 . ? -24.66895 -35.77692 23.29900 1.000 21.42760 ? 151 HOH Z O 1 HETATM 10305 O O . HOH P 5 . ? -14.03772 -30.51248 58.27049 1.000 30.45322 ? 152 HOH Z O 1 HETATM 10306 O O . HOH P 5 . ? -17.32302 -24.17960 55.64108 1.000 30.83455 ? 153 HOH Z O 1 HETATM 10307 O O . HOH P 5 . ? -12.93715 -20.95081 53.29191 1.000 45.02796 ? 154 HOH Z O 1 HETATM 10308 O O . HOH P 5 . ? -6.54580 -36.99343 46.38833 1.000 55.22685 ? 155 HOH Z O 1 HETATM 10309 O O . HOH P 5 . ? -19.68392 -24.83671 37.85359 1.000 47.62645 ? 156 HOH Z O 1 HETATM 10310 O O . HOH P 5 . ? -11.60841 -27.16104 25.63294 1.000 45.53436 ? 157 HOH Z O 1 HETATM 10311 O O . HOH P 5 . ? -22.56522 -35.95880 46.37910 1.000 15.41559 ? 158 HOH Z O 1 HETATM 10312 O O . HOH P 5 . ? -4.68368 -26.38191 51.86842 1.000 43.07246 ? 159 HOH Z O 1 HETATM 10313 O O . HOH P 5 . ? -10.722 -19.674 49.239 1.000 78.31935 ? 160 HOH Z O 1 HETATM 10314 O O . HOH P 5 . ? -11.83984 -22.97849 40.81456 1.000 25.54094 ? 161 HOH Z O 1 HETATM 10315 O O . HOH P 5 . ? -10.22134 -31.79054 55.31984 1.000 33.36906 ? 162 HOH Z O 1 HETATM 10316 O O . HOH P 5 . ? -5.40003 -25.11826 44.15232 1.000 34.30999 ? 163 HOH Z O 1 HETATM 10317 O O . HOH P 5 . ? -14.27326 -39.06128 47.63820 1.000 31.53136 ? 164 HOH Z O 1 HETATM 10318 O O . HOH P 5 . ? -13.61830 -26.57264 27.52970 1.000 61.81085 ? 165 HOH Z O 1 HETATM 10319 O O . HOH P 5 . ? -21.97496 -27.27065 32.20898 1.000 58.47237 ? 166 HOH Z O 1 HETATM 10320 O O . HOH P 5 . ? -10.75828 -36.02626 34.52111 1.000 58.98743 ? 167 HOH Z O 1 HETATM 10321 O O . HOH P 5 . ? -33.02980 -33.34943 35.33313 1.000 21.84969 ? 168 HOH Z O 1 HETATM 10322 O O . HOH P 5 . ? -12.68839 -24.99920 33.92600 1.000 32.66744 ? 169 HOH Z O 1 HETATM 10323 O O . HOH P 5 . ? -28.72255 -27.61322 38.74101 1.000 46.54434 ? 170 HOH Z O 1 HETATM 10324 O O . HOH P 5 . ? -4.64669 -32.65859 44.87376 1.000 43.74213 ? 171 HOH Z O 1 HETATM 10325 O O . HOH P 5 . ? -12.40932 -37.05714 29.18161 1.000 56.46988 ? 172 HOH Z O 1 HETATM 10326 O O . HOH P 5 . ? -6.98986 -27.92691 28.58613 1.000 64.27995 ? 173 HOH Z O 1 HETATM 10327 O O . HOH P 5 . ? -20.28386 -26.99103 27.47734 1.000 46.32235 ? 174 HOH Z O 1 HETATM 10328 O O . HOH P 5 . ? -17.12490 -27.74121 36.88627 1.000 36.73196 ? 175 HOH Z O 1 HETATM 10329 O O . HOH P 5 . ? -5.08740 -32.85574 37.83087 1.000 47.15171 ? 176 HOH Z O 1 HETATM 10330 O O . HOH P 5 . ? -26.38740 -26.99979 38.43463 1.000 52.17653 ? 177 HOH Z O 1 HETATM 10331 O O . HOH P 5 . ? -13.25419 -34.17831 28.37796 1.000 44.17022 ? 178 HOH Z O 1 HETATM 10332 O O . HOH P 5 . ? -17.136 -45.063 42.588 1.000 48.93075 ? 179 HOH Z O 1 HETATM 10333 O O . HOH P 5 . ? -31.80871 -35.06332 45.31920 1.000 48.40531 ? 180 HOH Z O 1 HETATM 10334 O O . HOH P 5 . ? -5.53308 -34.49913 46.06701 1.000 41.95975 ? 181 HOH Z O 1 HETATM 10335 O O . HOH P 5 . ? -18.20108 -25.35079 35.93770 1.000 38.76519 ? 182 HOH Z O 1 HETATM 10336 O O . HOH P 5 . ? -20.88420 -44.12845 42.50791 1.000 52.20731 ? 183 HOH Z O 1 HETATM 10337 O O . HOH P 5 . ? -16.76691 -23.62641 35.01675 1.000 53.83073 ? 184 HOH Z O 1 HETATM 10338 O O . HOH P 5 . ? -2.125 -32.224 56.442 1.000 29.57402 ? 185 HOH Z O 1 HETATM 10339 O O . HOH P 5 . ? -13.45193 -24.87340 55.58396 1.000 62.95675 ? 186 HOH Z O 1 HETATM 10340 O O . HOH P 5 . ? -32.10718 -27.35473 42.19355 1.000 39.19028 ? 187 HOH Z O 1 HETATM 10341 O O . HOH P 5 . ? -25.81646 -39.12222 20.33861 1.000 57.76316 ? 188 HOH Z O 1 HETATM 10342 O O . HOH P 5 . ? -10.548 -23.010 45.801 1.000 42.39309 ? 189 HOH Z O 1 HETATM 10343 O O . HOH P 5 . ? -1.438 -35.270 55.598 1.000 46.60668 ? 190 HOH Z O 1 HETATM 10344 O O . HOH P 5 . ? -20.157 -46.108 43.986 1.000 49.95638 ? 191 HOH Z O 1 HETATM 10345 O O . HOH P 5 . ? -26.064 -30.744 51.357 1.000 32.60963 ? 192 HOH Z O 1 HETATM 10346 O O . HOH P 5 . ? -28.020 -36.665 50.676 1.000 18.73885 ? 193 HOH Z O 1 HETATM 10347 O O . HOH P 5 . ? -20.57838 -44.11984 27.30193 1.000 62.90885 ? 194 HOH Z O 1 HETATM 10348 O O . HOH P 5 . ? -18.84481 -43.59934 28.11816 1.000 60.68770 ? 195 HOH Z O 1 HETATM 10349 O O . HOH P 5 . ? -13.62699 -40.70811 55.18831 1.000 36.64649 ? 196 HOH Z O 1 HETATM 10350 O O . HOH P 5 . ? -24.687 -33.510 52.099 1.000 27.40285 ? 197 HOH Z O 1 HETATM 10351 O O . HOH P 5 . ? -10.37860 -27.71914 23.03289 1.000 60.10538 ? 198 HOH Z O 1 HETATM 10352 O O . HOH P 5 . ? -9.98654 -23.43187 39.29904 1.000 59.93490 ? 199 HOH Z O 1 HETATM 10353 O O . HOH P 5 . ? -13.58298 -20.93433 40.57956 1.000 30.12156 ? 200 HOH Z O 1 HETATM 10354 O O . HOH P 5 . ? -17.06428 -28.00002 26.11892 1.000 59.24574 ? 201 HOH Z O 1 HETATM 10355 O O . HOH P 5 . ? -19.09588 -30.68960 24.98019 1.000 28.50250 ? 202 HOH Z O 1 HETATM 10356 O O . HOH P 5 . ? -14.85067 -41.33616 49.09610 1.000 50.56106 ? 203 HOH Z O 1 HETATM 10357 O O . HOH P 5 . ? -14.366 -20.188 55.335 1.000 53.23096 ? 204 HOH Z O 1 HETATM 10358 O O . HOH P 5 . ? -17.77519 -31.45942 60.12312 1.000 44.88671 ? 205 HOH Z O 1 HETATM 10359 O O . HOH P 5 . ? -21.67826 -26.25660 25.55968 1.000 50.79612 ? 206 HOH Z O 1 HETATM 10360 O O . HOH P 5 . ? -14.25047 -20.58561 38.09199 1.000 46.38727 ? 207 HOH Z O 1 HETATM 10361 O O . HOH P 5 . ? -16.97827 -20.87277 37.28064 1.000 50.64471 ? 208 HOH Z O 1 HETATM 10362 O O . HOH Q 5 . ? -34.16434 -61.48631 40.11823 1.000 45.54745 ? 201 HOH I O 1 HETATM 10363 O O . HOH Q 5 . ? -56.98406 -45.28692 39.62715 1.000 76.35378 ? 202 HOH I O 1 HETATM 10364 O O . HOH Q 5 . ? -36.36028 -55.08445 51.06516 1.000 55.89843 ? 203 HOH I O 1 HETATM 10365 O O . HOH Q 5 . ? -30.21783 -36.83620 45.31023 1.000 33.38962 ? 204 HOH I O 1 HETATM 10366 O O . HOH Q 5 . ? -36.86895 -62.75383 34.20265 1.000 39.92999 ? 205 HOH I O 1 HETATM 10367 O O . HOH Q 5 . ? -63.56233 -53.83925 40.18334 1.000 30.88042 ? 206 HOH I O 1 HETATM 10368 O O . HOH Q 5 . ? -44.74360 -41.00901 48.25759 1.000 27.12669 ? 207 HOH I O 1 HETATM 10369 O O . HOH Q 5 . ? -28.19285 -30.23585 31.32463 1.000 28.56502 ? 208 HOH I O 1 HETATM 10370 O O . HOH Q 5 . ? -50.12482 -57.03132 30.56934 1.000 28.34844 ? 209 HOH I O 1 HETATM 10371 O O . HOH Q 5 . ? -56.34150 -41.04175 40.68747 1.000 53.28079 ? 210 HOH I O 1 HETATM 10372 O O . HOH Q 5 . ? -36.10343 -42.46518 26.25296 1.000 21.87750 ? 211 HOH I O 1 HETATM 10373 O O . HOH Q 5 . ? -18.30740 -41.60351 34.41234 1.000 27.21695 ? 212 HOH I O 1 HETATM 10374 O O . HOH Q 5 . ? -50.29299 -42.29511 31.60951 1.000 35.73505 ? 213 HOH I O 1 HETATM 10375 O O . HOH Q 5 . ? -30.58014 -33.07815 29.85006 1.000 24.63244 ? 214 HOH I O 1 HETATM 10376 O O . HOH Q 5 . ? -55.16598 -47.18253 50.58527 1.000 25.20640 ? 215 HOH I O 1 HETATM 10377 O O . HOH Q 5 . ? -63.72070 -51.37941 50.20973 1.000 45.09583 ? 216 HOH I O 1 HETATM 10378 O O . HOH Q 5 . ? -56.33979 -60.42491 48.96954 1.000 40.46794 ? 217 HOH I O 1 HETATM 10379 O O . HOH Q 5 . ? -30.80196 -44.75977 47.87759 1.000 26.43482 ? 218 HOH I O 1 HETATM 10380 O O . HOH Q 5 . ? -50.78534 -47.80186 52.01126 1.000 27.53315 ? 219 HOH I O 1 HETATM 10381 O O . HOH Q 5 . ? -40.78404 -40.81344 46.57850 1.000 23.63995 ? 220 HOH I O 1 HETATM 10382 O O . HOH Q 5 . ? -47.86957 -42.06112 32.36969 1.000 38.56104 ? 221 HOH I O 1 HETATM 10383 O O . HOH Q 5 . ? -53.11792 -49.20681 30.59774 1.000 26.66831 ? 222 HOH I O 1 HETATM 10384 O O . HOH Q 5 . ? -38.95672 -42.77155 47.11967 1.000 33.69901 ? 223 HOH I O 1 HETATM 10385 O O . HOH Q 5 . ? -43.89738 -47.35460 49.95877 1.000 30.01275 ? 224 HOH I O 1 HETATM 10386 O O . HOH Q 5 . ? -65.59116 -55.60581 46.39489 1.000 27.08224 ? 225 HOH I O 1 HETATM 10387 O O . HOH Q 5 . ? -63.74683 -50.68739 42.73218 1.000 32.32324 ? 226 HOH I O 1 HETATM 10388 O O . HOH Q 5 . ? -27.910 -47.042 50.876 1.000 23.15529 ? 227 HOH I O 1 HETATM 10389 O O . HOH Q 5 . ? -52.58569 -54.89138 26.16321 1.000 26.46835 ? 228 HOH I O 1 HETATM 10390 O O . HOH Q 5 . ? -61.45650 -54.71299 38.20644 1.000 26.50424 ? 229 HOH I O 1 HETATM 10391 O O . HOH Q 5 . ? -47.44371 -58.46074 44.51993 1.000 24.92954 ? 230 HOH I O 1 HETATM 10392 O O . HOH Q 5 . ? -36.72345 -47.39552 33.59419 1.000 18.96133 ? 231 HOH I O 1 HETATM 10393 O O . HOH Q 5 . ? -58.45290 -51.43638 34.76460 1.000 27.66775 ? 232 HOH I O 1 HETATM 10394 O O . HOH Q 5 . ? -40.16497 -36.68815 43.03691 1.000 48.52405 ? 233 HOH I O 1 HETATM 10395 O O . HOH Q 5 . ? -14.89158 -40.26215 37.01047 1.000 24.78681 ? 234 HOH I O 1 HETATM 10396 O O . HOH Q 5 . ? -46.91989 -60.24192 31.01049 1.000 29.28602 ? 235 HOH I O 1 HETATM 10397 O O . HOH Q 5 . ? -24.94177 -30.11968 34.39110 1.000 25.23774 ? 236 HOH I O 1 HETATM 10398 O O . HOH Q 5 . ? -44.48776 -61.56500 31.54646 1.000 31.90639 ? 237 HOH I O 1 HETATM 10399 O O . HOH Q 5 . ? -33.77484 -43.03396 34.21132 1.000 17.62779 ? 238 HOH I O 1 HETATM 10400 O O . HOH Q 5 . ? -46.56444 -61.84011 39.35909 1.000 26.23702 ? 239 HOH I O 1 HETATM 10401 O O . HOH Q 5 . ? -40.30500 -49.40607 50.75421 1.000 26.54008 ? 240 HOH I O 1 HETATM 10402 O O . HOH Q 5 . ? -35.41975 -55.16816 25.97511 1.000 26.60167 ? 241 HOH I O 1 HETATM 10403 O O . HOH Q 5 . ? -27.70743 -48.77949 44.26827 1.000 46.32936 ? 242 HOH I O 1 HETATM 10404 O O . HOH Q 5 . ? -29.26433 -46.30872 41.25495 1.000 29.87701 ? 243 HOH I O 1 HETATM 10405 O O . HOH Q 5 . ? -26.23642 -55.12717 33.71764 1.000 55.07806 ? 244 HOH I O 1 HETATM 10406 O O . HOH Q 5 . ? -52.81269 -56.19213 31.18975 1.000 27.97990 ? 245 HOH I O 1 HETATM 10407 O O . HOH Q 5 . ? -23.60246 -45.02749 32.51661 1.000 29.91304 ? 246 HOH I O 1 HETATM 10408 O O . HOH Q 5 . ? -42.78174 -48.22416 47.60334 1.000 21.47608 ? 247 HOH I O 1 HETATM 10409 O O . HOH Q 5 . ? -27.27601 -47.24601 24.00619 1.000 30.95209 ? 248 HOH I O 1 HETATM 10410 O O . HOH Q 5 . ? -27.99210 -29.95116 34.95485 1.000 33.79236 ? 249 HOH I O 1 HETATM 10411 O O . HOH Q 5 . ? -22.63400 -44.26605 29.92952 1.000 33.75742 ? 250 HOH I O 1 HETATM 10412 O O . HOH Q 5 . ? -55.06543 -60.20976 40.42028 1.000 22.64703 ? 251 HOH I O 1 HETATM 10413 O O . HOH Q 5 . ? -29.42462 -55.01755 27.90989 1.000 32.61899 ? 252 HOH I O 1 HETATM 10414 O O . HOH Q 5 . ? -36.06918 -41.89825 46.40732 1.000 51.31565 ? 253 HOH I O 1 HETATM 10415 O O . HOH Q 5 . ? -31.58740 -50.27115 39.95813 1.000 57.07942 ? 254 HOH I O 1 HETATM 10416 O O . HOH Q 5 . ? -26.77977 -51.58624 30.65434 1.000 38.43705 ? 255 HOH I O 1 HETATM 10417 O O . HOH Q 5 . ? -36.21960 -60.15433 33.88673 1.000 24.72264 ? 256 HOH I O 1 HETATM 10418 O O . HOH Q 5 . ? -36.07393 -45.83247 31.48409 1.000 18.84045 ? 257 HOH I O 1 HETATM 10419 O O . HOH Q 5 . ? -44.64197 -49.48996 52.85052 1.000 29.49226 ? 258 HOH I O 1 HETATM 10420 O O . HOH Q 5 . ? -32.39040 -47.66943 51.14781 1.000 49.95607 ? 259 HOH I O 1 HETATM 10421 O O . HOH Q 5 . ? -43.39367 -64.34649 42.21963 1.000 48.63956 ? 260 HOH I O 1 HETATM 10422 O O . HOH Q 5 . ? -43.33512 -58.44129 48.04967 1.000 44.75984 ? 261 HOH I O 1 HETATM 10423 O O . HOH Q 5 . ? -38.81201 -62.42765 35.70675 1.000 32.90796 ? 262 HOH I O 1 HETATM 10424 O O . HOH Q 5 . ? -45.29803 -63.16347 45.88961 1.000 38.53655 ? 263 HOH I O 1 HETATM 10425 O O . HOH Q 5 . ? -30.43101 -46.83120 34.45646 1.000 15.97765 ? 264 HOH I O 1 HETATM 10426 O O . HOH Q 5 . ? -49.25818 -61.67598 38.28435 1.000 31.28353 ? 265 HOH I O 1 HETATM 10427 O O . HOH Q 5 . ? -39.90526 -60.11690 44.23645 1.000 40.50117 ? 266 HOH I O 1 HETATM 10428 O O . HOH Q 5 . ? -43.18587 -37.20339 45.75743 1.000 29.03444 ? 267 HOH I O 1 HETATM 10429 O O . HOH Q 5 . ? -14.76171 -40.07199 42.15215 1.000 34.04330 ? 268 HOH I O 1 HETATM 10430 O O . HOH Q 5 . ? -19.16762 -44.88813 39.82912 1.000 33.77895 ? 269 HOH I O 1 HETATM 10431 O O . HOH Q 5 . ? -56.09185 -45.07316 37.84094 1.000 33.65867 ? 270 HOH I O 1 HETATM 10432 O O . HOH Q 5 . ? -53.55136 -40.74983 41.47941 1.000 35.37813 ? 271 HOH I O 1 HETATM 10433 O O . HOH Q 5 . ? -47.19918 -42.96252 30.53520 1.000 37.15168 ? 272 HOH I O 1 HETATM 10434 O O . HOH Q 5 . ? -53.76758 -63.11434 45.14357 1.000 44.30837 ? 273 HOH I O 1 HETATM 10435 O O . HOH Q 5 . ? -54.59449 -54.19224 51.96497 1.000 49.53631 ? 274 HOH I O 1 HETATM 10436 O O . HOH Q 5 . ? -23.31305 -47.06543 34.34953 1.000 38.99411 ? 275 HOH I O 1 HETATM 10437 O O . HOH Q 5 . ? -58.19237 -58.79522 36.52986 1.000 39.88325 ? 276 HOH I O 1 HETATM 10438 O O . HOH Q 5 . ? -32.84030 -37.89266 23.48356 1.000 25.12428 ? 277 HOH I O 1 HETATM 10439 O O . HOH Q 5 . ? -37.61640 -35.90157 36.98764 1.000 48.64738 ? 278 HOH I O 1 HETATM 10440 O O . HOH Q 5 . ? -27.82575 -49.96780 24.74082 1.000 33.94996 ? 279 HOH I O 1 HETATM 10441 O O . HOH Q 5 . ? -39.42011 -60.75705 31.69689 1.000 47.78236 ? 280 HOH I O 1 HETATM 10442 O O . HOH Q 5 . ? -36.58339 -58.77765 48.67228 1.000 54.38991 ? 281 HOH I O 1 HETATM 10443 O O . HOH Q 5 . ? -30.55973 -53.79455 38.22886 1.000 63.53339 ? 282 HOH I O 1 HETATM 10444 O O . HOH Q 5 . ? -25.20998 -48.29324 31.29517 1.000 26.61658 ? 283 HOH I O 1 HETATM 10445 O O . HOH Q 5 . ? -36.46718 -58.41165 29.92964 1.000 26.51138 ? 284 HOH I O 1 HETATM 10446 O O . HOH Q 5 . ? -60.61602 -50.57187 51.89225 1.000 42.87534 ? 285 HOH I O 1 HETATM 10447 O O . HOH Q 5 . ? -53.96256 -42.41659 48.66492 1.000 30.14082 ? 286 HOH I O 1 HETATM 10448 O O . HOH Q 5 . ? -28.53364 -57.54270 47.68553 1.000 55.51860 ? 287 HOH I O 1 HETATM 10449 O O . HOH Q 5 . ? -53.36631 -56.59362 28.30923 1.000 29.86464 ? 288 HOH I O 1 HETATM 10450 O O . HOH Q 5 . ? -57.88851 -55.69239 50.26291 1.000 35.09941 ? 289 HOH I O 1 HETATM 10451 O O . HOH Q 5 . ? -41.45293 -36.43123 40.33047 1.000 31.64791 ? 290 HOH I O 1 HETATM 10452 O O . HOH Q 5 . ? -25.98186 -48.77208 28.39886 1.000 33.96833 ? 291 HOH I O 1 HETATM 10453 O O . HOH Q 5 . ? -66.09552 -49.19514 39.81852 1.000 39.76590 ? 292 HOH I O 1 HETATM 10454 O O . HOH Q 5 . ? -42.05992 -53.52338 52.30402 1.000 35.88993 ? 293 HOH I O 1 HETATM 10455 O O . HOH Q 5 . ? -21.91748 -43.47624 34.01141 1.000 29.69502 ? 294 HOH I O 1 HETATM 10456 O O . HOH Q 5 . ? -30.49536 -54.33129 25.16043 1.000 43.02489 ? 295 HOH I O 1 HETATM 10457 O O . HOH Q 5 . ? -33.27412 -34.16435 31.07300 1.000 56.31167 ? 296 HOH I O 1 HETATM 10458 O O . HOH Q 5 . ? -67.60878 -50.45730 41.25148 1.000 46.17014 ? 297 HOH I O 1 HETATM 10459 O O . HOH Q 5 . ? -53.62065 -60.14850 47.47807 1.000 48.64495 ? 298 HOH I O 1 HETATM 10460 O O . HOH Q 5 . ? -36.34099 -45.69023 48.43951 1.000 29.54499 ? 299 HOH I O 1 HETATM 10461 O O . HOH Q 5 . ? -43.95720 -55.94683 48.55507 1.000 40.11182 ? 300 HOH I O 1 HETATM 10462 O O . HOH Q 5 . ? -33.33244 -45.89886 47.05609 1.000 30.81968 ? 301 HOH I O 1 HETATM 10463 O O . HOH Q 5 . ? -26.55744 -52.20498 26.55290 1.000 35.64617 ? 302 HOH I O 1 HETATM 10464 O O . HOH Q 5 . ? -54.71357 -42.30431 38.95998 1.000 36.84794 ? 303 HOH I O 1 HETATM 10465 O O . HOH Q 5 . ? -48.74789 -65.13474 41.59744 1.000 41.56844 ? 304 HOH I O 1 HETATM 10466 O O . HOH Q 5 . ? -45.34913 -64.40770 38.63287 1.000 35.31606 ? 305 HOH I O 1 HETATM 10467 O O . HOH Q 5 . ? -62.16778 -46.69097 38.84764 1.000 32.53595 ? 306 HOH I O 1 HETATM 10468 O O . HOH Q 5 . ? -53.97667 -47.28520 26.72108 1.000 46.17490 ? 307 HOH I O 1 HETATM 10469 O O . HOH Q 5 . ? -31.79115 -30.12439 32.43339 1.000 46.87414 ? 308 HOH I O 1 HETATM 10470 O O . HOH Q 5 . ? -54.42404 -51.84539 52.55107 1.000 31.96655 ? 309 HOH I O 1 HETATM 10471 O O . HOH Q 5 . ? -49.75965 -55.67949 49.12637 1.000 31.94411 ? 310 HOH I O 1 HETATM 10472 O O . HOH Q 5 . ? -20.12132 -42.21155 32.46662 1.000 34.33166 ? 311 HOH I O 1 HETATM 10473 O O . HOH Q 5 . ? -17.70664 -48.18052 37.84103 1.000 42.29140 ? 312 HOH I O 1 HETATM 10474 O O . HOH Q 5 . ? -50.62734 -64.89161 43.53479 1.000 47.88154 ? 313 HOH I O 1 HETATM 10475 O O . HOH Q 5 . ? -54.85257 -38.25805 38.19073 1.000 51.55871 ? 314 HOH I O 1 HETATM 10476 O O . HOH Q 5 . ? -56.97772 -44.93659 35.19017 1.000 41.14305 ? 315 HOH I O 1 HETATM 10477 O O . HOH Q 5 . ? -37.66231 -38.48215 45.93218 1.000 46.59018 ? 316 HOH I O 1 HETATM 10478 O O . HOH Q 5 . ? -61.78117 -46.14726 45.83087 1.000 52.08989 ? 317 HOH I O 1 HETATM 10479 O O . HOH Q 5 . ? -63.89717 -47.72298 41.18790 1.000 35.24808 ? 318 HOH I O 1 HETATM 10480 O O . HOH Q 5 . ? -61.43998 -58.43610 47.17655 1.000 47.27202 ? 319 HOH I O 1 HETATM 10481 O O . HOH Q 5 . ? -39.21903 -35.91920 38.61110 1.000 47.25982 ? 320 HOH I O 1 HETATM 10482 O O . HOH Q 5 . ? -52.76089 -37.67997 41.16886 1.000 73.38410 ? 321 HOH I O 1 HETATM 10483 O O . HOH Q 5 . ? -48.08086 -61.37851 35.16360 1.000 52.41914 ? 322 HOH I O 1 HETATM 10484 O O . HOH Q 5 . ? -54.55684 -39.99063 47.70107 1.000 45.55584 ? 323 HOH I O 1 HETATM 10485 O O . HOH Q 5 . ? -29.59276 -59.45311 47.47854 1.000 54.13901 ? 324 HOH I O 1 HETATM 10486 O O . HOH Q 5 . ? -49.40314 -51.67486 51.20748 1.000 38.77823 ? 325 HOH I O 1 HETATM 10487 O O . HOH Q 5 . ? -20.04642 -44.55612 30.97278 1.000 43.53045 ? 326 HOH I O 1 HETATM 10488 O O . HOH Q 5 . ? -43.47138 -34.75693 38.37031 1.000 48.75233 ? 327 HOH I O 1 HETATM 10489 O O . HOH Q 5 . ? -54.27658 -38.12832 45.47610 1.000 54.97588 ? 328 HOH I O 1 HETATM 10490 O O . HOH Q 5 . ? -23.22676 -49.08997 35.19451 1.000 59.50670 ? 329 HOH I O 1 HETATM 10491 O O . HOH Q 5 . ? -45.97543 -45.91539 53.28966 1.000 38.40357 ? 330 HOH I O 1 HETATM 10492 O O . HOH Q 5 . ? -26.894 -51.931 50.723 1.000 56.81304 ? 331 HOH I O 1 HETATM 10493 O O . HOH Q 5 . ? -57.17029 -40.79849 46.21685 1.000 52.12977 ? 332 HOH I O 1 HETATM 10494 O O . HOH Q 5 . ? -46.28110 -33.50846 46.27620 1.000 40.38969 ? 333 HOH I O 1 HETATM 10495 O O . HOH Q 5 . ? -54.70289 -62.04331 47.18432 1.000 47.12206 ? 334 HOH I O 1 HETATM 10496 O O . HOH Q 5 . ? -37.16625 -66.31719 36.57778 1.000 69.51364 ? 335 HOH I O 1 HETATM 10497 O O . HOH Q 5 . ? -49.85276 -59.67266 30.32365 1.000 49.90321 ? 336 HOH I O 1 HETATM 10498 O O . HOH Q 5 . ? -41.64029 -65.81981 39.76407 1.000 60.67926 ? 337 HOH I O 1 HETATM 10499 O O . HOH Q 5 . ? -40.11545 -64.51798 37.00676 1.000 36.80584 ? 338 HOH I O 1 HETATM 10500 O O . HOH Q 5 . ? -58.76471 -61.80375 37.90558 1.000 60.70471 ? 339 HOH I O 1 HETATM 10501 O O . HOH Q 5 . ? -63.22943 -46.88651 48.24011 1.000 51.79507 ? 340 HOH I O 1 HETATM 10502 O O . HOH Q 5 . ? -29.59064 -40.03852 49.01997 1.000 33.61363 ? 341 HOH I O 1 HETATM 10503 O O . HOH Q 5 . ? -21.80923 -41.78758 33.57949 1.000 38.58255 ? 342 HOH I O 1 HETATM 10504 O O . HOH Q 5 . ? -59.00117 -57.57327 28.20068 1.000 51.72008 ? 343 HOH I O 1 HETATM 10505 O O . HOH Q 5 . ? -56.15573 -58.81733 29.82445 1.000 63.60825 ? 344 HOH I O 1 HETATM 10506 O O . HOH Q 5 . ? -41.97354 -47.01460 51.82242 1.000 30.64191 ? 345 HOH I O 1 HETATM 10507 O O . HOH Q 5 . ? -33.27242 -42.49550 49.99164 1.000 41.04665 ? 346 HOH I O 1 HETATM 10508 O O . HOH Q 5 . ? -49.81518 -65.13340 45.82349 1.000 70.44340 ? 347 HOH I O 1 HETATM 10509 O O . HOH Q 5 . ? -45.99309 -59.73470 48.30858 1.000 42.66454 ? 348 HOH I O 1 HETATM 10510 O O . HOH Q 5 . ? -25.10035 -47.37954 26.40330 1.000 44.98624 ? 349 HOH I O 1 HETATM 10511 O O . HOH Q 5 . ? -15.98945 -41.74659 32.95458 1.000 46.53603 ? 350 HOH I O 1 HETATM 10512 O O . HOH Q 5 . ? -13.94698 -41.22887 34.55646 1.000 39.95079 ? 351 HOH I O 1 HETATM 10513 O O . HOH Q 5 . ? -31.691 -38.291 49.926 1.000 52.90253 ? 352 HOH I O 1 HETATM 10514 O O . HOH Q 5 . ? -36.62135 -43.23774 48.09951 1.000 45.47419 ? 353 HOH I O 1 HETATM 10515 O O . HOH Q 5 . ? -29.06550 -29.72342 28.75602 1.000 28.39237 ? 354 HOH I O 1 HETATM 10516 O O . HOH Q 5 . ? -30.560 -42.814 49.482 1.000 37.88198 ? 355 HOH I O 1 HETATM 10517 O O . HOH Q 5 . ? -38.11001 -49.70395 51.78651 1.000 54.29837 ? 356 HOH I O 1 HETATM 10518 O O . HOH Q 5 . ? -47.75647 -52.73531 52.52502 1.000 62.06077 ? 357 HOH I O 1 HETATM 10519 O O . HOH Q 5 . ? -35.24903 -63.48064 42.35777 1.000 52.31314 ? 358 HOH I O 1 HETATM 10520 O O . HOH Q 5 . ? -47.06079 -65.59739 45.67825 1.000 55.41790 ? 359 HOH I O 1 HETATM 10521 O O . HOH Q 5 . ? -52.22008 -45.73785 26.34454 1.000 35.66753 ? 360 HOH I O 1 HETATM 10522 O O . HOH Q 5 . ? -57.613 -63.169 38.998 1.000 38.50940 ? 361 HOH I O 1 HETATM 10523 O O . HOH Q 5 . ? -42.18753 -40.27136 48.98002 1.000 27.60385 ? 362 HOH I O 1 HETATM 10524 O O . HOH Q 5 . ? -32.745 -40.819 51.193 1.000 67.01303 ? 363 HOH I O 1 HETATM 10525 O O . HOH Q 5 . ? -13.600 -42.467 42.562 1.000 40.79762 ? 364 HOH I O 1 HETATM 10526 O O . HOH Q 5 . ? -41.11273 -37.08056 45.71153 1.000 62.09983 ? 365 HOH I O 1 HETATM 10527 O O . HOH Q 5 . ? -28.54772 -27.86318 32.67112 1.000 48.27428 ? 366 HOH I O 1 HETATM 10528 O O . HOH Q 5 . ? -55.285 -62.968 40.167 1.000 27.07471 ? 367 HOH I O 1 HETATM 10529 O O . HOH Q 5 . ? -37.04856 -63.16463 44.09306 1.000 43.07818 ? 368 HOH I O 1 HETATM 10530 O O . HOH Q 5 . ? -54.42936 -58.54433 32.25573 1.000 37.61697 ? 369 HOH I O 1 HETATM 10531 O O . HOH Q 5 . ? -51.43017 -63.20682 36.66398 1.000 42.68554 ? 370 HOH I O 1 HETATM 10532 O O . HOH Q 5 . ? -43.47280 -55.53635 50.94170 1.000 40.62648 ? 371 HOH I O 1 HETATM 10533 O O . HOH Q 5 . ? -31.41213 -29.12046 28.74521 1.000 51.86980 ? 372 HOH I O 1 HETATM 10534 O O . HOH Q 5 . ? -57.02250 -59.32230 34.16322 1.000 48.59157 ? 373 HOH I O 1 HETATM 10535 O O . HOH Q 5 . ? -22.61834 -46.37181 28.12729 1.000 48.68325 ? 374 HOH I O 1 HETATM 10536 O O . HOH Q 5 . ? -41.21679 -65.68316 34.85281 1.000 48.31716 ? 375 HOH I O 1 HETATM 10537 O O . HOH Q 5 . ? -40.569 -42.441 50.323 1.000 34.08201 ? 376 HOH I O 1 HETATM 10538 O O . HOH Q 5 . ? -40.63363 -64.72164 32.81183 1.000 54.92686 ? 377 HOH I O 1 HETATM 10539 O O . HOH Q 5 . ? -53.06535 -60.56241 32.86299 1.000 49.50676 ? 378 HOH I O 1 HETATM 10540 O O . HOH Q 5 . ? -56.07688 -61.99434 34.03991 1.000 55.12515 ? 379 HOH I O 1 HETATM 10541 O O . HOH R 5 . ? -53.61305 -55.42252 21.93597 1.000 44.31163 ? 401 HOH M O 1 HETATM 10542 O O . HOH R 5 . ? -33.53509 -61.34528 9.07912 1.000 61.77895 ? 402 HOH M O 1 HETATM 10543 O O . HOH R 5 . ? -45.47071 -30.62004 24.53044 1.000 38.54444 ? 403 HOH M O 1 HETATM 10544 O O . HOH R 5 . ? -37.44304 -33.48284 14.27731 1.000 29.80393 ? 404 HOH M O 1 HETATM 10545 O O . HOH R 5 . ? -49.89215 -32.23692 22.40784 1.000 34.27792 ? 405 HOH M O 1 HETATM 10546 O O . HOH R 5 . ? -50.21139 -54.99362 24.51442 1.000 23.81183 ? 406 HOH M O 1 HETATM 10547 O O . HOH R 5 . ? -54.976 -70.718 10.952 1.000 42.55863 ? 407 HOH M O 1 HETATM 10548 O O . HOH R 5 . ? -34.21674 -54.02321 7.61453 1.000 34.84296 ? 408 HOH M O 1 HETATM 10549 O O . HOH R 5 . ? -44.66109 -34.47602 35.55408 1.000 32.66444 ? 409 HOH M O 1 HETATM 10550 O O . HOH R 5 . ? -36.55104 -48.22663 8.30289 1.000 25.45920 ? 410 HOH M O 1 HETATM 10551 O O . HOH R 5 . ? -53.84461 -63.64446 12.87447 1.000 48.94280 ? 411 HOH M O 1 HETATM 10552 O O . HOH R 5 . ? -44.86265 -28.91761 30.83159 1.000 51.15338 ? 412 HOH M O 1 HETATM 10553 O O . HOH R 5 . ? -46.91876 -45.52303 8.52935 1.000 32.90510 ? 413 HOH M O 1 HETATM 10554 O O . HOH R 5 . ? -52.28345 -62.84097 3.04596 1.000 35.73016 ? 414 HOH M O 1 HETATM 10555 O O . HOH R 5 . ? -50.48301 -31.88277 16.96383 1.000 46.64732 ? 415 HOH M O 1 HETATM 10556 O O . HOH R 5 . ? -62.08922 -61.77097 -4.59225 1.000 50.91325 ? 416 HOH M O 1 HETATM 10557 O O . HOH R 5 . ? -49.33974 -48.71705 9.94309 1.000 42.69054 ? 417 HOH M O 1 HETATM 10558 O O . HOH R 5 . ? -54.36801 -56.07731 14.21137 1.000 23.06374 ? 418 HOH M O 1 HETATM 10559 O O . HOH R 5 . ? -50.78342 -33.36788 24.86937 1.000 42.76874 ? 419 HOH M O 1 HETATM 10560 O O . HOH R 5 . ? -38.98487 -58.67758 28.63207 1.000 31.87330 ? 420 HOH M O 1 HETATM 10561 O O . HOH R 5 . ? -37.13299 -58.11110 21.04529 1.000 31.37996 ? 421 HOH M O 1 HETATM 10562 O O . HOH R 5 . ? -29.57650 -58.15893 15.10720 1.000 67.99626 ? 422 HOH M O 1 HETATM 10563 O O . HOH R 5 . ? -54.53199 -44.17445 16.88492 1.000 44.20881 ? 423 HOH M O 1 HETATM 10564 O O . HOH R 5 . ? -59.851 -54.591 -1.874 1.000 24.83848 ? 424 HOH M O 1 HETATM 10565 O O . HOH R 5 . ? -39.13590 -33.27687 25.25073 1.000 23.28988 ? 425 HOH M O 1 HETATM 10566 O O . HOH R 5 . ? -33.33619 -46.34309 9.28966 1.000 44.18800 ? 426 HOH M O 1 HETATM 10567 O O . HOH R 5 . ? -33.49176 -38.47278 18.22829 1.000 46.37821 ? 427 HOH M O 1 HETATM 10568 O O . HOH R 5 . ? -50.20929 -43.82396 25.43292 1.000 53.02448 ? 428 HOH M O 1 HETATM 10569 O O . HOH R 5 . ? -44.22177 -35.09919 5.50974 1.000 54.03202 ? 429 HOH M O 1 HETATM 10570 O O . HOH R 5 . ? -38.58632 -53.56058 2.70542 1.000 31.86331 ? 430 HOH M O 1 HETATM 10571 O O . HOH R 5 . ? -38.73250 -47.34521 9.65934 1.000 22.44180 ? 431 HOH M O 1 HETATM 10572 O O . HOH R 5 . ? -45.58098 -31.43320 27.20890 1.000 39.00233 ? 432 HOH M O 1 HETATM 10573 O O . HOH R 5 . ? -51.07210 -60.09071 -0.29187 1.000 50.28692 ? 433 HOH M O 1 HETATM 10574 O O . HOH R 5 . ? -52.54043 -40.83625 20.76712 1.000 43.98040 ? 434 HOH M O 1 HETATM 10575 O O . HOH R 5 . ? -40.01477 -32.47073 13.26093 1.000 34.51698 ? 435 HOH M O 1 HETATM 10576 O O . HOH R 5 . ? -36.51635 -40.36229 24.64674 1.000 20.48059 ? 436 HOH M O 1 HETATM 10577 O O . HOH R 5 . ? -39.54365 -42.47181 8.89757 1.000 28.90530 ? 437 HOH M O 1 HETATM 10578 O O . HOH R 5 . ? -36.32039 -36.65998 8.39420 1.000 42.39628 ? 438 HOH M O 1 HETATM 10579 O O . HOH R 5 . ? -41.55258 -41.87896 10.50901 1.000 28.58754 ? 439 HOH M O 1 HETATM 10580 O O . HOH R 5 . ? -26.01562 -48.82585 19.66547 1.000 30.82487 ? 440 HOH M O 1 HETATM 10581 O O . HOH R 5 . ? -48.04116 -63.67765 1.16584 1.000 37.72465 ? 441 HOH M O 1 HETATM 10582 O O . HOH R 5 . ? -37.85050 -37.92144 35.27649 1.000 33.00673 ? 442 HOH M O 1 HETATM 10583 O O . HOH R 5 . ? -45.81952 -40.61256 31.88179 1.000 26.68553 ? 443 HOH M O 1 HETATM 10584 O O . HOH R 5 . ? -49.83213 -46.94715 25.89919 1.000 22.82690 ? 444 HOH M O 1 HETATM 10585 O O . HOH R 5 . ? -52.65238 -46.93923 19.48575 1.000 22.48320 ? 445 HOH M O 1 HETATM 10586 O O . HOH R 5 . ? -36.87092 -59.18124 4.47431 1.000 35.96497 ? 446 HOH M O 1 HETATM 10587 O O . HOH R 5 . ? -36.87200 -53.06302 7.73950 1.000 24.68961 ? 447 HOH M O 1 HETATM 10588 O O . HOH R 5 . ? -34.865 -55.894 5.166 1.000 35.79204 ? 448 HOH M O 1 HETATM 10589 O O . HOH R 5 . ? -47.42228 -37.96527 10.99574 1.000 41.34278 ? 449 HOH M O 1 HETATM 10590 O O . HOH R 5 . ? -49.75345 -37.43189 18.44116 1.000 27.57555 ? 450 HOH M O 1 HETATM 10591 O O . HOH R 5 . ? -41.06081 -60.01380 22.52301 1.000 24.85692 ? 451 HOH M O 1 HETATM 10592 O O . HOH R 5 . ? -40.62543 -60.85231 27.39637 1.000 39.11403 ? 452 HOH M O 1 HETATM 10593 O O . HOH R 5 . ? -52.05590 -57.10896 1.39684 1.000 42.71852 ? 453 HOH M O 1 HETATM 10594 O O . HOH R 5 . ? -32.85248 -49.64180 12.13533 1.000 21.62341 ? 454 HOH M O 1 HETATM 10595 O O . HOH R 5 . ? -39.04791 -63.35888 5.98302 1.000 41.20555 ? 455 HOH M O 1 HETATM 10596 O O . HOH R 5 . ? -56.69682 -57.66539 11.87293 1.000 30.99980 ? 456 HOH M O 1 HETATM 10597 O O . HOH R 5 . ? -25.98082 -46.55173 21.44192 1.000 36.41090 ? 457 HOH M O 1 HETATM 10598 O O . HOH R 5 . ? -40.66268 -61.21313 15.49854 1.000 40.09945 ? 458 HOH M O 1 HETATM 10599 O O . HOH R 5 . ? -41.92281 -31.03212 26.47276 1.000 47.28584 ? 459 HOH M O 1 HETATM 10600 O O . HOH R 5 . ? -51.53762 -60.10201 16.49061 1.000 46.15079 ? 460 HOH M O 1 HETATM 10601 O O . HOH R 5 . ? -27.21662 -53.10640 19.50275 1.000 40.82808 ? 461 HOH M O 1 HETATM 10602 O O . HOH R 5 . ? -48.98232 -38.84124 26.16156 1.000 27.33858 ? 462 HOH M O 1 HETATM 10603 O O . HOH R 5 . ? -49.53412 -57.86217 23.44197 1.000 40.72560 ? 463 HOH M O 1 HETATM 10604 O O . HOH R 5 . ? -39.07585 -30.16581 20.66445 1.000 38.23225 ? 464 HOH M O 1 HETATM 10605 O O . HOH R 5 . ? -54.41474 -52.60689 19.64596 1.000 43.52183 ? 465 HOH M O 1 HETATM 10606 O O . HOH R 5 . ? -56.381 -46.752 15.736 1.000 29.12410 ? 466 HOH M O 1 HETATM 10607 O O . HOH R 5 . ? -49.59945 -59.15736 22.23240 1.000 44.36418 ? 467 HOH M O 1 HETATM 10608 O O . HOH R 5 . ? -48.73135 -38.46278 33.98725 1.000 31.91358 ? 468 HOH M O 1 HETATM 10609 O O . HOH R 5 . ? -37.86996 -44.97527 15.09050 1.000 20.11043 ? 469 HOH M O 1 HETATM 10610 O O . HOH R 5 . ? -43.08346 -64.62223 5.24668 1.000 40.61676 ? 470 HOH M O 1 HETATM 10611 O O . HOH R 5 . ? -48.73692 -41.94156 13.44930 1.000 29.85337 ? 471 HOH M O 1 HETATM 10612 O O . HOH R 5 . ? -43.03170 -60.05832 24.37573 1.000 23.55820 ? 472 HOH M O 1 HETATM 10613 O O . HOH R 5 . ? -54.17200 -48.05715 23.63982 1.000 50.98357 ? 473 HOH M O 1 HETATM 10614 O O . HOH R 5 . ? -55.982 -71.225 -5.670 1.000 29.75096 ? 474 HOH M O 1 HETATM 10615 O O . HOH R 5 . ? -27.72433 -55.41936 15.90375 1.000 46.35676 ? 475 HOH M O 1 HETATM 10616 O O . HOH R 5 . ? -48.58867 -30.84143 24.44940 1.000 68.23462 ? 476 HOH M O 1 HETATM 10617 O O . HOH R 5 . ? -41.07168 -36.93395 36.91565 1.000 25.65431 ? 477 HOH M O 1 HETATM 10618 O O . HOH R 5 . ? -44.78481 -50.78027 4.35145 1.000 47.24684 ? 478 HOH M O 1 HETATM 10619 O O . HOH R 5 . ? -34.02507 -56.96552 22.82727 1.000 37.41040 ? 479 HOH M O 1 HETATM 10620 O O . HOH R 5 . ? -32.96724 -32.28427 28.87198 1.000 36.65978 ? 480 HOH M O 1 HETATM 10621 O O . HOH R 5 . ? -25.76834 -42.69715 22.03415 1.000 36.46504 ? 481 HOH M O 1 HETATM 10622 O O . HOH R 5 . ? -38.15948 -35.06257 6.87345 1.000 42.01155 ? 482 HOH M O 1 HETATM 10623 O O . HOH R 5 . ? -39.03334 -61.53655 19.23910 1.000 59.61592 ? 483 HOH M O 1 HETATM 10624 O O . HOH R 5 . ? -35.85025 -38.89519 17.46401 1.000 24.38478 ? 484 HOH M O 1 HETATM 10625 O O . HOH R 5 . ? -40.75739 -57.56909 2.42473 1.000 29.57387 ? 485 HOH M O 1 HETATM 10626 O O . HOH R 5 . ? -50.49142 -66.01009 7.13884 1.000 27.10727 ? 486 HOH M O 1 HETATM 10627 O O . HOH R 5 . ? -26.16908 -47.16514 13.33095 1.000 42.87684 ? 487 HOH M O 1 HETATM 10628 O O . HOH R 5 . ? -61.778 -62.754 7.450 1.000 35.43226 ? 488 HOH M O 1 HETATM 10629 O O . HOH R 5 . ? -48.68831 -59.52747 28.10974 1.000 33.37858 ? 489 HOH M O 1 HETATM 10630 O O . HOH R 5 . ? -49.05650 -40.95399 24.01690 1.000 23.78225 ? 490 HOH M O 1 HETATM 10631 O O . HOH R 5 . ? -33.65516 -31.86391 22.55297 1.000 28.73753 ? 491 HOH M O 1 HETATM 10632 O O . HOH R 5 . ? -42.08515 -62.25071 29.29882 1.000 32.81680 ? 492 HOH M O 1 HETATM 10633 O O . HOH R 5 . ? -42.71994 -31.30765 23.73439 1.000 31.03496 ? 493 HOH M O 1 HETATM 10634 O O . HOH R 5 . ? -30.67204 -60.62858 5.78001 1.000 56.88904 ? 494 HOH M O 1 HETATM 10635 O O . HOH R 5 . ? -40.23711 -61.36522 1.51950 1.000 53.22149 ? 495 HOH M O 1 HETATM 10636 O O . HOH R 5 . ? -51.43249 -44.14510 20.03499 1.000 23.60208 ? 496 HOH M O 1 HETATM 10637 O O . HOH R 5 . ? -29.19223 -43.31230 16.41194 1.000 30.36033 ? 497 HOH M O 1 HETATM 10638 O O . HOH R 5 . ? -31.13340 -61.07519 11.24538 1.000 43.29274 ? 498 HOH M O 1 HETATM 10639 O O . HOH R 5 . ? -33.00368 -59.70893 21.25649 1.000 58.78607 ? 499 HOH M O 1 HETATM 10640 O O . HOH R 5 . ? -33.26116 -58.27170 5.99057 1.000 38.52441 ? 500 HOH M O 1 HETATM 10641 O O . HOH R 5 . ? -39.63671 -37.63646 20.24900 1.000 21.06942 ? 501 HOH M O 1 HETATM 10642 O O . HOH R 5 . ? -29.17250 -47.90089 12.13004 1.000 42.29279 ? 502 HOH M O 1 HETATM 10643 O O . HOH R 5 . ? -47.58184 -42.30354 27.97828 1.000 24.62993 ? 503 HOH M O 1 HETATM 10644 O O . HOH R 5 . ? -54.27872 -61.81094 -3.75842 1.000 46.29003 ? 504 HOH M O 1 HETATM 10645 O O . HOH R 5 . ? -28.13133 -42.71407 13.36804 1.000 48.66657 ? 505 HOH M O 1 HETATM 10646 O O . HOH R 5 . ? -51.78411 -62.98570 -0.70645 1.000 51.64974 ? 506 HOH M O 1 HETATM 10647 O O . HOH R 5 . ? -28.23429 -51.36948 14.90140 1.000 33.67232 ? 507 HOH M O 1 HETATM 10648 O O . HOH R 5 . ? -35.29415 -63.01712 9.75848 1.000 39.28759 ? 508 HOH M O 1 HETATM 10649 O O . HOH R 5 . ? -44.67759 -28.22213 18.37244 1.000 52.92278 ? 509 HOH M O 1 HETATM 10650 O O . HOH R 5 . ? -48.02107 -48.33614 6.85855 1.000 51.14794 ? 510 HOH M O 1 HETATM 10651 O O . HOH R 5 . ? -34.17299 -41.97652 10.08536 1.000 31.55765 ? 511 HOH M O 1 HETATM 10652 O O . HOH R 5 . ? -48.18184 -39.52050 28.59466 1.000 27.77866 ? 512 HOH M O 1 HETATM 10653 O O . HOH R 5 . ? -32.05888 -43.92502 10.36073 1.000 35.22899 ? 513 HOH M O 1 HETATM 10654 O O . HOH R 5 . ? -44.35539 -54.65329 0.67257 1.000 32.82066 ? 514 HOH M O 1 HETATM 10655 O O . HOH R 5 . ? -26.65575 -52.38799 17.27579 1.000 62.44289 ? 515 HOH M O 1 HETATM 10656 O O . HOH R 5 . ? -34.03272 -30.20009 20.72858 1.000 41.95280 ? 516 HOH M O 1 HETATM 10657 O O . HOH R 5 . ? -37.04476 -64.08634 11.87216 1.000 40.83719 ? 517 HOH M O 1 HETATM 10658 O O . HOH R 5 . ? -37.43552 -41.30759 7.21476 1.000 41.41142 ? 518 HOH M O 1 HETATM 10659 O O . HOH R 5 . ? -48.80364 -46.31164 10.82998 1.000 30.72374 ? 519 HOH M O 1 HETATM 10660 O O . HOH R 5 . ? -47.15366 -32.91287 14.85496 1.000 52.42454 ? 520 HOH M O 1 HETATM 10661 O O . HOH R 5 . ? -43.77255 -43.95486 7.56275 1.000 65.95698 ? 521 HOH M O 1 HETATM 10662 O O . HOH R 5 . ? -28.86781 -50.30463 13.21816 1.000 49.67169 ? 522 HOH M O 1 HETATM 10663 O O . HOH R 5 . ? -56.66657 -61.24297 -4.52696 1.000 29.71291 ? 523 HOH M O 1 HETATM 10664 O O . HOH R 5 . ? -27.08171 -43.69395 17.93320 1.000 38.45955 ? 524 HOH M O 1 HETATM 10665 O O . HOH R 5 . ? -50.12054 -36.11905 30.27806 1.000 39.11571 ? 525 HOH M O 1 HETATM 10666 O O . HOH R 5 . ? -48.20518 -34.72262 33.19106 1.000 51.14191 ? 526 HOH M O 1 HETATM 10667 O O . HOH R 5 . ? -36.00918 -29.84202 31.51766 1.000 61.51764 ? 527 HOH M O 1 HETATM 10668 O O . HOH R 5 . ? -60.90131 -63.17027 -4.44482 1.000 49.78015 ? 528 HOH M O 1 HETATM 10669 O O . HOH R 5 . ? -55.82428 -60.41670 15.21022 1.000 70.36001 ? 529 HOH M O 1 HETATM 10670 O O . HOH R 5 . ? -50.85871 -59.43134 19.73710 1.000 42.33523 ? 530 HOH M O 1 HETATM 10671 O O . HOH R 5 . ? -32.19905 -40.59124 13.88855 1.000 48.82426 ? 531 HOH M O 1 HETATM 10672 O O . HOH R 5 . ? -47.38811 -53.19619 2.13170 1.000 46.20081 ? 532 HOH M O 1 HETATM 10673 O O . HOH R 5 . ? -49.09236 -29.78461 26.11749 1.000 51.53725 ? 533 HOH M O 1 HETATM 10674 O O . HOH R 5 . ? -42.90896 -41.47194 7.33262 1.000 52.72530 ? 534 HOH M O 1 HETATM 10675 O O . HOH R 5 . ? -47.43462 -65.15457 16.49239 1.000 60.61782 ? 535 HOH M O 1 HETATM 10676 O O . HOH R 5 . ? -30.37129 -61.30693 14.66548 1.000 52.09971 ? 536 HOH M O 1 HETATM 10677 O O . HOH R 5 . ? -42.97483 -31.10583 11.23034 1.000 53.77300 ? 537 HOH M O 1 HETATM 10678 O O . HOH R 5 . ? -39.17932 -60.78547 16.83346 1.000 40.45339 ? 538 HOH M O 1 HETATM 10679 O O . HOH R 5 . ? -44.195 -64.898 2.759 1.000 44.13556 ? 539 HOH M O 1 HETATM 10680 O O . HOH R 5 . ? -46.39502 -64.80031 20.21599 1.000 46.55124 ? 540 HOH M O 1 HETATM 10681 O O . HOH R 5 . ? -54.32137 -55.80336 23.91618 1.000 49.13092 ? 541 HOH M O 1 HETATM 10682 O O . HOH R 5 . ? -42.96876 -28.04947 26.85073 1.000 56.30712 ? 542 HOH M O 1 HETATM 10683 O O . HOH R 5 . ? -49.63129 -43.36258 27.38923 1.000 49.70818 ? 543 HOH M O 1 HETATM 10684 O O . HOH R 5 . ? -41.08282 -62.23926 31.78794 1.000 32.74708 ? 544 HOH M O 1 HETATM 10685 O O . HOH R 5 . ? -35.13597 -32.78441 30.97281 1.000 48.25316 ? 545 HOH M O 1 HETATM 10686 O O . HOH R 5 . ? -33.56333 -32.42078 32.91432 1.000 38.83383 ? 546 HOH M O 1 HETATM 10687 O O . HOH R 5 . ? -56.09095 -54.44305 20.38324 1.000 57.13700 ? 547 HOH M O 1 HETATM 10688 O O . HOH R 5 . ? -44.48854 -64.10980 31.60172 1.000 45.60681 ? 548 HOH M O 1 HETATM 10689 O O . HOH R 5 . ? -51.03948 -37.02449 27.12322 1.000 48.67168 ? 549 HOH M O 1 HETATM 10690 O O . HOH R 5 . ? -39.02723 -29.62062 26.56117 1.000 58.79047 ? 550 HOH M O 1 HETATM 10691 O O . HOH R 5 . ? -56.401 -56.022 16.020 1.000 41.26420 ? 551 HOH M O 1 HETATM 10692 O O . HOH R 5 . ? -45.06384 -29.05055 28.06646 1.000 50.78232 ? 552 HOH M O 1 HETATM 10693 O O . HOH R 5 . ? -35.20966 -32.54970 37.19625 1.000 39.65254 ? 553 HOH M O 1 HETATM 10694 O O . HOH R 5 . ? -51.55747 -41.27217 23.22735 1.000 36.36913 ? 554 HOH M O 1 HETATM 10695 O O . HOH R 5 . ? -37.80805 -59.74968 18.52710 1.000 48.05169 ? 555 HOH M O 1 HETATM 10696 O O . HOH R 5 . ? -37.12636 -38.54661 6.40739 1.000 60.43700 ? 556 HOH M O 1 HETATM 10697 O O . HOH R 5 . ? -50.54141 -61.06068 18.82388 1.000 40.45561 ? 557 HOH M O 1 HETATM 10698 O O . HOH R 5 . ? -32.02501 -52.30026 8.40108 1.000 48.40383 ? 558 HOH M O 1 HETATM 10699 O O . HOH R 5 . ? -48.84532 -60.94147 31.49794 1.000 57.21594 ? 559 HOH M O 1 HETATM 10700 O O . HOH R 5 . ? -35.37095 -30.20375 24.11810 1.000 55.99127 ? 560 HOH M O 1 HETATM 10701 O O . HOH R 5 . ? -24.51266 -44.75121 19.35749 1.000 76.24994 ? 561 HOH M O 1 HETATM 10702 O O . HOH R 5 . ? -51.22419 -40.18236 13.53670 1.000 53.23776 ? 562 HOH M O 1 HETATM 10703 O O . HOH R 5 . ? -33.67241 -30.16891 28.09912 1.000 70.89748 ? 563 HOH M O 1 HETATM 10704 O O . HOH R 5 . ? -41.08677 -44.12694 6.81286 1.000 53.22713 ? 564 HOH M O 1 HETATM 10705 O O . HOH R 5 . ? -50.62003 -64.10475 1.20138 1.000 32.37937 ? 565 HOH M O 1 HETATM 10706 O O . HOH R 5 . ? -51.97578 -29.40912 26.97235 1.000 67.83792 ? 566 HOH M O 1 HETATM 10707 O O . HOH R 5 . ? -40.98425 -33.57647 37.71033 1.000 62.64383 ? 567 HOH M O 1 HETATM 10708 O O . HOH R 5 . ? -39.92857 -62.43560 22.92030 1.000 42.81721 ? 568 HOH M O 1 HETATM 10709 O O . HOH R 5 . ? -25.31233 -44.29465 16.31030 1.000 42.56710 ? 569 HOH M O 1 HETATM 10710 O O . HOH R 5 . ? -40.70919 -29.40707 23.13269 1.000 59.46018 ? 570 HOH M O 1 HETATM 10711 O O . HOH R 5 . ? -50.27622 -58.47171 26.17840 1.000 52.38519 ? 571 HOH M O 1 HETATM 10712 O O . HOH R 5 . ? -31.91982 -48.52478 9.71688 1.000 34.68955 ? 572 HOH M O 1 HETATM 10713 O O . HOH R 5 . ? -28.45599 -55.37918 23.28988 1.000 47.28686 ? 573 HOH M O 1 HETATM 10714 O O . HOH R 5 . ? -38.00634 -58.59265 1.79987 1.000 53.60289 ? 574 HOH M O 1 HETATM 10715 O O . HOH R 5 . ? -37.58192 -33.45493 37.98921 1.000 48.88127 ? 575 HOH M O 1 HETATM 10716 O O . HOH R 5 . ? -52.63918 -43.63519 24.24276 1.000 42.60017 ? 576 HOH M O 1 HETATM 10717 O O . HOH R 5 . ? -37.47312 -47.42942 5.90591 1.000 44.38263 ? 577 HOH M O 1 HETATM 10718 O O . HOH R 5 . ? -32.81707 -55.40754 24.96421 1.000 33.76896 ? 578 HOH M O 1 HETATM 10719 O O . HOH R 5 . ? -57.63497 -58.30320 15.49310 1.000 44.23046 ? 579 HOH M O 1 HETATM 10720 O O . HOH R 5 . ? -43.07299 -56.70140 -0.95370 1.000 46.68322 ? 580 HOH M O 1 HETATM 10721 O O . HOH R 5 . ? -25.53460 -41.89143 19.41073 1.000 53.07585 ? 581 HOH M O 1 HETATM 10722 O O . HOH R 5 . ? -54.56861 -45.82960 20.98479 1.000 44.72663 ? 582 HOH M O 1 HETATM 10723 O O . HOH R 5 . ? -28.19006 -58.97893 12.49792 1.000 56.40678 ? 583 HOH M O 1 HETATM 10724 O O . HOH R 5 . ? -38.35623 -30.58847 24.72623 1.000 43.29988 ? 584 HOH M O 1 HETATM 10725 O O . HOH R 5 . ? -51.50591 -38.11202 14.35025 1.000 42.73739 ? 585 HOH M O 1 HETATM 10726 O O . HOH R 5 . ? -50.63711 -36.05230 16.27256 1.000 41.97696 ? 586 HOH M O 1 HETATM 10727 O O . HOH R 5 . ? -50.46660 -38.42127 32.16484 1.000 41.35175 ? 587 HOH M O 1 HETATM 10728 O O . HOH R 5 . ? -50.49151 -39.70984 30.15546 1.000 41.02789 ? 588 HOH M O 1 HETATM 10729 O O . HOH R 5 . ? -54.54503 -45.38116 23.16025 1.000 55.50816 ? 589 HOH M O 1 HETATM 10730 O O . HOH R 5 . ? -35.40130 -59.93356 21.08660 1.000 53.94711 ? 590 HOH M O 1 HETATM 10731 O O . HOH R 5 . ? -53.49586 -42.83182 20.84282 1.000 42.34277 ? 591 HOH M O 1 HETATM 10732 O O . HOH R 5 . ? -57.02088 -62.42376 13.58339 1.000 49.77765 ? 592 HOH M O 1 HETATM 10733 O O . HOH S 5 . ? 19.76457 -47.91199 16.41864 1.000 54.97346 ? 301 HOH B O 1 HETATM 10734 O O . HOH S 5 . ? -14.58006 -49.54013 12.75672 1.000 42.35408 ? 302 HOH B O 1 HETATM 10735 O O . HOH S 5 . ? -5.57975 -61.12797 17.49004 1.000 45.33415 ? 303 HOH B O 1 HETATM 10736 O O . HOH S 5 . ? -2.04937 -52.03265 -3.61239 1.000 41.56061 ? 304 HOH B O 1 HETATM 10737 O O . HOH S 5 . ? -11.07666 -57.49557 8.90423 1.000 34.76105 ? 305 HOH B O 1 HETATM 10738 O O . HOH S 5 . ? -2.15202 -43.28701 23.21013 1.000 24.61372 ? 306 HOH B O 1 HETATM 10739 O O . HOH S 5 . ? 11.88178 -42.49071 17.35685 1.000 35.81466 ? 307 HOH B O 1 HETATM 10740 O O . HOH S 5 . ? -6.575 -52.617 -5.050 1.000 34.99648 ? 308 HOH B O 1 HETATM 10741 O O . HOH S 5 . ? -20.21078 -42.12142 15.98369 1.000 25.93765 ? 309 HOH B O 1 HETATM 10742 O O . HOH S 5 . ? -21.27296 -45.01683 17.65709 1.000 48.41078 ? 310 HOH B O 1 HETATM 10743 O O . HOH S 5 . ? 4.12930 -63.94883 5.65432 1.000 35.94323 ? 311 HOH B O 1 HETATM 10744 O O . HOH S 5 . ? 12.05142 -57.26618 17.76521 1.000 29.41534 ? 312 HOH B O 1 HETATM 10745 O O . HOH S 5 . ? -3.90931 -40.37485 9.13128 1.000 37.88058 ? 313 HOH B O 1 HETATM 10746 O O . HOH S 5 . ? -9.01837 -44.46155 1.53598 1.000 23.65817 ? 314 HOH B O 1 HETATM 10747 O O . HOH S 5 . ? -10.89321 -56.38225 1.30279 1.000 32.67914 ? 315 HOH B O 1 HETATM 10748 O O . HOH S 5 . ? -13.406 -54.467 2.652 1.000 32.76642 ? 316 HOH B O 1 HETATM 10749 O O . HOH S 5 . ? 4.80815 -46.94303 -1.03860 1.000 27.79817 ? 317 HOH B O 1 HETATM 10750 O O . HOH S 5 . ? 1.493 -40.784 2.737 1.000 19.26731 ? 318 HOH B O 1 HETATM 10751 O O . HOH S 5 . ? 8.37009 -49.20108 -5.04394 1.000 35.62271 ? 319 HOH B O 1 HETATM 10752 O O . HOH S 5 . ? 24.73518 -52.57037 8.56947 1.000 18.50903 ? 320 HOH B O 1 HETATM 10753 O O . HOH S 5 . ? -1.73840 -47.83745 15.72099 1.000 17.87320 ? 321 HOH B O 1 HETATM 10754 O O . HOH S 5 . ? -2.56944 -54.62760 -2.25655 1.000 24.06813 ? 322 HOH B O 1 HETATM 10755 O O . HOH S 5 . ? -1.86410 -59.14242 0.75256 1.000 35.90197 ? 323 HOH B O 1 HETATM 10756 O O . HOH S 5 . ? -2.70048 -56.04415 22.88265 1.000 22.70404 ? 324 HOH B O 1 HETATM 10757 O O . HOH S 5 . ? -15.31065 -47.61519 15.61759 1.000 34.47671 ? 325 HOH B O 1 HETATM 10758 O O . HOH S 5 . ? -7.67570 -55.05755 24.04082 1.000 33.63494 ? 326 HOH B O 1 HETATM 10759 O O . HOH S 5 . ? -8.73900 -60.46662 5.02443 1.000 29.78808 ? 327 HOH B O 1 HETATM 10760 O O . HOH S 5 . ? -0.34707 -42.89579 2.23468 1.000 24.38198 ? 328 HOH B O 1 HETATM 10761 O O . HOH S 5 . ? 9.01513 -58.13013 3.96183 1.000 20.69757 ? 329 HOH B O 1 HETATM 10762 O O . HOH S 5 . ? 14.73519 -49.24681 18.03898 1.000 21.74812 ? 330 HOH B O 1 HETATM 10763 O O . HOH S 5 . ? -10.84622 -30.78523 16.88109 1.000 40.70586 ? 331 HOH B O 1 HETATM 10764 O O . HOH S 5 . ? -4.80199 -43.46495 15.35690 1.000 16.52677 ? 332 HOH B O 1 HETATM 10765 O O . HOH S 5 . ? -10.97286 -48.03460 25.41738 1.000 26.76190 ? 333 HOH B O 1 HETATM 10766 O O . HOH S 5 . ? 16.00192 -46.41005 -1.94889 1.000 23.02328 ? 334 HOH B O 1 HETATM 10767 O O . HOH S 5 . ? -14.59128 -30.87858 14.56273 1.000 44.35950 ? 335 HOH B O 1 HETATM 10768 O O . HOH S 5 . ? 1.19513 -57.05861 -2.08145 1.000 46.20414 ? 336 HOH B O 1 HETATM 10769 O O . HOH S 5 . ? 7.848 -40.295 2.055 1.000 24.79223 ? 337 HOH B O 1 HETATM 10770 O O . HOH S 5 . ? 11.51639 -47.38537 -3.22123 1.000 30.14132 ? 338 HOH B O 1 HETATM 10771 O O . HOH S 5 . ? 23.007 -53.567 10.569 1.000 21.70347 ? 339 HOH B O 1 HETATM 10772 O O . HOH S 5 . ? 16.00722 -46.84136 15.25771 1.000 53.32680 ? 340 HOH B O 1 HETATM 10773 O O . HOH S 5 . ? -1.12446 -63.40591 14.22737 1.000 44.03646 ? 341 HOH B O 1 HETATM 10774 O O . HOH S 5 . ? 5.148 -40.701 0.805 1.000 24.07878 ? 342 HOH B O 1 HETATM 10775 O O . HOH S 5 . ? 0.61181 -62.64680 12.76838 1.000 27.34884 ? 343 HOH B O 1 HETATM 10776 O O . HOH S 5 . ? -8.75451 -55.69273 21.33978 1.000 27.26899 ? 344 HOH B O 1 HETATM 10777 O O . HOH S 5 . ? 18.15721 -47.57697 14.62034 1.000 28.39765 ? 345 HOH B O 1 HETATM 10778 O O . HOH S 5 . ? 11.66487 -63.99935 4.08404 1.000 33.22505 ? 346 HOH B O 1 HETATM 10779 O O . HOH S 5 . ? -5.53875 -40.29312 0.02856 1.000 38.72250 ? 347 HOH B O 1 HETATM 10780 O O . HOH S 5 . ? 8.31347 -61.80068 9.05207 1.000 23.15506 ? 348 HOH B O 1 HETATM 10781 O O . HOH S 5 . ? 6.42664 -62.05292 16.79006 1.000 31.88852 ? 349 HOH B O 1 HETATM 10782 O O . HOH S 5 . ? 14.74666 -55.20201 22.18202 1.000 28.16869 ? 350 HOH B O 1 HETATM 10783 O O . HOH S 5 . ? -1.78956 -60.51688 14.71540 1.000 21.77663 ? 351 HOH B O 1 HETATM 10784 O O . HOH S 5 . ? 18.05348 -44.67433 14.74729 1.000 38.50093 ? 352 HOH B O 1 HETATM 10785 O O . HOH S 5 . ? 9.31041 -42.25230 16.74761 1.000 35.19314 ? 353 HOH B O 1 HETATM 10786 O O . HOH S 5 . ? 6.947 -39.730 5.092 1.000 23.57327 ? 354 HOH B O 1 HETATM 10787 O O . HOH S 5 . ? 24.54624 -49.18916 5.67051 1.000 24.64609 ? 355 HOH B O 1 HETATM 10788 O O . HOH S 5 . ? 27.29368 -53.41109 2.03458 1.000 24.80285 ? 356 HOH B O 1 HETATM 10789 O O . HOH S 5 . ? -14.77130 -59.12145 8.83796 1.000 49.31262 ? 357 HOH B O 1 HETATM 10790 O O . HOH S 5 . ? 8.245 -35.304 2.706 1.000 39.50093 ? 358 HOH B O 1 HETATM 10791 O O . HOH S 5 . ? -9.53792 -49.84400 -1.60926 1.000 24.11692 ? 359 HOH B O 1 HETATM 10792 O O . HOH S 5 . ? 16.75719 -41.07476 16.49462 1.000 56.38345 ? 360 HOH B O 1 HETATM 10793 O O . HOH S 5 . ? -10.61159 -54.46612 10.61726 1.000 35.52696 ? 361 HOH B O 1 HETATM 10794 O O . HOH S 5 . ? 23.077 -49.162 13.394 1.000 23.06768 ? 362 HOH B O 1 HETATM 10795 O O . HOH S 5 . ? 3.77629 -47.99008 1.39525 1.000 19.89721 ? 363 HOH B O 1 HETATM 10796 O O . HOH S 5 . ? 1.17745 -49.24105 -1.68082 1.000 23.66573 ? 364 HOH B O 1 HETATM 10797 O O . HOH S 5 . ? -5.26215 -34.35377 7.25605 1.000 43.28942 ? 365 HOH B O 1 HETATM 10798 O O . HOH S 5 . ? -23.75197 -40.80106 13.57645 1.000 23.20919 ? 366 HOH B O 1 HETATM 10799 O O . HOH S 5 . ? -15.64693 -44.76768 20.21839 1.000 26.10937 ? 367 HOH B O 1 HETATM 10800 O O . HOH S 5 . ? -14.78741 -45.61505 17.66740 1.000 25.92791 ? 368 HOH B O 1 HETATM 10801 O O . HOH S 5 . ? 16.97411 -59.91093 7.68962 1.000 23.49193 ? 369 HOH B O 1 HETATM 10802 O O . HOH S 5 . ? -10.59555 -61.65010 11.46816 1.000 37.65291 ? 370 HOH B O 1 HETATM 10803 O O . HOH S 5 . ? 1.49641 -59.76478 4.35144 1.000 28.11869 ? 371 HOH B O 1 HETATM 10804 O O . HOH S 5 . ? -8.04435 -47.25546 15.14614 1.000 16.05147 ? 372 HOH B O 1 HETATM 10805 O O . HOH S 5 . ? 19.88803 -58.77822 11.57199 1.000 30.24134 ? 373 HOH B O 1 HETATM 10806 O O . HOH S 5 . ? 19.06951 -42.65076 4.42491 1.000 33.39928 ? 374 HOH B O 1 HETATM 10807 O O . HOH S 5 . ? 14.93036 -63.60406 3.22639 1.000 24.72409 ? 375 HOH B O 1 HETATM 10808 O O . HOH S 5 . ? 8.73949 -60.51317 17.23906 1.000 28.05575 ? 376 HOH B O 1 HETATM 10809 O O . HOH S 5 . ? -15.59858 -52.47596 6.97504 1.000 36.69698 ? 377 HOH B O 1 HETATM 10810 O O . HOH S 5 . ? -10.87653 -48.97521 5.62482 1.000 19.98150 ? 378 HOH B O 1 HETATM 10811 O O . HOH S 5 . ? 14.36585 -40.47038 7.45561 1.000 27.63642 ? 379 HOH B O 1 HETATM 10812 O O . HOH S 5 . ? -9.63548 -46.98284 8.49353 1.000 15.82449 ? 380 HOH B O 1 HETATM 10813 O O . HOH S 5 . ? 16.124 -53.932 -3.836 1.000 61.91270 ? 381 HOH B O 1 HETATM 10814 O O . HOH S 5 . ? 20.07831 -50.90617 13.37848 1.000 20.16667 ? 382 HOH B O 1 HETATM 10815 O O . HOH S 5 . ? -9.49281 -63.25165 6.62688 1.000 57.39869 ? 383 HOH B O 1 HETATM 10816 O O . HOH S 5 . ? -16.27884 -53.09740 9.08057 1.000 41.40924 ? 384 HOH B O 1 HETATM 10817 O O . HOH S 5 . ? 5.455 -49.013 -3.922 1.000 30.66795 ? 385 HOH B O 1 HETATM 10818 O O . HOH S 5 . ? -2.32609 -46.32019 17.88311 1.000 18.49494 ? 386 HOH B O 1 HETATM 10819 O O . HOH S 5 . ? 31.651 -50.640 5.904 1.000 23.73737 ? 387 HOH B O 1 HETATM 10820 O O . HOH S 5 . ? 1.17721 -36.87670 6.21964 1.000 42.94761 ? 388 HOH B O 1 HETATM 10821 O O . HOH S 5 . ? -10.40092 -50.70098 24.59886 1.000 27.60404 ? 389 HOH B O 1 HETATM 10822 O O . HOH S 5 . ? -12.18331 -49.47347 21.24694 1.000 27.32672 ? 390 HOH B O 1 HETATM 10823 O O . HOH S 5 . ? 7.901 -44.165 -4.358 1.000 34.03299 ? 391 HOH B O 1 HETATM 10824 O O . HOH S 5 . ? -11.58061 -52.33740 18.64216 1.000 30.49305 ? 392 HOH B O 1 HETATM 10825 O O . HOH S 5 . ? -7.85331 -37.72564 2.35210 1.000 39.29925 ? 393 HOH B O 1 HETATM 10826 O O . HOH S 5 . ? 27.58840 -48.70060 8.07029 1.000 21.95701 ? 394 HOH B O 1 HETATM 10827 O O . HOH S 5 . ? -14.80765 -50.75561 3.24943 1.000 34.81121 ? 395 HOH B O 1 HETATM 10828 O O . HOH S 5 . ? 14.87719 -56.21695 17.10586 1.000 33.93176 ? 396 HOH B O 1 HETATM 10829 O O . HOH S 5 . ? 10.80402 -64.51563 7.33116 1.000 31.12924 ? 397 HOH B O 1 HETATM 10830 O O . HOH S 5 . ? -21.24669 -48.61609 13.05721 1.000 37.68641 ? 398 HOH B O 1 HETATM 10831 O O . HOH S 5 . ? -18.20092 -44.97234 19.47318 1.000 33.42428 ? 399 HOH B O 1 HETATM 10832 O O . HOH S 5 . ? 2.64523 -36.52242 9.33511 1.000 28.20854 ? 400 HOH B O 1 HETATM 10833 O O . HOH S 5 . ? 11.19561 -61.63663 10.06792 1.000 26.79479 ? 401 HOH B O 1 HETATM 10834 O O . HOH S 5 . ? -19.66954 -45.49105 10.61715 1.000 30.51065 ? 402 HOH B O 1 HETATM 10835 O O . HOH S 5 . ? -24.29103 -40.64333 8.64366 1.000 31.32446 ? 403 HOH B O 1 HETATM 10836 O O . HOH S 5 . ? -1.58514 -59.13774 18.58254 1.000 26.95359 ? 404 HOH B O 1 HETATM 10837 O O . HOH S 5 . ? -5.81917 -46.23015 2.35895 1.000 26.14746 ? 405 HOH B O 1 HETATM 10838 O O . HOH S 5 . ? -2.26822 -36.44178 7.68195 1.000 44.28337 ? 406 HOH B O 1 HETATM 10839 O O . HOH S 5 . ? -11.58683 -53.05830 22.67974 1.000 33.09873 ? 407 HOH B O 1 HETATM 10840 O O . HOH S 5 . ? -13.25667 -55.17672 14.81441 1.000 47.62527 ? 408 HOH B O 1 HETATM 10841 O O . HOH S 5 . ? 4.40900 -58.42108 0.38444 1.000 39.13183 ? 409 HOH B O 1 HETATM 10842 O O . HOH S 5 . ? 8.13429 -43.56027 19.02906 1.000 31.64178 ? 410 HOH B O 1 HETATM 10843 O O . HOH S 5 . ? -7.98560 -33.39431 20.24282 1.000 40.95911 ? 411 HOH B O 1 HETATM 10844 O O . HOH S 5 . ? 6.91709 -62.87454 2.48554 1.000 34.64555 ? 412 HOH B O 1 HETATM 10845 O O . HOH S 5 . ? 5.22062 -55.76168 0.12026 1.000 32.73340 ? 413 HOH B O 1 HETATM 10846 O O . HOH S 5 . ? -13.20136 -48.91561 18.49556 1.000 22.89628 ? 414 HOH B O 1 HETATM 10847 O O . HOH S 5 . ? 17.25167 -44.51067 10.81166 1.000 25.69246 ? 415 HOH B O 1 HETATM 10848 O O . HOH S 5 . ? 22.95554 -45.76171 9.71216 1.000 29.29361 ? 416 HOH B O 1 HETATM 10849 O O . HOH S 5 . ? 14.644 -41.722 0.018 1.000 28.09112 ? 417 HOH B O 1 HETATM 10850 O O . HOH S 5 . ? 24.80272 -50.60142 -2.14414 1.000 52.21160 ? 418 HOH B O 1 HETATM 10851 O O . HOH S 5 . ? -26.18139 -44.32594 13.70959 1.000 46.27777 ? 419 HOH B O 1 HETATM 10852 O O . HOH S 5 . ? -4.85472 -59.85581 0.05644 1.000 41.53093 ? 420 HOH B O 1 HETATM 10853 O O . HOH S 5 . ? -9.09260 -54.98144 12.14155 1.000 35.61947 ? 421 HOH B O 1 HETATM 10854 O O . HOH S 5 . ? 15.80820 -42.04280 9.95808 1.000 32.02710 ? 422 HOH B O 1 HETATM 10855 O O . HOH S 5 . ? 5.06334 -55.22301 -2.27197 1.000 45.47898 ? 423 HOH B O 1 HETATM 10856 O O . HOH S 5 . ? 15.86207 -47.56787 21.76957 1.000 44.00901 ? 424 HOH B O 1 HETATM 10857 O O . HOH S 5 . ? 6.07116 -35.35407 11.35120 1.000 54.05705 ? 425 HOH B O 1 HETATM 10858 O O . HOH S 5 . ? 1.63830 -61.33799 16.54419 1.000 41.88406 ? 426 HOH B O 1 HETATM 10859 O O . HOH S 5 . ? -2.72737 -39.41606 1.73914 1.000 49.28520 ? 427 HOH B O 1 HETATM 10860 O O . HOH S 5 . ? 18.84675 -43.28051 12.65126 1.000 48.15750 ? 428 HOH B O 1 HETATM 10861 O O . HOH S 5 . ? -7.81864 -47.97206 1.00719 1.000 22.06624 ? 429 HOH B O 1 HETATM 10862 O O . HOH S 5 . ? -11.72535 -56.86318 14.88909 1.000 40.63681 ? 430 HOH B O 1 HETATM 10863 O O . HOH S 5 . ? 15.64064 -56.55725 19.76906 1.000 34.14590 ? 431 HOH B O 1 HETATM 10864 O O . HOH S 5 . ? -2.04582 -38.01866 4.30657 1.000 31.17811 ? 432 HOH B O 1 HETATM 10865 O O . HOH S 5 . ? 27.012 -58.958 -2.507 1.000 52.77954 ? 433 HOH B O 1 HETATM 10866 O O . HOH S 5 . ? 18.87010 -44.83673 8.64870 1.000 37.67182 ? 434 HOH B O 1 HETATM 10867 O O . HOH S 5 . ? -2.77609 -45.68333 0.90346 1.000 27.15867 ? 435 HOH B O 1 HETATM 10868 O O . HOH S 5 . ? -5.65732 -33.85167 14.51230 1.000 24.06840 ? 436 HOH B O 1 HETATM 10869 O O . HOH S 5 . ? -10.37879 -30.30595 19.09628 1.000 57.43546 ? 437 HOH B O 1 HETATM 10870 O O . HOH S 5 . ? -16.94629 -48.70416 11.86243 1.000 61.64649 ? 438 HOH B O 1 HETATM 10871 O O . HOH S 5 . ? -4.08480 -62.15197 7.66573 1.000 31.17791 ? 439 HOH B O 1 HETATM 10872 O O . HOH S 5 . ? -12.93520 -52.32411 -0.92363 1.000 34.13391 ? 440 HOH B O 1 HETATM 10873 O O . HOH S 5 . ? -5.55377 -64.64093 16.79768 1.000 72.44620 ? 441 HOH B O 1 HETATM 10874 O O . HOH S 5 . ? 9.02661 -62.65504 13.25329 1.000 42.58872 ? 442 HOH B O 1 HETATM 10875 O O . HOH S 5 . ? -12.65589 -55.12772 11.77122 1.000 52.16503 ? 443 HOH B O 1 HETATM 10876 O O . HOH S 5 . ? 20.53347 -49.33559 15.35356 1.000 26.53685 ? 444 HOH B O 1 HETATM 10877 O O . HOH S 5 . ? 10.95597 -55.33939 -0.31490 1.000 34.12411 ? 445 HOH B O 1 HETATM 10878 O O . HOH S 5 . ? 15.48646 -51.42259 -3.85723 1.000 39.46914 ? 446 HOH B O 1 HETATM 10879 O O . HOH S 5 . ? 7.28846 -64.43224 9.53416 1.000 35.49077 ? 447 HOH B O 1 HETATM 10880 O O . HOH S 5 . ? 0.59887 -36.22327 11.28481 1.000 41.37097 ? 448 HOH B O 1 HETATM 10881 O O . HOH S 5 . ? -9.39116 -58.36785 0.93425 1.000 33.13094 ? 449 HOH B O 1 HETATM 10882 O O . HOH S 5 . ? -14.09857 -51.32946 17.96593 1.000 41.41039 ? 450 HOH B O 1 HETATM 10883 O O . HOH S 5 . ? 24.91689 -46.48864 7.47281 1.000 31.02252 ? 451 HOH B O 1 HETATM 10884 O O . HOH S 5 . ? -0.50830 -35.54810 9.30665 1.000 63.22405 ? 452 HOH B O 1 HETATM 10885 O O . HOH S 5 . ? 10.45363 -51.32527 -2.43992 1.000 41.34137 ? 453 HOH B O 1 HETATM 10886 O O . HOH S 5 . ? -10.70392 -57.81575 17.43766 1.000 53.46640 ? 454 HOH B O 1 HETATM 10887 O O . HOH S 5 . ? 11.33739 -44.24586 21.08102 1.000 48.96139 ? 455 HOH B O 1 HETATM 10888 O O . HOH S 5 . ? -15.57233 -50.93398 13.93059 1.000 59.59813 ? 456 HOH B O 1 HETATM 10889 O O . HOH S 5 . ? 27.77709 -53.27866 -0.45702 1.000 43.37656 ? 457 HOH B O 1 HETATM 10890 O O . HOH S 5 . ? -4.77382 -64.09590 9.31702 1.000 47.13412 ? 458 HOH B O 1 HETATM 10891 O O . HOH S 5 . ? 20.81975 -45.90742 17.26743 1.000 49.29604 ? 459 HOH B O 1 HETATM 10892 O O . HOH S 5 . ? -9.28968 -60.74546 2.46662 1.000 50.64257 ? 460 HOH B O 1 HETATM 10893 O O . HOH S 5 . ? 24.62577 -45.06373 10.68839 1.000 67.41836 ? 461 HOH B O 1 HETATM 10894 O O . HOH S 5 . ? 3.48111 -37.01880 3.42687 1.000 25.44172 ? 462 HOH B O 1 HETATM 10895 O O . HOH S 5 . ? 20.91432 -48.93928 -4.12685 1.000 60.65438 ? 463 HOH B O 1 HETATM 10896 O O . HOH S 5 . ? 13.967 -37.691 3.012 1.000 50.60701 ? 464 HOH B O 1 HETATM 10897 O O . HOH S 5 . ? 14.589 -39.405 0.927 1.000 41.34696 ? 465 HOH B O 1 HETATM 10898 O O . HOH S 5 . ? -3.26031 -61.34637 16.89006 1.000 40.84490 ? 466 HOH B O 1 HETATM 10899 O O . HOH S 5 . ? 16.57569 -56.11231 23.83268 1.000 40.28708 ? 467 HOH B O 1 HETATM 10900 O O . HOH S 5 . ? -7.80037 -38.79186 0.41002 1.000 57.14826 ? 468 HOH B O 1 HETATM 10901 O O . HOH S 5 . ? -16.51084 -48.13717 9.34299 1.000 44.04716 ? 469 HOH B O 1 HETATM 10902 O O . HOH S 5 . ? 2.63321 -47.08500 -2.72319 1.000 36.24041 ? 470 HOH B O 1 HETATM 10903 O O . HOH S 5 . ? 17.29746 -40.22562 7.79358 1.000 44.99997 ? 471 HOH B O 1 HETATM 10904 O O . HOH S 5 . ? -20.35852 -48.46346 10.99067 1.000 62.36753 ? 472 HOH B O 1 HETATM 10905 O O . HOH S 5 . ? 18.85780 -42.35335 7.01092 1.000 37.37742 ? 473 HOH B O 1 HETATM 10906 O O . HOH S 5 . ? 10.81867 -61.10634 13.09311 1.000 43.75056 ? 474 HOH B O 1 HETATM 10907 O O . HOH S 5 . ? -8.90700 -31.34429 21.16970 1.000 61.92936 ? 475 HOH B O 1 HETATM 10908 O O . HOH S 5 . ? -10.34613 -46.91901 1.38813 1.000 19.39758 ? 476 HOH B O 1 HETATM 10909 O O . HOH S 5 . ? 1.99375 -64.76359 11.68897 1.000 33.28078 ? 477 HOH B O 1 HETATM 10910 O O . HOH S 5 . ? 17.859 -39.883 2.079 1.000 65.82306 ? 478 HOH B O 1 HETATM 10911 O O . HOH S 5 . ? 9.19101 -61.10505 1.32921 1.000 56.87306 ? 479 HOH B O 1 HETATM 10912 O O . HOH S 5 . ? -7.69284 -48.36125 -2.88521 1.000 42.44640 ? 480 HOH B O 1 HETATM 10913 O O . HOH S 5 . ? 21.437 -57.165 19.978 1.000 48.24604 ? 481 HOH B O 1 HETATM 10914 O O . HOH S 5 . ? -14.31395 -49.55413 15.31255 1.000 55.32927 ? 482 HOH B O 1 HETATM 10915 O O . HOH S 5 . ? 6.481 -33.010 2.554 1.000 41.95826 ? 483 HOH B O 1 HETATM 10916 O O . HOH S 5 . ? -23.41186 -45.81747 16.69410 1.000 54.44893 ? 484 HOH B O 1 HETATM 10917 O O . HOH S 5 . ? -9.92483 -41.70145 0.69579 1.000 23.97343 ? 485 HOH B O 1 HETATM 10918 O O . HOH S 5 . ? -15.18370 -57.53266 9.69992 1.000 49.66555 ? 486 HOH B O 1 HETATM 10919 O O . HOH S 5 . ? -2.64478 -42.89974 1.57853 1.000 43.85320 ? 487 HOH B O 1 HETATM 10920 O O . HOH S 5 . ? -22.41827 -42.34154 17.74207 1.000 38.35672 ? 488 HOH B O 1 HETATM 10921 O O . HOH S 5 . ? -4.72437 -44.01804 1.60503 1.000 38.53893 ? 489 HOH B O 1 HETATM 10922 O O . HOH S 5 . ? 2.51971 -58.80936 -1.00492 1.000 54.06174 ? 490 HOH B O 1 HETATM 10923 O O . HOH S 5 . ? 0.63213 -38.21675 3.56011 1.000 32.73891 ? 491 HOH B O 1 HETATM 10924 O O . HOH S 5 . ? 26.22794 -46.18958 9.77681 1.000 53.49060 ? 492 HOH B O 1 HETATM 10925 O O . HOH S 5 . ? -1.44970 -49.83729 -2.12833 1.000 49.24958 ? 493 HOH B O 1 HETATM 10926 O O . HOH S 5 . ? -24.54383 -41.71612 16.24174 1.000 42.31059 ? 494 HOH B O 1 HETATM 10927 O O . HOH S 5 . ? -0.03993 -60.70768 2.33622 1.000 52.78000 ? 495 HOH B O 1 HETATM 10928 O O . HOH S 5 . ? -8.77116 -58.65312 19.36397 1.000 55.82461 ? 496 HOH B O 1 HETATM 10929 O O . HOH S 5 . ? -12.99583 -57.51843 10.71619 1.000 36.83069 ? 497 HOH B O 1 HETATM 10930 O O . HOH S 5 . ? -5.34686 -56.36865 23.92543 1.000 29.61753 ? 498 HOH B O 1 HETATM 10931 O O . HOH S 5 . ? -13.05700 -48.07432 23.50528 1.000 28.83917 ? 499 HOH B O 1 HETATM 10932 O O . HOH S 5 . ? -25.45537 -43.09033 8.31786 1.000 46.07085 ? 500 HOH B O 1 HETATM 10933 O O . HOH S 5 . ? -13.53120 -51.62847 22.01392 1.000 46.26352 ? 501 HOH B O 1 HETATM 10934 O O . HOH S 5 . ? -2.98278 -35.53107 5.20878 1.000 58.92527 ? 502 HOH B O 1 HETATM 10935 O O . HOH S 5 . ? -16.69423 -55.62369 8.48338 1.000 46.05285 ? 503 HOH B O 1 HETATM 10936 O O . HOH S 5 . ? -12.57725 -60.41242 11.68400 1.000 54.36925 ? 504 HOH B O 1 HETATM 10937 O O . HOH S 5 . ? 12.98898 -59.76671 17.93773 1.000 60.87139 ? 505 HOH B O 1 HETATM 10938 O O . HOH S 5 . ? -2.360 -38.967 -0.282 1.000 49.96080 ? 506 HOH B O 1 HETATM 10939 O O . HOH S 5 . ? 13.93402 -45.95181 22.80768 1.000 35.42656 ? 507 HOH B O 1 HETATM 10940 O O . HOH S 5 . ? 16.75727 -57.93168 15.66870 1.000 39.42753 ? 508 HOH B O 1 HETATM 10941 O O . HOH S 5 . ? 2.514 -40.335 0.203 1.000 22.35439 ? 509 HOH B O 1 HETATM 10942 O O . HOH S 5 . ? -0.82985 -63.19400 4.25727 1.000 40.77188 ? 510 HOH B O 1 HETATM 10943 O O . HOH S 5 . ? 4.47376 -62.29394 1.85480 1.000 49.07232 ? 511 HOH B O 1 HETATM 10944 O O . HOH S 5 . ? 8.20073 -65.70147 7.19277 1.000 42.40869 ? 512 HOH B O 1 HETATM 10945 O O . HOH S 5 . ? 8.654 -53.940 -3.470 1.000 62.88727 ? 513 HOH B O 1 HETATM 10946 O O . HOH S 5 . ? -2.70773 -63.69539 5.81622 1.000 30.05201 ? 514 HOH B O 1 HETATM 10947 O O . HOH S 5 . ? -15.29050 -46.61548 22.33151 1.000 33.54931 ? 515 HOH B O 1 HETATM 10948 O O . HOH S 5 . ? 19.00096 -58.35890 14.00659 1.000 36.74889 ? 516 HOH B O 1 HETATM 10949 O O . HOH S 5 . ? 13.00454 -61.14643 14.43892 1.000 66.55709 ? 517 HOH B O 1 HETATM 10950 O O . HOH S 5 . ? -1.41746 -43.04360 -0.75020 1.000 54.38291 ? 518 HOH B O 1 HETATM 10951 O O . HOH S 5 . ? 23.28896 -42.23518 8.12212 1.000 60.47153 ? 519 HOH B O 1 HETATM 10952 O O . HOH S 5 . ? -2.23856 -66.17974 6.77224 1.000 45.57641 ? 520 HOH B O 1 HETATM 10953 O O . HOH S 5 . ? 15.32020 -60.52050 15.07430 1.000 41.74654 ? 521 HOH B O 1 # loop_ _atom_site_anisotrop.id _atom_site_anisotrop.type_symbol _atom_site_anisotrop.pdbx_label_atom_id _atom_site_anisotrop.pdbx_label_alt_id _atom_site_anisotrop.pdbx_label_comp_id _atom_site_anisotrop.pdbx_label_asym_id _atom_site_anisotrop.pdbx_label_seq_id _atom_site_anisotrop.pdbx_PDB_ins_code _atom_site_anisotrop.U[1][1] _atom_site_anisotrop.U[2][2] _atom_site_anisotrop.U[3][3] _atom_site_anisotrop.U[1][2] _atom_site_anisotrop.U[1][3] _atom_site_anisotrop.U[2][3] _atom_site_anisotrop.pdbx_auth_seq_id _atom_site_anisotrop.pdbx_auth_comp_id _atom_site_anisotrop.pdbx_auth_asym_id _atom_site_anisotrop.pdbx_auth_atom_id 1 N N . ALA A 2 ? 0.92255 0.75401 0.90951 -0.14862 -0.07293 0.10685 145 ALA C N 2 C CA . ALA A 2 ? 0.88954 0.72641 0.85866 -0.12577 -0.07883 0.11668 145 ALA C CA 3 C C . ALA A 2 ? 0.78128 0.63335 0.74205 -0.11406 -0.07078 0.12429 145 ALA C C 4 O O . ALA A 2 ? 0.73651 0.61099 0.74962 -0.12660 -0.07671 0.13956 145 ALA C O 5 C CB . ALA A 2 ? 0.92932 0.76764 0.92805 -0.13154 -0.08977 0.12497 145 ALA C CB 10 N N . SER A 3 ? 0.70732 0.59352 0.69800 -0.10228 -0.06930 0.09969 146 SER C N 11 C CA . SER A 3 ? 0.60494 0.51753 0.59605 -0.09348 -0.08697 0.07543 146 SER C CA 12 C C . SER A 3 ? 0.49683 0.40857 0.47333 -0.09460 -0.11224 0.03881 146 SER C C 13 O O . SER A 3 ? 0.49672 0.35810 0.44403 -0.11815 -0.12339 0.01669 146 SER C O 14 C CB . SER A 3 ? 0.62961 0.54773 0.63761 -0.09056 -0.09325 0.08902 146 SER C CB 15 O OG . SER A 3 ? 0.65437 0.61491 0.70770 -0.09077 -0.08768 0.08769 146 SER C OG 21 N N . ASN A 4 ? 0.42691 0.35348 0.37456 -0.07173 -0.11220 0.01534 147 ASN C N 22 C CA . ASN A 4 ? 0.41958 0.33647 0.30771 -0.06918 -0.11007 -0.01283 147 ASN C CA 23 C C . ASN A 4 ? 0.40931 0.32635 0.27756 -0.05653 -0.08665 -0.00269 147 ASN C C 24 O O . ASN A 4 ? 0.42133 0.32733 0.30096 -0.05370 -0.07239 -0.01253 147 ASN C O 25 C CB . ASN A 4 ? 0.39807 0.30740 0.27071 -0.07847 -0.11604 -0.02180 147 ASN C CB 26 C CG . ASN A 4 ? 0.41314 0.29424 0.26716 -0.07994 -0.10425 -0.03761 147 ASN C CG 27 O OD1 . ASN A 4 ? 0.46554 0.29928 0.27627 -0.05440 -0.09824 -0.01231 147 ASN C OD1 28 N ND2 . ASN A 4 ? 0.40297 0.29982 0.24946 -0.07035 -0.08473 -0.03929 147 ASN C ND2 35 N N . PHE A 5 ? 0.40684 0.32245 0.27162 -0.05382 -0.08139 -0.01165 148 PHE C N 36 C CA . PHE A 5 ? 0.37510 0.29922 0.26510 -0.03002 -0.08174 0.01045 148 PHE C CA 37 C C . PHE A 5 ? 0.37053 0.30120 0.27504 -0.04255 -0.09237 0.00813 148 PHE C C 38 O O . PHE A 5 ? 0.37678 0.33197 0.27489 -0.03601 -0.12416 0.00267 148 PHE C O 39 C CB . PHE A 5 ? 0.37102 0.29827 0.27247 -0.01031 -0.08405 0.00210 148 PHE C CB 40 C CG . PHE A 5 ? 0.34223 0.28524 0.24480 -0.01305 -0.08609 -0.00067 148 PHE C CG 41 C CD1 . PHE A 5 ? 0.34749 0.30142 0.25648 -0.02853 -0.10538 -0.01127 148 PHE C CD1 42 C CD2 . PHE A 5 ? 0.37718 0.29758 0.22869 0.00184 -0.05418 0.00552 148 PHE C CD2 43 C CE1 . PHE A 5 ? 0.38114 0.29992 0.24523 -0.03460 -0.08139 -0.01781 148 PHE C CE1 44 C CE2 . PHE A 5 ? 0.39812 0.29509 0.21544 -0.01185 -0.06880 0.00155 148 PHE C CE2 45 C CZ . PHE A 5 ? 0.38631 0.29774 0.21495 -0.02818 -0.09021 -0.01461 148 PHE C CZ 55 N N . MET A 6 ? 0.36097 0.31067 0.28999 -0.05266 -0.08780 -0.00796 149 MET C N 56 C CA . MET A 6 ? 0.34848 0.32791 0.31836 -0.06153 -0.09719 -0.00536 149 MET C CA 57 C C . MET A 6 ? 0.34093 0.32427 0.25719 -0.01719 -0.08551 0.00667 149 MET C C 58 O O . MET A 6 ? 0.36593 0.30571 0.25040 -0.01557 -0.04740 -0.01168 149 MET C O 59 C CB . MET A 6 ? 0.37561 0.39224 0.43519 -0.08208 -0.09435 0.00511 149 MET C CB 60 C CG . MET A 6 ? 0.39463 0.47643 0.51554 -0.07568 -0.07472 0.01527 149 MET C CG 61 S SD . MET A 6 ? 0.45477 0.56146 0.59917 -0.07847 -0.08837 0.03194 149 MET C SD 62 C CE . MET A 6 ? 0.52879 0.60310 0.63780 -0.08253 -0.11487 0.02924 149 MET C CE 72 N N . LEU A 7 ? 0.32323 0.31955 0.23061 -0.00806 -0.10105 0.00275 150 LEU C N 73 C CA . LEU A 7 ? 0.30598 0.32141 0.20476 0.00445 -0.10609 -0.01858 150 LEU C CA 74 C C . LEU A 7 ? 0.31060 0.33439 0.21886 0.00138 -0.09660 -0.04000 150 LEU C C 75 O O . LEU A 7 ? 0.31918 0.31111 0.21943 0.02846 -0.10417 -0.03881 150 LEU C O 76 C CB . LEU A 7 ? 0.29957 0.34277 0.20063 0.02045 -0.11699 -0.04058 150 LEU C CB 77 C CG . LEU A 7 ? 0.30798 0.33768 0.21838 0.01054 -0.11258 -0.06230 150 LEU C CG 78 C CD1 . LEU A 7 ? 0.28042 0.32897 0.20810 0.02895 -0.10177 -0.05641 150 LEU C CD1 79 C CD2 . LEU A 7 ? 0.32635 0.32904 0.27133 0.00140 -0.06703 -0.07228 150 LEU C CD2 91 N N . THR A 8 ? 0.27662 0.34668 0.23572 -0.00321 -0.10344 -0.01939 151 THR C N 92 C CA . THR A 8 ? 0.24873 0.34407 0.23906 -0.01151 -0.10408 -0.00325 151 THR C CA 93 C C . THR A 8 ? 0.28939 0.35193 0.24270 -0.00631 -0.07326 0.01045 151 THR C C 94 O O . THR A 8 ? 0.29561 0.34443 0.25959 -0.01522 -0.06605 -0.00659 151 THR C O 95 C CB . THR A 8 ? 0.26801 0.37366 0.28746 -0.02543 -0.07846 0.01357 151 THR C CB 96 O OG1 . THR A 8 ? 0.30490 0.38662 0.32828 -0.06126 -0.06177 0.02337 151 THR C OG1 97 C CG2 . THR A 8 ? 0.29923 0.40063 0.31134 -0.01295 -0.07491 0.00567 151 THR C CG2 105 N N . GLN A 9 ? 0.28133 0.36372 0.23873 -0.00414 -0.08295 0.00955 152 GLN C N 106 C CA . GLN A 9 ? 0.26988 0.36107 0.25247 0.00141 -0.08535 -0.00643 152 GLN C CA 107 C C . GLN A 9 ? 0.27613 0.36942 0.25223 0.03158 -0.07661 -0.01076 152 GLN C C 108 O O . GLN A 9 ? 0.28669 0.37789 0.29049 0.06020 -0.05409 0.00513 152 GLN C O 109 C CB . GLN A 9 ? 0.29647 0.36401 0.26756 -0.00723 -0.08681 0.01595 152 GLN C CB 110 C CG . GLN A 9 ? 0.29775 0.35939 0.23971 -0.01715 -0.08402 0.01067 152 GLN C CG 111 C CD . GLN A 9 ? 0.24522 0.36212 0.19640 0.00339 -0.06440 -0.00007 152 GLN C CD 112 O OE1 . GLN A 9 ? 0.25964 0.36554 0.19685 0.01487 -0.07535 0.02105 152 GLN C OE1 113 N NE2 . GLN A 9 ? 0.24988 0.36125 0.19893 0.01816 -0.05931 -0.00784 152 GLN C NE2 122 N N . PRO A 10 ? 0.27342 0.38868 0.22808 0.01705 -0.06809 0.01761 153 PRO C N 123 C CA . PRO A 10 ? 0.26505 0.40255 0.24265 0.01539 -0.05005 0.03830 153 PRO C CA 124 C C . PRO A 10 ? 0.21525 0.41441 0.26654 0.02347 -0.05944 0.04523 153 PRO C C 125 O O . PRO A 10 ? 0.21710 0.42541 0.22424 0.01702 -0.06094 0.02929 153 PRO C O 126 C CB . PRO A 10 ? 0.30176 0.42119 0.22765 0.01133 -0.05909 0.02549 153 PRO C CB 127 C CG . PRO A 10 ? 0.30508 0.42504 0.24152 0.02035 -0.05577 0.01239 153 PRO C CG 128 C CD . PRO A 10 ? 0.26894 0.40902 0.20137 0.00756 -0.05822 0.00008 153 PRO C CD 136 N N . ARG A 11 ? 0.20129 0.44193 0.34886 -0.00219 -0.04570 0.09315 154 ARG C N 137 C CA . ARG A 11 ? 0.23746 0.47811 0.38810 0.01445 -0.03871 0.08237 154 ARG C CA 138 C C . ARG A 11 ? 0.22543 0.42454 0.33999 -0.00687 -0.04764 0.04967 154 ARG C C 139 O O . ARG A 11 ? 0.25935 0.36881 0.29540 0.00746 -0.03137 0.05774 154 ARG C O 140 C CB . ARG A 11 ? 0.33079 0.58221 0.49407 0.01807 0.01992 0.10149 154 ARG C CB 141 C CG . ARG A 11 ? 0.44755 0.67116 0.59938 0.01470 0.02526 0.08856 154 ARG C CG 142 C CD . ARG A 11 ? 0.40052 0.66751 0.62157 0.00781 0.01484 0.08157 154 ARG C CD 143 N NE . ARG A 11 ? 0.41247 0.67956 0.65257 0.01886 -0.00621 0.08747 154 ARG C NE 144 C CZ . ARG A 11 ? 0.46240 0.66257 0.64921 0.03677 -0.03239 0.10794 154 ARG C CZ 145 N NH1 . ARG A 11 ? 0.47973 0.64403 0.69913 0.00150 -0.06136 0.11222 154 ARG C NH1 146 N NH2 . ARG A 11 ? 0.52412 0.65704 0.61275 0.10054 -0.03432 0.13116 154 ARG C NH2 160 N N . SER A 12 ? 0.25420 0.40904 0.32186 -0.03533 -0.07557 0.05173 155 SER C N 161 C CA . SER A 12 ? 0.31442 0.42906 0.32356 -0.02397 -0.07696 0.03522 155 SER C CA 162 C C . SER A 12 ? 0.35518 0.38512 0.26209 -0.03124 -0.10454 0.01478 155 SER C C 163 O O . SER A 12 ? 0.44171 0.36026 0.27924 -0.08271 -0.08873 -0.01727 155 SER C O 164 C CB . SER A 12 ? 0.34895 0.45940 0.36429 0.00469 -0.05872 0.05925 155 SER C CB 165 O OG . SER A 12 ? 0.40010 0.47735 0.40868 0.00937 -0.04375 0.07639 155 SER C OG 172 N N . VAL A 13 ? 0.33058 0.37191 0.22106 -0.01119 -0.10684 0.05182 156 VAL C N 173 C CA . VAL A 13 ? 0.34361 0.38439 0.22473 0.00734 -0.11301 0.02713 156 VAL C CA 174 C C . VAL A 13 ? 0.32979 0.37963 0.21307 0.01217 -0.08525 0.01967 156 VAL C C 175 O O . VAL A 13 ? 0.30704 0.36402 0.21771 0.03190 -0.05218 0.01153 156 VAL C O 176 C CB . VAL A 13 ? 0.34549 0.37487 0.24645 0.01313 -0.09274 0.00274 156 VAL C CB 177 C CG1 . VAL A 13 ? 0.37819 0.40189 0.26694 0.04927 -0.09924 0.02529 156 VAL C CG1 178 C CG2 . VAL A 13 ? 0.36041 0.38199 0.27239 0.00668 -0.08035 -0.03695 156 VAL C CG2 188 N N . SER A 14 ? 0.36989 0.40468 0.20171 0.01307 -0.07144 0.05145 157 SER C N 189 C CA . SER A 14 ? 0.37775 0.39644 0.22665 -0.00411 -0.03056 0.05415 157 SER C CA 190 C C . SER A 14 ? 0.38672 0.37414 0.19853 -0.00417 -0.03324 0.01433 157 SER C C 191 O O . SER A 14 ? 0.44966 0.37991 0.21300 -0.02471 -0.01309 0.00276 157 SER C O 192 C CB . SER A 14 ? 0.34052 0.42025 0.27974 0.01802 0.01252 0.10741 157 SER C CB 193 O OG . SER A 14 ? 0.40077 0.47710 0.36635 0.03395 -0.01473 0.07243 157 SER C OG 199 N N . GLU A 15 ? 0.31932 0.39838 0.18915 0.00373 -0.03599 0.01676 158 GLU C N 200 C CA . GLU A 15 ? 0.29228 0.42723 0.22836 0.01133 -0.04439 0.01859 158 GLU C CA 201 C C . GLU A 15 ? 0.26252 0.41465 0.21847 0.03444 -0.05799 0.04248 158 GLU C C 202 O O . GLU A 15 ? 0.29446 0.40911 0.22884 -0.00332 -0.05006 0.05213 158 GLU C O 203 C CB . GLU A 15 ? 0.36179 0.48269 0.29748 0.00204 -0.04391 0.01147 158 GLU C CB 204 C CG . GLU A 15 ? 0.44086 0.55443 0.33580 0.00411 -0.03395 0.03602 158 GLU C CG 205 C CD . GLU A 15 ? 0.54346 0.61901 0.37953 -0.01894 -0.02853 0.00605 158 GLU C CD 206 O OE1 . GLU A 15 ? 0.67080 0.71742 0.47305 0.01021 0.00369 -0.00428 158 GLU C OE1 207 O OE2 . GLU A 15 ? 0.53087 0.60981 0.31448 -0.04821 -0.08373 0.00655 158 GLU C OE2 214 N N . SER A 16 ? 0.27502 0.41306 0.23747 0.05037 -0.04689 0.05282 159 SER C N 215 C CA . SER A 16 ? 0.28692 0.42000 0.26244 0.04736 -0.05389 0.09326 159 SER C CA 216 C C . SER A 16 ? 0.28375 0.42165 0.26295 0.02891 -0.02479 0.08314 159 SER C C 217 O O . SER A 16 ? 0.28093 0.38271 0.24234 -0.00231 -0.01546 0.05358 159 SER C O 218 C CB . SER A 16 ? 0.32545 0.47507 0.29763 0.03865 -0.10389 0.12175 159 SER C CB 219 O OG . SER A 16 ? 0.36301 0.49842 0.35383 -0.00130 -0.10142 0.11947 159 SER C OG 225 N N . PRO A 17 ? 0.29823 0.41088 0.26563 0.03361 -0.00861 0.08079 160 PRO C N 226 C CA . PRO A 17 ? 0.31351 0.41562 0.28013 0.03223 0.00326 0.09155 160 PRO C CA 227 C C . PRO A 17 ? 0.33753 0.42811 0.27676 0.02172 0.00764 0.10538 160 PRO C C 228 O O . PRO A 17 ? 0.33719 0.44291 0.27712 0.00118 -0.01365 0.14624 160 PRO C O 229 C CB . PRO A 17 ? 0.31312 0.42329 0.32211 0.02358 0.00603 0.07673 160 PRO C CB 230 C CG . PRO A 17 ? 0.31918 0.40978 0.32663 0.01919 0.00919 0.06091 160 PRO C CG 231 C CD . PRO A 17 ? 0.31371 0.42555 0.29689 0.00851 -0.00687 0.05249 160 PRO C CD 239 N N . GLY A 18 ? 0.32170 0.41991 0.24372 0.03485 0.04527 0.08735 161 GLY C N 240 C CA . GLY A 18 ? 0.34744 0.43208 0.25145 0.03241 0.08027 0.06978 161 GLY C CA 241 C C . GLY A 18 ? 0.38213 0.46276 0.27374 0.01975 0.05542 0.07170 161 GLY C C 242 O O . GLY A 18 ? 0.36266 0.50007 0.27698 -0.00899 0.06211 0.05805 161 GLY C O 246 N N . LYS A 19 ? 0.34868 0.45394 0.25919 0.05524 -0.00037 0.10319 162 LYS C N 247 C CA . LYS A 19 ? 0.39553 0.46704 0.26436 0.06629 -0.05224 0.10439 162 LYS C CA 248 C C . LYS A 19 ? 0.37712 0.44503 0.27047 0.05188 -0.04654 0.07370 162 LYS C C 249 O O . LYS A 19 ? 0.34555 0.42460 0.26428 0.03172 -0.04069 0.05876 162 LYS C O 250 C CB . LYS A 19 ? 0.44178 0.51729 0.29520 0.07545 -0.09066 0.12508 162 LYS C CB 251 C CG . LYS A 19 ? 0.52219 0.61302 0.36134 0.07185 -0.08402 0.12355 162 LYS C CG 252 C CD . LYS A 19 ? 0.62766 0.72220 0.41774 0.05191 -0.07077 0.09983 162 LYS C CD 253 C CE . LYS A 19 ? 0.73251 0.84172 0.50421 0.03326 -0.07402 0.08822 162 LYS C CE 254 N NZ . LYS A 19 ? 0.73868 0.84666 0.48817 0.02610 -0.07429 0.08745 162 LYS C NZ 268 N N . THR A 20 ? 0.42102 0.44478 0.27818 0.06748 -0.07365 0.08400 163 THR C N 269 C CA . THR A 20 ? 0.45352 0.47198 0.27349 0.06049 -0.06944 0.08223 163 THR C CA 270 C C . THR A 20 ? 0.44905 0.48832 0.27487 0.04777 -0.08205 0.07698 163 THR C C 271 O O . THR A 20 ? 0.49770 0.50987 0.30520 0.02541 -0.08827 0.11127 163 THR C O 272 C CB . THR A 20 ? 0.48449 0.47882 0.24829 0.05224 -0.05629 0.08534 163 THR C CB 273 O OG1 . THR A 20 ? 0.49469 0.49462 0.29499 0.04568 -0.04476 0.04838 163 THR C OG1 274 C CG2 . THR A 20 ? 0.50538 0.48003 0.27638 0.07255 -0.05180 0.09592 163 THR C CG2 282 N N A VAL A 21 ? 0.40382 0.49230 0.25426 0.04889 -0.10645 0.07095 164 VAL C N 283 N N B VAL A 21 ? 0.42348 0.50894 0.27366 0.04664 -0.10189 0.06729 164 VAL C N 284 C CA A VAL A 21 ? 0.39532 0.51038 0.24357 0.05085 -0.11032 0.05858 164 VAL C CA 285 C CA B VAL A 21 ? 0.42287 0.52817 0.26282 0.04708 -0.08921 0.05855 164 VAL C CA 286 C C A VAL A 21 ? 0.36801 0.50813 0.23711 0.05195 -0.10037 0.04759 164 VAL C C 287 C C B VAL A 21 ? 0.38126 0.52033 0.25318 0.04904 -0.08984 0.04988 164 VAL C C 288 O O A VAL A 21 ? 0.34537 0.49311 0.24059 0.05771 -0.09281 0.04464 164 VAL C O 289 O O B VAL A 21 ? 0.35337 0.49909 0.24640 0.05264 -0.08347 0.05376 164 VAL C O 290 C CB A VAL A 21 ? 0.40329 0.54102 0.27764 0.05919 -0.08946 0.05433 164 VAL C CB 291 C CB B VAL A 21 ? 0.44460 0.56023 0.29093 0.04646 -0.05993 0.06732 164 VAL C CB 292 C CG1 A VAL A 21 ? 0.47005 0.58227 0.31774 0.04656 -0.06045 0.06252 164 VAL C CG1 293 C CG1 B VAL A 21 ? 0.44428 0.55961 0.30492 0.03873 -0.04969 0.06575 164 VAL C CG1 294 C CG2 A VAL A 21 ? 0.35386 0.53823 0.27075 0.07503 -0.09735 0.03406 164 VAL C CG2 295 C CG2 B VAL A 21 ? 0.44142 0.56114 0.29355 0.04403 -0.05580 0.06666 164 VAL C CG2 314 N N . THR A 22 ? 0.37308 0.51243 0.22287 0.05148 -0.08246 0.04345 165 THR C N 315 C CA . THR A 22 ? 0.39151 0.51028 0.21646 0.03950 -0.04881 0.04264 165 THR C CA 316 C C . THR A 22 ? 0.37385 0.47685 0.21111 0.05952 -0.08256 0.05143 165 THR C C 317 O O . THR A 22 ? 0.41193 0.45434 0.22550 0.06866 -0.10757 0.04594 165 THR C O 318 C CB . THR A 22 ? 0.47899 0.60350 0.27983 0.03992 0.03236 0.02296 165 THR C CB 319 O OG1 . THR A 22 ? 0.55283 0.69379 0.33900 0.03994 0.08569 -0.00035 165 THR C OG1 320 C CG2 . THR A 22 ? 0.48099 0.60626 0.27287 0.06150 0.01426 0.01366 165 THR C CG2 328 N N . ILE A 23 ? 0.31268 0.45306 0.18778 0.04209 -0.04558 0.03260 166 ILE C N 329 C CA . ILE A 23 ? 0.29232 0.43135 0.18505 0.05451 0.00129 0.03069 166 ILE C CA 330 C C . ILE A 23 ? 0.32131 0.43772 0.19297 0.07170 -0.02212 0.02285 166 ILE C C 331 O O . ILE A 23 ? 0.31890 0.45764 0.18897 0.05750 -0.04249 0.00826 166 ILE C O 332 C CB . ILE A 23 ? 0.26506 0.41789 0.19185 0.01629 0.00114 0.03785 166 ILE C CB 333 C CG1 . ILE A 23 ? 0.27919 0.42225 0.19515 -0.01315 -0.01309 0.02358 166 ILE C CG1 334 C CG2 . ILE A 23 ? 0.25046 0.41652 0.22421 -0.00113 0.01272 0.03676 166 ILE C CG2 335 C CD1 . ILE A 23 ? 0.30181 0.42624 0.24180 -0.02790 -0.00569 0.01104 166 ILE C CD1 347 N N . SER A 24 ? 0.32455 0.42419 0.19895 0.06946 -0.02532 0.02997 167 SER C N 348 C CA . SER A 24 ? 0.35871 0.45137 0.22478 0.03758 -0.04221 0.02823 167 SER C CA 349 C C . SER A 24 ? 0.33045 0.43236 0.24065 0.02870 -0.01804 0.01198 167 SER C C 350 O O . SER A 24 ? 0.30788 0.42843 0.26683 0.05383 -0.01712 0.04110 167 SER C O 351 C CB . SER A 24 ? 0.40784 0.49480 0.26515 0.02928 -0.04876 0.01599 167 SER C CB 352 O OG . SER A 24 ? 0.43767 0.51475 0.29576 0.01841 -0.04915 0.01281 167 SER C OG 358 N N . CYS A 25 ? 0.33789 0.42778 0.22905 0.00865 -0.01832 -0.02099 168 CYS C N 359 C CA . CYS A 25 ? 0.32095 0.39882 0.23069 0.00802 -0.05523 -0.00779 168 CYS C CA 360 C C . CYS A 25 ? 0.29590 0.38841 0.24077 0.02182 -0.08716 -0.02132 168 CYS C C 361 O O . CYS A 25 ? 0.30690 0.37989 0.29552 0.04010 -0.07373 -0.00288 168 CYS C O 362 C CB . CYS A 25 ? 0.37652 0.39911 0.24777 0.01378 -0.05109 -0.01447 168 CYS C CB 363 S SG . CYS A 25 ? 0.35088 0.40681 0.26408 0.00790 -0.04825 0.00154 168 CYS C SG 368 N N . THR A 26 ? 0.32613 0.38493 0.23009 0.02441 -0.09265 -0.00062 169 THR C N 369 C CA . THR A 26 ? 0.33268 0.35716 0.20447 0.01210 -0.09737 -0.02582 169 THR C CA 370 C C . THR A 26 ? 0.32587 0.32721 0.22135 0.01259 -0.09531 -0.01888 169 THR C C 371 O O . THR A 26 ? 0.30562 0.32010 0.21296 -0.00075 -0.05891 -0.01125 169 THR C O 372 C CB . THR A 26 ? 0.37992 0.37972 0.21397 0.01718 -0.10981 -0.01974 169 THR C CB 373 O OG1 . THR A 26 ? 0.39092 0.42761 0.24054 0.02255 -0.07189 -0.02696 169 THR C OG1 374 C CG2 . THR A 26 ? 0.39312 0.36486 0.23038 0.00150 -0.11265 -0.02669 169 THR C CG2 383 N N . ARG A 27 ? 0.31738 0.29326 0.22967 0.03475 -0.10232 -0.02413 170 ARG C N 384 C CA . ARG A 27 ? 0.32929 0.30667 0.24972 0.01927 -0.09622 -0.02775 170 ARG C CA 385 C C . ARG A 27 ? 0.35845 0.35471 0.26373 -0.00111 -0.09126 -0.03718 170 ARG C C 386 O O . ARG A 27 ? 0.36606 0.38705 0.24916 0.02157 -0.09441 -0.04974 170 ARG C O 387 C CB . ARG A 27 ? 0.33537 0.28975 0.25344 0.01033 -0.09655 -0.02741 170 ARG C CB 388 C CG . ARG A 27 ? 0.34703 0.27657 0.25468 -0.01163 -0.10773 0.00240 170 ARG C CG 389 C CD . ARG A 27 ? 0.34672 0.26326 0.23890 0.00083 -0.10145 0.00347 170 ARG C CD 390 N NE . ARG A 27 ? 0.35524 0.26947 0.24145 0.02932 -0.09264 -0.02675 170 ARG C NE 391 C CZ . ARG A 27 ? 0.36582 0.27381 0.25767 0.02311 -0.09210 -0.03512 170 ARG C CZ 392 N NH1 . ARG A 27 ? 0.39045 0.23270 0.24188 0.01241 -0.10071 -0.04720 170 ARG C NH1 393 N NH2 . ARG A 27 ? 0.34376 0.28857 0.29042 0.01939 -0.08945 -0.04941 170 ARG C NH2 407 N N . SER A 28 ? 0.32382 0.35086 0.27256 -0.02519 -0.10859 -0.02006 171 SER C N 408 C CA . SER A 28 ? 0.38090 0.33866 0.30816 -0.03223 -0.11788 -0.03482 171 SER C CA 409 C C . SER A 28 ? 0.38685 0.30053 0.32934 -0.06047 -0.13935 -0.06444 171 SER C C 410 O O . SER A 28 ? 0.40105 0.31570 0.35102 -0.06014 -0.14556 -0.08246 171 SER C O 411 C CB . SER A 28 ? 0.40064 0.33499 0.30963 -0.03165 -0.11043 -0.01891 171 SER C CB 412 O OG . SER A 28 ? 0.44383 0.33777 0.31237 -0.02991 -0.12220 -0.03373 171 SER C OG 418 N N . SER A 29 ? 0.39060 0.31259 0.34769 -0.03765 -0.16044 -0.05548 172 SER C N 419 C CA . SER A 29 ? 0.46429 0.37147 0.38773 -0.03160 -0.14297 -0.04488 172 SER C CA 420 C C . SER A 29 ? 0.45622 0.33984 0.35365 -0.00234 -0.12412 -0.03907 172 SER C C 421 O O . SER A 29 ? 0.46006 0.33431 0.30752 0.00221 -0.14946 -0.03427 172 SER C O 422 C CB . SER A 29 ? 0.52830 0.42548 0.40830 -0.05380 -0.14356 -0.03256 172 SER C CB 423 O OG . SER A 29 ? 0.58550 0.45873 0.48977 -0.03694 -0.11920 0.00965 172 SER C OG 429 N N . GLY A 30 ? 0.46814 0.33046 0.36858 0.02419 -0.11702 -0.04853 173 GLY C N 430 C CA . GLY A 30 ? 0.49353 0.34029 0.36712 0.04787 -0.12795 -0.05719 173 GLY C CA 431 C C . GLY A 30 ? 0.50367 0.35880 0.34324 0.06166 -0.14951 -0.07011 173 GLY C C 432 O O . GLY A 30 ? 0.51792 0.38420 0.35831 0.08109 -0.15657 -0.05908 173 GLY C O 436 N N . SER A 31 ? 0.51718 0.38079 0.34604 0.06178 -0.14766 -0.09742 174 SER C N 437 C CA . SER A 31 ? 0.52298 0.41185 0.36631 0.07923 -0.12097 -0.12347 174 SER C CA 438 C C . SER A 31 ? 0.43895 0.37671 0.30596 0.08072 -0.09623 -0.08934 174 SER C C 439 O O . SER A 31 ? 0.42072 0.35527 0.27173 0.06143 -0.12038 -0.09167 174 SER C O 440 C CB . SER A 31 ? 0.61204 0.46213 0.42572 0.10899 -0.13670 -0.14427 174 SER C CB 441 O OG . SER A 31 ? 0.69795 0.55725 0.50504 0.10546 -0.15919 -0.11153 174 SER C OG 447 N N . ILE A 32 ? 0.39474 0.38712 0.25511 0.06974 -0.08099 -0.08779 175 ILE C N 448 C CA . ILE A 32 ? 0.37041 0.38504 0.22850 0.06281 -0.06671 -0.08201 175 ILE C CA 449 C C . ILE A 32 ? 0.37125 0.41517 0.23835 0.04389 -0.03427 -0.06813 175 ILE C C 450 O O . ILE A 32 ? 0.33936 0.39923 0.23961 0.03158 -0.02255 -0.07220 175 ILE C O 451 C CB . ILE A 32 ? 0.36992 0.40774 0.22072 0.04216 -0.04543 -0.08215 175 ILE C CB 452 C CG1 . ILE A 32 ? 0.37100 0.39745 0.23657 0.06828 -0.04805 -0.07401 175 ILE C CG1 453 C CG2 . ILE A 32 ? 0.36173 0.43567 0.23192 0.02224 -0.01464 -0.07012 175 ILE C CG2 454 C CD1 . ILE A 32 ? 0.35235 0.41198 0.22398 0.07524 -0.07294 -0.08186 175 ILE C CD1 466 N N . GLY A 33 ? 0.37514 0.43534 0.25655 0.06056 -0.03375 -0.06037 176 GLY C N 467 C CA . GLY A 33 ? 0.36982 0.44254 0.25309 0.07556 -0.02228 -0.07218 176 GLY C CA 468 C C . GLY A 33 ? 0.38267 0.43247 0.26390 0.08893 -0.04937 -0.09568 176 GLY C C 469 O O . GLY A 33 ? 0.40167 0.48514 0.27044 0.07926 -0.05892 -0.12173 176 GLY C O 473 N N . SER A 34 ? 0.36891 0.35559 0.26592 0.07666 -0.07436 -0.09686 177 SER C N 474 C CA A SER A 34 ? 0.38506 0.36076 0.29283 0.08620 -0.07697 -0.08001 177 SER C CA 475 C CA B SER A 34 ? 0.37229 0.34261 0.27846 0.09778 -0.08284 -0.08836 177 SER C CA 476 C C . SER A 34 ? 0.36230 0.33291 0.26845 0.08302 -0.07196 -0.07150 177 SER C C 477 O O . SER A 34 ? 0.37169 0.34110 0.27675 0.10956 -0.09388 -0.05867 177 SER C O 478 C CB A SER A 34 ? 0.41675 0.38133 0.30937 0.09289 -0.07074 -0.07271 177 SER C CB 479 C CB B SER A 34 ? 0.38577 0.34273 0.28738 0.12305 -0.08379 -0.09845 177 SER C CB 480 O OG A SER A 34 ? 0.43301 0.39458 0.33067 0.08973 -0.07231 -0.06225 177 SER C OG 481 O OG B SER A 34 ? 0.39937 0.34205 0.29316 0.12920 -0.09041 -0.12105 177 SER C OG 492 N N . ASP A 35 ? 0.33165 0.32035 0.22909 0.05624 -0.07000 -0.06275 178 ASP C N 493 C CA . ASP A 35 ? 0.29898 0.29262 0.21187 0.07336 -0.07155 -0.05254 178 ASP C CA 494 C C . ASP A 35 ? 0.26994 0.29995 0.20405 0.06625 -0.07153 -0.03884 178 ASP C C 495 O O . ASP A 35 ? 0.29661 0.29382 0.21553 0.05436 -0.06685 -0.03848 178 ASP C O 496 C CB . ASP A 35 ? 0.29436 0.28039 0.20663 0.06871 -0.08298 -0.04587 178 ASP C CB 497 C CG . ASP A 35 ? 0.31582 0.30142 0.21939 0.03563 -0.09482 -0.05450 178 ASP C CG 498 O OD1 . ASP A 35 ? 0.32175 0.31396 0.23913 0.04280 -0.09233 -0.03063 178 ASP C OD1 499 O OD2 . ASP A 35 ? 0.33731 0.29946 0.25270 0.03972 -0.09175 -0.06575 178 ASP C OD2 504 N N . TYR A 36 ? 0.25772 0.32341 0.17894 0.04690 -0.04518 -0.03072 179 TYR C N 505 C CA . TYR A 36 ? 0.26759 0.32458 0.18898 0.07223 -0.05247 -0.02075 179 TYR C CA 506 C C . TYR A 36 ? 0.27108 0.33920 0.16680 0.04414 -0.02470 -0.02342 179 TYR C C 507 O O . TYR A 36 ? 0.26369 0.32431 0.17401 0.06361 -0.00669 -0.03001 179 TYR C O 508 C CB . TYR A 36 ? 0.29783 0.33683 0.24074 0.05771 -0.04238 -0.03879 179 TYR C CB 509 C CG . TYR A 36 ? 0.28760 0.38400 0.28724 0.06243 -0.05720 -0.04401 179 TYR C CG 510 C CD1 . TYR A 36 ? 0.27643 0.42074 0.30890 0.07094 -0.04058 -0.04583 179 TYR C CD1 511 C CD2 . TYR A 36 ? 0.30903 0.41178 0.31496 0.08145 -0.05034 -0.04416 179 TYR C CD2 512 C CE1 . TYR A 36 ? 0.29383 0.44681 0.33870 0.08206 -0.06824 -0.03702 179 TYR C CE1 513 C CE2 . TYR A 36 ? 0.32128 0.42242 0.32251 0.10066 -0.04340 -0.04716 179 TYR C CE2 514 C CZ . TYR A 36 ? 0.28846 0.43650 0.32349 0.10159 -0.05144 -0.01874 179 TYR C CZ 515 O OH . TYR A 36 ? 0.30394 0.46188 0.36095 0.09895 -0.04211 0.00811 179 TYR C OH 525 N N . VAL A 37 ? 0.24050 0.33103 0.17314 0.03349 -0.01580 -0.00808 180 VAL C N 526 C CA . VAL A 37 ? 0.21515 0.30169 0.15867 0.05062 -0.03838 0.01920 180 VAL C CA 527 C C . VAL A 37 ? 0.24789 0.30096 0.18056 0.04194 0.00558 0.02971 180 VAL C C 528 O O . VAL A 37 ? 0.26486 0.31794 0.18285 0.05785 0.01117 0.00879 180 VAL C O 529 C CB . VAL A 37 ? 0.23377 0.33594 0.17580 0.06025 -0.04911 -0.02496 180 VAL C CB 530 C CG1 . VAL A 37 ? 0.25740 0.36319 0.20764 0.10365 -0.06528 -0.01942 180 VAL C CG1 531 C CG2 . VAL A 37 ? 0.28697 0.36823 0.19661 0.02987 -0.04967 -0.05415 180 VAL C CG2 541 N N . HIS A 38 ? 0.23641 0.28560 0.19077 0.05309 0.00525 0.02652 181 HIS C N 542 C CA . HIS A 38 ? 0.20334 0.28295 0.18125 0.03645 -0.03097 0.04858 181 HIS C CA 543 C C . HIS A 38 ? 0.19247 0.28491 0.16342 0.02370 -0.01494 0.04268 181 HIS C C 544 O O . HIS A 38 ? 0.20357 0.30974 0.18575 0.02657 -0.01660 0.02251 181 HIS C O 545 C CB . HIS A 38 ? 0.20974 0.30335 0.17641 0.03561 -0.01152 0.01408 181 HIS C CB 546 C CG . HIS A 38 ? 0.18961 0.30810 0.17600 0.01922 -0.02179 -0.00003 181 HIS C CG 547 N ND1 . HIS A 38 ? 0.20340 0.30667 0.18947 0.05016 -0.03163 0.00094 181 HIS C ND1 548 C CD2 . HIS A 38 ? 0.19896 0.27418 0.17199 0.00900 -0.02943 0.00994 181 HIS C CD2 549 C CE1 . HIS A 38 ? 0.19540 0.30118 0.16906 0.06128 -0.02766 0.02685 181 HIS C CE1 550 N NE2 . HIS A 38 ? 0.21194 0.30198 0.16577 0.03921 -0.00939 0.02478 181 HIS C NE2 558 N N . TRP A 39 ? 0.19715 0.27112 0.17183 0.01019 -0.01128 0.03907 182 TRP C N 559 C CA . TRP A 39 ? 0.21138 0.29948 0.16047 0.03986 -0.01524 0.02152 182 TRP C CA 560 C C . TRP A 39 ? 0.21171 0.27721 0.15942 0.03678 -0.01462 0.02357 182 TRP C C 561 O O . TRP A 39 ? 0.21214 0.30162 0.17566 0.02385 -0.00115 -0.00557 182 TRP C O 562 C CB . TRP A 39 ? 0.21995 0.34016 0.16241 0.05087 -0.02346 0.01580 182 TRP C CB 563 C CG . TRP A 39 ? 0.22317 0.33446 0.15599 0.02992 0.00066 -0.00225 182 TRP C CG 564 C CD1 . TRP A 39 ? 0.24902 0.31278 0.15329 0.02341 0.01291 -0.01225 182 TRP C CD1 565 C CD2 . TRP A 39 ? 0.22315 0.34755 0.16232 0.03498 -0.00805 0.00149 182 TRP C CD2 566 N NE1 . TRP A 39 ? 0.26814 0.33470 0.16448 0.01058 0.00485 0.01484 182 TRP C NE1 567 C CE2 . TRP A 39 ? 0.21867 0.32957 0.16795 0.02322 0.00078 -0.00573 182 TRP C CE2 568 C CE3 . TRP A 39 ? 0.23157 0.33821 0.17010 0.03727 -0.02958 0.02466 182 TRP C CE3 569 C CZ2 . TRP A 39 ? 0.24442 0.35238 0.16777 0.04046 -0.01533 -0.01384 182 TRP C CZ2 570 C CZ3 . TRP A 39 ? 0.24272 0.33317 0.16401 0.04983 -0.02187 0.00908 182 TRP C CZ3 571 C CH2 . TRP A 39 ? 0.24531 0.34303 0.16573 0.05212 -0.01619 -0.01861 182 TRP C CH2 582 N N . TYR A 40 ? 0.21938 0.28822 0.17005 0.03952 -0.00423 0.02096 183 TYR C N 583 C CA . TYR A 40 ? 0.20274 0.30357 0.17853 0.03798 -0.00638 0.01279 183 TYR C CA 584 C C . TYR A 40 ? 0.22375 0.30795 0.17688 0.01773 -0.00518 0.01979 183 TYR C C 585 O O . TYR A 40 ? 0.24559 0.31133 0.19554 0.02690 -0.01697 0.03610 183 TYR C O 586 C CB . TYR A 40 ? 0.19152 0.33260 0.18895 0.03646 -0.00752 0.01922 183 TYR C CB 587 C CG . TYR A 40 ? 0.17789 0.30115 0.18227 0.02705 -0.00175 0.03470 183 TYR C CG 588 C CD1 . TYR A 40 ? 0.19202 0.29386 0.20571 0.02223 -0.01231 0.03137 183 TYR C CD1 589 C CD2 . TYR A 40 ? 0.19285 0.32112 0.18600 0.04244 -0.03991 0.00201 183 TYR C CD2 590 C CE1 . TYR A 40 ? 0.19320 0.28716 0.20949 0.00691 -0.01130 0.02393 183 TYR C CE1 591 C CE2 . TYR A 40 ? 0.19182 0.31934 0.18370 0.05404 -0.03940 0.01286 183 TYR C CE2 592 C CZ . TYR A 40 ? 0.19088 0.31474 0.17607 0.03312 -0.02165 0.00898 183 TYR C CZ 593 O OH . TYR A 40 ? 0.19972 0.33575 0.18825 0.05011 -0.05126 0.00377 183 TYR C OH 603 N N . GLN A 41 ? 0.19054 0.30894 0.18222 0.01529 -0.01243 0.02275 184 GLN C N 604 C CA . GLN A 41 ? 0.20930 0.31453 0.18509 0.00153 -0.02467 0.05014 184 GLN C CA 605 C C . GLN A 41 ? 0.19473 0.32285 0.16871 0.01104 -0.03552 0.05109 184 GLN C C 606 O O . GLN A 41 ? 0.19530 0.29799 0.18927 0.03441 -0.01607 0.03054 184 GLN C O 607 C CB . GLN A 41 ? 0.22439 0.33261 0.21005 -0.01448 -0.02173 0.04774 184 GLN C CB 608 C CG . GLN A 41 ? 0.24640 0.33198 0.19728 -0.00505 -0.03960 0.04060 184 GLN C CG 609 C CD . GLN A 41 ? 0.25429 0.32078 0.19535 -0.02696 -0.03718 0.03775 184 GLN C CD 610 O OE1 . GLN A 41 ? 0.30749 0.33541 0.24191 -0.04554 -0.05747 0.03819 184 GLN C OE1 611 N NE2 . GLN A 41 ? 0.32230 0.33747 0.19894 -0.03132 -0.03616 0.03432 184 GLN C NE2 620 N N . GLN A 42 ? 0.18776 0.33322 0.17548 0.02550 -0.02176 0.04030 185 GLN C N 621 C CA . GLN A 42 ? 0.18440 0.31044 0.18103 0.02774 -0.00398 0.03500 185 GLN C CA 622 C C . GLN A 42 ? 0.22979 0.31494 0.22569 0.02649 -0.02845 0.02295 185 GLN C C 623 O O . GLN A 42 ? 0.23628 0.31938 0.22155 0.02630 -0.03636 -0.00120 185 GLN C O 624 C CB . GLN A 42 ? 0.21155 0.30478 0.19425 0.02672 0.02430 0.05345 185 GLN C CB 625 C CG . GLN A 42 ? 0.25467 0.32116 0.20617 -0.00578 0.03831 0.05322 185 GLN C CG 626 C CD . GLN A 42 ? 0.27857 0.34605 0.22149 -0.00426 0.01811 0.03147 185 GLN C CD 627 O OE1 . GLN A 42 ? 0.26904 0.35496 0.20868 -0.00815 0.00277 0.01620 185 GLN C OE1 628 N NE2 . GLN A 42 ? 0.28273 0.33931 0.22311 0.00693 0.00910 0.02680 185 GLN C NE2 637 N N . ARG A 43 ? 0.27273 0.30819 0.25828 0.02741 -0.04253 0.04615 186 ARG C N 638 C CA . ARG A 43 ? 0.35340 0.37419 0.34012 0.05899 -0.06584 0.04575 186 ARG C CA 639 C C . ARG A 43 ? 0.34288 0.41596 0.36764 0.09131 -0.07613 0.03876 186 ARG C C 640 O O . ARG A 43 ? 0.31282 0.38965 0.31072 0.09809 -0.04600 0.04802 186 ARG C O 641 C CB . ARG A 43 ? 0.43570 0.42471 0.40847 0.03947 -0.07883 0.04357 186 ARG C CB 642 C CG . ARG A 43 ? 0.49598 0.48830 0.50046 0.02566 -0.05667 0.03881 186 ARG C CG 643 C CD . ARG A 43 ? 0.60168 0.58863 0.58972 0.01605 -0.03874 0.03788 186 ARG C CD 644 N NE . ARG A 43 ? 0.57548 0.54979 0.54946 -0.01107 -0.04035 0.05461 186 ARG C NE 645 C CZ . ARG A 43 ? 0.54541 0.50955 0.48345 0.00345 -0.04770 0.06295 186 ARG C CZ 646 N NH1 . ARG A 43 ? 0.53172 0.51734 0.51611 -0.02219 -0.00103 0.07613 186 ARG C NH1 647 N NH2 . ARG A 43 ? 0.54796 0.50974 0.51986 0.05366 -0.07636 0.04290 186 ARG C NH2 661 N N . PRO A 44 ? 0.37610 0.47634 0.41948 0.13247 -0.08848 0.01058 187 PRO C N 662 C CA . PRO A 44 ? 0.40446 0.50475 0.45566 0.14116 -0.07554 0.00369 187 PRO C CA 663 C C . PRO A 44 ? 0.39483 0.47272 0.46033 0.15066 -0.03523 -0.01067 187 PRO C C 664 O O . PRO A 44 ? 0.41446 0.43507 0.49718 0.14154 -0.00843 -0.01244 187 PRO C O 665 C CB . PRO A 44 ? 0.45324 0.51485 0.48047 0.13361 -0.08261 0.01019 187 PRO C CB 666 C CG . PRO A 44 ? 0.44024 0.50226 0.46321 0.13609 -0.06940 0.00575 187 PRO C CG 667 C CD . PRO A 44 ? 0.43260 0.50196 0.45203 0.13349 -0.07281 0.01023 187 PRO C CD 675 N N . GLY A 45 ? 0.38264 0.47435 0.43963 0.12684 -0.02844 -0.02640 188 GLY C N 676 C CA . GLY A 45 ? 0.41202 0.45055 0.41689 0.09798 -0.03098 -0.01673 188 GLY C CA 677 C C . GLY A 45 ? 0.38984 0.42290 0.35813 0.11983 -0.05360 -0.02425 188 GLY C C 678 O O . GLY A 45 ? 0.42126 0.45700 0.35159 0.12065 -0.06122 -0.05517 188 GLY C O 682 N N . SER A 46 ? 0.37459 0.40008 0.36510 0.12911 -0.03286 0.00359 189 SER C N 683 C CA . SER A 46 ? 0.36067 0.38833 0.35488 0.10268 -0.01553 0.02017 189 SER C CA 684 C C . SER A 46 ? 0.27963 0.37466 0.28186 0.08451 -0.02323 0.02029 189 SER C C 685 O O . SER A 46 ? 0.26202 0.35577 0.25900 0.07739 -0.05162 0.00024 189 SER C O 686 C CB . SER A 46 ? 0.43687 0.37095 0.36667 0.11271 -0.00688 0.03208 189 SER C CB 687 O OG . SER A 46 ? 0.50793 0.40429 0.40513 0.09335 -0.01244 0.02813 189 SER C OG 693 N N . SER A 47 ? 0.25038 0.35039 0.23118 0.07389 -0.01410 0.01728 190 SER C N 694 C CA . SER A 47 ? 0.23872 0.34119 0.17547 0.03517 -0.02729 0.01869 190 SER C CA 695 C C . SER A 47 ? 0.24042 0.29680 0.17639 0.04919 -0.01883 0.03049 190 SER C C 696 O O . SER A 47 ? 0.26954 0.29328 0.21169 0.03960 -0.01376 0.00960 190 SER C O 697 C CB . SER A 47 ? 0.25341 0.36471 0.18071 0.03129 -0.02143 0.01594 190 SER C CB 698 O OG . SER A 47 ? 0.28185 0.37944 0.21050 0.00655 -0.01899 0.00258 190 SER C OG 704 N N . PRO A 48 ? 0.22561 0.28645 0.17886 -0.00072 0.00571 0.03288 191 PRO C N 705 C CA . PRO A 48 ? 0.21203 0.29089 0.15924 -0.00652 0.00789 0.03897 191 PRO C CA 706 C C . PRO A 48 ? 0.20985 0.29846 0.18821 0.02224 -0.03392 0.02543 191 PRO C C 707 O O . PRO A 48 ? 0.22510 0.33060 0.19972 0.03491 -0.02570 0.00975 191 PRO C O 708 C CB . PRO A 48 ? 0.23947 0.28111 0.17862 -0.03030 -0.00650 0.02645 191 PRO C CB 709 C CG . PRO A 48 ? 0.24706 0.26788 0.19074 -0.01163 -0.01129 0.05398 191 PRO C CG 710 C CD . PRO A 48 ? 0.24595 0.28053 0.19249 -0.00264 -0.00369 0.03661 191 PRO C CD 718 N N . THR A 49 ? 0.21240 0.28527 0.19877 0.04084 -0.02123 0.03017 192 THR C N 719 C CA . THR A 49 ? 0.24011 0.30843 0.20998 0.01963 -0.01611 0.03339 192 THR C CA 720 C C . THR A 49 ? 0.22048 0.33021 0.19313 0.03191 -0.00656 0.03240 192 THR C C 721 O O . THR A 49 ? 0.21173 0.30979 0.19148 0.03157 -0.02196 0.00987 192 THR C O 722 C CB . THR A 49 ? 0.31003 0.29841 0.23510 0.01223 -0.00856 0.02104 192 THR C CB 723 O OG1 . THR A 49 ? 0.33496 0.27478 0.25495 -0.00622 -0.01116 0.01159 192 THR C OG1 724 C CG2 . THR A 49 ? 0.32158 0.32487 0.23850 0.03539 -0.00056 0.03806 192 THR C CG2 732 N N . THR A 50 ? 0.21004 0.33854 0.17639 0.04059 0.01486 0.03133 193 THR C N 733 C CA . THR A 50 ? 0.20848 0.35205 0.16846 0.02094 -0.00319 0.03355 193 THR C CA 734 C C . THR A 50 ? 0.18938 0.36279 0.19141 -0.00373 -0.03090 0.03120 193 THR C C 735 O O . THR A 50 ? 0.22601 0.35831 0.21204 -0.03068 -0.01562 0.03320 193 THR C O 736 C CB . THR A 50 ? 0.23082 0.37017 0.18995 0.01760 0.00326 0.04240 193 THR C CB 737 O OG1 . THR A 50 ? 0.22139 0.39950 0.19106 0.02726 -0.01772 0.06081 193 THR C OG1 738 C CG2 . THR A 50 ? 0.21332 0.36057 0.19930 0.02128 -0.00009 0.02968 193 THR C CG2 746 N N . VAL A 51 ? 0.19522 0.35629 0.17560 -0.00578 -0.02552 0.03194 194 VAL C N 747 C CA . VAL A 51 ? 0.19948 0.36208 0.17456 0.01987 0.00622 0.03403 194 VAL C CA 748 C C . VAL A 51 ? 0.19344 0.37418 0.17310 0.03029 0.00675 0.03971 194 VAL C C 749 O O . VAL A 51 ? 0.20273 0.40984 0.19897 0.01377 0.02567 0.05755 194 VAL C O 750 C CB . VAL A 51 ? 0.23177 0.35478 0.20738 0.01412 -0.00881 0.04354 194 VAL C CB 751 C CG1 . VAL A 51 ? 0.27084 0.36893 0.24447 0.02900 -0.02089 0.03215 194 VAL C CG1 752 C CG2 . VAL A 51 ? 0.25011 0.33749 0.22074 -0.00631 -0.02239 0.06587 194 VAL C CG2 762 N N . ILE A 52 ? 0.21987 0.34596 0.18488 0.02255 0.00666 0.02341 195 ILE C N 763 C CA . ILE A 52 ? 0.21464 0.35454 0.17464 0.03672 0.00867 0.03172 195 ILE C CA 764 C C . ILE A 52 ? 0.20116 0.36905 0.16605 0.03024 0.00898 0.03978 195 ILE C C 765 O O . ILE A 52 ? 0.22329 0.38873 0.16985 0.01973 0.00847 0.04069 195 ILE C O 766 C CB . ILE A 52 ? 0.25688 0.36424 0.17008 0.04703 -0.00374 0.00907 195 ILE C CB 767 C CG1 . ILE A 52 ? 0.29291 0.39584 0.17866 0.02141 -0.00275 0.01747 195 ILE C CG1 768 C CG2 . ILE A 52 ? 0.25972 0.37602 0.17982 0.03879 -0.01078 -0.00645 195 ILE C CG2 769 C CD1 . ILE A 52 ? 0.32672 0.42068 0.17033 0.00916 -0.00236 0.01913 195 ILE C CD1 781 N N . TYR A 53 ? 0.20531 0.35328 0.15589 0.01895 0.02957 0.04830 196 TYR C N 782 C CA . TYR A 53 ? 0.23293 0.37039 0.16841 0.01679 -0.01549 0.04821 196 TYR C CA 783 C C . TYR A 53 ? 0.23444 0.38818 0.17569 0.01470 0.00805 0.07346 196 TYR C C 784 O O . TYR A 53 ? 0.24432 0.39118 0.19495 0.02530 -0.00673 0.06071 196 TYR C O 785 C CB . TYR A 53 ? 0.25261 0.39862 0.16787 0.01360 -0.00311 0.05933 196 TYR C CB 786 C CG . TYR A 53 ? 0.22414 0.42722 0.19274 0.02052 0.00559 0.02919 196 TYR C CG 787 C CD1 . TYR A 53 ? 0.22233 0.43059 0.20971 0.01737 0.00401 -0.01208 196 TYR C CD1 788 C CD2 . TYR A 53 ? 0.21088 0.45961 0.21374 0.02820 0.01266 0.02071 196 TYR C CD2 789 C CE1 . TYR A 53 ? 0.24621 0.43509 0.25303 0.01808 -0.03263 -0.00817 196 TYR C CE1 790 C CE2 . TYR A 53 ? 0.22466 0.47885 0.23555 0.02106 -0.00597 0.02722 196 TYR C CE2 791 C CZ . TYR A 53 ? 0.23695 0.45717 0.24227 0.01416 -0.00823 0.02146 196 TYR C CZ 792 O OH . TYR A 53 ? 0.24095 0.50919 0.28173 0.00109 -0.00359 0.04366 196 TYR C OH 802 N N . GLU A 54 ? 0.23897 0.41200 0.17872 0.03799 -0.01009 0.05329 197 GLU C N 803 C CA . GLU A 54 ? 0.25126 0.42296 0.21959 0.03399 0.01046 0.03418 197 GLU C CA 804 C C . GLU A 54 ? 0.27603 0.39706 0.22611 0.04081 0.02387 0.02358 197 GLU C C 805 O O . GLU A 54 ? 0.31059 0.40952 0.22788 0.07549 0.04302 0.02510 197 GLU C O 806 C CB . GLU A 54 ? 0.27240 0.47551 0.28010 0.04010 -0.00133 0.02600 197 GLU C CB 807 C CG . GLU A 54 ? 0.28800 0.50083 0.33256 0.07037 -0.02111 0.02652 197 GLU C CG 808 C CD . GLU A 54 ? 0.32917 0.53763 0.39689 0.11118 -0.01369 0.02221 197 GLU C CD 809 O OE1 . GLU A 54 ? 0.32015 0.55096 0.36642 0.11707 -0.05182 0.01592 197 GLU C OE1 810 O OE2 . GLU A 54 ? 0.34206 0.57904 0.43035 0.09084 0.01534 0.05165 197 GLU C OE2 817 N N . ASP A 55 ? 0.24625 0.38938 0.21499 0.04497 0.01187 0.00089 198 ASP C N 818 C CA . ASP A 55 ? 0.27722 0.42006 0.19746 0.07122 0.03051 -0.00127 198 ASP C CA 819 C C . ASP A 55 ? 0.27448 0.44504 0.20071 0.07679 0.02195 0.01920 198 ASP C C 820 O O . ASP A 55 ? 0.28249 0.46214 0.19125 0.06530 0.00454 0.02395 198 ASP C O 821 C CB . ASP A 55 ? 0.33954 0.44079 0.21728 0.10918 0.05539 0.00421 198 ASP C CB 822 C CG . ASP A 55 ? 0.32156 0.45458 0.26226 0.13626 0.07560 -0.02010 198 ASP C CG 823 O OD1 . ASP A 55 ? 0.32199 0.45497 0.21320 0.12938 0.04304 -0.05322 198 ASP C OD1 824 O OD2 . ASP A 55 ? 0.35463 0.49085 0.34048 0.13102 0.05122 0.00991 198 ASP C OD2 829 N N . ASN A 56 ? 0.28180 0.48801 0.21038 0.06852 0.02927 0.04146 199 ASN C N 830 C CA . ASN A 56 ? 0.26872 0.51740 0.21227 0.06033 0.05365 0.02419 199 ASN C CA 831 C C . ASN A 56 ? 0.27126 0.49225 0.20321 0.05469 0.04229 0.04685 199 ASN C C 832 O O . ASN A 56 ? 0.30010 0.48618 0.22733 0.01790 0.04255 0.06305 199 ASN C O 833 C CB . ASN A 56 ? 0.29242 0.58055 0.22263 0.05939 0.06936 0.00099 199 ASN C CB 834 C CG . ASN A 56 ? 0.34227 0.63490 0.29501 0.09644 0.08946 -0.02742 199 ASN C CG 835 O OD1 . ASN A 56 ? 0.31401 0.62268 0.29309 0.11093 0.08187 -0.00907 199 ASN C OD1 836 N ND2 . ASN A 56 ? 0.44834 0.73603 0.40248 0.11241 0.07050 -0.05600 199 ASN C ND2 843 N N . GLN A 57 ? 0.26213 0.48451 0.20336 0.05314 0.03720 0.03037 200 GLN C N 844 C CA . GLN A 57 ? 0.26296 0.47895 0.22692 0.02384 0.01770 0.04893 200 GLN C CA 845 C C . GLN A 57 ? 0.25083 0.46284 0.22938 0.00985 0.00367 0.06226 200 GLN C C 846 O O . GLN A 57 ? 0.22623 0.46015 0.22119 0.00063 0.01537 0.08892 200 GLN C O 847 C CB . GLN A 57 ? 0.22745 0.48691 0.26817 0.02806 0.02560 0.05696 200 GLN C CB 848 C CG . GLN A 57 ? 0.26713 0.53910 0.30575 0.01854 0.03787 0.05710 200 GLN C CG 849 C CD . GLN A 57 ? 0.29035 0.57741 0.32020 0.02388 0.02696 0.05164 200 GLN C CD 850 O OE1 . GLN A 57 ? 0.32133 0.59118 0.37264 0.03132 0.04248 0.02997 200 GLN C OE1 851 N NE2 . GLN A 57 ? 0.29962 0.59062 0.28169 0.01543 0.02395 0.06128 200 GLN C NE2 860 N N A ARG A 58 ? 0.26338 0.48320 0.24749 0.01401 -0.00244 0.06090 201 ARG C N 861 N N B ARG A 58 ? 0.25492 0.48034 0.25382 0.01167 -0.00310 0.06420 201 ARG C N 862 C CA A ARG A 58 ? 0.22245 0.49890 0.28397 -0.01224 -0.00896 0.05292 201 ARG C CA 863 C CA B ARG A 58 ? 0.23187 0.49719 0.28752 -0.00838 -0.00185 0.05702 201 ARG C CA 864 C C A ARG A 58 ? 0.21774 0.50407 0.31157 0.00072 -0.02120 0.02364 201 ARG C C 865 C C B ARG A 58 ? 0.22780 0.49860 0.30867 0.00175 -0.01549 0.03067 201 ARG C C 866 O O A ARG A 58 ? 0.21500 0.50051 0.32399 0.00018 -0.01603 0.02080 201 ARG C O 867 O O B ARG A 58 ? 0.22600 0.48808 0.31478 0.00489 -0.00894 0.02070 201 ARG C O 868 C CB A ARG A 58 ? 0.28933 0.55569 0.34812 0.00587 0.00106 0.07874 201 ARG C CB 869 C CB B ARG A 58 ? 0.28337 0.55093 0.34742 -0.00481 0.01342 0.07760 201 ARG C CB 870 C CG A ARG A 58 ? 0.34168 0.60275 0.35981 0.01249 0.02099 0.11256 201 ARG C CG 871 C CG B ARG A 58 ? 0.33584 0.59278 0.34949 -0.01016 0.02769 0.10474 201 ARG C CG 872 C CD A ARG A 58 ? 0.38690 0.65121 0.38970 0.00411 0.02654 0.12998 201 ARG C CD 873 C CD B ARG A 58 ? 0.36372 0.62924 0.38071 -0.01089 0.03097 0.12413 201 ARG C CD 874 N NE A ARG A 58 ? 0.44425 0.69196 0.42227 0.00234 0.02726 0.13252 201 ARG C NE 875 N NE B ARG A 58 ? 0.41962 0.68130 0.42988 -0.01042 0.02817 0.13070 201 ARG C NE 876 C CZ A ARG A 58 ? 0.47690 0.74821 0.47068 0.00318 0.06498 0.12712 201 ARG C CZ 877 C CZ B ARG A 58 ? 0.44682 0.73702 0.43735 -0.01217 0.03594 0.13925 201 ARG C CZ 878 N NH1 A ARG A 58 ? 0.49095 0.76974 0.50054 0.01532 0.10824 0.13141 201 ARG C NH1 879 N NH1 B ARG A 58 ? 0.41981 0.74250 0.49814 -0.01034 0.04120 0.15040 201 ARG C NH1 880 N NH2 A ARG A 58 ? 0.49646 0.81378 0.52037 -0.00179 0.04633 0.11490 201 ARG C NH2 881 N NH2 B ARG A 58 ? 0.48860 0.80603 0.51704 -0.01017 0.03025 0.13424 201 ARG C NH2 908 N N . PRO A 59 ? 0.23091 0.49335 0.31998 -0.00312 -0.03017 0.02180 202 PRO C N 909 C CA . PRO A 59 ? 0.23174 0.49811 0.35354 -0.00042 -0.03130 0.01833 202 PRO C CA 910 C C . PRO A 59 ? 0.28903 0.52515 0.44791 -0.02374 -0.04281 0.03189 202 PRO C C 911 O O . PRO A 59 ? 0.26480 0.48395 0.41614 -0.05797 -0.01307 0.05793 202 PRO C O 912 C CB . PRO A 59 ? 0.22610 0.48588 0.33272 0.01199 -0.00174 0.01330 202 PRO C CB 913 C CG . PRO A 59 ? 0.23463 0.46650 0.32731 0.00766 0.00422 0.02139 202 PRO C CG 914 C CD . PRO A 59 ? 0.22632 0.46610 0.31870 0.00026 -0.00412 0.02622 202 PRO C CD 922 N N . SER A 60 ? 0.32604 0.59170 0.53329 -0.02821 -0.07446 0.04161 203 SER C N 923 C CA . SER A 60 ? 0.43100 0.65447 0.59047 -0.06071 -0.06859 0.06061 203 SER C CA 924 C C . SER A 60 ? 0.41765 0.60852 0.55808 -0.10425 -0.06874 0.06252 203 SER C C 925 O O . SER A 60 ? 0.42581 0.60892 0.54765 -0.10506 -0.04380 0.04259 203 SER C O 926 C CB . SER A 60 ? 0.52803 0.74373 0.70212 -0.05212 -0.05735 0.07743 203 SER C CB 927 O OG . SER A 60 ? 0.65672 0.85843 0.82740 -0.05524 -0.04470 0.08391 203 SER C OG 933 N N . GLY A 61 ? 0.38749 0.55372 0.52498 -0.10445 -0.08641 0.08035 204 GLY C N 934 C CA . GLY A 61 ? 0.35146 0.53278 0.48356 -0.09319 -0.09354 0.09443 204 GLY C CA 935 C C . GLY A 61 ? 0.34055 0.51133 0.44742 -0.07068 -0.08812 0.09059 204 GLY C C 936 O O . GLY A 61 ? 0.41496 0.52254 0.48352 -0.05951 -0.09455 0.06797 204 GLY C O 940 N N . VAL A 62 ? 0.28300 0.48691 0.38390 -0.07340 -0.05617 0.09742 205 VAL C N 941 C CA . VAL A 62 ? 0.29469 0.48752 0.35140 -0.06089 -0.01669 0.10486 205 VAL C CA 942 C C . VAL A 62 ? 0.33187 0.51386 0.34889 -0.09523 -0.01380 0.11998 205 VAL C C 943 O O . VAL A 62 ? 0.33796 0.51897 0.31671 -0.10057 -0.02242 0.10642 205 VAL C O 944 C CB . VAL A 62 ? 0.27642 0.44491 0.31274 -0.03229 -0.01324 0.08936 205 VAL C CB 945 C CG1 . VAL A 62 ? 0.28134 0.42985 0.30162 -0.00913 -0.02512 0.10613 205 VAL C CG1 946 C CG2 . VAL A 62 ? 0.31200 0.41989 0.31256 -0.02007 0.02043 0.08471 205 VAL C CG2 956 N N . PRO A 63 ? 0.37729 0.52274 0.37092 -0.09862 -0.01688 0.14599 206 PRO C N 957 C CA . PRO A 63 ? 0.40788 0.54556 0.39162 -0.09349 -0.02541 0.13382 206 PRO C CA 958 C C . PRO A 63 ? 0.37135 0.57637 0.37644 -0.09385 -0.03013 0.13482 206 PRO C C 959 O O . PRO A 63 ? 0.35084 0.55502 0.33423 -0.09531 -0.04074 0.14433 206 PRO C O 960 C CB . PRO A 63 ? 0.42756 0.52325 0.37984 -0.06870 -0.03322 0.12857 206 PRO C CB 961 C CG . PRO A 63 ? 0.44757 0.55125 0.44851 -0.06103 -0.04040 0.15370 206 PRO C CG 962 C CD . PRO A 63 ? 0.44249 0.54036 0.40273 -0.07415 -0.03780 0.15608 206 PRO C CD 970 N N . ASP A 64 ? 0.35655 0.66447 0.43320 -0.09868 -0.01675 0.16845 207 ASP C N 971 C CA . ASP A 64 ? 0.44153 0.74047 0.49530 -0.07006 0.03013 0.17104 207 ASP C CA 972 C C . ASP A 64 ? 0.39177 0.66304 0.39595 -0.04469 0.03052 0.16893 207 ASP C C 973 O O . ASP A 64 ? 0.33633 0.64349 0.35938 -0.00276 0.02378 0.15866 207 ASP C O 974 C CB . ASP A 64 ? 0.61471 0.91465 0.68839 -0.06425 0.05620 0.17036 207 ASP C CB 975 C CG . ASP A 64 ? 0.77603 1.05185 0.81326 -0.06262 0.06561 0.17589 207 ASP C CG 976 O OD1 . ASP A 64 ? 0.93999 1.22452 0.98043 -0.06453 0.08258 0.17691 207 ASP C OD1 977 O OD2 . ASP A 64 ? 0.80095 1.07401 0.82487 -0.05801 0.05003 0.17584 207 ASP C OD2 982 N N . ARG A 65 ? 0.35668 0.60857 0.36820 -0.04284 0.02467 0.16441 208 ARG C N 983 C CA . ARG A 65 ? 0.37536 0.57727 0.36260 -0.02437 -0.00280 0.14420 208 ARG C CA 984 C C . ARG A 65 ? 0.33483 0.51575 0.28426 0.02444 -0.00758 0.09821 208 ARG C C 985 O O . ARG A 65 ? 0.31550 0.46672 0.23650 0.06147 -0.00563 0.07506 208 ARG C O 986 C CB . ARG A 65 ? 0.45118 0.63085 0.42119 -0.02878 -0.04123 0.17557 208 ARG C CB 987 C CG . ARG A 65 ? 0.52602 0.67454 0.47280 -0.02158 -0.03748 0.17197 208 ARG C CG 988 C CD . ARG A 65 ? 0.60859 0.71915 0.51425 -0.00380 -0.02278 0.17941 208 ARG C CD 989 N NE . ARG A 65 ? 0.52942 0.64709 0.46929 0.01913 -0.01176 0.19594 208 ARG C NE 990 C CZ . ARG A 65 ? 0.45465 0.57227 0.44368 0.01422 -0.03039 0.20593 208 ARG C CZ 991 N NH1 . ARG A 65 ? 0.48714 0.55387 0.44112 0.05345 -0.02452 0.19730 208 ARG C NH1 992 N NH2 . ARG A 65 ? 0.36463 0.55412 0.47234 -0.00595 -0.06342 0.19844 208 ARG C NH2 1006 N N . PHE A 66 ? 0.27272 0.50272 0.21954 0.00776 -0.01053 0.06680 209 PHE C N 1007 C CA . PHE A 66 ? 0.28958 0.48045 0.21390 0.03314 -0.01676 0.03977 209 PHE C CA 1008 C C . PHE A 66 ? 0.26921 0.48052 0.20605 0.04324 -0.00476 0.02930 209 PHE C C 1009 O O . PHE A 66 ? 0.25933 0.48607 0.22643 0.02970 0.00207 0.02412 209 PHE C O 1010 C CB . PHE A 66 ? 0.27194 0.46129 0.21621 0.02137 -0.01670 0.03335 209 PHE C CB 1011 C CG . PHE A 66 ? 0.26004 0.45269 0.24224 0.01163 -0.01078 0.02713 209 PHE C CG 1012 C CD1 . PHE A 66 ? 0.23620 0.45030 0.26325 0.01129 0.00270 0.01850 209 PHE C CD1 1013 C CD2 . PHE A 66 ? 0.26022 0.43888 0.23798 -0.01506 -0.01711 0.03690 209 PHE C CD2 1014 C CE1 . PHE A 66 ? 0.29514 0.44076 0.29653 -0.00772 0.03806 0.01569 209 PHE C CE1 1015 C CE2 . PHE A 66 ? 0.27362 0.43192 0.24475 -0.01708 0.00511 0.04152 209 PHE C CE2 1016 C CZ . PHE A 66 ? 0.28280 0.42110 0.26001 -0.02264 0.02776 0.02917 209 PHE C CZ 1026 N N . SER A 67 ? 0.31578 0.47892 0.18105 0.05401 0.00091 0.04905 210 SER C N 1027 C CA . SER A 67 ? 0.31839 0.46986 0.20434 0.06346 0.01444 0.06971 210 SER C CA 1028 C C . SER A 67 ? 0.30737 0.45141 0.22771 0.08013 0.00647 0.06804 210 SER C C 1029 O O . SER A 67 ? 0.29585 0.46273 0.23732 0.06956 -0.00011 0.08274 210 SER C O 1030 C CB . SER A 67 ? 0.33870 0.48562 0.22432 0.05751 0.00751 0.09829 210 SER C CB 1031 O OG . SER A 67 ? 0.35781 0.50456 0.23754 0.03619 0.02508 0.11180 210 SER C OG 1037 N N . GLY A 68 ? 0.30660 0.45365 0.23821 0.09252 0.01000 0.04829 211 GLY C N 1038 C CA . GLY A 68 ? 0.29396 0.45486 0.24120 0.12379 -0.01429 0.05129 211 GLY C CA 1039 C C . GLY A 68 ? 0.31181 0.45854 0.24879 0.09954 0.00846 0.05031 211 GLY C C 1040 O O . GLY A 68 ? 0.30439 0.45175 0.28032 0.06266 0.03498 0.03907 211 GLY C O 1044 N N . SER A 69 ? 0.34025 0.46716 0.23268 0.10019 0.02052 0.03697 212 SER C N 1045 C CA . SER A 69 ? 0.37780 0.46970 0.24309 0.11349 0.01698 0.00488 212 SER C CA 1046 C C . SER A 69 ? 0.37104 0.44700 0.24385 0.12142 0.00975 -0.02618 212 SER C C 1047 O O . SER A 69 ? 0.37037 0.44749 0.24616 0.10579 -0.00983 -0.02064 212 SER C O 1048 C CB . SER A 69 ? 0.43160 0.49166 0.22657 0.10207 -0.01357 0.01413 212 SER C CB 1049 O OG . SER A 69 ? 0.47131 0.52165 0.24594 0.06705 -0.03028 0.00681 212 SER C OG 1055 N N . ILE A 70 ? 0.40648 0.44520 0.24721 0.11797 0.00562 -0.02734 213 ILE C N 1056 C CA . ILE A 70 ? 0.43399 0.45397 0.22954 0.09898 0.01505 -0.04399 213 ILE C CA 1057 C C . ILE A 70 ? 0.47925 0.46795 0.23538 0.10680 0.04621 -0.08091 213 ILE C C 1058 O O . ILE A 70 ? 0.46019 0.48039 0.22591 0.09722 0.07864 -0.08072 213 ILE C O 1059 C CB . ILE A 70 ? 0.43456 0.47255 0.24303 0.06537 -0.02493 -0.01248 213 ILE C CB 1060 C CG1 . ILE A 70 ? 0.42142 0.49332 0.27094 0.07022 -0.01217 -0.00169 213 ILE C CG1 1061 C CG2 . ILE A 70 ? 0.45503 0.49063 0.25750 0.07098 -0.04133 0.01148 213 ILE C CG2 1062 C CD1 . ILE A 70 ? 0.41145 0.52672 0.27435 0.10287 -0.01759 -0.00791 213 ILE C CD1 1074 N N . ASP A 71 ? 0.52659 0.45111 0.24185 0.11551 -0.00308 -0.09293 214 ASP C N 1075 C CA . ASP A 71 ? 0.59594 0.47149 0.26706 0.09752 -0.03582 -0.10372 214 ASP C CA 1076 C C . ASP A 71 ? 0.59304 0.43576 0.25874 0.09569 -0.04138 -0.10709 214 ASP C C 1077 O O . ASP A 71 ? 0.58052 0.38512 0.25747 0.10300 -0.04789 -0.06698 214 ASP C O 1078 C CB . ASP A 71 ? 0.66333 0.52426 0.28709 0.11041 -0.06073 -0.09434 214 ASP C CB 1079 C CG . ASP A 71 ? 0.73045 0.56646 0.32383 0.12025 -0.06622 -0.07799 214 ASP C CG 1080 O OD1 . ASP A 71 ? 0.73378 0.56406 0.32779 0.12203 -0.05349 -0.09302 214 ASP C OD1 1081 O OD2 . ASP A 71 ? 0.79273 0.62361 0.37793 0.11749 -0.07141 -0.07594 214 ASP C OD2 1086 N N . SER A 72 ? 0.64056 0.47763 0.26137 0.11460 -0.00903 -0.14281 215 SER C N 1087 C CA . SER A 72 ? 0.72565 0.52726 0.30168 0.12684 0.00618 -0.13807 215 SER C CA 1088 C C . SER A 72 ? 0.72169 0.50113 0.30087 0.11306 -0.00890 -0.13046 215 SER C C 1089 O O . SER A 72 ? 0.69974 0.47543 0.29712 0.08494 -0.01498 -0.13426 215 SER C O 1090 C CB . SER A 72 ? 0.78844 0.56934 0.36190 0.14408 0.00282 -0.10607 215 SER C CB 1091 O OG . SER A 72 ? 0.88131 0.63852 0.45238 0.14307 -0.00528 -0.08688 215 SER C OG 1097 N N . SER A 73 ? 0.73947 0.51136 0.33666 0.11323 -0.03216 -0.11427 216 SER C N 1098 C CA . SER A 73 ? 0.77612 0.52743 0.36143 0.09916 -0.05577 -0.11368 216 SER C CA 1099 C C . SER A 73 ? 0.74732 0.50810 0.35347 0.07308 -0.09835 -0.12284 216 SER C C 1100 O O . SER A 73 ? 0.77843 0.49157 0.36556 0.05889 -0.10412 -0.11244 216 SER C O 1101 C CB . SER A 73 ? 0.85347 0.57036 0.35581 0.09943 -0.04293 -0.11748 216 SER C CB 1102 O OG . SER A 73 ? 0.89170 0.59974 0.38690 0.08220 -0.02987 -0.12106 216 SER C OG 1108 N N . SER A 74 ? 0.69650 0.49662 0.29090 0.06636 -0.12564 -0.15417 217 SER C N 1109 C CA . SER A 74 ? 0.65124 0.48409 0.27758 0.04908 -0.13429 -0.12447 217 SER C CA 1110 C C . SER A 74 ? 0.57617 0.47301 0.25710 0.05302 -0.13927 -0.11230 217 SER C C 1111 O O . SER A 74 ? 0.55810 0.48951 0.26458 0.03747 -0.16217 -0.11239 217 SER C O 1112 C CB . SER A 74 ? 0.64723 0.46325 0.29736 0.03979 -0.12392 -0.11203 217 SER C CB 1113 O OG . SER A 74 ? 0.66682 0.46589 0.30550 0.02461 -0.08844 -0.09182 217 SER C OG 1119 N N . ASN A 75 ? 0.52266 0.43353 0.24380 0.07040 -0.12846 -0.07453 218 ASN C N 1120 C CA . ASN A 75 ? 0.46875 0.40025 0.25357 0.06194 -0.11713 -0.06457 218 ASN C CA 1121 C C . ASN A 75 ? 0.43521 0.38372 0.23081 0.07203 -0.09338 -0.06498 218 ASN C C 1122 O O . ASN A 75 ? 0.40065 0.37214 0.22606 0.06399 -0.08477 -0.08308 218 ASN C O 1123 C CB . ASN A 75 ? 0.46542 0.37825 0.26405 0.05018 -0.13839 -0.06706 218 ASN C CB 1124 C CG . ASN A 75 ? 0.48060 0.37475 0.24619 0.07364 -0.12603 -0.09935 218 ASN C CG 1125 O OD1 . ASN A 75 ? 0.50228 0.39705 0.26154 0.10770 -0.12819 -0.12083 218 ASN C OD1 1126 N ND2 . ASN A 75 ? 0.46203 0.37693 0.27200 0.05113 -0.11751 -0.09126 218 ASN C ND2 1133 N N . SER A 76 ? 0.43166 0.41385 0.21067 0.08871 -0.08305 -0.05392 219 SER C N 1134 C CA . SER A 76 ? 0.42954 0.40843 0.20217 0.08001 -0.06078 -0.03833 219 SER C CA 1135 C C . SER A 76 ? 0.38820 0.38940 0.22438 0.08466 -0.05255 -0.05806 219 SER C C 1136 O O . SER A 76 ? 0.38827 0.37540 0.25209 0.07183 -0.03595 -0.06283 219 SER C O 1137 C CB . SER A 76 ? 0.45492 0.44109 0.20028 0.05860 -0.05796 -0.04930 219 SER C CB 1138 O OG . SER A 76 ? 0.47855 0.47384 0.22106 0.07259 -0.06374 -0.02731 219 SER C OG 1144 N N . ALA A 77 ? 0.33103 0.36932 0.22275 0.08345 -0.05101 -0.03916 220 ALA C N 1145 C CA . ALA A 77 ? 0.32593 0.36383 0.19335 0.07076 -0.04467 -0.01974 220 ALA C CA 1146 C C . ALA A 77 ? 0.31046 0.38210 0.20070 0.09997 -0.03215 0.00187 220 ALA C C 1147 O O . ALA A 77 ? 0.30713 0.38029 0.22449 0.11081 -0.03151 0.02584 220 ALA C O 1148 C CB . ALA A 77 ? 0.34566 0.37157 0.16960 0.05702 -0.07265 0.00361 220 ALA C CB 1154 N N . SER A 78 ? 0.32922 0.40448 0.18516 0.09164 -0.03777 0.01722 221 SER C N 1155 C CA . SER A 78 ? 0.34424 0.40747 0.17863 0.08887 -0.03424 0.00054 221 SER C CA 1156 C C . SER A 78 ? 0.29472 0.40696 0.18913 0.06300 -0.02435 0.01598 221 SER C C 1157 O O . SER A 78 ? 0.30539 0.42056 0.22303 0.05397 0.00119 0.00507 221 SER C O 1158 C CB . SER A 78 ? 0.40641 0.41854 0.19152 0.06387 -0.07689 -0.01625 221 SER C CB 1159 O OG . SER A 78 ? 0.43903 0.41301 0.22884 0.07112 -0.07997 -0.05216 221 SER C OG 1165 N N . LEU A 79 ? 0.29256 0.41265 0.18252 0.04183 -0.03579 0.02674 222 LEU C N 1166 C CA . LEU A 79 ? 0.27881 0.39512 0.19157 0.07024 -0.01309 0.06169 222 LEU C CA 1167 C C . LEU A 79 ? 0.27505 0.40322 0.19189 0.05153 -0.01107 0.05966 222 LEU C C 1168 O O . LEU A 79 ? 0.24648 0.41206 0.20691 0.03601 -0.01544 0.05089 222 LEU C O 1169 C CB . LEU A 79 ? 0.30274 0.39612 0.20032 0.06518 -0.02087 0.05569 222 LEU C CB 1170 C CG . LEU A 79 ? 0.28671 0.38787 0.19438 0.06059 -0.02998 0.02036 222 LEU C CG 1171 C CD1 . LEU A 79 ? 0.29710 0.37533 0.19363 0.04288 -0.02588 0.01260 222 LEU C CD1 1172 C CD2 . LEU A 79 ? 0.27029 0.38884 0.18744 0.06317 -0.03607 0.00404 222 LEU C CD2 1184 N N . THR A 80 ? 0.29864 0.40814 0.16474 0.06466 -0.01654 0.05191 223 THR C N 1185 C CA . THR A 80 ? 0.32873 0.42050 0.18289 0.05665 -0.00330 0.05345 223 THR C CA 1186 C C . THR A 80 ? 0.29635 0.40980 0.20686 0.03915 -0.00555 0.03492 223 THR C C 1187 O O . THR A 80 ? 0.29730 0.40550 0.23011 0.02622 -0.01061 0.03389 223 THR C O 1188 C CB . THR A 80 ? 0.34273 0.42419 0.18704 0.06538 0.02301 0.06197 223 THR C CB 1189 O OG1 . THR A 80 ? 0.42588 0.45465 0.21162 0.06947 0.00821 0.06175 223 THR C OG1 1190 C CG2 . THR A 80 ? 0.31914 0.44968 0.21336 0.07752 0.02851 0.05157 223 THR C CG2 1198 N N . ILE A 81 ? 0.28962 0.43261 0.20212 0.04829 -0.01168 0.04418 224 ILE C N 1199 C CA . ILE A 81 ? 0.26312 0.42312 0.19754 0.05967 -0.01483 0.04905 224 ILE C CA 1200 C C . ILE A 81 ? 0.32579 0.45365 0.24406 0.06034 -0.01789 0.06497 224 ILE C C 1201 O O . ILE A 81 ? 0.33322 0.44911 0.24869 0.05564 -0.03311 0.07015 224 ILE C O 1202 C CB . ILE A 81 ? 0.29730 0.42989 0.23633 0.05804 0.00534 0.00318 224 ILE C CB 1203 C CG1 . ILE A 81 ? 0.30687 0.44974 0.24058 0.06621 0.03581 -0.01452 224 ILE C CG1 1204 C CG2 . ILE A 81 ? 0.29312 0.43646 0.27090 0.05653 0.00018 -0.00198 224 ILE C CG2 1205 C CD1 . ILE A 81 ? 0.26812 0.46917 0.25072 0.05495 0.03397 -0.00470 224 ILE C CD1 1217 N N . SER A 82 ? 0.34927 0.46672 0.25327 0.04758 -0.03115 0.08056 225 SER C N 1218 C CA . SER A 82 ? 0.36317 0.51130 0.26388 0.03637 -0.04134 0.07341 225 SER C CA 1219 C C . SER A 82 ? 0.32943 0.48631 0.28796 0.01655 -0.04486 0.07035 225 SER C C 1220 O O . SER A 82 ? 0.33360 0.47679 0.31138 0.01364 -0.03322 0.05193 225 SER C O 1221 C CB . SER A 82 ? 0.39431 0.56309 0.24551 0.02271 -0.01213 0.04954 225 SER C CB 1222 O OG . SER A 82 ? 0.41540 0.59183 0.30473 0.03216 0.03010 0.05777 225 SER C OG 1228 N N . GLY A 83 ? 0.31101 0.48195 0.29898 -0.00546 -0.02871 0.09722 226 GLY C N 1229 C CA . GLY A 83 ? 0.30300 0.47025 0.32668 -0.01611 -0.03589 0.11027 226 GLY C CA 1230 C C . GLY A 83 ? 0.29258 0.45890 0.31482 -0.03187 -0.05585 0.11273 226 GLY C C 1231 O O . GLY A 83 ? 0.33098 0.48590 0.34586 -0.06011 -0.03013 0.10065 226 GLY C O 1235 N N . LEU A 84 ? 0.30661 0.43904 0.31005 -0.04021 -0.03407 0.11771 227 LEU C N 1236 C CA . LEU A 84 ? 0.30924 0.41404 0.31802 -0.05673 -0.02869 0.09873 227 LEU C CA 1237 C C . LEU A 84 ? 0.31204 0.39401 0.31987 -0.05633 0.00273 0.09740 227 LEU C C 1238 O O . LEU A 84 ? 0.29408 0.38255 0.30745 -0.01190 -0.01524 0.10329 227 LEU C O 1239 C CB . LEU A 84 ? 0.29541 0.41034 0.29435 -0.05592 -0.03164 0.07636 227 LEU C CB 1240 C CG . LEU A 84 ? 0.26955 0.42586 0.28639 -0.05382 -0.04370 0.06591 227 LEU C CG 1241 C CD1 . LEU A 84 ? 0.27605 0.45868 0.28583 -0.06134 -0.06417 0.05719 227 LEU C CD1 1242 C CD2 . LEU A 84 ? 0.30975 0.43053 0.29484 -0.04484 -0.03187 0.06935 227 LEU C CD2 1254 N N . LYS A 85 ? 0.34543 0.41379 0.35470 -0.06903 0.00518 0.10190 228 LYS C N 1255 C CA . LYS A 85 ? 0.38155 0.43219 0.42062 -0.05365 -0.02570 0.10633 228 LYS C CA 1256 C C . LYS A 85 ? 0.37480 0.38578 0.43403 -0.00548 -0.03704 0.08017 228 LYS C C 1257 O O . LYS A 85 ? 0.34306 0.35369 0.40122 0.03647 -0.04012 0.08073 228 LYS C O 1258 C CB . LYS A 85 ? 0.45896 0.50532 0.48941 -0.05881 -0.05652 0.11277 228 LYS C CB 1259 C CG . LYS A 85 ? 0.54293 0.58808 0.56853 -0.05496 -0.06425 0.10790 228 LYS C CG 1260 C CD . LYS A 85 ? 0.63450 0.65106 0.65914 -0.04048 -0.05942 0.11651 228 LYS C CD 1261 C CE . LYS A 85 ? 0.72511 0.73232 0.74389 -0.04019 -0.05853 0.13702 228 LYS C CE 1262 N NZ . LYS A 85 ? 0.82452 0.80180 0.84791 -0.04919 -0.05593 0.14331 228 LYS C NZ 1276 N N . THR A 86 ? 0.43826 0.40399 0.48922 0.00812 -0.04844 0.08727 229 THR C N 1277 C CA . THR A 86 ? 0.49934 0.43774 0.51533 0.02648 -0.03927 0.08094 229 THR C CA 1278 C C . THR A 86 ? 0.45716 0.41820 0.50939 0.03777 0.00466 0.04699 229 THR C C 1279 O O . THR A 86 ? 0.41384 0.39861 0.50181 0.05983 0.04804 0.04418 229 THR C O 1280 C CB . THR A 86 ? 0.59123 0.53333 0.59899 0.03245 -0.05943 0.10127 229 THR C CB 1281 O OG1 . THR A 86 ? 0.69697 0.63230 0.67009 0.04060 -0.04759 0.10570 229 THR C OG1 1282 C CG2 . THR A 86 ? 0.57196 0.52179 0.60003 0.05261 -0.08312 0.11280 229 THR C CG2 1290 N N . GLU A 87 ? 0.44204 0.40764 0.49875 0.02020 -0.01326 0.03302 230 GLU C N 1291 C CA . GLU A 87 ? 0.45146 0.46085 0.49820 0.00151 -0.02960 0.03238 230 GLU C CA 1292 C C . GLU A 87 ? 0.37015 0.41579 0.40113 -0.01113 -0.01378 0.02882 230 GLU C C 1293 O O . GLU A 87 ? 0.35562 0.40679 0.37913 0.01171 0.00783 0.02375 230 GLU C O 1294 C CB . GLU A 87 ? 0.58228 0.55502 0.61290 -0.02169 -0.04197 0.05839 230 GLU C CB 1295 C CG . GLU A 87 ? 0.70243 0.64877 0.69788 -0.02430 -0.05646 0.08217 230 GLU C CG 1296 C CD . GLU A 87 ? 0.81124 0.75784 0.80800 -0.01815 -0.07437 0.09658 230 GLU C CD 1297 O OE1 . GLU A 87 ? 0.84201 0.77162 0.84348 -0.02098 -0.09667 0.09315 230 GLU C OE1 1298 O OE2 . GLU A 87 ? 0.85152 0.78548 0.83886 -0.01289 -0.06983 0.11369 230 GLU C OE2 1305 N N . ASP A 88 ? 0.32477 0.37269 0.35107 -0.01690 -0.02266 0.02002 231 ASP C N 1306 C CA . ASP A 88 ? 0.29859 0.35465 0.28316 -0.00459 -0.00778 0.00844 231 ASP C CA 1307 C C . ASP A 88 ? 0.29701 0.33949 0.27644 0.01540 -0.01038 0.01006 231 ASP C C 1308 O O . ASP A 88 ? 0.30144 0.31301 0.26588 0.02651 -0.02394 0.01496 231 ASP C O 1309 C CB . ASP A 88 ? 0.28370 0.35531 0.25351 -0.02456 0.01174 0.00810 231 ASP C CB 1310 C CG . ASP A 88 ? 0.32371 0.37625 0.29891 -0.02002 0.00512 0.02026 231 ASP C CG 1311 O OD1 . ASP A 88 ? 0.29134 0.38397 0.29300 -0.02247 0.00617 0.02446 231 ASP C OD1 1312 O OD2 . ASP A 88 ? 0.35671 0.34680 0.27809 -0.00469 0.00112 0.02531 231 ASP C OD2 1317 N N . GLU A 89 ? 0.31733 0.36539 0.29911 0.04237 0.00224 0.00974 232 GLU C N 1318 C CA . GLU A 89 ? 0.33254 0.39996 0.32294 0.04286 -0.01712 0.01921 232 GLU C CA 1319 C C . GLU A 89 ? 0.31083 0.35268 0.28481 0.02029 -0.01537 -0.01486 232 GLU C C 1320 O O . GLU A 89 ? 0.34963 0.34382 0.31364 -0.00757 0.02167 -0.01924 232 GLU C O 1321 C CB . GLU A 89 ? 0.39448 0.48115 0.42196 0.07677 -0.02980 0.05000 232 GLU C CB 1322 C CG . GLU A 89 ? 0.51752 0.56750 0.50078 0.08799 -0.06973 0.05139 232 GLU C CG 1323 C CD . GLU A 89 ? 0.49861 0.54560 0.49981 0.11430 -0.08490 0.04117 232 GLU C CD 1324 O OE1 . GLU A 89 ? 0.53254 0.55677 0.51857 0.11116 -0.11349 0.05160 232 GLU C OE1 1325 O OE2 . GLU A 89 ? 0.44758 0.54046 0.47173 0.13585 -0.07728 0.03383 232 GLU C OE2 1332 N N . ALA A 90 ? 0.26349 0.36174 0.23295 0.02636 -0.02267 -0.02065 233 ALA C N 1333 C CA . ALA A 90 ? 0.25553 0.35929 0.22133 0.01525 -0.01829 -0.01706 233 ALA C CA 1334 C C . ALA A 90 ? 0.24506 0.32826 0.21213 0.00994 -0.04636 -0.01039 233 ALA C C 1335 O O . ALA A 90 ? 0.24155 0.29710 0.21637 0.01383 -0.03689 0.01171 233 ALA C O 1336 C CB . ALA A 90 ? 0.27411 0.37088 0.26184 0.01079 -0.01128 -0.02086 233 ALA C CB 1342 N N . ASP A 91 ? 0.23813 0.34866 0.20743 0.00886 -0.04025 -0.01654 234 ASP C N 1343 C CA . ASP A 91 ? 0.21582 0.36868 0.21580 0.01916 -0.05684 0.00164 234 ASP C CA 1344 C C . ASP A 91 ? 0.21117 0.37893 0.22196 0.02009 -0.06761 -0.01645 234 ASP C C 1345 O O . ASP A 91 ? 0.26915 0.40765 0.27527 0.04678 -0.07460 -0.05314 234 ASP C O 1346 C CB . ASP A 91 ? 0.26351 0.40775 0.21839 0.08302 -0.04351 -0.00616 234 ASP C CB 1347 C CG . ASP A 91 ? 0.28941 0.47319 0.24146 0.09279 -0.02452 0.00382 234 ASP C CG 1348 O OD1 . ASP A 91 ? 0.32575 0.49880 0.28229 0.10969 0.00375 0.02159 234 ASP C OD1 1349 O OD2 . ASP A 91 ? 0.30846 0.49864 0.26062 0.08019 -0.04648 -0.01325 234 ASP C OD2 1354 N N . TYR A 92 ? 0.20125 0.32456 0.18524 0.00502 -0.04898 0.01670 235 TYR C N 1355 C CA . TYR A 92 ? 0.20484 0.31600 0.17655 0.02296 -0.02782 0.02079 235 TYR C CA 1356 C C . TYR A 92 ? 0.19351 0.30867 0.18097 0.00712 -0.01466 0.01018 235 TYR C C 1357 O O . TYR A 92 ? 0.20616 0.31170 0.20870 0.01622 -0.05087 0.02527 235 TYR C O 1358 C CB . TYR A 92 ? 0.20134 0.32962 0.17354 0.02037 -0.02508 0.02613 235 TYR C CB 1359 C CG . TYR A 92 ? 0.23533 0.32186 0.17056 -0.00190 -0.04190 0.02835 235 TYR C CG 1360 C CD1 . TYR A 92 ? 0.23381 0.33639 0.19136 0.01394 -0.04709 0.04533 235 TYR C CD1 1361 C CD2 . TYR A 92 ? 0.22501 0.31341 0.17573 -0.00310 -0.03047 0.04469 235 TYR C CD2 1362 C CE1 . TYR A 92 ? 0.24218 0.32972 0.18195 0.00683 -0.05203 0.03039 235 TYR C CE1 1363 C CE2 . TYR A 92 ? 0.24110 0.32395 0.16354 -0.02845 -0.03938 0.04161 235 TYR C CE2 1364 C CZ . TYR A 92 ? 0.25089 0.33794 0.18259 -0.00218 -0.02938 0.04085 235 TYR C CZ 1365 O OH . TYR A 92 ? 0.25515 0.36429 0.21439 0.02011 -0.02444 0.02908 235 TYR C OH 1375 N N . TYR A 93 ? 0.19094 0.30141 0.16859 0.03459 -0.01002 0.01733 236 TYR C N 1376 C CA . TYR A 93 ? 0.19395 0.29624 0.18291 0.03976 -0.02799 0.01766 236 TYR C CA 1377 C C . TYR A 93 ? 0.19551 0.31301 0.19309 0.03621 -0.01685 0.02290 236 TYR C C 1378 O O . TYR A 93 ? 0.18674 0.33603 0.19539 0.03783 -0.01601 0.01229 236 TYR C O 1379 C CB . TYR A 93 ? 0.20722 0.31118 0.18817 0.04245 -0.02596 0.00726 236 TYR C CB 1380 C CG . TYR A 93 ? 0.21419 0.31827 0.17589 0.02933 -0.02096 0.01053 236 TYR C CG 1381 C CD1 . TYR A 93 ? 0.19774 0.31719 0.15593 0.00977 -0.02260 -0.00248 236 TYR C CD1 1382 C CD2 . TYR A 93 ? 0.19320 0.31033 0.16883 0.02511 -0.02427 0.02014 236 TYR C CD2 1383 C CE1 . TYR A 93 ? 0.20084 0.32685 0.14863 0.00677 -0.01653 0.01342 236 TYR C CE1 1384 C CE2 . TYR A 93 ? 0.19125 0.31121 0.16561 0.01416 -0.01991 0.04043 236 TYR C CE2 1385 C CZ . TYR A 93 ? 0.18418 0.33718 0.15129 0.01035 -0.03988 0.03162 236 TYR C CZ 1386 O OH . TYR A 93 ? 0.22918 0.37461 0.18374 0.01738 0.00115 0.01340 236 TYR C OH 1396 N N . CYS A 94 ? 0.19866 0.30662 0.18877 -0.00057 -0.02721 0.00335 237 CYS C N 1397 C CA . CYS A 94 ? 0.18911 0.28339 0.19163 -0.00230 -0.03821 0.01053 237 CYS C CA 1398 C C . CYS A 94 ? 0.18896 0.28031 0.18734 0.04123 -0.02038 -0.01361 237 CYS C C 1399 O O . CYS A 94 ? 0.19241 0.27777 0.18503 0.02687 -0.00830 -0.00175 237 CYS C O 1400 C CB . CYS A 94 ? 0.23472 0.33095 0.19991 -0.00475 -0.04126 0.00579 237 CYS C CB 1401 S SG . CYS A 94 ? 0.31565 0.35343 0.21294 0.01041 -0.04792 -0.00141 237 CYS C SG 1406 N N . GLN A 95 ? 0.20086 0.29416 0.19149 0.04664 -0.02948 0.00898 238 GLN C N 1407 C CA . GLN A 95 ? 0.20298 0.29110 0.17993 0.03676 -0.07299 0.01380 238 GLN C CA 1408 C C . GLN A 95 ? 0.22594 0.30135 0.17529 0.02754 -0.03228 -0.01627 238 GLN C C 1409 O O . GLN A 95 ? 0.22558 0.32395 0.16641 0.03775 -0.01652 -0.02011 238 GLN C O 1410 C CB . GLN A 95 ? 0.27231 0.28885 0.16193 0.03121 -0.01463 0.01318 238 GLN C CB 1411 C CG . GLN A 95 ? 0.30237 0.30326 0.18385 0.03021 -0.03784 0.01268 238 GLN C CG 1412 C CD . GLN A 95 ? 0.30382 0.33473 0.22580 0.06398 -0.01184 0.05306 238 GLN C CD 1413 O OE1 . GLN A 95 ? 0.24744 0.36207 0.21143 0.02889 -0.05644 0.00954 238 GLN C OE1 1414 N NE2 . GLN A 95 ? 0.31978 0.33854 0.26427 0.06188 0.00088 0.06506 238 GLN C NE2 1424 N N . SER A 96 ? 0.23251 0.26821 0.17555 0.00858 -0.04392 -0.02267 239 SER C N 1425 C CA . SER A 96 ? 0.25118 0.22771 0.18456 0.02244 -0.03874 -0.01522 239 SER C CA 1426 C C . SER A 96 ? 0.26281 0.24779 0.18459 0.04727 -0.02759 -0.00199 239 SER C C 1427 O O . SER A 96 ? 0.26174 0.29632 0.16856 0.04058 -0.04369 -0.01417 239 SER C O 1428 C CB . SER A 96 ? 0.24744 0.21403 0.19884 0.02775 -0.01625 -0.01526 239 SER C CB 1429 O OG . SER A 96 ? 0.28497 0.24789 0.20818 0.04539 -0.05120 -0.01240 239 SER C OG 1435 N N . TYR A 97 ? 0.26675 0.23287 0.19591 0.05335 -0.01523 0.01526 240 TYR C N 1436 C CA . TYR A 97 ? 0.24509 0.25393 0.19177 0.04802 -0.02882 0.02677 240 TYR C CA 1437 C C . TYR A 97 ? 0.30255 0.27870 0.19309 0.05561 -0.03149 -0.01251 240 TYR C C 1438 O O . TYR A 97 ? 0.34610 0.24969 0.21521 0.04284 0.00682 -0.00652 240 TYR C O 1439 C CB . TYR A 97 ? 0.23346 0.26518 0.19994 0.04378 -0.01434 0.03252 240 TYR C CB 1440 C CG . TYR A 97 ? 0.25230 0.25109 0.19239 0.05571 -0.01490 0.04408 240 TYR C CG 1441 C CD1 . TYR A 97 ? 0.23104 0.23726 0.21119 0.03913 -0.00159 0.01570 240 TYR C CD1 1442 C CD2 . TYR A 97 ? 0.28691 0.27469 0.20990 0.09300 -0.02343 0.04328 240 TYR C CD2 1443 C CE1 . TYR A 97 ? 0.23885 0.24141 0.19087 0.01981 -0.01240 0.03301 240 TYR C CE1 1444 C CE2 . TYR A 97 ? 0.32075 0.27684 0.21616 0.06500 -0.02873 0.03949 240 TYR C CE2 1445 C CZ . TYR A 97 ? 0.30450 0.25962 0.19656 0.00756 -0.02732 0.04245 240 TYR C CZ 1446 O OH . TYR A 97 ? 0.35929 0.26334 0.23536 0.03255 -0.05289 0.02782 240 TYR C OH 1456 N N . ASP A 98 ? 0.30229 0.27771 0.18990 0.03656 -0.01405 -0.02374 241 ASP C N 1457 C CA . ASP A 98 ? 0.31410 0.27489 0.23814 0.04129 -0.00759 -0.01945 241 ASP C CA 1458 C C . ASP A 98 ? 0.28718 0.27829 0.25096 0.03689 -0.00973 -0.00985 241 ASP C C 1459 O O . ASP A 98 ? 0.26270 0.29415 0.26029 0.02899 -0.01709 0.00542 241 ASP C O 1460 C CB . ASP A 98 ? 0.33439 0.29684 0.25980 0.01830 -0.02284 0.00335 241 ASP C CB 1461 C CG . ASP A 98 ? 0.36706 0.30737 0.29067 -0.01093 -0.05366 0.01878 241 ASP C CG 1462 O OD1 . ASP A 98 ? 0.39346 0.29444 0.33219 -0.00419 -0.04369 0.00301 241 ASP C OD1 1463 O OD2 . ASP A 98 ? 0.35683 0.32191 0.28974 -0.04781 -0.06324 0.00545 241 ASP C OD2 1468 N N . ARG A 99 ? 0.33055 0.30050 0.27343 0.07966 0.00514 -0.01051 242 ARG C N 1469 C CA . ARG A 99 ? 0.36022 0.30067 0.30084 0.09538 0.00275 -0.00274 242 ARG C CA 1470 C C . ARG A 99 ? 0.40493 0.32242 0.31540 0.09176 0.02624 0.00919 242 ARG C C 1471 O O . ARG A 99 ? 0.41744 0.38380 0.33014 0.08473 0.01415 0.03128 242 ARG C O 1472 C CB . ARG A 99 ? 0.34973 0.30973 0.32551 0.06483 0.00790 0.00540 242 ARG C CB 1473 C CG . ARG A 99 ? 0.34225 0.30380 0.32744 0.07360 0.01404 -0.00027 242 ARG C CG 1474 C CD . ARG A 99 ? 0.36105 0.31489 0.33633 0.07404 0.01007 -0.02864 242 ARG C CD 1475 N NE . ARG A 99 ? 0.33085 0.32997 0.31676 0.06432 -0.01685 -0.04157 242 ARG C NE 1476 C CZ . ARG A 99 ? 0.31341 0.31658 0.30522 0.06678 -0.02626 -0.02402 242 ARG C CZ 1477 N NH1 . ARG A 99 ? 0.35205 0.30079 0.30543 0.06891 -0.00706 -0.01417 242 ARG C NH1 1478 N NH2 . ARG A 99 ? 0.27876 0.31764 0.29786 0.04305 -0.02858 -0.03404 242 ARG C NH2 1492 N N . SER A 100 ? 0.43865 0.31858 0.37898 0.08530 0.03315 0.00292 243 SER C N 1493 C CA . SER A 100 ? 0.49507 0.39458 0.43522 0.05398 0.03255 0.00133 243 SER C CA 1494 C C . SER A 100 ? 0.46142 0.33080 0.33532 0.03512 0.04850 0.03664 243 SER C C 1495 O O . SER A 100 ? 0.49412 0.34681 0.35336 0.07481 0.06243 0.03182 243 SER C O 1496 C CB . SER A 100 ? 0.61985 0.49466 0.52942 0.00958 0.00072 -0.03223 243 SER C CB 1497 O OG . SER A 100 ? 0.75034 0.57793 0.64498 -0.01048 -0.02085 -0.01692 243 SER C OG 1503 N N . ASN A 101 ? 0.42546 0.31620 0.30561 -0.01112 0.03997 0.05274 244 ASN C N 1504 C CA . ASN A 101 ? 0.40908 0.31520 0.31717 -0.01409 0.03136 0.03077 244 ASN C CA 1505 C C . ASN A 101 ? 0.38427 0.29852 0.28201 0.02827 0.05170 0.02506 244 ASN C C 1506 O O . ASN A 101 ? 0.40063 0.30679 0.27415 0.04014 0.05470 0.01004 244 ASN C O 1507 C CB . ASN A 101 ? 0.36549 0.33931 0.34051 -0.02955 -0.00071 0.01143 244 ASN C CB 1508 C CG . ASN A 101 ? 0.38985 0.35872 0.37933 -0.05059 -0.03925 0.00651 244 ASN C CG 1509 O OD1 . ASN A 101 ? 0.41915 0.34607 0.42299 -0.03165 -0.04587 0.01165 244 ASN C OD1 1510 N ND2 . ASN A 101 ? 0.39962 0.40676 0.36098 -0.07238 -0.04927 0.00524 244 ASN C ND2 1517 N N . HIS A 102 ? 0.36423 0.30511 0.25746 0.09539 0.01607 0.03998 245 HIS C N 1518 C CA . HIS A 102 ? 0.37871 0.34673 0.27214 0.08982 -0.02389 0.03995 245 HIS C CA 1519 C C . HIS A 102 ? 0.30475 0.27397 0.20812 0.04199 -0.01978 0.01483 245 HIS C C 1520 O O . HIS A 102 ? 0.32210 0.29096 0.22527 0.01484 -0.02045 0.01500 245 HIS C O 1521 C CB . HIS A 102 ? 0.45448 0.44196 0.37327 0.11852 -0.06137 0.04169 245 HIS C CB 1522 C CG . HIS A 102 ? 0.53856 0.52334 0.49320 0.08918 -0.06674 0.03604 245 HIS C CG 1523 N ND1 . HIS A 102 ? 0.58794 0.57715 0.57841 0.06528 -0.04958 0.03102 245 HIS C ND1 1524 C CD2 . HIS A 102 ? 0.61562 0.59267 0.58240 0.09028 -0.06561 0.03037 245 HIS C CD2 1525 C CE1 . HIS A 102 ? 0.67094 0.62816 0.61013 0.05952 -0.03110 0.02723 245 HIS C CE1 1526 N NE2 . HIS A 102 ? 0.71170 0.67077 0.68401 0.07602 -0.03518 0.02117 245 HIS C NE2 1534 N N . GLU A 103 ? 0.28603 0.24444 0.19049 0.00897 -0.01293 -0.00995 246 GLU C N 1535 C CA . GLU A 103 ? 0.23313 0.25588 0.18773 0.01938 -0.00937 -0.01252 246 GLU C CA 1536 C C . GLU A 103 ? 0.21546 0.27174 0.18981 0.01514 -0.02094 -0.00600 246 GLU C C 1537 O O . GLU A 103 ? 0.22568 0.26458 0.19189 0.01774 -0.01380 -0.00339 246 GLU C O 1538 C CB . GLU A 103 ? 0.23964 0.30768 0.22702 -0.00426 0.02706 0.00302 246 GLU C CB 1539 C CG . GLU A 103 ? 0.26873 0.31970 0.25596 -0.01656 0.02774 -0.00729 246 GLU C CG 1540 C CD . GLU A 103 ? 0.30038 0.30487 0.26843 -0.05086 0.02881 -0.00881 246 GLU C CD 1541 O OE1 . GLU A 103 ? 0.30434 0.32257 0.28045 -0.05374 -0.00538 -0.00021 246 GLU C OE1 1542 O OE2 . GLU A 103 ? 0.32971 0.30287 0.27287 -0.04839 0.00939 -0.00901 246 GLU C OE2 1549 N N . VAL A 104 ? 0.21677 0.26246 0.17530 0.00467 -0.02575 -0.01282 247 VAL C N 1550 C CA . VAL A 104 ? 0.17934 0.26447 0.17507 0.00154 -0.01271 0.01187 247 VAL C CA 1551 C C . VAL A 104 ? 0.20870 0.27020 0.17747 0.02055 -0.03171 -0.01772 247 VAL C C 1552 O O . VAL A 104 ? 0.22323 0.30126 0.17104 0.00803 -0.02967 -0.02642 247 VAL C O 1553 C CB . VAL A 104 ? 0.18900 0.25626 0.19492 -0.02165 -0.00216 -0.00587 247 VAL C CB 1554 C CG1 . VAL A 104 ? 0.25567 0.22162 0.20348 -0.02433 -0.00459 -0.01861 247 VAL C CG1 1555 C CG2 . VAL A 104 ? 0.16718 0.25524 0.21822 -0.02203 0.01142 -0.00738 247 VAL C CG2 1565 N N . VAL A 105 ? 0.21458 0.25409 0.18760 0.00469 -0.03656 0.00165 248 VAL C N 1566 C CA . VAL A 105 ? 0.21855 0.26760 0.18856 -0.02377 -0.03586 -0.00637 248 VAL C CA 1567 C C . VAL A 105 ? 0.16973 0.25072 0.18139 -0.01154 -0.03498 -0.00792 248 VAL C C 1568 O O . VAL A 105 ? 0.21320 0.27180 0.21050 -0.00344 -0.01950 -0.00822 248 VAL C O 1569 C CB . VAL A 105 ? 0.26512 0.27391 0.21740 -0.01673 -0.07122 0.00694 248 VAL C CB 1570 C CG1 . VAL A 105 ? 0.27791 0.29709 0.20375 -0.02109 -0.08949 0.00070 248 VAL C CG1 1571 C CG2 . VAL A 105 ? 0.30931 0.27498 0.24701 -0.01324 -0.06402 0.03324 248 VAL C CG2 1581 N N . PHE A 106 ? 0.19391 0.25298 0.17160 -0.00863 -0.02760 0.00441 249 PHE C N 1582 C CA . PHE A 106 ? 0.22310 0.25566 0.17350 -0.01107 -0.03059 0.00798 249 PHE C CA 1583 C C . PHE A 106 ? 0.22916 0.26933 0.19846 -0.00883 -0.03870 0.03297 249 PHE C C 1584 O O . PHE A 106 ? 0.22074 0.25826 0.21436 -0.01598 -0.02934 0.03214 249 PHE C O 1585 C CB . PHE A 106 ? 0.21416 0.27978 0.16922 -0.02681 -0.02313 0.00076 249 PHE C CB 1586 C CG . PHE A 106 ? 0.21814 0.27793 0.17016 -0.02040 -0.01324 -0.00091 249 PHE C CG 1587 C CD1 . PHE A 106 ? 0.19375 0.28046 0.17388 -0.00890 -0.00245 -0.01720 249 PHE C CD1 1588 C CD2 . PHE A 106 ? 0.23823 0.28298 0.17768 0.01018 -0.01472 0.00489 249 PHE C CD2 1589 C CE1 . PHE A 106 ? 0.19412 0.30389 0.21346 -0.00398 -0.01069 0.00435 249 PHE C CE1 1590 C CE2 . PHE A 106 ? 0.24640 0.29806 0.18194 0.03911 -0.03325 0.00249 249 PHE C CE2 1591 C CZ . PHE A 106 ? 0.21012 0.31187 0.19389 0.02212 -0.01731 -0.00685 249 PHE C CZ 1601 N N . GLY A 107 ? 0.25240 0.27552 0.15325 0.03027 -0.03206 0.01091 250 GLY C N 1602 C CA . GLY A 107 ? 0.23770 0.30301 0.16215 0.03593 -0.03375 0.00115 250 GLY C CA 1603 C C . GLY A 107 ? 0.21481 0.30777 0.17508 0.02838 -0.04754 0.03024 250 GLY C C 1604 O O . GLY A 107 ? 0.22856 0.29687 0.18516 -0.00296 -0.03579 -0.01542 250 GLY C O 1608 N N . GLY A 108 ? 0.23503 0.35815 0.20890 0.01019 -0.05445 0.03709 251 GLY C N 1609 C CA . GLY A 108 ? 0.24795 0.35824 0.21269 -0.01052 -0.04872 0.06185 251 GLY C CA 1610 C C . GLY A 108 ? 0.25910 0.35981 0.21560 -0.00825 -0.03944 0.05546 251 GLY C C 1611 O O . GLY A 108 ? 0.27523 0.38237 0.24181 0.01601 -0.03591 0.05649 251 GLY C O 1615 N N . GLY A 109 ? 0.21904 0.34722 0.18095 -0.01419 -0.05006 0.04775 252 GLY C N 1616 C CA . GLY A 109 ? 0.21735 0.35889 0.19497 -0.02225 -0.06401 0.05443 252 GLY C CA 1617 C C . GLY A 109 ? 0.24037 0.34916 0.20831 -0.02252 -0.04683 0.04502 252 GLY C C 1618 O O . GLY A 109 ? 0.24657 0.35902 0.22962 -0.02084 -0.05501 0.05775 252 GLY C O 1622 N N . THR A 110 ? 0.25335 0.32436 0.21032 -0.02341 -0.04839 0.06871 253 THR C N 1623 C CA . THR A 110 ? 0.24085 0.30862 0.18592 -0.02684 -0.03152 0.06932 253 THR C CA 1624 C C . THR A 110 ? 0.19682 0.30009 0.21074 -0.01610 -0.02913 0.06289 253 THR C C 1625 O O . THR A 110 ? 0.20251 0.29933 0.24396 -0.00402 -0.05781 0.05157 253 THR C O 1626 C CB . THR A 110 ? 0.22875 0.33506 0.19439 -0.00668 -0.03913 0.06295 253 THR C CB 1627 O OG1 . THR A 110 ? 0.21596 0.34485 0.22319 0.00232 -0.06298 0.02933 253 THR C OG1 1628 C CG2 . THR A 110 ? 0.26140 0.38228 0.20067 0.01356 -0.04406 0.08859 253 THR C CG2 1636 N N . LYS A 111 ? 0.20799 0.35123 0.22638 0.00093 -0.02140 0.01730 254 LYS C N 1637 C CA . LYS A 111 ? 0.23975 0.37794 0.22995 0.02378 -0.03320 0.04827 254 LYS C CA 1638 C C . LYS A 111 ? 0.22948 0.35730 0.21666 0.00290 -0.04970 0.04709 254 LYS C C 1639 O O . LYS A 111 ? 0.24347 0.35968 0.22790 -0.01942 -0.06103 0.05662 254 LYS C O 1640 C CB . LYS A 111 ? 0.39868 0.52943 0.32825 0.06548 -0.02364 0.05780 254 LYS C CB 1641 C CG . LYS A 111 ? 0.62233 0.69851 0.47185 0.08719 -0.02336 0.05554 254 LYS C CG 1642 C CD . LYS A 111 ? 0.78291 0.82861 0.62444 0.09421 -0.01823 0.04860 254 LYS C CD 1643 C CE . LYS A 111 ? 0.89631 0.89419 0.68577 0.10064 -0.00361 0.04114 254 LYS C CE 1644 N NZ . LYS A 111 ? 0.92040 0.92564 0.70953 0.11046 0.00532 0.04496 254 LYS C NZ 1658 N N . LEU A 112 ? 0.22260 0.33165 0.18701 -0.00309 -0.03786 0.04683 255 LEU C N 1659 C CA . LEU A 112 ? 0.24131 0.35140 0.20149 -0.01193 -0.03227 0.03914 255 LEU C CA 1660 C C . LEU A 112 ? 0.25428 0.33881 0.21683 -0.01533 -0.04519 0.03085 255 LEU C C 1661 O O . LEU A 112 ? 0.27912 0.34061 0.25593 0.02846 -0.06297 0.02430 255 LEU C O 1662 C CB . LEU A 112 ? 0.23554 0.37746 0.23055 0.00912 -0.02019 0.04482 255 LEU C CB 1663 C CG . LEU A 112 ? 0.25698 0.41562 0.27375 0.01353 0.00154 0.02966 255 LEU C CG 1664 C CD1 . LEU A 112 ? 0.34049 0.44339 0.39088 0.00907 -0.01970 0.03594 255 LEU C CD1 1665 C CD2 . LEU A 112 ? 0.27013 0.42744 0.30743 0.02689 0.03443 0.04582 255 LEU C CD2 1677 N N . THR A 113 ? 0.23116 0.34602 0.21992 -0.01347 -0.04062 0.03734 256 THR C N 1678 C CA . THR A 113 ? 0.25801 0.36761 0.25521 -0.01707 -0.01171 0.05771 256 THR C CA 1679 C C . THR A 113 ? 0.25361 0.36819 0.25815 -0.01311 -0.04374 0.05046 256 THR C C 1680 O O . THR A 113 ? 0.26155 0.35156 0.23709 -0.01008 -0.05311 0.04920 256 THR C O 1681 C CB . THR A 113 ? 0.30538 0.40370 0.31034 0.04642 0.02954 0.06108 256 THR C CB 1682 O OG1 . THR A 113 ? 0.33142 0.44653 0.35074 0.07705 0.05443 0.03727 256 THR C OG1 1683 C CG2 . THR A 113 ? 0.40979 0.46611 0.35996 0.01914 0.04283 0.06568 256 THR C CG2 1691 N N . VAL A 114 ? 0.26294 0.35552 0.25831 -0.01118 -0.05815 0.02594 257 VAL C N 1692 C CA . VAL A 114 ? 0.29328 0.34788 0.27016 -0.02221 -0.03676 0.02258 257 VAL C CA 1693 C C . VAL A 114 ? 0.31634 0.33368 0.24694 0.03297 -0.03243 -0.00116 257 VAL C C 1694 O O . VAL A 114 ? 0.38774 0.35008 0.26238 0.08219 -0.03095 -0.00228 257 VAL C O 1695 C CB . VAL A 114 ? 0.34388 0.35406 0.28779 -0.06467 -0.03590 0.02495 257 VAL C CB 1696 C CG1 . VAL A 114 ? 0.37250 0.34760 0.33316 -0.09820 0.01707 0.05888 257 VAL C CG1 1697 C CG2 . VAL A 114 ? 0.34883 0.36255 0.29647 -0.06157 -0.06201 -0.02493 257 VAL C CG2 1707 N N . LEU A 115 ? 0.28868 0.30793 0.25458 0.01891 -0.03125 0.00340 258 LEU C N 1708 C CA . LEU A 115 ? 0.27720 0.29609 0.26986 0.00863 -0.04675 0.02387 258 LEU C CA 1709 C C . LEU A 115 ? 0.26785 0.30567 0.30876 -0.01975 -0.04819 0.02767 258 LEU C C 1710 O O . LEU A 115 ? 0.29712 0.33585 0.37249 -0.00673 -0.03278 0.05530 258 LEU C O 1711 C CB . LEU A 115 ? 0.28139 0.29122 0.26611 -0.00371 -0.05192 0.04947 258 LEU C CB 1712 C CG . LEU A 115 ? 0.30253 0.30115 0.30135 0.00796 -0.06690 0.04659 258 LEU C CG 1713 C CD1 . LEU A 115 ? 0.31458 0.31385 0.32073 -0.02220 -0.07814 0.00739 258 LEU C CD1 1714 C CD2 . LEU A 115 ? 0.34521 0.32831 0.33568 0.01045 -0.02970 0.05961 258 LEU C CD2 1726 N N . GLU A 116 ? 0.29722 0.30468 0.27074 -0.01231 -0.06550 0.01482 259 GLU C N 1727 C CA . GLU A 116 ? 0.33770 0.32491 0.27952 -0.00717 -0.06386 0.01577 259 GLU C CA 1728 C C . GLU A 116 ? 0.31633 0.32027 0.26981 -0.03712 -0.03316 0.05077 259 GLU C C 1729 O O . GLU A 116 ? 0.31292 0.33959 0.29249 -0.04411 -0.00517 0.05802 259 GLU C O 1730 C CB . GLU A 116 ? 0.40335 0.35545 0.29544 0.01252 -0.08436 0.01763 259 GLU C CB 1731 C CG . GLU A 116 ? 0.44227 0.35587 0.27520 -0.00216 -0.09593 0.03246 259 GLU C CG 1732 C CD . GLU A 116 ? 0.48267 0.39513 0.32971 0.01167 -0.10386 0.02015 259 GLU C CD 1733 O OE1 . GLU A 116 ? 0.47651 0.35951 0.33466 0.00630 -0.09020 -0.02008 259 GLU C OE1 1734 O OE2 . GLU A 116 ? 0.49580 0.40693 0.31511 0.03779 -0.10037 0.02943 259 GLU C OE2 1741 N N . ASN A 117 ? 0.31321 0.29954 0.23664 -0.05503 -0.04010 0.06589 260 ASN C N 1742 C CA . ASN A 117 ? 0.31397 0.29461 0.23447 -0.03838 0.01257 0.04462 260 ASN C CA 1743 C C . ASN A 117 ? 0.36473 0.30280 0.29408 0.00868 0.04185 0.06366 260 ASN C C 1744 O O . ASN A 117 ? 0.37335 0.29782 0.32167 -0.00461 0.02965 0.06685 260 ASN C O 1745 C CB . ASN A 117 ? 0.31552 0.27572 0.18571 -0.04891 0.02845 0.01929 260 ASN C CB 1746 C CG . ASN A 117 ? 0.28284 0.24011 0.18991 -0.07364 0.01997 0.00911 260 ASN C CG 1747 O OD1 . ASN A 117 ? 0.31293 0.21669 0.19870 -0.07324 0.00354 0.01627 260 ASN C OD1 1748 N ND2 . ASN A 117 ? 0.28289 0.26587 0.22632 -0.06408 0.03133 0.02992 260 ASN C ND2 1755 N N . LEU A 118 ? 0.39886 0.31177 0.29110 0.02238 0.04943 0.04777 261 LEU C N 1756 C CA . LEU A 118 ? 0.45509 0.33847 0.30590 -0.00410 0.04157 0.04644 261 LEU C CA 1757 C C . LEU A 118 ? 0.50125 0.35421 0.30757 -0.01574 0.00997 0.02993 261 LEU C C 1758 O O . LEU A 118 ? 0.48362 0.34688 0.34816 -0.03144 0.02473 0.00269 261 LEU C O 1759 C CB . LEU A 118 ? 0.47084 0.35690 0.32886 -0.00305 0.07107 0.05444 261 LEU C CB 1760 C CG . LEU A 118 ? 0.49728 0.37320 0.32600 -0.04113 0.07190 0.05498 261 LEU C CG 1761 C CD1 . LEU A 118 ? 0.50219 0.39056 0.34599 -0.06774 0.08847 0.02158 261 LEU C CD1 1762 C CD2 . LEU A 118 ? 0.50988 0.40298 0.35015 -0.06568 0.06312 0.04226 261 LEU C CD2 1774 N N . TYR A 119 ? 0.57653 0.38678 0.32895 -0.00866 -0.01056 0.04342 262 TYR C N 1775 C CA . TYR A 119 ? 0.61086 0.42099 0.38883 -0.00838 -0.04164 0.04941 262 TYR C CA 1776 C C . TYR A 119 ? 0.80201 0.53828 0.49462 -0.01188 -0.05623 0.01677 262 TYR C C 1777 O O . TYR A 119 ? 0.81981 0.55420 0.48003 -0.01082 -0.04680 -0.01417 262 TYR C O 1778 C CB . TYR A 119 ? 0.52477 0.40107 0.35813 -0.02023 -0.06046 0.07769 262 TYR C CB 1779 C CG . TYR A 119 ? 0.46787 0.35892 0.32625 -0.05708 -0.05115 0.08473 262 TYR C CG 1780 C CD1 . TYR A 119 ? 0.42458 0.35684 0.33880 -0.07466 -0.05879 0.08589 262 TYR C CD1 1781 C CD2 . TYR A 119 ? 0.45394 0.35948 0.35051 -0.06807 -0.05045 0.07300 262 TYR C CD2 1782 C CE1 . TYR A 119 ? 0.39467 0.33816 0.33101 -0.08455 -0.06366 0.07874 262 TYR C CE1 1783 C CE2 . TYR A 119 ? 0.42451 0.34819 0.35891 -0.05262 -0.05103 0.05543 262 TYR C CE2 1784 C CZ . TYR A 119 ? 0.42419 0.34890 0.35662 -0.07281 -0.04138 0.06039 262 TYR C CZ 1785 O OH . TYR A 119 ? 0.43725 0.35609 0.38875 -0.07486 -0.01151 0.08778 262 TYR C OH 1795 N N . PHE A 120 ? 0.99207 0.63908 0.53353 -0.01310 -0.08477 0.02679 263 PHE C N 1796 C CA . PHE A 120 ? 1.08243 0.67388 0.61031 -0.00967 -0.08158 0.04442 263 PHE C CA 1797 C C . PHE A 120 ? 1.08889 0.64457 0.61586 -0.01177 -0.10633 0.03540 263 PHE C C 1798 O O . PHE A 120 ? 1.11139 0.66420 0.63492 -0.02335 -0.11519 0.02438 263 PHE C O 1799 C CB . PHE A 120 ? 1.14237 0.75197 0.68324 -0.00001 -0.05425 0.05997 263 PHE C CB 1800 C CG . PHE A 120 ? 1.18803 0.76780 0.66491 0.00515 -0.02169 0.06481 263 PHE C CG 1801 C CD1 . PHE A 120 ? 1.18052 0.78762 0.72481 0.01252 -0.02131 0.07363 263 PHE C CD1 1802 C CD2 . PHE A 120 ? 1.21643 0.77439 0.69399 0.00401 -0.00424 0.05443 263 PHE C CD2 1803 C CE1 . PHE A 120 ? 1.17019 0.76437 0.68153 0.01133 -0.02199 0.07681 263 PHE C CE1 1804 C CE2 . PHE A 120 ? 1.18923 0.77524 0.68908 0.00354 -0.00435 0.05998 263 PHE C CE2 1805 C CZ . PHE A 120 ? 1.18308 0.79851 0.69788 0.00327 -0.01310 0.06666 263 PHE C CZ 1815 N N . ILE B 22 ? 0.45722 0.42196 0.30530 0.16914 -0.14379 -0.01234 1 ILE X N 1816 C CA . ILE B 22 ? 0.41860 0.41483 0.25089 0.16980 -0.12720 -0.01981 1 ILE X CA 1817 C C . ILE B 22 ? 0.38119 0.39791 0.22663 0.14601 -0.09559 -0.02363 1 ILE X C 1818 O O . ILE B 22 ? 0.37821 0.41373 0.25660 0.15168 -0.08924 -0.04181 1 ILE X O 1819 C CB . ILE B 22 ? 0.40769 0.40723 0.22746 0.17220 -0.11772 -0.04392 1 ILE X CB 1820 C CG1 . ILE B 22 ? 0.40219 0.40950 0.22700 0.16841 -0.10376 -0.07028 1 ILE X CG1 1821 C CG2 . ILE B 22 ? 0.42031 0.43555 0.27874 0.16048 -0.07575 -0.05921 1 ILE X CG2 1822 C CD1 . ILE B 22 ? 0.40836 0.41719 0.22789 0.15120 -0.06434 -0.04725 1 ILE X CD1 1834 N N . VAL B 23 ? 0.37458 0.35598 0.20028 0.12399 -0.06944 -0.01332 2 VAL X N 1835 C CA . VAL B 23 ? 0.37568 0.33214 0.17902 0.08653 -0.05731 -0.01694 2 VAL X CA 1836 C C . VAL B 23 ? 0.34803 0.31244 0.16585 0.04109 -0.03584 -0.00609 2 VAL X C 1837 O O . VAL B 23 ? 0.32909 0.33231 0.18540 0.03846 -0.03391 0.00124 2 VAL X O 1838 C CB . VAL B 23 ? 0.41671 0.34344 0.17485 0.09311 -0.06049 0.00038 2 VAL X CB 1839 C CG1 . VAL B 23 ? 0.39415 0.36062 0.19355 0.11826 -0.05121 0.00576 2 VAL X CG1 1840 C CG2 . VAL B 23 ? 0.45216 0.36522 0.15940 0.08126 -0.06493 -0.01904 2 VAL X CG2 1850 N N . CYS B 24 ? 0.31599 0.28726 0.15239 0.03866 -0.06279 -0.00465 3 CYS X N 1851 C CA . CYS B 24 ? 0.28116 0.26519 0.15668 0.04003 -0.05672 -0.00723 3 CYS X CA 1852 C C . CYS B 24 ? 0.25630 0.22216 0.16155 0.01922 -0.03470 -0.01184 3 CYS X C 1853 O O . CYS B 24 ? 0.24429 0.23188 0.17827 0.02392 -0.04233 -0.03269 3 CYS X O 1854 C CB . CYS B 24 ? 0.29376 0.26649 0.18690 0.04160 -0.06202 -0.01651 3 CYS X CB 1855 S SG . CYS B 24 ? 0.29698 0.31279 0.19993 0.06981 -0.06202 -0.02473 3 CYS X SG 1860 N N . HIS B 25 ? 0.23696 0.20463 0.15142 0.03980 -0.02475 -0.01288 4 HIS X N 1861 C CA . HIS B 25 ? 0.24152 0.20902 0.18141 0.03717 -0.01444 -0.02380 4 HIS X CA 1862 C C . HIS B 25 ? 0.22826 0.23167 0.16798 0.04797 -0.02347 -0.04243 4 HIS X C 1863 O O . HIS B 25 ? 0.21389 0.25564 0.16486 0.02408 -0.01369 -0.01275 4 HIS X O 1864 C CB . HIS B 25 ? 0.26469 0.21713 0.19549 0.01741 -0.02956 -0.02241 4 HIS X CB 1865 C CG . HIS B 25 ? 0.25099 0.26455 0.19164 0.03718 -0.03495 -0.02758 4 HIS X CG 1866 N ND1 . HIS B 25 ? 0.24929 0.30261 0.19838 0.03682 -0.02163 -0.01296 4 HIS X ND1 1867 C CD2 . HIS B 25 ? 0.27148 0.28487 0.17017 0.07921 -0.01034 -0.01884 4 HIS X CD2 1868 C CE1 . HIS B 25 ? 0.23882 0.28496 0.20726 0.07448 0.00279 -0.01387 4 HIS X CE1 1869 N NE2 . HIS B 25 ? 0.25436 0.27288 0.19013 0.07888 -0.00576 -0.02321 4 HIS X NE2 1877 N N . THR B 26 ? 0.22631 0.25173 0.16688 0.03425 -0.03606 -0.03648 5 THR X N 1878 C CA . THR B 26 ? 0.21642 0.24620 0.18380 0.02884 -0.03817 -0.01959 5 THR X CA 1879 C C . THR B 26 ? 0.21161 0.24242 0.19619 0.01542 -0.00513 -0.02251 5 THR X C 1880 O O . THR B 26 ? 0.21392 0.27623 0.16801 0.01600 -0.00576 0.00148 5 THR X O 1881 C CB . THR B 26 ? 0.21871 0.24552 0.21733 0.00333 -0.02498 -0.04522 5 THR X CB 1882 O OG1 . THR B 26 ? 0.24274 0.26739 0.22986 -0.00169 -0.03675 -0.02334 5 THR X OG1 1883 C CG2 . THR B 26 ? 0.24621 0.27218 0.21664 -0.00694 -0.03469 -0.06746 5 THR X CG2 1891 N N . THR B 27 ? 0.19187 0.22922 0.19096 0.00866 0.01483 -0.03636 6 THR X N 1892 C CA . THR B 27 ? 0.18469 0.21491 0.19377 0.02282 -0.01986 -0.04180 6 THR X CA 1893 C C . THR B 27 ? 0.21222 0.21943 0.19786 0.03950 -0.03299 -0.01693 6 THR X C 1894 O O . THR B 27 ? 0.22606 0.23840 0.22298 0.00457 -0.01279 -0.01778 6 THR X O 1895 C CB . THR B 27 ? 0.18320 0.20490 0.19167 0.02825 -0.03177 -0.04416 6 THR X CB 1896 O OG1 . THR B 27 ? 0.20139 0.21680 0.20025 0.01544 -0.00277 -0.03742 6 THR X OG1 1897 C CG2 . THR B 27 ? 0.18262 0.24934 0.17510 0.01557 -0.02978 -0.03673 6 THR X CG2 1905 N N . ALA B 28 ? 0.19149 0.23976 0.18246 0.01729 -0.00360 -0.02569 7 ALA X N 1906 C CA . ALA B 28 ? 0.21267 0.27311 0.24885 0.01371 0.01149 -0.05957 7 ALA X CA 1907 C C . ALA B 28 ? 0.18660 0.24867 0.22813 -0.00128 0.01032 -0.06487 7 ALA X C 1908 O O . ALA B 28 ? 0.23947 0.30080 0.30139 -0.00832 0.04925 -0.09708 7 ALA X O 1909 C CB . ALA B 28 ? 0.24071 0.32183 0.30889 0.02093 0.02729 -0.08486 7 ALA X CB 1915 N N . THR B 29 ? 0.18484 0.23137 0.19247 0.01568 0.01385 -0.05015 8 THR X N 1916 C CA . THR B 29 ? 0.18435 0.23077 0.18244 0.00628 0.00993 -0.02598 8 THR X CA 1917 C C . THR B 29 ? 0.20092 0.25761 0.16450 -0.01432 0.00351 -0.02733 8 THR X C 1918 O O . THR B 29 ? 0.20992 0.27111 0.15777 0.01307 -0.01164 -0.02108 8 THR X O 1919 C CB . THR B 29 ? 0.19079 0.20854 0.18317 -0.00273 0.00641 -0.00604 8 THR X CB 1920 O OG1 . THR B 29 ? 0.20009 0.19046 0.18204 -0.00588 -0.00839 0.00694 8 THR X OG1 1921 C CG2 . THR B 29 ? 0.17076 0.28750 0.18876 0.02313 -0.01986 -0.00631 8 THR X CG2 1929 N N . SER B 30 ? 0.18341 0.23425 0.16931 0.00440 -0.01714 -0.03295 9 SER X N 1930 C CA . SER B 30 ? 0.16460 0.21185 0.17246 -0.00467 -0.00488 -0.00456 9 SER X CA 1931 C C . SER B 30 ? 0.19581 0.20285 0.16746 -0.00384 -0.00228 -0.03849 9 SER X C 1932 O O . SER B 30 ? 0.19671 0.24067 0.18341 -0.00228 -0.00313 -0.04879 9 SER X O 1933 C CB . SER B 30 ? 0.21479 0.25269 0.21455 0.02590 -0.03316 0.00975 9 SER X CB 1934 O OG . SER B 30 ? 0.25042 0.30785 0.23947 0.02561 -0.00922 0.01263 9 SER X OG 1940 N N . PRO B 31 ? 0.18722 0.23328 0.16304 -0.01604 -0.00697 -0.01476 10 PRO X N 1941 C CA . PRO B 31 ? 0.18903 0.23162 0.16093 -0.01171 0.00234 -0.00123 10 PRO X CA 1942 C C . PRO B 31 ? 0.18949 0.25062 0.15801 -0.00569 -0.00215 -0.00603 10 PRO X C 1943 O O . PRO B 31 ? 0.20227 0.26371 0.14967 0.00404 -0.01315 -0.02134 10 PRO X O 1944 C CB . PRO B 31 ? 0.21556 0.25676 0.15999 0.00027 -0.01052 0.00464 10 PRO X CB 1945 C CG . PRO B 31 ? 0.19566 0.26963 0.16297 -0.00101 0.01112 -0.00265 10 PRO X CG 1946 C CD . PRO B 31 ? 0.17972 0.27402 0.17586 -0.01689 0.01413 0.01094 10 PRO X CD 1954 N N . ILE B 32 ? 0.19619 0.24057 0.17147 0.01512 -0.02919 -0.02528 11 ILE X N 1955 C CA . ILE B 32 ? 0.18635 0.22628 0.16097 0.00829 -0.01947 -0.03617 11 ILE X CA 1956 C C . ILE B 32 ? 0.19311 0.25707 0.16500 0.01033 -0.00194 -0.02110 11 ILE X C 1957 O O . ILE B 32 ? 0.20829 0.27908 0.17953 0.04426 -0.01577 -0.02597 11 ILE X O 1958 C CB . ILE B 32 ? 0.20371 0.22447 0.17819 0.01200 -0.04244 -0.04308 11 ILE X CB 1959 C CG1 . ILE B 32 ? 0.22005 0.22527 0.22733 0.00195 -0.05064 -0.05647 11 ILE X CG1 1960 C CG2 . ILE B 32 ? 0.23354 0.23362 0.17295 0.04092 -0.02970 -0.04422 11 ILE X CG2 1961 C CD1 . ILE B 32 ? 0.25607 0.25029 0.24052 0.02281 -0.05781 -0.07275 11 ILE X CD1 1973 N N . SER B 33 ? 0.19066 0.26192 0.15808 0.00539 -0.01716 -0.01240 12 SER X N 1974 C CA . SER B 33 ? 0.20414 0.26111 0.16197 0.00669 -0.02765 -0.00874 12 SER X CA 1975 C C . SER B 33 ? 0.21972 0.26167 0.15532 0.02847 -0.03146 -0.01869 12 SER X C 1976 O O . SER B 33 ? 0.24285 0.29109 0.17774 0.05539 -0.00725 -0.02308 12 SER X O 1977 C CB . SER B 33 ? 0.23159 0.26871 0.16440 -0.00956 -0.01507 -0.01013 12 SER X CB 1978 O OG . SER B 33 ? 0.25212 0.29120 0.17202 0.00337 -0.01192 -0.00956 12 SER X OG 1984 N N . ALA B 34 ? 0.22621 0.25234 0.15545 0.03840 -0.03014 -0.01427 13 ALA X N 1985 C CA . ALA B 34 ? 0.22779 0.23664 0.19042 0.00297 -0.02884 -0.02578 13 ALA X CA 1986 C C . ALA B 34 ? 0.22231 0.25926 0.18415 0.02473 -0.03246 -0.03154 13 ALA X C 1987 O O . ALA B 34 ? 0.24419 0.24738 0.17846 0.04890 -0.02816 -0.03866 13 ALA X O 1988 C CB . ALA B 34 ? 0.26183 0.23102 0.22568 -0.00028 -0.02014 -0.00518 13 ALA X CB 1994 N N . VAL B 35 ? 0.24307 0.29824 0.17754 0.04803 -0.04320 -0.05345 14 VAL X N 1995 C CA . VAL B 35 ? 0.26013 0.33483 0.19816 0.03234 -0.03741 -0.06152 14 VAL X CA 1996 C C . VAL B 35 ? 0.27865 0.33208 0.18886 0.05330 -0.03434 -0.06256 14 VAL X C 1997 O O . VAL B 35 ? 0.30082 0.29785 0.19256 0.06060 -0.06142 -0.04827 14 VAL X O 1998 C CB . VAL B 35 ? 0.29227 0.33893 0.24395 -0.00462 -0.05661 -0.07457 14 VAL X CB 1999 C CG1 . VAL B 35 ? 0.29269 0.33745 0.24865 -0.01153 -0.04065 -0.05740 14 VAL X CG1 2000 C CG2 . VAL B 35 ? 0.32451 0.38118 0.28872 0.00620 -0.05984 -0.07153 14 VAL X CG2 2010 N N . THR B 36 ? 0.29381 0.38043 0.20094 0.08293 -0.06531 -0.07087 15 THR X N 2011 C CA . THR B 36 ? 0.30583 0.40548 0.20147 0.11235 -0.09375 -0.06429 15 THR X CA 2012 C C . THR B 36 ? 0.30531 0.40245 0.26024 0.09769 -0.08802 -0.07883 15 THR X C 2013 O O . THR B 36 ? 0.31326 0.38872 0.28832 0.06629 -0.07492 -0.08985 15 THR X O 2014 C CB . THR B 36 ? 0.38910 0.46957 0.22026 0.10226 -0.13118 -0.05495 15 THR X CB 2015 O OG1 . THR B 36 ? 0.39366 0.49503 0.20514 0.10235 -0.10685 -0.06120 15 THR X OG1 2016 C CG2 . THR B 36 ? 0.41164 0.47392 0.23715 0.10627 -0.14698 -0.04090 15 THR X CG2 2024 N N . CYS B 37 ? 0.27430 0.41986 0.26591 0.10049 -0.07978 -0.06127 16 CYS X N 2025 C CA . CYS B 37 ? 0.28891 0.44380 0.29308 0.08463 -0.07976 -0.09443 16 CYS X CA 2026 C C . CYS B 37 ? 0.30124 0.47934 0.33871 0.07324 -0.10957 -0.12235 16 CYS X C 2027 O O . CYS B 37 ? 0.29514 0.47623 0.32283 0.06245 -0.09237 -0.11437 16 CYS X O 2028 C CB . CYS B 37 ? 0.29436 0.44603 0.26545 0.05210 -0.08495 -0.06970 16 CYS X CB 2029 S SG . CYS B 37 ? 0.33997 0.45958 0.26212 0.04121 -0.11389 -0.05428 16 CYS X SG 2034 N N . PRO B 38 ? 0.29437 0.52294 0.36381 0.06083 -0.14048 -0.12882 17 PRO X N 2035 C CA . PRO B 38 ? 0.32593 0.53768 0.39466 0.05012 -0.11896 -0.12193 17 PRO X CA 2036 C C . PRO B 38 ? 0.35369 0.58286 0.41055 0.06149 -0.14407 -0.16220 17 PRO X C 2037 O O . PRO B 38 ? 0.29655 0.57331 0.40383 0.06389 -0.13120 -0.16021 17 PRO X O 2038 C CB . PRO B 38 ? 0.34127 0.54090 0.40895 0.05033 -0.10354 -0.09949 17 PRO X CB 2039 C CG . PRO B 38 ? 0.34903 0.53477 0.39712 0.06316 -0.10338 -0.12398 17 PRO X CG 2040 C CD . PRO B 38 ? 0.29161 0.54230 0.37697 0.05987 -0.14902 -0.14520 17 PRO X CD 2048 N N . PRO B 39 ? 0.34493 0.58621 0.40166 0.08321 -0.17415 -0.17133 18 PRO X N 2049 C CA . PRO B 39 ? 0.37255 0.61699 0.42564 0.09439 -0.19898 -0.14849 18 PRO X CA 2050 C C . PRO B 39 ? 0.31627 0.61179 0.43489 0.13196 -0.16964 -0.12886 18 PRO X C 2051 O O . PRO B 39 ? 0.30090 0.63212 0.44888 0.13053 -0.11159 -0.10914 18 PRO X O 2052 C CB . PRO B 39 ? 0.39097 0.61070 0.42778 0.08677 -0.20673 -0.15358 18 PRO X CB 2053 C CG . PRO B 39 ? 0.39261 0.60043 0.42931 0.09581 -0.20002 -0.17714 18 PRO X CG 2054 C CD . PRO B 39 ? 0.39394 0.59916 0.42690 0.09842 -0.19629 -0.18580 18 PRO X CD 2062 N N . GLY B 40 ? 0.30698 0.57577 0.42120 0.15798 -0.15370 -0.12393 19 GLY X N 2063 C CA . GLY B 40 ? 0.33379 0.57906 0.42806 0.16621 -0.14136 -0.12775 19 GLY X CA 2064 C C . GLY B 40 ? 0.34749 0.57481 0.41278 0.16962 -0.13544 -0.11458 19 GLY X C 2065 O O . GLY B 40 ? 0.37663 0.59516 0.42205 0.18047 -0.13101 -0.11561 19 GLY X O 2069 N N . GLU B 41 ? 0.34217 0.55422 0.38168 0.14650 -0.11677 -0.10437 20 GLU X N 2070 C CA . GLU B 41 ? 0.34162 0.53136 0.35951 0.11229 -0.12492 -0.11413 20 GLU X CA 2071 C C . GLU B 41 ? 0.35118 0.49407 0.34207 0.12474 -0.11775 -0.11438 20 GLU X C 2072 O O . GLU B 41 ? 0.36513 0.45598 0.35616 0.10895 -0.10367 -0.12864 20 GLU X O 2073 C CB . GLU B 41 ? 0.32975 0.53536 0.36062 0.07198 -0.14826 -0.13255 20 GLU X CB 2074 C CG . GLU B 41 ? 0.33598 0.55703 0.39180 0.04738 -0.15945 -0.12562 20 GLU X CG 2075 C CD . GLU B 41 ? 0.34453 0.56903 0.43199 0.03678 -0.10943 -0.09150 20 GLU X CD 2076 O OE1 . GLU B 41 ? 0.30416 0.58442 0.41569 0.06773 -0.07403 -0.06929 20 GLU X OE1 2077 O OE2 . GLU B 41 ? 0.36933 0.60448 0.49662 0.00536 -0.11581 -0.07376 20 GLU X OE2 2084 N N . ASN B 42 ? 0.34764 0.48891 0.30471 0.15890 -0.12980 -0.09145 21 ASN X N 2085 C CA . ASN B 42 ? 0.35401 0.47607 0.28855 0.17819 -0.13308 -0.05128 21 ASN X CA 2086 C C . ASN B 42 ? 0.36266 0.43332 0.25537 0.15443 -0.10232 -0.03275 21 ASN X C 2087 O O . ASN B 42 ? 0.41124 0.42662 0.24678 0.16204 -0.07150 -0.01851 21 ASN X O 2088 C CB . ASN B 42 ? 0.37316 0.50533 0.30195 0.19218 -0.13606 -0.05263 21 ASN X CB 2089 C CG . ASN B 42 ? 0.42345 0.55839 0.30546 0.17700 -0.14556 -0.06711 21 ASN X CG 2090 O OD1 . ASN B 42 ? 0.46965 0.56814 0.30751 0.13245 -0.16756 -0.10746 21 ASN X OD1 2091 N ND2 . ASN B 42 ? 0.42353 0.57802 0.30899 0.19792 -0.11269 -0.01447 21 ASN X ND2 2098 N N . LEU B 43 ? 0.31577 0.41274 0.24038 0.15979 -0.10061 -0.03881 22 LEU X N 2099 C CA . LEU B 43 ? 0.32762 0.38388 0.24161 0.13016 -0.08913 -0.05576 22 LEU X CA 2100 C C . LEU B 43 ? 0.31532 0.34081 0.22399 0.11269 -0.09482 -0.04588 22 LEU X C 2101 O O . LEU B 43 ? 0.32318 0.37564 0.26816 0.10664 -0.10227 -0.06066 22 LEU X O 2102 C CB . LEU B 43 ? 0.35601 0.40848 0.26812 0.13890 -0.06000 -0.05054 22 LEU X CB 2103 C CG . LEU B 43 ? 0.38719 0.41777 0.30197 0.16549 -0.03816 -0.05694 22 LEU X CG 2104 C CD1 . LEU B 43 ? 0.39042 0.43710 0.31596 0.20150 -0.02099 -0.07136 22 LEU X CD1 2105 C CD2 . LEU B 43 ? 0.42442 0.43506 0.33741 0.16513 -0.03291 -0.04066 22 LEU X CD2 2117 N N . CYS B 44 ? 0.30466 0.31065 0.19514 0.09313 -0.06929 -0.00292 23 CYS X N 2118 C CA . CYS B 44 ? 0.27527 0.29721 0.18001 0.07243 -0.02815 -0.02127 23 CYS X CA 2119 C C . CYS B 44 ? 0.26002 0.29899 0.17834 0.06007 -0.02491 -0.03425 23 CYS X C 2120 O O . CYS B 44 ? 0.30113 0.31817 0.19432 0.06319 -0.04499 -0.04111 23 CYS X O 2121 C CB . CYS B 44 ? 0.26382 0.25567 0.17705 0.04335 -0.01361 0.00211 23 CYS X CB 2122 S SG . CYS B 44 ? 0.30742 0.28323 0.19758 0.06734 -0.03905 0.00001 23 CYS X SG 2127 N N . TYR B 45 ? 0.23559 0.29731 0.17068 0.04997 -0.04178 -0.02386 24 TYR X N 2128 C CA . TYR B 45 ? 0.24209 0.28191 0.15682 0.07277 -0.01043 0.00227 24 TYR X CA 2129 C C . TYR B 45 ? 0.26755 0.25810 0.15633 0.07725 0.01096 -0.01802 24 TYR X C 2130 O O . TYR B 45 ? 0.24425 0.25749 0.14871 0.05869 -0.02792 -0.01552 24 TYR X O 2131 C CB . TYR B 45 ? 0.23472 0.30960 0.21097 0.05240 -0.03879 -0.03591 24 TYR X CB 2132 C CG . TYR B 45 ? 0.21988 0.30339 0.22344 0.01863 -0.04138 -0.05512 24 TYR X CG 2133 C CD1 . TYR B 45 ? 0.22442 0.31641 0.23316 -0.00998 -0.05434 -0.06359 24 TYR X CD1 2134 C CD2 . TYR B 45 ? 0.21503 0.30553 0.24004 0.01778 -0.03601 -0.07833 24 TYR X CD2 2135 C CE1 . TYR B 45 ? 0.17083 0.31418 0.23804 -0.00557 -0.03768 -0.03991 24 TYR X CE1 2136 C CE2 . TYR B 45 ? 0.19444 0.29812 0.23100 -0.00128 -0.05431 -0.06435 24 TYR X CE2 2137 C CZ . TYR B 45 ? 0.21105 0.31149 0.25685 0.01225 -0.04955 -0.04273 24 TYR X CZ 2138 O OH . TYR B 45 ? 0.24062 0.31653 0.26794 0.03363 -0.04276 -0.01990 24 TYR X OH 2148 N N . ARG B 46 ? 0.28842 0.22775 0.15529 0.08486 0.00900 -0.01853 25 ARG X N 2149 C CA . ARG B 46 ? 0.26326 0.22250 0.16465 0.06396 0.00802 0.01004 25 ARG X CA 2150 C C . ARG B 46 ? 0.22596 0.21047 0.17883 0.06740 -0.02365 -0.01643 25 ARG X C 2151 O O . ARG B 46 ? 0.26201 0.21802 0.19676 0.07884 -0.00690 -0.01077 25 ARG X O 2152 C CB . ARG B 46 ? 0.27782 0.26823 0.19581 0.01232 0.01121 0.01190 25 ARG X CB 2153 C CG . ARG B 46 ? 0.30422 0.25772 0.21599 -0.01772 0.01833 0.00890 25 ARG X CG 2154 C CD . ARG B 46 ? 0.28386 0.22753 0.21267 -0.03688 0.05716 -0.02309 25 ARG X CD 2155 N NE . ARG B 46 ? 0.28508 0.26490 0.25189 -0.00027 0.02263 -0.05450 25 ARG X NE 2156 C CZ . ARG B 46 ? 0.29507 0.25339 0.22972 0.06050 0.01394 -0.06047 25 ARG X CZ 2157 N NH1 . ARG B 46 ? 0.31235 0.26303 0.19960 0.06604 0.01527 -0.01683 25 ARG X NH1 2158 N NH2 . ARG B 46 ? 0.31517 0.30315 0.24407 0.05792 -0.04094 -0.06793 25 ARG X NH2 2172 N N . LYS B 47 ? 0.21258 0.24132 0.17620 0.03706 -0.00261 -0.01363 26 LYS X N 2173 C CA . LYS B 47 ? 0.24605 0.24608 0.17265 0.03124 0.00191 -0.00279 26 LYS X CA 2174 C C . LYS B 47 ? 0.25569 0.24263 0.17595 0.05888 0.00047 -0.01665 26 LYS X C 2175 O O . LYS B 47 ? 0.24938 0.26073 0.17872 0.06444 -0.01621 -0.00864 26 LYS X O 2176 C CB . LYS B 47 ? 0.23845 0.27876 0.22123 0.01105 0.05265 -0.02039 26 LYS X CB 2177 C CG . LYS B 47 ? 0.20050 0.35577 0.24228 -0.00646 0.04697 -0.02797 26 LYS X CG 2178 C CD . LYS B 47 ? 0.22426 0.41055 0.28641 -0.01919 0.07125 -0.03169 26 LYS X CD 2179 C CE . LYS B 47 ? 0.29897 0.44189 0.36010 -0.01700 0.05010 -0.02968 26 LYS X CE 2180 N NZ . LYS B 47 ? 0.29398 0.45657 0.36098 -0.02296 0.02169 -0.04615 26 LYS X NZ 2194 N N . MET B 48 ? 0.24663 0.25530 0.15014 0.05602 0.01259 -0.02003 27 MET X N 2195 C CA . MET B 48 ? 0.24152 0.27848 0.15642 0.07445 0.00703 -0.00526 27 MET X CA 2196 C C . MET B 48 ? 0.22192 0.30412 0.14144 0.06864 -0.00258 -0.02729 27 MET X C 2197 O O . MET B 48 ? 0.24122 0.31982 0.15483 0.07866 -0.00707 -0.00880 27 MET X O 2198 C CB . MET B 48 ? 0.24658 0.34315 0.19537 0.00511 0.02759 -0.02001 27 MET X CB 2199 C CG . MET B 48 ? 0.27586 0.40831 0.26915 -0.03786 0.05933 -0.02795 27 MET X CG 2200 S SD . MET B 48 ? 0.42658 0.51113 0.37045 -0.01483 0.06077 0.00366 27 MET X SD 2201 C CE . MET B 48 ? 0.43424 0.36403 0.28996 0.01662 0.16670 0.10449 27 MET X CE 2211 N N . TRP B 49 ? 0.19706 0.29521 0.13661 0.03634 0.00749 -0.02344 28 TRP X N 2212 C CA . TRP B 49 ? 0.20129 0.26639 0.15636 0.05612 0.02508 -0.00588 28 TRP X CA 2213 C C . TRP B 49 ? 0.20564 0.24417 0.15992 0.04126 0.01146 -0.00437 28 TRP X C 2214 O O . TRP B 49 ? 0.20643 0.26390 0.18291 0.04989 0.01422 -0.01211 28 TRP X O 2215 C CB . TRP B 49 ? 0.20583 0.28236 0.18384 0.01878 0.01078 0.02258 28 TRP X CB 2216 C CG . TRP B 49 ? 0.23974 0.28813 0.19517 -0.00434 -0.00152 0.03345 28 TRP X CG 2217 C CD1 . TRP B 49 ? 0.24558 0.27032 0.17297 -0.00502 -0.00742 0.01625 28 TRP X CD1 2218 C CD2 . TRP B 49 ? 0.22318 0.27107 0.19125 -0.01942 -0.00527 0.00661 28 TRP X CD2 2219 N NE1 . TRP B 49 ? 0.25615 0.30296 0.18589 -0.02526 -0.01226 0.01176 28 TRP X NE1 2220 C CE2 . TRP B 49 ? 0.22674 0.29628 0.18897 -0.02518 0.00174 0.01201 28 TRP X CE2 2221 C CE3 . TRP B 49 ? 0.24819 0.27724 0.19225 -0.01697 -0.01178 -0.01264 28 TRP X CE3 2222 C CZ2 . TRP B 49 ? 0.23566 0.28636 0.19032 -0.01920 0.01443 0.01399 28 TRP X CZ2 2223 C CZ3 . TRP B 49 ? 0.25960 0.25205 0.19145 0.00203 -0.00539 -0.00833 28 TRP X CZ3 2224 C CH2 . TRP B 49 ? 0.24080 0.25686 0.17839 -0.02768 0.01252 0.00234 28 TRP X CH2 2235 N N . CYS B 50 ? 0.23736 0.27556 0.12946 0.02091 0.00605 0.01226 29 CYS X N 2236 C CA . CYS B 50 ? 0.22706 0.29935 0.16259 0.00070 -0.01905 0.00435 29 CYS X CA 2237 C C . CYS B 50 ? 0.21145 0.31616 0.17213 0.01658 -0.00282 0.00716 29 CYS X C 2238 O O . CYS B 50 ? 0.21254 0.34342 0.19593 0.03969 0.01740 0.01995 29 CYS X O 2239 C CB . CYS B 50 ? 0.25651 0.32243 0.18123 0.00776 -0.04144 -0.00178 29 CYS X CB 2240 S SG . CYS B 50 ? 0.29153 0.32200 0.20913 0.02899 -0.02350 -0.04158 29 CYS X SG 2245 N N . ASP B 51 ? 0.21387 0.32063 0.18818 0.02338 -0.00590 0.02483 30 ASP X N 2246 C CA . ASP B 51 ? 0.24117 0.33823 0.19360 0.04787 0.01171 0.01874 30 ASP X CA 2247 C C . ASP B 51 ? 0.25717 0.35585 0.18369 0.05404 0.00795 0.01327 30 ASP X C 2248 O O . ASP B 51 ? 0.27778 0.32078 0.17459 0.05934 0.03224 0.00655 30 ASP X O 2249 C CB . ASP B 51 ? 0.24154 0.32174 0.19881 0.03048 0.02267 0.02470 30 ASP X CB 2250 C CG . ASP B 51 ? 0.22452 0.31484 0.17993 0.03033 0.01885 0.02703 30 ASP X CG 2251 O OD1 . ASP B 51 ? 0.22997 0.30091 0.16993 0.02954 0.01307 -0.00016 30 ASP X OD1 2252 O OD2 . ASP B 51 ? 0.24715 0.33586 0.19815 0.04044 0.02669 0.00191 30 ASP X OD2 2257 N N . ALA B 52 ? 0.28210 0.39394 0.19004 0.05813 0.04255 0.04127 31 ALA X N 2258 C CA . ALA B 52 ? 0.37487 0.43626 0.22100 0.07856 0.02540 0.07534 31 ALA X CA 2259 C C . ALA B 52 ? 0.32863 0.45400 0.21535 0.09315 0.01758 0.01692 31 ALA X C 2260 O O . ALA B 52 ? 0.38236 0.54414 0.22066 0.12420 0.00824 -0.00807 31 ALA X O 2261 C CB . ALA B 52 ? 0.38949 0.44009 0.22570 0.07239 0.01605 0.13882 31 ALA X CB 2267 N N . PHE B 53 ? 0.26437 0.39107 0.19869 0.09684 0.00527 -0.00473 32 PHE X N 2268 C CA . PHE B 53 ? 0.23605 0.35354 0.18426 0.07488 -0.02036 -0.02390 32 PHE X CA 2269 C C . PHE B 53 ? 0.21309 0.35982 0.18694 0.02870 -0.03774 -0.05290 32 PHE X C 2270 O O . PHE B 53 ? 0.22350 0.37880 0.19227 0.03677 -0.03586 -0.04883 32 PHE X O 2271 C CB . PHE B 53 ? 0.22926 0.33410 0.18398 0.08753 -0.01349 -0.01928 32 PHE X CB 2272 C CG . PHE B 53 ? 0.22217 0.34266 0.20016 0.10082 -0.03098 -0.01661 32 PHE X CG 2273 C CD1 . PHE B 53 ? 0.27404 0.36554 0.22165 0.08194 -0.01327 -0.00149 32 PHE X CD1 2274 C CD2 . PHE B 53 ? 0.24636 0.33624 0.22480 0.07987 -0.04419 -0.00190 32 PHE X CD2 2275 C CE1 . PHE B 53 ? 0.28717 0.35882 0.23894 0.06981 -0.01570 0.00492 32 PHE X CE1 2276 C CE2 . PHE B 53 ? 0.28226 0.34611 0.24596 0.08062 -0.03979 0.01219 32 PHE X CE2 2277 C CZ . PHE B 53 ? 0.31722 0.36051 0.24997 0.05933 -0.04066 0.00917 32 PHE X CZ 2287 N N . CYS B 54 ? 0.21679 0.36323 0.16396 0.06335 -0.02952 -0.04554 33 CYS X N 2288 C CA . CYS B 54 ? 0.22506 0.35206 0.19387 0.07235 -0.04872 -0.05476 33 CYS X CA 2289 C C . CYS B 54 ? 0.24846 0.34572 0.22936 0.06430 -0.05217 -0.06437 33 CYS X C 2290 O O . CYS B 54 ? 0.25862 0.31252 0.22777 0.04891 -0.04188 -0.06381 33 CYS X O 2291 C CB . CYS B 54 ? 0.25148 0.35604 0.19680 0.06551 -0.04022 -0.03773 33 CYS X CB 2292 S SG . CYS B 54 ? 0.26040 0.32005 0.17295 0.06666 -0.02159 -0.04926 33 CYS X SG 2297 N N . SER B 55 ? 0.28363 0.37530 0.22485 0.07368 -0.07715 -0.08760 34 SER X N 2298 C CA . SER B 55 ? 0.29881 0.37233 0.25121 0.05728 -0.09453 -0.11281 34 SER X CA 2299 C C . SER B 55 ? 0.28732 0.35601 0.28888 0.04134 -0.09941 -0.12601 34 SER X C 2300 O O . SER B 55 ? 0.32315 0.39178 0.35821 0.04238 -0.10266 -0.13839 34 SER X O 2301 C CB . SER B 55 ? 0.34315 0.41600 0.27352 0.04793 -0.11497 -0.10855 34 SER X CB 2302 O OG . SER B 55 ? 0.42883 0.42746 0.28787 0.04255 -0.10634 -0.09374 34 SER X OG 2308 N N . SER B 56 ? 0.25970 0.33026 0.21472 0.06323 -0.07699 -0.10393 35 SER X N 2309 C CA A SER B 56 ? 0.23315 0.33226 0.22232 0.03499 -0.06740 -0.08793 35 SER X CA 2310 C CA B SER B 56 ? 0.24369 0.33766 0.22267 0.05347 -0.06137 -0.09334 35 SER X CA 2311 C C . SER B 56 ? 0.23283 0.31496 0.23712 0.02926 -0.04351 -0.07960 35 SER X C 2312 O O . SER B 56 ? 0.21797 0.29888 0.26506 0.01815 -0.04887 -0.05564 35 SER X O 2313 C CB A SER B 56 ? 0.24575 0.34903 0.22446 0.03374 -0.06413 -0.07467 35 SER X CB 2314 C CB B SER B 56 ? 0.24965 0.36095 0.21657 0.06566 -0.04935 -0.07753 35 SER X CB 2315 O OG A SER B 56 ? 0.26686 0.32164 0.22520 0.03765 -0.07563 -0.06120 35 SER X OG 2316 O OG B SER B 56 ? 0.24672 0.36763 0.21693 0.08436 -0.04610 -0.07328 35 SER X OG 2327 N N . ARG B 57 ? 0.21116 0.26759 0.21470 0.01697 -0.04460 -0.05606 36 ARG X N 2328 C CA . ARG B 57 ? 0.19218 0.25072 0.18859 0.00862 -0.02301 -0.05588 36 ARG X CA 2329 C C . ARG B 57 ? 0.18831 0.27379 0.21916 0.00252 -0.02378 -0.04138 36 ARG X C 2330 O O . ARG B 57 ? 0.21699 0.24217 0.20046 0.01353 -0.00095 -0.01846 36 ARG X O 2331 C CB . ARG B 57 ? 0.20345 0.20597 0.16919 0.03715 -0.03281 -0.02327 36 ARG X CB 2332 C CG . ARG B 57 ? 0.22498 0.21000 0.17549 0.02806 -0.02626 -0.01928 36 ARG X CG 2333 C CD . ARG B 57 ? 0.19795 0.25067 0.17964 0.01486 -0.02968 -0.02501 36 ARG X CD 2334 N NE . ARG B 57 ? 0.17980 0.26156 0.17731 0.01115 -0.03774 0.00254 36 ARG X NE 2335 C CZ . ARG B 57 ? 0.18294 0.23771 0.16601 0.02367 -0.02717 -0.01249 36 ARG X CZ 2336 N NH1 . ARG B 57 ? 0.18384 0.23173 0.16452 0.00808 -0.00152 -0.00248 36 ARG X NH1 2337 N NH2 . ARG B 57 ? 0.17640 0.22303 0.17825 0.02974 -0.02527 -0.00623 36 ARG X NH2 2351 N N . GLY B 58 ? 0.18824 0.27480 0.21654 0.03096 -0.05639 -0.02238 37 GLY X N 2352 C CA . GLY B 58 ? 0.20008 0.27091 0.23077 0.01518 -0.01674 -0.03235 37 GLY X CA 2353 C C . GLY B 58 ? 0.19021 0.24295 0.18834 0.01513 -0.02288 -0.02482 37 GLY X C 2354 O O . GLY B 58 ? 0.19373 0.23713 0.19202 -0.00221 -0.00596 -0.02602 37 GLY X O 2358 N N . LYS B 59 ? 0.19566 0.24371 0.19999 0.00216 -0.01626 -0.01927 38 LYS X N 2359 C CA . LYS B 59 ? 0.18003 0.25499 0.20818 0.00456 -0.00177 -0.03909 38 LYS X CA 2360 C C . LYS B 59 ? 0.14552 0.25546 0.19085 0.00176 -0.00120 -0.01071 38 LYS X C 2361 O O . LYS B 59 ? 0.17539 0.24705 0.20131 0.01800 -0.00481 -0.02395 38 LYS X O 2362 C CB . LYS B 59 ? 0.21301 0.27325 0.25383 0.02550 -0.01193 -0.06922 38 LYS X CB 2363 C CG . LYS B 59 ? 0.29301 0.28791 0.29084 0.05105 -0.04968 -0.10376 38 LYS X CG 2364 C CD . LYS B 59 ? 0.35015 0.33481 0.32144 0.09423 -0.04943 -0.10683 38 LYS X CD 2365 C CE . LYS B 59 ? 0.42320 0.38709 0.36024 0.08537 -0.07643 -0.11560 38 LYS X CE 2366 N NZ . LYS B 59 ? 0.51316 0.48987 0.40904 0.04380 -0.05964 -0.11871 38 LYS X NZ 2380 N N . VAL B 60 ? 0.13940 0.24680 0.15677 0.01675 -0.00155 -0.02967 39 VAL X N 2381 C CA . VAL B 60 ? 0.18211 0.23505 0.17430 0.02300 0.00943 -0.01177 39 VAL X CA 2382 C C . VAL B 60 ? 0.19692 0.23238 0.18276 0.03451 -0.01005 -0.03545 39 VAL X C 2383 O O . VAL B 60 ? 0.19673 0.22782 0.17092 0.04698 -0.01528 -0.03033 39 VAL X O 2384 C CB . VAL B 60 ? 0.22169 0.22669 0.17776 0.00982 0.00818 0.00697 39 VAL X CB 2385 C CG1 . VAL B 60 ? 0.21426 0.21692 0.18673 -0.02423 0.00765 -0.01670 39 VAL X CG1 2386 C CG2 . VAL B 60 ? 0.26060 0.27981 0.18916 0.02093 0.02402 0.00854 39 VAL X CG2 2396 N N . VAL B 61 ? 0.18466 0.22809 0.17433 0.02183 0.00467 -0.03151 40 VAL X N 2397 C CA . VAL B 61 ? 0.19964 0.23392 0.17502 0.03413 -0.01625 -0.02976 40 VAL X CA 2398 C C . VAL B 61 ? 0.19938 0.19613 0.17247 0.03464 -0.01124 -0.00776 40 VAL X C 2399 O O . VAL B 61 ? 0.19332 0.17037 0.18617 0.01824 -0.00932 -0.01242 40 VAL X O 2400 C CB . VAL B 61 ? 0.27148 0.25190 0.19438 0.00345 -0.02174 -0.02444 40 VAL X CB 2401 C CG1 . VAL B 61 ? 0.36748 0.25778 0.20034 -0.01454 -0.00776 -0.03400 40 VAL X CG1 2402 C CG2 . VAL B 61 ? 0.27000 0.27762 0.20213 -0.01347 -0.05768 0.00673 40 VAL X CG2 2412 N N . GLU B 62 ? 0.18774 0.21474 0.15747 0.04255 -0.02280 -0.01151 41 GLU X N 2413 C CA . GLU B 62 ? 0.18271 0.21759 0.17516 -0.00026 0.00286 -0.00480 41 GLU X CA 2414 C C . GLU B 62 ? 0.17524 0.18091 0.17239 0.01070 0.00173 -0.00353 41 GLU X C 2415 O O . GLU B 62 ? 0.21768 0.19435 0.17052 0.02647 -0.02209 -0.01509 41 GLU X O 2416 C CB . GLU B 62 ? 0.20608 0.23286 0.19256 0.00103 0.00851 -0.02062 41 GLU X CB 2417 C CG . GLU B 62 ? 0.19885 0.26867 0.23758 -0.01216 0.00667 -0.02966 41 GLU X CG 2418 C CD . GLU B 62 ? 0.23545 0.35107 0.27641 -0.00718 -0.00994 0.01600 41 GLU X CD 2419 O OE1 . GLU B 62 ? 0.24614 0.42775 0.29557 -0.00327 0.02122 0.01690 41 GLU X OE1 2420 O OE2 . GLU B 62 ? 0.27101 0.34499 0.31653 -0.01592 -0.01280 -0.00179 41 GLU X OE2 2427 N N . LEU B 63 ? 0.18614 0.19323 0.15881 0.03571 0.00883 -0.00569 42 LEU X N 2428 C CA . LEU B 63 ? 0.19462 0.21353 0.17736 0.02565 -0.02289 -0.00213 42 LEU X CA 2429 C C . LEU B 63 ? 0.19231 0.18210 0.16645 0.02824 -0.02077 -0.02890 42 LEU X C 2430 O O . LEU B 63 ? 0.20507 0.18549 0.17870 0.02314 -0.02358 -0.03933 42 LEU X O 2431 C CB . LEU B 63 ? 0.21608 0.23948 0.16407 0.03044 -0.01035 -0.03314 42 LEU X CB 2432 C CG . LEU B 63 ? 0.20732 0.20346 0.14154 0.01377 0.00075 -0.02704 42 LEU X CG 2433 C CD1 . LEU B 63 ? 0.20776 0.23716 0.16224 0.00251 0.01348 -0.00704 42 LEU X CD1 2434 C CD2 . LEU B 63 ? 0.21446 0.17798 0.15486 0.00764 0.00490 -0.01472 42 LEU X CD2 2446 N N . GLY B 64 ? 0.19607 0.25966 0.18722 0.04606 -0.04077 -0.02870 43 GLY X N 2447 C CA . GLY B 64 ? 0.22127 0.29345 0.20730 0.06371 -0.07609 -0.04922 43 GLY X CA 2448 C C . GLY B 64 ? 0.22608 0.27800 0.19355 0.05421 -0.07657 -0.05800 43 GLY X C 2449 O O . GLY B 64 ? 0.24047 0.25002 0.19579 0.05271 -0.06191 -0.03450 43 GLY X O 2453 N N . CYS B 65 ? 0.21364 0.31627 0.23962 0.05114 -0.09907 -0.03861 44 CYS X N 2454 C CA . CYS B 65 ? 0.23987 0.37897 0.23116 0.07509 -0.09623 -0.03483 44 CYS X CA 2455 C C . CYS B 65 ? 0.25226 0.38811 0.22230 0.07525 -0.07659 -0.02641 44 CYS X C 2456 O O . CYS B 65 ? 0.26554 0.38320 0.23720 0.06528 -0.05932 -0.00989 44 CYS X O 2457 C CB . CYS B 65 ? 0.22516 0.42635 0.24630 0.06686 -0.08373 -0.06287 44 CYS X CB 2458 S SG . CYS B 65 ? 0.28928 0.44691 0.27886 0.05158 -0.07647 -0.08032 44 CYS X SG 2463 N N . ALA B 66 ? 0.26318 0.42160 0.22971 0.08741 -0.07510 -0.05649 45 ALA X N 2464 C CA . ALA B 66 ? 0.25406 0.42686 0.25058 0.12670 -0.08924 -0.05922 45 ALA X CA 2465 C C . ALA B 66 ? 0.25872 0.44339 0.28266 0.13930 -0.07252 -0.06538 45 ALA X C 2466 O O . ALA B 66 ? 0.28898 0.46363 0.30584 0.10115 -0.08856 -0.06367 45 ALA X O 2467 C CB . ALA B 66 ? 0.28448 0.42006 0.28738 0.11800 -0.06636 -0.05592 45 ALA X CB 2473 N N . ALA B 67 ? 0.27849 0.45723 0.28384 0.15772 -0.06985 -0.05801 46 ALA X N 2474 C CA . ALA B 67 ? 0.29767 0.50407 0.30357 0.17345 -0.09328 -0.08132 46 ALA X CA 2475 C C . ALA B 67 ? 0.34697 0.53765 0.32296 0.17755 -0.10528 -0.08323 46 ALA X C 2476 O O . ALA B 67 ? 0.41174 0.53668 0.36026 0.16618 -0.09465 -0.08722 46 ALA X O 2477 C CB . ALA B 67 ? 0.34748 0.52841 0.32449 0.16894 -0.11018 -0.09081 46 ALA X CB 2483 N N . THR B 68 ? 0.31477 0.55998 0.34036 0.18537 -0.08485 -0.08453 47 THR X N 2484 C CA . THR B 68 ? 0.31458 0.55681 0.33729 0.18178 -0.07673 -0.08942 47 THR X CA 2485 C C . THR B 68 ? 0.31164 0.52506 0.31608 0.14710 -0.07375 -0.09191 47 THR X C 2486 O O . THR B 68 ? 0.27249 0.50422 0.31720 0.11660 -0.07562 -0.10078 47 THR X O 2487 C CB . THR B 68 ? 0.33695 0.56801 0.37364 0.18424 -0.06986 -0.06053 47 THR X CB 2488 O OG1 . THR B 68 ? 0.36290 0.60270 0.40033 0.16207 -0.05554 -0.08070 47 THR X OG1 2489 C CG2 . THR B 68 ? 0.34326 0.55312 0.39066 0.19157 -0.08462 -0.03236 47 THR X CG2 2497 N N . CYS B 69 ? 0.34597 0.51512 0.30881 0.14634 -0.06974 -0.05528 48 CYS X N 2498 C CA . CYS B 69 ? 0.35026 0.50233 0.31539 0.12823 -0.08423 -0.02881 48 CYS X CA 2499 C C . CYS B 69 ? 0.31327 0.50928 0.30278 0.13341 -0.07739 -0.04237 48 CYS X C 2500 O O . CYS B 69 ? 0.31068 0.52400 0.30979 0.15199 -0.05242 -0.04617 48 CYS X O 2501 C CB . CYS B 69 ? 0.38023 0.47649 0.32920 0.11003 -0.08654 -0.01365 48 CYS X CB 2502 S SG . CYS B 69 ? 0.41441 0.45036 0.33616 0.07648 -0.07798 -0.00542 48 CYS X SG 2507 N N . PRO B 70 ? 0.28628 0.48482 0.28763 0.10861 -0.07462 -0.05874 49 PRO X N 2508 C CA . PRO B 70 ? 0.31344 0.50068 0.30498 0.11894 -0.05303 -0.05079 49 PRO X CA 2509 C C . PRO B 70 ? 0.35095 0.55753 0.33030 0.11460 -0.07008 -0.04839 49 PRO X C 2510 O O . PRO B 70 ? 0.34704 0.53872 0.29619 0.13020 -0.06931 -0.07740 49 PRO X O 2511 C CB . PRO B 70 ? 0.32750 0.49068 0.30562 0.12373 -0.04505 -0.04694 49 PRO X CB 2512 C CG . PRO B 70 ? 0.28925 0.48410 0.29699 0.09606 -0.05387 -0.05655 49 PRO X CG 2513 C CD . PRO B 70 ? 0.29383 0.49337 0.30975 0.10012 -0.07176 -0.06346 49 PRO X CD 2521 N N . SER B 71 ? 0.39318 0.62114 0.37159 0.11836 -0.06889 -0.02949 50 SER X N 2522 C CA . SER B 71 ? 0.43901 0.65808 0.42016 0.13442 -0.07260 -0.02265 50 SER X CA 2523 C C . SER B 71 ? 0.40681 0.61288 0.40083 0.15259 -0.08904 -0.00527 50 SER X C 2524 O O . SER B 71 ? 0.40909 0.60073 0.41161 0.13406 -0.09211 0.00330 50 SER X O 2525 C CB . SER B 71 ? 0.48474 0.70819 0.49530 0.11762 -0.05112 -0.02956 50 SER X CB 2526 O OG . SER B 71 ? 0.53192 0.78517 0.57398 0.10025 -0.03618 -0.02938 50 SER X OG 2532 N N . LYS B 72 ? 0.39763 0.59865 0.36000 0.15914 -0.08659 0.00317 51 LYS X N 2533 C CA . LYS B 72 ? 0.40701 0.57657 0.32036 0.14342 -0.06171 0.00944 51 LYS X CA 2534 C C . LYS B 72 ? 0.34577 0.52457 0.27565 0.14846 -0.01864 -0.00558 51 LYS X C 2535 O O . LYS B 72 ? 0.37242 0.52082 0.26718 0.16697 -0.00924 0.00094 51 LYS X O 2536 C CB . LYS B 72 ? 0.51848 0.62478 0.37312 0.10964 -0.05704 0.01266 51 LYS X CB 2537 C CG . LYS B 72 ? 0.62430 0.67199 0.45508 0.09613 -0.03966 0.00187 51 LYS X CG 2538 C CD . LYS B 72 ? 0.74534 0.74555 0.55131 0.09498 -0.02740 -0.01404 51 LYS X CD 2539 C CE . LYS B 72 ? 0.88999 0.82884 0.62391 0.10103 -0.02097 -0.02763 51 LYS X CE 2540 N NZ . LYS B 72 ? 1.03862 0.92996 0.73713 0.10883 -0.01731 -0.03319 51 LYS X NZ 2554 N N . LYS B 73 ? 0.28897 0.48273 0.24765 0.10137 -0.00713 -0.02050 52 LYS X N 2555 C CA . LYS B 73 ? 0.25380 0.44446 0.23695 0.07376 -0.00219 -0.02449 52 LYS X CA 2556 C C . LYS B 73 ? 0.24088 0.41271 0.22096 0.05136 -0.00065 -0.02628 52 LYS X C 2557 O O . LYS B 73 ? 0.25105 0.40734 0.20022 0.07719 0.00351 -0.01758 52 LYS X O 2558 C CB . LYS B 73 ? 0.27305 0.44137 0.25370 0.04170 -0.00209 -0.05084 52 LYS X CB 2559 C CG . LYS B 73 ? 0.29866 0.47797 0.32512 0.02872 -0.01592 -0.06390 52 LYS X CG 2560 C CD . LYS B 73 ? 0.28799 0.51478 0.38769 0.04126 -0.01223 -0.05465 52 LYS X CD 2561 C CE . LYS B 73 ? 0.31420 0.55811 0.44698 0.03306 -0.02985 -0.03870 52 LYS X CE 2562 N NZ . LYS B 73 ? 0.38888 0.62138 0.49652 0.00301 -0.03328 -0.02843 52 LYS X NZ 2576 N N . PRO B 74 ? 0.24944 0.40326 0.19831 0.05357 0.02711 -0.04208 53 PRO X N 2577 C CA . PRO B 74 ? 0.25075 0.35654 0.19429 0.05371 0.01913 -0.04510 53 PRO X CA 2578 C C . PRO B 74 ? 0.24933 0.32252 0.20205 0.05979 0.01866 -0.00301 53 PRO X C 2579 O O . PRO B 74 ? 0.27084 0.29577 0.18474 0.05904 0.01204 0.00287 53 PRO X O 2580 C CB . PRO B 74 ? 0.25028 0.39435 0.21791 0.02262 0.04166 -0.04107 53 PRO X CB 2581 C CG . PRO B 74 ? 0.24525 0.41284 0.19604 0.01535 0.03702 -0.04491 53 PRO X CG 2582 C CD . PRO B 74 ? 0.26143 0.41833 0.20731 0.01587 0.03019 -0.06787 53 PRO X CD 2590 N N . TYR B 75 ? 0.25639 0.31725 0.18738 0.03346 0.01331 0.01089 54 TYR X N 2591 C CA . TYR B 75 ? 0.24505 0.32204 0.18250 0.05064 0.03405 0.04365 54 TYR X CA 2592 C C . TYR B 75 ? 0.24097 0.36935 0.19193 0.10167 0.04276 0.04820 54 TYR X C 2593 O O . TYR B 75 ? 0.27286 0.46094 0.22535 0.11546 0.04511 0.03545 54 TYR X O 2594 C CB . TYR B 75 ? 0.24949 0.30067 0.17222 0.03990 0.02519 0.04861 54 TYR X CB 2595 C CG . TYR B 75 ? 0.27779 0.30004 0.17780 -0.00294 -0.00646 0.04229 54 TYR X CG 2596 C CD1 . TYR B 75 ? 0.28879 0.31330 0.19810 -0.05013 -0.01178 0.01271 54 TYR X CD1 2597 C CD2 . TYR B 75 ? 0.31102 0.31935 0.17960 0.00063 -0.01090 0.03803 54 TYR X CD2 2598 C CE1 . TYR B 75 ? 0.31005 0.32914 0.16916 -0.07819 0.00077 0.00535 54 TYR X CE1 2599 C CE2 . TYR B 75 ? 0.33049 0.33213 0.17002 -0.01536 -0.00054 0.01848 54 TYR X CE2 2600 C CZ . TYR B 75 ? 0.33343 0.32909 0.16348 -0.04601 -0.01039 0.00492 54 TYR X CZ 2601 O OH . TYR B 75 ? 0.40263 0.37639 0.20892 -0.03449 -0.02271 0.01935 54 TYR X OH 2611 N N . GLU B 76 ? 0.26409 0.33052 0.17498 0.07461 0.02953 0.03567 55 GLU X N 2612 C CA . GLU B 76 ? 0.29290 0.29335 0.17949 0.06650 0.02984 0.01767 55 GLU X CA 2613 C C . GLU B 76 ? 0.31014 0.28871 0.19855 0.12308 0.06565 -0.00303 55 GLU X C 2614 O O . GLU B 76 ? 0.34138 0.33275 0.24423 0.11737 0.08058 0.01572 55 GLU X O 2615 C CB . GLU B 76 ? 0.30076 0.31178 0.20105 0.04693 0.01119 -0.01238 55 GLU X CB 2616 C CG . GLU B 76 ? 0.28919 0.38139 0.20856 0.05093 0.01221 -0.03492 55 GLU X CG 2617 C CD . GLU B 76 ? 0.29823 0.42516 0.24093 0.04004 -0.00016 -0.04950 55 GLU X CD 2618 O OE1 . GLU B 76 ? 0.34333 0.46068 0.24226 0.03353 -0.00846 -0.03707 55 GLU X OE1 2619 O OE2 . GLU B 76 ? 0.31871 0.42470 0.28634 0.05038 -0.02559 -0.09117 55 GLU X OE2 2626 N N . GLU B 77 ? 0.34590 0.23849 0.18740 0.09292 0.05121 -0.01261 56 GLU X N 2627 C CA . GLU B 77 ? 0.36307 0.27799 0.20978 0.09437 0.00194 -0.01445 56 GLU X CA 2628 C C . GLU B 77 ? 0.27678 0.26146 0.20761 0.07273 0.02682 -0.01534 56 GLU X C 2629 O O . GLU B 77 ? 0.29901 0.26180 0.19816 0.07997 -0.00010 -0.02310 56 GLU X O 2630 C CB . GLU B 77 ? 0.47455 0.39449 0.28972 0.03998 -0.04468 -0.05894 56 GLU X CB 2631 C CG . GLU B 77 ? 0.60719 0.52322 0.44724 0.00012 -0.03883 -0.06674 56 GLU X CG 2632 C CD . GLU B 77 ? 0.79017 0.69766 0.61104 -0.01142 -0.02378 -0.07052 56 GLU X CD 2633 O OE1 . GLU B 77 ? 0.84419 0.73950 0.66590 -0.00676 -0.02670 -0.04170 56 GLU X OE1 2634 O OE2 . GLU B 77 ? 0.78834 0.71934 0.62362 -0.01860 -0.00464 -0.10462 56 GLU X OE2 2641 N N . VAL B 78 ? 0.26327 0.25561 0.19595 0.05740 0.03858 0.00787 57 VAL X N 2642 C CA . VAL B 78 ? 0.25795 0.25100 0.20399 0.04702 0.01001 0.00034 57 VAL X CA 2643 C C . VAL B 78 ? 0.28887 0.23138 0.21182 0.08078 0.02647 -0.01634 57 VAL X C 2644 O O . VAL B 78 ? 0.34819 0.24267 0.22517 0.10436 0.00526 -0.01051 57 VAL X O 2645 C CB . VAL B 78 ? 0.28079 0.28415 0.24328 0.06324 -0.00706 0.02502 57 VAL X CB 2646 C CG1 . VAL B 78 ? 0.28548 0.32526 0.25442 0.06647 -0.03755 0.01979 57 VAL X CG1 2647 C CG2 . VAL B 78 ? 0.32453 0.30349 0.28189 0.05542 -0.00553 0.03080 57 VAL X CG2 2657 N N . THR B 79 ? 0.27836 0.23354 0.19226 0.06479 0.00364 -0.01729 58 THR X N 2658 C CA . THR B 79 ? 0.31272 0.27354 0.20057 0.04228 -0.00918 -0.01122 58 THR X CA 2659 C C . THR B 79 ? 0.35018 0.26090 0.19296 0.06806 -0.04359 -0.01002 58 THR X C 2660 O O . THR B 79 ? 0.40488 0.24818 0.18740 0.07412 -0.04684 -0.00522 58 THR X O 2661 C CB . THR B 79 ? 0.36626 0.32168 0.22210 0.03196 0.02258 -0.01752 58 THR X CB 2662 O OG1 . THR B 79 ? 0.37631 0.33434 0.25805 0.04916 0.03978 -0.00420 58 THR X OG1 2663 C CG2 . THR B 79 ? 0.39399 0.36837 0.22505 0.00010 0.02393 -0.04893 58 THR X CG2 2671 N N . CYS B 80 ? 0.35750 0.27603 0.18738 0.07491 -0.04538 -0.00495 59 CYS X N 2672 C CA . CYS B 80 ? 0.37978 0.29345 0.20695 0.06400 -0.01500 -0.03346 59 CYS X CA 2673 C C . CYS B 80 ? 0.41195 0.28591 0.21824 0.06130 -0.05734 -0.03889 59 CYS X C 2674 O O . CYS B 80 ? 0.42985 0.29304 0.22834 0.03296 -0.03768 -0.04256 59 CYS X O 2675 C CB . CYS B 80 ? 0.36914 0.33691 0.24461 0.07103 0.00259 -0.01466 59 CYS X CB 2676 S SG . CYS B 80 ? 0.34810 0.35332 0.31996 0.09041 -0.01088 -0.01476 59 CYS X SG 2681 N N . CYS B 81 ? 0.39572 0.27995 0.21288 0.06722 -0.06027 -0.02326 60 CYS X N 2682 C CA . CYS B 81 ? 0.37211 0.30489 0.21112 0.07936 -0.05932 -0.00020 60 CYS X CA 2683 C C . CYS B 81 ? 0.37815 0.32309 0.21562 0.09448 -0.03661 -0.00104 60 CYS X C 2684 O O . CYS B 81 ? 0.35932 0.33902 0.20339 0.07762 -0.05679 0.01753 60 CYS X O 2685 C CB . CYS B 81 ? 0.36090 0.32120 0.24123 0.06437 -0.03801 -0.01081 60 CYS X CB 2686 S SG . CYS B 81 ? 0.37398 0.33594 0.21921 0.04590 -0.04664 -0.00602 60 CYS X SG 2691 N N . SER B 82 ? 0.41549 0.33404 0.23787 0.09686 -0.04778 0.01721 61 SER X N 2692 C CA . SER B 82 ? 0.42643 0.36242 0.24634 0.12340 -0.08516 0.03805 61 SER X CA 2693 C C . SER B 82 ? 0.42147 0.37871 0.21925 0.13023 -0.06416 0.02014 61 SER X C 2694 O O . SER B 82 ? 0.40917 0.41420 0.22061 0.15533 -0.04842 0.02925 61 SER X O 2695 C CB . SER B 82 ? 0.49409 0.38962 0.30831 0.12378 -0.09060 0.06437 61 SER X CB 2696 O OG . SER B 82 ? 0.54370 0.41826 0.35459 0.10913 -0.07366 0.05686 61 SER X OG 2702 N N . THR B 83 ? 0.43835 0.35198 0.18253 0.11534 -0.05644 0.00484 62 THR X N 2703 C CA . THR B 83 ? 0.44826 0.35213 0.20061 0.10906 -0.04181 0.00877 62 THR X CA 2704 C C . THR B 83 ? 0.41822 0.32551 0.20756 0.09135 -0.04014 -0.00361 62 THR X C 2705 O O . THR B 83 ? 0.40330 0.31471 0.20377 0.08457 -0.03629 -0.00683 62 THR X O 2706 C CB . THR B 83 ? 0.46809 0.33893 0.24424 0.11576 -0.04298 0.05101 62 THR X CB 2707 O OG1 . THR B 83 ? 0.44485 0.36834 0.25785 0.08560 -0.01774 0.06705 62 THR X OG1 2708 C CG2 . THR B 83 ? 0.49967 0.35078 0.28530 0.12991 -0.05478 0.04779 62 THR X CG2 2716 N N . ASP B 84 ? 0.41456 0.33837 0.20165 0.07247 -0.02382 -0.01226 63 ASP X N 2717 C CA . ASP B 84 ? 0.41646 0.35435 0.18131 0.07497 -0.02785 -0.00509 63 ASP X CA 2718 C C . ASP B 84 ? 0.41293 0.34176 0.19101 0.07872 -0.02849 -0.02580 63 ASP X C 2719 O O . ASP B 84 ? 0.44106 0.33616 0.21794 0.11632 -0.02421 -0.01381 63 ASP X O 2720 C CB . ASP B 84 ? 0.45619 0.38330 0.15258 0.05944 -0.03572 0.01974 63 ASP X CB 2721 C CG . ASP B 84 ? 0.50179 0.43143 0.17930 0.06399 -0.02991 0.04829 63 ASP X CG 2722 O OD1 . ASP B 84 ? 0.50754 0.42089 0.18096 0.11015 -0.02135 0.03472 63 ASP X OD1 2723 O OD2 . ASP B 84 ? 0.53516 0.48416 0.21757 0.01221 -0.01757 0.04184 63 ASP X OD2 2728 N N . LYS B 85 ? 0.38612 0.33074 0.19583 0.08075 -0.05304 -0.03300 64 LYS X N 2729 C CA . LYS B 85 ? 0.40401 0.33537 0.21960 0.06339 -0.03799 -0.00830 64 LYS X CA 2730 C C . LYS B 85 ? 0.37723 0.27303 0.19554 0.05234 -0.01783 -0.01184 64 LYS X C 2731 O O . LYS B 85 ? 0.39166 0.25830 0.19854 0.04620 -0.02003 -0.00138 64 LYS X O 2732 C CB . LYS B 85 ? 0.46008 0.42187 0.29988 0.06053 -0.03290 -0.02207 64 LYS X CB 2733 C CG . LYS B 85 ? 0.58655 0.57850 0.42384 0.04792 -0.02693 -0.04656 64 LYS X CG 2734 C CD . LYS B 85 ? 0.75290 0.73827 0.51633 0.04156 0.00183 -0.06442 64 LYS X CD 2735 C CE . LYS B 85 ? 0.87259 0.85132 0.62835 0.03333 0.01812 -0.05051 64 LYS X CE 2736 N NZ . LYS B 85 ? 0.87393 0.90473 0.65075 0.03884 0.02776 -0.03975 64 LYS X NZ 2750 N N . CYS B 86 ? 0.36181 0.26405 0.18674 0.03492 -0.02242 -0.01787 65 CYS X N 2751 C CA . CYS B 86 ? 0.32650 0.24205 0.19253 0.03502 -0.01160 -0.01936 65 CYS X CA 2752 C C . CYS B 86 ? 0.28448 0.22856 0.17849 0.02939 -0.01689 -0.00958 65 CYS X C 2753 O O . CYS B 86 ? 0.31632 0.24782 0.18436 0.00317 -0.01841 -0.01992 65 CYS X O 2754 C CB . CYS B 86 ? 0.33265 0.27305 0.19362 0.05517 -0.03617 -0.01457 65 CYS X CB 2755 S SG . CYS B 86 ? 0.35911 0.29892 0.20987 0.07612 -0.03798 -0.01254 65 CYS X SG 2760 N N . ASN B 87 ? 0.25548 0.24664 0.16464 0.01540 0.00160 0.00777 66 ASN X N 2761 C CA . ASN B 87 ? 0.24144 0.23613 0.15564 0.03573 -0.01731 0.00828 66 ASN X CA 2762 C C . ASN B 87 ? 0.23839 0.22228 0.14656 0.00164 -0.00165 -0.00093 66 ASN X C 2763 O O . ASN B 87 ? 0.24699 0.23365 0.15613 -0.00934 0.00090 -0.00398 66 ASN X O 2764 C CB . ASN B 87 ? 0.25753 0.23755 0.17872 0.05463 -0.00138 -0.00619 66 ASN X CB 2765 C CG . ASN B 87 ? 0.24896 0.26042 0.17152 0.02510 0.02998 -0.01057 66 ASN X CG 2766 O OD1 . ASN B 87 ? 0.24239 0.28257 0.16922 0.04417 0.00341 -0.02261 66 ASN X OD1 2767 N ND2 . ASN B 87 ? 0.25713 0.26296 0.15983 0.02390 0.00272 -0.00363 66 ASN X ND2 2774 N N . PRO B 88 ? 0.24771 0.25759 0.16220 0.00273 -0.02617 0.02529 67 PRO X N 2775 C CA . PRO B 88 ? 0.23473 0.24879 0.17744 -0.01066 -0.02858 0.01986 67 PRO X CA 2776 C C . PRO B 88 ? 0.22351 0.24641 0.16015 0.00902 -0.01920 -0.00803 67 PRO X C 2777 O O . PRO B 88 ? 0.25009 0.26290 0.15955 0.01843 -0.00755 -0.01069 67 PRO X O 2778 C CB . PRO B 88 ? 0.25951 0.27379 0.21622 0.00558 -0.01974 0.02355 67 PRO X CB 2779 C CG . PRO B 88 ? 0.27122 0.30344 0.21180 0.00692 -0.02179 0.01800 67 PRO X CG 2780 C CD . PRO B 88 ? 0.26110 0.29461 0.17061 0.00021 -0.02548 0.03077 67 PRO X CD 2788 N N . HIS B 89 ? 0.22840 0.24925 0.17172 0.03189 -0.04606 0.00154 68 HIS X N 2789 C CA . HIS B 89 ? 0.20871 0.21986 0.19081 0.02401 -0.02193 0.01106 68 HIS X CA 2790 C C . HIS B 89 ? 0.21297 0.23618 0.19935 0.00452 -0.01580 -0.02285 68 HIS X C 2791 O O . HIS B 89 ? 0.24287 0.24742 0.22202 -0.01486 0.01013 -0.01955 68 HIS X O 2792 C CB . HIS B 89 ? 0.20634 0.23062 0.19433 -0.00877 -0.02756 0.00619 68 HIS X CB 2793 C CG . HIS B 89 ? 0.23134 0.24607 0.19208 0.03154 -0.04065 0.00873 68 HIS X CG 2794 N ND1 . HIS B 89 ? 0.23513 0.27828 0.21265 0.05663 -0.04875 -0.00987 68 HIS X ND1 2795 C CD2 . HIS B 89 ? 0.24914 0.24471 0.18689 0.00791 -0.03611 -0.02134 68 HIS X CD2 2796 C CE1 . HIS B 89 ? 0.26145 0.26220 0.19675 0.04613 -0.06635 -0.04115 68 HIS X CE1 2797 N NE2 . HIS B 89 ? 0.27661 0.25710 0.19116 0.04055 -0.04502 -0.03091 68 HIS X NE2 2805 N N . PRO B 90 ? 0.22454 0.25245 0.18631 0.00804 -0.01799 -0.05065 69 PRO X N 2806 C CA . PRO B 90 ? 0.24561 0.29133 0.20831 -0.00434 -0.01210 -0.05360 69 PRO X CA 2807 C C . PRO B 90 ? 0.21882 0.31441 0.23321 -0.03323 0.01573 -0.04983 69 PRO X C 2808 O O . PRO B 90 ? 0.23384 0.34201 0.28871 -0.05478 0.00451 -0.03902 69 PRO X O 2809 C CB . PRO B 90 ? 0.25657 0.33235 0.23033 0.01320 -0.00887 -0.06451 69 PRO X CB 2810 C CG . PRO B 90 ? 0.26955 0.33195 0.21725 0.01075 -0.03432 -0.06196 69 PRO X CG 2811 C CD . PRO B 90 ? 0.24230 0.28194 0.18703 0.00658 -0.03908 -0.06313 69 PRO X CD 2819 N N . LYS B 91 ? 0.21676 0.33317 0.21613 0.00088 0.01023 -0.05928 70 LYS X N 2820 C CA . LYS B 91 ? 0.22413 0.36830 0.27023 0.01480 0.01512 -0.06185 70 LYS X CA 2821 C C . LYS B 91 ? 0.26372 0.38145 0.26090 0.01090 0.04833 -0.05476 70 LYS X C 2822 O O . LYS B 91 ? 0.28698 0.38179 0.28641 0.03033 0.03802 -0.03419 70 LYS X O 2823 C CB . LYS B 91 ? 0.26279 0.40170 0.35188 0.03656 0.00446 -0.04906 70 LYS X CB 2824 C CG . LYS B 91 ? 0.28448 0.44165 0.40394 0.02734 -0.03666 -0.05913 70 LYS X CG 2825 C CD . LYS B 91 ? 0.38309 0.52793 0.48549 -0.01344 -0.06176 -0.04788 70 LYS X CD 2826 C CE . LYS B 91 ? 0.51466 0.60887 0.57823 -0.02205 -0.03767 -0.03656 70 LYS X CE 2827 N NZ . LYS B 91 ? 0.51115 0.59350 0.61282 -0.02459 -0.03423 -0.03241 70 LYS X NZ 2841 N N . GLN B 92 ? 0.28291 0.37016 0.23624 -0.02422 0.02780 -0.08234 71 GLN X N 2842 C CA . GLN B 92 ? 0.27760 0.35657 0.26240 -0.05939 0.04125 -0.07917 71 GLN X CA 2843 C C . GLN B 92 ? 0.35708 0.39127 0.30393 -0.03819 0.03400 -0.06810 71 GLN X C 2844 O O . GLN B 92 ? 0.42170 0.39019 0.30379 -0.01014 0.05182 -0.05864 71 GLN X O 2845 C CB . GLN B 92 ? 0.26809 0.31405 0.27916 -0.06017 0.02355 -0.08653 71 GLN X CB 2846 C CG . GLN B 92 ? 0.26001 0.30919 0.30709 -0.01038 0.00154 -0.11103 71 GLN X CG 2847 C CD . GLN B 92 ? 0.22201 0.30641 0.32125 0.02758 0.00437 -0.12216 71 GLN X CD 2848 O OE1 . GLN B 92 ? 0.23841 0.35768 0.27526 -0.00238 -0.00637 -0.09986 71 GLN X OE1 2849 N NE2 . GLN B 92 ? 0.25828 0.30762 0.36795 0.03498 0.00265 -0.12730 71 GLN X NE2 2858 N N . ARG B 93 ? 0.41012 0.41978 0.36679 -0.01687 0.00853 -0.07242 72 ARG X N 2859 C CA . ARG B 93 ? 0.48713 0.47339 0.42016 0.00067 0.03239 -0.04793 72 ARG X CA 2860 C C . ARG B 93 ? 0.57607 0.55816 0.52254 -0.02248 0.04021 -0.02854 72 ARG X C 2861 O O . ARG B 93 ? 0.56876 0.55904 0.51532 -0.04347 0.03613 -0.01972 72 ARG X O 2862 C CB . ARG B 93 ? 0.46105 0.42827 0.39420 0.02343 0.04124 -0.03768 72 ARG X CB 2863 C CG . ARG B 93 ? 0.43013 0.40662 0.35824 0.01102 0.01408 -0.04602 72 ARG X CG 2864 C CD . ARG B 93 ? 0.40298 0.38793 0.33671 -0.01159 -0.02018 -0.05791 72 ARG X CD 2865 N NE . ARG B 93 ? 0.39475 0.37544 0.32604 -0.00091 -0.04350 -0.02900 72 ARG X NE 2866 C CZ . ARG B 93 ? 0.39505 0.36002 0.33321 0.00360 -0.02924 -0.04630 72 ARG X CZ 2867 N NH1 . ARG B 93 ? 0.39222 0.36802 0.35556 0.00837 0.00647 -0.04758 72 ARG X NH1 2868 N NH2 . ARG B 93 ? 0.40925 0.36234 0.34069 0.02633 -0.02599 -0.04207 72 ARG X NH2 2882 N N . PRO B 94 ? 0.69846 0.65800 0.61261 -0.03378 0.05588 -0.02780 73 PRO X N 2883 C CA . PRO B 94 ? 0.76683 0.72008 0.68852 -0.03875 0.04569 -0.02596 73 PRO X CA 2884 C C . PRO B 94 ? 0.78259 0.71780 0.68769 -0.04168 0.02526 -0.02936 73 PRO X C 2885 O O . PRO B 94 ? 0.76273 0.69044 0.71097 -0.03457 0.01882 -0.02442 73 PRO X O 2886 C CB . PRO B 94 ? 0.71489 0.67362 0.65867 -0.04750 0.05746 -0.02278 73 PRO X CB 2887 C CG . PRO B 94 ? 0.72531 0.67984 0.66879 -0.04374 0.06594 -0.03194 73 PRO X CG 2888 C CD . PRO B 94 ? 0.73648 0.67640 0.64050 -0.04325 0.06342 -0.03576 73 PRO X CD 2896 N N . ILE C 22 ? 0.27392 0.32334 0.25008 -0.03281 -0.09902 0.03871 1 ILE Z N 2897 C CA . ILE C 22 ? 0.21224 0.30567 0.21322 -0.03939 -0.05191 0.03791 1 ILE Z CA 2898 C C . ILE C 22 ? 0.19738 0.28500 0.18880 -0.04050 -0.02743 0.03357 1 ILE Z C 2899 O O . ILE C 22 ? 0.21747 0.28767 0.20752 -0.04968 -0.04904 0.02506 1 ILE Z O 2900 C CB . ILE C 22 ? 0.24045 0.31179 0.19556 -0.05216 -0.04069 0.03191 1 ILE Z CB 2901 C CG1 . ILE C 22 ? 0.23704 0.30542 0.16093 -0.09317 -0.02826 0.02360 1 ILE Z CG1 2902 C CG2 . ILE C 22 ? 0.25597 0.33252 0.24943 -0.01806 -0.04054 0.01611 1 ILE Z CG2 2903 C CD1 . ILE C 22 ? 0.26928 0.31416 0.16562 -0.06576 -0.01183 0.00178 1 ILE Z CD1 2915 N N . VAL C 23 ? 0.20264 0.27980 0.16993 -0.04160 -0.02658 0.01834 2 VAL Z N 2916 C CA . VAL C 23 ? 0.19345 0.27330 0.15954 -0.04113 -0.03692 0.02656 2 VAL Z CA 2917 C C . VAL C 23 ? 0.19835 0.25925 0.14152 -0.02575 -0.03080 0.03486 2 VAL Z C 2918 O O . VAL C 23 ? 0.24267 0.28119 0.14923 -0.01633 -0.03986 0.02314 2 VAL Z O 2919 C CB . VAL C 23 ? 0.23961 0.30988 0.16613 -0.03380 -0.01229 0.03671 2 VAL Z CB 2920 C CG1 . VAL C 23 ? 0.20776 0.29511 0.18476 -0.03438 0.00767 0.00969 2 VAL Z CG1 2921 C CG2 . VAL C 23 ? 0.28104 0.35130 0.16541 -0.01595 -0.01773 0.06545 2 VAL Z CG2 2931 N N . CYS C 24 ? 0.21016 0.24600 0.14336 -0.00830 -0.01627 0.02808 3 CYS Z N 2932 C CA . CYS C 24 ? 0.18786 0.23357 0.16614 -0.03041 0.00150 0.02793 3 CYS Z CA 2933 C C . CYS C 24 ? 0.19488 0.22234 0.16007 -0.05818 0.01218 0.05223 3 CYS Z C 2934 O O . CYS C 24 ? 0.20115 0.25620 0.15984 -0.06597 -0.01763 0.03083 3 CYS Z O 2935 C CB . CYS C 24 ? 0.22131 0.20389 0.17836 -0.01393 -0.01224 0.02060 3 CYS Z CB 2936 S SG . CYS C 24 ? 0.20968 0.27477 0.19440 -0.03995 -0.02370 0.03526 3 CYS Z SG 2941 N N . HIS C 25 ? 0.17552 0.21438 0.14619 -0.04629 -0.01860 0.04363 4 HIS Z N 2942 C CA . HIS C 25 ? 0.17797 0.22006 0.14125 -0.01732 -0.01258 0.01883 4 HIS Z CA 2943 C C . HIS C 25 ? 0.16761 0.24298 0.13746 -0.02160 -0.01065 0.03313 4 HIS Z C 2944 O O . HIS C 25 ? 0.17068 0.26026 0.15937 -0.03031 -0.00589 0.02435 4 HIS Z O 2945 C CB . HIS C 25 ? 0.16961 0.20606 0.15080 -0.02281 -0.02800 0.01247 4 HIS Z CB 2946 C CG . HIS C 25 ? 0.18408 0.20610 0.13316 -0.03675 -0.00323 0.01584 4 HIS Z CG 2947 N ND1 . HIS C 25 ? 0.19164 0.24070 0.16299 0.00610 0.00447 0.02049 4 HIS Z ND1 2948 C CD2 . HIS C 25 ? 0.20660 0.23857 0.14211 -0.03118 -0.00558 0.01897 4 HIS Z CD2 2949 C CE1 . HIS C 25 ? 0.20063 0.18855 0.17563 -0.02460 0.01987 0.02146 4 HIS Z CE1 2950 N NE2 . HIS C 25 ? 0.20080 0.21285 0.16321 -0.03383 0.00504 0.02412 4 HIS Z NE2 2958 N N . THR C 26 ? 0.17674 0.24646 0.16177 -0.00860 -0.01023 0.03309 5 THR Z N 2959 C CA . THR C 26 ? 0.19167 0.22728 0.16720 0.00604 -0.00546 0.02557 5 THR Z CA 2960 C C . THR C 26 ? 0.19729 0.23080 0.17180 -0.01225 0.00860 0.01512 5 THR Z C 2961 O O . THR C 26 ? 0.19267 0.26402 0.18494 0.01304 0.00322 -0.00207 5 THR Z O 2962 C CB . THR C 26 ? 0.22901 0.23653 0.21178 0.01301 0.00965 0.03827 5 THR Z CB 2963 O OG1 . THR C 26 ? 0.22100 0.26896 0.19848 0.01173 0.02239 0.02408 5 THR Z OG1 2964 C CG2 . THR C 26 ? 0.28561 0.25005 0.22940 -0.00151 -0.00101 0.06472 5 THR Z CG2 2972 N N . THR C 27 ? 0.19527 0.20190 0.17564 -0.02174 0.01750 0.02106 6 THR Z N 2973 C CA . THR C 27 ? 0.20556 0.19302 0.19067 -0.02324 0.00490 0.01674 6 THR Z CA 2974 C C . THR C 27 ? 0.23232 0.21498 0.17922 -0.02834 0.02561 0.00445 6 THR Z C 2975 O O . THR C 27 ? 0.23866 0.28043 0.22214 -0.01984 0.02655 0.00813 6 THR Z O 2976 C CB . THR C 27 ? 0.19635 0.19044 0.17187 -0.03400 -0.00088 0.01121 6 THR Z CB 2977 O OG1 . THR C 27 ? 0.19716 0.22069 0.17453 -0.02102 0.00911 0.00399 6 THR Z OG1 2978 C CG2 . THR C 27 ? 0.20456 0.21473 0.16805 -0.01314 0.00992 0.02693 6 THR Z CG2 2986 N N . ALA C 28 ? 0.23281 0.22842 0.21561 -0.00407 0.03857 0.01980 7 ALA Z N 2987 C CA . ALA C 28 ? 0.23410 0.25698 0.24401 0.02171 0.05236 0.01125 7 ALA Z CA 2988 C C . ALA C 28 ? 0.22725 0.27317 0.22848 0.01516 0.03395 0.02318 7 ALA Z C 2989 O O . ALA C 28 ? 0.27497 0.32466 0.29186 0.00264 0.04369 0.03296 7 ALA Z O 2990 C CB . ALA C 28 ? 0.23179 0.29068 0.31837 0.04167 0.03065 0.02934 7 ALA Z CB 2996 N N . THR C 29 ? 0.18400 0.23350 0.18070 0.01269 0.00904 0.04040 8 THR Z N 2997 C CA . THR C 29 ? 0.21385 0.25257 0.17426 -0.00675 0.01940 0.01907 8 THR Z CA 2998 C C . THR C 29 ? 0.21338 0.26762 0.17819 0.01355 0.01109 0.02251 8 THR Z C 2999 O O . THR C 29 ? 0.21621 0.26360 0.19042 -0.01330 -0.00544 0.03525 8 THR Z O 3000 C CB . THR C 29 ? 0.20967 0.26013 0.16275 -0.00205 0.00821 0.03011 8 THR Z CB 3001 O OG1 . THR C 29 ? 0.20497 0.24839 0.18228 -0.00966 0.00332 0.02107 8 THR Z OG1 3002 C CG2 . THR C 29 ? 0.20658 0.29636 0.17177 0.00287 0.01751 0.01601 8 THR Z CG2 3010 N N . SER C 30 ? 0.21971 0.25737 0.17082 0.00231 0.01892 0.01029 9 SER Z N 3011 C CA . SER C 30 ? 0.22458 0.28219 0.20841 -0.02702 0.01959 0.00510 9 SER Z CA 3012 C C . SER C 30 ? 0.18062 0.26582 0.19765 -0.01462 0.01349 0.02109 9 SER Z C 3013 O O . SER C 30 ? 0.21103 0.25896 0.21094 0.00566 -0.00047 0.02996 9 SER Z O 3014 C CB . SER C 30 ? 0.24276 0.31091 0.25670 -0.07844 0.03698 -0.02928 9 SER Z CB 3015 O OG . SER C 30 ? 0.32976 0.36259 0.31365 -0.09641 0.04960 -0.03966 9 SER Z OG 3021 N N . PRO C 31 ? 0.17986 0.28655 0.17573 -0.01234 0.01747 0.02827 10 PRO Z N 3022 C CA . PRO C 31 ? 0.19900 0.28129 0.16834 -0.03823 -0.00166 0.02857 10 PRO Z CA 3023 C C . PRO C 31 ? 0.19862 0.25999 0.16583 -0.02044 -0.02612 0.02125 10 PRO Z C 3024 O O . PRO C 31 ? 0.19662 0.26866 0.17255 -0.00068 -0.03288 0.03017 10 PRO Z O 3025 C CB . PRO C 31 ? 0.23858 0.28819 0.18918 -0.02905 0.00977 0.02439 10 PRO Z CB 3026 C CG . PRO C 31 ? 0.25152 0.27911 0.19881 0.02069 0.01186 0.00618 10 PRO Z CG 3027 C CD . PRO C 31 ? 0.21522 0.28576 0.19832 0.01346 0.02102 0.00745 10 PRO Z CD 3035 N N . ILE C 32 ? 0.18084 0.24332 0.18397 -0.00390 -0.01498 0.01435 11 ILE Z N 3036 C CA . ILE C 32 ? 0.20125 0.26273 0.19211 0.00280 -0.01166 0.00578 11 ILE Z CA 3037 C C . ILE C 32 ? 0.17509 0.25935 0.16838 0.00449 -0.00057 -0.00524 11 ILE Z C 3038 O O . ILE C 32 ? 0.19871 0.26486 0.17865 0.01279 0.00328 0.00831 11 ILE Z O 3039 C CB . ILE C 32 ? 0.19586 0.25533 0.18923 -0.02068 0.00365 0.01718 11 ILE Z CB 3040 C CG1 . ILE C 32 ? 0.21692 0.23706 0.19713 -0.04494 -0.01070 0.02939 11 ILE Z CG1 3041 C CG2 . ILE C 32 ? 0.19285 0.26547 0.19382 -0.03457 -0.01873 0.02227 11 ILE Z CG2 3042 C CD1 . ILE C 32 ? 0.25490 0.22747 0.20799 -0.04980 -0.03397 0.04009 11 ILE Z CD1 3054 N N . SER C 33 ? 0.16812 0.23103 0.16247 -0.03505 -0.01160 0.00852 12 SER Z N 3055 C CA . SER C 33 ? 0.17390 0.25540 0.17956 -0.00505 -0.02063 -0.00433 12 SER Z CA 3056 C C . SER C 33 ? 0.16215 0.24237 0.16387 -0.01501 0.01040 0.00569 12 SER Z C 3057 O O . SER C 33 ? 0.18278 0.26074 0.16855 -0.03460 0.01295 0.04047 12 SER Z O 3058 C CB . SER C 33 ? 0.18623 0.29862 0.18833 0.01243 -0.00594 0.01618 12 SER Z CB 3059 O OG . SER C 33 ? 0.21568 0.30774 0.17737 0.03083 -0.00797 0.04234 12 SER Z OG 3065 N N . ALA C 34 ? 0.20803 0.23105 0.16666 -0.02226 -0.02095 0.01593 13 ALA Z N 3066 C CA . ALA C 34 ? 0.21166 0.22488 0.18051 0.00192 -0.01262 0.01134 13 ALA Z CA 3067 C C . ALA C 34 ? 0.20327 0.19967 0.17061 -0.04723 -0.02205 0.02653 13 ALA Z C 3068 O O . ALA C 34 ? 0.19818 0.20236 0.18398 -0.02947 0.00261 0.05016 13 ALA Z O 3069 C CB . ALA C 34 ? 0.24072 0.22381 0.19468 0.02119 -0.01241 0.00366 13 ALA Z CB 3075 N N . VAL C 35 ? 0.17771 0.25280 0.17190 -0.05149 -0.03173 0.02326 14 VAL Z N 3076 C CA . VAL C 35 ? 0.16968 0.27413 0.18151 -0.03057 -0.02963 0.04237 14 VAL Z CA 3077 C C . VAL C 35 ? 0.18124 0.25000 0.19391 -0.00621 -0.03949 0.06946 14 VAL Z C 3078 O O . VAL C 35 ? 0.19987 0.23695 0.19749 -0.02432 -0.03153 0.06181 14 VAL Z O 3079 C CB . VAL C 35 ? 0.23735 0.28007 0.23210 0.01502 0.01734 0.01660 14 VAL Z CB 3080 C CG1 . VAL C 35 ? 0.24675 0.28319 0.25079 0.04452 0.03289 -0.01487 14 VAL Z CG1 3081 C CG2 . VAL C 35 ? 0.28891 0.30160 0.27060 0.02881 0.00712 0.02634 14 VAL Z CG2 3091 N N . THR C 36 ? 0.18735 0.29303 0.20798 -0.03863 -0.05479 0.06619 15 THR Z N 3092 C CA . THR C 36 ? 0.19478 0.32604 0.19808 -0.05295 -0.04921 0.05825 15 THR Z CA 3093 C C . THR C 36 ? 0.18623 0.30383 0.22770 -0.03434 -0.04315 0.05120 15 THR Z C 3094 O O . THR C 36 ? 0.21742 0.33311 0.25769 -0.01559 -0.02694 0.05798 15 THR Z O 3095 C CB . THR C 36 ? 0.20917 0.36960 0.19073 -0.03493 -0.06241 0.06080 15 THR Z CB 3096 O OG1 . THR C 36 ? 0.27010 0.40771 0.18934 -0.03054 -0.02123 0.05350 15 THR Z OG1 3097 C CG2 . THR C 36 ? 0.24036 0.39045 0.21156 -0.02484 -0.05259 0.03547 15 THR Z CG2 3105 N N . CYS C 37 ? 0.19122 0.29198 0.22759 -0.01494 -0.02610 0.04457 16 CYS Z N 3106 C CA . CYS C 37 ? 0.20350 0.32509 0.24766 -0.00091 -0.02686 0.05830 16 CYS Z CA 3107 C C . CYS C 37 ? 0.19822 0.38404 0.28586 -0.02690 -0.05258 0.08584 16 CYS Z C 3108 O O . CYS C 37 ? 0.22344 0.41245 0.27227 -0.04411 -0.08218 0.08055 16 CYS Z O 3109 C CB . CYS C 37 ? 0.20591 0.31682 0.22324 0.01426 -0.02135 0.04973 16 CYS Z CB 3110 S SG . CYS C 37 ? 0.24705 0.35665 0.22087 0.01328 -0.03930 0.02521 16 CYS Z SG 3115 N N . PRO C 38 ? 0.19882 0.42980 0.32526 -0.01696 -0.07229 0.11044 17 PRO Z N 3116 C CA . PRO C 38 ? 0.23487 0.47487 0.34956 -0.02280 -0.06657 0.11459 17 PRO Z CA 3117 C C . PRO C 38 ? 0.25260 0.48880 0.32892 -0.04274 -0.09969 0.13563 17 PRO Z C 3118 O O . PRO C 38 ? 0.24841 0.47684 0.31002 -0.05495 -0.10646 0.10755 17 PRO Z O 3119 C CB . PRO C 38 ? 0.29230 0.52079 0.38100 -0.00260 -0.06952 0.08023 17 PRO Z CB 3120 C CG . PRO C 38 ? 0.27995 0.48927 0.36899 0.00849 -0.06217 0.07805 17 PRO Z CG 3121 C CD . PRO C 38 ? 0.19298 0.45122 0.34994 0.00091 -0.03737 0.09702 17 PRO Z CD 3129 N N . PRO C 39 ? 0.25008 0.51261 0.33031 -0.07511 -0.11643 0.14599 18 PRO Z N 3130 C CA . PRO C 39 ? 0.29147 0.54365 0.35798 -0.05806 -0.12836 0.13617 18 PRO Z CA 3131 C C . PRO C 39 ? 0.26876 0.56105 0.37239 -0.05531 -0.10975 0.13046 18 PRO Z C 3132 O O . PRO C 39 ? 0.22567 0.58187 0.38617 -0.05575 -0.06367 0.14341 18 PRO Z O 3133 C CB . PRO C 39 ? 0.30159 0.54286 0.35717 -0.04133 -0.11580 0.14816 18 PRO Z CB 3134 C CG . PRO C 39 ? 0.27957 0.52437 0.34077 -0.06433 -0.11431 0.15699 18 PRO Z CG 3135 C CD . PRO C 39 ? 0.26852 0.51972 0.35052 -0.07482 -0.11483 0.14191 18 PRO Z CD 3143 N N . GLY C 40 ? 0.29150 0.57217 0.38024 -0.05327 -0.12719 0.11242 19 GLY Z N 3144 C CA . GLY C 40 ? 0.28452 0.56479 0.37016 -0.07285 -0.11296 0.10749 19 GLY Z CA 3145 C C . GLY C 40 ? 0.26256 0.54562 0.33593 -0.08169 -0.09285 0.13982 19 GLY Z C 3146 O O . GLY C 40 ? 0.28247 0.56628 0.36129 -0.07108 -0.08010 0.15979 19 GLY Z O 3150 N N . GLU C 41 ? 0.23333 0.50554 0.31363 -0.08847 -0.08229 0.12619 20 GLU Z N 3151 C CA . GLU C 41 ? 0.21052 0.46580 0.29637 -0.07103 -0.07346 0.11944 20 GLU Z CA 3152 C C . GLU C 41 ? 0.21105 0.43501 0.29001 -0.06543 -0.04695 0.09870 20 GLU Z C 3153 O O . GLU C 41 ? 0.23712 0.42982 0.30073 -0.05104 -0.01265 0.09238 20 GLU Z O 3154 C CB . GLU C 41 ? 0.22326 0.46460 0.30886 -0.05100 -0.08532 0.13100 20 GLU Z CB 3155 C CG . GLU C 41 ? 0.26121 0.50177 0.37396 -0.02120 -0.06652 0.10685 20 GLU Z CG 3156 C CD . GLU C 41 ? 0.27242 0.55155 0.42767 0.02218 -0.05269 0.06432 20 GLU Z CD 3157 O OE1 . GLU C 41 ? 0.28085 0.58008 0.45362 0.05602 -0.08609 0.05269 20 GLU Z OE1 3158 O OE2 . GLU C 41 ? 0.33224 0.60954 0.47550 0.00659 -0.01980 0.03478 20 GLU Z OE2 3165 N N . ASN C 42 ? 0.22364 0.42715 0.25469 -0.07664 -0.06554 0.09606 21 ASN Z N 3166 C CA . ASN C 42 ? 0.23492 0.42634 0.25131 -0.08299 -0.06459 0.07889 21 ASN Z CA 3167 C C . ASN C 42 ? 0.23339 0.38791 0.23959 -0.08842 -0.04985 0.05450 21 ASN Z C 3168 O O . ASN C 42 ? 0.26941 0.36960 0.24963 -0.07446 -0.03786 0.03397 21 ASN Z O 3169 C CB . ASN C 42 ? 0.25888 0.47064 0.26922 -0.11349 -0.07697 0.06655 21 ASN Z CB 3170 C CG . ASN C 42 ? 0.28987 0.50650 0.28208 -0.15576 -0.09038 0.08032 21 ASN Z CG 3171 O OD1 . ASN C 42 ? 0.33772 0.54491 0.28056 -0.16762 -0.10501 0.11820 21 ASN Z OD1 3172 N ND2 . ASN C 42 ? 0.32114 0.52016 0.32027 -0.11558 -0.09230 0.05638 21 ASN Z ND2 3179 N N . LEU C 43 ? 0.20137 0.38241 0.23280 -0.10549 -0.04231 0.05530 22 LEU Z N 3180 C CA . LEU C 43 ? 0.21701 0.33983 0.22561 -0.08692 -0.03834 0.04735 22 LEU Z CA 3181 C C . LEU C 43 ? 0.20767 0.28017 0.20768 -0.04456 0.00254 0.05229 22 LEU Z C 3182 O O . LEU C 43 ? 0.20639 0.27017 0.21741 -0.03294 -0.01548 0.04620 22 LEU Z O 3183 C CB . LEU C 43 ? 0.25112 0.37546 0.26484 -0.12118 -0.05228 0.08849 22 LEU Z CB 3184 C CG . LEU C 43 ? 0.33697 0.44355 0.32543 -0.13166 -0.03662 0.08759 22 LEU Z CG 3185 C CD1 . LEU C 43 ? 0.30199 0.43344 0.32500 -0.16422 0.01875 0.10846 22 LEU Z CD1 3186 C CD2 . LEU C 43 ? 0.45787 0.51561 0.37023 -0.12852 -0.03283 0.05804 22 LEU Z CD2 3198 N N . CYS C 44 ? 0.21366 0.24815 0.18142 -0.03524 -0.01451 0.00646 23 CYS Z N 3199 C CA . CYS C 44 ? 0.20723 0.24202 0.15895 -0.03703 0.00693 0.00209 23 CYS Z CA 3200 C C . CYS C 44 ? 0.22357 0.24231 0.18180 -0.02024 -0.01162 0.00697 23 CYS Z C 3201 O O . CYS C 44 ? 0.25127 0.24577 0.20148 -0.01939 -0.02807 0.02447 23 CYS Z O 3202 C CB . CYS C 44 ? 0.20600 0.26901 0.16169 -0.03081 -0.00087 0.02201 23 CYS Z CB 3203 S SG . CYS C 44 ? 0.23818 0.26484 0.17584 -0.03554 -0.02696 0.01047 23 CYS Z SG 3208 N N . TYR C 45 ? 0.19842 0.26111 0.15937 -0.01894 -0.01146 0.00576 24 TYR Z N 3209 C CA . TYR C 45 ? 0.21380 0.25781 0.16607 -0.03132 -0.00976 0.01511 24 TYR Z CA 3210 C C . TYR C 45 ? 0.20690 0.23242 0.17738 -0.03731 -0.00888 0.02356 24 TYR Z C 3211 O O . TYR C 45 ? 0.20077 0.21380 0.16991 -0.03837 -0.02207 0.01938 24 TYR Z O 3212 C CB . TYR C 45 ? 0.20463 0.26209 0.17076 -0.04603 -0.00262 0.01623 24 TYR Z CB 3213 C CG . TYR C 45 ? 0.18375 0.28988 0.18788 -0.02776 -0.01638 0.02486 24 TYR Z CG 3214 C CD1 . TYR C 45 ? 0.19547 0.30722 0.20187 -0.02982 -0.01666 0.03356 24 TYR Z CD1 3215 C CD2 . TYR C 45 ? 0.18121 0.29116 0.19896 -0.05485 -0.02649 0.02624 24 TYR Z CD2 3216 C CE1 . TYR C 45 ? 0.20587 0.31411 0.19925 -0.01814 -0.01008 0.03002 24 TYR Z CE1 3217 C CE2 . TYR C 45 ? 0.17818 0.30642 0.20626 -0.03186 -0.02733 0.03184 24 TYR Z CE2 3218 C CZ . TYR C 45 ? 0.21906 0.29086 0.21983 -0.00730 -0.00167 0.02977 24 TYR Z CZ 3219 O OH . TYR C 45 ? 0.24411 0.29251 0.28257 0.00911 0.00947 0.02868 24 TYR Z OH 3229 N N . ARG C 46 ? 0.22232 0.21966 0.15809 -0.06395 -0.01398 0.01720 25 ARG Z N 3230 C CA . ARG C 46 ? 0.26354 0.22553 0.15860 -0.04299 -0.01826 -0.01354 25 ARG Z CA 3231 C C . ARG C 46 ? 0.23929 0.24458 0.15155 -0.07142 -0.02221 -0.00424 25 ARG Z C 3232 O O . ARG C 46 ? 0.26210 0.25392 0.18333 -0.06920 -0.02967 -0.00179 25 ARG Z O 3233 C CB . ARG C 46 ? 0.22741 0.27030 0.17774 -0.03001 -0.00911 0.01210 25 ARG Z CB 3234 C CG . ARG C 46 ? 0.22613 0.31380 0.21509 -0.01187 -0.02430 0.01479 25 ARG Z CG 3235 C CD . ARG C 46 ? 0.30763 0.43900 0.32384 -0.00806 -0.06489 0.02978 25 ARG Z CD 3236 N NE . ARG C 46 ? 0.47788 0.53364 0.42722 -0.00897 -0.05642 0.06292 25 ARG Z NE 3237 C CZ . ARG C 46 ? 0.69876 0.65198 0.59941 -0.01404 -0.00026 0.05962 25 ARG Z CZ 3238 N NH1 . ARG C 46 ? 0.71351 0.65418 0.61373 -0.03460 0.01179 0.03770 25 ARG Z NH1 3239 N NH2 . ARG C 46 ? 0.71053 0.67444 0.62684 0.01063 0.05479 0.06474 25 ARG Z NH2 3253 N N . LYS C 47 ? 0.21310 0.28529 0.14805 -0.07145 -0.02415 0.00315 26 LYS Z N 3254 C CA . LYS C 47 ? 0.21743 0.30106 0.15663 -0.07842 -0.01268 0.01835 26 LYS Z CA 3255 C C . LYS C 47 ? 0.23338 0.29097 0.15747 -0.10334 -0.00451 0.00869 26 LYS Z C 3256 O O . LYS C 47 ? 0.24422 0.29975 0.17084 -0.09379 -0.02274 0.02608 26 LYS Z O 3257 C CB . LYS C 47 ? 0.26641 0.36759 0.24535 -0.04971 0.01272 0.04279 26 LYS Z CB 3258 C CG . LYS C 47 ? 0.30853 0.46327 0.32547 -0.03576 0.01319 0.02252 26 LYS Z CG 3259 C CD . LYS C 47 ? 0.36067 0.53623 0.43903 -0.00937 0.01365 -0.00104 26 LYS Z CD 3260 C CE . LYS C 47 ? 0.47072 0.63230 0.53051 -0.00930 0.02598 -0.00865 26 LYS Z CE 3261 N NZ . LYS C 47 ? 0.47353 0.65411 0.55843 -0.00826 0.03081 -0.01574 26 LYS Z NZ 3275 N N . MET C 48 ? 0.24769 0.29481 0.13936 -0.08596 0.01562 0.00402 27 MET Z N 3276 C CA . MET C 48 ? 0.27889 0.30017 0.13726 -0.09331 0.02549 -0.00659 27 MET Z CA 3277 C C . MET C 48 ? 0.27325 0.27275 0.16092 -0.09662 0.00132 -0.00207 27 MET Z C 3278 O O . MET C 48 ? 0.27748 0.30603 0.17540 -0.10995 0.01412 0.00506 27 MET Z O 3279 C CB . MET C 48 ? 0.29409 0.35659 0.16727 -0.04446 0.04752 -0.01838 27 MET Z CB 3280 C CG . MET C 48 ? 0.32317 0.41288 0.23909 0.04403 0.04707 -0.02440 27 MET Z CG 3281 S SD . MET C 48 ? 0.39756 0.45054 0.34803 0.05129 0.03732 -0.00051 27 MET Z SD 3282 C CE . MET C 48 ? 0.40347 0.42984 0.37713 0.04723 0.02652 -0.01681 27 MET Z CE 3292 N N . TRP C 49 ? 0.23442 0.26105 0.15793 -0.05892 0.01511 -0.00723 28 TRP Z N 3293 C CA . TRP C 49 ? 0.24290 0.26085 0.14099 -0.05497 0.01773 -0.04506 28 TRP Z CA 3294 C C . TRP C 49 ? 0.22565 0.26272 0.12991 -0.06559 0.03900 -0.03033 28 TRP Z C 3295 O O . TRP C 49 ? 0.23525 0.30901 0.15315 -0.05991 0.04043 -0.01610 28 TRP Z O 3296 C CB . TRP C 49 ? 0.23584 0.26900 0.18103 -0.05573 0.03698 -0.03613 28 TRP Z CB 3297 C CG . TRP C 49 ? 0.23845 0.27857 0.19445 -0.04176 0.05548 -0.03719 28 TRP Z CG 3298 C CD1 . TRP C 49 ? 0.23905 0.30827 0.20632 -0.03111 0.04063 -0.01814 28 TRP Z CD1 3299 C CD2 . TRP C 49 ? 0.24077 0.29418 0.18497 -0.02289 0.04798 -0.02785 28 TRP Z CD2 3300 N NE1 . TRP C 49 ? 0.26057 0.32534 0.21121 -0.02588 0.05064 -0.01134 28 TRP Z NE1 3301 C CE2 . TRP C 49 ? 0.24233 0.31506 0.17724 -0.01727 0.04944 -0.01358 28 TRP Z CE2 3302 C CE3 . TRP C 49 ? 0.26343 0.29037 0.20141 -0.01861 0.04361 -0.00575 28 TRP Z CE3 3303 C CZ2 . TRP C 49 ? 0.24608 0.34206 0.20483 0.00348 0.03770 -0.01994 28 TRP Z CZ2 3304 C CZ3 . TRP C 49 ? 0.28385 0.28838 0.19170 -0.03522 0.02909 -0.01420 28 TRP Z CZ3 3305 C CH2 . TRP C 49 ? 0.26868 0.30755 0.19782 -0.01974 0.02949 -0.01944 28 TRP Z CH2 3316 N N . CYS C 50 ? 0.27182 0.27066 0.13956 -0.04097 0.02571 -0.03393 29 CYS Z N 3317 C CA . CYS C 50 ? 0.25891 0.30106 0.13771 -0.04464 0.04038 -0.01980 29 CYS Z CA 3318 C C . CYS C 50 ? 0.25904 0.30703 0.15002 -0.05231 0.06395 -0.03952 29 CYS Z C 3319 O O . CYS C 50 ? 0.24973 0.32465 0.19288 -0.04090 0.04003 -0.03175 29 CYS Z O 3320 C CB . CYS C 50 ? 0.25539 0.33387 0.14920 -0.02596 -0.00916 -0.01470 29 CYS Z CB 3321 S SG . CYS C 50 ? 0.29543 0.34267 0.18431 -0.04433 -0.00945 0.00490 29 CYS Z SG 3327 N N . ASP C 51 ? 0.26431 0.30713 0.18286 -0.07868 0.05921 -0.04404 30 ASP Z N 3328 C CA . ASP C 51 ? 0.27691 0.32472 0.20261 -0.08218 0.07777 -0.05332 30 ASP Z CA 3329 C C . ASP C 51 ? 0.29869 0.33191 0.18922 -0.07501 0.07745 -0.04632 30 ASP Z C 3330 O O . ASP C 51 ? 0.28719 0.31871 0.18554 -0.07745 0.07409 -0.04203 30 ASP Z O 3331 C CB . ASP C 51 ? 0.27515 0.32901 0.20313 -0.06809 0.05406 -0.05457 30 ASP Z CB 3332 C CG . ASP C 51 ? 0.27395 0.29027 0.20091 -0.06417 0.04859 -0.03012 30 ASP Z CG 3333 O OD1 . ASP C 51 ? 0.28410 0.29517 0.16624 -0.08110 0.05525 -0.04036 30 ASP Z OD1 3334 O OD2 . ASP C 51 ? 0.27879 0.29946 0.25435 -0.01800 0.03701 -0.02745 30 ASP Z OD2 3339 N N . ALA C 52 ? 0.30736 0.33539 0.18206 -0.06370 0.08088 -0.05375 31 ALA Z N 3340 C CA . ALA C 52 ? 0.33811 0.38111 0.19447 -0.05793 0.05957 -0.05196 31 ALA Z CA 3341 C C . ALA C 52 ? 0.28979 0.38103 0.17933 -0.09556 0.05633 -0.02914 31 ALA Z C 3342 O O . ALA C 52 ? 0.34242 0.42624 0.19332 -0.11314 0.02885 -0.03593 31 ALA Z O 3343 C CB . ALA C 52 ? 0.33995 0.39280 0.19200 -0.03135 0.02471 -0.06783 31 ALA Z CB 3349 N N . PHE C 53 ? 0.28030 0.34701 0.15757 -0.12297 0.04745 -0.02251 32 PHE Z N 3350 C CA . PHE C 53 ? 0.28218 0.32897 0.15414 -0.09991 0.02310 -0.01256 32 PHE Z CA 3351 C C . PHE C 53 ? 0.24121 0.31192 0.14027 -0.08199 0.02123 0.02396 32 PHE Z C 3352 O O . PHE C 53 ? 0.25286 0.32431 0.14169 -0.06466 0.00292 0.01102 32 PHE Z O 3353 C CB . PHE C 53 ? 0.32763 0.33647 0.19418 -0.07634 0.05564 -0.03010 32 PHE Z CB 3354 C CG . PHE C 53 ? 0.36159 0.36244 0.21489 -0.10341 0.06739 -0.03464 32 PHE Z CG 3355 C CD1 . PHE C 53 ? 0.37860 0.39660 0.24445 -0.08837 0.05209 -0.02439 32 PHE Z CD1 3356 C CD2 . PHE C 53 ? 0.40757 0.37958 0.21441 -0.11575 0.06756 -0.05991 32 PHE Z CD2 3357 C CE1 . PHE C 53 ? 0.38854 0.41902 0.27273 -0.08783 0.07346 -0.01006 32 PHE Z CE1 3358 C CE2 . PHE C 53 ? 0.40822 0.39166 0.24414 -0.13269 0.06009 -0.04312 32 PHE Z CE2 3359 C CZ . PHE C 53 ? 0.43374 0.43652 0.27811 -0.09427 0.07140 -0.02391 32 PHE Z CZ 3369 N N . CYS C 54 ? 0.27389 0.30727 0.14065 -0.05010 0.02995 -0.00249 33 CYS Z N 3370 C CA . CYS C 54 ? 0.26290 0.31442 0.17107 -0.02955 0.01482 -0.00134 33 CYS Z CA 3371 C C . CYS C 54 ? 0.24875 0.33002 0.16177 -0.03524 0.00342 0.02038 33 CYS Z C 3372 O O . CYS C 54 ? 0.24591 0.31883 0.17573 -0.03660 0.01173 0.01932 33 CYS Z O 3373 C CB . CYS C 54 ? 0.23816 0.29937 0.16406 -0.04221 -0.01847 -0.01204 33 CYS Z CB 3374 S SG . CYS C 54 ? 0.28685 0.30476 0.15460 -0.05221 -0.02087 -0.02856 33 CYS Z SG 3380 N N . SER C 55 ? 0.25119 0.36655 0.13649 -0.05606 -0.01578 0.01178 34 SER Z N 3381 C CA . SER C 55 ? 0.27305 0.35407 0.14173 -0.06798 -0.03403 0.03964 34 SER Z CA 3382 C C . SER C 55 ? 0.24987 0.35603 0.16513 -0.06869 -0.04589 0.06591 34 SER Z C 3383 O O . SER C 55 ? 0.26861 0.36495 0.20912 -0.05822 -0.05874 0.07621 34 SER Z O 3384 C CB . SER C 55 ? 0.31969 0.34531 0.16981 -0.09696 -0.04699 0.02930 34 SER Z CB 3385 O OG . SER C 55 ? 0.35051 0.36014 0.20108 -0.10109 -0.05327 0.00091 34 SER Z OG 3391 N N . SER C 56 ? 0.24812 0.36532 0.15149 -0.06958 -0.01910 0.05830 35 SER Z N 3392 C CA . SER C 56 ? 0.23945 0.35176 0.14509 -0.07562 -0.01138 0.02670 35 SER Z CA 3393 C C . SER C 56 ? 0.23587 0.30247 0.16280 -0.02374 -0.02263 0.02391 35 SER Z C 3394 O O . SER C 56 ? 0.25466 0.29356 0.18879 -0.04040 -0.02134 -0.00613 35 SER Z O 3395 C CB . SER C 56 ? 0.29131 0.38220 0.18734 -0.09500 -0.03070 0.00859 35 SER Z CB 3396 O OG . SER C 56 ? 0.37265 0.42096 0.25107 -0.08145 -0.01831 -0.00898 35 SER Z OG 3402 N N . ARG C 57 ? 0.23750 0.30031 0.15578 -0.00736 -0.02709 0.03203 36 ARG Z N 3403 C CA . ARG C 57 ? 0.21526 0.29124 0.13588 -0.02638 -0.04042 0.02992 36 ARG Z CA 3404 C C . ARG C 57 ? 0.19679 0.26872 0.14818 -0.01840 -0.02972 0.02431 36 ARG Z C 3405 O O . ARG C 57 ? 0.18243 0.24274 0.15196 -0.01300 -0.01103 -0.01524 36 ARG Z O 3406 C CB . ARG C 57 ? 0.22894 0.26154 0.15331 -0.04710 -0.00625 0.01906 36 ARG Z CB 3407 C CG . ARG C 57 ? 0.21038 0.27227 0.16207 -0.07066 0.01575 0.01784 36 ARG Z CG 3408 C CD . ARG C 57 ? 0.18343 0.24464 0.16108 -0.04775 0.01315 0.00968 36 ARG Z CD 3409 N NE . ARG C 57 ? 0.16852 0.24050 0.18473 -0.01583 0.00400 -0.00220 36 ARG Z NE 3410 C CZ . ARG C 57 ? 0.18081 0.26060 0.20600 -0.01315 0.00625 -0.01830 36 ARG Z CZ 3411 N NH1 . ARG C 57 ? 0.19666 0.24913 0.17477 -0.03316 0.00065 -0.01207 36 ARG Z NH1 3412 N NH2 . ARG C 57 ? 0.18349 0.25426 0.20564 -0.01918 0.01027 -0.01505 36 ARG Z NH2 3426 N N . GLY C 58 ? 0.21385 0.22960 0.14587 -0.04062 -0.02415 0.01499 37 GLY Z N 3427 C CA . GLY C 58 ? 0.21448 0.25086 0.16846 -0.04981 -0.00694 0.01009 37 GLY Z CA 3428 C C . GLY C 58 ? 0.19704 0.23442 0.14353 -0.02890 0.00622 -0.00129 37 GLY Z C 3429 O O . GLY C 58 ? 0.21768 0.23806 0.14289 -0.02871 -0.00282 -0.00944 37 GLY Z O 3433 N N . LYS C 59 ? 0.22156 0.25589 0.13047 -0.02360 -0.00615 -0.00270 38 LYS Z N 3434 C CA . LYS C 59 ? 0.19829 0.28149 0.13734 -0.03834 -0.00716 -0.00136 38 LYS Z CA 3435 C C . LYS C 59 ? 0.17987 0.29717 0.13890 -0.03566 -0.00023 -0.00291 38 LYS Z C 3436 O O . LYS C 59 ? 0.19915 0.28577 0.13705 -0.03361 -0.00025 0.01642 38 LYS Z O 3437 C CB . LYS C 59 ? 0.24339 0.27769 0.18418 -0.07223 -0.01936 0.01431 38 LYS Z CB 3438 C CG . LYS C 59 ? 0.34873 0.32885 0.27242 -0.10374 -0.02256 0.07776 38 LYS Z CG 3439 C CD . LYS C 59 ? 0.48268 0.46819 0.39223 -0.11126 -0.04233 0.11505 38 LYS Z CD 3440 C CE . LYS C 59 ? 0.63180 0.61018 0.50302 -0.08807 -0.04685 0.10243 38 LYS Z CE 3441 N NZ . LYS C 59 ? 0.76763 0.74309 0.61828 -0.06117 -0.04034 0.07280 38 LYS Z NZ 3455 N N . VAL C 60 ? 0.19216 0.27895 0.13028 -0.02189 0.00745 0.01569 39 VAL Z N 3456 C CA . VAL C 60 ? 0.20954 0.26863 0.14598 -0.02031 0.00540 -0.01060 39 VAL Z CA 3457 C C . VAL C 60 ? 0.18108 0.26430 0.13671 -0.01822 0.01176 -0.00702 39 VAL Z C 3458 O O . VAL C 60 ? 0.20893 0.27224 0.15211 -0.01009 0.00844 -0.00648 39 VAL Z O 3459 C CB . VAL C 60 ? 0.21347 0.23948 0.16776 -0.01799 0.02104 -0.01211 39 VAL Z CB 3460 C CG1 . VAL C 60 ? 0.25681 0.26520 0.17640 0.01946 0.00898 -0.00359 39 VAL Z CG1 3461 C CG2 . VAL C 60 ? 0.27988 0.24978 0.18363 -0.02029 0.02325 -0.01005 39 VAL Z CG2 3471 N N . VAL C 61 ? 0.16815 0.25127 0.14075 -0.00108 0.00580 -0.00857 40 VAL Z N 3472 C CA . VAL C 61 ? 0.16691 0.23757 0.14739 -0.02896 -0.02556 -0.00127 40 VAL Z CA 3473 C C . VAL C 61 ? 0.19550 0.23309 0.16740 -0.02423 -0.00891 0.00096 40 VAL Z C 3474 O O . VAL C 61 ? 0.19698 0.21306 0.16496 -0.03526 0.00421 -0.00486 40 VAL Z O 3475 C CB . VAL C 61 ? 0.19320 0.26864 0.16162 0.00636 -0.02139 -0.02195 40 VAL Z CB 3476 C CG1 . VAL C 61 ? 0.20282 0.28652 0.17919 0.02474 -0.01384 -0.00678 40 VAL Z CG1 3477 C CG2 . VAL C 61 ? 0.23280 0.30884 0.21098 0.01820 -0.01395 -0.03644 40 VAL Z CG2 3487 N N . GLU C 62 ? 0.18224 0.25439 0.16121 -0.03159 -0.00345 0.01273 41 GLU Z N 3488 C CA . GLU C 62 ? 0.17361 0.25777 0.16977 -0.00097 -0.00726 -0.00214 41 GLU Z CA 3489 C C . GLU C 62 ? 0.18086 0.22590 0.15745 0.01122 -0.00436 0.00166 41 GLU Z C 3490 O O . GLU C 62 ? 0.20017 0.22677 0.16871 -0.00873 -0.02256 0.01190 41 GLU Z O 3491 C CB . GLU C 62 ? 0.16599 0.25681 0.19316 0.01469 -0.00331 0.00646 41 GLU Z CB 3492 C CG . GLU C 62 ? 0.15292 0.31275 0.22197 0.03066 -0.00077 0.00828 41 GLU Z CG 3493 C CD . GLU C 62 ? 0.20385 0.36738 0.26762 0.01721 -0.00011 -0.03320 41 GLU Z CD 3494 O OE1 . GLU C 62 ? 0.26161 0.42860 0.30595 0.00424 0.00008 -0.02009 41 GLU Z OE1 3495 O OE2 . GLU C 62 ? 0.22760 0.38403 0.29566 0.00444 0.01714 -0.03681 41 GLU Z OE2 3502 N N . LEU C 63 ? 0.17780 0.22554 0.17325 -0.02374 -0.01162 0.01507 42 LEU Z N 3503 C CA . LEU C 63 ? 0.13347 0.22142 0.17368 -0.02890 -0.01446 0.00737 42 LEU Z CA 3504 C C . LEU C 63 ? 0.13839 0.23663 0.18087 -0.00572 -0.00586 0.02254 42 LEU Z C 3505 O O . LEU C 63 ? 0.18108 0.23356 0.18838 -0.01617 0.00385 0.02771 42 LEU Z O 3506 C CB . LEU C 63 ? 0.13868 0.24395 0.17929 -0.03530 -0.00142 0.01112 42 LEU Z CB 3507 C CG . LEU C 63 ? 0.16262 0.21131 0.16684 -0.03707 0.00794 0.02258 42 LEU Z CG 3508 C CD1 . LEU C 63 ? 0.18638 0.21949 0.17834 -0.03114 0.01296 0.02990 42 LEU Z CD1 3509 C CD2 . LEU C 63 ? 0.16824 0.20745 0.17765 -0.02935 0.01028 0.03102 42 LEU Z CD2 3521 N N . GLY C 64 ? 0.15030 0.25013 0.16189 -0.01961 -0.01960 0.03746 43 GLY Z N 3522 C CA . GLY C 64 ? 0.17849 0.26548 0.18007 -0.03888 -0.03477 0.02322 43 GLY Z CA 3523 C C . GLY C 64 ? 0.20565 0.24661 0.20448 -0.02626 -0.02493 0.02201 43 GLY Z C 3524 O O . GLY C 64 ? 0.19535 0.22976 0.19507 -0.04755 -0.01431 0.03458 43 GLY Z O 3528 N N . CYS C 65 ? 0.19139 0.25374 0.20191 -0.01892 -0.03379 0.03381 44 CYS Z N 3529 C CA . CYS C 65 ? 0.18945 0.29313 0.22333 -0.01680 -0.04041 0.02144 44 CYS Z CA 3530 C C . CYS C 65 ? 0.19610 0.31232 0.21787 -0.01725 -0.03820 0.02279 44 CYS Z C 3531 O O . CYS C 65 ? 0.19678 0.33863 0.21472 -0.02213 -0.02992 0.01931 44 CYS Z O 3532 C CB . CYS C 65 ? 0.16653 0.34407 0.21866 -0.02123 -0.02669 0.04570 44 CYS Z CB 3533 S SG . CYS C 65 ? 0.21391 0.35040 0.25760 -0.02085 -0.02499 0.05767 44 CYS Z SG 3538 N N . ALA C 66 ? 0.19362 0.35908 0.23178 -0.03932 -0.04469 0.05247 45 ALA Z N 3539 C CA . ALA C 66 ? 0.18552 0.40313 0.24749 -0.04920 -0.05111 0.04906 45 ALA Z CA 3540 C C . ALA C 66 ? 0.16250 0.43043 0.26442 -0.04231 -0.04805 0.06682 45 ALA Z C 3541 O O . ALA C 66 ? 0.18874 0.43900 0.26131 -0.05717 -0.05450 0.07988 45 ALA Z O 3542 C CB . ALA C 66 ? 0.22628 0.41345 0.24576 -0.05792 -0.06059 0.06098 45 ALA Z CB 3548 N N . ALA C 67 ? 0.19178 0.46608 0.29664 -0.04564 -0.03691 0.08006 46 ALA Z N 3549 C CA . ALA C 67 ? 0.19207 0.48882 0.31136 -0.06299 -0.04606 0.09117 46 ALA Z CA 3550 C C . ALA C 67 ? 0.23174 0.51637 0.31686 -0.07628 -0.04020 0.10476 46 ALA Z C 3551 O O . ALA C 67 ? 0.25109 0.54937 0.34323 -0.09095 -0.02973 0.13741 46 ALA Z O 3552 C CB . ALA C 67 ? 0.19958 0.51141 0.35035 -0.06993 -0.03863 0.11746 46 ALA Z CB 3558 N N . THR C 68 ? 0.23318 0.55689 0.33238 -0.07284 -0.04939 0.10337 47 THR Z N 3559 C CA . THR C 68 ? 0.24027 0.59517 0.35870 -0.08375 -0.02535 0.08048 47 THR Z CA 3560 C C . THR C 68 ? 0.23323 0.54174 0.32220 -0.07121 -0.00331 0.05227 47 THR Z C 3561 O O . THR C 68 ? 0.23974 0.53938 0.29390 -0.07016 0.00935 0.05657 47 THR Z O 3562 C CB . THR C 68 ? 0.29470 0.66607 0.43846 -0.07258 -0.01913 0.08976 47 THR Z CB 3563 O OG1 . THR C 68 ? 0.43297 0.77678 0.55469 -0.04068 -0.01994 0.09223 47 THR Z OG1 3564 C CG2 . THR C 68 ? 0.27930 0.65634 0.45749 -0.07971 -0.00131 0.10759 47 THR Z CG2 3572 N N . CYS C 69 ? 0.21877 0.50530 0.31722 -0.08666 0.00252 0.02627 48 CYS Z N 3573 C CA . CYS C 69 ? 0.22986 0.49652 0.32012 -0.06807 -0.01734 0.02155 48 CYS Z CA 3574 C C . CYS C 69 ? 0.23122 0.49336 0.32826 -0.04984 0.00704 0.02857 48 CYS Z C 3575 O O . CYS C 69 ? 0.26025 0.50171 0.33931 -0.05074 0.01812 0.03119 48 CYS Z O 3576 C CB . CYS C 69 ? 0.24703 0.49416 0.33872 -0.05196 -0.01773 0.01700 48 CYS Z CB 3577 S SG . CYS C 69 ? 0.29350 0.48206 0.33826 -0.03835 -0.02531 0.01588 48 CYS Z SG 3582 N N . PRO C 70 ? 0.23509 0.48349 0.33573 -0.03106 0.02027 0.02365 49 PRO Z N 3583 C CA . PRO C 70 ? 0.26638 0.50256 0.34281 -0.03002 0.01594 0.04414 49 PRO Z CA 3584 C C . PRO C 70 ? 0.25075 0.52093 0.35663 -0.02236 0.02398 0.03573 49 PRO Z C 3585 O O . PRO C 70 ? 0.26592 0.52926 0.34903 -0.03087 0.01840 0.04933 49 PRO Z O 3586 C CB . PRO C 70 ? 0.28439 0.48737 0.34740 -0.03981 0.01593 0.03622 49 PRO Z CB 3587 C CG . PRO C 70 ? 0.27533 0.48528 0.36164 -0.02684 0.02980 0.02197 49 PRO Z CG 3588 C CD . PRO C 70 ? 0.22698 0.48140 0.34899 -0.02201 0.01278 0.00443 49 PRO Z CD 3596 N N . SER C 71 ? 0.30087 0.58133 0.42021 -0.01769 0.03294 0.01335 50 SER Z N 3597 C CA . SER C 71 ? 0.34052 0.64592 0.43622 -0.01578 0.06905 0.03094 50 SER Z CA 3598 C C . SER C 71 ? 0.35971 0.62781 0.42610 -0.00453 0.05145 0.03056 50 SER Z C 3599 O O . SER C 71 ? 0.34583 0.62242 0.39402 0.01446 -0.01240 0.00584 50 SER Z O 3600 C CB . SER C 71 ? 0.37372 0.73110 0.50301 -0.01219 0.06889 0.03849 50 SER Z CB 3601 O OG . SER C 71 ? 0.44796 0.79712 0.54065 -0.02148 0.06694 0.04564 50 SER Z OG 3607 N N . LYS C 72 ? 0.44521 0.65378 0.49264 -0.00981 0.06748 0.03504 51 LYS Z N 3608 C CA . LYS C 72 ? 0.50317 0.68579 0.50033 -0.03707 0.05284 0.03950 51 LYS Z CA 3609 C C . LYS C 72 ? 0.48620 0.68020 0.49143 -0.04203 0.05815 0.04868 51 LYS Z C 3610 O O . LYS C 72 ? 0.46113 0.63029 0.48406 -0.07137 0.07669 0.05259 51 LYS Z O 3611 C CB . LYS C 72 ? 0.59176 0.76272 0.61045 -0.05549 0.03146 0.03914 51 LYS Z CB 3612 C CG . LYS C 72 ? 0.64675 0.79193 0.65177 -0.08786 0.02129 0.03881 51 LYS Z CG 3613 C CD . LYS C 72 ? 0.65494 0.76037 0.62121 -0.11466 0.01507 0.04025 51 LYS Z CD 3614 C CE . LYS C 72 ? 0.65076 0.74347 0.63798 -0.12970 0.00400 0.05300 51 LYS Z CE 3615 N NZ . LYS C 72 ? 0.67400 0.79198 0.68677 -0.15393 -0.00566 0.05547 51 LYS Z NZ 3629 N N . LYS C 73 ? 0.48096 0.68883 0.49026 -0.00823 0.05002 0.05574 52 LYS Z N 3630 C CA . LYS C 73 ? 0.48494 0.67277 0.46647 0.01827 0.06949 0.05704 52 LYS Z CA 3631 C C . LYS C 73 ? 0.38658 0.59685 0.37366 0.02830 0.10397 0.08482 52 LYS Z C 3632 O O . LYS C 73 ? 0.30664 0.54279 0.30133 0.02920 0.08854 0.13195 52 LYS Z O 3633 C CB . LYS C 73 ? 0.60740 0.77917 0.59031 0.02233 0.07246 0.04799 52 LYS Z CB 3634 C CG . LYS C 73 ? 0.74172 0.88181 0.71393 0.03255 0.06620 0.03767 52 LYS Z CG 3635 C CD . LYS C 73 ? 0.85929 0.98744 0.82229 0.04080 0.06736 0.02453 52 LYS Z CD 3636 C CE . LYS C 73 ? 0.85146 1.00150 0.83047 0.05399 0.06481 0.01669 52 LYS Z CE 3637 N NZ . LYS C 73 ? 0.88297 1.03438 0.85520 0.07028 0.06662 0.01008 52 LYS Z NZ 3651 N N . PRO C 74 ? 0.32948 0.54958 0.34135 -0.00516 0.12622 0.03029 53 PRO Z N 3652 C CA . PRO C 74 ? 0.33701 0.50302 0.31915 -0.02268 0.11991 0.00374 53 PRO Z CA 3653 C C . PRO C 74 ? 0.33432 0.43715 0.29907 -0.04239 0.11156 -0.01071 53 PRO Z C 3654 O O . PRO C 74 ? 0.35743 0.40297 0.32622 -0.00584 0.10705 -0.03079 53 PRO Z O 3655 C CB . PRO C 74 ? 0.33026 0.52279 0.33865 -0.03255 0.10839 -0.01333 53 PRO Z CB 3656 C CG . PRO C 74 ? 0.34585 0.55711 0.33747 -0.03619 0.09630 -0.00666 53 PRO Z CG 3657 C CD . PRO C 74 ? 0.38504 0.61454 0.34510 -0.01400 0.11002 -0.00032 53 PRO Z CD 3665 N N . TYR C 75 ? 0.29182 0.41063 0.24235 -0.10713 0.10339 -0.01524 54 TYR Z N 3666 C CA . TYR C 75 ? 0.28984 0.38000 0.22625 -0.12241 0.08637 -0.02399 54 TYR Z CA 3667 C C . TYR C 75 ? 0.33327 0.38475 0.22832 -0.12609 0.08964 -0.02306 54 TYR Z C 3668 O O . TYR C 75 ? 0.37439 0.45139 0.24001 -0.14344 0.10602 -0.04912 54 TYR Z O 3669 C CB . TYR C 75 ? 0.34184 0.38020 0.25053 -0.09193 0.07019 -0.03359 54 TYR Z CB 3670 C CG . TYR C 75 ? 0.35432 0.36611 0.26742 -0.10454 0.06611 -0.03880 54 TYR Z CG 3671 C CD1 . TYR C 75 ? 0.34039 0.38998 0.26594 -0.08429 0.04282 -0.03150 54 TYR Z CD1 3672 C CD2 . TYR C 75 ? 0.35913 0.35256 0.26983 -0.11689 0.09356 -0.02235 54 TYR Z CD2 3673 C CE1 . TYR C 75 ? 0.37475 0.43069 0.27808 -0.09271 0.02851 -0.01363 54 TYR Z CE1 3674 C CE2 . TYR C 75 ? 0.38663 0.40498 0.26889 -0.10691 0.10539 -0.01361 54 TYR Z CE2 3675 C CZ . TYR C 75 ? 0.43115 0.41788 0.24937 -0.10539 0.07106 -0.01051 54 TYR Z CZ 3676 O OH . TYR C 75 ? 0.51533 0.47007 0.26969 -0.12152 0.07286 0.01168 54 TYR Z OH 3686 N N A GLU C 76 ? 0.31121 0.34197 0.21615 -0.10444 0.07250 -0.00414 55 GLU Z N 3687 N N B GLU C 76 ? 0.30209 0.33318 0.20010 -0.10894 0.07246 -0.00604 55 GLU Z N 3688 C CA A GLU C 76 ? 0.31381 0.34821 0.22694 -0.07016 0.06486 0.00077 55 GLU Z CA 3689 C CA B GLU C 76 ? 0.29553 0.33299 0.20190 -0.07396 0.06613 -0.00160 55 GLU Z CA 3690 C C A GLU C 76 ? 0.26706 0.32673 0.24524 -0.08147 0.06322 -0.01518 55 GLU Z C 3691 C C B GLU C 76 ? 0.26004 0.32193 0.23728 -0.08446 0.06379 -0.01644 55 GLU Z C 3692 O O A GLU C 76 ? 0.26165 0.33684 0.26673 -0.08919 0.05866 -0.02649 55 GLU Z O 3693 O O B GLU C 76 ? 0.25511 0.33672 0.26962 -0.09502 0.06166 -0.02733 55 GLU Z O 3694 C CB A GLU C 76 ? 0.36704 0.38135 0.25952 -0.04401 0.06125 0.01620 55 GLU Z CB 3695 C CB B GLU C 76 ? 0.33875 0.36670 0.23509 -0.04448 0.07737 0.01422 55 GLU Z CB 3696 C CG A GLU C 76 ? 0.40122 0.39979 0.29051 -0.04264 0.05503 0.01658 55 GLU Z CG 3697 C CG B GLU C 76 ? 0.39003 0.40951 0.28544 -0.04047 0.08226 0.02160 55 GLU Z CG 3698 C CD A GLU C 76 ? 0.43362 0.43519 0.33477 -0.01819 0.06044 0.01027 55 GLU Z CD 3699 C CD B GLU C 76 ? 0.42945 0.45258 0.35148 -0.03682 0.06742 0.04115 55 GLU Z CD 3700 O OE1 A GLU C 76 ? 0.43789 0.45906 0.36290 -0.02701 0.04533 0.02471 55 GLU Z OE1 3701 O OE1 B GLU C 76 ? 0.37342 0.44083 0.33387 -0.03058 0.05096 0.05545 55 GLU Z OE1 3702 O OE2 A GLU C 76 ? 0.45260 0.44505 0.34039 0.03356 0.07929 0.00428 55 GLU Z OE2 3703 O OE2 B GLU C 76 ? 0.52241 0.52631 0.44511 -0.04382 0.07505 0.04484 55 GLU Z OE2 3716 N N . GLU C 77 ? 0.26710 0.31164 0.21684 -0.09754 0.04986 -0.00165 56 GLU Z N 3717 C CA . GLU C 77 ? 0.32451 0.37891 0.21839 -0.10747 0.02141 0.01929 56 GLU Z CA 3718 C C . GLU C 77 ? 0.26302 0.30861 0.17387 -0.10900 0.00405 0.02698 56 GLU Z C 3719 O O . GLU C 77 ? 0.30852 0.29624 0.18144 -0.11492 -0.00021 0.02351 56 GLU Z O 3720 C CB . GLU C 77 ? 0.53150 0.59510 0.37455 -0.08895 -0.01499 0.03140 56 GLU Z CB 3721 C CG . GLU C 77 ? 0.72128 0.78886 0.59527 -0.07453 -0.01807 0.03582 56 GLU Z CG 3722 C CD . GLU C 77 ? 0.96200 1.01687 0.78245 -0.07206 -0.02220 0.05079 56 GLU Z CD 3723 O OE1 . GLU C 77 ? 0.98126 1.03479 0.81264 -0.07116 -0.02341 0.06643 56 GLU Z OE1 3724 O OE2 . GLU C 77 ? 1.06505 1.10268 0.88533 -0.07386 -0.02285 0.04675 56 GLU Z OE2 3731 N N . VAL C 78 ? 0.25318 0.33195 0.15770 -0.09005 0.01136 -0.00330 57 VAL Z N 3732 C CA . VAL C 78 ? 0.25774 0.34779 0.17102 -0.05306 -0.01369 0.00976 57 VAL Z CA 3733 C C . VAL C 78 ? 0.29802 0.31626 0.17448 -0.07998 -0.01439 0.01444 57 VAL Z C 3734 O O . VAL C 78 ? 0.35721 0.30026 0.19064 -0.08546 -0.00472 0.01737 57 VAL Z O 3735 C CB . VAL C 78 ? 0.31686 0.39524 0.21839 -0.02246 -0.03505 -0.01730 57 VAL Z CB 3736 C CG1 . VAL C 78 ? 0.32956 0.42384 0.23018 -0.03211 -0.02546 -0.01759 57 VAL Z CG1 3737 C CG2 . VAL C 78 ? 0.34230 0.41176 0.27765 -0.02198 -0.00218 0.00269 57 VAL Z CG2 3747 N N . THR C 79 ? 0.28726 0.29975 0.17837 -0.06817 -0.01584 0.02260 58 THR Z N 3748 C CA . THR C 79 ? 0.30150 0.29421 0.17982 -0.05658 -0.02397 0.04740 58 THR Z CA 3749 C C . THR C 79 ? 0.29097 0.25910 0.17919 -0.05598 -0.02003 0.04363 58 THR Z C 3750 O O . THR C 79 ? 0.30359 0.23398 0.18714 -0.06688 -0.01574 0.03605 58 THR Z O 3751 C CB . THR C 79 ? 0.36033 0.38383 0.23069 0.01911 -0.03418 0.05177 58 THR Z CB 3752 O OG1 . THR C 79 ? 0.30632 0.44314 0.27442 0.01172 0.00202 0.04839 58 THR Z OG1 3753 C CG2 . THR C 79 ? 0.41019 0.36805 0.22184 0.07174 -0.06291 0.04671 58 THR Z CG2 3761 N N . CYS C 80 ? 0.26965 0.31828 0.17029 -0.05565 -0.00386 0.02691 59 CYS Z N 3762 C CA . CYS C 80 ? 0.24390 0.31832 0.18985 -0.05451 -0.01044 0.03820 59 CYS Z CA 3763 C C . CYS C 80 ? 0.23153 0.27212 0.18503 -0.06338 -0.02775 0.06335 59 CYS Z C 3764 O O . CYS C 80 ? 0.29254 0.26959 0.18668 -0.06268 -0.02787 0.03642 59 CYS Z O 3765 C CB . CYS C 80 ? 0.22888 0.35982 0.21491 -0.05945 0.00959 0.00265 59 CYS Z CB 3766 S SG . CYS C 80 ? 0.22879 0.40796 0.30740 -0.04719 0.03233 -0.02496 59 CYS Z SG 3771 N N . CYS C 81 ? 0.21568 0.29647 0.17213 -0.05216 -0.01338 0.04779 60 CYS Z N 3772 C CA . CYS C 81 ? 0.23211 0.30264 0.17727 -0.05109 -0.00419 0.02652 60 CYS Z CA 3773 C C . CYS C 81 ? 0.21692 0.25051 0.18851 -0.03483 -0.02305 0.02622 60 CYS Z C 3774 O O . CYS C 81 ? 0.23768 0.23395 0.18661 -0.01057 -0.04275 0.02901 60 CYS Z O 3775 C CB . CYS C 81 ? 0.26037 0.30627 0.20162 -0.02280 -0.00338 0.00529 60 CYS Z CB 3776 S SG . CYS C 81 ? 0.25776 0.32588 0.19753 -0.03747 -0.01952 0.01613 60 CYS Z SG 3781 N N . SER C 82 ? 0.22515 0.27265 0.16870 -0.03098 -0.01965 0.01324 61 SER Z N 3782 C CA . SER C 82 ? 0.25449 0.26717 0.18519 -0.07197 -0.04835 0.00430 61 SER Z CA 3783 C C . SER C 82 ? 0.24340 0.30642 0.17483 -0.07930 -0.03273 0.02606 61 SER Z C 3784 O O . SER C 82 ? 0.25878 0.36323 0.18433 -0.07260 -0.04892 0.00167 61 SER Z O 3785 C CB . SER C 82 ? 0.32132 0.28243 0.25305 -0.07979 -0.07952 0.00666 61 SER Z CB 3786 O OG . SER C 82 ? 0.36298 0.32774 0.30102 -0.06769 -0.06083 0.03202 61 SER Z OG 3792 N N . THR C 83 ? 0.23588 0.28984 0.17919 -0.06771 -0.01599 0.03654 62 THR Z N 3793 C CA . THR C 83 ? 0.25118 0.28922 0.17957 -0.05282 -0.01579 0.04267 62 THR Z CA 3794 C C . THR C 83 ? 0.25617 0.29692 0.17803 -0.04653 -0.01573 0.04953 62 THR Z C 3795 O O . THR C 83 ? 0.23677 0.28539 0.17997 -0.03438 -0.01666 0.03248 62 THR Z O 3796 C CB . THR C 83 ? 0.29010 0.28949 0.19112 -0.01467 -0.00759 0.03100 62 THR Z CB 3797 O OG1 . THR C 83 ? 0.29243 0.30726 0.20042 0.02821 -0.00365 0.01564 62 THR Z OG1 3798 C CG2 . THR C 83 ? 0.31563 0.30357 0.22803 -0.00318 -0.04428 0.02983 62 THR Z CG2 3806 N N . ASP C 84 ? 0.28792 0.31090 0.16342 -0.02665 -0.00289 0.05763 63 ASP Z N 3807 C CA . ASP C 84 ? 0.27227 0.29031 0.14440 -0.02024 -0.01695 0.03646 63 ASP Z CA 3808 C C . ASP C 84 ? 0.25002 0.26703 0.16048 -0.00222 -0.03864 0.04167 63 ASP Z C 3809 O O . ASP C 84 ? 0.25932 0.27457 0.17896 -0.03367 -0.03637 0.04293 63 ASP Z O 3810 C CB . ASP C 84 ? 0.28682 0.31553 0.14721 -0.02383 -0.00921 0.03000 63 ASP Z CB 3811 C CG . ASP C 84 ? 0.26972 0.37228 0.16226 0.00901 -0.01025 0.01816 63 ASP Z CG 3812 O OD1 . ASP C 84 ? 0.24725 0.36614 0.15266 -0.00312 -0.02445 0.00619 63 ASP Z OD1 3813 O OD2 . ASP C 84 ? 0.31487 0.44124 0.19456 -0.02294 -0.00142 0.02847 63 ASP Z OD2 3818 N N . LYS C 85 ? 0.22742 0.26480 0.18715 -0.02535 -0.03395 0.03100 64 LYS Z N 3819 C CA . LYS C 85 ? 0.21437 0.23999 0.19496 -0.00972 -0.04738 0.04008 64 LYS Z CA 3820 C C . LYS C 85 ? 0.21382 0.24190 0.19410 0.00041 -0.02974 0.03908 64 LYS Z C 3821 O O . LYS C 85 ? 0.20755 0.23236 0.19368 -0.01250 0.00230 0.01424 64 LYS Z O 3822 C CB . LYS C 85 ? 0.22812 0.26036 0.20898 -0.03384 -0.02817 0.04574 64 LYS Z CB 3823 C CG . LYS C 85 ? 0.30192 0.35507 0.28540 -0.03397 0.00368 0.06439 64 LYS Z CG 3824 C CD . LYS C 85 ? 0.40837 0.46660 0.34972 -0.05675 0.04412 0.07644 64 LYS Z CD 3825 C CE . LYS C 85 ? 0.56413 0.59841 0.46301 -0.03825 0.03475 0.06789 64 LYS Z CE 3826 N NZ . LYS C 85 ? 0.56297 0.59917 0.46135 -0.03184 0.05124 0.06708 64 LYS Z NZ 3840 N N . CYS C 86 ? 0.23988 0.23075 0.20715 -0.00415 -0.04100 0.03878 65 CYS Z N 3841 C CA . CYS C 86 ? 0.19691 0.22377 0.20012 0.00264 -0.02602 0.01946 65 CYS Z CA 3842 C C . CYS C 86 ? 0.22149 0.18183 0.19000 -0.00809 -0.03126 0.00395 65 CYS Z C 3843 O O . CYS C 86 ? 0.23098 0.20731 0.18993 -0.01839 -0.04607 0.01089 65 CYS Z O 3844 C CB . CYS C 86 ? 0.20405 0.26925 0.21855 -0.01703 -0.02793 0.01988 65 CYS Z CB 3845 S SG . CYS C 86 ? 0.23799 0.28462 0.19762 -0.05808 -0.01377 0.01030 65 CYS Z SG 3850 N N . ASN C 87 ? 0.21537 0.19058 0.17992 -0.00425 -0.04086 0.02187 66 ASN Z N 3851 C CA . ASN C 87 ? 0.19354 0.23461 0.16893 -0.01353 -0.01682 0.01540 66 ASN Z CA 3852 C C . ASN C 87 ? 0.18628 0.22742 0.17615 0.00792 -0.02789 0.03308 66 ASN Z C 3853 O O . ASN C 87 ? 0.19241 0.22244 0.16434 -0.01108 0.00452 0.00592 66 ASN Z O 3854 C CB . ASN C 87 ? 0.18789 0.23717 0.18237 -0.02367 -0.02452 0.01990 66 ASN Z CB 3855 C CG . ASN C 87 ? 0.18161 0.23907 0.16497 -0.03962 -0.00985 0.01927 66 ASN Z CG 3856 O OD1 . ASN C 87 ? 0.18238 0.22475 0.15294 -0.03465 -0.01562 0.02803 66 ASN Z OD1 3857 N ND2 . ASN C 87 ? 0.18077 0.27335 0.17005 -0.04762 -0.00906 0.03052 66 ASN Z ND2 3864 N N . PRO C 88 ? 0.17895 0.24930 0.18100 -0.01048 -0.03058 0.01954 67 PRO Z N 3865 C CA . PRO C 88 ? 0.17136 0.25894 0.19149 0.00485 -0.03398 -0.00518 67 PRO Z CA 3866 C C . PRO C 88 ? 0.17399 0.26302 0.17782 -0.02298 -0.00408 -0.00941 67 PRO Z C 3867 O O . PRO C 88 ? 0.20201 0.28703 0.18213 -0.03507 -0.01024 0.00720 67 PRO Z O 3868 C CB . PRO C 88 ? 0.20884 0.27037 0.21216 0.01093 -0.03940 -0.01241 67 PRO Z CB 3869 C CG . PRO C 88 ? 0.19771 0.27581 0.20770 0.00302 -0.01641 -0.00965 67 PRO Z CG 3870 C CD . PRO C 88 ? 0.18695 0.25529 0.19709 -0.00384 -0.03156 0.03031 67 PRO Z CD 3878 N N . HIS C 89 ? 0.18694 0.24988 0.15451 -0.02141 -0.01939 -0.01496 68 HIS Z N 3879 C CA . HIS C 89 ? 0.19221 0.22498 0.14808 -0.00911 -0.01178 -0.01651 68 HIS Z CA 3880 C C . HIS C 89 ? 0.21307 0.25248 0.14231 -0.00675 -0.01687 -0.02140 68 HIS Z C 3881 O O . HIS C 89 ? 0.20960 0.23088 0.13991 -0.01593 -0.00331 0.00137 68 HIS Z O 3882 C CB . HIS C 89 ? 0.18681 0.23496 0.13104 0.00871 -0.01543 0.00236 68 HIS Z CB 3883 C CG . HIS C 89 ? 0.18845 0.23731 0.14398 -0.03001 -0.00911 -0.00431 68 HIS Z CG 3884 N ND1 . HIS C 89 ? 0.20588 0.26799 0.16829 -0.02311 -0.02230 -0.00278 68 HIS Z ND1 3885 C CD2 . HIS C 89 ? 0.23307 0.26735 0.15729 -0.02190 -0.00803 -0.00898 68 HIS Z CD2 3886 C CE1 . HIS C 89 ? 0.21560 0.27514 0.18991 -0.00736 -0.02361 -0.01500 68 HIS Z CE1 3887 N NE2 . HIS C 89 ? 0.23079 0.27424 0.15803 -0.02296 -0.00339 -0.02650 68 HIS Z NE2 3895 N N . PRO C 90 ? 0.19532 0.30634 0.13943 -0.00441 -0.00459 -0.00692 69 PRO Z N 3896 C CA . PRO C 90 ? 0.18723 0.33810 0.14252 -0.00065 0.00433 0.01248 69 PRO Z CA 3897 C C . PRO C 90 ? 0.18027 0.33469 0.16786 0.00225 -0.00679 0.00926 69 PRO Z C 3898 O O . PRO C 90 ? 0.21173 0.33952 0.24055 0.03540 0.00117 0.01245 69 PRO Z O 3899 C CB . PRO C 90 ? 0.20680 0.38481 0.14402 0.00074 -0.00926 0.00615 69 PRO Z CB 3900 C CG . PRO C 90 ? 0.24993 0.36644 0.14128 0.01374 -0.00360 0.00278 69 PRO Z CG 3901 C CD . PRO C 90 ? 0.22522 0.33512 0.12343 -0.00220 -0.01446 0.00136 69 PRO Z CD 3909 N N . LYS C 91 ? 0.19133 0.35794 0.15581 -0.01141 0.00944 0.02333 70 LYS Z N 3910 C CA . LYS C 91 ? 0.20099 0.35227 0.16969 0.00049 0.02105 0.02731 70 LYS Z CA 3911 C C . LYS C 91 ? 0.21042 0.36089 0.18199 -0.01028 0.01039 0.00712 70 LYS Z C 3912 O O . LYS C 91 ? 0.21726 0.43373 0.19882 -0.03188 0.03492 0.01414 70 LYS Z O 3913 C CB . LYS C 91 ? 0.21091 0.38335 0.20279 -0.01914 -0.01686 0.01225 70 LYS Z CB 3914 C CG . LYS C 91 ? 0.21607 0.41830 0.21043 -0.02422 -0.03245 0.00715 70 LYS Z CG 3915 C CD . LYS C 91 ? 0.24292 0.45701 0.27555 -0.00581 -0.05890 -0.03020 70 LYS Z CD 3916 C CE . LYS C 91 ? 0.27992 0.52299 0.30897 -0.00199 -0.01953 -0.04919 70 LYS Z CE 3917 N NZ . LYS C 91 ? 0.27130 0.50420 0.26000 0.00881 -0.00280 -0.03958 70 LYS Z NZ 3931 N N . GLN C 92 ? 0.19948 0.30149 0.17814 -0.01696 0.00639 -0.00809 71 GLN Z N 3932 C CA . GLN C 92 ? 0.19681 0.29519 0.19757 0.01467 0.01413 -0.00473 71 GLN Z CA 3933 C C . GLN C 92 ? 0.21145 0.30646 0.18644 0.01800 0.02220 0.01241 71 GLN Z C 3934 O O . GLN C 92 ? 0.22594 0.32689 0.19216 0.02194 0.00654 0.03401 71 GLN Z O 3935 C CB . GLN C 92 ? 0.20006 0.30087 0.20637 0.02208 0.01347 0.00758 71 GLN Z CB 3936 C CG . GLN C 92 ? 0.22721 0.31819 0.21454 -0.00871 0.01509 0.02879 71 GLN Z CG 3937 C CD . GLN C 92 ? 0.22794 0.33542 0.19709 -0.00439 0.01901 0.04988 71 GLN Z CD 3938 O OE1 . GLN C 92 ? 0.23259 0.37305 0.21426 -0.00378 0.01946 0.07744 71 GLN Z OE1 3939 N NE2 . GLN C 92 ? 0.25419 0.36010 0.20775 -0.00946 -0.00776 0.05869 71 GLN Z NE2 3948 N N . ARG C 93 ? 0.22861 0.30557 0.21394 -0.03714 0.00690 0.03020 72 ARG Z N 3949 C CA . ARG C 93 ? 0.24952 0.30187 0.23570 -0.03913 0.00729 0.04104 72 ARG Z CA 3950 C C . ARG C 93 ? 0.25220 0.32483 0.25036 -0.02843 0.01545 0.04638 72 ARG Z C 3951 O O . ARG C 93 ? 0.23495 0.35597 0.26665 -0.03991 0.03822 0.03577 72 ARG Z O 3952 C CB . ARG C 93 ? 0.27792 0.28728 0.25352 -0.03094 -0.00779 0.06020 72 ARG Z CB 3953 C CG . ARG C 93 ? 0.31005 0.34236 0.27643 -0.00397 -0.01918 0.08313 72 ARG Z CG 3954 C CD . ARG C 93 ? 0.37433 0.42569 0.32174 0.03185 -0.07367 0.08201 72 ARG Z CD 3955 N NE . ARG C 93 ? 0.43182 0.53006 0.41199 0.04617 -0.07799 0.07513 72 ARG Z NE 3956 C CZ . ARG C 93 ? 0.53451 0.66927 0.58807 0.05140 -0.07409 0.08066 72 ARG Z CZ 3957 N NH1 . ARG C 93 ? 0.84574 0.89515 0.79964 0.03912 -0.04364 0.06909 72 ARG Z NH1 3958 N NH2 . ARG C 93 ? 0.38660 0.60897 0.52888 0.11877 -0.10609 0.14096 72 ARG Z NH2 3972 N N . PRO C 94 ? 0.25990 0.33222 0.26151 -0.02272 0.03766 0.02630 73 PRO Z N 3973 C CA . PRO C 94 ? 0.28141 0.36142 0.29473 0.00243 0.06076 0.01416 73 PRO Z CA 3974 C C . PRO C 94 ? 0.29591 0.36370 0.34635 0.01076 0.03600 0.03406 73 PRO Z C 3975 O O . PRO C 94 ? 0.33150 0.36568 0.36820 0.00528 0.01369 0.03355 73 PRO Z O 3976 C CB . PRO C 94 ? 0.26537 0.36406 0.28926 -0.00007 0.05778 -0.02607 73 PRO Z CB 3977 C CG . PRO C 94 ? 0.30542 0.36970 0.29803 -0.03758 0.05246 -0.03631 73 PRO Z CG 3978 C CD . PRO C 94 ? 0.24984 0.35230 0.24446 -0.04033 0.05547 -0.02689 73 PRO Z CD 3986 N N . GLY C 95 ? 0.27537 0.35752 0.37965 0.03831 0.01945 0.04598 74 GLY Z N 3987 C CA . GLY C 95 ? 0.28750 0.40195 0.41795 0.05810 -0.01725 0.06974 74 GLY Z CA 3988 C C . GLY C 95 ? 0.31303 0.43613 0.41961 0.06027 -0.02994 0.11117 74 GLY Z C 3989 O O . GLY C 95 ? 0.34245 0.42355 0.43482 0.03805 -0.05262 0.11881 74 GLY Z O 3990 O OXT . GLY C 95 ? 0.35171 0.48306 0.41317 0.07253 0.01055 0.12840 74 GLY Z OXT 3994 N N . GLN D 2 ? 0.61898 1.05520 0.95514 0.12898 0.10057 -0.06009 1 GLN I N 3995 C CA . GLN D 2 ? 0.64775 1.03613 0.97841 0.13645 0.09848 -0.05966 1 GLN I CA 3996 C C . GLN D 2 ? 0.60264 0.96926 0.93319 0.12373 0.08368 -0.05015 1 GLN I C 3997 O O . GLN D 2 ? 0.69295 1.03423 0.96225 0.12925 0.08521 -0.05740 1 GLN I O 3998 C CB . GLN D 2 ? 0.77880 1.13989 1.05967 0.13781 0.09883 -0.07188 1 GLN I CB 3999 C CG . GLN D 2 ? 0.86071 1.19975 1.14784 0.13012 0.09749 -0.08113 1 GLN I CG 4000 C CD . GLN D 2 ? 0.96555 1.26472 1.19572 0.12960 0.09792 -0.08496 1 GLN I CD 4001 O OE1 . GLN D 2 ? 1.12262 1.39953 1.30141 0.12844 0.09351 -0.07808 1 GLN I OE1 4002 N NE2 . GLN D 2 ? 0.97875 1.26060 1.16879 0.13384 0.09752 -0.08972 1 GLN I NE2 4011 N N . VAL D 3 ? 0.55866 0.91996 0.84947 0.09872 0.06993 -0.03825 2 VAL I N 4012 C CA . VAL D 3 ? 0.50163 0.85236 0.75921 0.07765 0.05329 -0.02953 2 VAL I CA 4013 C C . VAL D 3 ? 0.36589 0.68394 0.62552 0.09834 0.03759 -0.01995 2 VAL I C 4014 O O . VAL D 3 ? 0.34723 0.63095 0.58134 0.10957 0.05280 -0.00436 2 VAL I O 4015 C CB . VAL D 3 ? 0.52752 0.90266 0.77752 0.04888 0.05408 -0.02937 2 VAL I CB 4016 C CG1 . VAL D 3 ? 0.54030 0.90789 0.77691 0.04748 0.07224 -0.03375 2 VAL I CG1 4017 C CG2 . VAL D 3 ? 0.53609 0.93423 0.79496 0.04047 0.03412 -0.02574 2 VAL I CG2 4027 N N . GLN D 4 ? 0.31527 0.59089 0.58586 0.10243 0.03137 -0.02351 3 GLN I N 4028 C CA . GLN D 4 ? 0.35205 0.54914 0.55423 0.08800 0.00184 -0.02352 3 GLN I CA 4029 C C . GLN D 4 ? 0.30553 0.40795 0.44067 0.06274 -0.03915 -0.03851 3 GLN I C 4030 O O . GLN D 4 ? 0.29408 0.39503 0.42487 0.07456 -0.05795 -0.06016 3 GLN I O 4031 C CB . GLN D 4 ? 0.50844 0.68452 0.67787 0.07065 0.01792 -0.02114 3 GLN I CB 4032 C CG . GLN D 4 ? 0.67476 0.79294 0.80241 0.09319 0.02780 -0.02642 3 GLN I CG 4033 C CD . GLN D 4 ? 0.72194 0.81476 0.85555 0.11149 0.03344 -0.03683 3 GLN I CD 4034 O OE1 . GLN D 4 ? 0.76433 0.83042 0.88007 0.12303 0.04010 -0.03712 3 GLN I OE1 4035 N NE2 . GLN D 4 ? 0.74552 0.81281 0.84834 0.11552 0.03040 -0.04242 3 GLN I NE2 4044 N N . LEU D 5 ? 0.26396 0.33627 0.38189 0.02135 -0.01751 -0.02343 4 LEU I N 4045 C CA . LEU D 5 ? 0.25621 0.31901 0.35353 0.00894 -0.02884 0.01916 4 LEU I CA 4046 C C . LEU D 5 ? 0.23655 0.29753 0.36261 -0.00818 -0.03458 0.03355 4 LEU I C 4047 O O . LEU D 5 ? 0.26219 0.31411 0.36303 -0.02112 -0.04077 0.03833 4 LEU I O 4048 C CB . LEU D 5 ? 0.25369 0.33727 0.33805 0.00329 -0.04120 0.03654 4 LEU I CB 4049 C CG . LEU D 5 ? 0.26745 0.35120 0.34925 -0.01447 -0.02043 0.04287 4 LEU I CG 4050 C CD1 . LEU D 5 ? 0.27647 0.34249 0.32607 -0.04591 -0.02069 0.05922 4 LEU I CD1 4051 C CD2 . LEU D 5 ? 0.27927 0.39295 0.36583 -0.03206 -0.03548 0.03437 4 LEU I CD2 4063 N N . VAL D 6 ? 0.26658 0.29807 0.37793 0.01499 0.01625 0.04949 5 VAL I N 4064 C CA . VAL D 6 ? 0.29078 0.29807 0.37116 0.02093 0.00915 0.04128 5 VAL I CA 4065 C C . VAL D 6 ? 0.30743 0.30082 0.36177 -0.00224 -0.01849 0.04278 5 VAL I C 4066 O O . VAL D 6 ? 0.32215 0.27349 0.38184 -0.00031 -0.01654 0.04693 5 VAL I O 4067 C CB . VAL D 6 ? 0.32856 0.31416 0.38996 0.02901 0.02363 0.03114 5 VAL I CB 4068 C CG1 . VAL D 6 ? 0.36843 0.30531 0.40221 0.03180 -0.00211 0.03029 5 VAL I CG1 4069 C CG2 . VAL D 6 ? 0.32612 0.34639 0.41476 0.01913 0.02613 0.03290 5 VAL I CG2 4079 N N . GLN D 7 ? 0.26398 0.28184 0.31416 -0.01007 -0.01651 0.02680 6 GLN I N 4080 C CA . GLN D 7 ? 0.27415 0.26161 0.27319 -0.03106 -0.01901 0.02594 6 GLN I CA 4081 C C . GLN D 7 ? 0.30859 0.22070 0.29885 -0.04511 0.00662 0.02763 6 GLN I C 4082 O O . GLN D 7 ? 0.33132 0.20117 0.32491 -0.04137 0.00731 0.01566 6 GLN I O 4083 C CB . GLN D 7 ? 0.28034 0.24314 0.24610 -0.04894 -0.02173 0.03898 6 GLN I CB 4084 C CG . GLN D 7 ? 0.28883 0.24400 0.24515 -0.05743 -0.01435 0.02747 6 GLN I CG 4085 C CD . GLN D 7 ? 0.24732 0.28889 0.23605 -0.02849 -0.01092 0.00472 6 GLN I CD 4086 O OE1 . GLN D 7 ? 0.25807 0.27562 0.23218 -0.02232 0.02555 -0.00594 6 GLN I OE1 4087 N NE2 . GLN D 7 ? 0.25778 0.34468 0.23380 -0.00889 0.01114 -0.03097 6 GLN I NE2 4096 N N . SER D 8 ? 0.30914 0.25210 0.27106 -0.03404 0.03527 0.02357 7 SER I N 4097 C CA . SER D 8 ? 0.31297 0.26613 0.29531 -0.05810 0.03262 0.02801 7 SER I CA 4098 C C . SER D 8 ? 0.31043 0.27133 0.28419 -0.05908 0.01434 0.04733 7 SER I C 4099 O O . SER D 8 ? 0.29369 0.28834 0.24455 -0.03731 0.02213 0.03253 7 SER I O 4100 C CB . SER D 8 ? 0.29394 0.27467 0.32410 -0.04668 0.02108 0.01947 7 SER I CB 4101 O OG . SER D 8 ? 0.28869 0.27930 0.33562 -0.02514 0.00766 0.02705 7 SER I OG 4107 N N . GLY D 9 ? 0.35320 0.27585 0.33115 -0.06473 -0.01559 0.04280 8 GLY I N 4108 C CA . GLY D 9 ? 0.34589 0.26225 0.35701 -0.02616 -0.00778 0.02003 8 GLY I CA 4109 C C . GLY D 9 ? 0.35236 0.28821 0.35690 -0.04910 -0.01532 -0.00492 8 GLY I C 4110 O O . GLY D 9 ? 0.31110 0.30080 0.33660 -0.06017 0.00832 0.00623 8 GLY I O 4114 N N . ALA D 10 ? 0.36214 0.29932 0.37580 -0.05268 0.00224 -0.02573 9 ALA I N 4115 C CA . ALA D 10 ? 0.33183 0.30098 0.34463 -0.07903 0.02555 -0.00913 9 ALA I CA 4116 C C . ALA D 10 ? 0.33057 0.31727 0.32671 -0.04359 0.04856 0.02594 9 ALA I C 4117 O O . ALA D 10 ? 0.32987 0.34640 0.36154 -0.01068 0.04518 0.05859 9 ALA I O 4118 C CB . ALA D 10 ? 0.34073 0.30472 0.35352 -0.09526 0.05783 -0.00463 9 ALA I CB 4124 N N . GLU D 11 ? 0.36526 0.31920 0.32254 -0.03234 0.08535 0.01867 10 GLU I N 4125 C CA . GLU D 11 ? 0.36725 0.36023 0.34155 -0.02195 0.10062 0.04094 10 GLU I CA 4126 C C . GLU D 11 ? 0.31669 0.33228 0.33008 -0.00916 0.08373 0.05162 10 GLU I C 4127 O O . GLU D 11 ? 0.28514 0.31430 0.33352 -0.01793 0.05797 0.04357 10 GLU I O 4128 C CB . GLU D 11 ? 0.43981 0.44315 0.40703 -0.03243 0.06795 0.03511 10 GLU I CB 4129 C CG . GLU D 11 ? 0.54648 0.51457 0.49126 -0.03283 0.03312 0.02965 10 GLU I CG 4130 C CD . GLU D 11 ? 0.62628 0.57177 0.53439 -0.03380 0.01370 0.05023 10 GLU I CD 4131 O OE1 . GLU D 11 ? 0.70782 0.64216 0.61765 -0.03158 0.03987 0.05225 10 GLU I OE1 4132 O OE2 . GLU D 11 ? 0.64387 0.58556 0.55319 -0.04656 -0.01254 0.06725 10 GLU I OE2 4139 N N . VAL D 12 ? 0.32012 0.33650 0.32297 0.00408 0.08869 0.06870 11 VAL I N 4140 C CA . VAL D 12 ? 0.30458 0.33708 0.31686 -0.01108 0.08317 0.05090 11 VAL I CA 4141 C C . VAL D 12 ? 0.30973 0.35724 0.27726 -0.01383 0.08778 0.05127 11 VAL I C 4142 O O . VAL D 12 ? 0.32014 0.39836 0.27532 -0.00308 0.09099 0.04770 11 VAL I O 4143 C CB . VAL D 12 ? 0.32153 0.34239 0.33357 -0.04125 0.06397 0.03851 11 VAL I CB 4144 C CG1 . VAL D 12 ? 0.33099 0.35256 0.34390 -0.07392 0.05395 0.01376 11 VAL I CG1 4145 C CG2 . VAL D 12 ? 0.34422 0.34834 0.35960 -0.05019 0.06888 0.04664 11 VAL I CG2 4155 N N . LYS D 13 ? 0.27892 0.31225 0.25051 -0.00689 0.06906 0.04031 12 LYS I N 4156 C CA . LYS D 13 ? 0.28098 0.33889 0.25962 0.00284 0.05094 0.04421 12 LYS I CA 4157 C C . LYS D 13 ? 0.28684 0.34926 0.24842 -0.00445 0.03343 0.02042 12 LYS I C 4158 O O . LYS D 13 ? 0.29989 0.33230 0.24635 -0.01174 0.03287 0.03135 12 LYS I O 4159 C CB . LYS D 13 ? 0.31433 0.37535 0.28185 -0.01537 0.04735 0.08575 12 LYS I CB 4160 C CG . LYS D 13 ? 0.35676 0.40913 0.30264 -0.02440 0.03487 0.09544 12 LYS I CG 4161 C CD . LYS D 13 ? 0.42970 0.45706 0.35882 -0.03891 0.02597 0.07886 12 LYS I CD 4162 C CE . LYS D 13 ? 0.49890 0.47257 0.37144 -0.04149 -0.00729 0.06089 12 LYS I CE 4163 N NZ . LYS D 13 ? 0.54908 0.53390 0.42725 -0.02546 -0.01263 0.06419 12 LYS I NZ 4177 N N . LYS D 14 ? 0.28715 0.38162 0.24638 -0.03631 0.06586 -0.00549 13 LYS I N 4178 C CA . LYS D 14 ? 0.32743 0.43409 0.29499 -0.05129 0.11159 -0.02159 13 LYS I CA 4179 C C . LYS D 14 ? 0.29462 0.42410 0.26333 -0.03033 0.07467 -0.02899 13 LYS I C 4180 O O . LYS D 14 ? 0.29097 0.40349 0.25629 -0.02904 0.06579 -0.03564 13 LYS I O 4181 C CB . LYS D 14 ? 0.45485 0.55418 0.40708 -0.06066 0.15491 -0.01848 13 LYS I CB 4182 C CG . LYS D 14 ? 0.56825 0.69401 0.51890 -0.05935 0.15573 0.00998 13 LYS I CG 4183 C CD . LYS D 14 ? 0.66964 0.81486 0.64478 -0.06199 0.14507 0.02576 13 LYS I CD 4184 C CE . LYS D 14 ? 0.72829 0.86626 0.64918 -0.06717 0.14713 0.02984 13 LYS I CE 4185 N NZ . LYS D 14 ? 0.78560 0.91993 0.69328 -0.06163 0.14880 0.02250 13 LYS I NZ 4199 N N . PRO D 15 ? 0.27233 0.42731 0.27279 -0.02762 0.02602 -0.04660 14 PRO I N 4200 C CA . PRO D 15 ? 0.26365 0.41690 0.28058 -0.05121 0.03840 -0.05460 14 PRO I CA 4201 C C . PRO D 15 ? 0.29166 0.41846 0.25058 -0.05820 0.05217 -0.05974 14 PRO I C 4202 O O . PRO D 15 ? 0.31251 0.41778 0.25293 -0.06215 0.07835 -0.05507 14 PRO I O 4203 C CB . PRO D 15 ? 0.28713 0.42073 0.29304 -0.02338 0.02917 -0.05743 14 PRO I CB 4204 C CG . PRO D 15 ? 0.29715 0.44282 0.31647 0.01952 0.02137 -0.04657 14 PRO I CG 4205 C CD . PRO D 15 ? 0.28110 0.42826 0.27266 0.00195 0.02927 -0.04929 14 PRO I CD 4213 N N . GLY D 16 ? 0.28051 0.41336 0.23329 -0.04840 0.04846 -0.05423 15 GLY I N 4214 C CA . GLY D 16 ? 0.31336 0.39643 0.25949 -0.04265 0.03218 -0.04005 15 GLY I CA 4215 C C . GLY D 16 ? 0.32415 0.40024 0.23936 -0.04548 0.01146 -0.04296 15 GLY I C 4216 O O . GLY D 16 ? 0.32633 0.43033 0.23552 -0.04781 0.01568 -0.06035 15 GLY I O 4220 N N . SER D 17 ? 0.33812 0.39009 0.23711 -0.02080 0.02934 -0.02594 16 SER I N 4221 C CA . SER D 17 ? 0.32187 0.39477 0.23884 -0.02895 0.04707 -0.01834 16 SER I CA 4222 C C . SER D 17 ? 0.30333 0.38636 0.22274 -0.05416 0.03797 -0.02087 16 SER I C 4223 O O . SER D 17 ? 0.28816 0.39737 0.21228 -0.04415 0.01448 -0.00663 16 SER I O 4224 C CB . SER D 17 ? 0.33144 0.41197 0.28133 -0.00873 0.07694 -0.03791 16 SER I CB 4225 O OG . SER D 17 ? 0.33780 0.41592 0.34364 0.00407 0.06664 -0.04614 16 SER I OG 4231 N N . SER D 18 ? 0.29303 0.36356 0.22874 -0.06809 0.03101 -0.03442 17 SER I N 4232 C CA . SER D 18 ? 0.29513 0.33028 0.22690 -0.07519 0.02835 -0.02849 17 SER I CA 4233 C C . SER D 18 ? 0.29954 0.30069 0.23406 -0.08231 0.03129 0.01937 17 SER I C 4234 O O . SER D 18 ? 0.33552 0.29444 0.24367 -0.05815 0.04674 0.01339 17 SER I O 4235 C CB . SER D 18 ? 0.34025 0.34969 0.26197 -0.08132 0.02005 -0.05517 17 SER I CB 4236 O OG . SER D 18 ? 0.39552 0.41686 0.28120 -0.07392 0.01411 -0.04993 17 SER I OG 4242 N N . VAL D 19 ? 0.26378 0.27270 0.22889 -0.04678 0.01740 0.02311 18 VAL I N 4243 C CA . VAL D 19 ? 0.26921 0.27730 0.23218 -0.03037 0.00469 0.02707 18 VAL I CA 4244 C C . VAL D 19 ? 0.27129 0.27960 0.22915 -0.05407 0.02238 0.02898 18 VAL I C 4245 O O . VAL D 19 ? 0.27116 0.29443 0.23047 -0.06795 -0.00218 0.02998 18 VAL I O 4246 C CB . VAL D 19 ? 0.27687 0.30903 0.24723 -0.03974 0.00232 0.00346 18 VAL I CB 4247 C CG1 . VAL D 19 ? 0.28994 0.34643 0.20994 -0.03692 0.01741 0.02948 18 VAL I CG1 4248 C CG2 . VAL D 19 ? 0.30598 0.30973 0.28083 -0.04252 -0.01665 -0.01559 18 VAL I CG2 4258 N N . LYS D 20 ? 0.28331 0.27823 0.22659 -0.05600 0.02071 0.03101 19 LYS I N 4259 C CA . LYS D 20 ? 0.28345 0.27283 0.22370 -0.06527 0.00427 0.03801 19 LYS I CA 4260 C C . LYS D 20 ? 0.30672 0.25031 0.22319 -0.05651 0.02316 0.04637 19 LYS I C 4261 O O . LYS D 20 ? 0.37153 0.30321 0.23752 -0.05971 0.01535 0.04344 19 LYS I O 4262 C CB . LYS D 20 ? 0.32582 0.29820 0.21040 -0.06839 -0.00339 0.05535 19 LYS I CB 4263 C CG . LYS D 20 ? 0.32588 0.32804 0.20685 -0.06444 -0.01880 0.05163 19 LYS I CG 4264 C CD . LYS D 20 ? 0.34233 0.35969 0.23461 -0.06152 -0.04389 0.04190 19 LYS I CD 4265 C CE . LYS D 20 ? 0.31627 0.38042 0.25282 -0.06994 -0.03664 0.03248 19 LYS I CE 4266 N NZ . LYS D 20 ? 0.32828 0.38240 0.25343 -0.06373 -0.01742 0.01124 19 LYS I NZ 4280 N N . VAL D 21 ? 0.27381 0.23727 0.22816 -0.04027 0.02212 0.02793 20 VAL I N 4281 C CA . VAL D 21 ? 0.25897 0.25396 0.24474 -0.03928 0.00504 0.00118 20 VAL I CA 4282 C C . VAL D 21 ? 0.30400 0.25035 0.24547 -0.04677 0.00148 0.00742 20 VAL I C 4283 O O . VAL D 21 ? 0.31938 0.26558 0.23173 -0.04068 -0.02627 0.00140 20 VAL I O 4284 C CB . VAL D 21 ? 0.25294 0.27285 0.23778 -0.03770 -0.01467 -0.02589 20 VAL I CB 4285 C CG1 . VAL D 21 ? 0.30691 0.26818 0.24421 -0.02803 -0.02170 -0.03590 20 VAL I CG1 4286 C CG2 . VAL D 21 ? 0.26142 0.31369 0.26201 -0.04599 -0.01492 -0.02370 20 VAL I CG2 4296 N N . SER D 22 ? 0.31152 0.29267 0.26090 -0.02651 -0.00878 0.00844 21 SER I N 4297 C CA . SER D 22 ? 0.31122 0.32039 0.28062 -0.01634 -0.01821 0.02604 21 SER I CA 4298 C C . SER D 22 ? 0.29902 0.31579 0.25964 -0.02504 -0.03308 0.02425 21 SER I C 4299 O O . SER D 22 ? 0.28208 0.33339 0.26630 -0.04024 -0.01304 0.02549 21 SER I O 4300 C CB . SER D 22 ? 0.32478 0.31298 0.30659 -0.00750 -0.00818 0.04848 21 SER I CB 4301 O OG . SER D 22 ? 0.33770 0.31095 0.32586 -0.00630 0.00382 0.05899 21 SER I OG 4307 N N . CYS D 23 ? 0.29225 0.30488 0.24980 0.00988 -0.02894 0.00917 22 CYS I N 4308 C CA . CYS D 23 ? 0.27775 0.32921 0.26453 0.03773 -0.02646 0.00289 22 CYS I CA 4309 C C . CYS D 23 ? 0.27279 0.34369 0.29355 0.02305 -0.03039 0.03268 22 CYS I C 4310 O O . CYS D 23 ? 0.25958 0.33675 0.30752 0.01037 -0.06755 0.05192 22 CYS I O 4311 C CB . CYS D 23 ? 0.25193 0.35730 0.24447 0.02074 -0.00063 -0.01046 22 CYS I CB 4312 S SG . CYS D 23 ? 0.27532 0.38895 0.28844 -0.00951 -0.01522 0.02456 22 CYS I SG 4317 N N . LYS D 24 ? 0.28914 0.34413 0.30661 0.01961 -0.03798 0.02755 23 LYS I N 4318 C CA . LYS D 24 ? 0.32192 0.41896 0.39413 0.01442 -0.05358 0.04238 23 LYS I CA 4319 C C . LYS D 24 ? 0.31274 0.40708 0.38782 0.01419 -0.05094 0.00799 23 LYS I C 4320 O O . LYS D 24 ? 0.29478 0.39839 0.35468 -0.00136 -0.03285 -0.01435 23 LYS I O 4321 C CB . LYS D 24 ? 0.37842 0.53235 0.48735 0.03794 -0.06832 0.08120 23 LYS I CB 4322 C CG . LYS D 24 ? 0.46401 0.64506 0.57898 0.06113 -0.07378 0.07161 23 LYS I CG 4323 C CD . LYS D 24 ? 0.54304 0.74038 0.66206 0.08173 -0.08107 0.04777 23 LYS I CD 4324 C CE . LYS D 24 ? 0.65306 0.87422 0.76637 0.09672 -0.08369 0.04613 23 LYS I CE 4325 N NZ . LYS D 24 ? 0.65691 0.88881 0.76360 0.10404 -0.08620 0.04698 23 LYS I NZ 4339 N N . ALA D 25 ? 0.29969 0.47065 0.43500 0.02882 -0.05355 0.00495 24 ALA I N 4340 C CA . ALA D 25 ? 0.31366 0.54582 0.47650 0.05397 -0.05709 -0.01092 24 ALA I CA 4341 C C . ALA D 25 ? 0.35076 0.63629 0.56544 0.12527 -0.08710 -0.00614 24 ALA I C 4342 O O . ALA D 25 ? 0.33563 0.60858 0.45552 0.14221 -0.09767 -0.00431 24 ALA I O 4343 C CB . ALA D 25 ? 0.34289 0.60747 0.51967 0.03278 -0.03062 -0.02038 24 ALA I CB 4349 N N . SER D 26 ? 0.43738 0.69534 0.69840 0.15865 -0.07600 -0.00740 25 SER I N 4350 C CA . SER D 26 ? 0.61171 0.76282 0.82689 0.17498 -0.08223 0.01059 25 SER I CA 4351 C C . SER D 26 ? 0.74340 0.76410 0.96833 0.21644 -0.08382 0.00173 25 SER I C 4352 O O . SER D 26 ? 0.61639 0.77730 0.93317 0.27481 -0.06195 -0.01173 25 SER I O 4353 C CB . SER D 26 ? 0.62460 0.81792 0.85557 0.14816 -0.05379 0.01665 25 SER I CB 4354 O OG . SER D 26 ? 0.68886 0.87591 0.87468 0.14426 -0.03043 0.00946 25 SER I OG 4360 N N . GLY D 27 ? 0.99194 0.76265 1.12431 0.20366 -0.11795 0.01376 26 GLY I N 4361 C CA . GLY D 27 ? 0.98925 0.76733 1.14741 0.22604 -0.16607 0.01411 26 GLY I CA 4362 C C . GLY D 27 ? 0.97473 0.75194 1.17822 0.25455 -0.22912 0.01505 26 GLY I C 4363 O O . GLY D 27 ? 0.95579 0.69010 1.15939 0.27104 -0.25433 0.01442 26 GLY I O 4367 N N . GLY D 28 ? 0.97266 0.77265 1.17002 0.24730 -0.23846 0.01805 27 GLY I N 4368 C CA . GLY D 28 ? 1.00426 0.83697 1.19615 0.21417 -0.23409 0.02696 27 GLY I CA 4369 C C . GLY D 28 ? 1.04331 0.85619 1.15715 0.18933 -0.22963 0.04181 27 GLY I C 4370 O O . GLY D 28 ? 1.10982 0.90504 1.25982 0.19868 -0.22558 0.03508 27 GLY I O 4374 N N . THR D 29 ? 0.98704 0.84066 1.11508 0.16418 -0.23003 0.05697 28 THR I N 4375 C CA . THR D 29 ? 0.90187 0.79914 1.01303 0.14491 -0.23091 0.07221 28 THR I CA 4376 C C . THR D 29 ? 0.76233 0.72351 0.89633 0.10904 -0.20371 0.06803 28 THR I C 4377 O O . THR D 29 ? 0.76166 0.71254 0.89923 0.12684 -0.20649 0.06176 28 THR I O 4378 C CB . THR D 29 ? 0.84485 0.78329 0.99979 0.15935 -0.25625 0.09886 28 THR I CB 4379 O OG1 . THR D 29 ? 0.84027 0.80549 1.00821 0.16262 -0.28150 0.13489 28 THR I OG1 4380 C CG2 . THR D 29 ? 0.85455 0.79095 0.94141 0.16071 -0.24573 0.09220 28 THR I CG2 4388 N N . PHE D 30 ? 0.65459 0.67946 0.80745 0.04858 -0.16661 0.07050 29 PHE I N 4389 C CA . PHE D 30 ? 0.55458 0.57501 0.65993 0.00949 -0.13361 0.06916 29 PHE I CA 4390 C C . PHE D 30 ? 0.42362 0.51480 0.52910 0.00509 -0.13665 0.09100 29 PHE I C 4391 O O . PHE D 30 ? 0.38569 0.45787 0.50358 -0.01351 -0.15116 0.10634 29 PHE I O 4392 C CB . PHE D 30 ? 0.60378 0.54669 0.63989 -0.00782 -0.11050 0.06198 29 PHE I CB 4393 C CG . PHE D 30 ? 0.60505 0.50723 0.64890 -0.02044 -0.10415 0.08105 29 PHE I CG 4394 C CD1 . PHE D 30 ? 0.63062 0.51522 0.68383 -0.03948 -0.09730 0.11439 29 PHE I CD1 4395 C CD2 . PHE D 30 ? 0.62055 0.50259 0.68409 -0.02343 -0.09651 0.07550 29 PHE I CD2 4396 C CE1 . PHE D 30 ? 0.63961 0.49900 0.66354 -0.04480 -0.10495 0.11487 29 PHE I CE1 4397 C CE2 . PHE D 30 ? 0.61519 0.47603 0.67247 -0.03432 -0.09635 0.08104 29 PHE I CE2 4398 C CZ . PHE D 30 ? 0.62365 0.49050 0.68314 -0.02844 -0.09934 0.09199 29 PHE I CZ 4408 N N . SER D 31 ? 0.35949 0.52045 0.47716 0.00600 -0.13997 0.07845 30 SER I N 4409 C CA . SER D 31 ? 0.42089 0.57135 0.50638 0.02426 -0.15669 0.02900 30 SER I CA 4410 C C . SER D 31 ? 0.34228 0.51128 0.40702 -0.01548 -0.12942 0.00015 30 SER I C 4411 O O . SER D 31 ? 0.31879 0.51146 0.38787 -0.05658 -0.10701 -0.01679 30 SER I O 4412 C CB . SER D 31 ? 0.53018 0.66914 0.61583 0.07029 -0.16347 0.01150 30 SER I CB 4413 O OG . SER D 31 ? 0.61458 0.78822 0.75446 0.07860 -0.12814 -0.00217 30 SER I OG 4419 N N . SER D 32 ? 0.30594 0.48025 0.34320 -0.01331 -0.12396 -0.02557 31 SER I N 4420 C CA . SER D 32 ? 0.21886 0.43929 0.26638 -0.02632 -0.09397 -0.03319 31 SER I CA 4421 C C . SER D 32 ? 0.20079 0.37055 0.23447 -0.01292 -0.05810 -0.02182 31 SER I C 4422 O O . SER D 32 ? 0.24253 0.39559 0.24166 -0.02255 -0.02872 0.00704 31 SER I O 4423 C CB . SER D 32 ? 0.21123 0.46977 0.29977 -0.05857 -0.06311 -0.01335 31 SER I CB 4424 O OG . SER D 32 ? 0.24764 0.50982 0.32501 -0.03142 -0.03827 -0.00317 31 SER I OG 4430 N N . TYR D 33 ? 0.18867 0.34068 0.21932 -0.00416 -0.03514 -0.03626 32 TYR I N 4431 C CA . TYR D 33 ? 0.20230 0.32146 0.22129 0.03494 -0.02260 -0.02336 32 TYR I CA 4432 C C . TYR D 33 ? 0.18297 0.35249 0.21814 0.01364 0.00360 0.01579 32 TYR I C 4433 O O . TYR D 33 ? 0.25293 0.42008 0.25720 0.02318 0.02628 0.04172 32 TYR I O 4434 C CB . TYR D 33 ? 0.23161 0.33989 0.28944 0.06092 -0.04497 -0.07163 32 TYR I CB 4435 C CG . TYR D 33 ? 0.24896 0.38498 0.34113 0.09100 -0.07888 -0.11261 32 TYR I CG 4436 C CD1 . TYR D 33 ? 0.33231 0.45484 0.41314 0.12261 -0.07039 -0.12302 32 TYR I CD1 4437 C CD2 . TYR D 33 ? 0.27808 0.41156 0.38366 0.09365 -0.10847 -0.11491 32 TYR I CD2 4438 C CE1 . TYR D 33 ? 0.34715 0.49517 0.43678 0.15038 -0.09437 -0.12511 32 TYR I CE1 4439 C CE2 . TYR D 33 ? 0.32244 0.46206 0.42311 0.11220 -0.11006 -0.11863 32 TYR I CE2 4440 C CZ . TYR D 33 ? 0.36985 0.51239 0.48728 0.13628 -0.08312 -0.13089 32 TYR I CZ 4441 O OH . TYR D 33 ? 0.40496 0.55566 0.56429 0.13810 -0.07317 -0.15545 32 TYR I OH 4451 N N . ALA D 34 ? 0.14854 0.30063 0.19410 -0.02246 -0.03815 0.02060 33 ALA I N 4452 C CA . ALA D 34 ? 0.17680 0.28509 0.21935 -0.01646 -0.03178 0.01757 33 ALA I CA 4453 C C . ALA D 34 ? 0.18772 0.27608 0.21660 -0.01413 -0.02934 -0.01095 33 ALA I C 4454 O O . ALA D 34 ? 0.22709 0.24518 0.20157 -0.03109 -0.03489 -0.02311 33 ALA I O 4455 C CB . ALA D 34 ? 0.21203 0.27798 0.26990 -0.01170 -0.01455 0.01326 33 ALA I CB 4461 N N . ILE D 35 ? 0.16737 0.28749 0.18952 -0.02501 -0.00426 0.01216 34 ILE I N 4462 C CA . ILE D 35 ? 0.17076 0.28339 0.19716 -0.03345 -0.03085 0.02399 34 ILE I CA 4463 C C . ILE D 35 ? 0.18090 0.26276 0.20373 -0.03881 -0.04958 0.01188 34 ILE I C 4464 O O . ILE D 35 ? 0.20743 0.25606 0.22278 -0.03257 -0.03863 -0.00671 34 ILE I O 4465 C CB . ILE D 35 ? 0.21114 0.27471 0.26322 -0.02426 -0.02087 0.06573 34 ILE I CB 4466 C CG1 . ILE D 35 ? 0.29001 0.31427 0.27160 -0.00133 -0.03781 0.06614 34 ILE I CG1 4467 C CG2 . ILE D 35 ? 0.26782 0.29611 0.31272 -0.05060 -0.01828 0.06307 34 ILE I CG2 4468 C CD1 . ILE D 35 ? 0.35970 0.33328 0.27006 0.01513 -0.05965 0.05432 34 ILE I CD1 4480 N N . SER D 36 ? 0.16001 0.26860 0.20401 -0.01108 -0.02377 0.00522 35 SER I N 4481 C CA . SER D 36 ? 0.17574 0.25220 0.19939 -0.03813 -0.00559 0.01658 35 SER I CA 4482 C C . SER D 36 ? 0.19132 0.20331 0.19018 -0.02126 -0.00679 -0.00799 35 SER I C 4483 O O . SER D 36 ? 0.22489 0.19413 0.20531 -0.02850 -0.00088 -0.01286 35 SER I O 4484 C CB . SER D 36 ? 0.21952 0.23751 0.21341 -0.03286 -0.01845 0.03650 35 SER I CB 4485 O OG . SER D 36 ? 0.21159 0.22547 0.20085 -0.00211 0.00873 0.03933 35 SER I OG 4491 N N . TRP D 37 ? 0.19024 0.22684 0.16977 -0.03691 -0.00760 -0.02384 36 TRP I N 4492 C CA . TRP D 37 ? 0.21069 0.21191 0.16174 -0.04810 -0.01064 -0.02887 36 TRP I CA 4493 C C . TRP D 37 ? 0.18924 0.19843 0.16531 -0.03252 -0.01038 -0.02016 36 TRP I C 4494 O O . TRP D 37 ? 0.22346 0.22961 0.15166 -0.03489 -0.03073 -0.01921 36 TRP I O 4495 C CB . TRP D 37 ? 0.24098 0.25230 0.16638 -0.01918 -0.01925 -0.01223 36 TRP I CB 4496 C CG . TRP D 37 ? 0.21621 0.25864 0.15997 -0.01416 -0.01127 0.01187 36 TRP I CG 4497 C CD1 . TRP D 37 ? 0.24028 0.28243 0.18636 0.01865 -0.00785 0.00751 36 TRP I CD1 4498 C CD2 . TRP D 37 ? 0.22702 0.25676 0.15294 -0.03203 -0.00950 0.01411 36 TRP I CD2 4499 N NE1 . TRP D 37 ? 0.23216 0.30185 0.17823 -0.00484 -0.01647 0.01982 36 TRP I NE1 4500 C CE2 . TRP D 37 ? 0.24008 0.29673 0.17194 -0.02437 -0.00986 0.02890 36 TRP I CE2 4501 C CE3 . TRP D 37 ? 0.25053 0.25234 0.17879 -0.07761 0.00694 0.04915 36 TRP I CE3 4502 C CZ2 . TRP D 37 ? 0.27507 0.32161 0.18642 -0.04035 -0.00126 0.02196 36 TRP I CZ2 4503 C CZ3 . TRP D 37 ? 0.27580 0.29459 0.19868 -0.07511 0.02068 0.04967 36 TRP I CZ3 4504 C CH2 . TRP D 37 ? 0.26536 0.31872 0.20332 -0.06296 0.01326 0.04259 36 TRP I CH2 4515 N N . VAL D 38 ? 0.19525 0.24101 0.17098 -0.02722 -0.02525 -0.00359 37 VAL I N 4516 C CA . VAL D 38 ? 0.18751 0.25360 0.15607 -0.03272 -0.03448 -0.04271 37 VAL I CA 4517 C C . VAL D 38 ? 0.24261 0.30751 0.18857 -0.07222 -0.02776 -0.03538 37 VAL I C 4518 O O . VAL D 38 ? 0.29007 0.30560 0.22560 -0.08250 -0.02391 -0.01422 37 VAL I O 4519 C CB . VAL D 38 ? 0.20461 0.27935 0.15904 -0.03726 -0.03273 -0.03785 37 VAL I CB 4520 C CG1 . VAL D 38 ? 0.24875 0.29157 0.16246 -0.05438 -0.02875 -0.05001 37 VAL I CG1 4521 C CG2 . VAL D 38 ? 0.20087 0.27201 0.18903 -0.02568 -0.03793 -0.02930 37 VAL I CG2 4531 N N A ARG D 39 ? 0.26003 0.35881 0.17135 -0.07807 -0.01013 -0.03220 38 ARG I N 4532 N N B ARG D 39 ? 0.24280 0.34248 0.18902 -0.06357 -0.01408 -0.03733 38 ARG I N 4533 C CA A ARG D 39 ? 0.25019 0.37051 0.16678 -0.06655 -0.00812 -0.06072 38 ARG I CA 4534 C CA B ARG D 39 ? 0.23997 0.36594 0.19213 -0.04907 -0.01031 -0.05569 38 ARG I CA 4535 C C A ARG D 39 ? 0.23070 0.36822 0.17850 -0.04794 -0.01476 -0.04168 38 ARG I C 4536 C C B ARG D 39 ? 0.23137 0.35575 0.17794 -0.03550 -0.01881 -0.05071 38 ARG I C 4537 O O A ARG D 39 ? 0.20088 0.34081 0.19360 -0.02405 -0.01004 -0.01267 38 ARG I O 4538 O O B ARG D 39 ? 0.23727 0.33336 0.17823 -0.02466 -0.01615 -0.05222 38 ARG I O 4539 C CB A ARG D 39 ? 0.26937 0.38217 0.19406 -0.01147 0.01927 -0.06656 38 ARG I CB 4540 C CB B ARG D 39 ? 0.25282 0.38899 0.21093 -0.02367 -0.00028 -0.06094 38 ARG I CB 4541 C CG A ARG D 39 ? 0.25339 0.34436 0.17942 0.06902 0.02664 -0.03174 38 ARG I CG 4542 C CG B ARG D 39 ? 0.24644 0.37918 0.20754 0.00420 -0.00629 -0.05068 38 ARG I CG 4543 C CD A ARG D 39 ? 0.21474 0.36401 0.19352 0.04248 0.03362 0.02733 38 ARG I CD 4544 C CD B ARG D 39 ? 0.22248 0.40035 0.22164 0.00039 -0.00618 -0.04591 38 ARG I CD 4545 N NE A ARG D 39 ? 0.16054 0.36641 0.20262 0.04024 0.02060 0.03139 38 ARG I NE 4546 N NE B ARG D 39 ? 0.22829 0.43090 0.22337 0.00554 -0.00521 -0.04998 38 ARG I NE 4547 C CZ A ARG D 39 ? 0.18943 0.37076 0.22215 0.05399 -0.00308 0.03713 38 ARG I CZ 4548 C CZ B ARG D 39 ? 0.23259 0.45322 0.23648 0.01409 0.00609 -0.04483 38 ARG I CZ 4549 N NH1 A ARG D 39 ? 0.18314 0.31994 0.22968 0.03666 -0.03361 0.04714 38 ARG I NH1 4550 N NH1 B ARG D 39 ? 0.22871 0.45524 0.24872 0.02460 0.02524 -0.02802 38 ARG I NH1 4551 N NH2 A ARG D 39 ? 0.25846 0.42263 0.24146 0.03299 0.02892 0.02540 38 ARG I NH2 4552 N NH2 B ARG D 39 ? 0.20724 0.45879 0.24130 0.01285 0.01353 -0.07170 38 ARG I NH2 4579 N N . GLN D 40 ? 0.21799 0.35777 0.16580 -0.02002 -0.02161 -0.04720 39 GLN I N 4580 C CA . GLN D 40 ? 0.21207 0.37806 0.17243 -0.00492 -0.02648 -0.05852 39 GLN I CA 4581 C C . GLN D 40 ? 0.18149 0.41069 0.18557 -0.02730 0.00018 -0.04398 39 GLN I C 4582 O O . GLN D 40 ? 0.18508 0.40711 0.19384 -0.05294 -0.01009 -0.04822 39 GLN I O 4583 C CB . GLN D 40 ? 0.20546 0.39541 0.14820 0.01948 -0.01747 -0.05873 39 GLN I CB 4584 C CG . GLN D 40 ? 0.19977 0.38634 0.15831 -0.00231 -0.01232 -0.06371 39 GLN I CG 4585 C CD . GLN D 40 ? 0.20077 0.36908 0.16645 -0.00755 -0.01676 -0.03582 39 GLN I CD 4586 O OE1 . GLN D 40 ? 0.25281 0.38580 0.19037 0.01781 -0.00992 -0.01020 39 GLN I OE1 4587 N NE2 . GLN D 40 ? 0.21761 0.37164 0.17849 -0.04863 -0.00917 -0.03932 39 GLN I NE2 4596 N N . ALA D 41 ? 0.17294 0.46225 0.21283 -0.02163 0.00204 -0.02030 40 ALA I N 4597 C CA . ALA D 41 ? 0.17175 0.50266 0.24236 -0.01192 0.00374 -0.01945 40 ALA I CA 4598 C C . ALA D 41 ? 0.20720 0.56407 0.24596 -0.03915 -0.02167 -0.04122 40 ALA I C 4599 O O . ALA D 41 ? 0.19839 0.54926 0.22658 -0.04217 -0.03140 -0.04018 40 ALA I O 4600 C CB . ALA D 41 ? 0.23677 0.51211 0.26627 0.01089 0.03453 -0.00941 40 ALA I CB 4606 N N . PRO D 42 ? 0.25152 0.61616 0.28223 -0.09329 -0.03892 -0.05508 41 PRO I N 4607 C CA . PRO D 42 ? 0.27250 0.63042 0.29593 -0.09295 -0.04818 -0.05321 41 PRO I CA 4608 C C . PRO D 42 ? 0.27872 0.65024 0.29560 -0.07602 -0.03888 -0.05903 41 PRO I C 4609 O O . PRO D 42 ? 0.27329 0.64036 0.31754 -0.03791 -0.02527 -0.04930 41 PRO I O 4610 C CB . PRO D 42 ? 0.30662 0.61484 0.32674 -0.10347 -0.04698 -0.05362 41 PRO I CB 4611 C CG . PRO D 42 ? 0.30337 0.61455 0.34333 -0.10803 -0.02725 -0.06590 41 PRO I CG 4612 C CD . PRO D 42 ? 0.27918 0.61742 0.31887 -0.11050 -0.02041 -0.05913 41 PRO I CD 4620 N N . GLY D 43 ? 0.26886 0.63213 0.26589 -0.09203 -0.05560 -0.06380 42 GLY I N 4621 C CA . GLY D 43 ? 0.27742 0.62142 0.27559 -0.07450 -0.06947 -0.05435 42 GLY I CA 4622 C C . GLY D 43 ? 0.28798 0.61536 0.28513 -0.07089 -0.08988 -0.04542 42 GLY I C 4623 O O . GLY D 43 ? 0.34565 0.62990 0.26057 -0.06907 -0.11992 -0.02481 42 GLY I O 4627 N N . GLN D 44 ? 0.22598 0.58541 0.24598 -0.05308 -0.04535 -0.05992 43 GLN I N 4628 C CA . GLN D 44 ? 0.21435 0.58385 0.26341 -0.02944 -0.02054 -0.05162 43 GLN I CA 4629 C C . GLN D 44 ? 0.19336 0.51616 0.22772 -0.02334 -0.02670 -0.03832 43 GLN I C 4630 O O . GLN D 44 ? 0.21631 0.48973 0.22371 -0.03636 -0.02059 -0.02230 43 GLN I O 4631 C CB . GLN D 44 ? 0.23023 0.64929 0.32876 0.00542 0.01261 -0.05334 43 GLN I CB 4632 C CG . GLN D 44 ? 0.27456 0.73863 0.39255 0.01609 -0.02115 -0.05608 43 GLN I CG 4633 C CD . GLN D 44 ? 0.36705 0.80836 0.46477 0.00346 -0.03038 -0.04791 43 GLN I CD 4634 O OE1 . GLN D 44 ? 0.35128 0.80563 0.48664 0.00763 -0.03051 -0.02816 43 GLN I OE1 4635 N NE2 . GLN D 44 ? 0.46530 0.90454 0.53389 -0.01543 -0.03616 -0.06437 43 GLN I NE2 4644 N N . GLY D 45 ? 0.17936 0.47554 0.21962 -0.00386 -0.04044 -0.04376 44 GLY I N 4645 C CA . GLY D 45 ? 0.17074 0.45307 0.19003 -0.01390 -0.04960 -0.05026 44 GLY I CA 4646 C C . GLY D 45 ? 0.19146 0.44324 0.18117 -0.00377 -0.02264 -0.03007 44 GLY I C 4647 O O . GLY D 45 ? 0.23647 0.47436 0.20104 0.02902 -0.00053 -0.01886 44 GLY I O 4651 N N . LEU D 46 ? 0.19350 0.40211 0.16156 -0.02079 -0.02597 -0.02743 45 LEU I N 4652 C CA . LEU D 46 ? 0.22677 0.35398 0.17301 -0.00297 -0.02308 -0.03090 45 LEU I CA 4653 C C . LEU D 46 ? 0.22001 0.32949 0.17305 0.02057 -0.04161 -0.06104 45 LEU I C 4654 O O . LEU D 46 ? 0.23935 0.33482 0.20510 0.04981 -0.05462 -0.03771 45 LEU I O 4655 C CB . LEU D 46 ? 0.18641 0.32259 0.18116 0.04655 -0.01645 -0.03055 45 LEU I CB 4656 C CG . LEU D 46 ? 0.19936 0.34703 0.20374 0.02470 0.00838 -0.03160 45 LEU I CG 4657 C CD1 . LEU D 46 ? 0.22994 0.35770 0.20599 0.01217 0.00650 -0.03835 45 LEU I CD1 4658 C CD2 . LEU D 46 ? 0.21631 0.37919 0.23417 0.00049 0.02504 -0.02410 45 LEU I CD2 4670 N N A GLU D 47 ? 0.21559 0.34149 0.16758 0.02453 -0.03626 -0.06024 46 GLU I N 4671 N N B GLU D 47 ? 0.21954 0.34483 0.16480 0.02598 -0.04232 -0.06444 46 GLU I N 4672 C CA A GLU D 47 ? 0.21800 0.34939 0.20404 0.03504 -0.03347 -0.04945 46 GLU I CA 4673 C CA B GLU D 47 ? 0.21043 0.35708 0.21173 0.03443 -0.04609 -0.05964 46 GLU I CA 4674 C C A GLU D 47 ? 0.21764 0.32537 0.18572 0.03325 -0.03389 -0.04305 46 GLU I C 4675 C C B GLU D 47 ? 0.20777 0.32675 0.18372 0.02458 -0.04287 -0.04696 46 GLU I C 4676 O O A GLU D 47 ? 0.22587 0.33965 0.20111 0.04070 -0.04152 -0.02470 46 GLU I O 4677 O O B GLU D 47 ? 0.20700 0.34598 0.19554 0.00817 -0.05248 -0.01892 46 GLU I O 4678 C CB A GLU D 47 ? 0.24121 0.38843 0.24804 0.04653 -0.03145 -0.04391 46 GLU I CB 4679 C CB B GLU D 47 ? 0.23095 0.41330 0.29522 0.05432 -0.06823 -0.06810 46 GLU I CB 4680 C CG A GLU D 47 ? 0.26487 0.43011 0.24607 0.04848 -0.02042 -0.04110 46 GLU I CG 4681 C CG B GLU D 47 ? 0.28142 0.51150 0.34329 0.06629 -0.07757 -0.07170 46 GLU I CG 4682 C CD A GLU D 47 ? 0.28951 0.45556 0.29003 0.04364 -0.00088 -0.04392 46 GLU I CD 4683 C CD B GLU D 47 ? 0.33866 0.59130 0.38397 0.06467 -0.04336 -0.07060 46 GLU I CD 4684 O OE1 A GLU D 47 ? 0.28798 0.43849 0.27997 0.06345 0.02986 -0.05506 46 GLU I OE1 4685 O OE1 B GLU D 47 ? 0.30864 0.59429 0.40685 0.08434 -0.06262 -0.07810 46 GLU I OE1 4686 O OE2 A GLU D 47 ? 0.31479 0.49099 0.31888 0.01251 -0.00008 -0.03424 46 GLU I OE2 4687 O OE2 B GLU D 47 ? 0.43609 0.68036 0.46013 0.05036 0.02341 -0.04727 46 GLU I OE2 4700 N N . TRP D 48 ? 0.23312 0.32792 0.17130 0.01078 -0.02815 -0.04373 47 TRP I N 4701 C CA . TRP D 48 ? 0.22868 0.32152 0.18830 0.01565 -0.03676 -0.05743 47 TRP I CA 4702 C C . TRP D 48 ? 0.24619 0.32346 0.19090 0.03185 -0.02449 -0.07851 47 TRP I C 4703 O O . TRP D 48 ? 0.28332 0.34360 0.20608 0.05969 -0.03707 -0.04250 47 TRP I O 4704 C CB . TRP D 48 ? 0.22317 0.31864 0.19619 0.02506 -0.03196 -0.05335 47 TRP I CB 4705 C CG . TRP D 48 ? 0.21063 0.25989 0.16587 0.01391 -0.02235 -0.01990 47 TRP I CG 4706 C CD1 . TRP D 48 ? 0.22664 0.24686 0.17438 -0.02224 0.00025 -0.02623 47 TRP I CD1 4707 C CD2 . TRP D 48 ? 0.22182 0.26641 0.16038 0.00838 -0.01078 -0.02056 47 TRP I CD2 4708 N NE1 . TRP D 48 ? 0.23829 0.26045 0.17796 -0.01380 -0.00637 -0.01306 47 TRP I NE1 4709 C CE2 . TRP D 48 ? 0.22868 0.25915 0.15434 -0.00089 -0.01369 -0.01829 47 TRP I CE2 4710 C CE3 . TRP D 48 ? 0.23961 0.29124 0.17079 0.02385 -0.00620 -0.02846 47 TRP I CE3 4711 C CZ2 . TRP D 48 ? 0.25693 0.26736 0.14415 -0.00515 -0.00068 -0.02000 47 TRP I CZ2 4712 C CZ3 . TRP D 48 ? 0.26944 0.32101 0.16887 0.00826 -0.01246 -0.01274 47 TRP I CZ3 4713 C CH2 . TRP D 48 ? 0.27199 0.30310 0.16116 -0.01510 -0.01832 0.00446 47 TRP I CH2 4724 N N . MET D 49 ? 0.22116 0.30624 0.15553 0.01828 -0.02155 -0.06404 48 MET I N 4725 C CA . MET D 49 ? 0.23337 0.30877 0.17029 -0.03278 0.00182 -0.06990 48 MET I CA 4726 C C . MET D 49 ? 0.26319 0.27184 0.16536 -0.02356 0.00457 -0.04611 48 MET I C 4727 O O . MET D 49 ? 0.27412 0.24709 0.21169 0.00203 0.01473 -0.02733 48 MET I O 4728 C CB . MET D 49 ? 0.26530 0.32084 0.19733 -0.04975 0.03749 -0.07443 48 MET I CB 4729 C CG . MET D 49 ? 0.26581 0.31241 0.21461 -0.02630 0.02280 -0.08145 48 MET I CG 4730 S SD . MET D 49 ? 0.28928 0.32453 0.31913 -0.01948 0.00883 -0.03739 48 MET I SD 4731 C CE . MET D 49 ? 0.32648 0.31111 0.25118 -0.03651 0.05927 -0.07982 48 MET I CE 4741 N N . GLY D 50 ? 0.23509 0.27119 0.16540 -0.00500 0.00407 -0.03460 49 GLY I N 4742 C CA . GLY D 50 ? 0.22850 0.26248 0.16238 -0.03419 0.00391 -0.02684 49 GLY I CA 4743 C C . GLY D 50 ? 0.23403 0.21198 0.16786 -0.01146 -0.00866 -0.01775 49 GLY I C 4744 O O . GLY D 50 ? 0.22179 0.21104 0.18628 0.01197 -0.01701 -0.02640 49 GLY I O 4748 N N . GLY D 51 ? 0.25298 0.25508 0.18688 -0.01619 -0.01260 -0.01397 50 GLY I N 4749 C CA . GLY D 51 ? 0.23241 0.23130 0.16707 -0.03491 -0.00979 -0.05057 50 GLY I CA 4750 C C . GLY D 51 ? 0.25387 0.25123 0.18627 -0.05235 0.00053 -0.04855 50 GLY I C 4751 O O . GLY D 51 ? 0.27230 0.25209 0.18078 -0.05868 -0.00481 -0.03795 50 GLY I O 4755 N N . ILE D 52 ? 0.22527 0.30602 0.18568 -0.05382 -0.02650 -0.04084 51 ILE I N 4756 C CA . ILE D 52 ? 0.23172 0.31952 0.18232 -0.07459 -0.02349 -0.02617 51 ILE I CA 4757 C C . ILE D 52 ? 0.23251 0.34795 0.18574 -0.05741 -0.02464 -0.03133 51 ILE I C 4758 O O . ILE D 52 ? 0.25796 0.36889 0.19353 -0.07263 -0.01563 -0.05448 51 ILE I O 4759 C CB . ILE D 52 ? 0.26632 0.33743 0.17621 -0.04967 -0.02335 -0.02257 51 ILE I CB 4760 C CG1 . ILE D 52 ? 0.32043 0.39699 0.19044 -0.02196 -0.00494 -0.01260 51 ILE I CG1 4761 C CG2 . ILE D 52 ? 0.24628 0.31194 0.20185 -0.06171 -0.02152 -0.01194 51 ILE I CG2 4762 C CD1 . ILE D 52 ? 0.36309 0.42270 0.23975 0.01533 -0.00552 0.01774 51 ILE I CD1 4774 N N . ILE D 53 ? 0.23607 0.37998 0.21346 -0.07364 -0.05425 -0.00846 52 ILE I N 4775 C CA . ILE D 53 ? 0.26035 0.38736 0.22237 -0.08450 -0.05190 0.02228 52 ILE I CA 4776 C C . ILE D 53 ? 0.25686 0.36106 0.21803 -0.07033 -0.02708 0.02693 52 ILE I C 4777 O O . ILE D 53 ? 0.22020 0.32909 0.23309 -0.04787 -0.02050 0.03049 52 ILE I O 4778 C CB . ILE D 53 ? 0.29175 0.38552 0.22810 -0.12009 -0.05610 0.00775 52 ILE I CB 4779 C CG1 . ILE D 53 ? 0.35312 0.38963 0.26708 -0.11688 -0.07372 0.02083 52 ILE I CG1 4780 C CG2 . ILE D 53 ? 0.32665 0.42648 0.23966 -0.12774 -0.04763 -0.00554 52 ILE I CG2 4781 C CD1 . ILE D 53 ? 0.35627 0.36787 0.27427 -0.09709 -0.07587 0.00214 52 ILE I CD1 4793 N N . PRO D 54 ? 0.30460 0.36881 0.20225 -0.10589 -0.03144 0.00714 53 PRO I N 4794 C CA . PRO D 54 ? 0.30536 0.37955 0.20326 -0.08485 -0.01770 0.01998 53 PRO I CA 4795 C C . PRO D 54 ? 0.26342 0.37393 0.18939 -0.06390 -0.00819 0.01889 53 PRO I C 4796 O O . PRO D 54 ? 0.25494 0.36193 0.19621 -0.06073 -0.01070 0.02221 53 PRO I O 4797 C CB . PRO D 54 ? 0.35067 0.39807 0.21449 -0.07066 -0.01949 0.02913 53 PRO I CB 4798 C CG . PRO D 54 ? 0.34922 0.39553 0.23492 -0.09051 -0.03558 0.01475 53 PRO I CG 4799 C CD . PRO D 54 ? 0.34427 0.39576 0.23063 -0.10081 -0.04564 0.00717 53 PRO I CD 4807 N N . ILE D 55 ? 0.24282 0.39044 0.17886 -0.06892 -0.04603 0.02524 54 ILE I N 4808 C CA . ILE D 55 ? 0.24302 0.42246 0.19203 -0.06985 -0.05931 0.02550 54 ILE I CA 4809 C C . ILE D 55 ? 0.26174 0.38162 0.20719 -0.09162 -0.07768 0.04379 54 ILE I C 4810 O O . ILE D 55 ? 0.26509 0.37736 0.21829 -0.06531 -0.08193 0.03029 54 ILE I O 4811 C CB . ILE D 55 ? 0.25690 0.50868 0.20868 -0.05881 -0.01485 0.02520 54 ILE I CB 4812 C CG1 . ILE D 55 ? 0.32157 0.55366 0.26366 -0.06090 -0.02406 0.03536 54 ILE I CG1 4813 C CG2 . ILE D 55 ? 0.22411 0.52845 0.21094 -0.03119 0.02720 0.01238 54 ILE I CG2 4814 C CD1 . ILE D 55 ? 0.38610 0.61178 0.34430 -0.06202 -0.06273 0.04226 54 ILE I CD1 4826 N N . PHE D 56 ? 0.29895 0.35952 0.19229 -0.08160 -0.07804 0.06376 55 PHE I N 4827 C CA . PHE D 56 ? 0.30439 0.34517 0.16603 -0.09535 -0.04758 0.04481 55 PHE I CA 4828 C C . PHE D 56 ? 0.30001 0.36515 0.17758 -0.04196 0.01644 0.00136 55 PHE I C 4829 O O . PHE D 56 ? 0.33123 0.38497 0.20999 -0.05520 0.02767 -0.04046 55 PHE I O 4830 C CB . PHE D 56 ? 0.33809 0.39091 0.17876 -0.10331 -0.03751 0.06227 55 PHE I CB 4831 C CG . PHE D 56 ? 0.33245 0.41991 0.17395 -0.13196 -0.04163 0.05759 55 PHE I CG 4832 C CD1 . PHE D 56 ? 0.35570 0.46671 0.23653 -0.18132 -0.01855 0.05831 55 PHE I CD1 4833 C CD2 . PHE D 56 ? 0.34605 0.44297 0.16673 -0.09863 -0.06808 0.03893 55 PHE I CD2 4834 C CE1 . PHE D 56 ? 0.35562 0.45295 0.23319 -0.21102 -0.00339 0.07580 55 PHE I CE1 4835 C CE2 . PHE D 56 ? 0.34853 0.43691 0.18928 -0.12943 -0.02621 0.03410 55 PHE I CE2 4836 C CZ . PHE D 56 ? 0.35401 0.42872 0.19518 -0.17786 0.00465 0.03239 55 PHE I CZ 4846 N N . GLY D 57 ? 0.32066 0.36172 0.17359 -0.01484 0.02937 0.00366 56 GLY I N 4847 C CA . GLY D 57 ? 0.36344 0.40614 0.21846 -0.01828 0.02018 -0.01062 56 GLY I CA 4848 C C . GLY D 57 ? 0.38302 0.43040 0.26143 -0.00733 0.00115 -0.04161 56 GLY I C 4849 O O . GLY D 57 ? 0.45365 0.46863 0.28624 0.01997 -0.00770 -0.06061 56 GLY I O 4853 N N . THR D 58 ? 0.37524 0.42707 0.29788 -0.03780 -0.06368 -0.05512 57 THR I N 4854 C CA . THR D 58 ? 0.44438 0.46964 0.35789 -0.06808 -0.06365 -0.06641 57 THR I CA 4855 C C . THR D 58 ? 0.34171 0.42311 0.30597 -0.05383 -0.05352 -0.07135 57 THR I C 4856 O O . THR D 58 ? 0.34201 0.47584 0.32400 -0.10784 -0.03134 -0.03081 57 THR I O 4857 C CB . THR D 58 ? 0.56788 0.51020 0.41951 -0.10465 -0.05465 -0.04628 57 THR I CB 4858 O OG1 . THR D 58 ? 0.58461 0.52894 0.44384 -0.14911 -0.04230 -0.01472 57 THR I OG1 4859 C CG2 . THR D 58 ? 0.67140 0.59339 0.48127 -0.09300 -0.06783 -0.03703 57 THR I CG2 4867 N N . ALA D 59 ? 0.34130 0.40191 0.27660 -0.03035 -0.04386 -0.09041 58 ALA I N 4868 C CA . ALA D 59 ? 0.29502 0.34495 0.22602 -0.04245 -0.01712 -0.05500 58 ALA I CA 4869 C C . ALA D 59 ? 0.29235 0.28477 0.21166 -0.06255 -0.00302 -0.06844 58 ALA I C 4870 O O . ALA D 59 ? 0.31548 0.27806 0.25188 -0.03481 -0.02022 -0.04212 58 ALA I O 4871 C CB . ALA D 59 ? 0.31111 0.35960 0.24343 -0.05501 -0.03880 0.01180 58 ALA I CB 4877 N N . ASN D 60 ? 0.30396 0.30143 0.22641 -0.07436 -0.01941 -0.05258 59 ASN I N 4878 C CA . ASN D 60 ? 0.33523 0.31809 0.23782 -0.06754 -0.00238 -0.03206 59 ASN I CA 4879 C C . ASN D 60 ? 0.31352 0.27697 0.23456 -0.03716 -0.02589 -0.03704 59 ASN I C 4880 O O . ASN D 60 ? 0.31203 0.27728 0.27118 -0.02428 -0.05711 -0.04865 59 ASN I O 4881 C CB . ASN D 60 ? 0.38743 0.34697 0.23266 -0.09920 0.02936 -0.02762 59 ASN I CB 4882 C CG . ASN D 60 ? 0.40207 0.37301 0.24709 -0.11379 0.02906 -0.01792 59 ASN I CG 4883 O OD1 . ASN D 60 ? 0.38000 0.39777 0.24346 -0.11855 0.01070 -0.02423 59 ASN I OD1 4884 N ND2 . ASN D 60 ? 0.42991 0.40006 0.31364 -0.12180 0.01853 0.00075 59 ASN I ND2 4891 N N . TYR D 61 ? 0.34337 0.26884 0.19582 0.00769 0.02565 -0.01179 60 TYR I N 4892 C CA . TYR D 61 ? 0.35722 0.25128 0.18547 0.01533 0.03003 0.03317 60 TYR I CA 4893 C C . TYR D 61 ? 0.37719 0.25715 0.20302 -0.00595 0.02225 0.02899 60 TYR I C 4894 O O . TYR D 61 ? 0.39373 0.23441 0.25260 -0.01075 -0.00136 0.02019 60 TYR I O 4895 C CB . TYR D 61 ? 0.36925 0.26401 0.19984 0.02409 0.01318 0.01721 60 TYR I CB 4896 C CG . TYR D 61 ? 0.35425 0.27785 0.20513 0.01081 0.01409 0.00968 60 TYR I CG 4897 C CD1 . TYR D 61 ? 0.34270 0.28621 0.20074 -0.03852 0.04577 0.01302 60 TYR I CD1 4898 C CD2 . TYR D 61 ? 0.34450 0.28319 0.19220 0.04384 0.01227 -0.01258 60 TYR I CD2 4899 C CE1 . TYR D 61 ? 0.30821 0.33920 0.19390 -0.07039 0.03795 0.00335 60 TYR I CE1 4900 C CE2 . TYR D 61 ? 0.29889 0.30826 0.19390 -0.00359 -0.01291 0.00773 60 TYR I CE2 4901 C CZ . TYR D 61 ? 0.26130 0.31291 0.20731 -0.05838 0.02144 0.01951 60 TYR I CZ 4902 O OH . TYR D 61 ? 0.29246 0.33139 0.22391 -0.05592 0.01610 0.02272 60 TYR I OH 4912 N N . ALA D 62 ? 0.33454 0.27832 0.18693 0.00836 0.01369 0.00971 61 ALA I N 4913 C CA . ALA D 62 ? 0.34403 0.28330 0.19208 0.02693 0.04712 -0.01062 61 ALA I CA 4914 C C . ALA D 62 ? 0.37211 0.28783 0.19891 0.05212 0.05231 -0.03074 61 ALA I C 4915 O O . ALA D 62 ? 0.39659 0.29609 0.20450 0.04875 0.07227 -0.01956 61 ALA I O 4916 C CB . ALA D 62 ? 0.32512 0.26686 0.21246 0.00440 0.05983 -0.03049 61 ALA I CB 4922 N N . GLN D 63 ? 0.40569 0.33120 0.26617 0.08730 0.04035 -0.04921 62 GLN I N 4923 C CA . GLN D 63 ? 0.47747 0.42272 0.38049 0.12933 0.06605 -0.06951 62 GLN I CA 4924 C C . GLN D 63 ? 0.38947 0.37346 0.32960 0.09376 0.06366 -0.01619 62 GLN I C 4925 O O . GLN D 63 ? 0.38812 0.36647 0.33888 0.05429 0.10899 -0.00984 62 GLN I O 4926 C CB . GLN D 63 ? 0.67324 0.59707 0.58793 0.14190 0.07816 -0.06422 62 GLN I CB 4927 C CG . GLN D 63 ? 0.89236 0.78423 0.78934 0.11261 0.07105 -0.03616 62 GLN I CG 4928 C CD . GLN D 63 ? 1.13881 0.99249 0.95813 0.10477 0.07043 -0.01671 62 GLN I CD 4929 O OE1 . GLN D 63 ? 1.16654 1.02158 0.99758 0.10576 0.07560 -0.00797 62 GLN I OE1 4930 N NE2 . GLN D 63 ? 1.14328 0.98868 0.95962 0.10401 0.06725 -0.01179 62 GLN I NE2 4939 N N . LYS D 64 ? 0.37439 0.40474 0.31187 0.07006 0.03370 -0.00073 63 LYS I N 4940 C CA . LYS D 64 ? 0.34140 0.42515 0.30079 0.06040 0.01184 0.00787 63 LYS I CA 4941 C C . LYS D 64 ? 0.36189 0.41888 0.30021 0.02814 0.02190 0.04059 63 LYS I C 4942 O O . LYS D 64 ? 0.36950 0.45201 0.30433 0.03301 0.01592 0.06072 63 LYS I O 4943 C CB . LYS D 64 ? 0.36022 0.48875 0.33510 0.06697 -0.00980 -0.01797 63 LYS I CB 4944 C CG . LYS D 64 ? 0.39226 0.52810 0.36718 0.06671 0.00433 -0.03054 63 LYS I CG 4945 C CD . LYS D 64 ? 0.41364 0.57652 0.39611 0.05751 -0.00306 -0.01184 63 LYS I CD 4946 C CE . LYS D 64 ? 0.44242 0.63948 0.45327 0.04746 -0.00877 -0.00593 63 LYS I CE 4947 N NZ . LYS D 64 ? 0.44523 0.66079 0.46264 0.04264 -0.00819 -0.01962 63 LYS I NZ 4961 N N . PHE D 65 ? 0.35443 0.37372 0.26488 0.00214 0.01472 0.03113 64 PHE I N 4962 C CA . PHE D 65 ? 0.38503 0.37932 0.27197 0.01077 0.02683 0.03215 64 PHE I CA 4963 C C . PHE D 65 ? 0.41784 0.38383 0.28560 -0.01007 0.04156 0.03248 64 PHE I C 4964 O O . PHE D 65 ? 0.40454 0.37435 0.25799 -0.00383 0.04266 0.06288 64 PHE I O 4965 C CB . PHE D 65 ? 0.38547 0.41205 0.27466 0.03347 0.02809 0.03827 64 PHE I CB 4966 C CG . PHE D 65 ? 0.34728 0.41806 0.28509 0.03157 -0.00036 0.00849 64 PHE I CG 4967 C CD1 . PHE D 65 ? 0.35954 0.44033 0.30075 0.00201 -0.03155 -0.00516 64 PHE I CD1 4968 C CD2 . PHE D 65 ? 0.31706 0.40036 0.30116 0.05650 0.00396 -0.00924 64 PHE I CD2 4969 C CE1 . PHE D 65 ? 0.36072 0.43191 0.29702 0.00054 -0.03873 -0.03293 64 PHE I CE1 4970 C CE2 . PHE D 65 ? 0.31891 0.39650 0.34630 0.05995 -0.00446 -0.01658 64 PHE I CE2 4971 C CZ . PHE D 65 ? 0.34760 0.41920 0.33106 0.04673 -0.00776 -0.01962 64 PHE I CZ 4981 N N A GLN D 66 ? 0.42072 0.38777 0.27366 -0.01259 0.05418 -0.00191 65 GLN I N 4982 N N B GLN D 66 ? 0.43985 0.39487 0.29215 0.00935 0.03993 -0.00598 65 GLN I N 4983 C CA A GLN D 66 ? 0.46076 0.40892 0.28369 0.00196 0.05326 -0.03266 65 GLN I CA 4984 C CA B GLN D 66 ? 0.46002 0.39568 0.30211 0.02675 0.04445 -0.03192 65 GLN I CA 4985 C C A GLN D 66 ? 0.42421 0.40703 0.26142 0.00848 0.07251 -0.02549 65 GLN I C 4986 C C B GLN D 66 ? 0.41695 0.37633 0.31030 0.04844 0.06175 -0.04265 65 GLN I C 4987 O O A GLN D 66 ? 0.43184 0.38537 0.27782 0.00476 0.02363 -0.00591 65 GLN I O 4988 O O B GLN D 66 ? 0.41648 0.39146 0.30298 0.05362 0.06321 -0.05515 65 GLN I O 4989 C CB A GLN D 66 ? 0.53973 0.45634 0.35927 -0.00123 0.03075 -0.04755 65 GLN I CB 4990 C CB B GLN D 66 ? 0.51942 0.43467 0.34798 0.01629 0.03647 -0.03536 65 GLN I CB 4991 C CG A GLN D 66 ? 0.61007 0.49006 0.40470 0.01155 0.03600 -0.04058 65 GLN I CG 4992 C CG B GLN D 66 ? 0.55322 0.44975 0.38552 0.01473 0.03419 -0.03431 65 GLN I CG 4993 C CD A GLN D 66 ? 0.67485 0.53108 0.48652 0.02540 0.05997 -0.04250 65 GLN I CD 4994 C CD B GLN D 66 ? 0.59425 0.46986 0.41352 0.02462 0.03731 -0.03585 65 GLN I CD 4995 O OE1 A GLN D 66 ? 0.67680 0.54708 0.46208 0.04074 0.09594 -0.02046 65 GLN I OE1 4996 O OE1 B GLN D 66 ? 0.61176 0.48187 0.43557 0.02885 0.04538 -0.02871 65 GLN I OE1 4997 N NE2 A GLN D 66 ? 0.70298 0.54182 0.48313 0.01132 0.06228 -0.08433 65 GLN I NE2 4998 N NE2 B GLN D 66 ? 0.61727 0.49168 0.44663 0.02058 0.03422 -0.04240 65 GLN I NE2 5015 N N A GLY D 67 ? 0.36593 0.36864 0.21050 -0.00477 0.11621 -0.01768 66 GLY I N 5016 N N B GLY D 67 ? 0.40442 0.36357 0.28934 0.05444 0.06643 -0.03884 66 GLY I N 5017 C CA A GLY D 67 ? 0.38680 0.35121 0.23576 0.01755 0.11872 -0.01777 66 GLY I CA 5018 C CA B GLY D 67 ? 0.41290 0.37613 0.27383 0.05807 0.07196 -0.04184 66 GLY I CA 5019 C C A GLY D 67 ? 0.37718 0.33363 0.23530 0.00127 0.09625 -0.00395 66 GLY I C 5020 C C B GLY D 67 ? 0.38841 0.37705 0.29436 0.05402 0.07580 -0.04037 66 GLY I C 5021 O O A GLY D 67 ? 0.38603 0.33523 0.21966 -0.00801 0.08215 0.01452 66 GLY I O 5022 O O B GLY D 67 ? 0.38577 0.37377 0.27968 0.06571 0.08174 -0.03607 66 GLY I O 5029 N N A ARG D 68 ? 0.36495 0.35201 0.27332 0.02550 0.07285 -0.03371 67 ARG I N 5030 N N B ARG D 68 ? 0.36463 0.35980 0.28145 0.04650 0.06569 -0.03955 67 ARG I N 5031 C CA A ARG D 68 ? 0.38598 0.39482 0.31362 0.02608 0.05452 -0.03238 67 ARG I CA 5032 C CA B ARG D 68 ? 0.38419 0.39262 0.29101 0.03431 0.05323 -0.03784 67 ARG I CA 5033 C C A ARG D 68 ? 0.31849 0.33487 0.25597 0.00331 0.03153 -0.01850 67 ARG I C 5034 C C B ARG D 68 ? 0.33040 0.34874 0.25460 0.01732 0.03575 -0.02522 67 ARG I C 5035 O O A ARG D 68 ? 0.29760 0.30987 0.22333 -0.03857 0.02988 -0.02482 67 ARG I O 5036 O O B ARG D 68 ? 0.33575 0.33930 0.24943 -0.00529 0.03770 -0.03258 67 ARG I O 5037 C CB A ARG D 68 ? 0.47959 0.50592 0.38569 0.04362 0.03201 -0.04371 67 ARG I CB 5038 C CB B ARG D 68 ? 0.43665 0.46820 0.33631 0.04322 0.04079 -0.04285 67 ARG I CB 5039 C CG A ARG D 68 ? 0.54493 0.60692 0.47411 0.01750 0.04180 -0.04945 67 ARG I CG 5040 C CG B ARG D 68 ? 0.45624 0.52024 0.38814 0.02172 0.03688 -0.03826 67 ARG I CG 5041 C CD A ARG D 68 ? 0.48442 0.52264 0.35260 0.00387 0.06214 -0.04940 67 ARG I CD 5042 C CD B ARG D 68 ? 0.43318 0.51671 0.36239 0.02438 0.04011 -0.03954 67 ARG I CD 5043 N NE A ARG D 68 ? 0.41862 0.46908 0.23125 -0.00596 0.06709 -0.04145 67 ARG I NE 5044 N NE B ARG D 68 ? 0.40446 0.52292 0.37166 0.03516 0.04718 -0.03867 67 ARG I NE 5045 C CZ A ARG D 68 ? 0.33627 0.43691 0.20337 -0.01421 0.01562 -0.04122 67 ARG I CZ 5046 C CZ B ARG D 68 ? 0.36910 0.50912 0.35756 0.03543 0.05922 -0.03199 67 ARG I CZ 5047 N NH1 A ARG D 68 ? 0.31181 0.38973 0.22586 -0.03178 -0.01289 -0.06702 67 ARG I NH1 5048 N NH1 B ARG D 68 ? 0.37653 0.51815 0.36443 0.02993 0.05290 -0.02855 67 ARG I NH1 5049 N NH2 A ARG D 68 ? 0.30359 0.44001 0.18489 -0.01815 -0.02396 -0.04919 67 ARG I NH2 5050 N NH2 B ARG D 68 ? 0.36345 0.51542 0.37802 0.03779 0.07444 -0.02177 67 ARG I NH2 5077 N N . VAL D 69 ? 0.29096 0.30401 0.21722 -0.00249 0.02464 -0.01421 68 VAL I N 5078 C CA . VAL D 69 ? 0.27047 0.26635 0.18015 -0.00611 0.01735 -0.02067 68 VAL I CA 5079 C C . VAL D 69 ? 0.29131 0.27034 0.19103 -0.04500 0.02196 -0.02497 68 VAL I C 5080 O O . VAL D 69 ? 0.30345 0.24373 0.22622 -0.04861 0.00963 -0.02259 68 VAL I O 5081 C CB . VAL D 69 ? 0.27486 0.24397 0.19658 -0.00231 0.01219 -0.01044 68 VAL I CB 5082 C CG1 . VAL D 69 ? 0.30369 0.27120 0.23811 -0.02576 0.00106 0.02304 68 VAL I CG1 5083 C CG2 . VAL D 69 ? 0.34591 0.25642 0.23780 0.02761 0.00007 -0.06548 68 VAL I CG2 5093 N N . THR D 70 ? 0.30499 0.31895 0.18190 -0.07185 0.02106 -0.05238 69 THR I N 5094 C CA . THR D 70 ? 0.29065 0.30901 0.16262 -0.08299 0.01375 -0.03545 69 THR I CA 5095 C C . THR D 70 ? 0.27439 0.28714 0.16685 -0.07743 -0.00097 -0.03918 69 THR I C 5096 O O . THR D 70 ? 0.25414 0.30459 0.16457 -0.06883 0.00351 -0.03570 69 THR I O 5097 C CB . THR D 70 ? 0.30166 0.33534 0.16327 -0.06977 0.01862 -0.05582 69 THR I CB 5098 O OG1 . THR D 70 ? 0.32921 0.34742 0.17660 -0.07341 0.04122 -0.06146 69 THR I OG1 5099 C CG2 . THR D 70 ? 0.32528 0.37294 0.18730 -0.07220 0.00261 -0.06448 69 THR I CG2 5107 N N . ILE D 71 ? 0.26551 0.27081 0.17938 -0.05673 0.01959 -0.01975 70 ILE I N 5108 C CA . ILE D 71 ? 0.22089 0.29260 0.17474 -0.05200 0.00025 -0.00077 70 ILE I CA 5109 C C . ILE D 71 ? 0.24374 0.32944 0.19272 -0.07838 -0.01133 -0.01740 70 ILE I C 5110 O O . ILE D 71 ? 0.29493 0.31864 0.22425 -0.08057 -0.01924 -0.01192 70 ILE I O 5111 C CB . ILE D 71 ? 0.26498 0.32382 0.18894 -0.03697 -0.00072 -0.01118 70 ILE I CB 5112 C CG1 . ILE D 71 ? 0.28843 0.33567 0.16597 -0.01731 0.01858 -0.00793 70 ILE I CG1 5113 C CG2 . ILE D 71 ? 0.25737 0.34713 0.20773 -0.02406 -0.00500 -0.00284 70 ILE I CG2 5114 C CD1 . ILE D 71 ? 0.28990 0.36605 0.17953 0.01063 0.05523 -0.00821 70 ILE I CD1 5126 N N . THR D 72 ? 0.25935 0.38135 0.20490 -0.06793 -0.03171 -0.01507 71 THR I N 5127 C CA . THR D 72 ? 0.27880 0.38282 0.22107 -0.05797 -0.05376 -0.02293 71 THR I CA 5128 C C . THR D 72 ? 0.29387 0.38875 0.23507 -0.05872 -0.05731 -0.00775 71 THR I C 5129 O O . THR D 72 ? 0.24771 0.36255 0.22629 -0.06072 -0.03874 0.00154 71 THR I O 5130 C CB . THR D 72 ? 0.29733 0.38245 0.22150 -0.03363 -0.03769 -0.03424 71 THR I CB 5131 O OG1 . THR D 72 ? 0.28847 0.36621 0.22557 -0.04373 -0.02739 -0.01888 71 THR I OG1 5132 C CG2 . THR D 72 ? 0.34527 0.38617 0.19065 -0.01793 -0.05866 -0.05931 71 THR I CG2 5140 N N . ALA D 73 ? 0.31653 0.44333 0.24486 -0.03561 -0.03745 -0.01768 72 ALA I N 5141 C CA . ALA D 73 ? 0.34471 0.47037 0.27216 -0.02546 -0.07942 -0.02470 72 ALA I CA 5142 C C . ALA D 73 ? 0.36826 0.52790 0.31637 -0.03403 -0.13638 -0.03933 72 ALA I C 5143 O O . ALA D 73 ? 0.38680 0.51953 0.34871 -0.06165 -0.15361 -0.03782 72 ALA I O 5144 C CB . ALA D 73 ? 0.37179 0.48181 0.28181 -0.02674 -0.06237 -0.02824 72 ALA I CB 5150 N N . ASP D 74 ? 0.39071 0.58263 0.34979 0.01307 -0.16332 -0.01338 73 ASP I N 5151 C CA . ASP D 74 ? 0.45123 0.70556 0.47041 0.03788 -0.19819 -0.02584 73 ASP I CA 5152 C C . ASP D 74 ? 0.42009 0.68559 0.50233 -0.00137 -0.17719 -0.05376 73 ASP I C 5153 O O . ASP D 74 ? 0.39529 0.63564 0.43941 -0.03005 -0.17656 -0.05646 73 ASP I O 5154 C CB . ASP D 74 ? 0.59347 0.85959 0.56904 0.05049 -0.21857 0.01364 73 ASP I CB 5155 C CG . ASP D 74 ? 0.75195 0.99130 0.73183 0.03821 -0.20208 0.02958 73 ASP I CG 5156 O OD1 . ASP D 74 ? 0.72511 0.94567 0.64843 0.02976 -0.19670 0.03676 73 ASP I OD1 5157 O OD2 . ASP D 74 ? 0.99722 1.20008 0.87054 0.03091 -0.18532 0.02793 73 ASP I OD2 5162 N N . GLU D 75 ? 0.43727 0.74058 0.52373 -0.03432 -0.17817 -0.07164 74 GLU I N 5163 C CA . GLU D 75 ? 0.49520 0.81819 0.62362 -0.03644 -0.18444 -0.06559 74 GLU I CA 5164 C C . GLU D 75 ? 0.48883 0.83228 0.64406 -0.01420 -0.20486 -0.04238 74 GLU I C 5165 O O . GLU D 75 ? 0.46286 0.78878 0.61150 -0.01570 -0.18650 -0.05552 74 GLU I O 5166 C CB . GLU D 75 ? 0.60244 0.93097 0.75473 -0.04521 -0.16776 -0.07282 74 GLU I CB 5167 C CG . GLU D 75 ? 0.73642 1.07123 0.84858 -0.04807 -0.16491 -0.07305 74 GLU I CG 5168 C CD . GLU D 75 ? 0.81551 1.16384 0.97653 -0.05531 -0.16878 -0.07372 74 GLU I CD 5169 O OE1 . GLU D 75 ? 0.82506 1.20400 1.04400 -0.08197 -0.19467 -0.09488 74 GLU I OE1 5170 O OE2 . GLU D 75 ? 0.86682 1.25354 1.11362 -0.05455 -0.15301 -0.06334 74 GLU I OE2 5177 N N . SER D 76 ? 0.51461 0.84469 0.58002 0.02486 -0.24353 0.00045 75 SER I N 5178 C CA . SER D 76 ? 0.54581 0.84696 0.59876 0.03448 -0.21501 0.00769 75 SER I CA 5179 C C . SER D 76 ? 0.49841 0.79046 0.55228 0.04068 -0.22579 0.03226 75 SER I C 5180 O O . SER D 76 ? 0.48364 0.79636 0.52942 0.04236 -0.28454 0.05299 75 SER I O 5181 C CB . SER D 76 ? 0.61185 0.92347 0.62392 0.04011 -0.22174 0.01002 75 SER I CB 5182 O OG . SER D 76 ? 0.65238 0.94052 0.63133 0.03310 -0.22721 0.00951 75 SER I OG 5188 N N . THR D 77 ? 0.46737 0.73336 0.49956 0.07312 -0.23046 0.05728 76 THR I N 5189 C CA . THR D 77 ? 0.46361 0.69436 0.45775 0.07078 -0.21220 0.07517 76 THR I CA 5190 C C . THR D 77 ? 0.42222 0.63785 0.45353 0.05322 -0.20386 0.04817 76 THR I C 5191 O O . THR D 77 ? 0.42474 0.60405 0.42521 0.04745 -0.18290 0.04764 76 THR I O 5192 C CB . THR D 77 ? 0.48000 0.69267 0.42580 0.07529 -0.17620 0.10058 76 THR I CB 5193 O OG1 . THR D 77 ? 0.48564 0.69352 0.41906 0.05432 -0.12550 0.10930 76 THR I OG1 5194 C CG2 . THR D 77 ? 0.49773 0.68817 0.44593 0.05435 -0.15188 0.10111 76 THR I CG2 5202 N N . SER D 78 ? 0.35615 0.58514 0.44643 0.01844 -0.18529 0.02968 77 SER I N 5203 C CA . SER D 78 ? 0.36463 0.61989 0.50445 0.00962 -0.17104 0.01742 77 SER I CA 5204 C C . SER D 78 ? 0.30198 0.49894 0.39474 0.01049 -0.11837 0.02711 77 SER I C 5205 O O . SER D 78 ? 0.27544 0.45515 0.33817 0.00859 -0.08756 0.04682 77 SER I O 5206 C CB . SER D 78 ? 0.39749 0.74994 0.61493 0.02745 -0.18046 -0.00368 77 SER I CB 5207 O OG . SER D 78 ? 0.51421 0.82204 0.73633 0.02806 -0.15834 -0.02207 77 SER I OG 5213 N N . THR D 79 ? 0.29760 0.46026 0.33628 0.00283 -0.10316 0.03300 78 THR I N 5214 C CA . THR D 79 ? 0.31440 0.44153 0.31446 0.01529 -0.08696 0.03990 78 THR I CA 5215 C C . THR D 79 ? 0.30711 0.43480 0.28041 0.00963 -0.07409 0.00955 78 THR I C 5216 O O . THR D 79 ? 0.33525 0.46468 0.27476 0.03754 -0.08469 -0.03735 78 THR I O 5217 C CB . THR D 79 ? 0.36716 0.45496 0.33784 0.01895 -0.08072 0.05296 78 THR I CB 5218 O OG1 . THR D 79 ? 0.37789 0.47187 0.37137 -0.00890 -0.07754 0.07244 78 THR I OG1 5219 C CG2 . THR D 79 ? 0.37920 0.45579 0.33261 0.02180 -0.03407 0.04373 78 THR I CG2 5227 N N . ALA D 80 ? 0.26622 0.38861 0.27053 0.01376 -0.04703 0.05682 79 ALA I N 5228 C CA . ALA D 80 ? 0.24800 0.37165 0.24110 -0.01687 -0.03009 0.05492 79 ALA I CA 5229 C C . ALA D 80 ? 0.24557 0.34883 0.23638 -0.00760 -0.01856 0.01636 79 ALA I C 5230 O O . ALA D 80 ? 0.25206 0.37830 0.26671 0.00936 -0.02520 0.00457 79 ALA I O 5231 C CB . ALA D 80 ? 0.24276 0.38675 0.21911 -0.03159 0.01557 0.04195 79 ALA I CB 5237 N N . TYR D 81 ? 0.25130 0.33722 0.22519 -0.02812 -0.03035 0.02055 80 TYR I N 5238 C CA . TYR D 81 ? 0.24523 0.32960 0.20295 -0.04190 -0.02091 0.00829 80 TYR I CA 5239 C C . TYR D 81 ? 0.27726 0.29472 0.19027 -0.03941 -0.01756 -0.00967 80 TYR I C 5240 O O . TYR D 81 ? 0.28308 0.28636 0.19447 -0.03399 -0.00738 -0.00725 80 TYR I O 5241 C CB . TYR D 81 ? 0.28417 0.37141 0.23210 -0.01806 -0.02088 0.02392 80 TYR I CB 5242 C CG . TYR D 81 ? 0.34343 0.39292 0.23412 0.01256 -0.03683 0.04195 80 TYR I CG 5243 C CD1 . TYR D 81 ? 0.37413 0.41385 0.23169 0.00944 -0.05647 0.04583 80 TYR I CD1 5244 C CD2 . TYR D 81 ? 0.34841 0.37881 0.23220 0.00854 -0.01786 0.03700 80 TYR I CD2 5245 C CE1 . TYR D 81 ? 0.38973 0.43458 0.26643 0.02297 -0.05957 0.04837 80 TYR I CE1 5246 C CE2 . TYR D 81 ? 0.36542 0.42333 0.25423 0.02199 -0.02296 0.04108 80 TYR I CE2 5247 C CZ . TYR D 81 ? 0.40054 0.44545 0.27456 0.03519 -0.04262 0.06232 80 TYR I CZ 5248 O OH . TYR D 81 ? 0.46434 0.47152 0.26911 0.03872 -0.06204 0.09866 80 TYR I OH 5258 N N A MET D 82 ? 0.28181 0.28323 0.18382 -0.03903 -0.01152 -0.00098 81 MET I N 5259 N N B MET D 82 ? 0.28373 0.29274 0.19611 -0.03819 -0.01259 -0.00408 81 MET I N 5260 C CA A MET D 82 ? 0.26583 0.28046 0.16952 -0.03407 0.00222 0.00874 81 MET I CA 5261 C CA B MET D 82 ? 0.28267 0.30250 0.19854 -0.03550 -0.01425 0.00987 81 MET I CA 5262 C C A MET D 82 ? 0.27339 0.28901 0.16477 -0.04627 0.01047 0.01343 81 MET I C 5263 C C B MET D 82 ? 0.23504 0.28720 0.18816 -0.04386 -0.00828 0.01720 81 MET I C 5264 O O A MET D 82 ? 0.33114 0.29113 0.17836 -0.02665 0.03220 0.01041 81 MET I O 5265 O O B MET D 82 ? 0.22217 0.27565 0.19244 -0.02123 0.01211 0.02080 81 MET I O 5266 C CB A MET D 82 ? 0.25248 0.28478 0.18174 -0.01043 0.02317 0.01052 81 MET I CB 5267 C CB B MET D 82 ? 0.32197 0.32618 0.21917 -0.01698 -0.01979 0.01745 81 MET I CB 5268 C CG A MET D 82 ? 0.25475 0.29776 0.17754 -0.01254 0.03213 0.01343 81 MET I CG 5269 C CG B MET D 82 ? 0.35562 0.34461 0.25122 -0.00441 -0.03947 0.02347 81 MET I CG 5270 S SD A MET D 82 ? 0.25967 0.29340 0.18957 -0.03729 0.02919 0.02471 81 MET I SD 5271 S SD B MET D 82 ? 0.34066 0.40058 0.28353 -0.00449 -0.05319 0.00769 81 MET I SD 5272 C CE A MET D 82 ? 0.27290 0.27529 0.20904 -0.05736 0.01647 0.03629 81 MET I CE 5273 C CE B MET D 82 ? 0.33935 0.39153 0.29949 -0.02203 -0.05943 0.02615 81 MET I CE 5292 N N . GLU D 83 ? 0.25445 0.28385 0.16619 -0.05051 0.01554 0.01434 82 GLU I N 5293 C CA . GLU D 83 ? 0.27769 0.30789 0.19463 -0.02874 0.01245 -0.00619 82 GLU I CA 5294 C C . GLU D 83 ? 0.27414 0.25233 0.20701 -0.04633 0.00672 -0.00658 82 GLU I C 5295 O O . GLU D 83 ? 0.29580 0.24648 0.24618 -0.04141 0.02324 0.00678 82 GLU I O 5296 C CB . GLU D 83 ? 0.29584 0.34033 0.18204 0.00973 0.01363 -0.00117 82 GLU I CB 5297 C CG . GLU D 83 ? 0.32345 0.37165 0.17398 0.00039 0.00778 0.01228 82 GLU I CG 5298 C CD . GLU D 83 ? 0.38551 0.41738 0.20706 -0.02962 0.03453 0.00856 82 GLU I CD 5299 O OE1 . GLU D 83 ? 0.41390 0.39472 0.23140 -0.05369 0.06069 -0.00278 82 GLU I OE1 5300 O OE2 . GLU D 83 ? 0.41937 0.46566 0.21490 -0.02846 0.02216 0.00561 82 GLU I OE2 5308 N N . LEU D 84 ? 0.24067 0.25752 0.18394 -0.01808 -0.00273 0.01011 83 LEU I N 5309 C CA . LEU D 84 ? 0.23301 0.29150 0.17914 -0.00271 -0.01552 -0.00568 83 LEU I CA 5310 C C . LEU D 84 ? 0.26307 0.31468 0.18930 -0.01491 0.01701 0.00788 83 LEU I C 5311 O O . LEU D 84 ? 0.25796 0.30013 0.21484 -0.04863 0.02058 -0.01024 83 LEU I O 5312 C CB . LEU D 84 ? 0.26401 0.31193 0.18543 -0.00757 -0.03573 -0.02653 83 LEU I CB 5313 C CG . LEU D 84 ? 0.28769 0.28880 0.19257 -0.00436 -0.01431 -0.03921 83 LEU I CG 5314 C CD1 . LEU D 84 ? 0.32468 0.29419 0.19637 -0.00220 0.00657 -0.02288 83 LEU I CD1 5315 C CD2 . LEU D 84 ? 0.29872 0.29964 0.20623 0.00241 0.01127 -0.03338 83 LEU I CD2 5327 N N . ARG D 85 ? 0.25910 0.31481 0.17903 -0.02594 0.01042 -0.02657 84 ARG I N 5328 C CA . ARG D 85 ? 0.24971 0.34478 0.19826 -0.00990 0.02001 -0.03416 84 ARG I CA 5329 C C . ARG D 85 ? 0.24398 0.33943 0.20976 -0.03637 0.03092 -0.01420 84 ARG I C 5330 O O . ARG D 85 ? 0.27077 0.36373 0.21361 -0.03863 0.02850 -0.00787 84 ARG I O 5331 C CB . ARG D 85 ? 0.24555 0.34156 0.21322 -0.01778 0.01080 -0.03342 84 ARG I CB 5332 C CG . ARG D 85 ? 0.24633 0.30986 0.20926 -0.02822 0.00918 -0.02401 84 ARG I CG 5333 C CD . ARG D 85 ? 0.26343 0.32450 0.19088 -0.03315 -0.00763 -0.03927 84 ARG I CD 5334 N NE . ARG D 85 ? 0.27758 0.31656 0.19892 -0.01830 0.02074 -0.02923 84 ARG I NE 5335 C CZ . ARG D 85 ? 0.27220 0.30946 0.18298 -0.03200 0.03356 -0.00557 84 ARG I CZ 5336 N NH1 . ARG D 85 ? 0.28253 0.33016 0.17948 -0.00316 0.02169 -0.01431 84 ARG I NH1 5337 N NH2 . ARG D 85 ? 0.27776 0.30154 0.20833 -0.02160 -0.00892 -0.01730 84 ARG I NH2 5351 N N . SER D 86 ? 0.24064 0.32575 0.21959 -0.01434 0.02711 -0.04139 85 SER I N 5352 C CA . SER D 86 ? 0.25025 0.34486 0.24419 0.00603 0.01606 -0.06872 85 SER I CA 5353 C C . SER D 86 ? 0.25637 0.33063 0.22614 0.01752 -0.01242 -0.06148 85 SER I C 5354 O O . SER D 86 ? 0.25302 0.33663 0.25602 -0.01573 -0.00543 -0.05561 85 SER I O 5355 C CB . SER D 86 ? 0.28176 0.36337 0.28936 0.01938 0.02568 -0.09195 85 SER I CB 5356 O OG . SER D 86 ? 0.36435 0.38927 0.31250 0.01408 0.00588 -0.09479 85 SER I OG 5362 N N . LEU D 87 ? 0.25506 0.36085 0.23775 0.03254 -0.01730 -0.06830 86 LEU I N 5363 C CA . LEU D 87 ? 0.24965 0.35924 0.25258 0.00968 -0.02473 -0.05138 86 LEU I CA 5364 C C . LEU D 87 ? 0.25928 0.37176 0.27138 0.00511 -0.02419 -0.04863 86 LEU I C 5365 O O . LEU D 87 ? 0.27644 0.38023 0.26473 -0.02595 -0.01199 -0.03040 86 LEU I O 5366 C CB . LEU D 87 ? 0.26445 0.35388 0.24542 -0.02244 0.01344 -0.03686 86 LEU I CB 5367 C CG . LEU D 87 ? 0.29003 0.35700 0.21485 -0.04063 0.01061 -0.00963 86 LEU I CG 5368 C CD1 . LEU D 87 ? 0.31128 0.36156 0.20437 -0.04562 0.02236 -0.00054 86 LEU I CD1 5369 C CD2 . LEU D 87 ? 0.30028 0.37089 0.21761 -0.04946 0.01003 -0.00150 86 LEU I CD2 5381 N N . ARG D 88 ? 0.26462 0.38696 0.28078 0.04312 -0.02233 -0.08112 87 ARG I N 5382 C CA . ARG D 88 ? 0.30282 0.42290 0.35572 0.01686 -0.03254 -0.09413 87 ARG I CA 5383 C C . ARG D 88 ? 0.24996 0.34870 0.28057 -0.00112 -0.03150 -0.07299 87 ARG I C 5384 O O . ARG D 88 ? 0.26950 0.30653 0.25715 0.00950 -0.02736 -0.02463 87 ARG I O 5385 C CB . ARG D 88 ? 0.47389 0.53195 0.50349 0.04532 -0.05653 -0.09017 87 ARG I CB 5386 C CG . ARG D 88 ? 0.62328 0.63002 0.68314 0.06610 -0.07084 -0.09013 87 ARG I CG 5387 C CD . ARG D 88 ? 0.82596 0.78023 0.84270 0.05559 -0.07989 -0.09545 87 ARG I CD 5388 N NE . ARG D 88 ? 0.87497 0.84973 0.91537 0.04749 -0.09250 -0.09186 87 ARG I NE 5389 C CZ . ARG D 88 ? 0.78107 0.74215 0.88251 0.05485 -0.09971 -0.09050 87 ARG I CZ 5390 N NH1 . ARG D 88 ? 0.80313 0.76707 0.86771 0.04078 -0.08680 -0.10822 87 ARG I NH1 5391 N NH2 . ARG D 88 ? 0.79520 0.75817 0.87814 0.08183 -0.11269 -0.07777 87 ARG I NH2 5405 N N . SER D 89 ? 0.24754 0.38102 0.27546 -0.01989 -0.02100 -0.06488 88 SER I N 5406 C CA . SER D 89 ? 0.27549 0.39906 0.25262 -0.03248 -0.01122 -0.03140 88 SER I CA 5407 C C . SER D 89 ? 0.27925 0.36049 0.25939 -0.02206 -0.02522 -0.00620 88 SER I C 5408 O O . SER D 89 ? 0.23678 0.35965 0.24505 0.00701 -0.05709 0.00276 88 SER I O 5409 C CB . SER D 89 ? 0.29211 0.45733 0.25346 -0.03676 0.01620 0.00343 88 SER I CB 5410 O OG . SER D 89 ? 0.30476 0.50890 0.29573 -0.03960 0.00984 0.01033 88 SER I OG 5416 N N . ASP D 90 ? 0.33326 0.33515 0.28484 -0.00991 -0.02457 0.00716 89 ASP I N 5417 C CA . ASP D 90 ? 0.35616 0.36499 0.32077 -0.00979 -0.00666 0.02678 89 ASP I CA 5418 C C . ASP D 90 ? 0.31293 0.34545 0.24923 -0.02427 -0.01056 0.03708 89 ASP I C 5419 O O . ASP D 90 ? 0.34023 0.39546 0.25167 -0.03487 -0.01510 0.03500 89 ASP I O 5420 C CB . ASP D 90 ? 0.43329 0.44499 0.43567 0.00185 -0.03044 0.03770 89 ASP I CB 5421 C CG . ASP D 90 ? 0.55384 0.51063 0.54240 0.01034 -0.07082 0.03962 89 ASP I CG 5422 O OD1 . ASP D 90 ? 0.48883 0.51634 0.56382 0.02473 -0.13889 0.05402 89 ASP I OD1 5423 O OD2 . ASP D 90 ? 0.74940 0.61330 0.67695 0.01457 -0.05523 0.02298 89 ASP I OD2 5428 N N . ASP D 91 ? 0.28488 0.32541 0.21937 -0.02471 -0.02062 0.00168 90 ASP I N 5429 C CA . ASP D 91 ? 0.26186 0.30773 0.19526 -0.04283 0.01534 -0.02842 90 ASP I CA 5430 C C . ASP D 91 ? 0.24686 0.31063 0.19700 -0.05499 0.03547 -0.03566 90 ASP I C 5431 O O . ASP D 91 ? 0.25722 0.32883 0.21953 -0.04961 0.02603 -0.05117 90 ASP I O 5432 C CB . ASP D 91 ? 0.25234 0.29409 0.21643 -0.05804 -0.01690 -0.01791 90 ASP I CB 5433 C CG . ASP D 91 ? 0.27621 0.31698 0.22688 -0.04235 -0.02915 -0.01156 90 ASP I CG 5434 O OD1 . ASP D 91 ? 0.30295 0.33204 0.24364 -0.04151 0.00178 -0.02363 90 ASP I OD1 5435 O OD2 . ASP D 91 ? 0.30011 0.30317 0.25073 -0.01785 -0.01512 -0.00878 90 ASP I OD2 5440 N N . THR D 92 ? 0.24519 0.32025 0.19877 -0.05908 0.03083 -0.02247 91 THR I N 5441 C CA . THR D 92 ? 0.23249 0.32331 0.20888 -0.06549 0.03719 -0.02950 91 THR I CA 5442 C C . THR D 92 ? 0.24695 0.31731 0.21262 -0.04913 0.01848 -0.03983 91 THR I C 5443 O O . THR D 92 ? 0.27286 0.31463 0.22123 -0.04340 0.00008 -0.02514 91 THR I O 5444 C CB . THR D 92 ? 0.26213 0.32534 0.21657 -0.08825 0.03385 -0.05902 91 THR I CB 5445 O OG1 . THR D 92 ? 0.27735 0.37658 0.21780 -0.04958 0.05195 -0.04695 91 THR I OG1 5446 C CG2 . THR D 92 ? 0.30008 0.30647 0.25275 -0.09024 -0.00227 -0.06550 91 THR I CG2 5454 N N . ALA D 93 ? 0.22804 0.29625 0.20696 -0.07556 0.02064 -0.02555 92 ALA I N 5455 C CA . ALA D 93 ? 0.25094 0.27856 0.19981 -0.06662 0.03284 -0.02026 92 ALA I CA 5456 C C . ALA D 93 ? 0.23915 0.27910 0.20596 -0.06700 0.03442 -0.02667 92 ALA I C 5457 O O . ALA D 93 ? 0.22315 0.26788 0.23152 -0.05748 0.03287 -0.00818 92 ALA I O 5458 C CB . ALA D 93 ? 0.27526 0.28425 0.20678 -0.07110 0.01636 -0.01062 92 ALA I CB 5464 N N . VAL D 94 ? 0.24541 0.28514 0.20997 -0.05531 0.03093 -0.04362 93 VAL I N 5465 C CA . VAL D 94 ? 0.22321 0.25926 0.22903 -0.06763 0.04987 -0.05759 93 VAL I CA 5466 C C . VAL D 94 ? 0.25875 0.27566 0.24211 -0.06968 0.01496 -0.04878 93 VAL I C 5467 O O . VAL D 94 ? 0.24673 0.28844 0.24186 -0.08710 -0.00808 -0.04354 93 VAL I O 5468 C CB . VAL D 94 ? 0.23458 0.25416 0.24409 -0.06490 0.02473 -0.07352 93 VAL I CB 5469 C CG1 . VAL D 94 ? 0.22041 0.32594 0.27854 -0.03925 0.03204 -0.06318 93 VAL I CG1 5470 C CG2 . VAL D 94 ? 0.27884 0.22909 0.24347 -0.08313 0.03270 -0.06753 93 VAL I CG2 5480 N N . TYR D 95 ? 0.23654 0.25907 0.22639 -0.04294 -0.00963 -0.05585 94 TYR I N 5481 C CA . TYR D 95 ? 0.22377 0.27527 0.22297 -0.02512 -0.02032 -0.05776 94 TYR I CA 5482 C C . TYR D 95 ? 0.23355 0.26525 0.23011 -0.04154 0.00341 -0.04338 94 TYR I C 5483 O O . TYR D 95 ? 0.25977 0.24806 0.25500 -0.06068 0.01518 -0.02786 94 TYR I O 5484 C CB . TYR D 95 ? 0.21160 0.30188 0.21185 -0.02365 -0.02568 -0.04923 94 TYR I CB 5485 C CG . TYR D 95 ? 0.21570 0.26802 0.23650 -0.04072 -0.00437 -0.05769 94 TYR I CG 5486 C CD1 . TYR D 95 ? 0.22240 0.26704 0.21087 -0.06133 0.00990 -0.05600 94 TYR I CD1 5487 C CD2 . TYR D 95 ? 0.21158 0.26414 0.27869 -0.01726 0.03811 -0.06520 94 TYR I CD2 5488 C CE1 . TYR D 95 ? 0.23573 0.28665 0.21865 -0.06454 0.01223 -0.04137 94 TYR I CE1 5489 C CE2 . TYR D 95 ? 0.22728 0.25883 0.26386 -0.01788 0.06654 -0.05056 94 TYR I CE2 5490 C CZ . TYR D 95 ? 0.21205 0.28461 0.21916 -0.05598 0.06649 -0.03714 94 TYR I CZ 5491 O OH . TYR D 95 ? 0.23793 0.31087 0.22480 -0.05242 0.04444 -0.04314 94 TYR I OH 5501 N N . TYR D 96 ? 0.20020 0.29307 0.20617 -0.02795 -0.00309 -0.04202 95 TYR I N 5502 C CA . TYR D 96 ? 0.19235 0.27319 0.20663 -0.01405 0.00563 -0.03713 95 TYR I CA 5503 C C . TYR D 96 ? 0.20204 0.19668 0.22322 -0.01303 -0.00796 -0.03449 95 TYR I C 5504 O O . TYR D 96 ? 0.21675 0.18235 0.24376 -0.04957 -0.00715 -0.01683 95 TYR I O 5505 C CB . TYR D 96 ? 0.17828 0.26846 0.22813 -0.03789 -0.00382 -0.04934 95 TYR I CB 5506 C CG . TYR D 96 ? 0.21110 0.26454 0.23581 -0.06303 -0.01029 -0.04818 95 TYR I CG 5507 C CD1 . TYR D 96 ? 0.23645 0.28910 0.23698 -0.06590 0.01096 -0.04471 95 TYR I CD1 5508 C CD2 . TYR D 96 ? 0.22557 0.27113 0.23261 -0.05549 -0.02084 -0.04230 95 TYR I CD2 5509 C CE1 . TYR D 96 ? 0.26139 0.31511 0.25743 -0.04365 0.00545 -0.04853 95 TYR I CE1 5510 C CE2 . TYR D 96 ? 0.23038 0.27829 0.24486 -0.04939 -0.03298 -0.04503 95 TYR I CE2 5511 C CZ . TYR D 96 ? 0.24999 0.28710 0.24696 -0.04406 -0.02219 -0.05254 95 TYR I CZ 5512 O OH . TYR D 96 ? 0.28699 0.30256 0.27349 -0.04131 -0.02696 -0.05592 95 TYR I OH 5522 N N . CYS D 97 ? 0.21379 0.21445 0.23843 -0.04844 -0.00373 0.00763 96 CYS I N 5523 C CA . CYS D 97 ? 0.21651 0.22596 0.25114 -0.06219 -0.00456 0.00965 96 CYS I CA 5524 C C . CYS D 97 ? 0.18609 0.22733 0.24564 -0.03971 -0.02099 -0.01469 96 CYS I C 5525 O O . CYS D 97 ? 0.21386 0.25104 0.26497 -0.03302 0.00745 -0.01323 96 CYS I O 5526 C CB . CYS D 97 ? 0.25197 0.30462 0.26864 -0.05400 -0.01882 0.03400 96 CYS I CB 5527 S SG . CYS D 97 ? 0.25013 0.34157 0.27309 -0.00920 -0.01905 0.03382 96 CYS I SG 5532 N N . ALA D 98 ? 0.16953 0.24384 0.23159 -0.01281 -0.01146 -0.02753 97 ALA I N 5533 C CA . ALA D 98 ? 0.18306 0.25994 0.22598 -0.03731 -0.00720 -0.04217 97 ALA I CA 5534 C C . ALA D 98 ? 0.21022 0.21952 0.22444 -0.01723 -0.00378 -0.05187 97 ALA I C 5535 O O . ALA D 98 ? 0.20087 0.23211 0.23117 -0.02770 0.01185 -0.04791 97 ALA I O 5536 C CB . ALA D 98 ? 0.22998 0.32977 0.24082 -0.06339 -0.02781 -0.06493 97 ALA I CB 5542 N N A ARG D 99 ? 0.18400 0.21668 0.19832 -0.01933 -0.01075 -0.04356 98 ARG I N 5543 N N B ARG D 99 ? 0.20545 0.23230 0.23172 -0.02457 -0.01006 -0.03815 98 ARG I N 5544 C CA A ARG D 99 ? 0.17902 0.20703 0.19881 0.00159 -0.00532 -0.03387 98 ARG I CA 5545 C CA B ARG D 99 ? 0.21589 0.24788 0.23848 -0.01008 -0.01469 -0.01801 98 ARG I CA 5546 C C A ARG D 99 ? 0.18491 0.22851 0.18497 -0.02015 -0.03663 -0.02042 98 ARG I C 5547 C C B ARG D 99 ? 0.20858 0.23905 0.20683 -0.01747 -0.02448 -0.00907 98 ARG I C 5548 O O A ARG D 99 ? 0.20342 0.27376 0.18869 -0.04351 -0.03364 -0.04071 98 ARG I O 5549 O O B ARG D 99 ? 0.22198 0.25166 0.20816 -0.01826 -0.03456 -0.01241 98 ARG I O 5550 C CB A ARG D 99 ? 0.18614 0.24843 0.21971 -0.00838 -0.03613 -0.01787 98 ARG I CB 5551 C CB B ARG D 99 ? 0.23830 0.28519 0.27812 -0.00821 -0.02290 -0.01217 98 ARG I CB 5552 C CG A ARG D 99 ? 0.20437 0.26460 0.24148 0.00643 -0.02924 -0.00667 98 ARG I CG 5553 C CG B ARG D 99 ? 0.27669 0.31715 0.31208 -0.00749 -0.03013 -0.00478 98 ARG I CG 5554 C CD A ARG D 99 ? 0.20756 0.31307 0.27932 0.03986 -0.01977 -0.01308 98 ARG I CD 5555 C CD B ARG D 99 ? 0.30384 0.34292 0.33920 -0.01362 -0.03671 -0.00360 98 ARG I CD 5556 N NE A ARG D 99 ? 0.21797 0.35493 0.28960 0.07712 -0.00063 -0.04254 98 ARG I NE 5557 N NE B ARG D 99 ? 0.32635 0.37115 0.37433 -0.01168 -0.03760 -0.00785 98 ARG I NE 5558 C CZ A ARG D 99 ? 0.27348 0.40410 0.36002 0.08319 -0.02414 -0.03320 98 ARG I CZ 5559 C CZ B ARG D 99 ? 0.35130 0.39231 0.39743 -0.00915 -0.03715 -0.00763 98 ARG I CZ 5560 N NH1 A ARG D 99 ? 0.37276 0.42095 0.44697 0.05649 -0.04080 -0.01598 98 ARG I NH1 5561 N NH1 B ARG D 99 ? 0.36229 0.40549 0.43047 -0.01098 -0.02757 0.00133 98 ARG I NH1 5562 N NH2 A ARG D 99 ? 0.26731 0.42010 0.37075 0.08995 -0.02736 -0.03418 98 ARG I NH2 5563 N NH2 B ARG D 99 ? 0.37184 0.41929 0.43629 -0.01565 -0.04687 -0.00779 98 ARG I NH2 5590 N N . ASP D 100 ? 0.19811 0.23159 0.19747 -0.02964 -0.02024 0.00448 99 ASP I N 5591 C CA . ASP D 100 ? 0.19505 0.24513 0.21207 -0.02531 -0.00238 0.00177 99 ASP I CA 5592 C C . ASP D 100 ? 0.19953 0.25150 0.20798 -0.02337 -0.00815 0.03366 99 ASP I C 5593 O O . ASP D 100 ? 0.19129 0.27876 0.19423 -0.00941 -0.01184 0.01147 99 ASP I O 5594 C CB . ASP D 100 ? 0.19419 0.26231 0.23103 -0.02887 0.00351 0.00987 99 ASP I CB 5595 C CG . ASP D 100 ? 0.20039 0.28064 0.21820 -0.03792 -0.01009 -0.00272 99 ASP I CG 5596 O OD1 . ASP D 100 ? 0.20651 0.23799 0.24956 -0.03491 -0.03327 -0.00141 99 ASP I OD1 5597 O OD2 . ASP D 100 ? 0.21392 0.28935 0.20105 -0.02720 -0.01121 0.01584 99 ASP I OD2 5601 N N . ASN D 101 ? 0.20932 0.24549 0.21063 -0.01120 -0.01698 -0.02636 100 ASN I N 5602 C CA . ASN D 101 ? 0.19103 0.26047 0.20707 -0.02619 -0.04267 -0.01777 100 ASN I CA 5603 C C . ASN D 101 ? 0.21451 0.28472 0.20903 -0.03807 -0.01588 -0.02354 100 ASN I C 5604 O O . ASN D 101 ? 0.21529 0.31794 0.22319 -0.01054 -0.03053 -0.03421 100 ASN I O 5605 C CB . ASN D 101 ? 0.19892 0.28319 0.20222 -0.02441 -0.01419 -0.02412 100 ASN I CB 5606 C CG . ASN D 101 ? 0.26007 0.30648 0.22586 -0.02812 -0.00915 0.00734 100 ASN I CG 5607 O OD1 . ASN D 101 ? 0.25385 0.37272 0.20594 -0.04552 -0.00474 0.03202 100 ASN I OD1 5608 N ND2 . ASN D 101 ? 0.26739 0.30018 0.27470 -0.03235 -0.02252 -0.02293 100 ASN I ND2 5615 N N . LEU D 102 ? 0.19749 0.24659 0.21001 -0.04566 -0.00221 -0.04736 101 LEU I N 5616 C CA . LEU D 102 ? 0.20985 0.25407 0.23085 -0.05971 -0.00080 -0.03485 101 LEU I CA 5617 C C . LEU D 102 ? 0.19438 0.24767 0.23403 -0.03980 -0.00283 -0.03613 101 LEU I C 5618 O O . LEU D 102 ? 0.20133 0.24750 0.22902 -0.02200 0.00380 -0.00417 101 LEU I O 5619 C CB . LEU D 102 ? 0.22494 0.30412 0.25093 -0.05257 0.01525 -0.01152 101 LEU I CB 5620 C CG . LEU D 102 ? 0.25582 0.30933 0.24833 -0.05315 0.04176 -0.02630 101 LEU I CG 5621 C CD1 . LEU D 102 ? 0.26617 0.31240 0.26725 -0.07346 0.09274 -0.03743 101 LEU I CD1 5622 C CD2 . LEU D 102 ? 0.27765 0.30882 0.24351 -0.04429 0.01885 -0.03935 101 LEU I CD2 5634 N N . GLY D 103 ? 0.18132 0.26728 0.23522 -0.02734 -0.00164 -0.04439 102 GLY I N 5635 C CA . GLY D 103 ? 0.19017 0.25849 0.23829 -0.01690 -0.01792 -0.02849 102 GLY I CA 5636 C C . GLY D 103 ? 0.21203 0.24663 0.22932 -0.02096 -0.02954 -0.00235 102 GLY I C 5637 O O . GLY D 103 ? 0.24639 0.25053 0.24479 -0.02319 -0.02122 0.00757 102 GLY I O 5641 N N . TYR D 104 ? 0.21393 0.21817 0.20868 -0.03594 -0.03420 -0.00240 103 TYR I N 5642 C CA . TYR D 104 ? 0.22421 0.19766 0.20957 -0.04080 -0.01423 -0.00331 103 TYR I CA 5643 C C . TYR D 104 ? 0.21920 0.22614 0.25295 -0.05765 -0.03160 -0.00096 103 TYR I C 5644 O O . TYR D 104 ? 0.21550 0.21091 0.25462 -0.03831 -0.03881 -0.00261 103 TYR I O 5645 C CB . TYR D 104 ? 0.25968 0.22590 0.19347 -0.04238 -0.01245 -0.00625 103 TYR I CB 5646 C CG . TYR D 104 ? 0.22593 0.23988 0.20013 -0.02780 -0.02834 0.00442 103 TYR I CG 5647 C CD1 . TYR D 104 ? 0.22495 0.24644 0.22029 -0.00593 -0.03097 0.02618 103 TYR I CD1 5648 C CD2 . TYR D 104 ? 0.19858 0.23105 0.17107 -0.02873 0.00322 0.00014 103 TYR I CD2 5649 C CE1 . TYR D 104 ? 0.22662 0.25113 0.20565 -0.03044 -0.01148 0.01313 103 TYR I CE1 5650 C CE2 . TYR D 104 ? 0.17820 0.24342 0.17717 -0.02685 0.00627 0.00776 103 TYR I CE2 5651 C CZ . TYR D 104 ? 0.19293 0.26058 0.17975 -0.02629 -0.02170 -0.00378 103 TYR I CZ 5652 O OH . TYR D 104 ? 0.21355 0.28559 0.18653 -0.02015 -0.02515 0.00199 103 TYR I OH 5662 N N . CYS D 105 ? 0.23199 0.30812 0.29276 -0.03926 -0.04780 0.00642 104 CYS I N 5663 C CA . CYS D 105 ? 0.20361 0.32714 0.33720 -0.02951 -0.05427 0.00797 104 CYS I CA 5664 C C . CYS D 105 ? 0.26096 0.32475 0.38271 -0.02171 -0.07017 -0.05173 104 CYS I C 5665 O O . CYS D 105 ? 0.27391 0.32109 0.41820 -0.03602 -0.04927 -0.04481 104 CYS I O 5666 C CB . CYS D 105 ? 0.18871 0.39104 0.32253 -0.04469 -0.07299 0.02518 104 CYS I CB 5667 S SG . CYS D 105 ? 0.23766 0.41011 0.31017 -0.04178 -0.03365 0.05587 104 CYS I SG 5672 N N . SER D 106 ? 0.22217 0.31045 0.35052 0.03442 -0.04267 -0.05965 105 SER I N 5673 C CA . SER D 106 ? 0.22794 0.31382 0.32892 0.05707 -0.01658 -0.06545 105 SER I CA 5674 C C . SER D 106 ? 0.24251 0.32114 0.32447 0.03748 0.00292 -0.05603 105 SER I C 5675 O O . SER D 106 ? 0.23244 0.33599 0.30814 -0.00393 0.00312 -0.04122 105 SER I O 5676 C CB . SER D 106 ? 0.31585 0.34216 0.32435 0.04603 -0.02329 -0.07248 105 SER I CB 5677 O OG . SER D 106 ? 0.37122 0.38399 0.32061 0.03451 -0.02772 -0.07598 105 SER I OG 5680 N N . GLY D 107 ? 0.28170 0.31642 0.34009 0.00490 0.01019 -0.04393 106 GLY I N 5681 C CA . GLY D 107 ? 0.26071 0.31171 0.33356 0.01357 0.00224 -0.04249 106 GLY I CA 5682 C C . GLY D 107 ? 0.23171 0.32004 0.30976 0.02030 0.00097 -0.02529 106 GLY I C 5683 O O . GLY D 107 ? 0.27621 0.35973 0.35701 0.01686 0.01345 -0.02991 106 GLY I O 5687 N N . GLY D 108 ? 0.22794 0.31676 0.27155 0.01897 -0.01680 -0.00301 107 GLY I N 5688 C CA . GLY D 108 ? 0.19316 0.26929 0.26961 0.01477 -0.03158 0.02872 107 GLY I CA 5689 C C . GLY D 108 ? 0.17857 0.20998 0.25771 -0.00733 -0.02445 0.03627 107 GLY I C 5690 O O . GLY D 108 ? 0.20257 0.23005 0.24123 -0.02397 -0.03090 0.00751 107 GLY I O 5694 N N . SER D 109 ? 0.19832 0.22845 0.22578 0.00948 -0.02531 0.03842 108 SER I N 5695 C CA . SER D 109 ? 0.19379 0.23698 0.17977 -0.00609 -0.00002 0.02147 108 SER I CA 5696 C C . SER D 109 ? 0.18321 0.23973 0.22680 -0.03436 -0.02331 0.00190 108 SER I C 5697 O O . SER D 109 ? 0.20278 0.23905 0.26198 -0.04331 -0.00449 0.01264 108 SER I O 5698 C CB . SER D 109 ? 0.24139 0.28135 0.18318 0.00973 0.04549 -0.00175 108 SER I CB 5699 O OG . SER D 109 ? 0.26948 0.29910 0.21865 0.00406 0.02451 -0.00307 108 SER I OG 5702 N N . CYS D 110 ? 0.17556 0.23236 0.19565 -0.01981 -0.03589 0.00883 109 CYS I N 5703 C CA . CYS D 110 ? 0.16408 0.26293 0.20698 -0.01113 -0.01198 0.04013 109 CYS I CA 5704 C C . CYS D 110 ? 0.15708 0.25494 0.18695 -0.03114 0.00613 0.02312 109 CYS I C 5705 O O . CYS D 110 ? 0.19330 0.28259 0.20162 -0.03809 0.00412 0.03874 109 CYS I O 5706 C CB . CYS D 110 ? 0.19163 0.35218 0.23019 -0.02073 -0.01867 0.08862 109 CYS I CB 5707 S SG . CYS D 110 ? 0.25733 0.40733 0.26342 0.00122 -0.02080 0.04891 109 CYS I SG 5712 N N . TYR D 111 ? 0.17444 0.25548 0.16521 -0.04133 0.01035 0.02078 110 TYR I N 5713 C CA . TYR D 111 ? 0.18959 0.26324 0.14995 -0.04381 0.00583 0.00031 110 TYR I CA 5714 C C . TYR D 111 ? 0.20265 0.24934 0.15117 -0.01945 0.00635 0.01273 110 TYR I C 5715 O O . TYR D 111 ? 0.21877 0.25077 0.14720 -0.02352 -0.00244 0.00764 110 TYR I O 5716 C CB . TYR D 111 ? 0.19434 0.26561 0.15487 -0.03738 0.00250 -0.01641 110 TYR I CB 5717 C CG . TYR D 111 ? 0.19354 0.27710 0.16555 -0.04145 0.00733 -0.00864 110 TYR I CG 5718 C CD1 . TYR D 111 ? 0.22594 0.30903 0.16904 -0.04479 0.01134 -0.01536 110 TYR I CD1 5719 C CD2 . TYR D 111 ? 0.21165 0.29459 0.16760 -0.04641 0.00141 -0.01582 110 TYR I CD2 5720 C CE1 . TYR D 111 ? 0.23915 0.28305 0.18269 -0.03731 0.02314 -0.02054 110 TYR I CE1 5721 C CE2 . TYR D 111 ? 0.23302 0.29795 0.19108 -0.04388 0.01880 -0.00909 110 TYR I CE2 5722 C CZ . TYR D 111 ? 0.21756 0.26720 0.18484 -0.02728 0.03773 -0.02354 110 TYR I CZ 5723 O OH . TYR D 111 ? 0.23595 0.27695 0.21580 -0.02108 0.04432 -0.02468 110 TYR I OH 5733 N N . SER D 112 ? 0.19936 0.25654 0.14247 0.00084 0.00175 -0.01078 111 SER I N 5734 C CA . SER D 112 ? 0.20748 0.25273 0.12727 0.00293 0.00859 0.00184 111 SER I CA 5735 C C . SER D 112 ? 0.21110 0.25035 0.13396 0.00201 0.00358 -0.00188 111 SER I C 5736 O O . SER D 112 ? 0.22548 0.26503 0.15462 -0.00234 0.01655 -0.00653 111 SER I O 5737 C CB . SER D 112 ? 0.23783 0.30292 0.13402 0.00484 -0.02144 0.02445 111 SER I CB 5738 O OG . SER D 112 ? 0.20716 0.32980 0.15667 0.00353 -0.01465 -0.02566 111 SER I OG 5744 N N . ASP D 113 ? 0.20468 0.22314 0.15589 0.00824 -0.01541 -0.00773 112 ASP I N 5745 C CA . ASP D 113 ? 0.23132 0.25111 0.16380 0.02372 0.00711 -0.02018 112 ASP I CA 5746 C C . ASP D 113 ? 0.20715 0.26036 0.16721 0.02155 0.02296 -0.03978 112 ASP I C 5747 O O . ASP D 113 ? 0.21729 0.26744 0.17634 0.01770 0.01795 -0.02300 112 ASP I O 5748 C CB . ASP D 113 ? 0.24319 0.28036 0.17144 0.02344 -0.01067 -0.01286 112 ASP I CB 5749 C CG . ASP D 113 ? 0.31108 0.29708 0.19730 0.02080 0.00557 0.00278 112 ASP I CG 5750 O OD1 . ASP D 113 ? 0.35835 0.29388 0.21135 -0.01160 -0.00047 0.00743 112 ASP I OD1 5751 O OD2 . ASP D 113 ? 0.34991 0.34283 0.23520 -0.01179 0.00552 0.01197 112 ASP I OD2 5756 N N . TYR D 114 ? 0.20141 0.28496 0.16365 -0.01475 0.00975 -0.01614 113 TYR I N 5757 C CA . TYR D 114 ? 0.21587 0.29803 0.19990 -0.03117 -0.01637 -0.03348 113 TYR I CA 5758 C C . TYR D 114 ? 0.26038 0.27522 0.20400 -0.00092 -0.02328 -0.00907 113 TYR I C 5759 O O . TYR D 114 ? 0.31125 0.29660 0.21627 0.02168 -0.04311 -0.01693 113 TYR I O 5760 C CB . TYR D 114 ? 0.24393 0.32329 0.22018 -0.07094 -0.00571 -0.04052 113 TYR I CB 5761 C CG . TYR D 114 ? 0.31211 0.36228 0.25107 -0.08102 0.01103 -0.02245 113 TYR I CG 5762 C CD1 . TYR D 114 ? 0.37634 0.37534 0.26213 -0.04846 0.00469 -0.00836 113 TYR I CD1 5763 C CD2 . TYR D 114 ? 0.32684 0.37992 0.25473 -0.08708 0.03827 -0.03067 113 TYR I CD2 5764 C CE1 . TYR D 114 ? 0.40071 0.39109 0.28102 -0.04640 0.00440 -0.01153 113 TYR I CE1 5765 C CE2 . TYR D 114 ? 0.33881 0.40982 0.24176 -0.09059 0.04116 -0.01404 113 TYR I CE2 5766 C CZ . TYR D 114 ? 0.40093 0.43345 0.28679 -0.08396 0.03150 -0.00576 113 TYR I CZ 5767 O OH . TYR D 114 ? 0.42265 0.45086 0.31093 -0.09792 0.05116 0.00880 113 TYR I OH 5777 N N . TYR D 115 ? 0.21335 0.25914 0.17630 -0.00719 -0.00428 0.00681 114 TYR I N 5778 C CA . TYR D 115 ? 0.18258 0.26020 0.18613 -0.03631 -0.01974 0.01943 114 TYR I CA 5779 C C . TYR D 115 ? 0.16541 0.23685 0.18585 -0.00120 -0.01698 0.02690 114 TYR I C 5780 O O . TYR D 115 ? 0.17405 0.23621 0.20535 -0.00224 -0.02556 0.01379 114 TYR I O 5781 C CB . TYR D 115 ? 0.21488 0.24862 0.17970 -0.01782 -0.00271 0.01385 114 TYR I CB 5782 C CG . TYR D 115 ? 0.23007 0.26456 0.18256 -0.00451 -0.02576 0.01262 114 TYR I CG 5783 C CD1 . TYR D 115 ? 0.22608 0.26462 0.21118 0.01050 -0.03197 0.03335 114 TYR I CD1 5784 C CD2 . TYR D 115 ? 0.25410 0.25589 0.16611 -0.00297 -0.01337 0.00486 114 TYR I CD2 5785 C CE1 . TYR D 115 ? 0.23917 0.26372 0.21674 0.00104 -0.03803 0.01327 114 TYR I CE1 5786 C CE2 . TYR D 115 ? 0.26723 0.25562 0.19321 -0.03175 -0.01393 0.01106 114 TYR I CE2 5787 C CZ . TYR D 115 ? 0.24119 0.22326 0.17368 -0.02545 -0.02346 0.01068 114 TYR I CZ 5788 O OH . TYR D 115 ? 0.28953 0.26442 0.18360 -0.01293 -0.05297 -0.00485 114 TYR I OH 5798 N N . TYR D 116 ? 0.20109 0.24263 0.19616 0.01276 0.00486 0.02666 115 TYR I N 5799 C CA . TYR D 116 ? 0.20233 0.24675 0.18641 -0.00155 0.02843 0.00690 115 TYR I CA 5800 C C . TYR D 116 ? 0.21321 0.25530 0.19996 -0.00548 0.00298 -0.01158 115 TYR I C 5801 O O . TYR D 116 ? 0.22882 0.27619 0.20816 0.01082 -0.02133 -0.00488 115 TYR I O 5802 C CB . TYR D 116 ? 0.18866 0.26723 0.18720 0.01604 0.00943 0.00806 115 TYR I CB 5803 C CG . TYR D 116 ? 0.19101 0.25112 0.18564 -0.03388 0.00205 0.01535 115 TYR I CG 5804 C CD1 . TYR D 116 ? 0.20618 0.28829 0.19071 -0.03889 -0.01286 0.02948 115 TYR I CD1 5805 C CD2 . TYR D 116 ? 0.20873 0.26399 0.18066 -0.03146 0.01330 0.02448 115 TYR I CD2 5806 C CE1 . TYR D 116 ? 0.22397 0.31900 0.19813 -0.02577 -0.01957 0.03217 115 TYR I CE1 5807 C CE2 . TYR D 116 ? 0.19777 0.29938 0.18864 -0.04261 0.01379 0.02742 115 TYR I CE2 5808 C CZ . TYR D 116 ? 0.22630 0.31458 0.18510 -0.03727 -0.00904 0.03377 115 TYR I CZ 5809 O OH . TYR D 116 ? 0.23605 0.32297 0.19313 -0.04035 -0.00539 0.04534 115 TYR I OH 5819 N N . TYR D 117 ? 0.20942 0.23895 0.17872 0.00145 -0.00120 0.01785 116 TYR I N 5820 C CA . TYR D 117 ? 0.19967 0.23385 0.17692 -0.00208 0.02338 -0.00456 116 TYR I CA 5821 C C . TYR D 117 ? 0.22402 0.22597 0.17337 -0.02671 0.00093 -0.01314 116 TYR I C 5822 O O . TYR D 117 ? 0.22746 0.25700 0.20004 -0.03517 0.02490 -0.02299 116 TYR I O 5823 C CB . TYR D 117 ? 0.19535 0.25577 0.19427 0.00266 0.00629 0.02323 116 TYR I CB 5824 C CG . TYR D 117 ? 0.22090 0.32285 0.22038 -0.03791 0.01853 0.01528 116 TYR I CG 5825 C CD1 . TYR D 117 ? 0.26130 0.35942 0.25823 -0.07021 0.06995 0.03123 116 TYR I CD1 5826 C CD2 . TYR D 117 ? 0.23465 0.39416 0.24967 -0.04399 0.01546 -0.04381 116 TYR I CD2 5827 C CE1 . TYR D 117 ? 0.29005 0.39873 0.26604 -0.03911 0.11534 0.00148 116 TYR I CE1 5828 C CE2 . TYR D 117 ? 0.26258 0.42795 0.24669 -0.05028 0.04847 -0.05307 116 TYR I CE2 5829 C CZ . TYR D 117 ? 0.28177 0.42395 0.24828 -0.04393 0.08330 -0.03988 116 TYR I CZ 5830 O OH . TYR D 117 ? 0.29805 0.46106 0.27264 -0.09496 0.06017 -0.05296 116 TYR I OH 5840 N N . TYR D 118 ? 0.22733 0.24506 0.18657 -0.03053 -0.00017 -0.01495 117 TYR I N 5841 C CA . TYR D 118 ? 0.23352 0.26464 0.20762 -0.00941 -0.01318 -0.03188 117 TYR I CA 5842 C C . TYR D 118 ? 0.19715 0.24429 0.20499 0.00716 -0.03172 -0.03631 117 TYR I C 5843 O O . TYR D 118 ? 0.23236 0.24237 0.20477 -0.02131 -0.03149 -0.00760 117 TYR I O 5844 C CB . TYR D 118 ? 0.24955 0.31283 0.21424 0.00354 -0.05168 -0.03960 117 TYR I CB 5845 C CG . TYR D 118 ? 0.24882 0.35384 0.20569 0.03829 -0.04161 -0.07178 117 TYR I CG 5846 C CD1 . TYR D 118 ? 0.26755 0.39698 0.19217 0.00707 -0.05380 -0.08727 117 TYR I CD1 5847 C CD2 . TYR D 118 ? 0.24060 0.35795 0.22361 0.04484 -0.05300 -0.05525 117 TYR I CD2 5848 C CE1 . TYR D 118 ? 0.28091 0.40881 0.19917 0.03986 -0.04249 -0.07104 117 TYR I CE1 5849 C CE2 . TYR D 118 ? 0.25716 0.38903 0.24470 0.04891 -0.05132 -0.04076 117 TYR I CE2 5850 C CZ . TYR D 118 ? 0.27197 0.41065 0.23446 0.07494 -0.04144 -0.04105 117 TYR I CZ 5851 O OH . TYR D 118 ? 0.32242 0.44697 0.26699 0.07182 -0.04630 -0.05736 117 TYR I OH 5861 N N . MET D 119 ? 0.19571 0.26335 0.20633 -0.01366 -0.04035 -0.02504 118 MET I N 5862 C CA . MET D 119 ? 0.19659 0.26519 0.21704 -0.02145 -0.01971 -0.01011 118 MET I CA 5863 C C . MET D 119 ? 0.18232 0.26273 0.22803 -0.01613 -0.01329 -0.00735 118 MET I C 5864 O O . MET D 119 ? 0.17536 0.26591 0.22994 -0.00536 -0.01438 -0.02282 118 MET I O 5865 C CB . MET D 119 ? 0.22084 0.25373 0.23145 -0.02440 -0.00448 0.00058 118 MET I CB 5866 C CG . MET D 119 ? 0.25794 0.28896 0.25230 -0.00536 -0.00642 -0.00946 118 MET I CG 5867 S SD . MET D 119 ? 0.26837 0.33520 0.27813 0.03451 0.02367 0.00013 118 MET I SD 5868 C CE . MET D 119 ? 0.27194 0.34428 0.29456 0.04019 0.04264 0.01427 118 MET I CE 5878 N N . ASP D 120 ? 0.18599 0.25914 0.24259 0.01330 -0.00774 -0.00708 119 ASP I N 5879 C CA . ASP D 120 ? 0.20842 0.25849 0.26945 -0.00755 -0.01758 -0.02443 119 ASP I CA 5880 C C . ASP D 120 ? 0.25771 0.28700 0.29771 -0.02293 -0.03383 -0.02156 119 ASP I C 5881 O O . ASP D 120 ? 0.38024 0.35041 0.33382 -0.00667 -0.02983 -0.03585 119 ASP I O 5882 C CB . ASP D 120 ? 0.18922 0.30815 0.29048 0.02040 -0.01249 -0.02513 119 ASP I CB 5883 C CG . ASP D 120 ? 0.19711 0.32027 0.31734 0.02416 -0.00108 -0.02095 119 ASP I CG 5884 O OD1 . ASP D 120 ? 0.20327 0.32108 0.31963 -0.00943 -0.01832 -0.03990 119 ASP I OD1 5885 O OD2 . ASP D 120 ? 0.22921 0.33727 0.32100 0.02364 -0.01423 -0.01260 119 ASP I OD2 5890 N N . VAL D 121 ? 0.20602 0.26764 0.29336 -0.01804 -0.00722 -0.02095 120 VAL I N 5891 C CA . VAL D 121 ? 0.20578 0.25972 0.27725 0.00004 0.01512 -0.01940 120 VAL I CA 5892 C C . VAL D 121 ? 0.18934 0.24989 0.24768 -0.00556 0.02128 -0.01791 120 VAL I C 5893 O O . VAL D 121 ? 0.22973 0.25494 0.28956 0.01847 0.00299 -0.03153 120 VAL I O 5894 C CB . VAL D 121 ? 0.18998 0.27853 0.27045 -0.01174 -0.00623 0.00022 120 VAL I CB 5895 C CG1 . VAL D 121 ? 0.25818 0.26489 0.27412 -0.00655 -0.00034 0.02815 120 VAL I CG1 5896 C CG2 . VAL D 121 ? 0.19676 0.33668 0.30928 0.01824 -0.03123 0.00764 120 VAL I CG2 5906 N N . TRP D 122 ? 0.20429 0.28595 0.24248 -0.02531 0.01662 -0.03174 121 TRP I N 5907 C CA . TRP D 122 ? 0.23122 0.28931 0.25073 -0.02718 0.01690 -0.02528 121 TRP I CA 5908 C C . TRP D 122 ? 0.23763 0.26063 0.28502 -0.03489 0.00478 -0.02601 121 TRP I C 5909 O O . TRP D 122 ? 0.23904 0.26098 0.29527 -0.01991 -0.01307 -0.02951 121 TRP I O 5910 C CB . TRP D 122 ? 0.22957 0.27406 0.25064 -0.04861 0.00633 -0.03126 121 TRP I CB 5911 C CG . TRP D 122 ? 0.22578 0.24889 0.23946 -0.04342 0.00093 -0.03313 121 TRP I CG 5912 C CD1 . TRP D 122 ? 0.24632 0.22431 0.24277 -0.04682 0.00029 -0.02576 121 TRP I CD1 5913 C CD2 . TRP D 122 ? 0.20334 0.25909 0.22474 -0.01832 -0.01160 -0.03230 121 TRP I CD2 5914 N NE1 . TRP D 122 ? 0.23408 0.25513 0.23209 -0.04242 0.01058 -0.02033 121 TRP I NE1 5915 C CE2 . TRP D 122 ? 0.21912 0.26972 0.23166 -0.03837 -0.00504 -0.02759 121 TRP I CE2 5916 C CE3 . TRP D 122 ? 0.21027 0.26996 0.21793 -0.01804 -0.00309 -0.05240 121 TRP I CE3 5917 C CZ2 . TRP D 122 ? 0.19256 0.27296 0.22976 -0.05879 -0.00748 -0.02047 121 TRP I CZ2 5918 C CZ3 . TRP D 122 ? 0.20254 0.26885 0.22687 -0.02641 -0.00636 -0.04037 121 TRP I CZ3 5919 C CH2 . TRP D 122 ? 0.17614 0.27618 0.22953 -0.03937 -0.01129 -0.02744 121 TRP I CH2 5930 N N . GLY D 123 ? 0.22477 0.24607 0.30296 -0.03608 0.00567 -0.01342 122 GLY I N 5931 C CA . GLY D 123 ? 0.20079 0.26226 0.29322 -0.04579 -0.00967 -0.01688 122 GLY I CA 5932 C C . GLY D 123 ? 0.22056 0.25725 0.28564 -0.01577 0.00453 -0.03071 122 GLY I C 5933 O O . GLY D 123 ? 0.24535 0.23787 0.29025 -0.01333 0.00500 -0.03358 122 GLY I O 5937 N N . GLN D 124 ? 0.24390 0.24042 0.27373 -0.03849 0.00703 -0.02951 123 GLN I N 5938 C CA . GLN D 124 ? 0.27613 0.25010 0.28420 -0.06158 0.02471 -0.00740 123 GLN I CA 5939 C C . GLN D 124 ? 0.27820 0.24670 0.28584 -0.04879 0.02693 -0.02800 123 GLN I C 5940 O O . GLN D 124 ? 0.27978 0.27339 0.32593 -0.04716 0.02204 -0.05015 123 GLN I O 5941 C CB . GLN D 124 ? 0.29715 0.27819 0.29801 -0.06617 0.02453 0.00352 123 GLN I CB 5942 C CG . GLN D 124 ? 0.30227 0.30664 0.30169 -0.05526 0.01767 -0.00659 123 GLN I CG 5943 C CD . GLN D 124 ? 0.28096 0.30256 0.30454 -0.03967 0.02208 0.00887 123 GLN I CD 5944 O OE1 . GLN D 124 ? 0.27486 0.29351 0.31746 -0.02764 0.00979 0.01007 123 GLN I OE1 5945 N NE2 . GLN D 124 ? 0.34896 0.32860 0.35165 -0.02154 0.03046 0.00656 123 GLN I NE2 5954 N N . GLY D 125 ? 0.27557 0.24479 0.27578 -0.02121 0.03046 -0.02429 124 GLY I N 5955 C CA . GLY D 125 ? 0.26635 0.25818 0.27685 -0.03245 0.04854 -0.03647 124 GLY I CA 5956 C C . GLY D 125 ? 0.27360 0.26743 0.29730 -0.04684 0.06412 -0.02059 124 GLY I C 5957 O O . GLY D 125 ? 0.28636 0.30221 0.33091 -0.03164 0.05127 -0.01829 124 GLY I O 5961 N N . THR D 126 ? 0.24843 0.25453 0.27324 -0.04970 0.06252 -0.04674 125 THR I N 5962 C CA . THR D 126 ? 0.23864 0.26162 0.27773 -0.03621 0.05938 -0.04299 125 THR I CA 5963 C C . THR D 126 ? 0.23821 0.26438 0.28630 -0.05085 0.03514 -0.03053 125 THR I C 5964 O O . THR D 126 ? 0.24539 0.24698 0.26561 -0.05988 0.02183 -0.02521 125 THR I O 5965 C CB . THR D 126 ? 0.25333 0.28457 0.27370 -0.01789 0.06455 -0.04603 125 THR I CB 5966 O OG1 . THR D 126 ? 0.25805 0.29893 0.30447 -0.01605 0.04227 -0.03014 125 THR I OG1 5967 C CG2 . THR D 126 ? 0.31569 0.31525 0.25400 -0.02998 0.06347 -0.03103 125 THR I CG2 5975 N N . LEU D 127 ? 0.25934 0.30204 0.28491 -0.05612 0.03441 -0.00350 126 LEU I N 5976 C CA . LEU D 127 ? 0.27480 0.29859 0.30297 -0.06951 0.05022 -0.01172 126 LEU I CA 5977 C C . LEU D 127 ? 0.25724 0.27121 0.28945 -0.06555 0.03437 -0.01264 126 LEU I C 5978 O O . LEU D 127 ? 0.28912 0.30632 0.27344 -0.04433 0.03628 -0.01026 126 LEU I O 5979 C CB . LEU D 127 ? 0.27943 0.32285 0.33131 -0.09966 0.05485 -0.02350 126 LEU I CB 5980 C CG . LEU D 127 ? 0.29072 0.35659 0.34185 -0.09678 0.05162 -0.05188 126 LEU I CG 5981 C CD1 . LEU D 127 ? 0.28577 0.36078 0.29782 -0.08222 0.04976 -0.06006 126 LEU I CD1 5982 C CD2 . LEU D 127 ? 0.39721 0.44743 0.44130 -0.09195 0.05198 -0.04828 126 LEU I CD2 5994 N N . VAL D 128 ? 0.23718 0.23333 0.28401 -0.04807 0.04651 -0.02879 127 VAL I N 5995 C CA . VAL D 128 ? 0.21795 0.27796 0.25426 -0.04913 0.04266 -0.01931 127 VAL I CA 5996 C C . VAL D 128 ? 0.24025 0.29506 0.22624 -0.04188 0.04171 -0.01383 127 VAL I C 5997 O O . VAL D 128 ? 0.26192 0.29512 0.23092 -0.05925 0.03222 -0.00462 127 VAL I O 5998 C CB . VAL D 128 ? 0.25626 0.30786 0.24952 -0.05329 0.02285 -0.01379 127 VAL I CB 5999 C CG1 . VAL D 128 ? 0.29598 0.28071 0.27596 -0.00141 0.01726 -0.01173 127 VAL I CG1 6000 C CG2 . VAL D 128 ? 0.25215 0.34558 0.23437 -0.08813 0.01344 -0.01729 127 VAL I CG2 6010 N N . THR D 129 ? 0.24734 0.31299 0.22640 -0.05031 0.04244 -0.02101 128 THR I N 6011 C CA . THR D 129 ? 0.23387 0.30585 0.23926 -0.05793 0.07455 -0.01963 128 THR I CA 6012 C C . THR D 129 ? 0.26333 0.29030 0.23751 -0.07106 0.08568 -0.01067 128 THR I C 6013 O O . THR D 129 ? 0.31172 0.31061 0.22089 -0.04063 0.08485 0.01680 128 THR I O 6014 C CB . THR D 129 ? 0.20880 0.30795 0.26894 -0.04600 0.05426 -0.01896 128 THR I CB 6015 O OG1 . THR D 129 ? 0.23994 0.34323 0.31008 -0.05483 0.05609 -0.04251 128 THR I OG1 6016 C CG2 . THR D 129 ? 0.24463 0.33441 0.29205 -0.02850 0.05120 0.00739 128 THR I CG2 6024 N N . VAL D 130 ? 0.27206 0.28323 0.26003 -0.07758 0.07795 -0.02341 129 VAL I N 6025 C CA . VAL D 130 ? 0.26576 0.30464 0.25611 -0.06678 0.07790 -0.03068 129 VAL I CA 6026 C C . VAL D 130 ? 0.24710 0.33195 0.27079 -0.04242 0.06736 -0.01932 129 VAL I C 6027 O O . VAL D 130 ? 0.28849 0.34742 0.26892 -0.03410 0.03242 -0.02438 129 VAL I O 6028 C CB . VAL D 130 ? 0.26488 0.32962 0.24836 -0.05823 0.06770 0.00412 129 VAL I CB 6029 C CG1 . VAL D 130 ? 0.24989 0.34261 0.24720 -0.04499 0.04545 0.01363 129 VAL I CG1 6030 C CG2 . VAL D 130 ? 0.25994 0.34384 0.26250 -0.04489 0.07797 -0.01141 129 VAL I CG2 6040 N N . SER D 131 ? 0.24302 0.34392 0.28693 -0.06623 0.06355 -0.00798 130 SER I N 6041 C CA . SER D 131 ? 0.28258 0.37225 0.29572 -0.06693 0.07881 0.00556 130 SER I CA 6042 C C . SER D 131 ? 0.31632 0.41850 0.30711 -0.03736 0.05591 -0.00972 130 SER I C 6043 O O . SER D 131 ? 0.28732 0.42722 0.29270 -0.01530 0.00727 -0.00112 130 SER I O 6044 C CB . SER D 131 ? 0.33492 0.36130 0.30710 -0.06573 0.06058 0.01905 130 SER I CB 6045 O OG . SER D 131 ? 0.32647 0.37450 0.30781 -0.05941 0.06695 0.03155 130 SER I OG 6051 N N . SER D 132 ? 0.34273 0.46840 0.35333 -0.05714 0.09880 -0.05383 131 SER I N 6052 C CA . SER D 132 ? 0.41620 0.53314 0.44487 -0.04159 0.10160 -0.09136 131 SER I CA 6053 C C . SER D 132 ? 0.42201 0.55193 0.50810 -0.00889 0.11066 -0.13152 131 SER I C 6054 O O . SER D 132 ? 0.38090 0.50602 0.44924 -0.03805 0.12826 -0.13853 131 SER I O 6055 C CB . SER D 132 ? 0.44708 0.58138 0.50627 -0.06744 0.07956 -0.08608 131 SER I CB 6056 O OG . SER D 132 ? 0.46873 0.61108 0.57684 -0.04886 0.03870 -0.08998 131 SER I OG 6062 N N . GLY D 133 ? 0.43436 0.55924 0.52645 0.02096 0.07839 -0.12368 132 GLY I N 6063 C CA . GLY D 133 ? 0.47395 0.61609 0.59087 0.03439 0.06884 -0.10211 132 GLY I CA 6064 C C . GLY D 133 ? 0.52438 0.65866 0.62294 0.00519 0.07452 -0.08030 132 GLY I C 6065 O O . GLY D 133 ? 0.48444 0.60478 0.58426 0.01934 0.05508 -0.06854 132 GLY I O 6069 N N . GLY D 134 ? 0.62282 0.77911 0.75136 -0.03390 0.09732 -0.07626 133 GLY I N 6070 C CA . GLY D 134 ? 0.74994 0.88500 0.85821 -0.04611 0.10374 -0.08227 133 GLY I CA 6071 C C . GLY D 134 ? 0.76011 0.88473 0.87031 -0.05202 0.10180 -0.08970 133 GLY I C 6072 O O . GLY D 134 ? 0.80466 0.92420 0.87950 -0.05675 0.10361 -0.09848 133 GLY I O 6076 N N . ALA E 2 ? 0.64797 0.65142 0.52303 0.17372 -0.00198 -0.11283 145 ALA M N 6077 C CA . ALA E 2 ? 0.62097 0.63270 0.51372 0.15940 0.00669 -0.11238 145 ALA M CA 6078 C C . ALA E 2 ? 0.58224 0.60551 0.48058 0.16654 0.03593 -0.11493 145 ALA M C 6079 O O . ALA E 2 ? 0.57121 0.62250 0.48083 0.19205 0.04677 -0.11944 145 ALA M O 6081 N N . SER E 3 ? 0.59110 0.62888 0.52284 0.14529 0.04118 -0.08912 146 SER M N 6082 C CA . SER E 3 ? 0.58564 0.63856 0.51741 0.15975 0.02581 -0.07717 146 SER M CA 6083 C C . SER E 3 ? 0.47900 0.53310 0.41525 0.18719 0.00392 -0.05631 146 SER M C 6084 O O . SER E 3 ? 0.41101 0.49366 0.43892 0.20039 0.00257 -0.05334 146 SER M O 6085 C CB . SER E 3 ? 0.70055 0.79104 0.66313 0.15081 0.01639 -0.09319 146 SER M CB 6086 O OG . SER E 3 ? 0.82915 0.94537 0.79022 0.15332 0.00581 -0.10002 146 SER M OG 6092 N N . ASN E 4 ? 0.43083 0.46218 0.29880 0.19218 -0.02732 -0.03997 147 ASN M N 6093 C CA . ASN E 4 ? 0.38636 0.39282 0.24802 0.17067 -0.06429 -0.01673 147 ASN M CA 6094 C C . ASN E 4 ? 0.36087 0.39698 0.24517 0.16530 -0.04410 -0.00927 147 ASN M C 6095 O O . ASN E 4 ? 0.37545 0.41992 0.26093 0.16848 -0.03307 0.00730 147 ASN M O 6096 C CB . ASN E 4 ? 0.40848 0.37725 0.25311 0.11035 -0.05612 -0.02695 147 ASN M CB 6097 C CG . ASN E 4 ? 0.41058 0.37632 0.24121 0.08754 -0.04731 -0.01286 147 ASN M CG 6098 O OD1 . ASN E 4 ? 0.44974 0.38603 0.27330 0.09561 -0.05048 -0.03690 147 ASN M OD1 6099 N ND2 . ASN E 4 ? 0.36196 0.40449 0.23823 0.06965 -0.03811 0.04495 147 ASN M ND2 6106 N N . PHE E 5 ? 0.36417 0.38615 0.22671 0.12021 0.00301 -0.03222 148 PHE M N 6107 C CA . PHE E 5 ? 0.33604 0.34225 0.21422 0.11046 0.03271 -0.02020 148 PHE M CA 6108 C C . PHE E 5 ? 0.35110 0.36862 0.22713 0.10547 0.01414 -0.00069 148 PHE M C 6109 O O . PHE E 5 ? 0.31738 0.33672 0.23051 0.10042 0.01074 0.01529 148 PHE M O 6110 C CB . PHE E 5 ? 0.34292 0.33234 0.21052 0.08279 0.03895 0.00384 148 PHE M CB 6111 C CG . PHE E 5 ? 0.35148 0.31454 0.20092 0.10022 0.00884 0.00781 148 PHE M CG 6112 C CD1 . PHE E 5 ? 0.35331 0.32385 0.20818 0.09298 -0.01447 -0.01810 148 PHE M CD1 6113 C CD2 . PHE E 5 ? 0.36920 0.32528 0.18861 0.11551 0.00638 0.02219 148 PHE M CD2 6114 C CE1 . PHE E 5 ? 0.36850 0.32278 0.20841 0.08703 -0.04372 -0.03412 148 PHE M CE1 6115 C CE2 . PHE E 5 ? 0.37663 0.33766 0.18262 0.11192 -0.01520 0.00171 148 PHE M CE2 6116 C CZ . PHE E 5 ? 0.34431 0.32913 0.19371 0.09949 -0.03886 -0.03366 148 PHE M CZ 6126 N N . MET E 6 ? 0.33680 0.39216 0.21884 0.10733 0.00185 -0.01463 149 MET M N 6127 C CA . MET E 6 ? 0.37197 0.40611 0.24940 0.13069 0.00107 -0.03498 149 MET M CA 6128 C C . MET E 6 ? 0.30869 0.38896 0.21006 0.12229 -0.00445 -0.01897 149 MET M C 6129 O O . MET E 6 ? 0.30270 0.40419 0.21114 0.07742 -0.01126 -0.01665 149 MET M O 6130 C CB . MET E 6 ? 0.39662 0.47286 0.33999 0.17547 -0.02103 -0.05067 149 MET M CB 6131 C CG . MET E 6 ? 0.41617 0.57298 0.43822 0.20602 -0.03785 -0.03511 149 MET M CG 6132 S SD . MET E 6 ? 0.48222 0.65748 0.51887 0.19944 -0.02814 -0.02389 149 MET M SD 6133 C CE . MET E 6 ? 0.61065 0.75283 0.62074 0.18213 -0.03124 -0.02221 149 MET M CE 6143 N N . LEU E 7 ? 0.29166 0.37695 0.18630 0.12633 -0.01683 -0.03959 150 LEU M N 6144 C CA . LEU E 7 ? 0.27222 0.36488 0.18852 0.10287 -0.03191 -0.01924 150 LEU M CA 6145 C C . LEU E 7 ? 0.24688 0.35973 0.19102 0.07814 -0.02519 0.00442 150 LEU M C 6146 O O . LEU E 7 ? 0.26736 0.36716 0.20256 0.04074 -0.03387 0.00252 150 LEU M O 6147 C CB . LEU E 7 ? 0.25388 0.34287 0.18872 0.07010 -0.05214 -0.02520 150 LEU M CB 6148 C CG . LEU E 7 ? 0.26043 0.35593 0.19590 0.03391 -0.06440 -0.02835 150 LEU M CG 6149 C CD1 . LEU E 7 ? 0.27293 0.37854 0.18765 0.05467 -0.07417 -0.02452 150 LEU M CD1 6150 C CD2 . LEU E 7 ? 0.26635 0.35472 0.21143 0.03915 -0.05602 -0.02329 150 LEU M CD2 6162 N N . THR E 8 ? 0.23608 0.38155 0.18580 0.07814 -0.03088 0.00446 151 THR M N 6163 C CA . THR E 8 ? 0.24761 0.41666 0.20579 0.09470 -0.02075 -0.00472 151 THR M CA 6164 C C . THR E 8 ? 0.23853 0.41935 0.19741 0.08384 -0.02215 -0.02112 151 THR M C 6165 O O . THR E 8 ? 0.25621 0.42977 0.20662 0.06847 0.00312 -0.02869 151 THR M O 6166 C CB . THR E 8 ? 0.24773 0.42843 0.25267 0.14311 -0.04075 -0.02074 151 THR M CB 6167 O OG1 . THR E 8 ? 0.28790 0.47086 0.28702 0.16195 -0.00241 -0.02035 151 THR M OG1 6168 C CG2 . THR E 8 ? 0.31220 0.44779 0.30430 0.13390 -0.04262 -0.03992 151 THR M CG2 6176 N N . GLN E 9 ? 0.26273 0.41737 0.19834 0.09506 -0.03652 -0.01925 152 GLN M N 6177 C CA . GLN E 9 ? 0.26891 0.41351 0.23126 0.10588 -0.03847 -0.04993 152 GLN M CA 6178 C C . GLN E 9 ? 0.26234 0.43530 0.20137 0.07415 -0.03504 -0.05480 152 GLN M C 6179 O O . GLN E 9 ? 0.27095 0.46062 0.21685 0.06708 -0.03623 -0.06447 152 GLN M O 6180 C CB . GLN E 9 ? 0.27998 0.41607 0.27902 0.12614 -0.08119 -0.07432 152 GLN M CB 6181 C CG . GLN E 9 ? 0.32436 0.42449 0.26591 0.14068 -0.08008 -0.07191 152 GLN M CG 6182 C CD . GLN E 9 ? 0.24789 0.40665 0.21974 0.12562 -0.03898 -0.07375 152 GLN M CD 6183 O OE1 . GLN E 9 ? 0.24537 0.43624 0.17890 0.07092 -0.04443 -0.06661 152 GLN M OE1 6184 N NE2 . GLN E 9 ? 0.21445 0.40629 0.21474 0.06451 -0.01423 -0.07302 152 GLN M NE2 6193 N N . PRO E 10 ? 0.26894 0.44021 0.21064 0.08103 -0.03528 -0.06732 153 PRO M N 6194 C CA . PRO E 10 ? 0.27013 0.45302 0.23118 0.07157 -0.03803 -0.10076 153 PRO M CA 6195 C C . PRO E 10 ? 0.20114 0.47003 0.26270 0.06242 -0.02289 -0.11018 153 PRO M C 6196 O O . PRO E 10 ? 0.19043 0.46983 0.27282 0.08688 -0.02844 -0.08046 153 PRO M O 6197 C CB . PRO E 10 ? 0.31548 0.47194 0.22162 0.05514 -0.03783 -0.09414 153 PRO M CB 6198 C CG . PRO E 10 ? 0.29573 0.47971 0.21904 0.04223 0.01150 -0.07750 153 PRO M CG 6199 C CD . PRO E 10 ? 0.28236 0.45153 0.21042 0.06188 -0.01308 -0.06017 153 PRO M CD 6207 N N . ARG E 11 ? 0.16353 0.49362 0.28639 0.00365 -0.02482 -0.15124 154 ARG M N 6208 C CA . ARG E 11 ? 0.19331 0.53669 0.30510 0.00347 -0.00461 -0.14610 154 ARG M CA 6209 C C . ARG E 11 ? 0.21039 0.50779 0.27384 0.03632 -0.02346 -0.10640 154 ARG M C 6210 O O . ARG E 11 ? 0.22696 0.50533 0.25133 0.01426 -0.01746 -0.09427 154 ARG M O 6211 C CB . ARG E 11 ? 0.21496 0.59434 0.35080 -0.00424 -0.00810 -0.15748 154 ARG M CB 6212 C CG . ARG E 11 ? 0.35730 0.65914 0.40518 -0.01541 -0.00783 -0.13805 154 ARG M CG 6213 C CD . ARG E 11 ? 0.37557 0.70420 0.39324 -0.03995 0.02633 -0.13772 154 ARG M CD 6214 N NE . ARG E 11 ? 0.39851 0.74213 0.38963 -0.04443 0.09218 -0.15845 154 ARG M NE 6215 C CZ . ARG E 11 ? 0.47506 0.77224 0.47336 -0.07478 0.08154 -0.15689 154 ARG M CZ 6216 N NH1 . ARG E 11 ? 0.45103 0.78835 0.46629 -0.09162 0.05689 -0.16479 154 ARG M NH1 6217 N NH2 . ARG E 11 ? 0.54395 0.81869 0.50939 -0.06099 0.11890 -0.15228 154 ARG M NH2 6231 N N . SER E 12 ? 0.21374 0.47459 0.23643 0.06434 -0.01049 -0.09274 155 SER M N 6232 C CA . SER E 12 ? 0.23983 0.45947 0.24016 0.06984 -0.03606 -0.07770 155 SER M CA 6233 C C . SER E 12 ? 0.22886 0.42272 0.23639 0.09046 -0.07604 -0.05685 155 SER M C 6234 O O . SER E 12 ? 0.25409 0.42593 0.23856 0.08640 -0.08473 -0.05067 155 SER M O 6235 C CB . SER E 12 ? 0.27036 0.49358 0.26631 0.04187 -0.04754 -0.07266 155 SER M CB 6236 O OG . SER E 12 ? 0.32588 0.53371 0.29675 0.00628 -0.03936 -0.05063 155 SER M OG 6242 N N . VAL E 13 ? 0.21020 0.39687 0.22973 0.08376 -0.07368 -0.08869 156 VAL M N 6243 C CA . VAL E 13 ? 0.23705 0.40429 0.23328 0.05780 -0.06672 -0.07882 156 VAL M CA 6244 C C . VAL E 13 ? 0.20899 0.38907 0.20414 0.04116 -0.05699 -0.08900 156 VAL M C 6245 O O . VAL E 13 ? 0.20032 0.38419 0.22088 0.00307 -0.04870 -0.08238 156 VAL M O 6246 C CB . VAL E 13 ? 0.27788 0.42320 0.23722 0.02840 -0.03935 -0.08965 156 VAL M CB 6247 C CG1 . VAL E 13 ? 0.30049 0.44396 0.22704 0.02192 -0.06144 -0.07082 156 VAL M CG1 6248 C CG2 . VAL E 13 ? 0.31441 0.42817 0.25927 0.01628 -0.02519 -0.09528 156 VAL M CG2 6258 N N . SER E 14 ? 0.21155 0.38938 0.20958 0.05186 -0.02164 -0.09159 157 SER M N 6259 C CA . SER E 14 ? 0.21690 0.38214 0.22697 0.05804 -0.03083 -0.07050 157 SER M CA 6260 C C . SER E 14 ? 0.19551 0.36434 0.21430 0.06360 -0.05587 -0.07407 157 SER M C 6261 O O . SER E 14 ? 0.23960 0.37986 0.23456 0.06334 -0.05280 -0.07083 157 SER M O 6262 C CB . SER E 14 ? 0.19518 0.40762 0.24361 0.05847 -0.00547 -0.06698 157 SER M CB 6263 O OG . SER E 14 ? 0.22612 0.45042 0.27783 0.02871 -0.01764 -0.06529 157 SER M OG 6269 N N . GLU E 15 ? 0.18923 0.35654 0.22154 0.03593 -0.04683 -0.07339 158 GLU M N 6270 C CA . GLU E 15 ? 0.18989 0.36808 0.23377 -0.00338 -0.01411 -0.07591 158 GLU M CA 6271 C C . GLU E 15 ? 0.20272 0.35683 0.24682 -0.01117 -0.00486 -0.10060 158 GLU M C 6272 O O . GLU E 15 ? 0.21112 0.35131 0.27148 -0.02117 -0.01821 -0.09403 158 GLU M O 6273 C CB . GLU E 15 ? 0.20833 0.40447 0.22836 -0.00916 -0.01191 -0.07325 158 GLU M CB 6274 C CG . GLU E 15 ? 0.24501 0.42576 0.23179 -0.01024 -0.00671 -0.08438 158 GLU M CG 6275 C CD . GLU E 15 ? 0.29494 0.45753 0.25808 -0.00712 -0.00316 -0.07009 158 GLU M CD 6276 O OE1 . GLU E 15 ? 0.29914 0.45675 0.28043 0.00877 0.00563 -0.04223 158 GLU M OE1 6277 O OE2 . GLU E 15 ? 0.33202 0.45271 0.26708 -0.00881 -0.00644 -0.08404 158 GLU M OE2 6284 N N . SER E 16 ? 0.20934 0.36968 0.24456 -0.00922 -0.01045 -0.12341 159 SER M N 6285 C CA . SER E 16 ? 0.19380 0.40224 0.26173 -0.00810 -0.00204 -0.12611 159 SER M CA 6286 C C . SER E 16 ? 0.19208 0.40376 0.29976 -0.00497 -0.01675 -0.12807 159 SER M C 6287 O O . SER E 16 ? 0.19305 0.38928 0.28601 -0.02285 -0.02033 -0.12645 159 SER M O 6288 C CB . SER E 16 ? 0.19734 0.42790 0.26008 -0.00355 -0.00239 -0.14271 159 SER M CB 6289 O OG . SER E 16 ? 0.21599 0.44145 0.27232 0.00032 -0.01400 -0.11632 159 SER M OG 6295 N N . PRO E 17 ? 0.21078 0.41441 0.32822 0.01307 -0.01643 -0.13684 160 PRO M N 6296 C CA . PRO E 17 ? 0.22350 0.43612 0.33643 0.03478 -0.02030 -0.13309 160 PRO M CA 6297 C C . PRO E 17 ? 0.22701 0.44291 0.34270 0.03384 0.00733 -0.13440 160 PRO M C 6298 O O . PRO E 17 ? 0.23953 0.41717 0.34587 0.01528 -0.01803 -0.14441 160 PRO M O 6299 C CB . PRO E 17 ? 0.25682 0.46347 0.35410 0.03590 -0.03872 -0.10150 160 PRO M CB 6300 C CG . PRO E 17 ? 0.29758 0.48026 0.39122 0.04092 -0.00922 -0.09100 160 PRO M CG 6301 C CD . PRO E 17 ? 0.22605 0.44607 0.36249 0.02885 -0.01835 -0.11382 160 PRO M CD 6309 N N . GLY E 18 ? 0.21740 0.44596 0.31785 0.02271 0.03420 -0.13422 161 GLY M N 6310 C CA . GLY E 18 ? 0.23607 0.48828 0.34224 0.02394 0.04224 -0.12944 161 GLY M CA 6311 C C . GLY E 18 ? 0.24080 0.49376 0.33004 0.00996 0.00918 -0.15000 161 GLY M C 6312 O O . GLY E 18 ? 0.25510 0.54211 0.34969 0.00426 0.02384 -0.14002 161 GLY M O 6316 N N . LYS E 19 ? 0.23859 0.48541 0.33227 -0.01023 -0.03242 -0.18212 162 LYS M N 6317 C CA . LYS E 19 ? 0.25122 0.50399 0.33852 -0.00352 -0.02683 -0.18468 162 LYS M CA 6318 C C . LYS E 19 ? 0.23100 0.47419 0.28736 0.00751 -0.01735 -0.13215 162 LYS M C 6319 O O . LYS E 19 ? 0.27543 0.47035 0.27847 -0.01426 -0.03949 -0.08759 162 LYS M O 6320 C CB . LYS E 19 ? 0.31736 0.56128 0.38786 -0.03143 -0.05054 -0.18725 162 LYS M CB 6321 C CG . LYS E 19 ? 0.43912 0.66261 0.49015 -0.06215 -0.06904 -0.18553 162 LYS M CG 6322 C CD . LYS E 19 ? 0.59015 0.77487 0.55281 -0.05829 -0.06120 -0.14576 162 LYS M CD 6323 C CE . LYS E 19 ? 0.74456 0.90510 0.63943 -0.04098 -0.03580 -0.10742 162 LYS M CE 6324 N NZ . LYS E 19 ? 0.82427 0.94859 0.66729 -0.02850 -0.03028 -0.09335 162 LYS M NZ 6338 N N . THR E 20 ? 0.20858 0.47771 0.26820 0.00120 -0.01302 -0.13780 163 THR M N 6339 C CA . THR E 20 ? 0.19898 0.45736 0.26267 -0.00598 0.01594 -0.15418 163 THR M CA 6340 C C . THR E 20 ? 0.20016 0.45547 0.25056 -0.01407 -0.00681 -0.12254 163 THR M C 6341 O O . THR E 20 ? 0.24588 0.49650 0.26980 0.00501 -0.00416 -0.11430 163 THR M O 6342 C CB . THR E 20 ? 0.24335 0.46995 0.29400 -0.01353 0.00014 -0.15273 163 THR M CB 6343 O OG1 . THR E 20 ? 0.28287 0.47814 0.28576 -0.01144 0.02304 -0.15578 163 THR M OG1 6344 C CG2 . THR E 20 ? 0.24774 0.47004 0.32544 -0.02165 -0.00218 -0.15908 163 THR M CG2 6352 N N . VAL E 21 ? 0.19280 0.42557 0.21255 -0.02408 0.00655 -0.08648 164 VAL M N 6353 C CA . VAL E 21 ? 0.19711 0.43443 0.19919 -0.00937 0.01480 -0.07139 164 VAL M CA 6354 C C . VAL E 21 ? 0.20955 0.42941 0.21032 -0.01305 -0.00062 -0.07014 164 VAL M C 6355 O O . VAL E 21 ? 0.22130 0.41132 0.22604 -0.01307 -0.03183 -0.08968 164 VAL M O 6356 C CB . VAL E 21 ? 0.20885 0.47768 0.23691 0.02389 0.02638 -0.05682 164 VAL M CB 6357 C CG1 . VAL E 21 ? 0.23436 0.49576 0.25981 0.04442 -0.00153 -0.07028 164 VAL M CG1 6358 C CG2 . VAL E 21 ? 0.25115 0.48915 0.23999 0.01578 0.04057 -0.05168 164 VAL M CG2 6368 N N . THR E 22 ? 0.20694 0.44536 0.18548 -0.02000 -0.00810 -0.07759 165 THR M N 6369 C CA . THR E 22 ? 0.20685 0.45704 0.20224 0.01929 -0.00060 -0.09862 165 THR M CA 6370 C C . THR E 22 ? 0.19436 0.46423 0.22098 0.05501 -0.01834 -0.08730 165 THR M C 6371 O O . THR E 22 ? 0.20367 0.49444 0.24406 0.05388 -0.03447 -0.09232 165 THR M O 6372 C CB . THR E 22 ? 0.28403 0.49105 0.24110 -0.00731 0.01064 -0.10852 165 THR M CB 6373 O OG1 . THR E 22 ? 0.34727 0.52170 0.28966 -0.00626 0.03413 -0.07588 165 THR M OG1 6374 C CG2 . THR E 22 ? 0.30995 0.53606 0.25897 0.00136 -0.02112 -0.11233 165 THR M CG2 6382 N N . ILE E 23 ? 0.18817 0.46082 0.19974 0.04159 -0.04242 -0.08847 166 ILE M N 6383 C CA . ILE E 23 ? 0.18882 0.45102 0.18306 0.04075 -0.02017 -0.08875 166 ILE M CA 6384 C C . ILE E 23 ? 0.20806 0.47316 0.18521 0.01885 0.00548 -0.08988 166 ILE M C 6385 O O . ILE E 23 ? 0.21524 0.52376 0.20957 0.01772 0.00376 -0.08390 166 ILE M O 6386 C CB . ILE E 23 ? 0.20493 0.41988 0.19750 0.01332 -0.00140 -0.08078 166 ILE M CB 6387 C CG1 . ILE E 23 ? 0.24728 0.42045 0.22764 0.01932 -0.00719 -0.07302 166 ILE M CG1 6388 C CG2 . ILE E 23 ? 0.24013 0.42544 0.24121 0.02095 -0.00498 -0.08721 166 ILE M CG2 6389 C CD1 . ILE E 23 ? 0.22937 0.41354 0.23519 0.01002 -0.00485 -0.05938 166 ILE M CD1 6401 N N . SER E 24 ? 0.21753 0.44753 0.21184 0.01572 0.02239 -0.09134 167 SER M N 6402 C CA . SER E 24 ? 0.22457 0.46275 0.25035 0.02270 0.01187 -0.09476 167 SER M CA 6403 C C . SER E 24 ? 0.23492 0.42391 0.26173 0.04798 0.00520 -0.06991 167 SER M C 6404 O O . SER E 24 ? 0.27806 0.42554 0.26819 0.01965 0.02463 -0.08928 167 SER M O 6405 C CB . SER E 24 ? 0.25818 0.50491 0.26747 0.00723 0.03202 -0.09791 167 SER M CB 6406 O OG . SER E 24 ? 0.36195 0.55273 0.31526 -0.02479 0.03260 -0.07415 167 SER M OG 6412 N N A CYS E 25 ? 0.26810 0.43361 0.27187 0.06293 0.00357 -0.05040 168 CYS M N 6413 N N B CYS E 25 ? 0.24112 0.40822 0.23328 0.08078 0.00243 -0.06107 168 CYS M N 6414 C CA A CYS E 25 ? 0.27864 0.43605 0.27614 0.06090 -0.01620 -0.03663 168 CYS M CA 6415 C CA B CYS E 25 ? 0.26717 0.41397 0.21664 0.08036 -0.02041 -0.05402 168 CYS M CA 6416 C C A CYS E 25 ? 0.27178 0.41663 0.25029 0.08435 -0.00749 -0.04083 168 CYS M C 6417 C C B CYS E 25 ? 0.26427 0.41594 0.22271 0.09424 -0.01209 -0.03282 168 CYS M C 6418 O O A CYS E 25 ? 0.25964 0.41060 0.25918 0.08463 0.00471 -0.04984 168 CYS M O 6419 O O B CYS E 25 ? 0.28976 0.44883 0.23614 0.08616 -0.02458 -0.01279 168 CYS M O 6420 C CB A CYS E 25 ? 0.31233 0.46870 0.29969 0.03211 -0.01663 -0.02899 168 CYS M CB 6421 C CB B CYS E 25 ? 0.32723 0.44400 0.22580 0.08536 -0.02513 -0.07247 168 CYS M CB 6422 S SG A CYS E 25 ? 0.24897 0.43522 0.23646 0.02319 -0.00653 -0.01554 168 CYS M SG 6423 S SG B CYS E 25 ? 0.32196 0.44665 0.24734 0.07299 -0.05045 -0.06448 168 CYS M SG 6432 N N . THR E 26 ? 0.27416 0.40389 0.22821 0.09198 -0.01476 -0.03657 169 THR M N 6433 C CA . THR E 26 ? 0.29387 0.39475 0.20757 0.08606 -0.03273 -0.03119 169 THR M CA 6434 C C . THR E 26 ? 0.28603 0.36145 0.19426 0.08531 -0.03129 -0.01896 169 THR M C 6435 O O . THR E 26 ? 0.30763 0.34566 0.20850 0.08827 -0.02070 -0.01986 169 THR M O 6436 C CB . THR E 26 ? 0.31267 0.40678 0.21382 0.08208 -0.04349 -0.01374 169 THR M CB 6437 O OG1 . THR E 26 ? 0.35588 0.39478 0.22616 0.07691 -0.04535 -0.03509 169 THR M OG1 6438 C CG2 . THR E 26 ? 0.31146 0.43890 0.23222 0.10282 -0.04695 0.01857 169 THR M CG2 6447 N N . ARG E 27 ? 0.28990 0.34251 0.20050 0.08327 -0.01569 -0.01056 170 ARG M N 6448 C CA . ARG E 27 ? 0.28729 0.34259 0.20252 0.10336 -0.00279 0.01410 170 ARG M CA 6449 C C . ARG E 27 ? 0.32775 0.38151 0.21230 0.11527 0.01496 0.02646 170 ARG M C 6450 O O . ARG E 27 ? 0.33666 0.40231 0.22574 0.09082 0.01241 0.01818 170 ARG M O 6451 C CB . ARG E 27 ? 0.29943 0.33842 0.22635 0.11917 0.00144 0.00116 170 ARG M CB 6452 C CG . ARG E 27 ? 0.29874 0.31133 0.22242 0.10573 0.00818 -0.01137 170 ARG M CG 6453 C CD . ARG E 27 ? 0.30416 0.31439 0.23921 0.08566 0.00451 -0.03141 170 ARG M CD 6454 N NE . ARG E 27 ? 0.30655 0.30844 0.21880 0.06585 -0.01882 -0.03523 170 ARG M NE 6455 C CZ . ARG E 27 ? 0.34895 0.29885 0.22089 0.05843 -0.01648 -0.00933 170 ARG M CZ 6456 N NH1 . ARG E 27 ? 0.34310 0.25042 0.22195 0.06350 -0.03454 -0.00901 170 ARG M NH1 6457 N NH2 . ARG E 27 ? 0.39411 0.32509 0.22390 0.05229 0.00571 0.01425 170 ARG M NH2 6471 N N . SER E 28 ? 0.35289 0.37612 0.23598 0.16151 -0.02072 0.03253 171 SER M N 6472 C CA . SER E 28 ? 0.37122 0.35414 0.23935 0.16138 -0.01953 0.01087 171 SER M CA 6473 C C . SER E 28 ? 0.39852 0.38378 0.27205 0.16387 -0.06477 0.01789 171 SER M C 6474 O O . SER E 28 ? 0.41874 0.39598 0.30361 0.14427 -0.07176 0.02004 171 SER M O 6475 C CB . SER E 28 ? 0.37311 0.38071 0.24663 0.15630 -0.02929 -0.01261 171 SER M CB 6476 O OG . SER E 28 ? 0.37593 0.40119 0.22624 0.17850 -0.03838 -0.01841 171 SER M OG 6482 N N . SER E 29 ? 0.40488 0.40965 0.25366 0.16449 -0.05945 0.02588 172 SER M N 6483 C CA . SER E 29 ? 0.44458 0.40485 0.28673 0.15822 -0.04265 0.02003 172 SER M CA 6484 C C . SER E 29 ? 0.43664 0.37276 0.30139 0.13755 -0.04813 0.00189 172 SER M C 6485 O O . SER E 29 ? 0.40842 0.34840 0.26265 0.14184 -0.03024 -0.00044 172 SER M O 6486 C CB . SER E 29 ? 0.48562 0.42623 0.32255 0.17346 -0.04152 0.02558 172 SER M CB 6487 O OG . SER E 29 ? 0.52186 0.42775 0.36316 0.15204 -0.02770 -0.01440 172 SER M OG 6493 N N . GLY E 30 ? 0.41593 0.34871 0.32660 0.11908 -0.05327 -0.02405 173 GLY M N 6494 C CA . GLY E 30 ? 0.44721 0.35687 0.32599 0.09038 -0.02923 -0.03781 173 GLY M CA 6495 C C . GLY E 30 ? 0.44177 0.35964 0.27592 0.07411 -0.04790 -0.03259 173 GLY M C 6496 O O . GLY E 30 ? 0.49030 0.41093 0.27281 0.04529 -0.04914 -0.05183 173 GLY M O 6500 N N A SER E 31 ? 0.44604 0.36786 0.28315 0.06787 -0.04246 -0.00933 174 SER M N 6501 N N B SER E 31 ? 0.44689 0.35734 0.27453 0.08478 -0.05194 -0.00379 174 SER M N 6502 C CA A SER E 31 ? 0.44041 0.37519 0.28244 0.05618 -0.03692 0.00686 174 SER M CA 6503 C CA B SER E 31 ? 0.43594 0.35010 0.26040 0.08578 -0.04477 0.01316 174 SER M CA 6504 C C A SER E 31 ? 0.39385 0.35265 0.25642 0.06053 -0.03413 0.01029 174 SER M C 6505 C C B SER E 31 ? 0.38629 0.34810 0.24549 0.08605 -0.02528 0.01582 174 SER M C 6506 O O A SER E 31 ? 0.37711 0.34671 0.24211 0.06025 -0.02542 0.01144 174 SER M O 6507 O O B SER E 31 ? 0.37849 0.35564 0.22244 0.08214 -0.00303 0.01628 174 SER M O 6508 C CB A SER E 31 ? 0.47193 0.38427 0.28147 0.04104 -0.02961 0.01095 174 SER M CB 6509 C CB B SER E 31 ? 0.48851 0.33510 0.26713 0.08916 -0.04012 0.02198 174 SER M CB 6510 O OG A SER E 31 ? 0.46772 0.39082 0.29828 0.03294 -0.02680 0.01659 174 SER M OG 6511 O OG B SER E 31 ? 0.50109 0.35880 0.30841 0.10910 -0.05203 0.03185 174 SER M OG 6522 N N . ILE E 32 ? 0.36430 0.34934 0.23415 0.06248 -0.04736 0.00088 175 ILE M N 6523 C CA . ILE E 32 ? 0.32663 0.34601 0.22238 0.06182 -0.04176 0.00502 175 ILE M CA 6524 C C . ILE E 32 ? 0.32223 0.37432 0.22596 0.06533 -0.02365 0.02514 175 ILE M C 6525 O O . ILE E 32 ? 0.29148 0.37113 0.19885 0.07550 -0.03101 0.00455 175 ILE M O 6526 C CB . ILE E 32 ? 0.33098 0.34271 0.21270 0.06831 -0.03693 -0.00886 175 ILE M CB 6527 C CG1 . ILE E 32 ? 0.31869 0.34787 0.20087 0.06494 -0.03026 -0.02316 175 ILE M CG1 6528 C CG2 . ILE E 32 ? 0.35548 0.31497 0.21724 0.07344 -0.02210 -0.00452 175 ILE M CG2 6529 C CD1 . ILE E 32 ? 0.34449 0.36477 0.22452 0.08234 -0.02025 -0.01076 175 ILE M CD1 6542 N N . GLY E 33 ? 0.31362 0.38876 0.22149 0.05076 0.00514 0.03966 176 GLY M N 6543 C CA . GLY E 33 ? 0.32349 0.38675 0.19517 0.03042 -0.00913 0.05114 176 GLY M CA 6544 C C . GLY E 33 ? 0.30434 0.39740 0.22511 0.03721 -0.01649 0.06245 176 GLY M C 6545 O O . GLY E 33 ? 0.30576 0.42434 0.25856 0.04555 -0.00951 0.05215 176 GLY M O 6549 N N . SER E 34 ? 0.32050 0.36979 0.22024 0.01501 -0.01057 0.04700 177 SER M N 6550 C CA . SER E 34 ? 0.34357 0.32646 0.20642 0.02140 -0.00110 0.02137 177 SER M CA 6551 C C . SER E 34 ? 0.30858 0.28556 0.20088 0.00759 -0.01425 0.01455 177 SER M C 6552 O O . SER E 34 ? 0.32168 0.28738 0.21661 0.01453 0.00366 0.02089 177 SER M O 6553 C CB . SER E 34 ? 0.42479 0.30743 0.22941 0.07055 -0.02189 0.04608 177 SER M CB 6554 O OG . SER E 34 ? 0.46054 0.32524 0.27169 0.07084 -0.02307 0.04033 177 SER M OG 6560 N N . ASP E 35 ? 0.30917 0.27943 0.19061 0.02328 -0.02618 -0.00171 178 ASP M N 6561 C CA . ASP E 35 ? 0.27761 0.26758 0.19548 0.04587 -0.02602 -0.00822 178 ASP M CA 6562 C C . ASP E 35 ? 0.25653 0.30060 0.20338 0.03089 -0.03837 -0.03725 178 ASP M C 6563 O O . ASP E 35 ? 0.25556 0.29888 0.20505 -0.00403 -0.05702 -0.02156 178 ASP M O 6564 C CB . ASP E 35 ? 0.31502 0.26087 0.20451 0.04649 -0.02897 -0.00939 178 ASP M CB 6565 C CG . ASP E 35 ? 0.30799 0.25398 0.19343 0.01161 -0.02655 -0.01451 178 ASP M CG 6566 O OD1 . ASP E 35 ? 0.30067 0.27235 0.18837 -0.00976 -0.03280 -0.02495 178 ASP M OD1 6567 O OD2 . ASP E 35 ? 0.34290 0.26999 0.20653 0.00622 -0.02314 -0.00896 178 ASP M OD2 6572 N N . TYR E 36 ? 0.24682 0.27724 0.22633 0.04217 -0.03121 -0.06167 179 TYR M N 6573 C CA . TYR E 36 ? 0.29481 0.30188 0.23089 0.05387 -0.07275 -0.04739 179 TYR M CA 6574 C C . TYR E 36 ? 0.24848 0.30003 0.19819 0.04611 -0.06374 -0.02922 179 TYR M C 6575 O O . TYR E 36 ? 0.27183 0.27284 0.18579 0.03165 -0.04646 -0.03474 179 TYR M O 6576 C CB . TYR E 36 ? 0.31524 0.33351 0.28422 0.06135 -0.07361 -0.02048 179 TYR M CB 6577 C CG . TYR E 36 ? 0.37365 0.42359 0.36766 0.01634 -0.04448 -0.01325 179 TYR M CG 6578 C CD1 . TYR E 36 ? 0.37093 0.42273 0.34841 0.01568 -0.00517 -0.01288 179 TYR M CD1 6579 C CD2 . TYR E 36 ? 0.41287 0.48561 0.41047 -0.02314 -0.05502 -0.02673 179 TYR M CD2 6580 C CE1 . TYR E 36 ? 0.40762 0.46727 0.37280 0.00416 -0.04613 -0.02418 179 TYR M CE1 6581 C CE2 . TYR E 36 ? 0.49075 0.55657 0.50128 -0.04624 -0.04286 -0.03554 179 TYR M CE2 6582 C CZ . TYR E 36 ? 0.44383 0.52537 0.46495 -0.02965 -0.05624 -0.03703 179 TYR M CZ 6583 O OH . TYR E 36 ? 0.40529 0.55628 0.42725 -0.03632 -0.07865 -0.05590 179 TYR M OH 6593 N N . VAL E 37 ? 0.22797 0.31269 0.19722 0.01956 -0.02248 -0.03176 180 VAL M N 6594 C CA . VAL E 37 ? 0.22713 0.32338 0.15928 0.00843 -0.01590 -0.02825 180 VAL M CA 6595 C C . VAL E 37 ? 0.21820 0.35174 0.17128 0.01010 -0.01918 -0.03843 180 VAL M C 6596 O O . VAL E 37 ? 0.20589 0.35033 0.19430 0.02103 -0.02511 -0.03076 180 VAL M O 6597 C CB . VAL E 37 ? 0.25770 0.32893 0.17237 0.02830 -0.03965 -0.01872 180 VAL M CB 6598 C CG1 . VAL E 37 ? 0.22743 0.33947 0.16362 0.04302 -0.04350 -0.03012 180 VAL M CG1 6599 C CG2 . VAL E 37 ? 0.28757 0.31747 0.18180 0.02647 -0.05314 0.00191 180 VAL M CG2 6609 N N . HIS E 38 ? 0.20326 0.33250 0.16397 0.02784 -0.01816 -0.04224 181 HIS M N 6610 C CA . HIS E 38 ? 0.19308 0.32671 0.16979 0.02322 -0.03060 -0.02515 181 HIS M CA 6611 C C . HIS E 38 ? 0.20727 0.32963 0.20012 0.02062 -0.02749 -0.02598 181 HIS M C 6612 O O . HIS E 38 ? 0.19637 0.32120 0.19563 0.05635 -0.02644 -0.02603 181 HIS M O 6613 C CB . HIS E 38 ? 0.21873 0.31044 0.17461 0.03901 -0.04405 -0.04307 181 HIS M CB 6614 C CG . HIS E 38 ? 0.21778 0.32459 0.18301 0.05177 -0.06187 -0.03599 181 HIS M CG 6615 N ND1 . HIS E 38 ? 0.22943 0.33853 0.19568 0.04290 -0.05654 -0.02940 181 HIS M ND1 6616 C CD2 . HIS E 38 ? 0.22438 0.34423 0.17363 0.04621 -0.03323 -0.04978 181 HIS M CD2 6617 C CE1 . HIS E 38 ? 0.26468 0.35554 0.18605 0.02384 -0.04316 -0.02567 181 HIS M CE1 6618 N NE2 . HIS E 38 ? 0.24724 0.34694 0.18762 0.02732 -0.04897 -0.05448 181 HIS M NE2 6626 N N . TRP E 39 ? 0.18333 0.32886 0.19631 0.02116 -0.02714 -0.03900 182 TRP M N 6627 C CA . TRP E 39 ? 0.18575 0.31249 0.17928 0.02131 -0.03707 -0.04606 182 TRP M CA 6628 C C . TRP E 39 ? 0.16588 0.31257 0.18439 0.01415 -0.05347 -0.04054 182 TRP M C 6629 O O . TRP E 39 ? 0.16882 0.33619 0.20822 0.02473 -0.02186 -0.04779 182 TRP M O 6630 C CB . TRP E 39 ? 0.19746 0.31330 0.18317 0.03587 -0.03890 -0.03827 182 TRP M CB 6631 C CG . TRP E 39 ? 0.23496 0.32251 0.15550 0.03196 -0.02893 -0.03838 182 TRP M CG 6632 C CD1 . TRP E 39 ? 0.24478 0.34890 0.16665 0.04452 -0.03128 -0.03192 182 TRP M CD1 6633 C CD2 . TRP E 39 ? 0.20209 0.32970 0.16055 0.05044 -0.04052 -0.02890 182 TRP M CD2 6634 N NE1 . TRP E 39 ? 0.23275 0.33422 0.18196 0.04304 -0.01509 -0.01424 182 TRP M NE1 6635 C CE2 . TRP E 39 ? 0.21674 0.33843 0.18320 0.06053 -0.03122 -0.03724 182 TRP M CE2 6636 C CE3 . TRP E 39 ? 0.20814 0.35009 0.17199 0.00651 -0.06056 -0.02561 182 TRP M CE3 6637 C CZ2 . TRP E 39 ? 0.23546 0.33183 0.18246 0.05646 -0.02262 -0.05384 182 TRP M CZ2 6638 C CZ3 . TRP E 39 ? 0.23297 0.33795 0.18002 0.00564 -0.02340 -0.03425 182 TRP M CZ3 6639 C CH2 . TRP E 39 ? 0.23096 0.33047 0.18896 0.03380 -0.02988 -0.05652 182 TRP M CH2 6650 N N . TYR E 40 ? 0.19981 0.30321 0.20836 0.02297 -0.03792 -0.04303 183 TYR M N 6651 C CA . TYR E 40 ? 0.18605 0.31057 0.21073 0.01190 -0.01145 -0.05863 183 TYR M CA 6652 C C . TYR E 40 ? 0.16638 0.30402 0.22820 0.02838 -0.00971 -0.07002 183 TYR M C 6653 O O . TYR E 40 ? 0.17582 0.34414 0.26189 0.02239 -0.03550 -0.06577 183 TYR M O 6654 C CB . TYR E 40 ? 0.17502 0.31125 0.21423 0.00661 -0.04069 -0.04094 183 TYR M CB 6655 C CG . TYR E 40 ? 0.16377 0.28051 0.21566 0.00151 -0.01671 -0.03146 183 TYR M CG 6656 C CD1 . TYR E 40 ? 0.18065 0.30346 0.22344 0.02651 -0.02213 -0.02968 183 TYR M CD1 6657 C CD2 . TYR E 40 ? 0.18816 0.28716 0.22392 0.00149 -0.03087 -0.02912 183 TYR M CD2 6658 C CE1 . TYR E 40 ? 0.21059 0.31458 0.20639 0.01474 -0.02733 -0.04919 183 TYR M CE1 6659 C CE2 . TYR E 40 ? 0.22910 0.30623 0.19645 -0.00867 -0.04254 -0.02907 183 TYR M CE2 6660 C CZ . TYR E 40 ? 0.21495 0.30054 0.18734 0.00371 -0.03365 -0.04171 183 TYR M CZ 6661 O OH . TYR E 40 ? 0.22722 0.32771 0.19064 0.01493 -0.03809 -0.03865 183 TYR M OH 6671 N N . GLN E 41 ? 0.20197 0.29663 0.23284 0.01456 -0.02685 -0.08870 184 GLN M N 6672 C CA . GLN E 41 ? 0.21633 0.30661 0.22021 -0.00044 -0.02488 -0.08334 184 GLN M CA 6673 C C . GLN E 41 ? 0.19034 0.32666 0.18069 -0.01203 -0.02083 -0.06847 184 GLN M C 6674 O O . GLN E 41 ? 0.20329 0.33126 0.21544 -0.03200 -0.02629 -0.04828 184 GLN M O 6675 C CB . GLN E 41 ? 0.21576 0.29674 0.23240 0.01826 -0.03132 -0.08869 184 GLN M CB 6676 C CG . GLN E 41 ? 0.24330 0.30978 0.24937 0.02135 -0.02925 -0.10120 184 GLN M CG 6677 C CD . GLN E 41 ? 0.27253 0.35110 0.29804 0.08226 -0.04777 -0.09655 184 GLN M CD 6678 O OE1 . GLN E 41 ? 0.30672 0.35961 0.29463 0.10840 -0.04609 -0.06957 184 GLN M OE1 6679 N NE2 . GLN E 41 ? 0.27745 0.35832 0.25544 0.06694 -0.03809 -0.09734 184 GLN M NE2 6688 N N . GLN E 42 ? 0.18254 0.33417 0.20031 -0.03356 -0.03200 -0.05245 185 GLN M N 6689 C CA . GLN E 42 ? 0.20979 0.33804 0.21838 -0.00490 -0.02779 -0.05808 185 GLN M CA 6690 C C . GLN E 42 ? 0.25756 0.35178 0.23717 -0.03179 -0.02872 -0.05402 185 GLN M C 6691 O O . GLN E 42 ? 0.24928 0.37228 0.23236 -0.04559 -0.02891 -0.05911 185 GLN M O 6692 C CB . GLN E 42 ? 0.19349 0.33827 0.22431 0.00183 -0.02355 -0.06964 185 GLN M CB 6693 C CG . GLN E 42 ? 0.21990 0.34032 0.23911 0.00614 -0.00385 -0.04196 185 GLN M CG 6694 C CD . GLN E 42 ? 0.22302 0.34247 0.21420 -0.00315 -0.01540 -0.02780 185 GLN M CD 6695 O OE1 . GLN E 42 ? 0.22371 0.34837 0.23348 0.00178 0.00185 -0.02618 185 GLN M OE1 6696 N NE2 . GLN E 42 ? 0.24162 0.38241 0.20063 -0.00648 -0.00819 -0.00863 185 GLN M NE2 6705 N N . ARG E 43 ? 0.27785 0.36109 0.26667 -0.01283 -0.03641 -0.06927 186 ARG M N 6706 C CA . ARG E 43 ? 0.30875 0.37144 0.32230 -0.03154 -0.05490 -0.07974 186 ARG M CA 6707 C C . ARG E 43 ? 0.30377 0.38124 0.36921 -0.05122 -0.05015 -0.07408 186 ARG M C 6708 O O . ARG E 43 ? 0.29093 0.34074 0.39833 -0.05287 -0.03493 -0.07624 186 ARG M O 6709 C CB . ARG E 43 ? 0.31567 0.37624 0.33559 -0.04128 -0.03931 -0.08791 186 ARG M CB 6710 C CG . ARG E 43 ? 0.33165 0.37813 0.35993 0.00092 -0.03291 -0.09804 186 ARG M CG 6711 C CD . ARG E 43 ? 0.35463 0.39725 0.37956 0.02814 -0.02399 -0.08214 186 ARG M CD 6712 N NE . ARG E 43 ? 0.35365 0.42778 0.37500 0.05878 -0.04159 -0.08261 186 ARG M NE 6713 C CZ . ARG E 43 ? 0.34277 0.43853 0.39127 0.02952 -0.04234 -0.06823 186 ARG M CZ 6714 N NH1 . ARG E 43 ? 0.36316 0.43065 0.43685 0.02621 -0.02584 -0.08150 186 ARG M NH1 6715 N NH2 . ARG E 43 ? 0.32895 0.45327 0.37208 -0.00257 -0.03036 -0.04222 186 ARG M NH2 6729 N N . PRO E 44 ? 0.35605 0.44944 0.41704 -0.08557 -0.05247 -0.06631 187 PRO M N 6730 C CA . PRO E 44 ? 0.34886 0.47619 0.45341 -0.11965 -0.05334 -0.05757 187 PRO M CA 6731 C C . PRO E 44 ? 0.33468 0.44536 0.43954 -0.10047 -0.05578 -0.05813 187 PRO M C 6732 O O . PRO E 44 ? 0.38744 0.43104 0.45350 -0.06813 -0.05064 -0.06477 187 PRO M O 6733 C CB . PRO E 44 ? 0.34084 0.50655 0.46990 -0.15070 -0.06729 -0.06903 187 PRO M CB 6734 C CG . PRO E 44 ? 0.35779 0.52720 0.46515 -0.14338 -0.05818 -0.07260 187 PRO M CG 6735 C CD . PRO E 44 ? 0.42779 0.54964 0.47930 -0.10311 -0.04964 -0.06152 187 PRO M CD 6743 N N . GLY E 45 ? 0.31807 0.43202 0.43369 -0.09019 -0.04183 -0.05529 188 GLY M N 6744 C CA . GLY E 45 ? 0.35601 0.41946 0.41934 -0.08992 -0.05075 -0.03536 188 GLY M CA 6745 C C . GLY E 45 ? 0.35775 0.40102 0.38593 -0.10628 -0.04941 -0.00656 188 GLY M C 6746 O O . GLY E 45 ? 0.41693 0.43420 0.39970 -0.11415 -0.03078 0.01453 188 GLY M O 6750 N N . SER E 46 ? 0.34568 0.38742 0.41167 -0.09880 -0.04264 -0.04057 189 SER M N 6751 C CA . SER E 46 ? 0.32549 0.36319 0.39624 -0.09268 -0.02631 -0.06786 189 SER M CA 6752 C C . SER E 46 ? 0.28205 0.30567 0.33773 -0.04056 -0.00097 -0.06811 189 SER M C 6753 O O . SER E 46 ? 0.25382 0.26769 0.30797 -0.03059 -0.00717 -0.05709 189 SER M O 6754 C CB . SER E 46 ? 0.38369 0.38637 0.41553 -0.10363 -0.01651 -0.10750 189 SER M CB 6755 O OG . SER E 46 ? 0.43878 0.43864 0.45149 -0.09284 0.02909 -0.11040 189 SER M OG 6761 N N . SER E 47 ? 0.24399 0.26954 0.29126 -0.04118 -0.00383 -0.07443 190 SER M N 6762 C CA . SER E 47 ? 0.25491 0.25654 0.24472 -0.00301 -0.00321 -0.07527 190 SER M CA 6763 C C . SER E 47 ? 0.23693 0.27417 0.23325 -0.03287 -0.01908 -0.08054 190 SER M C 6764 O O . SER E 47 ? 0.25946 0.29106 0.26764 -0.02508 -0.00784 -0.07378 190 SER M O 6765 C CB . SER E 47 ? 0.27966 0.27752 0.25931 -0.01695 -0.00785 -0.04087 190 SER M CB 6766 O OG . SER E 47 ? 0.27561 0.31744 0.28370 -0.00687 -0.02549 -0.02433 190 SER M OG 6772 N N . PRO E 48 ? 0.23518 0.29907 0.22403 -0.01170 -0.01146 -0.05560 191 PRO M N 6773 C CA . PRO E 48 ? 0.21410 0.29906 0.22813 -0.00386 -0.03216 -0.05836 191 PRO M CA 6774 C C . PRO E 48 ? 0.21486 0.32503 0.23183 -0.02783 -0.04622 -0.04071 191 PRO M C 6775 O O . PRO E 48 ? 0.21891 0.35817 0.23374 -0.02115 -0.04692 -0.02608 191 PRO M O 6776 C CB . PRO E 48 ? 0.23216 0.29461 0.24503 0.01071 -0.03071 -0.04392 191 PRO M CB 6777 C CG . PRO E 48 ? 0.26488 0.31238 0.24834 -0.00221 -0.01026 -0.04369 191 PRO M CG 6778 C CD . PRO E 48 ? 0.24029 0.28854 0.22912 -0.02345 -0.04168 -0.03446 191 PRO M CD 6786 N N . THR E 49 ? 0.19711 0.30146 0.21111 0.00003 -0.01204 -0.03427 192 THR M N 6787 C CA . THR E 49 ? 0.20828 0.30945 0.21497 -0.00493 -0.03268 -0.04769 192 THR M CA 6788 C C . THR E 49 ? 0.20838 0.34892 0.22868 -0.00391 -0.01987 -0.05632 192 THR M C 6789 O O . THR E 49 ? 0.19907 0.35769 0.23889 0.01911 -0.05766 -0.04518 192 THR M O 6790 C CB . THR E 49 ? 0.27025 0.30423 0.24812 0.00669 -0.02189 -0.05903 192 THR M CB 6791 O OG1 . THR E 49 ? 0.27364 0.31097 0.29602 0.03349 -0.04718 -0.08476 192 THR M OG1 6792 C CG2 . THR E 49 ? 0.31492 0.29824 0.31664 0.00523 0.00820 -0.05104 192 THR M CG2 6800 N N . THR E 50 ? 0.20011 0.33831 0.24279 0.00302 -0.02500 -0.03402 193 THR M N 6801 C CA . THR E 50 ? 0.20540 0.32184 0.21270 -0.01443 -0.01607 -0.03213 193 THR M CA 6802 C C . THR E 50 ? 0.18249 0.32994 0.22580 0.02613 -0.03633 -0.05588 193 THR M C 6803 O O . THR E 50 ? 0.20888 0.34040 0.25234 0.04374 -0.02034 -0.04018 193 THR M O 6804 C CB . THR E 50 ? 0.22495 0.33096 0.24050 -0.03135 0.01106 -0.02316 193 THR M CB 6805 O OG1 . THR E 50 ? 0.22326 0.35253 0.24408 -0.01935 -0.03328 -0.02840 193 THR M OG1 6806 C CG2 . THR E 50 ? 0.24210 0.30962 0.23524 -0.03881 0.01526 -0.01694 193 THR M CG2 6814 N N . VAL E 51 ? 0.18976 0.32952 0.19828 0.02300 -0.01548 -0.07080 194 VAL M N 6815 C CA . VAL E 51 ? 0.19826 0.34951 0.21782 0.00772 -0.00992 -0.06625 194 VAL M CA 6816 C C . VAL E 51 ? 0.20048 0.34876 0.20819 0.01349 -0.01204 -0.06013 194 VAL M C 6817 O O . VAL E 51 ? 0.19121 0.36143 0.22219 0.00850 -0.00411 -0.06551 194 VAL M O 6818 C CB . VAL E 51 ? 0.18963 0.34409 0.26204 -0.00433 0.00192 -0.08004 194 VAL M CB 6819 C CG1 . VAL E 51 ? 0.23997 0.35933 0.27754 -0.01769 -0.01114 -0.07176 194 VAL M CG1 6820 C CG2 . VAL E 51 ? 0.19663 0.35562 0.30787 -0.00886 -0.01156 -0.09311 194 VAL M CG2 6830 N N . ILE E 52 ? 0.18085 0.34206 0.21150 0.03500 -0.00077 -0.07038 195 ILE M N 6831 C CA . ILE E 52 ? 0.16352 0.33022 0.20268 0.02036 -0.04231 -0.06728 195 ILE M CA 6832 C C . ILE E 52 ? 0.18543 0.35399 0.20781 0.02731 -0.03208 -0.04060 195 ILE M C 6833 O O . ILE E 52 ? 0.18566 0.35088 0.19966 0.02363 -0.00522 -0.03729 195 ILE M O 6834 C CB . ILE E 52 ? 0.18520 0.33431 0.21893 0.00326 -0.04171 -0.09397 195 ILE M CB 6835 C CG1 . ILE E 52 ? 0.20017 0.35435 0.21878 0.02721 -0.02125 -0.08340 195 ILE M CG1 6836 C CG2 . ILE E 52 ? 0.19745 0.32364 0.24329 -0.00584 -0.03454 -0.10056 195 ILE M CG2 6837 C CD1 . ILE E 52 ? 0.24676 0.38127 0.21426 0.05505 0.00800 -0.08789 195 ILE M CD1 6849 N N . TYR E 53 ? 0.15792 0.35927 0.21942 0.01751 -0.01477 -0.07020 196 TYR M N 6850 C CA . TYR E 53 ? 0.18404 0.34608 0.22001 0.02837 -0.05007 -0.07835 196 TYR M CA 6851 C C . TYR E 53 ? 0.19734 0.32616 0.24753 0.02908 -0.04357 -0.11699 196 TYR M C 6852 O O . TYR E 53 ? 0.21329 0.32204 0.24280 0.01735 -0.02308 -0.09486 196 TYR M O 6853 C CB . TYR E 53 ? 0.23594 0.35978 0.22779 0.05121 -0.05963 -0.08499 196 TYR M CB 6854 C CG . TYR E 53 ? 0.21999 0.36082 0.25086 0.06948 -0.06177 -0.05362 196 TYR M CG 6855 C CD1 . TYR E 53 ? 0.23357 0.37968 0.29288 0.05559 -0.04684 -0.02215 196 TYR M CD1 6856 C CD2 . TYR E 53 ? 0.24060 0.36850 0.26414 0.06868 -0.07204 -0.06657 196 TYR M CD2 6857 C CE1 . TYR E 53 ? 0.21758 0.39512 0.30800 0.05187 -0.05034 -0.03751 196 TYR M CE1 6858 C CE2 . TYR E 53 ? 0.21963 0.39293 0.29835 0.05646 -0.07645 -0.05504 196 TYR M CE2 6859 C CZ . TYR E 53 ? 0.20949 0.41311 0.31647 0.04843 -0.05684 -0.04449 196 TYR M CZ 6860 O OH . TYR E 53 ? 0.21035 0.45436 0.34336 0.03052 -0.04405 -0.04575 196 TYR M OH 6870 N N . GLU E 54 ? 0.21980 0.36630 0.27139 0.03489 -0.04427 -0.11302 197 GLU M N 6871 C CA . GLU E 54 ? 0.24326 0.37402 0.30927 0.04844 -0.04986 -0.11043 197 GLU M CA 6872 C C . GLU E 54 ? 0.24870 0.36866 0.29450 0.01745 -0.02441 -0.11098 197 GLU M C 6873 O O . GLU E 54 ? 0.23385 0.35212 0.31089 -0.01645 0.00537 -0.11220 197 GLU M O 6874 C CB . GLU E 54 ? 0.24409 0.42252 0.34910 0.06605 -0.07583 -0.11186 197 GLU M CB 6875 C CG . GLU E 54 ? 0.24660 0.45462 0.37825 0.03754 -0.07711 -0.10418 197 GLU M CG 6876 C CD . GLU E 54 ? 0.29769 0.50407 0.39760 0.01294 -0.10111 -0.11048 197 GLU M CD 6877 O OE1 . GLU E 54 ? 0.25441 0.53920 0.35270 -0.01448 -0.06922 -0.09149 197 GLU M OE1 6878 O OE2 . GLU E 54 ? 0.39923 0.54591 0.49992 0.02474 -0.11004 -0.10769 197 GLU M OE2 6885 N N . ASP E 55 ? 0.20722 0.37654 0.25989 0.00300 -0.02827 -0.11017 198 ASP M N 6886 C CA . ASP E 55 ? 0.23077 0.37526 0.25309 -0.02020 -0.00239 -0.10584 198 ASP M CA 6887 C C . ASP E 55 ? 0.22760 0.33639 0.27012 -0.02592 -0.01109 -0.08394 198 ASP M C 6888 O O . ASP E 55 ? 0.22058 0.32654 0.23373 -0.00704 -0.00104 -0.05898 198 ASP M O 6889 C CB . ASP E 55 ? 0.26392 0.39818 0.28458 -0.03766 0.01705 -0.10417 198 ASP M CB 6890 C CG . ASP E 55 ? 0.34452 0.46210 0.34548 -0.05750 0.03825 -0.09707 198 ASP M CG 6891 O OD1 . ASP E 55 ? 0.26021 0.46038 0.26376 -0.04032 -0.00530 -0.08001 198 ASP M OD1 6892 O OD2 . ASP E 55 ? 0.41004 0.52202 0.41677 -0.04341 0.10279 -0.09345 198 ASP M OD2 6897 N N . ASN E 56 ? 0.20459 0.34428 0.28624 -0.00605 -0.00873 -0.10184 199 ASN M N 6898 C CA . ASN E 56 ? 0.14412 0.36817 0.27311 0.00085 0.00951 -0.11650 199 ASN M CA 6899 C C . ASN E 56 ? 0.16227 0.36510 0.25284 0.00370 -0.00826 -0.13786 199 ASN M C 6900 O O . ASN E 56 ? 0.19018 0.42021 0.25839 0.01221 -0.00377 -0.13096 199 ASN M O 6901 C CB . ASN E 56 ? 0.17323 0.44489 0.30727 -0.02176 0.02997 -0.07659 199 ASN M CB 6902 C CG . ASN E 56 ? 0.22636 0.47920 0.33805 -0.06269 0.05736 -0.05557 199 ASN M CG 6903 O OD1 . ASN E 56 ? 0.21953 0.45784 0.33996 -0.06862 0.04221 -0.08693 199 ASN M OD1 6904 N ND2 . ASN E 56 ? 0.33239 0.54565 0.39723 -0.07371 0.03428 -0.01675 199 ASN M ND2 6911 N N . GLN E 57 ? 0.17537 0.37540 0.26357 0.00446 -0.00354 -0.11717 200 GLN M N 6912 C CA . GLN E 57 ? 0.16452 0.37755 0.27743 -0.00844 -0.01928 -0.11210 200 GLN M CA 6913 C C . GLN E 57 ? 0.17696 0.38362 0.28400 0.00665 -0.00196 -0.10243 200 GLN M C 6914 O O . GLN E 57 ? 0.17412 0.38445 0.26490 0.02078 0.00849 -0.08808 200 GLN M O 6915 C CB . GLN E 57 ? 0.14801 0.37743 0.30448 -0.03373 -0.02392 -0.13136 200 GLN M CB 6916 C CG . GLN E 57 ? 0.14711 0.42291 0.33518 -0.03208 -0.02818 -0.10711 200 GLN M CG 6917 C CD . GLN E 57 ? 0.19357 0.46141 0.38459 -0.02393 -0.01959 -0.07414 200 GLN M CD 6918 O OE1 . GLN E 57 ? 0.22593 0.46186 0.42830 -0.01740 -0.00922 -0.05794 200 GLN M OE1 6919 N NE2 . GLN E 57 ? 0.24500 0.47698 0.39936 -0.01200 -0.00356 -0.07617 200 GLN M NE2 6928 N N . ARG E 58 ? 0.20255 0.40614 0.32030 0.02601 0.00508 -0.10445 201 ARG M N 6929 C CA . ARG E 58 ? 0.18538 0.41975 0.37960 0.02794 0.02129 -0.11342 201 ARG M CA 6930 C C . ARG E 58 ? 0.18490 0.44430 0.45704 0.02804 0.00405 -0.06594 201 ARG M C 6931 O O . ARG E 58 ? 0.16894 0.43099 0.49574 0.00795 0.00239 -0.01611 201 ARG M O 6932 C CB . ARG E 58 ? 0.25341 0.47521 0.42975 0.01428 0.04906 -0.15788 201 ARG M CB 6933 C CG . ARG E 58 ? 0.31389 0.54389 0.47699 -0.00679 0.04768 -0.17500 201 ARG M CG 6934 C CD . ARG E 58 ? 0.35998 0.61017 0.51648 0.00387 0.03458 -0.16690 201 ARG M CD 6935 N NE . ARG E 58 ? 0.42729 0.64826 0.57869 -0.02885 0.01355 -0.16179 201 ARG M NE 6936 C CZ . ARG E 58 ? 0.48493 0.72733 0.64588 -0.01026 0.02565 -0.15579 201 ARG M CZ 6937 N NH1 . ARG E 58 ? 0.49667 0.73595 0.63619 -0.01415 0.04678 -0.14585 201 ARG M NH1 6938 N NH2 . ARG E 58 ? 0.46134 0.76105 0.66243 0.02094 0.02933 -0.16679 201 ARG M NH2 6952 N N . PRO E 59 ? 0.20703 0.46242 0.46275 0.05526 -0.04694 -0.06646 202 PRO M N 6953 C CA . PRO E 59 ? 0.23642 0.47212 0.46660 0.06980 -0.06280 -0.05380 202 PRO M CA 6954 C C . PRO E 59 ? 0.26829 0.48783 0.53519 0.10858 -0.08470 -0.04871 202 PRO M C 6955 O O . PRO E 59 ? 0.30938 0.45945 0.55693 0.13766 -0.03706 -0.05882 202 PRO M O 6956 C CB . PRO E 59 ? 0.25850 0.45226 0.44851 0.04421 -0.04314 -0.07091 202 PRO M CB 6957 C CG . PRO E 59 ? 0.24349 0.43740 0.44689 0.04979 -0.03561 -0.07980 202 PRO M CG 6958 C CD . PRO E 59 ? 0.19861 0.44910 0.44981 0.06173 -0.04493 -0.07863 202 PRO M CD 6966 N N . SER E 60 ? 0.32184 0.56140 0.62442 0.08112 -0.09509 -0.06316 203 SER M N 6967 C CA . SER E 60 ? 0.40210 0.61424 0.66396 0.10503 -0.08014 -0.07599 203 SER M CA 6968 C C . SER E 60 ? 0.39320 0.55481 0.63316 0.10232 -0.08328 -0.06462 203 SER M C 6969 O O . SER E 60 ? 0.38952 0.51035 0.63109 0.07801 -0.07473 -0.05017 203 SER M O 6970 C CB . SER E 60 ? 0.50859 0.72474 0.79499 0.08621 -0.06048 -0.08896 203 SER M CB 6971 O OG . SER E 60 ? 0.63846 0.84140 0.91346 0.08714 -0.05009 -0.09317 203 SER M OG 6977 N N . GLY E 61 ? 0.35422 0.51419 0.61132 0.09659 -0.08283 -0.07287 204 GLY M N 6978 C CA . GLY E 61 ? 0.32869 0.47613 0.54995 0.07550 -0.07176 -0.07898 204 GLY M CA 6979 C C . GLY E 61 ? 0.31652 0.45879 0.48904 0.06774 -0.07319 -0.10593 204 GLY M C 6980 O O . GLY E 61 ? 0.35209 0.45510 0.51671 0.07117 -0.08093 -0.09164 204 GLY M O 6984 N N . VAL E 62 ? 0.27792 0.42882 0.40260 0.10031 -0.03972 -0.14840 205 VAL M N 6985 C CA . VAL E 62 ? 0.26265 0.43271 0.36728 0.09111 -0.00501 -0.13607 205 VAL M CA 6986 C C . VAL E 62 ? 0.28917 0.45100 0.37282 0.08406 0.01873 -0.10056 205 VAL M C 6987 O O . VAL E 62 ? 0.30774 0.45260 0.39510 0.09909 0.05449 -0.05234 205 VAL M O 6988 C CB . VAL E 62 ? 0.25117 0.43374 0.34734 0.07499 -0.02387 -0.11807 205 VAL M CB 6989 C CG1 . VAL E 62 ? 0.22046 0.41171 0.35337 0.10024 -0.01995 -0.09097 205 VAL M CG1 6990 C CG2 . VAL E 62 ? 0.24508 0.44253 0.31013 0.04088 -0.01591 -0.11468 205 VAL M CG2 7000 N N . PRO E 63 ? 0.32394 0.45411 0.38749 0.08072 0.00791 -0.10594 206 PRO M N 7001 C CA . PRO E 63 ? 0.33582 0.45965 0.42152 0.06876 0.00726 -0.09482 206 PRO M CA 7002 C C . PRO E 63 ? 0.26073 0.44563 0.35853 0.08888 0.00387 -0.08586 206 PRO M C 7003 O O . PRO E 63 ? 0.24631 0.41336 0.31219 0.08958 -0.04728 -0.08708 206 PRO M O 7004 C CB . PRO E 63 ? 0.34938 0.45982 0.40829 0.03013 0.02151 -0.11640 206 PRO M CB 7005 C CG . PRO E 63 ? 0.35626 0.47190 0.42650 0.02250 0.01026 -0.13048 206 PRO M CG 7006 C CD . PRO E 63 ? 0.34838 0.46304 0.38292 0.05764 -0.00435 -0.13119 206 PRO M CD 7014 N N . ASP E 64 ? 0.23544 0.51460 0.35156 0.06997 0.01674 -0.11374 207 ASP M N 7015 C CA . ASP E 64 ? 0.19402 0.52392 0.35295 0.03564 0.00864 -0.12508 207 ASP M CA 7016 C C . ASP E 64 ? 0.20493 0.51554 0.31949 0.04459 -0.01015 -0.10775 207 ASP M C 7017 O O . ASP E 64 ? 0.25930 0.52137 0.32370 0.03535 -0.01571 -0.05917 207 ASP M O 7018 C CB . ASP E 64 ? 0.25458 0.57645 0.43128 0.03912 0.02546 -0.13942 207 ASP M CB 7019 C CG . ASP E 64 ? 0.33613 0.60218 0.49038 0.06872 0.05758 -0.14554 207 ASP M CG 7020 O OD1 . ASP E 64 ? 0.36202 0.61231 0.48621 0.08442 0.02963 -0.15829 207 ASP M OD1 7021 O OD2 . ASP E 64 ? 0.40966 0.64152 0.56333 0.08817 0.08005 -0.13305 207 ASP M OD2 7026 N N . ARG E 65 ? 0.16738 0.48691 0.29871 0.02925 -0.00358 -0.14206 208 ARG M N 7027 C CA . ARG E 65 ? 0.17155 0.44139 0.31917 0.01239 -0.01733 -0.13857 208 ARG M CA 7028 C C . ARG E 65 ? 0.16702 0.42686 0.31999 0.01006 -0.02117 -0.11154 208 ARG M C 7029 O O . ARG E 65 ? 0.18260 0.43296 0.29921 0.02301 -0.02539 -0.12929 208 ARG M O 7030 C CB . ARG E 65 ? 0.22887 0.44691 0.36222 -0.01387 -0.03414 -0.15213 208 ARG M CB 7031 C CG . ARG E 65 ? 0.27944 0.47126 0.39230 -0.01853 -0.02271 -0.14917 208 ARG M CG 7032 C CD . ARG E 65 ? 0.34320 0.51815 0.41290 -0.02458 -0.00641 -0.14707 208 ARG M CD 7033 N NE . ARG E 65 ? 0.28499 0.49695 0.41325 -0.00549 0.01731 -0.15197 208 ARG M NE 7034 C CZ . ARG E 65 ? 0.26931 0.48472 0.43973 0.00293 0.00174 -0.16028 208 ARG M CZ 7035 N NH1 . ARG E 65 ? 0.24777 0.45364 0.43597 0.00671 -0.00080 -0.16377 208 ARG M NH1 7036 N NH2 . ARG E 65 ? 0.23761 0.48655 0.44473 -0.00372 -0.02506 -0.15905 208 ARG M NH2 7050 N N . PHE E 66 ? 0.15799 0.41251 0.28491 0.01196 -0.04545 -0.11283 209 PHE M N 7051 C CA . PHE E 66 ? 0.17341 0.41114 0.27057 0.03144 -0.02173 -0.11245 209 PHE M CA 7052 C C . PHE E 66 ? 0.18044 0.38796 0.27201 0.02985 -0.01095 -0.09135 209 PHE M C 7053 O O . PHE E 66 ? 0.19660 0.38966 0.31369 0.00128 -0.01554 -0.04630 209 PHE M O 7054 C CB . PHE E 66 ? 0.21809 0.44142 0.28616 0.04013 -0.03646 -0.11947 209 PHE M CB 7055 C CG . PHE E 66 ? 0.21849 0.43653 0.30246 0.02831 -0.02279 -0.10638 209 PHE M CG 7056 C CD1 . PHE E 66 ? 0.23022 0.43663 0.35417 0.00058 0.00178 -0.07373 209 PHE M CD1 7057 C CD2 . PHE E 66 ? 0.24322 0.44346 0.30748 0.03341 -0.01497 -0.08863 209 PHE M CD2 7058 C CE1 . PHE E 66 ? 0.27327 0.43627 0.36987 0.00737 0.04367 -0.07430 209 PHE M CE1 7059 C CE2 . PHE E 66 ? 0.23389 0.45141 0.30236 0.03836 0.02325 -0.09194 209 PHE M CE2 7060 C CZ . PHE E 66 ? 0.24467 0.44223 0.32674 0.01621 0.03341 -0.07792 209 PHE M CZ 7070 N N . SER E 67 ? 0.19118 0.39996 0.23166 0.04597 0.00271 -0.10428 210 SER M N 7071 C CA . SER E 67 ? 0.18977 0.39772 0.22014 0.01819 0.00042 -0.10284 210 SER M CA 7072 C C . SER E 67 ? 0.16755 0.41013 0.22401 0.01085 -0.00017 -0.10340 210 SER M C 7073 O O . SER E 67 ? 0.15587 0.46916 0.22857 -0.00054 -0.00786 -0.11558 210 SER M O 7074 C CB . SER E 67 ? 0.20389 0.42575 0.23768 -0.00743 0.01748 -0.07291 210 SER M CB 7075 O OG . SER E 67 ? 0.22994 0.45075 0.22772 0.02235 0.01447 -0.07707 210 SER M OG 7081 N N . GLY E 68 ? 0.20272 0.37426 0.23844 0.00639 -0.00597 -0.10425 211 GLY M N 7082 C CA . GLY E 68 ? 0.18828 0.37907 0.25015 -0.02677 -0.01613 -0.10368 211 GLY M CA 7083 C C . GLY E 68 ? 0.18036 0.37273 0.25132 -0.02972 -0.02469 -0.08276 211 GLY M C 7084 O O . GLY E 68 ? 0.19765 0.36169 0.27934 -0.01603 -0.00336 -0.05538 211 GLY M O 7088 N N . SER E 69 ? 0.19687 0.38826 0.21222 0.00548 0.01245 -0.07250 212 SER M N 7089 C CA . SER E 69 ? 0.21596 0.41271 0.22520 -0.00246 -0.00690 -0.04938 212 SER M CA 7090 C C . SER E 69 ? 0.21919 0.39591 0.22642 0.00113 -0.00390 -0.04297 212 SER M C 7091 O O . SER E 69 ? 0.22084 0.38414 0.21840 0.00316 -0.00450 -0.01970 212 SER M O 7092 C CB . SER E 69 ? 0.26368 0.43901 0.23540 -0.01563 -0.01288 -0.05009 212 SER M CB 7093 O OG . SER E 69 ? 0.28097 0.48733 0.22422 -0.02036 -0.01069 -0.05860 212 SER M OG 7099 N N . ILE E 70 ? 0.26245 0.43169 0.25590 0.01137 -0.01492 -0.05339 213 ILE M N 7100 C CA . ILE E 70 ? 0.27765 0.40573 0.24835 0.01004 -0.01790 -0.05696 213 ILE M CA 7101 C C . ILE E 70 ? 0.30280 0.42101 0.26529 -0.00989 -0.00330 -0.05257 213 ILE M C 7102 O O . ILE E 70 ? 0.30830 0.41475 0.30549 -0.02041 0.01520 -0.03867 213 ILE M O 7103 C CB . ILE E 70 ? 0.30341 0.42401 0.25913 0.00963 -0.03534 -0.06851 213 ILE M CB 7104 C CG1 . ILE E 70 ? 0.31714 0.44734 0.26285 -0.01164 -0.05800 -0.05782 213 ILE M CG1 7105 C CG2 . ILE E 70 ? 0.30864 0.41929 0.28883 0.00990 -0.03824 -0.06820 213 ILE M CG2 7106 C CD1 . ILE E 70 ? 0.26631 0.45179 0.25411 -0.04662 -0.07061 -0.05715 213 ILE M CD1 7118 N N . ASP E 71 ? 0.29645 0.43843 0.23850 0.00034 -0.02415 -0.03666 214 ASP M N 7119 C CA . ASP E 71 ? 0.34941 0.47142 0.25999 -0.00447 -0.03600 -0.00115 214 ASP M CA 7120 C C . ASP E 71 ? 0.33066 0.45803 0.26306 0.00148 -0.03994 0.02417 214 ASP M C 7121 O O . ASP E 71 ? 0.29452 0.44961 0.25210 0.01240 -0.02144 -0.00264 214 ASP M O 7122 C CB . ASP E 71 ? 0.42576 0.53739 0.25336 -0.01727 -0.05188 0.00191 214 ASP M CB 7123 C CG . ASP E 71 ? 0.50135 0.58442 0.28569 -0.03864 -0.06784 0.01654 214 ASP M CG 7124 O OD1 . ASP E 71 ? 0.54585 0.60096 0.27323 -0.05129 -0.08434 0.02052 214 ASP M OD1 7125 O OD2 . ASP E 71 ? 0.52079 0.62403 0.35989 -0.00203 -0.04904 0.02290 214 ASP M OD2 7130 N N . SER E 72 ? 0.33887 0.48115 0.26713 -0.02616 -0.04745 0.06295 215 SER M N 7131 C CA . SER E 72 ? 0.46608 0.55583 0.35307 -0.00460 -0.04149 0.05401 215 SER M CA 7132 C C . SER E 72 ? 0.44211 0.49728 0.30896 0.01019 -0.03481 0.03736 215 SER M C 7133 O O . SER E 72 ? 0.41722 0.44520 0.28177 0.01033 -0.04787 0.03827 215 SER M O 7134 C CB . SER E 72 ? 0.63951 0.68930 0.49419 -0.01325 -0.03237 0.03414 215 SER M CB 7135 O OG . SER E 72 ? 0.80011 0.81070 0.61459 -0.02516 -0.03390 0.02652 215 SER M OG 7141 N N . SER E 73 ? 0.44098 0.50350 0.27703 0.01263 -0.01569 0.03921 216 SER M N 7142 C CA . SER E 73 ? 0.46289 0.51895 0.26939 0.00981 -0.00566 0.04878 216 SER M CA 7143 C C . SER E 73 ? 0.43415 0.49063 0.27649 0.05351 -0.02820 0.07090 216 SER M C 7144 O O . SER E 73 ? 0.47882 0.48839 0.32057 0.07132 -0.00328 0.06374 216 SER M O 7145 C CB . SER E 73 ? 0.51550 0.54525 0.25947 -0.01276 0.01127 0.02658 216 SER M CB 7146 O OG . SER E 73 ? 0.54063 0.55162 0.29512 -0.01761 0.03130 -0.01133 216 SER M OG 7152 N N . SER E 74 ? 0.39788 0.48440 0.24951 0.05018 -0.06379 0.07044 217 SER M N 7153 C CA . SER E 74 ? 0.38062 0.47643 0.23737 0.03908 -0.06492 0.05744 217 SER M CA 7154 C C . SER E 74 ? 0.36293 0.45810 0.21056 0.02171 -0.04920 0.06686 217 SER M C 7155 O O . SER E 74 ? 0.38224 0.49179 0.22546 0.01358 -0.05687 0.08061 217 SER M O 7156 C CB . SER E 74 ? 0.39016 0.47168 0.25609 0.04758 -0.08524 0.05273 217 SER M CB 7157 O OG . SER E 74 ? 0.41317 0.48277 0.26710 0.02922 -0.08856 0.03216 217 SER M OG 7163 N N . ASN E 75 ? 0.34726 0.43114 0.20520 0.04817 -0.03890 0.03526 218 ASN M N 7164 C CA . ASN E 75 ? 0.36478 0.38562 0.21403 0.06705 -0.04038 0.02592 218 ASN M CA 7165 C C . ASN E 75 ? 0.34109 0.38453 0.19581 0.06344 -0.03642 0.02641 218 ASN M C 7166 O O . ASN E 75 ? 0.35516 0.36162 0.20793 0.08313 -0.04358 0.02148 218 ASN M O 7167 C CB . ASN E 75 ? 0.36468 0.37626 0.23238 0.08553 -0.03690 0.03606 218 ASN M CB 7168 C CG . ASN E 75 ? 0.39376 0.36894 0.23528 0.08009 -0.03380 0.06410 218 ASN M CG 7169 O OD1 . ASN E 75 ? 0.40100 0.36062 0.23603 0.07414 -0.04636 0.04617 218 ASN M OD1 7170 N ND2 . ASN E 75 ? 0.39455 0.38004 0.27037 0.08352 -0.02411 0.07676 218 ASN M ND2 7177 N N . SER E 76 ? 0.31399 0.38833 0.19349 0.04912 -0.03269 -0.00632 219 SER M N 7178 C CA . SER E 76 ? 0.31211 0.39193 0.20091 0.04338 -0.02382 -0.03115 219 SER M CA 7179 C C . SER E 76 ? 0.28113 0.38344 0.22123 0.06034 -0.02255 -0.04599 219 SER M C 7180 O O . SER E 76 ? 0.27390 0.39403 0.24475 0.05308 -0.02439 -0.02442 219 SER M O 7181 C CB . SER E 76 ? 0.31905 0.40113 0.20453 0.02285 -0.01603 -0.00331 219 SER M CB 7182 O OG . SER E 76 ? 0.35365 0.39688 0.23909 0.02369 -0.02704 0.00825 219 SER M OG 7188 N N . ALA E 77 ? 0.27190 0.37750 0.20388 0.06883 -0.02254 -0.04441 220 ALA M N 7189 C CA . ALA E 77 ? 0.25898 0.37723 0.18132 0.06792 -0.02899 -0.05918 220 ALA M CA 7190 C C . ALA E 77 ? 0.20296 0.36618 0.20160 0.07567 -0.02324 -0.06567 220 ALA M C 7191 O O . ALA E 77 ? 0.20927 0.35702 0.23000 0.06431 -0.00522 -0.03312 220 ALA M O 7192 C CB . ALA E 77 ? 0.25855 0.38055 0.18137 0.07875 -0.03507 -0.05278 220 ALA M CB 7198 N N . SER E 78 ? 0.20237 0.40321 0.18256 0.04727 -0.01727 -0.06041 221 SER M N 7199 C CA . SER E 78 ? 0.18515 0.41107 0.17817 0.02175 -0.00414 -0.06267 221 SER M CA 7200 C C . SER E 78 ? 0.16767 0.40101 0.17754 -0.00489 -0.00901 -0.07428 221 SER M C 7201 O O . SER E 78 ? 0.19947 0.36450 0.24491 0.00181 0.00209 -0.05796 221 SER M O 7202 C CB . SER E 78 ? 0.19395 0.42513 0.19011 0.01861 -0.00983 -0.03940 221 SER M CB 7203 O OG . SER E 78 ? 0.20689 0.44096 0.20700 0.01847 -0.01206 -0.01482 221 SER M OG 7209 N N . LEU E 79 ? 0.15708 0.40814 0.19404 0.00835 0.00883 -0.08869 222 LEU M N 7210 C CA . LEU E 79 ? 0.17706 0.39951 0.18377 0.00238 -0.00303 -0.09509 222 LEU M CA 7211 C C . LEU E 79 ? 0.17399 0.40550 0.19894 0.01247 -0.01123 -0.10891 222 LEU M C 7212 O O . LEU E 79 ? 0.17233 0.41746 0.21702 -0.01399 -0.00630 -0.10317 222 LEU M O 7213 C CB . LEU E 79 ? 0.18264 0.38123 0.19488 0.01264 -0.00788 -0.08134 222 LEU M CB 7214 C CG . LEU E 79 ? 0.19504 0.38122 0.20959 0.01427 -0.00104 -0.05201 222 LEU M CG 7215 C CD1 . LEU E 79 ? 0.17134 0.39475 0.24331 0.03269 0.00945 -0.02350 222 LEU M CD1 7216 C CD2 . LEU E 79 ? 0.24003 0.41338 0.22640 0.01192 0.02984 -0.05077 222 LEU M CD2 7228 N N . THR E 80 ? 0.19249 0.40315 0.18882 0.02391 -0.01792 -0.12008 223 THR M N 7229 C CA . THR E 80 ? 0.20074 0.38119 0.20614 0.00728 -0.00099 -0.10917 223 THR M CA 7230 C C . THR E 80 ? 0.15975 0.38544 0.23914 -0.01071 0.00625 -0.09068 223 THR M C 7231 O O . THR E 80 ? 0.17136 0.35914 0.28361 -0.01873 -0.00585 -0.10011 223 THR M O 7232 C CB . THR E 80 ? 0.21071 0.36700 0.21365 0.01911 -0.00167 -0.09406 223 THR M CB 7233 O OG1 . THR E 80 ? 0.23755 0.38580 0.22945 0.00543 0.00485 -0.04932 223 THR M OG1 7234 C CG2 . THR E 80 ? 0.22828 0.41178 0.23887 0.02384 -0.03514 -0.11164 223 THR M CG2 7242 N N . ILE E 81 ? 0.14722 0.41115 0.23321 -0.00506 -0.00864 -0.10027 224 ILE M N 7243 C CA . ILE E 81 ? 0.16596 0.41778 0.25828 0.00949 -0.02924 -0.12490 224 ILE M CA 7244 C C . ILE E 81 ? 0.18835 0.43799 0.29229 0.03389 -0.04008 -0.14032 224 ILE M C 7245 O O . ILE E 81 ? 0.21411 0.42061 0.29384 0.02846 -0.03883 -0.15067 224 ILE M O 7246 C CB . ILE E 81 ? 0.19859 0.44368 0.30041 -0.01371 -0.03351 -0.10354 224 ILE M CB 7247 C CG1 . ILE E 81 ? 0.22958 0.46737 0.29352 -0.03578 -0.03515 -0.07113 224 ILE M CG1 7248 C CG2 . ILE E 81 ? 0.19543 0.44675 0.35184 -0.00071 -0.03476 -0.10467 224 ILE M CG2 7249 C CD1 . ILE E 81 ? 0.25409 0.49557 0.28407 -0.02453 -0.01095 -0.05777 224 ILE M CD1 7261 N N . SER E 82 ? 0.19367 0.45857 0.29849 0.03795 -0.04208 -0.13363 225 SER M N 7262 C CA . SER E 82 ? 0.21090 0.45996 0.30060 0.02536 -0.03817 -0.13235 225 SER M CA 7263 C C . SER E 82 ? 0.22177 0.44781 0.33078 0.02365 -0.00890 -0.12754 225 SER M C 7264 O O . SER E 82 ? 0.20320 0.44160 0.33660 0.03017 -0.01560 -0.13224 225 SER M O 7265 C CB . SER E 82 ? 0.22806 0.47495 0.28582 0.02467 -0.03735 -0.10670 225 SER M CB 7266 O OG . SER E 82 ? 0.25996 0.50048 0.30062 0.04026 -0.01110 -0.10934 225 SER M OG 7272 N N . GLY E 83 ? 0.23126 0.44174 0.32583 0.02103 0.01452 -0.11455 226 GLY M N 7273 C CA . GLY E 83 ? 0.21779 0.44968 0.33021 0.02811 0.04344 -0.12836 226 GLY M CA 7274 C C . GLY E 83 ? 0.23275 0.44832 0.35381 0.03522 0.00713 -0.13425 226 GLY M C 7275 O O . GLY E 83 ? 0.25532 0.44110 0.39024 -0.01747 -0.01771 -0.13499 226 GLY M O 7279 N N . LEU E 84 ? 0.20316 0.44026 0.34812 0.07096 -0.01212 -0.14202 227 LEU M N 7280 C CA . LEU E 84 ? 0.20516 0.43582 0.34793 0.05995 -0.02578 -0.10203 227 LEU M CA 7281 C C . LEU E 84 ? 0.21942 0.44063 0.36441 0.03745 -0.05390 -0.10525 227 LEU M C 7282 O O . LEU E 84 ? 0.24624 0.43578 0.34117 0.00962 -0.03159 -0.11681 227 LEU M O 7283 C CB . LEU E 84 ? 0.17431 0.44380 0.31131 0.06342 -0.00012 -0.10434 227 LEU M CB 7284 C CG . LEU E 84 ? 0.21747 0.44149 0.27216 0.08015 -0.01800 -0.09152 227 LEU M CG 7285 C CD1 . LEU E 84 ? 0.25090 0.44999 0.25159 0.08325 -0.02561 -0.10636 227 LEU M CD1 7286 C CD2 . LEU E 84 ? 0.22920 0.42142 0.25755 0.07781 -0.00718 -0.07314 227 LEU M CD2 7298 N N . LYS E 85 ? 0.21840 0.44725 0.37905 0.07042 -0.03335 -0.10310 228 LYS M N 7299 C CA . LYS E 85 ? 0.30071 0.48312 0.44059 0.06245 -0.04394 -0.12149 228 LYS M CA 7300 C C . LYS E 85 ? 0.26826 0.41546 0.40453 0.04125 -0.08464 -0.09710 228 LYS M C 7301 O O . LYS E 85 ? 0.26001 0.37712 0.38723 0.06160 -0.10746 -0.10368 228 LYS M O 7302 C CB . LYS E 85 ? 0.39385 0.57169 0.55508 0.06193 -0.01252 -0.11991 228 LYS M CB 7303 C CG . LYS E 85 ? 0.52613 0.68758 0.66967 0.04435 -0.03429 -0.13443 228 LYS M CG 7304 C CD . LYS E 85 ? 0.55657 0.68099 0.69243 0.03413 -0.06192 -0.14525 228 LYS M CD 7305 C CE . LYS E 85 ? 0.55179 0.68405 0.72665 0.04622 -0.07486 -0.14805 228 LYS M CE 7306 N NZ . LYS E 85 ? 0.53680 0.68592 0.73105 0.06025 -0.06733 -0.15770 228 LYS M NZ 7320 N N . THR E 86 ? 0.26477 0.41912 0.39456 0.01660 -0.07363 -0.08263 229 THR M N 7321 C CA . THR E 86 ? 0.27970 0.40312 0.40592 -0.01538 -0.07067 -0.08160 229 THR M CA 7322 C C . THR E 86 ? 0.26811 0.38372 0.42941 0.01865 -0.03778 -0.05683 229 THR M C 7323 O O . THR E 86 ? 0.25018 0.37004 0.42905 0.00249 -0.01060 -0.02357 229 THR M O 7324 C CB . THR E 86 ? 0.32916 0.43418 0.41698 -0.06319 -0.06622 -0.10998 229 THR M CB 7325 O OG1 . THR E 86 ? 0.38345 0.46790 0.45051 -0.07645 -0.05515 -0.11180 229 THR M OG1 7326 C CG2 . THR E 86 ? 0.34640 0.45282 0.44612 -0.06611 -0.08014 -0.10566 229 THR M CG2 7334 N N . GLU E 87 ? 0.27275 0.39320 0.44846 0.01960 -0.04821 -0.08681 230 GLU M N 7335 C CA . GLU E 87 ? 0.35345 0.47845 0.49763 0.02296 -0.07639 -0.08894 230 GLU M CA 7336 C C . GLU E 87 ? 0.28295 0.44995 0.41504 0.01388 -0.08046 -0.05729 230 GLU M C 7337 O O . GLU E 87 ? 0.29967 0.44620 0.38347 0.00057 -0.07947 -0.03795 230 GLU M O 7338 C CB . GLU E 87 ? 0.52470 0.60797 0.63757 0.02547 -0.08778 -0.12051 230 GLU M CB 7339 C CG . GLU E 87 ? 0.65164 0.72910 0.79238 0.02820 -0.07330 -0.12409 230 GLU M CG 7340 C CD . GLU E 87 ? 0.83150 0.88835 0.95129 0.02115 -0.05744 -0.12776 230 GLU M CD 7341 O OE1 . GLU E 87 ? 0.86764 0.92699 1.01275 -0.00313 -0.05057 -0.12354 230 GLU M OE1 7342 O OE2 . GLU E 87 ? 0.83987 0.93751 1.05724 0.03378 -0.06774 -0.13990 230 GLU M OE2 7349 N N . ASP E 88 ? 0.22264 0.39423 0.36102 0.00902 -0.05204 -0.08411 231 ASP M N 7350 C CA . ASP E 88 ? 0.20107 0.37399 0.34259 0.01728 -0.05450 -0.06533 231 ASP M CA 7351 C C . ASP E 88 ? 0.22835 0.35303 0.32488 0.01631 -0.04015 -0.07479 231 ASP M C 7352 O O . ASP E 88 ? 0.24892 0.32731 0.28064 -0.01405 -0.02651 -0.07592 231 ASP M O 7353 C CB . ASP E 88 ? 0.21653 0.38491 0.34560 0.00972 -0.04321 -0.05866 231 ASP M CB 7354 C CG . ASP E 88 ? 0.19692 0.40503 0.36382 0.01187 -0.04797 -0.03931 231 ASP M CG 7355 O OD1 . ASP E 88 ? 0.21636 0.43280 0.38796 0.01900 -0.05263 -0.05831 231 ASP M OD1 7356 O OD2 . ASP E 88 ? 0.21442 0.41698 0.35951 0.00146 -0.05060 -0.05450 231 ASP M OD2 7361 N N . GLU E 89 ? 0.20694 0.36525 0.34813 0.00137 -0.05263 -0.07218 232 GLU M N 7362 C CA . GLU E 89 ? 0.23243 0.41792 0.38279 -0.00733 -0.02689 -0.05543 232 GLU M CA 7363 C C . GLU E 89 ? 0.25291 0.44062 0.35455 -0.00987 -0.00086 -0.03010 232 GLU M C 7364 O O . GLU E 89 ? 0.30699 0.45206 0.34634 -0.00238 -0.00963 0.01360 232 GLU M O 7365 C CB . GLU E 89 ? 0.28402 0.48779 0.45492 -0.02221 -0.03383 -0.06854 232 GLU M CB 7366 C CG . GLU E 89 ? 0.33492 0.56192 0.48443 -0.05946 -0.05647 -0.07122 232 GLU M CG 7367 C CD . GLU E 89 ? 0.43112 0.65566 0.51494 -0.10151 -0.07101 -0.04157 232 GLU M CD 7368 O OE1 . GLU E 89 ? 0.38114 0.65306 0.52457 -0.12459 -0.09496 -0.03744 232 GLU M OE1 7369 O OE2 . GLU E 89 ? 0.34471 0.61928 0.51391 -0.11021 -0.08328 -0.00330 232 GLU M OE2 7376 N N . ALA E 90 ? 0.20806 0.42754 0.30213 -0.01938 0.00623 -0.05762 233 ALA M N 7377 C CA . ALA E 90 ? 0.19150 0.41499 0.27314 0.00157 -0.00947 -0.04734 233 ALA M CA 7378 C C . ALA E 90 ? 0.19246 0.41214 0.25037 0.00552 -0.04504 -0.01763 233 ALA M C 7379 O O . ALA E 90 ? 0.19387 0.41387 0.24448 0.01318 -0.04935 -0.00521 233 ALA M O 7380 C CB . ALA E 90 ? 0.19875 0.43890 0.28717 0.01389 -0.02668 -0.05169 233 ALA M CB 7386 N N . ASP E 91 ? 0.19494 0.40502 0.23265 -0.01788 -0.04227 -0.00651 234 ASP M N 7387 C CA . ASP E 91 ? 0.18953 0.42219 0.23562 -0.01244 -0.05221 -0.00487 234 ASP M CA 7388 C C . ASP E 91 ? 0.18922 0.41133 0.23186 -0.01681 -0.03605 0.02100 234 ASP M C 7389 O O . ASP E 91 ? 0.21644 0.44645 0.30408 -0.02169 -0.03499 0.05837 234 ASP M O 7390 C CB . ASP E 91 ? 0.19904 0.46595 0.25466 -0.02606 -0.06626 -0.02061 234 ASP M CB 7391 C CG . ASP E 91 ? 0.22558 0.50395 0.28491 -0.04726 -0.04112 -0.05809 234 ASP M CG 7392 O OD1 . ASP E 91 ? 0.20533 0.53329 0.32139 -0.01924 -0.04686 -0.07740 234 ASP M OD1 7393 O OD2 . ASP E 91 ? 0.28703 0.51742 0.28930 -0.04612 -0.00389 -0.04365 234 ASP M OD2 7398 N N . TYR E 92 ? 0.18630 0.35643 0.20129 -0.00548 -0.03441 -0.00946 235 TYR M N 7399 C CA . TYR E 92 ? 0.17689 0.35419 0.21433 0.00787 -0.03425 -0.03315 235 TYR M CA 7400 C C . TYR E 92 ? 0.17637 0.38518 0.20548 0.01206 -0.03049 -0.03825 235 TYR M C 7401 O O . TYR E 92 ? 0.18664 0.40276 0.20002 0.01393 -0.02989 -0.06757 235 TYR M O 7402 C CB . TYR E 92 ? 0.18673 0.34740 0.22944 0.02572 -0.02058 -0.03280 235 TYR M CB 7403 C CG . TYR E 92 ? 0.19578 0.31837 0.21161 0.03366 -0.03163 -0.05680 235 TYR M CG 7404 C CD1 . TYR E 92 ? 0.16263 0.33455 0.21944 0.02709 -0.02146 -0.06587 235 TYR M CD1 7405 C CD2 . TYR E 92 ? 0.19481 0.31621 0.21552 0.00213 -0.02721 -0.06590 235 TYR M CD2 7406 C CE1 . TYR E 92 ? 0.15154 0.33530 0.22592 -0.00142 -0.01683 -0.06958 235 TYR M CE1 7407 C CE2 . TYR E 92 ? 0.17966 0.32924 0.23633 -0.00055 -0.00405 -0.08474 235 TYR M CE2 7408 C CZ . TYR E 92 ? 0.15231 0.32855 0.24548 0.00532 0.00246 -0.08837 235 TYR M CZ 7409 O OH . TYR E 92 ? 0.17874 0.36625 0.27140 0.01986 -0.01809 -0.08694 235 TYR M OH 7419 N N . TYR E 93 ? 0.16703 0.35008 0.20074 0.02084 -0.01974 -0.05834 236 TYR M N 7420 C CA . TYR E 93 ? 0.15436 0.35605 0.19170 0.01813 -0.02605 -0.04907 236 TYR M CA 7421 C C . TYR E 93 ? 0.18059 0.33839 0.18753 0.03252 -0.02276 -0.04245 236 TYR M C 7422 O O . TYR E 93 ? 0.19639 0.35728 0.22167 0.03798 -0.00915 -0.01943 236 TYR M O 7423 C CB . TYR E 93 ? 0.17337 0.35290 0.20277 0.02065 -0.02030 -0.03211 236 TYR M CB 7424 C CG . TYR E 93 ? 0.16309 0.35765 0.17092 0.00179 -0.04631 -0.04423 236 TYR M CG 7425 C CD1 . TYR E 93 ? 0.18972 0.35752 0.16589 0.00791 -0.03621 -0.03079 236 TYR M CD1 7426 C CD2 . TYR E 93 ? 0.16872 0.39147 0.16178 0.01909 -0.02519 -0.02873 236 TYR M CD2 7427 C CE1 . TYR E 93 ? 0.17712 0.36979 0.17599 0.04245 -0.01055 -0.03344 236 TYR M CE1 7428 C CE2 . TYR E 93 ? 0.18207 0.39824 0.15092 0.02278 -0.01841 -0.03761 236 TYR M CE2 7429 C CZ . TYR E 93 ? 0.17868 0.39736 0.16837 0.01580 -0.01669 -0.04362 236 TYR M CZ 7430 O OH . TYR E 93 ? 0.20177 0.40813 0.19663 0.00830 0.01505 -0.04729 236 TYR M OH 7440 N N A CYS E 94 ? 0.20673 0.33124 0.17455 0.03148 -0.02420 -0.04053 237 CYS M N 7441 N N B CYS E 94 ? 0.21140 0.33295 0.17104 0.02332 -0.03761 -0.05222 237 CYS M N 7442 C CA A CYS E 94 ? 0.21606 0.32529 0.16593 0.02865 -0.02095 -0.03833 237 CYS M CA 7443 C CA B CYS E 94 ? 0.23746 0.33733 0.17365 0.02242 -0.04040 -0.05691 237 CYS M CA 7444 C C A CYS E 94 ? 0.21397 0.31328 0.16737 0.01569 -0.02791 -0.02692 237 CYS M C 7445 C C B CYS E 94 ? 0.23207 0.31486 0.17621 -0.00097 -0.03780 -0.03443 237 CYS M C 7446 O O A CYS E 94 ? 0.20886 0.29349 0.16854 0.03824 -0.01513 -0.01499 237 CYS M O 7447 O O B CYS E 94 ? 0.21030 0.29035 0.19301 0.00834 -0.03140 -0.03641 237 CYS M O 7448 C CB A CYS E 94 ? 0.23900 0.35918 0.18102 0.03732 0.00133 -0.02713 237 CYS M CB 7449 C CB B CYS E 94 ? 0.25977 0.36763 0.18619 0.05362 -0.04151 -0.06288 237 CYS M CB 7450 S SG A CYS E 94 ? 0.24446 0.40534 0.19397 0.02571 0.02031 0.00173 237 CYS M SG 7451 S SG B CYS E 94 ? 0.26944 0.39975 0.22361 0.09084 -0.04024 -0.05890 237 CYS M SG 7460 N N . GLN E 95 ? 0.20397 0.30401 0.17238 0.00659 -0.03606 -0.05231 238 GLN M N 7461 C CA . GLN E 95 ? 0.20337 0.31867 0.17756 0.03093 -0.04365 -0.04828 238 GLN M CA 7462 C C . GLN E 95 ? 0.20829 0.32163 0.17857 0.04799 -0.03390 -0.06291 238 GLN M C 7463 O O . GLN E 95 ? 0.21048 0.30456 0.19390 0.05560 -0.00391 -0.05100 238 GLN M O 7464 C CB . GLN E 95 ? 0.24986 0.31573 0.16862 0.05735 -0.02718 -0.02934 238 GLN M CB 7465 C CG . GLN E 95 ? 0.27356 0.28017 0.18039 0.06975 -0.02983 -0.02607 238 GLN M CG 7466 C CD . GLN E 95 ? 0.29575 0.28694 0.24380 0.05435 -0.04053 -0.05411 238 GLN M CD 7467 O OE1 . GLN E 95 ? 0.26652 0.33529 0.24629 0.05167 -0.06758 -0.04836 238 GLN M OE1 7468 N NE2 . GLN E 95 ? 0.27944 0.25345 0.26468 0.02124 -0.01465 -0.04649 238 GLN M NE2 7478 N N . SER E 96 ? 0.20940 0.30321 0.17853 0.04390 -0.01702 -0.05504 239 SER M N 7479 C CA . SER E 96 ? 0.22535 0.27082 0.16889 0.02547 -0.03706 -0.04336 239 SER M CA 7480 C C . SER E 96 ? 0.25180 0.27177 0.18486 0.03193 -0.00981 -0.02339 239 SER M C 7481 O O . SER E 96 ? 0.24113 0.30367 0.15892 0.05867 -0.01569 -0.00774 239 SER M O 7482 C CB . SER E 96 ? 0.26820 0.27405 0.16467 0.03692 -0.03688 -0.02030 239 SER M CB 7483 O OG . SER E 96 ? 0.29403 0.29224 0.18543 0.04078 -0.01783 0.00534 239 SER M OG 7489 N N . TYR E 97 ? 0.26053 0.21850 0.19148 0.03334 0.00512 -0.01501 240 TYR M N 7490 C CA . TYR E 97 ? 0.26624 0.24784 0.20854 0.06644 0.00805 -0.03754 240 TYR M CA 7491 C C . TYR E 97 ? 0.28717 0.26053 0.19953 0.05910 0.00138 -0.03847 240 TYR M C 7492 O O . TYR E 97 ? 0.31957 0.29016 0.21259 0.02046 0.02155 -0.02918 240 TYR M O 7493 C CB . TYR E 97 ? 0.26578 0.26461 0.18845 0.04167 -0.00296 -0.03680 240 TYR M CB 7494 C CG . TYR E 97 ? 0.28773 0.24864 0.19005 0.03742 -0.01807 -0.03229 240 TYR M CG 7495 C CD1 . TYR E 97 ? 0.28444 0.23893 0.18904 0.04746 -0.01113 -0.02226 240 TYR M CD1 7496 C CD2 . TYR E 97 ? 0.30398 0.26884 0.18601 0.01102 -0.02260 -0.03449 240 TYR M CD2 7497 C CE1 . TYR E 97 ? 0.26723 0.26652 0.18176 0.03390 -0.00524 -0.00946 240 TYR M CE1 7498 C CE2 . TYR E 97 ? 0.31456 0.28979 0.19243 0.02336 -0.00894 -0.03197 240 TYR M CE2 7499 C CZ . TYR E 97 ? 0.33498 0.29084 0.18572 0.03652 -0.00393 -0.02608 240 TYR M CZ 7500 O OH . TYR E 97 ? 0.38380 0.29077 0.18976 0.01697 -0.02184 -0.04686 240 TYR M OH 7510 N N . ASP E 98 ? 0.30730 0.27414 0.18789 0.05838 0.03241 -0.05115 241 ASP M N 7511 C CA . ASP E 98 ? 0.34966 0.27240 0.19523 0.06287 0.04116 -0.05421 241 ASP M CA 7512 C C . ASP E 98 ? 0.39320 0.26718 0.20416 0.06919 0.03783 -0.03170 241 ASP M C 7513 O O . ASP E 98 ? 0.41731 0.30403 0.20460 0.06452 0.03832 -0.01764 241 ASP M O 7514 C CB . ASP E 98 ? 0.35458 0.28640 0.20130 0.07610 0.03631 -0.03345 241 ASP M CB 7515 C CG . ASP E 98 ? 0.38112 0.31353 0.23994 0.06941 -0.00479 -0.03514 241 ASP M CG 7516 O OD1 . ASP E 98 ? 0.37462 0.33606 0.27015 0.05975 -0.01849 -0.03651 241 ASP M OD1 7517 O OD2 . ASP E 98 ? 0.42579 0.31367 0.27446 0.06127 -0.01752 -0.00395 241 ASP M OD2 7522 N N . ARG E 99 ? 0.42040 0.26612 0.22436 0.04565 0.03777 -0.00917 242 ARG M N 7523 C CA . ARG E 99 ? 0.42354 0.27676 0.23251 0.02972 0.03845 -0.00351 242 ARG M CA 7524 C C . ARG E 99 ? 0.47501 0.30112 0.26365 0.03621 0.01191 -0.03042 242 ARG M C 7525 O O . ARG E 99 ? 0.47090 0.34364 0.28002 0.03831 -0.02414 -0.05304 242 ARG M O 7526 C CB . ARG E 99 ? 0.41929 0.28770 0.24427 0.03368 0.04412 -0.00530 242 ARG M CB 7527 C CG . ARG E 99 ? 0.41415 0.26031 0.24725 0.05137 0.01446 -0.02161 242 ARG M CG 7528 C CD . ARG E 99 ? 0.36740 0.25344 0.24643 0.05881 0.00551 -0.03966 242 ARG M CD 7529 N NE . ARG E 99 ? 0.36574 0.29925 0.25168 0.04798 -0.02448 -0.04132 242 ARG M NE 7530 C CZ . ARG E 99 ? 0.35580 0.28479 0.23761 0.01724 -0.02239 -0.05852 242 ARG M CZ 7531 N NH1 . ARG E 99 ? 0.33947 0.25205 0.26664 -0.01391 -0.01152 -0.06785 242 ARG M NH1 7532 N NH2 . ARG E 99 ? 0.34045 0.31101 0.20876 0.01617 -0.02224 -0.05257 242 ARG M NH2 7546 N N . SER E 100 ? 0.51811 0.29476 0.31427 0.07362 0.02738 -0.02401 243 SER M N 7547 C CA . SER E 100 ? 0.60452 0.39452 0.39386 0.06810 0.06398 -0.05580 243 SER M CA 7548 C C . SER E 100 ? 0.53766 0.35711 0.34189 0.03289 0.07519 -0.06965 243 SER M C 7549 O O . SER E 100 ? 0.53830 0.32088 0.32605 -0.00324 0.08764 -0.07399 243 SER M O 7550 C CB . SER E 100 ? 0.76071 0.53869 0.51135 0.09479 0.05477 -0.04992 243 SER M CB 7551 O OG . SER E 100 ? 0.88396 0.65978 0.62209 0.07179 0.02077 -0.01788 243 SER M OG 7557 N N . ASN E 101 ? 0.48330 0.32505 0.26969 0.03023 0.05189 -0.06817 244 ASN M N 7558 C CA . ASN E 101 ? 0.45766 0.33653 0.25858 0.03999 0.04287 -0.04506 244 ASN M CA 7559 C C . ASN E 101 ? 0.43250 0.33225 0.23724 0.00396 0.05193 -0.04795 244 ASN M C 7560 O O . ASN E 101 ? 0.45638 0.32825 0.22013 -0.01741 0.05309 -0.04237 244 ASN M O 7561 C CB . ASN E 101 ? 0.47371 0.37800 0.28632 0.06443 0.04543 -0.02614 244 ASN M CB 7562 C CG . ASN E 101 ? 0.50274 0.38283 0.31883 0.09970 0.00028 -0.05981 244 ASN M CG 7563 O OD1 . ASN E 101 ? 0.52709 0.37160 0.35978 0.10684 -0.00534 -0.09389 244 ASN M OD1 7564 N ND2 . ASN E 101 ? 0.51109 0.40427 0.30397 0.12736 -0.02844 -0.04940 244 ASN M ND2 7571 N N . HIS E 102 ? 0.39745 0.32566 0.22801 -0.01059 0.02429 -0.07701 245 HIS M N 7572 C CA . HIS E 102 ? 0.42918 0.34880 0.22567 -0.02508 -0.02933 -0.07200 245 HIS M CA 7573 C C . HIS E 102 ? 0.38847 0.28097 0.19033 -0.00074 -0.04625 -0.04345 245 HIS M C 7574 O O . HIS E 102 ? 0.41454 0.28285 0.18634 0.00365 -0.05734 -0.02729 245 HIS M O 7575 C CB . HIS E 102 ? 0.54390 0.44945 0.33876 -0.05372 -0.04961 -0.06241 245 HIS M CB 7576 C CG . HIS E 102 ? 0.66006 0.57225 0.49579 -0.03114 -0.04612 -0.04414 245 HIS M CG 7577 N ND1 . HIS E 102 ? 0.70240 0.60931 0.51193 -0.01981 -0.04135 -0.03724 245 HIS M ND1 7578 C CD2 . HIS E 102 ? 0.76636 0.64791 0.57822 -0.01735 -0.03164 -0.03817 245 HIS M CD2 7579 C CE1 . HIS E 102 ? 0.73661 0.62394 0.54887 -0.01847 -0.02895 -0.03442 245 HIS M CE1 7580 N NE2 . HIS E 102 ? 0.78764 0.64190 0.58471 -0.02185 -0.02604 -0.03474 245 HIS M NE2 7588 N N . GLU E 103 ? 0.33113 0.22424 0.19843 0.01665 -0.02769 -0.01749 246 GLU M N 7589 C CA . GLU E 103 ? 0.29640 0.25344 0.19796 0.05473 -0.00706 -0.03854 246 GLU M CA 7590 C C . GLU E 103 ? 0.26983 0.26395 0.18059 0.06666 -0.01807 -0.02058 246 GLU M C 7591 O O . GLU E 103 ? 0.29280 0.28649 0.18282 0.04544 -0.02270 -0.01954 246 GLU M O 7592 C CB . GLU E 103 ? 0.30448 0.26599 0.18849 0.07166 0.00146 -0.03897 246 GLU M CB 7593 C CG . GLU E 103 ? 0.33314 0.27125 0.18314 0.07425 -0.00023 -0.03189 246 GLU M CG 7594 C CD . GLU E 103 ? 0.32710 0.30522 0.20944 0.07341 0.01956 -0.01369 246 GLU M CD 7595 O OE1 . GLU E 103 ? 0.31752 0.37272 0.20874 0.06190 0.01154 -0.04012 246 GLU M OE1 7596 O OE2 . GLU E 103 ? 0.35140 0.31982 0.23512 0.07066 0.05084 -0.02080 246 GLU M OE2 7603 N N . VAL E 104 ? 0.25629 0.25157 0.17578 0.05785 -0.00836 -0.00696 247 VAL M N 7604 C CA . VAL E 104 ? 0.22027 0.28227 0.16668 0.04258 0.00396 -0.03238 247 VAL M CA 7605 C C . VAL E 104 ? 0.24704 0.29365 0.19290 0.02955 -0.01235 -0.03052 247 VAL M C 7606 O O . VAL E 104 ? 0.24922 0.33092 0.20025 0.02117 -0.00588 -0.03806 247 VAL M O 7607 C CB . VAL E 104 ? 0.22129 0.27930 0.17826 0.01332 0.00502 -0.04072 247 VAL M CB 7608 C CG1 . VAL E 104 ? 0.25822 0.25183 0.22206 0.00740 -0.02105 -0.04817 247 VAL M CG1 7609 C CG2 . VAL E 104 ? 0.21848 0.31430 0.16727 0.03875 -0.02377 -0.02272 247 VAL M CG2 7619 N N . VAL E 105 ? 0.23481 0.28465 0.17829 0.03659 -0.00804 -0.01057 248 VAL M N 7620 C CA . VAL E 105 ? 0.24330 0.30313 0.19891 0.06043 -0.01182 -0.03702 248 VAL M CA 7621 C C . VAL E 105 ? 0.24117 0.31334 0.17547 0.06382 -0.01797 -0.03344 248 VAL M C 7622 O O . VAL E 105 ? 0.23766 0.31734 0.19342 0.07924 -0.01405 -0.03812 248 VAL M O 7623 C CB . VAL E 105 ? 0.26651 0.29699 0.20625 0.05096 -0.02519 -0.01805 248 VAL M CB 7624 C CG1 . VAL E 105 ? 0.27025 0.32133 0.23614 0.05158 -0.03371 -0.01970 248 VAL M CG1 7625 C CG2 . VAL E 105 ? 0.28772 0.27810 0.22214 0.04399 -0.01467 0.00966 248 VAL M CG2 7635 N N . PHE E 106 ? 0.25951 0.33772 0.16904 0.06404 -0.02538 -0.02798 249 PHE M N 7636 C CA . PHE E 106 ? 0.23659 0.31341 0.16004 0.05401 0.00017 -0.02169 249 PHE M CA 7637 C C . PHE E 106 ? 0.24467 0.31224 0.17288 0.06414 0.00941 -0.02893 249 PHE M C 7638 O O . PHE E 106 ? 0.24391 0.33581 0.18660 0.09328 -0.02764 -0.03930 249 PHE M O 7639 C CB . PHE E 106 ? 0.21904 0.33060 0.18807 0.04506 -0.02539 -0.04377 249 PHE M CB 7640 C CG . PHE E 106 ? 0.23101 0.32900 0.19620 0.01127 -0.02987 -0.03687 249 PHE M CG 7641 C CD1 . PHE E 106 ? 0.22855 0.35077 0.20860 -0.00094 -0.03541 -0.02322 249 PHE M CD1 7642 C CD2 . PHE E 106 ? 0.25789 0.33507 0.20138 -0.01278 -0.03651 -0.03036 249 PHE M CD2 7643 C CE1 . PHE E 106 ? 0.22534 0.34710 0.21123 0.00182 -0.05526 -0.00494 249 PHE M CE1 7644 C CE2 . PHE E 106 ? 0.25091 0.33488 0.20645 -0.03433 -0.03937 -0.01407 249 PHE M CE2 7645 C CZ . PHE E 106 ? 0.24609 0.33745 0.20845 -0.01444 -0.03559 -0.00564 249 PHE M CZ 7655 N N . GLY E 107 ? 0.24314 0.34851 0.14863 0.06371 0.00735 -0.04394 250 GLY M N 7656 C CA . GLY E 107 ? 0.24983 0.38643 0.14929 0.07825 -0.02392 -0.04722 250 GLY M CA 7657 C C . GLY E 107 ? 0.21754 0.37885 0.18206 0.07122 -0.04312 -0.05229 250 GLY M C 7658 O O . GLY E 107 ? 0.21785 0.34678 0.18844 0.04562 -0.03226 -0.05216 250 GLY M O 7662 N N . GLY E 108 ? 0.22011 0.40416 0.19380 0.07947 -0.03311 -0.07052 251 GLY M N 7663 C CA . GLY E 108 ? 0.21616 0.41906 0.22405 0.07211 -0.01691 -0.06752 251 GLY M CA 7664 C C . GLY E 108 ? 0.19336 0.42262 0.19895 0.03648 -0.01282 -0.08139 251 GLY M C 7665 O O . GLY E 108 ? 0.21055 0.46165 0.24572 0.00860 -0.01727 -0.08360 251 GLY M O 7669 N N . GLY E 109 ? 0.17793 0.43444 0.16212 0.05851 -0.02156 -0.06640 252 GLY M N 7670 C CA . GLY E 109 ? 0.17877 0.42235 0.17535 0.05862 -0.00647 -0.08453 252 GLY M CA 7671 C C . GLY E 109 ? 0.19739 0.39773 0.19227 0.05358 -0.03310 -0.07200 252 GLY M C 7672 O O . GLY E 109 ? 0.22023 0.41425 0.19935 0.08171 -0.04270 -0.09275 252 GLY M O 7676 N N . THR E 110 ? 0.19085 0.37747 0.17628 0.02923 -0.02890 -0.09324 253 THR M N 7677 C CA . THR E 110 ? 0.16745 0.39218 0.19112 0.03212 -0.00521 -0.08499 253 THR M CA 7678 C C . THR E 110 ? 0.17283 0.42709 0.21587 0.02618 -0.01363 -0.06043 253 THR M C 7679 O O . THR E 110 ? 0.18874 0.40917 0.23804 0.00748 -0.03511 -0.05665 253 THR M O 7680 C CB . THR E 110 ? 0.19250 0.39750 0.19780 0.05415 -0.00350 -0.09202 253 THR M CB 7681 O OG1 . THR E 110 ? 0.19237 0.41699 0.22542 0.06657 -0.02883 -0.08391 253 THR M OG1 7682 C CG2 . THR E 110 ? 0.23115 0.41733 0.21816 0.03018 0.01353 -0.10000 253 THR M CG2 7690 N N . LYS E 111 ? 0.16939 0.45073 0.22688 -0.00564 -0.01845 -0.06623 254 LYS M N 7691 C CA . LYS E 111 ? 0.19564 0.46069 0.25613 -0.02361 -0.03099 -0.05145 254 LYS M CA 7692 C C . LYS E 111 ? 0.21324 0.41387 0.21873 -0.02081 -0.03918 -0.05064 254 LYS M C 7693 O O . LYS E 111 ? 0.23288 0.40347 0.20860 -0.00943 -0.04723 -0.02686 254 LYS M O 7694 C CB . LYS E 111 ? 0.27296 0.58988 0.39159 -0.04668 -0.04982 -0.04470 254 LYS M CB 7695 C CG . LYS E 111 ? 0.42365 0.70789 0.49694 -0.06338 -0.03791 -0.03760 254 LYS M CG 7696 C CD . LYS E 111 ? 0.56469 0.82449 0.62671 -0.06415 -0.02413 -0.03281 254 LYS M CD 7697 C CE . LYS E 111 ? 0.77144 0.99375 0.75452 -0.07181 -0.02715 -0.02772 254 LYS M CE 7698 N NZ . LYS E 111 ? 0.84402 1.07387 0.82356 -0.08191 -0.03211 -0.02934 254 LYS M NZ 7712 N N . LEU E 112 ? 0.19074 0.41217 0.21928 0.00969 -0.03703 -0.06318 255 LEU M N 7713 C CA . LEU E 112 ? 0.17424 0.38235 0.24588 0.01684 -0.01139 -0.04620 255 LEU M CA 7714 C C . LEU E 112 ? 0.17476 0.37304 0.24652 0.00782 -0.04575 -0.03163 255 LEU M C 7715 O O . LEU E 112 ? 0.21916 0.38218 0.26189 0.00425 -0.05951 -0.00214 255 LEU M O 7716 C CB . LEU E 112 ? 0.18030 0.37109 0.27259 0.02290 -0.00512 -0.07824 255 LEU M CB 7717 C CG . LEU E 112 ? 0.18634 0.39501 0.29515 -0.00208 -0.00781 -0.07269 255 LEU M CG 7718 C CD1 . LEU E 112 ? 0.22277 0.41984 0.31826 -0.02597 -0.00889 -0.06569 255 LEU M CD1 7719 C CD2 . LEU E 112 ? 0.18942 0.41279 0.32477 0.00177 0.00246 -0.06480 255 LEU M CD2 7731 N N . THR E 113 ? 0.14741 0.35184 0.26616 -0.00218 -0.04190 -0.04099 256 THR M N 7732 C CA . THR E 113 ? 0.19229 0.37296 0.30604 -0.02425 -0.01372 -0.06893 256 THR M CA 7733 C C . THR E 113 ? 0.18064 0.33565 0.29333 0.01751 -0.01805 -0.06280 256 THR M C 7734 O O . THR E 113 ? 0.19546 0.32322 0.28956 0.02720 -0.03194 -0.06227 256 THR M O 7735 C CB . THR E 113 ? 0.19815 0.40372 0.33148 -0.04763 0.01743 -0.08551 256 THR M CB 7736 O OG1 . THR E 113 ? 0.23609 0.44741 0.37869 -0.06738 0.05069 -0.08913 256 THR M OG1 7737 C CG2 . THR E 113 ? 0.23518 0.41633 0.34925 0.01122 -0.01903 -0.09718 256 THR M CG2 7745 N N . VAL E 114 ? 0.18864 0.33661 0.28295 0.02304 -0.04175 -0.08763 257 VAL M N 7746 C CA . VAL E 114 ? 0.20337 0.32585 0.29597 0.03388 -0.04923 -0.07569 257 VAL M CA 7747 C C . VAL E 114 ? 0.23188 0.30701 0.28255 0.02378 -0.05338 -0.07349 257 VAL M C 7748 O O . VAL E 114 ? 0.25342 0.30525 0.28065 0.00427 -0.05892 0.00043 257 VAL M O 7749 C CB . VAL E 114 ? 0.20918 0.31724 0.32010 0.01169 -0.03970 -0.06307 257 VAL M CB 7750 C CG1 . VAL E 114 ? 0.24244 0.30699 0.35061 0.05081 -0.00208 -0.07176 257 VAL M CG1 7751 C CG2 . VAL E 114 ? 0.19633 0.32638 0.34346 -0.00360 -0.02018 -0.04001 257 VAL M CG2 7761 N N . LEU E 115 ? 0.18889 0.30736 0.27843 0.03490 -0.06127 -0.09062 258 LEU M N 7762 C CA . LEU E 115 ? 0.20585 0.30028 0.28220 0.02130 -0.07575 -0.08542 258 LEU M CA 7763 C C . LEU E 115 ? 0.23100 0.29235 0.29845 0.01345 -0.05219 -0.06997 258 LEU M C 7764 O O . LEU E 115 ? 0.22131 0.32694 0.33994 0.01555 -0.02101 -0.06913 258 LEU M O 7765 C CB . LEU E 115 ? 0.19188 0.30990 0.27379 0.01947 -0.04536 -0.04213 258 LEU M CB 7766 C CG . LEU E 115 ? 0.19173 0.30700 0.28958 0.02176 -0.05377 -0.00725 258 LEU M CG 7767 C CD1 . LEU E 115 ? 0.22625 0.35142 0.31442 0.01510 -0.04258 0.00832 258 LEU M CD1 7768 C CD2 . LEU E 115 ? 0.21272 0.30733 0.29919 0.01763 -0.04525 -0.00532 258 LEU M CD2 7780 N N . GLU E 116 ? 0.23383 0.31521 0.28925 -0.01892 -0.07502 -0.05282 259 GLU M N 7781 C CA . GLU E 116 ? 0.30662 0.35238 0.32233 -0.01304 -0.09576 -0.05735 259 GLU M CA 7782 C C . GLU E 116 ? 0.26875 0.29577 0.28730 -0.00083 -0.07202 -0.03102 259 GLU M C 7783 O O . GLU E 116 ? 0.27882 0.29155 0.28070 -0.01334 -0.05875 -0.02118 259 GLU M O 7784 C CB . GLU E 116 ? 0.40967 0.44392 0.37310 -0.04505 -0.10718 -0.06391 259 GLU M CB 7785 C CG . GLU E 116 ? 0.47229 0.51887 0.47697 -0.05031 -0.08167 -0.03541 259 GLU M CG 7786 C CD . GLU E 116 ? 0.56416 0.62185 0.58079 -0.08689 -0.04811 -0.02306 259 GLU M CD 7787 O OE1 . GLU E 116 ? 0.63392 0.70734 0.63805 -0.08134 -0.04145 -0.03445 259 GLU M OE1 7788 O OE2 . GLU E 116 ? 0.48220 0.65397 0.60474 -0.12196 -0.05054 -0.01698 259 GLU M OE2 7795 N N . ASN E 117 ? 0.20902 0.28279 0.25966 -0.01101 -0.07319 -0.01609 260 ASN M N 7796 C CA . ASN E 117 ? 0.21569 0.29371 0.26507 -0.00956 -0.04354 -0.01921 260 ASN M CA 7797 C C . ASN E 117 ? 0.23940 0.31860 0.26827 -0.01791 -0.00161 -0.08090 260 ASN M C 7798 O O . ASN E 117 ? 0.27097 0.40324 0.28956 -0.03870 0.03759 -0.10713 260 ASN M O 7799 C CB . ASN E 117 ? 0.18192 0.29954 0.26549 -0.00503 -0.05049 -0.02019 260 ASN M CB 7800 C CG . ASN E 117 ? 0.23453 0.32743 0.28082 0.00894 -0.02730 -0.02372 260 ASN M CG 7801 O OD1 . ASN E 117 ? 0.25553 0.33184 0.28127 0.00888 -0.03803 -0.06902 260 ASN M OD1 7802 N ND2 . ASN E 117 ? 0.27506 0.34694 0.28304 -0.01683 -0.01246 -0.01637 260 ASN M ND2 7809 N N . LEU E 118 ? 0.26101 0.30234 0.27867 -0.01902 -0.00683 -0.07505 261 LEU M N 7810 C CA . LEU E 118 ? 0.30272 0.32963 0.30854 -0.03727 -0.00086 -0.08505 261 LEU M CA 7811 C C . LEU E 118 ? 0.27528 0.34402 0.26562 -0.04364 0.01634 -0.05043 261 LEU M C 7812 O O . LEU E 118 ? 0.30535 0.40482 0.28749 -0.06254 0.02886 -0.03075 261 LEU M O 7813 C CB . LEU E 118 ? 0.35241 0.35713 0.36074 -0.05491 -0.00140 -0.11491 261 LEU M CB 7814 C CG . LEU E 118 ? 0.39060 0.38639 0.40697 -0.05431 0.03723 -0.11087 261 LEU M CG 7815 C CD1 . LEU E 118 ? 0.39129 0.39044 0.42189 -0.05570 0.07721 -0.07791 261 LEU M CD1 7816 C CD2 . LEU E 118 ? 0.40988 0.40360 0.42452 -0.03842 0.04144 -0.13780 261 LEU M CD2 7828 N N . TYR E 119 ? 0.26439 0.33250 0.22667 -0.01353 0.01247 -0.04299 262 TYR M N 7829 C CA . TYR E 119 ? 0.32133 0.33086 0.18902 -0.01201 -0.00796 -0.02852 262 TYR M CA 7830 C C . TYR E 119 ? 0.30508 0.34170 0.19168 0.01367 -0.02759 -0.02992 262 TYR M C 7831 O O . TYR E 119 ? 0.29272 0.35832 0.19747 0.02605 -0.04652 -0.01445 262 TYR M O 7832 C CB . TYR E 119 ? 0.36575 0.34222 0.20975 -0.06685 -0.00711 -0.02567 262 TYR M CB 7833 C CG . TYR E 119 ? 0.35722 0.35826 0.22086 -0.07663 0.02147 -0.05111 262 TYR M CG 7834 C CD1 . TYR E 119 ? 0.39361 0.37377 0.25346 -0.07577 0.04502 -0.08271 262 TYR M CD1 7835 C CD2 . TYR E 119 ? 0.35648 0.36640 0.20514 -0.06869 -0.00364 -0.06474 262 TYR M CD2 7836 C CE1 . TYR E 119 ? 0.39419 0.36636 0.26197 -0.08441 0.07188 -0.08504 262 TYR M CE1 7837 C CE2 . TYR E 119 ? 0.37508 0.36812 0.22523 -0.08929 0.03189 -0.07390 262 TYR M CE2 7838 C CZ . TYR E 119 ? 0.40191 0.38392 0.25630 -0.09128 0.06868 -0.07788 262 TYR M CZ 7839 O OH . TYR E 119 ? 0.42339 0.40238 0.29710 -0.09328 0.07166 -0.08171 262 TYR M OH 7849 N N . PHE E 120 ? 0.28954 0.34796 0.21633 -0.00697 -0.02069 -0.02375 263 PHE M N 7850 C CA . PHE E 120 ? 0.29018 0.38480 0.24309 0.00823 -0.01826 -0.00969 263 PHE M CA 7851 C C . PHE E 120 ? 0.30616 0.45802 0.23084 0.00861 -0.04688 -0.00535 263 PHE M C 7852 O O . PHE E 120 ? 0.32062 0.51712 0.22575 -0.00423 -0.03671 -0.00077 263 PHE M O 7853 C CB . PHE E 120 ? 0.28058 0.36497 0.25661 0.02080 -0.03204 0.01049 263 PHE M CB 7854 C CG . PHE E 120 ? 0.25707 0.37645 0.25945 0.00662 -0.01757 -0.01195 263 PHE M CG 7855 C CD1 . PHE E 120 ? 0.28582 0.41331 0.27247 0.03390 -0.01476 -0.02068 263 PHE M CD1 7856 C CD2 . PHE E 120 ? 0.26570 0.38607 0.27425 -0.00512 -0.02273 -0.03696 263 PHE M CD2 7857 C CE1 . PHE E 120 ? 0.28114 0.40949 0.28523 0.02463 -0.00035 -0.02811 263 PHE M CE1 7858 C CE2 . PHE E 120 ? 0.28926 0.38429 0.28968 -0.01817 -0.00465 -0.03801 263 PHE M CE2 7859 C CZ . PHE E 120 ? 0.28418 0.39280 0.29495 -0.00407 -0.00521 -0.02714 263 PHE M CZ 7869 N N . GLN E 121 ? 0.29337 0.48650 0.25507 0.03439 -0.07307 -0.01817 264 GLN M N 7870 C CA . GLN E 121 ? 0.31679 0.51345 0.27105 0.04773 -0.07206 -0.02575 264 GLN M CA 7871 C C . GLN E 121 ? 0.37622 0.54471 0.31567 0.05875 -0.07258 -0.01165 264 GLN M C 7872 O O . GLN E 121 ? 0.43568 0.53903 0.31815 0.06128 -0.05449 0.02471 264 GLN M O 7873 C CB . GLN E 121 ? 0.33792 0.53110 0.30271 0.01388 -0.07057 -0.04652 264 GLN M CB 7874 C CG . GLN E 121 ? 0.32958 0.53378 0.29117 0.00517 -0.06479 -0.07020 264 GLN M CG 7875 C CD . GLN E 121 ? 0.31603 0.51410 0.27763 0.03717 -0.01763 -0.08801 264 GLN M CD 7876 O OE1 . GLN E 121 ? 0.34717 0.48964 0.24245 0.03962 -0.03712 -0.09215 264 GLN M OE1 7877 N NE2 . GLN E 121 ? 0.28155 0.54095 0.32160 0.02321 0.01219 -0.09507 264 GLN M NE2 7878 O OXT . GLN E 121 ? 0.40364 0.55059 0.36212 0.03379 -0.05945 -0.02106 264 GLN M OXT 7887 N N . GLN F 2 ? 0.90522 1.17623 1.12387 -0.01960 0.10787 0.11775 1 GLN B N 7888 C CA . GLN F 2 ? 0.75112 0.99738 0.99133 -0.02914 0.11082 0.12280 1 GLN B CA 7889 C C . GLN F 2 ? 0.57644 0.79932 0.79800 -0.04363 0.10549 0.10970 1 GLN B C 7890 O O . GLN F 2 ? 0.53376 0.79477 0.78261 -0.05694 0.13359 0.11982 1 GLN B O 7891 C CB . GLN F 2 ? 0.83830 1.06735 1.03965 -0.03282 0.12063 0.14834 1 GLN B CB 7892 C CG . GLN F 2 ? 0.89368 1.12035 1.09278 -0.03406 0.12857 0.16893 1 GLN B CG 7893 C CD . GLN F 2 ? 0.93204 1.14612 1.12907 -0.03411 0.12949 0.17715 1 GLN B CD 7894 O OE1 . GLN F 2 ? 0.95393 1.18566 1.10719 -0.03512 0.12518 0.17963 1 GLN B OE1 7895 N NE2 . GLN F 2 ? 0.98860 1.17385 1.17146 -0.03146 0.13131 0.17668 1 GLN B NE2 7904 N N . VAL F 3 ? 0.49892 0.70196 0.67880 -0.03350 0.07790 0.08505 2 VAL B N 7905 C CA . VAL F 3 ? 0.39869 0.63333 0.57917 -0.03485 0.05893 0.06222 2 VAL B CA 7906 C C . VAL F 3 ? 0.35073 0.55771 0.46625 -0.05721 0.03735 0.05184 2 VAL B C 7907 O O . VAL F 3 ? 0.34388 0.59877 0.43087 -0.06023 0.06853 0.01686 2 VAL B O 7908 C CB . VAL F 3 ? 0.41816 0.67143 0.65472 -0.01592 0.06558 0.04012 2 VAL B CB 7909 C CG1 . VAL F 3 ? 0.41997 0.65979 0.66284 -0.02521 0.07215 0.01676 2 VAL B CG1 7910 C CG2 . VAL F 3 ? 0.50296 0.72370 0.69087 0.01141 0.06010 0.04632 2 VAL B CG2 7920 N N . GLN F 4 ? 0.27271 0.41520 0.39884 -0.07628 0.00826 0.08734 3 GLN B N 7921 C CA . GLN F 4 ? 0.30138 0.40187 0.38957 -0.05302 -0.00650 0.08861 3 GLN B CA 7922 C C . GLN F 4 ? 0.22881 0.31790 0.29683 -0.02267 -0.02583 0.03641 3 GLN B C 7923 O O . GLN F 4 ? 0.21045 0.31507 0.28251 -0.02342 -0.01412 0.01451 3 GLN B O 7924 C CB . GLN F 4 ? 0.41398 0.50413 0.51939 -0.01679 0.01451 0.09090 3 GLN B CB 7925 C CG . GLN F 4 ? 0.52174 0.60755 0.67618 -0.00371 0.02463 0.07677 3 GLN B CG 7926 C CD . GLN F 4 ? 0.69664 0.75273 0.82577 -0.00743 0.03008 0.07763 3 GLN B CD 7927 O OE1 . GLN F 4 ? 0.77804 0.83049 0.90376 -0.01792 0.02365 0.07452 3 GLN B OE1 7928 N NE2 . GLN F 4 ? 0.72932 0.76908 0.85141 0.00085 0.04519 0.08079 3 GLN B NE2 7937 N N . LEU F 5 ? 0.22381 0.29370 0.25130 0.02201 -0.00765 -0.00167 4 LEU B N 7938 C CA . LEU F 5 ? 0.20088 0.26145 0.23111 0.01398 -0.01393 -0.00594 4 LEU B CA 7939 C C . LEU F 5 ? 0.21563 0.26554 0.23915 0.01244 -0.03138 -0.01332 4 LEU B C 7940 O O . LEU F 5 ? 0.23791 0.27890 0.23048 0.01283 -0.02448 -0.01327 4 LEU B O 7941 C CB . LEU F 5 ? 0.20564 0.28555 0.23553 0.01547 -0.01477 0.00131 4 LEU B CB 7942 C CG . LEU F 5 ? 0.21526 0.26324 0.23913 0.02579 -0.01835 -0.00615 4 LEU B CG 7943 C CD1 . LEU F 5 ? 0.22037 0.25032 0.24955 -0.00772 -0.02603 -0.00914 4 LEU B CD1 7944 C CD2 . LEU F 5 ? 0.22817 0.27005 0.28308 0.04576 -0.01958 -0.00521 4 LEU B CD2 7956 N N . VAL F 6 ? 0.19556 0.25419 0.24673 0.01188 -0.02289 0.00616 5 VAL B N 7957 C CA . VAL F 6 ? 0.22237 0.24420 0.26543 0.01465 -0.01580 0.01587 5 VAL B CA 7958 C C . VAL F 6 ? 0.19269 0.27270 0.23868 0.03445 -0.01879 0.00399 5 VAL B C 7959 O O . VAL F 6 ? 0.21559 0.27741 0.20329 0.01397 -0.01861 0.02581 5 VAL B O 7960 C CB . VAL F 6 ? 0.24770 0.23102 0.29688 -0.01899 0.02549 -0.01592 5 VAL B CB 7961 C CG1 . VAL F 6 ? 0.28300 0.27513 0.32979 -0.01878 0.02540 -0.05754 5 VAL B CG1 7962 C CG2 . VAL F 6 ? 0.29818 0.23771 0.33853 -0.02114 0.05309 -0.02812 5 VAL B CG2 7972 N N . GLN F 7 ? 0.19876 0.27981 0.22720 0.03686 -0.00452 -0.00710 6 GLN B N 7973 C CA . GLN F 7 ? 0.19348 0.24948 0.21067 0.02334 -0.01326 -0.01948 6 GLN B CA 7974 C C . GLN F 7 ? 0.22439 0.19830 0.22719 0.03799 -0.01329 -0.03272 6 GLN B C 7975 O O . GLN F 7 ? 0.23298 0.20069 0.23867 0.00480 -0.00930 -0.02269 6 GLN B O 7976 C CB . GLN F 7 ? 0.23284 0.24063 0.18643 0.02197 -0.00490 -0.02309 6 GLN B CB 7977 C CG . GLN F 7 ? 0.22708 0.21737 0.18264 0.00956 0.01263 -0.01795 6 GLN B CG 7978 C CD . GLN F 7 ? 0.20254 0.23322 0.17919 0.01796 -0.00478 -0.01140 6 GLN B CD 7979 O OE1 . GLN F 7 ? 0.23290 0.24174 0.18452 0.02988 0.01318 -0.00816 6 GLN B OE1 7980 N NE2 . GLN F 7 ? 0.24206 0.27901 0.19310 0.01810 -0.00690 -0.02631 6 GLN B NE2 7989 N N . SER F 8 ? 0.22966 0.20793 0.23008 0.03560 -0.01036 -0.04086 7 SER B N 7990 C CA . SER F 8 ? 0.24174 0.22311 0.23063 -0.00688 -0.00307 -0.04366 7 SER B CA 7991 C C . SER F 8 ? 0.25122 0.25261 0.22474 0.02173 -0.00470 -0.04243 7 SER B C 7992 O O . SER F 8 ? 0.21736 0.27588 0.21895 0.02850 -0.01619 -0.01921 7 SER B O 7993 C CB . SER F 8 ? 0.22254 0.24580 0.23410 -0.03697 -0.00956 -0.00827 7 SER B CB 7994 O OG . SER F 8 ? 0.24159 0.25149 0.22701 0.00018 0.00188 -0.01743 7 SER B OG 8000 N N . GLY F 9 ? 0.23990 0.24390 0.24610 0.04384 0.00232 -0.04358 8 GLY B N 8001 C CA . GLY F 9 ? 0.23700 0.26151 0.24741 0.05201 0.02183 -0.03273 8 GLY B CA 8002 C C . GLY F 9 ? 0.22599 0.26206 0.26791 0.02614 0.00926 -0.04551 8 GLY B C 8003 O O . GLY F 9 ? 0.23443 0.26178 0.25029 0.02027 0.01481 -0.04776 8 GLY B O 8007 N N . ALA F 10 ? 0.20129 0.24966 0.28532 0.03871 0.00607 -0.04913 9 ALA B N 8008 C CA . ALA F 10 ? 0.18525 0.25804 0.27140 0.02358 -0.00443 -0.04142 9 ALA B CA 8009 C C . ALA F 10 ? 0.21334 0.28324 0.25412 -0.00823 0.00211 -0.04881 9 ALA B C 8010 O O . ALA F 10 ? 0.23661 0.31445 0.25912 0.00493 0.00648 -0.03793 9 ALA B O 8011 C CB . ALA F 10 ? 0.19794 0.23990 0.28974 0.01440 0.00244 -0.04826 9 ALA B CB 8017 N N . GLU F 11 ? 0.22092 0.26601 0.23352 0.00822 0.01232 -0.03729 10 GLU B N 8018 C CA . GLU F 11 ? 0.23826 0.30705 0.22363 0.02108 0.01543 -0.04272 10 GLU B CA 8019 C C . GLU F 11 ? 0.22680 0.29587 0.21037 -0.00217 0.02591 -0.05040 10 GLU B C 8020 O O . GLU F 11 ? 0.23243 0.29765 0.23725 0.02157 -0.00479 -0.07156 10 GLU B O 8021 C CB . GLU F 11 ? 0.24949 0.38630 0.25596 0.03335 -0.00735 0.00786 10 GLU B CB 8022 C CG . GLU F 11 ? 0.33233 0.46057 0.30425 0.01314 -0.03086 0.02819 10 GLU B CG 8023 C CD . GLU F 11 ? 0.46618 0.52766 0.38868 0.03149 -0.03631 0.02044 10 GLU B CD 8024 O OE1 . GLU F 11 ? 0.45384 0.52564 0.37645 0.03949 -0.01853 0.03636 10 GLU B OE1 8025 O OE2 . GLU F 11 ? 0.37313 0.53385 0.34459 0.05707 -0.04653 -0.00311 10 GLU B OE2 8032 N N . VAL F 12 ? 0.22132 0.29015 0.21099 0.01136 -0.00783 -0.07149 11 VAL B N 8033 C CA . VAL F 12 ? 0.19852 0.28763 0.19182 0.02232 -0.01418 -0.04293 11 VAL B CA 8034 C C . VAL F 12 ? 0.22123 0.30215 0.18283 0.00930 -0.01595 -0.02605 11 VAL B C 8035 O O . VAL F 12 ? 0.26462 0.31254 0.21384 0.01386 -0.01970 -0.02320 11 VAL B O 8036 C CB . VAL F 12 ? 0.23761 0.27526 0.21686 0.02737 -0.00952 -0.04702 11 VAL B CB 8037 C CG1 . VAL F 12 ? 0.27199 0.29451 0.24732 0.01218 -0.01977 -0.03881 11 VAL B CG1 8038 C CG2 . VAL F 12 ? 0.27860 0.26175 0.24858 0.02420 0.00752 -0.05001 11 VAL B CG2 8048 N N . LYS F 13 ? 0.19229 0.30317 0.18306 0.03486 -0.01711 -0.00476 12 LYS B N 8049 C CA . LYS F 13 ? 0.19810 0.32740 0.17508 0.02617 -0.01004 0.00940 12 LYS B CA 8050 C C . LYS F 13 ? 0.20646 0.36619 0.17176 0.03008 -0.00906 -0.00733 12 LYS B C 8051 O O . LYS F 13 ? 0.20851 0.38095 0.18407 0.02571 -0.01497 0.00761 12 LYS B O 8052 C CB . LYS F 13 ? 0.20719 0.34163 0.21581 0.02071 -0.02031 0.00628 12 LYS B CB 8053 C CG . LYS F 13 ? 0.21886 0.35319 0.22714 0.02187 -0.04571 -0.01434 12 LYS B CG 8054 C CD . LYS F 13 ? 0.28151 0.41223 0.23004 0.03276 -0.04163 -0.02812 12 LYS B CD 8055 C CE . LYS F 13 ? 0.34244 0.45432 0.21731 0.03083 -0.05403 -0.02406 12 LYS B CE 8056 N NZ . LYS F 13 ? 0.39882 0.51350 0.27646 0.03833 -0.05200 -0.04864 12 LYS B NZ 8070 N N . LYS F 14 ? 0.20365 0.39778 0.18487 0.01085 0.00602 -0.00355 13 LYS B N 8071 C CA . LYS F 14 ? 0.19822 0.41149 0.21816 0.02655 0.02529 -0.00926 13 LYS B CA 8072 C C . LYS F 14 ? 0.15590 0.39603 0.23259 0.02790 0.02912 0.01087 13 LYS B C 8073 O O . LYS F 14 ? 0.19993 0.39103 0.22829 0.01159 0.00335 0.02545 13 LYS B O 8074 C CB . LYS F 14 ? 0.24151 0.47939 0.25763 0.04283 0.04765 0.00278 13 LYS B CB 8075 C CG . LYS F 14 ? 0.26868 0.55186 0.32188 0.07477 0.04775 -0.00902 13 LYS B CG 8076 C CD . LYS F 14 ? 0.35847 0.63380 0.41835 0.06843 0.05559 -0.00568 13 LYS B CD 8077 C CE . LYS F 14 ? 0.42007 0.69488 0.51462 0.06221 0.06819 -0.01057 13 LYS B CE 8078 N NZ . LYS F 14 ? 0.48577 0.79761 0.62546 0.05932 0.07372 -0.01365 13 LYS B NZ 8092 N N . PRO F 15 ? 0.18453 0.43107 0.25290 0.01165 0.00212 0.04554 14 PRO B N 8093 C CA . PRO F 15 ? 0.19694 0.42104 0.24165 -0.01710 0.00180 0.05498 14 PRO B CA 8094 C C . PRO F 15 ? 0.22349 0.42641 0.24504 0.00774 0.01101 0.06613 14 PRO B C 8095 O O . PRO F 15 ? 0.24155 0.42913 0.25045 -0.00877 0.03853 0.06237 14 PRO B O 8096 C CB . PRO F 15 ? 0.25038 0.43863 0.30033 -0.02922 -0.03999 0.04409 14 PRO B CB 8097 C CG . PRO F 15 ? 0.22571 0.43102 0.30629 -0.03253 -0.03574 0.05256 14 PRO B CG 8098 C CD . PRO F 15 ? 0.20421 0.43122 0.30570 -0.01072 -0.01855 0.04126 14 PRO B CD 8106 N N . GLY F 16 ? 0.21100 0.41198 0.22095 0.00826 0.00454 0.05968 15 GLY B N 8107 C CA . GLY F 16 ? 0.18991 0.40882 0.20344 0.01097 -0.00968 0.04105 15 GLY B CA 8108 C C . GLY F 16 ? 0.18926 0.39944 0.21275 -0.01359 -0.00012 0.02460 15 GLY B C 8109 O O . GLY F 16 ? 0.25270 0.41202 0.25188 -0.01880 -0.00118 0.04067 15 GLY B O 8113 N N . SER F 17 ? 0.17846 0.38071 0.23091 -0.01211 0.02663 0.03147 16 SER B N 8114 C CA . SER F 17 ? 0.20484 0.38742 0.22269 0.01801 0.01702 0.01955 16 SER B CA 8115 C C . SER F 17 ? 0.22360 0.37840 0.19910 0.01040 0.01285 0.01538 16 SER B C 8116 O O . SER F 17 ? 0.20689 0.36222 0.20676 0.00611 -0.00246 -0.00472 16 SER B O 8117 C CB . SER F 17 ? 0.23242 0.40785 0.23926 0.02929 -0.01465 0.03846 16 SER B CB 8118 O OG . SER F 17 ? 0.26526 0.41394 0.27086 0.02999 -0.00892 0.03555 16 SER B OG 8124 N N . SER F 18 ? 0.22843 0.37173 0.20071 0.01785 -0.00015 0.01206 17 SER B N 8125 C CA . SER F 18 ? 0.21895 0.39507 0.20628 0.05119 -0.01126 0.01159 17 SER B CA 8126 C C . SER F 18 ? 0.20414 0.36722 0.21441 0.03073 0.02135 -0.02144 17 SER B C 8127 O O . SER F 18 ? 0.23226 0.38878 0.23777 0.03005 0.02187 -0.02591 17 SER B O 8128 C CB . SER F 18 ? 0.25446 0.41848 0.25085 0.07205 -0.01679 0.02401 17 SER B CB 8129 O OG . SER F 18 ? 0.29599 0.43469 0.27029 0.06541 -0.01225 0.04731 17 SER B OG 8135 N N . VAL F 19 ? 0.19100 0.34113 0.19974 0.01838 0.00894 -0.00648 18 VAL B N 8136 C CA . VAL F 19 ? 0.19680 0.32573 0.22363 -0.00834 0.00808 0.00058 18 VAL B CA 8137 C C . VAL F 19 ? 0.19799 0.27408 0.21297 0.02202 0.00924 0.00406 18 VAL B C 8138 O O . VAL F 19 ? 0.21766 0.29681 0.22759 0.02982 0.02265 0.00537 18 VAL B O 8139 C CB . VAL F 19 ? 0.21322 0.35684 0.23467 0.02949 -0.00679 -0.00261 18 VAL B CB 8140 C CG1 . VAL F 19 ? 0.21418 0.38071 0.22520 0.06063 -0.02202 -0.01267 18 VAL B CG1 8141 C CG2 . VAL F 19 ? 0.21818 0.37992 0.23941 -0.00005 -0.02299 -0.01216 18 VAL B CG2 8151 N N . LYS F 20 ? 0.20752 0.27751 0.21022 0.00976 -0.00432 0.00427 19 LYS B N 8152 C CA . LYS F 20 ? 0.20747 0.27307 0.19526 0.01683 -0.02883 0.01304 19 LYS B CA 8153 C C . LYS F 20 ? 0.25345 0.25333 0.17994 -0.01387 -0.01385 -0.01385 19 LYS B C 8154 O O . LYS F 20 ? 0.33658 0.27090 0.19118 -0.01480 -0.00643 -0.04104 19 LYS B O 8155 C CB . LYS F 20 ? 0.20836 0.30983 0.19688 0.03150 -0.03606 0.01086 19 LYS B CB 8156 C CG . LYS F 20 ? 0.22093 0.33705 0.21194 0.03658 -0.04200 0.00081 19 LYS B CG 8157 C CD . LYS F 20 ? 0.23659 0.37689 0.20081 0.04547 -0.03231 -0.01006 19 LYS B CD 8158 C CE . LYS F 20 ? 0.26044 0.40034 0.19602 0.04450 -0.05276 -0.01491 19 LYS B CE 8159 N NZ . LYS F 20 ? 0.30654 0.41435 0.21777 0.02721 -0.01389 -0.01615 19 LYS B NZ 8173 N N . VAL F 21 ? 0.21966 0.23327 0.18851 0.01467 -0.00049 -0.00551 20 VAL B N 8174 C CA . VAL F 21 ? 0.22116 0.25770 0.19580 -0.00733 -0.00010 0.00965 20 VAL B CA 8175 C C . VAL F 21 ? 0.19690 0.25143 0.18618 0.00246 0.01171 0.00515 20 VAL B C 8176 O O . VAL F 21 ? 0.22344 0.26155 0.19732 0.02116 -0.01042 -0.00557 20 VAL B O 8177 C CB . VAL F 21 ? 0.22647 0.25220 0.18504 -0.00084 -0.00968 0.01501 20 VAL B CB 8178 C CG1 . VAL F 21 ? 0.23477 0.25160 0.20293 0.03219 -0.01074 0.01873 20 VAL B CG1 8179 C CG2 . VAL F 21 ? 0.20913 0.27118 0.20395 0.01518 0.01977 -0.00295 20 VAL B CG2 8189 N N . SER F 22 ? 0.19354 0.25391 0.19282 0.01880 0.00625 0.00266 21 SER B N 8190 C CA . SER F 22 ? 0.16639 0.26576 0.20967 0.01777 0.00193 -0.00657 21 SER B CA 8191 C C . SER F 22 ? 0.20412 0.27164 0.21720 0.04744 -0.00835 0.01859 21 SER B C 8192 O O . SER F 22 ? 0.20972 0.25407 0.21112 0.04230 0.01821 0.01618 21 SER B O 8193 C CB . SER F 22 ? 0.19778 0.32136 0.24761 0.00976 -0.01691 -0.02456 21 SER B CB 8194 O OG . SER F 22 ? 0.22366 0.32851 0.25928 0.05561 -0.00245 -0.04053 21 SER B OG 8200 N N . CYS F 23 ? 0.15881 0.26791 0.20340 0.01045 -0.01703 0.02817 22 CYS B N 8201 C CA . CYS F 23 ? 0.17618 0.28389 0.21384 -0.01341 -0.02668 0.02398 22 CYS B CA 8202 C C . CYS F 23 ? 0.17553 0.25170 0.21519 0.00265 -0.00795 0.02709 22 CYS B C 8203 O O . CYS F 23 ? 0.21046 0.27436 0.23206 0.00432 -0.03192 0.01471 22 CYS B O 8204 C CB . CYS F 23 ? 0.23428 0.33169 0.21886 -0.00958 -0.01757 0.02355 22 CYS B CB 8205 S SG . CYS F 23 ? 0.23739 0.32555 0.21825 0.02371 -0.00480 -0.00280 22 CYS B SG 8210 N N . LYS F 24 ? 0.20879 0.22344 0.22727 -0.01574 -0.00843 0.00632 23 LYS B N 8211 C CA . LYS F 24 ? 0.19806 0.23412 0.24666 -0.03169 -0.01664 -0.00924 23 LYS B CA 8212 C C . LYS F 24 ? 0.20412 0.25774 0.23567 0.00330 -0.02901 0.02318 23 LYS B C 8213 O O . LYS F 24 ? 0.21889 0.28015 0.23835 0.00808 -0.03075 0.02336 23 LYS B O 8214 C CB . LYS F 24 ? 0.23472 0.27994 0.31338 -0.05495 -0.02489 -0.04115 23 LYS B CB 8215 C CG . LYS F 24 ? 0.28604 0.34927 0.36999 -0.06887 -0.00645 -0.04164 23 LYS B CG 8216 C CD . LYS F 24 ? 0.38966 0.40747 0.43447 -0.06850 -0.02767 -0.04169 23 LYS B CD 8217 C CE . LYS F 24 ? 0.49956 0.45506 0.49605 -0.07295 -0.01222 -0.05143 23 LYS B CE 8218 N NZ . LYS F 24 ? 0.59048 0.54133 0.56858 -0.05124 -0.00019 -0.04595 23 LYS B NZ 8232 N N . ALA F 25 ? 0.21903 0.25325 0.23021 0.02323 -0.02878 0.02373 24 ALA B N 8233 C CA . ALA F 25 ? 0.23455 0.27713 0.25725 -0.00440 -0.02968 0.01789 24 ALA B CA 8234 C C . ALA F 25 ? 0.24122 0.27977 0.24985 0.00333 -0.02254 0.02296 24 ALA B C 8235 O O . ALA F 25 ? 0.25116 0.29964 0.23358 -0.01204 -0.04491 0.00595 24 ALA B O 8236 C CB . ALA F 25 ? 0.28549 0.30638 0.27373 0.01022 -0.04569 0.00841 24 ALA B CB 8242 N N . SER F 26 ? 0.25939 0.27117 0.28076 -0.00900 -0.00703 0.01526 25 SER B N 8243 C CA . SER F 26 ? 0.30722 0.29710 0.30906 -0.05682 0.00778 0.02174 25 SER B CA 8244 C C . SER F 26 ? 0.28752 0.33503 0.31227 -0.08245 0.00172 0.02568 25 SER B C 8245 O O . SER F 26 ? 0.29275 0.40320 0.34311 -0.06514 0.01802 -0.01470 25 SER B O 8246 C CB . SER F 26 ? 0.33953 0.32315 0.31378 -0.03653 -0.01106 0.03384 25 SER B CB 8247 O OG . SER F 26 ? 0.32859 0.38001 0.32171 -0.02331 -0.00978 0.05311 25 SER B OG 8253 N N . GLY F 27 ? 0.33885 0.36879 0.34033 -0.08264 0.00575 0.05571 26 GLY B N 8254 C CA . GLY F 27 ? 0.33325 0.36404 0.36372 -0.04441 0.03454 0.06094 26 GLY B CA 8255 C C . GLY F 27 ? 0.36645 0.32329 0.31263 -0.01274 0.03940 0.01694 26 GLY B C 8256 O O . GLY F 27 ? 0.41167 0.31279 0.33165 -0.01526 0.03828 0.03059 26 GLY B O 8260 N N . GLY F 28 ? 0.38617 0.30546 0.30561 0.01418 0.01000 -0.04579 27 GLY B N 8261 C CA . GLY F 28 ? 0.37664 0.31150 0.30742 0.01608 -0.01689 -0.07584 27 GLY B CA 8262 C C . GLY F 28 ? 0.34548 0.26973 0.24732 0.00151 -0.03888 -0.06339 27 GLY B C 8263 O O . GLY F 28 ? 0.39510 0.29123 0.25685 -0.01961 -0.08162 -0.05793 27 GLY B O 8267 N N . THR F 29 ? 0.29792 0.24185 0.22804 0.00021 -0.02717 -0.04285 28 THR B N 8268 C CA . THR F 29 ? 0.27500 0.24566 0.22295 0.01347 -0.01380 -0.04980 28 THR B CA 8269 C C . THR F 29 ? 0.26352 0.22911 0.21552 0.01782 -0.02722 -0.04364 28 THR B C 8270 O O . THR F 29 ? 0.28893 0.23046 0.23470 0.00497 -0.03213 -0.01993 28 THR B O 8271 C CB . THR F 29 ? 0.27536 0.28105 0.23725 -0.00912 -0.02399 -0.01449 28 THR B CB 8272 O OG1 . THR F 29 ? 0.23449 0.28479 0.23740 -0.03588 -0.03741 -0.02338 28 THR B OG1 8273 C CG2 . THR F 29 ? 0.28209 0.31126 0.24937 -0.00170 -0.00704 -0.00196 28 THR B CG2 8281 N N . PHE F 30 ? 0.22531 0.21941 0.19273 -0.00081 -0.01755 -0.05215 29 PHE B N 8282 C CA . PHE F 30 ? 0.22014 0.22880 0.18736 -0.01524 0.00686 -0.03355 29 PHE B CA 8283 C C . PHE F 30 ? 0.19265 0.25063 0.20330 0.00245 -0.00266 -0.02764 29 PHE B C 8284 O O . PHE F 30 ? 0.20091 0.25779 0.18960 0.03854 -0.02060 -0.02117 29 PHE B O 8285 C CB . PHE F 30 ? 0.21367 0.23942 0.16607 0.00100 -0.00150 -0.02805 29 PHE B CB 8286 C CG . PHE F 30 ? 0.21438 0.24731 0.17565 0.01224 0.01046 -0.03221 29 PHE B CG 8287 C CD1 . PHE F 30 ? 0.23935 0.30519 0.17484 0.02074 0.01390 -0.01903 29 PHE B CD1 8288 C CD2 . PHE F 30 ? 0.24143 0.23118 0.20697 0.00559 0.04124 -0.02972 29 PHE B CD2 8289 C CE1 . PHE F 30 ? 0.24957 0.33810 0.20198 0.01232 0.01638 -0.03786 29 PHE B CE1 8290 C CE2 . PHE F 30 ? 0.25411 0.27197 0.20917 0.00305 0.03763 -0.03469 29 PHE B CE2 8291 C CZ . PHE F 30 ? 0.23461 0.33291 0.20223 -0.00533 0.02319 -0.04201 29 PHE B CZ 8301 N N A SER F 31 ? 0.18221 0.26930 0.20942 -0.00870 0.00401 -0.02346 30 SER B N 8302 N N B SER F 31 ? 0.18312 0.26723 0.19994 -0.00702 0.00274 -0.02264 30 SER B N 8303 C CA A SER F 31 ? 0.19575 0.27616 0.22315 0.01979 0.00261 -0.03530 30 SER B CA 8304 C CA B SER F 31 ? 0.17310 0.26242 0.19982 0.01661 -0.00197 -0.02594 30 SER B CA 8305 C C A SER F 31 ? 0.19653 0.25258 0.20332 0.05247 -0.00154 -0.04833 30 SER B C 8306 C C B SER F 31 ? 0.18474 0.25410 0.20088 0.03131 -0.00757 -0.04276 30 SER B C 8307 O O A SER F 31 ? 0.22943 0.23112 0.18925 0.04087 -0.02253 -0.04807 30 SER B O 8308 O O B SER F 31 ? 0.19443 0.24539 0.19932 0.00126 -0.02623 -0.04425 30 SER B O 8309 C CB A SER F 31 ? 0.24805 0.29309 0.25491 -0.01611 0.01765 -0.04820 30 SER B CB 8310 C CB B SER F 31 ? 0.17461 0.27385 0.22033 -0.00581 0.01961 -0.02113 30 SER B CB 8311 O OG A SER F 31 ? 0.29349 0.32068 0.30299 -0.05156 0.02143 -0.04456 30 SER B OG 8312 O OG B SER F 31 ? 0.16453 0.31362 0.23477 -0.03057 0.03506 -0.00158 30 SER B OG 8323 N N . SER F 32 ? 0.16596 0.24480 0.18572 0.01360 -0.01827 -0.03357 31 SER B N 8324 C CA . SER F 32 ? 0.16090 0.25483 0.17825 -0.00353 0.00290 -0.02406 31 SER B CA 8325 C C . SER F 32 ? 0.18097 0.24803 0.15234 0.01644 -0.00495 -0.03421 31 SER B C 8326 O O . SER F 32 ? 0.17315 0.25602 0.16163 0.00990 -0.02328 -0.03876 31 SER B O 8327 C CB . SER F 32 ? 0.17096 0.27672 0.19584 -0.00558 0.00524 -0.01186 31 SER B CB 8328 O OG . SER F 32 ? 0.18927 0.27982 0.21779 -0.00501 0.02844 -0.00095 31 SER B OG 8334 N N . TYR F 33 ? 0.17616 0.23321 0.17647 0.01855 -0.00706 -0.02614 32 TYR B N 8335 C CA . TYR F 33 ? 0.18951 0.23702 0.16161 0.02219 -0.01509 -0.01111 32 TYR B CA 8336 C C . TYR F 33 ? 0.19333 0.24618 0.15296 0.01449 -0.02239 -0.01572 32 TYR B C 8337 O O . TYR F 33 ? 0.18879 0.29513 0.17142 0.02219 -0.02464 -0.01094 32 TYR B O 8338 C CB . TYR F 33 ? 0.22591 0.26352 0.18351 0.01488 -0.02021 -0.00249 32 TYR B CB 8339 C CG . TYR F 33 ? 0.23116 0.30082 0.19561 -0.01489 -0.02398 0.00885 32 TYR B CG 8340 C CD1 . TYR F 33 ? 0.23667 0.33004 0.19785 -0.05535 -0.01275 0.01885 32 TYR B CD1 8341 C CD2 . TYR F 33 ? 0.28776 0.31908 0.22635 -0.04293 -0.02196 -0.00023 32 TYR B CD2 8342 C CE1 . TYR F 33 ? 0.30351 0.34038 0.23442 -0.08080 0.00186 0.00788 32 TYR B CE1 8343 C CE2 . TYR F 33 ? 0.30313 0.32155 0.23276 -0.08958 -0.00367 -0.01418 32 TYR B CE2 8344 C CZ . TYR F 33 ? 0.32470 0.33713 0.27797 -0.08847 0.02552 0.00308 32 TYR B CZ 8345 O OH . TYR F 33 ? 0.37997 0.37742 0.33041 -0.09514 0.05964 0.00981 32 TYR B OH 8355 N N . ALA F 34 ? 0.17410 0.24501 0.14806 0.02502 -0.01290 0.00871 33 ALA B N 8356 C CA . ALA F 34 ? 0.20166 0.21400 0.17832 0.01000 -0.01986 -0.00856 33 ALA B CA 8357 C C . ALA F 34 ? 0.19852 0.21382 0.16739 0.00171 -0.02202 0.01700 33 ALA B C 8358 O O . ALA F 34 ? 0.19220 0.19844 0.17174 0.04250 -0.01918 0.00373 33 ALA B O 8359 C CB . ALA F 34 ? 0.21066 0.17265 0.17706 0.00716 0.00706 0.00673 33 ALA B CB 8365 N N . ILE F 35 ? 0.18115 0.21879 0.17528 0.01797 -0.01375 0.01018 34 ILE B N 8366 C CA . ILE F 35 ? 0.17251 0.21876 0.17235 0.00247 -0.01735 -0.01033 34 ILE B CA 8367 C C . ILE F 35 ? 0.19239 0.22453 0.17603 0.00995 -0.02357 0.00428 34 ILE B C 8368 O O . ILE F 35 ? 0.21722 0.21075 0.18768 -0.00444 -0.04883 0.02859 34 ILE B O 8369 C CB . ILE F 35 ? 0.19540 0.21254 0.19348 -0.00514 -0.00225 -0.03094 34 ILE B CB 8370 C CG1 . ILE F 35 ? 0.24047 0.26086 0.21983 -0.03540 -0.00149 -0.01590 34 ILE B CG1 8371 C CG2 . ILE F 35 ? 0.23768 0.21857 0.20630 0.01016 0.01091 -0.01871 34 ILE B CG2 8372 C CD1 . ILE F 35 ? 0.24445 0.31649 0.23924 -0.06290 -0.01988 -0.02276 34 ILE B CD1 8384 N N . SER F 36 ? 0.15729 0.25237 0.17153 0.02957 -0.02117 0.00495 35 SER B N 8385 C CA . SER F 36 ? 0.14949 0.25550 0.16102 0.00361 -0.02759 0.00210 35 SER B CA 8386 C C . SER F 36 ? 0.16236 0.17187 0.15923 0.00204 -0.00205 0.00607 35 SER B C 8387 O O . SER F 36 ? 0.17492 0.16284 0.18522 0.01769 -0.00682 0.01348 35 SER B O 8388 C CB . SER F 36 ? 0.16033 0.30512 0.19344 0.01365 0.01094 -0.02225 35 SER B CB 8389 O OG . SER F 36 ? 0.17445 0.29972 0.19869 0.02433 0.00780 -0.01922 35 SER B OG 8395 N N . TRP F 37 ? 0.17484 0.21130 0.16792 0.02075 -0.02689 0.00700 36 TRP B N 8396 C CA . TRP F 37 ? 0.18215 0.20454 0.16421 0.01576 -0.03576 0.01596 36 TRP B CA 8397 C C . TRP F 37 ? 0.16505 0.17791 0.16577 0.01127 -0.00964 -0.00288 36 TRP B C 8398 O O . TRP F 37 ? 0.20634 0.21023 0.19230 -0.00574 -0.02815 0.01733 36 TRP B O 8399 C CB . TRP F 37 ? 0.19133 0.22858 0.17075 0.00853 -0.00359 -0.00699 36 TRP B CB 8400 C CG . TRP F 37 ? 0.20495 0.24482 0.16955 0.01077 -0.03770 -0.00947 36 TRP B CG 8401 C CD1 . TRP F 37 ? 0.19435 0.26496 0.18315 -0.00641 -0.02842 -0.00809 36 TRP B CD1 8402 C CD2 . TRP F 37 ? 0.18444 0.23805 0.16298 0.01457 -0.00598 -0.00267 36 TRP B CD2 8403 N NE1 . TRP F 37 ? 0.19909 0.27766 0.19504 -0.00714 -0.03244 -0.00432 36 TRP B NE1 8404 C CE2 . TRP F 37 ? 0.18830 0.26201 0.18804 0.00069 -0.02240 -0.00669 36 TRP B CE2 8405 C CE3 . TRP F 37 ? 0.19829 0.23174 0.17475 0.02601 -0.00039 -0.00854 36 TRP B CE3 8406 C CZ2 . TRP F 37 ? 0.19327 0.26907 0.19216 0.01738 -0.00537 -0.01103 36 TRP B CZ2 8407 C CZ3 . TRP F 37 ? 0.20786 0.24028 0.19710 0.03386 -0.00092 0.00574 36 TRP B CZ3 8408 C CH2 . TRP F 37 ? 0.19352 0.25170 0.17607 0.02881 0.00797 -0.01122 36 TRP B CH2 8419 N N . VAL F 38 ? 0.17733 0.20654 0.16928 0.00737 -0.02635 0.00399 37 VAL B N 8420 C CA . VAL F 38 ? 0.18403 0.21569 0.17294 0.03960 -0.02925 0.00218 37 VAL B CA 8421 C C . VAL F 38 ? 0.19667 0.21920 0.19043 0.04511 -0.05079 -0.02041 37 VAL B C 8422 O O . VAL F 38 ? 0.20901 0.25780 0.25899 0.05119 -0.04174 -0.04818 37 VAL B O 8423 C CB . VAL F 38 ? 0.19076 0.24385 0.20270 0.01251 -0.02911 0.01820 37 VAL B CB 8424 C CG1 . VAL F 38 ? 0.18710 0.27260 0.21132 -0.00164 -0.05186 0.02488 37 VAL B CG1 8425 C CG2 . VAL F 38 ? 0.18581 0.25350 0.20421 0.00761 -0.01993 0.04032 37 VAL B CG2 8435 N N . ARG F 39 ? 0.17989 0.22686 0.17802 0.04384 0.00013 -0.01041 38 ARG B N 8436 C CA . ARG F 39 ? 0.18581 0.24656 0.16707 0.04436 -0.01850 -0.01906 38 ARG B CA 8437 C C . ARG F 39 ? 0.19231 0.28122 0.18090 0.03685 -0.00858 -0.01239 38 ARG B C 8438 O O . ARG F 39 ? 0.21878 0.28369 0.17742 0.05189 -0.02384 -0.00215 38 ARG B O 8439 C CB . ARG F 39 ? 0.21616 0.27900 0.18170 0.03078 -0.02586 0.00324 38 ARG B CB 8440 C CG . ARG F 39 ? 0.22391 0.29542 0.17558 -0.00049 -0.03920 0.02420 38 ARG B CG 8441 C CD . ARG F 39 ? 0.20433 0.33277 0.20971 -0.02642 -0.01058 0.02526 38 ARG B CD 8442 N NE . ARG F 39 ? 0.18901 0.35385 0.22180 -0.02886 -0.00293 0.01429 38 ARG B NE 8443 C CZ . ARG F 39 ? 0.20691 0.32627 0.23688 -0.00943 -0.00235 0.02318 38 ARG B CZ 8444 N NH1 . ARG F 39 ? 0.19330 0.30564 0.23737 0.00224 -0.00567 0.00361 38 ARG B NH1 8445 N NH2 . ARG F 39 ? 0.24790 0.36524 0.24949 0.00411 -0.00540 0.01712 38 ARG B NH2 8459 N N . GLN F 40 ? 0.18134 0.29155 0.16739 0.04380 -0.00902 -0.02235 39 GLN B N 8460 C CA . GLN F 40 ? 0.19968 0.30360 0.16408 0.05391 -0.00007 -0.01442 39 GLN B CA 8461 C C . GLN F 40 ? 0.19344 0.31159 0.16539 0.06500 -0.02057 -0.00602 39 GLN B C 8462 O O . GLN F 40 ? 0.20597 0.31585 0.17688 0.06186 -0.00627 0.01460 39 GLN B O 8463 C CB . GLN F 40 ? 0.23957 0.31661 0.19242 0.04325 -0.02949 0.00603 39 GLN B CB 8464 C CG . GLN F 40 ? 0.24662 0.33144 0.18014 0.03447 -0.01223 0.01180 39 GLN B CG 8465 C CD . GLN F 40 ? 0.27769 0.37213 0.19861 0.02997 0.01203 0.02251 39 GLN B CD 8466 O OE1 . GLN F 40 ? 0.31903 0.38130 0.23829 0.03237 0.03035 0.02388 39 GLN B OE1 8467 N NE2 . GLN F 40 ? 0.26334 0.37715 0.21130 0.02983 0.01398 0.02672 39 GLN B NE2 8476 N N . ALA F 41 ? 0.19659 0.32238 0.16050 0.06018 -0.02197 0.01091 40 ALA B N 8477 C CA . ALA F 41 ? 0.19349 0.38300 0.20226 0.05166 -0.01555 0.00316 40 ALA B CA 8478 C C . ALA F 41 ? 0.23812 0.43992 0.19850 0.09453 -0.03071 -0.02154 40 ALA B C 8479 O O . ALA F 41 ? 0.26002 0.44646 0.18789 0.11661 -0.01946 -0.02368 40 ALA B O 8480 C CB . ALA F 41 ? 0.16800 0.39341 0.19643 0.04079 -0.00948 0.00788 40 ALA B CB 8486 N N . PRO F 42 ? 0.26506 0.48878 0.19267 0.17770 -0.02668 -0.01797 41 PRO B N 8487 C CA . PRO F 42 ? 0.28893 0.49955 0.23755 0.17765 -0.03301 -0.01508 41 PRO B CA 8488 C C . PRO F 42 ? 0.30095 0.55601 0.25741 0.12886 -0.03335 -0.01712 41 PRO B C 8489 O O . PRO F 42 ? 0.22393 0.61069 0.26604 0.13362 -0.03676 -0.00371 41 PRO B O 8490 C CB . PRO F 42 ? 0.34095 0.49963 0.27611 0.15241 -0.00946 0.02271 41 PRO B CB 8491 C CG . PRO F 42 ? 0.33208 0.49044 0.24027 0.16823 0.00131 0.03989 41 PRO B CG 8492 C CD . PRO F 42 ? 0.31425 0.49894 0.21313 0.20261 0.00209 0.00095 41 PRO B CD 8500 N N . GLY F 43 ? 0.33251 0.52828 0.22780 0.12239 -0.03467 -0.02311 42 GLY B N 8501 C CA . GLY F 43 ? 0.32403 0.51795 0.24763 0.13143 -0.04891 -0.03469 42 GLY B CA 8502 C C . GLY F 43 ? 0.29096 0.52177 0.23207 0.13305 -0.02417 -0.01054 42 GLY B C 8503 O O . GLY F 43 ? 0.34900 0.56265 0.25501 0.15644 -0.02849 -0.01107 42 GLY B O 8507 N N A GLN F 44 ? 0.24483 0.50021 0.19379 0.09409 0.00323 0.03183 43 GLN B N 8508 N N B GLN F 44 ? 0.26285 0.51284 0.24544 0.11763 -0.02755 0.00518 43 GLN B N 8509 C CA A GLN F 44 ? 0.21281 0.50646 0.18981 0.07982 -0.00389 0.01214 43 GLN B CA 8510 C CA B GLN F 44 ? 0.25760 0.50929 0.26059 0.09673 -0.02871 0.01615 43 GLN B CA 8511 C C A GLN F 44 ? 0.23427 0.47151 0.18940 0.05312 0.00146 0.01295 43 GLN B C 8512 C C B GLN F 44 ? 0.23814 0.46156 0.21892 0.07407 -0.02173 0.01825 43 GLN B C 8513 O O A GLN F 44 ? 0.24369 0.46931 0.18847 0.07824 -0.01994 0.01371 43 GLN B O 8514 O O B GLN F 44 ? 0.23071 0.45272 0.21024 0.08649 -0.02270 0.01842 43 GLN B O 8515 C CB A GLN F 44 ? 0.20677 0.52859 0.20240 0.06905 0.01117 -0.01367 43 GLN B CB 8516 C CB B GLN F 44 ? 0.27236 0.53299 0.29052 0.09059 -0.02506 0.01182 43 GLN B CB 8517 C CG A GLN F 44 ? 0.23791 0.56463 0.23683 0.05435 -0.00274 -0.02058 43 GLN B CG 8518 C CG B GLN F 44 ? 0.28210 0.55379 0.31733 0.07626 -0.03050 0.00336 43 GLN B CG 8519 C CD A GLN F 44 ? 0.25209 0.57035 0.29114 0.02146 -0.02713 -0.04176 43 GLN B CD 8520 C CD B GLN F 44 ? 0.30748 0.57801 0.32923 0.07206 -0.03338 -0.00119 43 GLN B CD 8521 O OE1 A GLN F 44 ? 0.26016 0.57314 0.32721 0.01903 -0.02139 -0.06650 43 GLN B OE1 8522 O OE1 B GLN F 44 ? 0.32114 0.59876 0.33579 0.07447 -0.03407 -0.00194 43 GLN B OE1 8523 N NE2 A GLN F 44 ? 0.24981 0.56446 0.31391 -0.00293 -0.06595 -0.04374 43 GLN B NE2 8524 N NE2 B GLN F 44 ? 0.32117 0.58717 0.33761 0.06903 -0.04140 -0.00609 43 GLN B NE2 8541 N N . GLY F 45 ? 0.21541 0.42878 0.18878 0.04760 -0.03469 0.02619 44 GLY B N 8542 C CA . GLY F 45 ? 0.18396 0.39260 0.18107 0.03530 -0.03558 -0.00341 44 GLY B CA 8543 C C . GLY F 45 ? 0.18714 0.37696 0.18948 0.04787 -0.01523 -0.00153 44 GLY B C 8544 O O . GLY F 45 ? 0.20947 0.41915 0.19936 0.03794 0.00176 0.01372 44 GLY B O 8549 N N . LEU F 46 ? 0.17812 0.33570 0.17104 0.04964 -0.03756 0.00012 45 LEU B N 8550 C CA . LEU F 46 ? 0.17307 0.31055 0.16788 0.04874 -0.02769 0.02374 45 LEU B CA 8551 C C . LEU F 46 ? 0.18611 0.28266 0.16233 0.03506 -0.02997 0.01349 45 LEU B C 8552 O O . LEU F 46 ? 0.21295 0.29470 0.18553 0.03214 -0.03484 -0.01595 45 LEU B O 8553 C CB . LEU F 46 ? 0.18801 0.29905 0.18346 0.03736 -0.03644 0.02715 45 LEU B CB 8554 C CG . LEU F 46 ? 0.19608 0.29092 0.18182 0.04794 -0.03800 0.02317 45 LEU B CG 8555 C CD1 . LEU F 46 ? 0.22613 0.32975 0.22192 0.04219 -0.07826 0.01118 45 LEU B CD1 8556 C CD2 . LEU F 46 ? 0.22587 0.29189 0.24099 0.04358 0.01385 0.03315 45 LEU B CD2 8568 N N A GLU F 47 ? 0.17908 0.29779 0.15428 0.02174 -0.01344 0.03132 46 GLU B N 8569 N N B GLU F 47 ? 0.17761 0.29589 0.15287 0.02719 -0.02084 0.02257 46 GLU B N 8570 C CA A GLU F 47 ? 0.19372 0.31087 0.18102 0.00112 -0.03937 0.02550 46 GLU B CA 8571 C CA B GLU F 47 ? 0.18706 0.31460 0.18263 0.01115 -0.05155 0.02089 46 GLU B CA 8572 C C A GLU F 47 ? 0.19574 0.29645 0.18504 -0.01764 -0.04207 0.02500 46 GLU B C 8573 C C B GLU F 47 ? 0.19741 0.29475 0.16873 -0.00475 -0.04548 0.02150 46 GLU B C 8574 O O A GLU F 47 ? 0.19483 0.30302 0.23662 -0.03424 -0.03515 0.01272 46 GLU B O 8575 O O B GLU F 47 ? 0.20488 0.30288 0.20309 -0.00695 -0.04463 0.01133 46 GLU B O 8576 C CB A GLU F 47 ? 0.21391 0.35583 0.22775 0.00599 -0.04176 0.02716 46 GLU B CB 8577 C CB B GLU F 47 ? 0.21395 0.38172 0.25324 0.01109 -0.07901 0.02228 46 GLU B CB 8578 C CG A GLU F 47 ? 0.22493 0.40523 0.26598 0.02040 -0.03398 -0.00764 46 GLU B CG 8579 C CG B GLU F 47 ? 0.27551 0.47828 0.31116 0.01705 -0.09001 0.00880 46 GLU B CG 8580 C CD A GLU F 47 ? 0.24521 0.43356 0.29099 0.00155 -0.01123 -0.03320 46 GLU B CD 8581 C CD B GLU F 47 ? 0.33843 0.53306 0.34714 0.01299 -0.05454 0.00831 46 GLU B CD 8582 O OE1 A GLU F 47 ? 0.29222 0.44828 0.29800 -0.01781 -0.04917 -0.02312 46 GLU B OE1 8583 O OE1 B GLU F 47 ? 0.39746 0.57867 0.41775 -0.00444 -0.02659 0.02322 46 GLU B OE1 8584 O OE2 A GLU F 47 ? 0.24719 0.44166 0.34031 -0.01238 0.03453 -0.06463 46 GLU B OE2 8585 O OE2 B GLU F 47 ? 0.34575 0.55578 0.37770 0.02908 -0.02452 -0.00283 46 GLU B OE2 8598 N N . TRP F 48 ? 0.20429 0.28139 0.16382 -0.01685 -0.03446 0.01414 47 TRP B N 8599 C CA . TRP F 48 ? 0.18835 0.24347 0.17016 0.01840 -0.04616 0.00322 47 TRP B CA 8600 C C . TRP F 48 ? 0.18915 0.23415 0.19090 -0.02015 -0.02925 0.02721 47 TRP B C 8601 O O . TRP F 48 ? 0.24431 0.25838 0.21884 -0.01285 -0.03530 0.03371 47 TRP B O 8602 C CB . TRP F 48 ? 0.19477 0.25261 0.16975 0.03193 -0.03348 -0.00250 47 TRP B CB 8603 C CG . TRP F 48 ? 0.17688 0.21392 0.14954 0.02879 -0.02995 -0.01655 47 TRP B CG 8604 C CD1 . TRP F 48 ? 0.20870 0.25396 0.15449 0.00819 -0.02207 -0.00817 47 TRP B CD1 8605 C CD2 . TRP F 48 ? 0.17090 0.21203 0.15858 0.00849 0.00021 0.00976 47 TRP B CD2 8606 N NE1 . TRP F 48 ? 0.18726 0.23384 0.16264 -0.00651 -0.02597 -0.01634 47 TRP B NE1 8607 C CE2 . TRP F 48 ? 0.17134 0.20869 0.16394 -0.01066 0.00126 -0.00090 47 TRP B CE2 8608 C CE3 . TRP F 48 ? 0.20116 0.26857 0.17336 0.01374 -0.02135 0.01223 47 TRP B CE3 8609 C CZ2 . TRP F 48 ? 0.22108 0.22320 0.17257 0.01233 -0.03057 -0.02213 47 TRP B CZ2 8610 C CZ3 . TRP F 48 ? 0.21541 0.26082 0.15568 0.00823 -0.02610 0.00319 47 TRP B CZ3 8611 C CH2 . TRP F 48 ? 0.22436 0.25343 0.17286 0.02412 -0.03270 -0.02619 47 TRP B CH2 8623 N N . MET F 49 ? 0.17576 0.25482 0.16950 0.00860 -0.01313 0.01014 48 MET B N 8624 C CA . MET F 49 ? 0.16720 0.26067 0.18529 0.03807 0.00853 0.02215 48 MET B CA 8625 C C . MET F 49 ? 0.16260 0.27488 0.17493 0.01401 -0.00166 -0.00000 48 MET B C 8626 O O . MET F 49 ? 0.17504 0.27881 0.20148 0.00451 -0.01045 0.02705 48 MET B O 8627 C CB . MET F 49 ? 0.19654 0.24231 0.18558 0.03694 -0.00126 0.01157 48 MET B CB 8628 C CG . MET F 49 ? 0.24812 0.24856 0.20632 0.02385 0.00591 0.02050 48 MET B CG 8629 S SD . MET F 49 ? 0.23605 0.27938 0.26334 0.02100 0.01324 0.00029 48 MET B SD 8630 C CE . MET F 49 ? 0.27413 0.28515 0.27580 0.04493 0.07868 0.01036 48 MET B CE 8640 N N . GLY F 50 ? 0.14266 0.25701 0.17173 0.01643 -0.02863 -0.00674 49 GLY B N 8641 C CA . GLY F 50 ? 0.15803 0.22784 0.18275 -0.00417 -0.01890 0.00673 49 GLY B CA 8642 C C . GLY F 50 ? 0.15284 0.16955 0.16062 -0.00318 -0.00860 0.02075 49 GLY B C 8643 O O . GLY F 50 ? 0.18249 0.16751 0.18699 -0.00044 -0.00613 0.02150 49 GLY B O 8647 N N . GLY F 51 ? 0.15673 0.21434 0.17408 -0.00120 -0.00717 0.01050 50 GLY B N 8648 C CA . GLY F 51 ? 0.18678 0.20830 0.17697 -0.00708 -0.03143 0.02022 50 GLY B CA 8649 C C . GLY F 51 ? 0.20564 0.17563 0.18747 0.00318 -0.02653 0.01450 50 GLY B C 8650 O O . GLY F 51 ? 0.21307 0.18186 0.20192 0.01313 -0.03326 0.03676 50 GLY B O 8654 N N . ILE F 52 ? 0.16982 0.21098 0.20894 -0.01711 -0.02925 0.02287 51 ILE B N 8655 C CA . ILE F 52 ? 0.17444 0.22504 0.19611 -0.01385 -0.03642 0.01320 51 ILE B CA 8656 C C . ILE F 52 ? 0.17498 0.20191 0.16900 -0.00513 -0.01672 0.00937 51 ILE B C 8657 O O . ILE F 52 ? 0.19928 0.21931 0.18071 -0.00191 -0.01291 0.02096 51 ILE B O 8658 C CB . ILE F 52 ? 0.20532 0.28898 0.18762 0.01173 -0.03063 0.02060 51 ILE B CB 8659 C CG1 . ILE F 52 ? 0.22059 0.34038 0.22466 -0.00013 -0.01983 0.00563 51 ILE B CG1 8660 C CG2 . ILE F 52 ? 0.20573 0.26896 0.17605 0.01440 -0.01769 -0.01607 51 ILE B CG2 8661 C CD1 . ILE F 52 ? 0.26220 0.37047 0.25266 -0.03664 -0.02481 0.02046 51 ILE B CD1 8673 N N . ILE F 53 ? 0.19531 0.23899 0.19605 0.02907 -0.01894 0.01486 52 ILE B N 8674 C CA . ILE F 53 ? 0.21216 0.22523 0.17368 0.01791 -0.02675 -0.00829 52 ILE B CA 8675 C C . ILE F 53 ? 0.19903 0.21717 0.18301 0.00641 -0.01075 -0.01029 52 ILE B C 8676 O O . ILE F 53 ? 0.18789 0.22134 0.17935 -0.01528 -0.01605 -0.02009 52 ILE B O 8677 C CB . ILE F 53 ? 0.22957 0.23217 0.17098 0.00981 -0.04836 0.00134 52 ILE B CB 8678 C CG1 . ILE F 53 ? 0.28697 0.27408 0.19694 -0.01049 -0.04791 -0.02379 52 ILE B CG1 8679 C CG2 . ILE F 53 ? 0.23513 0.25124 0.19562 0.01729 -0.03233 -0.00261 52 ILE B CG2 8680 C CD1 . ILE F 53 ? 0.31324 0.27188 0.18916 -0.03205 -0.04962 -0.01029 52 ILE B CD1 8692 N N . PRO F 54 ? 0.19989 0.19947 0.18263 -0.00578 -0.01349 -0.01453 53 PRO B N 8693 C CA . PRO F 54 ? 0.19848 0.20158 0.17504 0.01492 -0.01117 -0.04706 53 PRO B CA 8694 C C . PRO F 54 ? 0.19462 0.24345 0.17725 0.01813 -0.02116 -0.03030 53 PRO B C 8695 O O . PRO F 54 ? 0.20572 0.27047 0.17785 0.00830 -0.02726 -0.01801 53 PRO B O 8696 C CB . PRO F 54 ? 0.23245 0.22615 0.22088 0.01433 -0.03789 -0.05318 53 PRO B CB 8697 C CG . PRO F 54 ? 0.26755 0.26914 0.24539 -0.00600 -0.02993 -0.03919 53 PRO B CG 8698 C CD . PRO F 54 ? 0.22667 0.20773 0.21943 -0.01649 -0.00208 -0.03000 53 PRO B CD 8706 N N . ILE F 55 ? 0.17324 0.26575 0.16905 0.00866 -0.01407 -0.02310 54 ILE B N 8707 C CA . ILE F 55 ? 0.14941 0.30282 0.17518 0.00063 -0.00824 -0.01908 54 ILE B CA 8708 C C . ILE F 55 ? 0.15870 0.28043 0.17877 0.03881 -0.01517 -0.00859 54 ILE B C 8709 O O . ILE F 55 ? 0.16732 0.27958 0.18940 0.00597 -0.04336 -0.02672 54 ILE B O 8710 C CB . ILE F 55 ? 0.15286 0.33368 0.17538 0.00827 -0.02255 0.01023 54 ILE B CB 8711 C CG1 . ILE F 55 ? 0.17879 0.34131 0.21486 -0.00999 -0.01905 -0.00051 54 ILE B CG1 8712 C CG2 . ILE F 55 ? 0.18549 0.36707 0.16440 0.02307 -0.00412 0.02333 54 ILE B CG2 8713 C CD1 . ILE F 55 ? 0.21072 0.34984 0.23244 -0.01517 -0.01957 0.00211 54 ILE B CD1 8725 N N . PHE F 56 ? 0.17381 0.27433 0.16467 0.00996 -0.02938 -0.00001 55 PHE B N 8726 C CA . PHE F 56 ? 0.16288 0.28480 0.16824 0.00366 -0.01774 0.00986 55 PHE B CA 8727 C C . PHE F 56 ? 0.19443 0.26680 0.19176 -0.00904 -0.01059 0.00884 55 PHE B C 8728 O O . PHE F 56 ? 0.24059 0.26218 0.19916 0.00695 -0.02291 0.00414 55 PHE B O 8729 C CB . PHE F 56 ? 0.16671 0.27970 0.19389 -0.00489 -0.02933 -0.01109 55 PHE B CB 8730 C CG . PHE F 56 ? 0.17799 0.32937 0.19465 -0.00870 -0.02507 -0.02284 55 PHE B CG 8731 C CD1 . PHE F 56 ? 0.18965 0.37742 0.18577 -0.01186 -0.02095 -0.03565 55 PHE B CD1 8732 C CD2 . PHE F 56 ? 0.17354 0.31974 0.19583 0.01442 0.00137 -0.01766 55 PHE B CD2 8733 C CE1 . PHE F 56 ? 0.19613 0.39713 0.18336 0.00644 -0.02066 -0.03065 55 PHE B CE1 8734 C CE2 . PHE F 56 ? 0.18592 0.36715 0.18263 0.00856 -0.00199 -0.01272 55 PHE B CE2 8735 C CZ . PHE F 56 ? 0.20234 0.39288 0.19069 0.00297 -0.00689 -0.02371 55 PHE B CZ 8745 N N . GLY F 57 ? 0.18433 0.29782 0.19308 -0.02115 -0.01078 0.00764 56 GLY B N 8746 C CA . GLY F 57 ? 0.20463 0.30560 0.22482 -0.03317 -0.02609 -0.02115 56 GLY B CA 8747 C C . GLY F 57 ? 0.20381 0.30309 0.23217 -0.03479 -0.01123 -0.00605 56 GLY B C 8748 O O . GLY F 57 ? 0.24645 0.35056 0.25346 -0.03387 0.02489 0.00709 56 GLY B O 8752 N N . THR F 58 ? 0.21797 0.26405 0.22200 -0.00596 -0.05426 -0.00646 57 THR B N 8753 C CA . THR F 58 ? 0.23238 0.26856 0.27261 -0.00707 -0.06268 0.01382 57 THR B CA 8754 C C . THR F 58 ? 0.20524 0.27885 0.26957 -0.01045 -0.05626 0.02946 57 THR B C 8755 O O . THR F 58 ? 0.21336 0.30958 0.29934 -0.00578 -0.02013 0.03744 57 THR B O 8756 C CB . THR F 58 ? 0.23988 0.29268 0.31037 0.00545 -0.07416 -0.02708 57 THR B CB 8757 O OG1 . THR F 58 ? 0.27024 0.32703 0.29528 0.02328 -0.04145 -0.04717 57 THR B OG1 8758 C CG2 . THR F 58 ? 0.26413 0.28755 0.36119 0.00231 -0.07381 -0.03547 57 THR B CG2 8766 N N . ALA F 59 ? 0.19448 0.26945 0.21670 -0.03028 -0.02684 0.03488 58 ALA B N 8767 C CA . ALA F 59 ? 0.18918 0.23213 0.21046 -0.00609 -0.02590 0.01232 58 ALA B CA 8768 C C . ALA F 59 ? 0.20261 0.17735 0.22821 0.01631 -0.02586 0.02997 58 ALA B C 8769 O O . ALA F 59 ? 0.25402 0.20523 0.25043 0.01821 -0.05678 0.02369 58 ALA B O 8770 C CB . ALA F 59 ? 0.24676 0.26539 0.21537 -0.02247 -0.01547 -0.00358 58 ALA B CB 8776 N N . ASN F 60 ? 0.18505 0.19848 0.21195 0.01633 -0.02207 0.01386 59 ASN B N 8777 C CA . ASN F 60 ? 0.21249 0.26434 0.22135 0.00913 -0.02357 0.00285 59 ASN B CA 8778 C C . ASN F 60 ? 0.17769 0.20396 0.21244 0.03956 -0.02967 -0.00377 59 ASN B C 8779 O O . ASN F 60 ? 0.22120 0.20871 0.25314 0.05410 -0.03646 0.01929 59 ASN B O 8780 C CB . ASN F 60 ? 0.24881 0.31381 0.23122 0.04964 -0.00475 0.00211 59 ASN B CB 8781 C CG . ASN F 60 ? 0.26615 0.34871 0.23402 0.08763 -0.01086 -0.02032 59 ASN B CG 8782 O OD1 . ASN F 60 ? 0.28171 0.42375 0.23156 0.07944 -0.02451 0.00765 59 ASN B OD1 8783 N ND2 . ASN F 60 ? 0.31648 0.36749 0.28941 0.05050 0.00163 -0.03220 59 ASN B ND2 8790 N N . TYR F 61 ? 0.16214 0.25073 0.22666 0.01002 -0.01864 -0.00274 60 TYR B N 8791 C CA . TYR F 61 ? 0.21272 0.23388 0.22363 -0.01091 -0.02027 0.00031 60 TYR B CA 8792 C C . TYR F 61 ? 0.20957 0.21450 0.21256 -0.00149 -0.03222 -0.02803 60 TYR B C 8793 O O . TYR F 61 ? 0.25858 0.25534 0.23657 0.01606 -0.02930 -0.04244 60 TYR B O 8794 C CB . TYR F 61 ? 0.22722 0.22941 0.19291 -0.02681 -0.00512 0.03225 60 TYR B CB 8795 C CG . TYR F 61 ? 0.24513 0.23207 0.18106 0.00063 -0.01254 0.01231 60 TYR B CG 8796 C CD1 . TYR F 61 ? 0.26660 0.24699 0.18403 0.03497 -0.02561 0.01334 60 TYR B CD1 8797 C CD2 . TYR F 61 ? 0.24292 0.24327 0.19055 -0.01229 -0.00570 0.03192 60 TYR B CD2 8798 C CE1 . TYR F 61 ? 0.26034 0.26505 0.17776 0.04779 -0.03357 0.01783 60 TYR B CE1 8799 C CE2 . TYR F 61 ? 0.21966 0.22679 0.19989 -0.00096 -0.01148 0.03673 60 TYR B CE2 8800 C CZ . TYR F 61 ? 0.22893 0.22217 0.18674 0.02693 -0.02446 0.01195 60 TYR B CZ 8801 O OH . TYR F 61 ? 0.24330 0.25009 0.20410 0.01241 -0.03555 0.00179 60 TYR B OH 8811 N N . ALA F 62 ? 0.19595 0.24355 0.21172 -0.00662 -0.02960 -0.00350 61 ALA B N 8812 C CA . ALA F 62 ? 0.24730 0.24154 0.21048 -0.02140 -0.01190 0.00361 61 ALA B CA 8813 C C . ALA F 62 ? 0.25625 0.25024 0.21534 -0.03413 -0.01735 0.00713 61 ALA B C 8814 O O . ALA F 62 ? 0.26904 0.27059 0.20078 -0.04375 -0.00249 0.02459 61 ALA B O 8815 C CB . ALA F 62 ? 0.25486 0.24038 0.21492 -0.05221 -0.00553 -0.00339 61 ALA B CB 8821 N N . GLN F 63 ? 0.25594 0.25255 0.24172 -0.06829 -0.00207 -0.00877 62 GLN B N 8822 C CA . GLN F 63 ? 0.29592 0.30304 0.30798 -0.10487 0.05828 -0.03802 62 GLN B CA 8823 C C . GLN F 63 ? 0.26868 0.32717 0.28243 -0.06060 0.08026 -0.03827 62 GLN B C 8824 O O . GLN F 63 ? 0.31401 0.31844 0.30739 -0.04640 0.08725 -0.01802 62 GLN B O 8825 C CB . GLN F 63 ? 0.35993 0.37947 0.39893 -0.11323 0.10041 -0.03757 62 GLN B CB 8826 C CG . GLN F 63 ? 0.44512 0.45728 0.44794 -0.12323 0.09136 -0.02602 62 GLN B CG 8827 C CD . GLN F 63 ? 0.53262 0.51991 0.50411 -0.06896 0.04553 -0.00644 62 GLN B CD 8828 O OE1 . GLN F 63 ? 0.54712 0.52124 0.50753 -0.03134 0.00806 -0.01883 62 GLN B OE1 8829 N NE2 . GLN F 63 ? 0.55497 0.53438 0.50919 -0.06914 0.05113 0.01093 62 GLN B NE2 8838 N N . LYS F 64 ? 0.25851 0.36254 0.28969 -0.03438 0.02312 -0.03518 63 LYS B N 8839 C CA . LYS F 64 ? 0.24458 0.39961 0.28587 -0.00152 0.01142 -0.06522 63 LYS B CA 8840 C C . LYS F 64 ? 0.24299 0.41073 0.28057 0.00063 0.02476 -0.06046 63 LYS B C 8841 O O . LYS F 64 ? 0.24482 0.45199 0.29481 -0.01458 0.02364 -0.05993 63 LYS B O 8842 C CB . LYS F 64 ? 0.23063 0.42222 0.30347 0.04871 -0.00071 -0.05116 63 LYS B CB 8843 C CG . LYS F 64 ? 0.29269 0.46222 0.34469 0.04228 -0.00600 -0.02409 63 LYS B CG 8844 C CD . LYS F 64 ? 0.28330 0.49464 0.34825 -0.00324 -0.01642 -0.01495 63 LYS B CD 8845 C CE . LYS F 64 ? 0.27911 0.50658 0.38417 -0.03158 -0.02888 -0.01606 63 LYS B CE 8846 N NZ . LYS F 64 ? 0.28599 0.50361 0.41046 -0.06017 -0.00617 -0.00905 63 LYS B NZ 8861 N N . PHE F 65 ? 0.21561 0.34554 0.25074 -0.00849 -0.01251 -0.03949 64 PHE B N 8862 C CA . PHE F 65 ? 0.23774 0.32578 0.22616 -0.02889 0.00561 -0.01895 64 PHE B CA 8863 C C . PHE F 65 ? 0.25388 0.31292 0.21537 -0.00147 0.00668 -0.02116 64 PHE B C 8864 O O . PHE F 65 ? 0.28176 0.33693 0.24095 -0.01404 0.01342 -0.00611 64 PHE B O 8865 C CB . PHE F 65 ? 0.23852 0.29891 0.26041 -0.03280 -0.00744 -0.01985 64 PHE B CB 8866 C CG . PHE F 65 ? 0.22398 0.30978 0.24559 -0.01473 0.00247 -0.02652 64 PHE B CG 8867 C CD1 . PHE F 65 ? 0.21769 0.34371 0.23137 -0.00592 0.00504 -0.01478 64 PHE B CD1 8868 C CD2 . PHE F 65 ? 0.24443 0.31399 0.24000 -0.02283 0.00289 -0.00491 64 PHE B CD2 8869 C CE1 . PHE F 65 ? 0.22431 0.34336 0.24471 0.00920 0.00523 0.02226 64 PHE B CE1 8870 C CE2 . PHE F 65 ? 0.23587 0.32384 0.24789 -0.03607 0.02917 0.03015 64 PHE B CE2 8871 C CZ . PHE F 65 ? 0.20686 0.33553 0.25433 -0.00139 0.00878 0.02807 64 PHE B CZ 8881 N N . GLN F 66 ? 0.27425 0.32370 0.25274 0.03545 0.00321 -0.00449 65 GLN B N 8882 C CA . GLN F 66 ? 0.28808 0.35292 0.27322 0.03657 -0.00923 0.02259 65 GLN B CA 8883 C C . GLN F 66 ? 0.27073 0.36986 0.26754 0.01010 -0.00026 0.02778 65 GLN B C 8884 O O . GLN F 66 ? 0.29086 0.40376 0.29937 -0.03015 0.01337 0.01009 65 GLN B O 8885 C CB . GLN F 66 ? 0.35166 0.41032 0.32312 0.05164 -0.05677 0.03190 65 GLN B CB 8886 C CG . GLN F 66 ? 0.40474 0.45035 0.38282 0.04096 -0.05358 0.00971 65 GLN B CG 8887 C CD . GLN F 66 ? 0.49375 0.51396 0.47222 0.02471 -0.04705 0.01950 65 GLN B CD 8888 O OE1 . GLN F 66 ? 0.49205 0.50655 0.44590 0.06561 -0.06469 -0.00221 65 GLN B OE1 8889 N NE2 . GLN F 66 ? 0.46852 0.50454 0.46375 -0.03701 -0.02081 0.07288 65 GLN B NE2 8898 N N . GLY F 67 ? 0.28235 0.35991 0.25513 0.02313 0.02938 0.03521 66 GLY B N 8899 C CA . GLY F 67 ? 0.31777 0.32805 0.24271 0.02984 0.03908 0.04116 66 GLY B CA 8900 C C . GLY F 67 ? 0.31263 0.33175 0.22340 0.03386 0.04635 0.02755 66 GLY B C 8901 O O . GLY F 67 ? 0.32844 0.35954 0.22574 0.04592 0.02741 0.02852 66 GLY B O 8905 N N . ARG F 68 ? 0.29301 0.30161 0.20358 -0.02844 0.03619 0.02632 67 ARG B N 8906 C CA . ARG F 68 ? 0.24690 0.32198 0.20021 -0.03045 0.00678 0.01823 67 ARG B CA 8907 C C . ARG F 68 ? 0.22997 0.29163 0.18887 -0.03947 0.00680 0.01349 67 ARG B C 8908 O O . ARG F 68 ? 0.24598 0.29572 0.22343 -0.02894 -0.00559 0.01997 67 ARG B O 8909 C CB . ARG F 68 ? 0.26629 0.36710 0.22043 0.00636 -0.01712 0.01411 67 ARG B CB 8910 C CG . ARG F 68 ? 0.24069 0.38625 0.22157 0.05060 -0.02110 -0.00123 67 ARG B CG 8911 C CD . ARG F 68 ? 0.22992 0.36034 0.20858 0.05509 -0.02511 0.02758 67 ARG B CD 8912 N NE . ARG F 68 ? 0.26182 0.34817 0.21363 -0.00806 -0.00605 0.05672 67 ARG B NE 8913 C CZ . ARG F 68 ? 0.26324 0.35504 0.19737 -0.02060 -0.00903 0.06355 67 ARG B CZ 8914 N NH1 . ARG F 68 ? 0.31813 0.35646 0.19286 -0.00700 -0.01474 0.04885 67 ARG B NH1 8915 N NH2 . ARG F 68 ? 0.23940 0.35566 0.20763 -0.00383 -0.00248 0.05011 67 ARG B NH2 8929 N N . VAL F 69 ? 0.21719 0.29337 0.19841 -0.01931 0.00149 0.01328 68 VAL B N 8930 C CA . VAL F 69 ? 0.21683 0.27546 0.17546 0.00333 -0.00909 0.00678 68 VAL B CA 8931 C C . VAL F 69 ? 0.21043 0.27793 0.16582 0.00032 -0.00734 0.02246 68 VAL B C 8932 O O . VAL F 69 ? 0.22833 0.27065 0.21545 -0.01238 -0.01574 0.01987 68 VAL B O 8933 C CB . VAL F 69 ? 0.24194 0.28164 0.18047 0.00335 -0.00837 0.00438 68 VAL B CB 8934 C CG1 . VAL F 69 ? 0.28013 0.29397 0.20130 0.02172 -0.01788 0.01374 68 VAL B CG1 8935 C CG2 . VAL F 69 ? 0.24094 0.27775 0.18906 -0.01701 -0.02033 0.02685 68 VAL B CG2 8945 N N . THR F 70 ? 0.22280 0.31209 0.15958 0.00133 -0.01384 0.02428 69 THR B N 8946 C CA . THR F 70 ? 0.23437 0.30173 0.16254 0.00677 -0.02576 0.03095 69 THR B CA 8947 C C . THR F 70 ? 0.20326 0.25016 0.17761 0.03214 -0.02874 0.00811 69 THR B C 8948 O O . THR F 70 ? 0.20736 0.25253 0.19311 0.03945 -0.01513 0.01704 69 THR B O 8949 C CB . THR F 70 ? 0.26918 0.30005 0.17401 0.00757 -0.02695 0.03484 69 THR B CB 8950 O OG1 . THR F 70 ? 0.29449 0.28442 0.18987 0.01296 -0.01995 0.03131 69 THR B OG1 8951 C CG2 . THR F 70 ? 0.26686 0.33477 0.18063 0.02233 -0.04482 0.01091 69 THR B CG2 8959 N N . ILE F 71 ? 0.19669 0.24480 0.18183 0.03006 -0.03167 -0.00462 70 ILE B N 8960 C CA . ILE F 71 ? 0.20231 0.26574 0.18736 0.00955 -0.03779 -0.01327 70 ILE B CA 8961 C C . ILE F 71 ? 0.21173 0.28216 0.22122 0.03031 -0.04010 0.00062 70 ILE B C 8962 O O . ILE F 71 ? 0.21331 0.29364 0.23240 0.03064 -0.05799 -0.01383 70 ILE B O 8963 C CB . ILE F 71 ? 0.18528 0.28697 0.18003 0.02122 -0.00618 0.00103 70 ILE B CB 8964 C CG1 . ILE F 71 ? 0.22758 0.30382 0.17159 0.03144 0.00139 -0.01984 70 ILE B CG1 8965 C CG2 . ILE F 71 ? 0.20320 0.29184 0.20576 0.01136 -0.01359 0.00764 70 ILE B CG2 8966 C CD1 . ILE F 71 ? 0.27384 0.31374 0.18364 0.00635 0.00917 -0.01679 70 ILE B CD1 8978 N N . THR F 72 ? 0.22504 0.28937 0.25881 0.01475 -0.04246 0.01634 71 THR B N 8979 C CA . THR F 72 ? 0.24910 0.28344 0.30295 0.01289 -0.05958 -0.02981 71 THR B CA 8980 C C . THR F 72 ? 0.21268 0.23845 0.30680 0.06612 -0.08855 -0.04120 71 THR B C 8981 O O . THR F 72 ? 0.20297 0.23083 0.28391 0.06945 -0.06384 -0.04847 71 THR B O 8982 C CB . THR F 72 ? 0.26718 0.31570 0.29243 0.02402 -0.06421 -0.02897 71 THR B CB 8983 O OG1 . THR F 72 ? 0.27159 0.30562 0.25788 0.03286 -0.05141 -0.01936 71 THR B OG1 8984 C CG2 . THR F 72 ? 0.27543 0.33935 0.28405 0.04048 -0.07054 -0.02005 71 THR B CG2 8992 N N . ALA F 73 ? 0.22751 0.27510 0.32253 0.02468 -0.09216 -0.02295 72 ALA B N 8993 C CA . ALA F 73 ? 0.22791 0.29126 0.32249 -0.01785 -0.09326 -0.02803 72 ALA B CA 8994 C C . ALA F 73 ? 0.25867 0.29166 0.32147 -0.00062 -0.09732 -0.02147 72 ALA B C 8995 O O . ALA F 73 ? 0.30465 0.34198 0.33989 0.01200 -0.10033 -0.03780 72 ALA B O 8996 C CB . ALA F 73 ? 0.21124 0.34023 0.35563 -0.00254 -0.07483 -0.00985 72 ALA B CB 9002 N N . ASP F 74 ? 0.23819 0.26189 0.28599 0.00274 -0.05551 -0.01505 73 ASP B N 9003 C CA . ASP F 74 ? 0.23491 0.28956 0.26012 -0.00446 -0.05219 0.01163 73 ASP B CA 9004 C C . ASP F 74 ? 0.21241 0.25914 0.22624 0.00465 -0.06686 -0.00052 73 ASP B C 9005 O O . ASP F 74 ? 0.24484 0.27240 0.21274 0.01257 -0.03877 -0.00438 73 ASP B O 9006 C CB . ASP F 74 ? 0.28108 0.35488 0.24501 -0.01759 -0.02186 -0.00131 73 ASP B CB 9007 C CG . ASP F 74 ? 0.33788 0.41309 0.26234 -0.02387 0.00354 -0.02053 73 ASP B CG 9008 O OD1 . ASP F 74 ? 0.36503 0.43418 0.28693 -0.01745 -0.03096 -0.03165 73 ASP B OD1 9009 O OD2 . ASP F 74 ? 0.40240 0.44750 0.27248 -0.02795 0.03152 -0.02325 73 ASP B OD2 9014 N N . GLU F 75 ? 0.22529 0.26650 0.22665 -0.01779 -0.06194 -0.02070 74 GLU B N 9015 C CA . GLU F 75 ? 0.22400 0.30889 0.22079 -0.02635 -0.06056 -0.01874 74 GLU B CA 9016 C C . GLU F 75 ? 0.22201 0.34692 0.21291 0.00374 -0.04902 -0.01574 74 GLU B C 9017 O O . GLU F 75 ? 0.25615 0.35723 0.21695 0.01104 -0.04846 -0.02342 74 GLU B O 9018 C CB . GLU F 75 ? 0.25125 0.31137 0.21895 -0.00669 -0.04663 -0.00585 74 GLU B CB 9019 C CG . GLU F 75 ? 0.25587 0.33537 0.21675 -0.00863 -0.06454 0.00116 74 GLU B CG 9020 C CD . GLU F 75 ? 0.27531 0.32920 0.23127 -0.00255 -0.02777 0.00090 74 GLU B CD 9021 O OE1 . GLU F 75 ? 0.25538 0.31989 0.21709 0.00759 -0.05140 -0.00470 74 GLU B OE1 9022 O OE2 . GLU F 75 ? 0.29931 0.37465 0.25247 -0.02482 -0.00978 0.00900 74 GLU B OE2 9029 N N . SER F 76 ? 0.23335 0.36818 0.21257 -0.00087 -0.08030 -0.00621 75 SER B N 9030 C CA . SER F 76 ? 0.26631 0.38505 0.22328 0.00331 -0.08362 -0.02399 75 SER B CA 9031 C C . SER F 76 ? 0.24541 0.36220 0.22341 -0.02564 -0.05257 -0.03446 75 SER B C 9032 O O . SER F 76 ? 0.27081 0.38661 0.25947 -0.02517 -0.05808 -0.03360 75 SER B O 9033 C CB . SER F 76 ? 0.32806 0.40360 0.23748 0.05475 -0.11843 -0.02804 75 SER B CB 9034 O OG . SER F 76 ? 0.42031 0.43795 0.26585 0.05503 -0.12509 -0.02070 75 SER B OG 9040 N N . THR F 77 ? 0.23428 0.35676 0.22061 -0.01858 -0.03256 -0.06139 76 THR B N 9041 C CA . THR F 77 ? 0.24506 0.33155 0.22525 -0.00979 -0.03485 -0.05784 76 THR B CA 9042 C C . THR F 77 ? 0.22994 0.28696 0.26209 0.00875 -0.04122 -0.02163 76 THR B C 9043 O O . THR F 77 ? 0.26095 0.25928 0.30383 -0.01104 -0.04775 -0.02015 76 THR B O 9044 C CB . THR F 77 ? 0.27934 0.35531 0.21495 -0.01191 -0.00880 -0.09002 76 THR B CB 9045 O OG1 . THR F 77 ? 0.28560 0.34888 0.23455 -0.02234 -0.02649 -0.07773 76 THR B OG1 9046 C CG2 . THR F 77 ? 0.27941 0.38553 0.17592 -0.01901 0.00506 -0.08644 76 THR B CG2 9054 N N A SER F 78 ? 0.22847 0.28399 0.24989 -0.00976 -0.03900 -0.02920 77 SER B N 9055 N N B SER F 78 ? 0.22079 0.31090 0.25939 -0.00931 -0.04463 -0.02612 77 SER B N 9056 C CA A SER F 78 ? 0.23159 0.29189 0.24625 -0.01320 -0.03739 -0.02678 77 SER B CA 9057 C CA B SER F 78 ? 0.21724 0.35054 0.27501 -0.00965 -0.05455 -0.00507 77 SER B CA 9058 C C A SER F 78 ? 0.19856 0.27480 0.22857 -0.00186 -0.02776 -0.01340 77 SER B C 9059 C C B SER F 78 ? 0.19132 0.32393 0.23907 0.01428 -0.03837 0.00661 77 SER B C 9060 O O A SER F 78 ? 0.20012 0.26311 0.21521 0.00169 -0.03099 -0.01394 77 SER B O 9061 O O B SER F 78 ? 0.20430 0.33148 0.24349 0.04003 -0.03136 0.01211 77 SER B O 9062 C CB A SER F 78 ? 0.27739 0.31318 0.26325 -0.01530 -0.03175 -0.04717 77 SER B CB 9063 C CB B SER F 78 ? 0.35012 0.43063 0.35900 -0.02840 -0.03578 -0.01057 77 SER B CB 9064 O OG A SER F 78 ? 0.30021 0.31425 0.29757 0.00077 -0.01110 -0.04745 77 SER B OG 9065 O OG B SER F 78 ? 0.48574 0.49382 0.47535 -0.04427 0.00858 0.02114 77 SER B OG 9076 N N . THR F 79 ? 0.18322 0.26752 0.21993 0.00107 -0.00795 0.00901 78 THR B N 9077 C CA . THR F 79 ? 0.17955 0.24521 0.23252 -0.00824 0.01341 -0.01053 78 THR B CA 9078 C C . THR F 79 ? 0.17861 0.24909 0.21989 -0.00424 -0.02052 0.00471 78 THR B C 9079 O O . THR F 79 ? 0.22387 0.23639 0.20114 0.01621 -0.00539 -0.00534 78 THR B O 9080 C CB . THR F 79 ? 0.18636 0.22385 0.26908 -0.02218 -0.00779 -0.00883 78 THR B CB 9081 O OG1 . THR F 79 ? 0.24138 0.24135 0.30742 -0.04148 -0.01877 -0.00516 78 THR B OG1 9082 C CG2 . THR F 79 ? 0.19914 0.24507 0.28914 -0.00538 -0.03211 -0.04726 78 THR B CG2 9091 N N . ALA F 80 ? 0.18659 0.25749 0.19372 0.01416 -0.04153 -0.02103 79 ALA B N 9092 C CA . ALA F 80 ? 0.18697 0.24449 0.21193 0.00436 -0.01029 -0.04211 79 ALA B CA 9093 C C . ALA F 80 ? 0.17295 0.23117 0.18282 0.03197 -0.00608 -0.03221 79 ALA B C 9094 O O . ALA F 80 ? 0.18092 0.23264 0.21165 0.02366 -0.00712 -0.00081 79 ALA B O 9095 C CB . ALA F 80 ? 0.20067 0.25136 0.22616 -0.03719 -0.01332 -0.02623 79 ALA B CB 9101 N N . TYR F 81 ? 0.16605 0.26463 0.17544 0.00859 -0.01051 -0.00337 80 TYR B N 9102 C CA . TYR F 81 ? 0.17788 0.23631 0.16932 -0.01144 -0.00587 0.01978 80 TYR B CA 9103 C C . TYR F 81 ? 0.18194 0.23554 0.18349 0.02696 0.00395 -0.00947 80 TYR B C 9104 O O . TYR F 81 ? 0.20619 0.25346 0.19675 0.01951 -0.00748 -0.01518 80 TYR B O 9105 C CB . TYR F 81 ? 0.22534 0.25495 0.20051 -0.02230 0.00539 -0.00436 80 TYR B CB 9106 C CG . TYR F 81 ? 0.22403 0.25471 0.19143 -0.01154 -0.03231 -0.01909 80 TYR B CG 9107 C CD1 . TYR F 81 ? 0.26324 0.26735 0.18504 0.01894 -0.02605 -0.04448 80 TYR B CD1 9108 C CD2 . TYR F 81 ? 0.24067 0.28150 0.19885 -0.00027 -0.03820 -0.03729 80 TYR B CD2 9109 C CE1 . TYR F 81 ? 0.26774 0.30305 0.19576 0.01975 -0.01029 -0.05180 80 TYR B CE1 9110 C CE2 . TYR F 81 ? 0.25453 0.30210 0.20392 0.02055 -0.02585 -0.03980 80 TYR B CE2 9111 C CZ . TYR F 81 ? 0.26442 0.29886 0.20393 -0.01436 -0.01750 -0.03791 80 TYR B CZ 9112 O OH . TYR F 81 ? 0.30557 0.30747 0.24447 -0.02364 -0.02122 -0.04514 80 TYR B OH 9122 N N A MET F 82 ? 0.17809 0.23804 0.19570 0.01899 0.00298 -0.01897 81 MET B N 9123 N N B MET F 82 ? 0.18062 0.24057 0.19661 0.02656 0.00429 -0.01753 81 MET B N 9124 C CA A MET F 82 ? 0.18350 0.26754 0.18772 -0.00290 0.00046 -0.01865 81 MET B CA 9125 C CA B MET F 82 ? 0.18626 0.26824 0.18942 0.00705 -0.00343 -0.01041 81 MET B CA 9126 C C A MET F 82 ? 0.19803 0.29238 0.18304 -0.00814 0.00042 -0.02505 81 MET B C 9127 C C B MET F 82 ? 0.19436 0.28812 0.18118 -0.00298 -0.00082 -0.01615 81 MET B C 9128 O O A MET F 82 ? 0.22002 0.28902 0.18231 -0.00598 0.00991 -0.03369 81 MET B O 9129 O O B MET F 82 ? 0.21182 0.28642 0.17840 0.00009 0.00630 -0.02155 81 MET B O 9130 C CB A MET F 82 ? 0.21645 0.29016 0.19331 -0.03563 0.00017 -0.02509 81 MET B CB 9131 C CB B MET F 82 ? 0.21323 0.29796 0.19386 -0.00819 -0.01502 -0.00231 81 MET B CB 9132 C CG A MET F 82 ? 0.22412 0.27365 0.19169 -0.02573 -0.00258 -0.02462 81 MET B CG 9133 C CG B MET F 82 ? 0.22570 0.32667 0.18376 0.01646 -0.02681 0.01551 81 MET B CG 9134 S SD A MET F 82 ? 0.21079 0.30451 0.20752 0.00370 0.00538 -0.01958 81 MET B SD 9135 S SD B MET F 82 ? 0.22568 0.36134 0.18721 0.01965 -0.02534 0.02947 81 MET B SD 9136 C CE A MET F 82 ? 0.17971 0.31963 0.19790 0.01909 0.01271 -0.00617 81 MET B CE 9137 C CE B MET F 82 ? 0.22366 0.37306 0.17592 0.03522 -0.04160 0.04143 81 MET B CE 9156 N N . GLU F 83 ? 0.17551 0.28634 0.17446 -0.01365 0.00270 -0.00283 82 GLU B N 9157 C CA . GLU F 83 ? 0.18640 0.28560 0.16532 0.00255 -0.00387 0.00457 82 GLU B CA 9158 C C . GLU F 83 ? 0.19380 0.24467 0.19088 0.01783 -0.00511 0.00032 82 GLU B C 9159 O O . GLU F 83 ? 0.20631 0.27218 0.22096 0.02383 0.00370 0.02236 82 GLU B O 9160 C CB . GLU F 83 ? 0.25076 0.35479 0.17554 0.01344 -0.02847 0.01063 82 GLU B CB 9161 C CG . GLU F 83 ? 0.29649 0.39091 0.17719 0.00716 -0.01465 0.01851 82 GLU B CG 9162 C CD . GLU F 83 ? 0.33425 0.45952 0.23352 0.02190 0.01514 0.02760 82 GLU B CD 9163 O OE1 . GLU F 83 ? 0.34144 0.45439 0.22850 0.02548 -0.00870 0.02659 82 GLU B OE1 9164 O OE2 . GLU F 83 ? 0.36026 0.50147 0.23954 0.03463 0.04936 0.02911 82 GLU B OE2 9172 N N . LEU F 84 ? 0.21700 0.25435 0.18813 -0.00048 -0.01158 0.01573 83 LEU B N 9173 C CA . LEU F 84 ? 0.19914 0.26272 0.18168 0.00379 0.00048 0.01572 83 LEU B CA 9174 C C . LEU F 84 ? 0.21330 0.26935 0.19410 0.00589 -0.00093 0.00160 83 LEU B C 9175 O O . LEU F 84 ? 0.19413 0.27985 0.21165 0.01459 -0.00444 0.00409 83 LEU B O 9176 C CB . LEU F 84 ? 0.23302 0.31273 0.19234 -0.00557 0.00450 0.03538 83 LEU B CB 9177 C CG . LEU F 84 ? 0.24703 0.33795 0.19940 0.00808 -0.00940 0.05506 83 LEU B CG 9178 C CD1 . LEU F 84 ? 0.27261 0.34202 0.20827 0.02889 -0.01772 0.03112 83 LEU B CD1 9179 C CD2 . LEU F 84 ? 0.24570 0.36145 0.19552 0.02126 -0.00068 0.06019 83 LEU B CD2 9191 N N . ARG F 85 ? 0.22896 0.28484 0.18202 0.00273 0.00936 0.01391 84 ARG B N 9192 C CA . ARG F 85 ? 0.21202 0.32021 0.19750 -0.00214 0.00438 0.02730 84 ARG B CA 9193 C C . ARG F 85 ? 0.21501 0.34053 0.21255 -0.00078 0.00164 0.05042 84 ARG B C 9194 O O . ARG F 85 ? 0.20523 0.38813 0.20926 0.00798 0.00770 0.03055 84 ARG B O 9195 C CB . ARG F 85 ? 0.21300 0.33342 0.19092 0.00565 0.00405 0.02981 84 ARG B CB 9196 C CG . ARG F 85 ? 0.20206 0.34558 0.21095 0.02001 0.01026 0.03987 84 ARG B CG 9197 C CD . ARG F 85 ? 0.23080 0.32795 0.22683 0.02633 0.00719 0.05491 84 ARG B CD 9198 N NE . ARG F 85 ? 0.23194 0.33182 0.21563 0.03704 0.00416 0.03193 84 ARG B NE 9199 C CZ . ARG F 85 ? 0.25216 0.33248 0.20161 0.01364 -0.01017 0.00158 84 ARG B CZ 9200 N NH1 . ARG F 85 ? 0.28453 0.36624 0.21716 0.01673 -0.03095 -0.00669 84 ARG B NH1 9201 N NH2 . ARG F 85 ? 0.28878 0.31601 0.20941 0.02091 -0.01371 -0.00800 84 ARG B NH2 9215 N N . SER F 86 ? 0.20225 0.30686 0.23215 0.00651 0.00241 0.05775 85 SER B N 9216 C CA . SER F 86 ? 0.20499 0.31858 0.22612 -0.00223 0.00914 0.05069 85 SER B CA 9217 C C . SER F 86 ? 0.21803 0.32462 0.21208 0.01218 -0.02048 0.02520 85 SER B C 9218 O O . SER F 86 ? 0.24381 0.34144 0.22156 -0.01168 -0.01437 0.03640 85 SER B O 9219 C CB . SER F 86 ? 0.21490 0.35519 0.25017 0.00676 0.00692 0.05401 85 SER B CB 9220 O OG . SER F 86 ? 0.25677 0.37642 0.27721 -0.01795 -0.00433 0.06770 85 SER B OG 9226 N N . LEU F 87 ? 0.20761 0.30103 0.19191 0.03442 -0.02532 0.01462 86 LEU B N 9227 C CA . LEU F 87 ? 0.22219 0.32540 0.18275 0.03398 -0.02337 0.00939 86 LEU B CA 9228 C C . LEU F 87 ? 0.21728 0.35527 0.19684 0.02298 -0.02190 0.01558 86 LEU B C 9229 O O . LEU F 87 ? 0.22184 0.33920 0.22645 0.00552 -0.00426 0.02278 86 LEU B O 9230 C CB . LEU F 87 ? 0.21252 0.32395 0.19205 0.02876 -0.03861 0.00138 86 LEU B CB 9231 C CG . LEU F 87 ? 0.21210 0.29528 0.18406 0.03143 -0.02789 -0.00496 86 LEU B CG 9232 C CD1 . LEU F 87 ? 0.22177 0.31609 0.19983 0.01657 -0.01998 -0.04415 86 LEU B CD1 9233 C CD2 . LEU F 87 ? 0.23850 0.31760 0.20422 0.03687 -0.01483 0.02772 86 LEU B CD2 9245 N N . ARG F 88 ? 0.19021 0.38460 0.19787 -0.01520 -0.05035 0.03732 87 ARG B N 9246 C CA . ARG F 88 ? 0.21941 0.40836 0.24164 -0.02921 -0.04721 0.04300 87 ARG B CA 9247 C C . ARG F 88 ? 0.20851 0.33486 0.22237 -0.02504 -0.04088 0.00854 87 ARG B C 9248 O O . ARG F 88 ? 0.20054 0.29359 0.20906 -0.02574 -0.00987 -0.02177 87 ARG B O 9249 C CB . ARG F 88 ? 0.30002 0.46035 0.30988 -0.04313 -0.04969 0.07794 87 ARG B CB 9250 C CG . ARG F 88 ? 0.37848 0.54679 0.40597 -0.05729 -0.02949 0.09465 87 ARG B CG 9251 C CD . ARG F 88 ? 0.42259 0.64553 0.50052 -0.06894 -0.00661 0.10031 87 ARG B CD 9252 N NE . ARG F 88 ? 0.45675 0.70778 0.52845 -0.07603 0.01698 0.11429 87 ARG B NE 9253 C CZ . ARG F 88 ? 0.49188 0.71435 0.56334 -0.10321 0.02995 0.10650 87 ARG B CZ 9254 N NH1 . ARG F 88 ? 0.45780 0.71496 0.57976 -0.13548 0.05813 0.10965 87 ARG B NH1 9255 N NH2 . ARG F 88 ? 0.52075 0.72322 0.57064 -0.13060 0.03749 0.10613 87 ARG B NH2 9269 N N . SER F 89 ? 0.21923 0.35207 0.25205 -0.01510 -0.01804 0.01653 88 SER B N 9270 C CA . SER F 89 ? 0.22440 0.35052 0.23230 -0.00522 -0.01431 -0.02545 88 SER B CA 9271 C C . SER F 89 ? 0.20174 0.33823 0.21987 0.01395 -0.03532 -0.01891 88 SER B C 9272 O O . SER F 89 ? 0.21803 0.33235 0.22299 0.01995 -0.03122 -0.03151 88 SER B O 9273 C CB . SER F 89 ? 0.22157 0.35830 0.22794 -0.02432 -0.01176 -0.05791 88 SER B CB 9274 O OG . SER F 89 ? 0.22987 0.36937 0.23486 -0.00670 -0.01208 -0.02725 88 SER B OG 9280 N N . ASP F 90 ? 0.21700 0.33168 0.22370 0.02351 -0.02881 -0.03001 89 ASP B N 9281 C CA . ASP F 90 ? 0.23269 0.31765 0.25818 0.01285 -0.03021 -0.03774 89 ASP B CA 9282 C C . ASP F 90 ? 0.21041 0.34431 0.21489 -0.00789 -0.03243 -0.03873 89 ASP B C 9283 O O . ASP F 90 ? 0.22515 0.36339 0.21156 0.02356 -0.00495 -0.04054 89 ASP B O 9284 C CB . ASP F 90 ? 0.26814 0.33631 0.32112 0.01115 -0.04099 -0.04807 89 ASP B CB 9285 C CG . ASP F 90 ? 0.36267 0.35677 0.35379 -0.02311 -0.03212 -0.06566 89 ASP B CG 9286 O OD1 . ASP F 90 ? 0.39792 0.39612 0.34587 -0.03468 -0.08555 -0.07583 89 ASP B OD1 9287 O OD2 . ASP F 90 ? 0.40682 0.35310 0.37930 -0.02337 0.01067 -0.06912 89 ASP B OD2 9292 N N . ASP F 91 ? 0.19374 0.34394 0.18807 0.00574 -0.02565 -0.02267 90 ASP B N 9293 C CA . ASP F 91 ? 0.19401 0.30730 0.16921 0.03539 -0.00275 0.01323 90 ASP B CA 9294 C C . ASP F 91 ? 0.19120 0.29178 0.17553 0.02169 -0.00373 -0.01552 90 ASP B C 9295 O O . ASP F 91 ? 0.17705 0.26817 0.20071 0.02710 -0.01739 0.01639 90 ASP B O 9296 C CB . ASP F 91 ? 0.19331 0.29132 0.19970 0.02867 -0.02257 0.05093 90 ASP B CB 9297 C CG . ASP F 91 ? 0.22235 0.32133 0.23129 0.01383 -0.01061 0.04842 90 ASP B CG 9298 O OD1 . ASP F 91 ? 0.23868 0.36028 0.23426 0.01890 0.01408 0.00805 90 ASP B OD1 9299 O OD2 . ASP F 91 ? 0.23380 0.31691 0.25302 -0.00727 0.00465 0.06543 90 ASP B OD2 9304 N N . THR F 92 ? 0.18327 0.29486 0.17595 0.02422 0.01831 -0.03761 91 THR B N 9305 C CA . THR F 92 ? 0.16801 0.29144 0.16693 0.02385 0.00430 -0.00192 91 THR B CA 9306 C C . THR F 92 ? 0.19202 0.28915 0.17339 0.04833 -0.02729 -0.00426 91 THR B C 9307 O O . THR F 92 ? 0.19836 0.29768 0.18483 0.03427 -0.01359 -0.02843 91 THR B O 9308 C CB . THR F 92 ? 0.16365 0.25406 0.15134 0.03377 0.00833 0.01165 91 THR B CB 9309 O OG1 . THR F 92 ? 0.21614 0.29408 0.17568 0.01682 0.01121 0.01060 91 THR B OG1 9310 C CG2 . THR F 92 ? 0.19075 0.26970 0.19322 0.04314 0.00312 0.02446 91 THR B CG2 9318 N N . ALA F 93 ? 0.20071 0.26842 0.16509 0.02490 -0.01108 -0.00257 92 ALA B N 9319 C CA . ALA F 93 ? 0.21559 0.27432 0.17272 0.02291 0.00227 0.02545 92 ALA B CA 9320 C C . ALA F 93 ? 0.18824 0.27232 0.15167 0.02958 0.00080 0.00782 92 ALA B C 9321 O O . ALA F 93 ? 0.19759 0.28151 0.17257 0.02338 -0.01362 -0.00931 92 ALA B O 9322 C CB . ALA F 93 ? 0.18339 0.23795 0.20122 0.03276 -0.01952 0.02270 92 ALA B CB 9328 N N . VAL F 94 ? 0.15744 0.28113 0.15844 0.03030 -0.01383 0.03323 93 VAL B N 9329 C CA . VAL F 94 ? 0.16832 0.27367 0.17067 0.04193 -0.00572 0.01554 93 VAL B CA 9330 C C . VAL F 94 ? 0.17640 0.24875 0.17662 0.02891 -0.00554 -0.01513 93 VAL B C 9331 O O . VAL F 94 ? 0.19192 0.24782 0.19746 0.06981 -0.01258 -0.01857 93 VAL B O 9332 C CB . VAL F 94 ? 0.20277 0.25498 0.21322 0.05327 -0.00548 0.03676 93 VAL B CB 9333 C CG1 . VAL F 94 ? 0.20473 0.25172 0.23601 0.06562 -0.00428 0.05890 93 VAL B CG1 9334 C CG2 . VAL F 94 ? 0.23887 0.23182 0.21311 0.02228 0.00647 0.03902 93 VAL B CG2 9344 N N . TYR F 95 ? 0.18497 0.23131 0.17414 0.03076 -0.00085 -0.00007 94 TYR B N 9345 C CA . TYR F 95 ? 0.18228 0.24492 0.18416 0.02910 -0.01280 -0.00153 94 TYR B CA 9346 C C . TYR F 95 ? 0.18658 0.22486 0.18869 0.02959 -0.01914 -0.00531 94 TYR B C 9347 O O . TYR F 95 ? 0.20440 0.21295 0.22399 0.00102 -0.00376 -0.00724 94 TYR B O 9348 C CB . TYR F 95 ? 0.17226 0.26803 0.15729 0.03448 -0.00709 0.00059 94 TYR B CB 9349 C CG . TYR F 95 ? 0.16751 0.25627 0.17055 0.05427 -0.00551 0.00558 94 TYR B CG 9350 C CD1 . TYR F 95 ? 0.16467 0.27277 0.18097 0.03721 -0.00369 0.00633 94 TYR B CD1 9351 C CD2 . TYR F 95 ? 0.18486 0.25648 0.18811 0.01514 -0.00424 -0.00056 94 TYR B CD2 9352 C CE1 . TYR F 95 ? 0.14751 0.27612 0.18337 0.02177 0.00412 -0.00287 94 TYR B CE1 9353 C CE2 . TYR F 95 ? 0.17601 0.25297 0.18666 -0.00324 0.02531 0.02584 94 TYR B CE2 9354 C CZ . TYR F 95 ? 0.17385 0.27701 0.18324 0.02812 -0.00161 0.00875 94 TYR B CZ 9355 O OH . TYR F 95 ? 0.18831 0.29212 0.20171 0.03216 -0.00300 0.00350 94 TYR B OH 9365 N N . TYR F 96 ? 0.17332 0.26230 0.16284 0.04734 -0.01583 -0.00008 95 TYR B N 9366 C CA . TYR F 96 ? 0.16287 0.23257 0.15963 0.02456 -0.01025 0.00070 95 TYR B CA 9367 C C . TYR F 96 ? 0.18934 0.19488 0.17268 0.01614 0.00090 0.00664 95 TYR B C 9368 O O . TYR F 96 ? 0.19481 0.19570 0.19546 0.03423 -0.02128 0.01148 95 TYR B O 9369 C CB . TYR F 96 ? 0.18757 0.20919 0.16421 0.02790 -0.00806 0.01836 95 TYR B CB 9370 C CG . TYR F 96 ? 0.19036 0.22959 0.17593 0.03091 -0.00956 0.00431 95 TYR B CG 9371 C CD1 . TYR F 96 ? 0.21918 0.29825 0.16013 0.04519 -0.01142 0.01606 95 TYR B CD1 9372 C CD2 . TYR F 96 ? 0.19275 0.25527 0.22395 -0.00567 -0.02667 -0.00400 95 TYR B CD2 9373 C CE1 . TYR F 96 ? 0.21000 0.31479 0.17272 0.04350 0.01521 0.01392 95 TYR B CE1 9374 C CE2 . TYR F 96 ? 0.19507 0.24023 0.21182 -0.00529 -0.03566 0.00746 95 TYR B CE2 9375 C CZ . TYR F 96 ? 0.21422 0.26191 0.19336 0.01946 -0.02637 0.01408 95 TYR B CZ 9376 O OH . TYR F 96 ? 0.25120 0.30567 0.22947 0.05628 -0.03391 0.03104 95 TYR B OH 9386 N N . CYS F 97 ? 0.17858 0.20732 0.18489 0.01808 -0.00465 -0.00700 96 CYS B N 9387 C CA . CYS F 97 ? 0.18919 0.20984 0.18179 0.03024 -0.00704 -0.00526 96 CYS B CA 9388 C C . CYS F 97 ? 0.18027 0.19094 0.15827 0.02002 -0.00666 0.00220 96 CYS B C 9389 O O . CYS F 97 ? 0.20923 0.19025 0.18834 0.01661 -0.00794 0.00785 96 CYS B O 9390 C CB . CYS F 97 ? 0.21592 0.23222 0.20454 0.04393 -0.00343 -0.02151 96 CYS B CB 9391 S SG . CYS F 97 ? 0.22993 0.27438 0.21199 0.01026 -0.01472 -0.03195 96 CYS B SG 9396 N N . ALA F 98 ? 0.17780 0.22603 0.16089 0.01653 -0.00658 0.01404 97 ALA B N 9397 C CA . ALA F 98 ? 0.21846 0.22403 0.16167 0.03553 0.00909 0.00863 97 ALA B CA 9398 C C . ALA F 98 ? 0.23344 0.19496 0.18338 0.04203 0.00015 0.01883 97 ALA B C 9399 O O . ALA F 98 ? 0.21809 0.19552 0.21539 0.02954 0.01125 0.02927 97 ALA B O 9400 C CB . ALA F 98 ? 0.26507 0.25475 0.20067 0.05706 0.01972 0.00732 97 ALA B CB 9406 N N . ARG F 99 ? 0.19765 0.21167 0.19125 0.03125 -0.00850 0.02156 98 ARG B N 9407 C CA . ARG F 99 ? 0.18087 0.17808 0.17883 0.00685 -0.02024 0.00570 98 ARG B CA 9408 C C . ARG F 99 ? 0.19415 0.19178 0.17946 0.01686 -0.00067 0.00110 98 ARG B C 9409 O O . ARG F 99 ? 0.19391 0.23586 0.16211 0.01315 -0.00139 0.00430 98 ARG B O 9410 C CB . ARG F 99 ? 0.18623 0.15891 0.20263 -0.01107 -0.01372 -0.00661 98 ARG B CB 9411 C CG . ARG F 99 ? 0.16903 0.19513 0.20626 0.00286 -0.01246 -0.02413 98 ARG B CG 9412 C CD . ARG F 99 ? 0.19013 0.25238 0.21235 -0.00441 -0.02134 -0.00448 98 ARG B CD 9413 N NE . ARG F 99 ? 0.17263 0.29578 0.21538 -0.02249 -0.01632 -0.00159 98 ARG B NE 9414 C CZ . ARG F 99 ? 0.19393 0.33373 0.21425 -0.05936 -0.00820 -0.00006 98 ARG B CZ 9415 N NH1 . ARG F 99 ? 0.26734 0.34101 0.24084 -0.06260 -0.02758 -0.00813 98 ARG B NH1 9416 N NH2 . ARG F 99 ? 0.25589 0.37563 0.22903 -0.05663 0.00201 0.00429 98 ARG B NH2 9430 N N . ASP F 100 ? 0.19271 0.16250 0.17599 0.01986 -0.00249 0.00608 99 ASP B N 9431 C CA . ASP F 100 ? 0.20586 0.22694 0.17229 0.02043 0.00178 -0.01154 99 ASP B CA 9432 C C . ASP F 100 ? 0.19658 0.25838 0.16307 0.03537 -0.00977 0.01402 99 ASP B C 9433 O O . ASP F 100 ? 0.19183 0.29430 0.16450 0.02282 -0.00773 0.02219 99 ASP B O 9434 C CB . ASP F 100 ? 0.20583 0.27449 0.18251 0.00847 -0.01467 -0.02071 99 ASP B CB 9435 C CG . ASP F 100 ? 0.20839 0.24509 0.19420 -0.00203 -0.01235 -0.00614 99 ASP B CG 9436 O OD1 . ASP F 100 ? 0.21741 0.22150 0.20127 0.01544 0.00371 -0.01985 99 ASP B OD1 9437 O OD2 . ASP F 100 ? 0.21077 0.23447 0.20333 0.00028 -0.01545 -0.02201 99 ASP B OD2 9442 N N . ASN F 101 ? 0.19079 0.24696 0.17067 0.02068 0.01422 0.02091 100 ASN B N 9443 C CA . ASN F 101 ? 0.18315 0.26205 0.17324 0.01864 0.00849 0.01484 100 ASN B CA 9444 C C . ASN F 101 ? 0.19089 0.26045 0.18550 0.02826 -0.00331 0.00676 100 ASN B C 9445 O O . ASN F 101 ? 0.19786 0.27648 0.21244 0.00957 -0.02264 0.01928 100 ASN B O 9446 C CB . ASN F 101 ? 0.19585 0.27347 0.15268 0.00795 0.00417 0.02613 100 ASN B CB 9447 C CG . ASN F 101 ? 0.24014 0.27903 0.15875 0.01737 -0.00429 0.04041 100 ASN B CG 9448 O OD1 . ASN F 101 ? 0.26068 0.30184 0.19635 0.02621 0.01387 0.03101 100 ASN B OD1 9449 N ND2 . ASN F 101 ? 0.25364 0.29951 0.20447 0.01686 -0.00121 0.04005 100 ASN B ND2 9456 N N . LEU F 102 ? 0.20321 0.25342 0.16616 0.04161 -0.02135 0.01718 101 LEU B N 9457 C CA . LEU F 102 ? 0.18505 0.26892 0.17298 0.01727 -0.03049 0.02325 101 LEU B CA 9458 C C . LEU F 102 ? 0.17754 0.26699 0.18723 0.01779 0.00112 0.00876 101 LEU B C 9459 O O . LEU F 102 ? 0.19690 0.22872 0.17457 0.00461 -0.00774 0.00721 101 LEU B O 9460 C CB . LEU F 102 ? 0.19127 0.27777 0.16879 0.01741 -0.00493 0.02416 101 LEU B CB 9461 C CG . LEU F 102 ? 0.21815 0.27176 0.20511 0.03188 0.00287 0.03731 101 LEU B CG 9462 C CD1 . LEU F 102 ? 0.26455 0.27142 0.22678 0.06487 0.03425 0.05679 101 LEU B CD1 9463 C CD2 . LEU F 102 ? 0.26003 0.30680 0.22211 0.03628 -0.01168 0.03745 101 LEU B CD2 9475 N N . GLY F 103 ? 0.18580 0.28527 0.19462 0.01843 -0.02412 0.01199 102 GLY B N 9476 C CA . GLY F 103 ? 0.18881 0.27038 0.19731 0.00533 -0.02954 0.00117 102 GLY B CA 9477 C C . GLY F 103 ? 0.19270 0.24171 0.19000 0.00576 -0.01976 -0.03239 102 GLY B C 9478 O O . GLY F 103 ? 0.21639 0.20940 0.19145 0.01618 -0.02910 -0.03047 102 GLY B O 9482 N N . TYR F 104 ? 0.19999 0.22497 0.17376 -0.00605 -0.01950 -0.03642 103 TYR B N 9483 C CA . TYR F 104 ? 0.21498 0.20970 0.17821 0.01961 0.00006 -0.02691 103 TYR B CA 9484 C C . TYR F 104 ? 0.19349 0.19856 0.20157 -0.00167 -0.01381 -0.02744 103 TYR B C 9485 O O . TYR F 104 ? 0.21012 0.21222 0.22026 0.02488 -0.02218 -0.03240 103 TYR B O 9486 C CB . TYR F 104 ? 0.23669 0.21256 0.16182 -0.00499 -0.02344 -0.03001 103 TYR B CB 9487 C CG . TYR F 104 ? 0.21462 0.22481 0.16253 0.00877 0.00037 -0.01711 103 TYR B CG 9488 C CD1 . TYR F 104 ? 0.21765 0.21393 0.17799 -0.00476 -0.01110 -0.02735 103 TYR B CD1 9489 C CD2 . TYR F 104 ? 0.19403 0.23247 0.13917 0.05659 -0.01608 -0.01039 103 TYR B CD2 9490 C CE1 . TYR F 104 ? 0.21828 0.21771 0.16274 0.00565 0.00883 -0.03912 103 TYR B CE1 9491 C CE2 . TYR F 104 ? 0.21655 0.25871 0.15691 0.05046 -0.02245 -0.00186 103 TYR B CE2 9492 C CZ . TYR F 104 ? 0.20031 0.23277 0.14741 0.03323 -0.02061 -0.01816 103 TYR B CZ 9493 O OH . TYR F 104 ? 0.18660 0.26456 0.15915 0.03118 -0.01583 -0.03256 103 TYR B OH 9503 N N . CYS F 105 ? 0.17979 0.20721 0.22771 -0.00121 -0.00868 -0.02689 104 CYS B N 9504 C CA . CYS F 105 ? 0.18091 0.22992 0.22900 0.00990 -0.03493 -0.03220 104 CYS B CA 9505 C C . CYS F 105 ? 0.19451 0.21560 0.27678 0.00700 -0.03452 -0.01376 104 CYS B C 9506 O O . CYS F 105 ? 0.25717 0.24684 0.30477 0.02611 -0.01278 0.01632 104 CYS B O 9507 C CB . CYS F 105 ? 0.19271 0.29370 0.20988 0.01341 -0.04448 -0.03167 104 CYS B CB 9508 S SG . CYS F 105 ? 0.21673 0.32864 0.22394 0.02651 -0.01410 -0.03223 104 CYS B SG 9513 N N . SER F 106 ? 0.19498 0.22920 0.26881 0.00424 -0.01547 0.02461 105 SER B N 9514 C CA . SER F 106 ? 0.21212 0.24984 0.26911 -0.01770 -0.02230 0.02454 105 SER B CA 9515 C C . SER F 106 ? 0.20003 0.27389 0.27819 -0.01874 -0.01750 0.02567 105 SER B C 9516 O O . SER F 106 ? 0.21147 0.27580 0.24989 0.01094 0.00861 0.00629 105 SER B O 9517 C CB . SER F 106 ? 0.27345 0.29216 0.27700 -0.03264 -0.03171 0.05035 105 SER B CB 9518 O OG . SER F 106 ? 0.30012 0.33318 0.26260 -0.02858 -0.04316 0.05049 105 SER B OG 9524 N N . GLY F 107 ? 0.20706 0.29187 0.31296 -0.02554 -0.04872 0.04193 106 GLY B N 9525 C CA . GLY F 107 ? 0.20936 0.30230 0.33125 -0.00938 -0.05038 0.05204 106 GLY B CA 9526 C C . GLY F 107 ? 0.19923 0.29532 0.29758 -0.01723 -0.01654 0.02819 106 GLY B C 9527 O O . GLY F 107 ? 0.19608 0.36834 0.32117 -0.01653 0.00819 -0.01065 106 GLY B O 9531 N N . GLY F 108 ? 0.20604 0.27101 0.26463 -0.03870 -0.01122 0.00361 107 GLY B N 9532 C CA . GLY F 108 ? 0.21502 0.26045 0.24560 -0.03175 -0.00433 -0.01772 107 GLY B CA 9533 C C . GLY F 108 ? 0.20950 0.21837 0.22112 -0.03306 0.00157 -0.02344 107 GLY B C 9534 O O . GLY F 108 ? 0.22784 0.23586 0.22722 -0.00753 0.01423 -0.03150 107 GLY B O 9538 N N . SER F 109 ? 0.17430 0.20908 0.19335 -0.01656 0.00281 -0.02555 108 SER B N 9539 C CA . SER F 109 ? 0.18150 0.20055 0.17856 0.00479 -0.00036 -0.02921 108 SER B CA 9540 C C . SER F 109 ? 0.18148 0.18881 0.18217 0.01652 -0.02528 -0.02929 108 SER B C 9541 O O . SER F 109 ? 0.20369 0.20083 0.21236 0.05087 -0.01513 -0.00976 108 SER B O 9542 C CB . SER F 109 ? 0.22454 0.22363 0.19987 0.00510 0.01512 -0.01358 108 SER B CB 9543 O OG . SER F 109 ? 0.27475 0.25072 0.22227 -0.00471 0.02847 -0.02985 108 SER B OG 9549 N N . CYS F 110 ? 0.15455 0.21454 0.18343 0.02314 -0.01732 -0.04254 109 CYS B N 9550 C CA . CYS F 110 ? 0.15640 0.25431 0.18290 0.02181 0.00440 -0.02292 109 CYS B CA 9551 C C . CYS F 110 ? 0.18522 0.22085 0.19041 0.00864 0.00526 -0.02758 109 CYS B C 9552 O O . CYS F 110 ? 0.19024 0.23465 0.21008 0.02372 0.00802 -0.05365 109 CYS B O 9553 C CB . CYS F 110 ? 0.18355 0.33209 0.17469 0.01277 -0.00645 -0.06669 109 CYS B CB 9554 S SG . CYS F 110 ? 0.22961 0.35792 0.20379 -0.00282 -0.01529 -0.04041 109 CYS B SG 9559 N N . TYR F 111 ? 0.16779 0.21504 0.19667 -0.00046 -0.00584 -0.02162 110 TYR B N 9560 C CA . TYR F 111 ? 0.19548 0.20830 0.17283 0.00082 0.00020 0.00412 110 TYR B CA 9561 C C . TYR F 111 ? 0.19815 0.22745 0.17998 0.02196 -0.00804 -0.00905 110 TYR B C 9562 O O . TYR F 111 ? 0.21768 0.26186 0.17258 0.03204 0.00085 -0.01806 110 TYR B O 9563 C CB . TYR F 111 ? 0.19089 0.20240 0.19113 -0.00789 -0.01992 -0.01570 110 TYR B CB 9564 C CG . TYR F 111 ? 0.19847 0.15207 0.18257 0.01794 -0.02023 -0.02136 110 TYR B CG 9565 C CD1 . TYR F 111 ? 0.18454 0.20388 0.18813 0.03406 -0.01671 -0.02315 110 TYR B CD1 9566 C CD2 . TYR F 111 ? 0.17203 0.16539 0.18129 0.00159 0.00782 -0.01646 110 TYR B CD2 9567 C CE1 . TYR F 111 ? 0.18975 0.21671 0.16993 0.01965 0.00631 -0.02204 110 TYR B CE1 9568 C CE2 . TYR F 111 ? 0.19021 0.23446 0.18122 -0.00087 -0.01464 -0.00334 110 TYR B CE2 9569 C CZ . TYR F 111 ? 0.20451 0.23416 0.16774 0.02657 0.00249 -0.00418 110 TYR B CZ 9570 O OH . TYR F 111 ? 0.22088 0.28255 0.17717 0.01607 0.02185 0.01511 110 TYR B OH 9580 N N . SER F 112 ? 0.20827 0.19766 0.20293 0.03876 -0.02117 -0.00642 111 SER B N 9581 C CA . SER F 112 ? 0.20777 0.21603 0.22543 0.01205 0.00826 -0.02035 111 SER B CA 9582 C C . SER F 112 ? 0.22164 0.26099 0.22037 0.00341 0.00655 -0.02240 111 SER B C 9583 O O . SER F 112 ? 0.21674 0.29650 0.20446 0.00340 0.01913 0.02858 111 SER B O 9584 C CB . SER F 112 ? 0.25291 0.23733 0.28608 0.05628 0.05058 -0.00071 111 SER B CB 9585 O OG . SER F 112 ? 0.28329 0.25979 0.30782 0.06934 0.07226 0.02352 111 SER B OG 9591 N N . ASP F 113 ? 0.20185 0.26096 0.22710 -0.01503 0.00913 -0.02773 112 ASP B N 9592 C CA . ASP F 113 ? 0.19529 0.26175 0.25618 -0.00878 0.01973 -0.03244 112 ASP B CA 9593 C C . ASP F 113 ? 0.21469 0.21681 0.22515 -0.00888 0.01721 0.01618 112 ASP B C 9594 O O . ASP F 113 ? 0.23991 0.21481 0.22193 0.00199 0.02795 0.00680 112 ASP B O 9595 C CB . ASP F 113 ? 0.21788 0.29163 0.30766 -0.03439 0.00189 -0.06765 112 ASP B CB 9596 C CG . ASP F 113 ? 0.33896 0.33647 0.35962 -0.01396 0.01774 -0.09574 112 ASP B CG 9597 O OD1 . ASP F 113 ? 0.38032 0.33708 0.39340 -0.00073 -0.02546 -0.07228 112 ASP B OD1 9598 O OD2 . ASP F 113 ? 0.39849 0.37782 0.41856 -0.00152 0.04680 -0.10645 112 ASP B OD2 9603 N N . TYR F 114 ? 0.19977 0.23409 0.21438 0.03339 0.00731 0.01126 113 TYR B N 9604 C CA . TYR F 114 ? 0.22815 0.27231 0.24087 0.03299 0.01609 -0.02218 113 TYR B CA 9605 C C . TYR F 114 ? 0.24099 0.28050 0.23467 0.03679 -0.01698 -0.01634 113 TYR B C 9606 O O . TYR F 114 ? 0.29785 0.25456 0.25575 0.00332 -0.02437 -0.01462 113 TYR B O 9607 C CB . TYR F 114 ? 0.27311 0.29086 0.27587 0.01752 0.02599 -0.03565 113 TYR B CB 9608 C CG . TYR F 114 ? 0.25552 0.30335 0.26378 0.01814 0.02403 -0.01456 113 TYR B CG 9609 C CD1 . TYR F 114 ? 0.24607 0.32528 0.27689 0.01734 -0.00400 0.00243 113 TYR B CD1 9610 C CD2 . TYR F 114 ? 0.29288 0.33052 0.28023 0.02394 0.01492 0.00006 113 TYR B CD2 9611 C CE1 . TYR F 114 ? 0.28048 0.33656 0.28519 0.04084 0.00772 0.01849 113 TYR B CE1 9612 C CE2 . TYR F 114 ? 0.33771 0.34450 0.28938 0.03020 0.01048 0.00628 113 TYR B CE2 9613 C CZ . TYR F 114 ? 0.35476 0.34868 0.28229 0.07132 -0.00399 0.01776 113 TYR B CZ 9614 O OH . TYR F 114 ? 0.42665 0.38156 0.33228 0.11799 -0.00458 0.01271 113 TYR B OH 9624 N N . TYR F 115 ? 0.20469 0.26365 0.21739 0.04161 -0.04934 -0.01663 114 TYR B N 9625 C CA . TYR F 115 ? 0.20169 0.27880 0.22146 0.05711 -0.04016 -0.02941 114 TYR B CA 9626 C C . TYR F 115 ? 0.19286 0.28056 0.22240 0.03770 -0.03673 -0.02888 114 TYR B C 9627 O O . TYR F 115 ? 0.20869 0.27901 0.22590 0.01761 -0.02547 -0.04485 114 TYR B O 9628 C CB . TYR F 115 ? 0.24077 0.27125 0.20424 0.06345 -0.04734 -0.05883 114 TYR B CB 9629 C CG . TYR F 115 ? 0.24954 0.28083 0.20923 0.04559 -0.04860 -0.06475 114 TYR B CG 9630 C CD1 . TYR F 115 ? 0.23495 0.28757 0.22643 0.04284 -0.06803 -0.05604 114 TYR B CD1 9631 C CD2 . TYR F 115 ? 0.26054 0.27454 0.22905 0.04247 -0.06064 -0.07270 114 TYR B CD2 9632 C CE1 . TYR F 115 ? 0.27565 0.29698 0.24529 0.03300 -0.08134 -0.05600 114 TYR B CE1 9633 C CE2 . TYR F 115 ? 0.28562 0.25948 0.24147 0.03848 -0.05888 -0.07385 114 TYR B CE2 9634 C CZ . TYR F 115 ? 0.30471 0.29881 0.23513 0.03894 -0.09121 -0.06400 114 TYR B CZ 9635 O OH . TYR F 115 ? 0.31341 0.32542 0.24355 0.06099 -0.08766 -0.06598 114 TYR B OH 9645 N N . TYR F 116 ? 0.20008 0.25429 0.21950 0.04303 -0.01501 -0.02155 115 TYR B N 9646 C CA . TYR F 116 ? 0.19163 0.25507 0.19767 0.01714 -0.02189 -0.04233 115 TYR B CA 9647 C C . TYR F 116 ? 0.19839 0.29148 0.19454 0.02079 -0.02372 -0.01600 115 TYR B C 9648 O O . TYR F 116 ? 0.23298 0.30622 0.21426 0.01325 -0.03566 -0.04505 115 TYR B O 9649 C CB . TYR F 116 ? 0.19022 0.28839 0.22626 0.02539 -0.03074 -0.03411 115 TYR B CB 9650 C CG . TYR F 116 ? 0.17162 0.27229 0.21057 0.01892 -0.02437 -0.04522 115 TYR B CG 9651 C CD1 . TYR F 116 ? 0.18372 0.30684 0.19937 0.03577 -0.03555 -0.03480 115 TYR B CD1 9652 C CD2 . TYR F 116 ? 0.18541 0.26346 0.22599 0.02385 -0.00124 -0.04161 115 TYR B CD2 9653 C CE1 . TYR F 116 ? 0.18973 0.31913 0.20773 0.03055 -0.01504 -0.02354 115 TYR B CE1 9654 C CE2 . TYR F 116 ? 0.19174 0.28103 0.22700 0.01396 -0.00770 -0.05639 115 TYR B CE2 9655 C CZ . TYR F 116 ? 0.20169 0.32634 0.21347 0.03214 -0.00716 -0.04079 115 TYR B CZ 9656 O OH . TYR F 116 ? 0.20389 0.37366 0.21425 0.03551 0.01501 -0.02594 115 TYR B OH 9666 N N . TYR F 117 ? 0.18464 0.28979 0.18182 0.02624 -0.01135 -0.03552 116 TYR B N 9667 C CA . TYR F 117 ? 0.18025 0.27541 0.19526 0.01793 0.01449 -0.02162 116 TYR B CA 9668 C C . TYR F 117 ? 0.19106 0.25781 0.18626 0.01421 0.00817 -0.02107 116 TYR B C 9669 O O . TYR F 117 ? 0.22303 0.27233 0.20872 0.00227 -0.01318 0.01066 116 TYR B O 9670 C CB . TYR F 117 ? 0.19086 0.29148 0.20407 0.03511 -0.00132 -0.03017 116 TYR B CB 9671 C CG . TYR F 117 ? 0.20540 0.30310 0.21025 0.04430 -0.00468 -0.03353 116 TYR B CG 9672 C CD1 . TYR F 117 ? 0.20937 0.32464 0.21449 0.04801 0.00429 -0.03791 116 TYR B CD1 9673 C CD2 . TYR F 117 ? 0.22272 0.31914 0.21272 0.06348 -0.01277 -0.01016 116 TYR B CD2 9674 C CE1 . TYR F 117 ? 0.22766 0.32053 0.19855 0.05087 0.00959 -0.02630 116 TYR B CE1 9675 C CE2 . TYR F 117 ? 0.23697 0.31259 0.21816 0.04540 0.00538 -0.00968 116 TYR B CE2 9676 C CZ . TYR F 117 ? 0.21858 0.33298 0.21015 0.04961 0.01234 -0.00206 116 TYR B CZ 9677 O OH . TYR F 117 ? 0.23725 0.39713 0.22725 0.03181 -0.00182 -0.00808 116 TYR B OH 9687 N N . TYR F 118 ? 0.19693 0.26664 0.18531 0.02005 0.02278 -0.03354 117 TYR B N 9688 C CA . TYR F 118 ? 0.22483 0.27754 0.16018 0.04494 0.00658 -0.01894 117 TYR B CA 9689 C C . TYR F 118 ? 0.20101 0.25291 0.15587 0.03419 -0.00568 -0.00250 117 TYR B C 9690 O O . TYR F 118 ? 0.19949 0.27133 0.16420 0.03266 -0.01930 -0.01671 117 TYR B O 9691 C CB . TYR F 118 ? 0.23632 0.28869 0.16998 0.07171 -0.00501 -0.01542 117 TYR B CB 9692 C CG . TYR F 118 ? 0.23680 0.33264 0.15321 0.03510 -0.00679 0.02324 117 TYR B CG 9693 C CD1 . TYR F 118 ? 0.24599 0.38113 0.15540 0.02535 0.00397 0.01902 117 TYR B CD1 9694 C CD2 . TYR F 118 ? 0.26083 0.34678 0.15923 0.01672 -0.02000 0.01757 117 TYR B CD2 9695 C CE1 . TYR F 118 ? 0.23082 0.41624 0.17953 0.00475 -0.02492 0.01738 117 TYR B CE1 9696 C CE2 . TYR F 118 ? 0.26804 0.36972 0.18183 -0.00589 -0.03323 0.03804 117 TYR B CE2 9697 C CZ . TYR F 118 ? 0.24668 0.42973 0.19486 -0.02263 -0.04049 0.02344 117 TYR B CZ 9698 O OH . TYR F 118 ? 0.31701 0.50534 0.24281 -0.02204 -0.04463 0.01488 117 TYR B OH 9708 N N . MET F 119 ? 0.18890 0.24676 0.17941 0.03689 -0.01827 -0.01229 118 MET B N 9709 C CA . MET F 119 ? 0.16730 0.25320 0.19311 0.03726 -0.02082 -0.01761 118 MET B CA 9710 C C . MET F 119 ? 0.18070 0.27361 0.19178 0.02915 -0.02747 0.00238 118 MET B C 9711 O O . MET F 119 ? 0.18507 0.26296 0.17380 0.02555 -0.02625 0.01687 118 MET B O 9712 C CB . MET F 119 ? 0.18304 0.28368 0.20539 0.03220 -0.01008 -0.03948 118 MET B CB 9713 C CG . MET F 119 ? 0.21442 0.31832 0.24313 0.01957 0.00743 -0.01550 118 MET B CG 9714 S SD . MET F 119 ? 0.23194 0.34083 0.26105 -0.00256 0.02667 -0.01463 118 MET B SD 9715 C CE . MET F 119 ? 0.25919 0.34211 0.26102 -0.04431 0.01991 -0.05093 118 MET B CE 9725 N N . ASP F 120 ? 0.19280 0.25522 0.19007 0.00868 0.00219 0.01616 119 ASP B N 9726 C CA . ASP F 120 ? 0.21892 0.26087 0.20322 0.02380 -0.03126 0.01979 119 ASP B CA 9727 C C . ASP F 120 ? 0.26876 0.30136 0.22726 0.03133 -0.05230 0.03666 119 ASP B C 9728 O O . ASP F 120 ? 0.37431 0.31562 0.26910 0.03856 -0.04413 0.05961 119 ASP B O 9729 C CB . ASP F 120 ? 0.21879 0.26813 0.18001 -0.00058 -0.02198 0.01452 119 ASP B CB 9730 C CG . ASP F 120 ? 0.20648 0.26730 0.20298 -0.01654 -0.01858 0.01671 119 ASP B CG 9731 O OD1 . ASP F 120 ? 0.21542 0.25948 0.18516 0.00357 -0.01066 0.03078 119 ASP B OD1 9732 O OD2 . ASP F 120 ? 0.21208 0.26480 0.22532 -0.01408 -0.00810 0.03039 119 ASP B OD2 9737 N N . VAL F 121 ? 0.22053 0.27820 0.19054 0.00131 -0.02073 0.03468 120 VAL B N 9738 C CA . VAL F 121 ? 0.21046 0.24802 0.18394 -0.01288 -0.01227 -0.00162 120 VAL B CA 9739 C C . VAL F 121 ? 0.20801 0.24352 0.18644 0.00176 -0.00770 0.00904 120 VAL B C 9740 O O . VAL F 121 ? 0.23337 0.25165 0.22039 0.03253 0.03028 0.00939 120 VAL B O 9741 C CB . VAL F 121 ? 0.23388 0.25839 0.21002 0.00545 -0.00669 -0.01951 120 VAL B CB 9742 C CG1 . VAL F 121 ? 0.28145 0.25937 0.20456 -0.00454 -0.02003 -0.00438 120 VAL B CG1 9743 C CG2 . VAL F 121 ? 0.21672 0.29670 0.26855 0.00565 -0.02454 -0.04313 120 VAL B CG2 9753 N N . TRP F 122 ? 0.20665 0.24570 0.18720 0.01912 -0.00872 0.01128 121 TRP B N 9754 C CA . TRP F 122 ? 0.21135 0.23100 0.20012 0.01989 -0.01054 0.01828 121 TRP B CA 9755 C C . TRP F 122 ? 0.20144 0.20438 0.21863 0.02694 -0.00549 0.03145 121 TRP B C 9756 O O . TRP F 122 ? 0.21621 0.20143 0.21010 0.00631 0.00459 0.01737 121 TRP B O 9757 C CB . TRP F 122 ? 0.21610 0.22967 0.17960 0.03280 -0.02503 0.02980 121 TRP B CB 9758 C CG . TRP F 122 ? 0.20577 0.25273 0.16180 0.00935 0.00223 0.00839 121 TRP B CG 9759 C CD1 . TRP F 122 ? 0.21492 0.25235 0.17118 0.00309 0.00245 -0.00834 121 TRP B CD1 9760 C CD2 . TRP F 122 ? 0.19267 0.26176 0.16651 0.00784 -0.00406 -0.01273 121 TRP B CD2 9761 N NE1 . TRP F 122 ? 0.20920 0.26679 0.19229 -0.00807 -0.01564 0.00863 121 TRP B NE1 9762 C CE2 . TRP F 122 ? 0.20630 0.26422 0.20570 0.01671 0.00403 0.01117 121 TRP B CE2 9763 C CE3 . TRP F 122 ? 0.19377 0.27751 0.17878 0.02169 -0.00298 0.00639 121 TRP B CE3 9764 C CZ2 . TRP F 122 ? 0.21546 0.24488 0.20964 0.02410 -0.00309 0.01530 121 TRP B CZ2 9765 C CZ3 . TRP F 122 ? 0.17815 0.28668 0.19184 0.01345 0.00342 0.01629 121 TRP B CZ3 9766 C CH2 . TRP F 122 ? 0.20276 0.25766 0.19209 0.02061 0.01156 0.01736 121 TRP B CH2 9777 N N . GLY F 123 ? 0.21188 0.23310 0.20712 0.01726 0.00742 0.00989 122 GLY B N 9778 C CA . GLY F 123 ? 0.20427 0.24783 0.21046 0.01417 0.00244 0.01412 122 GLY B CA 9779 C C . GLY F 123 ? 0.21735 0.23726 0.21417 0.00727 -0.01292 0.01018 122 GLY B C 9780 O O . GLY F 123 ? 0.19707 0.25160 0.22896 0.02048 -0.02310 0.01850 122 GLY B O 9784 N N . GLN F 124 ? 0.21856 0.23210 0.23217 0.02348 -0.00393 0.01086 123 GLN B N 9785 C CA . GLN F 124 ? 0.23394 0.23367 0.23203 0.03230 -0.00059 0.02167 123 GLN B CA 9786 C C . GLN F 124 ? 0.25682 0.23055 0.23871 0.05365 -0.01231 0.04282 123 GLN B C 9787 O O . GLN F 124 ? 0.27161 0.23484 0.26098 0.04197 -0.02006 0.04046 123 GLN B O 9788 C CB . GLN F 124 ? 0.26042 0.22680 0.22763 0.01734 0.01407 0.02361 123 GLN B CB 9789 C CG . GLN F 124 ? 0.26178 0.21468 0.20956 -0.00021 0.01376 -0.00807 123 GLN B CG 9790 C CD . GLN F 124 ? 0.28529 0.24094 0.22244 0.01744 0.01524 -0.02529 123 GLN B CD 9791 O OE1 . GLN F 124 ? 0.27634 0.27692 0.23316 0.03365 0.00606 -0.02634 123 GLN B OE1 9792 N NE2 . GLN F 124 ? 0.34432 0.27030 0.24834 0.01592 -0.00141 -0.00391 123 GLN B NE2 9801 N N . GLY F 125 ? 0.24282 0.20037 0.22187 0.02650 -0.01324 0.02493 124 GLY B N 9802 C CA . GLY F 125 ? 0.22998 0.20985 0.22503 -0.01558 0.01629 0.03217 124 GLY B CA 9803 C C . GLY F 125 ? 0.22363 0.21493 0.23165 0.00616 0.00660 0.00400 124 GLY B C 9804 O O . GLY F 125 ? 0.24653 0.21843 0.24777 0.01250 0.00425 0.00044 124 GLY B O 9808 N N . THR F 126 ? 0.22321 0.25315 0.22017 0.01239 0.01091 -0.00683 125 THR B N 9809 C CA . THR F 126 ? 0.21064 0.25706 0.21905 0.03092 0.02575 0.00824 125 THR B CA 9810 C C . THR F 126 ? 0.20773 0.22894 0.23246 0.01386 0.02552 0.00734 125 THR B C 9811 O O . THR F 126 ? 0.22614 0.21952 0.22158 0.02617 0.00672 -0.01377 125 THR B O 9812 C CB . THR F 126 ? 0.21436 0.29796 0.20754 0.03220 0.03278 0.00660 125 THR B CB 9813 O OG1 . THR F 126 ? 0.20011 0.30246 0.21327 0.04134 0.02087 0.00448 125 THR B OG1 9814 C CG2 . THR F 126 ? 0.24408 0.31122 0.21954 0.03158 0.03187 0.01286 125 THR B CG2 9822 N N . LEU F 127 ? 0.19974 0.25210 0.23025 0.01998 0.01098 0.00006 126 LEU B N 9823 C CA . LEU F 127 ? 0.20434 0.24947 0.21098 0.02416 0.01254 0.01484 126 LEU B CA 9824 C C . LEU F 127 ? 0.22072 0.26665 0.19452 0.02431 0.00330 -0.01284 126 LEU B C 9825 O O . LEU F 127 ? 0.26364 0.27627 0.22446 0.01925 0.02346 -0.03007 126 LEU B O 9826 C CB . LEU F 127 ? 0.21958 0.25042 0.24658 0.05557 0.00305 0.02394 126 LEU B CB 9827 C CG . LEU F 127 ? 0.22967 0.27178 0.27218 0.06641 0.00984 0.03553 126 LEU B CG 9828 C CD1 . LEU F 127 ? 0.22719 0.32237 0.29583 0.05261 0.02818 0.05447 126 LEU B CD1 9829 C CD2 . LEU F 127 ? 0.24475 0.31781 0.31087 0.05832 0.02258 0.02150 126 LEU B CD2 9841 N N . VAL F 128 ? 0.20086 0.28890 0.17785 0.04660 -0.00337 0.00776 127 VAL B N 9842 C CA . VAL F 128 ? 0.19196 0.30146 0.17103 0.02374 0.00863 -0.00316 127 VAL B CA 9843 C C . VAL F 128 ? 0.18839 0.31626 0.17115 0.02148 0.01171 -0.00766 127 VAL B C 9844 O O . VAL F 128 ? 0.19240 0.28876 0.17621 0.01058 0.02457 -0.02783 127 VAL B O 9845 C CB . VAL F 128 ? 0.21464 0.31193 0.18417 -0.00726 -0.00881 0.00369 127 VAL B CB 9846 C CG1 . VAL F 128 ? 0.22518 0.31355 0.21491 -0.01437 -0.01434 0.03509 127 VAL B CG1 9847 C CG2 . VAL F 128 ? 0.23484 0.33494 0.19118 -0.01171 0.01748 0.00425 127 VAL B CG2 9857 N N . THR F 129 ? 0.18062 0.32087 0.18389 0.01224 0.02339 -0.01192 128 THR B N 9858 C CA . THR F 129 ? 0.17050 0.32678 0.18199 0.01560 0.01973 -0.00014 128 THR B CA 9859 C C . THR F 129 ? 0.16738 0.31289 0.18483 0.02165 0.00213 -0.02075 128 THR B C 9860 O O . THR F 129 ? 0.22128 0.33736 0.18963 0.00179 0.00421 -0.02679 128 THR B O 9861 C CB . THR F 129 ? 0.19473 0.34077 0.21871 0.01315 0.00877 0.02887 128 THR B CB 9862 O OG1 . THR F 129 ? 0.23274 0.35545 0.22434 0.03110 0.01178 0.02246 128 THR B OG1 9863 C CG2 . THR F 129 ? 0.23193 0.33658 0.26526 0.00986 0.03915 0.04866 128 THR B CG2 9871 N N . VAL F 130 ? 0.17991 0.31088 0.18189 0.02095 0.00885 -0.00174 129 VAL B N 9872 C CA . VAL F 130 ? 0.20139 0.32129 0.18468 0.01596 -0.01576 -0.00639 129 VAL B CA 9873 C C . VAL F 130 ? 0.21125 0.32777 0.16789 0.02836 -0.01771 -0.01764 129 VAL B C 9874 O O . VAL F 130 ? 0.21564 0.32973 0.17001 0.01088 -0.02192 -0.01798 129 VAL B O 9875 C CB . VAL F 130 ? 0.20473 0.28636 0.18536 0.01977 -0.00834 -0.00843 129 VAL B CB 9876 C CG1 . VAL F 130 ? 0.22378 0.28128 0.22189 -0.00946 -0.02203 0.00361 129 VAL B CG1 9877 C CG2 . VAL F 130 ? 0.20507 0.28881 0.21316 0.03309 -0.01873 -0.02215 129 VAL B CG2 9887 N N . SER F 131 ? 0.19417 0.32374 0.16638 0.04354 -0.01082 -0.01377 130 SER B N 9888 C CA . SER F 131 ? 0.19894 0.33441 0.19252 0.04083 -0.01716 -0.03571 130 SER B CA 9889 C C . SER F 131 ? 0.18955 0.36579 0.21298 0.03536 -0.00301 -0.01772 130 SER B C 9890 O O . SER F 131 ? 0.21544 0.37735 0.26439 0.03023 0.01914 -0.00088 130 SER B O 9891 C CB . SER F 131 ? 0.21882 0.32450 0.23215 0.02848 -0.03477 -0.02321 130 SER B CB 9892 O OG . SER F 131 ? 0.22488 0.34496 0.22060 0.04417 -0.01753 -0.02889 130 SER B OG 9898 N N . SER F 132 ? 0.19432 0.36654 0.21137 0.01816 0.00021 -0.03137 131 SER B N 9899 C CA . SER F 132 ? 0.21462 0.37179 0.23578 -0.02222 0.00244 -0.03221 131 SER B CA 9900 C C . SER F 132 ? 0.25285 0.41997 0.29248 -0.04366 0.01742 -0.03299 131 SER B C 9901 O O . SER F 132 ? 0.27043 0.42071 0.25946 -0.03910 0.01815 -0.03674 131 SER B O 9902 C CB . SER F 132 ? 0.21773 0.38932 0.25856 -0.00926 0.00889 -0.03552 131 SER B CB 9903 O OG . SER F 132 ? 0.22548 0.40503 0.29555 0.01338 0.01312 -0.00347 131 SER B OG 9909 N N . GLY F 133 ? 0.27761 0.44938 0.36651 -0.05035 0.01739 -0.02074 132 GLY B N 9910 C CA . GLY F 133 ? 0.36064 0.52219 0.45032 -0.05307 0.03592 0.00757 132 GLY B CA 9911 C C . GLY F 133 ? 0.43373 0.61214 0.54454 -0.03489 0.02473 0.02421 132 GLY B C 9912 O O . GLY F 133 ? 0.35312 0.57905 0.51599 -0.05040 -0.00923 0.00929 132 GLY B O 9916 N N . GLY F 134 ? 0.56257 0.74275 0.67986 0.00152 0.05303 0.04074 133 GLY B N 9917 C CA . GLY F 134 ? 0.67359 0.85704 0.80775 0.00765 0.05727 0.04947 133 GLY B CA 9918 C C . GLY F 134 ? 0.70832 0.87896 0.82409 0.00274 0.05898 0.05810 133 GLY B C 9919 O O . GLY F 134 ? 0.70421 0.88256 0.87048 -0.00528 0.06040 0.06736 133 GLY B O # If you find results from this site helpful for your research, please cite one of our papers:
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