# By using this file you agree to the legally binding terms of use found at # https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. # To request access to the AlphaFold 3 model parameters, follow the process set # out at https://github.com/google-deepmind/alphafold3. You may only use these if # received directly from Google. Use is subject to terms of use available at # https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. data_aca13 # _entry.id aca13 # loop_ _atom_type.symbol C N O S # loop_ _audit_author.name _audit_author.pdbx_ordinal "Google DeepMind" 1 "Isomorphic Labs" 2 # _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 # loop_ _chem_comp.formula _chem_comp.formula_weight _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_smiles _chem_comp.pdbx_synonyms _chem_comp.type "C3 H7 N O2" 89.093 ALA y ALANINE C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ? "L-PEPTIDE LINKING" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)N ? "L-PEPTIDE LINKING" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-PEPTIDE LINKING" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" # _citation.book_publisher ? _citation.country UK _citation.id primary _citation.journal_full Nature _citation.journal_id_ASTM NATUAS _citation.journal_id_CSD 0006 _citation.journal_id_ISSN 0028-0836 _citation.journal_volume 630 _citation.page_first 493 _citation.page_last 500 _citation.pdbx_database_id_DOI 10.1038/s41586-024-07487-w _citation.pdbx_database_id_PubMed 38718835 _citation.title "Accurate structure prediction of biomolecular interactions with AlphaFold 3" _citation.year 2024 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary "Google DeepMind" 1 primary "Isomorphic Labs" 2 # _entity.id 1 _entity.pdbx_description . _entity.type polymer # _entity_poly.entity_id 1 _entity_poly.pdbx_strand_id A _entity_poly.type polypeptide(L) # loop_ _entity_poly_seq.entity_id _entity_poly_seq.hetero _entity_poly_seq.mon_id _entity_poly_seq.num 1 n MET 1 1 n THR 2 1 n ASP 3 1 n GLU 4 1 n LEU 5 1 n THR 6 1 n ALA 7 1 n ARG 8 1 n GLN 9 1 n ARG 10 1 n ALA 11 1 n ASP 12 1 n LYS 13 1 n LYS 14 1 n TRP 15 1 n ASN 16 1 n GLU 17 1 n LYS 18 1 n ASN 19 1 n ARG 20 1 n GLU 21 1 n HIS 22 1 n ARG 23 1 n ASN 24 1 n TYR 25 1 n MET 26 1 n THR 27 1 n LYS 28 1 n ARG 29 1 n SER 30 1 n THR 31 1 n ALA 32 1 n ARG 33 1 n GLY 34 1 n PHE 35 1 n ILE 36 1 n ARG 37 1 n ASN 38 1 n HIS 39 1 n ALA 40 1 n THR 41 1 n LYS 42 1 n GLU 43 1 n ASP 44 1 n LEU 45 1 n LEU 46 1 n GLU 47 1 n LEU 48 1 n GLN 49 1 n LYS 50 1 n LEU 51 1 n ILE 52 1 n GLN 53 1 n GLU 54 1 n ASN 55 1 n LEU 56 1 n LYS 57 1 n LYS 58 1 n PHE 59 # _ma_data.content_type "model coordinates" _ma_data.id 1 _ma_data.name Model # _ma_model_list.data_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_group_name "AlphaFold-beta-20231127 (3.0.1 @ 2025-04-06 19:31:42)" _ma_model_list.model_id 1 _ma_model_list.model_name "Top ranked model" _ma_model_list.model_type "Ab initio model" _ma_model_list.ordinal_id 1 # loop_ _ma_protocol_step.method_type _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id "coevolution MSA" 1 1 1 "template search" 2 1 2 modeling 3 1 3 # loop_ _ma_qa_metric.id _ma_qa_metric.mode _ma_qa_metric.name _ma_qa_metric.software_group_id _ma_qa_metric.type 1 global pLDDT 1 pLDDT 2 local pLDDT 1 pLDDT # _ma_qa_metric_global.metric_id 1 _ma_qa_metric_global.metric_value 87.36 _ma_qa_metric_global.model_id 1 _ma_qa_metric_global.ordinal_id 1 # loop_ _ma_qa_metric_local.label_asym_id _ma_qa_metric_local.label_comp_id _ma_qa_metric_local.label_seq_id _ma_qa_metric_local.metric_id _ma_qa_metric_local.metric_value _ma_qa_metric_local.model_id _ma_qa_metric_local.ordinal_id A MET 1 2 63.52 1 1 A THR 2 2 72.85 1 2 A ASP 3 2 72.81 1 3 A GLU 4 2 74.10 1 4 A LEU 5 2 81.60 1 5 A THR 6 2 85.66 1 6 A ALA 7 2 89.96 1 7 A ARG 8 2 79.81 1 8 A GLN 9 2 84.63 1 9 A ARG 10 2 78.53 1 10 A ALA 11 2 86.94 1 11 A ASP 12 2 80.10 1 12 A LYS 13 2 79.28 1 13 A LYS 14 2 75.21 1 14 A TRP 15 2 73.32 1 15 A ASN 16 2 76.10 1 16 A GLU 17 2 75.90 1 17 A LYS 18 2 72.61 1 18 A ASN 19 2 80.02 1 19 A ARG 20 2 74.22 1 20 A GLU 21 2 80.55 1 21 A HIS 22 2 86.88 1 22 A ARG 23 2 75.75 1 23 A ASN 24 2 88.00 1 24 A TYR 25 2 93.84 1 25 A MET 26 2 90.14 1 26 A THR 27 2 93.80 1 27 A LYS 28 2 93.12 1 28 A ARG 29 2 89.62 1 29 A SER 30 2 95.33 1 30 A THR 31 2 96.93 1 31 A ALA 32 2 98.09 1 32 A ARG 33 2 90.03 1 33 A GLY 34 2 98.53 1 34 A PHE 35 2 97.75 1 35 A ILE 36 2 97.90 1 36 A ARG 37 2 91.02 1 37 A ASN 38 2 95.44 1 38 A HIS 39 2 94.68 1 39 A ALA 40 2 98.09 1 40 A THR 41 2 97.76 1 41 A LYS 42 2 95.88 1 42 A GLU 43 2 89.90 1 43 A ASP 44 2 97.44 1 44 A LEU 45 2 98.01 1 45 A LEU 46 2 97.49 1 46 A GLU 47 2 91.88 1 47 A LEU 48 2 97.03 1 48 A GLN 49 2 94.26 1 49 A LYS 50 2 92.40 1 50 A LEU 51 2 95.79 1 51 A ILE 52 2 96.90 1 52 A GLN 53 2 92.84 1 53 A GLU 54 2 88.78 1 54 A ASN 55 2 90.98 1 55 A LEU 56 2 95.86 1 56 A LYS 57 2 92.74 1 57 A LYS 58 2 89.87 1 58 A PHE 59 2 89.12 1 59 # _ma_software_group.group_id 1 _ma_software_group.ordinal_id 1 _ma_software_group.software_id 1 # _ma_target_entity.data_id 1 _ma_target_entity.entity_id 1 _ma_target_entity.origin . # _ma_target_entity_instance.asym_id A _ma_target_entity_instance.details . _ma_target_entity_instance.entity_id 1 # loop_ _pdbx_data_usage.details _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.url ;Non-commercial use only, by using this file you agree to the terms of use found at https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. To request access to the AlphaFold 3 model parameters, follow the process set out at https://github.com/google-deepmind/alphafold3. You may only use these if received directly from Google. Use is subject to terms of use available at https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. ; 1 license https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md ;AlphaFold 3 and its output are not intended for, have not been validated for, and are not approved for clinical use. They are provided "as-is" without any warranty of any kind, whether expressed or implied. No warranty is given that use shall not infringe the rights of any third party. ; 2 disclaimer ? # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.hetero _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.seq_id A 1 1 n MET . 1 A 1 A 2 1 n THR . 2 A 2 A 3 1 n ASP . 3 A 3 A 4 1 n GLU . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n THR . 6 A 6 A 7 1 n ALA . 7 A 7 A 8 1 n ARG . 8 A 8 A 9 1 n GLN . 9 A 9 A 10 1 n ARG . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n ASP . 12 A 12 A 13 1 n LYS . 13 A 13 A 14 1 n LYS . 14 A 14 A 15 1 n TRP . 15 A 15 A 16 1 n ASN . 16 A 16 A 17 1 n GLU . 17 A 17 A 18 1 n LYS . 18 A 18 A 19 1 n ASN . 19 A 19 A 20 1 n ARG . 20 A 20 A 21 1 n GLU . 21 A 21 A 22 1 n HIS . 22 A 22 A 23 1 n ARG . 23 A 23 A 24 1 n ASN . 24 A 24 A 25 1 n TYR . 25 A 25 A 26 1 n MET . 26 A 26 A 27 1 n THR . 27 A 27 A 28 1 n LYS . 28 A 28 A 29 1 n ARG . 29 A 29 A 30 1 n SER . 30 A 30 A 31 1 n THR . 31 A 31 A 32 1 n ALA . 32 A 32 A 33 1 n ARG . 33 A 33 A 34 1 n GLY . 34 A 34 A 35 1 n PHE . 35 A 35 A 36 1 n ILE . 36 A 36 A 37 1 n ARG . 37 A 37 A 38 1 n ASN . 38 A 38 A 39 1 n HIS . 39 A 39 A 40 1 n ALA . 40 A 40 A 41 1 n THR . 41 A 41 A 42 1 n LYS . 42 A 42 A 43 1 n GLU . 43 A 43 A 44 1 n ASP . 44 A 44 A 45 1 n LEU . 45 A 45 A 46 1 n LEU . 46 A 46 A 47 1 n GLU . 47 A 47 A 48 1 n LEU . 48 A 48 A 49 1 n GLN . 49 A 49 A 50 1 n LYS . 50 A 50 A 51 1 n LEU . 51 A 51 A 52 1 n ILE . 52 A 52 A 53 1 n GLN . 53 A 53 A 54 1 n GLU . 54 A 54 A 55 1 n ASN . 55 A 55 A 56 1 n LEU . 56 A 56 A 57 1 n LYS . 57 A 57 A 58 1 n LYS . 58 A 58 A 59 1 n PHE . 59 A 59 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (fa08f1a239cfd4fd49a5c37bef32bd41139da97e359ba389d3209450484ef018)" # _struct_asym.entity_id 1 _struct_asym.id A # 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.auth_seq_id _atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . MET A 1 1 ? 4.493 19.078 29.850 1.00 65.60 1 A 1 ATOM 2 C CA . MET A 1 1 ? 5.039 19.975 28.810 1.00 72.26 1 A 1 ATOM 3 C C . MET A 1 1 ? 4.288 19.672 27.526 1.00 72.15 1 A 1 ATOM 4 O O . MET A 1 1 ? 4.393 18.563 27.026 1.00 69.84 1 A 1 ATOM 5 C CB . MET A 1 1 ? 6.551 19.763 28.620 1.00 67.65 1 A 1 ATOM 6 C CG . MET A 1 1 ? 7.351 20.114 29.881 1.00 59.05 1 A 1 ATOM 7 S SD . MET A 1 1 ? 9.139 19.950 29.654 1.00 54.40 1 A 1 ATOM 8 C CE . MET A 1 1 ? 9.704 20.009 31.365 1.00 47.24 1 A 1 ATOM 9 N N . THR A 1 2 ? 3.430 20.577 27.076 1.00 76.52 2 A 1 ATOM 10 C CA . THR A 1 2 ? 2.721 20.446 25.796 1.00 77.48 2 A 1 ATOM 11 C C . THR A 1 2 ? 3.689 20.881 24.701 1.00 77.17 2 A 1 ATOM 12 O O . THR A 1 2 ? 3.932 22.071 24.543 1.00 72.58 2 A 1 ATOM 13 C CB . THR A 1 2 ? 1.455 21.314 25.781 1.00 72.91 2 A 1 ATOM 14 O OG1 . THR A 1 2 ? 1.727 22.575 26.353 1.00 66.50 2 A 1 ATOM 15 C CG2 . THR A 1 2 ? 0.329 20.680 26.604 1.00 66.78 2 A 1 ATOM 16 N N . ASP A 1 3 ? 4.268 19.931 23.981 1.00 81.67 3 A 1 ATOM 17 C CA . ASP A 1 3 ? 5.078 20.221 22.796 1.00 81.36 3 A 1 ATOM 18 C C . ASP A 1 3 ? 4.185 20.887 21.743 1.00 81.12 3 A 1 ATOM 19 O O . ASP A 1 3 ? 3.435 20.231 21.008 1.00 76.64 3 A 1 ATOM 20 C CB . ASP A 1 3 ? 5.730 18.938 22.243 1.00 75.35 3 A 1 ATOM 21 C CG . ASP A 1 3 ? 7.047 18.553 22.920 1.00 65.38 3 A 1 ATOM 22 O OD1 . ASP A 1 3 ? 7.780 19.478 23.338 1.00 61.26 3 A 1 ATOM 23 O OD2 . ASP A 1 3 ? 7.322 17.335 22.981 1.00 59.72 3 A 1 ATOM 24 N N . GLU A 1 4 ? 4.208 22.220 21.688 1.00 84.72 4 A 1 ATOM 25 C CA . GLU A 1 4 ? 3.579 22.952 20.598 1.00 85.03 4 A 1 ATOM 26 C C . GLU A 1 4 ? 4.294 22.596 19.291 1.00 85.40 4 A 1 ATOM 27 O O . GLU A 1 4 ? 5.460 22.926 19.063 1.00 81.25 4 A 1 ATOM 28 C CB . GLU A 1 4 ? 3.581 24.468 20.826 1.00 79.86 4 A 1 ATOM 29 C CG . GLU A 1 4 ? 2.501 24.926 21.821 1.00 67.66 4 A 1 ATOM 30 C CD . GLU A 1 4 ? 2.215 26.432 21.706 1.00 63.88 4 A 1 ATOM 31 O OE1 . GLU A 1 4 ? 1.065 26.819 22.007 1.00 59.30 4 A 1 ATOM 32 O OE2 . GLU A 1 4 ? 3.109 27.178 21.244 1.00 59.80 4 A 1 ATOM 33 N N . LEU A 1 5 ? 3.570 21.921 18.401 1.00 85.75 5 A 1 ATOM 34 C CA . LEU A 1 5 ? 4.067 21.590 17.070 1.00 85.77 5 A 1 ATOM 35 C C . LEU A 1 5 ? 4.512 22.870 16.349 1.00 86.93 5 A 1 ATOM 36 O O . LEU A 1 5 ? 3.735 23.819 16.195 1.00 84.36 5 A 1 ATOM 37 C CB . LEU A 1 5 ? 2.975 20.873 16.259 1.00 82.73 5 A 1 ATOM 38 C CG . LEU A 1 5 ? 2.526 19.509 16.810 1.00 77.78 5 A 1 ATOM 39 C CD1 . LEU A 1 5 ? 1.336 19.007 15.980 1.00 74.64 5 A 1 ATOM 40 C CD2 . LEU A 1 5 ? 3.627 18.455 16.741 1.00 74.86 5 A 1 ATOM 41 N N . THR A 1 6 ? 5.731 22.852 15.828 1.00 88.01 6 A 1 ATOM 42 C CA . THR A 1 6 ? 6.262 23.928 14.981 1.00 88.11 6 A 1 ATOM 43 C C . THR A 1 6 ? 5.346 24.181 13.776 1.00 89.34 6 A 1 ATOM 44 O O . THR A 1 6 ? 4.587 23.304 13.344 1.00 88.09 6 A 1 ATOM 45 C CB . THR A 1 6 ? 7.690 23.621 14.500 1.00 85.99 6 A 1 ATOM 46 O OG1 . THR A 1 6 ? 7.685 22.460 13.704 1.00 80.43 6 A 1 ATOM 47 C CG2 . THR A 1 6 ? 8.686 23.412 15.640 1.00 79.64 6 A 1 ATOM 48 N N . ALA A 1 7 ? 5.413 25.375 13.179 1.00 90.82 7 A 1 ATOM 49 C CA . ALA A 1 7 ? 4.617 25.707 11.990 1.00 90.65 7 A 1 ATOM 50 C C . ALA A 1 7 ? 4.786 24.671 10.859 1.00 90.24 7 A 1 ATOM 51 O O . ALA A 1 7 ? 3.810 24.289 10.210 1.00 88.28 7 A 1 ATOM 52 C CB . ALA A 1 7 ? 5.011 27.112 11.526 1.00 89.80 7 A 1 ATOM 53 N N . ARG A 1 8 ? 6.004 24.151 10.697 1.00 93.26 8 A 1 ATOM 54 C CA . ARG A 1 8 ? 6.329 23.080 9.746 1.00 92.47 8 A 1 ATOM 55 C C . ARG A 1 8 ? 5.614 21.771 10.087 1.00 92.53 8 A 1 ATOM 56 O O . ARG A 1 8 ? 4.954 21.208 9.221 1.00 90.39 8 A 1 ATOM 57 C CB . ARG A 1 8 ? 7.854 22.915 9.688 1.00 91.19 8 A 1 ATOM 58 C CG . ARG A 1 8 ? 8.265 21.868 8.643 1.00 81.78 8 A 1 ATOM 59 C CD . ARG A 1 8 ? 9.792 21.801 8.537 1.00 78.22 8 A 1 ATOM 60 N NE . ARG A 1 8 ? 10.205 20.767 7.576 1.00 72.84 8 A 1 ATOM 61 C CZ . ARG A 1 8 ? 11.440 20.513 7.173 1.00 65.60 8 A 1 ATOM 62 N NH1 . ARG A 1 8 ? 12.466 21.193 7.620 1.00 61.62 8 A 1 ATOM 63 N NH2 . ARG A 1 8 ? 11.660 19.566 6.308 1.00 57.96 8 A 1 ATOM 64 N N . GLN A 1 9 ? 5.674 21.322 11.343 1.00 91.04 9 A 1 ATOM 65 C CA . GLN A 1 9 ? 5.004 20.088 11.779 1.00 89.96 9 A 1 ATOM 66 C C . GLN A 1 9 ? 3.477 20.172 11.631 1.00 90.88 9 A 1 ATOM 67 O O . GLN A 1 9 ? 2.838 19.188 11.252 1.00 89.44 9 A 1 ATOM 68 C CB . GLN A 1 9 ? 5.372 19.811 13.241 1.00 89.22 9 A 1 ATOM 69 C CG . GLN A 1 9 ? 6.814 19.301 13.416 1.00 84.88 9 A 1 ATOM 70 C CD . GLN A 1 9 ? 7.246 19.348 14.877 1.00 79.54 9 A 1 ATOM 71 O OE1 . GLN A 1 9 ? 6.954 20.292 15.586 1.00 75.75 9 A 1 ATOM 72 N NE2 . GLN A 1 9 ? 7.964 18.371 15.375 1.00 70.98 9 A 1 ATOM 73 N N . ARG A 1 10 ? 2.878 21.356 11.877 1.00 90.07 10 A 1 ATOM 74 C CA . ARG A 1 10 ? 1.442 21.585 11.638 1.00 88.71 10 A 1 ATOM 75 C C . ARG A 1 10 ? 1.089 21.518 10.150 1.00 89.75 10 A 1 ATOM 76 O O . ARG A 1 10 ? 0.092 20.895 9.795 1.00 88.49 10 A 1 ATOM 77 C CB . ARG A 1 10 ? 1.009 22.930 12.245 1.00 88.14 10 A 1 ATOM 78 C CG . ARG A 1 10 ? 0.970 22.872 13.787 1.00 81.79 10 A 1 ATOM 79 C CD . ARG A 1 10 ? 0.404 24.172 14.384 1.00 80.63 10 A 1 ATOM 80 N NE . ARG A 1 10 ? 1.395 25.266 14.384 1.00 72.86 10 A 1 ATOM 81 C CZ . ARG A 1 10 ? 1.136 26.568 14.416 1.00 65.83 10 A 1 ATOM 82 N NH1 . ARG A 1 10 ? -0.082 27.038 14.346 1.00 59.70 10 A 1 ATOM 83 N NH2 . ARG A 1 10 ? 2.104 27.430 14.534 1.00 57.81 10 A 1 ATOM 84 N N . ALA A 1 11 ? 1.905 22.123 9.289 1.00 89.23 11 A 1 ATOM 85 C CA . ALA A 1 11 ? 1.722 22.061 7.836 1.00 87.27 11 A 1 ATOM 86 C C . ALA A 1 11 ? 1.854 20.622 7.307 1.00 86.43 11 A 1 ATOM 87 O O . ALA A 1 11 ? 0.986 20.160 6.565 1.00 84.95 11 A 1 ATOM 88 C CB . ALA A 1 11 ? 2.722 23.013 7.169 1.00 86.80 11 A 1 ATOM 89 N N . ASP A 1 12 ? 2.870 19.885 7.776 1.00 85.79 12 A 1 ATOM 90 C CA . ASP A 1 12 ? 3.097 18.483 7.424 1.00 84.52 12 A 1 ATOM 91 C C . ASP A 1 12 ? 1.933 17.593 7.881 1.00 83.49 12 A 1 ATOM 92 O O . ASP A 1 12 ? 1.458 16.750 7.119 1.00 82.78 12 A 1 ATOM 93 C CB . ASP A 1 12 ? 4.420 17.983 8.043 1.00 83.38 12 A 1 ATOM 94 C CG . ASP A 1 12 ? 5.686 18.570 7.403 1.00 76.51 12 A 1 ATOM 95 O OD1 . ASP A 1 12 ? 5.606 19.037 6.247 1.00 71.34 12 A 1 ATOM 96 O OD2 . ASP A 1 12 ? 6.752 18.502 8.062 1.00 72.96 12 A 1 ATOM 97 N N . LYS A 1 13 ? 1.408 17.810 9.101 1.00 85.56 13 A 1 ATOM 98 C CA . LYS A 1 13 ? 0.233 17.084 9.608 1.00 84.86 13 A 1 ATOM 99 C C . LYS A 1 13 ? -0.998 17.324 8.730 1.00 84.60 13 A 1 ATOM 100 O O . LYS A 1 13 ? -1.630 16.361 8.302 1.00 83.08 13 A 1 ATOM 101 C CB . LYS A 1 13 ? -0.014 17.456 11.079 1.00 84.80 13 A 1 ATOM 102 C CG . LYS A 1 13 ? -1.115 16.594 11.714 1.00 77.78 13 A 1 ATOM 103 C CD . LYS A 1 13 ? -1.310 16.942 13.201 1.00 76.77 13 A 1 ATOM 104 C CE . LYS A 1 13 ? -2.431 16.081 13.798 1.00 72.18 13 A 1 ATOM 105 N NZ . LYS A 1 13 ? -2.684 16.401 15.227 1.00 63.85 13 A 1 ATOM 106 N N . LYS A 1 14 ? -1.288 18.590 8.402 1.00 84.34 14 A 1 ATOM 107 C CA . LYS A 1 14 ? -2.423 18.965 7.538 1.00 82.53 14 A 1 ATOM 108 C C . LYS A 1 14 ? -2.285 18.389 6.122 1.00 82.85 14 A 1 ATOM 109 O O . LYS A 1 14 ? -3.253 17.872 5.563 1.00 80.11 14 A 1 ATOM 110 C CB . LYS A 1 14 ? -2.538 20.498 7.523 1.00 81.93 14 A 1 ATOM 111 C CG . LYS A 1 14 ? -3.804 20.985 6.800 1.00 73.21 14 A 1 ATOM 112 C CD . LYS A 1 14 ? -3.917 22.513 6.890 1.00 70.69 14 A 1 ATOM 113 C CE . LYS A 1 14 ? -5.204 22.995 6.207 1.00 64.85 14 A 1 ATOM 114 N NZ . LYS A 1 14 ? -5.365 24.471 6.318 1.00 56.41 14 A 1 ATOM 115 N N . TRP A 1 15 ? -1.083 18.440 5.547 1.00 85.19 15 A 1 ATOM 116 C CA . TRP A 1 15 ? -0.818 17.841 4.239 1.00 82.95 15 A 1 ATOM 117 C C . TRP A 1 15 ? -0.986 16.320 4.274 1.00 83.33 15 A 1 ATOM 118 O O . TRP A 1 15 ? -1.629 15.745 3.397 1.00 80.74 15 A 1 ATOM 119 C CB . TRP A 1 15 ? 0.585 18.228 3.766 1.00 80.49 15 A 1 ATOM 120 C CG . TRP A 1 15 ? 0.905 17.759 2.377 1.00 74.65 15 A 1 ATOM 121 C CD1 . TRP A 1 15 ? 0.708 18.470 1.240 1.00 70.35 15 A 1 ATOM 122 C CD2 . TRP A 1 15 ? 1.453 16.471 1.948 1.00 72.46 15 A 1 ATOM 123 N NE1 . TRP A 1 15 ? 1.091 17.720 0.151 1.00 66.47 15 A 1 ATOM 124 C CE2 . TRP A 1 15 ? 1.557 16.477 0.527 1.00 68.64 15 A 1 ATOM 125 C CE3 . TRP A 1 15 ? 1.870 15.303 2.622 1.00 65.30 15 A 1 ATOM 126 C CZ2 . TRP A 1 15 ? 2.047 15.369 -0.198 1.00 67.23 15 A 1 ATOM 127 C CZ3 . TRP A 1 15 ? 2.362 14.184 1.901 1.00 64.94 15 A 1 ATOM 128 C CH2 . TRP A 1 15 ? 2.448 14.222 0.499 1.00 63.68 15 A 1 ATOM 129 N N . ASN A 1 16 ? -0.461 15.672 5.320 1.00 82.09 16 A 1 ATOM 130 C CA . ASN A 1 16 ? -0.562 14.228 5.516 1.00 80.13 16 A 1 ATOM 131 C C . ASN A 1 16 ? -2.006 13.747 5.661 1.00 80.90 16 A 1 ATOM 132 O O . ASN A 1 16 ? -2.335 12.679 5.147 1.00 80.33 16 A 1 ATOM 133 C CB . ASN A 1 16 ? 0.243 13.853 6.769 1.00 78.01 16 A 1 ATOM 134 C CG . ASN A 1 16 ? 1.723 13.685 6.489 1.00 72.26 16 A 1 ATOM 135 O OD1 . ASN A 1 16 ? 2.119 13.115 5.485 1.00 68.49 16 A 1 ATOM 136 N ND2 . ASN A 1 16 ? 2.583 14.052 7.408 1.00 66.60 16 A 1 ATOM 137 N N . GLU A 1 17 ? -2.840 14.514 6.348 1.00 83.20 17 A 1 ATOM 138 C CA . GLU A 1 17 ? -4.262 14.208 6.518 1.00 83.59 17 A 1 ATOM 139 C C . GLU A 1 17 ? -5.028 14.343 5.201 1.00 84.33 17 A 1 ATOM 140 O O . GLU A 1 17 ? -5.726 13.410 4.802 1.00 82.53 17 A 1 ATOM 141 C CB . GLU A 1 17 ? -4.805 15.117 7.624 1.00 81.95 17 A 1 ATOM 142 C CG . GLU A 1 17 ? -6.234 14.759 8.044 1.00 72.79 17 A 1 ATOM 143 C CD . GLU A 1 17 ? -6.624 15.459 9.356 1.00 67.97 17 A 1 ATOM 144 O OE1 . GLU A 1 17 ? -7.534 14.931 10.021 1.00 63.88 17 A 1 ATOM 145 O OE2 . GLU A 1 17 ? -5.970 16.474 9.708 1.00 62.87 17 A 1 ATOM 146 N N . LYS A 1 18 ? -4.786 15.437 4.468 1.00 82.20 18 A 1 ATOM 147 C CA . LYS A 1 18 ? -5.387 15.669 3.143 1.00 80.96 18 A 1 ATOM 148 C C . LYS A 1 18 ? -4.976 14.614 2.105 1.00 83.04 18 A 1 ATOM 149 O O . LYS A 1 18 ? -5.766 14.283 1.230 1.00 77.96 18 A 1 ATOM 150 C CB . LYS A 1 18 ? -5.025 17.091 2.677 1.00 78.47 18 A 1 ATOM 151 C CG . LYS A 1 18 ? -5.745 17.470 1.375 1.00 69.85 18 A 1 ATOM 152 C CD . LYS A 1 18 ? -5.437 18.908 0.944 1.00 67.42 18 A 1 ATOM 153 C CE . LYS A 1 18 ? -6.170 19.193 -0.372 1.00 60.74 18 A 1 ATOM 154 N NZ . LYS A 1 18 ? -5.904 20.563 -0.885 1.00 52.87 18 A 1 ATOM 155 N N . ASN A 1 19 ? -3.751 14.087 2.200 1.00 84.86 19 A 1 ATOM 156 C CA . ASN A 1 19 ? -3.202 13.125 1.232 1.00 85.58 19 A 1 ATOM 157 C C . ASN A 1 19 ? -3.137 11.690 1.779 1.00 87.99 19 A 1 ATOM 158 O O . ASN A 1 19 ? -2.335 10.878 1.316 1.00 86.10 19 A 1 ATOM 159 C CB . ASN A 1 19 ? -1.849 13.634 0.712 1.00 81.55 19 A 1 ATOM 160 C CG . ASN A 1 19 ? -1.987 14.949 -0.026 1.00 74.75 19 A 1 ATOM 161 O OD1 . ASN A 1 19 ? -2.365 15.011 -1.177 1.00 70.69 19 A 1 ATOM 162 N ND2 . ASN A 1 19 ? -1.714 16.052 0.629 1.00 68.60 19 A 1 ATOM 163 N N . ARG A 1 20 ? -3.948 11.366 2.785 1.00 88.77 20 A 1 ATOM 164 C CA . ARG A 1 20 ? -3.898 10.077 3.496 1.00 89.59 20 A 1 ATOM 165 C C . ARG A 1 20 ? -4.053 8.880 2.555 1.00 91.14 20 A 1 ATOM 166 O O . ARG A 1 20 ? -3.278 7.933 2.653 1.00 89.53 20 A 1 ATOM 167 C CB . ARG A 1 20 ? -4.972 10.068 4.601 1.00 85.73 20 A 1 ATOM 168 C CG . ARG A 1 20 ? -4.842 8.834 5.512 1.00 75.44 20 A 1 ATOM 169 C CD . ARG A 1 20 ? -5.859 8.862 6.662 1.00 72.24 20 A 1 ATOM 170 N NE . ARG A 1 20 ? -7.234 8.569 6.202 1.00 65.15 20 A 1 ATOM 171 C CZ . ARG A 1 20 ? -8.302 8.436 6.977 1.00 56.26 20 A 1 ATOM 172 N NH1 . ARG A 1 20 ? -8.240 8.575 8.277 1.00 53.82 20 A 1 ATOM 173 N NH2 . ARG A 1 20 ? -9.467 8.151 6.456 1.00 48.73 20 A 1 ATOM 174 N N . GLU A 1 21 ? -5.013 8.927 1.647 1.00 89.06 21 A 1 ATOM 175 C CA . GLU A 1 21 ? -5.257 7.827 0.701 1.00 89.65 21 A 1 ATOM 176 C C . GLU A 1 21 ? -4.070 7.606 -0.237 1.00 91.06 21 A 1 ATOM 177 O O . GLU A 1 21 ? -3.595 6.479 -0.386 1.00 89.98 21 A 1 ATOM 178 C CB . GLU A 1 21 ? -6.512 8.101 -0.125 1.00 87.89 21 A 1 ATOM 179 C CG . GLU A 1 21 ? -7.768 8.096 0.752 1.00 77.47 21 A 1 ATOM 180 C CD . GLU A 1 21 ? -9.050 8.182 -0.077 1.00 70.95 21 A 1 ATOM 181 O OE1 . GLU A 1 21 ? -10.101 7.858 0.510 1.00 64.54 21 A 1 ATOM 182 O OE2 . GLU A 1 21 ? -8.945 8.565 -1.263 1.00 64.38 21 A 1 ATOM 183 N N . HIS A 1 22 ? -3.526 8.694 -0.795 1.00 91.75 22 A 1 ATOM 184 C CA . HIS A 1 22 ? -2.351 8.625 -1.659 1.00 92.41 22 A 1 ATOM 185 C C . HIS A 1 22 ? -1.129 8.076 -0.908 1.00 93.10 22 A 1 ATOM 186 O O . HIS A 1 22 ? -0.438 7.191 -1.411 1.00 92.01 22 A 1 ATOM 187 C CB . HIS A 1 22 ? -2.065 10.014 -2.246 1.00 91.56 22 A 1 ATOM 188 C CG . HIS A 1 22 ? -0.907 9.977 -3.207 1.00 88.85 22 A 1 ATOM 189 N ND1 . HIS A 1 22 ? -0.912 9.393 -4.453 1.00 79.53 22 A 1 ATOM 190 C CD2 . HIS A 1 22 ? 0.360 10.453 -2.992 1.00 78.48 22 A 1 ATOM 191 C CE1 . HIS A 1 22 ? 0.321 9.523 -4.971 1.00 79.74 22 A 1 ATOM 192 N NE2 . HIS A 1 22 ? 1.136 10.160 -4.115 1.00 81.36 22 A 1 ATOM 193 N N . ARG A 1 23 ? -0.883 8.531 0.333 1.00 90.42 23 A 1 ATOM 194 C CA . ARG A 1 23 ? 0.183 7.983 1.188 1.00 90.51 23 A 1 ATOM 195 C C . ARG A 1 23 ? -0.016 6.494 1.449 1.00 92.57 23 A 1 ATOM 196 O O . ARG A 1 23 ? 0.936 5.731 1.288 1.00 92.25 23 A 1 ATOM 197 C CB . ARG A 1 23 ? 0.248 8.743 2.514 1.00 87.58 23 A 1 ATOM 198 C CG . ARG A 1 23 ? 0.978 10.085 2.370 1.00 74.97 23 A 1 ATOM 199 C CD . ARG A 1 23 ? 1.037 10.821 3.713 1.00 73.67 23 A 1 ATOM 200 N NE . ARG A 1 23 ? 1.578 9.960 4.794 1.00 66.20 23 A 1 ATOM 201 C CZ . ARG A 1 23 ? 1.107 9.850 6.021 1.00 58.65 23 A 1 ATOM 202 N NH1 . ARG A 1 23 ? 0.130 10.581 6.455 1.00 55.43 23 A 1 ATOM 203 N NH2 . ARG A 1 23 ? 1.611 8.982 6.844 1.00 51.00 23 A 1 ATOM 204 N N . ASN A 1 24 ? -1.232 6.085 1.816 1.00 91.17 24 A 1 ATOM 205 C CA . ASN A 1 24 ? -1.544 4.674 2.055 1.00 92.45 24 A 1 ATOM 206 C C . ASN A 1 24 ? -1.305 3.825 0.799 1.00 93.97 24 A 1 ATOM 207 O O . ASN A 1 24 ? -0.734 2.737 0.898 1.00 93.89 24 A 1 ATOM 208 C CB . ASN A 1 24 ? -3.004 4.545 2.525 1.00 91.35 24 A 1 ATOM 209 C CG . ASN A 1 24 ? -3.238 5.033 3.945 1.00 84.75 24 A 1 ATOM 210 O OD1 . ASN A 1 24 ? -2.333 5.303 4.715 1.00 78.62 24 A 1 ATOM 211 N ND2 . ASN A 1 24 ? -4.485 5.110 4.355 1.00 77.84 24 A 1 ATOM 212 N N . TYR A 1 25 ? -1.694 4.319 -0.371 1.00 92.73 25 A 1 ATOM 213 C CA . TYR A 1 25 ? -1.403 3.668 -1.647 1.00 94.13 25 A 1 ATOM 214 C C . TYR A 1 25 ? 0.108 3.523 -1.881 1.00 95.24 25 A 1 ATOM 215 O O . TYR A 1 25 ? 0.592 2.424 -2.158 1.00 95.22 25 A 1 ATOM 216 C CB . TYR A 1 25 ? -2.074 4.454 -2.782 1.00 94.17 25 A 1 ATOM 217 C CG . TYR A 1 25 ? -1.669 3.953 -4.154 1.00 94.82 25 A 1 ATOM 218 C CD1 . TYR A 1 25 ? -0.642 4.605 -4.872 1.00 92.66 25 A 1 ATOM 219 C CD2 . TYR A 1 25 ? -2.286 2.806 -4.690 1.00 93.19 25 A 1 ATOM 220 C CE1 . TYR A 1 25 ? -0.241 4.111 -6.127 1.00 93.03 25 A 1 ATOM 221 C CE2 . TYR A 1 25 ? -1.884 2.311 -5.944 1.00 93.31 25 A 1 ATOM 222 C CZ . TYR A 1 25 ? -0.863 2.964 -6.663 1.00 94.35 25 A 1 ATOM 223 O OH . TYR A 1 25 ? -0.473 2.486 -7.876 1.00 93.21 25 A 1 ATOM 224 N N . MET A 1 26 ? 0.880 4.605 -1.694 1.00 93.48 26 A 1 ATOM 225 C CA . MET A 1 26 ? 2.333 4.588 -1.878 1.00 94.31 26 A 1 ATOM 226 C C . MET A 1 26 ? 3.030 3.641 -0.892 1.00 95.71 26 A 1 ATOM 227 O O . MET A 1 26 ? 3.921 2.890 -1.300 1.00 96.08 26 A 1 ATOM 228 C CB . MET A 1 26 ? 2.892 6.013 -1.749 1.00 93.46 26 A 1 ATOM 229 C CG . MET A 1 26 ? 2.503 6.899 -2.940 1.00 89.60 26 A 1 ATOM 230 S SD . MET A 1 26 ? 3.069 6.315 -4.562 1.00 83.02 26 A 1 ATOM 231 C CE . MET A 1 26 ? 4.853 6.621 -4.418 1.00 75.48 26 A 1 ATOM 232 N N . THR A 1 27 ? 2.593 3.613 0.375 1.00 94.29 27 A 1 ATOM 233 C CA . THR A 1 27 ? 3.095 2.668 1.382 1.00 95.09 27 A 1 ATOM 234 C C . THR A 1 27 ? 2.805 1.230 0.968 1.00 96.32 27 A 1 ATOM 235 O O . THR A 1 27 ? 3.744 0.441 0.870 1.00 96.56 27 A 1 ATOM 236 C CB . THR A 1 27 ? 2.503 2.966 2.770 1.00 94.00 27 A 1 ATOM 237 O OG1 . THR A 1 27 ? 2.884 4.258 3.174 1.00 90.78 27 A 1 ATOM 238 C CG2 . THR A 1 27 ? 3.018 2.011 3.853 1.00 89.55 27 A 1 ATOM 239 N N . LYS A 1 28 ? 1.560 0.890 0.631 1.00 95.94 28 A 1 ATOM 240 C CA . LYS A 1 28 ? 1.184 -0.463 0.175 1.00 96.56 28 A 1 ATOM 241 C C . LYS A 1 28 ? 2.013 -0.909 -1.035 1.00 97.32 28 A 1 ATOM 242 O O . LYS A 1 28 ? 2.536 -2.020 -1.051 1.00 97.48 28 A 1 ATOM 243 C CB . LYS A 1 28 ? -0.314 -0.511 -0.176 1.00 96.37 28 A 1 ATOM 244 C CG . LYS A 1 28 ? -1.227 -0.477 1.059 1.00 95.08 28 A 1 ATOM 245 C CD . LYS A 1 28 ? -2.700 -0.422 0.629 1.00 92.04 28 A 1 ATOM 246 C CE . LYS A 1 28 ? -3.632 -0.387 1.846 1.00 88.10 28 A 1 ATOM 247 N NZ . LYS A 1 28 ? -5.063 -0.434 1.456 1.00 79.23 28 A 1 ATOM 248 N N . ARG A 1 29 ? 2.184 -0.023 -2.019 1.00 97.52 29 A 1 ATOM 249 C CA . ARG A 1 29 ? 3.005 -0.284 -3.212 1.00 97.59 29 A 1 ATOM 250 C C . ARG A 1 29 ? 4.474 -0.541 -2.865 1.00 97.83 29 A 1 ATOM 251 O O . ARG A 1 29 ? 5.081 -1.442 -3.439 1.00 97.63 29 A 1 ATOM 252 C CB . ARG A 1 29 ? 2.847 0.903 -4.175 1.00 97.00 29 A 1 ATOM 253 C CG . ARG A 1 29 ? 3.593 0.687 -5.500 1.00 94.04 29 A 1 ATOM 254 C CD . ARG A 1 29 ? 3.354 1.893 -6.405 1.00 91.74 29 A 1 ATOM 255 N NE . ARG A 1 29 ? 4.045 1.769 -7.694 1.00 84.83 29 A 1 ATOM 256 C CZ . ARG A 1 29 ? 4.889 2.636 -8.221 1.00 80.56 29 A 1 ATOM 257 N NH1 . ARG A 1 29 ? 5.360 3.659 -7.557 1.00 74.63 29 A 1 ATOM 258 N NH2 . ARG A 1 29 ? 5.265 2.509 -9.459 1.00 72.48 29 A 1 ATOM 259 N N . SER A 1 30 ? 5.046 0.244 -1.951 1.00 97.82 30 A 1 ATOM 260 C CA . SER A 1 30 ? 6.435 0.070 -1.505 1.00 97.92 30 A 1 ATOM 261 C C . SER A 1 30 ? 6.620 -1.225 -0.716 1.00 98.27 30 A 1 ATOM 262 O O . SER A 1 30 ? 7.561 -1.965 -0.997 1.00 97.81 30 A 1 ATOM 263 C CB . SER A 1 30 ? 6.892 1.273 -0.674 1.00 96.96 30 A 1 ATOM 264 O OG . SER A 1 30 ? 6.876 2.438 -1.477 1.00 83.19 30 A 1 ATOM 265 N N . THR A 1 31 ? 5.691 -1.547 0.197 1.00 98.17 31 A 1 ATOM 266 C CA . THR A 1 31 ? 5.692 -2.805 0.958 1.00 98.23 31 A 1 ATOM 267 C C . THR A 1 31 ? 5.603 -4.017 0.033 1.00 98.45 31 A 1 ATOM 268 O O . THR A 1 31 ? 6.431 -4.915 0.148 1.00 98.18 31 A 1 ATOM 269 C CB . THR A 1 31 ? 4.542 -2.829 1.976 1.00 97.79 31 A 1 ATOM 270 O OG1 . THR A 1 31 ? 4.668 -1.735 2.854 1.00 94.53 31 A 1 ATOM 271 C CG2 . THR A 1 31 ? 4.529 -4.089 2.843 1.00 93.19 31 A 1 ATOM 272 N N . ALA A 1 32 ? 4.682 -4.009 -0.932 1.00 98.16 32 A 1 ATOM 273 C CA . ALA A 1 32 ? 4.556 -5.101 -1.906 1.00 98.09 32 A 1 ATOM 274 C C . ALA A 1 32 ? 5.852 -5.311 -2.708 1.00 98.32 32 A 1 ATOM 275 O O . ALA A 1 32 ? 6.321 -6.434 -2.865 1.00 98.13 32 A 1 ATOM 276 C CB . ALA A 1 32 ? 3.370 -4.789 -2.834 1.00 97.74 32 A 1 ATOM 277 N N . ARG A 1 33 ? 6.490 -4.230 -3.167 1.00 98.30 33 A 1 ATOM 278 C CA . ARG A 1 33 ? 7.787 -4.306 -3.868 1.00 98.17 33 A 1 ATOM 279 C C . ARG A 1 33 ? 8.905 -4.848 -2.982 1.00 98.42 33 A 1 ATOM 280 O O . ARG A 1 33 ? 9.731 -5.614 -3.473 1.00 98.02 33 A 1 ATOM 281 C CB . ARG A 1 33 ? 8.182 -2.917 -4.379 1.00 97.32 33 A 1 ATOM 282 C CG . ARG A 1 33 ? 7.371 -2.505 -5.611 1.00 94.37 33 A 1 ATOM 283 C CD . ARG A 1 33 ? 7.722 -1.062 -5.959 1.00 91.27 33 A 1 ATOM 284 N NE . ARG A 1 33 ? 7.216 -0.692 -7.286 1.00 85.28 33 A 1 ATOM 285 C CZ . ARG A 1 33 ? 7.634 0.328 -8.013 1.00 80.60 33 A 1 ATOM 286 N NH1 . ARG A 1 33 ? 8.441 1.236 -7.530 1.00 74.37 33 A 1 ATOM 287 N NH2 . ARG A 1 33 ? 7.266 0.439 -9.259 1.00 74.19 33 A 1 ATOM 288 N N . GLY A 1 34 ? 8.955 -4.411 -1.718 1.00 98.53 34 A 1 ATOM 289 C CA . GLY A 1 34 ? 9.931 -4.897 -0.743 1.00 98.51 34 A 1 ATOM 290 C C . GLY A 1 34 ? 9.773 -6.386 -0.468 1.00 98.69 34 A 1 ATOM 291 O O . GLY A 1 34 ? 10.758 -7.119 -0.539 1.00 98.38 34 A 1 ATOM 292 N N . PHE A 1 35 ? 8.528 -6.845 -0.248 1.00 98.22 35 A 1 ATOM 293 C CA . PHE A 1 35 ? 8.214 -8.257 -0.045 1.00 98.25 35 A 1 ATOM 294 C C . PHE A 1 35 ? 8.653 -9.116 -1.237 1.00 98.44 35 A 1 ATOM 295 O O . PHE A 1 35 ? 9.452 -10.031 -1.061 1.00 98.42 35 A 1 ATOM 296 C CB . PHE A 1 35 ? 6.716 -8.406 0.240 1.00 98.32 35 A 1 ATOM 297 C CG . PHE A 1 35 ? 6.312 -9.850 0.455 1.00 98.19 35 A 1 ATOM 298 C CD1 . PHE A 1 35 ? 5.651 -10.563 -0.563 1.00 96.64 35 A 1 ATOM 299 C CD2 . PHE A 1 35 ? 6.636 -10.495 1.665 1.00 97.46 35 A 1 ATOM 300 C CE1 . PHE A 1 35 ? 5.312 -11.914 -0.370 1.00 96.67 35 A 1 ATOM 301 C CE2 . PHE A 1 35 ? 6.299 -11.844 1.854 1.00 97.07 35 A 1 ATOM 302 C CZ . PHE A 1 35 ? 5.636 -12.554 0.837 1.00 97.61 35 A 1 ATOM 303 N N . ILE A 1 36 ? 8.234 -8.762 -2.454 1.00 98.45 36 A 1 ATOM 304 C CA . ILE A 1 36 ? 8.582 -9.498 -3.683 1.00 98.41 36 A 1 ATOM 305 C C . ILE A 1 36 ? 10.100 -9.607 -3.877 1.00 98.46 36 A 1 ATOM 306 O O . ILE A 1 36 ? 10.595 -10.635 -4.316 1.00 98.21 36 A 1 ATOM 307 C CB . ILE A 1 36 ? 7.910 -8.831 -4.907 1.00 98.27 36 A 1 ATOM 308 C CG1 . ILE A 1 36 ? 6.376 -9.028 -4.848 1.00 97.77 36 A 1 ATOM 309 C CG2 . ILE A 1 36 ? 8.449 -9.371 -6.247 1.00 97.59 36 A 1 ATOM 310 C CD1 . ILE A 1 36 ? 5.594 -8.115 -5.796 1.00 96.04 36 A 1 ATOM 311 N N . ARG A 1 37 ? 10.854 -8.547 -3.577 1.00 98.66 37 A 1 ATOM 312 C CA . ARG A 1 37 ? 12.304 -8.509 -3.833 1.00 98.52 37 A 1 ATOM 313 C C . ARG A 1 37 ? 13.137 -9.228 -2.783 1.00 98.53 37 A 1 ATOM 314 O O . ARG A 1 37 ? 14.191 -9.742 -3.131 1.00 97.97 37 A 1 ATOM 315 C CB . ARG A 1 37 ? 12.770 -7.056 -3.930 1.00 98.11 37 A 1 ATOM 316 C CG . ARG A 1 37 ? 12.326 -6.404 -5.239 1.00 96.04 37 A 1 ATOM 317 C CD . ARG A 1 37 ? 12.693 -4.928 -5.186 1.00 93.72 37 A 1 ATOM 318 N NE . ARG A 1 37 ? 12.323 -4.244 -6.436 1.00 86.85 37 A 1 ATOM 319 C CZ . ARG A 1 37 ? 12.428 -2.948 -6.655 1.00 81.46 37 A 1 ATOM 320 N NH1 . ARG A 1 37 ? 12.844 -2.127 -5.725 1.00 76.26 37 A 1 ATOM 321 N NH2 . ARG A 1 37 ? 12.123 -2.460 -7.824 1.00 75.07 37 A 1 ATOM 322 N N . ASN A 1 38 ? 12.711 -9.192 -1.517 1.00 98.41 38 A 1 ATOM 323 C CA . ASN A 1 38 ? 13.592 -9.515 -0.398 1.00 98.26 38 A 1 ATOM 324 C C . ASN A 1 38 ? 13.077 -10.648 0.498 1.00 98.43 38 A 1 ATOM 325 O O . ASN A 1 38 ? 13.856 -11.153 1.300 1.00 97.32 38 A 1 ATOM 326 C CB . ASN A 1 38 ? 13.814 -8.242 0.439 1.00 97.72 38 A 1 ATOM 327 C CG . ASN A 1 38 ? 14.320 -7.045 -0.346 1.00 96.55 38 A 1 ATOM 328 O OD1 . ASN A 1 38 ? 15.157 -7.113 -1.234 1.00 89.01 38 A 1 ATOM 329 N ND2 . ASN A 1 38 ? 13.814 -5.871 -0.043 1.00 87.83 38 A 1 ATOM 330 N N . HIS A 1 39 ? 11.797 -11.011 0.424 1.00 98.43 39 A 1 ATOM 331 C CA . HIS A 1 39 ? 11.163 -11.914 1.389 1.00 98.32 39 A 1 ATOM 332 C C . HIS A 1 39 ? 10.320 -13.021 0.757 1.00 98.46 39 A 1 ATOM 333 O O . HIS A 1 39 ? 10.135 -14.051 1.397 1.00 97.49 39 A 1 ATOM 334 C CB . HIS A 1 39 ? 10.309 -11.083 2.357 1.00 97.96 39 A 1 ATOM 335 C CG . HIS A 1 39 ? 11.100 -10.037 3.105 1.00 97.47 39 A 1 ATOM 336 N ND1 . HIS A 1 39 ? 12.135 -10.279 3.980 1.00 87.47 39 A 1 ATOM 337 C CD2 . HIS A 1 39 ? 10.956 -8.675 3.031 1.00 88.71 39 A 1 ATOM 338 C CE1 . HIS A 1 39 ? 12.600 -9.097 4.416 1.00 90.29 39 A 1 ATOM 339 N NE2 . HIS A 1 39 ? 11.910 -8.090 3.868 1.00 92.17 39 A 1 ATOM 340 N N . ALA A 1 40 ? 9.791 -12.823 -0.450 1.00 98.14 40 A 1 ATOM 341 C CA . ALA A 1 40 ? 8.903 -13.781 -1.089 1.00 98.12 40 A 1 ATOM 342 C C . ALA A 1 40 ? 9.606 -15.115 -1.374 1.00 98.24 40 A 1 ATOM 343 O O . ALA A 1 40 ? 10.689 -15.149 -1.962 1.00 97.93 40 A 1 ATOM 344 C CB . ALA A 1 40 ? 8.334 -13.170 -2.372 1.00 98.00 40 A 1 ATOM 345 N N . THR A 1 41 ? 8.950 -16.218 -0.998 1.00 98.41 41 A 1 ATOM 346 C CA . THR A 1 41 ? 9.309 -17.573 -1.423 1.00 98.39 41 A 1 ATOM 347 C C . THR A 1 41 ? 8.894 -17.805 -2.878 1.00 98.52 41 A 1 ATOM 348 O O . THR A 1 41 ? 8.192 -17.000 -3.495 1.00 98.32 41 A 1 ATOM 349 C CB . THR A 1 41 ? 8.667 -18.625 -0.510 1.00 98.22 41 A 1 ATOM 350 O OG1 . THR A 1 41 ? 7.273 -18.581 -0.638 1.00 96.91 41 A 1 ATOM 351 C CG2 . THR A 1 41 ? 9.036 -18.441 0.964 1.00 95.54 41 A 1 ATOM 352 N N . LYS A 1 42 ? 9.323 -18.930 -3.459 1.00 98.53 42 A 1 ATOM 353 C CA . LYS A 1 42 ? 8.903 -19.313 -4.814 1.00 98.60 42 A 1 ATOM 354 C C . LYS A 1 42 ? 7.385 -19.499 -4.901 1.00 98.64 42 A 1 ATOM 355 O O . LYS A 1 42 ? 6.775 -19.101 -5.892 1.00 98.50 42 A 1 ATOM 356 C CB . LYS A 1 42 ? 9.662 -20.585 -5.219 1.00 98.47 42 A 1 ATOM 357 C CG . LYS A 1 42 ? 9.309 -21.048 -6.636 1.00 97.50 42 A 1 ATOM 358 C CD . LYS A 1 42 ? 10.077 -22.327 -6.970 1.00 95.77 42 A 1 ATOM 359 C CE . LYS A 1 42 ? 9.659 -22.845 -8.345 1.00 91.35 42 A 1 ATOM 360 N NZ . LYS A 1 42 ? 10.304 -24.154 -8.628 1.00 85.54 42 A 1 ATOM 361 N N . GLU A 1 43 ? 6.795 -20.087 -3.861 1.00 98.31 43 A 1 ATOM 362 C CA . GLU A 1 43 ? 5.363 -20.339 -3.735 1.00 98.22 43 A 1 ATOM 363 C C . GLU A 1 43 ? 4.578 -19.022 -3.701 1.00 98.30 43 A 1 ATOM 364 O O . GLU A 1 43 ? 3.643 -18.858 -4.487 1.00 97.75 43 A 1 ATOM 365 C CB . GLU A 1 43 ? 5.101 -21.193 -2.479 1.00 97.81 43 A 1 ATOM 366 C CG . GLU A 1 43 ? 5.681 -22.632 -2.539 1.00 89.20 43 A 1 ATOM 367 C CD . GLU A 1 43 ? 7.221 -22.724 -2.582 1.00 81.44 43 A 1 ATOM 368 O OE1 . GLU A 1 43 ? 7.726 -23.655 -3.256 1.00 73.94 43 A 1 ATOM 369 O OE2 . GLU A 1 43 ? 7.915 -21.829 -2.047 1.00 74.11 43 A 1 ATOM 370 N N . ASP A 1 44 ? 5.035 -18.040 -2.897 1.00 98.55 44 A 1 ATOM 371 C CA . ASP A 1 44 ? 4.440 -16.699 -2.857 1.00 98.46 44 A 1 ATOM 372 C C . ASP A 1 44 ? 4.474 -16.026 -4.234 1.00 98.57 44 A 1 ATOM 373 O O . ASP A 1 44 ? 3.499 -15.419 -4.679 1.00 98.39 44 A 1 ATOM 374 C CB . ASP A 1 44 ? 5.208 -15.786 -1.889 1.00 98.18 44 A 1 ATOM 375 C CG . ASP A 1 44 ? 5.201 -16.231 -0.428 1.00 97.39 44 A 1 ATOM 376 O OD1 . ASP A 1 44 ? 4.126 -16.607 0.079 1.00 95.19 44 A 1 ATOM 377 O OD2 . ASP A 1 44 ? 6.300 -16.153 0.179 1.00 94.82 44 A 1 ATOM 378 N N . LEU A 1 45 ? 5.607 -16.116 -4.946 1.00 98.51 45 A 1 ATOM 379 C CA . LEU A 1 45 ? 5.752 -15.514 -6.273 1.00 98.47 45 A 1 ATOM 380 C C . LEU A 1 45 ? 4.799 -16.136 -7.301 1.00 98.46 45 A 1 ATOM 381 O O . LEU A 1 45 ? 4.232 -15.410 -8.118 1.00 98.31 45 A 1 ATOM 382 C CB . LEU A 1 45 ? 7.209 -15.635 -6.746 1.00 98.38 45 A 1 ATOM 383 C CG . LEU A 1 45 ? 8.221 -14.785 -5.956 1.00 97.82 45 A 1 ATOM 384 C CD1 . LEU A 1 45 ? 9.635 -15.087 -6.450 1.00 97.16 45 A 1 ATOM 385 C CD2 . LEU A 1 45 ? 7.970 -13.284 -6.106 1.00 97.00 45 A 1 ATOM 386 N N . LEU A 1 46 ? 4.599 -17.458 -7.241 1.00 98.46 46 A 1 ATOM 387 C CA . LEU A 1 46 ? 3.650 -18.153 -8.116 1.00 98.37 46 A 1 ATOM 388 C C . LEU A 1 46 ? 2.199 -17.764 -7.811 1.00 98.29 46 A 1 ATOM 389 O O . LEU A 1 46 ? 1.404 -17.588 -8.738 1.00 97.94 46 A 1 ATOM 390 C CB . LEU A 1 46 ? 3.837 -19.673 -7.971 1.00 98.32 46 A 1 ATOM 391 C CG . LEU A 1 46 ? 5.138 -20.233 -8.581 1.00 97.30 46 A 1 ATOM 392 C CD1 . LEU A 1 46 ? 5.282 -21.707 -8.197 1.00 95.52 46 A 1 ATOM 393 C CD2 . LEU A 1 46 ? 5.155 -20.132 -10.108 1.00 95.74 46 A 1 ATOM 394 N N . GLU A 1 47 ? 1.846 -17.601 -6.529 1.00 98.33 47 A 1 ATOM 395 C CA . GLU A 1 47 ? 0.526 -17.110 -6.125 1.00 98.05 47 A 1 ATOM 396 C C . GLU A 1 47 ? 0.306 -15.663 -6.584 1.00 98.06 47 A 1 ATOM 397 O O . GLU A 1 47 ? -0.678 -15.359 -7.267 1.00 97.51 47 A 1 ATOM 398 C CB . GLU A 1 47 ? 0.372 -17.246 -4.605 1.00 97.56 47 A 1 ATOM 399 C CG . GLU A 1 47 ? -1.058 -16.890 -4.179 1.00 89.88 47 A 1 ATOM 400 C CD . GLU A 1 47 ? -1.272 -16.916 -2.660 1.00 87.03 47 A 1 ATOM 401 O OE1 . GLU A 1 47 ? -2.310 -16.345 -2.247 1.00 78.21 47 A 1 ATOM 402 O OE2 . GLU A 1 47 ? -0.424 -17.483 -1.944 1.00 82.33 47 A 1 ATOM 403 N N . LEU A 1 48 ? 1.266 -14.772 -6.293 1.00 98.05 48 A 1 ATOM 404 C CA . LEU A 1 48 ? 1.202 -13.370 -6.706 1.00 97.86 48 A 1 ATOM 405 C C . LEU A 1 48 ? 1.113 -13.222 -8.227 1.00 97.83 48 A 1 ATOM 406 O O . LEU A 1 48 ? 0.376 -12.366 -8.714 1.00 97.59 48 A 1 ATOM 407 C CB . LEU A 1 48 ? 2.432 -12.626 -6.165 1.00 97.68 48 A 1 ATOM 408 C CG . LEU A 1 48 ? 2.420 -12.395 -4.642 1.00 96.88 48 A 1 ATOM 409 C CD1 . LEU A 1 48 ? 3.774 -11.835 -4.214 1.00 95.23 48 A 1 ATOM 410 C CD2 . LEU A 1 48 ? 1.339 -11.397 -4.220 1.00 95.10 48 A 1 ATOM 411 N N . GLN A 1 49 ? 1.811 -14.068 -8.984 1.00 98.12 49 A 1 ATOM 412 C CA . GLN A 1 49 ? 1.716 -14.079 -10.444 1.00 97.96 49 A 1 ATOM 413 C C . GLN A 1 49 ? 0.285 -14.358 -10.920 1.00 97.88 49 A 1 ATOM 414 O O . GLN A 1 49 ? -0.205 -13.647 -11.804 1.00 97.54 49 A 1 ATOM 415 C CB . GLN A 1 49 ? 2.705 -15.105 -11.011 1.00 97.77 49 A 1 ATOM 416 C CG . GLN A 1 49 ? 2.745 -15.059 -12.543 1.00 95.33 49 A 1 ATOM 417 C CD . GLN A 1 49 ? 3.710 -16.085 -13.133 1.00 92.25 49 A 1 ATOM 418 O OE1 . GLN A 1 49 ? 4.042 -17.098 -12.550 1.00 86.26 49 A 1 ATOM 419 N NE2 . GLN A 1 49 ? 4.187 -15.872 -14.341 1.00 85.20 49 A 1 ATOM 420 N N . LYS A 1 50 ? -0.407 -15.347 -10.315 1.00 98.00 50 A 1 ATOM 421 C CA . LYS A 1 50 ? -1.813 -15.646 -10.637 1.00 97.74 50 A 1 ATOM 422 C C . LYS A 1 50 ? -2.719 -14.462 -10.308 1.00 97.72 50 A 1 ATOM 423 O O . LYS A 1 50 ? -3.469 -14.010 -11.172 1.00 97.20 50 A 1 ATOM 424 C CB . LYS A 1 50 ? -2.288 -16.895 -9.886 1.00 97.68 50 A 1 ATOM 425 C CG . LYS A 1 50 ? -1.612 -18.184 -10.371 1.00 92.63 50 A 1 ATOM 426 C CD . LYS A 1 50 ? -2.027 -19.343 -9.462 1.00 90.19 50 A 1 ATOM 427 C CE . LYS A 1 50 ? -1.313 -20.636 -9.850 1.00 84.08 50 A 1 ATOM 428 N NZ . LYS A 1 50 ? -1.669 -21.737 -8.921 1.00 76.32 50 A 1 ATOM 429 N N . LEU A 1 51 ? -2.573 -13.888 -9.102 1.00 97.71 51 A 1 ATOM 430 C CA . LEU A 1 51 ? -3.352 -12.720 -8.677 1.00 97.42 51 A 1 ATOM 431 C C . LEU A 1 51 ? -3.153 -11.516 -9.607 1.00 97.49 51 A 1 ATOM 432 O O . LEU A 1 51 ? -4.111 -10.812 -9.933 1.00 97.10 51 A 1 ATOM 433 C CB . LEU A 1 51 ? -2.953 -12.340 -7.242 1.00 97.23 51 A 1 ATOM 434 C CG . LEU A 1 51 ? -3.367 -13.354 -6.154 1.00 94.93 51 A 1 ATOM 435 C CD1 . LEU A 1 51 ? -2.779 -12.911 -4.815 1.00 91.95 51 A 1 ATOM 436 C CD2 . LEU A 1 51 ? -4.885 -13.444 -6.013 1.00 92.50 51 A 1 ATOM 437 N N . ILE A 1 52 ? -1.919 -11.272 -10.058 1.00 97.51 52 A 1 ATOM 438 C CA . ILE A 1 52 ? -1.620 -10.206 -11.024 1.00 97.29 52 A 1 ATOM 439 C C . ILE A 1 52 ? -2.315 -10.488 -12.357 1.00 97.23 52 A 1 ATOM 440 O O . ILE A 1 52 ? -2.982 -9.601 -12.889 1.00 96.96 52 A 1 ATOM 441 C CB . ILE A 1 52 ? -0.093 -10.024 -11.183 1.00 97.29 52 A 1 ATOM 442 C CG1 . ILE A 1 52 ? 0.501 -9.393 -9.900 1.00 96.96 52 A 1 ATOM 443 C CG2 . ILE A 1 52 ? 0.252 -9.152 -12.405 1.00 96.40 52 A 1 ATOM 444 C CD1 . ILE A 1 52 ? 2.024 -9.517 -9.797 1.00 95.54 52 A 1 ATOM 445 N N . GLN A 1 53 ? -2.203 -11.705 -12.883 1.00 97.65 53 A 1 ATOM 446 C CA . GLN A 1 53 ? -2.837 -12.084 -14.150 1.00 97.50 53 A 1 ATOM 447 C C . GLN A 1 53 ? -4.363 -11.958 -14.100 1.00 97.40 53 A 1 ATOM 448 O O . GLN A 1 53 ? -4.970 -11.478 -15.057 1.00 96.99 53 A 1 ATOM 449 C CB . GLN A 1 53 ? -2.455 -13.522 -14.510 1.00 97.42 53 A 1 ATOM 450 C CG . GLN A 1 53 ? -1.004 -13.647 -14.999 1.00 94.42 53 A 1 ATOM 451 C CD . GLN A 1 53 ? -0.601 -15.100 -15.254 1.00 88.88 53 A 1 ATOM 452 O OE1 . GLN A 1 53 ? -1.305 -16.053 -14.963 1.00 83.83 53 A 1 ATOM 453 N NE2 . GLN A 1 53 ? 0.559 -15.333 -15.825 1.00 81.45 53 A 1 ATOM 454 N N . GLU A 1 54 ? -4.989 -12.350 -12.987 1.00 97.43 54 A 1 ATOM 455 C CA . GLU A 1 54 ? -6.432 -12.201 -12.788 1.00 96.89 54 A 1 ATOM 456 C C . GLU A 1 54 ? -6.859 -10.735 -12.721 1.00 96.93 54 A 1 ATOM 457 O O . GLU A 1 54 ? -7.867 -10.359 -13.317 1.00 96.07 54 A 1 ATOM 458 C CB . GLU A 1 54 ? -6.850 -12.903 -11.497 1.00 96.53 54 A 1 ATOM 459 C CG . GLU A 1 54 ? -6.836 -14.429 -11.659 1.00 86.93 54 A 1 ATOM 460 C CD . GLU A 1 54 ? -7.155 -15.161 -10.349 1.00 79.41 54 A 1 ATOM 461 O OE1 . GLU A 1 54 ? -7.079 -16.410 -10.385 1.00 74.11 54 A 1 ATOM 462 O OE2 . GLU A 1 54 ? -7.473 -14.479 -9.351 1.00 74.69 54 A 1 ATOM 463 N N . ASN A 1 55 ? -6.090 -9.896 -12.019 1.00 97.51 55 A 1 ATOM 464 C CA . ASN A 1 55 ? -6.404 -8.471 -11.930 1.00 97.01 55 A 1 ATOM 465 C C . ASN A 1 55 ? -6.168 -7.730 -13.247 1.00 97.07 55 A 1 ATOM 466 O O . ASN A 1 55 ? -6.936 -6.817 -13.544 1.00 96.03 55 A 1 ATOM 467 C CB . ASN A 1 55 ? -5.654 -7.828 -10.761 1.00 96.38 55 A 1 ATOM 468 C CG . ASN A 1 55 ? -6.385 -8.065 -9.455 1.00 88.82 55 A 1 ATOM 469 O OD1 . ASN A 1 55 ? -7.381 -7.417 -9.143 1.00 77.69 55 A 1 ATOM 470 N ND2 . ASN A 1 55 ? -5.964 -9.024 -8.678 1.00 77.36 55 A 1 ATOM 471 N N . LEU A 1 56 ? -5.177 -8.135 -14.046 1.00 97.50 56 A 1 ATOM 472 C CA . LEU A 1 56 ? -4.937 -7.538 -15.365 1.00 97.36 56 A 1 ATOM 473 C C . LEU A 1 56 ? -6.110 -7.732 -16.332 1.00 97.23 56 A 1 ATOM 474 O O . LEU A 1 56 ? -6.319 -6.880 -17.187 1.00 96.59 56 A 1 ATOM 475 C CB . LEU A 1 56 ? -3.641 -8.104 -15.964 1.00 97.18 56 A 1 ATOM 476 C CG . LEU A 1 56 ? -2.352 -7.515 -15.365 1.00 94.72 56 A 1 ATOM 477 C CD1 . LEU A 1 56 ? -1.147 -8.291 -15.897 1.00 92.75 56 A 1 ATOM 478 C CD2 . LEU A 1 56 ? -2.161 -6.042 -15.724 1.00 93.52 56 A 1 ATOM 479 N N . LYS A 1 57 ? -6.924 -8.781 -16.163 1.00 96.55 57 A 1 ATOM 480 C CA . LYS A 1 57 ? -8.137 -8.994 -16.982 1.00 96.11 57 A 1 ATOM 481 C C . LYS A 1 57 ? -9.233 -7.944 -16.762 1.00 95.88 57 A 1 ATOM 482 O O . LYS A 1 57 ? -10.198 -7.924 -17.518 1.00 94.08 57 A 1 ATOM 483 C CB . LYS A 1 57 ? -8.726 -10.385 -16.705 1.00 96.04 57 A 1 ATOM 484 C CG . LYS A 1 57 ? -7.797 -11.532 -17.110 1.00 94.76 57 A 1 ATOM 485 C CD . LYS A 1 57 ? -8.386 -12.864 -16.633 1.00 90.74 57 A 1 ATOM 486 C CE . LYS A 1 57 ? -7.405 -14.006 -16.898 1.00 88.45 57 A 1 ATOM 487 N NZ . LYS A 1 57 ? -7.911 -15.288 -16.347 1.00 82.05 57 A 1 ATOM 488 N N . LYS A 1 58 ? -9.131 -7.119 -15.711 1.00 96.12 58 A 1 ATOM 489 C CA . LYS A 1 58 ? -10.101 -6.058 -15.390 1.00 94.50 58 A 1 ATOM 490 C C . LYS A 1 58 ? -9.837 -4.748 -16.143 1.00 94.25 58 A 1 ATOM 491 O O . LYS A 1 58 ? -10.645 -3.833 -16.024 1.00 91.15 58 A 1 ATOM 492 C CB . LYS A 1 58 ? -10.114 -5.805 -13.872 1.00 93.23 58 A 1 ATOM 493 C CG . LYS A 1 58 ? -10.462 -7.055 -13.043 1.00 90.58 58 A 1 ATOM 494 C CD . LYS A 1 58 ? -10.324 -6.765 -11.542 1.00 87.25 58 A 1 ATOM 495 C CE . LYS A 1 58 ? -10.606 -8.045 -10.747 1.00 83.62 58 A 1 ATOM 496 N NZ . LYS A 1 58 ? -10.221 -7.897 -9.320 1.00 78.12 58 A 1 ATOM 497 N N . PHE A 1 59 ? -8.716 -4.671 -16.856 1.00 95.54 59 A 1 ATOM 498 C CA . PHE A 1 59 ? -8.296 -3.488 -17.612 1.00 93.41 59 A 1 ATOM 499 C C . PHE A 1 59 ? -8.292 -3.786 -19.109 1.00 90.87 59 A 1 ATOM 500 O O . PHE A 1 59 ? -8.577 -2.834 -19.874 1.00 84.83 59 A 1 ATOM 501 C CB . PHE A 1 59 ? -6.897 -3.056 -17.153 1.00 91.22 59 A 1 ATOM 502 C CG . PHE A 1 59 ? -6.792 -2.625 -15.703 1.00 90.99 59 A 1 ATOM 503 C CD1 . PHE A 1 59 ? -7.098 -1.300 -15.343 1.00 88.29 59 A 1 ATOM 504 C CD2 . PHE A 1 59 ? -6.393 -3.540 -14.714 1.00 88.80 59 A 1 ATOM 505 C CE1 . PHE A 1 59 ? -7.000 -0.890 -14.006 1.00 86.79 59 A 1 ATOM 506 C CE2 . PHE A 1 59 ? -6.299 -3.131 -13.374 1.00 89.53 59 A 1 ATOM 507 C CZ . PHE A 1 59 ? -6.598 -1.804 -13.020 1.00 86.48 59 A 1 ATOM 508 O OXT . PHE A 1 59 ? -7.998 -4.939 -19.456 1.00 82.75 59 A 1 #