# 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_racc # _entry.id racc # 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" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "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" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "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" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@@H](C(=O)O)N ? "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 ILE 2 1 n THR 3 1 n ASN 4 1 n TYR 5 1 n GLU 6 1 n ALA 7 1 n THR 8 1 n VAL 9 1 n VAL 10 1 n THR 11 1 n THR 12 1 n ASP 13 1 n ASP 14 1 n ILE 15 1 n VAL 16 1 n HIS 17 1 n GLU 18 1 n VAL 19 1 n ASN 20 1 n LEU 21 1 n GLU 22 1 n GLY 23 1 n LYS 24 1 n ARG 25 1 n ILE 26 1 n GLY 27 1 n TYR 28 1 n VAL 29 1 n ILE 30 1 n LYS 31 1 n THR 32 1 n GLU 33 1 n ASN 34 1 n LYS 35 1 n GLU 36 1 n THR 37 1 n PRO 38 1 n PHE 39 1 n THR 40 1 n VAL 41 1 n VAL 42 1 n ASP 43 1 n ILE 44 1 n ASP 45 1 n GLY 46 1 n PRO 47 1 n SER 48 1 n GLY 49 1 n ASN 50 1 n VAL 51 1 n LYS 52 1 n THR 53 1 n LEU 54 1 n ASP 55 1 n GLU 56 1 n GLY 57 1 n VAL 58 1 n LYS 59 1 n LYS 60 1 n MET 61 1 n CYS 62 1 n LEU 63 1 n VAL 64 1 n HIS 65 1 n ILE 66 1 n GLY 67 1 n LYS 68 1 n ASN 69 1 n LEU 70 1 n PRO 71 1 n ALA 72 1 n GLU 73 1 n LYS 74 1 n LYS 75 1 n ALA 76 1 n GLU 77 1 n PHE 78 1 n LEU 79 1 n ALA 80 1 n THR 81 1 n LEU 82 1 n ILE 83 1 n ALA 84 1 n MET 85 1 n LYS 86 1 n LEU 87 1 n LYS 88 1 n GLY 89 1 n GLU 90 1 n ILE 91 # _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 @ 2025-04-07 01:09:26)" _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 88.81 _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 46.78 1 1 A ILE 2 2 55.23 1 2 A THR 3 2 56.22 1 3 A ASN 4 2 65.53 1 4 A TYR 5 2 78.31 1 5 A GLU 6 2 80.44 1 6 A ALA 7 2 93.74 1 7 A THR 8 2 92.78 1 8 A VAL 9 2 95.85 1 9 A VAL 10 2 95.77 1 10 A THR 11 2 97.00 1 11 A THR 12 2 95.11 1 12 A ASP 13 2 94.64 1 13 A ASP 14 2 91.09 1 14 A ILE 15 2 96.57 1 15 A VAL 16 2 97.82 1 16 A HIS 17 2 95.60 1 17 A GLU 18 2 93.60 1 18 A VAL 19 2 97.26 1 19 A ASN 20 2 93.93 1 20 A LEU 21 2 94.58 1 21 A GLU 22 2 85.43 1 22 A GLY 23 2 92.43 1 23 A LYS 24 2 83.89 1 24 A ARG 25 2 87.45 1 25 A ILE 26 2 96.32 1 26 A GLY 27 2 97.95 1 27 A TYR 28 2 96.56 1 28 A VAL 29 2 97.75 1 29 A ILE 30 2 97.51 1 30 A LYS 31 2 92.07 1 31 A THR 32 2 95.75 1 32 A GLU 33 2 88.36 1 33 A ASN 34 2 93.09 1 34 A LYS 35 2 87.77 1 35 A GLU 36 2 86.85 1 36 A THR 37 2 95.59 1 37 A PRO 38 2 96.88 1 38 A PHE 39 2 97.57 1 39 A THR 40 2 95.33 1 40 A VAL 41 2 96.49 1 41 A VAL 42 2 96.54 1 42 A ASP 43 2 93.96 1 43 A ILE 44 2 91.01 1 44 A ASP 45 2 84.60 1 45 A GLY 46 2 91.00 1 46 A PRO 47 2 89.83 1 47 A SER 48 2 91.39 1 48 A GLY 49 2 95.14 1 49 A ASN 50 2 93.04 1 50 A VAL 51 2 95.96 1 51 A LYS 52 2 89.64 1 52 A THR 53 2 95.24 1 53 A LEU 54 2 95.92 1 54 A ASP 55 2 86.46 1 55 A GLU 56 2 87.19 1 56 A GLY 57 2 94.80 1 57 A VAL 58 2 95.31 1 58 A LYS 59 2 84.61 1 59 A LYS 60 2 84.12 1 60 A MET 61 2 91.81 1 61 A CYS 62 2 94.47 1 62 A LEU 63 2 90.45 1 63 A VAL 64 2 91.18 1 64 A HIS 65 2 88.96 1 65 A ILE 66 2 91.95 1 66 A GLY 67 2 91.23 1 67 A LYS 68 2 83.25 1 68 A ASN 69 2 85.66 1 69 A LEU 70 2 89.77 1 70 A PRO 71 2 92.61 1 71 A ALA 72 2 92.64 1 72 A GLU 73 2 85.01 1 73 A LYS 74 2 85.55 1 74 A LYS 75 2 86.80 1 75 A ALA 76 2 91.79 1 76 A GLU 77 2 82.14 1 77 A PHE 78 2 89.76 1 78 A LEU 79 2 84.57 1 79 A ALA 80 2 92.29 1 80 A THR 81 2 88.15 1 81 A LEU 82 2 86.80 1 82 A ILE 83 2 90.05 1 83 A ALA 84 2 91.50 1 84 A MET 85 2 84.00 1 85 A LYS 86 2 81.19 1 86 A LEU 87 2 90.58 1 87 A LYS 88 2 84.58 1 88 A GLY 89 2 84.75 1 89 A GLU 90 2 76.30 1 90 A ILE 91 2 77.09 1 91 # _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 ILE . 2 A 2 A 3 1 n THR . 3 A 3 A 4 1 n ASN . 4 A 4 A 5 1 n TYR . 5 A 5 A 6 1 n GLU . 6 A 6 A 7 1 n ALA . 7 A 7 A 8 1 n THR . 8 A 8 A 9 1 n VAL . 9 A 9 A 10 1 n VAL . 10 A 10 A 11 1 n THR . 11 A 11 A 12 1 n THR . 12 A 12 A 13 1 n ASP . 13 A 13 A 14 1 n ASP . 14 A 14 A 15 1 n ILE . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n HIS . 17 A 17 A 18 1 n GLU . 18 A 18 A 19 1 n VAL . 19 A 19 A 20 1 n ASN . 20 A 20 A 21 1 n LEU . 21 A 21 A 22 1 n GLU . 22 A 22 A 23 1 n GLY . 23 A 23 A 24 1 n LYS . 24 A 24 A 25 1 n ARG . 25 A 25 A 26 1 n ILE . 26 A 26 A 27 1 n GLY . 27 A 27 A 28 1 n TYR . 28 A 28 A 29 1 n VAL . 29 A 29 A 30 1 n ILE . 30 A 30 A 31 1 n LYS . 31 A 31 A 32 1 n THR . 32 A 32 A 33 1 n GLU . 33 A 33 A 34 1 n ASN . 34 A 34 A 35 1 n LYS . 35 A 35 A 36 1 n GLU . 36 A 36 A 37 1 n THR . 37 A 37 A 38 1 n PRO . 38 A 38 A 39 1 n PHE . 39 A 39 A 40 1 n THR . 40 A 40 A 41 1 n VAL . 41 A 41 A 42 1 n VAL . 42 A 42 A 43 1 n ASP . 43 A 43 A 44 1 n ILE . 44 A 44 A 45 1 n ASP . 45 A 45 A 46 1 n GLY . 46 A 46 A 47 1 n PRO . 47 A 47 A 48 1 n SER . 48 A 48 A 49 1 n GLY . 49 A 49 A 50 1 n ASN . 50 A 50 A 51 1 n VAL . 51 A 51 A 52 1 n LYS . 52 A 52 A 53 1 n THR . 53 A 53 A 54 1 n LEU . 54 A 54 A 55 1 n ASP . 55 A 55 A 56 1 n GLU . 56 A 56 A 57 1 n GLY . 57 A 57 A 58 1 n VAL . 58 A 58 A 59 1 n LYS . 59 A 59 A 60 1 n LYS . 60 A 60 A 61 1 n MET . 61 A 61 A 62 1 n CYS . 62 A 62 A 63 1 n LEU . 63 A 63 A 64 1 n VAL . 64 A 64 A 65 1 n HIS . 65 A 65 A 66 1 n ILE . 66 A 66 A 67 1 n GLY . 67 A 67 A 68 1 n LYS . 68 A 68 A 69 1 n ASN . 69 A 69 A 70 1 n LEU . 70 A 70 A 71 1 n PRO . 71 A 71 A 72 1 n ALA . 72 A 72 A 73 1 n GLU . 73 A 73 A 74 1 n LYS . 74 A 74 A 75 1 n LYS . 75 A 75 A 76 1 n ALA . 76 A 76 A 77 1 n GLU . 77 A 77 A 78 1 n PHE . 78 A 78 A 79 1 n LEU . 79 A 79 A 80 1 n ALA . 80 A 80 A 81 1 n THR . 81 A 81 A 82 1 n LEU . 82 A 82 A 83 1 n ILE . 83 A 83 A 84 1 n ALA . 84 A 84 A 85 1 n MET . 85 A 85 A 86 1 n LYS . 86 A 86 A 87 1 n LEU . 87 A 87 A 88 1 n LYS . 88 A 88 A 89 1 n GLY . 89 A 89 A 90 1 n GLU . 90 A 90 A 91 1 n ILE . 91 A 91 # _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 ? 14.693 9.375 0.769 1.00 47.83 1 A 1 ATOM 2 C CA . MET A 1 1 ? 13.307 9.805 1.019 1.00 51.26 1 A 1 ATOM 3 C C . MET A 1 1 ? 12.514 9.476 -0.236 1.00 54.78 1 A 1 ATOM 4 O O . MET A 1 1 ? 12.793 10.053 -1.276 1.00 53.05 1 A 1 ATOM 5 C CB . MET A 1 1 ? 13.291 11.299 1.360 1.00 49.70 1 A 1 ATOM 6 C CG . MET A 1 1 ? 12.045 11.735 2.129 1.00 43.65 1 A 1 ATOM 7 S SD . MET A 1 1 ? 12.123 13.488 2.601 1.00 38.79 1 A 1 ATOM 8 C CE . MET A 1 1 ? 10.645 13.618 3.648 1.00 35.19 1 A 1 ATOM 9 N N . ILE A 1 2 ? 11.625 8.503 -0.176 1.00 56.68 2 A 1 ATOM 10 C CA . ILE A 1 2 ? 10.800 8.086 -1.324 1.00 58.19 2 A 1 ATOM 11 C C . ILE A 1 2 ? 9.599 9.038 -1.380 1.00 58.92 2 A 1 ATOM 12 O O . ILE A 1 2 ? 8.493 8.686 -0.994 1.00 56.24 2 A 1 ATOM 13 C CB . ILE A 1 2 ? 10.396 6.598 -1.216 1.00 57.11 2 A 1 ATOM 14 C CG1 . ILE A 1 2 ? 11.619 5.667 -1.021 1.00 53.25 2 A 1 ATOM 15 C CG2 . ILE A 1 2 ? 9.626 6.160 -2.478 1.00 51.78 2 A 1 ATOM 16 C CD1 . ILE A 1 2 ? 11.222 4.268 -0.524 1.00 49.65 2 A 1 ATOM 17 N N . THR A 1 3 ? 9.841 10.292 -1.745 1.00 59.68 3 A 1 ATOM 18 C CA . THR A 1 3 ? 8.837 11.366 -1.708 1.00 60.07 3 A 1 ATOM 19 C C . THR A 1 3 ? 8.291 11.742 -3.076 1.00 63.09 3 A 1 ATOM 20 O O . THR A 1 3 ? 7.292 12.445 -3.146 1.00 59.24 3 A 1 ATOM 21 C CB . THR A 1 3 ? 9.414 12.630 -1.057 1.00 54.90 3 A 1 ATOM 22 O OG1 . THR A 1 3 ? 10.747 12.857 -1.489 1.00 49.24 3 A 1 ATOM 23 C CG2 . THR A 1 3 ? 9.434 12.492 0.458 1.00 47.31 3 A 1 ATOM 24 N N . ASN A 1 4 ? 8.922 11.282 -4.153 1.00 70.34 4 A 1 ATOM 25 C CA . ASN A 1 4 ? 8.607 11.737 -5.504 1.00 72.40 4 A 1 ATOM 26 C C . ASN A 1 4 ? 7.734 10.728 -6.251 1.00 75.47 4 A 1 ATOM 27 O O . ASN A 1 4 ? 8.060 10.342 -7.370 1.00 72.86 4 A 1 ATOM 28 C CB . ASN A 1 4 ? 9.902 12.086 -6.264 1.00 67.24 4 A 1 ATOM 29 C CG . ASN A 1 4 ? 10.642 13.289 -5.708 1.00 59.08 4 A 1 ATOM 30 O OD1 . ASN A 1 4 ? 10.272 13.924 -4.743 1.00 53.81 4 A 1 ATOM 31 N ND2 . ASN A 1 4 ? 11.755 13.634 -6.321 1.00 53.07 4 A 1 ATOM 32 N N . TYR A 1 5 ? 6.653 10.278 -5.634 1.00 78.09 5 A 1 ATOM 33 C CA . TYR A 1 5 ? 5.611 9.545 -6.346 1.00 81.64 5 A 1 ATOM 34 C C . TYR A 1 5 ? 4.261 10.215 -6.109 1.00 83.37 5 A 1 ATOM 35 O O . TYR A 1 5 ? 3.976 10.696 -5.010 1.00 82.87 5 A 1 ATOM 36 C CB . TYR A 1 5 ? 5.599 8.062 -5.956 1.00 80.53 5 A 1 ATOM 37 C CG . TYR A 1 5 ? 5.179 7.763 -4.533 1.00 80.39 5 A 1 ATOM 38 C CD1 . TYR A 1 5 ? 6.138 7.732 -3.499 1.00 78.11 5 A 1 ATOM 39 C CD2 . TYR A 1 5 ? 3.831 7.498 -4.228 1.00 78.15 5 A 1 ATOM 40 C CE1 . TYR A 1 5 ? 5.759 7.438 -2.182 1.00 74.11 5 A 1 ATOM 41 C CE2 . TYR A 1 5 ? 3.436 7.204 -2.911 1.00 75.35 5 A 1 ATOM 42 C CZ . TYR A 1 5 ? 4.406 7.174 -1.893 1.00 74.76 5 A 1 ATOM 43 O OH . TYR A 1 5 ? 4.024 6.880 -0.604 1.00 72.39 5 A 1 ATOM 44 N N . GLU A 1 6 ? 3.436 10.239 -7.148 1.00 87.25 6 A 1 ATOM 45 C CA . GLU A 1 6 ? 2.073 10.742 -7.077 1.00 90.01 6 A 1 ATOM 46 C C . GLU A 1 6 ? 1.129 9.553 -6.898 1.00 91.63 6 A 1 ATOM 47 O O . GLU A 1 6 ? 0.980 8.723 -7.795 1.00 91.02 6 A 1 ATOM 48 C CB . GLU A 1 6 ? 1.774 11.572 -8.331 1.00 87.64 6 A 1 ATOM 49 C CG . GLU A 1 6 ? 0.416 12.277 -8.221 1.00 77.47 6 A 1 ATOM 50 C CD . GLU A 1 6 ? 0.104 13.184 -9.422 1.00 70.54 6 A 1 ATOM 51 O OE1 . GLU A 1 6 ? -0.979 13.810 -9.393 1.00 63.24 6 A 1 ATOM 52 O OE2 . GLU A 1 6 ? 0.932 13.256 -10.357 1.00 65.16 6 A 1 ATOM 53 N N . ALA A 1 7 ? 0.515 9.450 -5.723 1.00 93.51 7 A 1 ATOM 54 C CA . ALA A 1 7 ? -0.520 8.466 -5.451 1.00 94.00 7 A 1 ATOM 55 C C . ALA A 1 7 ? -1.852 9.170 -5.199 1.00 94.82 7 A 1 ATOM 56 O O . ALA A 1 7 ? -1.920 10.145 -4.448 1.00 93.96 7 A 1 ATOM 57 C CB . ALA A 1 7 ? -0.104 7.572 -4.278 1.00 92.42 7 A 1 ATOM 58 N N . THR A 1 8 ? -2.911 8.643 -5.787 1.00 95.45 8 A 1 ATOM 59 C CA . THR A 1 8 ? -4.278 9.099 -5.540 1.00 95.75 8 A 1 ATOM 60 C C . THR A 1 8 ? -5.119 7.951 -5.003 1.00 96.25 8 A 1 ATOM 61 O O . THR A 1 8 ? -4.947 6.795 -5.391 1.00 95.88 8 A 1 ATOM 62 C CB . THR A 1 8 ? -4.921 9.735 -6.780 1.00 94.70 8 A 1 ATOM 63 O OG1 . THR A 1 8 ? -4.976 8.827 -7.855 1.00 87.00 8 A 1 ATOM 64 C CG2 . THR A 1 8 ? -4.147 10.961 -7.258 1.00 84.43 8 A 1 ATOM 65 N N . VAL A 1 9 ? -6.026 8.277 -4.092 1.00 96.51 9 A 1 ATOM 66 C CA . VAL A 1 9 ? -6.993 7.334 -3.527 1.00 96.69 9 A 1 ATOM 67 C C . VAL A 1 9 ? -8.382 7.853 -3.851 1.00 96.79 9 A 1 ATOM 68 O O . VAL A 1 9 ? -8.710 8.990 -3.517 1.00 96.29 9 A 1 ATOM 69 C CB . VAL A 1 9 ? -6.802 7.149 -2.015 1.00 96.19 9 A 1 ATOM 70 C CG1 . VAL A 1 9 ? -7.768 6.094 -1.466 1.00 94.13 9 A 1 ATOM 71 C CG2 . VAL A 1 9 ? -5.373 6.698 -1.691 1.00 94.35 9 A 1 ATOM 72 N N . VAL A 1 10 ? -9.182 7.029 -4.508 1.00 97.39 10 A 1 ATOM 73 C CA . VAL A 1 10 ? -10.547 7.362 -4.913 1.00 97.41 10 A 1 ATOM 74 C C . VAL A 1 10 ? -11.505 6.387 -4.247 1.00 97.86 10 A 1 ATOM 75 O O . VAL A 1 10 ? -11.321 5.174 -4.323 1.00 97.55 10 A 1 ATOM 76 C CB . VAL A 1 10 ? -10.698 7.355 -6.447 1.00 96.33 10 A 1 ATOM 77 C CG1 . VAL A 1 10 ? -12.110 7.785 -6.867 1.00 91.79 10 A 1 ATOM 78 C CG2 . VAL A 1 10 ? -9.699 8.315 -7.113 1.00 92.05 10 A 1 ATOM 79 N N . THR A 1 11 ? -12.536 6.922 -3.606 1.00 97.62 11 A 1 ATOM 80 C CA . THR A 1 11 ? -13.628 6.128 -3.041 1.00 97.83 11 A 1 ATOM 81 C C . THR A 1 11 ? -14.958 6.822 -3.304 1.00 97.58 11 A 1 ATOM 82 O O . THR A 1 11 ? -15.016 8.050 -3.395 1.00 96.69 11 A 1 ATOM 83 C CB . THR A 1 11 ? -13.406 5.850 -1.548 1.00 97.67 11 A 1 ATOM 84 O OG1 . THR A 1 11 ? -14.434 5.005 -1.088 1.00 96.13 11 A 1 ATOM 85 C CG2 . THR A 1 11 ? -13.389 7.112 -0.673 1.00 95.46 11 A 1 ATOM 86 N N . THR A 1 12 ? -16.018 6.039 -3.426 1.00 97.35 12 A 1 ATOM 87 C CA . THR A 1 12 ? -17.398 6.536 -3.558 1.00 97.04 12 A 1 ATOM 88 C C . THR A 1 12 ? -18.268 6.171 -2.359 1.00 97.01 12 A 1 ATOM 89 O O . THR A 1 12 ? -19.321 6.767 -2.173 1.00 94.76 12 A 1 ATOM 90 C CB . THR A 1 12 ? -18.047 6.003 -4.842 1.00 96.53 12 A 1 ATOM 91 O OG1 . THR A 1 12 ? -17.978 4.595 -4.900 1.00 92.44 12 A 1 ATOM 92 C CG2 . THR A 1 12 ? -17.358 6.538 -6.100 1.00 90.63 12 A 1 ATOM 93 N N . ASP A 1 13 ? -17.829 5.208 -1.544 1.00 97.31 13 A 1 ATOM 94 C CA . ASP A 1 13 ? -18.603 4.627 -0.441 1.00 97.11 13 A 1 ATOM 95 C C . ASP A 1 13 ? -17.844 4.583 0.899 1.00 97.31 13 A 1 ATOM 96 O O . ASP A 1 13 ? -18.386 4.111 1.893 1.00 95.43 13 A 1 ATOM 97 C CB . ASP A 1 13 ? -19.070 3.223 -0.870 1.00 96.02 13 A 1 ATOM 98 C CG . ASP A 1 13 ? -17.934 2.227 -1.158 1.00 93.42 13 A 1 ATOM 99 O OD1 . ASP A 1 13 ? -16.745 2.585 -1.008 1.00 90.08 13 A 1 ATOM 100 O OD2 . ASP A 1 13 ? -18.255 1.086 -1.556 1.00 90.47 13 A 1 ATOM 101 N N . ASP A 1 14 ? -16.599 5.074 0.938 1.00 97.41 14 A 1 ATOM 102 C CA . ASP A 1 14 ? -15.688 4.994 2.098 1.00 97.13 14 A 1 ATOM 103 C C . ASP A 1 14 ? -15.388 3.547 2.569 1.00 97.56 14 A 1 ATOM 104 O O . ASP A 1 14 ? -14.867 3.316 3.662 1.00 96.47 14 A 1 ATOM 105 C CB . ASP A 1 14 ? -16.163 5.940 3.215 1.00 95.64 14 A 1 ATOM 106 C CG . ASP A 1 14 ? -15.078 6.233 4.252 1.00 85.45 14 A 1 ATOM 107 O OD1 . ASP A 1 14 ? -13.941 6.548 3.836 1.00 80.41 14 A 1 ATOM 108 O OD2 . ASP A 1 14 ? -15.384 6.144 5.468 1.00 78.67 14 A 1 ATOM 109 N N . ILE A 1 15 ? -15.693 2.562 1.721 1.00 98.03 15 A 1 ATOM 110 C CA . ILE A 1 15 ? -15.423 1.137 1.965 1.00 98.12 15 A 1 ATOM 111 C C . ILE A 1 15 ? -14.349 0.640 1.002 1.00 98.32 15 A 1 ATOM 112 O O . ILE A 1 15 ? -13.328 0.103 1.432 1.00 98.11 15 A 1 ATOM 113 C CB . ILE A 1 15 ? -16.721 0.304 1.857 1.00 97.86 15 A 1 ATOM 114 C CG1 . ILE A 1 15 ? -17.737 0.742 2.933 1.00 96.26 15 A 1 ATOM 115 C CG2 . ILE A 1 15 ? -16.405 -1.200 1.989 1.00 96.28 15 A 1 ATOM 116 C CD1 . ILE A 1 15 ? -19.123 0.107 2.778 1.00 89.55 15 A 1 ATOM 117 N N . VAL A 1 16 ? -14.559 0.824 -0.296 1.00 98.17 16 A 1 ATOM 118 C CA . VAL A 1 16 ? -13.611 0.432 -1.341 1.00 98.26 16 A 1 ATOM 119 C C . VAL A 1 16 ? -12.823 1.658 -1.782 1.00 98.33 16 A 1 ATOM 120 O O . VAL A 1 16 ? -13.372 2.600 -2.346 1.00 98.01 16 A 1 ATOM 121 C CB . VAL A 1 16 ? -14.311 -0.248 -2.526 1.00 97.94 16 A 1 ATOM 122 C CG1 . VAL A 1 16 ? -13.287 -0.736 -3.554 1.00 96.87 16 A 1 ATOM 123 C CG2 . VAL A 1 16 ? -15.135 -1.457 -2.068 1.00 97.16 16 A 1 ATOM 124 N N . HIS A 1 17 ? -11.520 1.634 -1.536 1.00 98.25 17 A 1 ATOM 125 C CA . HIS A 1 17 ? -10.592 2.697 -1.894 1.00 98.22 17 A 1 ATOM 126 C C . HIS A 1 17 ? -9.719 2.219 -3.048 1.00 98.17 17 A 1 ATOM 127 O O . HIS A 1 17 ? -8.841 1.378 -2.858 1.00 97.89 17 A 1 ATOM 128 C CB . HIS A 1 17 ? -9.754 3.074 -0.672 1.00 98.03 17 A 1 ATOM 129 C CG . HIS A 1 17 ? -10.571 3.483 0.519 1.00 97.60 17 A 1 ATOM 130 N ND1 . HIS A 1 17 ? -11.221 2.644 1.407 1.00 90.13 17 A 1 ATOM 131 C CD2 . HIS A 1 17 ? -10.823 4.767 0.920 1.00 91.64 17 A 1 ATOM 132 C CE1 . HIS A 1 17 ? -11.850 3.411 2.307 1.00 92.58 17 A 1 ATOM 133 N NE2 . HIS A 1 17 ? -11.620 4.707 2.057 1.00 93.47 17 A 1 ATOM 134 N N . GLU A 1 18 ? -9.944 2.752 -4.240 1.00 98.25 18 A 1 ATOM 135 C CA . GLU A 1 18 ? -9.085 2.512 -5.395 1.00 98.23 18 A 1 ATOM 136 C C . GLU A 1 18 ? -7.790 3.307 -5.248 1.00 98.12 18 A 1 ATOM 137 O O . GLU A 1 18 ? -7.819 4.513 -5.005 1.00 97.69 18 A 1 ATOM 138 C CB . GLU A 1 18 ? -9.832 2.899 -6.672 1.00 97.92 18 A 1 ATOM 139 C CG . GLU A 1 18 ? -8.965 2.677 -7.912 1.00 93.60 18 A 1 ATOM 140 C CD . GLU A 1 18 ? -9.687 3.049 -9.210 1.00 90.54 18 A 1 ATOM 141 O OE1 . GLU A 1 18 ? -9.012 3.516 -10.152 1.00 83.41 18 A 1 ATOM 142 O OE2 . GLU A 1 18 ? -10.890 2.754 -9.351 1.00 84.64 18 A 1 ATOM 143 N N . VAL A 1 19 ? -6.649 2.641 -5.422 1.00 97.74 19 A 1 ATOM 144 C CA . VAL A 1 19 ? -5.330 3.271 -5.346 1.00 97.60 19 A 1 ATOM 145 C C . VAL A 1 19 ? -4.713 3.335 -6.732 1.00 97.51 19 A 1 ATOM 146 O O . VAL A 1 19 ? -4.533 2.313 -7.400 1.00 97.26 19 A 1 ATOM 147 C CB . VAL A 1 19 ? -4.410 2.563 -4.342 1.00 97.31 19 A 1 ATOM 148 C CG1 . VAL A 1 19 ? -3.085 3.323 -4.189 1.00 96.67 19 A 1 ATOM 149 C CG2 . VAL A 1 19 ? -5.082 2.481 -2.962 1.00 96.71 19 A 1 ATOM 150 N N . ASN A 1 20 ? -4.355 4.550 -7.141 1.00 97.21 20 A 1 ATOM 151 C CA . ASN A 1 20 ? -3.670 4.840 -8.389 1.00 97.01 20 A 1 ATOM 152 C C . ASN A 1 20 ? -2.283 5.404 -8.085 1.00 96.42 20 A 1 ATOM 153 O O . ASN A 1 20 ? -2.147 6.344 -7.305 1.00 95.51 20 A 1 ATOM 154 C CB . ASN A 1 20 ? -4.518 5.807 -9.226 1.00 96.92 20 A 1 ATOM 155 C CG . ASN A 1 20 ? -5.852 5.207 -9.636 1.00 95.42 20 A 1 ATOM 156 O OD1 . ASN A 1 20 ? -5.914 4.359 -10.506 1.00 86.50 20 A 1 ATOM 157 N ND2 . ASN A 1 20 ? -6.945 5.610 -9.023 1.00 86.48 20 A 1 ATOM 158 N N . LEU A 1 21 ? -1.255 4.841 -8.715 1.00 96.64 21 A 1 ATOM 159 C CA . LEU A 1 21 ? 0.124 5.308 -8.651 1.00 96.08 21 A 1 ATOM 160 C C . LEU A 1 21 ? 0.523 5.810 -10.035 1.00 95.39 21 A 1 ATOM 161 O O . LEU A 1 21 ? 0.443 5.054 -11.002 1.00 93.95 21 A 1 ATOM 162 C CB . LEU A 1 21 ? 1.018 4.159 -8.164 1.00 95.38 21 A 1 ATOM 163 C CG . LEU A 1 21 ? 2.515 4.518 -8.076 1.00 94.20 21 A 1 ATOM 164 C CD1 . LEU A 1 21 ? 2.787 5.577 -7.006 1.00 92.67 21 A 1 ATOM 165 C CD2 . LEU A 1 21 ? 3.315 3.263 -7.722 1.00 92.32 21 A 1 ATOM 166 N N . GLU A 1 22 ? 0.929 7.081 -10.122 1.00 94.35 22 A 1 ATOM 167 C CA . GLU A 1 22 ? 1.336 7.724 -11.380 1.00 93.29 22 A 1 ATOM 168 C C . GLU A 1 22 ? 0.285 7.545 -12.500 1.00 93.71 22 A 1 ATOM 169 O O . GLU A 1 22 ? 0.591 7.238 -13.652 1.00 91.53 22 A 1 ATOM 170 C CB . GLU A 1 22 ? 2.758 7.284 -11.769 1.00 90.95 22 A 1 ATOM 171 C CG . GLU A 1 22 ? 3.791 7.645 -10.683 1.00 85.86 22 A 1 ATOM 172 C CD . GLU A 1 22 ? 5.229 7.237 -11.033 1.00 78.08 22 A 1 ATOM 173 O OE1 . GLU A 1 22 ? 6.144 7.697 -10.305 1.00 70.20 22 A 1 ATOM 174 O OE2 . GLU A 1 22 ? 5.429 6.452 -11.988 1.00 70.88 22 A 1 ATOM 175 N N . GLY A 1 23 ? -0.986 7.683 -12.142 1.00 92.31 23 A 1 ATOM 176 C CA . GLY A 1 23 ? -2.123 7.549 -13.060 1.00 92.34 23 A 1 ATOM 177 C C . GLY A 1 23 ? -2.523 6.113 -13.410 1.00 93.41 23 A 1 ATOM 178 O O . GLY A 1 23 ? -3.506 5.917 -14.132 1.00 91.67 23 A 1 ATOM 179 N N . LYS A 1 24 ? -1.823 5.090 -12.900 1.00 94.81 24 A 1 ATOM 180 C CA . LYS A 1 24 ? -2.155 3.677 -13.109 1.00 95.14 24 A 1 ATOM 181 C C . LYS A 1 24 ? -2.771 3.076 -11.851 1.00 96.17 24 A 1 ATOM 182 O O . LYS A 1 24 ? -2.189 3.151 -10.775 1.00 95.79 24 A 1 ATOM 183 C CB . LYS A 1 24 ? -0.901 2.916 -13.560 1.00 93.06 24 A 1 ATOM 184 C CG . LYS A 1 24 ? -1.232 1.476 -13.968 1.00 80.16 24 A 1 ATOM 185 C CD . LYS A 1 24 ? 0.026 0.700 -14.369 1.00 76.76 24 A 1 ATOM 186 C CE . LYS A 1 24 ? -0.354 -0.755 -14.656 1.00 64.57 24 A 1 ATOM 187 N NZ . LYS A 1 24 ? 0.837 -1.621 -14.850 1.00 58.52 24 A 1 ATOM 188 N N . ARG A 1 25 ? -3.915 2.410 -11.994 1.00 97.10 25 A 1 ATOM 189 C CA . ARG A 1 25 ? -4.501 1.611 -10.912 1.00 97.42 25 A 1 ATOM 190 C C . ARG A 1 25 ? -3.568 0.461 -10.545 1.00 97.27 25 A 1 ATOM 191 O O . ARG A 1 25 ? -3.198 -0.333 -11.409 1.00 96.59 25 A 1 ATOM 192 C CB . ARG A 1 25 ? -5.880 1.099 -11.333 1.00 97.08 25 A 1 ATOM 193 C CG . ARG A 1 25 ? -6.608 0.396 -10.176 1.00 93.26 25 A 1 ATOM 194 C CD . ARG A 1 25 ? -7.944 -0.199 -10.637 1.00 90.26 25 A 1 ATOM 195 N NE . ARG A 1 25 ? -8.879 0.848 -11.085 1.00 80.95 25 A 1 ATOM 196 C CZ . ARG A 1 25 ? -10.025 0.684 -11.724 1.00 76.04 25 A 1 ATOM 197 N NH1 . ARG A 1 25 ? -10.481 -0.492 -12.042 1.00 68.89 25 A 1 ATOM 198 N NH2 . ARG A 1 25 ? -10.736 1.727 -12.046 1.00 67.10 25 A 1 ATOM 199 N N . ILE A 1 26 ? -3.230 0.365 -9.256 1.00 97.37 26 A 1 ATOM 200 C CA . ILE A 1 26 ? -2.355 -0.685 -8.717 1.00 97.19 26 A 1 ATOM 201 C C . ILE A 1 26 ? -3.081 -1.634 -7.760 1.00 97.42 26 A 1 ATOM 202 O O . ILE A 1 26 ? -2.575 -2.711 -7.461 1.00 96.94 26 A 1 ATOM 203 C CB . ILE A 1 26 ? -1.088 -0.071 -8.083 1.00 96.65 26 A 1 ATOM 204 C CG1 . ILE A 1 26 ? -1.406 0.896 -6.923 1.00 95.75 26 A 1 ATOM 205 C CG2 . ILE A 1 26 ? -0.247 0.624 -9.175 1.00 94.65 26 A 1 ATOM 206 C CD1 . ILE A 1 26 ? -0.167 1.257 -6.093 1.00 94.58 26 A 1 ATOM 207 N N . GLY A 1 27 ? -4.272 -1.273 -7.294 1.00 97.80 27 A 1 ATOM 208 C CA . GLY A 1 27 ? -5.066 -2.131 -6.426 1.00 97.87 27 A 1 ATOM 209 C C . GLY A 1 27 ? -6.126 -1.381 -5.635 1.00 98.19 27 A 1 ATOM 210 O O . GLY A 1 27 ? -6.534 -0.271 -5.996 1.00 97.94 27 A 1 ATOM 211 N N . TYR A 1 28 ? -6.560 -2.004 -4.544 1.00 98.34 28 A 1 ATOM 212 C CA . TYR A 1 28 ? -7.597 -1.490 -3.662 1.00 98.43 28 A 1 ATOM 213 C C . TYR A 1 28 ? -7.196 -1.648 -2.197 1.00 98.48 28 A 1 ATOM 214 O O . TYR A 1 28 ? -6.481 -2.581 -1.825 1.00 98.13 28 A 1 ATOM 215 C CB . TYR A 1 28 ? -8.923 -2.208 -3.939 1.00 98.24 28 A 1 ATOM 216 C CG . TYR A 1 28 ? -9.392 -2.119 -5.378 1.00 97.93 28 A 1 ATOM 217 C CD1 . TYR A 1 28 ? -10.220 -1.057 -5.792 1.00 96.19 28 A 1 ATOM 218 C CD2 . TYR A 1 28 ? -8.986 -3.089 -6.317 1.00 95.99 28 A 1 ATOM 219 C CE1 . TYR A 1 28 ? -10.647 -0.967 -7.125 1.00 94.50 28 A 1 ATOM 220 C CE2 . TYR A 1 28 ? -9.403 -3.004 -7.658 1.00 94.46 28 A 1 ATOM 221 C CZ . TYR A 1 28 ? -10.239 -1.942 -8.056 1.00 95.04 28 A 1 ATOM 222 O OH . TYR A 1 28 ? -10.659 -1.869 -9.361 1.00 93.02 28 A 1 ATOM 223 N N . VAL A 1 29 ? -7.704 -0.761 -1.354 1.00 98.07 29 A 1 ATOM 224 C CA . VAL A 1 29 ? -7.731 -0.952 0.098 1.00 98.15 29 A 1 ATOM 225 C C . VAL A 1 29 ? -9.190 -0.967 0.533 1.00 98.20 29 A 1 ATOM 226 O O . VAL A 1 29 ? -9.908 0.010 0.348 1.00 98.00 29 A 1 ATOM 227 C CB . VAL A 1 29 ? -6.917 0.112 0.847 1.00 97.87 29 A 1 ATOM 228 C CG1 . VAL A 1 29 ? -6.885 -0.202 2.347 1.00 96.93 29 A 1 ATOM 229 C CG2 . VAL A 1 29 ? -5.468 0.168 0.352 1.00 97.01 29 A 1 ATOM 230 N N . ILE A 1 30 ? -9.631 -2.087 1.081 1.00 98.37 30 A 1 ATOM 231 C CA . ILE A 1 30 ? -11.031 -2.323 1.427 1.00 98.37 30 A 1 ATOM 232 C C . ILE A 1 30 ? -11.177 -2.275 2.944 1.00 98.35 30 A 1 ATOM 233 O O . ILE A 1 30 ? -10.474 -2.981 3.665 1.00 98.09 30 A 1 ATOM 234 C CB . ILE A 1 30 ? -11.536 -3.652 0.823 1.00 98.11 30 A 1 ATOM 235 C CG1 . ILE A 1 30 ? -11.265 -3.698 -0.703 1.00 97.24 30 A 1 ATOM 236 C CG2 . ILE A 1 30 ? -13.034 -3.824 1.126 1.00 97.35 30 A 1 ATOM 237 C CD1 . ILE A 1 30 ? -11.709 -4.991 -1.393 1.00 94.18 30 A 1 ATOM 238 N N . LYS A 1 31 ? -12.102 -1.456 3.425 1.00 98.29 31 A 1 ATOM 239 C CA . LYS A 1 31 ? -12.482 -1.416 4.834 1.00 98.22 31 A 1 ATOM 240 C C . LYS A 1 31 ? -13.283 -2.666 5.186 1.00 98.14 31 A 1 ATOM 241 O O . LYS A 1 31 ? -14.173 -3.080 4.449 1.00 97.59 31 A 1 ATOM 242 C CB . LYS A 1 31 ? -13.255 -0.116 5.085 1.00 97.74 31 A 1 ATOM 243 C CG . LYS A 1 31 ? -13.460 0.209 6.571 1.00 93.96 31 A 1 ATOM 244 C CD . LYS A 1 31 ? -14.141 1.581 6.632 1.00 90.23 31 A 1 ATOM 245 C CE . LYS A 1 31 ? -14.346 2.120 8.041 1.00 81.81 31 A 1 ATOM 246 N NZ . LYS A 1 31 ? -14.919 3.491 7.946 1.00 72.68 31 A 1 ATOM 247 N N . THR A 1 32 ? -12.956 -3.273 6.322 1.00 97.81 32 A 1 ATOM 248 C CA . THR A 1 32 ? -13.605 -4.491 6.814 1.00 97.38 32 A 1 ATOM 249 C C . THR A 1 32 ? -14.067 -4.306 8.260 1.00 97.11 32 A 1 ATOM 250 O O . THR A 1 32 ? -13.760 -3.306 8.911 1.00 95.19 32 A 1 ATOM 251 C CB . THR A 1 32 ? -12.680 -5.719 6.686 1.00 96.36 32 A 1 ATOM 252 O OG1 . THR A 1 32 ? -11.663 -5.690 7.658 1.00 93.53 32 A 1 ATOM 253 C CG2 . THR A 1 32 ? -12.010 -5.861 5.319 1.00 92.90 32 A 1 ATOM 254 N N . GLU A 1 33 ? -14.761 -5.289 8.797 1.00 96.97 33 A 1 ATOM 255 C CA . GLU A 1 33 ? -15.184 -5.319 10.205 1.00 96.53 33 A 1 ATOM 256 C C . GLU A 1 33 ? -14.128 -5.945 11.137 1.00 96.82 33 A 1 ATOM 257 O O . GLU A 1 33 ? -14.377 -6.158 12.326 1.00 95.03 33 A 1 ATOM 258 C CB . GLU A 1 33 ? -16.528 -6.042 10.324 1.00 95.40 33 A 1 ATOM 259 C CG . GLU A 1 33 ? -17.635 -5.365 9.498 1.00 89.01 33 A 1 ATOM 260 C CD . GLU A 1 33 ? -19.014 -5.991 9.738 1.00 79.61 33 A 1 ATOM 261 O OE1 . GLU A 1 33 ? -20.009 -5.319 9.392 1.00 72.72 33 A 1 ATOM 262 O OE2 . GLU A 1 33 ? -19.076 -7.128 10.270 1.00 73.12 33 A 1 ATOM 263 N N . ASN A 1 34 ? -12.930 -6.254 10.630 1.00 96.68 34 A 1 ATOM 264 C CA . ASN A 1 34 ? -11.856 -6.810 11.448 1.00 96.80 34 A 1 ATOM 265 C C . ASN A 1 34 ? -11.401 -5.777 12.494 1.00 97.21 34 A 1 ATOM 266 O O . ASN A 1 34 ? -10.985 -4.670 12.163 1.00 96.57 34 A 1 ATOM 267 C CB . ASN A 1 34 ? -10.711 -7.286 10.542 1.00 95.62 34 A 1 ATOM 268 C CG . ASN A 1 34 ? -9.631 -8.030 11.316 1.00 92.83 34 A 1 ATOM 269 O OD1 . ASN A 1 34 ? -9.207 -7.643 12.389 1.00 85.16 34 A 1 ATOM 270 N ND2 . ASN A 1 34 ? -9.165 -9.146 10.792 1.00 83.86 34 A 1 ATOM 271 N N . LYS A 1 35 ? -11.447 -6.152 13.773 1.00 97.03 35 A 1 ATOM 272 C CA . LYS A 1 35 ? -11.157 -5.233 14.886 1.00 97.12 35 A 1 ATOM 273 C C . LYS A 1 35 ? -9.679 -4.856 15.004 1.00 97.21 35 A 1 ATOM 274 O O . LYS A 1 35 ? -9.367 -3.749 15.430 1.00 95.88 35 A 1 ATOM 275 C CB . LYS A 1 35 ? -11.647 -5.844 16.202 1.00 96.64 35 A 1 ATOM 276 C CG . LYS A 1 35 ? -13.174 -5.975 16.245 1.00 90.06 35 A 1 ATOM 277 C CD . LYS A 1 35 ? -13.624 -6.506 17.607 1.00 81.03 35 A 1 ATOM 278 C CE . LYS A 1 35 ? -15.147 -6.611 17.631 1.00 72.72 35 A 1 ATOM 279 N NZ . LYS A 1 35 ? -15.646 -7.161 18.917 1.00 62.20 35 A 1 ATOM 280 N N . GLU A 1 36 ? -8.770 -5.774 14.662 1.00 96.65 36 A 1 ATOM 281 C CA . GLU A 1 36 ? -7.324 -5.559 14.818 1.00 96.43 36 A 1 ATOM 282 C C . GLU A 1 36 ? -6.705 -4.902 13.583 1.00 96.68 36 A 1 ATOM 283 O O . GLU A 1 36 ? -5.820 -4.047 13.694 1.00 95.27 36 A 1 ATOM 284 C CB . GLU A 1 36 ? -6.625 -6.894 15.093 1.00 95.43 36 A 1 ATOM 285 C CG . GLU A 1 36 ? -7.064 -7.527 16.421 1.00 85.67 36 A 1 ATOM 286 C CD . GLU A 1 36 ? -6.251 -8.775 16.784 1.00 76.56 36 A 1 ATOM 287 O OE1 . GLU A 1 36 ? -6.390 -9.216 17.947 1.00 69.21 36 A 1 ATOM 288 O OE2 . GLU A 1 36 ? -5.498 -9.277 15.919 1.00 69.72 36 A 1 ATOM 289 N N . THR A 1 37 ? -7.177 -5.309 12.413 1.00 97.03 37 A 1 ATOM 290 C CA . THR A 1 37 ? -6.693 -4.864 11.103 1.00 97.22 37 A 1 ATOM 291 C C . THR A 1 37 ? -7.893 -4.528 10.212 1.00 97.78 37 A 1 ATOM 292 O O . THR A 1 37 ? -8.294 -5.340 9.375 1.00 97.06 37 A 1 ATOM 293 C CB . THR A 1 37 ? -5.790 -5.931 10.460 1.00 96.03 37 A 1 ATOM 294 O OG1 . THR A 1 37 ? -6.408 -7.199 10.463 1.00 92.86 37 A 1 ATOM 295 C CG2 . THR A 1 37 ? -4.460 -6.067 11.195 1.00 91.18 37 A 1 ATOM 296 N N . PRO A 1 38 ? -8.504 -3.341 10.397 1.00 97.61 38 A 1 ATOM 297 C CA . PRO A 1 38 ? -9.784 -2.986 9.776 1.00 97.74 38 A 1 ATOM 298 C C . PRO A 1 38 ? -9.711 -2.691 8.276 1.00 97.90 38 A 1 ATOM 299 O O . PRO A 1 38 ? -10.718 -2.295 7.692 1.00 97.07 38 A 1 ATOM 300 C CB . PRO A 1 38 ? -10.290 -1.783 10.578 1.00 96.97 38 A 1 ATOM 301 C CG . PRO A 1 38 ? -9.007 -1.114 11.058 1.00 94.14 38 A 1 ATOM 302 C CD . PRO A 1 38 ? -8.101 -2.308 11.342 1.00 96.73 38 A 1 ATOM 303 N N . PHE A 1 39 ? -8.558 -2.867 7.648 1.00 98.21 39 A 1 ATOM 304 C CA . PHE A 1 39 ? -8.385 -2.688 6.212 1.00 98.15 39 A 1 ATOM 305 C C . PHE A 1 39 ? -7.697 -3.901 5.597 1.00 97.87 39 A 1 ATOM 306 O O . PHE A 1 39 ? -6.804 -4.498 6.197 1.00 97.20 39 A 1 ATOM 307 C CB . PHE A 1 39 ? -7.603 -1.403 5.923 1.00 98.07 39 A 1 ATOM 308 C CG . PHE A 1 39 ? -8.311 -0.141 6.364 1.00 98.12 39 A 1 ATOM 309 C CD1 . PHE A 1 39 ? -9.198 0.514 5.492 1.00 97.42 39 A 1 ATOM 310 C CD2 . PHE A 1 39 ? -8.105 0.371 7.659 1.00 97.54 39 A 1 ATOM 311 C CE1 . PHE A 1 39 ? -9.874 1.669 5.903 1.00 96.91 39 A 1 ATOM 312 C CE2 . PHE A 1 39 ? -8.784 1.527 8.079 1.00 96.85 39 A 1 ATOM 313 C CZ . PHE A 1 39 ? -9.668 2.176 7.199 1.00 96.89 39 A 1 ATOM 314 N N . THR A 1 40 ? -8.086 -4.248 4.374 1.00 97.98 40 A 1 ATOM 315 C CA . THR A 1 40 ? -7.457 -5.303 3.575 1.00 97.95 40 A 1 ATOM 316 C C . THR A 1 40 ? -6.952 -4.713 2.270 1.00 98.15 40 A 1 ATOM 317 O O . THR A 1 40 ? -7.722 -4.144 1.500 1.00 97.78 40 A 1 ATOM 318 C CB . THR A 1 40 ? -8.426 -6.465 3.322 1.00 97.06 40 A 1 ATOM 319 O OG1 . THR A 1 40 ? -8.777 -7.048 4.557 1.00 90.79 40 A 1 ATOM 320 C CG2 . THR A 1 40 ? -7.805 -7.576 2.483 1.00 87.59 40 A 1 ATOM 321 N N . VAL A 1 41 ? -5.659 -4.877 2.005 1.00 97.70 41 A 1 ATOM 322 C CA . VAL A 1 41 ? -5.042 -4.550 0.718 1.00 97.63 41 A 1 ATOM 323 C C . VAL A 1 41 ? -5.353 -5.662 -0.273 1.00 97.65 41 A 1 ATOM 324 O O . VAL A 1 41 ? -5.143 -6.839 0.025 1.00 97.03 41 A 1 ATOM 325 C CB . VAL A 1 41 ? -3.522 -4.354 0.861 1.00 96.62 41 A 1 ATOM 326 C CG1 . VAL A 1 41 ? -2.836 -4.090 -0.482 1.00 94.12 41 A 1 ATOM 327 C CG2 . VAL A 1 41 ? -3.216 -3.168 1.780 1.00 94.66 41 A 1 ATOM 328 N N . VAL A 1 42 ? -5.801 -5.280 -1.462 1.00 97.81 42 A 1 ATOM 329 C CA . VAL A 1 42 ? -5.947 -6.151 -2.632 1.00 97.77 42 A 1 ATOM 330 C C . VAL A 1 42 ? -5.094 -5.554 -3.743 1.00 97.84 42 A 1 ATOM 331 O O . VAL A 1 42 ? -5.528 -4.664 -4.470 1.00 97.23 42 A 1 ATOM 332 C CB . VAL A 1 42 ? -7.423 -6.301 -3.047 1.00 97.08 42 A 1 ATOM 333 C CG1 . VAL A 1 42 ? -7.559 -7.278 -4.219 1.00 93.74 42 A 1 ATOM 334 C CG2 . VAL A 1 42 ? -8.284 -6.830 -1.891 1.00 94.30 42 A 1 ATOM 335 N N . ASP A 1 43 ? -3.854 -6.017 -3.831 1.00 97.14 43 A 1 ATOM 336 C CA . ASP A 1 43 ? -2.891 -5.581 -4.841 1.00 96.92 43 A 1 ATOM 337 C C . ASP A 1 43 ? -3.054 -6.429 -6.109 1.00 96.42 43 A 1 ATOM 338 O O . ASP A 1 43 ? -3.234 -7.645 -6.027 1.00 94.58 43 A 1 ATOM 339 C CB . ASP A 1 43 ? -1.486 -5.664 -4.237 1.00 95.57 43 A 1 ATOM 340 C CG . ASP A 1 43 ? -0.406 -4.985 -5.082 1.00 93.58 43 A 1 ATOM 341 O OD1 . ASP A 1 43 ? -0.285 -5.329 -6.273 1.00 89.43 43 A 1 ATOM 342 O OD2 . ASP A 1 43 ? 0.347 -4.156 -4.534 1.00 88.03 43 A 1 ATOM 343 N N . ILE A 1 44 ? -3.006 -5.794 -7.288 1.00 96.05 44 A 1 ATOM 344 C CA . ILE A 1 44 ? -3.180 -6.465 -8.584 1.00 95.08 44 A 1 ATOM 345 C C . ILE A 1 44 ? -2.001 -7.405 -8.877 1.00 93.78 44 A 1 ATOM 346 O O . ILE A 1 44 ? -2.210 -8.546 -9.285 1.00 90.85 44 A 1 ATOM 347 C CB . ILE A 1 44 ? -3.384 -5.412 -9.705 1.00 94.06 44 A 1 ATOM 348 C CG1 . ILE A 1 44 ? -4.736 -4.682 -9.497 1.00 88.69 44 A 1 ATOM 349 C CG2 . ILE A 1 44 ? -3.345 -6.067 -11.101 1.00 86.77 44 A 1 ATOM 350 C CD1 . ILE A 1 44 ? -4.964 -3.482 -10.431 1.00 82.80 44 A 1 ATOM 351 N N . ASP A 1 45 ? -0.778 -6.941 -8.642 1.00 93.98 45 A 1 ATOM 352 C CA . ASP A 1 45 ? 0.460 -7.651 -8.996 1.00 91.81 45 A 1 ATOM 353 C C . ASP A 1 45 ? 1.364 -7.943 -7.785 1.00 90.86 45 A 1 ATOM 354 O O . ASP A 1 45 ? 2.469 -8.494 -7.925 1.00 83.55 45 A 1 ATOM 355 C CB . ASP A 1 45 ? 1.230 -6.814 -10.033 1.00 88.50 45 A 1 ATOM 356 C CG . ASP A 1 45 ? 0.568 -6.697 -11.411 1.00 79.47 45 A 1 ATOM 357 O OD1 . ASP A 1 45 ? 0.004 -7.709 -11.884 1.00 73.97 45 A 1 ATOM 358 O OD2 . ASP A 1 45 ? 0.730 -5.617 -12.029 1.00 74.68 45 A 1 ATOM 359 N N . GLY A 1 46 ? 0.955 -7.541 -6.598 1.00 91.68 46 A 1 ATOM 360 C CA . GLY A 1 46 ? 1.731 -7.599 -5.366 1.00 90.59 46 A 1 ATOM 361 C C . GLY A 1 46 ? 1.070 -8.415 -4.255 1.00 91.97 46 A 1 ATOM 362 O O . GLY A 1 46 ? 0.076 -9.109 -4.469 1.00 89.74 46 A 1 ATOM 363 N N . PRO A 1 47 ? 1.641 -8.361 -3.046 1.00 91.34 47 A 1 ATOM 364 C CA . PRO A 1 47 ? 1.077 -9.055 -1.899 1.00 91.56 47 A 1 ATOM 365 C C . PRO A 1 47 ? -0.213 -8.366 -1.432 1.00 93.30 47 A 1 ATOM 366 O O . PRO A 1 47 ? -0.256 -7.155 -1.214 1.00 90.54 47 A 1 ATOM 367 C CB . PRO A 1 47 ? 2.180 -9.029 -0.839 1.00 88.44 47 A 1 ATOM 368 C CG . PRO A 1 47 ? 2.951 -7.748 -1.155 1.00 85.28 47 A 1 ATOM 369 C CD . PRO A 1 47 ? 2.852 -7.651 -2.675 1.00 88.35 47 A 1 ATOM 370 N N . SER A 1 48 ? -1.237 -9.171 -1.203 1.00 92.89 48 A 1 ATOM 371 C CA . SER A 1 48 ? -2.465 -8.756 -0.532 1.00 93.96 48 A 1 ATOM 372 C C . SER A 1 48 ? -2.427 -9.145 0.950 1.00 94.00 48 A 1 ATOM 373 O O . SER A 1 48 ? -1.755 -10.106 1.334 1.00 91.12 48 A 1 ATOM 374 C CB . SER A 1 48 ? -3.679 -9.366 -1.233 1.00 92.31 48 A 1 ATOM 375 O OG . SER A 1 48 ? -3.736 -8.923 -2.581 1.00 84.05 48 A 1 ATOM 376 N N . GLY A 1 49 ? -3.138 -8.411 1.794 1.00 94.57 49 A 1 ATOM 377 C CA . GLY A 1 49 ? -3.190 -8.729 3.215 1.00 94.51 49 A 1 ATOM 378 C C . GLY A 1 49 ? -3.799 -7.630 4.079 1.00 96.07 49 A 1 ATOM 379 O O . GLY A 1 49 ? -4.073 -6.524 3.620 1.00 95.40 49 A 1 ATOM 380 N N . ASN A 1 50 ? -3.987 -7.949 5.354 1.00 96.46 50 A 1 ATOM 381 C CA . ASN A 1 50 ? -4.626 -7.049 6.301 1.00 96.50 50 A 1 ATOM 382 C C . ASN A 1 50 ? -3.651 -5.988 6.822 1.00 96.09 50 A 1 ATOM 383 O O . ASN A 1 50 ? -2.476 -6.265 7.074 1.00 94.70 50 A 1 ATOM 384 C CB . ASN A 1 50 ? -5.239 -7.868 7.440 1.00 95.92 50 A 1 ATOM 385 C CG . ASN A 1 50 ? -6.356 -8.793 6.990 1.00 93.59 50 A 1 ATOM 386 O OD1 . ASN A 1 50 ? -6.905 -8.697 5.910 1.00 85.90 50 A 1 ATOM 387 N ND2 . ASN A 1 50 ? -6.726 -9.745 7.820 1.00 85.14 50 A 1 ATOM 388 N N . VAL A 1 51 ? -4.169 -4.775 7.031 1.00 96.30 51 A 1 ATOM 389 C CA . VAL A 1 51 ? -3.431 -3.624 7.565 1.00 96.56 51 A 1 ATOM 390 C C . VAL A 1 51 ? -4.289 -2.860 8.575 1.00 96.98 51 A 1 ATOM 391 O O . VAL A 1 51 ? -5.517 -2.961 8.582 1.00 96.91 51 A 1 ATOM 392 C CB . VAL A 1 51 ? -2.936 -2.688 6.444 1.00 96.07 51 A 1 ATOM 393 C CG1 . VAL A 1 51 ? -1.928 -3.386 5.529 1.00 94.45 51 A 1 ATOM 394 C CG2 . VAL A 1 51 ? -4.074 -2.128 5.584 1.00 94.45 51 A 1 ATOM 395 N N . LYS A 1 52 ? -3.631 -2.079 9.443 1.00 96.14 52 A 1 ATOM 396 C CA . LYS A 1 52 ? -4.317 -1.348 10.522 1.00 96.26 52 A 1 ATOM 397 C C . LYS A 1 52 ? -4.987 -0.061 10.051 1.00 96.57 52 A 1 ATOM 398 O O . LYS A 1 52 ? -5.993 0.347 10.623 1.00 95.97 52 A 1 ATOM 399 C CB . LYS A 1 52 ? -3.337 -1.048 11.656 1.00 95.62 52 A 1 ATOM 400 C CG . LYS A 1 52 ? -2.854 -2.336 12.339 1.00 91.46 52 A 1 ATOM 401 C CD . LYS A 1 52 ? -1.987 -2.004 13.552 1.00 86.80 52 A 1 ATOM 402 C CE . LYS A 1 52 ? -1.590 -3.306 14.242 1.00 78.74 52 A 1 ATOM 403 N NZ . LYS A 1 52 ? -0.818 -3.066 15.481 1.00 69.21 52 A 1 ATOM 404 N N . THR A 1 53 ? -4.429 0.586 9.038 1.00 96.17 53 A 1 ATOM 405 C CA . THR A 1 53 ? -4.920 1.878 8.544 1.00 96.13 53 A 1 ATOM 406 C C . THR A 1 53 ? -4.956 1.909 7.019 1.00 96.19 53 A 1 ATOM 407 O O . THR A 1 53 ? -4.207 1.187 6.354 1.00 95.90 53 A 1 ATOM 408 C CB . THR A 1 53 ? -4.087 3.060 9.078 1.00 95.49 53 A 1 ATOM 409 O OG1 . THR A 1 53 ? -2.799 3.066 8.524 1.00 93.78 53 A 1 ATOM 410 C CG2 . THR A 1 53 ? -3.934 3.059 10.598 1.00 93.01 53 A 1 ATOM 411 N N . LEU A 1 54 ? -5.797 2.778 6.463 1.00 96.45 54 A 1 ATOM 412 C CA . LEU A 1 54 ? -5.840 3.046 5.024 1.00 96.37 54 A 1 ATOM 413 C C . LEU A 1 54 ? -4.480 3.539 4.515 1.00 95.68 54 A 1 ATOM 414 O O . LEU A 1 54 ? -3.958 2.997 3.546 1.00 95.49 54 A 1 ATOM 415 C CB . LEU A 1 54 ? -6.957 4.073 4.755 1.00 96.73 54 A 1 ATOM 416 C CG . LEU A 1 54 ? -7.045 4.549 3.292 1.00 96.28 54 A 1 ATOM 417 C CD1 . LEU A 1 54 ? -7.363 3.404 2.333 1.00 95.22 54 A 1 ATOM 418 C CD2 . LEU A 1 54 ? -8.145 5.604 3.164 1.00 95.17 54 A 1 ATOM 419 N N . ASP A 1 55 ? -3.883 4.506 5.198 1.00 95.03 55 A 1 ATOM 420 C CA . ASP A 1 55 ? -2.597 5.102 4.817 1.00 93.89 55 A 1 ATOM 421 C C . ASP A 1 55 ? -1.464 4.064 4.786 1.00 93.72 55 A 1 ATOM 422 O O . ASP A 1 55 ? -0.685 4.011 3.835 1.00 92.91 55 A 1 ATOM 423 C CB . ASP A 1 55 ? -2.284 6.242 5.794 1.00 92.01 55 A 1 ATOM 424 C CG . ASP A 1 55 ? -0.991 6.968 5.433 1.00 79.63 55 A 1 ATOM 425 O OD1 . ASP A 1 55 ? -0.926 7.594 4.353 1.00 71.65 55 A 1 ATOM 426 O OD2 . ASP A 1 55 ? -0.031 6.906 6.232 1.00 72.83 55 A 1 ATOM 427 N N . GLU A 1 56 ? -1.413 3.159 5.761 1.00 93.39 56 A 1 ATOM 428 C CA . GLU A 1 56 ? -0.457 2.047 5.780 1.00 92.99 56 A 1 ATOM 429 C C . GLU A 1 56 ? -0.634 1.129 4.562 1.00 93.40 56 A 1 ATOM 430 O O . GLU A 1 56 ? 0.350 0.743 3.922 1.00 92.87 56 A 1 ATOM 431 C CB . GLU A 1 56 ? -0.642 1.252 7.084 1.00 91.78 56 A 1 ATOM 432 C CG . GLU A 1 56 ? 0.398 0.136 7.252 1.00 84.35 56 A 1 ATOM 433 C CD . GLU A 1 56 ? 0.117 -0.793 8.451 1.00 80.99 56 A 1 ATOM 434 O OE1 . GLU A 1 56 ? 0.775 -1.856 8.511 1.00 76.79 56 A 1 ATOM 435 O OE2 . GLU A 1 56 ? -0.768 -0.497 9.284 1.00 78.11 56 A 1 ATOM 436 N N . GLY A 1 57 ? -1.879 0.796 4.211 1.00 94.24 57 A 1 ATOM 437 C CA . GLY A 1 57 ? -2.191 -0.021 3.042 1.00 94.83 57 A 1 ATOM 438 C C . GLY A 1 57 ? -1.756 0.637 1.735 1.00 95.11 57 A 1 ATOM 439 O O . GLY A 1 57 ? -1.063 0.013 0.929 1.00 95.00 57 A 1 ATOM 440 N N . VAL A 1 58 ? -2.088 1.908 1.556 1.00 95.50 58 A 1 ATOM 441 C CA . VAL A 1 58 ? -1.710 2.700 0.376 1.00 95.50 58 A 1 ATOM 442 C C . VAL A 1 58 ? -0.189 2.795 0.255 1.00 94.90 58 A 1 ATOM 443 O O . VAL A 1 58 ? 0.360 2.472 -0.799 1.00 94.43 58 A 1 ATOM 444 C CB . VAL A 1 58 ? -2.348 4.103 0.433 1.00 95.82 58 A 1 ATOM 445 C CG1 . VAL A 1 58 ? -1.868 5.009 -0.707 1.00 95.46 58 A 1 ATOM 446 C CG2 . VAL A 1 58 ? -3.874 4.010 0.331 1.00 95.54 58 A 1 ATOM 447 N N . LYS A 1 59 ? 0.510 3.162 1.330 1.00 94.15 59 A 1 ATOM 448 C CA . LYS A 1 59 ? 1.973 3.275 1.341 1.00 93.21 59 A 1 ATOM 449 C C . LYS A 1 59 ? 2.643 1.959 0.972 1.00 93.13 59 A 1 ATOM 450 O O . LYS A 1 59 ? 3.470 1.938 0.061 1.00 92.37 59 A 1 ATOM 451 C CB . LYS A 1 59 ? 2.465 3.748 2.713 1.00 91.45 59 A 1 ATOM 452 C CG . LYS A 1 59 ? 2.298 5.259 2.884 1.00 83.38 59 A 1 ATOM 453 C CD . LYS A 1 59 ? 2.680 5.664 4.310 1.00 80.00 59 A 1 ATOM 454 C CE . LYS A 1 59 ? 2.612 7.185 4.443 1.00 69.74 59 A 1 ATOM 455 N NZ . LYS A 1 59 ? 2.607 7.600 5.864 1.00 64.09 59 A 1 ATOM 456 N N . LYS A 1 60 ? 2.282 0.856 1.625 1.00 92.83 60 A 1 ATOM 457 C CA . LYS A 1 60 ? 2.869 -0.460 1.343 1.00 92.33 60 A 1 ATOM 458 C C . LYS A 1 60 ? 2.695 -0.858 -0.118 1.00 92.70 60 A 1 ATOM 459 O O . LYS A 1 60 ? 3.666 -1.269 -0.754 1.00 91.97 60 A 1 ATOM 460 C CB . LYS A 1 60 ? 2.257 -1.521 2.261 1.00 90.87 60 A 1 ATOM 461 C CG . LYS A 1 60 ? 2.858 -1.443 3.670 1.00 81.59 60 A 1 ATOM 462 C CD . LYS A 1 60 ? 2.207 -2.482 4.588 1.00 79.35 60 A 1 ATOM 463 C CE . LYS A 1 60 ? 2.907 -2.458 5.944 1.00 70.56 60 A 1 ATOM 464 N NZ . LYS A 1 60 ? 2.259 -3.366 6.915 1.00 64.88 60 A 1 ATOM 465 N N . MET A 1 61 ? 1.499 -0.682 -0.660 1.00 94.15 61 A 1 ATOM 466 C CA . MET A 1 61 ? 1.212 -1.022 -2.052 1.00 94.84 61 A 1 ATOM 467 C C . MET A 1 61 ? 2.023 -0.155 -3.028 1.00 94.66 61 A 1 ATOM 468 O O . MET A 1 61 ? 2.710 -0.695 -3.898 1.00 94.00 61 A 1 ATOM 469 C CB . MET A 1 61 ? -0.297 -0.914 -2.265 1.00 94.98 61 A 1 ATOM 470 C CG . MET A 1 61 ? -0.727 -1.373 -3.655 1.00 89.08 61 A 1 ATOM 471 S SD . MET A 1 61 ? -2.513 -1.702 -3.801 1.00 89.56 61 A 1 ATOM 472 C CE . MET A 1 61 ? -3.198 -0.193 -3.093 1.00 83.20 61 A 1 ATOM 473 N N . CYS A 1 62 ? 2.056 1.166 -2.836 1.00 94.84 62 A 1 ATOM 474 C CA . CYS A 1 62 ? 2.859 2.069 -3.663 1.00 94.68 62 A 1 ATOM 475 C C . CYS A 1 62 ? 4.350 1.706 -3.625 1.00 94.05 62 A 1 ATOM 476 O O . CYS A 1 62 ? 4.990 1.614 -4.668 1.00 93.39 62 A 1 ATOM 477 C CB . CYS A 1 62 ? 2.654 3.518 -3.200 1.00 95.12 62 A 1 ATOM 478 S SG . CYS A 1 62 ? 0.969 4.083 -3.589 1.00 94.73 62 A 1 ATOM 479 N N . LEU A 1 63 ? 4.904 1.440 -2.443 1.00 93.58 63 A 1 ATOM 480 C CA . LEU A 1 63 ? 6.316 1.087 -2.286 1.00 92.72 63 A 1 ATOM 481 C C . LEU A 1 63 ? 6.669 -0.225 -2.997 1.00 92.59 63 A 1 ATOM 482 O O . LEU A 1 63 ? 7.716 -0.306 -3.640 1.00 91.59 63 A 1 ATOM 483 C CB . LEU A 1 63 ? 6.656 1.008 -0.790 1.00 91.43 63 A 1 ATOM 484 C CG . LEU A 1 63 ? 6.664 2.366 -0.062 1.00 88.74 63 A 1 ATOM 485 C CD1 . LEU A 1 63 ? 6.845 2.138 1.437 1.00 86.63 63 A 1 ATOM 486 C CD2 . LEU A 1 63 ? 7.774 3.289 -0.552 1.00 86.32 63 A 1 ATOM 487 N N . VAL A 1 64 ? 5.797 -1.234 -2.948 1.00 92.50 64 A 1 ATOM 488 C CA . VAL A 1 64 ? 5.995 -2.495 -3.679 1.00 92.16 64 A 1 ATOM 489 C C . VAL A 1 64 ? 6.042 -2.249 -5.188 1.00 92.32 64 A 1 ATOM 490 O O . VAL A 1 64 ? 6.963 -2.724 -5.855 1.00 91.62 64 A 1 ATOM 491 C CB . VAL A 1 64 ? 4.908 -3.523 -3.308 1.00 91.41 64 A 1 ATOM 492 C CG1 . VAL A 1 64 ? 4.901 -4.737 -4.248 1.00 88.84 64 A 1 ATOM 493 C CG2 . VAL A 1 64 ? 5.137 -4.048 -1.888 1.00 89.40 64 A 1 ATOM 494 N N . HIS A 1 65 ? 5.102 -1.470 -5.724 1.00 93.76 65 A 1 ATOM 495 C CA . HIS A 1 65 ? 5.054 -1.168 -7.157 1.00 93.75 65 A 1 ATOM 496 C C . HIS A 1 65 ? 6.248 -0.334 -7.620 1.00 93.18 65 A 1 ATOM 497 O O . HIS A 1 65 ? 6.853 -0.648 -8.647 1.00 91.45 65 A 1 ATOM 498 C CB . HIS A 1 65 ? 3.726 -0.482 -7.493 1.00 93.78 65 A 1 ATOM 499 C CG . HIS A 1 65 ? 2.635 -1.481 -7.732 1.00 91.73 65 A 1 ATOM 500 N ND1 . HIS A 1 65 ? 2.264 -1.990 -8.975 1.00 80.06 65 A 1 ATOM 501 C CD2 . HIS A 1 65 ? 1.904 -2.120 -6.773 1.00 81.61 65 A 1 ATOM 502 C CE1 . HIS A 1 65 ? 1.329 -2.914 -8.756 1.00 84.21 65 A 1 ATOM 503 N NE2 . HIS A 1 65 ? 1.090 -3.025 -7.437 1.00 86.11 65 A 1 ATOM 504 N N . ILE A 1 66 ? 6.665 0.670 -6.851 1.00 93.79 66 A 1 ATOM 505 C CA . ILE A 1 66 ? 7.873 1.453 -7.131 1.00 93.17 66 A 1 ATOM 506 C C . ILE A 1 66 ? 9.094 0.530 -7.172 1.00 92.76 66 A 1 ATOM 507 O O . ILE A 1 66 ? 9.838 0.528 -8.150 1.00 91.69 66 A 1 ATOM 508 C CB . ILE A 1 66 ? 8.034 2.590 -6.099 1.00 92.67 66 A 1 ATOM 509 C CG1 . ILE A 1 66 ? 6.928 3.656 -6.290 1.00 91.63 66 A 1 ATOM 510 C CG2 . ILE A 1 66 ? 9.418 3.261 -6.212 1.00 91.84 66 A 1 ATOM 511 C CD1 . ILE A 1 66 ? 6.772 4.586 -5.085 1.00 88.05 66 A 1 ATOM 512 N N . GLY A 1 67 ? 9.283 -0.310 -6.167 1.00 92.26 67 A 1 ATOM 513 C CA . GLY A 1 67 ? 10.424 -1.226 -6.083 1.00 91.39 67 A 1 ATOM 514 C C . GLY A 1 67 ? 10.499 -2.233 -7.234 1.00 91.41 67 A 1 ATOM 515 O O . GLY A 1 67 ? 11.595 -2.545 -7.714 1.00 89.88 67 A 1 ATOM 516 N N . LYS A 1 68 ? 9.364 -2.720 -7.713 1.00 91.22 68 A 1 ATOM 517 C CA . LYS A 1 68 ? 9.295 -3.617 -8.877 1.00 90.93 68 A 1 ATOM 518 C C . LYS A 1 68 ? 9.718 -2.928 -10.172 1.00 91.69 68 A 1 ATOM 519 O O . LYS A 1 68 ? 10.424 -3.541 -10.973 1.00 89.95 68 A 1 ATOM 520 C CB . LYS A 1 68 ? 7.874 -4.171 -9.029 1.00 88.89 68 A 1 ATOM 521 C CG . LYS A 1 68 ? 7.575 -5.297 -8.029 1.00 80.43 68 A 1 ATOM 522 C CD . LYS A 1 68 ? 6.134 -5.778 -8.238 1.00 79.06 68 A 1 ATOM 523 C CE . LYS A 1 68 ? 5.813 -6.989 -7.366 1.00 71.37 68 A 1 ATOM 524 N NZ . LYS A 1 68 ? 4.473 -7.524 -7.706 1.00 65.75 68 A 1 ATOM 525 N N . ASN A 1 69 ? 9.322 -1.669 -10.359 1.00 90.50 69 A 1 ATOM 526 C CA . ASN A 1 69 ? 9.556 -0.911 -11.586 1.00 90.22 69 A 1 ATOM 527 C C . ASN A 1 69 ? 10.921 -0.214 -11.622 1.00 91.10 69 A 1 ATOM 528 O O . ASN A 1 69 ? 11.333 0.290 -12.669 1.00 89.11 69 A 1 ATOM 529 C CB . ASN A 1 69 ? 8.389 0.068 -11.773 1.00 88.46 69 A 1 ATOM 530 C CG . ASN A 1 69 ? 7.069 -0.649 -12.049 1.00 84.61 69 A 1 ATOM 531 O OD1 . ASN A 1 69 ? 7.014 -1.722 -12.624 1.00 76.09 69 A 1 ATOM 532 N ND2 . ASN A 1 69 ? 5.961 -0.062 -11.650 1.00 75.15 69 A 1 ATOM 533 N N . LEU A 1 70 ? 11.660 -0.191 -10.512 1.00 91.23 70 A 1 ATOM 534 C CA . LEU A 1 70 ? 12.996 0.386 -10.486 1.00 91.89 70 A 1 ATOM 535 C C . LEU A 1 70 ? 13.999 -0.456 -11.294 1.00 93.06 70 A 1 ATOM 536 O O . LEU A 1 70 ? 13.989 -1.693 -11.228 1.00 93.06 70 A 1 ATOM 537 C CB . LEU A 1 70 ? 13.477 0.565 -9.041 1.00 90.59 70 A 1 ATOM 538 C CG . LEU A 1 70 ? 12.893 1.799 -8.329 1.00 87.35 70 A 1 ATOM 539 C CD1 . LEU A 1 70 ? 13.289 1.755 -6.853 1.00 85.70 70 A 1 ATOM 540 C CD2 . LEU A 1 70 ? 13.394 3.116 -8.916 1.00 85.26 70 A 1 ATOM 541 N N . PRO A 1 71 ? 14.942 0.212 -11.998 1.00 92.51 71 A 1 ATOM 542 C CA . PRO A 1 71 ? 16.108 -0.443 -12.580 1.00 93.19 71 A 1 ATOM 543 C C . PRO A 1 71 ? 16.887 -1.232 -11.521 1.00 93.68 71 A 1 ATOM 544 O O . PRO A 1 71 ? 16.976 -0.813 -10.366 1.00 92.88 71 A 1 ATOM 545 C CB . PRO A 1 71 ? 16.970 0.681 -13.176 1.00 92.38 71 A 1 ATOM 546 C CG . PRO A 1 71 ? 15.995 1.835 -13.375 1.00 90.75 71 A 1 ATOM 547 C CD . PRO A 1 71 ? 14.987 1.647 -12.246 1.00 92.87 71 A 1 ATOM 548 N N . ALA A 1 72 ? 17.502 -2.354 -11.931 1.00 92.37 72 A 1 ATOM 549 C CA . ALA A 1 72 ? 18.218 -3.253 -11.020 1.00 92.83 72 A 1 ATOM 550 C C . ALA A 1 72 ? 19.257 -2.528 -10.143 1.00 93.30 72 A 1 ATOM 551 O O . ALA A 1 72 ? 19.343 -2.793 -8.944 1.00 92.45 72 A 1 ATOM 552 C CB . ALA A 1 72 ? 18.869 -4.359 -11.859 1.00 92.26 72 A 1 ATOM 553 N N . GLU A 1 73 ? 19.963 -1.561 -10.720 1.00 92.73 73 A 1 ATOM 554 C CA . GLU A 1 73 ? 20.977 -0.740 -10.048 1.00 92.67 73 A 1 ATOM 555 C C . GLU A 1 73 ? 20.410 0.068 -8.871 1.00 92.81 73 A 1 ATOM 556 O O . GLU A 1 73 ? 21.083 0.249 -7.858 1.00 91.77 73 A 1 ATOM 557 C CB . GLU A 1 73 ? 21.581 0.225 -11.081 1.00 91.98 73 A 1 ATOM 558 C CG . GLU A 1 73 ? 22.291 -0.510 -12.233 1.00 83.19 73 A 1 ATOM 559 C CD . GLU A 1 73 ? 22.690 0.418 -13.388 1.00 76.45 73 A 1 ATOM 560 O OE1 . GLU A 1 73 ? 23.072 -0.138 -14.444 1.00 69.89 73 A 1 ATOM 561 O OE2 . GLU A 1 73 ? 22.569 1.654 -13.239 1.00 73.58 73 A 1 ATOM 562 N N . LYS A 1 74 ? 19.148 0.508 -8.965 1.00 91.58 74 A 1 ATOM 563 C CA . LYS A 1 74 ? 18.477 1.303 -7.929 1.00 91.45 74 A 1 ATOM 564 C C . LYS A 1 74 ? 17.740 0.449 -6.891 1.00 91.97 74 A 1 ATOM 565 O O . LYS A 1 74 ? 17.357 0.957 -5.840 1.00 91.61 74 A 1 ATOM 566 C CB . LYS A 1 74 ? 17.534 2.323 -8.577 1.00 90.28 74 A 1 ATOM 567 C CG . LYS A 1 74 ? 18.288 3.345 -9.442 1.00 87.09 74 A 1 ATOM 568 C CD . LYS A 1 74 ? 17.338 4.446 -9.916 1.00 81.79 74 A 1 ATOM 569 C CE . LYS A 1 74 ? 18.110 5.484 -10.726 1.00 75.92 74 A 1 ATOM 570 N NZ . LYS A 1 74 ? 17.249 6.625 -11.125 1.00 68.30 74 A 1 ATOM 571 N N . LYS A 1 75 ? 17.552 -0.843 -7.150 1.00 91.40 75 A 1 ATOM 572 C CA . LYS A 1 75 ? 16.816 -1.730 -6.236 1.00 91.35 75 A 1 ATOM 573 C C . LYS A 1 75 ? 17.511 -1.896 -4.887 1.00 91.23 75 A 1 ATOM 574 O O . LYS A 1 75 ? 16.835 -1.951 -3.864 1.00 90.91 75 A 1 ATOM 575 C CB . LYS A 1 75 ? 16.567 -3.102 -6.880 1.00 90.24 75 A 1 ATOM 576 C CG . LYS A 1 75 ? 15.509 -3.016 -7.984 1.00 86.97 75 A 1 ATOM 577 C CD . LYS A 1 75 ? 15.149 -4.391 -8.556 1.00 85.07 75 A 1 ATOM 578 C CE . LYS A 1 75 ? 14.030 -4.199 -9.578 1.00 80.55 75 A 1 ATOM 579 N NZ . LYS A 1 75 ? 13.522 -5.469 -10.145 1.00 73.49 75 A 1 ATOM 580 N N . ALA A 1 76 ? 18.844 -1.957 -4.871 1.00 92.24 76 A 1 ATOM 581 C CA . ALA A 1 76 ? 19.607 -2.108 -3.632 1.00 91.96 76 A 1 ATOM 582 C C . ALA A 1 76 ? 19.455 -0.880 -2.714 1.00 92.07 76 A 1 ATOM 583 O O . ALA A 1 76 ? 19.137 -1.027 -1.532 1.00 91.54 76 A 1 ATOM 584 C CB . ALA A 1 76 ? 21.073 -2.384 -3.987 1.00 91.12 76 A 1 ATOM 585 N N . GLU A 1 77 ? 19.598 0.327 -3.268 1.00 90.84 77 A 1 ATOM 586 C CA . GLU A 1 77 ? 19.409 1.584 -2.532 1.00 90.53 77 A 1 ATOM 587 C C . GLU A 1 77 ? 17.961 1.742 -2.044 1.00 91.00 77 A 1 ATOM 588 O O . GLU A 1 77 ? 17.709 2.121 -0.895 1.00 90.74 77 A 1 ATOM 589 C CB . GLU A 1 77 ? 19.805 2.743 -3.457 1.00 89.20 77 A 1 ATOM 590 C CG . GLU A 1 77 ? 19.774 4.098 -2.739 1.00 78.95 77 A 1 ATOM 591 C CD . GLU A 1 77 ? 20.109 5.278 -3.661 1.00 73.29 77 A 1 ATOM 592 O OE1 . GLU A 1 77 ? 20.163 6.411 -3.135 1.00 66.57 77 A 1 ATOM 593 O OE2 . GLU A 1 77 ? 20.284 5.061 -4.881 1.00 68.15 77 A 1 ATOM 594 N N . PHE A 1 78 ? 16.999 1.377 -2.890 1.00 91.61 78 A 1 ATOM 595 C CA . PHE A 1 78 ? 15.587 1.372 -2.530 1.00 91.65 78 A 1 ATOM 596 C C . PHE A 1 78 ? 15.308 0.423 -1.357 1.00 92.09 78 A 1 ATOM 597 O O . PHE A 1 78 ? 14.677 0.821 -0.375 1.00 92.20 78 A 1 ATOM 598 C CB . PHE A 1 78 ? 14.766 0.996 -3.764 1.00 90.74 78 A 1 ATOM 599 C CG . PHE A 1 78 ? 13.283 0.995 -3.504 1.00 90.54 78 A 1 ATOM 600 C CD1 . PHE A 1 78 ? 12.604 -0.202 -3.232 1.00 88.72 78 A 1 ATOM 601 C CD2 . PHE A 1 78 ? 12.579 2.210 -3.521 1.00 88.80 78 A 1 ATOM 602 C CE1 . PHE A 1 78 ? 11.224 -0.184 -2.985 1.00 87.22 78 A 1 ATOM 603 C CE2 . PHE A 1 78 ? 11.201 2.228 -3.274 1.00 87.09 78 A 1 ATOM 604 C CZ . PHE A 1 78 ? 10.524 1.031 -3.008 1.00 86.73 78 A 1 ATOM 605 N N . LEU A 1 79 ? 15.839 -0.806 -1.402 1.00 90.52 79 A 1 ATOM 606 C CA . LEU A 1 79 ? 15.689 -1.776 -0.320 1.00 90.21 79 A 1 ATOM 607 C C . LEU A 1 79 ? 16.317 -1.269 0.986 1.00 90.79 79 A 1 ATOM 608 O O . LEU A 1 79 ? 15.696 -1.380 2.044 1.00 91.73 79 A 1 ATOM 609 C CB . LEU A 1 79 ? 16.298 -3.118 -0.766 1.00 89.00 79 A 1 ATOM 610 C CG . LEU A 1 79 ? 16.134 -4.246 0.268 1.00 76.64 79 A 1 ATOM 611 C CD1 . LEU A 1 79 ? 14.667 -4.591 0.525 1.00 73.82 79 A 1 ATOM 612 C CD2 . LEU A 1 79 ? 16.847 -5.503 -0.227 1.00 73.89 79 A 1 ATOM 613 N N . ALA A 1 80 ? 17.504 -0.670 0.922 1.00 91.81 80 A 1 ATOM 614 C CA . ALA A 1 80 ? 18.146 -0.061 2.088 1.00 92.55 80 A 1 ATOM 615 C C . ALA A 1 80 ? 17.281 1.058 2.697 1.00 92.58 80 A 1 ATOM 616 O O . ALA A 1 80 ? 17.121 1.133 3.917 1.00 92.18 80 A 1 ATOM 617 C CB . ALA A 1 80 ? 19.527 0.459 1.667 1.00 92.32 80 A 1 ATOM 618 N N . THR A 1 81 ? 16.652 1.879 1.845 1.00 91.48 81 A 1 ATOM 619 C CA . THR A 1 81 ? 15.725 2.931 2.280 1.00 90.19 81 A 1 ATOM 620 C C . THR A 1 81 ? 14.495 2.340 2.969 1.00 90.05 81 A 1 ATOM 621 O O . THR A 1 81 ? 14.129 2.798 4.052 1.00 89.30 81 A 1 ATOM 622 C CB . THR A 1 81 ? 15.308 3.822 1.100 1.00 88.83 81 A 1 ATOM 623 O OG1 . THR A 1 81 ? 16.447 4.370 0.474 1.00 84.30 81 A 1 ATOM 624 C CG2 . THR A 1 81 ? 14.457 5.008 1.559 1.00 82.93 81 A 1 ATOM 625 N N . LEU A 1 82 ? 13.896 1.281 2.416 1.00 90.29 82 A 1 ATOM 626 C CA . LEU A 1 82 ? 12.758 0.596 3.037 1.00 89.91 82 A 1 ATOM 627 C C . LEU A 1 82 ? 13.111 0.010 4.408 1.00 90.73 82 A 1 ATOM 628 O O . LEU A 1 82 ? 12.340 0.144 5.357 1.00 90.99 82 A 1 ATOM 629 C CB . LEU A 1 82 ? 12.254 -0.532 2.123 1.00 88.49 82 A 1 ATOM 630 C CG . LEU A 1 82 ? 11.537 -0.088 0.837 1.00 83.36 82 A 1 ATOM 631 C CD1 . LEU A 1 82 ? 11.086 -1.334 0.073 1.00 80.82 82 A 1 ATOM 632 C CD2 . LEU A 1 82 ? 10.315 0.767 1.141 1.00 79.81 82 A 1 ATOM 633 N N . ILE A 1 83 ? 14.281 -0.614 4.531 1.00 91.47 83 A 1 ATOM 634 C CA . ILE A 1 83 ? 14.766 -1.145 5.810 1.00 92.26 83 A 1 ATOM 635 C C . ILE A 1 83 ? 14.911 -0.006 6.828 1.00 92.59 83 A 1 ATOM 636 O O . ILE A 1 83 ? 14.434 -0.134 7.958 1.00 93.09 83 A 1 ATOM 637 C CB . ILE A 1 83 ? 16.082 -1.928 5.610 1.00 92.80 83 A 1 ATOM 638 C CG1 . ILE A 1 83 ? 15.818 -3.222 4.800 1.00 89.67 83 A 1 ATOM 639 C CG2 . ILE A 1 83 ? 16.726 -2.285 6.965 1.00 88.32 83 A 1 ATOM 640 C CD1 . ILE A 1 83 ? 17.089 -3.890 4.265 1.00 80.18 83 A 1 ATOM 641 N N . ALA A 1 84 ? 15.505 1.121 6.435 1.00 92.15 84 A 1 ATOM 642 C CA . ALA A 1 84 ? 15.656 2.285 7.308 1.00 91.85 84 A 1 ATOM 643 C C . ALA A 1 84 ? 14.297 2.862 7.752 1.00 91.25 84 A 1 ATOM 644 O O . ALA A 1 84 ? 14.124 3.168 8.934 1.00 90.67 84 A 1 ATOM 645 C CB . ALA A 1 84 ? 16.511 3.335 6.588 1.00 91.58 84 A 1 ATOM 646 N N . MET A 1 85 ? 13.315 2.964 6.848 1.00 89.66 85 A 1 ATOM 647 C CA . MET A 1 85 ? 11.954 3.404 7.172 1.00 88.19 85 A 1 ATOM 648 C C . MET A 1 85 ? 11.283 2.456 8.167 1.00 89.00 85 A 1 ATOM 649 O O . MET A 1 85 ? 10.725 2.902 9.167 1.00 89.02 85 A 1 ATOM 650 C CB . MET A 1 85 ? 11.111 3.514 5.898 1.00 86.08 85 A 1 ATOM 651 C CG . MET A 1 85 ? 11.531 4.684 5.006 1.00 82.17 85 A 1 ATOM 652 S SD . MET A 1 85 ? 10.603 4.811 3.443 1.00 78.02 85 A 1 ATOM 653 C CE . MET A 1 85 ? 9.025 5.453 4.062 1.00 69.84 85 A 1 ATOM 654 N N . LYS A 1 86 ? 11.408 1.141 7.955 1.00 87.36 86 A 1 ATOM 655 C CA . LYS A 1 86 ? 10.856 0.130 8.859 1.00 87.79 86 A 1 ATOM 656 C C . LYS A 1 86 ? 11.485 0.193 10.250 1.00 89.83 86 A 1 ATOM 657 O O . LYS A 1 86 ? 10.775 0.108 11.250 1.00 90.69 86 A 1 ATOM 658 C CB . LYS A 1 86 ? 11.013 -1.249 8.212 1.00 86.03 86 A 1 ATOM 659 C CG . LYS A 1 86 ? 10.256 -2.316 9.009 1.00 79.03 86 A 1 ATOM 660 C CD . LYS A 1 86 ? 10.273 -3.652 8.261 1.00 76.38 86 A 1 ATOM 661 C CE . LYS A 1 86 ? 9.450 -4.670 9.047 1.00 69.76 86 A 1 ATOM 662 N NZ . LYS A 1 86 ? 9.327 -5.954 8.312 1.00 63.85 86 A 1 ATOM 663 N N . LEU A 1 87 ? 12.798 0.381 10.334 1.00 91.51 87 A 1 ATOM 664 C CA . LEU A 1 87 ? 13.508 0.525 11.610 1.00 93.06 87 A 1 ATOM 665 C C . LEU A 1 87 ? 13.096 1.787 12.379 1.00 93.36 87 A 1 ATOM 666 O O . LEU A 1 87 ? 13.107 1.781 13.608 1.00 93.39 87 A 1 ATOM 667 C CB . LEU A 1 87 ? 15.024 0.543 11.352 1.00 93.73 87 A 1 ATOM 668 C CG . LEU A 1 87 ? 15.626 -0.821 10.957 1.00 88.88 87 A 1 ATOM 669 C CD1 . LEU A 1 87 ? 17.081 -0.621 10.535 1.00 85.45 87 A 1 ATOM 670 C CD2 . LEU A 1 87 ? 15.587 -1.827 12.105 1.00 85.24 87 A 1 ATOM 671 N N . LYS A 1 88 ? 12.702 2.856 11.674 1.00 91.74 88 A 1 ATOM 672 C CA . LYS A 1 88 ? 12.195 4.098 12.276 1.00 90.63 88 A 1 ATOM 673 C C . LYS A 1 88 ? 10.704 4.039 12.627 1.00 89.17 88 A 1 ATOM 674 O O . LYS A 1 88 ? 10.203 4.967 13.257 1.00 86.51 88 A 1 ATOM 675 C CB . LYS A 1 88 ? 12.480 5.271 11.336 1.00 90.45 88 A 1 ATOM 676 C CG . LYS A 1 88 ? 13.977 5.591 11.236 1.00 86.13 88 A 1 ATOM 677 C CD . LYS A 1 88 ? 14.148 6.707 10.208 1.00 82.30 88 A 1 ATOM 678 C CE . LYS A 1 88 ? 15.609 7.093 10.023 1.00 75.19 88 A 1 ATOM 679 N NZ . LYS A 1 88 ? 15.694 8.190 9.031 1.00 69.09 88 A 1 ATOM 680 N N . GLY A 1 89 ? 9.996 2.979 12.228 1.00 88.86 89 A 1 ATOM 681 C CA . GLY A 1 89 ? 8.547 2.857 12.417 1.00 85.68 89 A 1 ATOM 682 C C . GLY A 1 89 ? 7.720 3.750 11.480 1.00 83.83 89 A 1 ATOM 683 O O . GLY A 1 89 ? 6.577 4.065 11.798 1.00 80.63 89 A 1 ATOM 684 N N . GLU A 1 90 ? 8.293 4.167 10.349 1.00 84.67 90 A 1 ATOM 685 C CA . GLU A 1 90 ? 7.589 4.958 9.326 1.00 81.58 90 A 1 ATOM 686 C C . GLU A 1 90 ? 6.675 4.088 8.439 1.00 79.34 90 A 1 ATOM 687 O O . GLU A 1 90 ? 5.739 4.605 7.819 1.00 75.54 90 A 1 ATOM 688 C CB . GLU A 1 90 ? 8.618 5.705 8.454 1.00 79.88 90 A 1 ATOM 689 C CG . GLU A 1 90 ? 9.419 6.788 9.205 1.00 76.37 90 A 1 ATOM 690 C CD . GLU A 1 90 ? 10.551 7.426 8.358 1.00 72.60 90 A 1 ATOM 691 O OE1 . GLU A 1 90 ? 11.358 8.201 8.930 1.00 67.29 90 A 1 ATOM 692 O OE2 . GLU A 1 90 ? 10.666 7.125 7.149 1.00 69.40 90 A 1 ATOM 693 N N . ILE A 1 91 ? 6.951 2.772 8.372 1.00 84.27 91 A 1 ATOM 694 C CA . ILE A 1 91 ? 6.181 1.741 7.662 1.00 81.76 91 A 1 ATOM 695 C C . ILE A 1 91 ? 6.105 0.438 8.463 1.00 76.61 91 A 1 ATOM 696 O O . ILE A 1 91 ? 7.005 0.177 9.302 1.00 70.43 91 A 1 ATOM 697 C CB . ILE A 1 91 ? 6.745 1.458 6.245 1.00 78.42 91 A 1 ATOM 698 C CG1 . ILE A 1 91 ? 8.190 0.938 6.286 1.00 77.26 91 A 1 ATOM 699 C CG2 . ILE A 1 91 ? 6.607 2.705 5.359 1.00 75.03 91 A 1 ATOM 700 C CD1 . ILE A 1 91 ? 8.721 0.468 4.918 1.00 75.28 91 A 1 ATOM 701 O OXT . ILE A 1 91 ? 5.152 -0.352 8.209 1.00 74.77 91 A 1 #