# 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_gp4_5 # _entry.id gp4_5 # 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" "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" "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 SER 2 1 n ASN 3 1 n VAL 4 1 n ALA 5 1 n GLU 6 1 n THR 7 1 n ILE 8 1 n ARG 9 1 n LEU 10 1 n SER 11 1 n ASP 12 1 n THR 13 1 n ALA 14 1 n ASP 15 1 n GLN 16 1 n TRP 17 1 n ASN 18 1 n ARG 19 1 n ARG 20 1 n VAL 21 1 n HIS 22 1 n ILE 23 1 n ASN 24 1 n VAL 25 1 n ARG 26 1 n ASN 27 1 n GLY 28 1 n LYS 29 1 n ALA 30 1 n THR 31 1 n MET 32 1 n VAL 33 1 n TYR 34 1 n ARG 35 1 n TRP 36 1 n LYS 37 1 n ASP 38 1 n SER 39 1 n LYS 40 1 n SER 41 1 n SER 42 1 n LYS 43 1 n ASN 44 1 n HIS 45 1 n THR 46 1 n GLN 47 1 n ARG 48 1 n MET 49 1 n THR 50 1 n LEU 51 1 n THR 52 1 n ASP 53 1 n GLU 54 1 n GLN 55 1 n ALA 56 1 n LEU 57 1 n ARG 58 1 n LEU 59 1 n VAL 60 1 n ASN 61 1 n ALA 62 1 n LEU 63 1 n THR 64 1 n LYS 65 1 n ALA 66 1 n ALA 67 1 n VAL 68 1 n THR 69 1 n ALA 70 1 n ILE 71 1 n HIS 72 1 n GLU 73 1 n ALA 74 1 n GLY 75 1 n ARG 76 1 n VAL 77 1 n ASN 78 1 n GLU 79 1 n ALA 80 1 n MET 81 1 n ALA 82 1 n ILE 83 1 n LEU 84 1 n ASP 85 1 n LYS 86 1 n ILE 87 1 n ASP 88 1 n ASN 89 # _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 01:04:36)" _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 89.82 _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 55.19 1 1 A SER 2 2 56.94 1 2 A ASN 3 2 67.12 1 3 A VAL 4 2 81.79 1 4 A ALA 5 2 89.56 1 5 A GLU 6 2 88.11 1 6 A THR 7 2 94.14 1 7 A ILE 8 2 94.77 1 8 A ARG 9 2 79.98 1 9 A LEU 10 2 95.47 1 10 A SER 11 2 92.95 1 11 A ASP 12 2 90.85 1 12 A THR 13 2 92.07 1 13 A ALA 14 2 91.94 1 14 A ASP 15 2 86.18 1 15 A GLN 16 2 90.56 1 16 A TRP 17 2 87.91 1 17 A ASN 18 2 89.32 1 18 A ARG 19 2 91.77 1 19 A ARG 20 2 87.98 1 20 A VAL 21 2 95.57 1 21 A HIS 22 2 83.13 1 22 A ILE 23 2 94.65 1 23 A ASN 24 2 92.81 1 24 A VAL 25 2 95.01 1 25 A ARG 26 2 81.21 1 26 A ASN 27 2 90.52 1 27 A GLY 28 2 95.47 1 28 A LYS 29 2 92.63 1 29 A ALA 30 2 96.99 1 30 A THR 31 2 96.11 1 31 A MET 32 2 91.02 1 32 A VAL 33 2 96.16 1 33 A TYR 34 2 91.69 1 34 A ARG 35 2 86.29 1 35 A TRP 36 2 95.51 1 36 A LYS 37 2 90.78 1 37 A ASP 38 2 92.28 1 38 A SER 39 2 88.28 1 39 A LYS 40 2 84.14 1 40 A SER 41 2 88.94 1 41 A SER 42 2 89.47 1 42 A LYS 43 2 84.29 1 43 A ASN 44 2 88.58 1 44 A HIS 45 2 92.88 1 45 A THR 46 2 94.04 1 46 A GLN 47 2 89.84 1 47 A ARG 48 2 86.46 1 48 A MET 49 2 89.96 1 49 A THR 50 2 95.86 1 50 A LEU 51 2 96.95 1 51 A THR 52 2 97.42 1 52 A ASP 53 2 96.10 1 53 A GLU 54 2 94.44 1 54 A GLN 55 2 96.88 1 55 A ALA 56 2 97.63 1 56 A LEU 57 2 96.72 1 57 A ARG 58 2 89.38 1 58 A LEU 59 2 95.69 1 59 A VAL 60 2 95.28 1 60 A ASN 61 2 92.91 1 61 A ALA 62 2 97.24 1 62 A LEU 63 2 92.84 1 63 A THR 64 2 94.63 1 64 A LYS 65 2 91.31 1 65 A ALA 66 2 96.49 1 66 A ALA 67 2 96.10 1 67 A VAL 68 2 93.76 1 68 A THR 69 2 95.15 1 69 A ALA 70 2 96.07 1 70 A ILE 71 2 95.17 1 71 A HIS 72 2 87.22 1 72 A GLU 73 2 92.74 1 73 A ALA 74 2 95.26 1 74 A GLY 75 2 95.66 1 75 A ARG 76 2 90.22 1 76 A VAL 77 2 93.31 1 77 A ASN 78 2 91.17 1 78 A GLU 79 2 89.62 1 79 A ALA 80 2 94.28 1 80 A MET 81 2 88.62 1 81 A ALA 82 2 94.09 1 82 A ILE 83 2 92.40 1 83 A LEU 84 2 88.54 1 84 A ASP 85 2 89.16 1 85 A LYS 86 2 84.68 1 86 A ILE 87 2 82.94 1 87 A ASP 88 2 74.74 1 88 A ASN 89 2 72.28 1 89 # _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 SER . 2 A 2 A 3 1 n ASN . 3 A 3 A 4 1 n VAL . 4 A 4 A 5 1 n ALA . 5 A 5 A 6 1 n GLU . 6 A 6 A 7 1 n THR . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n ARG . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n SER . 11 A 11 A 12 1 n ASP . 12 A 12 A 13 1 n THR . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n ASP . 15 A 15 A 16 1 n GLN . 16 A 16 A 17 1 n TRP . 17 A 17 A 18 1 n ASN . 18 A 18 A 19 1 n ARG . 19 A 19 A 20 1 n ARG . 20 A 20 A 21 1 n VAL . 21 A 21 A 22 1 n HIS . 22 A 22 A 23 1 n ILE . 23 A 23 A 24 1 n ASN . 24 A 24 A 25 1 n VAL . 25 A 25 A 26 1 n ARG . 26 A 26 A 27 1 n ASN . 27 A 27 A 28 1 n GLY . 28 A 28 A 29 1 n LYS . 29 A 29 A 30 1 n ALA . 30 A 30 A 31 1 n THR . 31 A 31 A 32 1 n MET . 32 A 32 A 33 1 n VAL . 33 A 33 A 34 1 n TYR . 34 A 34 A 35 1 n ARG . 35 A 35 A 36 1 n TRP . 36 A 36 A 37 1 n LYS . 37 A 37 A 38 1 n ASP . 38 A 38 A 39 1 n SER . 39 A 39 A 40 1 n LYS . 40 A 40 A 41 1 n SER . 41 A 41 A 42 1 n SER . 42 A 42 A 43 1 n LYS . 43 A 43 A 44 1 n ASN . 44 A 44 A 45 1 n HIS . 45 A 45 A 46 1 n THR . 46 A 46 A 47 1 n GLN . 47 A 47 A 48 1 n ARG . 48 A 48 A 49 1 n MET . 49 A 49 A 50 1 n THR . 50 A 50 A 51 1 n LEU . 51 A 51 A 52 1 n THR . 52 A 52 A 53 1 n ASP . 53 A 53 A 54 1 n GLU . 54 A 54 A 55 1 n GLN . 55 A 55 A 56 1 n ALA . 56 A 56 A 57 1 n LEU . 57 A 57 A 58 1 n ARG . 58 A 58 A 59 1 n LEU . 59 A 59 A 60 1 n VAL . 60 A 60 A 61 1 n ASN . 61 A 61 A 62 1 n ALA . 62 A 62 A 63 1 n LEU . 63 A 63 A 64 1 n THR . 64 A 64 A 65 1 n LYS . 65 A 65 A 66 1 n ALA . 66 A 66 A 67 1 n ALA . 67 A 67 A 68 1 n VAL . 68 A 68 A 69 1 n THR . 69 A 69 A 70 1 n ALA . 70 A 70 A 71 1 n ILE . 71 A 71 A 72 1 n HIS . 72 A 72 A 73 1 n GLU . 73 A 73 A 74 1 n ALA . 74 A 74 A 75 1 n GLY . 75 A 75 A 76 1 n ARG . 76 A 76 A 77 1 n VAL . 77 A 77 A 78 1 n ASN . 78 A 78 A 79 1 n GLU . 79 A 79 A 80 1 n ALA . 80 A 80 A 81 1 n MET . 81 A 81 A 82 1 n ALA . 82 A 82 A 83 1 n ILE . 83 A 83 A 84 1 n LEU . 84 A 84 A 85 1 n ASP . 85 A 85 A 86 1 n LYS . 86 A 86 A 87 1 n ILE . 87 A 87 A 88 1 n ASP . 88 A 88 A 89 1 n ASN . 89 A 89 # _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 ? 15.809 -5.483 -16.524 1.00 55.59 1 A 1 ATOM 2 C CA . MET A 1 1 ? 14.450 -5.676 -15.972 1.00 61.35 1 A 1 ATOM 3 C C . MET A 1 1 ? 14.226 -4.586 -14.940 1.00 63.86 1 A 1 ATOM 4 O O . MET A 1 1 ? 15.062 -4.454 -14.053 1.00 59.31 1 A 1 ATOM 5 C CB . MET A 1 1 ? 14.299 -7.066 -15.328 1.00 58.27 1 A 1 ATOM 6 C CG . MET A 1 1 ? 14.388 -8.198 -16.366 1.00 52.31 1 A 1 ATOM 7 S SD . MET A 1 1 ? 14.285 -9.850 -15.619 1.00 48.23 1 A 1 ATOM 8 C CE . MET A 1 1 ? 14.658 -10.886 -17.058 1.00 42.56 1 A 1 ATOM 9 N N . SER A 1 2 ? 13.196 -3.761 -15.103 1.00 57.17 2 A 1 ATOM 10 C CA . SER A 1 2 ? 12.872 -2.717 -14.124 1.00 60.19 2 A 1 ATOM 11 C C . SER A 1 2 ? 12.404 -3.390 -12.834 1.00 63.83 2 A 1 ATOM 12 O O . SER A 1 2 ? 11.467 -4.191 -12.861 1.00 59.50 2 A 1 ATOM 13 C CB . SER A 1 2 ? 11.801 -1.777 -14.682 1.00 54.13 2 A 1 ATOM 14 O OG . SER A 1 2 ? 11.595 -0.719 -13.775 1.00 46.79 2 A 1 ATOM 15 N N . ASN A 1 3 ? 13.086 -3.135 -11.716 1.00 73.15 3 A 1 ATOM 16 C CA . ASN A 1 3 ? 12.648 -3.611 -10.406 1.00 77.38 3 A 1 ATOM 17 C C . ASN A 1 3 ? 11.444 -2.772 -9.975 1.00 80.88 3 A 1 ATOM 18 O O . ASN A 1 3 ? 11.607 -1.733 -9.340 1.00 75.85 3 A 1 ATOM 19 C CB . ASN A 1 3 ? 13.808 -3.546 -9.388 1.00 68.66 3 A 1 ATOM 20 C CG . ASN A 1 3 ? 14.623 -4.821 -9.278 1.00 58.25 3 A 1 ATOM 21 O OD1 . ASN A 1 3 ? 14.235 -5.897 -9.698 1.00 51.94 3 A 1 ATOM 22 N ND2 . ASN A 1 3 ? 15.777 -4.751 -8.650 1.00 50.89 3 A 1 ATOM 23 N N . VAL A 1 4 ? 10.252 -3.213 -10.339 1.00 82.13 4 A 1 ATOM 24 C CA . VAL A 1 4 ? 9.011 -2.623 -9.827 1.00 85.49 4 A 1 ATOM 25 C C . VAL A 1 4 ? 8.935 -2.934 -8.339 1.00 87.77 4 A 1 ATOM 26 O O . VAL A 1 4 ? 8.687 -4.077 -7.947 1.00 84.61 4 A 1 ATOM 27 C CB . VAL A 1 4 ? 7.769 -3.134 -10.584 1.00 81.30 4 A 1 ATOM 28 C CG1 . VAL A 1 4 ? 6.486 -2.496 -10.038 1.00 74.70 4 A 1 ATOM 29 C CG2 . VAL A 1 4 ? 7.863 -2.809 -12.082 1.00 76.51 4 A 1 ATOM 30 N N . ALA A 1 5 ? 9.210 -1.922 -7.510 1.00 90.87 5 A 1 ATOM 31 C CA . ALA A 1 5 ? 9.109 -2.009 -6.066 1.00 90.59 5 A 1 ATOM 32 C C . ALA A 1 5 ? 8.636 -0.660 -5.522 1.00 91.00 5 A 1 ATOM 33 O O . ALA A 1 5 ? 9.336 0.337 -5.648 1.00 88.18 5 A 1 ATOM 34 C CB . ALA A 1 5 ? 10.462 -2.423 -5.479 1.00 87.16 5 A 1 ATOM 35 N N . GLU A 1 6 ? 7.475 -0.656 -4.893 1.00 92.89 6 A 1 ATOM 36 C CA . GLU A 1 6 ? 6.861 0.528 -4.298 1.00 93.79 6 A 1 ATOM 37 C C . GLU A 1 6 ? 6.525 0.255 -2.832 1.00 95.07 6 A 1 ATOM 38 O O . GLU A 1 6 ? 6.163 -0.862 -2.449 1.00 94.53 6 A 1 ATOM 39 C CB . GLU A 1 6 ? 5.625 0.932 -5.128 1.00 91.99 6 A 1 ATOM 40 C CG . GLU A 1 6 ? 4.977 2.253 -4.663 1.00 86.58 6 A 1 ATOM 41 C CD . GLU A 1 6 ? 6.026 3.361 -4.546 1.00 84.64 6 A 1 ATOM 42 O OE1 . GLU A 1 6 ? 6.133 3.904 -3.421 1.00 76.69 6 A 1 ATOM 43 O OE2 . GLU A 1 6 ? 6.791 3.538 -5.512 1.00 76.79 6 A 1 ATOM 44 N N . THR A 1 7 ? 6.681 1.266 -1.978 1.00 94.78 7 A 1 ATOM 45 C CA . THR A 1 7 ? 6.329 1.177 -0.556 1.00 95.00 7 A 1 ATOM 46 C C . THR A 1 7 ? 5.400 2.313 -0.177 1.00 94.82 7 A 1 ATOM 47 O O . THR A 1 7 ? 5.819 3.460 -0.054 1.00 93.95 7 A 1 ATOM 48 C CB . THR A 1 7 ? 7.556 1.172 0.356 1.00 94.76 7 A 1 ATOM 49 O OG1 . THR A 1 7 ? 8.346 0.034 0.066 1.00 93.09 7 A 1 ATOM 50 C CG2 . THR A 1 7 ? 7.176 1.092 1.840 1.00 92.56 7 A 1 ATOM 51 N N . ILE A 1 8 ? 4.165 1.972 0.120 1.00 95.62 8 A 1 ATOM 52 C CA . ILE A 1 8 ? 3.139 2.917 0.543 1.00 95.57 8 A 1 ATOM 53 C C . ILE A 1 8 ? 3.016 2.851 2.065 1.00 96.16 8 A 1 ATOM 54 O O . ILE A 1 8 ? 2.708 1.800 2.634 1.00 96.09 8 A 1 ATOM 55 C CB . ILE A 1 8 ? 1.807 2.625 -0.187 1.00 95.06 8 A 1 ATOM 56 C CG1 . ILE A 1 8 ? 2.010 2.608 -1.726 1.00 94.13 8 A 1 ATOM 57 C CG2 . ILE A 1 8 ? 0.758 3.668 0.223 1.00 93.97 8 A 1 ATOM 58 C CD1 . ILE A 1 8 ? 0.781 2.158 -2.514 1.00 91.54 8 A 1 ATOM 59 N N . ARG A 1 9 ? 3.274 3.972 2.749 1.00 96.31 9 A 1 ATOM 60 C CA . ARG A 1 9 ? 2.974 4.099 4.182 1.00 96.38 9 A 1 ATOM 61 C C . ARG A 1 9 ? 1.481 4.359 4.366 1.00 96.47 9 A 1 ATOM 62 O O . ARG A 1 9 ? 0.899 5.159 3.650 1.00 95.49 9 A 1 ATOM 63 C CB . ARG A 1 9 ? 3.810 5.207 4.832 1.00 95.84 9 A 1 ATOM 64 C CG . ARG A 1 9 ? 5.307 4.850 4.862 1.00 85.80 9 A 1 ATOM 65 C CD . ARG A 1 9 ? 6.079 5.918 5.638 1.00 79.97 9 A 1 ATOM 66 N NE . ARG A 1 9 ? 7.521 5.601 5.716 1.00 69.86 9 A 1 ATOM 67 C CZ . ARG A 1 9 ? 8.426 6.269 6.413 1.00 59.39 9 A 1 ATOM 68 N NH1 . ARG A 1 9 ? 8.116 7.312 7.133 1.00 53.21 9 A 1 ATOM 69 N NH2 . ARG A 1 9 ? 9.679 5.902 6.393 1.00 51.10 9 A 1 ATOM 70 N N . LEU A 1 10 ? 0.891 3.685 5.329 1.00 96.60 10 A 1 ATOM 71 C CA . LEU A 1 10 ? -0.517 3.850 5.669 1.00 96.46 10 A 1 ATOM 72 C C . LEU A 1 10 ? -0.636 4.600 6.995 1.00 96.15 10 A 1 ATOM 73 O O . LEU A 1 10 ? 0.209 4.435 7.878 1.00 95.47 10 A 1 ATOM 74 C CB . LEU A 1 10 ? -1.211 2.479 5.744 1.00 96.48 10 A 1 ATOM 75 C CG . LEU A 1 10 ? -1.075 1.583 4.498 1.00 95.67 10 A 1 ATOM 76 C CD1 . LEU A 1 10 ? -1.820 0.273 4.757 1.00 93.71 10 A 1 ATOM 77 C CD2 . LEU A 1 10 ? -1.650 2.229 3.244 1.00 93.26 10 A 1 ATOM 78 N N . SER A 1 11 ? -1.713 5.353 7.149 1.00 95.48 11 A 1 ATOM 79 C CA . SER A 1 11 ? -2.043 6.005 8.417 1.00 94.69 11 A 1 ATOM 80 C C . SER A 1 11 ? -2.198 4.979 9.539 1.00 94.92 11 A 1 ATOM 81 O O . SER A 1 11 ? -2.769 3.896 9.342 1.00 93.78 11 A 1 ATOM 82 C CB . SER A 1 11 ? -3.333 6.821 8.294 1.00 93.24 11 A 1 ATOM 83 O OG . SER A 1 11 ? -3.257 7.668 7.162 1.00 85.58 11 A 1 ATOM 84 N N . ASP A 1 12 ? -1.707 5.333 10.726 1.00 94.07 12 A 1 ATOM 85 C CA . ASP A 1 12 ? -1.904 4.542 11.935 1.00 93.79 12 A 1 ATOM 86 C C . ASP A 1 12 ? -3.385 4.542 12.348 1.00 93.61 12 A 1 ATOM 87 O O . ASP A 1 12 ? -4.165 5.425 11.987 1.00 92.02 12 A 1 ATOM 88 C CB . ASP A 1 12 ? -0.958 5.040 13.042 1.00 92.28 12 A 1 ATOM 89 C CG . ASP A 1 12 ? 0.530 4.760 12.746 1.00 89.18 12 A 1 ATOM 90 O OD1 . ASP A 1 12 ? 0.830 3.927 11.848 1.00 86.16 12 A 1 ATOM 91 O OD2 . ASP A 1 12 ? 1.393 5.331 13.441 1.00 85.66 12 A 1 ATOM 92 N N . THR A 1 13 ? -3.788 3.499 13.070 1.00 94.22 13 A 1 ATOM 93 C CA . THR A 1 13 ? -5.114 3.361 13.686 1.00 93.23 13 A 1 ATOM 94 C C . THR A 1 13 ? -4.956 3.283 15.198 1.00 93.36 13 A 1 ATOM 95 O O . THR A 1 13 ? -3.838 3.179 15.699 1.00 92.64 13 A 1 ATOM 96 C CB . THR A 1 13 ? -5.869 2.126 13.161 1.00 92.27 13 A 1 ATOM 97 O OG1 . THR A 1 13 ? -5.218 0.932 13.526 1.00 90.16 13 A 1 ATOM 98 C CG2 . THR A 1 13 ? -6.019 2.121 11.639 1.00 88.58 13 A 1 ATOM 99 N N . ALA A 1 14 ? -6.058 3.269 15.938 1.00 93.11 14 A 1 ATOM 100 C CA . ALA A 1 14 ? -6.022 3.104 17.396 1.00 92.34 14 A 1 ATOM 101 C C . ALA A 1 14 ? -5.257 1.839 17.845 1.00 92.29 14 A 1 ATOM 102 O O . ALA A 1 14 ? -4.567 1.854 18.858 1.00 89.85 14 A 1 ATOM 103 C CB . ALA A 1 14 ? -7.473 3.079 17.893 1.00 92.12 14 A 1 ATOM 104 N N . ASP A 1 15 ? -5.334 0.768 17.045 1.00 92.99 15 A 1 ATOM 105 C CA . ASP A 1 15 ? -4.771 -0.537 17.407 1.00 92.16 15 A 1 ATOM 106 C C . ASP A 1 15 ? -3.507 -0.915 16.628 1.00 93.52 15 A 1 ATOM 107 O O . ASP A 1 15 ? -2.835 -1.879 16.996 1.00 92.33 15 A 1 ATOM 108 C CB . ASP A 1 15 ? -5.839 -1.613 17.191 1.00 88.91 15 A 1 ATOM 109 C CG . ASP A 1 15 ? -7.081 -1.387 18.043 1.00 80.26 15 A 1 ATOM 110 O OD1 . ASP A 1 15 ? -6.914 -1.181 19.269 1.00 74.65 15 A 1 ATOM 111 O OD2 . ASP A 1 15 ? -8.182 -1.460 17.458 1.00 74.64 15 A 1 ATOM 112 N N . GLN A 1 16 ? -3.184 -0.221 15.528 1.00 92.57 16 A 1 ATOM 113 C CA . GLN A 1 16 ? -2.104 -0.588 14.612 1.00 93.46 16 A 1 ATOM 114 C C . GLN A 1 16 ? -1.270 0.619 14.183 1.00 93.86 16 A 1 ATOM 115 O O . GLN A 1 16 ? -1.804 1.640 13.758 1.00 93.74 16 A 1 ATOM 116 C CB . GLN A 1 16 ? -2.649 -1.288 13.355 1.00 93.26 16 A 1 ATOM 117 C CG . GLN A 1 16 ? -3.444 -2.568 13.636 1.00 91.37 16 A 1 ATOM 118 C CD . GLN A 1 16 ? -3.894 -3.282 12.362 1.00 90.01 16 A 1 ATOM 119 O OE1 . GLN A 1 16 ? -3.762 -2.817 11.237 1.00 84.55 16 A 1 ATOM 120 N NE2 . GLN A 1 16 ? -4.450 -4.467 12.494 1.00 82.18 16 A 1 ATOM 121 N N . TRP A 1 17 ? 0.058 0.454 14.171 1.00 95.74 17 A 1 ATOM 122 C CA . TRP A 1 17 ? 1.011 1.471 13.742 1.00 95.60 17 A 1 ATOM 123 C C . TRP A 1 17 ? 2.137 0.895 12.883 1.00 95.96 17 A 1 ATOM 124 O O . TRP A 1 17 ? 2.273 -0.321 12.711 1.00 95.26 17 A 1 ATOM 125 C CB . TRP A 1 17 ? 1.570 2.196 14.974 1.00 94.30 17 A 1 ATOM 126 C CG . TRP A 1 17 ? 2.380 1.331 15.897 1.00 92.19 17 A 1 ATOM 127 C CD1 . TRP A 1 17 ? 3.727 1.218 15.888 1.00 86.05 17 A 1 ATOM 128 C CD2 . TRP A 1 17 ? 1.912 0.482 16.979 1.00 90.02 17 A 1 ATOM 129 N NE1 . TRP A 1 17 ? 4.125 0.357 16.898 1.00 82.08 17 A 1 ATOM 130 C CE2 . TRP A 1 17 ? 3.045 -0.116 17.608 1.00 87.22 17 A 1 ATOM 131 C CE3 . TRP A 1 17 ? 0.644 0.166 17.510 1.00 81.65 17 A 1 ATOM 132 C CZ2 . TRP A 1 17 ? 2.932 -0.981 18.709 1.00 81.50 17 A 1 ATOM 133 C CZ3 . TRP A 1 17 ? 0.515 -0.705 18.610 1.00 76.93 17 A 1 ATOM 134 C CH2 . TRP A 1 17 ? 1.653 -1.277 19.212 1.00 76.17 17 A 1 ATOM 135 N N . ASN A 1 18 ? 2.990 1.785 12.328 1.00 95.61 18 A 1 ATOM 136 C CA . ASN A 1 18 ? 4.038 1.421 11.366 1.00 95.60 18 A 1 ATOM 137 C C . ASN A 1 18 ? 3.494 0.623 10.167 1.00 96.50 18 A 1 ATOM 138 O O . ASN A 1 18 ? 4.176 -0.262 9.627 1.00 95.41 18 A 1 ATOM 139 C CB . ASN A 1 18 ? 5.214 0.734 12.094 1.00 93.90 18 A 1 ATOM 140 C CG . ASN A 1 18 ? 6.106 1.712 12.824 1.00 84.62 18 A 1 ATOM 141 O OD1 . ASN A 1 18 ? 6.452 2.763 12.322 1.00 77.67 18 A 1 ATOM 142 N ND2 . ASN A 1 18 ? 6.601 1.372 13.988 1.00 75.23 18 A 1 ATOM 143 N N . ARG A 1 19 ? 2.265 0.938 9.759 1.00 96.22 19 A 1 ATOM 144 C CA . ARG A 1 19 ? 1.531 0.243 8.702 1.00 96.80 19 A 1 ATOM 145 C C . ARG A 1 19 ? 2.097 0.617 7.342 1.00 97.10 19 A 1 ATOM 146 O O . ARG A 1 19 ? 2.273 1.795 7.026 1.00 96.84 19 A 1 ATOM 147 C CB . ARG A 1 19 ? 0.034 0.562 8.801 1.00 96.52 19 A 1 ATOM 148 C CG . ARG A 1 19 ? -0.576 0.104 10.136 1.00 94.80 19 A 1 ATOM 149 C CD . ARG A 1 19 ? -2.013 0.595 10.290 1.00 93.58 19 A 1 ATOM 150 N NE . ARG A 1 19 ? -2.915 0.006 9.279 1.00 89.26 19 A 1 ATOM 151 C CZ . ARG A 1 19 ? -3.938 0.617 8.702 1.00 88.84 19 A 1 ATOM 152 N NH1 . ARG A 1 19 ? -4.250 1.851 8.960 1.00 80.53 19 A 1 ATOM 153 N NH2 . ARG A 1 19 ? -4.676 -0.006 7.845 1.00 78.95 19 A 1 ATOM 154 N N . ARG A 1 20 ? 2.392 -0.381 6.534 1.00 97.40 20 A 1 ATOM 155 C CA . ARG A 1 20 ? 2.910 -0.159 5.180 1.00 97.48 20 A 1 ATOM 156 C C . ARG A 1 20 ? 2.588 -1.336 4.277 1.00 97.76 20 A 1 ATOM 157 O O . ARG A 1 20 ? 2.603 -2.486 4.719 1.00 97.07 20 A 1 ATOM 158 C CB . ARG A 1 20 ? 4.419 0.145 5.220 1.00 96.33 20 A 1 ATOM 159 C CG . ARG A 1 20 ? 5.265 -0.990 5.819 1.00 92.47 20 A 1 ATOM 160 C CD . ARG A 1 20 ? 6.698 -0.514 6.066 1.00 91.06 20 A 1 ATOM 161 N NE . ARG A 1 20 ? 7.533 -1.547 6.716 1.00 83.07 20 A 1 ATOM 162 C CZ . ARG A 1 20 ? 7.582 -1.828 8.011 1.00 76.20 20 A 1 ATOM 163 N NH1 . ARG A 1 20 ? 6.806 -1.248 8.884 1.00 70.20 20 A 1 ATOM 164 N NH2 . ARG A 1 20 ? 8.427 -2.709 8.453 1.00 68.74 20 A 1 ATOM 165 N N . VAL A 1 21 ? 2.372 -1.040 2.997 1.00 97.49 21 A 1 ATOM 166 C CA . VAL A 1 21 ? 2.226 -2.036 1.937 1.00 97.35 21 A 1 ATOM 167 C C . VAL A 1 21 ? 3.431 -1.922 1.019 1.00 97.31 21 A 1 ATOM 168 O O . VAL A 1 21 ? 3.711 -0.850 0.498 1.00 96.66 21 A 1 ATOM 169 C CB . VAL A 1 21 ? 0.901 -1.863 1.173 1.00 96.59 21 A 1 ATOM 170 C CG1 . VAL A 1 21 ? 0.770 -2.897 0.051 1.00 91.36 21 A 1 ATOM 171 C CG2 . VAL A 1 21 ? -0.296 -2.057 2.113 1.00 92.22 21 A 1 ATOM 172 N N . HIS A 1 22 ? 4.145 -3.017 0.833 1.00 97.27 22 A 1 ATOM 173 C CA . HIS A 1 22 ? 5.150 -3.143 -0.221 1.00 96.93 22 A 1 ATOM 174 C C . HIS A 1 22 ? 4.517 -3.829 -1.426 1.00 96.96 22 A 1 ATOM 175 O O . HIS A 1 22 ? 3.914 -4.892 -1.269 1.00 96.31 22 A 1 ATOM 176 C CB . HIS A 1 22 ? 6.363 -3.934 0.272 1.00 95.83 22 A 1 ATOM 177 C CG . HIS A 1 22 ? 7.024 -3.348 1.487 1.00 80.11 22 A 1 ATOM 178 N ND1 . HIS A 1 22 ? 7.976 -2.360 1.499 1.00 68.54 22 A 1 ATOM 179 C CD2 . HIS A 1 22 ? 6.805 -3.703 2.797 1.00 67.49 22 A 1 ATOM 180 C CE1 . HIS A 1 22 ? 8.319 -2.119 2.779 1.00 64.79 22 A 1 ATOM 181 N NE2 . HIS A 1 22 ? 7.639 -2.925 3.609 1.00 67.09 22 A 1 ATOM 182 N N . ILE A 1 23 ? 4.696 -3.259 -2.604 1.00 96.77 23 A 1 ATOM 183 C CA . ILE A 1 23 ? 4.233 -3.813 -3.877 1.00 96.61 23 A 1 ATOM 184 C C . ILE A 1 23 ? 5.476 -4.135 -4.699 1.00 96.45 23 A 1 ATOM 185 O O . ILE A 1 23 ? 6.350 -3.290 -4.867 1.00 95.45 23 A 1 ATOM 186 C CB . ILE A 1 23 ? 3.279 -2.838 -4.601 1.00 96.08 23 A 1 ATOM 187 C CG1 . ILE A 1 23 ? 2.090 -2.453 -3.686 1.00 94.38 23 A 1 ATOM 188 C CG2 . ILE A 1 23 ? 2.782 -3.477 -5.913 1.00 94.22 23 A 1 ATOM 189 C CD1 . ILE A 1 23 ? 1.149 -1.397 -4.266 1.00 87.26 23 A 1 ATOM 190 N N . ASN A 1 24 ? 5.584 -5.366 -5.173 1.00 96.53 24 A 1 ATOM 191 C CA . ASN A 1 24 ? 6.695 -5.795 -6.017 1.00 96.24 24 A 1 ATOM 192 C C . ASN A 1 24 ? 6.287 -6.929 -6.961 1.00 96.66 24 A 1 ATOM 193 O O . ASN A 1 24 ? 5.184 -7.473 -6.870 1.00 96.18 24 A 1 ATOM 194 C CB . ASN A 1 24 ? 7.906 -6.150 -5.136 1.00 94.90 24 A 1 ATOM 195 C CG . ASN A 1 24 ? 7.707 -7.301 -4.158 1.00 92.45 24 A 1 ATOM 196 O OD1 . ASN A 1 24 ? 6.896 -8.202 -4.293 1.00 84.36 24 A 1 ATOM 197 N ND2 . ASN A 1 24 ? 8.497 -7.323 -3.114 1.00 85.12 24 A 1 ATOM 198 N N . VAL A 1 25 ? 7.202 -7.314 -7.840 1.00 96.29 25 A 1 ATOM 199 C CA . VAL A 1 25 ? 7.054 -8.514 -8.670 1.00 96.10 25 A 1 ATOM 200 C C . VAL A 1 25 ? 7.896 -9.631 -8.070 1.00 95.32 25 A 1 ATOM 201 O O . VAL A 1 25 ? 9.098 -9.477 -7.848 1.00 93.75 25 A 1 ATOM 202 C CB . VAL A 1 25 ? 7.419 -8.236 -10.139 1.00 95.70 25 A 1 ATOM 203 C CG1 . VAL A 1 25 ? 7.267 -9.498 -11.002 1.00 93.74 25 A 1 ATOM 204 C CG2 . VAL A 1 25 ? 6.507 -7.153 -10.731 1.00 94.18 25 A 1 ATOM 205 N N . ARG A 1 26 ? 7.271 -10.789 -7.800 1.00 94.59 26 A 1 ATOM 206 C CA . ARG A 1 26 ? 7.966 -11.987 -7.328 1.00 93.78 26 A 1 ATOM 207 C C . ARG A 1 26 ? 7.551 -13.188 -8.168 1.00 94.54 26 A 1 ATOM 208 O O . ARG A 1 26 ? 6.370 -13.483 -8.262 1.00 93.49 26 A 1 ATOM 209 C CB . ARG A 1 26 ? 7.689 -12.194 -5.828 1.00 91.85 26 A 1 ATOM 210 C CG . ARG A 1 26 ? 8.579 -13.310 -5.253 1.00 82.89 26 A 1 ATOM 211 C CD . ARG A 1 26 ? 8.338 -13.502 -3.758 1.00 80.22 26 A 1 ATOM 212 N NE . ARG A 1 26 ? 9.278 -14.496 -3.207 1.00 73.77 26 A 1 ATOM 213 C CZ . ARG A 1 26 ? 9.216 -15.079 -2.020 1.00 67.87 26 A 1 ATOM 214 N NH1 . ARG A 1 26 ? 8.264 -14.820 -1.176 1.00 61.35 26 A 1 ATOM 215 N NH2 . ARG A 1 26 ? 10.125 -15.945 -1.661 1.00 58.91 26 A 1 ATOM 216 N N . ASN A 1 27 ? 8.529 -13.889 -8.740 1.00 93.17 27 A 1 ATOM 217 C CA . ASN A 1 27 ? 8.293 -15.051 -9.607 1.00 93.81 27 A 1 ATOM 218 C C . ASN A 1 27 ? 7.286 -14.747 -10.739 1.00 94.80 27 A 1 ATOM 219 O O . ASN A 1 27 ? 6.370 -15.529 -10.987 1.00 93.99 27 A 1 ATOM 220 C CB . ASN A 1 27 ? 7.899 -16.276 -8.754 1.00 93.07 27 A 1 ATOM 221 C CG . ASN A 1 27 ? 8.913 -16.652 -7.686 1.00 90.14 27 A 1 ATOM 222 O OD1 . ASN A 1 27 ? 10.054 -16.225 -7.660 1.00 83.62 27 A 1 ATOM 223 N ND2 . ASN A 1 27 ? 8.514 -17.467 -6.736 1.00 81.55 27 A 1 ATOM 224 N N . GLY A 1 28 ? 7.415 -13.572 -11.358 1.00 95.03 28 A 1 ATOM 225 C CA . GLY A 1 28 ? 6.530 -13.134 -12.445 1.00 95.21 28 A 1 ATOM 226 C C . GLY A 1 28 ? 5.109 -12.746 -12.018 1.00 96.15 28 A 1 ATOM 227 O O . GLY A 1 28 ? 4.261 -12.573 -12.879 1.00 95.48 28 A 1 ATOM 228 N N . LYS A 1 29 ? 4.828 -12.619 -10.710 1.00 95.76 29 A 1 ATOM 229 C CA . LYS A 1 29 ? 3.496 -12.271 -10.192 1.00 96.40 29 A 1 ATOM 230 C C . LYS A 1 29 ? 3.532 -10.999 -9.351 1.00 96.71 29 A 1 ATOM 231 O O . LYS A 1 29 ? 4.455 -10.807 -8.552 1.00 96.30 29 A 1 ATOM 232 C CB . LYS A 1 29 ? 2.910 -13.441 -9.385 1.00 96.24 29 A 1 ATOM 233 C CG . LYS A 1 29 ? 2.672 -14.680 -10.261 1.00 94.93 29 A 1 ATOM 234 C CD . LYS A 1 29 ? 1.963 -15.785 -9.472 1.00 91.94 29 A 1 ATOM 235 C CE . LYS A 1 29 ? 1.729 -16.977 -10.404 1.00 86.69 29 A 1 ATOM 236 N NZ . LYS A 1 29 ? 0.890 -18.024 -9.768 1.00 78.68 29 A 1 ATOM 237 N N . ALA A 1 30 ? 2.497 -10.187 -9.478 1.00 96.91 30 A 1 ATOM 238 C CA . ALA A 1 30 ? 2.274 -9.053 -8.593 1.00 97.04 30 A 1 ATOM 239 C C . ALA A 1 30 ? 2.097 -9.542 -7.146 1.00 97.30 30 A 1 ATOM 240 O O . ALA A 1 30 ? 1.306 -10.444 -6.856 1.00 96.97 30 A 1 ATOM 241 C CB . ALA A 1 30 ? 1.057 -8.257 -9.085 1.00 96.74 30 A 1 ATOM 242 N N . THR A 1 31 ? 2.863 -8.967 -6.223 1.00 97.19 31 A 1 ATOM 243 C CA . THR A 1 31 ? 2.866 -9.361 -4.814 1.00 97.20 31 A 1 ATOM 244 C C . THR A 1 31 ? 2.732 -8.133 -3.930 1.00 97.18 31 A 1 ATOM 245 O O . THR A 1 31 ? 3.512 -7.192 -4.041 1.00 96.78 31 A 1 ATOM 246 C CB . THR A 1 31 ? 4.136 -10.154 -4.466 1.00 96.79 31 A 1 ATOM 247 O OG1 . THR A 1 31 ? 4.182 -11.350 -5.220 1.00 93.87 31 A 1 ATOM 248 C CG2 . THR A 1 31 ? 4.189 -10.573 -2.995 1.00 93.75 31 A 1 ATOM 249 N N . MET A 1 32 ? 1.781 -8.189 -3.003 1.00 97.16 32 A 1 ATOM 250 C CA . MET A 1 32 ? 1.585 -7.198 -1.950 1.00 97.14 32 A 1 ATOM 251 C C . MET A 1 32 ? 2.015 -7.783 -0.608 1.00 97.50 32 A 1 ATOM 252 O O . MET A 1 32 ? 1.669 -8.914 -0.263 1.00 96.98 32 A 1 ATOM 253 C CB . MET A 1 32 ? 0.124 -6.736 -1.915 1.00 95.81 32 A 1 ATOM 254 C CG . MET A 1 32 ? -0.306 -6.058 -3.225 1.00 85.02 32 A 1 ATOM 255 S SD . MET A 1 32 ? -2.044 -5.551 -3.257 1.00 84.67 32 A 1 ATOM 256 C CE . MET A 1 32 ? -2.016 -4.164 -2.087 1.00 73.89 32 A 1 ATOM 257 N N . VAL A 1 33 ? 2.783 -7.015 0.164 1.00 97.25 33 A 1 ATOM 258 C CA . VAL A 1 33 ? 3.210 -7.394 1.515 1.00 97.12 33 A 1 ATOM 259 C C . VAL A 1 33 ? 2.778 -6.310 2.487 1.00 97.29 33 A 1 ATOM 260 O O . VAL A 1 33 ? 3.397 -5.248 2.551 1.00 96.97 33 A 1 ATOM 261 C CB . VAL A 1 33 ? 4.727 -7.643 1.596 1.00 96.40 33 A 1 ATOM 262 C CG1 . VAL A 1 33 ? 5.109 -8.214 2.966 1.00 93.87 33 A 1 ATOM 263 C CG2 . VAL A 1 33 ? 5.203 -8.632 0.525 1.00 94.21 33 A 1 ATOM 264 N N . TYR A 1 34 ? 1.742 -6.592 3.254 1.00 96.95 34 A 1 ATOM 265 C CA . TYR A 1 34 ? 1.299 -5.717 4.331 1.00 96.91 34 A 1 ATOM 266 C C . TYR A 1 34 ? 2.107 -6.002 5.595 1.00 96.90 34 A 1 ATOM 267 O O . TYR A 1 34 ? 2.268 -7.156 5.993 1.00 96.83 34 A 1 ATOM 268 C CB . TYR A 1 34 ? -0.206 -5.891 4.543 1.00 96.56 34 A 1 ATOM 269 C CG . TYR A 1 34 ? -0.795 -4.990 5.617 1.00 93.66 34 A 1 ATOM 270 C CD1 . TYR A 1 34 ? -1.716 -5.514 6.548 1.00 89.06 34 A 1 ATOM 271 C CD2 . TYR A 1 34 ? -0.439 -3.630 5.689 1.00 89.16 34 A 1 ATOM 272 C CE1 . TYR A 1 34 ? -2.277 -4.687 7.536 1.00 86.22 34 A 1 ATOM 273 C CE2 . TYR A 1 34 ? -0.983 -2.800 6.686 1.00 87.03 34 A 1 ATOM 274 C CZ . TYR A 1 34 ? -1.906 -3.330 7.609 1.00 86.21 34 A 1 ATOM 275 O OH . TYR A 1 34 ? -2.433 -2.534 8.576 1.00 84.76 34 A 1 ATOM 276 N N . ARG A 1 35 ? 2.644 -4.951 6.212 1.00 97.25 35 A 1 ATOM 277 C CA . ARG A 1 35 ? 3.385 -5.024 7.476 1.00 97.39 35 A 1 ATOM 278 C C . ARG A 1 35 ? 2.827 -4.012 8.466 1.00 97.61 35 A 1 ATOM 279 O O . ARG A 1 35 ? 2.563 -2.875 8.082 1.00 97.21 35 A 1 ATOM 280 C CB . ARG A 1 35 ? 4.884 -4.785 7.256 1.00 96.76 35 A 1 ATOM 281 C CG . ARG A 1 35 ? 5.552 -5.876 6.406 1.00 92.39 35 A 1 ATOM 282 C CD . ARG A 1 35 ? 7.054 -5.590 6.307 1.00 88.99 35 A 1 ATOM 283 N NE . ARG A 1 35 ? 7.766 -6.651 5.576 1.00 79.09 35 A 1 ATOM 284 C CZ . ARG A 1 35 ? 9.031 -6.613 5.185 1.00 72.79 35 A 1 ATOM 285 N NH1 . ARG A 1 35 ? 9.788 -5.575 5.392 1.00 66.08 35 A 1 ATOM 286 N NH2 . ARG A 1 35 ? 9.559 -7.629 4.568 1.00 63.64 35 A 1 ATOM 287 N N . TRP A 1 36 ? 2.707 -4.410 9.715 1.00 96.96 36 A 1 ATOM 288 C CA . TRP A 1 36 ? 2.232 -3.554 10.803 1.00 96.87 36 A 1 ATOM 289 C C . TRP A 1 36 ? 2.754 -4.028 12.159 1.00 96.66 36 A 1 ATOM 290 O O . TRP A 1 36 ? 3.326 -5.113 12.287 1.00 96.38 36 A 1 ATOM 291 C CB . TRP A 1 36 ? 0.698 -3.508 10.788 1.00 96.61 36 A 1 ATOM 292 C CG . TRP A 1 36 ? -0.014 -4.756 11.242 1.00 96.39 36 A 1 ATOM 293 C CD1 . TRP A 1 36 ? -0.615 -4.922 12.445 1.00 95.50 36 A 1 ATOM 294 C CD2 . TRP A 1 36 ? -0.236 -6.002 10.515 1.00 96.17 36 A 1 ATOM 295 N NE1 . TRP A 1 36 ? -1.195 -6.174 12.513 1.00 94.53 36 A 1 ATOM 296 C CE2 . TRP A 1 36 ? -0.990 -6.883 11.347 1.00 95.42 36 A 1 ATOM 297 C CE3 . TRP A 1 36 ? 0.120 -6.479 9.236 1.00 94.51 36 A 1 ATOM 298 C CZ2 . TRP A 1 36 ? -1.371 -8.172 10.938 1.00 93.87 36 A 1 ATOM 299 C CZ3 . TRP A 1 36 ? -0.251 -7.769 8.817 1.00 94.02 36 A 1 ATOM 300 C CH2 . TRP A 1 36 ? -0.989 -8.611 9.659 1.00 93.28 36 A 1 ATOM 301 N N . LYS A 1 37 ? 2.555 -3.198 13.182 1.00 96.23 37 A 1 ATOM 302 C CA . LYS A 1 37 ? 2.585 -3.576 14.594 1.00 96.06 37 A 1 ATOM 303 C C . LYS A 1 37 ? 1.204 -3.331 15.191 1.00 96.14 37 A 1 ATOM 304 O O . LYS A 1 37 ? 0.478 -2.472 14.694 1.00 95.47 37 A 1 ATOM 305 C CB . LYS A 1 37 ? 3.641 -2.771 15.346 1.00 95.56 37 A 1 ATOM 306 C CG . LYS A 1 37 ? 5.071 -3.086 14.895 1.00 92.82 37 A 1 ATOM 307 C CD . LYS A 1 37 ? 6.049 -2.350 15.812 1.00 88.99 37 A 1 ATOM 308 C CE . LYS A 1 37 ? 7.486 -2.753 15.496 1.00 82.66 37 A 1 ATOM 309 N NZ . LYS A 1 37 ? 8.413 -2.224 16.526 1.00 73.10 37 A 1 ATOM 310 N N . ASP A 1 38 ? 0.868 -4.049 16.245 1.00 95.79 38 A 1 ATOM 311 C CA . ASP A 1 38 ? -0.384 -3.853 16.973 1.00 94.93 38 A 1 ATOM 312 C C . ASP A 1 38 ? -0.153 -3.691 18.480 1.00 94.58 38 A 1 ATOM 313 O O . ASP A 1 38 ? 0.943 -3.919 18.995 1.00 93.34 38 A 1 ATOM 314 C CB . ASP A 1 38 ? -1.394 -4.971 16.629 1.00 92.95 38 A 1 ATOM 315 C CG . ASP A 1 38 ? -0.990 -6.380 17.072 1.00 91.49 38 A 1 ATOM 316 O OD1 . ASP A 1 38 ? -0.261 -6.527 18.071 1.00 87.88 38 A 1 ATOM 317 O OD2 . ASP A 1 38 ? -1.427 -7.344 16.404 1.00 87.25 38 A 1 ATOM 318 N N . SER A 1 39 ? -1.197 -3.272 19.180 1.00 92.46 39 A 1 ATOM 319 C CA . SER A 1 39 ? -1.205 -3.099 20.637 1.00 89.92 39 A 1 ATOM 320 C C . SER A 1 39 ? -1.189 -4.421 21.418 1.00 89.96 39 A 1 ATOM 321 O O . SER A 1 39 ? -0.915 -4.420 22.616 1.00 86.78 39 A 1 ATOM 322 C CB . SER A 1 39 ? -2.437 -2.273 21.037 1.00 87.90 39 A 1 ATOM 323 O OG . SER A 1 39 ? -3.607 -2.889 20.532 1.00 82.68 39 A 1 ATOM 324 N N . LYS A 1 40 ? -1.461 -5.545 20.753 1.00 91.14 40 A 1 ATOM 325 C CA . LYS A 1 40 ? -1.612 -6.869 21.384 1.00 90.33 40 A 1 ATOM 326 C C . LYS A 1 40 ? -0.317 -7.683 21.399 1.00 90.86 40 A 1 ATOM 327 O O . LYS A 1 40 ? -0.217 -8.665 22.135 1.00 88.42 40 A 1 ATOM 328 C CB . LYS A 1 40 ? -2.730 -7.649 20.672 1.00 89.54 40 A 1 ATOM 329 C CG . LYS A 1 40 ? -4.091 -6.945 20.783 1.00 85.73 40 A 1 ATOM 330 C CD . LYS A 1 40 ? -5.192 -7.734 20.065 1.00 80.47 40 A 1 ATOM 331 C CE . LYS A 1 40 ? -6.501 -6.949 20.180 1.00 74.63 40 A 1 ATOM 332 N NZ . LYS A 1 40 ? -7.618 -7.592 19.447 1.00 66.18 40 A 1 ATOM 333 N N . SER A 1 41 ? 0.687 -7.300 20.576 1.00 91.79 41 A 1 ATOM 334 C CA . SER A 1 41 ? 1.929 -8.050 20.410 1.00 90.63 41 A 1 ATOM 335 C C . SER A 1 41 ? 3.122 -7.135 20.126 1.00 91.12 41 A 1 ATOM 336 O O . SER A 1 41 ? 3.057 -6.219 19.314 1.00 89.01 41 A 1 ATOM 337 C CB . SER A 1 41 ? 1.739 -9.044 19.260 1.00 88.02 41 A 1 ATOM 338 O OG . SER A 1 41 ? 2.912 -9.811 19.038 1.00 83.06 41 A 1 ATOM 339 N N . SER A 1 42 ? 4.279 -7.446 20.708 1.00 91.13 42 A 1 ATOM 340 C CA . SER A 1 42 ? 5.551 -6.789 20.376 1.00 90.64 42 A 1 ATOM 341 C C . SER A 1 42 ? 6.131 -7.216 19.016 1.00 91.25 42 A 1 ATOM 342 O O . SER A 1 42 ? 7.115 -6.636 18.543 1.00 88.47 42 A 1 ATOM 343 C CB . SER A 1 42 ? 6.564 -7.052 21.496 1.00 90.10 42 A 1 ATOM 344 O OG . SER A 1 42 ? 6.764 -8.446 21.659 1.00 85.22 42 A 1 ATOM 345 N N . LYS A 1 43 ? 5.538 -8.222 18.363 1.00 92.36 43 A 1 ATOM 346 C CA . LYS A 1 43 ? 6.015 -8.771 17.091 1.00 92.45 43 A 1 ATOM 347 C C . LYS A 1 43 ? 5.659 -7.857 15.915 1.00 93.85 43 A 1 ATOM 348 O O . LYS A 1 43 ? 4.639 -7.177 15.900 1.00 92.56 43 A 1 ATOM 349 C CB . LYS A 1 43 ? 5.477 -10.197 16.874 1.00 90.09 43 A 1 ATOM 350 C CG . LYS A 1 43 ? 5.997 -11.185 17.935 1.00 83.12 43 A 1 ATOM 351 C CD . LYS A 1 43 ? 5.463 -12.603 17.695 1.00 79.47 43 A 1 ATOM 352 C CE . LYS A 1 43 ? 5.981 -13.545 18.790 1.00 71.29 43 A 1 ATOM 353 N NZ . LYS A 1 43 ? 5.450 -14.923 18.645 1.00 63.39 43 A 1 ATOM 354 N N . ASN A 1 44 ? 6.506 -7.896 14.886 1.00 94.30 44 A 1 ATOM 355 C CA . ASN A 1 44 ? 6.164 -7.339 13.582 1.00 93.88 44 A 1 ATOM 356 C C . ASN A 1 44 ? 5.263 -8.336 12.842 1.00 94.89 44 A 1 ATOM 357 O O . ASN A 1 44 ? 5.670 -9.474 12.590 1.00 92.91 44 A 1 ATOM 358 C CB . ASN A 1 44 ? 7.440 -7.059 12.776 1.00 91.91 44 A 1 ATOM 359 C CG . ASN A 1 44 ? 8.327 -5.991 13.390 1.00 86.08 44 A 1 ATOM 360 O OD1 . ASN A 1 44 ? 7.920 -4.885 13.692 1.00 77.88 44 A 1 ATOM 361 N ND2 . ASN A 1 44 ? 9.596 -6.283 13.575 1.00 76.77 44 A 1 ATOM 362 N N . HIS A 1 45 ? 4.088 -7.884 12.440 1.00 96.19 45 A 1 ATOM 363 C CA . HIS A 1 45 ? 3.160 -8.669 11.640 1.00 96.32 45 A 1 ATOM 364 C C . HIS A 1 45 ? 3.453 -8.488 10.157 1.00 96.74 45 A 1 ATOM 365 O O . HIS A 1 45 ? 3.877 -7.424 9.697 1.00 96.09 45 A 1 ATOM 366 C CB . HIS A 1 45 ? 1.725 -8.296 12.003 1.00 95.58 45 A 1 ATOM 367 C CG . HIS A 1 45 ? 1.416 -8.620 13.438 1.00 94.72 45 A 1 ATOM 368 N ND1 . HIS A 1 45 ? 1.050 -9.863 13.930 1.00 87.74 45 A 1 ATOM 369 C CD2 . HIS A 1 45 ? 1.509 -7.743 14.483 1.00 87.56 45 A 1 ATOM 370 C CE1 . HIS A 1 45 ? 0.907 -9.721 15.256 1.00 88.56 45 A 1 ATOM 371 N NE2 . HIS A 1 45 ? 1.187 -8.459 15.627 1.00 89.33 45 A 1 ATOM 372 N N . THR A 1 46 ? 3.261 -9.554 9.399 1.00 97.03 46 A 1 ATOM 373 C CA . THR A 1 46 ? 3.442 -9.553 7.944 1.00 97.00 46 A 1 ATOM 374 C C . THR A 1 46 ? 2.407 -10.468 7.309 1.00 97.13 46 A 1 ATOM 375 O O . THR A 1 46 ? 2.351 -11.650 7.637 1.00 96.19 46 A 1 ATOM 376 C CB . THR A 1 46 ? 4.860 -10.004 7.552 1.00 95.79 46 A 1 ATOM 377 O OG1 . THR A 1 46 ? 5.820 -9.110 8.084 1.00 87.72 46 A 1 ATOM 378 C CG2 . THR A 1 46 ? 5.087 -10.027 6.043 1.00 87.45 46 A 1 ATOM 379 N N . GLN A 1 47 ? 1.654 -9.929 6.352 1.00 97.48 47 A 1 ATOM 380 C CA . GLN A 1 47 ? 0.754 -10.700 5.500 1.00 97.29 47 A 1 ATOM 381 C C . GLN A 1 47 ? 1.178 -10.514 4.050 1.00 97.51 47 A 1 ATOM 382 O O . GLN A 1 47 ? 1.372 -9.394 3.587 1.00 97.07 47 A 1 ATOM 383 C CB . GLN A 1 47 ? -0.693 -10.266 5.761 1.00 96.14 47 A 1 ATOM 384 C CG . GLN A 1 47 ? -1.705 -11.101 4.956 1.00 89.57 47 A 1 ATOM 385 C CD . GLN A 1 47 ? -3.143 -10.741 5.309 1.00 84.51 47 A 1 ATOM 386 O OE1 . GLN A 1 47 ? -3.419 -9.865 6.113 1.00 76.89 47 A 1 ATOM 387 N NE2 . GLN A 1 47 ? -4.119 -11.406 4.728 1.00 72.06 47 A 1 ATOM 388 N N . ARG A 1 48 ? 1.354 -11.622 3.337 1.00 97.40 48 A 1 ATOM 389 C CA . ARG A 1 48 ? 1.732 -11.615 1.921 1.00 97.42 48 A 1 ATOM 390 C C . ARG A 1 48 ? 0.567 -12.103 1.082 1.00 97.51 48 A 1 ATOM 391 O O . ARG A 1 48 ? -0.013 -13.145 1.377 1.00 96.59 48 A 1 ATOM 392 C CB . ARG A 1 48 ? 2.997 -12.460 1.716 1.00 96.25 48 A 1 ATOM 393 C CG . ARG A 1 48 ? 3.458 -12.469 0.246 1.00 89.58 48 A 1 ATOM 394 C CD . ARG A 1 48 ? 4.698 -13.353 0.047 1.00 87.61 48 A 1 ATOM 395 N NE . ARG A 1 48 ? 5.876 -12.851 0.780 1.00 80.06 48 A 1 ATOM 396 C CZ . ARG A 1 48 ? 6.751 -11.954 0.370 1.00 75.54 48 A 1 ATOM 397 N NH1 . ARG A 1 48 ? 6.678 -11.409 -0.814 1.00 67.24 48 A 1 ATOM 398 N NH2 . ARG A 1 48 ? 7.728 -11.578 1.148 1.00 65.91 48 A 1 ATOM 399 N N . MET A 1 49 ? 0.311 -11.390 -0.002 1.00 97.31 49 A 1 ATOM 400 C CA . MET A 1 49 ? -0.660 -11.763 -1.021 1.00 96.94 49 A 1 ATOM 401 C C . MET A 1 49 ? 0.040 -11.749 -2.377 1.00 97.44 49 A 1 ATOM 402 O O . MET A 1 49 ? 0.560 -10.717 -2.791 1.00 96.80 49 A 1 ATOM 403 C CB . MET A 1 49 ? -1.840 -10.788 -0.943 1.00 94.84 49 A 1 ATOM 404 C CG . MET A 1 49 ? -2.954 -11.155 -1.926 1.00 83.18 49 A 1 ATOM 405 S SD . MET A 1 49 ? -4.476 -10.209 -1.677 1.00 81.88 49 A 1 ATOM 406 C CE . MET A 1 49 ? -3.927 -8.523 -2.040 1.00 71.29 49 A 1 ATOM 407 N N . THR A 1 50 ? 0.097 -12.894 -3.039 1.00 97.53 50 A 1 ATOM 408 C CA . THR A 1 50 ? 0.630 -13.026 -4.404 1.00 97.45 50 A 1 ATOM 409 C C . THR A 1 50 ? -0.535 -13.312 -5.338 1.00 97.60 50 A 1 ATOM 410 O O . THR A 1 50 ? -1.293 -14.249 -5.097 1.00 97.04 50 A 1 ATOM 411 C CB . THR A 1 50 ? 1.704 -14.117 -4.492 1.00 96.62 50 A 1 ATOM 412 O OG1 . THR A 1 50 ? 2.789 -13.780 -3.644 1.00 93.09 50 A 1 ATOM 413 C CG2 . THR A 1 50 ? 2.280 -14.269 -5.898 1.00 91.68 50 A 1 ATOM 414 N N . LEU A 1 51 ? -0.676 -12.489 -6.371 1.00 97.69 51 A 1 ATOM 415 C CA . LEU A 1 51 ? -1.852 -12.426 -7.219 1.00 97.70 51 A 1 ATOM 416 C C . LEU A 1 51 ? -1.552 -13.015 -8.595 1.00 97.84 51 A 1 ATOM 417 O O . LEU A 1 51 ? -0.457 -12.839 -9.132 1.00 97.55 51 A 1 ATOM 418 C CB . LEU A 1 51 ? -2.306 -10.960 -7.324 1.00 97.49 51 A 1 ATOM 419 C CG . LEU A 1 51 ? -2.686 -10.297 -5.986 1.00 96.75 51 A 1 ATOM 420 C CD1 . LEU A 1 51 ? -2.944 -8.804 -6.194 1.00 95.43 51 A 1 ATOM 421 C CD2 . LEU A 1 51 ? -3.941 -10.932 -5.386 1.00 95.19 51 A 1 ATOM 422 N N . THR A 1 52 ? -2.541 -13.692 -9.180 1.00 97.82 52 A 1 ATOM 423 C CA . THR A 1 52 ? -2.556 -13.930 -10.628 1.00 97.82 52 A 1 ATOM 424 C C . THR A 1 52 ? -2.794 -12.606 -11.355 1.00 97.96 52 A 1 ATOM 425 O O . THR A 1 52 ? -3.261 -11.640 -10.743 1.00 97.93 52 A 1 ATOM 426 C CB . THR A 1 52 ? -3.626 -14.952 -11.044 1.00 97.79 52 A 1 ATOM 427 O OG1 . THR A 1 52 ? -4.921 -14.453 -10.825 1.00 96.77 52 A 1 ATOM 428 C CG2 . THR A 1 52 ? -3.513 -16.276 -10.285 1.00 95.83 52 A 1 ATOM 429 N N . ASP A 1 53 ? -2.522 -12.562 -12.658 1.00 97.91 53 A 1 ATOM 430 C CA . ASP A 1 53 ? -2.745 -11.348 -13.454 1.00 97.90 53 A 1 ATOM 431 C C . ASP A 1 53 ? -4.207 -10.898 -13.392 1.00 98.14 53 A 1 ATOM 432 O O . ASP A 1 53 ? -4.497 -9.727 -13.152 1.00 97.99 53 A 1 ATOM 433 C CB . ASP A 1 53 ? -2.303 -11.598 -14.903 1.00 97.26 53 A 1 ATOM 434 C CG . ASP A 1 53 ? -0.826 -11.998 -15.012 1.00 95.31 53 A 1 ATOM 435 O OD1 . ASP A 1 53 ? -0.057 -11.691 -14.067 1.00 92.55 53 A 1 ATOM 436 O OD2 . ASP A 1 53 ? -0.492 -12.690 -15.994 1.00 91.77 53 A 1 ATOM 437 N N . GLU A 1 54 ? -5.145 -11.845 -13.488 1.00 97.80 54 A 1 ATOM 438 C CA . GLU A 1 54 ? -6.576 -11.558 -13.360 1.00 97.98 54 A 1 ATOM 439 C C . GLU A 1 54 ? -6.927 -10.973 -11.984 1.00 98.00 54 A 1 ATOM 440 O O . GLU A 1 54 ? -7.639 -9.970 -11.892 1.00 97.82 54 A 1 ATOM 441 C CB . GLU A 1 54 ? -7.372 -12.843 -13.625 1.00 98.01 54 A 1 ATOM 442 C CG . GLU A 1 54 ? -8.881 -12.565 -13.581 1.00 95.04 54 A 1 ATOM 443 C CD . GLU A 1 54 ? -9.754 -13.795 -13.819 1.00 92.60 54 A 1 ATOM 444 O OE1 . GLU A 1 54 ? -10.989 -13.573 -13.898 1.00 85.77 54 A 1 ATOM 445 O OE2 . GLU A 1 54 ? -9.227 -14.925 -13.837 1.00 86.91 54 A 1 ATOM 446 N N . GLN A 1 55 ? -6.413 -11.567 -10.897 1.00 98.16 55 A 1 ATOM 447 C CA . GLN A 1 55 ? -6.649 -11.064 -9.544 1.00 98.06 55 A 1 ATOM 448 C C . GLN A 1 55 ? -6.054 -9.664 -9.351 1.00 98.07 55 A 1 ATOM 449 O O . GLN A 1 55 ? -6.701 -8.805 -8.753 1.00 97.95 55 A 1 ATOM 450 C CB . GLN A 1 55 ? -6.039 -12.028 -8.522 1.00 97.99 55 A 1 ATOM 451 C CG . GLN A 1 55 ? -6.835 -13.331 -8.368 1.00 97.39 55 A 1 ATOM 452 C CD . GLN A 1 55 ? -6.081 -14.361 -7.522 1.00 97.18 55 A 1 ATOM 453 O OE1 . GLN A 1 55 ? -4.863 -14.379 -7.425 1.00 94.18 55 A 1 ATOM 454 N NE2 . GLN A 1 55 ? -6.782 -15.270 -6.885 1.00 92.92 55 A 1 ATOM 455 N N . ALA A 1 56 ? -4.843 -9.424 -9.871 1.00 97.97 56 A 1 ATOM 456 C CA . ALA A 1 56 ? -4.189 -8.124 -9.797 1.00 97.72 56 A 1 ATOM 457 C C . ALA A 1 56 ? -4.994 -7.052 -10.544 1.00 97.72 56 A 1 ATOM 458 O O . ALA A 1 56 ? -5.306 -6.008 -9.970 1.00 97.40 56 A 1 ATOM 459 C CB . ALA A 1 56 ? -2.761 -8.258 -10.343 1.00 97.35 56 A 1 ATOM 460 N N . LEU A 1 57 ? -5.403 -7.337 -11.784 1.00 97.79 57 A 1 ATOM 461 C CA . LEU A 1 57 ? -6.198 -6.411 -12.593 1.00 97.70 57 A 1 ATOM 462 C C . LEU A 1 57 ? -7.577 -6.142 -11.980 1.00 97.70 57 A 1 ATOM 463 O O . LEU A 1 57 ? -8.020 -4.995 -11.941 1.00 97.51 57 A 1 ATOM 464 C CB . LEU A 1 57 ? -6.330 -6.975 -14.017 1.00 97.56 57 A 1 ATOM 465 C CG . LEU A 1 57 ? -5.018 -6.993 -14.825 1.00 96.38 57 A 1 ATOM 466 C CD1 . LEU A 1 57 ? -5.250 -7.725 -16.147 1.00 94.58 57 A 1 ATOM 467 C CD2 . LEU A 1 57 ? -4.509 -5.584 -15.133 1.00 94.54 57 A 1 ATOM 468 N N . ARG A 1 58 ? -8.246 -7.168 -11.432 1.00 97.95 58 A 1 ATOM 469 C CA . ARG A 1 58 ? -9.521 -6.999 -10.709 1.00 97.89 58 A 1 ATOM 470 C C . ARG A 1 58 ? -9.354 -6.122 -9.471 1.00 97.89 58 A 1 ATOM 471 O O . ARG A 1 58 ? -10.172 -5.234 -9.253 1.00 97.66 58 A 1 ATOM 472 C CB . ARG A 1 58 ? -10.112 -8.362 -10.317 1.00 97.94 58 A 1 ATOM 473 C CG . ARG A 1 58 ? -10.750 -9.113 -11.501 1.00 93.14 58 A 1 ATOM 474 C CD . ARG A 1 58 ? -11.311 -10.454 -11.001 1.00 91.92 58 A 1 ATOM 475 N NE . ARG A 1 58 ? -11.948 -11.239 -12.079 1.00 84.58 58 A 1 ATOM 476 C CZ . ARG A 1 58 ? -13.010 -12.018 -11.981 1.00 79.37 58 A 1 ATOM 477 N NH1 . ARG A 1 58 ? -13.704 -12.134 -10.884 1.00 73.86 58 A 1 ATOM 478 N NH2 . ARG A 1 58 ? -13.395 -12.728 -13.002 1.00 71.02 58 A 1 ATOM 479 N N . LEU A 1 59 ? -8.288 -6.343 -8.686 1.00 97.78 59 A 1 ATOM 480 C CA . LEU A 1 59 ? -8.007 -5.552 -7.487 1.00 97.47 59 A 1 ATOM 481 C C . LEU A 1 59 ? -7.729 -4.087 -7.833 1.00 97.40 59 A 1 ATOM 482 O O . LEU A 1 59 ? -8.322 -3.200 -7.223 1.00 97.12 59 A 1 ATOM 483 C CB . LEU A 1 59 ? -6.831 -6.188 -6.721 1.00 97.20 59 A 1 ATOM 484 C CG . LEU A 1 59 ? -6.433 -5.421 -5.442 1.00 95.29 59 A 1 ATOM 485 C CD1 . LEU A 1 59 ? -7.556 -5.398 -4.406 1.00 91.91 59 A 1 ATOM 486 C CD2 . LEU A 1 59 ? -5.213 -6.091 -4.806 1.00 91.39 59 A 1 ATOM 487 N N . VAL A 1 60 ? -6.863 -3.832 -8.824 1.00 97.26 60 A 1 ATOM 488 C CA . VAL A 1 60 ? -6.558 -2.473 -9.295 1.00 96.69 60 A 1 ATOM 489 C C . VAL A 1 60 ? -7.830 -1.781 -9.776 1.00 96.95 60 A 1 ATOM 490 O O . VAL A 1 60 ? -8.148 -0.699 -9.294 1.00 96.58 60 A 1 ATOM 491 C CB . VAL A 1 60 ? -5.477 -2.496 -10.396 1.00 95.54 60 A 1 ATOM 492 C CG1 . VAL A 1 60 ? -5.287 -1.127 -11.063 1.00 91.72 60 A 1 ATOM 493 C CG2 . VAL A 1 60 ? -4.122 -2.912 -9.812 1.00 92.19 60 A 1 ATOM 494 N N . ASN A 1 61 ? -8.615 -2.423 -10.646 1.00 96.43 61 A 1 ATOM 495 C CA . ASN A 1 61 ? -9.864 -1.855 -11.159 1.00 96.48 61 A 1 ATOM 496 C C . ASN A 1 61 ? -10.868 -1.537 -10.035 1.00 96.57 61 A 1 ATOM 497 O O . ASN A 1 61 ? -11.474 -0.467 -10.026 1.00 96.70 61 A 1 ATOM 498 C CB . ASN A 1 61 ? -10.442 -2.847 -12.177 1.00 96.53 61 A 1 ATOM 499 C CG . ASN A 1 61 ? -11.780 -2.422 -12.764 1.00 92.17 61 A 1 ATOM 500 O OD1 . ASN A 1 61 ? -12.015 -1.310 -13.201 1.00 84.90 61 A 1 ATOM 501 N ND2 . ASN A 1 61 ? -12.730 -3.326 -12.803 1.00 83.48 61 A 1 ATOM 502 N N . ALA A 1 62 ? -11.033 -2.445 -9.065 1.00 97.54 62 A 1 ATOM 503 C CA . ALA A 1 62 ? -11.924 -2.222 -7.928 1.00 97.35 62 A 1 ATOM 504 C C . ALA A 1 62 ? -11.448 -1.054 -7.052 1.00 97.17 62 A 1 ATOM 505 O O . ALA A 1 62 ? -12.252 -0.198 -6.684 1.00 96.68 62 A 1 ATOM 506 C CB . ALA A 1 62 ? -12.034 -3.524 -7.125 1.00 97.45 62 A 1 ATOM 507 N N . LEU A 1 63 ? -10.138 -0.982 -6.760 1.00 97.20 63 A 1 ATOM 508 C CA . LEU A 1 63 ? -9.551 0.086 -5.958 1.00 96.57 63 A 1 ATOM 509 C C . LEU A 1 63 ? -9.646 1.442 -6.663 1.00 96.52 63 A 1 ATOM 510 O O . LEU A 1 63 ? -10.033 2.422 -6.032 1.00 95.96 63 A 1 ATOM 511 C CB . LEU A 1 63 ? -8.096 -0.287 -5.619 1.00 95.75 63 A 1 ATOM 512 C CG . LEU A 1 63 ? -7.393 0.715 -4.681 1.00 87.94 63 A 1 ATOM 513 C CD1 . LEU A 1 63 ? -8.077 0.801 -3.314 1.00 86.18 63 A 1 ATOM 514 C CD2 . LEU A 1 63 ? -5.943 0.272 -4.463 1.00 86.61 63 A 1 ATOM 515 N N . THR A 1 64 ? -9.350 1.491 -7.964 1.00 96.16 64 A 1 ATOM 516 C CA . THR A 1 64 ? -9.479 2.715 -8.767 1.00 95.73 64 A 1 ATOM 517 C C . THR A 1 64 ? -10.918 3.223 -8.771 1.00 96.09 64 A 1 ATOM 518 O O . THR A 1 64 ? -11.147 4.395 -8.478 1.00 95.67 64 A 1 ATOM 519 C CB . THR A 1 64 ? -9.001 2.481 -10.211 1.00 94.80 64 A 1 ATOM 520 O OG1 . THR A 1 64 ? -7.655 2.088 -10.207 1.00 92.32 64 A 1 ATOM 521 C CG2 . THR A 1 64 ? -9.090 3.735 -11.084 1.00 91.67 64 A 1 ATOM 522 N N . LYS A 1 65 ? -11.901 2.349 -9.022 1.00 95.11 65 A 1 ATOM 523 C CA . LYS A 1 65 ? -13.320 2.733 -8.979 1.00 95.65 65 A 1 ATOM 524 C C . LYS A 1 65 ? -13.717 3.279 -7.611 1.00 95.89 65 A 1 ATOM 525 O O . LYS A 1 65 ? -14.302 4.354 -7.540 1.00 96.10 65 A 1 ATOM 526 C CB . LYS A 1 65 ? -14.207 1.541 -9.360 1.00 96.16 65 A 1 ATOM 527 C CG . LYS A 1 65 ? -14.163 1.280 -10.871 1.00 91.92 65 A 1 ATOM 528 C CD . LYS A 1 65 ? -14.961 0.015 -11.207 1.00 90.14 65 A 1 ATOM 529 C CE . LYS A 1 65 ? -14.947 -0.184 -12.725 1.00 84.05 65 A 1 ATOM 530 N NZ . LYS A 1 65 ? -15.651 -1.427 -13.111 1.00 76.75 65 A 1 ATOM 531 N N . ALA A 1 66 ? -13.345 2.572 -6.533 1.00 96.77 66 A 1 ATOM 532 C CA . ALA A 1 66 ? -13.656 3.012 -5.176 1.00 96.60 66 A 1 ATOM 533 C C . ALA A 1 66 ? -13.006 4.367 -4.839 1.00 96.29 66 A 1 ATOM 534 O O . ALA A 1 66 ? -13.658 5.229 -4.255 1.00 95.97 66 A 1 ATOM 535 C CB . ALA A 1 66 ? -13.215 1.916 -4.197 1.00 96.83 66 A 1 ATOM 536 N N . ALA A 1 67 ? -11.744 4.574 -5.234 1.00 96.82 67 A 1 ATOM 537 C CA . ALA A 1 67 ? -11.039 5.834 -5.020 1.00 96.16 67 A 1 ATOM 538 C C . ALA A 1 67 ? -11.702 6.993 -5.777 1.00 96.31 67 A 1 ATOM 539 O O . ALA A 1 67 ? -11.983 8.027 -5.175 1.00 95.67 67 A 1 ATOM 540 C CB . ALA A 1 67 ? -9.570 5.659 -5.425 1.00 95.56 67 A 1 ATOM 541 N N . VAL A 1 68 ? -12.002 6.804 -7.066 1.00 94.89 68 A 1 ATOM 542 C CA . VAL A 1 68 ? -12.666 7.821 -7.897 1.00 94.66 68 A 1 ATOM 543 C C . VAL A 1 68 ? -14.037 8.181 -7.329 1.00 95.64 68 A 1 ATOM 544 O O . VAL A 1 68 ? -14.320 9.361 -7.144 1.00 95.72 68 A 1 ATOM 545 C CB . VAL A 1 68 ? -12.766 7.353 -9.364 1.00 93.77 68 A 1 ATOM 546 C CG1 . VAL A 1 68 ? -13.643 8.274 -10.225 1.00 90.71 68 A 1 ATOM 547 C CG2 . VAL A 1 68 ? -11.371 7.322 -10.010 1.00 90.94 68 A 1 ATOM 548 N N . THR A 1 69 ? -14.854 7.185 -6.985 1.00 95.44 69 A 1 ATOM 549 C CA . THR A 1 69 ? -16.171 7.421 -6.373 1.00 95.95 69 A 1 ATOM 550 C C . THR A 1 69 ? -16.044 8.204 -5.068 1.00 96.01 69 A 1 ATOM 551 O O . THR A 1 69 ? -16.681 9.240 -4.913 1.00 95.79 69 A 1 ATOM 552 C CB . THR A 1 69 ? -16.912 6.093 -6.143 1.00 96.27 69 A 1 ATOM 553 O OG1 . THR A 1 69 ? -17.142 5.460 -7.379 1.00 93.64 69 A 1 ATOM 554 C CG2 . THR A 1 69 ? -18.278 6.262 -5.488 1.00 92.95 69 A 1 ATOM 555 N N . ALA A 1 70 ? -15.148 7.785 -4.157 1.00 96.35 70 A 1 ATOM 556 C CA . ALA A 1 70 ? -14.966 8.456 -2.869 1.00 96.05 70 A 1 ATOM 557 C C . ALA A 1 70 ? -14.444 9.900 -3.004 1.00 96.27 70 A 1 ATOM 558 O O . ALA A 1 70 ? -14.797 10.771 -2.209 1.00 95.81 70 A 1 ATOM 559 C CB . ALA A 1 70 ? -14.003 7.610 -2.025 1.00 95.89 70 A 1 ATOM 560 N N . ILE A 1 71 ? -13.568 10.161 -3.990 1.00 95.33 71 A 1 ATOM 561 C CA . ILE A 1 71 ? -13.073 11.511 -4.300 1.00 95.44 71 A 1 ATOM 562 C C . ILE A 1 71 ? -14.215 12.394 -4.804 1.00 95.70 71 A 1 ATOM 563 O O . ILE A 1 71 ? -14.350 13.529 -4.344 1.00 95.49 71 A 1 ATOM 564 C CB . ILE A 1 71 ? -11.912 11.421 -5.320 1.00 95.56 71 A 1 ATOM 565 C CG1 . ILE A 1 71 ? -10.642 10.869 -4.629 1.00 95.19 71 A 1 ATOM 566 C CG2 . ILE A 1 71 ? -11.603 12.784 -5.969 1.00 95.28 71 A 1 ATOM 567 C CD1 . ILE A 1 71 ? -9.594 10.342 -5.616 1.00 93.40 71 A 1 ATOM 568 N N . HIS A 1 72 ? -15.035 11.859 -5.710 1.00 95.68 72 A 1 ATOM 569 C CA . HIS A 1 72 ? -16.154 12.580 -6.312 1.00 95.50 72 A 1 ATOM 570 C C . HIS A 1 72 ? -17.251 12.897 -5.292 1.00 96.15 72 A 1 ATOM 571 O O . HIS A 1 72 ? -17.669 14.046 -5.179 1.00 96.14 72 A 1 ATOM 572 C CB . HIS A 1 72 ? -16.703 11.770 -7.498 1.00 94.82 72 A 1 ATOM 573 C CG . HIS A 1 72 ? -16.831 12.598 -8.741 1.00 88.26 72 A 1 ATOM 574 N ND1 . HIS A 1 72 ? -17.848 13.476 -9.023 1.00 75.63 72 A 1 ATOM 575 C CD2 . HIS A 1 72 ? -15.944 12.644 -9.785 1.00 75.17 72 A 1 ATOM 576 C CE1 . HIS A 1 72 ? -17.583 14.044 -10.215 1.00 76.41 72 A 1 ATOM 577 N NE2 . HIS A 1 72 ? -16.433 13.565 -10.716 1.00 78.40 72 A 1 ATOM 578 N N . GLU A 1 73 ? -17.660 11.900 -4.504 1.00 95.98 73 A 1 ATOM 579 C CA . GLU A 1 73 ? -18.702 12.061 -3.476 1.00 96.13 73 A 1 ATOM 580 C C . GLU A 1 73 ? -18.292 13.053 -2.380 1.00 96.11 73 A 1 ATOM 581 O O . GLU A 1 73 ? -19.122 13.795 -1.864 1.00 95.38 73 A 1 ATOM 582 C CB . GLU A 1 73 ? -19.010 10.703 -2.830 1.00 96.18 73 A 1 ATOM 583 C CG . GLU A 1 73 ? -19.797 9.767 -3.759 1.00 93.05 73 A 1 ATOM 584 C CD . GLU A 1 73 ? -20.068 8.386 -3.137 1.00 91.36 73 A 1 ATOM 585 O OE1 . GLU A 1 73 ? -20.888 7.645 -3.727 1.00 84.28 73 A 1 ATOM 586 O OE2 . GLU A 1 73 ? -19.441 8.049 -2.105 1.00 86.17 73 A 1 ATOM 587 N N . ALA A 1 74 ? -16.993 13.085 -2.045 1.00 96.18 74 A 1 ATOM 588 C CA . ALA A 1 74 ? -16.465 14.014 -1.051 1.00 95.36 74 A 1 ATOM 589 C C . ALA A 1 74 ? -16.095 15.401 -1.623 1.00 95.70 74 A 1 ATOM 590 O O . ALA A 1 74 ? -15.607 16.244 -0.868 1.00 94.36 74 A 1 ATOM 591 C CB . ALA A 1 74 ? -15.290 13.334 -0.343 1.00 94.70 74 A 1 ATOM 592 N N . GLY A 1 75 ? -16.249 15.632 -2.932 1.00 95.97 75 A 1 ATOM 593 C CA . GLY A 1 75 ? -15.899 16.902 -3.583 1.00 95.75 75 A 1 ATOM 594 C C . GLY A 1 75 ? -14.397 17.228 -3.584 1.00 96.18 75 A 1 ATOM 595 O O . GLY A 1 75 ? -14.022 18.391 -3.703 1.00 94.76 75 A 1 ATOM 596 N N . ARG A 1 76 ? -13.513 16.218 -3.440 1.00 96.05 76 A 1 ATOM 597 C CA . ARG A 1 76 ? -12.047 16.371 -3.288 1.00 95.68 76 A 1 ATOM 598 C C . ARG A 1 76 ? -11.277 16.211 -4.603 1.00 96.25 76 A 1 ATOM 599 O O . ARG A 1 76 ? -10.147 15.716 -4.610 1.00 95.83 76 A 1 ATOM 600 C CB . ARG A 1 76 ? -11.532 15.414 -2.202 1.00 94.61 76 A 1 ATOM 601 C CG . ARG A 1 76 ? -12.096 15.750 -0.813 1.00 93.18 76 A 1 ATOM 602 C CD . ARG A 1 76 ? -11.520 14.812 0.254 1.00 91.06 76 A 1 ATOM 603 N NE . ARG A 1 76 ? -11.972 13.413 0.046 1.00 87.50 76 A 1 ATOM 604 C CZ . ARG A 1 76 ? -11.229 12.321 0.041 1.00 84.61 76 A 1 ATOM 605 N NH1 . ARG A 1 76 ? -9.946 12.355 0.251 1.00 78.69 76 A 1 ATOM 606 N NH2 . ARG A 1 76 ? -11.777 11.159 -0.181 1.00 78.98 76 A 1 ATOM 607 N N . VAL A 1 77 ? -11.876 16.585 -5.729 1.00 94.48 77 A 1 ATOM 608 C CA . VAL A 1 77 ? -11.273 16.387 -7.061 1.00 94.15 77 A 1 ATOM 609 C C . VAL A 1 77 ? -9.978 17.194 -7.219 1.00 94.19 77 A 1 ATOM 610 O O . VAL A 1 77 ? -8.976 16.653 -7.681 1.00 94.48 77 A 1 ATOM 611 C CB . VAL A 1 77 ? -12.281 16.727 -8.178 1.00 93.63 77 A 1 ATOM 612 C CG1 . VAL A 1 77 ? -11.671 16.565 -9.574 1.00 90.74 77 A 1 ATOM 613 C CG2 . VAL A 1 77 ? -13.509 15.810 -8.091 1.00 91.49 77 A 1 ATOM 614 N N . ASN A 1 78 ? -9.956 18.446 -6.774 1.00 94.39 78 A 1 ATOM 615 C CA . ASN A 1 78 ? -8.778 19.310 -6.897 1.00 93.71 78 A 1 ATOM 616 C C . ASN A 1 78 ? -7.604 18.800 -6.052 1.00 93.69 78 A 1 ATOM 617 O O . ASN A 1 78 ? -6.468 18.762 -6.519 1.00 94.07 78 A 1 ATOM 618 C CB . ASN A 1 78 ? -9.167 20.745 -6.507 1.00 93.85 78 A 1 ATOM 619 C CG . ASN A 1 78 ? -10.160 21.378 -7.471 1.00 90.97 78 A 1 ATOM 620 O OD1 . ASN A 1 78 ? -10.258 21.037 -8.638 1.00 84.81 78 A 1 ATOM 621 N ND2 . ASN A 1 78 ? -10.941 22.327 -7.010 1.00 83.89 78 A 1 ATOM 622 N N . GLU A 1 79 ? -7.866 18.348 -4.826 1.00 94.71 79 A 1 ATOM 623 C CA . GLU A 1 79 ? -6.850 17.751 -3.953 1.00 94.32 79 A 1 ATOM 624 C C . GLU A 1 79 ? -6.301 16.448 -4.540 1.00 94.26 79 A 1 ATOM 625 O O . GLU A 1 79 ? -5.101 16.191 -4.451 1.00 93.86 79 A 1 ATOM 626 C CB . GLU A 1 79 ? -7.413 17.470 -2.551 1.00 94.35 79 A 1 ATOM 627 C CG . GLU A 1 79 ? -7.899 18.718 -1.795 1.00 89.15 79 A 1 ATOM 628 C CD . GLU A 1 79 ? -9.362 19.098 -2.063 1.00 86.92 79 A 1 ATOM 629 O OE1 . GLU A 1 79 ? -9.908 19.846 -1.225 1.00 78.49 79 A 1 ATOM 630 O OE2 . GLU A 1 79 ? -9.939 18.620 -3.065 1.00 80.53 79 A 1 ATOM 631 N N . ALA A 1 80 ? -7.156 15.636 -5.163 1.00 95.24 80 A 1 ATOM 632 C CA . ALA A 1 80 ? -6.734 14.407 -5.820 1.00 94.36 80 A 1 ATOM 633 C C . ALA A 1 80 ? -5.829 14.686 -7.032 1.00 93.98 80 A 1 ATOM 634 O O . ALA A 1 80 ? -4.807 14.016 -7.179 1.00 93.59 80 A 1 ATOM 635 C CB . ALA A 1 80 ? -7.975 13.601 -6.210 1.00 94.25 80 A 1 ATOM 636 N N . MET A 1 81 ? -6.145 15.699 -7.846 1.00 93.69 81 A 1 ATOM 637 C CA . MET A 1 81 ? -5.284 16.111 -8.963 1.00 93.24 81 A 1 ATOM 638 C C . MET A 1 81 ? -3.920 16.596 -8.466 1.00 93.49 81 A 1 ATOM 639 O O . MET A 1 81 ? -2.892 16.113 -8.934 1.00 93.45 81 A 1 ATOM 640 C CB . MET A 1 81 ? -5.977 17.187 -9.816 1.00 92.02 81 A 1 ATOM 641 C CG . MET A 1 81 ? -7.214 16.643 -10.546 1.00 87.81 81 A 1 ATOM 642 S SD . MET A 1 81 ? -6.883 15.273 -11.692 1.00 82.25 81 A 1 ATOM 643 C CE . MET A 1 81 ? -8.579 14.855 -12.171 1.00 72.98 81 A 1 ATOM 644 N N . ALA A 1 82 ? -3.881 17.420 -7.422 1.00 94.42 82 A 1 ATOM 645 C CA . ALA A 1 82 ? -2.622 17.866 -6.816 1.00 94.26 82 A 1 ATOM 646 C C . ALA A 1 82 ? -1.775 16.726 -6.212 1.00 94.11 82 A 1 ATOM 647 O O . ALA A 1 82 ? -0.561 16.878 -6.029 1.00 93.20 82 A 1 ATOM 648 C CB . ALA A 1 82 ? -2.965 18.907 -5.742 1.00 94.48 82 A 1 ATOM 649 N N . ILE A 1 83 ? -2.387 15.609 -5.842 1.00 94.86 83 A 1 ATOM 650 C CA . ILE A 1 83 ? -1.669 14.398 -5.416 1.00 93.60 83 A 1 ATOM 651 C C . ILE A 1 83 ? -1.086 13.673 -6.629 1.00 92.82 83 A 1 ATOM 652 O O . ILE A 1 83 ? 0.074 13.271 -6.569 1.00 91.96 83 A 1 ATOM 653 C CB . ILE A 1 83 ? -2.576 13.482 -4.561 1.00 93.45 83 A 1 ATOM 654 C CG1 . ILE A 1 83 ? -2.856 14.135 -3.186 1.00 92.21 83 A 1 ATOM 655 C CG2 . ILE A 1 83 ? -1.944 12.092 -4.352 1.00 92.22 83 A 1 ATOM 656 C CD1 . ILE A 1 83 ? -4.041 13.507 -2.438 1.00 88.08 83 A 1 ATOM 657 N N . LEU A 1 84 ? -1.854 13.521 -7.716 1.00 92.49 84 A 1 ATOM 658 C CA . LEU A 1 84 ? -1.381 12.872 -8.944 1.00 91.09 84 A 1 ATOM 659 C C . LEU A 1 84 ? -0.179 13.614 -9.537 1.00 90.76 84 A 1 ATOM 660 O O . LEU A 1 84 ? 0.847 12.986 -9.790 1.00 90.48 84 A 1 ATOM 661 C CB . LEU A 1 84 ? -2.529 12.762 -9.963 1.00 90.63 84 A 1 ATOM 662 C CG . LEU A 1 84 ? -3.629 11.757 -9.574 1.00 85.67 84 A 1 ATOM 663 C CD1 . LEU A 1 84 ? -4.791 11.853 -10.563 1.00 83.38 84 A 1 ATOM 664 C CD2 . LEU A 1 84 ? -3.130 10.311 -9.571 1.00 83.82 84 A 1 ATOM 665 N N . ASP A 1 85 ? -0.239 14.941 -9.608 1.00 91.62 85 A 1 ATOM 666 C CA . ASP A 1 85 ? 0.872 15.776 -10.084 1.00 91.38 85 A 1 ATOM 667 C C . ASP A 1 85 ? 2.173 15.563 -9.287 1.00 90.63 85 A 1 ATOM 668 O O . ASP A 1 85 ? 3.268 15.746 -9.811 1.00 89.91 85 A 1 ATOM 669 C CB . ASP A 1 85 ? 0.485 17.262 -9.970 1.00 92.22 85 A 1 ATOM 670 C CG . ASP A 1 85 ? -0.656 17.712 -10.891 1.00 88.59 85 A 1 ATOM 671 O OD1 . ASP A 1 85 ? -0.928 17.028 -11.901 1.00 84.14 85 A 1 ATOM 672 O OD2 . ASP A 1 85 ? -1.245 18.771 -10.569 1.00 84.83 85 A 1 ATOM 673 N N . LYS A 1 86 ? 2.084 15.189 -7.999 1.00 91.97 86 A 1 ATOM 674 C CA . LYS A 1 86 ? 3.249 14.884 -7.148 1.00 90.15 86 A 1 ATOM 675 C C . LYS A 1 86 ? 3.770 13.462 -7.319 1.00 88.65 86 A 1 ATOM 676 O O . LYS A 1 86 ? 4.906 13.203 -6.932 1.00 86.41 86 A 1 ATOM 677 C CB . LYS A 1 86 ? 2.897 15.099 -5.672 1.00 90.56 86 A 1 ATOM 678 C CG . LYS A 1 86 ? 2.715 16.578 -5.328 1.00 85.77 86 A 1 ATOM 679 C CD . LYS A 1 86 ? 2.203 16.692 -3.888 1.00 82.69 86 A 1 ATOM 680 C CE . LYS A 1 86 ? 1.898 18.159 -3.602 1.00 76.83 86 A 1 ATOM 681 N NZ . LYS A 1 86 ? 1.291 18.322 -2.257 1.00 69.13 86 A 1 ATOM 682 N N . ILE A 1 87 ? 2.935 12.543 -7.789 1.00 89.55 87 A 1 ATOM 683 C CA . ILE A 1 87 ? 3.314 11.144 -8.022 1.00 86.51 87 A 1 ATOM 684 C C . ILE A 1 87 ? 4.038 11.013 -9.366 1.00 83.60 87 A 1 ATOM 685 O O . ILE A 1 87 ? 4.956 10.204 -9.479 1.00 78.49 87 A 1 ATOM 686 C CB . ILE A 1 87 ? 2.070 10.229 -7.921 1.00 85.54 87 A 1 ATOM 687 C CG1 . ILE A 1 87 ? 1.545 10.199 -6.467 1.00 82.03 87 A 1 ATOM 688 C CG2 . ILE A 1 87 ? 2.375 8.797 -8.395 1.00 79.72 87 A 1 ATOM 689 C CD1 . ILE A 1 87 ? 0.154 9.563 -6.315 1.00 78.08 87 A 1 ATOM 690 N N . ASP A 1 88 ? 3.655 11.833 -10.350 1.00 82.98 88 A 1 ATOM 691 C CA . ASP A 1 88 ? 4.208 11.796 -11.705 1.00 79.99 88 A 1 ATOM 692 C C . ASP A 1 88 ? 5.542 12.567 -11.853 1.00 76.76 88 A 1 ATOM 693 O O . ASP A 1 88 ? 6.175 12.490 -12.910 1.00 72.32 88 A 1 ATOM 694 C CB . ASP A 1 88 ? 3.136 12.303 -12.690 1.00 77.81 88 A 1 ATOM 695 C CG . ASP A 1 88 ? 1.928 11.358 -12.868 1.00 72.33 88 A 1 ATOM 696 O OD1 . ASP A 1 88 ? 2.059 10.138 -12.584 1.00 67.83 88 A 1 ATOM 697 O OD2 . ASP A 1 88 ? 0.874 11.842 -13.343 1.00 67.89 88 A 1 ATOM 698 N N . ASN A 1 89 ? 5.988 13.287 -10.817 1.00 83.16 89 A 1 ATOM 699 C CA . ASN A 1 89 ? 7.279 14.006 -10.758 1.00 81.64 89 A 1 ATOM 700 C C . ASN A 1 89 ? 8.317 13.266 -9.900 1.00 74.24 89 A 1 ATOM 701 O O . ASN A 1 89 ? 9.514 13.323 -10.263 1.00 68.08 89 A 1 ATOM 702 C CB . ASN A 1 89 ? 7.057 15.431 -10.214 1.00 76.96 89 A 1 ATOM 703 C CG . ASN A 1 89 ? 6.443 16.406 -11.201 1.00 71.52 89 A 1 ATOM 704 O OD1 . ASN A 1 89 ? 6.979 16.714 -12.249 1.00 66.80 89 A 1 ATOM 705 N ND2 . ASN A 1 89 ? 5.312 16.986 -10.879 1.00 64.64 89 A 1 ATOM 706 O OXT . ASN A 1 89 ? 7.911 12.688 -8.852 1.00 63.46 89 A 1 #