# 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_acriia24 # _entry.id acriia24 # 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 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "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 LYS 2 1 n LYS 3 1 n ALA 4 1 n GLN 5 1 n GLN 6 1 n LEU 7 1 n LEU 8 1 n LYS 9 1 n GLU 10 1 n ILE 11 1 n LYS 12 1 n THR 13 1 n ASN 14 1 n ASN 15 1 n VAL 16 1 n SER 17 1 n TYR 18 1 n ALA 19 1 n ILE 20 1 n MET 21 1 n ASP 22 1 n GLU 23 1 n ASP 24 1 n ASN 25 1 n GLU 26 1 n ILE 27 1 n TYR 28 1 n CYS 29 1 n ASN 30 1 n LYS 31 1 n GLU 32 1 n THR 33 1 n ASN 34 1 n ASN 35 1 n ILE 36 1 n MET 37 1 n ASP 38 1 n ILE 39 1 n TYR 40 1 n GLY 41 1 n TYR 42 1 n ASP 43 1 n ASN 44 1 n GLU 45 1 n ASN 46 1 n GLY 47 1 n HIS 48 1 n PHE 49 1 n TYR 50 1 n GLY 51 1 n VAL 52 1 n TYR 53 1 n GLY 54 1 n ASP 55 1 n VAL 56 1 n VAL 57 1 n ASP 58 1 n GLY 59 1 n GLN 60 1 n ILE 61 1 n ASP 62 1 n SER 63 1 n ARG 64 1 n TYR 65 1 n PHE 66 1 n SER 67 1 n ASP 68 1 n ASP 69 1 n ALA 70 1 n ILE 71 1 n LEU 72 1 n ASN 73 1 n ALA 74 1 n ILE 75 1 n ASP 76 1 n LYS 77 1 n LEU 78 1 n LEU 79 1 n PHE 80 1 n LEU 81 1 n GLY 82 1 n ASP 83 1 n PRO 84 1 n ILE 85 1 n LYS 86 1 n ARG 87 1 n THR 88 1 n ASP 89 1 n LEU 90 1 n PRO 91 1 n SER 92 1 n ASP 93 1 n ALA 94 1 n ASP 95 1 n PHE 96 1 n LYS 97 1 n ARG 98 1 n THR 99 1 n PHE 100 1 n PHE 101 1 n PHE 102 1 n GLU 103 1 n GLU 104 # _ma_data.content_type "model coordinates" _ma_data.id 1 _ma_data.name Model # _ma_model_list.data_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_group_name "AlphaFold-beta-20231127 (3.0.1 @ 2025-04-06 19:48:51)" _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 89.87 _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 72.69 1 1 A LYS 2 2 79.64 1 2 A LYS 3 2 88.32 1 3 A ALA 4 2 96.73 1 4 A GLN 5 2 90.03 1 5 A GLN 6 2 88.11 1 6 A LEU 7 2 97.11 1 7 A LEU 8 2 97.72 1 8 A LYS 9 2 88.94 1 9 A GLU 10 2 90.09 1 10 A ILE 11 2 98.08 1 11 A LYS 12 2 94.39 1 12 A THR 13 2 94.66 1 13 A ASN 14 2 94.09 1 14 A ASN 15 2 92.94 1 15 A VAL 16 2 96.48 1 16 A SER 17 2 94.41 1 17 A TYR 18 2 96.84 1 18 A ALA 19 2 96.78 1 19 A ILE 20 2 95.67 1 20 A MET 21 2 92.22 1 21 A ASP 22 2 93.33 1 22 A GLU 23 2 86.85 1 23 A ASP 24 2 91.65 1 24 A ASN 25 2 87.99 1 25 A GLU 26 2 90.52 1 26 A ILE 27 2 94.05 1 27 A TYR 28 2 94.94 1 28 A CYS 29 2 94.31 1 29 A ASN 30 2 91.42 1 30 A LYS 31 2 81.06 1 31 A GLU 32 2 76.83 1 32 A THR 33 2 86.15 1 33 A ASN 34 2 82.67 1 34 A ASN 35 2 86.79 1 35 A ILE 36 2 93.50 1 36 A MET 37 2 94.24 1 37 A ASP 38 2 88.00 1 38 A ILE 39 2 97.84 1 39 A TYR 40 2 96.51 1 40 A GLY 41 2 97.82 1 41 A TYR 42 2 87.56 1 42 A ASP 43 2 92.66 1 43 A ASN 44 2 88.93 1 44 A GLU 45 2 84.22 1 45 A ASN 46 2 87.44 1 46 A GLY 47 2 94.82 1 47 A HIS 48 2 95.84 1 48 A PHE 49 2 91.40 1 49 A TYR 50 2 97.68 1 50 A GLY 51 2 98.28 1 51 A VAL 52 2 96.66 1 52 A TYR 53 2 90.71 1 53 A GLY 54 2 95.35 1 54 A ASP 55 2 92.75 1 55 A VAL 56 2 90.42 1 56 A VAL 57 2 93.80 1 57 A ASP 58 2 89.55 1 58 A GLY 59 2 93.97 1 59 A GLN 60 2 88.73 1 60 A ILE 61 2 95.43 1 61 A ASP 62 2 95.56 1 62 A SER 63 2 97.56 1 63 A ARG 64 2 92.58 1 64 A TYR 65 2 92.64 1 65 A PHE 66 2 97.11 1 66 A SER 67 2 97.85 1 67 A ASP 68 2 97.10 1 68 A ASP 69 2 94.19 1 69 A ALA 70 2 98.06 1 70 A ILE 71 2 98.08 1 71 A LEU 72 2 95.91 1 72 A ASN 73 2 92.32 1 73 A ALA 74 2 97.60 1 74 A ILE 75 2 97.74 1 75 A ASP 76 2 93.92 1 76 A LYS 77 2 91.53 1 77 A LEU 78 2 94.30 1 78 A LEU 79 2 96.18 1 79 A PHE 80 2 84.49 1 80 A LEU 81 2 94.27 1 81 A GLY 82 2 96.44 1 82 A ASP 83 2 93.51 1 83 A PRO 84 2 97.02 1 84 A ILE 85 2 89.69 1 85 A LYS 86 2 91.24 1 86 A ARG 87 2 86.13 1 87 A THR 88 2 92.56 1 88 A ASP 89 2 92.05 1 89 A LEU 90 2 88.78 1 90 A PRO 91 2 83.58 1 91 A SER 92 2 79.09 1 92 A ASP 93 2 69.99 1 93 A ALA 94 2 72.43 1 94 A ASP 95 2 75.25 1 95 A PHE 96 2 84.00 1 96 A LYS 97 2 82.41 1 97 A ARG 98 2 82.77 1 98 A THR 99 2 91.17 1 99 A PHE 100 2 84.56 1 100 A PHE 101 2 79.90 1 101 A PHE 102 2 69.50 1 102 A GLU 103 2 66.88 1 103 A GLU 104 2 57.68 1 104 # _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 LYS . 2 A 2 A 3 1 n LYS . 3 A 3 A 4 1 n ALA . 4 A 4 A 5 1 n GLN . 5 A 5 A 6 1 n GLN . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LYS . 9 A 9 A 10 1 n GLU . 10 A 10 A 11 1 n ILE . 11 A 11 A 12 1 n LYS . 12 A 12 A 13 1 n THR . 13 A 13 A 14 1 n ASN . 14 A 14 A 15 1 n ASN . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n SER . 17 A 17 A 18 1 n TYR . 18 A 18 A 19 1 n ALA . 19 A 19 A 20 1 n ILE . 20 A 20 A 21 1 n MET . 21 A 21 A 22 1 n ASP . 22 A 22 A 23 1 n GLU . 23 A 23 A 24 1 n ASP . 24 A 24 A 25 1 n ASN . 25 A 25 A 26 1 n GLU . 26 A 26 A 27 1 n ILE . 27 A 27 A 28 1 n TYR . 28 A 28 A 29 1 n CYS . 29 A 29 A 30 1 n ASN . 30 A 30 A 31 1 n LYS . 31 A 31 A 32 1 n GLU . 32 A 32 A 33 1 n THR . 33 A 33 A 34 1 n ASN . 34 A 34 A 35 1 n ASN . 35 A 35 A 36 1 n ILE . 36 A 36 A 37 1 n MET . 37 A 37 A 38 1 n ASP . 38 A 38 A 39 1 n ILE . 39 A 39 A 40 1 n TYR . 40 A 40 A 41 1 n GLY . 41 A 41 A 42 1 n TYR . 42 A 42 A 43 1 n ASP . 43 A 43 A 44 1 n ASN . 44 A 44 A 45 1 n GLU . 45 A 45 A 46 1 n ASN . 46 A 46 A 47 1 n GLY . 47 A 47 A 48 1 n HIS . 48 A 48 A 49 1 n PHE . 49 A 49 A 50 1 n TYR . 50 A 50 A 51 1 n GLY . 51 A 51 A 52 1 n VAL . 52 A 52 A 53 1 n TYR . 53 A 53 A 54 1 n GLY . 54 A 54 A 55 1 n ASP . 55 A 55 A 56 1 n VAL . 56 A 56 A 57 1 n VAL . 57 A 57 A 58 1 n ASP . 58 A 58 A 59 1 n GLY . 59 A 59 A 60 1 n GLN . 60 A 60 A 61 1 n ILE . 61 A 61 A 62 1 n ASP . 62 A 62 A 63 1 n SER . 63 A 63 A 64 1 n ARG . 64 A 64 A 65 1 n TYR . 65 A 65 A 66 1 n PHE . 66 A 66 A 67 1 n SER . 67 A 67 A 68 1 n ASP . 68 A 68 A 69 1 n ASP . 69 A 69 A 70 1 n ALA . 70 A 70 A 71 1 n ILE . 71 A 71 A 72 1 n LEU . 72 A 72 A 73 1 n ASN . 73 A 73 A 74 1 n ALA . 74 A 74 A 75 1 n ILE . 75 A 75 A 76 1 n ASP . 76 A 76 A 77 1 n LYS . 77 A 77 A 78 1 n LEU . 78 A 78 A 79 1 n LEU . 79 A 79 A 80 1 n PHE . 80 A 80 A 81 1 n LEU . 81 A 81 A 82 1 n GLY . 82 A 82 A 83 1 n ASP . 83 A 83 A 84 1 n PRO . 84 A 84 A 85 1 n ILE . 85 A 85 A 86 1 n LYS . 86 A 86 A 87 1 n ARG . 87 A 87 A 88 1 n THR . 88 A 88 A 89 1 n ASP . 89 A 89 A 90 1 n LEU . 90 A 90 A 91 1 n PRO . 91 A 91 A 92 1 n SER . 92 A 92 A 93 1 n ASP . 93 A 93 A 94 1 n ALA . 94 A 94 A 95 1 n ASP . 95 A 95 A 96 1 n PHE . 96 A 96 A 97 1 n LYS . 97 A 97 A 98 1 n ARG . 98 A 98 A 99 1 n THR . 99 A 99 A 100 1 n PHE . 100 A 100 A 101 1 n PHE . 101 A 101 A 102 1 n PHE . 102 A 102 A 103 1 n GLU . 103 A 103 A 104 1 n GLU . 104 A 104 # _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 ? -9.563 -15.934 -8.662 1.00 71.99 1 A 1 ATOM 2 C CA . MET A 1 1 ? -9.106 -15.453 -7.337 1.00 82.54 1 A 1 ATOM 3 C C . MET A 1 1 ? -9.429 -13.976 -7.271 1.00 86.21 1 A 1 ATOM 4 O O . MET A 1 1 ? -9.261 -13.314 -8.293 1.00 82.93 1 A 1 ATOM 5 C CB . MET A 1 1 ? -7.606 -15.736 -7.172 1.00 74.72 1 A 1 ATOM 6 C CG . MET A 1 1 ? -7.072 -15.422 -5.769 1.00 66.72 1 A 1 ATOM 7 S SD . MET A 1 1 ? -5.469 -16.193 -5.413 1.00 63.09 1 A 1 ATOM 8 C CE . MET A 1 1 ? -4.388 -15.396 -6.619 1.00 53.28 1 A 1 ATOM 9 N N . LYS A 1 2 ? -9.944 -13.456 -6.146 1.00 88.44 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -10.228 -12.014 -6.018 1.00 91.03 2 A 1 ATOM 11 C C . LYS A 1 2 ? -8.911 -11.222 -5.986 1.00 94.36 2 A 1 ATOM 12 O O . LYS A 1 2 ? -7.915 -11.734 -5.474 1.00 94.52 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -11.066 -11.724 -4.766 1.00 84.60 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -12.498 -12.283 -4.818 1.00 74.12 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -13.264 -11.841 -3.558 1.00 71.92 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -14.722 -12.299 -3.549 1.00 62.56 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -15.431 -11.771 -2.348 1.00 55.20 2 A 1 ATOM 18 N N . LYS A 1 3 ? -8.910 -9.984 -6.476 1.00 92.85 3 A 1 ATOM 19 C CA . LYS A 1 3 ? -7.718 -9.108 -6.536 1.00 94.51 3 A 1 ATOM 20 C C . LYS A 1 3 ? -7.049 -8.938 -5.162 1.00 96.34 3 A 1 ATOM 21 O O . LYS A 1 3 ? -5.845 -9.137 -5.051 1.00 96.27 3 A 1 ATOM 22 C CB . LYS A 1 3 ? -8.146 -7.765 -7.164 1.00 92.60 3 A 1 ATOM 23 C CG . LYS A 1 3 ? -6.976 -6.863 -7.587 1.00 89.03 3 A 1 ATOM 24 C CD . LYS A 1 3 ? -7.522 -5.623 -8.333 1.00 84.97 3 A 1 ATOM 25 C CE . LYS A 1 3 ? -6.426 -4.714 -8.892 1.00 78.44 3 A 1 ATOM 26 N NZ . LYS A 1 3 ? -6.997 -3.563 -9.649 1.00 69.85 3 A 1 ATOM 27 N N . ALA A 1 4 ? -7.833 -8.726 -4.106 1.00 96.15 4 A 1 ATOM 28 C CA . ALA A 1 4 ? -7.341 -8.655 -2.725 1.00 96.62 4 A 1 ATOM 29 C C . ALA A 1 4 ? -6.586 -9.920 -2.272 1.00 97.26 4 A 1 ATOM 30 O O . ALA A 1 4 ? -5.517 -9.833 -1.676 1.00 97.47 4 A 1 ATOM 31 C CB . ALA A 1 4 ? -8.543 -8.404 -1.809 1.00 96.15 4 A 1 ATOM 32 N N . GLN A 1 5 ? -7.098 -11.114 -2.603 1.00 97.04 5 A 1 ATOM 33 C CA . GLN A 1 5 ? -6.432 -12.377 -2.254 1.00 97.05 5 A 1 ATOM 34 C C . GLN A 1 5 ? -5.117 -12.563 -3.017 1.00 97.33 5 A 1 ATOM 35 O O . GLN A 1 5 ? -4.174 -13.152 -2.490 1.00 97.21 5 A 1 ATOM 36 C CB . GLN A 1 5 ? -7.358 -13.565 -2.563 1.00 96.49 5 A 1 ATOM 37 C CG . GLN A 1 5 ? -8.607 -13.616 -1.679 1.00 89.88 5 A 1 ATOM 38 C CD . GLN A 1 5 ? -9.571 -14.722 -2.111 1.00 85.16 5 A 1 ATOM 39 O OE1 . GLN A 1 5 ? -9.765 -15.012 -3.286 1.00 77.50 5 A 1 ATOM 40 N NE2 . GLN A 1 5 ? -10.229 -15.374 -1.181 1.00 72.63 5 A 1 ATOM 41 N N . GLN A 1 6 ? -5.049 -12.084 -4.260 1.00 97.70 6 A 1 ATOM 42 C CA . GLN A 1 6 ? -3.820 -12.106 -5.046 1.00 97.29 6 A 1 ATOM 43 C C . GLN A 1 6 ? -2.764 -11.183 -4.428 1.00 97.62 6 A 1 ATOM 44 O O . GLN A 1 6 ? -1.638 -11.632 -4.213 1.00 97.42 6 A 1 ATOM 45 C CB . GLN A 1 6 ? -4.133 -11.735 -6.499 1.00 96.53 6 A 1 ATOM 46 C CG . GLN A 1 6 ? -2.875 -11.758 -7.383 1.00 83.18 6 A 1 ATOM 47 C CD . GLN A 1 6 ? -3.179 -11.473 -8.851 1.00 79.76 6 A 1 ATOM 48 O OE1 . GLN A 1 6 ? -4.307 -11.553 -9.328 1.00 74.53 6 A 1 ATOM 49 N NE2 . GLN A 1 6 ? -2.176 -11.159 -9.636 1.00 68.97 6 A 1 ATOM 50 N N . LEU A 1 7 ? -3.141 -9.951 -4.087 1.00 97.66 7 A 1 ATOM 51 C CA . LEU A 1 7 ? -2.255 -8.990 -3.427 1.00 97.83 7 A 1 ATOM 52 C C . LEU A 1 7 ? -1.771 -9.517 -2.077 1.00 98.16 7 A 1 ATOM 53 O O . LEU A 1 7 ? -0.571 -9.532 -1.842 1.00 98.07 7 A 1 ATOM 54 C CB . LEU A 1 7 ? -2.984 -7.651 -3.249 1.00 97.75 7 A 1 ATOM 55 C CG . LEU A 1 7 ? -3.190 -6.879 -4.562 1.00 96.64 7 A 1 ATOM 56 C CD1 . LEU A 1 7 ? -4.144 -5.721 -4.308 1.00 95.33 7 A 1 ATOM 57 C CD2 . LEU A 1 7 ? -1.883 -6.315 -5.115 1.00 95.46 7 A 1 ATOM 58 N N . LEU A 1 8 ? -2.668 -10.046 -1.238 1.00 97.88 8 A 1 ATOM 59 C CA . LEU A 1 8 ? -2.288 -10.651 0.042 1.00 98.01 8 A 1 ATOM 60 C C . LEU A 1 8 ? -1.257 -11.764 -0.159 1.00 98.02 8 A 1 ATOM 61 O O . LEU A 1 8 ? -0.240 -11.796 0.523 1.00 98.02 8 A 1 ATOM 62 C CB . LEU A 1 8 ? -3.541 -11.170 0.772 1.00 98.06 8 A 1 ATOM 63 C CG . LEU A 1 8 ? -3.232 -11.850 2.123 1.00 97.65 8 A 1 ATOM 64 C CD1 . LEU A 1 8 ? -2.555 -10.908 3.119 1.00 97.07 8 A 1 ATOM 65 C CD2 . LEU A 1 8 ? -4.519 -12.368 2.762 1.00 97.07 8 A 1 ATOM 66 N N . LYS A 1 9 ? -1.484 -12.668 -1.119 1.00 97.99 9 A 1 ATOM 67 C CA . LYS A 1 9 ? -0.524 -13.736 -1.427 1.00 97.64 9 A 1 ATOM 68 C C . LYS A 1 9 ? 0.840 -13.180 -1.842 1.00 97.69 9 A 1 ATOM 69 O O . LYS A 1 9 ? 1.858 -13.738 -1.446 1.00 97.38 9 A 1 ATOM 70 C CB . LYS A 1 9 ? -1.112 -14.655 -2.509 1.00 97.00 9 A 1 ATOM 71 C CG . LYS A 1 9 ? -0.188 -15.847 -2.787 1.00 85.14 9 A 1 ATOM 72 C CD . LYS A 1 9 ? -0.754 -16.749 -3.890 1.00 84.79 9 A 1 ATOM 73 C CE . LYS A 1 9 ? 0.266 -17.855 -4.158 1.00 74.79 9 A 1 ATOM 74 N NZ . LYS A 1 9 ? -0.135 -18.713 -5.298 1.00 68.07 9 A 1 ATOM 75 N N . GLU A 1 10 ? 0.853 -12.121 -2.634 1.00 97.72 10 A 1 ATOM 76 C CA . GLU A 1 10 ? 2.087 -11.522 -3.141 1.00 97.49 10 A 1 ATOM 77 C C . GLU A 1 10 ? 2.883 -10.817 -2.037 1.00 97.80 10 A 1 ATOM 78 O O . GLU A 1 10 ? 4.065 -11.114 -1.862 1.00 97.25 10 A 1 ATOM 79 C CB . GLU A 1 10 ? 1.743 -10.594 -4.305 1.00 96.71 10 A 1 ATOM 80 C CG . GLU A 1 10 ? 3.019 -10.132 -5.025 1.00 86.67 10 A 1 ATOM 81 C CD . GLU A 1 10 ? 2.724 -9.389 -6.332 1.00 84.09 10 A 1 ATOM 82 O OE1 . GLU A 1 10 ? 3.702 -8.905 -6.942 1.00 75.93 10 A 1 ATOM 83 O OE2 . GLU A 1 10 ? 1.546 -9.293 -6.744 1.00 77.15 10 A 1 ATOM 84 N N . ILE A 1 11 ? 2.230 -9.970 -1.239 1.00 98.19 11 A 1 ATOM 85 C CA . ILE A 1 11 ? 2.898 -9.244 -0.149 1.00 98.23 11 A 1 ATOM 86 C C . ILE A 1 11 ? 3.363 -10.170 0.981 1.00 98.22 11 A 1 ATOM 87 O O . ILE A 1 11 ? 4.284 -9.822 1.700 1.00 98.03 11 A 1 ATOM 88 C CB . ILE A 1 11 ? 2.029 -8.089 0.405 1.00 98.29 11 A 1 ATOM 89 C CG1 . ILE A 1 11 ? 0.779 -8.610 1.146 1.00 98.05 11 A 1 ATOM 90 C CG2 . ILE A 1 11 ? 1.695 -7.084 -0.716 1.00 97.80 11 A 1 ATOM 91 C CD1 . ILE A 1 11 ? -0.077 -7.529 1.804 1.00 97.83 11 A 1 ATOM 92 N N . LYS A 1 12 ? 2.769 -11.369 1.132 1.00 97.71 12 A 1 ATOM 93 C CA . LYS A 1 12 ? 3.216 -12.363 2.124 1.00 97.39 12 A 1 ATOM 94 C C . LYS A 1 12 ? 4.597 -12.948 1.847 1.00 97.36 12 A 1 ATOM 95 O O . LYS A 1 12 ? 5.191 -13.517 2.761 1.00 96.54 12 A 1 ATOM 96 C CB . LYS A 1 12 ? 2.196 -13.504 2.222 1.00 96.68 12 A 1 ATOM 97 C CG . LYS A 1 12 ? 0.984 -13.080 3.057 1.00 94.48 12 A 1 ATOM 98 C CD . LYS A 1 12 ? -0.040 -14.201 3.223 1.00 93.71 12 A 1 ATOM 99 C CE . LYS A 1 12 ? 0.475 -15.190 4.273 1.00 89.81 12 A 1 ATOM 100 N NZ . LYS A 1 12 ? -0.630 -15.972 4.846 1.00 85.83 12 A 1 ATOM 101 N N . THR A 1 13 ? 5.059 -12.891 0.605 1.00 97.00 13 A 1 ATOM 102 C CA . THR A 1 13 ? 6.267 -13.612 0.173 1.00 96.46 13 A 1 ATOM 103 C C . THR A 1 13 ? 7.274 -12.740 -0.564 1.00 96.75 13 A 1 ATOM 104 O O . THR A 1 13 ? 8.345 -13.232 -0.908 1.00 95.55 13 A 1 ATOM 105 C CB . THR A 1 13 ? 5.902 -14.821 -0.702 1.00 95.10 13 A 1 ATOM 106 O OG1 . THR A 1 13 ? 5.141 -14.438 -1.828 1.00 92.09 13 A 1 ATOM 107 C CG2 . THR A 1 13 ? 5.071 -15.857 0.058 1.00 89.70 13 A 1 ATOM 108 N N . ASN A 1 14 ? 6.942 -11.474 -0.821 1.00 96.92 14 A 1 ATOM 109 C CA . ASN A 1 14 ? 7.789 -10.567 -1.588 1.00 96.90 14 A 1 ATOM 110 C C . ASN A 1 14 ? 7.934 -9.223 -0.877 1.00 97.35 14 A 1 ATOM 111 O O . ASN A 1 14 ? 6.985 -8.713 -0.282 1.00 96.85 14 A 1 ATOM 112 C CB . ASN A 1 14 ? 7.222 -10.379 -3.004 1.00 96.38 14 A 1 ATOM 113 C CG . ASN A 1 14 ? 7.048 -11.686 -3.751 1.00 94.58 14 A 1 ATOM 114 O OD1 . ASN A 1 14 ? 7.971 -12.244 -4.318 1.00 86.97 14 A 1 ATOM 115 N ND2 . ASN A 1 14 ? 5.854 -12.228 -3.770 1.00 86.79 14 A 1 ATOM 116 N N . ASN A 1 15 ? 9.119 -8.627 -1.026 1.00 97.39 15 A 1 ATOM 117 C CA . ASN A 1 15 ? 9.360 -7.237 -0.669 1.00 97.20 15 A 1 ATOM 118 C C . ASN A 1 15 ? 8.819 -6.345 -1.798 1.00 97.28 15 A 1 ATOM 119 O O . ASN A 1 15 ? 9.480 -6.135 -2.817 1.00 95.85 15 A 1 ATOM 120 C CB . ASN A 1 15 ? 10.861 -7.060 -0.398 1.00 95.99 15 A 1 ATOM 121 C CG . ASN A 1 15 ? 11.184 -5.716 0.226 1.00 91.53 15 A 1 ATOM 122 O OD1 . ASN A 1 15 ? 10.355 -4.845 0.395 1.00 84.37 15 A 1 ATOM 123 N ND2 . ASN A 1 15 ? 12.419 -5.519 0.622 1.00 83.87 15 A 1 ATOM 124 N N . VAL A 1 16 ? 7.572 -5.919 -1.663 1.00 97.22 16 A 1 ATOM 125 C CA . VAL A 1 16 ? 6.833 -5.182 -2.697 1.00 97.48 16 A 1 ATOM 126 C C . VAL A 1 16 ? 5.808 -4.261 -2.048 1.00 97.71 16 A 1 ATOM 127 O O . VAL A 1 16 ? 5.225 -4.606 -1.020 1.00 97.47 16 A 1 ATOM 128 C CB . VAL A 1 16 ? 6.173 -6.155 -3.697 1.00 97.14 16 A 1 ATOM 129 C CG1 . VAL A 1 16 ? 5.083 -7.042 -3.077 1.00 94.19 16 A 1 ATOM 130 C CG2 . VAL A 1 16 ? 5.583 -5.427 -4.912 1.00 94.17 16 A 1 ATOM 131 N N . SER A 1 17 ? 5.563 -3.107 -2.665 1.00 97.58 17 A 1 ATOM 132 C CA . SER A 1 17 ? 4.543 -2.158 -2.222 1.00 97.22 17 A 1 ATOM 133 C C . SER A 1 17 ? 3.679 -1.688 -3.384 1.00 97.42 17 A 1 ATOM 134 O O . SER A 1 17 ? 4.166 -1.492 -4.501 1.00 96.70 17 A 1 ATOM 135 C CB . SER A 1 17 ? 5.172 -0.956 -1.515 1.00 95.45 17 A 1 ATOM 136 O OG . SER A 1 17 ? 5.931 -1.365 -0.399 1.00 82.06 17 A 1 ATOM 137 N N . TYR A 1 18 ? 2.398 -1.498 -3.088 1.00 97.63 18 A 1 ATOM 138 C CA . TYR A 1 18 ? 1.379 -1.014 -4.000 1.00 97.72 18 A 1 ATOM 139 C C . TYR A 1 18 ? 0.751 0.254 -3.438 1.00 97.67 18 A 1 ATOM 140 O O . TYR A 1 18 ? 0.210 0.228 -2.332 1.00 97.28 18 A 1 ATOM 141 C CB . TYR A 1 18 ? 0.311 -2.089 -4.202 1.00 97.69 18 A 1 ATOM 142 C CG . TYR A 1 18 ? 0.818 -3.320 -4.918 1.00 97.60 18 A 1 ATOM 143 C CD1 . TYR A 1 18 ? 0.759 -3.356 -6.317 1.00 96.69 18 A 1 ATOM 144 C CD2 . TYR A 1 18 ? 1.362 -4.413 -4.201 1.00 96.86 18 A 1 ATOM 145 C CE1 . TYR A 1 18 ? 1.237 -4.473 -7.014 1.00 95.96 18 A 1 ATOM 146 C CE2 . TYR A 1 18 ? 1.847 -5.535 -4.901 1.00 96.10 18 A 1 ATOM 147 C CZ . TYR A 1 18 ? 1.781 -5.558 -6.314 1.00 96.21 18 A 1 ATOM 148 O OH . TYR A 1 18 ? 2.243 -6.617 -7.025 1.00 94.72 18 A 1 ATOM 149 N N . ALA A 1 19 ? 0.790 1.323 -4.216 1.00 97.00 19 A 1 ATOM 150 C CA . ALA A 1 19 ? -0.049 2.493 -4.012 1.00 96.85 19 A 1 ATOM 151 C C . ALA A 1 19 ? -1.443 2.237 -4.602 1.00 97.10 19 A 1 ATOM 152 O O . ALA A 1 19 ? -1.624 1.310 -5.397 1.00 96.77 19 A 1 ATOM 153 C CB . ALA A 1 19 ? 0.635 3.696 -4.669 1.00 96.17 19 A 1 ATOM 154 N N . ILE A 1 20 ? -2.416 3.071 -4.240 1.00 96.66 20 A 1 ATOM 155 C CA . ILE A 1 20 ? -3.760 3.053 -4.826 1.00 96.55 20 A 1 ATOM 156 C C . ILE A 1 20 ? -3.927 4.286 -5.704 1.00 96.09 20 A 1 ATOM 157 O O . ILE A 1 20 ? -3.653 5.399 -5.267 1.00 95.68 20 A 1 ATOM 158 C CB . ILE A 1 20 ? -4.838 2.958 -3.735 1.00 96.63 20 A 1 ATOM 159 C CG1 . ILE A 1 20 ? -4.611 1.758 -2.795 1.00 95.38 20 A 1 ATOM 160 C CG2 . ILE A 1 20 ? -6.241 2.888 -4.358 1.00 95.69 20 A 1 ATOM 161 C CD1 . ILE A 1 20 ? -4.579 0.379 -3.473 1.00 92.71 20 A 1 ATOM 162 N N . MET A 1 21 ? -4.360 4.059 -6.932 1.00 95.84 21 A 1 ATOM 163 C CA . MET A 1 21 ? -4.627 5.084 -7.930 1.00 95.66 21 A 1 ATOM 164 C C . MET A 1 21 ? -6.123 5.135 -8.217 1.00 95.74 21 A 1 ATOM 165 O O . MET A 1 21 ? -6.739 4.091 -8.454 1.00 95.37 21 A 1 ATOM 166 C CB . MET A 1 21 ? -3.803 4.766 -9.183 1.00 94.69 21 A 1 ATOM 167 C CG . MET A 1 21 ? -3.866 5.871 -10.235 1.00 91.78 21 A 1 ATOM 168 S SD . MET A 1 21 ? -2.756 5.587 -11.650 1.00 89.05 21 A 1 ATOM 169 C CE . MET A 1 21 ? -3.550 4.141 -12.396 1.00 79.59 21 A 1 ATOM 170 N N . ASP A 1 22 ? -6.710 6.320 -8.188 1.00 95.51 22 A 1 ATOM 171 C CA . ASP A 1 22 ? -8.116 6.526 -8.531 1.00 95.27 22 A 1 ATOM 172 C C . ASP A 1 22 ? -8.352 6.571 -10.054 1.00 95.27 22 A 1 ATOM 173 O O . ASP A 1 22 ? -7.439 6.387 -10.866 1.00 94.64 22 A 1 ATOM 174 C CB . ASP A 1 22 ? -8.669 7.752 -7.786 1.00 94.29 22 A 1 ATOM 175 C CG . ASP A 1 22 ? -8.170 9.112 -8.288 1.00 93.19 22 A 1 ATOM 176 O OD1 . ASP A 1 22 ? -7.529 9.167 -9.361 1.00 89.66 22 A 1 ATOM 177 O OD2 . ASP A 1 22 ? -8.457 10.092 -7.573 1.00 88.79 22 A 1 ATOM 178 N N . GLU A 1 23 ? -9.612 6.797 -10.443 1.00 94.93 23 A 1 ATOM 179 C CA . GLU A 1 23 ? -10.022 6.879 -11.851 1.00 94.45 23 A 1 ATOM 180 C C . GLU A 1 23 ? -9.439 8.088 -12.609 1.00 94.57 23 A 1 ATOM 181 O O . GLU A 1 23 ? -9.304 8.034 -13.832 1.00 92.95 23 A 1 ATOM 182 C CB . GLU A 1 23 ? -11.557 6.821 -11.939 1.00 93.31 23 A 1 ATOM 183 C CG . GLU A 1 23 ? -12.300 8.000 -11.277 1.00 84.19 23 A 1 ATOM 184 C CD . GLU A 1 23 ? -13.842 7.838 -11.298 1.00 80.28 23 A 1 ATOM 185 O OE1 . GLU A 1 23 ? -14.540 8.716 -10.748 1.00 73.04 23 A 1 ATOM 186 O OE2 . GLU A 1 23 ? -14.339 6.824 -11.861 1.00 73.93 23 A 1 ATOM 187 N N . ASP A 1 24 ? -9.025 9.131 -11.892 1.00 94.32 24 A 1 ATOM 188 C CA . ASP A 1 24 ? -8.399 10.338 -12.444 1.00 93.99 24 A 1 ATOM 189 C C . ASP A 1 24 ? -6.857 10.243 -12.506 1.00 93.87 24 A 1 ATOM 190 O O . ASP A 1 24 ? -6.163 11.186 -12.909 1.00 92.27 24 A 1 ATOM 191 C CB . ASP A 1 24 ? -8.895 11.568 -11.664 1.00 93.52 24 A 1 ATOM 192 C CG . ASP A 1 24 ? -10.362 11.930 -11.953 1.00 91.09 24 A 1 ATOM 193 O OD1 . ASP A 1 24 ? -10.752 11.872 -13.149 1.00 87.03 24 A 1 ATOM 194 O OD2 . ASP A 1 24 ? -11.058 12.377 -11.018 1.00 87.09 24 A 1 ATOM 195 N N . ASN A 1 25 ? -6.311 9.068 -12.190 1.00 92.77 25 A 1 ATOM 196 C CA . ASN A 1 25 ? -4.879 8.761 -12.078 1.00 92.10 25 A 1 ATOM 197 C C . ASN A 1 25 ? -4.175 9.534 -10.949 1.00 92.56 25 A 1 ATOM 198 O O . ASN A 1 25 ? -2.981 9.842 -11.048 1.00 91.30 25 A 1 ATOM 199 C CB . ASN A 1 25 ? -4.148 8.865 -13.432 1.00 90.87 25 A 1 ATOM 200 C CG . ASN A 1 25 ? -4.842 8.144 -14.566 1.00 86.76 25 A 1 ATOM 201 O OD1 . ASN A 1 25 ? -4.658 6.962 -14.804 1.00 79.98 25 A 1 ATOM 202 N ND2 . ASN A 1 25 ? -5.645 8.841 -15.333 1.00 77.55 25 A 1 ATOM 203 N N . GLU A 1 26 ? -4.897 9.844 -9.876 1.00 93.68 26 A 1 ATOM 204 C CA . GLU A 1 26 ? -4.322 10.427 -8.665 1.00 94.22 26 A 1 ATOM 205 C C . GLU A 1 26 ? -3.995 9.338 -7.636 1.00 94.71 26 A 1 ATOM 206 O O . GLU A 1 26 ? -4.690 8.335 -7.508 1.00 94.14 26 A 1 ATOM 207 C CB . GLU A 1 26 ? -5.198 11.544 -8.071 1.00 93.76 26 A 1 ATOM 208 C CG . GLU A 1 26 ? -5.793 12.517 -9.110 1.00 91.77 26 A 1 ATOM 209 C CD . GLU A 1 26 ? -6.165 13.885 -8.528 1.00 89.12 26 A 1 ATOM 210 O OE1 . GLU A 1 26 ? -6.038 14.885 -9.290 1.00 82.26 26 A 1 ATOM 211 O OE2 . GLU A 1 26 ? -6.432 13.996 -7.312 1.00 81.01 26 A 1 ATOM 212 N N . ILE A 1 27 ? -2.905 9.527 -6.899 1.00 94.60 27 A 1 ATOM 213 C CA . ILE A 1 27 ? -2.422 8.565 -5.905 1.00 94.89 27 A 1 ATOM 214 C C . ILE A 1 27 ? -2.956 8.935 -4.523 1.00 95.01 27 A 1 ATOM 215 O O . ILE A 1 27 ? -2.732 10.045 -4.041 1.00 94.67 27 A 1 ATOM 216 C CB . ILE A 1 27 ? -0.883 8.480 -5.931 1.00 94.83 27 A 1 ATOM 217 C CG1 . ILE A 1 27 ? -0.334 8.106 -7.327 1.00 93.65 27 A 1 ATOM 218 C CG2 . ILE A 1 27 ? -0.357 7.494 -4.871 1.00 94.02 27 A 1 ATOM 219 C CD1 . ILE A 1 27 ? -0.855 6.783 -7.909 1.00 90.70 27 A 1 ATOM 220 N N . TYR A 1 28 ? -3.613 7.970 -3.856 1.00 95.41 28 A 1 ATOM 221 C CA . TYR A 1 28 ? -4.101 8.148 -2.492 1.00 95.71 28 A 1 ATOM 222 C C . TYR A 1 28 ? -2.951 8.309 -1.502 1.00 95.60 28 A 1 ATOM 223 O O . TYR A 1 28 ? -2.116 7.421 -1.315 1.00 95.27 28 A 1 ATOM 224 C CB . TYR A 1 28 ? -5.032 7.005 -2.083 1.00 95.88 28 A 1 ATOM 225 C CG . TYR A 1 28 ? -6.441 7.185 -2.596 1.00 95.71 28 A 1 ATOM 226 C CD1 . TYR A 1 28 ? -7.352 7.988 -1.883 1.00 94.70 28 A 1 ATOM 227 C CD2 . TYR A 1 28 ? -6.835 6.579 -3.804 1.00 94.85 28 A 1 ATOM 228 C CE1 . TYR A 1 28 ? -8.656 8.185 -2.372 1.00 94.15 28 A 1 ATOM 229 C CE2 . TYR A 1 28 ? -8.133 6.779 -4.300 1.00 94.19 28 A 1 ATOM 230 C CZ . TYR A 1 28 ? -9.048 7.583 -3.586 1.00 94.50 28 A 1 ATOM 231 O OH . TYR A 1 28 ? -10.300 7.779 -4.073 1.00 93.32 28 A 1 ATOM 232 N N . CYS A 1 29 ? -2.943 9.447 -0.828 1.00 95.06 29 A 1 ATOM 233 C CA . CYS A 1 29 ? -2.034 9.783 0.261 1.00 94.82 29 A 1 ATOM 234 C C . CYS A 1 29 ? -2.815 10.000 1.563 1.00 94.80 29 A 1 ATOM 235 O O . CYS A 1 29 ? -4.010 10.296 1.544 1.00 94.16 29 A 1 ATOM 236 C CB . CYS A 1 29 ? -1.221 11.022 -0.123 1.00 94.30 29 A 1 ATOM 237 S SG . CYS A 1 29 ? -0.155 10.681 -1.554 1.00 92.73 29 A 1 ATOM 238 N N . ASN A 1 30 ? -2.137 9.890 2.706 1.00 94.41 30 A 1 ATOM 239 C CA . ASN A 1 30 ? -2.713 10.328 3.973 1.00 94.16 30 A 1 ATOM 240 C C . ASN A 1 30 ? -3.021 11.822 3.909 1.00 93.43 30 A 1 ATOM 241 O O . ASN A 1 30 ? -2.272 12.600 3.308 1.00 91.66 30 A 1 ATOM 242 C CB . ASN A 1 30 ? -1.764 10.022 5.136 1.00 93.62 30 A 1 ATOM 243 C CG . ASN A 1 30 ? -1.642 8.551 5.455 1.00 92.05 30 A 1 ATOM 244 O OD1 . ASN A 1 30 ? -2.202 7.673 4.828 1.00 86.27 30 A 1 ATOM 245 N ND2 . ASN A 1 30 ? -0.885 8.223 6.474 1.00 85.75 30 A 1 ATOM 246 N N . LYS A 1 31 ? -4.131 12.203 4.545 1.00 92.37 31 A 1 ATOM 247 C CA . LYS A 1 31 ? -4.729 13.530 4.442 1.00 90.43 31 A 1 ATOM 248 C C . LYS A 1 31 ? -3.690 14.648 4.555 1.00 89.58 31 A 1 ATOM 249 O O . LYS A 1 31 ? -2.989 14.765 5.554 1.00 86.97 31 A 1 ATOM 250 C CB . LYS A 1 31 ? -5.815 13.657 5.510 1.00 88.09 31 A 1 ATOM 251 C CG . LYS A 1 31 ? -6.569 14.979 5.373 1.00 78.62 31 A 1 ATOM 252 C CD . LYS A 1 31 ? -7.689 15.047 6.405 1.00 75.70 31 A 1 ATOM 253 C CE . LYS A 1 31 ? -8.368 16.408 6.289 1.00 67.61 31 A 1 ATOM 254 N NZ . LYS A 1 31 ? -9.478 16.522 7.264 1.00 60.21 31 A 1 ATOM 255 N N . GLU A 1 32 ? -3.657 15.492 3.526 1.00 84.68 32 A 1 ATOM 256 C CA . GLU A 1 32 ? -2.787 16.683 3.471 1.00 83.01 32 A 1 ATOM 257 C C . GLU A 1 32 ? -1.278 16.390 3.631 1.00 83.59 32 A 1 ATOM 258 O O . GLU A 1 32 ? -0.495 17.274 3.979 1.00 79.98 32 A 1 ATOM 259 C CB . GLU A 1 32 ? -3.306 17.760 4.445 1.00 80.90 32 A 1 ATOM 260 C CG . GLU A 1 32 ? -4.730 18.237 4.096 1.00 75.98 32 A 1 ATOM 261 C CD . GLU A 1 32 ? -5.367 19.112 5.189 1.00 70.76 32 A 1 ATOM 262 O OE1 . GLU A 1 32 ? -6.623 19.178 5.217 1.00 66.23 32 A 1 ATOM 263 O OE2 . GLU A 1 32 ? -4.631 19.694 6.017 1.00 66.33 32 A 1 ATOM 264 N N . THR A 1 33 ? -0.856 15.155 3.341 1.00 88.97 33 A 1 ATOM 265 C CA . THR A 1 33 ? 0.560 14.755 3.394 1.00 87.46 33 A 1 ATOM 266 C C . THR A 1 33 ? 1.040 14.166 2.064 1.00 86.61 33 A 1 ATOM 267 O O . THR A 1 33 ? 0.273 13.950 1.128 1.00 84.41 33 A 1 ATOM 268 C CB . THR A 1 33 ? 0.843 13.773 4.541 1.00 86.86 33 A 1 ATOM 269 O OG1 . THR A 1 33 ? 0.506 12.460 4.169 1.00 85.27 33 A 1 ATOM 270 C CG2 . THR A 1 33 ? 0.172 14.097 5.870 1.00 83.48 33 A 1 ATOM 271 N N . ASN A 1 34 ? 2.341 13.860 1.999 1.00 88.94 34 A 1 ATOM 272 C CA . ASN A 1 34 ? 2.939 13.100 0.896 1.00 88.09 34 A 1 ATOM 273 C C . ASN A 1 34 ? 3.071 11.601 1.222 1.00 89.88 34 A 1 ATOM 274 O O . ASN A 1 34 ? 3.682 10.858 0.457 1.00 87.91 34 A 1 ATOM 275 C CB . ASN A 1 34 ? 4.297 13.726 0.536 1.00 85.33 34 A 1 ATOM 276 C CG . ASN A 1 34 ? 4.205 15.162 0.050 1.00 78.64 34 A 1 ATOM 277 O OD1 . ASN A 1 34 ? 3.219 15.637 -0.492 1.00 71.77 34 A 1 ATOM 278 N ND2 . ASN A 1 34 ? 5.260 15.921 0.223 1.00 70.77 34 A 1 ATOM 279 N N . ASN A 1 35 ? 2.544 11.143 2.365 1.00 90.91 35 A 1 ATOM 280 C CA . ASN A 1 35 ? 2.635 9.742 2.754 1.00 91.87 35 A 1 ATOM 281 C C . ASN A 1 35 ? 1.616 8.932 1.954 1.00 93.27 35 A 1 ATOM 282 O O . ASN A 1 35 ? 0.419 9.012 2.214 1.00 92.51 35 A 1 ATOM 283 C CB . ASN A 1 35 ? 2.411 9.595 4.260 1.00 90.45 35 A 1 ATOM 284 C CG . ASN A 1 35 ? 3.476 10.276 5.093 1.00 83.42 35 A 1 ATOM 285 O OD1 . ASN A 1 35 ? 4.636 10.368 4.736 1.00 76.61 35 A 1 ATOM 286 N ND2 . ASN A 1 35 ? 3.111 10.772 6.251 1.00 75.27 35 A 1 ATOM 287 N N . ILE A 1 36 ? 2.091 8.148 1.007 1.00 93.48 36 A 1 ATOM 288 C CA . ILE A 1 36 ? 1.259 7.286 0.161 1.00 94.38 36 A 1 ATOM 289 C C . ILE A 1 36 ? 0.627 6.185 1.023 1.00 94.86 36 A 1 ATOM 290 O O . ILE A 1 36 ? 1.306 5.566 1.845 1.00 94.24 36 A 1 ATOM 291 C CB . ILE A 1 36 ? 2.117 6.727 -0.998 1.00 94.00 36 A 1 ATOM 292 C CG1 . ILE A 1 36 ? 2.646 7.875 -1.897 1.00 93.12 36 A 1 ATOM 293 C CG2 . ILE A 1 36 ? 1.322 5.718 -1.837 1.00 92.98 36 A 1 ATOM 294 C CD1 . ILE A 1 36 ? 3.670 7.432 -2.952 1.00 90.94 36 A 1 ATOM 295 N N . MET A 1 37 ? -0.671 5.924 0.823 1.00 95.80 37 A 1 ATOM 296 C CA . MET A 1 37 ? -1.336 4.749 1.381 1.00 96.18 37 A 1 ATOM 297 C C . MET A 1 37 ? -0.843 3.496 0.654 1.00 96.25 37 A 1 ATOM 298 O O . MET A 1 37 ? -0.829 3.453 -0.576 1.00 95.70 37 A 1 ATOM 299 C CB . MET A 1 37 ? -2.857 4.854 1.251 1.00 95.81 37 A 1 ATOM 300 C CG . MET A 1 37 ? -3.454 6.071 1.952 1.00 94.08 37 A 1 ATOM 301 S SD . MET A 1 37 ? -5.259 5.964 2.059 1.00 92.78 37 A 1 ATOM 302 C CE . MET A 1 37 ? -5.631 7.657 2.563 1.00 87.32 37 A 1 ATOM 303 N N . ASP A 1 38 ? -0.461 2.460 1.410 1.00 95.45 38 A 1 ATOM 304 C CA . ASP A 1 38 ? 0.214 1.289 0.847 1.00 95.29 38 A 1 ATOM 305 C C . ASP A 1 38 ? -0.442 -0.042 1.228 1.00 96.92 38 A 1 ATOM 306 O O . ASP A 1 38 ? -0.843 -0.267 2.372 1.00 96.10 38 A 1 ATOM 307 C CB . ASP A 1 38 ? 1.680 1.256 1.303 1.00 89.45 38 A 1 ATOM 308 C CG . ASP A 1 38 ? 2.621 2.135 0.491 1.00 82.02 38 A 1 ATOM 309 O OD1 . ASP A 1 38 ? 2.521 2.167 -0.750 1.00 73.37 38 A 1 ATOM 310 O OD2 . ASP A 1 38 ? 3.576 2.684 1.086 1.00 75.40 38 A 1 ATOM 311 N N . ILE A 1 39 ? -0.401 -0.972 0.283 1.00 97.85 39 A 1 ATOM 312 C CA . ILE A 1 39 ? -0.432 -2.414 0.539 1.00 98.19 39 A 1 ATOM 313 C C . ILE A 1 39 ? 1.010 -2.912 0.368 1.00 98.15 39 A 1 ATOM 314 O O . ILE A 1 39 ? 1.577 -2.763 -0.711 1.00 97.92 39 A 1 ATOM 315 C CB . ILE A 1 39 ? -1.389 -3.126 -0.440 1.00 98.28 39 A 1 ATOM 316 C CG1 . ILE A 1 39 ? -2.825 -2.556 -0.373 1.00 97.76 39 A 1 ATOM 317 C CG2 . ILE A 1 39 ? -1.394 -4.636 -0.148 1.00 97.62 39 A 1 ATOM 318 C CD1 . ILE A 1 39 ? -3.699 -2.971 -1.566 1.00 96.99 39 A 1 ATOM 319 N N . TYR A 1 40 ? 1.614 -3.489 1.398 1.00 98.25 40 A 1 ATOM 320 C CA . TYR A 1 40 ? 3.050 -3.769 1.375 1.00 98.29 40 A 1 ATOM 321 C C . TYR A 1 40 ? 3.431 -5.139 1.941 1.00 98.47 40 A 1 ATOM 322 O O . TYR A 1 40 ? 2.792 -5.668 2.848 1.00 98.30 40 A 1 ATOM 323 C CB . TYR A 1 40 ? 3.810 -2.641 2.083 1.00 97.84 40 A 1 ATOM 324 C CG . TYR A 1 40 ? 3.522 -2.532 3.568 1.00 97.50 40 A 1 ATOM 325 C CD1 . TYR A 1 40 ? 2.500 -1.680 4.033 1.00 96.19 40 A 1 ATOM 326 C CD2 . TYR A 1 40 ? 4.252 -3.310 4.490 1.00 96.34 40 A 1 ATOM 327 C CE1 . TYR A 1 40 ? 2.193 -1.623 5.400 1.00 94.55 40 A 1 ATOM 328 C CE2 . TYR A 1 40 ? 3.941 -3.263 5.861 1.00 94.83 40 A 1 ATOM 329 C CZ . TYR A 1 40 ? 2.905 -2.426 6.313 1.00 94.86 40 A 1 ATOM 330 O OH . TYR A 1 40 ? 2.577 -2.413 7.627 1.00 92.67 40 A 1 ATOM 331 N N . GLY A 1 41 ? 4.531 -5.683 1.428 1.00 98.09 41 A 1 ATOM 332 C CA . GLY A 1 41 ? 5.372 -6.693 2.057 1.00 98.09 41 A 1 ATOM 333 C C . GLY A 1 41 ? 6.779 -6.125 2.211 1.00 97.90 41 A 1 ATOM 334 O O . GLY A 1 41 ? 7.296 -5.512 1.278 1.00 97.19 41 A 1 ATOM 335 N N . TYR A 1 42 ? 7.364 -6.277 3.388 1.00 97.06 42 A 1 ATOM 336 C CA . TYR A 1 42 ? 8.637 -5.651 3.729 1.00 96.08 42 A 1 ATOM 337 C C . TYR A 1 42 ? 9.560 -6.608 4.480 1.00 96.09 42 A 1 ATOM 338 O O . TYR A 1 42 ? 9.168 -7.211 5.482 1.00 94.77 42 A 1 ATOM 339 C CB . TYR A 1 42 ? 8.366 -4.382 4.547 1.00 94.27 42 A 1 ATOM 340 C CG . TYR A 1 42 ? 9.624 -3.618 4.910 1.00 90.32 42 A 1 ATOM 341 C CD1 . TYR A 1 42 ? 10.108 -3.637 6.233 1.00 84.83 42 A 1 ATOM 342 C CD2 . TYR A 1 42 ? 10.328 -2.915 3.916 1.00 84.70 42 A 1 ATOM 343 C CE1 . TYR A 1 42 ? 11.286 -2.944 6.564 1.00 78.72 42 A 1 ATOM 344 C CE2 . TYR A 1 42 ? 11.511 -2.227 4.241 1.00 79.98 42 A 1 ATOM 345 C CZ . TYR A 1 42 ? 11.991 -2.241 5.567 1.00 77.55 42 A 1 ATOM 346 O OH . TYR A 1 42 ? 13.138 -1.580 5.885 1.00 76.31 42 A 1 ATOM 347 N N . ASP A 1 43 ? 10.799 -6.696 4.012 1.00 95.91 43 A 1 ATOM 348 C CA . ASP A 1 43 ? 11.871 -7.453 4.652 1.00 95.08 43 A 1 ATOM 349 C C . ASP A 1 43 ? 12.744 -6.519 5.497 1.00 94.33 43 A 1 ATOM 350 O O . ASP A 1 43 ? 13.229 -5.492 5.014 1.00 92.08 43 A 1 ATOM 351 C CB . ASP A 1 43 ? 12.739 -8.159 3.599 1.00 93.88 43 A 1 ATOM 352 C CG . ASP A 1 43 ? 11.979 -9.233 2.822 1.00 92.22 43 A 1 ATOM 353 O OD1 . ASP A 1 43 ? 11.281 -10.039 3.477 1.00 88.87 43 A 1 ATOM 354 O OD2 . ASP A 1 43 ? 12.104 -9.254 1.579 1.00 88.90 43 A 1 ATOM 355 N N . ASN A 1 44 ? 12.995 -6.900 6.749 1.00 93.70 44 A 1 ATOM 356 C CA . ASN A 1 44 ? 13.981 -6.248 7.605 1.00 92.39 44 A 1 ATOM 357 C C . ASN A 1 44 ? 14.818 -7.281 8.381 1.00 93.33 44 A 1 ATOM 358 O O . ASN A 1 44 ? 14.655 -8.489 8.227 1.00 91.84 44 A 1 ATOM 359 C CB . ASN A 1 44 ? 13.276 -5.198 8.493 1.00 89.23 44 A 1 ATOM 360 C CG . ASN A 1 44 ? 12.412 -5.766 9.613 1.00 87.24 44 A 1 ATOM 361 O OD1 . ASN A 1 44 ? 12.500 -6.910 10.022 1.00 81.95 44 A 1 ATOM 362 N ND2 . ASN A 1 44 ? 11.573 -4.950 10.206 1.00 81.73 44 A 1 ATOM 363 N N . GLU A 1 45 ? 15.701 -6.806 9.255 1.00 92.82 45 A 1 ATOM 364 C CA . GLU A 1 45 ? 16.564 -7.651 10.094 1.00 93.09 45 A 1 ATOM 365 C C . GLU A 1 45 ? 15.808 -8.604 11.036 1.00 93.27 45 A 1 ATOM 366 O O . GLU A 1 45 ? 16.354 -9.623 11.448 1.00 90.64 45 A 1 ATOM 367 C CB . GLU A 1 45 ? 17.521 -6.739 10.879 1.00 92.40 45 A 1 ATOM 368 C CG . GLU A 1 45 ? 16.799 -5.811 11.875 1.00 82.58 45 A 1 ATOM 369 C CD . GLU A 1 45 ? 17.723 -4.749 12.504 1.00 74.80 45 A 1 ATOM 370 O OE1 . GLU A 1 45 ? 17.169 -3.858 13.185 1.00 68.85 45 A 1 ATOM 371 O OE2 . GLU A 1 45 ? 18.956 -4.823 12.293 1.00 69.57 45 A 1 ATOM 372 N N . ASN A 1 46 ? 14.542 -8.312 11.338 1.00 92.38 46 A 1 ATOM 373 C CA . ASN A 1 46 ? 13.667 -9.133 12.175 1.00 91.58 46 A 1 ATOM 374 C C . ASN A 1 46 ? 12.780 -10.087 11.356 1.00 92.46 46 A 1 ATOM 375 O O . ASN A 1 46 ? 11.946 -10.790 11.929 1.00 89.87 46 A 1 ATOM 376 C CB . ASN A 1 46 ? 12.847 -8.214 13.093 1.00 89.82 46 A 1 ATOM 377 C CG . ASN A 1 46 ? 13.732 -7.364 13.984 1.00 85.94 46 A 1 ATOM 378 O OD1 . ASN A 1 46 ? 14.554 -7.858 14.732 1.00 79.29 46 A 1 ATOM 379 N ND2 . ASN A 1 46 ? 13.600 -6.061 13.931 1.00 78.19 46 A 1 ATOM 380 N N . GLY A 1 47 ? 12.946 -10.125 10.035 1.00 94.20 47 A 1 ATOM 381 C CA . GLY A 1 47 ? 12.201 -10.968 9.108 1.00 94.38 47 A 1 ATOM 382 C C . GLY A 1 47 ? 11.195 -10.196 8.257 1.00 95.77 47 A 1 ATOM 383 O O . GLY A 1 47 ? 11.227 -8.968 8.153 1.00 94.94 47 A 1 ATOM 384 N N . HIS A 1 48 ? 10.301 -10.972 7.621 1.00 96.00 48 A 1 ATOM 385 C CA . HIS A 1 48 ? 9.280 -10.455 6.721 1.00 97.16 48 A 1 ATOM 386 C C . HIS A 1 48 ? 7.993 -10.108 7.470 1.00 97.41 48 A 1 ATOM 387 O O . HIS A 1 48 ? 7.486 -10.909 8.261 1.00 96.46 48 A 1 ATOM 388 C CB . HIS A 1 48 ? 9.007 -11.494 5.630 1.00 96.73 48 A 1 ATOM 389 C CG . HIS A 1 48 ? 8.143 -10.945 4.525 1.00 97.29 48 A 1 ATOM 390 N ND1 . HIS A 1 48 ? 8.586 -10.119 3.515 1.00 93.78 48 A 1 ATOM 391 C CD2 . HIS A 1 48 ? 6.808 -11.146 4.332 1.00 94.32 48 A 1 ATOM 392 C CE1 . HIS A 1 48 ? 7.537 -9.837 2.732 1.00 94.41 48 A 1 ATOM 393 N NE2 . HIS A 1 48 ? 6.434 -10.442 3.189 1.00 94.86 48 A 1 ATOM 394 N N . PHE A 1 49 ? 7.410 -8.947 7.166 1.00 97.20 49 A 1 ATOM 395 C CA . PHE A 1 49 ? 6.048 -8.598 7.573 1.00 97.02 49 A 1 ATOM 396 C C . PHE A 1 49 ? 5.301 -7.907 6.432 1.00 97.65 49 A 1 ATOM 397 O O . PHE A 1 49 ? 5.900 -7.364 5.507 1.00 97.14 49 A 1 ATOM 398 C CB . PHE A 1 49 ? 6.059 -7.762 8.860 1.00 95.17 49 A 1 ATOM 399 C CG . PHE A 1 49 ? 6.650 -6.375 8.714 1.00 93.08 49 A 1 ATOM 400 C CD1 . PHE A 1 49 ? 8.043 -6.187 8.803 1.00 88.31 49 A 1 ATOM 401 C CD2 . PHE A 1 49 ? 5.809 -5.269 8.498 1.00 89.55 49 A 1 ATOM 402 C CE1 . PHE A 1 49 ? 8.591 -4.901 8.682 1.00 82.80 49 A 1 ATOM 403 C CE2 . PHE A 1 49 ? 6.358 -3.981 8.375 1.00 85.42 49 A 1 ATOM 404 C CZ . PHE A 1 49 ? 7.749 -3.795 8.468 1.00 82.10 49 A 1 ATOM 405 N N . TYR A 1 50 ? 3.974 -7.954 6.492 1.00 98.18 50 A 1 ATOM 406 C CA . TYR A 1 50 ? 3.124 -7.483 5.401 1.00 98.36 50 A 1 ATOM 407 C C . TYR A 1 50 ? 1.818 -6.917 5.947 1.00 98.34 50 A 1 ATOM 408 O O . TYR A 1 50 ? 1.362 -7.328 7.018 1.00 98.01 50 A 1 ATOM 409 C CB . TYR A 1 50 ? 2.865 -8.627 4.409 1.00 98.27 50 A 1 ATOM 410 C CG . TYR A 1 50 ? 2.247 -9.863 5.034 1.00 98.28 50 A 1 ATOM 411 C CD1 . TYR A 1 50 ? 3.078 -10.840 5.621 1.00 97.60 50 A 1 ATOM 412 C CD2 . TYR A 1 50 ? 0.845 -10.028 5.078 1.00 97.73 50 A 1 ATOM 413 C CE1 . TYR A 1 50 ? 2.520 -11.959 6.263 1.00 97.06 50 A 1 ATOM 414 C CE2 . TYR A 1 50 ? 0.282 -11.149 5.722 1.00 96.97 50 A 1 ATOM 415 C CZ . TYR A 1 50 ? 1.123 -12.110 6.322 1.00 97.28 50 A 1 ATOM 416 O OH . TYR A 1 50 ? 0.589 -13.181 6.970 1.00 96.07 50 A 1 ATOM 417 N N . GLY A 1 51 ? 1.211 -5.997 5.198 1.00 98.29 51 A 1 ATOM 418 C CA . GLY A 1 51 ? -0.009 -5.347 5.647 1.00 98.26 51 A 1 ATOM 419 C C . GLY A 1 51 ? -0.434 -4.154 4.802 1.00 98.43 51 A 1 ATOM 420 O O . GLY A 1 51 ? -0.130 -4.071 3.610 1.00 98.16 51 A 1 ATOM 421 N N . VAL A 1 52 ? -1.174 -3.263 5.451 1.00 98.13 52 A 1 ATOM 422 C CA . VAL A 1 52 ? -1.767 -2.059 4.876 1.00 98.05 52 A 1 ATOM 423 C C . VAL A 1 52 ? -1.435 -0.862 5.760 1.00 97.81 52 A 1 ATOM 424 O O . VAL A 1 52 ? -1.466 -0.971 6.985 1.00 96.89 52 A 1 ATOM 425 C CB . VAL A 1 52 ? -3.290 -2.241 4.740 1.00 97.45 52 A 1 ATOM 426 C CG1 . VAL A 1 52 ? -3.986 -0.960 4.289 1.00 93.91 52 A 1 ATOM 427 C CG2 . VAL A 1 52 ? -3.620 -3.348 3.725 1.00 94.39 52 A 1 ATOM 428 N N . TYR A 1 53 ? -1.157 0.268 5.130 1.00 97.08 53 A 1 ATOM 429 C CA . TYR A 1 53 ? -0.951 1.553 5.790 1.00 96.50 53 A 1 ATOM 430 C C . TYR A 1 53 ? -1.790 2.647 5.122 1.00 96.47 53 A 1 ATOM 431 O O . TYR A 1 53 ? -1.850 2.719 3.892 1.00 95.74 53 A 1 ATOM 432 C CB . TYR A 1 53 ? 0.542 1.902 5.747 1.00 95.31 53 A 1 ATOM 433 C CG . TYR A 1 53 ? 0.857 3.316 6.204 1.00 92.97 53 A 1 ATOM 434 C CD1 . TYR A 1 53 ? 1.133 4.324 5.255 1.00 89.18 53 A 1 ATOM 435 C CD2 . TYR A 1 53 ? 0.842 3.635 7.575 1.00 88.68 53 A 1 ATOM 436 C CE1 . TYR A 1 53 ? 1.411 5.638 5.679 1.00 84.99 53 A 1 ATOM 437 C CE2 . TYR A 1 53 ? 1.113 4.946 8.004 1.00 84.95 53 A 1 ATOM 438 C CZ . TYR A 1 53 ? 1.403 5.951 7.055 1.00 84.21 53 A 1 ATOM 439 O OH . TYR A 1 53 ? 1.676 7.217 7.469 1.00 82.48 53 A 1 ATOM 440 N N . GLY A 1 54 ? -2.414 3.505 5.917 1.00 95.78 54 A 1 ATOM 441 C CA . GLY A 1 54 ? -3.122 4.694 5.443 1.00 95.50 54 A 1 ATOM 442 C C . GLY A 1 54 ? -4.300 5.114 6.320 1.00 95.68 54 A 1 ATOM 443 O O . GLY A 1 54 ? -4.735 4.365 7.197 1.00 94.43 54 A 1 ATOM 444 N N . ASP A 1 55 ? -4.851 6.298 6.050 1.00 95.10 55 A 1 ATOM 445 C CA . ASP A 1 55 ? -5.978 6.871 6.808 1.00 94.75 55 A 1 ATOM 446 C C . ASP A 1 55 ? -7.240 5.997 6.748 1.00 94.85 55 A 1 ATOM 447 O O . ASP A 1 55 ? -7.974 5.897 7.721 1.00 93.32 55 A 1 ATOM 448 C CB . ASP A 1 55 ? -6.304 8.275 6.269 1.00 93.62 55 A 1 ATOM 449 C CG . ASP A 1 55 ? -5.236 9.330 6.578 1.00 91.69 55 A 1 ATOM 450 O OD1 . ASP A 1 55 ? -4.396 9.111 7.480 1.00 89.58 55 A 1 ATOM 451 O OD2 . ASP A 1 55 ? -5.243 10.368 5.881 1.00 89.06 55 A 1 ATOM 452 N N . VAL A 1 56 ? -7.464 5.267 5.649 1.00 94.35 56 A 1 ATOM 453 C CA . VAL A 1 56 ? -8.610 4.346 5.477 1.00 94.13 56 A 1 ATOM 454 C C . VAL A 1 56 ? -8.657 3.210 6.516 1.00 94.57 56 A 1 ATOM 455 O O . VAL A 1 56 ? -9.694 2.576 6.720 1.00 92.89 56 A 1 ATOM 456 C CB . VAL A 1 56 ? -8.587 3.789 4.044 1.00 92.49 56 A 1 ATOM 457 C CG1 . VAL A 1 56 ? -7.460 2.772 3.822 1.00 82.07 56 A 1 ATOM 458 C CG2 . VAL A 1 56 ? -9.916 3.135 3.651 1.00 82.46 56 A 1 ATOM 459 N N . VAL A 1 57 ? -7.525 2.916 7.167 1.00 94.91 57 A 1 ATOM 460 C CA . VAL A 1 57 ? -7.400 1.915 8.240 1.00 94.54 57 A 1 ATOM 461 C C . VAL A 1 57 ? -6.944 2.521 9.572 1.00 94.12 57 A 1 ATOM 462 O O . VAL A 1 57 ? -6.564 1.769 10.465 1.00 92.42 57 A 1 ATOM 463 C CB . VAL A 1 57 ? -6.515 0.722 7.820 1.00 94.52 57 A 1 ATOM 464 C CG1 . VAL A 1 57 ? -7.130 -0.039 6.638 1.00 92.96 57 A 1 ATOM 465 C CG2 . VAL A 1 57 ? -5.075 1.112 7.461 1.00 93.11 57 A 1 ATOM 466 N N . ASP A 1 58 ? -6.984 3.841 9.703 1.00 93.51 58 A 1 ATOM 467 C CA . ASP A 1 58 ? -6.525 4.592 10.881 1.00 93.23 58 A 1 ATOM 468 C C . ASP A 1 58 ? -5.080 4.229 11.285 1.00 93.64 58 A 1 ATOM 469 O O . ASP A 1 58 ? -4.779 3.830 12.412 1.00 91.74 58 A 1 ATOM 470 C CB . ASP A 1 58 ? -7.561 4.479 12.012 1.00 91.93 58 A 1 ATOM 471 C CG . ASP A 1 58 ? -7.304 5.465 13.158 1.00 86.99 58 A 1 ATOM 472 O OD1 . ASP A 1 58 ? -6.751 6.561 12.889 1.00 83.51 58 A 1 ATOM 473 O OD2 . ASP A 1 58 ? -7.703 5.130 14.300 1.00 81.85 58 A 1 ATOM 474 N N . GLY A 1 59 ? -4.175 4.288 10.305 1.00 93.55 59 A 1 ATOM 475 C CA . GLY A 1 59 ? -2.752 4.022 10.499 1.00 93.65 59 A 1 ATOM 476 C C . GLY A 1 59 ? -2.290 2.742 9.817 1.00 94.90 59 A 1 ATOM 477 O O . GLY A 1 59 ? -2.040 2.750 8.612 1.00 93.77 59 A 1 ATOM 478 N N . GLN A 1 60 ? -2.109 1.639 10.571 1.00 95.22 60 A 1 ATOM 479 C CA . GLN A 1 60 ? -1.440 0.440 10.064 1.00 95.88 60 A 1 ATOM 480 C C . GLN A 1 60 ? -2.063 -0.864 10.572 1.00 96.61 60 A 1 ATOM 481 O O . GLN A 1 60 ? -2.205 -1.085 11.775 1.00 95.75 60 A 1 ATOM 482 C CB . GLN A 1 60 ? 0.047 0.533 10.420 1.00 93.46 60 A 1 ATOM 483 C CG . GLN A 1 60 ? 0.909 -0.511 9.701 1.00 85.85 60 A 1 ATOM 484 C CD . GLN A 1 60 ? 2.398 -0.249 9.956 1.00 84.88 60 A 1 ATOM 485 O OE1 . GLN A 1 60 ? 2.976 0.755 9.573 1.00 77.57 60 A 1 ATOM 486 N NE2 . GLN A 1 60 ? 3.092 -1.117 10.643 1.00 73.39 60 A 1 ATOM 487 N N . ILE A 1 61 ? -2.353 -1.777 9.641 1.00 96.94 61 A 1 ATOM 488 C CA . ILE A 1 61 ? -2.790 -3.154 9.915 1.00 97.61 61 A 1 ATOM 489 C C . ILE A 1 61 ? -1.791 -4.099 9.250 1.00 97.98 61 A 1 ATOM 490 O O . ILE A 1 61 ? -1.757 -4.188 8.026 1.00 97.60 61 A 1 ATOM 491 C CB . ILE A 1 61 ? -4.237 -3.384 9.416 1.00 97.25 61 A 1 ATOM 492 C CG1 . ILE A 1 61 ? -5.215 -2.474 10.198 1.00 94.62 61 A 1 ATOM 493 C CG2 . ILE A 1 61 ? -4.637 -4.869 9.558 1.00 94.69 61 A 1 ATOM 494 C CD1 . ILE A 1 61 ? -6.688 -2.650 9.818 1.00 86.74 61 A 1 ATOM 495 N N . ASP A 1 62 ? -0.971 -4.813 10.023 1.00 97.51 62 A 1 ATOM 496 C CA . ASP A 1 62 ? 0.052 -5.717 9.493 1.00 97.39 62 A 1 ATOM 497 C C . ASP A 1 62 ? 0.213 -7.017 10.297 1.00 97.74 62 A 1 ATOM 498 O O . ASP A 1 62 ? -0.274 -7.159 11.420 1.00 97.35 62 A 1 ATOM 499 C CB . ASP A 1 62 ? 1.381 -4.970 9.320 1.00 96.01 62 A 1 ATOM 500 C CG . ASP A 1 62 ? 2.094 -4.674 10.637 1.00 95.08 62 A 1 ATOM 501 O OD1 . ASP A 1 62 ? 2.519 -5.619 11.343 1.00 92.49 62 A 1 ATOM 502 O OD2 . ASP A 1 62 ? 2.330 -3.492 10.938 1.00 90.92 62 A 1 ATOM 503 N N . SER A 1 63 ? 0.944 -7.972 9.706 1.00 97.87 63 A 1 ATOM 504 C CA . SER A 1 63 ? 1.111 -9.343 10.198 1.00 97.78 63 A 1 ATOM 505 C C . SER A 1 63 ? 1.832 -9.483 11.544 1.00 97.59 63 A 1 ATOM 506 O O . SER A 1 63 ? 1.863 -10.585 12.092 1.00 97.12 63 A 1 ATOM 507 C CB . SER A 1 63 ? 1.851 -10.175 9.144 1.00 97.72 63 A 1 ATOM 508 O OG . SER A 1 63 ? 3.146 -9.650 8.905 1.00 97.28 63 A 1 ATOM 509 N N . ARG A 1 64 ? 2.400 -8.415 12.101 1.00 96.77 64 A 1 ATOM 510 C CA . ARG A 1 64 ? 2.996 -8.444 13.446 1.00 96.09 64 A 1 ATOM 511 C C . ARG A 1 64 ? 1.933 -8.473 14.542 1.00 96.18 64 A 1 ATOM 512 O O . ARG A 1 64 ? 2.208 -8.964 15.632 1.00 95.40 64 A 1 ATOM 513 C CB . ARG A 1 64 ? 3.921 -7.235 13.636 1.00 95.56 64 A 1 ATOM 514 C CG . ARG A 1 64 ? 5.074 -7.218 12.619 1.00 94.75 64 A 1 ATOM 515 C CD . ARG A 1 64 ? 5.889 -5.929 12.719 1.00 93.23 64 A 1 ATOM 516 N NE . ARG A 1 64 ? 5.115 -4.765 12.235 1.00 90.78 64 A 1 ATOM 517 C CZ . ARG A 1 64 ? 5.553 -3.518 12.164 1.00 89.53 64 A 1 ATOM 518 N NH1 . ARG A 1 64 ? 6.754 -3.183 12.538 1.00 85.24 64 A 1 ATOM 519 N NH2 . ARG A 1 64 ? 4.784 -2.581 11.713 1.00 84.89 64 A 1 ATOM 520 N N . TYR A 1 65 ? 0.738 -7.949 14.246 1.00 96.98 65 A 1 ATOM 521 C CA . TYR A 1 65 ? -0.326 -7.764 15.239 1.00 96.74 65 A 1 ATOM 522 C C . TYR A 1 65 ? -1.702 -8.258 14.774 1.00 97.25 65 A 1 ATOM 523 O O . TYR A 1 65 ? -2.591 -8.442 15.606 1.00 96.46 65 A 1 ATOM 524 C CB . TYR A 1 65 ? -0.397 -6.277 15.607 1.00 95.89 65 A 1 ATOM 525 C CG . TYR A 1 65 ? 0.926 -5.676 16.051 1.00 94.18 65 A 1 ATOM 526 C CD1 . TYR A 1 65 ? 1.517 -6.088 17.265 1.00 90.73 65 A 1 ATOM 527 C CD2 . TYR A 1 65 ? 1.577 -4.725 15.244 1.00 91.01 65 A 1 ATOM 528 C CE1 . TYR A 1 65 ? 2.756 -5.552 17.668 1.00 89.01 65 A 1 ATOM 529 C CE2 . TYR A 1 65 ? 2.817 -4.186 15.642 1.00 88.87 65 A 1 ATOM 530 C CZ . TYR A 1 65 ? 3.407 -4.601 16.855 1.00 88.46 65 A 1 ATOM 531 O OH . TYR A 1 65 ? 4.612 -4.087 17.240 1.00 86.15 65 A 1 ATOM 532 N N . PHE A 1 66 ? -1.890 -8.478 13.476 1.00 97.84 66 A 1 ATOM 533 C CA . PHE A 1 66 ? -3.185 -8.790 12.882 1.00 98.09 66 A 1 ATOM 534 C C . PHE A 1 66 ? -3.156 -10.087 12.067 1.00 98.24 66 A 1 ATOM 535 O O . PHE A 1 66 ? -2.125 -10.507 11.533 1.00 97.79 66 A 1 ATOM 536 C CB . PHE A 1 66 ? -3.660 -7.595 12.050 1.00 97.96 66 A 1 ATOM 537 C CG . PHE A 1 66 ? -3.889 -6.329 12.861 1.00 97.79 66 A 1 ATOM 538 C CD1 . PHE A 1 66 ? -5.136 -6.092 13.468 1.00 96.42 66 A 1 ATOM 539 C CD2 . PHE A 1 66 ? -2.850 -5.394 13.017 1.00 96.68 66 A 1 ATOM 540 C CE1 . PHE A 1 66 ? -5.346 -4.918 14.215 1.00 95.73 66 A 1 ATOM 541 C CE2 . PHE A 1 66 ? -3.058 -4.222 13.769 1.00 95.95 66 A 1 ATOM 542 C CZ . PHE A 1 66 ? -4.307 -3.983 14.363 1.00 95.76 66 A 1 ATOM 543 N N . SER A 1 67 ? -4.316 -10.733 11.961 1.00 98.03 67 A 1 ATOM 544 C CA . SER A 1 67 ? -4.520 -11.930 11.143 1.00 98.07 67 A 1 ATOM 545 C C . SER A 1 67 ? -4.589 -11.604 9.649 1.00 98.19 67 A 1 ATOM 546 O O . SER A 1 67 ? -4.913 -10.486 9.251 1.00 98.14 67 A 1 ATOM 547 C CB . SER A 1 67 ? -5.798 -12.657 11.585 1.00 97.85 67 A 1 ATOM 548 O OG . SER A 1 67 ? -6.945 -11.866 11.339 1.00 96.83 67 A 1 ATOM 549 N N . ASP A 1 68 ? -4.386 -12.626 8.818 1.00 98.03 68 A 1 ATOM 550 C CA . ASP A 1 68 ? -4.579 -12.527 7.367 1.00 98.08 68 A 1 ATOM 551 C C . ASP A 1 68 ? -5.983 -12.023 6.991 1.00 98.19 68 A 1 ATOM 552 O O . ASP A 1 68 ? -6.112 -11.234 6.063 1.00 97.93 68 A 1 ATOM 553 C CB . ASP A 1 68 ? -4.371 -13.902 6.717 1.00 97.71 68 A 1 ATOM 554 C CG . ASP A 1 68 ? -2.920 -14.314 6.497 1.00 97.05 68 A 1 ATOM 555 O OD1 . ASP A 1 68 ? -1.971 -13.569 6.816 1.00 95.10 68 A 1 ATOM 556 O OD2 . ASP A 1 68 ? -2.716 -15.407 5.913 1.00 94.72 68 A 1 ATOM 557 N N . ASP A 1 69 ? -7.023 -12.429 7.721 1.00 98.00 69 A 1 ATOM 558 C CA . ASP A 1 69 ? -8.394 -11.970 7.463 1.00 97.91 69 A 1 ATOM 559 C C . ASP A 1 69 ? -8.557 -10.465 7.723 1.00 98.01 69 A 1 ATOM 560 O O . ASP A 1 69 ? -9.210 -9.764 6.948 1.00 97.74 69 A 1 ATOM 561 C CB . ASP A 1 69 ? -9.391 -12.749 8.342 1.00 97.48 69 A 1 ATOM 562 C CG . ASP A 1 69 ? -9.551 -14.226 7.958 1.00 91.49 69 A 1 ATOM 563 O OD1 . ASP A 1 69 ? -9.190 -14.598 6.818 1.00 86.67 69 A 1 ATOM 564 O OD2 . ASP A 1 69 ? -10.052 -14.982 8.822 1.00 86.24 69 A 1 ATOM 565 N N . ALA A 1 70 ? -7.938 -9.945 8.780 1.00 98.11 70 A 1 ATOM 566 C CA . ALA A 1 70 ? -7.948 -8.509 9.065 1.00 98.12 70 A 1 ATOM 567 C C . ALA A 1 70 ? -7.186 -7.718 7.988 1.00 98.20 70 A 1 ATOM 568 O O . ALA A 1 70 ? -7.674 -6.692 7.512 1.00 97.90 70 A 1 ATOM 569 C CB . ALA A 1 70 ? -7.366 -8.278 10.465 1.00 97.97 70 A 1 ATOM 570 N N . ILE A 1 71 ? -6.030 -8.226 7.556 1.00 98.18 71 A 1 ATOM 571 C CA . ILE A 1 71 ? -5.240 -7.630 6.470 1.00 98.29 71 A 1 ATOM 572 C C . ILE A 1 71 ? -6.008 -7.694 5.146 1.00 98.21 71 A 1 ATOM 573 O O . ILE A 1 71 ? -6.047 -6.707 4.416 1.00 98.13 71 A 1 ATOM 574 C CB . ILE A 1 71 ? -3.859 -8.318 6.373 1.00 98.40 71 A 1 ATOM 575 C CG1 . ILE A 1 71 ? -3.046 -8.063 7.666 1.00 97.99 71 A 1 ATOM 576 C CG2 . ILE A 1 71 ? -3.072 -7.801 5.150 1.00 98.16 71 A 1 ATOM 577 C CD1 . ILE A 1 71 ? -1.827 -8.978 7.808 1.00 97.26 71 A 1 ATOM 578 N N . LEU A 1 72 ? -6.663 -8.812 4.846 1.00 98.02 72 A 1 ATOM 579 C CA . LEU A 1 72 ? -7.478 -8.963 3.642 1.00 97.84 72 A 1 ATOM 580 C C . LEU A 1 72 ? -8.619 -7.936 3.601 1.00 97.75 72 A 1 ATOM 581 O O . LEU A 1 72 ? -8.814 -7.292 2.574 1.00 97.58 72 A 1 ATOM 582 C CB . LEU A 1 72 ? -8.007 -10.407 3.572 1.00 97.47 72 A 1 ATOM 583 C CG . LEU A 1 72 ? -8.784 -10.719 2.280 1.00 94.24 72 A 1 ATOM 584 C CD1 . LEU A 1 72 ? -7.890 -10.640 1.041 1.00 92.26 72 A 1 ATOM 585 C CD2 . LEU A 1 72 ? -9.354 -12.139 2.350 1.00 92.13 72 A 1 ATOM 586 N N . ASN A 1 73 ? -9.316 -7.732 4.719 1.00 97.69 73 A 1 ATOM 587 C CA . ASN A 1 73 ? -10.348 -6.697 4.829 1.00 97.37 73 A 1 ATOM 588 C C . ASN A 1 73 ? -9.777 -5.281 4.630 1.00 97.37 73 A 1 ATOM 589 O O . ASN A 1 73 ? -10.416 -4.440 4.003 1.00 96.94 73 A 1 ATOM 590 C CB . ASN A 1 73 ? -11.017 -6.806 6.209 1.00 97.00 73 A 1 ATOM 591 C CG . ASN A 1 73 ? -11.908 -8.031 6.352 1.00 91.10 73 A 1 ATOM 592 O OD1 . ASN A 1 73 ? -12.500 -8.538 5.416 1.00 81.52 73 A 1 ATOM 593 N ND2 . ASN A 1 73 ? -12.079 -8.525 7.554 1.00 79.57 73 A 1 ATOM 594 N N . ALA A 1 74 ? -8.578 -5.014 5.136 1.00 97.62 74 A 1 ATOM 595 C CA . ALA A 1 74 ? -7.894 -3.740 4.930 1.00 97.63 74 A 1 ATOM 596 C C . ALA A 1 74 ? -7.503 -3.521 3.454 1.00 97.66 74 A 1 ATOM 597 O O . ALA A 1 74 ? -7.682 -2.426 2.925 1.00 97.47 74 A 1 ATOM 598 C CB . ALA A 1 74 ? -6.680 -3.702 5.865 1.00 97.63 74 A 1 ATOM 599 N N . ILE A 1 75 ? -7.043 -4.574 2.775 1.00 97.79 75 A 1 ATOM 600 C CA . ILE A 1 75 ? -6.780 -4.542 1.327 1.00 97.83 75 A 1 ATOM 601 C C . ILE A 1 75 ? -8.074 -4.247 0.558 1.00 97.53 75 A 1 ATOM 602 O O . ILE A 1 75 ? -8.069 -3.375 -0.307 1.00 97.35 75 A 1 ATOM 603 C CB . ILE A 1 75 ? -6.118 -5.855 0.844 1.00 98.11 75 A 1 ATOM 604 C CG1 . ILE A 1 75 ? -4.702 -6.018 1.444 1.00 97.88 75 A 1 ATOM 605 C CG2 . ILE A 1 75 ? -6.019 -5.891 -0.695 1.00 97.80 75 A 1 ATOM 606 C CD1 . ILE A 1 75 ? -4.112 -7.422 1.277 1.00 97.62 75 A 1 ATOM 607 N N . ASP A 1 76 ? -9.178 -4.927 0.886 1.00 97.44 76 A 1 ATOM 608 C CA . ASP A 1 76 ? -10.470 -4.685 0.232 1.00 97.06 76 A 1 ATOM 609 C C . ASP A 1 76 ? -10.934 -3.221 0.394 1.00 96.79 76 A 1 ATOM 610 O O . ASP A 1 76 ? -11.431 -2.640 -0.570 1.00 96.11 76 A 1 ATOM 611 C CB . ASP A 1 76 ? -11.537 -5.666 0.766 1.00 96.55 76 A 1 ATOM 612 C CG . ASP A 1 76 ? -11.543 -7.051 0.087 1.00 92.51 76 A 1 ATOM 613 O OD1 . ASP A 1 76 ? -11.268 -7.140 -1.137 1.00 87.44 76 A 1 ATOM 614 O OD2 . ASP A 1 76 ? -11.929 -8.043 0.752 1.00 87.43 76 A 1 ATOM 615 N N . LYS A 1 77 ? -10.711 -2.600 1.556 1.00 96.53 77 A 1 ATOM 616 C CA . LYS A 1 77 ? -11.000 -1.165 1.765 1.00 96.01 77 A 1 ATOM 617 C C . LYS A 1 77 ? -10.192 -0.264 0.828 1.00 96.05 77 A 1 ATOM 618 O O . LYS A 1 77 ? -10.759 0.650 0.244 1.00 95.36 77 A 1 ATOM 619 C CB . LYS A 1 77 ? -10.725 -0.750 3.215 1.00 95.49 77 A 1 ATOM 620 C CG . LYS A 1 77 ? -11.767 -1.248 4.219 1.00 92.87 77 A 1 ATOM 621 C CD . LYS A 1 77 ? -11.355 -0.753 5.613 1.00 89.42 77 A 1 ATOM 622 C CE . LYS A 1 77 ? -12.373 -1.125 6.691 1.00 84.83 77 A 1 ATOM 623 N NZ . LYS A 1 77 ? -12.069 -0.392 7.952 1.00 77.24 77 A 1 ATOM 624 N N . LEU A 1 78 ? -8.893 -0.527 0.663 1.00 96.53 78 A 1 ATOM 625 C CA . LEU A 1 78 ? -8.071 0.243 -0.278 1.00 96.45 78 A 1 ATOM 626 C C . LEU A 1 78 ? -8.500 0.021 -1.733 1.00 96.39 78 A 1 ATOM 627 O O . LEU A 1 78 ? -8.585 0.978 -2.499 1.00 95.88 78 A 1 ATOM 628 C CB . LEU A 1 78 ? -6.588 -0.109 -0.104 1.00 96.32 78 A 1 ATOM 629 C CG . LEU A 1 78 ? -5.882 0.590 1.070 1.00 94.16 78 A 1 ATOM 630 C CD1 . LEU A 1 78 ? -4.411 0.184 1.046 1.00 89.27 78 A 1 ATOM 631 C CD2 . LEU A 1 78 ? -5.904 2.113 0.966 1.00 89.44 78 A 1 ATOM 632 N N . LEU A 1 79 ? -8.808 -1.218 -2.108 1.00 96.59 79 A 1 ATOM 633 C CA . LEU A 1 79 ? -9.268 -1.545 -3.463 1.00 96.50 79 A 1 ATOM 634 C C . LEU A 1 79 ? -10.657 -0.981 -3.787 1.00 96.16 79 A 1 ATOM 635 O O . LEU A 1 79 ? -11.025 -0.940 -4.957 1.00 95.57 79 A 1 ATOM 636 C CB . LEU A 1 79 ? -9.274 -3.069 -3.653 1.00 96.82 79 A 1 ATOM 637 C CG . LEU A 1 79 ? -7.889 -3.730 -3.667 1.00 96.33 79 A 1 ATOM 638 C CD1 . LEU A 1 79 ? -8.079 -5.228 -3.917 1.00 95.72 79 A 1 ATOM 639 C CD2 . LEU A 1 79 ? -6.978 -3.176 -4.758 1.00 95.73 79 A 1 ATOM 640 N N . PHE A 1 80 ? -11.431 -0.575 -2.784 1.00 95.80 80 A 1 ATOM 641 C CA . PHE A 1 80 ? -12.672 0.164 -3.003 1.00 94.88 80 A 1 ATOM 642 C C . PHE A 1 80 ? -12.420 1.601 -3.484 1.00 95.06 80 A 1 ATOM 643 O O . PHE A 1 80 ? -13.263 2.165 -4.177 1.00 94.02 80 A 1 ATOM 644 C CB . PHE A 1 80 ? -13.500 0.138 -1.710 1.00 93.62 80 A 1 ATOM 645 C CG . PHE A 1 80 ? -14.867 0.765 -1.857 1.00 85.08 80 A 1 ATOM 646 C CD1 . PHE A 1 80 ? -15.084 2.102 -1.463 1.00 79.51 80 A 1 ATOM 647 C CD2 . PHE A 1 80 ? -15.917 0.032 -2.447 1.00 77.52 80 A 1 ATOM 648 C CE1 . PHE A 1 80 ? -16.344 2.698 -1.660 1.00 72.02 80 A 1 ATOM 649 C CE2 . PHE A 1 80 ? -17.173 0.631 -2.644 1.00 72.04 80 A 1 ATOM 650 C CZ . PHE A 1 80 ? -17.385 1.964 -2.252 1.00 69.83 80 A 1 ATOM 651 N N . LEU A 1 81 ? -11.271 2.175 -3.142 1.00 95.45 81 A 1 ATOM 652 C CA . LEU A 1 81 ? -10.895 3.531 -3.549 1.00 95.35 81 A 1 ATOM 653 C C . LEU A 1 81 ? -10.365 3.588 -4.986 1.00 95.53 81 A 1 ATOM 654 O O . LEU A 1 81 ? -10.555 4.590 -5.662 1.00 94.65 81 A 1 ATOM 655 C CB . LEU A 1 81 ? -9.836 4.089 -2.583 1.00 95.19 81 A 1 ATOM 656 C CG . LEU A 1 81 ? -10.229 4.123 -1.100 1.00 93.96 81 A 1 ATOM 657 C CD1 . LEU A 1 81 ? -9.068 4.705 -0.294 1.00 92.17 81 A 1 ATOM 658 C CD2 . LEU A 1 81 ? -11.474 4.975 -0.851 1.00 91.85 81 A 1 ATOM 659 N N . GLY A 1 82 ? -9.687 2.531 -5.447 1.00 96.00 82 A 1 ATOM 660 C CA . GLY A 1 82 ? -9.062 2.534 -6.764 1.00 96.22 82 A 1 ATOM 661 C C . GLY A 1 82 ? -8.226 1.296 -7.072 1.00 96.86 82 A 1 ATOM 662 O O . GLY A 1 82 ? -8.322 0.244 -6.424 1.00 96.68 82 A 1 ATOM 663 N N . ASP A 1 83 ? -7.401 1.410 -8.086 1.00 96.64 83 A 1 ATOM 664 C CA . ASP A 1 83 ? -6.574 0.324 -8.592 1.00 96.69 83 A 1 ATOM 665 C C . ASP A 1 83 ? -5.162 0.321 -7.977 1.00 96.99 83 A 1 ATOM 666 O O . ASP A 1 83 ? -4.520 1.364 -7.882 1.00 96.41 83 A 1 ATOM 667 C CB . ASP A 1 83 ? -6.529 0.365 -10.124 1.00 95.84 83 A 1 ATOM 668 C CG . ASP A 1 83 ? -7.747 -0.312 -10.760 1.00 91.68 83 A 1 ATOM 669 O OD1 . ASP A 1 83 ? -8.117 -1.414 -10.261 1.00 87.42 83 A 1 ATOM 670 O OD2 . ASP A 1 83 ? -8.206 0.140 -11.818 1.00 86.44 83 A 1 ATOM 671 N N . PRO A 1 84 ? -4.633 -0.858 -7.590 1.00 97.38 84 A 1 ATOM 672 C CA . PRO A 1 84 ? -3.276 -0.958 -7.073 1.00 97.46 84 A 1 ATOM 673 C C . PRO A 1 84 ? -2.262 -0.823 -8.211 1.00 97.27 84 A 1 ATOM 674 O O . PRO A 1 84 ? -2.318 -1.557 -9.205 1.00 96.58 84 A 1 ATOM 675 C CB . PRO A 1 84 ? -3.200 -2.326 -6.396 1.00 97.25 84 A 1 ATOM 676 C CG . PRO A 1 84 ? -4.178 -3.156 -7.231 1.00 95.94 84 A 1 ATOM 677 C CD . PRO A 1 84 ? -5.256 -2.151 -7.622 1.00 97.28 84 A 1 ATOM 678 N N . ILE A 1 85 ? -1.278 0.037 -8.006 1.00 96.59 85 A 1 ATOM 679 C CA . ILE A 1 85 ? -0.104 0.214 -8.865 1.00 96.12 85 A 1 ATOM 680 C C . ILE A 1 85 ? 1.169 -0.028 -8.043 1.00 96.43 85 A 1 ATOM 681 O O . ILE A 1 85 ? 1.262 0.401 -6.898 1.00 96.15 85 A 1 ATOM 682 C CB . ILE A 1 85 ? -0.141 1.591 -9.566 1.00 94.84 85 A 1 ATOM 683 C CG1 . ILE A 1 85 ? 1.034 1.714 -10.564 1.00 81.16 85 A 1 ATOM 684 C CG2 . ILE A 1 85 ? -0.157 2.761 -8.560 1.00 81.23 85 A 1 ATOM 685 C CD1 . ILE A 1 85 ? 0.919 2.903 -11.520 1.00 75.02 85 A 1 ATOM 686 N N . LYS A 1 86 ? 2.155 -0.732 -8.600 1.00 96.00 86 A 1 ATOM 687 C CA . LYS A 1 86 ? 3.427 -0.931 -7.894 1.00 95.97 86 A 1 ATOM 688 C C . LYS A 1 86 ? 4.099 0.412 -7.652 1.00 95.38 86 A 1 ATOM 689 O O . LYS A 1 86 ? 4.234 1.208 -8.574 1.00 94.49 86 A 1 ATOM 690 C CB . LYS A 1 86 ? 4.372 -1.856 -8.669 1.00 95.97 86 A 1 ATOM 691 C CG . LYS A 1 86 ? 3.895 -3.303 -8.589 1.00 91.95 86 A 1 ATOM 692 C CD . LYS A 1 86 ? 4.895 -4.251 -9.251 1.00 89.50 86 A 1 ATOM 693 C CE . LYS A 1 86 ? 4.361 -5.668 -9.041 1.00 84.65 86 A 1 ATOM 694 N NZ . LYS A 1 86 ? 5.275 -6.697 -9.572 1.00 77.26 86 A 1 ATOM 695 N N . ARG A 1 87 ? 4.593 0.627 -6.441 1.00 94.82 87 A 1 ATOM 696 C CA . ARG A 1 87 ? 5.296 1.883 -6.131 1.00 94.21 87 A 1 ATOM 697 C C . ARG A 1 87 ? 6.537 2.096 -6.993 1.00 93.84 87 A 1 ATOM 698 O O . ARG A 1 87 ? 6.870 3.232 -7.288 1.00 92.03 87 A 1 ATOM 699 C CB . ARG A 1 87 ? 5.665 1.937 -4.653 1.00 92.97 87 A 1 ATOM 700 C CG . ARG A 1 87 ? 4.429 2.170 -3.783 1.00 87.52 87 A 1 ATOM 701 C CD . ARG A 1 87 ? 4.823 2.535 -2.350 1.00 84.55 87 A 1 ATOM 702 N NE . ARG A 1 87 ? 5.512 3.832 -2.255 1.00 82.05 87 A 1 ATOM 703 C CZ . ARG A 1 87 ? 5.703 4.519 -1.136 1.00 79.83 87 A 1 ATOM 704 N NH1 . ARG A 1 87 ? 5.338 4.064 0.027 1.00 73.51 87 A 1 ATOM 705 N NH2 . ARG A 1 87 ? 6.264 5.698 -1.164 1.00 72.10 87 A 1 ATOM 706 N N . THR A 1 88 ? 7.186 1.025 -7.424 1.00 94.19 88 A 1 ATOM 707 C CA . THR A 1 88 ? 8.328 1.076 -8.356 1.00 93.71 88 A 1 ATOM 708 C C . THR A 1 88 ? 7.966 1.601 -9.745 1.00 93.45 88 A 1 ATOM 709 O O . THR A 1 88 ? 8.861 2.007 -10.476 1.00 92.00 88 A 1 ATOM 710 C CB . THR A 1 88 ? 8.948 -0.313 -8.533 1.00 93.60 88 A 1 ATOM 711 O OG1 . THR A 1 88 ? 7.968 -1.257 -8.921 1.00 91.04 88 A 1 ATOM 712 C CG2 . THR A 1 88 ? 9.583 -0.803 -7.233 1.00 89.91 88 A 1 ATOM 713 N N . ASP A 1 89 ? 6.684 1.564 -10.092 1.00 93.65 89 A 1 ATOM 714 C CA . ASP A 1 89 ? 6.182 1.980 -11.399 1.00 93.14 89 A 1 ATOM 715 C C . ASP A 1 89 ? 5.624 3.415 -11.354 1.00 92.73 89 A 1 ATOM 716 O O . ASP A 1 89 ? 5.251 3.965 -12.389 1.00 90.84 89 A 1 ATOM 717 C CB . ASP A 1 89 ? 5.122 0.974 -11.896 1.00 93.25 89 A 1 ATOM 718 C CG . ASP A 1 89 ? 5.582 -0.496 -11.958 1.00 92.44 89 A 1 ATOM 719 O OD1 . ASP A 1 89 ? 6.801 -0.785 -11.850 1.00 90.11 89 A 1 ATOM 720 O OD2 . ASP A 1 89 ? 4.693 -1.374 -12.074 1.00 90.26 89 A 1 ATOM 721 N N . LEU A 1 90 ? 5.563 4.027 -10.166 1.00 91.50 90 A 1 ATOM 722 C CA . LEU A 1 90 ? 5.188 5.428 -10.009 1.00 90.55 90 A 1 ATOM 723 C C . LEU A 1 90 ? 6.289 6.344 -10.564 1.00 88.83 90 A 1 ATOM 724 O O . LEU A 1 90 ? 7.477 6.036 -10.436 1.00 86.07 90 A 1 ATOM 725 C CB . LEU A 1 90 ? 4.898 5.766 -8.537 1.00 90.52 90 A 1 ATOM 726 C CG . LEU A 1 90 ? 3.667 5.066 -7.937 1.00 88.81 90 A 1 ATOM 727 C CD1 . LEU A 1 90 ? 3.495 5.510 -6.482 1.00 86.89 90 A 1 ATOM 728 C CD2 . LEU A 1 90 ? 2.379 5.401 -8.688 1.00 87.09 90 A 1 ATOM 729 N N . PRO A 1 91 ? 5.898 7.495 -11.144 1.00 87.79 91 A 1 ATOM 730 C CA . PRO A 1 91 ? 6.852 8.561 -11.420 1.00 84.33 91 A 1 ATOM 731 C C . PRO A 1 91 ? 7.457 9.099 -10.112 1.00 84.09 91 A 1 ATOM 732 O O . PRO A 1 91 ? 7.086 8.688 -9.014 1.00 80.47 91 A 1 ATOM 733 C CB . PRO A 1 91 ? 6.050 9.614 -12.194 1.00 82.28 91 A 1 ATOM 734 C CG . PRO A 1 91 ? 4.633 9.451 -11.652 1.00 81.44 91 A 1 ATOM 735 C CD . PRO A 1 91 ? 4.531 7.954 -11.383 1.00 84.68 91 A 1 ATOM 736 N N . SER A 1 92 ? 8.402 10.021 -10.215 1.00 82.89 92 A 1 ATOM 737 C CA . SER A 1 92 ? 8.971 10.644 -9.011 1.00 81.50 92 A 1 ATOM 738 C C . SER A 1 92 ? 7.885 11.352 -8.183 1.00 82.09 92 A 1 ATOM 739 O O . SER A 1 92 ? 6.877 11.793 -8.731 1.00 78.86 92 A 1 ATOM 740 C CB . SER A 1 92 ? 10.119 11.590 -9.392 1.00 79.18 92 A 1 ATOM 741 O OG . SER A 1 92 ? 9.690 12.884 -9.755 1.00 70.01 92 A 1 ATOM 742 N N . ASP A 1 93 ? 8.094 11.507 -6.865 1.00 76.28 93 A 1 ATOM 743 C CA . ASP A 1 93 ? 7.113 12.135 -5.954 1.00 75.02 93 A 1 ATOM 744 C C . ASP A 1 93 ? 6.640 13.541 -6.392 1.00 77.01 93 A 1 ATOM 745 O O . ASP A 1 93 ? 5.597 14.028 -5.947 1.00 74.53 93 A 1 ATOM 746 C CB . ASP A 1 93 ? 7.722 12.258 -4.544 1.00 71.54 93 A 1 ATOM 747 C CG . ASP A 1 93 ? 7.914 10.939 -3.784 1.00 64.34 93 A 1 ATOM 748 O OD1 . ASP A 1 93 ? 7.341 9.911 -4.196 1.00 60.96 93 A 1 ATOM 749 O OD2 . ASP A 1 93 ? 8.637 10.984 -2.759 1.00 60.26 93 A 1 ATOM 750 N N . ALA A 1 94 ? 7.403 14.210 -7.242 1.00 74.45 94 A 1 ATOM 751 C CA . ALA A 1 94 ? 7.058 15.516 -7.798 1.00 72.47 94 A 1 ATOM 752 C C . ALA A 1 94 ? 6.119 15.437 -9.018 1.00 76.04 94 A 1 ATOM 753 O O . ALA A 1 94 ? 5.533 16.452 -9.388 1.00 70.88 94 A 1 ATOM 754 C CB . ALA A 1 94 ? 8.367 16.238 -8.141 1.00 68.30 94 A 1 ATOM 755 N N . ASP A 1 95 ? 5.986 14.260 -9.631 1.00 80.63 95 A 1 ATOM 756 C CA . ASP A 1 95 ? 5.393 14.102 -10.964 1.00 80.89 95 A 1 ATOM 757 C C . ASP A 1 95 ? 4.022 13.401 -10.964 1.00 82.51 95 A 1 ATOM 758 O O . ASP A 1 95 ? 3.381 13.330 -12.016 1.00 78.95 95 A 1 ATOM 759 C CB . ASP A 1 95 ? 6.380 13.358 -11.883 1.00 76.69 95 A 1 ATOM 760 C CG . ASP A 1 95 ? 7.710 14.083 -12.104 1.00 69.75 95 A 1 ATOM 761 O OD1 . ASP A 1 95 ? 7.710 15.322 -12.278 1.00 65.88 95 A 1 ATOM 762 O OD2 . ASP A 1 95 ? 8.748 13.374 -12.102 1.00 66.70 95 A 1 ATOM 763 N N . PHE A 1 96 ? 3.547 12.885 -9.819 1.00 85.34 96 A 1 ATOM 764 C CA . PHE A 1 96 ? 2.200 12.326 -9.706 1.00 86.35 96 A 1 ATOM 765 C C . PHE A 1 96 ? 1.247 13.268 -8.958 1.00 87.78 96 A 1 ATOM 766 O O . PHE A 1 96 ? 1.632 14.006 -8.045 1.00 87.70 96 A 1 ATOM 767 C CB . PHE A 1 96 ? 2.230 10.907 -9.120 1.00 84.80 96 A 1 ATOM 768 C CG . PHE A 1 96 ? 2.633 10.799 -7.662 1.00 85.78 96 A 1 ATOM 769 C CD1 . PHE A 1 96 ? 3.956 10.467 -7.325 1.00 81.95 96 A 1 ATOM 770 C CD2 . PHE A 1 96 ? 1.681 10.982 -6.647 1.00 83.56 96 A 1 ATOM 771 C CE1 . PHE A 1 96 ? 4.326 10.325 -5.981 1.00 78.76 96 A 1 ATOM 772 C CE2 . PHE A 1 96 ? 2.049 10.848 -5.298 1.00 80.72 96 A 1 ATOM 773 C CZ . PHE A 1 96 ? 3.373 10.519 -4.963 1.00 81.22 96 A 1 ATOM 774 N N . LYS A 1 97 ? -0.029 13.230 -9.357 1.00 88.43 97 A 1 ATOM 775 C CA . LYS A 1 97 ? -1.097 13.930 -8.644 1.00 89.55 97 A 1 ATOM 776 C C . LYS A 1 97 ? -1.503 13.136 -7.403 1.00 91.09 97 A 1 ATOM 777 O O . LYS A 1 97 ? -1.417 11.913 -7.385 1.00 90.93 97 A 1 ATOM 778 C CB . LYS A 1 97 ? -2.302 14.125 -9.552 1.00 88.21 97 A 1 ATOM 779 C CG . LYS A 1 97 ? -2.045 15.061 -10.737 1.00 82.37 97 A 1 ATOM 780 C CD . LYS A 1 97 ? -3.373 15.146 -11.482 1.00 78.12 97 A 1 ATOM 781 C CE . LYS A 1 97 ? -3.353 16.033 -12.713 1.00 71.14 97 A 1 ATOM 782 N NZ . LYS A 1 97 ? -4.711 15.980 -13.308 1.00 61.87 97 A 1 ATOM 783 N N . ARG A 1 98 ? -1.958 13.836 -6.376 1.00 90.44 98 A 1 ATOM 784 C CA . ARG A 1 98 ? -2.374 13.251 -5.099 1.00 90.85 98 A 1 ATOM 785 C C . ARG A 1 98 ? -3.851 13.489 -4.859 1.00 91.25 98 A 1 ATOM 786 O O . ARG A 1 98 ? -4.352 14.579 -5.146 1.00 89.87 98 A 1 ATOM 787 C CB . ARG A 1 98 ? -1.527 13.837 -3.962 1.00 89.61 98 A 1 ATOM 788 C CG . ARG A 1 98 ? -0.100 13.275 -3.983 1.00 86.12 98 A 1 ATOM 789 C CD . ARG A 1 98 ? 0.838 14.078 -3.086 1.00 84.28 98 A 1 ATOM 790 N NE . ARG A 1 98 ? 1.320 15.295 -3.778 1.00 79.63 98 A 1 ATOM 791 C CZ . ARG A 1 98 ? 1.569 16.471 -3.244 1.00 73.68 98 A 1 ATOM 792 N NH1 . ARG A 1 98 ? 1.343 16.712 -1.988 1.00 68.37 98 A 1 ATOM 793 N NH2 . ARG A 1 98 ? 2.053 17.434 -3.979 1.00 66.33 98 A 1 ATOM 794 N N . THR A 1 99 ? -4.496 12.495 -4.270 1.00 91.49 99 A 1 ATOM 795 C CA . THR A 1 99 ? -5.848 12.569 -3.730 1.00 91.99 99 A 1 ATOM 796 C C . THR A 1 99 ? -5.863 12.049 -2.291 1.00 91.55 99 A 1 ATOM 797 O O . THR A 1 99 ? -4.883 11.463 -1.812 1.00 90.92 99 A 1 ATOM 798 C CB . THR A 1 99 ? -6.835 11.837 -4.656 1.00 92.27 99 A 1 ATOM 799 O OG1 . THR A 1 99 ? -8.147 12.154 -4.279 1.00 90.31 99 A 1 ATOM 800 C CG2 . THR A 1 99 ? -6.666 10.323 -4.623 1.00 89.69 99 A 1 ATOM 801 N N . PHE A 1 100 ? -6.954 12.312 -1.566 1.00 91.78 100 A 1 ATOM 802 C CA . PHE A 1 100 ? -7.074 12.006 -0.142 1.00 90.01 100 A 1 ATOM 803 C C . PHE A 1 100 ? -8.386 11.281 0.149 1.00 88.22 100 A 1 ATOM 804 O O . PHE A 1 100 ? -9.419 11.567 -0.450 1.00 86.15 100 A 1 ATOM 805 C CB . PHE A 1 100 ? -6.963 13.296 0.679 1.00 89.03 100 A 1 ATOM 806 C CG . PHE A 1 100 ? -5.733 14.131 0.376 1.00 85.52 100 A 1 ATOM 807 C CD1 . PHE A 1 100 ? -4.460 13.660 0.730 1.00 81.48 100 A 1 ATOM 808 C CD2 . PHE A 1 100 ? -5.860 15.366 -0.289 1.00 83.61 100 A 1 ATOM 809 C CE1 . PHE A 1 100 ? -3.314 14.417 0.424 1.00 77.91 100 A 1 ATOM 810 C CE2 . PHE A 1 100 ? -4.716 16.126 -0.590 1.00 78.63 100 A 1 ATOM 811 C CZ . PHE A 1 100 ? -3.443 15.651 -0.232 1.00 77.77 100 A 1 ATOM 812 N N . PHE A 1 101 ? -8.341 10.374 1.119 1.00 86.21 101 A 1 ATOM 813 C CA . PHE A 1 101 ? -9.544 9.759 1.662 1.00 83.76 101 A 1 ATOM 814 C C . PHE A 1 101 ? -10.179 10.671 2.723 1.00 81.31 101 A 1 ATOM 815 O O . PHE A 1 101 ? -9.494 11.174 3.620 1.00 78.29 101 A 1 ATOM 816 C CB . PHE A 1 101 ? -9.190 8.376 2.217 1.00 83.86 101 A 1 ATOM 817 C CG . PHE A 1 101 ? -10.357 7.672 2.869 1.00 82.88 101 A 1 ATOM 818 C CD1 . PHE A 1 101 ? -10.394 7.517 4.267 1.00 78.23 101 A 1 ATOM 819 C CD2 . PHE A 1 101 ? -11.422 7.194 2.086 1.00 79.54 101 A 1 ATOM 820 C CE1 . PHE A 1 101 ? -11.485 6.874 4.875 1.00 73.74 101 A 1 ATOM 821 C CE2 . PHE A 1 101 ? -12.515 6.556 2.696 1.00 75.64 101 A 1 ATOM 822 C CZ . PHE A 1 101 ? -12.546 6.392 4.090 1.00 75.44 101 A 1 ATOM 823 N N . PHE A 1 102 ? -11.501 10.842 2.621 1.00 81.29 102 A 1 ATOM 824 C CA . PHE A 1 102 ? -12.303 11.534 3.629 1.00 76.24 102 A 1 ATOM 825 C C . PHE A 1 102 ? -13.417 10.588 4.078 1.00 73.30 102 A 1 ATOM 826 O O . PHE A 1 102 ? -14.154 10.067 3.242 1.00 69.29 102 A 1 ATOM 827 C CB . PHE A 1 102 ? -12.855 12.849 3.058 1.00 73.38 102 A 1 ATOM 828 C CG . PHE A 1 102 ? -11.790 13.856 2.645 1.00 70.26 102 A 1 ATOM 829 C CD1 . PHE A 1 102 ? -11.272 14.768 3.582 1.00 67.01 102 A 1 ATOM 830 C CD2 . PHE A 1 102 ? -11.302 13.868 1.326 1.00 67.95 102 A 1 ATOM 831 C CE1 . PHE A 1 102 ? -10.277 15.691 3.202 1.00 61.62 102 A 1 ATOM 832 C CE2 . PHE A 1 102 ? -10.302 14.787 0.947 1.00 62.35 102 A 1 ATOM 833 C CZ . PHE A 1 102 ? -9.791 15.699 1.885 1.00 61.83 102 A 1 ATOM 834 N N . GLU A 1 103 ? -13.516 10.336 5.389 1.00 76.49 103 A 1 ATOM 835 C CA . GLU A 1 103 ? -14.710 9.702 5.951 1.00 74.88 103 A 1 ATOM 836 C C . GLU A 1 103 ? -15.883 10.698 5.868 1.00 71.02 103 A 1 ATOM 837 O O . GLU A 1 103 ? -15.723 11.874 6.209 1.00 65.19 103 A 1 ATOM 838 C CB . GLU A 1 103 ? -14.464 9.208 7.389 1.00 71.70 103 A 1 ATOM 839 C CG . GLU A 1 103 ? -13.472 8.028 7.432 1.00 64.68 103 A 1 ATOM 840 C CD . GLU A 1 103 ? -13.353 7.352 8.814 1.00 61.52 103 A 1 ATOM 841 O OE1 . GLU A 1 103 ? -13.050 6.133 8.829 1.00 57.74 103 A 1 ATOM 842 O OE2 . GLU A 1 103 ? -13.587 8.023 9.843 1.00 58.73 103 A 1 ATOM 843 N N . GLU A 1 104 ? -17.017 10.229 5.332 1.00 70.48 104 A 1 ATOM 844 C CA . GLU A 1 104 ? -18.295 10.958 5.368 1.00 68.28 104 A 1 ATOM 845 C C . GLU A 1 104 ? -18.948 10.882 6.756 1.00 62.42 104 A 1 ATOM 846 O O . GLU A 1 104 ? -18.873 9.809 7.395 1.00 56.18 104 A 1 ATOM 847 C CB . GLU A 1 104 ? -19.270 10.444 4.287 1.00 62.06 104 A 1 ATOM 848 C CG . GLU A 1 104 ? -18.872 10.799 2.835 1.00 54.24 104 A 1 ATOM 849 C CD . GLU A 1 104 ? -19.963 10.466 1.781 1.00 50.88 104 A 1 ATOM 850 O OE1 . GLU A 1 104 ? -19.872 11.009 0.653 1.00 48.12 104 A 1 ATOM 851 O OE2 . GLU A 1 104 ? -20.907 9.690 2.077 1.00 49.44 104 A 1 ATOM 852 O OXT . GLU A 1 104 ? -19.534 11.911 7.155 1.00 54.67 104 A 1 #