# 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_acrvia3_plus # _entry.id acrvia3_plus # 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" "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 PHE 2 1 n LYS 3 1 n GLU 4 1 n PHE 5 1 n LEU 6 1 n GLU 7 1 n LYS 8 1 n CYS 9 1 n LEU 10 1 n ARG 11 1 n TYR 12 1 n GLY 13 1 n ASN 14 1 n LEU 15 1 n TYR 16 1 n ILE 17 1 n LEU 18 1 n GLU 19 1 n GLU 20 1 n THR 21 1 n GLY 22 1 n ASP 23 1 n ARG 24 1 n LYS 25 1 n LYS 26 1 n VAL 27 1 n LYS 28 1 n ARG 29 1 n ILE 30 1 n SER 31 1 n LYS 32 1 n ARG 33 1 n HIS 34 1 n GLY 35 1 n LYS 36 1 n VAL 37 1 n THR 38 1 n GLU 39 1 n ALA 40 1 n SER 41 1 n VAL 42 1 n LEU 43 1 n LEU 44 1 n PHE 45 1 n ASP 46 1 n SER 47 1 n GLY 48 1 n THR 49 1 n LYS 50 1 n ARG 51 1 n THR 52 1 n THR 53 1 n ILE 54 1 n ASN 55 1 n GLU 56 1 n ILE 57 1 n TYR 58 1 n LEU 59 1 n ASN 60 1 n SER 61 1 n GLN 62 1 n GLY 63 1 n TYR 64 1 n PHE 65 1 n ILE 66 1 n ILE 67 1 n ARG 68 1 n ASP 69 1 n GLN 70 1 n LYS 71 1 n ARG 72 1 n LEU 73 1 n LYS 74 1 n LEU 75 1 n GLU 76 1 n LYS 77 1 n PHE 78 1 n LYS 79 # _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 01:01:04)" _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 92.42 _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 81.06 1 1 A PHE 2 2 88.26 1 2 A LYS 3 2 83.38 1 3 A GLU 4 2 87.66 1 4 A PHE 5 2 93.11 1 5 A LEU 6 2 93.84 1 6 A GLU 7 2 88.72 1 7 A LYS 8 2 89.91 1 8 A CYS 9 2 95.21 1 9 A LEU 10 2 94.49 1 10 A ARG 11 2 85.27 1 11 A TYR 12 2 93.11 1 12 A GLY 13 2 95.27 1 13 A ASN 14 2 91.77 1 14 A LEU 15 2 96.38 1 15 A TYR 16 2 96.44 1 16 A ILE 17 2 97.21 1 17 A LEU 18 2 96.56 1 18 A GLU 19 2 92.83 1 19 A GLU 20 2 94.68 1 20 A THR 21 2 96.17 1 21 A GLY 22 2 97.81 1 22 A ASP 23 2 96.27 1 23 A ARG 24 2 93.13 1 24 A LYS 25 2 90.55 1 25 A LYS 26 2 92.83 1 26 A VAL 27 2 96.51 1 27 A LYS 28 2 91.92 1 28 A ARG 29 2 93.52 1 29 A ILE 30 2 93.82 1 30 A SER 31 2 93.86 1 31 A LYS 32 2 85.68 1 32 A ARG 33 2 79.95 1 33 A HIS 34 2 90.27 1 34 A GLY 35 2 94.14 1 35 A LYS 36 2 93.67 1 36 A VAL 37 2 97.50 1 37 A THR 38 2 97.39 1 38 A GLU 39 2 93.85 1 39 A ALA 40 2 98.22 1 40 A SER 41 2 97.10 1 41 A VAL 42 2 96.64 1 42 A LEU 43 2 96.78 1 43 A LEU 44 2 94.63 1 44 A PHE 45 2 96.61 1 45 A ASP 46 2 95.44 1 46 A SER 47 2 95.34 1 47 A GLY 48 2 95.75 1 48 A THR 49 2 94.99 1 49 A LYS 50 2 90.10 1 50 A ARG 51 2 82.71 1 51 A THR 52 2 94.84 1 52 A THR 53 2 95.84 1 53 A ILE 54 2 96.65 1 54 A ASN 55 2 94.70 1 55 A GLU 56 2 95.26 1 56 A ILE 57 2 98.08 1 57 A TYR 58 2 96.88 1 58 A LEU 59 2 96.08 1 59 A ASN 60 2 91.82 1 60 A SER 61 2 92.46 1 61 A GLN 62 2 86.64 1 62 A GLY 63 2 95.80 1 63 A TYR 64 2 96.80 1 64 A PHE 65 2 97.17 1 65 A ILE 66 2 97.24 1 66 A ILE 67 2 94.37 1 67 A ARG 68 2 86.05 1 68 A ASP 69 2 88.34 1 69 A GLN 70 2 86.95 1 70 A LYS 71 2 86.02 1 71 A ARG 72 2 88.79 1 72 A LEU 73 2 92.96 1 73 A LYS 74 2 89.59 1 74 A LEU 75 2 95.87 1 75 A GLU 76 2 86.38 1 76 A LYS 77 2 89.53 1 77 A PHE 78 2 94.87 1 78 A LYS 79 2 87.06 1 79 # _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 PHE . 2 A 2 A 3 1 n LYS . 3 A 3 A 4 1 n GLU . 4 A 4 A 5 1 n PHE . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n GLU . 7 A 7 A 8 1 n LYS . 8 A 8 A 9 1 n CYS . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n ARG . 11 A 11 A 12 1 n TYR . 12 A 12 A 13 1 n GLY . 13 A 13 A 14 1 n ASN . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n TYR . 16 A 16 A 17 1 n ILE . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n GLU . 19 A 19 A 20 1 n GLU . 20 A 20 A 21 1 n THR . 21 A 21 A 22 1 n GLY . 22 A 22 A 23 1 n ASP . 23 A 23 A 24 1 n ARG . 24 A 24 A 25 1 n LYS . 25 A 25 A 26 1 n LYS . 26 A 26 A 27 1 n VAL . 27 A 27 A 28 1 n LYS . 28 A 28 A 29 1 n ARG . 29 A 29 A 30 1 n ILE . 30 A 30 A 31 1 n SER . 31 A 31 A 32 1 n LYS . 32 A 32 A 33 1 n ARG . 33 A 33 A 34 1 n HIS . 34 A 34 A 35 1 n GLY . 35 A 35 A 36 1 n LYS . 36 A 36 A 37 1 n VAL . 37 A 37 A 38 1 n THR . 38 A 38 A 39 1 n GLU . 39 A 39 A 40 1 n ALA . 40 A 40 A 41 1 n SER . 41 A 41 A 42 1 n VAL . 42 A 42 A 43 1 n LEU . 43 A 43 A 44 1 n LEU . 44 A 44 A 45 1 n PHE . 45 A 45 A 46 1 n ASP . 46 A 46 A 47 1 n SER . 47 A 47 A 48 1 n GLY . 48 A 48 A 49 1 n THR . 49 A 49 A 50 1 n LYS . 50 A 50 A 51 1 n ARG . 51 A 51 A 52 1 n THR . 52 A 52 A 53 1 n THR . 53 A 53 A 54 1 n ILE . 54 A 54 A 55 1 n ASN . 55 A 55 A 56 1 n GLU . 56 A 56 A 57 1 n ILE . 57 A 57 A 58 1 n TYR . 58 A 58 A 59 1 n LEU . 59 A 59 A 60 1 n ASN . 60 A 60 A 61 1 n SER . 61 A 61 A 62 1 n GLN . 62 A 62 A 63 1 n GLY . 63 A 63 A 64 1 n TYR . 64 A 64 A 65 1 n PHE . 65 A 65 A 66 1 n ILE . 66 A 66 A 67 1 n ILE . 67 A 67 A 68 1 n ARG . 68 A 68 A 69 1 n ASP . 69 A 69 A 70 1 n GLN . 70 A 70 A 71 1 n LYS . 71 A 71 A 72 1 n ARG . 72 A 72 A 73 1 n LEU . 73 A 73 A 74 1 n LYS . 74 A 74 A 75 1 n LEU . 75 A 75 A 76 1 n GLU . 76 A 76 A 77 1 n LYS . 77 A 77 A 78 1 n PHE . 78 A 78 A 79 1 n LYS . 79 A 79 # _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 ? 9.205 -7.169 -21.077 1.00 85.66 1 A 1 ATOM 2 C CA . MET A 1 1 ? 10.071 -6.601 -20.018 1.00 91.55 1 A 1 ATOM 3 C C . MET A 1 1 ? 9.281 -5.993 -18.858 1.00 92.35 1 A 1 ATOM 4 O O . MET A 1 1 ? 9.153 -6.669 -17.851 1.00 90.21 1 A 1 ATOM 5 C CB . MET A 1 1 ? 11.177 -5.693 -20.565 1.00 84.91 1 A 1 ATOM 6 C CG . MET A 1 1 ? 12.079 -6.483 -21.521 1.00 72.98 1 A 1 ATOM 7 S SD . MET A 1 1 ? 13.562 -5.590 -22.026 1.00 69.42 1 A 1 ATOM 8 C CE . MET A 1 1 ? 14.654 -5.971 -20.646 1.00 61.41 1 A 1 ATOM 9 N N . PHE A 1 2 ? 8.694 -4.789 -18.931 1.00 90.35 2 A 1 ATOM 10 C CA . PHE A 1 2 ? 7.978 -4.214 -17.770 1.00 91.34 2 A 1 ATOM 11 C C . PHE A 1 2 ? 6.708 -4.991 -17.379 1.00 92.51 2 A 1 ATOM 12 O O . PHE A 1 2 ? 6.428 -5.168 -16.202 1.00 92.82 2 A 1 ATOM 13 C CB . PHE A 1 2 ? 7.659 -2.738 -18.031 1.00 90.11 2 A 1 ATOM 14 C CG . PHE A 1 2 ? 7.051 -2.009 -16.844 1.00 89.26 2 A 1 ATOM 15 C CD1 . PHE A 1 2 ? 5.793 -1.384 -16.959 1.00 86.01 2 A 1 ATOM 16 C CD2 . PHE A 1 2 ? 7.743 -1.938 -15.622 1.00 86.08 2 A 1 ATOM 17 C CE1 . PHE A 1 2 ? 5.243 -0.685 -15.871 1.00 83.32 2 A 1 ATOM 18 C CE2 . PHE A 1 2 ? 7.190 -1.248 -14.528 1.00 84.02 2 A 1 ATOM 19 C CZ . PHE A 1 2 ? 5.940 -0.618 -14.654 1.00 85.01 2 A 1 ATOM 20 N N . LYS A 1 3 ? 5.966 -5.517 -18.352 1.00 92.53 3 A 1 ATOM 21 C CA . LYS A 1 3 ? 4.777 -6.357 -18.105 1.00 92.11 3 A 1 ATOM 22 C C . LYS A 1 3 ? 5.112 -7.629 -17.308 1.00 93.58 3 A 1 ATOM 23 O O . LYS A 1 3 ? 4.435 -7.914 -16.329 1.00 93.68 3 A 1 ATOM 24 C CB . LYS A 1 3 ? 4.096 -6.677 -19.441 1.00 90.34 3 A 1 ATOM 25 C CG . LYS A 1 3 ? 2.744 -7.368 -19.241 1.00 80.01 3 A 1 ATOM 26 C CD . LYS A 1 3 ? 2.079 -7.707 -20.580 1.00 77.32 3 A 1 ATOM 27 C CE . LYS A 1 3 ? 0.792 -8.489 -20.318 1.00 69.77 3 A 1 ATOM 28 N NZ . LYS A 1 3 ? 0.206 -9.041 -21.566 1.00 61.10 3 A 1 ATOM 29 N N . GLU A 1 4 ? 6.184 -8.326 -17.679 1.00 92.78 4 A 1 ATOM 30 C CA . GLU A 1 4 ? 6.655 -9.533 -16.977 1.00 94.02 4 A 1 ATOM 31 C C . GLU A 1 4 ? 7.138 -9.223 -15.554 1.00 94.96 4 A 1 ATOM 32 O O . GLU A 1 4 ? 7.007 -10.044 -14.648 1.00 94.24 4 A 1 ATOM 33 C CB . GLU A 1 4 ? 7.839 -10.131 -17.750 1.00 93.54 4 A 1 ATOM 34 C CG . GLU A 1 4 ? 7.498 -10.625 -19.164 1.00 86.33 4 A 1 ATOM 35 C CD . GLU A 1 4 ? 8.730 -10.647 -20.078 1.00 82.47 4 A 1 ATOM 36 O OE1 . GLU A 1 4 ? 8.751 -11.447 -21.026 1.00 74.72 4 A 1 ATOM 37 O OE2 . GLU A 1 4 ? 9.598 -9.754 -19.888 1.00 75.90 4 A 1 ATOM 38 N N . PHE A 1 5 ? 7.696 -8.026 -15.334 1.00 94.96 5 A 1 ATOM 39 C CA . PHE A 1 5 ? 8.016 -7.551 -13.992 1.00 94.88 5 A 1 ATOM 40 C C . PHE A 1 5 ? 6.742 -7.348 -13.155 1.00 95.49 5 A 1 ATOM 41 O O . PHE A 1 5 ? 6.684 -7.827 -12.029 1.00 95.17 5 A 1 ATOM 42 C CB . PHE A 1 5 ? 8.859 -6.273 -14.092 1.00 94.43 5 A 1 ATOM 43 C CG . PHE A 1 5 ? 9.050 -5.583 -12.760 1.00 93.93 5 A 1 ATOM 44 C CD1 . PHE A 1 5 ? 8.278 -4.449 -12.435 1.00 92.28 5 A 1 ATOM 45 C CD2 . PHE A 1 5 ? 9.964 -6.094 -11.821 1.00 92.49 5 A 1 ATOM 46 C CE1 . PHE A 1 5 ? 8.430 -3.829 -11.185 1.00 90.05 5 A 1 ATOM 47 C CE2 . PHE A 1 5 ? 10.114 -5.475 -10.570 1.00 90.65 5 A 1 ATOM 48 C CZ . PHE A 1 5 ? 9.350 -4.339 -10.253 1.00 89.92 5 A 1 ATOM 49 N N . LEU A 1 6 ? 5.710 -6.712 -13.717 1.00 94.49 6 A 1 ATOM 50 C CA . LEU A 1 6 ? 4.437 -6.500 -13.016 1.00 94.57 6 A 1 ATOM 51 C C . LEU A 1 6 ? 3.731 -7.810 -12.640 1.00 94.81 6 A 1 ATOM 52 O O . LEU A 1 6 ? 3.055 -7.850 -11.619 1.00 94.99 6 A 1 ATOM 53 C CB . LEU A 1 6 ? 3.490 -5.636 -13.864 1.00 94.79 6 A 1 ATOM 54 C CG . LEU A 1 6 ? 3.914 -4.175 -14.073 1.00 93.95 6 A 1 ATOM 55 C CD1 . LEU A 1 6 ? 2.861 -3.476 -14.937 1.00 91.31 6 A 1 ATOM 56 C CD2 . LEU A 1 6 ? 4.053 -3.405 -12.761 1.00 91.83 6 A 1 ATOM 57 N N . GLU A 1 7 ? 3.898 -8.874 -13.427 1.00 94.57 7 A 1 ATOM 58 C CA . GLU A 1 7 ? 3.338 -10.203 -13.120 1.00 94.18 7 A 1 ATOM 59 C C . GLU A 1 7 ? 3.927 -10.823 -11.841 1.00 94.50 7 A 1 ATOM 60 O O . GLU A 1 7 ? 3.287 -11.659 -11.212 1.00 93.29 7 A 1 ATOM 61 C CB . GLU A 1 7 ? 3.547 -11.137 -14.326 1.00 93.48 7 A 1 ATOM 62 C CG . GLU A 1 7 ? 2.592 -10.784 -15.485 1.00 88.89 7 A 1 ATOM 63 C CD . GLU A 1 7 ? 2.902 -11.497 -16.816 1.00 84.11 7 A 1 ATOM 64 O OE1 . GLU A 1 7 ? 2.235 -11.127 -17.820 1.00 77.44 7 A 1 ATOM 65 O OE2 . GLU A 1 7 ? 3.801 -12.358 -16.845 1.00 77.98 7 A 1 ATOM 66 N N . LYS A 1 8 ? 5.119 -10.380 -11.428 1.00 94.52 8 A 1 ATOM 67 C CA . LYS A 1 8 ? 5.784 -10.807 -10.187 1.00 94.20 8 A 1 ATOM 68 C C . LYS A 1 8 ? 5.462 -9.910 -8.990 1.00 95.32 8 A 1 ATOM 69 O O . LYS A 1 8 ? 5.848 -10.232 -7.871 1.00 94.72 8 A 1 ATOM 70 C CB . LYS A 1 8 ? 7.300 -10.872 -10.417 1.00 93.78 8 A 1 ATOM 71 C CG . LYS A 1 8 ? 7.679 -11.859 -11.530 1.00 91.42 8 A 1 ATOM 72 C CD . LYS A 1 8 ? 9.190 -11.824 -11.784 1.00 87.29 8 A 1 ATOM 73 C CE . LYS A 1 8 ? 9.516 -12.751 -12.955 1.00 83.07 8 A 1 ATOM 74 N NZ . LYS A 1 8 ? 10.969 -12.766 -13.261 1.00 74.90 8 A 1 ATOM 75 N N . CYS A 1 9 ? 4.812 -8.773 -9.215 1.00 95.26 9 A 1 ATOM 76 C CA . CYS A 1 9 ? 4.471 -7.822 -8.165 1.00 95.42 9 A 1 ATOM 77 C C . CYS A 1 9 ? 3.141 -8.192 -7.500 1.00 95.75 9 A 1 ATOM 78 O O . CYS A 1 9 ? 2.204 -8.638 -8.160 1.00 95.01 9 A 1 ATOM 79 C CB . CYS A 1 9 ? 4.409 -6.405 -8.748 1.00 95.32 9 A 1 ATOM 80 S SG . CYS A 1 9 ? 6.052 -5.853 -9.286 1.00 94.49 9 A 1 ATOM 81 N N . LEU A 1 10 ? 3.026 -7.915 -6.206 1.00 95.95 10 A 1 ATOM 82 C CA . LEU A 1 10 ? 1.746 -7.967 -5.504 1.00 95.95 10 A 1 ATOM 83 C C . LEU A 1 10 ? 0.760 -6.972 -6.124 1.00 96.43 10 A 1 ATOM 84 O O . LEU A 1 10 ? 1.100 -5.811 -6.369 1.00 96.28 10 A 1 ATOM 85 C CB . LEU A 1 10 ? 1.947 -7.659 -4.016 1.00 96.14 10 A 1 ATOM 86 C CG . LEU A 1 10 ? 2.792 -8.676 -3.240 1.00 93.70 10 A 1 ATOM 87 C CD1 . LEU A 1 10 ? 2.942 -8.195 -1.796 1.00 90.54 10 A 1 ATOM 88 C CD2 . LEU A 1 10 ? 2.158 -10.065 -3.221 1.00 90.95 10 A 1 ATOM 89 N N . ARG A 1 11 ? -0.462 -7.436 -6.366 1.00 96.20 11 A 1 ATOM 90 C CA . ARG A 1 11 ? -1.468 -6.699 -7.134 1.00 96.20 11 A 1 ATOM 91 C C . ARG A 1 11 ? -2.817 -6.660 -6.430 1.00 96.31 11 A 1 ATOM 92 O O . ARG A 1 11 ? -3.288 -7.652 -5.889 1.00 95.23 11 A 1 ATOM 93 C CB . ARG A 1 11 ? -1.577 -7.333 -8.531 1.00 94.30 11 A 1 ATOM 94 C CG . ARG A 1 11 ? -2.584 -6.603 -9.425 1.00 91.14 11 A 1 ATOM 95 C CD . ARG A 1 11 ? -2.742 -7.311 -10.768 1.00 88.41 11 A 1 ATOM 96 N NE . ARG A 1 11 ? -3.791 -6.659 -11.569 1.00 78.33 11 A 1 ATOM 97 C CZ . ARG A 1 11 ? -4.278 -7.088 -12.718 1.00 72.23 11 A 1 ATOM 98 N NH1 . ARG A 1 11 ? -3.851 -8.184 -13.281 1.00 67.31 11 A 1 ATOM 99 N NH2 . ARG A 1 11 ? -5.211 -6.410 -13.325 1.00 62.34 11 A 1 ATOM 100 N N . TYR A 1 12 ? -3.497 -5.515 -6.539 1.00 95.96 12 A 1 ATOM 101 C CA . TYR A 1 12 ? -4.910 -5.373 -6.208 1.00 95.57 12 A 1 ATOM 102 C C . TYR A 1 12 ? -5.614 -4.479 -7.237 1.00 95.40 12 A 1 ATOM 103 O O . TYR A 1 12 ? -5.360 -3.274 -7.319 1.00 94.73 12 A 1 ATOM 104 C CB . TYR A 1 12 ? -5.056 -4.831 -4.784 1.00 95.39 12 A 1 ATOM 105 C CG . TYR A 1 12 ? -6.493 -4.618 -4.362 1.00 94.83 12 A 1 ATOM 106 C CD1 . TYR A 1 12 ? -7.001 -3.311 -4.221 1.00 92.42 12 A 1 ATOM 107 C CD2 . TYR A 1 12 ? -7.334 -5.726 -4.142 1.00 92.52 12 A 1 ATOM 108 C CE1 . TYR A 1 12 ? -8.343 -3.115 -3.848 1.00 90.48 12 A 1 ATOM 109 C CE2 . TYR A 1 12 ? -8.680 -5.535 -3.775 1.00 90.79 12 A 1 ATOM 110 C CZ . TYR A 1 12 ? -9.185 -4.228 -3.624 1.00 90.59 12 A 1 ATOM 111 O OH . TYR A 1 12 ? -10.485 -4.039 -3.262 1.00 88.61 12 A 1 ATOM 112 N N . GLY A 1 13 ? -6.490 -5.062 -8.051 1.00 95.66 13 A 1 ATOM 113 C CA . GLY A 1 13 ? -7.131 -4.366 -9.170 1.00 95.09 13 A 1 ATOM 114 C C . GLY A 1 13 ? -6.096 -3.827 -10.170 1.00 95.84 13 A 1 ATOM 115 O O . GLY A 1 13 ? -5.346 -4.607 -10.749 1.00 94.47 13 A 1 ATOM 116 N N . ASN A 1 14 ? -6.034 -2.514 -10.352 1.00 95.91 14 A 1 ATOM 117 C CA . ASN A 1 14 ? -5.065 -1.847 -11.231 1.00 96.01 14 A 1 ATOM 118 C C . ASN A 1 14 ? -3.776 -1.406 -10.517 1.00 96.86 14 A 1 ATOM 119 O O . ASN A 1 14 ? -2.902 -0.824 -11.154 1.00 96.31 14 A 1 ATOM 120 C CB . ASN A 1 14 ? -5.754 -0.660 -11.921 1.00 94.57 14 A 1 ATOM 121 C CG . ASN A 1 14 ? -6.850 -1.083 -12.888 1.00 90.76 14 A 1 ATOM 122 O OD1 . ASN A 1 14 ? -6.944 -2.221 -13.323 1.00 81.84 14 A 1 ATOM 123 N ND2 . ASN A 1 14 ? -7.723 -0.173 -13.246 1.00 81.93 14 A 1 ATOM 124 N N . LEU A 1 15 ? -3.664 -1.656 -9.222 1.00 96.84 15 A 1 ATOM 125 C CA . LEU A 1 15 ? -2.548 -1.214 -8.393 1.00 97.16 15 A 1 ATOM 126 C C . LEU A 1 15 ? -1.536 -2.342 -8.204 1.00 97.51 15 A 1 ATOM 127 O O . LEU A 1 15 ? -1.912 -3.458 -7.853 1.00 97.28 15 A 1 ATOM 128 C CB . LEU A 1 15 ? -3.065 -0.710 -7.039 1.00 97.01 15 A 1 ATOM 129 C CG . LEU A 1 15 ? -4.079 0.438 -7.114 1.00 96.00 15 A 1 ATOM 130 C CD1 . LEU A 1 15 ? -4.573 0.769 -5.707 1.00 94.68 15 A 1 ATOM 131 C CD2 . LEU A 1 15 ? -3.470 1.701 -7.725 1.00 94.59 15 A 1 ATOM 132 N N . TYR A 1 16 ? -0.256 -2.028 -8.367 1.00 97.66 16 A 1 ATOM 133 C CA . TYR A 1 16 ? 0.871 -2.935 -8.177 1.00 97.66 16 A 1 ATOM 134 C C . TYR A 1 16 ? 1.831 -2.338 -7.154 1.00 97.78 16 A 1 ATOM 135 O O . TYR A 1 16 ? 2.185 -1.163 -7.262 1.00 97.49 16 A 1 ATOM 136 C CB . TYR A 1 16 ? 1.580 -3.166 -9.514 1.00 97.49 16 A 1 ATOM 137 C CG . TYR A 1 16 ? 0.730 -3.829 -10.583 1.00 97.32 16 A 1 ATOM 138 C CD1 . TYR A 1 16 ? 0.894 -5.200 -10.865 1.00 95.84 16 A 1 ATOM 139 C CD2 . TYR A 1 16 ? -0.216 -3.073 -11.312 1.00 96.05 16 A 1 ATOM 140 C CE1 . TYR A 1 16 ? 0.136 -5.811 -11.879 1.00 94.99 16 A 1 ATOM 141 C CE2 . TYR A 1 16 ? -0.984 -3.686 -12.323 1.00 95.35 16 A 1 ATOM 142 C CZ . TYR A 1 16 ? -0.799 -5.054 -12.615 1.00 95.61 16 A 1 ATOM 143 O OH . TYR A 1 16 ? -1.517 -5.642 -13.609 1.00 94.08 16 A 1 ATOM 144 N N . ILE A 1 17 ? 2.263 -3.142 -6.182 1.00 97.72 17 A 1 ATOM 145 C CA . ILE A 1 17 ? 3.365 -2.774 -5.290 1.00 97.78 17 A 1 ATOM 146 C C . ILE A 1 17 ? 4.664 -3.097 -6.027 1.00 97.73 17 A 1 ATOM 147 O O . ILE A 1 17 ? 5.000 -4.263 -6.202 1.00 97.38 17 A 1 ATOM 148 C CB . ILE A 1 17 ? 3.255 -3.495 -3.930 1.00 97.74 17 A 1 ATOM 149 C CG1 . ILE A 1 17 ? 1.976 -3.045 -3.187 1.00 96.95 17 A 1 ATOM 150 C CG2 . ILE A 1 17 ? 4.505 -3.202 -3.079 1.00 97.07 17 A 1 ATOM 151 C CD1 . ILE A 1 17 ? 1.662 -3.842 -1.915 1.00 95.30 17 A 1 ATOM 152 N N . LEU A 1 18 ? 5.379 -2.070 -6.479 1.00 97.64 18 A 1 ATOM 153 C CA . LEU A 1 18 ? 6.670 -2.234 -7.159 1.00 97.34 18 A 1 ATOM 154 C C . LEU A 1 18 ? 7.804 -2.481 -6.168 1.00 97.15 18 A 1 ATOM 155 O O . LEU A 1 18 ? 8.713 -3.248 -6.457 1.00 96.37 18 A 1 ATOM 156 C CB . LEU A 1 18 ? 6.998 -0.987 -7.992 1.00 97.19 18 A 1 ATOM 157 C CG . LEU A 1 18 ? 5.965 -0.583 -9.056 1.00 96.40 18 A 1 ATOM 158 C CD1 . LEU A 1 18 ? 6.558 0.542 -9.902 1.00 95.24 18 A 1 ATOM 159 C CD2 . LEU A 1 18 ? 5.574 -1.734 -9.980 1.00 95.11 18 A 1 ATOM 160 N N . GLU A 1 19 ? 7.735 -1.814 -5.025 1.00 97.36 19 A 1 ATOM 161 C CA . GLU A 1 19 ? 8.757 -1.863 -3.987 1.00 97.13 19 A 1 ATOM 162 C C . GLU A 1 19 ? 8.140 -1.544 -2.631 1.00 97.46 19 A 1 ATOM 163 O O . GLU A 1 19 ? 7.206 -0.745 -2.524 1.00 97.18 19 A 1 ATOM 164 C CB . GLU A 1 19 ? 9.874 -0.863 -4.333 1.00 96.01 19 A 1 ATOM 165 C CG . GLU A 1 19 ? 11.076 -0.959 -3.387 1.00 91.93 19 A 1 ATOM 166 C CD . GLU A 1 19 ? 12.198 0.030 -3.749 1.00 91.20 19 A 1 ATOM 167 O OE1 . GLU A 1 19 ? 13.350 -0.253 -3.365 1.00 82.53 19 A 1 ATOM 168 O OE2 . GLU A 1 19 ? 11.887 1.081 -4.360 1.00 84.63 19 A 1 ATOM 169 N N . GLU A 1 20 ? 8.698 -2.152 -1.585 1.00 97.38 20 A 1 ATOM 170 C CA . GLU A 1 20 ? 8.477 -1.756 -0.200 1.00 97.46 20 A 1 ATOM 171 C C . GLU A 1 20 ? 9.816 -1.405 0.438 1.00 97.51 20 A 1 ATOM 172 O O . GLU A 1 20 ? 10.779 -2.159 0.344 1.00 96.68 20 A 1 ATOM 173 C CB . GLU A 1 20 ? 7.754 -2.866 0.556 1.00 96.95 20 A 1 ATOM 174 C CG . GLU A 1 20 ? 7.494 -2.451 2.009 1.00 94.62 20 A 1 ATOM 175 C CD . GLU A 1 20 ? 6.618 -3.455 2.745 1.00 94.04 20 A 1 ATOM 176 O OE1 . GLU A 1 20 ? 6.694 -3.533 3.996 1.00 88.08 20 A 1 ATOM 177 O OE2 . GLU A 1 20 ? 5.772 -4.115 2.107 1.00 89.36 20 A 1 ATOM 178 N N . THR A 1 21 ? 9.870 -0.266 1.106 1.00 97.92 21 A 1 ATOM 179 C CA . THR A 1 21 ? 11.067 0.231 1.789 1.00 97.95 21 A 1 ATOM 180 C C . THR A 1 21 ? 10.769 0.543 3.249 1.00 98.13 21 A 1 ATOM 181 O O . THR A 1 21 ? 9.626 0.836 3.619 1.00 97.43 21 A 1 ATOM 182 C CB . THR A 1 21 ? 11.643 1.471 1.092 1.00 97.35 21 A 1 ATOM 183 O OG1 . THR A 1 21 ? 10.682 2.496 1.010 1.00 92.81 21 A 1 ATOM 184 C CG2 . THR A 1 21 ? 12.112 1.174 -0.327 1.00 91.57 21 A 1 ATOM 185 N N . GLY A 1 22 ? 11.802 0.505 4.094 1.00 98.03 22 A 1 ATOM 186 C CA . GLY A 1 22 ? 11.709 0.790 5.527 1.00 97.83 22 A 1 ATOM 187 C C . GLY A 1 22 ? 11.233 -0.400 6.368 1.00 98.03 22 A 1 ATOM 188 O O . GLY A 1 22 ? 11.241 -1.543 5.923 1.00 97.37 22 A 1 ATOM 189 N N . ASP A 1 23 ? 10.853 -0.130 7.616 1.00 97.59 23 A 1 ATOM 190 C CA . ASP A 1 23 ? 10.477 -1.151 8.601 1.00 97.70 23 A 1 ATOM 191 C C . ASP A 1 23 ? 9.041 -0.929 9.103 1.00 97.69 23 A 1 ATOM 192 O O . ASP A 1 23 ? 8.728 0.054 9.788 1.00 96.98 23 A 1 ATOM 193 C CB . ASP A 1 23 ? 11.510 -1.171 9.741 1.00 97.23 23 A 1 ATOM 194 C CG . ASP A 1 23 ? 11.297 -2.309 10.755 1.00 96.16 23 A 1 ATOM 195 O OD1 . ASP A 1 23 ? 10.226 -2.964 10.722 1.00 93.79 23 A 1 ATOM 196 O OD2 . ASP A 1 23 ? 12.197 -2.499 11.604 1.00 92.99 23 A 1 ATOM 197 N N . ARG A 1 24 ? 8.154 -1.884 8.805 1.00 97.13 24 A 1 ATOM 198 C CA . ARG A 1 24 ? 6.756 -1.863 9.265 1.00 96.83 24 A 1 ATOM 199 C C . ARG A 1 24 ? 6.625 -1.934 10.789 1.00 97.08 24 A 1 ATOM 200 O O . ARG A 1 24 ? 5.617 -1.481 11.325 1.00 95.93 24 A 1 ATOM 201 C CB . ARG A 1 24 ? 5.982 -3.037 8.649 1.00 95.29 24 A 1 ATOM 202 C CG . ARG A 1 24 ? 5.769 -2.952 7.129 1.00 93.37 24 A 1 ATOM 203 C CD . ARG A 1 24 ? 4.909 -4.148 6.699 1.00 93.36 24 A 1 ATOM 204 N NE . ARG A 1 24 ? 4.669 -4.206 5.244 1.00 91.63 24 A 1 ATOM 205 C CZ . ARG A 1 24 ? 3.881 -5.066 4.617 1.00 92.02 24 A 1 ATOM 206 N NH1 . ARG A 1 24 ? 3.192 -5.970 5.241 1.00 87.35 24 A 1 ATOM 207 N NH2 . ARG A 1 24 ? 3.759 -5.048 3.328 1.00 84.44 24 A 1 ATOM 208 N N . LYS A 1 25 ? 7.602 -2.523 11.488 1.00 96.41 25 A 1 ATOM 209 C CA . LYS A 1 25 ? 7.544 -2.697 12.948 1.00 96.07 25 A 1 ATOM 210 C C . LYS A 1 25 ? 7.887 -1.407 13.690 1.00 96.65 25 A 1 ATOM 211 O O . LYS A 1 25 ? 7.447 -1.224 14.824 1.00 95.67 25 A 1 ATOM 212 C CB . LYS A 1 25 ? 8.477 -3.836 13.388 1.00 95.38 25 A 1 ATOM 213 C CG . LYS A 1 25 ? 8.089 -5.193 12.778 1.00 92.63 25 A 1 ATOM 214 C CD . LYS A 1 25 ? 9.069 -6.278 13.245 1.00 87.15 25 A 1 ATOM 215 C CE . LYS A 1 25 ? 8.698 -7.635 12.634 1.00 81.96 25 A 1 ATOM 216 N NZ . LYS A 1 25 ? 9.679 -8.687 13.003 1.00 73.05 25 A 1 ATOM 217 N N . LYS A 1 26 ? 8.619 -0.500 13.047 1.00 97.22 26 A 1 ATOM 218 C CA . LYS A 1 26 ? 8.981 0.793 13.624 1.00 97.54 26 A 1 ATOM 219 C C . LYS A 1 26 ? 7.924 1.846 13.318 1.00 97.88 26 A 1 ATOM 220 O O . LYS A 1 26 ? 7.477 2.006 12.187 1.00 97.52 26 A 1 ATOM 221 C CB . LYS A 1 26 ? 10.360 1.219 13.137 1.00 97.18 26 A 1 ATOM 222 C CG . LYS A 1 26 ? 11.463 0.293 13.673 1.00 94.40 26 A 1 ATOM 223 C CD . LYS A 1 26 ? 12.808 0.838 13.197 1.00 90.76 26 A 1 ATOM 224 C CE . LYS A 1 26 ? 13.973 -0.061 13.593 1.00 85.85 26 A 1 ATOM 225 N NZ . LYS A 1 26 ? 15.226 0.502 13.032 1.00 77.08 26 A 1 ATOM 226 N N . VAL A 1 27 ? 7.528 2.585 14.359 1.00 97.51 27 A 1 ATOM 227 C CA . VAL A 1 27 ? 6.550 3.674 14.252 1.00 97.42 27 A 1 ATOM 228 C C . VAL A 1 27 ? 7.292 5.001 14.283 1.00 97.37 27 A 1 ATOM 229 O O . VAL A 1 27 ? 7.915 5.327 15.287 1.00 96.54 27 A 1 ATOM 230 C CB . VAL A 1 27 ? 5.500 3.589 15.377 1.00 96.79 27 A 1 ATOM 231 C CG1 . VAL A 1 27 ? 4.505 4.758 15.319 1.00 95.04 27 A 1 ATOM 232 C CG2 . VAL A 1 27 ? 4.703 2.283 15.279 1.00 94.92 27 A 1 ATOM 233 N N . LYS A 1 28 ? 7.198 5.780 13.209 1.00 97.26 28 A 1 ATOM 234 C CA . LYS A 1 28 ? 7.843 7.105 13.130 1.00 96.58 28 A 1 ATOM 235 C C . LYS A 1 28 ? 6.983 8.243 13.695 1.00 97.41 28 A 1 ATOM 236 O O . LYS A 1 28 ? 7.509 9.258 14.129 1.00 96.56 28 A 1 ATOM 237 C CB . LYS A 1 28 ? 8.305 7.384 11.691 1.00 93.21 28 A 1 ATOM 238 C CG . LYS A 1 28 ? 7.168 7.560 10.672 1.00 91.35 28 A 1 ATOM 239 C CD . LYS A 1 28 ? 7.746 7.802 9.271 1.00 90.69 28 A 1 ATOM 240 C CE . LYS A 1 28 ? 6.606 8.039 8.283 1.00 84.54 28 A 1 ATOM 241 N NZ . LYS A 1 28 ? 7.089 8.133 6.883 1.00 79.64 28 A 1 ATOM 242 N N . ARG A 1 29 ? 5.658 8.100 13.657 1.00 97.83 29 A 1 ATOM 243 C CA . ARG A 1 29 ? 4.708 9.100 14.189 1.00 97.77 29 A 1 ATOM 244 C C . ARG A 1 29 ? 3.308 8.516 14.380 1.00 98.13 29 A 1 ATOM 245 O O . ARG A 1 29 ? 2.987 7.458 13.853 1.00 97.76 29 A 1 ATOM 246 C CB . ARG A 1 29 ? 4.678 10.356 13.280 1.00 96.91 29 A 1 ATOM 247 C CG . ARG A 1 29 ? 4.127 10.103 11.867 1.00 95.47 29 A 1 ATOM 248 C CD . ARG A 1 29 ? 4.254 11.346 10.980 1.00 94.44 29 A 1 ATOM 249 N NE . ARG A 1 29 ? 3.703 11.104 9.632 1.00 91.47 29 A 1 ATOM 250 C CZ . ARG A 1 29 ? 2.466 11.323 9.214 1.00 89.87 29 A 1 ATOM 251 N NH1 . ARG A 1 29 ? 1.536 11.809 9.991 1.00 83.18 29 A 1 ATOM 252 N NH2 . ARG A 1 29 ? 2.142 11.051 7.987 1.00 85.91 29 A 1 ATOM 253 N N . ILE A 1 30 ? 2.445 9.265 15.073 1.00 97.06 30 A 1 ATOM 254 C CA . ILE A 1 30 ? 1.020 8.941 15.224 1.00 96.82 30 A 1 ATOM 255 C C . ILE A 1 30 ? 0.195 9.974 14.452 1.00 96.66 30 A 1 ATOM 256 O O . ILE A 1 30 ? 0.305 11.176 14.675 1.00 95.33 30 A 1 ATOM 257 C CB . ILE A 1 30 ? 0.625 8.837 16.719 1.00 96.02 30 A 1 ATOM 258 C CG1 . ILE A 1 30 ? 1.460 7.734 17.417 1.00 93.06 30 A 1 ATOM 259 C CG2 . ILE A 1 30 ? -0.885 8.547 16.850 1.00 92.61 30 A 1 ATOM 260 C CD1 . ILE A 1 30 ? 1.222 7.607 18.924 1.00 82.99 30 A 1 ATOM 261 N N . SER A 1 31 ? -0.644 9.497 13.540 1.00 95.60 31 A 1 ATOM 262 C CA . SER A 1 31 ? -1.646 10.314 12.852 1.00 94.90 31 A 1 ATOM 263 C C . SER A 1 31 ? -2.947 10.281 13.646 1.00 94.94 31 A 1 ATOM 264 O O . SER A 1 31 ? -3.518 9.208 13.858 1.00 93.81 31 A 1 ATOM 265 C CB . SER A 1 31 ? -1.865 9.787 11.429 1.00 93.93 31 A 1 ATOM 266 O OG . SER A 1 31 ? -2.940 10.474 10.805 1.00 90.00 31 A 1 ATOM 267 N N . LYS A 1 32 ? -3.477 11.452 14.017 1.00 93.63 32 A 1 ATOM 268 C CA . LYS A 1 32 ? -4.782 11.559 14.707 1.00 93.27 32 A 1 ATOM 269 C C . LYS A 1 32 ? -5.923 10.893 13.917 1.00 93.08 32 A 1 ATOM 270 O O . LYS A 1 32 ? -6.830 10.325 14.509 1.00 90.09 32 A 1 ATOM 271 C CB . LYS A 1 32 ? -5.129 13.035 14.987 1.00 93.07 32 A 1 ATOM 272 C CG . LYS A 1 32 ? -4.209 13.704 16.024 1.00 85.94 32 A 1 ATOM 273 C CD . LYS A 1 32 ? -4.694 15.129 16.365 1.00 81.82 32 A 1 ATOM 274 C CE . LYS A 1 32 ? -3.799 15.783 17.427 1.00 74.82 32 A 1 ATOM 275 N NZ . LYS A 1 32 ? -4.258 17.146 17.814 1.00 65.43 32 A 1 ATOM 276 N N . ARG A 1 33 ? -5.855 10.933 12.574 1.00 92.76 33 A 1 ATOM 277 C CA . ARG A 1 33 ? -6.911 10.405 11.691 1.00 92.23 33 A 1 ATOM 278 C C . ARG A 1 33 ? -6.742 8.923 11.339 1.00 92.62 33 A 1 ATOM 279 O O . ARG A 1 33 ? -7.735 8.227 11.111 1.00 89.60 33 A 1 ATOM 280 C CB . ARG A 1 33 ? -6.966 11.291 10.433 1.00 90.35 33 A 1 ATOM 281 C CG . ARG A 1 33 ? -8.164 10.958 9.523 1.00 81.82 33 A 1 ATOM 282 C CD . ARG A 1 33 ? -8.235 11.928 8.337 1.00 80.19 33 A 1 ATOM 283 N NE . ARG A 1 33 ? -9.381 11.621 7.455 1.00 72.75 33 A 1 ATOM 284 C CZ . ARG A 1 33 ? -9.676 12.215 6.309 1.00 66.66 33 A 1 ATOM 285 N NH1 . ARG A 1 33 ? -8.939 13.170 5.815 1.00 63.36 33 A 1 ATOM 286 N NH2 . ARG A 1 33 ? -10.731 11.861 5.627 1.00 57.13 33 A 1 ATOM 287 N N . HIS A 1 34 ? -5.497 8.450 11.227 1.00 93.71 34 A 1 ATOM 288 C CA . HIS A 1 34 ? -5.204 7.152 10.605 1.00 93.40 34 A 1 ATOM 289 C C . HIS A 1 34 ? -4.494 6.152 11.524 1.00 93.21 34 A 1 ATOM 290 O O . HIS A 1 34 ? -4.414 4.983 11.169 1.00 90.24 34 A 1 ATOM 291 C CB . HIS A 1 34 ? -4.454 7.392 9.287 1.00 93.02 34 A 1 ATOM 292 C CG . HIS A 1 34 ? -5.269 8.193 8.294 1.00 92.74 34 A 1 ATOM 293 N ND1 . HIS A 1 34 ? -6.502 7.839 7.784 1.00 85.34 34 A 1 ATOM 294 C CD2 . HIS A 1 34 ? -4.955 9.419 7.762 1.00 86.10 34 A 1 ATOM 295 C CE1 . HIS A 1 34 ? -6.914 8.821 6.962 1.00 86.96 34 A 1 ATOM 296 N NE2 . HIS A 1 34 ? -6.003 9.808 6.923 1.00 88.02 34 A 1 ATOM 297 N N . GLY A 1 35 ? -4.055 6.555 12.707 1.00 93.73 35 A 1 ATOM 298 C CA . GLY A 1 35 ? -3.337 5.703 13.653 1.00 93.65 35 A 1 ATOM 299 C C . GLY A 1 35 ? -1.816 5.782 13.482 1.00 95.13 35 A 1 ATOM 300 O O . GLY A 1 35 ? -1.276 6.818 13.089 1.00 94.07 35 A 1 ATOM 301 N N . LYS A 1 36 ? -1.113 4.693 13.818 1.00 96.27 36 A 1 ATOM 302 C CA . LYS A 1 36 ? 0.354 4.631 13.757 1.00 97.26 36 A 1 ATOM 303 C C . LYS A 1 36 ? 0.825 4.716 12.302 1.00 97.78 36 A 1 ATOM 304 O O . LYS A 1 36 ? 0.313 3.991 11.455 1.00 97.46 36 A 1 ATOM 305 C CB . LYS A 1 36 ? 0.854 3.335 14.423 1.00 96.91 36 A 1 ATOM 306 C CG . LYS A 1 36 ? 0.535 3.268 15.932 1.00 95.07 36 A 1 ATOM 307 C CD . LYS A 1 36 ? 1.015 1.947 16.549 1.00 93.04 36 A 1 ATOM 308 C CE . LYS A 1 36 ? 0.700 1.901 18.051 1.00 88.41 36 A 1 ATOM 309 N NZ . LYS A 1 36 ? 1.148 0.634 18.687 1.00 80.87 36 A 1 ATOM 310 N N . VAL A 1 37 ? 1.802 5.570 12.035 1.00 97.86 37 A 1 ATOM 311 C CA . VAL A 1 37 ? 2.514 5.640 10.756 1.00 98.04 37 A 1 ATOM 312 C C . VAL A 1 37 ? 3.855 4.951 10.950 1.00 98.24 37 A 1 ATOM 313 O O . VAL A 1 37 ? 4.616 5.337 11.839 1.00 97.87 37 A 1 ATOM 314 C CB . VAL A 1 37 ? 2.716 7.088 10.281 1.00 97.63 37 A 1 ATOM 315 C CG1 . VAL A 1 37 ? 3.234 7.102 8.842 1.00 96.42 37 A 1 ATOM 316 C CG2 . VAL A 1 37 ? 1.414 7.897 10.334 1.00 96.41 37 A 1 ATOM 317 N N . THR A 1 38 ? 4.124 3.920 10.154 1.00 98.10 38 A 1 ATOM 318 C CA . THR A 1 38 ? 5.368 3.157 10.236 1.00 98.10 38 A 1 ATOM 319 C C . THR A 1 38 ? 6.501 3.867 9.483 1.00 98.11 38 A 1 ATOM 320 O O . THR A 1 38 ? 6.259 4.829 8.745 1.00 97.81 38 A 1 ATOM 321 C CB . THR A 1 38 ? 5.169 1.713 9.742 1.00 97.98 38 A 1 ATOM 322 O OG1 . THR A 1 38 ? 5.013 1.682 8.354 1.00 96.13 38 A 1 ATOM 323 C CG2 . THR A 1 38 ? 3.938 1.038 10.362 1.00 95.47 38 A 1 ATOM 324 N N . GLU A 1 39 ? 7.741 3.400 9.661 1.00 98.14 39 A 1 ATOM 325 C CA . GLU A 1 39 ? 8.861 3.856 8.820 1.00 98.03 39 A 1 ATOM 326 C C . GLU A 1 39 ? 8.752 3.329 7.383 1.00 98.12 39 A 1 ATOM 327 O O . GLU A 1 39 ? 9.323 3.921 6.470 1.00 97.38 39 A 1 ATOM 328 C CB . GLU A 1 39 ? 10.200 3.427 9.434 1.00 97.58 39 A 1 ATOM 329 C CG . GLU A 1 39 ? 10.501 4.191 10.731 1.00 93.50 39 A 1 ATOM 330 C CD . GLU A 1 39 ? 11.889 3.872 11.315 1.00 91.57 39 A 1 ATOM 331 O OE1 . GLU A 1 39 ? 12.269 4.581 12.275 1.00 84.38 39 A 1 ATOM 332 O OE2 . GLU A 1 39 ? 12.551 2.910 10.861 1.00 85.93 39 A 1 ATOM 333 N N . ALA A 1 40 ? 7.979 2.253 7.169 1.00 98.27 40 A 1 ATOM 334 C CA . ALA A 1 40 ? 7.819 1.642 5.863 1.00 98.27 40 A 1 ATOM 335 C C . ALA A 1 40 ? 6.900 2.452 4.931 1.00 98.42 40 A 1 ATOM 336 O O . ALA A 1 40 ? 5.937 3.107 5.344 1.00 98.22 40 A 1 ATOM 337 C CB . ALA A 1 40 ? 7.341 0.199 6.031 1.00 97.90 40 A 1 ATOM 338 N N . SER A 1 41 ? 7.202 2.354 3.638 1.00 98.33 41 A 1 ATOM 339 C CA . SER A 1 41 ? 6.402 2.917 2.547 1.00 98.29 41 A 1 ATOM 340 C C . SER A 1 41 ? 6.390 1.959 1.361 1.00 98.34 41 A 1 ATOM 341 O O . SER A 1 41 ? 7.329 1.187 1.182 1.00 97.78 41 A 1 ATOM 342 C CB . SER A 1 41 ? 6.961 4.273 2.110 1.00 97.71 41 A 1 ATOM 343 O OG . SER A 1 41 ? 6.923 5.194 3.188 1.00 92.15 41 A 1 ATOM 344 N N . VAL A 1 42 ? 5.355 2.025 0.531 1.00 98.25 42 A 1 ATOM 345 C CA . VAL A 1 42 ? 5.266 1.275 -0.725 1.00 98.10 42 A 1 ATOM 346 C C . VAL A 1 42 ? 5.300 2.218 -1.918 1.00 98.21 42 A 1 ATOM 347 O O . VAL A 1 42 ? 4.631 3.255 -1.916 1.00 97.70 42 A 1 ATOM 348 C CB . VAL A 1 42 ? 4.041 0.342 -0.792 1.00 97.09 42 A 1 ATOM 349 C CG1 . VAL A 1 42 ? 4.190 -0.816 0.190 1.00 93.58 42 A 1 ATOM 350 C CG2 . VAL A 1 42 ? 2.718 1.060 -0.517 1.00 93.56 42 A 1 ATOM 351 N N . LEU A 1 43 ? 6.057 1.833 -2.954 1.00 98.14 43 A 1 ATOM 352 C CA . LEU A 1 43 ? 5.963 2.421 -4.282 1.00 98.02 43 A 1 ATOM 353 C C . LEU A 1 43 ? 4.851 1.699 -5.046 1.00 98.03 43 A 1 ATOM 354 O O . LEU A 1 43 ? 4.966 0.519 -5.373 1.00 97.75 43 A 1 ATOM 355 C CB . LEU A 1 43 ? 7.327 2.330 -4.982 1.00 97.80 43 A 1 ATOM 356 C CG . LEU A 1 43 ? 7.351 2.951 -6.392 1.00 96.17 43 A 1 ATOM 357 C CD1 . LEU A 1 43 ? 7.057 4.449 -6.373 1.00 94.00 43 A 1 ATOM 358 C CD2 . LEU A 1 43 ? 8.728 2.742 -7.021 1.00 94.30 43 A 1 ATOM 359 N N . LEU A 1 44 ? 3.759 2.399 -5.312 1.00 97.76 44 A 1 ATOM 360 C CA . LEU A 1 44 ? 2.626 1.888 -6.074 1.00 97.56 44 A 1 ATOM 361 C C . LEU A 1 44 ? 2.695 2.344 -7.522 1.00 97.73 44 A 1 ATOM 362 O O . LEU A 1 44 ? 2.904 3.526 -7.788 1.00 97.26 44 A 1 ATOM 363 C CB . LEU A 1 44 ? 1.306 2.361 -5.457 1.00 96.45 44 A 1 ATOM 364 C CG . LEU A 1 44 ? 0.963 1.710 -4.118 1.00 92.33 44 A 1 ATOM 365 C CD1 . LEU A 1 44 ? -0.320 2.354 -3.606 1.00 88.70 44 A 1 ATOM 366 C CD2 . LEU A 1 44 ? 0.718 0.213 -4.247 1.00 89.24 44 A 1 ATOM 367 N N . PHE A 1 45 ? 2.410 1.422 -8.443 1.00 97.33 45 A 1 ATOM 368 C CA . PHE A 1 45 ? 2.107 1.723 -9.834 1.00 97.32 45 A 1 ATOM 369 C C . PHE A 1 45 ? 0.624 1.480 -10.113 1.00 97.32 45 A 1 ATOM 370 O O . PHE A 1 45 ? 0.085 0.425 -9.788 1.00 97.28 45 A 1 ATOM 371 C CB . PHE A 1 45 ? 2.996 0.877 -10.741 1.00 97.22 45 A 1 ATOM 372 C CG . PHE A 1 45 ? 2.682 1.019 -12.213 1.00 97.17 45 A 1 ATOM 373 C CD1 . PHE A 1 45 ? 2.120 -0.057 -12.924 1.00 96.07 45 A 1 ATOM 374 C CD2 . PHE A 1 45 ? 2.945 2.229 -12.878 1.00 96.36 45 A 1 ATOM 375 C CE1 . PHE A 1 45 ? 1.846 0.068 -14.293 1.00 95.58 45 A 1 ATOM 376 C CE2 . PHE A 1 45 ? 2.667 2.357 -14.247 1.00 95.50 45 A 1 ATOM 377 C CZ . PHE A 1 45 ? 2.124 1.272 -14.956 1.00 95.59 45 A 1 ATOM 378 N N . ASP A 1 46 ? -0.030 2.448 -10.731 1.00 97.22 46 A 1 ATOM 379 C CA . ASP A 1 46 ? -1.411 2.354 -11.199 1.00 97.09 46 A 1 ATOM 380 C C . ASP A 1 46 ? -1.416 2.111 -12.713 1.00 97.04 46 A 1 ATOM 381 O O . ASP A 1 46 ? -1.057 2.987 -13.504 1.00 96.42 46 A 1 ATOM 382 C CB . ASP A 1 46 ? -2.135 3.632 -10.784 1.00 96.48 46 A 1 ATOM 383 C CG . ASP A 1 46 ? -3.631 3.637 -11.086 1.00 95.55 46 A 1 ATOM 384 O OD1 . ASP A 1 46 ? -4.046 3.019 -12.093 1.00 92.53 46 A 1 ATOM 385 O OD2 . ASP A 1 46 ? -4.333 4.335 -10.317 1.00 91.18 46 A 1 ATOM 386 N N . SER A 1 47 ? -1.808 0.900 -13.128 1.00 96.60 47 A 1 ATOM 387 C CA . SER A 1 47 ? -1.800 0.504 -14.540 1.00 96.04 47 A 1 ATOM 388 C C . SER A 1 47 ? -2.858 1.216 -15.390 1.00 95.95 47 A 1 ATOM 389 O O . SER A 1 47 ? -2.718 1.248 -16.615 1.00 94.90 47 A 1 ATOM 390 C CB . SER A 1 47 ? -1.944 -1.015 -14.679 1.00 95.36 47 A 1 ATOM 391 O OG . SER A 1 47 ? -3.243 -1.442 -14.324 1.00 93.19 47 A 1 ATOM 392 N N . GLY A 1 48 ? -3.892 1.797 -14.770 1.00 96.18 48 A 1 ATOM 393 C CA . GLY A 1 48 ? -4.919 2.593 -15.446 1.00 95.77 48 A 1 ATOM 394 C C . GLY A 1 48 ? -4.421 3.992 -15.796 1.00 96.22 48 A 1 ATOM 395 O O . GLY A 1 48 ? -4.555 4.433 -16.932 1.00 94.84 48 A 1 ATOM 396 N N . THR A 1 49 ? -3.779 4.666 -14.830 1.00 96.26 49 A 1 ATOM 397 C CA . THR A 1 49 ? -3.272 6.038 -15.014 1.00 96.05 49 A 1 ATOM 398 C C . THR A 1 49 ? -1.808 6.106 -15.453 1.00 96.22 49 A 1 ATOM 399 O O . THR A 1 49 ? -1.343 7.182 -15.827 1.00 95.25 49 A 1 ATOM 400 C CB . THR A 1 49 ? -3.456 6.864 -13.738 1.00 95.40 49 A 1 ATOM 401 O OG1 . THR A 1 49 ? -2.718 6.306 -12.679 1.00 93.57 49 A 1 ATOM 402 C CG2 . THR A 1 49 ? -4.917 6.947 -13.297 1.00 92.15 49 A 1 ATOM 403 N N . LYS A 1 50 ? -1.073 4.986 -15.412 1.00 96.13 50 A 1 ATOM 404 C CA . LYS A 1 50 ? 0.374 4.884 -15.674 1.00 95.95 50 A 1 ATOM 405 C C . LYS A 1 50 ? 1.237 5.740 -14.732 1.00 96.32 50 A 1 ATOM 406 O O . LYS A 1 50 ? 2.336 6.138 -15.098 1.00 94.88 50 A 1 ATOM 407 C CB . LYS A 1 50 ? 0.696 5.139 -17.163 1.00 95.23 50 A 1 ATOM 408 C CG . LYS A 1 50 ? -0.104 4.278 -18.155 1.00 92.93 50 A 1 ATOM 409 C CD . LYS A 1 50 ? 0.143 2.781 -17.941 1.00 86.25 50 A 1 ATOM 410 C CE . LYS A 1 50 ? -0.601 1.980 -19.009 1.00 81.83 50 A 1 ATOM 411 N NZ . LYS A 1 50 ? -0.660 0.547 -18.653 1.00 71.42 50 A 1 ATOM 412 N N . ARG A 1 51 ? 0.742 6.015 -13.527 1.00 96.43 51 A 1 ATOM 413 C CA . ARG A 1 51 ? 1.440 6.830 -12.523 1.00 96.34 51 A 1 ATOM 414 C C . ARG A 1 51 ? 1.987 5.969 -11.397 1.00 96.90 51 A 1 ATOM 415 O O . ARG A 1 51 ? 1.378 4.971 -11.015 1.00 96.47 51 A 1 ATOM 416 C CB . ARG A 1 51 ? 0.508 7.925 -11.981 1.00 95.13 51 A 1 ATOM 417 C CG . ARG A 1 51 ? 0.206 8.985 -13.051 1.00 87.62 51 A 1 ATOM 418 C CD . ARG A 1 51 ? -0.737 10.057 -12.496 1.00 83.47 51 A 1 ATOM 419 N NE . ARG A 1 51 ? -1.051 11.074 -13.519 1.00 73.86 51 A 1 ATOM 420 C CZ . ARG A 1 51 ? -1.780 12.166 -13.347 1.00 66.49 51 A 1 ATOM 421 N NH1 . ARG A 1 51 ? -2.326 12.456 -12.198 1.00 61.14 51 A 1 ATOM 422 N NH2 . ARG A 1 51 ? -1.980 12.989 -14.337 1.00 55.94 51 A 1 ATOM 423 N N . THR A 1 52 ? 3.099 6.422 -10.829 1.00 97.03 52 A 1 ATOM 424 C CA . THR A 1 52 ? 3.658 5.888 -9.584 1.00 97.20 52 A 1 ATOM 425 C C . THR A 1 52 ? 3.431 6.861 -8.433 1.00 97.21 52 A 1 ATOM 426 O O . THR A 1 52 ? 3.419 8.078 -8.613 1.00 96.44 52 A 1 ATOM 427 C CB . THR A 1 52 ? 5.145 5.533 -9.711 1.00 96.73 52 A 1 ATOM 428 O OG1 . THR A 1 52 ? 5.859 6.632 -10.215 1.00 90.62 52 A 1 ATOM 429 C CG2 . THR A 1 52 ? 5.361 4.362 -10.664 1.00 88.68 52 A 1 ATOM 430 N N . THR A 1 53 ? 3.223 6.320 -7.233 1.00 97.27 53 A 1 ATOM 431 C CA . THR A 1 53 ? 3.072 7.110 -6.002 1.00 97.07 53 A 1 ATOM 432 C C . THR A 1 53 ? 3.719 6.383 -4.832 1.00 97.39 53 A 1 ATOM 433 O O . THR A 1 53 ? 3.517 5.181 -4.676 1.00 97.13 53 A 1 ATOM 434 C CB . THR A 1 53 ? 1.596 7.379 -5.647 1.00 96.22 53 A 1 ATOM 435 O OG1 . THR A 1 53 ? 0.854 6.175 -5.549 1.00 93.06 53 A 1 ATOM 436 C CG2 . THR A 1 53 ? 0.887 8.271 -6.661 1.00 92.71 53 A 1 ATOM 437 N N . ILE A 1 54 ? 4.425 7.117 -3.982 1.00 97.72 54 A 1 ATOM 438 C CA . ILE A 1 54 ? 4.915 6.596 -2.702 1.00 97.83 54 A 1 ATOM 439 C C . ILE A 1 54 ? 3.814 6.790 -1.658 1.00 97.75 54 A 1 ATOM 440 O O . ILE A 1 54 ? 3.271 7.887 -1.515 1.00 97.35 54 A 1 ATOM 441 C CB . ILE A 1 54 ? 6.251 7.256 -2.302 1.00 97.77 54 A 1 ATOM 442 C CG1 . ILE A 1 54 ? 7.330 6.950 -3.370 1.00 96.51 54 A 1 ATOM 443 C CG2 . ILE A 1 54 ? 6.701 6.754 -0.918 1.00 96.19 54 A 1 ATOM 444 C CD1 . ILE A 1 54 ? 8.642 7.712 -3.174 1.00 92.07 54 A 1 ATOM 445 N N . ASN A 1 55 ? 3.480 5.713 -0.938 1.00 98.05 55 A 1 ATOM 446 C CA . ASN A 1 55 ? 2.445 5.728 0.093 1.00 97.99 55 A 1 ATOM 447 C C . ASN A 1 55 ? 3.019 5.200 1.406 1.00 98.23 55 A 1 ATOM 448 O O . ASN A 1 55 ? 3.584 4.108 1.447 1.00 97.85 55 A 1 ATOM 449 C CB . ASN A 1 55 ? 1.223 4.910 -0.362 1.00 97.42 55 A 1 ATOM 450 C CG . ASN A 1 55 ? 0.533 5.518 -1.567 1.00 95.64 55 A 1 ATOM 451 O OD1 . ASN A 1 55 ? -0.432 6.253 -1.466 1.00 86.19 55 A 1 ATOM 452 N ND2 . ASN A 1 55 ? 1.013 5.241 -2.755 1.00 86.21 55 A 1 ATOM 453 N N . GLU A 1 56 ? 2.845 5.959 2.483 1.00 97.98 56 A 1 ATOM 454 C CA . GLU A 1 56 ? 3.210 5.522 3.828 1.00 97.95 56 A 1 ATOM 455 C C . GLU A 1 56 ? 2.352 4.325 4.253 1.00 98.11 56 A 1 ATOM 456 O O . GLU A 1 56 ? 1.150 4.275 3.964 1.00 97.74 56 A 1 ATOM 457 C CB . GLU A 1 56 ? 3.018 6.666 4.836 1.00 97.45 56 A 1 ATOM 458 C CG . GLU A 1 56 ? 3.921 7.881 4.568 1.00 95.52 56 A 1 ATOM 459 C CD . GLU A 1 56 ? 3.747 8.952 5.656 1.00 94.72 56 A 1 ATOM 460 O OE1 . GLU A 1 56 ? 4.772 9.384 6.235 1.00 88.56 56 A 1 ATOM 461 O OE2 . GLU A 1 56 ? 2.601 9.341 5.983 1.00 89.31 56 A 1 ATOM 462 N N . ILE A 1 57 ? 2.965 3.388 4.982 1.00 98.30 57 A 1 ATOM 463 C CA . ILE A 1 57 ? 2.240 2.271 5.591 1.00 98.45 57 A 1 ATOM 464 C C . ILE A 1 57 ? 1.776 2.687 6.987 1.00 98.41 57 A 1 ATOM 465 O O . ILE A 1 57 ? 2.562 3.100 7.838 1.00 98.21 57 A 1 ATOM 466 C CB . ILE A 1 57 ? 3.078 0.976 5.595 1.00 98.44 57 A 1 ATOM 467 C CG1 . ILE A 1 57 ? 3.431 0.568 4.145 1.00 97.92 57 A 1 ATOM 468 C CG2 . ILE A 1 57 ? 2.303 -0.154 6.304 1.00 97.99 57 A 1 ATOM 469 C CD1 . ILE A 1 57 ? 4.306 -0.686 4.038 1.00 96.92 57 A 1 ATOM 470 N N . TYR A 1 58 ? 0.487 2.536 7.217 1.00 98.24 58 A 1 ATOM 471 C CA . TYR A 1 58 ? -0.169 2.776 8.495 1.00 98.10 58 A 1 ATOM 472 C C . TYR A 1 58 ? -0.465 1.451 9.191 1.00 98.08 58 A 1 ATOM 473 O O . TYR A 1 58 ? -0.659 0.424 8.539 1.00 97.78 58 A 1 ATOM 474 C CB . TYR A 1 58 ? -1.458 3.581 8.285 1.00 97.83 58 A 1 ATOM 475 C CG . TYR A 1 58 ? -1.266 4.959 7.685 1.00 97.66 58 A 1 ATOM 476 C CD1 . TYR A 1 58 ? -1.301 6.100 8.511 1.00 96.48 58 A 1 ATOM 477 C CD2 . TYR A 1 58 ? -1.039 5.103 6.304 1.00 96.67 58 A 1 ATOM 478 C CE1 . TYR A 1 58 ? -1.084 7.379 7.962 1.00 95.54 58 A 1 ATOM 479 C CE2 . TYR A 1 58 ? -0.810 6.379 5.751 1.00 95.77 58 A 1 ATOM 480 C CZ . TYR A 1 58 ? -0.825 7.516 6.583 1.00 95.96 58 A 1 ATOM 481 O OH . TYR A 1 58 ? -0.567 8.745 6.056 1.00 94.44 58 A 1 ATOM 482 N N . LEU A 1 59 ? -0.582 1.502 10.519 1.00 97.59 59 A 1 ATOM 483 C CA . LEU A 1 59 ? -0.985 0.374 11.352 1.00 97.42 59 A 1 ATOM 484 C C . LEU A 1 59 ? -2.118 0.794 12.293 1.00 96.96 59 A 1 ATOM 485 O O . LEU A 1 59 ? -2.007 1.780 13.025 1.00 95.86 59 A 1 ATOM 486 C CB . LEU A 1 59 ? 0.244 -0.142 12.123 1.00 97.17 59 A 1 ATOM 487 C CG . LEU A 1 59 ? -0.053 -1.292 13.104 1.00 96.30 59 A 1 ATOM 488 C CD1 . LEU A 1 59 ? -0.539 -2.556 12.393 1.00 93.82 59 A 1 ATOM 489 C CD2 . LEU A 1 59 ? 1.213 -1.628 13.890 1.00 93.51 59 A 1 ATOM 490 N N . ASN A 1 60 ? -3.194 0.002 12.315 1.00 96.13 60 A 1 ATOM 491 C CA . ASN A 1 60 ? -4.260 0.095 13.313 1.00 94.75 60 A 1 ATOM 492 C C . ASN A 1 60 ? -4.684 -1.306 13.796 1.00 94.78 60 A 1 ATOM 493 O O . ASN A 1 60 ? -4.041 -2.301 13.474 1.00 93.40 60 A 1 ATOM 494 C CB . ASN A 1 60 ? -5.416 0.943 12.734 1.00 92.81 60 A 1 ATOM 495 C CG . ASN A 1 60 ? -6.210 0.260 11.631 1.00 90.78 60 A 1 ATOM 496 O OD1 . ASN A 1 60 ? -6.014 -0.888 11.288 1.00 85.88 60 A 1 ATOM 497 N ND2 . ASN A 1 60 ? -7.184 0.927 11.063 1.00 86.02 60 A 1 ATOM 498 N N . SER A 1 61 ? -5.789 -1.409 14.554 1.00 94.14 61 A 1 ATOM 499 C CA . SER A 1 61 ? -6.332 -2.688 15.046 1.00 93.84 61 A 1 ATOM 500 C C . SER A 1 61 ? -6.739 -3.669 13.936 1.00 94.08 61 A 1 ATOM 501 O O . SER A 1 61 ? -6.879 -4.859 14.195 1.00 91.92 61 A 1 ATOM 502 C CB . SER A 1 61 ? -7.548 -2.418 15.941 1.00 93.13 61 A 1 ATOM 503 O OG . SER A 1 61 ? -8.500 -1.619 15.260 1.00 87.64 61 A 1 ATOM 504 N N . GLN A 1 62 ? -6.918 -3.196 12.701 1.00 93.19 62 A 1 ATOM 505 C CA . GLN A 1 62 ? -7.277 -4.017 11.540 1.00 93.25 62 A 1 ATOM 506 C C . GLN A 1 62 ? -6.065 -4.411 10.680 1.00 94.24 62 A 1 ATOM 507 O O . GLN A 1 62 ? -6.253 -4.943 9.587 1.00 92.04 62 A 1 ATOM 508 C CB . GLN A 1 62 ? -8.321 -3.280 10.688 1.00 91.94 62 A 1 ATOM 509 C CG . GLN A 1 62 ? -9.607 -2.918 11.442 1.00 87.68 62 A 1 ATOM 510 C CD . GLN A 1 62 ? -10.624 -2.235 10.525 1.00 81.25 62 A 1 ATOM 511 O OE1 . GLN A 1 62 ? -10.304 -1.668 9.482 1.00 74.66 62 A 1 ATOM 512 N NE2 . GLN A 1 62 ? -11.891 -2.266 10.870 1.00 71.50 62 A 1 ATOM 513 N N . GLY A 1 63 ? -4.846 -4.121 11.126 1.00 94.92 63 A 1 ATOM 514 C CA . GLY A 1 63 ? -3.599 -4.443 10.436 1.00 95.51 63 A 1 ATOM 515 C C . GLY A 1 63 ? -3.006 -3.287 9.625 1.00 96.60 63 A 1 ATOM 516 O O . GLY A 1 63 ? -3.281 -2.106 9.876 1.00 96.17 63 A 1 ATOM 517 N N . TYR A 1 64 ? -2.147 -3.642 8.665 1.00 97.02 64 A 1 ATOM 518 C CA . TYR A 1 64 ? -1.419 -2.698 7.820 1.00 97.55 64 A 1 ATOM 519 C C . TYR A 1 64 ? -2.252 -2.235 6.621 1.00 97.69 64 A 1 ATOM 520 O O . TYR A 1 64 ? -2.882 -3.028 5.918 1.00 97.30 64 A 1 ATOM 521 C CB . TYR A 1 64 ? -0.097 -3.312 7.351 1.00 97.58 64 A 1 ATOM 522 C CG . TYR A 1 64 ? 0.881 -3.612 8.470 1.00 97.63 64 A 1 ATOM 523 C CD1 . TYR A 1 64 ? 1.571 -2.561 9.105 1.00 96.41 64 A 1 ATOM 524 C CD2 . TYR A 1 64 ? 1.107 -4.945 8.878 1.00 96.53 64 A 1 ATOM 525 C CE1 . TYR A 1 64 ? 2.484 -2.833 10.145 1.00 95.84 64 A 1 ATOM 526 C CE2 . TYR A 1 64 ? 2.018 -5.220 9.919 1.00 95.95 64 A 1 ATOM 527 C CZ . TYR A 1 64 ? 2.707 -4.162 10.553 1.00 96.63 64 A 1 ATOM 528 O OH . TYR A 1 64 ? 3.589 -4.426 11.560 1.00 95.44 64 A 1 ATOM 529 N N . PHE A 1 65 ? -2.201 -0.935 6.353 1.00 97.82 65 A 1 ATOM 530 C CA . PHE A 1 65 ? -2.898 -0.329 5.225 1.00 97.98 65 A 1 ATOM 531 C C . PHE A 1 65 ? -2.161 0.909 4.705 1.00 98.19 65 A 1 ATOM 532 O O . PHE A 1 65 ? -1.313 1.485 5.377 1.00 98.08 65 A 1 ATOM 533 C CB . PHE A 1 65 ? -4.344 0.008 5.626 1.00 97.75 65 A 1 ATOM 534 C CG . PHE A 1 65 ? -4.487 1.082 6.688 1.00 97.63 65 A 1 ATOM 535 C CD1 . PHE A 1 65 ? -4.361 0.752 8.050 1.00 96.83 65 A 1 ATOM 536 C CD2 . PHE A 1 65 ? -4.735 2.416 6.320 1.00 96.86 65 A 1 ATOM 537 C CE1 . PHE A 1 65 ? -4.469 1.747 9.032 1.00 95.78 65 A 1 ATOM 538 C CE2 . PHE A 1 65 ? -4.848 3.412 7.304 1.00 95.96 65 A 1 ATOM 539 C CZ . PHE A 1 65 ? -4.710 3.081 8.662 1.00 96.00 65 A 1 ATOM 540 N N . ILE A 1 66 ? -2.524 1.333 3.506 1.00 97.99 66 A 1 ATOM 541 C CA . ILE A 1 66 ? -2.119 2.605 2.907 1.00 97.88 66 A 1 ATOM 542 C C . ILE A 1 66 ? -3.347 3.499 2.723 1.00 97.72 66 A 1 ATOM 543 O O . ILE A 1 66 ? -4.491 3.030 2.771 1.00 97.30 66 A 1 ATOM 544 C CB . ILE A 1 66 ? -1.382 2.373 1.571 1.00 97.77 66 A 1 ATOM 545 C CG1 . ILE A 1 66 ? -2.280 1.595 0.581 1.00 97.05 66 A 1 ATOM 546 C CG2 . ILE A 1 66 ? -0.042 1.666 1.826 1.00 96.37 66 A 1 ATOM 547 C CD1 . ILE A 1 66 ? -1.712 1.496 -0.817 1.00 95.83 66 A 1 ATOM 548 N N . ILE A 1 67 ? -3.114 4.784 2.474 1.00 97.00 67 A 1 ATOM 549 C CA . ILE A 1 67 ? -4.170 5.721 2.068 1.00 96.16 67 A 1 ATOM 550 C C . ILE A 1 67 ? -4.085 5.925 0.556 1.00 94.97 67 A 1 ATOM 551 O O . ILE A 1 67 ? -3.059 6.357 0.038 1.00 93.34 67 A 1 ATOM 552 C CB . ILE A 1 67 ? -4.076 7.049 2.844 1.00 95.75 67 A 1 ATOM 553 C CG1 . ILE A 1 67 ? -4.110 6.852 4.380 1.00 94.33 67 A 1 ATOM 554 C CG2 . ILE A 1 67 ? -5.204 8.004 2.414 1.00 94.08 67 A 1 ATOM 555 C CD1 . ILE A 1 67 ? -5.339 6.123 4.928 1.00 89.30 67 A 1 ATOM 556 N N . ARG A 1 68 ? -5.168 5.613 -0.157 1.00 94.71 68 A 1 ATOM 557 C CA . ARG A 1 68 ? -5.325 5.838 -1.598 1.00 93.08 68 A 1 ATOM 558 C C . ARG A 1 68 ? -6.697 6.451 -1.847 1.00 92.28 68 A 1 ATOM 559 O O . ARG A 1 68 ? -7.691 5.946 -1.333 1.00 89.28 68 A 1 ATOM 560 C CB . ARG A 1 68 ? -5.138 4.502 -2.338 1.00 91.95 68 A 1 ATOM 561 C CG . ARG A 1 68 ? -5.238 4.609 -3.866 1.00 88.27 68 A 1 ATOM 562 C CD . ARG A 1 68 ? -4.109 5.451 -4.480 1.00 85.36 68 A 1 ATOM 563 N NE . ARG A 1 68 ? -4.256 5.537 -5.943 1.00 83.08 68 A 1 ATOM 564 C CZ . ARG A 1 68 ? -3.434 6.135 -6.784 1.00 80.03 68 A 1 ATOM 565 N NH1 . ARG A 1 68 ? -2.341 6.733 -6.386 1.00 73.75 68 A 1 ATOM 566 N NH2 . ARG A 1 68 ? -3.706 6.140 -8.053 1.00 74.75 68 A 1 ATOM 567 N N . ASP A 1 69 ? -6.742 7.564 -2.585 1.00 92.54 69 A 1 ATOM 568 C CA . ASP A 1 69 ? -7.977 8.298 -2.917 1.00 91.52 69 A 1 ATOM 569 C C . ASP A 1 69 ? -8.864 8.560 -1.680 1.00 92.23 69 A 1 ATOM 570 O O . ASP A 1 69 ? -10.069 8.304 -1.661 1.00 89.90 69 A 1 ATOM 571 C CB . ASP A 1 69 ? -8.695 7.613 -4.095 1.00 89.83 69 A 1 ATOM 572 C CG . ASP A 1 69 ? -7.749 7.400 -5.283 1.00 86.19 69 A 1 ATOM 573 O OD1 . ASP A 1 69 ? -6.869 8.268 -5.513 1.00 82.74 69 A 1 ATOM 574 O OD2 . ASP A 1 69 ? -7.822 6.314 -5.892 1.00 81.74 69 A 1 ATOM 575 N N . GLN A 1 70 ? -8.212 9.020 -0.601 1.00 92.81 70 A 1 ATOM 576 C CA . GLN A 1 70 ? -8.810 9.283 0.720 1.00 93.45 70 A 1 ATOM 577 C C . GLN A 1 70 ? -9.403 8.051 1.435 1.00 93.93 70 A 1 ATOM 578 O O . GLN A 1 70 ? -9.984 8.183 2.519 1.00 91.91 70 A 1 ATOM 579 C CB . GLN A 1 70 ? -9.817 10.441 0.650 1.00 92.76 70 A 1 ATOM 580 C CG . GLN A 1 70 ? -9.267 11.704 -0.041 1.00 88.20 70 A 1 ATOM 581 C CD . GLN A 1 70 ? -10.303 12.822 -0.070 1.00 81.83 70 A 1 ATOM 582 O OE1 . GLN A 1 70 ? -11.176 12.921 0.779 1.00 75.39 70 A 1 ATOM 583 N NE2 . GLN A 1 70 ? -10.242 13.714 -1.029 1.00 72.23 70 A 1 ATOM 584 N N . LYS A 1 71 ? -9.216 6.844 0.894 1.00 92.90 71 A 1 ATOM 585 C CA . LYS A 1 71 ? -9.693 5.576 1.453 1.00 93.12 71 A 1 ATOM 586 C C . LYS A 1 71 ? -8.535 4.754 2.011 1.00 94.73 71 A 1 ATOM 587 O O . LYS A 1 71 ? -7.401 4.828 1.543 1.00 94.08 71 A 1 ATOM 588 C CB . LYS A 1 71 ? -10.487 4.801 0.392 1.00 91.09 71 A 1 ATOM 589 C CG . LYS A 1 71 ? -11.780 5.539 -0.001 1.00 85.26 71 A 1 ATOM 590 C CD . LYS A 1 71 ? -12.536 4.803 -1.111 1.00 81.43 71 A 1 ATOM 591 C CE . LYS A 1 71 ? -13.755 5.632 -1.533 1.00 74.94 71 A 1 ATOM 592 N NZ . LYS A 1 71 ? -14.482 5.030 -2.680 1.00 66.66 71 A 1 ATOM 593 N N . ARG A 1 72 ? -8.841 3.937 3.020 1.00 95.27 72 A 1 ATOM 594 C CA . ARG A 1 72 ? -7.917 2.934 3.552 1.00 95.76 72 A 1 ATOM 595 C C . ARG A 1 72 ? -7.918 1.722 2.629 1.00 96.01 72 A 1 ATOM 596 O O . ARG A 1 72 ? -8.965 1.115 2.414 1.00 94.81 72 A 1 ATOM 597 C CB . ARG A 1 72 ? -8.312 2.532 4.980 1.00 94.82 72 A 1 ATOM 598 C CG . ARG A 1 72 ? -8.117 3.686 5.975 1.00 91.72 72 A 1 ATOM 599 C CD . ARG A 1 72 ? -8.560 3.268 7.380 1.00 90.24 72 A 1 ATOM 600 N NE . ARG A 1 72 ? -8.372 4.366 8.347 1.00 85.79 72 A 1 ATOM 601 C CZ . ARG A 1 72 ? -8.730 4.363 9.620 1.00 81.19 72 A 1 ATOM 602 N NH1 . ARG A 1 72 ? -9.325 3.346 10.175 1.00 77.39 72 A 1 ATOM 603 N NH2 . ARG A 1 72 ? -8.495 5.401 10.369 1.00 73.66 72 A 1 ATOM 604 N N . LEU A 1 73 ? -6.738 1.337 2.137 1.00 96.25 73 A 1 ATOM 605 C CA . LEU A 1 73 ? -6.538 0.125 1.359 1.00 96.41 73 A 1 ATOM 606 C C . LEU A 1 73 ? -5.606 -0.814 2.131 1.00 97.26 73 A 1 ATOM 607 O O . LEU A 1 73 ? -4.434 -0.508 2.333 1.00 96.80 73 A 1 ATOM 608 C CB . LEU A 1 73 ? -6.011 0.500 -0.035 1.00 95.36 73 A 1 ATOM 609 C CG . LEU A 1 73 ? -5.828 -0.706 -0.967 1.00 89.51 73 A 1 ATOM 610 C CD1 . LEU A 1 73 ? -7.146 -1.443 -1.205 1.00 85.43 73 A 1 ATOM 611 C CD2 . LEU A 1 73 ? -5.300 -0.220 -2.314 1.00 86.62 73 A 1 ATOM 612 N N . LYS A 1 74 ? -6.152 -1.944 2.602 1.00 96.65 74 A 1 ATOM 613 C CA . LYS A 1 74 ? -5.388 -2.930 3.376 1.00 96.62 74 A 1 ATOM 614 C C . LYS A 1 74 ? -4.348 -3.621 2.497 1.00 97.08 74 A 1 ATOM 615 O O . LYS A 1 74 ? -4.674 -4.038 1.388 1.00 96.68 74 A 1 ATOM 616 C CB . LYS A 1 74 ? -6.323 -3.977 3.983 1.00 95.60 74 A 1 ATOM 617 C CG . LYS A 1 74 ? -7.265 -3.443 5.075 1.00 90.51 74 A 1 ATOM 618 C CD . LYS A 1 74 ? -8.040 -4.659 5.591 1.00 85.65 74 A 1 ATOM 619 C CE . LYS A 1 74 ? -8.835 -4.475 6.871 1.00 78.68 74 A 1 ATOM 620 N NZ . LYS A 1 74 ? -9.179 -5.828 7.396 1.00 68.84 74 A 1 ATOM 621 N N . LEU A 1 75 ? -3.140 -3.792 3.024 1.00 96.72 75 A 1 ATOM 622 C CA . LEU A 1 75 ? -2.057 -4.456 2.292 1.00 96.81 75 A 1 ATOM 623 C C . LEU A 1 75 ? -2.320 -5.954 2.073 1.00 96.68 75 A 1 ATOM 624 O O . LEU A 1 75 ? -1.898 -6.488 1.060 1.00 95.87 75 A 1 ATOM 625 C CB . LEU A 1 75 ? -0.720 -4.229 3.013 1.00 96.89 75 A 1 ATOM 626 C CG . LEU A 1 75 ? -0.210 -2.775 2.957 1.00 96.07 75 A 1 ATOM 627 C CD1 . LEU A 1 75 ? 1.104 -2.678 3.727 1.00 94.01 75 A 1 ATOM 628 C CD2 . LEU A 1 75 ? 0.048 -2.287 1.533 1.00 93.92 75 A 1 ATOM 629 N N . GLU A 1 76 ? -3.098 -6.601 2.944 1.00 96.44 76 A 1 ATOM 630 C CA . GLU A 1 76 ? -3.515 -8.011 2.793 1.00 95.74 76 A 1 ATOM 631 C C . GLU A 1 76 ? -4.320 -8.299 1.509 1.00 96.16 76 A 1 ATOM 632 O O . GLU A 1 76 ? -4.474 -9.447 1.119 1.00 94.25 76 A 1 ATOM 633 C CB . GLU A 1 76 ? -4.325 -8.430 4.041 1.00 93.67 76 A 1 ATOM 634 C CG . GLU A 1 76 ? -5.752 -7.832 4.084 1.00 81.23 76 A 1 ATOM 635 C CD . GLU A 1 76 ? -6.500 -7.993 5.425 1.00 78.03 76 A 1 ATOM 636 O OE1 . GLU A 1 76 ? -7.680 -7.542 5.496 1.00 71.08 76 A 1 ATOM 637 O OE2 . GLU A 1 76 ? -5.898 -8.443 6.412 1.00 70.78 76 A 1 ATOM 638 N N . LYS A 1 77 ? -4.865 -7.262 0.850 1.00 95.74 77 A 1 ATOM 639 C CA . LYS A 1 77 ? -5.626 -7.395 -0.403 1.00 95.22 77 A 1 ATOM 640 C C . LYS A 1 77 ? -4.739 -7.562 -1.634 1.00 95.85 77 A 1 ATOM 641 O O . LYS A 1 77 ? -5.251 -7.972 -2.672 1.00 94.94 77 A 1 ATOM 642 C CB . LYS A 1 77 ? -6.550 -6.186 -0.591 1.00 94.41 77 A 1 ATOM 643 C CG . LYS A 1 77 ? -7.671 -6.149 0.451 1.00 90.73 77 A 1 ATOM 644 C CD . LYS A 1 77 ? -8.660 -5.035 0.099 1.00 86.08 77 A 1 ATOM 645 C CE . LYS A 1 77 ? -9.847 -5.082 1.060 1.00 80.88 77 A 1 ATOM 646 N NZ . LYS A 1 77 ? -10.924 -4.162 0.623 1.00 71.92 77 A 1 ATOM 647 N N . PHE A 1 78 ? -3.457 -7.204 -1.534 1.00 95.27 78 A 1 ATOM 648 C CA . PHE A 1 78 ? -2.500 -7.384 -2.617 1.00 95.23 78 A 1 ATOM 649 C C . PHE A 1 78 ? -2.039 -8.846 -2.647 1.00 94.70 78 A 1 ATOM 650 O O . PHE A 1 78 ? -1.561 -9.364 -1.642 1.00 91.78 78 A 1 ATOM 651 C CB . PHE A 1 78 ? -1.333 -6.408 -2.461 1.00 95.82 78 A 1 ATOM 652 C CG . PHE A 1 78 ? -1.696 -4.953 -2.701 1.00 96.54 78 A 1 ATOM 653 C CD1 . PHE A 1 78 ? -1.422 -4.354 -3.945 1.00 94.54 78 A 1 ATOM 654 C CD2 . PHE A 1 78 ? -2.291 -4.190 -1.679 1.00 95.02 78 A 1 ATOM 655 C CE1 . PHE A 1 78 ? -1.718 -3.000 -4.161 1.00 93.87 78 A 1 ATOM 656 C CE2 . PHE A 1 78 ? -2.597 -2.836 -1.898 1.00 94.50 78 A 1 ATOM 657 C CZ . PHE A 1 78 ? -2.301 -2.239 -3.137 1.00 96.33 78 A 1 ATOM 658 N N . LYS A 1 79 ? -2.220 -9.495 -3.799 1.00 95.73 79 A 1 ATOM 659 C CA . LYS A 1 79 ? -1.891 -10.902 -4.048 1.00 94.69 79 A 1 ATOM 660 C C . LYS A 1 79 ? -1.085 -11.027 -5.329 1.00 92.23 79 A 1 ATOM 661 O O . LYS A 1 79 ? -1.285 -10.194 -6.233 1.00 87.50 79 A 1 ATOM 662 C CB . LYS A 1 79 ? -3.167 -11.754 -4.137 1.00 92.38 79 A 1 ATOM 663 C CG . LYS A 1 79 ? -4.008 -11.730 -2.859 1.00 89.10 79 A 1 ATOM 664 C CD . LYS A 1 79 ? -5.189 -12.697 -2.987 1.00 84.96 79 A 1 ATOM 665 C CE . LYS A 1 79 ? -6.022 -12.668 -1.709 1.00 81.45 79 A 1 ATOM 666 N NZ . LYS A 1 79 ? -7.110 -13.678 -1.743 1.00 71.84 79 A 1 ATOM 667 O OXT . LYS A 1 79 ? -0.305 -12.017 -5.398 1.00 80.68 79 A 1 #