# 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_gnarl1 # _entry.id gnarl1 # loop_ _atom_type.symbol C N O S # loop_ _audit_author.name _audit_author.pdbx_ordinal "Google DeepMind" 1 "Isomorphic Labs" 2 # _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 # loop_ _chem_comp.formula _chem_comp.formula_weight _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_smiles _chem_comp.pdbx_synonyms _chem_comp.type "C3 H7 N O2" 89.093 ALA y ALANINE C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ? "L-PEPTIDE LINKING" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)N ? "L-PEPTIDE LINKING" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-PEPTIDE LINKING" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 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" "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 THR 2 1 n GLU 3 1 n GLN 4 1 n ASP 5 1 n GLN 6 1 n ARG 7 1 n LEU 8 1 n LYS 9 1 n GLN 10 1 n PHE 11 1 n ASP 12 1 n GLU 13 1 n LYS 14 1 n LEU 15 1 n ALA 16 1 n GLU 17 1 n LEU 18 1 n GLU 19 1 n LYS 20 1 n THR 21 1 n ILE 22 1 n LYS 23 1 n GLN 24 1 n VAL 25 1 n GLN 26 1 n GLU 27 1 n GLN 28 1 n ARG 29 1 n ARG 30 1 n GLU 31 1 n TYR 32 1 n ILE 33 1 n ASN 34 1 n ARG 35 1 n LYS 36 1 n GLY 37 1 n LEU 38 1 n ASN 39 1 n LYS 40 # _ma_data.content_type "model coordinates" _ma_data.id 1 _ma_data.name Model # _ma_model_list.data_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_group_name "AlphaFold-beta-20231127 (3.0.1 @ 2025-04-07 01:04:28)" _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 89.21 _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 76.01 1 1 A THR 2 2 89.51 1 2 A GLU 3 2 85.61 1 3 A GLN 4 2 87.68 1 4 A ASP 5 2 89.82 1 5 A GLN 6 2 87.19 1 6 A ARG 7 2 83.93 1 7 A LEU 8 2 93.76 1 8 A LYS 9 2 88.40 1 9 A GLN 10 2 92.75 1 10 A PHE 11 2 96.02 1 11 A ASP 12 2 95.80 1 12 A GLU 13 2 93.45 1 13 A LYS 14 2 90.82 1 14 A LEU 15 2 97.22 1 15 A ALA 16 2 98.62 1 16 A GLU 17 2 88.93 1 17 A LEU 18 2 96.89 1 18 A GLU 19 2 90.07 1 19 A LYS 20 2 91.66 1 20 A THR 21 2 98.04 1 21 A ILE 22 2 97.12 1 22 A LYS 23 2 91.14 1 23 A GLN 24 2 92.70 1 24 A VAL 25 2 98.18 1 25 A GLN 26 2 94.08 1 26 A GLU 27 2 88.09 1 27 A GLN 28 2 94.27 1 28 A ARG 29 2 90.11 1 29 A ARG 30 2 80.41 1 30 A GLU 31 2 86.73 1 31 A TYR 32 2 94.39 1 32 A ILE 33 2 94.37 1 33 A ASN 34 2 90.00 1 34 A ARG 35 2 80.86 1 35 A LYS 36 2 88.99 1 36 A GLY 37 2 90.05 1 37 A LEU 38 2 83.83 1 38 A ASN 39 2 72.46 1 39 A LYS 40 2 62.15 1 40 # _ma_software_group.group_id 1 _ma_software_group.ordinal_id 1 _ma_software_group.software_id 1 # _ma_target_entity.data_id 1 _ma_target_entity.entity_id 1 _ma_target_entity.origin . # _ma_target_entity_instance.asym_id A _ma_target_entity_instance.details . _ma_target_entity_instance.entity_id 1 # loop_ _pdbx_data_usage.details _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.url ;Non-commercial use only, by using this file you agree to the terms of use found at https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. To request access to the AlphaFold 3 model parameters, follow the process set out at https://github.com/google-deepmind/alphafold3. You may only use these if received directly from Google. Use is subject to terms of use available at https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. ; 1 license https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md ;AlphaFold 3 and its output are not intended for, have not been validated for, and are not approved for clinical use. They are provided "as-is" without any warranty of any kind, whether expressed or implied. No warranty is given that use shall not infringe the rights of any third party. ; 2 disclaimer ? # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.hetero _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.seq_id A 1 1 n MET . 1 A 1 A 2 1 n THR . 2 A 2 A 3 1 n GLU . 3 A 3 A 4 1 n GLN . 4 A 4 A 5 1 n ASP . 5 A 5 A 6 1 n GLN . 6 A 6 A 7 1 n ARG . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LYS . 9 A 9 A 10 1 n GLN . 10 A 10 A 11 1 n PHE . 11 A 11 A 12 1 n ASP . 12 A 12 A 13 1 n GLU . 13 A 13 A 14 1 n LYS . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n GLU . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n GLU . 19 A 19 A 20 1 n LYS . 20 A 20 A 21 1 n THR . 21 A 21 A 22 1 n ILE . 22 A 22 A 23 1 n LYS . 23 A 23 A 24 1 n GLN . 24 A 24 A 25 1 n VAL . 25 A 25 A 26 1 n GLN . 26 A 26 A 27 1 n GLU . 27 A 27 A 28 1 n GLN . 28 A 28 A 29 1 n ARG . 29 A 29 A 30 1 n ARG . 30 A 30 A 31 1 n GLU . 31 A 31 A 32 1 n TYR . 32 A 32 A 33 1 n ILE . 33 A 33 A 34 1 n ASN . 34 A 34 A 35 1 n ARG . 35 A 35 A 36 1 n LYS . 36 A 36 A 37 1 n GLY . 37 A 37 A 38 1 n LEU . 38 A 38 A 39 1 n ASN . 39 A 39 A 40 1 n LYS . 40 A 40 # _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 ? 2.968 9.546 26.954 1.00 80.89 1 A 1 ATOM 2 C CA . MET A 1 1 ? 3.597 9.450 25.620 1.00 85.74 1 A 1 ATOM 3 C C . MET A 1 1 ? 4.077 10.829 25.240 1.00 86.00 1 A 1 ATOM 4 O O . MET A 1 1 ? 3.377 11.795 25.531 1.00 82.44 1 A 1 ATOM 5 C CB . MET A 1 1 ? 2.631 8.931 24.555 1.00 78.89 1 A 1 ATOM 6 C CG . MET A 1 1 ? 2.291 7.457 24.760 1.00 70.20 1 A 1 ATOM 7 S SD . MET A 1 1 ? 1.110 6.837 23.536 1.00 65.26 1 A 1 ATOM 8 C CE . MET A 1 1 ? 0.855 5.166 24.162 1.00 58.67 1 A 1 ATOM 9 N N . THR A 1 2 ? 5.252 10.930 24.656 1.00 90.55 2 A 1 ATOM 10 C CA . THR A 1 2 ? 5.755 12.212 24.152 1.00 92.78 2 A 1 ATOM 11 C C . THR A 1 2 ? 5.004 12.595 22.874 1.00 93.14 2 A 1 ATOM 12 O O . THR A 1 2 ? 4.345 11.761 22.248 1.00 91.03 2 A 1 ATOM 13 C CB . THR A 1 2 ? 7.269 12.159 23.912 1.00 90.71 2 A 1 ATOM 14 O OG1 . THR A 1 2 ? 7.567 11.277 22.869 1.00 85.22 2 A 1 ATOM 15 C CG2 . THR A 1 2 ? 8.048 11.724 25.159 1.00 83.16 2 A 1 ATOM 16 N N . GLU A 1 3 ? 5.097 13.864 22.451 1.00 93.61 3 A 1 ATOM 17 C CA . GLU A 1 3 ? 4.537 14.290 21.161 1.00 94.71 3 A 1 ATOM 18 C C . GLU A 1 3 ? 5.126 13.474 19.993 1.00 95.42 3 A 1 ATOM 19 O O . GLU A 1 3 ? 4.432 13.144 19.032 1.00 93.80 3 A 1 ATOM 20 C CB . GLU A 1 3 ? 4.832 15.784 20.973 1.00 92.69 3 A 1 ATOM 21 C CG . GLU A 1 3 ? 4.087 16.359 19.764 1.00 81.74 3 A 1 ATOM 22 C CD . GLU A 1 3 ? 4.519 17.777 19.390 1.00 76.12 3 A 1 ATOM 23 O OE1 . GLU A 1 3 ? 4.203 18.174 18.240 1.00 69.60 3 A 1 ATOM 24 O OE2 . GLU A 1 3 ? 5.209 18.438 20.190 1.00 72.79 3 A 1 ATOM 25 N N . GLN A 1 4 ? 6.407 13.093 20.111 1.00 95.56 4 A 1 ATOM 26 C CA . GLN A 1 4 ? 7.094 12.256 19.127 1.00 95.83 4 A 1 ATOM 27 C C . GLN A 1 4 ? 6.464 10.862 19.039 1.00 96.20 4 A 1 ATOM 28 O O . GLN A 1 4 ? 6.202 10.392 17.931 1.00 94.94 4 A 1 ATOM 29 C CB . GLN A 1 4 ? 8.579 12.158 19.490 1.00 94.82 4 A 1 ATOM 30 C CG . GLN A 1 4 ? 9.291 13.514 19.343 1.00 86.97 4 A 1 ATOM 31 C CD . GLN A 1 4 ? 10.744 13.473 19.833 1.00 80.06 4 A 1 ATOM 32 O OE1 . GLN A 1 4 ? 11.195 12.555 20.488 1.00 73.25 4 A 1 ATOM 33 N NE2 . GLN A 1 4 ? 11.522 14.492 19.544 1.00 71.47 4 A 1 ATOM 34 N N . ASP A 1 5 ? 6.134 10.237 20.179 1.00 95.59 5 A 1 ATOM 35 C CA . ASP A 1 5 ? 5.468 8.930 20.206 1.00 95.84 5 A 1 ATOM 36 C C . ASP A 1 5 ? 4.083 8.988 19.546 1.00 96.36 5 A 1 ATOM 37 O O . ASP A 1 5 ? 3.686 8.072 18.822 1.00 95.64 5 A 1 ATOM 38 C CB . ASP A 1 5 ? 5.291 8.440 21.652 1.00 94.02 5 A 1 ATOM 39 C CG . ASP A 1 5 ? 6.591 8.292 22.439 1.00 84.54 5 A 1 ATOM 40 O OD1 . ASP A 1 5 ? 7.596 7.856 21.847 1.00 78.50 5 A 1 ATOM 41 O OD2 . ASP A 1 5 ? 6.560 8.654 23.640 1.00 78.06 5 A 1 ATOM 42 N N . GLN A 1 6 ? 3.336 10.074 19.767 1.00 97.09 6 A 1 ATOM 43 C CA . GLN A 1 6 ? 2.028 10.278 19.148 1.00 97.04 6 A 1 ATOM 44 C C . GLN A 1 6 ? 2.142 10.427 17.628 1.00 97.42 6 A 1 ATOM 45 O O . GLN A 1 6 ? 1.357 9.825 16.896 1.00 96.90 6 A 1 ATOM 46 C CB . GLN A 1 6 ? 1.343 11.513 19.741 1.00 96.13 6 A 1 ATOM 47 C CG . GLN A 1 6 ? 0.939 11.305 21.207 1.00 83.93 6 A 1 ATOM 48 C CD . GLN A 1 6 ? 0.251 12.539 21.799 1.00 77.68 6 A 1 ATOM 49 O OE1 . GLN A 1 6 ? 0.082 13.571 21.174 1.00 71.20 6 A 1 ATOM 50 N NE2 . GLN A 1 6 ? -0.185 12.474 23.036 1.00 67.29 6 A 1 ATOM 51 N N . ARG A 1 7 ? 3.128 11.180 17.143 1.00 96.62 7 A 1 ATOM 52 C CA . ARG A 1 7 ? 3.379 11.325 15.701 1.00 96.95 7 A 1 ATOM 53 C C . ARG A 1 7 ? 3.791 10.001 15.063 1.00 97.39 7 A 1 ATOM 54 O O . ARG A 1 7 ? 3.271 9.667 14.003 1.00 97.15 7 A 1 ATOM 55 C CB . ARG A 1 7 ? 4.439 12.398 15.445 1.00 96.09 7 A 1 ATOM 56 C CG . ARG A 1 7 ? 3.917 13.816 15.708 1.00 86.42 7 A 1 ATOM 57 C CD . ARG A 1 7 ? 5.019 14.819 15.363 1.00 81.57 7 A 1 ATOM 58 N NE . ARG A 1 7 ? 4.638 16.203 15.698 1.00 74.92 7 A 1 ATOM 59 C CZ . ARG A 1 7 ? 5.117 17.306 15.143 1.00 69.36 7 A 1 ATOM 60 N NH1 . ARG A 1 7 ? 5.947 17.268 14.137 1.00 64.17 7 A 1 ATOM 61 N NH2 . ARG A 1 7 ? 4.771 18.466 15.613 1.00 62.64 7 A 1 ATOM 62 N N . LEU A 1 8 ? 4.667 9.228 15.716 1.00 97.42 8 A 1 ATOM 63 C CA . LEU A 1 8 ? 5.057 7.899 15.239 1.00 97.45 8 A 1 ATOM 64 C C . LEU A 1 8 ? 3.835 6.990 15.092 1.00 97.61 8 A 1 ATOM 65 O O . LEU A 1 8 ? 3.639 6.412 14.026 1.00 97.62 8 A 1 ATOM 66 C CB . LEU A 1 8 ? 6.094 7.283 16.190 1.00 96.88 8 A 1 ATOM 67 C CG . LEU A 1 8 ? 7.501 7.892 16.054 1.00 88.94 8 A 1 ATOM 68 C CD1 . LEU A 1 8 ? 8.392 7.370 17.179 1.00 86.81 8 A 1 ATOM 69 C CD2 . LEU A 1 8 ? 8.159 7.540 14.719 1.00 87.33 8 A 1 ATOM 70 N N . LYS A 1 9 ? 2.954 6.959 16.100 1.00 97.35 9 A 1 ATOM 71 C CA . LYS A 1 9 ? 1.710 6.187 16.035 1.00 97.41 9 A 1 ATOM 72 C C . LYS A 1 9 ? 0.825 6.602 14.851 1.00 97.64 9 A 1 ATOM 73 O O . LYS A 1 9 ? 0.284 5.739 14.162 1.00 97.62 9 A 1 ATOM 74 C CB . LYS A 1 9 ? 0.976 6.317 17.371 1.00 97.03 9 A 1 ATOM 75 C CG . LYS A 1 9 ? -0.242 5.399 17.397 1.00 87.21 9 A 1 ATOM 76 C CD . LYS A 1 9 ? -0.999 5.507 18.721 1.00 83.32 9 A 1 ATOM 77 C CE . LYS A 1 9 ? -2.245 4.644 18.562 1.00 72.27 9 A 1 ATOM 78 N NZ . LYS A 1 9 ? -3.176 4.768 19.704 1.00 65.71 9 A 1 ATOM 79 N N . GLN A 1 10 ? 0.695 7.900 14.576 1.00 97.74 10 A 1 ATOM 80 C CA . GLN A 1 10 ? -0.062 8.393 13.417 1.00 97.71 10 A 1 ATOM 81 C C . GLN A 1 10 ? 0.558 7.934 12.090 1.00 97.84 10 A 1 ATOM 82 O O . GLN A 1 10 ? -0.172 7.609 11.151 1.00 97.66 10 A 1 ATOM 83 C CB . GLN A 1 10 ? -0.120 9.923 13.438 1.00 97.34 10 A 1 ATOM 84 C CG . GLN A 1 10 ? -1.043 10.462 14.537 1.00 91.81 10 A 1 ATOM 85 C CD . GLN A 1 10 ? -0.997 11.990 14.637 1.00 88.79 10 A 1 ATOM 86 O OE1 . GLN A 1 10 ? -0.278 12.690 13.939 1.00 84.21 10 A 1 ATOM 87 N NE2 . GLN A 1 10 ? -1.780 12.569 15.520 1.00 81.65 10 A 1 ATOM 88 N N . PHE A 1 11 ? 1.893 7.894 11.999 1.00 97.58 11 A 1 ATOM 89 C CA . PHE A 1 11 ? 2.560 7.357 10.815 1.00 97.66 11 A 1 ATOM 90 C C . PHE A 1 11 ? 2.316 5.858 10.660 1.00 97.97 11 A 1 ATOM 91 O O . PHE A 1 11 ? 2.016 5.428 9.550 1.00 97.92 11 A 1 ATOM 92 C CB . PHE A 1 11 ? 4.063 7.669 10.847 1.00 97.35 11 A 1 ATOM 93 C CG . PHE A 1 11 ? 4.419 9.133 10.670 1.00 96.61 11 A 1 ATOM 94 C CD1 . PHE A 1 11 ? 3.937 9.851 9.561 1.00 94.65 11 A 1 ATOM 95 C CD2 . PHE A 1 11 ? 5.256 9.778 11.598 1.00 94.96 11 A 1 ATOM 96 C CE1 . PHE A 1 11 ? 4.275 11.204 9.388 1.00 94.05 11 A 1 ATOM 97 C CE2 . PHE A 1 11 ? 5.597 11.128 11.429 1.00 93.78 11 A 1 ATOM 98 C CZ . PHE A 1 11 ? 5.102 11.843 10.324 1.00 93.74 11 A 1 ATOM 99 N N . ASP A 1 12 ? 2.359 5.082 11.740 1.00 97.92 12 A 1 ATOM 100 C CA . ASP A 1 12 ? 2.078 3.643 11.707 1.00 97.98 12 A 1 ATOM 101 C C . ASP A 1 12 ? 0.640 3.355 11.243 1.00 98.10 12 A 1 ATOM 102 O O . ASP A 1 12 ? 0.419 2.508 10.373 1.00 97.97 12 A 1 ATOM 103 C CB . ASP A 1 12 ? 2.322 3.034 13.095 1.00 97.59 12 A 1 ATOM 104 C CG . ASP A 1 12 ? 3.795 3.034 13.521 1.00 94.91 12 A 1 ATOM 105 O OD1 . ASP A 1 12 ? 4.671 2.999 12.629 1.00 91.01 12 A 1 ATOM 106 O OD2 . ASP A 1 12 ? 4.031 3.044 14.752 1.00 90.89 12 A 1 ATOM 107 N N . GLU A 1 13 ? -0.340 4.103 11.745 1.00 98.42 13 A 1 ATOM 108 C CA . GLU A 1 13 ? -1.742 4.002 11.316 1.00 98.41 13 A 1 ATOM 109 C C . GLU A 1 13 ? -1.897 4.327 9.819 1.00 98.45 13 A 1 ATOM 110 O O . GLU A 1 13 ? -2.558 3.594 9.074 1.00 98.20 13 A 1 ATOM 111 C CB . GLU A 1 13 ? -2.615 4.937 12.174 1.00 98.19 13 A 1 ATOM 112 C CG . GLU A 1 13 ? -2.802 4.412 13.608 1.00 91.96 13 A 1 ATOM 113 C CD . GLU A 1 13 ? -3.526 5.387 14.566 1.00 86.86 13 A 1 ATOM 114 O OE1 . GLU A 1 13 ? -3.720 5.007 15.748 1.00 85.06 13 A 1 ATOM 115 O OE2 . GLU A 1 13 ? -3.870 6.515 14.155 1.00 85.51 13 A 1 ATOM 116 N N . LYS A 1 14 ? -1.224 5.378 9.349 1.00 98.44 14 A 1 ATOM 117 C CA . LYS A 1 14 ? -1.229 5.756 7.932 1.00 98.49 14 A 1 ATOM 118 C C . LYS A 1 14 ? -0.539 4.714 7.051 1.00 98.59 14 A 1 ATOM 119 O O . LYS A 1 14 ? -1.018 4.434 5.951 1.00 98.51 14 A 1 ATOM 120 C CB . LYS A 1 14 ? -0.595 7.145 7.786 1.00 98.34 14 A 1 ATOM 121 C CG . LYS A 1 14 ? -0.745 7.686 6.363 1.00 89.34 14 A 1 ATOM 122 C CD . LYS A 1 14 ? -0.241 9.128 6.296 1.00 86.93 14 A 1 ATOM 123 C CE . LYS A 1 14 ? -0.452 9.674 4.884 1.00 77.27 14 A 1 ATOM 124 N NZ . LYS A 1 14 ? -0.050 11.096 4.793 1.00 71.43 14 A 1 ATOM 125 N N . LEU A 1 15 ? 0.559 4.116 7.515 1.00 98.59 15 A 1 ATOM 126 C CA . LEU A 1 15 ? 1.240 3.030 6.807 1.00 98.56 15 A 1 ATOM 127 C C . LEU A 1 15 ? 0.329 1.812 6.659 1.00 98.58 15 A 1 ATOM 128 O O . LEU A 1 15 ? 0.217 1.287 5.553 1.00 98.50 15 A 1 ATOM 129 C CB . LEU A 1 15 ? 2.542 2.660 7.533 1.00 98.32 15 A 1 ATOM 130 C CG . LEU A 1 15 ? 3.694 3.659 7.326 1.00 96.25 15 A 1 ATOM 131 C CD1 . LEU A 1 15 ? 4.841 3.322 8.276 1.00 94.50 15 A 1 ATOM 132 C CD2 . LEU A 1 15 ? 4.236 3.632 5.898 1.00 94.46 15 A 1 ATOM 133 N N . ALA A 1 16 ? -0.384 1.426 7.704 1.00 98.74 16 A 1 ATOM 134 C CA . ALA A 1 16 ? -1.334 0.313 7.647 1.00 98.68 16 A 1 ATOM 135 C C . ALA A 1 16 ? -2.468 0.560 6.627 1.00 98.71 16 A 1 ATOM 136 O O . ALA A 1 16 ? -2.845 -0.344 5.871 1.00 98.51 16 A 1 ATOM 137 C CB . ALA A 1 16 ? -1.879 0.085 9.061 1.00 98.46 16 A 1 ATOM 138 N N . GLU A 1 17 ? -2.983 1.785 6.544 1.00 98.70 17 A 1 ATOM 139 C CA . GLU A 1 17 ? -3.993 2.164 5.547 1.00 98.63 17 A 1 ATOM 140 C C . GLU A 1 17 ? -3.438 2.112 4.114 1.00 98.70 17 A 1 ATOM 141 O O . GLU A 1 17 ? -4.083 1.580 3.202 1.00 98.47 17 A 1 ATOM 142 C CB . GLU A 1 17 ? -4.526 3.562 5.886 1.00 98.30 17 A 1 ATOM 143 C CG . GLU A 1 17 ? -5.721 3.924 4.996 1.00 84.52 17 A 1 ATOM 144 C CD . GLU A 1 17 ? -6.289 5.325 5.258 1.00 77.05 17 A 1 ATOM 145 O OE1 . GLU A 1 17 ? -7.327 5.631 4.627 1.00 72.70 17 A 1 ATOM 146 O OE2 . GLU A 1 17 ? -5.687 6.090 6.040 1.00 73.26 17 A 1 ATOM 147 N N . LEU A 1 18 ? -2.216 2.605 3.911 1.00 98.70 18 A 1 ATOM 148 C CA . LEU A 1 18 ? -1.539 2.560 2.616 1.00 98.70 18 A 1 ATOM 149 C C . LEU A 1 18 ? -1.261 1.121 2.176 1.00 98.75 18 A 1 ATOM 150 O O . LEU A 1 18 ? -1.513 0.790 1.021 1.00 98.67 18 A 1 ATOM 151 C CB . LEU A 1 18 ? -0.235 3.372 2.677 1.00 98.53 18 A 1 ATOM 152 C CG . LEU A 1 18 ? -0.434 4.898 2.734 1.00 95.19 18 A 1 ATOM 153 C CD1 . LEU A 1 18 ? 0.915 5.578 2.971 1.00 92.63 18 A 1 ATOM 154 C CD2 . LEU A 1 18 ? -1.021 5.457 1.436 1.00 93.92 18 A 1 ATOM 155 N N . GLU A 1 19 ? -0.827 0.243 3.070 1.00 98.77 19 A 1 ATOM 156 C CA . GLU A 1 19 ? -0.620 -1.178 2.770 1.00 98.74 19 A 1 ATOM 157 C C . GLU A 1 19 ? -1.911 -1.867 2.313 1.00 98.75 19 A 1 ATOM 158 O O . GLU A 1 19 ? -1.909 -2.635 1.346 1.00 98.56 19 A 1 ATOM 159 C CB . GLU A 1 19 ? -0.094 -1.908 4.004 1.00 98.57 19 A 1 ATOM 160 C CG . GLU A 1 19 ? 1.388 -1.640 4.274 1.00 86.83 19 A 1 ATOM 161 C CD . GLU A 1 19 ? 1.918 -2.457 5.460 1.00 77.71 19 A 1 ATOM 162 O OE1 . GLU A 1 19 ? 3.119 -2.310 5.757 1.00 75.71 19 A 1 ATOM 163 O OE2 . GLU A 1 19 ? 1.145 -3.278 6.015 1.00 77.02 19 A 1 ATOM 164 N N . LYS A 1 20 ? -3.030 -1.569 2.970 1.00 98.75 20 A 1 ATOM 165 C CA . LYS A 1 20 ? -4.345 -2.078 2.565 1.00 98.71 20 A 1 ATOM 166 C C . LYS A 1 20 ? -4.711 -1.596 1.163 1.00 98.73 20 A 1 ATOM 167 O O . LYS A 1 20 ? -5.148 -2.397 0.330 1.00 98.53 20 A 1 ATOM 168 C CB . LYS A 1 20 ? -5.380 -1.653 3.610 1.00 98.52 20 A 1 ATOM 169 C CG . LYS A 1 20 ? -6.766 -2.240 3.310 1.00 90.71 20 A 1 ATOM 170 C CD . LYS A 1 20 ? -7.767 -1.758 4.362 1.00 88.41 20 A 1 ATOM 171 C CE . LYS A 1 20 ? -9.168 -2.277 4.040 1.00 79.20 20 A 1 ATOM 172 N NZ . LYS A 1 20 ? -10.171 -1.715 4.983 1.00 73.39 20 A 1 ATOM 173 N N . THR A 1 21 ? -4.493 -0.314 0.874 1.00 98.77 21 A 1 ATOM 174 C CA . THR A 1 21 ? -4.757 0.277 -0.444 1.00 98.77 21 A 1 ATOM 175 C C . THR A 1 21 ? -3.868 -0.340 -1.524 1.00 98.82 21 A 1 ATOM 176 O O . THR A 1 21 ? -4.364 -0.694 -2.594 1.00 98.69 21 A 1 ATOM 177 C CB . THR A 1 21 ? -4.563 1.799 -0.398 1.00 98.62 21 A 1 ATOM 178 O OG1 . THR A 1 21 ? -5.413 2.351 0.586 1.00 96.54 21 A 1 ATOM 179 C CG2 . THR A 1 21 ? -4.924 2.462 -1.727 1.00 96.04 21 A 1 ATOM 180 N N . ILE A 1 22 ? -2.584 -0.546 -1.250 1.00 98.76 22 A 1 ATOM 181 C CA . ILE A 1 22 ? -1.650 -1.208 -2.170 1.00 98.73 22 A 1 ATOM 182 C C . ILE A 1 22 ? -2.151 -2.611 -2.525 1.00 98.72 22 A 1 ATOM 183 O O . ILE A 1 22 ? -2.196 -2.951 -3.709 1.00 98.60 22 A 1 ATOM 184 C CB . ILE A 1 22 ? -0.224 -1.234 -1.571 1.00 98.60 22 A 1 ATOM 185 C CG1 . ILE A 1 22 ? 0.385 0.188 -1.585 1.00 95.76 22 A 1 ATOM 186 C CG2 . ILE A 1 22 ? 0.695 -2.204 -2.344 1.00 95.38 22 A 1 ATOM 187 C CD1 . ILE A 1 22 ? 1.629 0.331 -0.702 1.00 92.42 22 A 1 ATOM 188 N N . LYS A 1 23 ? -2.578 -3.408 -1.545 1.00 98.70 23 A 1 ATOM 189 C CA . LYS A 1 23 ? -3.125 -4.754 -1.787 1.00 98.64 23 A 1 ATOM 190 C C . LYS A 1 23 ? -4.347 -4.704 -2.708 1.00 98.63 23 A 1 ATOM 191 O O . LYS A 1 23 ? -4.393 -5.440 -3.692 1.00 98.37 23 A 1 ATOM 192 C CB . LYS A 1 23 ? -3.465 -5.439 -0.457 1.00 98.46 23 A 1 ATOM 193 C CG . LYS A 1 23 ? -2.198 -5.860 0.307 1.00 90.96 23 A 1 ATOM 194 C CD . LYS A 1 23 ? -2.542 -6.396 1.703 1.00 87.16 23 A 1 ATOM 195 C CE . LYS A 1 23 ? -1.244 -6.712 2.454 1.00 77.76 23 A 1 ATOM 196 N NZ . LYS A 1 23 ? -1.476 -7.082 3.876 1.00 71.56 23 A 1 ATOM 197 N N . GLN A 1 24 ? -5.279 -3.788 -2.470 1.00 98.72 24 A 1 ATOM 198 C CA . GLN A 1 24 ? -6.470 -3.618 -3.309 1.00 98.68 24 A 1 ATOM 199 C C . GLN A 1 24 ? -6.107 -3.248 -4.754 1.00 98.70 24 A 1 ATOM 200 O O . GLN A 1 24 ? -6.636 -3.835 -5.699 1.00 98.45 24 A 1 ATOM 201 C CB . GLN A 1 24 ? -7.371 -2.533 -2.708 1.00 98.51 24 A 1 ATOM 202 C CG . GLN A 1 24 ? -8.058 -3.003 -1.417 1.00 91.22 24 A 1 ATOM 203 C CD . GLN A 1 24 ? -8.880 -1.896 -0.754 1.00 86.18 24 A 1 ATOM 204 O OE1 . GLN A 1 24 ? -8.755 -0.715 -1.027 1.00 83.71 24 A 1 ATOM 205 N NE2 . GLN A 1 24 ? -9.767 -2.240 0.155 1.00 80.15 24 A 1 ATOM 206 N N . VAL A 1 25 ? -5.169 -2.324 -4.952 1.00 98.61 25 A 1 ATOM 207 C CA . VAL A 1 25 ? -4.719 -1.924 -6.295 1.00 98.57 25 A 1 ATOM 208 C C . VAL A 1 25 ? -3.978 -3.065 -6.999 1.00 98.50 25 A 1 ATOM 209 O O . VAL A 1 25 ? -4.145 -3.258 -8.204 1.00 98.30 25 A 1 ATOM 210 C CB . VAL A 1 25 ? -3.856 -0.649 -6.217 1.00 98.48 25 A 1 ATOM 211 C CG1 . VAL A 1 25 ? -3.250 -0.272 -7.573 1.00 97.51 25 A 1 ATOM 212 C CG2 . VAL A 1 25 ? -4.699 0.543 -5.753 1.00 97.32 25 A 1 ATOM 213 N N . GLN A 1 26 ? -3.200 -3.864 -6.277 1.00 98.12 26 A 1 ATOM 214 C CA . GLN A 1 26 ? -2.535 -5.050 -6.830 1.00 97.97 26 A 1 ATOM 215 C C . GLN A 1 26 ? -3.551 -6.096 -7.307 1.00 97.63 26 A 1 ATOM 216 O O . GLN A 1 26 ? -3.376 -6.649 -8.398 1.00 97.33 26 A 1 ATOM 217 C CB . GLN A 1 26 ? -1.602 -5.663 -5.784 1.00 97.92 26 A 1 ATOM 218 C CG . GLN A 1 26 ? -0.306 -4.852 -5.610 1.00 94.90 26 A 1 ATOM 219 C CD . GLN A 1 26 ? 0.589 -5.419 -4.502 1.00 91.34 26 A 1 ATOM 220 O OE1 . GLN A 1 26 ? 0.214 -6.274 -3.723 1.00 87.06 26 A 1 ATOM 221 N NE2 . GLN A 1 26 ? 1.824 -4.970 -4.411 1.00 84.42 26 A 1 ATOM 222 N N . GLU A 1 27 ? -4.613 -6.332 -6.552 1.00 97.92 27 A 1 ATOM 223 C CA . GLU A 1 27 ? -5.701 -7.233 -6.945 1.00 97.76 27 A 1 ATOM 224 C C . GLU A 1 27 ? -6.417 -6.727 -8.203 1.00 97.61 27 A 1 ATOM 225 O O . GLU A 1 27 ? -6.559 -7.476 -9.173 1.00 97.24 27 A 1 ATOM 226 C CB . GLU A 1 27 ? -6.689 -7.391 -5.790 1.00 97.56 27 A 1 ATOM 227 C CG . GLU A 1 27 ? -6.104 -8.258 -4.667 1.00 85.44 27 A 1 ATOM 228 C CD . GLU A 1 27 ? -6.988 -8.329 -3.414 1.00 74.47 27 A 1 ATOM 229 O OE1 . GLU A 1 27 ? -6.564 -9.025 -2.465 1.00 71.52 27 A 1 ATOM 230 O OE2 . GLU A 1 27 ? -8.066 -7.691 -3.394 1.00 73.30 27 A 1 ATOM 231 N N . GLN A 1 28 ? -6.757 -5.436 -8.258 1.00 97.57 28 A 1 ATOM 232 C CA . GLN A 1 28 ? -7.370 -4.809 -9.435 1.00 97.49 28 A 1 ATOM 233 C C . GLN A 1 28 ? -6.464 -4.903 -10.669 1.00 97.19 28 A 1 ATOM 234 O O . GLN A 1 28 ? -6.933 -5.232 -11.762 1.00 96.59 28 A 1 ATOM 235 C CB . GLN A 1 28 ? -7.663 -3.335 -9.141 1.00 97.52 28 A 1 ATOM 236 C CG . GLN A 1 28 ? -8.817 -3.148 -8.145 1.00 95.07 28 A 1 ATOM 237 C CD . GLN A 1 28 ? -9.015 -1.680 -7.766 1.00 91.62 28 A 1 ATOM 238 O OE1 . GLN A 1 28 ? -8.362 -0.773 -8.261 1.00 88.39 28 A 1 ATOM 239 N NE2 . GLN A 1 28 ? -9.933 -1.395 -6.871 1.00 86.95 28 A 1 ATOM 240 N N . ARG A 1 29 ? -5.159 -4.660 -10.509 1.00 96.78 29 A 1 ATOM 241 C CA . ARG A 1 29 ? -4.173 -4.817 -11.588 1.00 96.48 29 A 1 ATOM 242 C C . ARG A 1 29 ? -4.153 -6.250 -12.113 1.00 96.32 29 A 1 ATOM 243 O O . ARG A 1 29 ? -4.131 -6.454 -13.326 1.00 95.98 29 A 1 ATOM 244 C CB . ARG A 1 29 ? -2.785 -4.387 -11.090 1.00 95.94 29 A 1 ATOM 245 C CG . ARG A 1 29 ? -1.710 -4.544 -12.176 1.00 94.78 29 A 1 ATOM 246 C CD . ARG A 1 29 ? -0.329 -4.093 -11.671 1.00 92.13 29 A 1 ATOM 247 N NE . ARG A 1 29 ? 0.705 -4.264 -12.708 1.00 86.30 29 A 1 ATOM 248 C CZ . ARG A 1 29 ? 1.412 -5.368 -12.956 1.00 81.89 29 A 1 ATOM 249 N NH1 . ARG A 1 29 ? 1.256 -6.458 -12.258 1.00 77.72 29 A 1 ATOM 250 N NH2 . ARG A 1 29 ? 2.291 -5.379 -13.919 1.00 76.94 29 A 1 ATOM 251 N N . ARG A 1 30 ? -4.164 -7.244 -11.216 1.00 95.88 30 A 1 ATOM 252 C CA . ARG A 1 30 ? -4.153 -8.665 -11.584 1.00 95.56 30 A 1 ATOM 253 C C . ARG A 1 30 ? -5.423 -9.052 -12.333 1.00 95.52 30 A 1 ATOM 254 O O . ARG A 1 30 ? -5.332 -9.698 -13.374 1.00 95.21 30 A 1 ATOM 255 C CB . ARG A 1 30 ? -3.955 -9.509 -10.319 1.00 94.64 30 A 1 ATOM 256 C CG . ARG A 1 30 ? -3.637 -10.971 -10.662 1.00 84.28 30 A 1 ATOM 257 C CD . ARG A 1 30 ? -3.434 -11.769 -9.375 1.00 79.86 30 A 1 ATOM 258 N NE . ARG A 1 30 ? -2.820 -13.079 -9.637 1.00 69.82 30 A 1 ATOM 259 C CZ . ARG A 1 30 ? -2.490 -13.976 -8.725 1.00 62.81 30 A 1 ATOM 260 N NH1 . ARG A 1 30 ? -2.762 -13.794 -7.460 1.00 57.45 30 A 1 ATOM 261 N NH2 . ARG A 1 30 ? -1.869 -15.069 -9.071 1.00 53.53 30 A 1 ATOM 262 N N . GLU A 1 31 ? -6.578 -8.601 -11.854 1.00 96.55 31 A 1 ATOM 263 C CA . GLU A 1 31 ? -7.857 -8.840 -12.518 1.00 96.34 31 A 1 ATOM 264 C C . GLU A 1 31 ? -7.885 -8.227 -13.924 1.00 96.26 31 A 1 ATOM 265 O O . GLU A 1 31 ? -8.293 -8.884 -14.885 1.00 95.64 31 A 1 ATOM 266 C CB . GLU A 1 31 ? -8.997 -8.275 -11.665 1.00 95.89 31 A 1 ATOM 267 C CG . GLU A 1 31 ? -10.339 -8.818 -12.161 1.00 83.32 31 A 1 ATOM 268 C CD . GLU A 1 31 ? -11.560 -8.089 -11.620 1.00 74.54 31 A 1 ATOM 269 O OE1 . GLU A 1 31 ? -12.616 -8.239 -12.285 1.00 70.06 31 A 1 ATOM 270 O OE2 . GLU A 1 31 ? -11.445 -7.334 -10.639 1.00 71.94 31 A 1 ATOM 271 N N . TYR A 1 32 ? -7.384 -6.988 -14.075 1.00 96.66 32 A 1 ATOM 272 C CA . TYR A 1 32 ? -7.304 -6.315 -15.370 1.00 96.81 32 A 1 ATOM 273 C C . TYR A 1 32 ? -6.423 -7.072 -16.366 1.00 96.83 32 A 1 ATOM 274 O O . TYR A 1 32 ? -6.832 -7.286 -17.507 1.00 96.28 32 A 1 ATOM 275 C CB . TYR A 1 32 ? -6.798 -4.888 -15.166 1.00 96.43 32 A 1 ATOM 276 C CG . TYR A 1 32 ? -6.736 -4.099 -16.456 1.00 95.90 32 A 1 ATOM 277 C CD1 . TYR A 1 32 ? -5.545 -4.037 -17.201 1.00 92.59 32 A 1 ATOM 278 C CD2 . TYR A 1 32 ? -7.887 -3.442 -16.928 1.00 93.12 32 A 1 ATOM 279 C CE1 . TYR A 1 32 ? -5.499 -3.320 -18.405 1.00 91.92 32 A 1 ATOM 280 C CE2 . TYR A 1 32 ? -7.852 -2.722 -18.132 1.00 92.08 32 A 1 ATOM 281 C CZ . TYR A 1 32 ? -6.654 -2.665 -18.865 1.00 92.82 32 A 1 ATOM 282 O OH . TYR A 1 32 ? -6.613 -1.960 -20.046 1.00 91.30 32 A 1 ATOM 283 N N . ILE A 1 33 ? -5.235 -7.519 -15.933 1.00 95.98 33 A 1 ATOM 284 C CA . ILE A 1 33 ? -4.324 -8.315 -16.767 1.00 95.68 33 A 1 ATOM 285 C C . ILE A 1 33 ? -5.007 -9.603 -17.225 1.00 95.48 33 A 1 ATOM 286 O O . ILE A 1 33 ? -4.999 -9.898 -18.420 1.00 94.72 33 A 1 ATOM 287 C CB . ILE A 1 33 ? -3.009 -8.596 -16.013 1.00 95.39 33 A 1 ATOM 288 C CG1 . ILE A 1 33 ? -2.174 -7.301 -15.925 1.00 94.24 33 A 1 ATOM 289 C CG2 . ILE A 1 33 ? -2.182 -9.704 -16.692 1.00 93.88 33 A 1 ATOM 290 C CD1 . ILE A 1 33 ? -1.004 -7.393 -14.948 1.00 89.60 33 A 1 ATOM 291 N N . ASN A 1 34 ? -5.638 -10.330 -16.313 1.00 95.93 34 A 1 ATOM 292 C CA . ASN A 1 34 ? -6.331 -11.578 -16.632 1.00 95.37 34 A 1 ATOM 293 C C . ASN A 1 34 ? -7.494 -11.346 -17.605 1.00 95.21 34 A 1 ATOM 294 O O . ASN A 1 34 ? -7.620 -12.053 -18.602 1.00 93.56 34 A 1 ATOM 295 C CB . ASN A 1 34 ? -6.822 -12.219 -15.328 1.00 93.77 34 A 1 ATOM 296 C CG . ASN A 1 34 ? -5.696 -12.749 -14.446 1.00 88.17 34 A 1 ATOM 297 O OD1 . ASN A 1 34 ? -4.561 -12.929 -14.845 1.00 79.88 34 A 1 ATOM 298 N ND2 . ASN A 1 34 ? -6.006 -13.053 -13.201 1.00 78.11 34 A 1 ATOM 299 N N . ARG A 1 35 ? -8.310 -10.315 -17.369 1.00 95.39 35 A 1 ATOM 300 C CA . ARG A 1 35 ? -9.472 -9.991 -18.212 1.00 95.25 35 A 1 ATOM 301 C C . ARG A 1 35 ? -9.075 -9.590 -19.634 1.00 95.25 35 A 1 ATOM 302 O O . ARG A 1 35 ? -9.808 -9.877 -20.576 1.00 93.52 35 A 1 ATOM 303 C CB . ARG A 1 35 ? -10.284 -8.882 -17.522 1.00 93.28 35 A 1 ATOM 304 C CG . ARG A 1 35 ? -11.641 -8.645 -18.202 1.00 81.53 35 A 1 ATOM 305 C CD . ARG A 1 35 ? -12.389 -7.455 -17.585 1.00 79.92 35 A 1 ATOM 306 N NE . ARG A 1 35 ? -12.790 -7.685 -16.181 1.00 70.90 35 A 1 ATOM 307 C CZ . ARG A 1 35 ? -13.543 -6.876 -15.448 1.00 65.70 35 A 1 ATOM 308 N NH1 . ARG A 1 35 ? -14.013 -5.762 -15.933 1.00 61.55 35 A 1 ATOM 309 N NH2 . ARG A 1 35 ? -13.846 -7.169 -14.215 1.00 57.18 35 A 1 ATOM 310 N N . LYS A 1 36 ? -7.938 -8.914 -19.788 1.00 95.71 36 A 1 ATOM 311 C CA . LYS A 1 36 ? -7.440 -8.442 -21.089 1.00 95.38 36 A 1 ATOM 312 C C . LYS A 1 36 ? -6.492 -9.426 -21.783 1.00 95.31 36 A 1 ATOM 313 O O . LYS A 1 36 ? -6.069 -9.143 -22.902 1.00 92.77 36 A 1 ATOM 314 C CB . LYS A 1 36 ? -6.809 -7.048 -20.920 1.00 94.09 36 A 1 ATOM 315 C CG . LYS A 1 36 ? -7.797 -5.952 -20.492 1.00 90.37 36 A 1 ATOM 316 C CD . LYS A 1 36 ? -8.865 -5.686 -21.554 1.00 85.37 36 A 1 ATOM 317 C CE . LYS A 1 36 ? -9.723 -4.488 -21.156 1.00 80.01 36 A 1 ATOM 318 N NZ . LYS A 1 36 ? -10.760 -4.201 -22.170 1.00 71.90 36 A 1 ATOM 319 N N . GLY A 1 37 ? -6.152 -10.555 -21.151 1.00 91.58 37 A 1 ATOM 320 C CA . GLY A 1 37 ? -5.188 -11.518 -21.697 1.00 90.86 37 A 1 ATOM 321 C C . GLY A 1 37 ? -3.778 -10.939 -21.845 1.00 90.97 37 A 1 ATOM 322 O O . GLY A 1 37 ? -3.031 -11.355 -22.727 1.00 86.79 37 A 1 ATOM 323 N N . LEU A 1 38 ? -3.424 -9.957 -20.995 1.00 89.48 38 A 1 ATOM 324 C CA . LEU A 1 38 ? -2.126 -9.264 -21.043 1.00 88.61 38 A 1 ATOM 325 C C . LEU A 1 38 ? -1.026 -10.026 -20.290 1.00 86.21 38 A 1 ATOM 326 O O . LEU A 1 38 ? -0.028 -9.424 -19.885 1.00 81.92 38 A 1 ATOM 327 C CB . LEU A 1 38 ? -2.281 -7.825 -20.524 1.00 87.47 38 A 1 ATOM 328 C CG . LEU A 1 38 ? -3.233 -6.932 -21.333 1.00 81.98 38 A 1 ATOM 329 C CD1 . LEU A 1 38 ? -3.408 -5.598 -20.614 1.00 78.85 38 A 1 ATOM 330 C CD2 . LEU A 1 38 ? -2.712 -6.665 -22.742 1.00 76.08 38 A 1 ATOM 331 N N . ASN A 1 39 ? -1.199 -11.326 -20.073 1.00 82.68 39 A 1 ATOM 332 C CA . ASN A 1 39 ? -0.155 -12.167 -19.500 1.00 80.61 39 A 1 ATOM 333 C C . ASN A 1 39 ? 0.992 -12.245 -20.512 1.00 78.66 39 A 1 ATOM 334 O O . ASN A 1 39 ? 0.899 -12.948 -21.514 1.00 73.04 39 A 1 ATOM 335 C CB . ASN A 1 39 ? -0.728 -13.546 -19.144 1.00 74.65 39 A 1 ATOM 336 C CG . ASN A 1 39 ? -1.703 -13.503 -17.974 1.00 67.69 39 A 1 ATOM 337 O OD1 . ASN A 1 39 ? -1.639 -12.658 -17.099 1.00 62.50 39 A 1 ATOM 338 N ND2 . ASN A 1 39 ? -2.628 -14.441 -17.918 1.00 59.87 39 A 1 ATOM 339 N N . LYS A 1 40 ? 2.051 -11.475 -20.257 1.00 74.27 40 A 1 ATOM 340 C CA . LYS A 1 40 ? 3.353 -11.646 -20.897 1.00 72.42 40 A 1 ATOM 341 C C . LYS A 1 40 ? 4.123 -12.758 -20.207 1.00 68.18 40 A 1 ATOM 342 O O . LYS A 1 40 ? 3.979 -12.895 -18.982 1.00 61.37 40 A 1 ATOM 343 C CB . LYS A 1 40 ? 4.170 -10.348 -20.881 1.00 65.96 40 A 1 ATOM 344 C CG . LYS A 1 40 ? 3.624 -9.292 -21.849 1.00 61.20 40 A 1 ATOM 345 C CD . LYS A 1 40 ? 4.587 -8.097 -21.893 1.00 58.45 40 A 1 ATOM 346 C CE . LYS A 1 40 ? 4.101 -7.068 -22.902 1.00 53.02 40 A 1 ATOM 347 N NZ . LYS A 1 40 ? 5.069 -5.952 -23.027 1.00 50.23 40 A 1 ATOM 348 O OXT . LYS A 1 40 ? 4.873 -13.458 -20.935 1.00 56.43 40 A 1 #