# 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_acriia30 # _entry.id acriia30 # loop_ _atom_type.symbol C N O S # loop_ _audit_author.name _audit_author.pdbx_ordinal "Google DeepMind" 1 "Isomorphic Labs" 2 # _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 # loop_ _chem_comp.formula _chem_comp.formula_weight _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_smiles _chem_comp.pdbx_synonyms _chem_comp.type "C3 H7 N O2" 89.093 ALA y ALANINE C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ? "L-PEPTIDE LINKING" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)N ? "L-PEPTIDE LINKING" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-PEPTIDE LINKING" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "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" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" # _citation.book_publisher ? _citation.country UK _citation.id primary _citation.journal_full Nature _citation.journal_id_ASTM NATUAS _citation.journal_id_CSD 0006 _citation.journal_id_ISSN 0028-0836 _citation.journal_volume 630 _citation.page_first 493 _citation.page_last 500 _citation.pdbx_database_id_DOI 10.1038/s41586-024-07487-w _citation.pdbx_database_id_PubMed 38718835 _citation.title "Accurate structure prediction of biomolecular interactions with AlphaFold 3" _citation.year 2024 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary "Google DeepMind" 1 primary "Isomorphic Labs" 2 # _entity.id 1 _entity.pdbx_description . _entity.type polymer # _entity_poly.entity_id 1 _entity_poly.pdbx_strand_id A _entity_poly.type polypeptide(L) # loop_ _entity_poly_seq.entity_id _entity_poly_seq.hetero _entity_poly_seq.mon_id _entity_poly_seq.num 1 n MET 1 1 n ILE 2 1 n THR 3 1 n ALA 4 1 n ASN 5 1 n GLU 6 1 n ILE 7 1 n VAL 8 1 n LYS 9 1 n THR 10 1 n HIS 11 1 n LYS 12 1 n GLY 13 1 n ILE 14 1 n ARG 15 1 n LEU 16 1 n VAL 17 1 n GLN 18 1 n ARG 19 1 n LYS 20 1 n ASN 21 1 n GLU 22 1 n SER 23 1 n TRP 24 1 n GLU 25 1 n GLU 26 1 n PHE 27 1 n LYS 28 1 n GLU 29 1 n ARG 30 1 n ILE 31 1 n GLN 32 1 n GLU 33 1 n VAL 34 1 n ILE 35 1 n ALA 36 1 n LYS 37 1 n GLN 38 1 n GLY 39 1 n ASP 40 1 n ASN 41 1 n TYR 42 1 n LEU 43 1 n THR 44 1 n GLN 45 1 n THR 46 1 n LYS 47 1 n PRO 48 1 n VAL 49 1 n HIS 50 1 n GLU 51 1 n ILE 52 1 n LYS 53 1 n ASN 54 1 n LYS 55 1 n GLY 56 1 n THR 57 1 n ARG 58 1 n ASN 59 1 n ILE 60 1 n ARG 61 1 n ARG 62 1 n THR 63 1 n TYR 64 1 n VAL 65 1 n ASN 66 1 n ILE 67 1 n LEU 68 1 n LEU 69 1 n LYS 70 1 n GLU 71 1 n GLY 72 1 n ALA 73 # _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 19:50:13)" _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 83.58 _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 50.26 1 1 A ILE 2 2 56.99 1 2 A THR 3 2 55.84 1 3 A ALA 4 2 58.11 1 4 A ASN 5 2 53.29 1 5 A GLU 6 2 50.57 1 6 A ILE 7 2 50.99 1 7 A VAL 8 2 51.00 1 8 A LYS 9 2 51.94 1 9 A THR 10 2 58.08 1 10 A HIS 11 2 63.27 1 11 A LYS 12 2 73.40 1 12 A GLY 13 2 90.54 1 13 A ILE 14 2 93.49 1 14 A ARG 15 2 83.81 1 15 A LEU 16 2 93.86 1 16 A VAL 17 2 95.38 1 17 A GLN 18 2 94.32 1 18 A ARG 19 2 88.59 1 19 A LYS 20 2 78.52 1 20 A ASN 21 2 88.08 1 21 A GLU 22 2 95.20 1 22 A SER 23 2 96.13 1 23 A TRP 24 2 91.07 1 24 A GLU 25 2 88.40 1 25 A GLU 26 2 93.45 1 26 A PHE 27 2 96.93 1 27 A LYS 28 2 89.52 1 28 A GLU 29 2 91.13 1 29 A ARG 30 2 94.30 1 30 A ILE 31 2 97.20 1 31 A GLN 32 2 90.55 1 32 A GLU 33 2 90.64 1 33 A VAL 34 2 96.15 1 34 A ILE 35 2 95.93 1 35 A ALA 36 2 96.49 1 36 A LYS 37 2 87.06 1 37 A GLN 38 2 91.14 1 38 A GLY 39 2 92.87 1 39 A ASP 40 2 86.55 1 40 A ASN 41 2 87.53 1 41 A TYR 42 2 94.26 1 42 A LEU 43 2 90.97 1 43 A THR 44 2 93.03 1 44 A GLN 45 2 90.38 1 45 A THR 46 2 93.50 1 46 A LYS 47 2 86.62 1 47 A PRO 48 2 95.22 1 48 A VAL 49 2 94.31 1 49 A HIS 50 2 86.28 1 50 A GLU 51 2 85.75 1 51 A ILE 52 2 88.65 1 52 A LYS 53 2 80.58 1 53 A ASN 54 2 84.83 1 54 A LYS 55 2 80.13 1 55 A GLY 56 2 87.11 1 56 A THR 57 2 86.43 1 57 A ARG 58 2 75.51 1 58 A ASN 59 2 87.25 1 59 A ILE 60 2 84.47 1 60 A ARG 61 2 76.29 1 61 A ARG 62 2 78.23 1 62 A THR 63 2 94.48 1 63 A TYR 64 2 93.80 1 64 A VAL 65 2 95.11 1 65 A ASN 66 2 92.97 1 66 A ILE 67 2 95.92 1 67 A LEU 68 2 91.76 1 68 A LEU 69 2 91.94 1 69 A LYS 70 2 84.47 1 70 A GLU 71 2 67.69 1 71 A GLY 72 2 68.97 1 72 A ALA 73 2 57.77 1 73 # _ma_software_group.group_id 1 _ma_software_group.ordinal_id 1 _ma_software_group.software_id 1 # _ma_target_entity.data_id 1 _ma_target_entity.entity_id 1 _ma_target_entity.origin . # _ma_target_entity_instance.asym_id A _ma_target_entity_instance.details . _ma_target_entity_instance.entity_id 1 # loop_ _pdbx_data_usage.details _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.url ;Non-commercial use only, by using this file you agree to the terms of use found at https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. To request access to the AlphaFold 3 model parameters, follow the process set out at https://github.com/google-deepmind/alphafold3. You may only use these if received directly from Google. Use is subject to terms of use available at https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. ; 1 license https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md ;AlphaFold 3 and its output are not intended for, have not been validated for, and are not approved for clinical use. They are provided "as-is" without any warranty of any kind, whether expressed or implied. No warranty is given that use shall not infringe the rights of any third party. ; 2 disclaimer ? # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.hetero _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.seq_id A 1 1 n MET . 1 A 1 A 2 1 n ILE . 2 A 2 A 3 1 n THR . 3 A 3 A 4 1 n ALA . 4 A 4 A 5 1 n ASN . 5 A 5 A 6 1 n GLU . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n LYS . 9 A 9 A 10 1 n THR . 10 A 10 A 11 1 n HIS . 11 A 11 A 12 1 n LYS . 12 A 12 A 13 1 n GLY . 13 A 13 A 14 1 n ILE . 14 A 14 A 15 1 n ARG . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n GLN . 18 A 18 A 19 1 n ARG . 19 A 19 A 20 1 n LYS . 20 A 20 A 21 1 n ASN . 21 A 21 A 22 1 n GLU . 22 A 22 A 23 1 n SER . 23 A 23 A 24 1 n TRP . 24 A 24 A 25 1 n GLU . 25 A 25 A 26 1 n GLU . 26 A 26 A 27 1 n PHE . 27 A 27 A 28 1 n LYS . 28 A 28 A 29 1 n GLU . 29 A 29 A 30 1 n ARG . 30 A 30 A 31 1 n ILE . 31 A 31 A 32 1 n GLN . 32 A 32 A 33 1 n GLU . 33 A 33 A 34 1 n VAL . 34 A 34 A 35 1 n ILE . 35 A 35 A 36 1 n ALA . 36 A 36 A 37 1 n LYS . 37 A 37 A 38 1 n GLN . 38 A 38 A 39 1 n GLY . 39 A 39 A 40 1 n ASP . 40 A 40 A 41 1 n ASN . 41 A 41 A 42 1 n TYR . 42 A 42 A 43 1 n LEU . 43 A 43 A 44 1 n THR . 44 A 44 A 45 1 n GLN . 45 A 45 A 46 1 n THR . 46 A 46 A 47 1 n LYS . 47 A 47 A 48 1 n PRO . 48 A 48 A 49 1 n VAL . 49 A 49 A 50 1 n HIS . 50 A 50 A 51 1 n GLU . 51 A 51 A 52 1 n ILE . 52 A 52 A 53 1 n LYS . 53 A 53 A 54 1 n ASN . 54 A 54 A 55 1 n LYS . 55 A 55 A 56 1 n GLY . 56 A 56 A 57 1 n THR . 57 A 57 A 58 1 n ARG . 58 A 58 A 59 1 n ASN . 59 A 59 A 60 1 n ILE . 60 A 60 A 61 1 n ARG . 61 A 61 A 62 1 n ARG . 62 A 62 A 63 1 n THR . 63 A 63 A 64 1 n TYR . 64 A 64 A 65 1 n VAL . 65 A 65 A 66 1 n ASN . 66 A 66 A 67 1 n ILE . 67 A 67 A 68 1 n LEU . 68 A 68 A 69 1 n LEU . 69 A 69 A 70 1 n LYS . 70 A 70 A 71 1 n GLU . 71 A 71 A 72 1 n GLY . 72 A 72 A 73 1 n ALA . 73 A 73 # _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 ? -12.497 -33.428 -5.363 1.00 44.15 1 A 1 ATOM 2 C CA . MET A 1 1 ? -11.036 -33.530 -5.174 1.00 55.72 1 A 1 ATOM 3 C C . MET A 1 1 ? -10.527 -32.119 -4.984 1.00 57.04 1 A 1 ATOM 4 O O . MET A 1 1 ? -10.735 -31.311 -5.872 1.00 55.17 1 A 1 ATOM 5 C CB . MET A 1 1 ? -10.348 -34.177 -6.384 1.00 54.21 1 A 1 ATOM 6 C CG . MET A 1 1 ? -10.557 -35.693 -6.431 1.00 49.14 1 A 1 ATOM 7 S SD . MET A 1 1 ? -9.784 -36.458 -7.883 1.00 45.78 1 A 1 ATOM 8 C CE . MET A 1 1 ? -10.164 -38.199 -7.584 1.00 40.85 1 A 1 ATOM 9 N N . ILE A 1 2 ? -9.976 -31.809 -3.819 1.00 57.82 2 A 1 ATOM 10 C CA . ILE A 1 2 ? -9.356 -30.506 -3.561 1.00 61.02 2 A 1 ATOM 11 C C . ILE A 1 2 ? -7.971 -30.580 -4.196 1.00 60.84 2 A 1 ATOM 12 O O . ILE A 1 2 ? -7.173 -31.448 -3.828 1.00 58.23 2 A 1 ATOM 13 C CB . ILE A 1 2 ? -9.318 -30.208 -2.049 1.00 58.78 2 A 1 ATOM 14 C CG1 . ILE A 1 2 ? -10.746 -30.235 -1.453 1.00 54.25 2 A 1 ATOM 15 C CG2 . ILE A 1 2 ? -8.651 -28.853 -1.790 1.00 53.80 2 A 1 ATOM 16 C CD1 . ILE A 1 2 ? -10.797 -30.103 0.072 1.00 51.15 2 A 1 ATOM 17 N N . THR A 1 3 ? -7.707 -29.738 -5.185 1.00 55.95 3 A 1 ATOM 18 C CA . THR A 1 3 ? -6.397 -29.728 -5.839 1.00 59.47 3 A 1 ATOM 19 C C . THR A 1 3 ? -5.387 -29.018 -4.943 1.00 59.47 3 A 1 ATOM 20 O O . THR A 1 3 ? -5.724 -28.082 -4.221 1.00 57.44 3 A 1 ATOM 21 C CB . THR A 1 3 ? -6.453 -29.102 -7.238 1.00 57.12 3 A 1 ATOM 22 O OG1 . THR A 1 3 ? -6.914 -27.786 -7.185 1.00 50.82 3 A 1 ATOM 23 C CG2 . THR A 1 3 ? -7.366 -29.894 -8.181 1.00 50.64 3 A 1 ATOM 24 N N . ALA A 1 4 ? -4.122 -29.433 -4.975 1.00 57.50 4 A 1 ATOM 25 C CA . ALA A 1 4 ? -3.069 -28.856 -4.131 1.00 58.85 4 A 1 ATOM 26 C C . ALA A 1 4 ? -2.920 -27.333 -4.299 1.00 59.98 4 A 1 ATOM 27 O O . ALA A 1 4 ? -2.494 -26.647 -3.373 1.00 57.47 4 A 1 ATOM 28 C CB . ALA A 1 4 ? -1.759 -29.582 -4.452 1.00 56.76 4 A 1 ATOM 29 N N . ASN A 1 5 ? -3.324 -26.790 -5.447 1.00 55.08 5 A 1 ATOM 30 C CA . ASN A 1 5 ? -3.299 -25.356 -5.729 1.00 57.56 5 A 1 ATOM 31 C C . ASN A 1 5 ? -4.355 -24.558 -4.949 1.00 58.51 5 A 1 ATOM 32 O O . ASN A 1 5 ? -4.146 -23.376 -4.709 1.00 57.15 5 A 1 ATOM 33 C CB . ASN A 1 5 ? -3.470 -25.158 -7.239 1.00 55.78 5 A 1 ATOM 34 C CG . ASN A 1 5 ? -2.263 -25.611 -8.044 1.00 50.18 5 A 1 ATOM 35 O OD1 . ASN A 1 5 ? -1.164 -25.785 -7.551 1.00 46.50 5 A 1 ATOM 36 N ND2 . ASN A 1 5 ? -2.434 -25.809 -9.337 1.00 45.53 5 A 1 ATOM 37 N N . GLU A 1 6 ? -5.459 -25.171 -4.528 1.00 52.73 6 A 1 ATOM 38 C CA . GLU A 1 6 ? -6.508 -24.505 -3.736 1.00 55.67 6 A 1 ATOM 39 C C . GLU A 1 6 ? -6.094 -24.291 -2.276 1.00 56.24 6 A 1 ATOM 40 O O . GLU A 1 6 ? -6.697 -23.484 -1.571 1.00 55.78 6 A 1 ATOM 41 C CB . GLU A 1 6 ? -7.802 -25.326 -3.803 1.00 54.46 6 A 1 ATOM 42 C CG . GLU A 1 6 ? -8.468 -25.257 -5.181 1.00 48.86 6 A 1 ATOM 43 C CD . GLU A 1 6 ? -9.608 -26.267 -5.330 1.00 44.85 6 A 1 ATOM 44 O OE1 . GLU A 1 6 ? -10.680 -25.877 -5.824 1.00 42.54 6 A 1 ATOM 45 O OE2 . GLU A 1 6 ? -9.373 -27.453 -5.000 1.00 43.96 6 A 1 ATOM 46 N N . ILE A 1 7 ? -5.060 -24.990 -1.803 1.00 53.14 7 A 1 ATOM 47 C CA . ILE A 1 7 ? -4.581 -24.915 -0.416 1.00 54.38 7 A 1 ATOM 48 C C . ILE A 1 7 ? -3.558 -23.784 -0.230 1.00 54.33 7 A 1 ATOM 49 O O . ILE A 1 7 ? -3.252 -23.390 0.897 1.00 52.13 7 A 1 ATOM 50 C CB . ILE A 1 7 ? -4.045 -26.298 0.032 1.00 52.49 7 A 1 ATOM 51 C CG1 . ILE A 1 7 ? -5.102 -27.404 -0.213 1.00 48.09 7 A 1 ATOM 52 C CG2 . ILE A 1 7 ? -3.631 -26.294 1.513 1.00 48.21 7 A 1 ATOM 53 C CD1 . ILE A 1 7 ? -4.619 -28.827 0.085 1.00 45.15 7 A 1 ATOM 54 N N . VAL A 1 8 ? -3.013 -23.236 -1.311 1.00 53.60 8 A 1 ATOM 55 C CA . VAL A 1 8 ? -1.984 -22.194 -1.218 1.00 53.89 8 A 1 ATOM 56 C C . VAL A 1 8 ? -2.635 -20.850 -0.884 1.00 54.78 8 A 1 ATOM 57 O O . VAL A 1 8 ? -3.017 -20.074 -1.754 1.00 51.99 8 A 1 ATOM 58 C CB . VAL A 1 8 ? -1.083 -22.126 -2.465 1.00 51.25 8 A 1 ATOM 59 C CG1 . VAL A 1 8 ? 0.079 -21.150 -2.230 1.00 45.67 8 A 1 ATOM 60 C CG2 . VAL A 1 8 ? -0.464 -23.492 -2.781 1.00 45.84 8 A 1 ATOM 61 N N . LYS A 1 9 ? -2.730 -20.562 0.418 1.00 57.97 9 A 1 ATOM 62 C CA . LYS A 1 9 ? -3.113 -19.259 0.965 1.00 58.64 9 A 1 ATOM 63 C C . LYS A 1 9 ? -2.043 -18.218 0.636 1.00 59.20 9 A 1 ATOM 64 O O . LYS A 1 9 ? -1.151 -17.942 1.437 1.00 56.93 9 A 1 ATOM 65 C CB . LYS A 1 9 ? -3.328 -19.390 2.477 1.00 55.74 9 A 1 ATOM 66 C CG . LYS A 1 9 ? -4.607 -20.155 2.816 1.00 51.04 9 A 1 ATOM 67 C CD . LYS A 1 9 ? -4.749 -20.267 4.336 1.00 47.25 9 A 1 ATOM 68 C CE . LYS A 1 9 ? -6.186 -20.597 4.714 1.00 42.52 9 A 1 ATOM 69 N NZ . LYS A 1 9 ? -6.681 -19.597 5.685 1.00 38.15 9 A 1 ATOM 70 N N . THR A 1 10 ? -2.115 -17.633 -0.548 1.00 62.34 10 A 1 ATOM 71 C CA . THR A 1 10 ? -1.221 -16.541 -0.928 1.00 61.74 10 A 1 ATOM 72 C C . THR A 1 10 ? -1.877 -15.202 -0.620 1.00 63.03 10 A 1 ATOM 73 O O . THR A 1 10 ? -2.764 -14.741 -1.334 1.00 58.92 10 A 1 ATOM 74 C CB . THR A 1 10 ? -0.754 -16.633 -2.384 1.00 58.02 10 A 1 ATOM 75 O OG1 . THR A 1 10 ? -1.801 -16.915 -3.269 1.00 51.78 10 A 1 ATOM 76 C CG2 . THR A 1 10 ? 0.296 -17.731 -2.560 1.00 50.74 10 A 1 ATOM 77 N N . HIS A 1 11 ? -1.425 -14.550 0.446 1.00 71.25 11 A 1 ATOM 78 C CA . HIS A 1 11 ? -1.729 -13.143 0.664 1.00 71.60 11 A 1 ATOM 79 C C . HIS A 1 11 ? -0.857 -12.306 -0.263 1.00 75.02 11 A 1 ATOM 80 O O . HIS A 1 11 ? 0.361 -12.219 -0.084 1.00 73.36 11 A 1 ATOM 81 C CB . HIS A 1 11 ? -1.513 -12.759 2.125 1.00 66.72 11 A 1 ATOM 82 C CG . HIS A 1 11 ? -2.578 -13.288 3.039 1.00 61.91 11 A 1 ATOM 83 N ND1 . HIS A 1 11 ? -2.666 -14.562 3.560 1.00 56.07 11 A 1 ATOM 84 C CD2 . HIS A 1 11 ? -3.636 -12.578 3.548 1.00 53.35 11 A 1 ATOM 85 C CE1 . HIS A 1 11 ? -3.739 -14.612 4.362 1.00 51.57 11 A 1 ATOM 86 N NE2 . HIS A 1 11 ? -4.355 -13.421 4.388 1.00 51.86 11 A 1 ATOM 87 N N . LYS A 1 12 ? -1.482 -11.660 -1.248 1.00 82.10 12 A 1 ATOM 88 C CA . LYS A 1 12 ? -0.798 -10.658 -2.063 1.00 83.91 12 A 1 ATOM 89 C C . LYS A 1 12 ? -0.856 -9.308 -1.356 1.00 86.87 12 A 1 ATOM 90 O O . LYS A 1 12 ? -1.802 -8.998 -0.635 1.00 84.49 12 A 1 ATOM 91 C CB . LYS A 1 12 ? -1.388 -10.622 -3.473 1.00 78.79 12 A 1 ATOM 92 C CG . LYS A 1 12 ? -1.091 -11.915 -4.247 1.00 69.80 12 A 1 ATOM 93 C CD . LYS A 1 12 ? -1.703 -11.840 -5.648 1.00 65.55 12 A 1 ATOM 94 C CE . LYS A 1 12 ? -1.545 -13.170 -6.384 1.00 57.61 12 A 1 ATOM 95 N NZ . LYS A 1 12 ? -2.546 -13.298 -7.475 1.00 51.49 12 A 1 ATOM 96 N N . GLY A 1 13 ? 0.163 -8.489 -1.580 1.00 90.58 13 A 1 ATOM 97 C CA . GLY A 1 13 ? 0.232 -7.144 -1.032 1.00 90.51 13 A 1 ATOM 98 C C . GLY A 1 13 ? 0.830 -6.158 -2.024 1.00 91.83 13 A 1 ATOM 99 O O . GLY A 1 13 ? 1.753 -6.489 -2.769 1.00 89.25 13 A 1 ATOM 100 N N . ILE A 1 14 ? 0.313 -4.941 -2.008 1.00 94.73 14 A 1 ATOM 101 C CA . ILE A 1 14 ? 0.795 -3.830 -2.826 1.00 95.06 14 A 1 ATOM 102 C C . ILE A 1 14 ? 1.443 -2.816 -1.893 1.00 95.65 14 A 1 ATOM 103 O O . ILE A 1 14 ? 0.786 -2.249 -1.023 1.00 94.96 14 A 1 ATOM 104 C CB . ILE A 1 14 ? -0.350 -3.214 -3.654 1.00 94.25 14 A 1 ATOM 105 C CG1 . ILE A 1 14 ? -1.003 -4.272 -4.577 1.00 92.28 14 A 1 ATOM 106 C CG2 . ILE A 1 14 ? 0.180 -2.023 -4.477 1.00 91.51 14 A 1 ATOM 107 C CD1 . ILE A 1 14 ? -2.274 -3.782 -5.271 1.00 89.47 14 A 1 ATOM 108 N N . ARG A 1 15 ? 2.730 -2.554 -2.086 1.00 95.97 15 A 1 ATOM 109 C CA . ARG A 1 15 ? 3.418 -1.474 -1.367 1.00 95.97 15 A 1 ATOM 110 C C . ARG A 1 15 ? 3.315 -0.179 -2.164 1.00 96.23 15 A 1 ATOM 111 O O . ARG A 1 15 ? 3.861 -0.077 -3.259 1.00 95.07 15 A 1 ATOM 112 C CB . ARG A 1 15 ? 4.866 -1.881 -1.046 1.00 94.49 15 A 1 ATOM 113 C CG . ARG A 1 15 ? 5.614 -0.745 -0.325 1.00 86.84 15 A 1 ATOM 114 C CD . ARG A 1 15 ? 7.005 -1.172 0.151 1.00 83.32 15 A 1 ATOM 115 N NE . ARG A 1 15 ? 6.952 -1.864 1.452 1.00 75.85 15 A 1 ATOM 116 C CZ . ARG A 1 15 ? 7.989 -2.348 2.126 1.00 70.54 15 A 1 ATOM 117 N NH1 . ARG A 1 15 ? 9.196 -2.342 1.632 1.00 65.54 15 A 1 ATOM 118 N NH2 . ARG A 1 15 ? 7.827 -2.833 3.325 1.00 62.14 15 A 1 ATOM 119 N N . LEU A 1 16 ? 2.671 0.832 -1.570 1.00 96.82 16 A 1 ATOM 120 C CA . LEU A 1 16 ? 2.636 2.191 -2.098 1.00 97.14 16 A 1 ATOM 121 C C . LEU A 1 16 ? 3.612 3.065 -1.327 1.00 97.43 16 A 1 ATOM 122 O O . LEU A 1 16 ? 3.599 3.088 -0.104 1.00 96.65 16 A 1 ATOM 123 C CB . LEU A 1 16 ? 1.213 2.748 -2.020 1.00 96.46 16 A 1 ATOM 124 C CG . LEU A 1 16 ? 0.294 2.212 -3.123 1.00 90.93 16 A 1 ATOM 125 C CD1 . LEU A 1 16 ? -1.134 2.608 -2.789 1.00 87.36 16 A 1 ATOM 126 C CD2 . LEU A 1 16 ? 0.643 2.789 -4.494 1.00 88.08 16 A 1 ATOM 127 N N . VAL A 1 17 ? 4.452 3.777 -2.056 1.00 96.75 17 A 1 ATOM 128 C CA . VAL A 1 17 ? 5.468 4.673 -1.501 1.00 96.56 17 A 1 ATOM 129 C C . VAL A 1 17 ? 5.128 6.100 -1.905 1.00 96.75 17 A 1 ATOM 130 O O . VAL A 1 17 ? 4.865 6.346 -3.082 1.00 96.22 17 A 1 ATOM 131 C CB . VAL A 1 17 ? 6.871 4.277 -1.986 1.00 95.54 17 A 1 ATOM 132 C CG1 . VAL A 1 17 ? 7.939 5.184 -1.381 1.00 92.84 17 A 1 ATOM 133 C CG2 . VAL A 1 17 ? 7.219 2.824 -1.615 1.00 93.03 17 A 1 ATOM 134 N N . GLN A 1 18 ? 5.159 7.021 -0.945 1.00 97.03 18 A 1 ATOM 135 C CA . GLN A 1 18 ? 4.994 8.445 -1.210 1.00 96.78 18 A 1 ATOM 136 C C . GLN A 1 18 ? 6.128 8.934 -2.118 1.00 95.95 18 A 1 ATOM 137 O O . GLN A 1 18 ? 7.309 8.654 -1.882 1.00 94.80 18 A 1 ATOM 138 C CB . GLN A 1 18 ? 4.949 9.216 0.113 1.00 96.45 18 A 1 ATOM 139 C CG . GLN A 1 18 ? 4.519 10.677 -0.081 1.00 95.35 18 A 1 ATOM 140 C CD . GLN A 1 18 ? 4.474 11.457 1.229 1.00 93.92 18 A 1 ATOM 141 O OE1 . GLN A 1 18 ? 4.993 11.037 2.258 1.00 90.49 18 A 1 ATOM 142 N NE2 . GLN A 1 18 ? 3.872 12.627 1.229 1.00 88.15 18 A 1 ATOM 143 N N . ARG A 1 19 ? 5.759 9.658 -3.179 1.00 95.25 19 A 1 ATOM 144 C CA . ARG A 1 19 ? 6.713 10.218 -4.138 1.00 94.87 19 A 1 ATOM 145 C C . ARG A 1 19 ? 7.358 11.478 -3.557 1.00 94.45 19 A 1 ATOM 146 O O . ARG A 1 19 ? 6.820 12.119 -2.663 1.00 92.72 19 A 1 ATOM 147 C CB . ARG A 1 19 ? 6.007 10.502 -5.470 1.00 94.23 19 A 1 ATOM 148 C CG . ARG A 1 19 ? 5.422 9.234 -6.110 1.00 92.41 19 A 1 ATOM 149 C CD . ARG A 1 19 ? 4.602 9.612 -7.341 1.00 89.84 19 A 1 ATOM 150 N NE . ARG A 1 19 ? 4.012 8.431 -7.992 1.00 85.51 19 A 1 ATOM 151 C CZ . ARG A 1 19 ? 3.081 8.460 -8.935 1.00 81.95 19 A 1 ATOM 152 N NH1 . ARG A 1 19 ? 2.597 9.582 -9.389 1.00 78.67 19 A 1 ATOM 153 N NH2 . ARG A 1 19 ? 2.614 7.351 -9.434 1.00 74.61 19 A 1 ATOM 154 N N . LYS A 1 20 ? 8.520 11.840 -4.098 1.00 91.68 20 A 1 ATOM 155 C CA . LYS A 1 20 ? 9.293 12.990 -3.592 1.00 90.44 20 A 1 ATOM 156 C C . LYS A 1 20 ? 8.516 14.310 -3.640 1.00 90.42 20 A 1 ATOM 157 O O . LYS A 1 20 ? 8.678 15.127 -2.743 1.00 85.18 20 A 1 ATOM 158 C CB . LYS A 1 20 ? 10.604 13.094 -4.383 1.00 87.68 20 A 1 ATOM 159 C CG . LYS A 1 20 ? 11.520 14.195 -3.824 1.00 76.45 20 A 1 ATOM 160 C CD . LYS A 1 20 ? 12.801 14.317 -4.654 1.00 70.85 20 A 1 ATOM 161 C CE . LYS A 1 20 ? 13.617 15.498 -4.127 1.00 60.92 20 A 1 ATOM 162 N NZ . LYS A 1 20 ? 14.774 15.816 -5.007 1.00 53.05 20 A 1 ATOM 163 N N . ASN A 1 21 ? 7.713 14.503 -4.691 1.00 92.75 21 A 1 ATOM 164 C CA . ASN A 1 21 ? 6.968 15.744 -4.938 1.00 93.21 21 A 1 ATOM 165 C C . ASN A 1 21 ? 5.466 15.588 -4.643 1.00 93.96 21 A 1 ATOM 166 O O . ASN A 1 21 ? 4.672 16.380 -5.125 1.00 91.69 21 A 1 ATOM 167 C CB . ASN A 1 21 ? 7.210 16.208 -6.386 1.00 91.89 21 A 1 ATOM 168 C CG . ASN A 1 21 ? 8.664 16.465 -6.747 1.00 85.88 21 A 1 ATOM 169 O OD1 . ASN A 1 21 ? 9.583 16.497 -5.939 1.00 77.03 21 A 1 ATOM 170 N ND2 . ASN A 1 21 ? 8.926 16.629 -8.027 1.00 78.23 21 A 1 ATOM 171 N N . GLU A 1 22 ? 5.077 14.539 -3.934 1.00 95.48 22 A 1 ATOM 172 C CA . GLU A 1 22 ? 3.685 14.241 -3.607 1.00 96.20 22 A 1 ATOM 173 C C . GLU A 1 22 ? 3.395 14.721 -2.185 1.00 96.09 22 A 1 ATOM 174 O O . GLU A 1 22 ? 4.103 14.343 -1.242 1.00 95.08 22 A 1 ATOM 175 C CB . GLU A 1 22 ? 3.478 12.730 -3.784 1.00 96.10 22 A 1 ATOM 176 C CG . GLU A 1 22 ? 2.046 12.222 -3.582 1.00 95.45 22 A 1 ATOM 177 C CD . GLU A 1 22 ? 2.012 10.702 -3.837 1.00 95.70 22 A 1 ATOM 178 O OE1 . GLU A 1 22 ? 1.122 10.180 -4.529 1.00 93.12 22 A 1 ATOM 179 O OE2 . GLU A 1 22 ? 2.942 9.978 -3.397 1.00 93.55 22 A 1 ATOM 180 N N . SER A 1 23 ? 2.369 15.555 -2.045 1.00 96.82 23 A 1 ATOM 181 C CA . SER A 1 23 ? 1.881 15.979 -0.735 1.00 96.83 23 A 1 ATOM 182 C C . SER A 1 23 ? 1.264 14.800 0.025 1.00 96.71 23 A 1 ATOM 183 O O . SER A 1 23 ? 1.038 13.711 -0.516 1.00 96.37 23 A 1 ATOM 184 C CB . SER A 1 23 ? 0.870 17.128 -0.884 1.00 96.71 23 A 1 ATOM 185 O OG . SER A 1 23 ? -0.300 16.652 -1.501 1.00 93.33 23 A 1 ATOM 186 N N . TRP A 1 24 ? 0.993 14.987 1.313 1.00 95.98 24 A 1 ATOM 187 C CA . TRP A 1 24 ? 0.321 13.958 2.106 1.00 95.86 24 A 1 ATOM 188 C C . TRP A 1 24 ? -1.119 13.707 1.637 1.00 96.24 24 A 1 ATOM 189 O O . TRP A 1 24 ? -1.578 12.565 1.634 1.00 96.04 24 A 1 ATOM 190 C CB . TRP A 1 24 ? 0.354 14.366 3.577 1.00 94.90 24 A 1 ATOM 191 C CG . TRP A 1 24 ? -0.306 13.384 4.478 1.00 92.92 24 A 1 ATOM 192 C CD1 . TRP A 1 24 ? -1.421 13.607 5.209 1.00 89.71 24 A 1 ATOM 193 C CD2 . TRP A 1 24 ? 0.055 11.990 4.704 1.00 91.66 24 A 1 ATOM 194 N NE1 . TRP A 1 24 ? -1.777 12.447 5.891 1.00 87.20 24 A 1 ATOM 195 C CE2 . TRP A 1 24 ? -0.902 11.425 5.595 1.00 89.67 24 A 1 ATOM 196 C CE3 . TRP A 1 24 ? 1.084 11.146 4.231 1.00 85.51 24 A 1 ATOM 197 C CZ2 . TRP A 1 24 ? -0.854 10.071 5.990 1.00 86.47 24 A 1 ATOM 198 C CZ3 . TRP A 1 24 ? 1.137 9.801 4.624 1.00 86.51 24 A 1 ATOM 199 C CH2 . TRP A 1 24 ? 0.172 9.265 5.493 1.00 86.26 24 A 1 ATOM 200 N N . GLU A 1 25 ? -1.806 14.762 1.221 1.00 96.55 25 A 1 ATOM 201 C CA . GLU A 1 25 ? -3.166 14.725 0.690 1.00 97.05 25 A 1 ATOM 202 C C . GLU A 1 25 ? -3.217 13.933 -0.621 1.00 97.50 25 A 1 ATOM 203 O O . GLU A 1 25 ? -3.945 12.944 -0.701 1.00 97.36 25 A 1 ATOM 204 C CB . GLU A 1 25 ? -3.686 16.157 0.500 1.00 96.73 25 A 1 ATOM 205 C CG . GLU A 1 25 ? -3.983 16.906 1.815 1.00 86.93 25 A 1 ATOM 206 C CD . GLU A 1 25 ? -2.768 17.084 2.740 1.00 78.70 25 A 1 ATOM 207 O OE1 . GLU A 1 25 ? -2.974 16.900 3.966 1.00 72.00 25 A 1 ATOM 208 O OE2 . GLU A 1 25 ? -1.635 17.280 2.249 1.00 72.81 25 A 1 ATOM 209 N N . GLU A 1 26 ? -2.366 14.260 -1.587 1.00 97.57 26 A 1 ATOM 210 C CA . GLU A 1 26 ? -2.254 13.541 -2.864 1.00 97.73 26 A 1 ATOM 211 C C . GLU A 1 26 ? -1.879 12.068 -2.654 1.00 97.83 26 A 1 ATOM 212 O O . GLU A 1 26 ? -2.378 11.170 -3.338 1.00 97.54 26 A 1 ATOM 213 C CB . GLU A 1 26 ? -1.163 14.195 -3.721 1.00 97.46 26 A 1 ATOM 214 C CG . GLU A 1 26 ? -1.511 15.595 -4.242 1.00 93.32 26 A 1 ATOM 215 C CD . GLU A 1 26 ? -0.267 16.301 -4.814 1.00 89.65 26 A 1 ATOM 216 O OE1 . GLU A 1 26 ? -0.391 17.004 -5.831 1.00 84.52 26 A 1 ATOM 217 O OE2 . GLU A 1 26 ? 0.826 16.143 -4.206 1.00 85.43 26 A 1 ATOM 218 N N . PHE A 1 27 ? -1.011 11.776 -1.679 1.00 97.56 27 A 1 ATOM 219 C CA . PHE A 1 27 ? -0.659 10.396 -1.364 1.00 97.63 27 A 1 ATOM 220 C C . PHE A 1 27 ? -1.853 9.613 -0.812 1.00 97.63 27 A 1 ATOM 221 O O . PHE A 1 27 ? -2.055 8.464 -1.205 1.00 97.41 27 A 1 ATOM 222 C CB . PHE A 1 27 ? 0.521 10.361 -0.392 1.00 97.38 27 A 1 ATOM 223 C CG . PHE A 1 27 ? 0.999 8.962 -0.056 1.00 97.48 27 A 1 ATOM 224 C CD1 . PHE A 1 27 ? 1.196 8.584 1.283 1.00 96.63 27 A 1 ATOM 225 C CD2 . PHE A 1 27 ? 1.245 8.031 -1.076 1.00 96.56 27 A 1 ATOM 226 C CE1 . PHE A 1 27 ? 1.644 7.292 1.595 1.00 96.00 27 A 1 ATOM 227 C CE2 . PHE A 1 27 ? 1.684 6.734 -0.767 1.00 95.76 27 A 1 ATOM 228 C CZ . PHE A 1 27 ? 1.885 6.369 0.566 1.00 96.22 27 A 1 ATOM 229 N N . LYS A 1 28 ? -2.668 10.216 0.065 1.00 97.15 28 A 1 ATOM 230 C CA . LYS A 1 28 ? -3.900 9.590 0.565 1.00 97.03 28 A 1 ATOM 231 C C . LYS A 1 28 ? -4.895 9.330 -0.568 1.00 97.13 28 A 1 ATOM 232 O O . LYS A 1 28 ? -5.455 8.238 -0.610 1.00 97.00 28 A 1 ATOM 233 C CB . LYS A 1 28 ? -4.566 10.460 1.636 1.00 96.44 28 A 1 ATOM 234 C CG . LYS A 1 28 ? -3.851 10.393 2.995 1.00 88.23 28 A 1 ATOM 235 C CD . LYS A 1 28 ? -4.584 11.243 4.058 1.00 85.64 28 A 1 ATOM 236 C CE . LYS A 1 28 ? -4.550 12.718 3.652 1.00 76.81 28 A 1 ATOM 237 N NZ . LYS A 1 28 ? -5.205 13.626 4.609 1.00 70.24 28 A 1 ATOM 238 N N . GLU A 1 29 ? -5.094 10.270 -1.476 1.00 97.66 29 A 1 ATOM 239 C CA . GLU A 1 29 ? -5.962 10.093 -2.643 1.00 97.77 29 A 1 ATOM 240 C C . GLU A 1 29 ? -5.488 8.922 -3.503 1.00 97.76 29 A 1 ATOM 241 O O . GLU A 1 29 ? -6.256 7.998 -3.777 1.00 97.40 29 A 1 ATOM 242 C CB . GLU A 1 29 ? -6.011 11.386 -3.459 1.00 97.64 29 A 1 ATOM 243 C CG . GLU A 1 29 ? -6.809 12.470 -2.726 1.00 89.84 29 A 1 ATOM 244 C CD . GLU A 1 29 ? -6.793 13.832 -3.435 1.00 82.80 29 A 1 ATOM 245 O OE1 . GLU A 1 29 ? -7.413 14.761 -2.872 1.00 78.75 29 A 1 ATOM 246 O OE2 . GLU A 1 29 ? -6.151 13.945 -4.504 1.00 80.53 29 A 1 ATOM 247 N N . ARG A 1 30 ? -4.196 8.858 -3.815 1.00 97.99 30 A 1 ATOM 248 C CA . ARG A 1 30 ? -3.616 7.748 -4.575 1.00 97.82 30 A 1 ATOM 249 C C . ARG A 1 30 ? -3.756 6.395 -3.866 1.00 97.72 30 A 1 ATOM 250 O O . ARG A 1 30 ? -3.937 5.375 -4.531 1.00 97.08 30 A 1 ATOM 251 C CB . ARG A 1 30 ? -2.156 8.074 -4.888 1.00 97.44 30 A 1 ATOM 252 C CG . ARG A 1 30 ? -1.539 7.036 -5.838 1.00 95.24 30 A 1 ATOM 253 C CD . ARG A 1 30 ? -0.217 7.528 -6.420 1.00 94.30 30 A 1 ATOM 254 N NE . ARG A 1 30 ? 0.784 7.788 -5.372 1.00 91.99 30 A 1 ATOM 255 C CZ . ARG A 1 30 ? 1.643 6.942 -4.843 1.00 93.28 30 A 1 ATOM 256 N NH1 . ARG A 1 30 ? 1.718 5.697 -5.213 1.00 86.58 30 A 1 ATOM 257 N NH2 . ARG A 1 30 ? 2.462 7.358 -3.927 1.00 87.87 30 A 1 ATOM 258 N N . ILE A 1 31 ? -3.684 6.350 -2.541 1.00 97.87 31 A 1 ATOM 259 C CA . ILE A 1 31 ? -3.974 5.128 -1.775 1.00 97.68 31 A 1 ATOM 260 C C . ILE A 1 31 ? -5.426 4.700 -2.008 1.00 97.45 31 A 1 ATOM 261 O O . ILE A 1 31 ? -5.658 3.529 -2.304 1.00 97.20 31 A 1 ATOM 262 C CB . ILE A 1 31 ? -3.667 5.312 -0.270 1.00 97.61 31 A 1 ATOM 263 C CG1 . ILE A 1 31 ? -2.150 5.411 -0.020 1.00 97.16 31 A 1 ATOM 264 C CG2 . ILE A 1 31 ? -4.237 4.152 0.572 1.00 96.84 31 A 1 ATOM 265 C CD1 . ILE A 1 31 ? -1.798 6.031 1.334 1.00 95.77 31 A 1 ATOM 266 N N . GLN A 1 32 ? -6.386 5.624 -1.909 1.00 97.51 32 A 1 ATOM 267 C CA . GLN A 1 32 ? -7.804 5.322 -2.109 1.00 97.33 32 A 1 ATOM 268 C C . GLN A 1 32 ? -8.097 4.867 -3.542 1.00 97.18 32 A 1 ATOM 269 O O . GLN A 1 32 ? -8.817 3.890 -3.729 1.00 96.66 32 A 1 ATOM 270 C CB . GLN A 1 32 ? -8.681 6.529 -1.737 1.00 96.89 32 A 1 ATOM 271 C CG . GLN A 1 32 ? -8.602 6.913 -0.253 1.00 92.11 32 A 1 ATOM 272 C CD . GLN A 1 32 ? -8.956 5.761 0.694 1.00 85.49 32 A 1 ATOM 273 O OE1 . GLN A 1 32 ? -9.798 4.926 0.433 1.00 78.13 32 A 1 ATOM 274 N NE2 . GLN A 1 32 ? -8.301 5.678 1.834 1.00 73.68 32 A 1 ATOM 275 N N . GLU A 1 33 ? -7.487 5.481 -4.544 1.00 97.66 33 A 1 ATOM 276 C CA . GLU A 1 33 ? -7.606 5.052 -5.943 1.00 97.60 33 A 1 ATOM 277 C C . GLU A 1 33 ? -7.133 3.605 -6.148 1.00 97.36 33 A 1 ATOM 278 O O . GLU A 1 33 ? -7.797 2.810 -6.816 1.00 96.56 33 A 1 ATOM 279 C CB . GLU A 1 33 ? -6.760 5.954 -6.841 1.00 97.40 33 A 1 ATOM 280 C CG . GLU A 1 33 ? -7.311 7.373 -7.001 1.00 88.87 33 A 1 ATOM 281 C CD . GLU A 1 33 ? -6.377 8.250 -7.852 1.00 82.23 33 A 1 ATOM 282 O OE1 . GLU A 1 33 ? -6.787 9.374 -8.190 1.00 78.94 33 A 1 ATOM 283 O OE2 . GLU A 1 33 ? -5.250 7.790 -8.180 1.00 79.17 33 A 1 ATOM 284 N N . VAL A 1 34 ? -5.996 3.238 -5.559 1.00 97.15 34 A 1 ATOM 285 C CA . VAL A 1 34 ? -5.482 1.864 -5.662 1.00 96.70 34 A 1 ATOM 286 C C . VAL A 1 34 ? -6.395 0.880 -4.934 1.00 96.63 34 A 1 ATOM 287 O O . VAL A 1 34 ? -6.653 -0.194 -5.470 1.00 95.87 34 A 1 ATOM 288 C CB . VAL A 1 34 ? -4.033 1.763 -5.162 1.00 96.36 34 A 1 ATOM 289 C CG1 . VAL A 1 34 ? -3.535 0.312 -5.111 1.00 95.12 34 A 1 ATOM 290 C CG2 . VAL A 1 34 ? -3.098 2.530 -6.108 1.00 95.22 34 A 1 ATOM 291 N N . ILE A 1 35 ? -6.916 1.233 -3.763 1.00 96.78 35 A 1 ATOM 292 C CA . ILE A 1 35 ? -7.887 0.404 -3.034 1.00 96.59 35 A 1 ATOM 293 C C . ILE A 1 35 ? -9.153 0.208 -3.874 1.00 96.37 35 A 1 ATOM 294 O O . ILE A 1 35 ? -9.574 -0.930 -4.079 1.00 95.87 35 A 1 ATOM 295 C CB . ILE A 1 35 ? -8.202 1.022 -1.654 1.00 96.49 35 A 1 ATOM 296 C CG1 . ILE A 1 35 ? -6.972 0.878 -0.726 1.00 95.90 35 A 1 ATOM 297 C CG2 . ILE A 1 35 ? -9.433 0.358 -1.009 1.00 95.54 35 A 1 ATOM 298 C CD1 . ILE A 1 35 ? -7.074 1.710 0.555 1.00 93.93 35 A 1 ATOM 299 N N . ALA A 1 36 ? -9.718 1.291 -4.412 1.00 96.94 36 A 1 ATOM 300 C CA . ALA A 1 36 ? -10.913 1.240 -5.251 1.00 96.87 36 A 1 ATOM 301 C C . ALA A 1 36 ? -10.703 0.356 -6.491 1.00 96.51 36 A 1 ATOM 302 O O . ALA A 1 36 ? -11.573 -0.437 -6.848 1.00 95.39 36 A 1 ATOM 303 C CB . ALA A 1 36 ? -11.293 2.672 -5.643 1.00 96.72 36 A 1 ATOM 304 N N . LYS A 1 37 ? -9.523 0.407 -7.099 1.00 95.93 37 A 1 ATOM 305 C CA . LYS A 1 37 ? -9.169 -0.436 -8.246 1.00 95.28 37 A 1 ATOM 306 C C . LYS A 1 37 ? -9.120 -1.932 -7.908 1.00 94.71 37 A 1 ATOM 307 O O . LYS A 1 37 ? -9.358 -2.750 -8.794 1.00 93.03 37 A 1 ATOM 308 C CB . LYS A 1 37 ? -7.840 0.059 -8.829 1.00 94.85 37 A 1 ATOM 309 C CG . LYS A 1 37 ? -7.486 -0.659 -10.139 1.00 86.26 37 A 1 ATOM 310 C CD . LYS A 1 37 ? -6.215 -0.075 -10.755 1.00 82.55 37 A 1 ATOM 311 C CE . LYS A 1 37 ? -5.924 -0.813 -12.062 1.00 74.24 37 A 1 ATOM 312 N NZ . LYS A 1 37 ? -4.745 -0.243 -12.755 1.00 66.70 37 A 1 ATOM 313 N N . GLN A 1 38 ? -8.791 -2.297 -6.673 1.00 94.74 38 A 1 ATOM 314 C CA . GLN A 1 38 ? -8.804 -3.705 -6.251 1.00 94.06 38 A 1 ATOM 315 C C . GLN A 1 38 ? -10.229 -4.226 -6.005 1.00 93.44 38 A 1 ATOM 316 O O . GLN A 1 38 ? -10.445 -5.435 -6.094 1.00 91.25 38 A 1 ATOM 317 C CB . GLN A 1 38 ? -7.934 -3.914 -5.003 1.00 93.72 38 A 1 ATOM 318 C CG . GLN A 1 38 ? -6.450 -3.565 -5.184 1.00 92.16 38 A 1 ATOM 319 C CD . GLN A 1 38 ? -5.825 -4.194 -6.425 1.00 91.28 38 A 1 ATOM 320 O OE1 . GLN A 1 38 ? -5.891 -5.382 -6.664 1.00 85.74 38 A 1 ATOM 321 N NE2 . GLN A 1 38 ? -5.195 -3.401 -7.268 1.00 83.89 38 A 1 ATOM 322 N N . GLY A 1 39 ? -11.185 -3.345 -5.722 1.00 93.61 39 A 1 ATOM 323 C CA . GLY A 1 39 ? -12.577 -3.715 -5.470 1.00 93.03 39 A 1 ATOM 324 C C . GLY A 1 39 ? -12.700 -4.756 -4.358 1.00 93.26 39 A 1 ATOM 325 O O . GLY A 1 39 ? -12.133 -4.592 -3.274 1.00 91.57 39 A 1 ATOM 326 N N . ASP A 1 40 ? -13.387 -5.860 -4.636 1.00 93.16 40 A 1 ATOM 327 C CA . ASP A 1 40 ? -13.641 -6.933 -3.671 1.00 92.75 40 A 1 ATOM 328 C C . ASP A 1 40 ? -12.385 -7.692 -3.226 1.00 93.04 40 A 1 ATOM 329 O O . ASP A 1 40 ? -12.426 -8.401 -2.218 1.00 90.86 40 A 1 ATOM 330 C CB . ASP A 1 40 ? -14.647 -7.924 -4.270 1.00 90.77 40 A 1 ATOM 331 C CG . ASP A 1 40 ? -16.024 -7.302 -4.488 1.00 81.16 40 A 1 ATOM 332 O OD1 . ASP A 1 40 ? -16.374 -6.389 -3.706 1.00 74.72 40 A 1 ATOM 333 O OD2 . ASP A 1 40 ? -16.706 -7.756 -5.428 1.00 75.96 40 A 1 ATOM 334 N N . ASN A 1 41 ? -11.270 -7.542 -3.929 1.00 92.54 41 A 1 ATOM 335 C CA . ASN A 1 41 ? -10.002 -8.163 -3.545 1.00 92.59 41 A 1 ATOM 336 C C . ASN A 1 41 ? -9.298 -7.419 -2.406 1.00 93.75 41 A 1 ATOM 337 O O . ASN A 1 41 ? -8.364 -7.957 -1.812 1.00 92.88 41 A 1 ATOM 338 C CB . ASN A 1 41 ? -9.095 -8.268 -4.777 1.00 90.57 41 A 1 ATOM 339 C CG . ASN A 1 41 ? -9.659 -9.186 -5.845 1.00 84.78 41 A 1 ATOM 340 O OD1 . ASN A 1 41 ? -10.409 -10.107 -5.581 1.00 76.84 41 A 1 ATOM 341 N ND2 . ASN A 1 41 ? -9.285 -8.968 -7.088 1.00 76.26 41 A 1 ATOM 342 N N . TYR A 1 42 ? -9.726 -6.198 -2.079 1.00 93.96 42 A 1 ATOM 343 C CA . TYR A 1 42 ? -9.178 -5.446 -0.960 1.00 94.67 42 A 1 ATOM 344 C C . TYR A 1 42 ? -9.542 -6.108 0.372 1.00 94.53 42 A 1 ATOM 345 O O . TYR A 1 42 ? -10.700 -6.428 0.632 1.00 93.91 42 A 1 ATOM 346 C CB . TYR A 1 42 ? -9.664 -3.998 -1.019 1.00 95.02 42 A 1 ATOM 347 C CG . TYR A 1 42 ? -9.259 -3.179 0.187 1.00 95.43 42 A 1 ATOM 348 C CD1 . TYR A 1 42 ? -10.217 -2.815 1.155 1.00 94.49 42 A 1 ATOM 349 C CD2 . TYR A 1 42 ? -7.916 -2.795 0.361 1.00 94.49 42 A 1 ATOM 350 C CE1 . TYR A 1 42 ? -9.842 -2.055 2.271 1.00 93.70 42 A 1 ATOM 351 C CE2 . TYR A 1 42 ? -7.535 -2.037 1.478 1.00 93.72 42 A 1 ATOM 352 C CZ . TYR A 1 42 ? -8.502 -1.659 2.431 1.00 94.15 42 A 1 ATOM 353 O OH . TYR A 1 42 ? -8.142 -0.890 3.505 1.00 93.03 42 A 1 ATOM 354 N N . LEU A 1 43 ? -8.545 -6.283 1.231 1.00 94.55 43 A 1 ATOM 355 C CA . LEU A 1 43 ? -8.722 -6.787 2.587 1.00 94.03 43 A 1 ATOM 356 C C . LEU A 1 43 ? -8.558 -5.662 3.610 1.00 94.23 43 A 1 ATOM 357 O O . LEU A 1 43 ? -9.470 -5.376 4.382 1.00 93.47 43 A 1 ATOM 358 C CB . LEU A 1 43 ? -7.736 -7.949 2.821 1.00 92.64 43 A 1 ATOM 359 C CG . LEU A 1 43 ? -7.832 -8.580 4.224 1.00 88.55 43 A 1 ATOM 360 C CD1 . LEU A 1 43 ? -9.179 -9.253 4.464 1.00 85.66 43 A 1 ATOM 361 C CD2 . LEU A 1 43 ? -6.726 -9.626 4.385 1.00 84.60 43 A 1 ATOM 362 N N . THR A 1 44 ? -7.387 -5.040 3.640 1.00 95.29 44 A 1 ATOM 363 C CA . THR A 1 44 ? -7.067 -3.955 4.574 1.00 95.40 44 A 1 ATOM 364 C C . THR A 1 44 ? -5.822 -3.201 4.115 1.00 95.70 44 A 1 ATOM 365 O O . THR A 1 44 ? -5.116 -3.633 3.204 1.00 95.08 44 A 1 ATOM 366 C CB . THR A 1 44 ? -6.899 -4.514 5.999 1.00 94.22 44 A 1 ATOM 367 O OG1 . THR A 1 44 ? -6.818 -3.457 6.927 1.00 88.29 44 A 1 ATOM 368 C CG2 . THR A 1 44 ? -5.664 -5.396 6.196 1.00 87.20 44 A 1 ATOM 369 N N . GLN A 1 45 ? -5.525 -2.085 4.772 1.00 95.90 45 A 1 ATOM 370 C CA . GLN A 1 45 ? -4.256 -1.383 4.609 1.00 96.11 45 A 1 ATOM 371 C C . GLN A 1 45 ? -3.557 -1.205 5.957 1.00 96.20 45 A 1 ATOM 372 O O . GLN A 1 45 ? -4.199 -1.047 7.000 1.00 95.10 45 A 1 ATOM 373 C CB . GLN A 1 45 ? -4.450 -0.039 3.882 1.00 94.83 45 A 1 ATOM 374 C CG . GLN A 1 45 ? -5.323 0.960 4.653 1.00 89.73 45 A 1 ATOM 375 C CD . GLN A 1 45 ? -5.389 2.330 3.987 1.00 87.74 45 A 1 ATOM 376 O OE1 . GLN A 1 45 ? -4.560 2.697 3.179 1.00 80.50 45 A 1 ATOM 377 N NE2 . GLN A 1 45 ? -6.357 3.155 4.323 1.00 77.29 45 A 1 ATOM 378 N N . THR A 1 46 ? -2.233 -1.189 5.935 1.00 95.99 46 A 1 ATOM 379 C CA . THR A 1 46 ? -1.449 -0.838 7.119 1.00 95.57 46 A 1 ATOM 380 C C . THR A 1 46 ? -1.486 0.669 7.359 1.00 95.87 46 A 1 ATOM 381 O O . THR A 1 46 ? -1.672 1.465 6.437 1.00 94.78 46 A 1 ATOM 382 C CB . THR A 1 46 ? 0.005 -1.321 7.025 1.00 94.01 46 A 1 ATOM 383 O OG1 . THR A 1 46 ? 0.703 -0.677 5.985 1.00 89.49 46 A 1 ATOM 384 C CG2 . THR A 1 46 ? 0.087 -2.829 6.805 1.00 88.82 46 A 1 ATOM 385 N N . LYS A 1 47 ? -1.229 1.074 8.602 1.00 96.05 47 A 1 ATOM 386 C CA . LYS A 1 47 ? -0.930 2.480 8.890 1.00 95.81 47 A 1 ATOM 387 C C . LYS A 1 47 ? 0.318 2.916 8.103 1.00 96.17 47 A 1 ATOM 388 O O . LYS A 1 47 ? 1.185 2.079 7.819 1.00 94.83 47 A 1 ATOM 389 C CB . LYS A 1 47 ? -0.751 2.694 10.399 1.00 94.65 47 A 1 ATOM 390 C CG . LYS A 1 47 ? -2.069 2.475 11.165 1.00 85.62 47 A 1 ATOM 391 C CD . LYS A 1 47 ? -1.897 2.759 12.662 1.00 81.30 47 A 1 ATOM 392 C CE . LYS A 1 47 ? -3.229 2.533 13.384 1.00 72.36 47 A 1 ATOM 393 N NZ . LYS A 1 47 ? -3.134 2.774 14.848 1.00 62.79 47 A 1 ATOM 394 N N . PRO A 1 48 ? 0.431 4.225 7.773 1.00 96.46 48 A 1 ATOM 395 C CA . PRO A 1 48 ? 1.638 4.752 7.147 1.00 96.33 48 A 1 ATOM 396 C C . PRO A 1 48 ? 2.876 4.464 7.997 1.00 96.47 48 A 1 ATOM 397 O O . PRO A 1 48 ? 2.886 4.703 9.203 1.00 95.05 48 A 1 ATOM 398 C CB . PRO A 1 48 ? 1.400 6.253 6.974 1.00 95.01 48 A 1 ATOM 399 C CG . PRO A 1 48 ? -0.123 6.366 6.951 1.00 92.11 48 A 1 ATOM 400 C CD . PRO A 1 48 ? -0.569 5.264 7.901 1.00 95.08 48 A 1 ATOM 401 N N . VAL A 1 49 ? 3.925 3.958 7.359 1.00 96.12 49 A 1 ATOM 402 C CA . VAL A 1 49 ? 5.214 3.683 7.989 1.00 95.81 49 A 1 ATOM 403 C C . VAL A 1 49 ? 6.226 4.700 7.486 1.00 96.05 49 A 1 ATOM 404 O O . VAL A 1 49 ? 6.396 4.877 6.277 1.00 94.98 49 A 1 ATOM 405 C CB . VAL A 1 49 ? 5.683 2.242 7.720 1.00 94.39 49 A 1 ATOM 406 C CG1 . VAL A 1 49 ? 7.020 1.957 8.421 1.00 91.19 49 A 1 ATOM 407 C CG2 . VAL A 1 49 ? 4.658 1.215 8.218 1.00 91.66 49 A 1 ATOM 408 N N . HIS A 1 50 ? 6.906 5.347 8.420 1.00 95.43 50 A 1 ATOM 409 C CA . HIS A 1 50 ? 8.012 6.248 8.123 1.00 94.88 50 A 1 ATOM 410 C C . HIS A 1 50 ? 9.328 5.485 8.252 1.00 95.01 50 A 1 ATOM 411 O O . HIS A 1 50 ? 9.688 5.011 9.324 1.00 92.84 50 A 1 ATOM 412 C CB . HIS A 1 50 ? 7.956 7.466 9.044 1.00 93.44 50 A 1 ATOM 413 C CG . HIS A 1 50 ? 6.682 8.253 8.877 1.00 88.17 50 A 1 ATOM 414 N ND1 . HIS A 1 50 ? 6.351 9.056 7.807 1.00 74.66 50 A 1 ATOM 415 C CD2 . HIS A 1 50 ? 5.613 8.275 9.733 1.00 75.00 50 A 1 ATOM 416 C CE1 . HIS A 1 50 ? 5.121 9.554 8.020 1.00 75.78 50 A 1 ATOM 417 N NE2 . HIS A 1 50 ? 4.636 9.101 9.181 1.00 77.54 50 A 1 ATOM 418 N N . GLU A 1 51 ? 10.056 5.367 7.143 1.00 93.98 51 A 1 ATOM 419 C CA . GLU A 1 51 ? 11.369 4.740 7.081 1.00 93.50 51 A 1 ATOM 420 C C . GLU A 1 51 ? 12.442 5.814 6.872 1.00 93.79 51 A 1 ATOM 421 O O . GLU A 1 51 ? 12.302 6.701 6.027 1.00 92.27 51 A 1 ATOM 422 C CB . GLU A 1 51 ? 11.365 3.679 5.959 1.00 90.78 51 A 1 ATOM 423 C CG . GLU A 1 51 ? 12.645 2.843 5.912 1.00 80.55 51 A 1 ATOM 424 C CD . GLU A 1 51 ? 12.668 1.830 4.748 1.00 79.05 51 A 1 ATOM 425 O OE1 . GLU A 1 51 ? 13.156 0.699 4.920 1.00 73.58 51 A 1 ATOM 426 O OE2 . GLU A 1 51 ? 12.320 2.183 3.594 1.00 74.21 51 A 1 ATOM 427 N N . ILE A 1 52 ? 13.531 5.707 7.619 1.00 93.21 52 A 1 ATOM 428 C CA . ILE A 1 52 ? 14.736 6.508 7.398 1.00 92.90 52 A 1 ATOM 429 C C . ILE A 1 52 ? 15.828 5.560 6.913 1.00 92.32 52 A 1 ATOM 430 O O . ILE A 1 52 ? 16.260 4.670 7.643 1.00 89.97 52 A 1 ATOM 431 C CB . ILE A 1 52 ? 15.153 7.300 8.656 1.00 91.88 52 A 1 ATOM 432 C CG1 . ILE A 1 52 ? 13.980 8.184 9.160 1.00 86.02 52 A 1 ATOM 433 C CG2 . ILE A 1 52 ? 16.391 8.155 8.330 1.00 85.15 52 A 1 ATOM 434 C CD1 . ILE A 1 52 ? 14.285 8.965 10.446 1.00 77.74 52 A 1 ATOM 435 N N . LYS A 1 53 ? 16.260 5.734 5.667 1.00 90.16 53 A 1 ATOM 436 C CA . LYS A 1 53 ? 17.378 4.985 5.087 1.00 89.38 53 A 1 ATOM 437 C C . LYS A 1 53 ? 18.601 5.880 4.966 1.00 89.52 53 A 1 ATOM 438 O O . LYS A 1 53 ? 18.537 6.942 4.347 1.00 86.69 53 A 1 ATOM 439 C CB . LYS A 1 53 ? 16.986 4.371 3.739 1.00 86.86 53 A 1 ATOM 440 C CG . LYS A 1 53 ? 16.289 3.017 3.952 1.00 77.52 53 A 1 ATOM 441 C CD . LYS A 1 53 ? 15.893 2.338 2.634 1.00 75.57 53 A 1 ATOM 442 C CE . LYS A 1 53 ? 15.565 0.875 2.950 1.00 68.23 53 A 1 ATOM 443 N NZ . LYS A 1 53 ? 14.421 0.335 2.182 1.00 61.28 53 A 1 ATOM 444 N N . ASN A 1 54 ? 19.716 5.398 5.491 1.00 91.70 54 A 1 ATOM 445 C CA . ASN A 1 54 ? 21.009 6.036 5.286 1.00 91.94 54 A 1 ATOM 446 C C . ASN A 1 54 ? 21.533 5.640 3.905 1.00 91.67 54 A 1 ATOM 447 O O . ASN A 1 54 ? 21.752 4.462 3.627 1.00 89.00 54 A 1 ATOM 448 C CB . ASN A 1 54 ? 21.957 5.637 6.427 1.00 90.00 54 A 1 ATOM 449 C CG . ASN A 1 54 ? 21.473 6.144 7.783 1.00 80.92 54 A 1 ATOM 450 O OD1 . ASN A 1 54 ? 20.630 7.014 7.890 1.00 71.21 54 A 1 ATOM 451 N ND2 . ASN A 1 54 ? 21.990 5.596 8.862 1.00 72.16 54 A 1 ATOM 452 N N . LYS A 1 55 ? 21.732 6.619 3.021 1.00 88.47 55 A 1 ATOM 453 C CA . LYS A 1 55 ? 22.358 6.420 1.714 1.00 88.49 55 A 1 ATOM 454 C C . LYS A 1 55 ? 23.576 7.335 1.611 1.00 88.68 55 A 1 ATOM 455 O O . LYS A 1 55 ? 23.457 8.509 1.261 1.00 83.01 55 A 1 ATOM 456 C CB . LYS A 1 55 ? 21.329 6.615 0.587 1.00 86.26 55 A 1 ATOM 457 C CG . LYS A 1 55 ? 21.887 6.123 -0.762 1.00 78.58 55 A 1 ATOM 458 C CD . LYS A 1 55 ? 20.848 6.235 -1.886 1.00 75.64 55 A 1 ATOM 459 C CE . LYS A 1 55 ? 21.444 5.687 -3.192 1.00 69.19 55 A 1 ATOM 460 N NZ . LYS A 1 55 ? 20.499 5.771 -4.334 1.00 62.89 55 A 1 ATOM 461 N N . GLY A 1 56 ? 24.735 6.781 1.929 1.00 87.12 56 A 1 ATOM 462 C CA . GLY A 1 56 ? 25.966 7.556 2.051 1.00 87.81 56 A 1 ATOM 463 C C . GLY A 1 56 ? 25.856 8.594 3.170 1.00 88.89 56 A 1 ATOM 464 O O . GLY A 1 56 ? 25.479 8.261 4.289 1.00 84.62 56 A 1 ATOM 465 N N . THR A 1 57 ? 26.136 9.849 2.850 1.00 89.69 57 A 1 ATOM 466 C CA . THR A 1 57 ? 26.099 10.965 3.813 1.00 90.33 57 A 1 ATOM 467 C C . THR A 1 57 ? 24.700 11.563 4.013 1.00 90.53 57 A 1 ATOM 468 O O . THR A 1 57 ? 24.545 12.538 4.746 1.00 85.80 57 A 1 ATOM 469 C CB . THR A 1 57 ? 27.069 12.073 3.369 1.00 89.19 57 A 1 ATOM 470 O OG1 . THR A 1 57 ? 26.766 12.454 2.042 1.00 80.73 57 A 1 ATOM 471 C CG2 . THR A 1 57 ? 28.524 11.602 3.388 1.00 78.72 57 A 1 ATOM 472 N N . ARG A 1 58 ? 23.665 11.033 3.346 1.00 88.87 58 A 1 ATOM 473 C CA . ARG A 1 58 ? 22.306 11.585 3.390 1.00 89.66 58 A 1 ATOM 474 C C . ARG A 1 58 ? 21.313 10.584 3.964 1.00 90.46 58 A 1 ATOM 475 O O . ARG A 1 58 ? 21.253 9.435 3.529 1.00 87.59 58 A 1 ATOM 476 C CB . ARG A 1 58 ? 21.865 12.078 1.997 1.00 86.69 58 A 1 ATOM 477 C CG . ARG A 1 58 ? 22.700 13.281 1.523 1.00 76.52 58 A 1 ATOM 478 C CD . ARG A 1 58 ? 22.185 13.801 0.173 1.00 74.99 58 A 1 ATOM 479 N NE . ARG A 1 58 ? 22.980 14.955 -0.288 1.00 66.44 58 A 1 ATOM 480 C CZ . ARG A 1 58 ? 22.835 15.605 -1.440 1.00 61.51 58 A 1 ATOM 481 N NH1 . ARG A 1 58 ? 21.924 15.262 -2.313 1.00 56.17 58 A 1 ATOM 482 N NH2 . ARG A 1 58 ? 23.615 16.609 -1.731 1.00 51.75 58 A 1 ATOM 483 N N . ASN A 1 59 ? 20.461 11.082 4.861 1.00 91.50 59 A 1 ATOM 484 C CA . ASN A 1 59 ? 19.297 10.360 5.351 1.00 91.84 59 A 1 ATOM 485 C C . ASN A 1 59 ? 18.131 10.586 4.390 1.00 91.45 59 A 1 ATOM 486 O O . ASN A 1 59 ? 17.672 11.715 4.209 1.00 88.89 59 A 1 ATOM 487 C CB . ASN A 1 59 ? 18.970 10.820 6.779 1.00 90.34 59 A 1 ATOM 488 C CG . ASN A 1 59 ? 20.055 10.424 7.771 1.00 86.24 59 A 1 ATOM 489 O OD1 . ASN A 1 59 ? 20.883 9.571 7.521 1.00 79.00 59 A 1 ATOM 490 N ND2 . ASN A 1 59 ? 20.077 11.043 8.929 1.00 78.76 59 A 1 ATOM 491 N N . ILE A 1 60 ? 17.639 9.519 3.775 1.00 89.97 60 A 1 ATOM 492 C CA . ILE A 1 60 ? 16.447 9.546 2.933 1.00 89.41 60 A 1 ATOM 493 C C . ILE A 1 60 ? 15.269 9.121 3.799 1.00 89.89 60 A 1 ATOM 494 O O . ILE A 1 60 ? 15.199 7.974 4.243 1.00 87.98 60 A 1 ATOM 495 C CB . ILE A 1 60 ? 16.618 8.669 1.678 1.00 87.31 60 A 1 ATOM 496 C CG1 . ILE A 1 60 ? 17.845 9.146 0.857 1.00 79.58 60 A 1 ATOM 497 C CG2 . ILE A 1 60 ? 15.332 8.709 0.833 1.00 79.07 60 A 1 ATOM 498 C CD1 . ILE A 1 60 ? 18.131 8.304 -0.395 1.00 72.52 60 A 1 ATOM 499 N N . ARG A 1 61 ? 14.329 10.048 4.018 1.00 90.17 61 A 1 ATOM 500 C CA . ARG A 1 61 ? 13.044 9.755 4.655 1.00 89.88 61 A 1 ATOM 501 C C . ARG A 1 61 ? 12.063 9.300 3.587 1.00 90.05 61 A 1 ATOM 502 O O . ARG A 1 61 ? 11.961 9.930 2.537 1.00 87.80 61 A 1 ATOM 503 C CB . ARG A 1 61 ? 12.524 10.977 5.428 1.00 88.28 61 A 1 ATOM 504 C CG . ARG A 1 61 ? 13.471 11.352 6.584 1.00 78.98 61 A 1 ATOM 505 C CD . ARG A 1 61 ? 12.923 12.541 7.374 1.00 76.34 61 A 1 ATOM 506 N NE . ARG A 1 61 ? 13.839 12.916 8.467 1.00 67.99 61 A 1 ATOM 507 C CZ . ARG A 1 61 ? 13.684 13.946 9.290 1.00 61.79 61 A 1 ATOM 508 N NH1 . ARG A 1 61 ? 12.662 14.753 9.204 1.00 56.70 61 A 1 ATOM 509 N NH2 . ARG A 1 61 ? 14.570 14.182 10.218 1.00 51.17 61 A 1 ATOM 510 N N . ARG A 1 62 ? 11.351 8.208 3.852 1.00 91.62 62 A 1 ATOM 511 C CA . ARG A 1 62 ? 10.347 7.662 2.943 1.00 92.34 62 A 1 ATOM 512 C C . ARG A 1 62 ? 9.140 7.208 3.745 1.00 94.17 62 A 1 ATOM 513 O O . ARG A 1 62 ? 9.291 6.526 4.752 1.00 93.29 62 A 1 ATOM 514 C CB . ARG A 1 62 ? 10.983 6.526 2.129 1.00 88.71 62 A 1 ATOM 515 C CG . ARG A 1 62 ? 9.999 5.933 1.111 1.00 77.74 62 A 1 ATOM 516 C CD . ARG A 1 62 ? 10.674 4.872 0.233 1.00 75.82 62 A 1 ATOM 517 N NE . ARG A 1 62 ? 11.557 5.476 -0.784 1.00 68.06 62 A 1 ATOM 518 C CZ . ARG A 1 62 ? 12.197 4.811 -1.735 1.00 64.26 62 A 1 ATOM 519 N NH1 . ARG A 1 62 ? 12.143 3.508 -1.805 1.00 60.57 62 A 1 ATOM 520 N NH2 . ARG A 1 62 ? 12.892 5.449 -2.636 1.00 53.95 62 A 1 ATOM 521 N N . THR A 1 63 ? 7.953 7.562 3.255 1.00 95.56 63 A 1 ATOM 522 C CA . THR A 1 63 ? 6.687 7.092 3.818 1.00 96.35 63 A 1 ATOM 523 C C . THR A 1 63 ? 6.072 6.083 2.866 1.00 97.06 63 A 1 ATOM 524 O O . THR A 1 63 ? 6.073 6.299 1.653 1.00 96.52 63 A 1 ATOM 525 C CB . THR A 1 63 ? 5.733 8.260 4.080 1.00 95.40 63 A 1 ATOM 526 O OG1 . THR A 1 63 ? 6.386 9.212 4.898 1.00 90.52 63 A 1 ATOM 527 C CG2 . THR A 1 63 ? 4.469 7.821 4.807 1.00 89.95 63 A 1 ATOM 528 N N . TYR A 1 64 ? 5.569 4.960 3.397 1.00 97.49 64 A 1 ATOM 529 C CA . TYR A 1 64 ? 4.857 3.966 2.603 1.00 97.68 64 A 1 ATOM 530 C C . TYR A 1 64 ? 3.707 3.334 3.383 1.00 97.87 64 A 1 ATOM 531 O O . TYR A 1 64 ? 3.675 3.365 4.611 1.00 97.38 64 A 1 ATOM 532 C CB . TYR A 1 64 ? 5.836 2.907 2.075 1.00 96.97 64 A 1 ATOM 533 C CG . TYR A 1 64 ? 6.447 2.009 3.134 1.00 95.43 64 A 1 ATOM 534 C CD1 . TYR A 1 64 ? 7.687 2.340 3.724 1.00 93.31 64 A 1 ATOM 535 C CD2 . TYR A 1 64 ? 5.793 0.825 3.525 1.00 92.51 64 A 1 ATOM 536 C CE1 . TYR A 1 64 ? 8.261 1.502 4.690 1.00 90.44 64 A 1 ATOM 537 C CE2 . TYR A 1 64 ? 6.358 -0.017 4.497 1.00 90.49 64 A 1 ATOM 538 C CZ . TYR A 1 64 ? 7.594 0.321 5.075 1.00 89.29 64 A 1 ATOM 539 O OH . TYR A 1 64 ? 8.149 -0.506 6.025 1.00 86.75 64 A 1 ATOM 540 N N . VAL A 1 65 ? 2.776 2.737 2.641 1.00 97.62 65 A 1 ATOM 541 C CA . VAL A 1 65 ? 1.722 1.871 3.172 1.00 97.74 65 A 1 ATOM 542 C C . VAL A 1 65 ? 1.746 0.542 2.427 1.00 97.72 65 A 1 ATOM 543 O O . VAL A 1 65 ? 2.201 0.469 1.283 1.00 96.99 65 A 1 ATOM 544 C CB . VAL A 1 65 ? 0.323 2.515 3.082 1.00 96.89 65 A 1 ATOM 545 C CG1 . VAL A 1 65 ? 0.242 3.790 3.925 1.00 89.32 65 A 1 ATOM 546 C CG2 . VAL A 1 65 ? -0.079 2.837 1.644 1.00 89.46 65 A 1 ATOM 547 N N . ASN A 1 66 ? 1.255 -0.524 3.065 1.00 97.42 66 A 1 ATOM 548 C CA . ASN A 1 66 ? 1.000 -1.794 2.397 1.00 97.16 66 A 1 ATOM 549 C C . ASN A 1 66 ? -0.512 -1.995 2.315 1.00 97.22 66 A 1 ATOM 550 O O . ASN A 1 66 ? -1.192 -1.953 3.337 1.00 96.34 66 A 1 ATOM 551 C CB . ASN A 1 66 ? 1.692 -2.939 3.141 1.00 95.94 66 A 1 ATOM 552 C CG . ASN A 1 66 ? 3.201 -2.786 3.219 1.00 92.30 66 A 1 ATOM 553 O OD1 . ASN A 1 66 ? 3.905 -2.536 2.255 1.00 83.94 66 A 1 ATOM 554 N ND2 . ASN A 1 66 ? 3.756 -2.941 4.404 1.00 83.40 66 A 1 ATOM 555 N N . ILE A 1 67 ? -1.016 -2.216 1.112 1.00 96.78 67 A 1 ATOM 556 C CA . ILE A 1 67 ? -2.393 -2.629 0.863 1.00 96.72 67 A 1 ATOM 557 C C . ILE A 1 67 ? -2.383 -4.150 0.783 1.00 96.43 67 A 1 ATOM 558 O O . ILE A 1 67 ? -1.664 -4.718 -0.035 1.00 95.69 67 A 1 ATOM 559 C CB . ILE A 1 67 ? -2.936 -1.975 -0.420 1.00 96.72 67 A 1 ATOM 560 C CG1 . ILE A 1 67 ? -2.961 -0.436 -0.263 1.00 95.74 67 A 1 ATOM 561 C CG2 . ILE A 1 67 ? -4.335 -2.517 -0.748 1.00 95.81 67 A 1 ATOM 562 C CD1 . ILE A 1 67 ? -3.250 0.302 -1.567 1.00 93.46 67 A 1 ATOM 563 N N . LEU A 1 68 ? -3.150 -4.796 1.647 1.00 95.72 68 A 1 ATOM 564 C CA . LEU A 1 68 ? -3.278 -6.245 1.694 1.00 95.17 68 A 1 ATOM 565 C C . LEU A 1 68 ? -4.516 -6.660 0.905 1.00 95.03 68 A 1 ATOM 566 O O . LEU A 1 68 ? -5.566 -6.025 1.001 1.00 94.17 68 A 1 ATOM 567 C CB . LEU A 1 68 ? -3.328 -6.721 3.155 1.00 94.28 68 A 1 ATOM 568 C CG . LEU A 1 68 ? -2.114 -6.318 4.014 1.00 90.52 68 A 1 ATOM 569 C CD1 . LEU A 1 68 ? -2.279 -6.844 5.439 1.00 85.02 68 A 1 ATOM 570 C CD2 . LEU A 1 68 ? -0.792 -6.860 3.458 1.00 84.17 68 A 1 ATOM 571 N N . LEU A 1 69 ? -4.372 -7.728 0.127 1.00 94.49 69 A 1 ATOM 572 C CA . LEU A 1 69 ? -5.439 -8.319 -0.667 1.00 93.90 69 A 1 ATOM 573 C C . LEU A 1 69 ? -5.925 -9.611 -0.008 1.00 93.37 69 A 1 ATOM 574 O O . LEU A 1 69 ? -5.214 -10.211 0.804 1.00 92.26 69 A 1 ATOM 575 C CB . LEU A 1 69 ? -4.951 -8.544 -2.109 1.00 93.19 69 A 1 ATOM 576 C CG . LEU A 1 69 ? -4.398 -7.296 -2.819 1.00 91.51 69 A 1 ATOM 577 C CD1 . LEU A 1 69 ? -3.961 -7.648 -4.239 1.00 88.60 69 A 1 ATOM 578 C CD2 . LEU A 1 69 ? -5.424 -6.163 -2.896 1.00 88.17 69 A 1 ATOM 579 N N . LYS A 1 70 ? -7.145 -10.034 -0.357 1.00 91.83 70 A 1 ATOM 580 C CA . LYS A 1 70 ? -7.707 -11.308 0.086 1.00 89.88 70 A 1 ATOM 581 C C . LYS A 1 70 ? -6.867 -12.478 -0.432 1.00 87.32 70 A 1 ATOM 582 O O . LYS A 1 70 ? -6.181 -12.377 -1.454 1.00 81.18 70 A 1 ATOM 583 C CB . LYS A 1 70 ? -9.169 -11.428 -0.362 1.00 88.16 70 A 1 ATOM 584 C CG . LYS A 1 70 ? -10.086 -10.421 0.349 1.00 85.64 70 A 1 ATOM 585 C CD . LYS A 1 70 ? -11.530 -10.575 -0.135 1.00 83.84 70 A 1 ATOM 586 C CE . LYS A 1 70 ? -12.432 -9.516 0.497 1.00 79.57 70 A 1 ATOM 587 N NZ . LYS A 1 70 ? -13.763 -9.470 -0.160 1.00 72.85 70 A 1 ATOM 588 N N . GLU A 1 71 ? -6.934 -13.602 0.289 1.00 83.02 71 A 1 ATOM 589 C CA . GLU A 1 71 ? -6.339 -14.859 -0.158 1.00 78.97 71 A 1 ATOM 590 C C . GLU A 1 71 ? -6.943 -15.278 -1.503 1.00 76.34 71 A 1 ATOM 591 O O . GLU A 1 71 ? -8.147 -15.145 -1.719 1.00 67.87 71 A 1 ATOM 592 C CB . GLU A 1 71 ? -6.558 -15.969 0.889 1.00 73.70 71 A 1 ATOM 593 C CG . GLU A 1 71 ? -5.857 -15.692 2.224 1.00 64.37 71 A 1 ATOM 594 C CD . GLU A 1 71 ? -6.044 -16.798 3.282 1.00 58.49 71 A 1 ATOM 595 O OE1 . GLU A 1 71 ? -5.306 -16.805 4.291 1.00 53.55 71 A 1 ATOM 596 O OE2 . GLU A 1 71 ? -6.915 -17.684 3.136 1.00 52.92 71 A 1 ATOM 597 N N . GLY A 1 72 ? -6.108 -15.772 -2.420 1.00 73.29 72 A 1 ATOM 598 C CA . GLY A 1 72 ? -6.537 -16.233 -3.744 1.00 70.07 72 A 1 ATOM 599 C C . GLY A 1 72 ? -6.854 -15.128 -4.759 1.00 69.08 72 A 1 ATOM 600 O O . GLY A 1 72 ? -7.204 -15.454 -5.892 1.00 63.44 72 A 1 ATOM 601 N N . ALA A 1 73 ? -6.714 -13.848 -4.397 1.00 63.81 73 A 1 ATOM 602 C CA . ALA A 1 73 ? -6.878 -12.732 -5.328 1.00 61.83 73 A 1 ATOM 603 C C . ALA A 1 73 ? -5.769 -12.658 -6.394 1.00 58.34 73 A 1 ATOM 604 O O . ALA A 1 73 ? -4.629 -13.087 -6.128 1.00 52.93 73 A 1 ATOM 605 C CB . ALA A 1 73 ? -6.984 -11.421 -4.544 1.00 57.23 73 A 1 ATOM 606 O OXT . ALA A 1 73 ? -6.045 -12.145 -7.515 1.00 52.47 73 A 1 #