# 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_acrie6 # _entry.id acrie6 # loop_ _atom_type.symbol C N O S # loop_ _audit_author.name _audit_author.pdbx_ordinal "Google DeepMind" 1 "Isomorphic Labs" 2 # _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 # loop_ _chem_comp.formula _chem_comp.formula_weight _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_smiles _chem_comp.pdbx_synonyms _chem_comp.type "C3 H7 N O2" 89.093 ALA y ALANINE C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ? "L-PEPTIDE LINKING" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)N ? "L-PEPTIDE LINKING" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "L-PEPTIDE LINKING" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" # _citation.book_publisher ? _citation.country UK _citation.id primary _citation.journal_full Nature _citation.journal_id_ASTM NATUAS _citation.journal_id_CSD 0006 _citation.journal_id_ISSN 0028-0836 _citation.journal_volume 630 _citation.page_first 493 _citation.page_last 500 _citation.pdbx_database_id_DOI 10.1038/s41586-024-07487-w _citation.pdbx_database_id_PubMed 38718835 _citation.title "Accurate structure prediction of biomolecular interactions with AlphaFold 3" _citation.year 2024 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary "Google DeepMind" 1 primary "Isomorphic Labs" 2 # _entity.id 1 _entity.pdbx_description . _entity.type polymer # _entity_poly.entity_id 1 _entity_poly.pdbx_strand_id A _entity_poly.type polypeptide(L) # loop_ _entity_poly_seq.entity_id _entity_poly_seq.hetero _entity_poly_seq.mon_id _entity_poly_seq.num 1 n MET 1 1 n ASN 2 1 n ASN 3 1 n ASP 4 1 n THR 5 1 n GLU 6 1 n VAL 7 1 n LEU 8 1 n GLU 9 1 n GLN 10 1 n GLN 11 1 n ILE 12 1 n LYS 13 1 n ALA 14 1 n PHE 15 1 n GLU 16 1 n LEU 17 1 n LEU 18 1 n ALA 19 1 n ASP 20 1 n GLU 21 1 n LEU 22 1 n LYS 23 1 n ASP 24 1 n ARG 25 1 n LEU 26 1 n PRO 27 1 n THR 28 1 n LEU 29 1 n GLU 30 1 n ILE 31 1 n LEU 32 1 n SER 33 1 n PRO 34 1 n MET 35 1 n TYR 36 1 n THR 37 1 n ALA 38 1 n VAL 39 1 n MET 40 1 n VAL 41 1 n THR 42 1 n TYR 43 1 n ASP 44 1 n LEU 45 1 n ILE 46 1 n GLY 47 1 n LYS 48 1 n GLN 49 1 n LEU 50 1 n ALA 51 1 n SER 52 1 n ARG 53 1 n ARG 54 1 n ALA 55 1 n GLU 56 1 n LEU 57 1 n ILE 58 1 n GLU 59 1 n ILE 60 1 n LEU 61 1 n GLU 62 1 n GLU 63 1 n GLN 64 1 n TYR 65 1 n PRO 66 1 n GLY 67 1 n HIS 68 1 n ALA 69 1 n ALA 70 1 n ASP 71 1 n LEU 72 1 n SER 73 1 n ILE 74 1 n LYS 75 1 n ASN 76 1 n LEU 77 1 n CYS 78 1 n PRO 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 @ 2025-04-06 19:39:44)" _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 63.29 _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 48.37 1 1 A ASN 2 2 60.47 1 2 A ASN 3 2 66.39 1 3 A ASP 4 2 64.84 1 4 A THR 5 2 65.58 1 5 A GLU 6 2 69.61 1 6 A VAL 7 2 73.64 1 7 A LEU 8 2 65.84 1 8 A GLU 9 2 68.42 1 9 A GLN 10 2 71.78 1 10 A GLN 11 2 67.17 1 11 A ILE 12 2 66.41 1 12 A LYS 13 2 70.82 1 13 A ALA 14 2 78.11 1 14 A PHE 15 2 62.01 1 15 A GLU 16 2 70.29 1 16 A LEU 17 2 74.51 1 17 A LEU 18 2 70.02 1 18 A ALA 19 2 71.34 1 19 A ASP 20 2 68.83 1 20 A GLU 21 2 69.20 1 21 A LEU 22 2 64.12 1 22 A LYS 23 2 59.26 1 23 A ASP 24 2 66.69 1 24 A ARG 25 2 59.02 1 25 A LEU 26 2 56.50 1 26 A PRO 27 2 57.32 1 27 A THR 28 2 54.40 1 28 A LEU 29 2 52.26 1 29 A GLU 30 2 53.18 1 30 A ILE 31 2 55.88 1 31 A LEU 32 2 56.49 1 32 A SER 33 2 63.49 1 33 A PRO 34 2 68.16 1 34 A MET 35 2 63.29 1 35 A TYR 36 2 58.81 1 36 A THR 37 2 65.77 1 37 A ALA 38 2 68.97 1 38 A VAL 39 2 63.26 1 39 A MET 40 2 59.45 1 40 A VAL 41 2 67.28 1 41 A THR 42 2 65.74 1 42 A TYR 43 2 56.75 1 43 A ASP 44 2 66.09 1 44 A LEU 45 2 69.14 1 45 A ILE 46 2 69.63 1 46 A GLY 47 2 72.37 1 47 A LYS 48 2 71.22 1 48 A GLN 49 2 69.82 1 49 A LEU 50 2 66.34 1 50 A ALA 51 2 73.20 1 51 A SER 52 2 76.47 1 52 A ARG 53 2 62.79 1 53 A ARG 54 2 62.70 1 54 A ALA 55 2 78.32 1 55 A GLU 56 2 76.24 1 56 A LEU 57 2 72.20 1 57 A ILE 58 2 73.74 1 58 A GLU 59 2 76.18 1 59 A ILE 60 2 79.36 1 60 A LEU 61 2 71.77 1 61 A GLU 62 2 71.61 1 62 A GLU 63 2 76.84 1 63 A GLN 64 2 73.99 1 64 A TYR 65 2 70.63 1 65 A PRO 66 2 75.08 1 66 A GLY 67 2 66.49 1 67 A HIS 68 2 51.56 1 68 A ALA 69 2 51.47 1 69 A ALA 70 2 51.12 1 70 A ASP 71 2 48.41 1 71 A LEU 72 2 46.79 1 72 A SER 73 2 42.61 1 73 A ILE 74 2 43.63 1 74 A LYS 75 2 36.55 1 75 A ASN 76 2 38.53 1 76 A LEU 77 2 40.79 1 77 A CYS 78 2 38.02 1 78 A PRO 79 2 38.00 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 ASN . 2 A 2 A 3 1 n ASN . 3 A 3 A 4 1 n ASP . 4 A 4 A 5 1 n THR . 5 A 5 A 6 1 n GLU . 6 A 6 A 7 1 n VAL . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n GLU . 9 A 9 A 10 1 n GLN . 10 A 10 A 11 1 n GLN . 11 A 11 A 12 1 n ILE . 12 A 12 A 13 1 n LYS . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n PHE . 15 A 15 A 16 1 n GLU . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n ALA . 19 A 19 A 20 1 n ASP . 20 A 20 A 21 1 n GLU . 21 A 21 A 22 1 n LEU . 22 A 22 A 23 1 n LYS . 23 A 23 A 24 1 n ASP . 24 A 24 A 25 1 n ARG . 25 A 25 A 26 1 n LEU . 26 A 26 A 27 1 n PRO . 27 A 27 A 28 1 n THR . 28 A 28 A 29 1 n LEU . 29 A 29 A 30 1 n GLU . 30 A 30 A 31 1 n ILE . 31 A 31 A 32 1 n LEU . 32 A 32 A 33 1 n SER . 33 A 33 A 34 1 n PRO . 34 A 34 A 35 1 n MET . 35 A 35 A 36 1 n TYR . 36 A 36 A 37 1 n THR . 37 A 37 A 38 1 n ALA . 38 A 38 A 39 1 n VAL . 39 A 39 A 40 1 n MET . 40 A 40 A 41 1 n VAL . 41 A 41 A 42 1 n THR . 42 A 42 A 43 1 n TYR . 43 A 43 A 44 1 n ASP . 44 A 44 A 45 1 n LEU . 45 A 45 A 46 1 n ILE . 46 A 46 A 47 1 n GLY . 47 A 47 A 48 1 n LYS . 48 A 48 A 49 1 n GLN . 49 A 49 A 50 1 n LEU . 50 A 50 A 51 1 n ALA . 51 A 51 A 52 1 n SER . 52 A 52 A 53 1 n ARG . 53 A 53 A 54 1 n ARG . 54 A 54 A 55 1 n ALA . 55 A 55 A 56 1 n GLU . 56 A 56 A 57 1 n LEU . 57 A 57 A 58 1 n ILE . 58 A 58 A 59 1 n GLU . 59 A 59 A 60 1 n ILE . 60 A 60 A 61 1 n LEU . 61 A 61 A 62 1 n GLU . 62 A 62 A 63 1 n GLU . 63 A 63 A 64 1 n GLN . 64 A 64 A 65 1 n TYR . 65 A 65 A 66 1 n PRO . 66 A 66 A 67 1 n GLY . 67 A 67 A 68 1 n HIS . 68 A 68 A 69 1 n ALA . 69 A 69 A 70 1 n ALA . 70 A 70 A 71 1 n ASP . 71 A 71 A 72 1 n LEU . 72 A 72 A 73 1 n SER . 73 A 73 A 74 1 n ILE . 74 A 74 A 75 1 n LYS . 75 A 75 A 76 1 n ASN . 76 A 76 A 77 1 n LEU . 77 A 77 A 78 1 n CYS . 78 A 78 A 79 1 n PRO . 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 ? -27.049 11.970 17.345 1.00 47.07 1 A 1 ATOM 2 C CA . MET A 1 1 ? -25.621 11.680 17.113 1.00 54.78 1 A 1 ATOM 3 C C . MET A 1 1 ? -25.334 11.072 15.724 1.00 55.99 1 A 1 ATOM 4 O O . MET A 1 1 ? -24.294 10.478 15.558 1.00 53.20 1 A 1 ATOM 5 C CB . MET A 1 1 ? -25.046 10.814 18.255 1.00 51.91 1 A 1 ATOM 6 C CG . MET A 1 1 ? -24.644 11.665 19.471 1.00 46.03 1 A 1 ATOM 7 S SD . MET A 1 1 ? -24.058 10.671 20.868 1.00 40.81 1 A 1 ATOM 8 C CE . MET A 1 1 ? -22.997 11.879 21.707 1.00 37.18 1 A 1 ATOM 9 N N . ASN A 1 2 ? -26.226 11.233 14.720 1.00 65.89 2 A 1 ATOM 10 C CA . ASN A 1 2 ? -26.038 10.658 13.371 1.00 68.27 2 A 1 ATOM 11 C C . ASN A 1 2 ? -25.583 11.675 12.303 1.00 67.35 2 A 1 ATOM 12 O O . ASN A 1 2 ? -25.242 11.272 11.203 1.00 64.04 2 A 1 ATOM 13 C CB . ASN A 1 2 ? -27.331 9.931 12.941 1.00 63.24 2 A 1 ATOM 14 C CG . ASN A 1 2 ? -27.545 8.596 13.629 1.00 55.63 2 A 1 ATOM 15 O OD1 . ASN A 1 2 ? -26.841 8.209 14.547 1.00 51.75 2 A 1 ATOM 16 N ND2 . ASN A 1 2 ? -28.565 7.872 13.247 1.00 47.62 2 A 1 ATOM 17 N N . ASN A 1 3 ? -25.563 12.978 12.606 1.00 69.85 3 A 1 ATOM 18 C CA . ASN A 1 3 ? -25.311 14.015 11.597 1.00 74.37 3 A 1 ATOM 19 C C . ASN A 1 3 ? -23.826 14.147 11.218 1.00 73.59 3 A 1 ATOM 20 O O . ASN A 1 3 ? -23.507 14.453 10.075 1.00 69.92 3 A 1 ATOM 21 C CB . ASN A 1 3 ? -25.899 15.354 12.095 1.00 70.25 3 A 1 ATOM 22 C CG . ASN A 1 3 ? -26.966 15.935 11.183 1.00 62.14 3 A 1 ATOM 23 O OD1 . ASN A 1 3 ? -27.552 15.283 10.350 1.00 56.81 3 A 1 ATOM 24 N ND2 . ASN A 1 3 ? -27.301 17.190 11.355 1.00 54.19 3 A 1 ATOM 25 N N . ASP A 1 4 ? -22.911 13.888 12.149 1.00 69.98 4 A 1 ATOM 26 C CA . ASP A 1 4 ? -21.475 14.096 11.913 1.00 71.02 4 A 1 ATOM 27 C C . ASP A 1 4 ? -20.873 13.018 10.998 1.00 70.40 4 A 1 ATOM 28 O O . ASP A 1 4 ? -19.995 13.312 10.186 1.00 68.45 4 A 1 ATOM 29 C CB . ASP A 1 4 ? -20.741 14.155 13.264 1.00 67.21 4 A 1 ATOM 30 C CG . ASP A 1 4 ? -21.250 15.277 14.178 1.00 61.00 4 A 1 ATOM 31 O OD1 . ASP A 1 4 ? -21.688 16.321 13.649 1.00 56.80 4 A 1 ATOM 32 O OD2 . ASP A 1 4 ? -21.271 15.051 15.409 1.00 53.88 4 A 1 ATOM 33 N N . THR A 1 5 ? -21.388 11.789 11.067 1.00 68.22 5 A 1 ATOM 34 C CA . THR A 1 5 ? -20.937 10.675 10.221 1.00 68.62 5 A 1 ATOM 35 C C . THR A 1 5 ? -21.349 10.881 8.761 1.00 70.30 5 A 1 ATOM 36 O O . THR A 1 5 ? -20.527 10.708 7.868 1.00 69.43 5 A 1 ATOM 37 C CB . THR A 1 5 ? -21.480 9.333 10.736 1.00 65.66 5 A 1 ATOM 38 O OG1 . THR A 1 5 ? -21.398 9.265 12.144 1.00 59.38 5 A 1 ATOM 39 C CG2 . THR A 1 5 ? -20.685 8.149 10.189 1.00 57.47 5 A 1 ATOM 40 N N . GLU A 1 6 ? -22.586 11.333 8.510 1.00 72.98 6 A 1 ATOM 41 C CA . GLU A 1 6 ? -23.070 11.625 7.152 1.00 75.64 6 A 1 ATOM 42 C C . GLU A 1 6 ? -22.314 12.795 6.508 1.00 76.81 6 A 1 ATOM 43 O O . GLU A 1 6 ? -21.991 12.753 5.318 1.00 76.15 6 A 1 ATOM 44 C CB . GLU A 1 6 ? -24.572 11.944 7.189 1.00 74.83 6 A 1 ATOM 45 C CG . GLU A 1 6 ? -25.441 10.708 7.482 1.00 67.97 6 A 1 ATOM 46 C CD . GLU A 1 6 ? -26.950 11.013 7.486 1.00 63.28 6 A 1 ATOM 47 O OE1 . GLU A 1 6 ? -27.731 10.040 7.597 1.00 59.01 6 A 1 ATOM 48 O OE2 . GLU A 1 6 ? -27.332 12.206 7.409 1.00 59.86 6 A 1 ATOM 49 N N . VAL A 1 7 ? -21.974 13.822 7.284 1.00 76.56 7 A 1 ATOM 50 C CA . VAL A 1 7 ? -21.169 14.959 6.806 1.00 76.67 7 A 1 ATOM 51 C C . VAL A 1 7 ? -19.753 14.512 6.431 1.00 77.40 7 A 1 ATOM 52 O O . VAL A 1 7 ? -19.238 14.920 5.389 1.00 76.24 7 A 1 ATOM 53 C CB . VAL A 1 7 ? -21.151 16.089 7.855 1.00 73.33 7 A 1 ATOM 54 C CG1 . VAL A 1 7 ? -20.176 17.218 7.496 1.00 68.05 7 A 1 ATOM 55 C CG2 . VAL A 1 7 ? -22.543 16.727 7.979 1.00 67.24 7 A 1 ATOM 56 N N . LEU A 1 8 ? -19.132 13.645 7.224 1.00 71.13 8 A 1 ATOM 57 C CA . LEU A 1 8 ? -17.806 13.093 6.924 1.00 69.81 8 A 1 ATOM 58 C C . LEU A 1 8 ? -17.821 12.216 5.667 1.00 71.59 8 A 1 ATOM 59 O O . LEU A 1 8 ? -16.937 12.350 4.824 1.00 74.56 8 A 1 ATOM 60 C CB . LEU A 1 8 ? -17.290 12.307 8.142 1.00 68.37 8 A 1 ATOM 61 C CG . LEU A 1 8 ? -16.824 13.201 9.307 1.00 59.77 8 A 1 ATOM 62 C CD1 . LEU A 1 8 ? -16.589 12.344 10.552 1.00 54.55 8 A 1 ATOM 63 C CD2 . LEU A 1 8 ? -15.519 13.933 8.983 1.00 56.92 8 A 1 ATOM 64 N N . GLU A 1 9 ? -18.839 11.370 5.481 1.00 70.21 9 A 1 ATOM 65 C CA . GLU A 1 9 ? -18.982 10.557 4.267 1.00 72.01 9 A 1 ATOM 66 C C . GLU A 1 9 ? -19.169 11.412 3.006 1.00 74.37 9 A 1 ATOM 67 O O . GLU A 1 9 ? -18.605 11.105 1.952 1.00 75.79 9 A 1 ATOM 68 C CB . GLU A 1 9 ? -20.172 9.606 4.411 1.00 72.59 9 A 1 ATOM 69 C CG . GLU A 1 9 ? -19.880 8.413 5.334 1.00 67.50 9 A 1 ATOM 70 C CD . GLU A 1 9 ? -21.068 7.443 5.438 1.00 63.55 9 A 1 ATOM 71 O OE1 . GLU A 1 9 ? -20.939 6.469 6.209 1.00 59.19 9 A 1 ATOM 72 O OE2 . GLU A 1 9 ? -22.079 7.649 4.721 1.00 60.59 9 A 1 ATOM 73 N N . GLN A 1 10 ? -19.928 12.510 3.092 1.00 75.37 10 A 1 ATOM 74 C CA . GLN A 1 10 ? -20.080 13.456 1.983 1.00 75.70 10 A 1 ATOM 75 C C . GLN A 1 10 ? -18.772 14.178 1.659 1.00 77.07 10 A 1 ATOM 76 O O . GLN A 1 10 ? -18.450 14.360 0.482 1.00 75.83 10 A 1 ATOM 77 C CB . GLN A 1 10 ? -21.175 14.476 2.306 1.00 75.57 10 A 1 ATOM 78 C CG . GLN A 1 10 ? -22.578 13.865 2.190 1.00 72.05 10 A 1 ATOM 79 C CD . GLN A 1 10 ? -23.684 14.858 2.529 1.00 67.83 10 A 1 ATOM 80 O OE1 . GLN A 1 10 ? -23.477 16.042 2.757 1.00 66.07 10 A 1 ATOM 81 N NE2 . GLN A 1 10 ? -24.921 14.421 2.549 1.00 60.53 10 A 1 ATOM 82 N N . GLN A 1 11 ? -17.993 14.559 2.671 1.00 70.19 11 A 1 ATOM 83 C CA . GLN A 1 11 ? -16.680 15.171 2.474 1.00 70.40 11 A 1 ATOM 84 C C . GLN A 1 11 ? -15.698 14.202 1.813 1.00 72.11 11 A 1 ATOM 85 O O . GLN A 1 11 ? -15.029 14.589 0.858 1.00 73.15 11 A 1 ATOM 86 C CB . GLN A 1 11 ? -16.129 15.676 3.813 1.00 71.28 11 A 1 ATOM 87 C CG . GLN A 1 11 ? -16.847 16.959 4.267 1.00 66.10 11 A 1 ATOM 88 C CD . GLN A 1 11 ? -16.356 17.465 5.621 1.00 62.58 11 A 1 ATOM 89 O OE1 . GLN A 1 11 ? -15.558 16.863 6.322 1.00 61.61 11 A 1 ATOM 90 N NE2 . GLN A 1 11 ? -16.808 18.622 6.047 1.00 57.14 11 A 1 ATOM 91 N N . ILE A 1 12 ? -15.654 12.941 2.241 1.00 68.76 12 A 1 ATOM 92 C CA . ILE A 1 12 ? -14.797 11.907 1.637 1.00 68.19 12 A 1 ATOM 93 C C . ILE A 1 12 ? -15.138 11.734 0.152 1.00 69.67 12 A 1 ATOM 94 O O . ILE A 1 12 ? -14.243 11.832 -0.688 1.00 68.60 12 A 1 ATOM 95 C CB . ILE A 1 12 ? -14.904 10.584 2.433 1.00 67.48 12 A 1 ATOM 96 C CG1 . ILE A 1 12 ? -14.231 10.754 3.816 1.00 65.35 12 A 1 ATOM 97 C CG2 . ILE A 1 12 ? -14.242 9.421 1.669 1.00 61.67 12 A 1 ATOM 98 C CD1 . ILE A 1 12 ? -14.592 9.647 4.814 1.00 61.59 12 A 1 ATOM 99 N N . LYS A 1 13 ? -16.421 11.593 -0.201 1.00 74.91 13 A 1 ATOM 100 C CA . LYS A 1 13 ? -16.853 11.492 -1.606 1.00 74.26 13 A 1 ATOM 101 C C . LYS A 1 13 ? -16.484 12.723 -2.432 1.00 74.29 13 A 1 ATOM 102 O O . LYS A 1 13 ? -16.096 12.593 -3.592 1.00 74.98 13 A 1 ATOM 103 C CB . LYS A 1 13 ? -18.367 11.267 -1.671 1.00 75.44 13 A 1 ATOM 104 C CG . LYS A 1 13 ? -18.721 9.825 -1.305 1.00 71.70 13 A 1 ATOM 105 C CD . LYS A 1 13 ? -20.239 9.629 -1.336 1.00 69.88 13 A 1 ATOM 106 C CE . LYS A 1 13 ? -20.539 8.179 -0.970 1.00 63.54 13 A 1 ATOM 107 N NZ . LYS A 1 13 ? -21.998 7.931 -0.871 1.00 58.38 13 A 1 ATOM 108 N N . ALA A 1 14 ? -16.587 13.921 -1.862 1.00 79.41 14 A 1 ATOM 109 C CA . ALA A 1 14 ? -16.174 15.146 -2.545 1.00 79.21 14 A 1 ATOM 110 C C . ALA A 1 14 ? -14.658 15.173 -2.808 1.00 78.19 14 A 1 ATOM 111 O O . ALA A 1 14 ? -14.232 15.591 -3.882 1.00 74.32 14 A 1 ATOM 112 C CB . ALA A 1 14 ? -16.639 16.349 -1.717 1.00 79.43 14 A 1 ATOM 113 N N . PHE A 1 15 ? -13.843 14.697 -1.866 1.00 73.90 15 A 1 ATOM 114 C CA . PHE A 1 15 ? -12.394 14.580 -2.052 1.00 71.52 15 A 1 ATOM 115 C C . PHE A 1 15 ? -12.015 13.518 -3.084 1.00 72.30 15 A 1 ATOM 116 O O . PHE A 1 15 ? -11.104 13.763 -3.875 1.00 71.35 15 A 1 ATOM 117 C CB . PHE A 1 15 ? -11.707 14.303 -0.709 1.00 69.71 15 A 1 ATOM 118 C CG . PHE A 1 15 ? -11.498 15.542 0.142 1.00 62.35 15 A 1 ATOM 119 C CD1 . PHE A 1 15 ? -10.614 16.545 -0.299 1.00 55.23 15 A 1 ATOM 120 C CD2 . PHE A 1 15 ? -12.166 15.698 1.368 1.00 55.13 15 A 1 ATOM 121 C CE1 . PHE A 1 15 ? -10.415 17.704 0.474 1.00 48.96 15 A 1 ATOM 122 C CE2 . PHE A 1 15 ? -11.970 16.855 2.142 1.00 51.07 15 A 1 ATOM 123 C CZ . PHE A 1 15 ? -11.095 17.860 1.693 1.00 50.55 15 A 1 ATOM 124 N N . GLU A 1 16 ? -12.703 12.376 -3.126 1.00 70.30 16 A 1 ATOM 125 C CA . GLU A 1 16 ? -12.490 11.337 -4.143 1.00 72.32 16 A 1 ATOM 126 C C . GLU A 1 16 ? -12.776 11.874 -5.551 1.00 73.68 16 A 1 ATOM 127 O O . GLU A 1 16 ? -11.930 11.755 -6.437 1.00 72.70 16 A 1 ATOM 128 C CB . GLU A 1 16 ? -13.370 10.117 -3.834 1.00 74.57 16 A 1 ATOM 129 C CG . GLU A 1 16 ? -12.852 9.314 -2.628 1.00 72.53 16 A 1 ATOM 130 C CD . GLU A 1 16 ? -13.785 8.166 -2.200 1.00 68.59 16 A 1 ATOM 131 O OE1 . GLU A 1 16 ? -13.311 7.303 -1.430 1.00 63.01 16 A 1 ATOM 132 O OE2 . GLU A 1 16 ? -14.977 8.165 -2.598 1.00 64.91 16 A 1 ATOM 133 N N . LEU A 1 17 ? -13.904 12.572 -5.744 1.00 78.80 17 A 1 ATOM 134 C CA . LEU A 1 17 ? -14.244 13.197 -7.027 1.00 77.12 17 A 1 ATOM 135 C C . LEU A 1 17 ? -13.218 14.255 -7.457 1.00 76.72 17 A 1 ATOM 136 O O . LEU A 1 17 ? -12.840 14.315 -8.627 1.00 74.90 17 A 1 ATOM 137 C CB . LEU A 1 17 ? -15.643 13.830 -6.922 1.00 78.71 17 A 1 ATOM 138 C CG . LEU A 1 17 ? -16.793 12.807 -6.906 1.00 72.98 17 A 1 ATOM 139 C CD1 . LEU A 1 17 ? -18.098 13.515 -6.529 1.00 67.59 17 A 1 ATOM 140 C CD2 . LEU A 1 17 ? -16.989 12.153 -8.272 1.00 69.25 17 A 1 ATOM 141 N N . LEU A 1 18 ? -12.735 15.073 -6.524 1.00 76.12 18 A 1 ATOM 142 C CA . LEU A 1 18 ? -11.679 16.050 -6.801 1.00 73.78 18 A 1 ATOM 143 C C . LEU A 1 18 ? -10.348 15.383 -7.156 1.00 74.09 18 A 1 ATOM 144 O O . LEU A 1 18 ? -9.632 15.884 -8.023 1.00 73.50 18 A 1 ATOM 145 C CB . LEU A 1 18 ? -11.496 16.966 -5.580 1.00 74.54 18 A 1 ATOM 146 C CG . LEU A 1 18 ? -12.554 18.073 -5.463 1.00 65.10 18 A 1 ATOM 147 C CD1 . LEU A 1 18 ? -12.465 18.722 -4.081 1.00 60.61 18 A 1 ATOM 148 C CD2 . LEU A 1 18 ? -12.344 19.170 -6.506 1.00 62.39 18 A 1 ATOM 149 N N . ALA A 1 19 ? -10.009 14.269 -6.511 1.00 73.31 19 A 1 ATOM 150 C CA . ALA A 1 19 ? -8.792 13.517 -6.801 1.00 71.34 19 A 1 ATOM 151 C C . ALA A 1 19 ? -8.836 12.885 -8.198 1.00 71.82 19 A 1 ATOM 152 O O . ALA A 1 19 ? -7.849 12.969 -8.930 1.00 70.66 19 A 1 ATOM 153 C CB . ALA A 1 19 ? -8.584 12.467 -5.704 1.00 69.59 19 A 1 ATOM 154 N N . ASP A 1 20 ? -9.984 12.331 -8.598 1.00 69.43 20 A 1 ATOM 155 C CA . ASP A 1 20 ? -10.187 11.775 -9.937 1.00 70.33 20 A 1 ATOM 156 C C . ASP A 1 20 ? -10.133 12.871 -11.006 1.00 70.25 20 A 1 ATOM 157 O O . ASP A 1 20 ? -9.396 12.746 -11.988 1.00 69.64 20 A 1 ATOM 158 C CB . ASP A 1 20 ? -11.512 10.997 -9.988 1.00 71.29 20 A 1 ATOM 159 C CG . ASP A 1 20 ? -11.461 9.629 -9.290 1.00 69.04 20 A 1 ATOM 160 O OD1 . ASP A 1 20 ? -10.341 9.096 -9.091 1.00 65.82 20 A 1 ATOM 161 O OD2 . ASP A 1 20 ? -12.556 9.084 -9.030 1.00 64.86 20 A 1 ATOM 162 N N . GLU A 1 21 ? -10.801 14.011 -10.790 1.00 72.78 21 A 1 ATOM 163 C CA . GLU A 1 21 ? -10.751 15.147 -11.719 1.00 72.69 21 A 1 ATOM 164 C C . GLU A 1 21 ? -9.337 15.742 -11.827 1.00 72.11 21 A 1 ATOM 165 O O . GLU A 1 21 ? -8.900 16.140 -12.911 1.00 71.79 21 A 1 ATOM 166 C CB . GLU A 1 21 ? -11.776 16.211 -11.292 1.00 74.79 21 A 1 ATOM 167 C CG . GLU A 1 21 ? -11.962 17.265 -12.397 1.00 68.96 21 A 1 ATOM 168 C CD . GLU A 1 21 ? -13.013 18.340 -12.106 1.00 66.94 21 A 1 ATOM 169 O OE1 . GLU A 1 21 ? -13.206 19.185 -13.028 1.00 60.85 21 A 1 ATOM 170 O OE2 . GLU A 1 21 ? -13.574 18.390 -10.995 1.00 61.88 21 A 1 ATOM 171 N N . LEU A 1 22 ? -8.589 15.781 -10.728 1.00 69.70 22 A 1 ATOM 172 C CA . LEU A 1 22 ? -7.192 16.211 -10.738 1.00 68.16 22 A 1 ATOM 173 C C . LEU A 1 22 ? -6.313 15.229 -11.520 1.00 67.55 22 A 1 ATOM 174 O O . LEU A 1 22 ? -5.471 15.657 -12.297 1.00 65.05 22 A 1 ATOM 175 C CB . LEU A 1 22 ? -6.687 16.367 -9.290 1.00 67.82 22 A 1 ATOM 176 C CG . LEU A 1 22 ? -5.419 17.233 -9.204 1.00 60.69 22 A 1 ATOM 177 C CD1 . LEU A 1 22 ? -5.779 18.716 -9.085 1.00 56.99 22 A 1 ATOM 178 C CD2 . LEU A 1 22 ? -4.576 16.853 -7.987 1.00 57.00 22 A 1 ATOM 179 N N . LYS A 1 23 ? -6.528 13.921 -11.360 1.00 63.88 23 A 1 ATOM 180 C CA . LYS A 1 23 ? -5.797 12.861 -12.067 1.00 63.07 23 A 1 ATOM 181 C C . LYS A 1 23 ? -6.013 12.933 -13.577 1.00 63.08 23 A 1 ATOM 182 O O . LYS A 1 23 ? -5.051 12.778 -14.322 1.00 62.30 23 A 1 ATOM 183 C CB . LYS A 1 23 ? -6.245 11.521 -11.487 1.00 63.26 23 A 1 ATOM 184 C CG . LYS A 1 23 ? -5.453 10.325 -12.033 1.00 58.85 23 A 1 ATOM 185 C CD . LYS A 1 23 ? -6.033 9.062 -11.396 1.00 57.64 23 A 1 ATOM 186 C CE . LYS A 1 23 ? -5.346 7.806 -11.922 1.00 53.07 23 A 1 ATOM 187 N NZ . LYS A 1 23 ? -6.033 6.615 -11.369 1.00 48.15 23 A 1 ATOM 188 N N . ASP A 1 24 ? -7.238 13.230 -14.017 1.00 67.56 24 A 1 ATOM 189 C CA . ASP A 1 24 ? -7.566 13.391 -15.439 1.00 68.40 24 A 1 ATOM 190 C C . ASP A 1 24 ? -7.017 14.696 -16.035 1.00 67.56 24 A 1 ATOM 191 O O . ASP A 1 24 ? -6.693 14.763 -17.222 1.00 65.96 24 A 1 ATOM 192 C CB . ASP A 1 24 ? -9.093 13.332 -15.608 1.00 69.35 24 A 1 ATOM 193 C CG . ASP A 1 24 ? -9.679 11.921 -15.501 1.00 66.46 24 A 1 ATOM 194 O OD1 . ASP A 1 24 ? -8.900 10.939 -15.525 1.00 64.89 24 A 1 ATOM 195 O OD2 . ASP A 1 24 ? -10.928 11.841 -15.487 1.00 63.37 24 A 1 ATOM 196 N N . ARG A 1 25 ? -6.888 15.750 -15.221 1.00 64.96 25 A 1 ATOM 197 C CA . ARG A 1 25 ? -6.359 17.056 -15.655 1.00 63.42 25 A 1 ATOM 198 C C . ARG A 1 25 ? -4.846 17.188 -15.526 1.00 61.80 25 A 1 ATOM 199 O O . ARG A 1 25 ? -4.271 18.084 -16.147 1.00 60.31 25 A 1 ATOM 200 C CB . ARG A 1 25 ? -7.040 18.180 -14.875 1.00 64.51 25 A 1 ATOM 201 C CG . ARG A 1 25 ? -8.506 18.364 -15.274 1.00 62.52 25 A 1 ATOM 202 C CD . ARG A 1 25 ? -9.070 19.543 -14.471 1.00 63.31 25 A 1 ATOM 203 N NE . ARG A 1 25 ? -10.497 19.755 -14.731 1.00 57.81 25 A 1 ATOM 204 C CZ . ARG A 1 25 ? -11.122 20.894 -14.929 1.00 53.72 25 A 1 ATOM 205 N NH1 . ARG A 1 25 ? -10.489 22.026 -15.049 1.00 50.18 25 A 1 ATOM 206 N NH2 . ARG A 1 25 ? -12.421 20.903 -14.992 1.00 46.70 25 A 1 ATOM 207 N N . LEU A 1 26 ? -4.215 16.364 -14.708 1.00 62.05 26 A 1 ATOM 208 C CA . LEU A 1 26 ? -2.761 16.336 -14.632 1.00 60.24 26 A 1 ATOM 209 C C . LEU A 1 26 ? -2.242 15.822 -15.978 1.00 59.15 26 A 1 ATOM 210 O O . LEU A 1 26 ? -2.570 14.700 -16.359 1.00 56.34 26 A 1 ATOM 211 C CB . LEU A 1 26 ? -2.295 15.460 -13.456 1.00 58.68 26 A 1 ATOM 212 C CG . LEU A 1 26 ? -2.327 16.203 -12.104 1.00 53.91 26 A 1 ATOM 213 C CD1 . LEU A 1 26 ? -2.188 15.200 -10.952 1.00 51.24 26 A 1 ATOM 214 C CD2 . LEU A 1 26 ? -1.209 17.232 -11.970 1.00 50.38 26 A 1 ATOM 215 N N . PRO A 1 27 ? -1.457 16.627 -16.732 1.00 58.89 27 A 1 ATOM 216 C CA . PRO A 1 27 ? -0.800 16.103 -17.909 1.00 58.67 27 A 1 ATOM 217 C C . PRO A 1 27 ? -0.023 14.873 -17.453 1.00 58.64 27 A 1 ATOM 218 O O . PRO A 1 27 ? 0.685 14.930 -16.445 1.00 55.80 27 A 1 ATOM 219 C CB . PRO A 1 27 ? 0.104 17.227 -18.435 1.00 56.93 27 A 1 ATOM 220 C CG . PRO A 1 27 ? 0.362 18.089 -17.204 1.00 55.15 27 A 1 ATOM 221 C CD . PRO A 1 27 ? -0.916 17.923 -16.374 1.00 57.16 27 A 1 ATOM 222 N N . THR A 1 28 ? -0.181 13.759 -18.173 1.00 57.68 28 A 1 ATOM 223 C CA . THR A 1 28 ? 0.703 12.603 -18.036 1.00 57.14 28 A 1 ATOM 224 C C . THR A 1 28 ? 2.118 13.145 -18.149 1.00 56.53 28 A 1 ATOM 225 O O . THR A 1 28 ? 2.586 13.486 -19.233 1.00 54.02 28 A 1 ATOM 226 C CB . THR A 1 28 ? 0.439 11.515 -19.104 1.00 55.09 28 A 1 ATOM 227 O OG1 . THR A 1 28 ? -0.529 11.926 -20.053 1.00 50.10 28 A 1 ATOM 228 C CG2 . THR A 1 28 ? -0.091 10.237 -18.465 1.00 50.26 28 A 1 ATOM 229 N N . LEU A 1 29 ? 2.759 13.344 -17.003 1.00 56.48 29 A 1 ATOM 230 C CA . LEU A 1 29 ? 4.164 13.690 -16.950 1.00 56.44 29 A 1 ATOM 231 C C . LEU A 1 29 ? 4.873 12.452 -17.484 1.00 57.06 29 A 1 ATOM 232 O O . LEU A 1 29 ? 5.189 11.527 -16.740 1.00 54.44 29 A 1 ATOM 233 C CB . LEU A 1 29 ? 4.571 14.064 -15.507 1.00 53.79 29 A 1 ATOM 234 C CG . LEU A 1 29 ? 4.416 15.565 -15.190 1.00 48.79 29 A 1 ATOM 235 C CD1 . LEU A 1 29 ? 4.256 15.793 -13.690 1.00 45.86 29 A 1 ATOM 236 C CD2 . LEU A 1 29 ? 5.643 16.355 -15.657 1.00 45.21 29 A 1 ATOM 237 N N . GLU A 1 30 ? 5.059 12.410 -18.803 1.00 56.85 30 A 1 ATOM 238 C CA . GLU A 1 30 ? 6.055 11.558 -19.427 1.00 57.88 30 A 1 ATOM 239 C C . GLU A 1 30 ? 7.393 12.023 -18.864 1.00 57.83 30 A 1 ATOM 240 O O . GLU A 1 30 ? 8.056 12.918 -19.383 1.00 56.09 30 A 1 ATOM 241 C CB . GLU A 1 30 ? 6.016 11.655 -20.957 1.00 56.50 30 A 1 ATOM 242 C CG . GLU A 1 30 ? 4.819 10.916 -21.575 1.00 51.89 30 A 1 ATOM 243 C CD . GLU A 1 30 ? 4.900 10.843 -23.112 1.00 48.64 30 A 1 ATOM 244 O OE1 . GLU A 1 30 ? 4.096 10.081 -23.693 1.00 46.49 30 A 1 ATOM 245 O OE2 . GLU A 1 30 ? 5.764 11.535 -23.704 1.00 46.43 30 A 1 ATOM 246 N N . ILE A 1 31 ? 7.752 11.463 -17.709 1.00 58.97 31 A 1 ATOM 247 C CA . ILE A 1 31 ? 9.065 11.661 -17.123 1.00 58.95 31 A 1 ATOM 248 C C . ILE A 1 31 ? 10.021 10.853 -18.000 1.00 58.22 31 A 1 ATOM 249 O O . ILE A 1 31 ? 10.416 9.737 -17.673 1.00 55.56 31 A 1 ATOM 250 C CB . ILE A 1 31 ? 9.096 11.295 -15.619 1.00 57.67 31 A 1 ATOM 251 C CG1 . ILE A 1 31 ? 8.016 12.064 -14.816 1.00 54.30 31 A 1 ATOM 252 C CG2 . ILE A 1 31 ? 10.496 11.618 -15.059 1.00 53.26 31 A 1 ATOM 253 C CD1 . ILE A 1 31 ? 7.925 11.682 -13.333 1.00 50.07 31 A 1 ATOM 254 N N . LEU A 1 32 ? 10.371 11.430 -19.155 1.00 59.41 32 A 1 ATOM 255 C CA . LEU A 1 32 ? 11.360 10.921 -20.113 1.00 60.29 32 A 1 ATOM 256 C C . LEU A 1 32 ? 12.795 10.995 -19.560 1.00 61.08 32 A 1 ATOM 257 O O . LEU A 1 32 ? 13.768 11.025 -20.313 1.00 58.72 32 A 1 ATOM 258 C CB . LEU A 1 32 ? 11.218 11.702 -21.439 1.00 58.52 32 A 1 ATOM 259 C CG . LEU A 1 32 ? 9.926 11.412 -22.233 1.00 53.64 32 A 1 ATOM 260 C CD1 . LEU A 1 32 ? 9.787 12.431 -23.366 1.00 50.85 32 A 1 ATOM 261 C CD2 . LEU A 1 32 ? 9.952 10.010 -22.845 1.00 49.38 32 A 1 ATOM 262 N N . SER A 1 33 ? 12.952 11.049 -18.243 1.00 64.30 33 A 1 ATOM 263 C CA . SER A 1 33 ? 14.263 11.036 -17.614 1.00 65.82 33 A 1 ATOM 264 C C . SER A 1 33 ? 14.779 9.596 -17.544 1.00 67.02 33 A 1 ATOM 265 O O . SER A 1 33 ? 14.163 8.770 -16.859 1.00 65.10 33 A 1 ATOM 266 C CB . SER A 1 33 ? 14.213 11.682 -16.233 1.00 62.74 33 A 1 ATOM 267 O OG . SER A 1 33 ? 15.503 11.626 -15.648 1.00 55.98 33 A 1 ATOM 268 N N . PRO A 1 34 ? 15.926 9.288 -18.154 1.00 67.64 34 A 1 ATOM 269 C CA . PRO A 1 34 ? 16.581 7.983 -17.999 1.00 69.65 34 A 1 ATOM 270 C C . PRO A 1 34 ? 16.768 7.581 -16.528 1.00 69.74 34 A 1 ATOM 271 O O . PRO A 1 34 ? 16.729 6.403 -16.186 1.00 67.84 34 A 1 ATOM 272 C CB . PRO A 1 34 ? 17.941 8.132 -18.699 1.00 68.60 34 A 1 ATOM 273 C CG . PRO A 1 34 ? 17.708 9.231 -19.731 1.00 65.37 34 A 1 ATOM 274 C CD . PRO A 1 34 ? 16.691 10.150 -19.046 1.00 68.25 34 A 1 ATOM 275 N N . MET A 1 35 ? 16.912 8.572 -15.653 1.00 67.19 35 A 1 ATOM 276 C CA . MET A 1 35 ? 17.027 8.387 -14.207 1.00 68.11 35 A 1 ATOM 277 C C . MET A 1 35 ? 15.729 7.854 -13.587 1.00 67.47 35 A 1 ATOM 278 O O . MET A 1 35 ? 15.781 6.960 -12.748 1.00 65.88 35 A 1 ATOM 279 C CB . MET A 1 35 ? 17.444 9.724 -13.581 1.00 68.22 35 A 1 ATOM 280 C CG . MET A 1 35 ? 17.968 9.565 -12.158 1.00 61.38 35 A 1 ATOM 281 S SD . MET A 1 35 ? 18.630 11.108 -11.484 1.00 57.81 35 A 1 ATOM 282 C CE . MET A 1 35 ? 19.435 10.470 -9.986 1.00 50.28 35 A 1 ATOM 283 N N . TYR A 1 36 ? 14.565 8.350 -14.029 1.00 64.95 36 A 1 ATOM 284 C CA . TYR A 1 36 ? 13.271 7.845 -13.566 1.00 65.91 36 A 1 ATOM 285 C C . TYR A 1 36 ? 13.057 6.387 -13.992 1.00 66.75 36 A 1 ATOM 286 O O . TYR A 1 36 ? 12.708 5.546 -13.165 1.00 65.16 36 A 1 ATOM 287 C CB . TYR A 1 36 ? 12.151 8.743 -14.095 1.00 64.12 36 A 1 ATOM 288 C CG . TYR A 1 36 ? 10.775 8.306 -13.633 1.00 59.62 36 A 1 ATOM 289 C CD1 . TYR A 1 36 ? 9.955 7.530 -14.481 1.00 56.58 36 A 1 ATOM 290 C CD2 . TYR A 1 36 ? 10.322 8.660 -12.350 1.00 55.33 36 A 1 ATOM 291 C CE1 . TYR A 1 36 ? 8.683 7.121 -14.047 1.00 51.57 36 A 1 ATOM 292 C CE2 . TYR A 1 36 ? 9.049 8.251 -11.911 1.00 51.68 36 A 1 ATOM 293 C CZ . TYR A 1 36 ? 8.227 7.483 -12.762 1.00 51.51 36 A 1 ATOM 294 O OH . TYR A 1 36 ? 6.994 7.090 -12.344 1.00 52.55 36 A 1 ATOM 295 N N . THR A 1 37 ? 13.364 6.059 -15.246 1.00 67.07 37 A 1 ATOM 296 C CA . THR A 1 37 ? 13.299 4.675 -15.743 1.00 67.63 37 A 1 ATOM 297 C C . THR A 1 37 ? 14.222 3.748 -14.946 1.00 66.85 37 A 1 ATOM 298 O O . THR A 1 37 ? 13.800 2.671 -14.536 1.00 65.36 37 A 1 ATOM 299 C CB . THR A 1 37 ? 13.656 4.620 -17.237 1.00 67.28 37 A 1 ATOM 300 O OG1 . THR A 1 37 ? 12.880 5.557 -17.945 1.00 62.89 37 A 1 ATOM 301 C CG2 . THR A 1 37 ? 13.385 3.247 -17.848 1.00 63.34 37 A 1 ATOM 302 N N . ALA A 1 38 ? 15.451 4.172 -14.660 1.00 69.24 38 A 1 ATOM 303 C CA . ALA A 1 38 ? 16.395 3.396 -13.852 1.00 69.60 38 A 1 ATOM 304 C C . ALA A 1 38 ? 15.885 3.163 -12.416 1.00 69.00 38 A 1 ATOM 305 O O . ALA A 1 38 ? 15.998 2.055 -11.891 1.00 66.84 38 A 1 ATOM 306 C CB . ALA A 1 38 ? 17.749 4.116 -13.856 1.00 70.16 38 A 1 ATOM 307 N N . VAL A 1 39 ? 15.282 4.189 -11.801 1.00 66.33 39 A 1 ATOM 308 C CA . VAL A 1 39 ? 14.666 4.078 -10.469 1.00 66.09 39 A 1 ATOM 309 C C . VAL A 1 39 ? 13.497 3.091 -10.495 1.00 65.93 39 A 1 ATOM 310 O O . VAL A 1 39 ? 13.462 2.182 -9.668 1.00 63.59 39 A 1 ATOM 311 C CB . VAL A 1 39 ? 14.251 5.468 -9.944 1.00 64.44 39 A 1 ATOM 312 C CG1 . VAL A 1 39 ? 13.376 5.397 -8.688 1.00 58.25 39 A 1 ATOM 313 C CG2 . VAL A 1 39 ? 15.497 6.291 -9.572 1.00 58.20 39 A 1 ATOM 314 N N . MET A 1 40 ? 12.593 3.188 -11.470 1.00 62.54 40 A 1 ATOM 315 C CA . MET A 1 40 ? 11.441 2.281 -11.592 1.00 64.01 40 A 1 ATOM 316 C C . MET A 1 40 ? 11.861 0.822 -11.815 1.00 65.08 40 A 1 ATOM 317 O O . MET A 1 40 ? 11.328 -0.075 -11.163 1.00 64.74 40 A 1 ATOM 318 C CB . MET A 1 40 ? 10.523 2.752 -12.730 1.00 61.76 40 A 1 ATOM 319 C CG . MET A 1 40 ? 9.782 4.049 -12.380 1.00 56.92 40 A 1 ATOM 320 S SD . MET A 1 40 ? 8.715 3.977 -10.913 1.00 51.83 40 A 1 ATOM 321 C CE . MET A 1 40 ? 7.418 2.845 -11.488 1.00 48.74 40 A 1 ATOM 322 N N . VAL A 1 41 ? 12.859 0.577 -12.674 1.00 67.96 41 A 1 ATOM 323 C CA . VAL A 1 41 ? 13.421 -0.770 -12.885 1.00 68.59 41 A 1 ATOM 324 C C . VAL A 1 41 ? 14.053 -1.306 -11.599 1.00 69.07 41 A 1 ATOM 325 O O . VAL A 1 41 ? 13.857 -2.467 -11.245 1.00 66.58 41 A 1 ATOM 326 C CB . VAL A 1 41 ? 14.442 -0.756 -14.043 1.00 68.94 41 A 1 ATOM 327 C CG1 . VAL A 1 41 ? 15.221 -2.073 -14.168 1.00 64.86 41 A 1 ATOM 328 C CG2 . VAL A 1 41 ? 13.735 -0.522 -15.386 1.00 64.94 41 A 1 ATOM 329 N N . THR A 1 42 ? 14.767 -0.454 -10.862 1.00 67.85 42 A 1 ATOM 330 C CA . THR A 1 42 ? 15.377 -0.840 -9.580 1.00 67.29 42 A 1 ATOM 331 C C . THR A 1 42 ? 14.308 -1.194 -8.544 1.00 66.53 42 A 1 ATOM 332 O O . THR A 1 42 ? 14.431 -2.210 -7.863 1.00 65.13 42 A 1 ATOM 333 C CB . THR A 1 42 ? 16.295 0.273 -9.052 1.00 67.58 42 A 1 ATOM 334 O OG1 . THR A 1 42 ? 17.272 0.607 -10.012 1.00 64.01 42 A 1 ATOM 335 C CG2 . THR A 1 42 ? 17.053 -0.151 -7.795 1.00 61.80 42 A 1 ATOM 336 N N . TYR A 1 43 ? 13.225 -0.406 -8.455 1.00 64.70 43 A 1 ATOM 337 C CA . TYR A 1 43 ? 12.086 -0.697 -7.578 1.00 65.85 43 A 1 ATOM 338 C C . TYR A 1 43 ? 11.401 -2.021 -7.923 1.00 67.20 43 A 1 ATOM 339 O O . TYR A 1 43 ? 11.112 -2.803 -7.017 1.00 66.10 43 A 1 ATOM 340 C CB . TYR A 1 43 ? 11.071 0.456 -7.628 1.00 64.60 43 A 1 ATOM 341 C CG . TYR A 1 43 ? 11.232 1.445 -6.489 1.00 58.92 43 A 1 ATOM 342 C CD1 . TYR A 1 43 ? 10.678 1.142 -5.228 1.00 53.20 43 A 1 ATOM 343 C CD2 . TYR A 1 43 ? 11.925 2.653 -6.676 1.00 51.90 43 A 1 ATOM 344 C CE1 . TYR A 1 43 ? 10.818 2.048 -4.159 1.00 46.93 43 A 1 ATOM 345 C CE2 . TYR A 1 43 ? 12.070 3.564 -5.609 1.00 47.78 43 A 1 ATOM 346 C CZ . TYR A 1 43 ? 11.514 3.259 -4.348 1.00 47.42 43 A 1 ATOM 347 O OH . TYR A 1 43 ? 11.648 4.135 -3.313 1.00 46.42 43 A 1 ATOM 348 N N . ASP A 1 44 ? 11.184 -2.312 -9.203 1.00 67.88 44 A 1 ATOM 349 C CA . ASP A 1 44 ? 10.592 -3.578 -9.655 1.00 70.11 44 A 1 ATOM 350 C C . ASP A 1 44 ? 11.483 -4.786 -9.303 1.00 71.07 44 A 1 ATOM 351 O O . ASP A 1 44 ? 11.002 -5.795 -8.777 1.00 69.21 44 A 1 ATOM 352 C CB . ASP A 1 44 ? 10.322 -3.498 -11.168 1.00 68.79 44 A 1 ATOM 353 C CG . ASP A 1 44 ? 9.654 -4.768 -11.701 1.00 63.35 44 A 1 ATOM 354 O OD1 . ASP A 1 44 ? 8.559 -5.130 -11.220 1.00 60.36 44 A 1 ATOM 355 O OD2 . ASP A 1 44 ? 10.244 -5.441 -12.581 1.00 57.97 44 A 1 ATOM 356 N N . LEU A 1 45 ? 12.799 -4.665 -9.496 1.00 72.33 45 A 1 ATOM 357 C CA . LEU A 1 45 ? 13.762 -5.709 -9.130 1.00 72.44 45 A 1 ATOM 358 C C . LEU A 1 45 ? 13.801 -5.954 -7.616 1.00 71.93 45 A 1 ATOM 359 O O . LEU A 1 45 ? 13.750 -7.107 -7.180 1.00 70.56 45 A 1 ATOM 360 C CB . LEU A 1 45 ? 15.163 -5.326 -9.650 1.00 74.31 45 A 1 ATOM 361 C CG . LEU A 1 45 ? 15.327 -5.442 -11.177 1.00 66.79 45 A 1 ATOM 362 C CD1 . LEU A 1 45 ? 16.669 -4.834 -11.588 1.00 61.34 45 A 1 ATOM 363 C CD2 . LEU A 1 45 ? 15.304 -6.902 -11.647 1.00 63.39 45 A 1 ATOM 364 N N . ILE A 1 46 ? 13.837 -4.884 -6.812 1.00 73.36 46 A 1 ATOM 365 C CA . ILE A 1 46 ? 13.787 -4.983 -5.345 1.00 72.24 46 A 1 ATOM 366 C C . ILE A 1 46 ? 12.461 -5.612 -4.906 1.00 71.33 46 A 1 ATOM 367 O O . ILE A 1 46 ? 12.463 -6.503 -4.059 1.00 67.01 46 A 1 ATOM 368 C CB . ILE A 1 46 ? 14.015 -3.597 -4.697 1.00 72.33 46 A 1 ATOM 369 C CG1 . ILE A 1 46 ? 15.478 -3.136 -4.917 1.00 71.17 46 A 1 ATOM 370 C CG2 . ILE A 1 46 ? 13.703 -3.625 -3.189 1.00 66.16 46 A 1 ATOM 371 C CD1 . ILE A 1 46 ? 15.727 -1.666 -4.555 1.00 63.48 46 A 1 ATOM 372 N N . GLY A 1 47 ? 11.336 -5.202 -5.501 1.00 74.12 47 A 1 ATOM 373 C CA . GLY A 1 47 ? 10.016 -5.762 -5.214 1.00 72.44 47 A 1 ATOM 374 C C . GLY A 1 47 ? 9.948 -7.267 -5.479 1.00 72.90 47 A 1 ATOM 375 O O . GLY A 1 47 ? 9.512 -8.028 -4.612 1.00 70.00 47 A 1 ATOM 376 N N . LYS A 1 48 ? 10.467 -7.726 -6.627 1.00 73.71 48 A 1 ATOM 377 C CA . LYS A 1 48 ? 10.555 -9.154 -6.974 1.00 74.45 48 A 1 ATOM 378 C C . LYS A 1 48 ? 11.456 -9.929 -6.012 1.00 74.40 48 A 1 ATOM 379 O O . LYS A 1 48 ? 11.096 -11.023 -5.574 1.00 72.73 48 A 1 ATOM 380 C CB . LYS A 1 48 ? 11.060 -9.299 -8.417 1.00 74.25 48 A 1 ATOM 381 C CG . LYS A 1 48 ? 9.958 -8.945 -9.422 1.00 74.03 48 A 1 ATOM 382 C CD . LYS A 1 48 ? 10.518 -8.862 -10.847 1.00 70.94 48 A 1 ATOM 383 C CE . LYS A 1 48 ? 9.364 -8.545 -11.802 1.00 66.08 48 A 1 ATOM 384 N NZ . LYS A 1 48 ? 9.837 -8.064 -13.115 1.00 60.37 48 A 1 ATOM 385 N N . GLN A 1 49 ? 12.604 -9.360 -5.635 1.00 73.29 49 A 1 ATOM 386 C CA . GLN A 1 49 ? 13.527 -9.995 -4.692 1.00 73.10 49 A 1 ATOM 387 C C . GLN A 1 49 ? 12.920 -10.111 -3.286 1.00 72.51 49 A 1 ATOM 388 O O . GLN A 1 49 ? 13.058 -11.148 -2.633 1.00 70.30 49 A 1 ATOM 389 C CB . GLN A 1 49 ? 14.844 -9.207 -4.681 1.00 74.51 49 A 1 ATOM 390 C CG . GLN A 1 49 ? 15.953 -9.978 -3.950 1.00 71.52 49 A 1 ATOM 391 C CD . GLN A 1 49 ? 17.299 -9.259 -3.995 1.00 67.13 49 A 1 ATOM 392 O OE1 . GLN A 1 49 ? 17.417 -8.068 -4.226 1.00 65.57 49 A 1 ATOM 393 N NE2 . GLN A 1 49 ? 18.387 -9.955 -3.750 1.00 60.47 49 A 1 ATOM 394 N N . LEU A 1 50 ? 12.201 -9.078 -2.823 1.00 73.53 50 A 1 ATOM 395 C CA . LEU A 1 50 ? 11.475 -9.102 -1.556 1.00 71.88 50 A 1 ATOM 396 C C . LEU A 1 50 ? 10.327 -10.111 -1.580 1.00 71.00 50 A 1 ATOM 397 O O . LEU A 1 50 ? 10.158 -10.840 -0.605 1.00 67.01 50 A 1 ATOM 398 C CB . LEU A 1 50 ? 10.944 -7.695 -1.229 1.00 69.67 50 A 1 ATOM 399 C CG . LEU A 1 50 ? 12.020 -6.695 -0.768 1.00 62.38 50 A 1 ATOM 400 C CD1 . LEU A 1 50 ? 11.393 -5.305 -0.656 1.00 57.99 50 A 1 ATOM 401 C CD2 . LEU A 1 50 ? 12.604 -7.063 0.597 1.00 57.30 50 A 1 ATOM 402 N N . ALA A 1 51 ? 9.571 -10.195 -2.678 1.00 74.74 51 A 1 ATOM 403 C CA . ALA A 1 51 ? 8.507 -11.186 -2.829 1.00 74.25 51 A 1 ATOM 404 C C . ALA A 1 51 ? 9.056 -12.623 -2.769 1.00 74.40 51 A 1 ATOM 405 O O . ALA A 1 51 ? 8.512 -13.450 -2.040 1.00 71.04 51 A 1 ATOM 406 C CB . ALA A 1 51 ? 7.759 -10.913 -4.139 1.00 71.55 51 A 1 ATOM 407 N N . SER A 1 52 ? 10.179 -12.893 -3.455 1.00 77.98 52 A 1 ATOM 408 C CA . SER A 1 52 ? 10.851 -14.198 -3.414 1.00 78.48 52 A 1 ATOM 409 C C . SER A 1 52 ? 11.327 -14.559 -2.004 1.00 76.98 52 A 1 ATOM 410 O O . SER A 1 52 ? 11.045 -15.652 -1.522 1.00 75.48 52 A 1 ATOM 411 C CB . SER A 1 52 ? 12.033 -14.198 -4.387 1.00 79.08 52 A 1 ATOM 412 O OG . SER A 1 52 ? 12.653 -15.467 -4.454 1.00 70.79 52 A 1 ATOM 413 N N . ARG A 1 53 ? 11.980 -13.620 -1.299 1.00 72.91 53 A 1 ATOM 414 C CA . ARG A 1 53 ? 12.428 -13.857 0.085 1.00 70.73 53 A 1 ATOM 415 C C . ARG A 1 53 ? 11.269 -14.029 1.063 1.00 71.63 53 A 1 ATOM 416 O O . ARG A 1 53 ? 11.391 -14.790 2.018 1.00 70.19 53 A 1 ATOM 417 C CB . ARG A 1 53 ? 13.332 -12.718 0.559 1.00 71.90 53 A 1 ATOM 418 C CG . ARG A 1 53 ? 14.729 -12.818 -0.062 1.00 64.97 53 A 1 ATOM 419 C CD . ARG A 1 53 ? 15.686 -11.900 0.702 1.00 63.79 53 A 1 ATOM 420 N NE . ARG A 1 53 ? 17.065 -12.034 0.207 1.00 57.39 53 A 1 ATOM 421 C CZ . ARG A 1 53 ? 18.171 -11.774 0.884 1.00 51.82 53 A 1 ATOM 422 N NH1 . ARG A 1 53 ? 18.142 -11.323 2.110 1.00 48.79 53 A 1 ATOM 423 N NH2 . ARG A 1 53 ? 19.333 -11.965 0.331 1.00 46.62 53 A 1 ATOM 424 N N . ARG A 1 54 ? 10.147 -13.329 0.853 1.00 77.46 54 A 1 ATOM 425 C CA . ARG A 1 54 ? 8.935 -13.518 1.658 1.00 74.52 54 A 1 ATOM 426 C C . ARG A 1 54 ? 8.351 -14.914 1.464 1.00 76.19 54 A 1 ATOM 427 O O . ARG A 1 54 ? 7.984 -15.525 2.458 1.00 75.17 54 A 1 ATOM 428 C CB . ARG A 1 54 ? 7.889 -12.447 1.328 1.00 71.31 54 A 1 ATOM 429 C CG . ARG A 1 54 ? 8.204 -11.097 1.987 1.00 61.68 54 A 1 ATOM 430 C CD . ARG A 1 54 ? 7.193 -10.046 1.522 1.00 58.66 54 A 1 ATOM 431 N NE . ARG A 1 54 ? 7.458 -8.719 2.114 1.00 54.16 54 A 1 ATOM 432 C CZ . ARG A 1 54 ? 6.684 -7.648 2.016 1.00 48.73 54 A 1 ATOM 433 N NH1 . ARG A 1 54 ? 5.572 -7.660 1.338 1.00 46.67 54 A 1 ATOM 434 N NH2 . ARG A 1 54 ? 7.012 -6.530 2.612 1.00 45.17 54 A 1 ATOM 435 N N . ALA A 1 55 ? 8.301 -15.422 0.231 1.00 78.16 55 A 1 ATOM 436 C CA . ALA A 1 55 ? 7.836 -16.781 -0.039 1.00 78.45 55 A 1 ATOM 437 C C . ALA A 1 55 ? 8.725 -17.826 0.662 1.00 79.18 55 A 1 ATOM 438 O O . ALA A 1 55 ? 8.209 -18.679 1.377 1.00 78.36 55 A 1 ATOM 439 C CB . ALA A 1 55 ? 7.774 -16.990 -1.557 1.00 77.43 55 A 1 ATOM 440 N N . GLU A 1 56 ? 10.056 -17.682 0.557 1.00 78.83 56 A 1 ATOM 441 C CA . GLU A 1 56 ? 11.027 -18.562 1.229 1.00 79.43 56 A 1 ATOM 442 C C . GLU A 1 56 ? 10.878 -18.532 2.764 1.00 79.05 56 A 1 ATOM 443 O O . GLU A 1 56 ? 10.888 -19.569 3.425 1.00 78.63 56 A 1 ATOM 444 C CB . GLU A 1 56 ? 12.431 -18.109 0.787 1.00 80.77 56 A 1 ATOM 445 C CG . GLU A 1 56 ? 13.578 -19.035 1.224 1.00 74.31 56 A 1 ATOM 446 C CD . GLU A 1 56 ? 14.960 -18.526 0.746 1.00 74.78 56 A 1 ATOM 447 O OE1 . GLU A 1 56 ? 15.940 -19.297 0.833 1.00 68.58 56 A 1 ATOM 448 O OE2 . GLU A 1 56 ? 15.067 -17.346 0.318 1.00 71.78 56 A 1 ATOM 449 N N . LEU A 1 57 ? 10.669 -17.349 3.356 1.00 79.57 57 A 1 ATOM 450 C CA . LEU A 1 57 ? 10.424 -17.221 4.797 1.00 77.41 57 A 1 ATOM 451 C C . LEU A 1 57 ? 9.113 -17.882 5.235 1.00 77.23 57 A 1 ATOM 452 O O . LEU A 1 57 ? 9.066 -18.452 6.325 1.00 76.70 57 A 1 ATOM 453 C CB . LEU A 1 57 ? 10.425 -15.737 5.198 1.00 76.26 57 A 1 ATOM 454 C CG . LEU A 1 57 ? 11.829 -15.116 5.306 1.00 66.62 57 A 1 ATOM 455 C CD1 . LEU A 1 57 ? 11.700 -13.595 5.446 1.00 61.35 57 A 1 ATOM 456 C CD2 . LEU A 1 57 ? 12.602 -15.636 6.517 1.00 62.45 57 A 1 ATOM 457 N N . ILE A 1 58 ? 8.058 -17.802 4.418 1.00 78.37 58 A 1 ATOM 458 C CA . ILE A 1 58 ? 6.778 -18.460 4.696 1.00 77.07 58 A 1 ATOM 459 C C . ILE A 1 58 ? 6.959 -19.980 4.693 1.00 77.68 58 A 1 ATOM 460 O O . ILE A 1 58 ? 6.530 -20.619 5.652 1.00 76.70 58 A 1 ATOM 461 C CB . ILE A 1 58 ? 5.687 -17.981 3.710 1.00 75.18 58 A 1 ATOM 462 C CG1 . ILE A 1 58 ? 5.308 -16.511 4.018 1.00 70.03 58 A 1 ATOM 463 C CG2 . ILE A 1 58 ? 4.426 -18.864 3.789 1.00 69.22 58 A 1 ATOM 464 C CD1 . ILE A 1 58 ? 4.547 -15.822 2.876 1.00 65.67 58 A 1 ATOM 465 N N . GLU A 1 59 ? 7.655 -20.542 3.697 1.00 79.75 59 A 1 ATOM 466 C CA . GLU A 1 59 ? 7.947 -21.984 3.644 1.00 80.27 59 A 1 ATOM 467 C C . GLU A 1 59 ? 8.726 -22.451 4.885 1.00 80.77 59 A 1 ATOM 468 O O . GLU A 1 59 ? 8.329 -23.407 5.549 1.00 80.87 59 A 1 ATOM 469 C CB . GLU A 1 59 ? 8.728 -22.326 2.361 1.00 80.50 59 A 1 ATOM 470 C CG . GLU A 1 59 ? 7.846 -22.281 1.101 1.00 73.33 59 A 1 ATOM 471 C CD . GLU A 1 59 ? 8.598 -22.629 -0.201 1.00 73.77 59 A 1 ATOM 472 O OE1 . GLU A 1 59 ? 7.913 -22.722 -1.251 1.00 67.25 59 A 1 ATOM 473 O OE2 . GLU A 1 59 ? 9.841 -22.774 -0.178 1.00 69.09 59 A 1 ATOM 474 N N . ILE A 1 60 ? 9.781 -21.720 5.278 1.00 80.33 60 A 1 ATOM 475 C CA . ILE A 1 60 ? 10.572 -22.036 6.481 1.00 79.53 60 A 1 ATOM 476 C C . ILE A 1 60 ? 9.705 -21.981 7.751 1.00 78.91 60 A 1 ATOM 477 O O . ILE A 1 60 ? 9.844 -22.822 8.644 1.00 78.14 60 A 1 ATOM 478 C CB . ILE A 1 60 ? 11.785 -21.079 6.588 1.00 81.27 60 A 1 ATOM 479 C CG1 . ILE A 1 60 ? 12.795 -21.348 5.446 1.00 79.59 60 A 1 ATOM 480 C CG2 . ILE A 1 60 ? 12.504 -21.216 7.948 1.00 79.72 60 A 1 ATOM 481 C CD1 . ILE A 1 60 ? 13.832 -20.229 5.260 1.00 77.36 60 A 1 ATOM 482 N N . LEU A 1 61 ? 8.809 -20.994 7.865 1.00 79.02 61 A 1 ATOM 483 C CA . LEU A 1 61 ? 7.914 -20.859 9.016 1.00 76.61 61 A 1 ATOM 484 C C . LEU A 1 61 ? 6.854 -21.966 9.055 1.00 77.20 61 A 1 ATOM 485 O O . LEU A 1 61 ? 6.548 -22.462 10.140 1.00 76.48 61 A 1 ATOM 486 C CB . LEU A 1 61 ? 7.257 -19.469 9.002 1.00 74.70 61 A 1 ATOM 487 C CG . LEU A 1 61 ? 8.199 -18.325 9.427 1.00 66.55 61 A 1 ATOM 488 C CD1 . LEU A 1 61 ? 7.538 -16.977 9.125 1.00 61.73 61 A 1 ATOM 489 C CD2 . LEU A 1 61 ? 8.523 -18.365 10.923 1.00 61.90 61 A 1 ATOM 490 N N . GLU A 1 62 ? 6.324 -22.381 7.906 1.00 77.74 62 A 1 ATOM 491 C CA . GLU A 1 62 ? 5.380 -23.502 7.804 1.00 78.08 62 A 1 ATOM 492 C C . GLU A 1 62 ? 6.033 -24.841 8.169 1.00 79.56 62 A 1 ATOM 493 O O . GLU A 1 62 ? 5.414 -25.650 8.866 1.00 78.69 62 A 1 ATOM 494 C CB . GLU A 1 62 ? 4.776 -23.566 6.393 1.00 76.01 62 A 1 ATOM 495 C CG . GLU A 1 62 ? 3.707 -22.481 6.183 1.00 67.83 62 A 1 ATOM 496 C CD . GLU A 1 62 ? 2.995 -22.559 4.823 1.00 66.33 62 A 1 ATOM 497 O OE1 . GLU A 1 62 ? 2.003 -21.799 4.669 1.00 60.35 62 A 1 ATOM 498 O OE2 . GLU A 1 62 ? 3.388 -23.382 3.968 1.00 59.94 62 A 1 ATOM 499 N N . GLU A 1 63 ? 7.304 -25.055 7.780 1.00 80.83 63 A 1 ATOM 500 C CA . GLU A 1 63 ? 8.068 -26.246 8.172 1.00 81.17 63 A 1 ATOM 501 C C . GLU A 1 63 ? 8.359 -26.287 9.680 1.00 80.66 63 A 1 ATOM 502 O O . GLU A 1 63 ? 8.263 -27.344 10.307 1.00 79.57 63 A 1 ATOM 503 C CB . GLU A 1 63 ? 9.399 -26.312 7.408 1.00 81.97 63 A 1 ATOM 504 C CG . GLU A 1 63 ? 9.249 -26.794 5.957 1.00 75.53 63 A 1 ATOM 505 C CD . GLU A 1 63 ? 10.609 -27.031 5.262 1.00 74.15 63 A 1 ATOM 506 O OE1 . GLU A 1 63 ? 10.595 -27.664 4.180 1.00 67.82 63 A 1 ATOM 507 O OE2 . GLU A 1 63 ? 11.662 -26.663 5.835 1.00 69.84 63 A 1 ATOM 508 N N . GLN A 1 64 ? 8.714 -25.138 10.287 1.00 78.89 64 A 1 ATOM 509 C CA . GLN A 1 64 ? 9.070 -25.068 11.711 1.00 77.96 64 A 1 ATOM 510 C C . GLN A 1 64 ? 7.851 -25.037 12.639 1.00 77.31 64 A 1 ATOM 511 O O . GLN A 1 64 ? 7.928 -25.532 13.769 1.00 76.11 64 A 1 ATOM 512 C CB . GLN A 1 64 ? 9.971 -23.850 11.963 1.00 78.89 64 A 1 ATOM 513 C CG . GLN A 1 64 ? 11.373 -24.058 11.368 1.00 73.98 64 A 1 ATOM 514 C CD . GLN A 1 64 ? 12.350 -22.935 11.694 1.00 71.21 64 A 1 ATOM 515 O OE1 . GLN A 1 64 ? 12.101 -22.004 12.449 1.00 68.14 64 A 1 ATOM 516 N NE2 . GLN A 1 64 ? 13.553 -22.999 11.159 1.00 63.44 64 A 1 ATOM 517 N N . TYR A 1 65 ? 6.724 -24.474 12.185 1.00 79.77 65 A 1 ATOM 518 C CA . TYR A 1 65 ? 5.509 -24.283 12.980 1.00 77.57 65 A 1 ATOM 519 C C . TYR A 1 65 ? 4.239 -24.668 12.201 1.00 77.22 65 A 1 ATOM 520 O O . TYR A 1 65 ? 3.404 -23.804 11.903 1.00 75.35 65 A 1 ATOM 521 C CB . TYR A 1 65 ? 5.458 -22.837 13.501 1.00 76.44 65 A 1 ATOM 522 C CG . TYR A 1 65 ? 6.648 -22.439 14.359 1.00 71.65 65 A 1 ATOM 523 C CD1 . TYR A 1 65 ? 6.695 -22.808 15.717 1.00 68.12 65 A 1 ATOM 524 C CD2 . TYR A 1 65 ? 7.719 -21.728 13.785 1.00 67.08 65 A 1 ATOM 525 C CE1 . TYR A 1 65 ? 7.812 -22.466 16.507 1.00 64.05 65 A 1 ATOM 526 C CE2 . TYR A 1 65 ? 8.840 -21.388 14.567 1.00 63.58 65 A 1 ATOM 527 C CZ . TYR A 1 65 ? 8.885 -21.757 15.928 1.00 64.09 65 A 1 ATOM 528 O OH . TYR A 1 65 ? 9.971 -21.430 16.681 1.00 62.69 65 A 1 ATOM 529 N N . PRO A 1 66 ? 4.041 -25.964 11.890 1.00 77.60 66 A 1 ATOM 530 C CA . PRO A 1 66 ? 2.879 -26.412 11.137 1.00 76.39 66 A 1 ATOM 531 C C . PRO A 1 66 ? 1.580 -26.070 11.884 1.00 73.71 66 A 1 ATOM 532 O O . PRO A 1 66 ? 1.371 -26.477 13.030 1.00 68.29 66 A 1 ATOM 533 C CB . PRO A 1 66 ? 3.082 -27.921 10.924 1.00 75.39 66 A 1 ATOM 534 C CG . PRO A 1 66 ? 4.030 -28.336 12.049 1.00 74.98 66 A 1 ATOM 535 C CD . PRO A 1 66 ? 4.889 -27.091 12.256 1.00 79.19 66 A 1 ATOM 536 N N . GLY A 1 67 ? 0.695 -25.302 11.228 1.00 70.24 67 A 1 ATOM 537 C CA . GLY A 1 67 ? -0.627 -24.915 11.744 1.00 67.47 67 A 1 ATOM 538 C C . GLY A 1 67 ? -0.721 -23.527 12.394 1.00 66.07 67 A 1 ATOM 539 O O . GLY A 1 67 ? -1.832 -23.106 12.723 1.00 62.19 67 A 1 ATOM 540 N N . HIS A 1 68 ? 0.396 -22.776 12.528 1.00 57.77 68 A 1 ATOM 541 C CA . HIS A 1 68 ? 0.386 -21.394 13.043 1.00 57.22 68 A 1 ATOM 542 C C . HIS A 1 68 ? 0.491 -20.306 11.955 1.00 56.13 68 A 1 ATOM 543 O O . HIS A 1 68 ? 0.380 -19.118 12.267 1.00 53.72 68 A 1 ATOM 544 C CB . HIS A 1 68 ? 1.449 -21.243 14.139 1.00 54.75 68 A 1 ATOM 545 C CG . HIS A 1 68 ? 1.067 -21.952 15.416 1.00 51.09 68 A 1 ATOM 546 N ND1 . HIS A 1 68 ? -0.015 -21.648 16.209 1.00 48.08 68 A 1 ATOM 547 C CD2 . HIS A 1 68 ? 1.713 -23.005 16.006 1.00 46.30 68 A 1 ATOM 548 C CE1 . HIS A 1 68 ? -0.020 -22.495 17.250 1.00 45.70 68 A 1 ATOM 549 N NE2 . HIS A 1 68 ? 1.017 -23.342 17.174 1.00 44.84 68 A 1 ATOM 550 N N . ALA A 1 69 ? 0.620 -20.687 10.684 1.00 53.32 69 A 1 ATOM 551 C CA . ALA A 1 69 ? 0.706 -19.744 9.560 1.00 52.34 69 A 1 ATOM 552 C C . ALA A 1 69 ? -0.554 -18.870 9.372 1.00 52.08 69 A 1 ATOM 553 O O . ALA A 1 69 ? -0.473 -17.778 8.812 1.00 50.01 69 A 1 ATOM 554 C CB . ALA A 1 69 ? 1.018 -20.554 8.295 1.00 49.61 69 A 1 ATOM 555 N N . ALA A 1 70 ? -1.717 -19.300 9.885 1.00 51.71 70 A 1 ATOM 556 C CA . ALA A 1 70 ? -2.975 -18.554 9.766 1.00 51.84 70 A 1 ATOM 557 C C . ALA A 1 70 ? -3.012 -17.246 10.589 1.00 52.72 70 A 1 ATOM 558 O O . ALA A 1 70 ? -3.807 -16.359 10.280 1.00 50.19 70 A 1 ATOM 559 C CB . ALA A 1 70 ? -4.121 -19.497 10.152 1.00 49.12 70 A 1 ATOM 560 N N . ASP A 1 71 ? -2.165 -17.103 11.615 1.00 50.70 71 A 1 ATOM 561 C CA . ASP A 1 71 ? -2.169 -15.944 12.525 1.00 51.84 71 A 1 ATOM 562 C C . ASP A 1 71 ? -1.131 -14.868 12.146 1.00 51.75 71 A 1 ATOM 563 O O . ASP A 1 71 ? -1.203 -13.717 12.584 1.00 50.13 71 A 1 ATOM 564 C CB . ASP A 1 71 ? -2.006 -16.449 13.972 1.00 50.48 71 A 1 ATOM 565 C CG . ASP A 1 71 ? -2.949 -15.785 14.988 1.00 46.11 71 A 1 ATOM 566 O OD1 . ASP A 1 71 ? -3.877 -15.057 14.577 1.00 43.54 71 A 1 ATOM 567 O OD2 . ASP A 1 71 ? -2.755 -16.062 16.194 1.00 42.70 71 A 1 ATOM 568 N N . LEU A 1 72 ? -0.193 -15.208 11.256 1.00 49.35 72 A 1 ATOM 569 C CA . LEU A 1 72 ? 0.694 -14.239 10.610 1.00 49.82 72 A 1 ATOM 570 C C . LEU A 1 72 ? -0.044 -13.581 9.440 1.00 49.67 72 A 1 ATOM 571 O O . LEU A 1 72 ? 0.283 -13.760 8.271 1.00 48.17 72 A 1 ATOM 572 C CB . LEU A 1 72 ? 2.022 -14.918 10.211 1.00 47.98 72 A 1 ATOM 573 C CG . LEU A 1 72 ? 2.942 -15.197 11.412 1.00 45.12 72 A 1 ATOM 574 C CD1 . LEU A 1 72 ? 4.029 -16.191 11.006 1.00 42.68 72 A 1 ATOM 575 C CD2 . LEU A 1 72 ? 3.633 -13.924 11.908 1.00 41.55 72 A 1 ATOM 576 N N . SER A 1 73 ? -1.063 -12.797 9.771 1.00 43.57 73 A 1 ATOM 577 C CA . SER A 1 73 ? -1.733 -11.906 8.828 1.00 44.35 73 A 1 ATOM 578 C C . SER A 1 73 ? -0.679 -11.018 8.161 1.00 44.68 73 A 1 ATOM 579 O O . SER A 1 73 ? -0.224 -10.018 8.720 1.00 43.19 73 A 1 ATOM 580 C CB . SER A 1 73 ? -2.803 -11.087 9.566 1.00 42.19 73 A 1 ATOM 581 O OG . SER A 1 73 ? -3.404 -10.140 8.706 1.00 37.70 73 A 1 ATOM 582 N N . ILE A 1 74 ? -0.306 -11.386 6.935 1.00 46.03 74 A 1 ATOM 583 C CA . ILE A 1 74 ? 0.688 -10.724 6.070 1.00 46.15 74 A 1 ATOM 584 C C . ILE A 1 74 ? 0.362 -9.229 5.876 1.00 45.49 74 A 1 ATOM 585 O O . ILE A 1 74 ? 1.236 -8.432 5.531 1.00 44.03 74 A 1 ATOM 586 C CB . ILE A 1 74 ? 0.762 -11.506 4.732 1.00 45.02 74 A 1 ATOM 587 C CG1 . ILE A 1 74 ? 1.291 -12.950 4.970 1.00 42.17 74 A 1 ATOM 588 C CG2 . ILE A 1 74 ? 1.638 -10.807 3.674 1.00 41.07 74 A 1 ATOM 589 C CD1 . ILE A 1 74 ? 1.094 -13.901 3.779 1.00 39.10 74 A 1 ATOM 590 N N . LYS A 1 75 ? -0.868 -8.811 6.205 1.00 40.19 75 A 1 ATOM 591 C CA . LYS A 1 75 ? -1.297 -7.404 6.214 1.00 40.77 75 A 1 ATOM 592 C C . LYS A 1 75 ? -0.515 -6.515 7.190 1.00 40.47 75 A 1 ATOM 593 O O . LYS A 1 75 ? -0.458 -5.314 6.962 1.00 38.67 75 A 1 ATOM 594 C CB . LYS A 1 75 ? -2.801 -7.323 6.508 1.00 39.20 75 A 1 ATOM 595 C CG . LYS A 1 75 ? -3.641 -7.864 5.341 1.00 35.85 75 A 1 ATOM 596 C CD . LYS A 1 75 ? -5.136 -7.666 5.613 1.00 34.01 75 A 1 ATOM 597 C CE . LYS A 1 75 ? -5.953 -8.125 4.404 1.00 31.08 75 A 1 ATOM 598 N NZ . LYS A 1 75 ? -7.409 -7.943 4.628 1.00 28.69 75 A 1 ATOM 599 N N . ASN A 1 76 ? 0.110 -7.078 8.229 1.00 41.63 76 A 1 ATOM 600 C CA . ASN A 1 76 ? 0.866 -6.307 9.227 1.00 42.00 76 A 1 ATOM 601 C C . ASN A 1 76 ? 2.383 -6.237 8.963 1.00 41.75 76 A 1 ATOM 602 O O . ASN A 1 76 ? 3.101 -5.599 9.727 1.00 40.24 76 A 1 ATOM 603 C CB . ASN A 1 76 ? 0.542 -6.854 10.627 1.00 39.92 76 A 1 ATOM 604 C CG . ASN A 1 76 ? -0.875 -6.545 11.079 1.00 36.36 76 A 1 ATOM 605 O OD1 . ASN A 1 76 ? -1.574 -5.691 10.558 1.00 33.57 76 A 1 ATOM 606 N ND2 . ASN A 1 76 ? -1.347 -7.226 12.095 1.00 32.74 76 A 1 ATOM 607 N N . LEU A 1 77 ? 2.882 -6.878 7.896 1.00 43.13 77 A 1 ATOM 608 C CA . LEU A 1 77 ? 4.309 -6.911 7.534 1.00 43.48 77 A 1 ATOM 609 C C . LEU A 1 77 ? 4.667 -6.021 6.331 1.00 41.93 77 A 1 ATOM 610 O O . LEU A 1 77 ? 5.807 -6.040 5.868 1.00 40.12 77 A 1 ATOM 611 C CB . LEU A 1 77 ? 4.742 -8.375 7.340 1.00 42.02 77 A 1 ATOM 612 C CG . LEU A 1 77 ? 4.914 -9.154 8.658 1.00 40.27 77 A 1 ATOM 613 C CD1 . LEU A 1 77 ? 4.988 -10.651 8.363 1.00 38.08 77 A 1 ATOM 614 C CD2 . LEU A 1 77 ? 6.203 -8.751 9.386 1.00 37.27 77 A 1 ATOM 615 N N . CYS A 1 78 ? 3.702 -5.237 5.826 1.00 38.90 78 A 1 ATOM 616 C CA . CYS A 1 78 ? 3.979 -4.136 4.901 1.00 39.89 78 A 1 ATOM 617 C C . CYS A 1 78 ? 4.060 -2.826 5.703 1.00 40.02 78 A 1 ATOM 618 O O . CYS A 1 78 ? 3.063 -2.477 6.333 1.00 37.89 78 A 1 ATOM 619 C CB . CYS A 1 78 ? 2.891 -4.067 3.816 1.00 37.95 78 A 1 ATOM 620 S SG . CYS A 1 78 ? 3.209 -5.316 2.538 1.00 33.45 78 A 1 ATOM 621 N N . PRO A 1 79 ? 5.219 -2.132 5.698 1.00 39.55 79 A 1 ATOM 622 C CA . PRO A 1 79 ? 5.234 -0.715 6.050 1.00 39.68 79 A 1 ATOM 623 C C . PRO A 1 79 ? 4.414 0.105 5.048 1.00 38.24 79 A 1 ATOM 624 O O . PRO A 1 79 ? 4.342 -0.292 3.861 1.00 35.81 79 A 1 ATOM 625 C CB . PRO A 1 79 ? 6.709 -0.305 6.080 1.00 38.26 79 A 1 ATOM 626 C CG . PRO A 1 79 ? 7.341 -1.235 5.051 1.00 36.65 79 A 1 ATOM 627 C CD . PRO A 1 79 ? 6.510 -2.516 5.160 1.00 39.26 79 A 1 ATOM 628 O OXT . PRO A 1 79 ? 3.899 1.155 5.511 1.00 36.51 79 A 1 #